diff --git a/JSSPP/adag1-resuse-async.pdf b/JSSPP/adag1-resuse-async.pdf deleted file mode 100644 index 3064bc0..0000000 Binary files a/JSSPP/adag1-resuse-async.pdf and /dev/null differ diff --git a/JSSPP/adag1-resuse-seq.pdf b/JSSPP/adag1-resuse-seq.pdf deleted file mode 100644 index 6a74634..0000000 Binary files a/JSSPP/adag1-resuse-seq.pdf and /dev/null differ diff --git a/JSSPP/adag2-resuse-async.pdf b/JSSPP/adag2-resuse-async.pdf deleted file mode 100644 index 219b312..0000000 Binary files a/JSSPP/adag2-resuse-async.pdf and /dev/null differ diff --git a/JSSPP/adag2-resuse-seq-annotated.pdf b/JSSPP/adag2-resuse-seq-annotated.pdf deleted file mode 100644 index e95b580..0000000 Binary files a/JSSPP/adag2-resuse-seq-annotated.pdf and /dev/null differ diff --git a/JSSPP/adag2-resuse-seq.pdf b/JSSPP/adag2-resuse-seq.pdf deleted file mode 100644 index 907257f..0000000 Binary files a/JSSPP/adag2-resuse-seq.pdf and /dev/null differ diff --git a/JSSPP/concurrency-summit.ipynb b/JSSPP/concurrency-summit.ipynb deleted file mode 100644 index 8a47f73..0000000 --- a/JSSPP/concurrency-summit.ipynb +++ /dev/null @@ -1,521 +0,0 @@ -{ - "cells": [ - { - "cell_type": "code", - "execution_count": 6, - "metadata": {}, - "outputs": [], - "source": [ - "import os\n", - "import tarfile\n", - "import numpy\n", - "\n", - "import pandas as pd\n", - "import matplotlib as mpl\n", - "import matplotlib.pyplot as plt\n", - "import matplotlib.ticker as mticker\n", - "\n", - "import radical.utils as ru\n", - "import radical.pilot as rp\n", - "import radical.entk as re\n", - "import radical.analytics as ra\n", - "\n", - "import itertools\n", - "colors = itertools.cycle(['tab:blue', 'tab:orange'])\n", - "\n", - "plt.style.use(ra.get_mplstyle('radical_mpl'))" - ] - }, - { - "cell_type": "code", - "execution_count": 7, - "metadata": {}, - "outputs": [ - { - "data": { - "text/html": [ - "" - ], - "text/plain": [ - "" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "from IPython.display import display, HTML\n", - "display(HTML(\"\"))\n", - "\n", - "%matplotlib inline\n", - "mpl.rcParams['figure.dpi']= 600" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": { - "scrolled": true - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\r\n", - " python : /Users/vincentpascuzzi/sw/miniconda3/envs/rct/bin/python3\r\n", - " pythonpath : \r\n", - " version : 3.8.12\r\n", - " virtualenv : rct\r\n", - "\r\n", - " radical.analytics : 1.6.7\r\n", - " radical.entk : 1.11.0\r\n", - " radical.gtod : 1.6.7\r\n", - " radical.pilot : 1.9.2\r\n", - " radical.saga : 1.11.1\r\n", - " radical.utils : 1.11.0\r\n", - "\r\n" - ] - } - ], - "source": [ - "# Should use:\n", - "# version : 3.8.12\n", - "# virtualenv : /ccs/home/pascuzzi/conda\n", - "#\n", - "# radical.analytics : 1.6.7\n", - "# radical.entk : 1.11.0\n", - "# radical.gtod : 1.6.7\n", - "# radical.pilot : 1.9.2\n", - "# radical.saga : 1.11.1\n", - "# radical.utils : 1.11.0\n", - "\n", - "! radical-stack" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "metadata": {}, - "outputs": [], - "source": [ - "## Weak Scaling" - ] - }, - { - "cell_type": "code", - "execution_count": 10, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019207.0006/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login5.pascuzzi.019174.0005/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019207.0007/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_reschedule_pubsub.prof\" not correctly closed.\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/re.session.login2.pascuzzi.019217.0002/tmgr_reschedule_pubsub.prof\" not correctly closed.\n" - ] - } - ], - "source": [ - "os.environ['RADICAL_PILOT_DBURL'] = 'mongodb://pascuzzi:slriUTnc7NrM8o5t@95.217.193.116/lavinlie'\n", - "\n", - "sids = ['re.session.login3.pascuzzi.019079.0001',\n", - " 're.session.login3.pascuzzi.019079.0002',\n", - " 're.session.login3.pascuzzi.019079.0001',\n", - " 're.session.login3.pascuzzi.019079.0001']\n", - "# sdir = 'summit/'\n", - "\n", - "\n", - "sids = ['re.session.login2.pascuzzi.019124.0001',\n", - " 're.session.login1.pascuzzi.019135.0002',\n", - " 're.session.login2.pascuzzi.019143.0005',\n", - " 're.session.login3.pascuzzi.019145.0000']\n", - "\n", - "\n", - "sids = ['re.session.login5.pascuzzi.019207.0006',\n", - " 're.session.login5.pascuzzi.019174.0005',\n", - " 're.session.login2.pascuzzi.019207.0007',\n", - " 're.session.login2.pascuzzi.019217.0002']\n", - "sdir = 'summit/ddmd-mock/'\n", - "sessions = [sdir+s for s in sids]\n", - "\n", - "for sid in sids:\n", - " sp = sdir+sid+'.tgz'\n", - " tar = tarfile.open(sp, mode='r:gz')\n", - " tar.extractall(path=sdir)\n", - " tar.close()\n", - "\n", - "ss = {}\n", - "for sid in sids:\n", - " sp = sdir+sid\n", - " ss[sid] = {'s': ra.Session(sp, 'radical.pilot')}\n", - " ss[sid].update({'p': ss[sid]['s'].filter(etype='pilot', inplace=False),\n", - " 't': ss[sid]['s'].filter(etype='task' , inplace=False)})\n", - "\n", - "for sid in sids:\n", - " ss[sid].update({'cores_node': ss[sid]['s'].get(etype='pilot')[0].cfg['resource_details']['rm_info']['cores_per_node'],\n", - " 'pid' : ss[sid]['p'].list('uid'),\n", - " 'ntask' : len(ss[sid]['t'].get())\n", - " })\n", - "\n", - " ss[sid].update({'ncores' : ss[sid]['p'].get(uid=ss[sid]['pid'])[0].description['cores'],\n", - " 'ngpus' : ss[sid]['p'].get(uid=ss[sid]['pid'])[0].description['gpus']\n", - " })\n", - "\n", - " ss[sid].update({'nnodes' : int(ss[sid]['ncores']/ss[sid]['cores_node'])})" - ] - }, - { - "cell_type": "code", - "execution_count": 11, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "{'re.session.login5.pascuzzi.019207.0006': {'s': , 'p': , 't': , 'cores_node': 168, 'pid': ['pilot.0000'], 'ntask': 621, 'ncores': 2688, 'ngpus': 96, 'nnodes': 16}, 're.session.login5.pascuzzi.019174.0005': {'s': , 'p': , 't': , 'cores_node': 168, 'pid': ['pilot.0000'], 'ntask': 591, 'ncores': 2688, 'ngpus': 96, 'nnodes': 16}, 're.session.login2.pascuzzi.019207.0007': {'s': , 'p': , 't': , 'cores_node': 168, 'pid': ['pilot.0000'], 'ntask': 621, 'ncores': 2688, 'ngpus': 96, 'nnodes': 16}, 're.session.login2.pascuzzi.019217.0002': {'s': , 'p': , 't': , 'cores_node': 168, 'pid': ['pilot.0000'], 'ntask': 280, 'ncores': 768, 'ngpus': 96, 'nnodes': 4}}\n" - ] - }, - { - "data": { - "text/plain": [ - "Text(0.5, -0.3, 'Time (s)')" - ] - }, - "execution_count": 11, - "metadata": {}, - "output_type": "execute_result" - }, - { - "data": { - "image/png": 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PRDPF4sd7mL/oTs75Mydc/qXW89UTzg8wOo4LrPnMfzexATO1IQUO1HcEzIyc4/r9L73YHjDTmIxwrNr28EI2tgQrjZ7jAmu+/KsTGzBTG1KgGAAAABCxuiZgBgAAAKbRmoAZAACAM6m65hkAAGiZKbuAMfNYNANi3jrh/NeiGUgTEVFpvb510o3lnN9svVw5cYUAlG5TwAxTprY1vIAZ/X4CTEiwUkTE5rb+CAAAAMPy+vpm2SUAAAAAJdioHQ6YaUzQtQcAAACDVt0SMAMAADQJmOnNUkRsnGTGlNK3dnnrpR63udHaLtCrSqXsCujFhHzo32g0orY9nLCNLUEbE2Ay+n1tSKFKERFbOx22ZX9PSTal+QMAAMDQvLZWK7sEAAAAoARrte2ySwAAABhrb99zzTMAANAkYKZ3ayec77Eu7bf6VQgAo6e+uxe7e8MJDanvdgqYEbQx2ibz51MbYshGXbASI6S6NbxwJQAAAJh2qwJmAAAAYCqtV+tllwAAADC2dnb33NwYAAB4h4CZ3mz0MO8jnZbPOb/V4zaXetwuACXarA8vbEDQBqOiNsR+7+T2OJrMYKWIiM1tATMAAAAwDI1GI15f3yy7DAAAAKAEawJmAAAATs0NNQEAgIMEzPRmLSKunHDeqwdeVyKiERGf6mVjKaUPtF7e6WU5gPEwmYED1SEHzFSiMbTtMQCNyfj51eo7Q9uWYKVJMBn9PmK4oWIAAAAwzX7nbl3QKwAAAEyp9ZqAGQAAgNN6e2u77BIAAIARImCmN3fi5AEz1+Lw6NnbPW7v6dY6bvW4HEwdIRuTYDJ+hpvDDNrYFbQxdiqTGaxUE6zElDKwDQAAAIbjtbVa2SUAAAAAJREwAwAAcHrVLdc7AwAA9wmY6c3tiIiU0h8+aqaU0uNd3nqpx+091Xp+vsflACjJsIM2YBQMs99v7TjBDQAAADBtXl/vHjDTkEUMAAAAE2uzvhv3tl0jBQAAcFp3t7bLLgEAABghAmZ681JEVCLixjHzPR8Rhy5nzTn/9Ek3lFL62xGxFBG3cs6fP3mJAJRJwAxHqxSmJ2P0S62+M7Rt6fcAAAAA02d1rXvADAAAADC51mr1sksAAAAYa3e33OAVAAC4T8BMD3LOn4yIjYh4IqX0XZ3mSSl9NCKuHGiqRHP0+HMn3U5rHU9FxHpEPHnaegEYvs0hBszs7E1GOAnjb6jBSrsCZsZOpRCs5LbiAAAAQI9W1zbLLgEAAAAowXpVwAwAAMBZVLeGdzNZAABg9J0vu4Ax9LHW42ZK6ZmI+HjO+a2U0oMR8Ww0g2GKo2Y3IuKjx604pfTBiPh4RFxtreMjOee3+lc6wAgpBg5MiGEGbTABJiRnY5jBSlvbAmYYDXtCvgAAAGBoXlurlV0CAAAAUII1ATMAAABncveegBkAAOC+mbILGDc55+ci4tMRUYmI5yJiPaW0GxHr0QyXOZiYUIkTBMWklD6YUvrhiHglmuEyldbjYymlBwbyhQCMmsZkDNSv1Us++TahwT0TY0J/PsMMVqrvCphhNNzbESgGAAAAw7K6LmAGAAAAptF6TcAMAADAWdzdEjADAADcd77sAsbU49EMg/lAh/eKCQnP5Zx/ojhTSumDEfF0RHw4IpZazfuBNPvr+PqIeDWl9GjO+TfPXjYAgzbMoI2I9lQzKMvm9vD6/da2gBlGw7D39wAAADCtdnb34ktv3iu7DAAAAKAE61UBMwAAAGdRFTADAAAcMFN2AeMo57yRc34kIj7e4e1K6/FmRDyZc/7+Lqv56Yh4KiKWDyxzcPn96ZWIuNWn0mFiVYrRTlASgQP0Zvx3Xrt7w/0atnYFzIyfyYzC2rS/BwAAgKH40pv3hn4OCgAAABgNa7XtsksAAAAYa3cFzAAAAAecL7uAcZZzfjql9ExEfDgiHo1mGMydiHg55/yJYxb/WEQ8dsJNvXz6KgEYps26k29Ml9qQ+3x9Zy8qExDMM90m4+cnUAwAAACG47W12pHvNybkXAMAAABw2Hq1XnYJAAAAY03ADAAAcJCAmTPKOb8ZER9vPXpZ7rnBVAQwLiplFzAQAgeYNptD7vNbO37HGA3DDlcCAACAabV6TMAMAAAAMLnWagJmAAAAzqIqYAYAADhgpuwCAKBpMu4yW9sWfkEPGuPf74cdqlTf2Rvq9qAbgWIAAAAwHKvrAmYAAABgWq1XBcwAAACcxV0BMwAAwAECZoDJVamUXQFTaFPgAEeZwP1StT7cE84dA2Ym8Ps6USb05yNgBgAAAIZjdW2z7BIAAACAkqzXtssuAQAAYKwJmAEAAA46X3YBdJZS+taI+FRENHLOfk4AY6I2pLCNRqMxlO3AcYYdqrTVKWCG8TIh+69h7e8BAABg2r22Viu7BAAAAKAk69V62SUAAACMteqWm2oCAAD3CS7pUSv45fGIuJ1z/ukBbmolIioRsTHAbQDQZ7UhhW1s7+4HNExGUMP0Gv+fX3XIATP1nb3mf0hQsm7hSo1GIyoVnRQAAAD65fV1ATMAAAAwjRqNRqzVBMwAAACcxd0tN9UEAADumym7gDF0LSKejYhnBrydq63ntQFvB6AcEzr4flgBM/XdvS7vTOb3dXJM3s9nsz7cE85bOxLUGQ3D2t8DAADANKvVd+J37h49kKwx/hnOAAAAQAe1+m7zRkQAAACcmoAZAADgIAEzvduI5ujwbxvwdp4e8PphwriCfOxNyCiAoQXMuHiCEVHdGm7Ixl5jEmN6GEeb2wJmAAAAYNBeX98suwQAAACgJGvVo0NnAQAAON7dewJmAACA+wTM9G6t9byUUvq6QWwgpfTRiLgyiHUDMFib9eGcfBMww6ioCdngWJMZCVSV5g8AAAAD99obtbbpd1+6EBdnfbwJAAAA02C9JmAGAADgLHb3Gm6qCQAAtHEF5tk81e8VtsJlbkREo9/rBmDwavXhnHwTMMOoqA0xZKPR8O8Ro2NY+3sAAACYZqvr7QEzl1fmS6oEAAAAGLb12nbZJQAAAIy16pBuoAwAAIwPATOnV4mIGymlB/u1wpTSj0XEM/1aH1ApuwCONJk/n81hBczsNrczmd/FKTIBgSnDDNnY2ev2/fKbwPANa38PAAAA02x1bbNt+uGVhZIqAQAAAIZtvVovuwQAAICxdveegBkAAKDd+bILGGP7I5y/LyL+8llWlFL6uoh4KSKuRHOE9PiPNgeYQo1GI2rbwwkc2NrZ6/xGRdDGSJvAn8/mkPp8RES9W7+HEgxrfw8AAADTbHW91jZ9eVnADAAAAEyLNQEzAAAAZ1LdEjADAAC0mym7gDFXiYgbKaWvPe0KUkp/MiI+F8JlgKk3/ru/rZ292N0bztchaINRMcyTzl2DlRhtxVylxvjv7yMiNus+cAEAAIBBW10rBMyszJdUCQAAADBs6zUBMwAAAGdxV8AMAABQIGCmdyuF6UpEvHiaFaWUPhoRPx73h91OxmhbgCm1Wd8d2rYEzDAq9HumVW2IfR8AAACmUaPROBwws7wQlUKarQ/XAAAAYDKtVQXMAAAAnIWAGQAAoEjAzNk0Wo9HU0o/dNKFUkoPppRejohnohkuc/Da18qBR8ThQBugg4pLyBkBte0hBm3sCtpgNFTrnU86NwawW97aaf6O2eczCqoCZgAAAGCg1mvbh46/L68slFQNAAAAMGwbte2ySwAAABhrVQEzAABAgYCZ3i0deH0wDObplNJ3HbdwSulDEfFqRFyN9nCZSkS8GRFPR8QjEXGrfyUDjKBK5fh5xsxml6CNQajvCJhhNNSGGLKh3zNKhrnPBwAAgGm0ulZrmz43U4mveehiSdUAAAAAw7ZWrZddAgAAwFi7u+WGmgAAQDsBM2fzXETciIiNaAbE3EwpfUu3mVNKfykiXoqI5TgcLnMrIj6Qc/54zvnV1roj2gNtACZXo3H8PCOujKCNSoz/9226jf/Pb5j9fkvAzJgqBoqNf7+PGG7fBwAAgGn0WiFg5n1LF+P8OR9tAgAAwLRYrwmYAQAAOIu797bLLgEAABgx58suYExtRMRLOefva03/9ZTSKxHxrRHxyZTSB3LOb+/PnFJ6MCJejIhrcThYJiLi6Zzzxw9uIOd8K6X0yAC/BgD6bKgBM7vdgjaKQQ6Mlsn7+YxEwExl8r6vjL5NATMAAAAwUKvr7QEzl5cXSqoEAAAAKMNaVcAMAADAWVRd7wwAABQImOlRzvmvR8Rf79D+aErpcxHxdRHxyYj49oiIlNIHoxkucyUOh8vciYgnc86f7rKtV/tcPkwXgQMM2TDDBroGbcCQ1eo7Q9tWXb9nhAwzXAkAAACm0eraZtv0wysCZgAAAGBaNBqNWK8JmAEAADiLu1vDu9YfAAAYDwJm+uuJiPiNiHg0pfRDEXE7Ip5vvVcMl7kVzXCZN4deJQADMcywAUEbjIqh9vtd/Z7RsLfXiM1tATMAAAAwSK+v19qmLwuYAQAAgKlxd2sntncbx88IAABAV3fvCZgBAADaCZjpo5zznZTSd0bET0XE063m/WCZRut1RMSNnPNfL6FEgBFSOX6WMVOtD+/km4AZRsXmEANmtgR6TIbG+F8AJlwGAAAABu+1tfaAmfcvz0dERKVwarkxAecaAAAAgHYbte2ySwAAABh71S0BMwAAQLuZsguYNDnnWxHxfdFMTtgPl4nW642IeEK4DPTf5EWVTKPxHwQwzKCN+q6AmYkw5oNfGo3GcIOV9PvxVBz1NQFqQ9zfAwAAwDTa3WvEFzc229ouryyUVA0AAAAwbGvVetklAAAAjL23BcwAAAAFAmYGIOf8XER84kBTJSLuRMSjOedPllMVAIM2zMCB+k4zaKMyAcE8U2XCgja2dvaGmpGztb3f76FcwwwUAwAAgGn0W2/di+3d9hNPDwuYAQAAgKmxVhMwAwAAcFZVATMAAECBgJkByTk/GRGvRnMMdCMiruacXz3p8imlD6SU9lJKjuQAxsRmfXi77P2AmUMmLMCE0TbsE8713S79Hoastu1fdAAAABik1bVa2/T87Ll41+JcSdUAAAAAw7ZeFTADAABwVgJmAACAIgEzg/VERGy0Xn+sx2WXWs+SAgDGRK2+O7RtCdpgFAyzz0ccEawEQzbsvg8AAADT5rVCwMzllfmoCNcGAACAqbEmYAYAAODM3hYwAwAAFAiYGaCc852I+HA0Q2KeTin9B6dYzUZfi4Kp4mLzkTaBgwFq20MMmBG0wQgYdsjG1k637U3e/mSyFH8+jVKq6KdNATMAAAAwUK8XA2aWF0qqBAAAACjDRm277BIAAADGXlXADAAAUCBgZsByzrci4vuiObL2hZTSt5xw0cdaz2sDKQxg1DQEDvRiS8AMI6BWH+4J527BSuO/92Dc+LAFAAAABmt1fbNt+vLK/YAZUcMAAAAw+dZq9bJLAAAAGHvVLTfVBAAA2p0vu4BhSil9sKRN/1REfDgirkbEJ1NKH8g5v91t5ladN4ZUGwB9MszAga0dJ/omw3hHo9SGGKoUIViJ0bG5bR8MAAAAg7S6VmubPhgwUzTeZ9gAAACATtarAmYAAADOYm+vEXfdVBMAACiYqoCZiLgd5V5n2oiIlYjYSCmVWAYAgzDMwIF6K2jD3XrHzWT9xIYdMFMXMMOIGHbfBwAAgGnzWjFgZnm+pEoAAACAMqwJmAEAADiTmhtqAgAAHUxbwMydiLhScg2NmLTR5TACKu5RyggYZuBA96ANf2IYnlp9uInmW+8EK9nnj5VKYb/UGP+fn4AZAAAAGJx727vx5be32touryyUVA0AAABQhvWagBkAAICzqG4N91p/AABgPExbwMxGxEiMSD5pDVICgAk2ebu4oQbM7HYLmIHhGXbIxlbXYCUYrs0hhysBAADANHl9ffNQm4AZAAAAmC5r1e2ySwAAABhrb99zvTMAAHDYtAXMrEUz0eBgwMsoJhyMQggOwJCN/65vmIEDdUEbjIBhB8zo94yKYfd9AAAAmCara7W26ZXFubh0Ydo+0gQAAIDp1Wg0YqNWL7sMAACAsVbdEjADAAAcNm1XY24ceF1pTX+q0D4KrkbElbKLAKA3wwwcELTBKKgdcdK5MYDQqPput34/inmBTDIBMwAAADA4q+vtATOXl+dLqgQAAAAow9tbO7Gz137dyUPzs/Hm5nZJFQEAAIwfATMAAEAn0xYws3bg9Ys55+8prZJjpJReiojHy64DxlpF4ADDtTnMgJmuQRuMlUb/Q1iGqbY93JCNrSFvj0EZ734fEVGr+8AFAAAABmV1rT1g5v0rC23TlcK5/zE/xQYAAAAUrFfrh9qWF9oDZpwPAAAAONrbAmYAAIAOZsouYMg+d+D1jdKqOJm/3XpeKbUKAE6k0WhEdYiBA/WdZsBMZQKCGqbKhAVf1YZ80lmw0riarH4fEVEbYqAYAAAATJvVtc226YcLATMAAADAZFsrBMxcOD8TF2fPlVQNAADAeKoKmAEAADqYtoCZjf0XOefPl1fGidwpuwCAgZqwoI2tnb3YG2LWy37AzCGT9W1lxA07ZGNrW8AMo2FTwAwAAAAMzGtrtbbpy8sCZgAAAGCarNfaA2ZWFueiMmHXmgEAAAzaXQEzAABAB9MWMLNWdgGnsFR2ATAOKpUhJnswGGP+Ixx22MBWt4AZGKJhB8zUd/f7/ZjvMBh7w+77AAAAME1W1wsBMyvzJVUCAAAAlGG9ut02vbwwV1IlAAAA40vADAAA0Mn5sgsYsjsRcbPsIk5oIyI+EUZQA4yF2nZZQRtQnlp9uCed64KVJkNj/P+9HfY+HwAAAKbFm7XtePte+zmnh1cWSqoGAAAAKMN6rd42vbI4F29U613mBgAAoJOqgBkAAKCDqQqYyTl/OiI+XHYdJ5FzfjUiniy7DgBOZlPQBqcy3kEb1fpwQza2doR6jKVKpewK+q7mAxcAAAAYiNX1Wtv0TCXifUvzJVUDAAAAlGGtECaztDArYAYAAKBHd++53hkAADhspuwCAGAS1IYctCFgZlxNVtDG5sj0+8n6vjL6hr3PBwAAgGnx2lp7wMzXPDQfs+faP850JggAAAAm23qtPUxmZXGupEoAAADG190t1zsDAACHCZgBJpjLzMdLo+wCzmToATO7zaCNyph/3xhvtfpwU80FKzEqNrd94AIAAACDsFoImHn/8vwJlnKOFAAAACbJWrU9YGZ5QcAMAABAr6pbw73WHwAAGA8CZgCgD4YZtLG714jdvW6DJgQrMTzDDlbaEjDDiBh2uBIAAABMi9X19oCZh1cWSqoEAAAAKMt6dbttemVRwAwAAECv7gqYAQAAOjhfdgHTKqX0YERciYjHImItIu7knD9TalEAnNowgzbqQjYYEcMOmNH3GQV7e424t60vAgAAwCCsrm22TV8WMAMAAABTZ71Wb5teFjADAADQMwEzAABAJwJmhiyl9N0R8Ww0w2WK70XrvY/lnN8acmkw1irRKLsEppyAGaZRrT7ck85b+j4jYHN7uMFKAAAAME1W12pt05dX5kuqBAAAAChLMWBmZUHADAAAQK+qAmYAAIAOBMz0IKX0vRHxSESsHDHbT+Wcf6TL8v9TRFyLiMoRy9+IiGdSSk/knP/pqYsFYKg2hxgws7Ur3GBiNMY3HKu+sxfbu8Orv9FoRH23GTBz1D9SMGjVIQcrAQAAwLTY22vE6+ubbW2XlxdKqgYAAAAow95eI9Zr221tSwuzJVUDAAAwvu4KmAEAADoQMNObvxwRD3V5b3+s89WIOBQwk1J6ufVeJSIaHZY7OF2JiFsppWtCZoCJVSns/sY4aCMiojbEgJn6zt47rwVtjJlivx9jwwxVioh3wmWYBOO9vx923wcAAIBp8eW3tw6dA3p4RcAMAAAATJO37+3E7l77dQUri3MlVQMAADC+BMwAAACdzJRdwJj5cLSP5d8Pg3k1Im5GxI3WPG1SSj8cEY+2JhuFZZ+LiCda7z8ZER8/8P6tlNLX9fUrAGAgNuvDO/l2MGDmkAkKMGG01baHe8J566h+z4ibrP3SMAPFAAAAYJqsrtfapi+cn4n3PHDh8IyTdaoBAAAAOGCtVj/UtrwgYAYAAKAXjUYjqgJmAACADs6XXcA4yTnfSindiIhnoxkUczsibuScP9ltmZTS4xHxdLQHyzQi4nMR8Z0551cPzP7piPhESun5iLgVEQ9FxMci4k/1+2sBoL+GGThQvIsvlKG6NdyQDcFKjAoBMwAAADAYr73RHjDz/uX5qJzgvE+jcewsAAAAwJhYLwTMzM+ei/m5cyVVAwAAMJ42t3djz+eoAABABzNlFzCGHmk938w5P3ZUuEzLjS7tTxTCZd6Rc74dEdeiGUbzZErpwdOVClNO4ABDVB1mwMxRQRswJJtDDtnQ7xkVw+77AAAAMC1W19sDZi6vLJRUCQAAAFCW9Wp7wMzK4lxJlQAAAIyvu1s7ZZcAAACMKAEzPUgpfSAinoqIz+Wcv+eE81+LiP3Mz0rr9Qs5588ftWwrZGY/vObDp60ZgOHYrA/vBJygDUZBbYh9PiJiS79nRAy77wMAAMC0WF3bbJt+WMAMAAAATJ21QsDM0sJsSZUAAACMr7v3XO8MAAB0JmCmN9dbz8/2OH/R8ydc/vlohtI8ccL5AcZIpTDd6DjXuKjVd4e2LQEzk2R8+/0w+3yEfs/oGHbfBwAAgGmxul5rm768LGAGAAAAps16rT1gZmVxrqRKAAAAxld1y/XOAABAZwJmevNENEeC/3gP8xfdyTl/5oTLv9R6vnrC+QEoyeb28E7Abe0eDNoY34CS6VQMVhpfww7Z2Nq5v72Kfk+JBMwAAADAYKyuFQJmVuZLqgQAAAAoy1p1u216eUHADAAAQK/ubu2UXQIAADCiBMz05rFoBsS8dcL5r8X9kf+V1utbJ91YzvnN1suVE1cIQCmGGThQ39k74t3JCTBhtFXrwz3pfHS/h+GpDbnvAwAAwDTY2tmN33rrXlvb+5cXSqoGAAAAKMt6td42vbIoYAYAAKBXAmYAAIBuBMz0ZikiNk4yY0rpW7u89VKP29xobReAETY6ATMwHJtD7PMR+v1EaTSOn2eEDbvvAwAAwDT44sa9Q6cMHn5X54AZEdsAAAAwudZr7QEzywsCZgAAAHpVFTADAAB0IWCmd2snnO+xLu23+lUIAKNjsz68E3CCNhgF1SH2+YiIrSP7vWFFI60yWT+f2raAGQAAAOi31bVa2/RD87Px4MXZEy073lG2AAAAwEHFgJmVxZOdHwAAAOC+uwJmAACALgTM9Gajh3kf6bR8zvmtHre51ON2gXdM1oD2iVMMHCjennbMVOvDCxyo7wqYmRhj3O83h9jnI44LmIHhGXbfBwAAgGnwWiFg5vLKfEmVAAAAAGVaq7YHzCwtzJVUCQAAwPgSMAMAAHQjYKY3axFx5YTzXj3wuhLNGyh+qpeNpZQ+0Hp5p5flABi+YQYO1AVtjK9isNIYq24NN2RDsBKjouoDFwAAAOi71fVCwMzyQkmVAAAAAGVar223Ta8sCpgBAADoleudAQCAbs6XXcCYuRMRj59w3mvRDJU56HaP23u6tY5bPS4HwBA1Go2o1dtPwP3vKr8aT5//R7EeD8QXq98d0fhg38JFDgbMVA79qYHh2Nxu7/MLcS/+k/M34wOVL8XtvW+ImXvfEhGLfdve1vZwA22gm1qhL67EW/GXzv9YvKvyVvzs3jdH1P/1iAuXSqoOAAAAxtPra5tt0w+vCJgBAACAabO314iNWr2tbXmhGTAzObd0AgAAGLy7AmYAAIAuBMz05nZEPJ5S+sM553/abaaUUrcQmpd63N5Trefne1wOpo6QDcq0tbMXewe64KWoxd+d+1hcrLTuqLP6zyM+/qMRf+A/jvg9fyxi5tyZtlff3ev+Zp9CbOA4tXp7yMZfPP8/xEfO//8iIuLauU/H3v/nH0c8+u9F/P6/ELF0+czbO9jv7fMp02ah7/+V2R+N7zr3sxER8Z3nXonG3/xHEd/+VMS3fyRi8d1llAgAAABjZ3W91jb9fgEzAAAAMHXeurfddg1WRMTK4lw5xQAAAIyxu/faA2bmzs+03egYAACYXjNlFzBmXormjRBuHDPf8xGHRz7nnH/6pBtKKf3tiFiKiFs558+fvESAcTE5QSjFsIEPznzufrjMvi/ejnjx3434gUcjXv6RiO32O/L2YsuJPUZAdau933/HzK+0Tc9s1yJ+/oci/tYHI37iqYjf+uUzbW9rW79nNNTq7R+4FPt+ZXMt4n/5WMR/8c0RP/m9EWuvDrM8AAAAGEuvrbUHzFxenu86b0XINgAAAEyktWr9UNvSwmwJlQAAAIy3auF65wcunC+pEgAAYNQImOlBzvmTEbEREU+klL6r0zwppY9GxJUDTZVohs08d9LttNbxVESsR8STp60XYLwcyuUaG7Xt9qCNc3FEEMb6qxE/+X9tBg/8L389orbW8/a2dnaPnwkGbHO7/aTzTLd+v7cT8Ys/FvG3/0DEf/snI179ZxGN3n/f67sCZhgNxVCxrvv8nc2Ilz8e8QNXI178sxFf/MzgiwMAAIAx9Pa97diotQd2X15ZKKkaAAAAoCzrtfaAmYW5c3Fx9lxJ1QAAAIyvu4WbyS4KmAEAAFoEzPTuY9EMjbmZUvpPU0oPRkSklB5MKf1wRDwTh1MSNiLio8etOKX0wZTSywfW8ZGc81v9LB6A/tsspDufSO13Iv7p/6sZNPM/fn/ExuqJF63vCNqYHOMbrFTdOkXQ0W/civi7fyzi4x+K+Oz/ELF38nUc2e/dtXrMjG+/j4io1Xvs+429iM/+RMQL/3rE3/sTEZ/76VOFLAEAAMCkWl3bbJuuVCJ+19L8iZd3mA0AAACTYa3aHkC7vDBXUiUAAADj7e699uOrSwJmAACAFgEzPco5PxcRn45myMxzEbGeUtqNiPWIeKrVvq8SJwiKaQXL/HBEvBIRV1vLVSLiYymlBwbyhcA0EDjAkBwXtHFvZj7iq39f5ze3qxE//0MR/+W3RPzEUxFf+fVjtydgZpxNzn5p85iQja2v+mDE+S4Dgb54O+LFfzfiBx6NePnvROweH9K0tXOKQBtGxOT0+4jjA2Ya7//2iJkuH8Lc+Z8jfvS7Ip7/1yJ++RNGwAEAAEBErK7X2qbf+8BFdycHAACAKbRerbdNrywKmAEAADiN4hgXATMAAMA+ATOn83hEvBr3g2AOPoqjRJ/LOf9EcQX7oTIppTeiGSxzMJym0Xp8fUS8mlL62oF8FQD0xXFhA5szD0Q8/c8i/sw/iHjkQ51nauxG/OKPRXz8D0d84faR6zsYMDNZsQ2Mk2r96FCYt3/fvxvxn3w24g/95YiFd3Weaf3ViJ/8TyN+4s8duz3BSoyK2jF9Pz70f4v4j38h4jv+o4i5S53n+a1firj570f89F/rf4EAAAAwZlbX2gNmLq90CS0GAAAAJtparT1gZlnADAAAwKnc3Wq/3nnxght8AAAATQJmTiHnvJFzfiQiPt7h7f2gmTcj4smc8/d3Wc1PRzNUZvnAMgeX359eiYhbfSodYHRUCtEojWI+1/jY3D4mbCCi+fVe+UMRf/q/b4bNfPP1iEqHk3T1uxG/+ONHrqq+e1TQhsgZhmPzmGCliIhYfFfEH7oR8X/55Yh/629ELHXJzPvsfx9RfePIVQmYYVQcFyoWEREPvT/i3/jPI/6TX4740F+JWHxP5/le/jv9LQ4AAADG0KGAmeWFkioBAAAAyrReCJhZWZgtqRIAAIDxVgyYuXTR8RUAANB0vuwCxlnO+emU0jMR8eGIeDSaYTB3IuLlnPMnjln8YxHx2Ak39fLpq4TpUInxDSdh/J0obOCgr/mWiOs/EvH4X4n4uR+KuP33InY2779/b+PIxQVtMAqq9RMEK+2bW4j49o9EPPpnI371H0b87H8Z8aXPtM+z9WYzkKaLLf2eEbC71+itL84vR/zB7434jv8o4hf+fsS/+IGItc/df//em/0vEgAAAMbM6vpm2/TlFQEzAAAAMI3Wq+0BM0sLcyVVAgAAML4ajUZUiwEzFzrcHBkAAJhKAmbOKOf8ZkR8vPXoZbnnBlMRAMNWDJg5ceDR8tdF/FvPRZy/EPEv/tb99sbRywuYmSDH/KxH1d5eI+5tt/fDykkWPHc+4pu/OyL9WxH/+Xt72ubBfn+ibcEAbG53ChQ7we/x7MWIx/5sxMO/P+KHfn9h8UZERa8GAABgeq2u1dqmjwuYcRgNAAAAk2mtut02vbIoYAYAAKBXWzt7sbPXfn3z4pwhpAAAQNNM2QUAwLjbrHcKHOjBoRERxwTM7AqYGVsTMvqlc8hGDzp9H44J29kSrMQIqNV3jp/pSL33fQAAAJhkjUYjVtcLATPL8z2vAwAAABh/67V62/SygBkAAICe3d06fL3zpYsCZgAAgCZHByVKKX0kIp4qNN+JiJcj4oWc81vDrwqAXtXOGjDTKXDgCII2KFv1zCEbvdPvGQX9DxSLOC5UDAAAACbZV+5uxb3t9vM+l1cWSqoGAAAAKNN6tT1gZmVBwAwAAECvqp0CZi4YQgoAADTNlF3AlHskIh4tPJ6MiGcjYi2l9F0l1gYwYMVB9uM7wL7W77CNY+64Wz8QtFEZ4+8b4+vMIRs9hipFRNR3uwfMNE6xPoaoY6jKeKpuDb/vAwAAwCRbXdtsm547NxPvffBiSdUAAAAAZVqvtQfMLC/OllQJAADA+Hr7Xvv4lnMzlbhw3hBSAACgSfxkuZ6PiJcKbVci4jsj4k9GxM2U0vWc838/9MpgIhjEzXDUjgnbODb8osfwhYMBM2ddF5zGyUI2+tsXt7bPGuzByDgmRGuUbW6fJFCsx74/xt8PAAAAOKvX12tt079reT7OzTjHCQAAANNmd68RG5vbbW0ri3MlVQMAADC+qlvt1ztfunDeOBMAAOAdAmZKlHN+NSJeLTR/MiI+nlK6FhE/FREfjwgBMwAj7LiAmeMVT9YdHTZQ3z0iYAaGoBiyMXtu8Cec9XtGwZn39x0/nBEwAwAAwPR67Y32gJn3L8+XVAkAAABQpjc3tw/dn2V5QcAMAABAr6r1DgEzAAAALTNlF0BnOedbrZfLKaUPlVoMAEfaLJyAO7Pi1RIF9R1BG5NjPIMlqlvtIRsLcz2edO4UsqHfMwb6HygGAAAA0211vT1g5vLKwrHLOLoGAACAybNWrR9qW1qYLaESAACA8fb2vfbxLYsXzpVUCQAAMIoEzIyolNIHDkw+WVohMCYq45nRwIQ4HDjQY4fsFLZxBEEb42wyhr8U+/zC3LmoDDgsZ+tAvx/0tqCbzULfPz9TOftv9THhSgAAADDJVtc226YfPkHADAAAADB51mvtATOXLpyPC+cNggQAAOhV8Wayly70eDNZAABgogmYGUEppQ9FxE8daFopqxaAgSmGqozxAPvN7fYTcLPnzvrn9ejvRX1XwAzlqtXbU80X5nq9oKf3SA7BSoyCYrjSfK99v2Og2Pj+/QMAAICzem2t1jZ9ebn3gBlH1gAAADD+1qrtATPLi7MlVQIAADDeqlvt1/ovCpgBAAAOcITQBymlByPiqYj4toi40nqc1lLr+eDo05fPsD4ABqwYOHDx/EyPoxp6C9s5GLRRMXyCEhT7/MJcP/6lPLovb+3sHvGu3wOGoxiutDh3PmKrpGIAAABgzG3v7sWX3txsa7u8Ml9SNQAAAECZNmrtATMrC3MlVQIAADDe3i4EzDxw0fBRAADgPkcIZ5RS+uFohsvsq3Sbt0eNA+u62ad1AjAAxYTnC+fPRWz3sIJKb386DgbMdFhZT+uC09g8FDBzbuDbPLLf9/g7BKd1OFzp3NkDZo4JFQMAAIBJ9aWNe7FXOCy+vLxQTjEAAABAqdaq7RdbLQmYAQAAOJXi+JbFvtxMFgAAmBSOEE4ppfRQRHwqIq7E4dH8/Rwl+n0558/3cX0wPQQOMCSb2+2BA3PnZ9oCZnr/o9B9iUajEfXdowJmYPCq9faTzp0DZo7YB59i/3x0sBKjbXL+HhcDZuY79f2j+nfH9wTMAAAAMJ1W12tt0w9cOB9LC7MlVQMAAACUab1Wb5teWTw6YKbhs3YAAICO7t4rBMxcMHwUAAC4zxHCKRwIl3mk1dTPT6r2R51uRMRHcs6f6OO6ARiAYuDAhdmZiM1e1nDy8AXhMhOmMZ4Xu2wW+vxCP1LNj/lebAmYmSDj2e8jIjZPFK50lA77+zHdDwAAAMBZvbbWHjDz/pWFqAiOBwAAgKm0Vm0PmFleODpgBgAAgM7uFq53fuCi4aMAAMB9jhBO5+PRDJc5OBq0H1e8NiJiPSKezDn/dB/WBzDCirvN8R1gXwzbuHB+prcVFAdNHBE2UBeyMd4mZIBMdRAhG0fY22vEzt747iOYHMVAsflew5UmZB8AAAAA/bBaCJi5vDx/ouWE0AAAAMDkWS8EzKwszpZUCQAAwHirbrVf6794wfBRAADgPkcIPUopPR4R1+N+EkIlIu5ExM2IeLn1eqP13vMR8XhEPHagrWgpIq5ExBMR8eGIWI6Ij6WUnsw5/2bfvwCYWIIHKEej0YhaIWzjYq8BM4fX2vWdYsCMoRSUoRiysTB3Lipn3g8f0e93BSsxGmrbhb4/O9i+DwAAAJNsdX2zbfryykJJlQAAAABlW6+1B8wsL86VVAkAAMB4u3tPwAwAANCdI4Te3Tjw+s2I+EjO+ROdZkwp3YlmwMzncs5vHbHOT0fEJyLiz6eUnomIj0XEKymlR4XMAIy2rZ292CtkA8z1HDBz8piYY4M23L2XIahtFUI2BnzSeWu7GKwkkINy1AqJ/gsXzvW4hg776Ib+DAAAwHRaXau1TT98yoAZh9YAAAAw/tZr223TKwsCZgAAAE7jbuF65wcunI+3C20AAMD06nUE/FRLKX0gIq5FRCMiNiLi0W7hMi0brecrJ91Gzvm5iPjOiFiJiJdSSg+eqlgAhmKzvnuo7cL5XgMHCo4YEVHfOSZgBoagtl0ImJntsc/3GIS0tXv49wzKUCvs8xfmBtv3AQAAYJIVA2Yur8yXVAkAAABQtrVqvW16ScAMAADAqVTr7WEyiwO+mSwAADBeBMz05vqB14/nnF89Zv7PtZ5XetlIzvlWRPz5iPj6iPhYL8sCMFzFk28RERfO9/jn9VDggIAZRlutkGC+0I+TzkcEK21tH9fvhXYwHJvFcKW5fnzg4jbrAAAATJ/q1k68URg4dnl5oaRqAAAAgDLt7O7Fm5vbbW0riwJmAAAATuPuvWLAzBlvoAwAAEwUATO9+bZojgB9Ief8mRPMvxbNEc9Xe91QzvmFiPh0RDydUnqw1+UBRl4xVOWIcIlRtlnfPdR2KGDmUIBM0cnDMbYEzIy5yQhCqdWLIRsdTjof1e+P/Z1oV9/V7xkNxb4/P9vpA5ej+neH98b07x8AAACcxevrm4fa3i9gBgAAAKbSRiFcJiJieXG2hEoAAADGX3Wr/XrnBy44vgIAAO4TMNOb/aCY5084/0br+YlTbu/5aI5C/cgpl4cpNxlBDoy2YtjA3PmZmDnrX9cjwgYEbTAKNrdPEDDTR3XBSuOtx0ChUVYMFeu570/Q9wIAAADOYnWt1jb9ngcuxPwJj7MdXQMAAMBkWa/WD7UtL8yVUAkAAMB429rZPTTmZPHCYK/1BwAAxouAmd6sRETknD9zwvnvtJ4fO+X2Xmo9f/splwdgwIoBM4unCdroIXCgGLQxU+keRgODUt3aaZtemDvfh7V278tbAmYmyxEhWqOuVi/2/X584DK+3w8AAAA4rdcKATOXl+dLqgQAAAAo23ptu236gYvnY/acy5sBAAB6Vd3aPdR26UI/rvUHAAAmhU9gerMUERsnnTnn/Or+cimlD/W6sQPLX+11WZg2FYOzKcnmdj+CNk4fMHOWdcFpbRaClRbmzg205x3f72E4qof6/vke/wfp8JsyxoE7AAAAcFqr64WAmZWFkioBAAAAyrZWrbdNLy/MlVQJAADAeCveSDYi4tJFATMAAMB9AmZ6s3GKZW63np86wzavnHJZgDEyngPsa4Wwgfm5c2df6RFhA4I2KFuj0YhqvRis1Id+fwT9nlGwu9c41Bd77vuVTlFM4/n3DwAAAM5idW2zbfrhMwTMNBxbAwAAwFhbrxUCZhYFzAAAAJzG3ULAzEwlYn52sNf6AwAA40XATG/uRMRSj8vciohKRDyZUvraXhZMKT3U2t5Gj9sEGAOdBtmPn2LAzKmCNnr4VtR3BW1MlCPChEbV1s5e7BXKXpgbbKr51s7u8TPBgNXqhxP9ew8Vm4y/fQAAAHBWr6/X2qYvL58+YAYAAAAYb2vV9oCZlYXZkioBAAAYb8WAmcUL56PS8QaZAADAtBrsaODJcycivjWl9MGc82dOuMxLEfFM6/XzEfFHetjeY63ntR6WAWCINgsBM/1Jd+4eOlLfETAz1ibg3GwxVCmiGaz05gC3qd8zCor7+4g+hSuNYdAUMFlSStci4slonoO4EveDbtdaz5+K5rmNWznnjQHXshQR1yLie1q1HKznTuvxYznnm4OsY9RqAQCYNI1GI15baw+Yef/KfEnVAAAAAGVbLwTMLC/OlVQJAADAeCsGzFy6YOgoAADQzlFCb+60nj8cEZ/Zb0wpfSgi1jqFzuScP5lS2ojmIKQnUkr/Qc75R064vRuF7QIwYqr19hNwC3OHA2Yax6aKFN4/ImxA0AZlqxX6fES3gJke03SO6Pdbx/V7qeoMQbdwpUOO6o/6KjBCUkrPRMSzXd5eaj0iIq5GxFOtZW5GxI2cc1/PU7TCXJ7d307BRquWq63H9ZRSRMTE1wIAMKnWqvVDx9mXlxdKqgYAAAAo23ptu216ZUHADAAAwGncvdd+rf+igBkAAKBgpuwCxszz0RwtfT0iIqX0eErpjWjeyfuVlNKvp5S+rsNyL7aeKxHxQkrpu47bUErpu6N5p+xGCJiB0zGImyHYLAyEWJg7xQm4Hvrq1q6AGcrVKWRjvlPIxrFO3u8FKzEKin1/phIxd77Xwyn/mwDlSyldSymtx/1wmY2IeCEino6IJ1qPp1ttG4XFr0fE51JKL0afpJSuR8R63A902YiI5yLikZxzJee8nHOuRMQjrfb9mvZr6RaSM9a1AABMstX1zbbp8zOV+JqHLp54eaf+AQAAYLKs1+pt08uLAmYAAABOo7rVHjBzScAMAABQ4CihBznnV1NKn46ID6aUvjcivj8ilg/M8vUR8bcj4o8UFv1YRHwkmmExlYi4mVJ6PiK+L+f8VnE7KaW/1Fpm3yv9+ypgMrmefAI0GmVXcCrFwIGFuXMRh/M3+mZr+5iVG13BgBX7/MXZmZgZcL8TrDTuJmO/VKu3f+CyMHd+Qr4yYJqklJ6KZnhuRDPM9kbO+eYRizydUnom7ofR7LueUvpcRDyZc759hnqejYhnDjTdjIiP5Jw3ivPmnO9ExI2IuFFY7pmU0tWc8xOnrWPUagEAmHSra7W26fctzcf5c+6JAQAAANNqrVoImFkQMAMAAHAadwXMAAAAx3C1Zu+ej+Yo2WejGS7TOPCIaN7pu03O+dWI+ERruf2QmacjYj2l9GMppe9NKf251vPL0QyXOThe9ccH9cUAlGZCglA6BcxUBhiWUxe0QcmKIRuLc82TzpUYXL8/NliJMTNBgWIxKfE5wDQohMu8kHN+5JhwmYiIyDk/FxGPRMRG4a0rEfHJlNLVU9bzTBQCXXLOT3YKdOlQ041oBrzsu5ZSevE0dYxaLQAA0+C1QsDM5ZX5s61wPE81AAAAAC3rtfaAmZXF2ZIqAQAAGG/FgJnFC+dKqgQAABhVAmZ6lHN+ISI+HffDYg5qRPMO4J38ubg/GGs/ZKYSEdejGVbzfOv50bg/TrURzUFNb/WpfJhgriCnHJuFsI35ucEmPNd3BMxMlvHbd9W22kM25ucGf9K5GKw0yDAb6KZbwAzAOGiFwOyHyzyXc366l+Vzznci4vEOby1FM2Rmqcd6rkXzHMi+OznnJ3us6bmIOBiQc70VFNOTUaoFAGBavL5eCJhZXiipEgAAAGAUrFXbA2aWF+ZKqgQAAGC8VQsBM5cuCPAEAADaCZg5nQ/F/ZCZ/TCY/dfPd1og5/xmRDwV7eExB4NmKoX39n20n4UD0F/DDhwQMDPuKsfPMuJq24Pq891DY/R7RsHm9nADxQD67MXW862c843TrCDnfDsiOi27dGD9vdazr6fAmwOK9TybUroyxrUAAEyF1bXNtunLKwJmAAAAYFpt7+7F2/faP49fWRQwAwAAcBp3CzeTvXTBDTUBAIB2AmZOIef8Zs750Yj4cETciohXI+J2RDydc/4bRyx3MyL+fLSPLm90eOy3P5dz/kzfvwAA+mZzIGEbgjYYXbVCqvnCaUM2KicP29nS7xkBAwsUa3Tf5wP0Q0rpekTsB508eZZ15Zyfi4iNDm9dSyldO2E9z0QzlGbfRs751inruRPN8zIHPXvS5UepFgCAabK6XmubFjADAAAA02ujtn2obVnADAAAwKncLVzrv3jBDTUBAIB2AmbOIOd8M+f8nTnnr885P5Zz/vgJlnkhIr4zIt6KZtBMcXT1ftsLOefv73vRACNrPAfYVwsn4OY7Bg4cF6Rx8qCN+u7BoI3x/J4x3k4cstFDgMxxjgtWavTwOwSntXnigJkj+mMffy8AerB/buGFnPNGH9b3Qpf2Gydcvniu48fPUEtExIuF6esppaUxrAUAYCrs7jXiC+ubbW2Xl+d7XIvjawAAAJgU67X6obal+dkSKgEAABh/xfEtly4KmAEAANoJmClBzvlWznk5Iv58RNyO+6Eyb0bzbtdP5Jz/wxJLBBiCyRgEcOKwjT45LmhjUr6vjK5avf2k88Lc4E86b+3sHj8TDFh1q70fzs8Odn8P0A+tcJOrrcmnUkrrKaXnzxh68nyX9mvHrTeldC0iivO8dIZaIprnUYqODewdpVoAAKbJl97cjJ299uDsyysLJVUDAAAAlG2t2h4w8+DF83H+nEubAQAATuNuMWDmgoAZAACgnaOEY6SUHoyIlYi4EhF3cs6f79e6c84vRPc7fwNnJmiDwdvcLgbMnI/qALd3fMAMY6XROH6eETOwUKUjvhf6PaOgtt3+gcuiD1yA8fBYYXopIp6KiGsR8chpVphzvpNS6vb2tYi4ecTiT3dou32aOo6p56mIuHHMoqNUCwDA1Fhd22ybXpg7F+9anCupGgAAAKBs64WAmRXnCQAAAE7t7r3C9c5DuJksAAAwXqbyKKEVGnMlmsExS63X72o9LxXeO+jpiPg7QyoTgDHQKWxjkAEzW7uCNsZaZfyDr4p9fvFCnwJmjiBgZsxNQL+PiNgs9P35VrhSJcYvKAqYKle6taeUruecjwqDOcrtiLjaw/YipbQUEdeL7TnnO6es4aA7hW0vpZSu5pw7BsaMUi0AANNmdb3WNn15eSEqZzx34MgcAAAAxtdarT1gZlnADAAAwKlV6+0BM5cuTuXQUQAA4AhTd5SQUvpYRPylY2YrXsm6ERFrrQcwgiZj6DrjqBg4sDB3LgY5pEHQBmWrFU46z882/53sfT988iW29PvJ0hjPYV+HAsVmBx+uBDBgXcNgTqDb+ZFHjljmsQ5tG2eo4aBiqEtExLVoBuGMei0AAFNlda0QMLMyX1IlAAAAwCjYqG23Ta8sCJgBAAA4repWIWDmwtQNHQUAAI4xrUcJxRHNjQNttyPiVkS8HBG3c86vDrMwgKk1hoEDjUaja9jGoAiYoWzFkI3FC4MP2Sj2+4r7UlOCzoFiACPvU0e8d5bAk40u7StHLHO1Q1u/gnw3OrQ9ERHPjUEtAABTpRgw8/7lhZIqAQAAAEbBWrXeNr28KGAGAADgtN6+J2AGAAA42jQfJeyPTK60Hjci4oWc85vllQQwRSrFrK/xs7WzF3uFnIu+BA4cEbZzMGhDyAZlKAbMzA8hZKO+K1iJ8h0KFJvr16GUfTkwODnn2yml23E4UOV2zvnWGVa91KX9qJCWb+vQtnGGGo7b7mNHzD9KtQAATJXV9c226YdXBMwAAADANFsvBswszJZUCQAAwHjb3t2LrcKNXRcFzAAAAAXTfpRQiYj1iHgs5/xq2cUAMF6KQRsRnQNmjo0O6CFs59igjQkI7mG0FUM2FmY7B8z0HpnRfYmtbQEzlK9a2Od3DRQ7cj9sHw2U4vGIeDYiPtya/vFohuyexZUu7Z87YpliyE3E0YE0vdjo0LZ0xPyjVAsAwFRZXau1TV8+RcCMU6AAAAAwOdZqhYCZxbmSKgEAABhv1a2dQ22XBMwAAAAF03yUUInmSObHhcsAcBrFoI2IiPlugQN9Ut8RtDFZeo9hKVsxWGlhCCedt44LVoIh2DxhwEyjIUYGGC05542IeLr1OLOU0lJ0D5i5dcSi3ZYZmJTSlZzznRGvBQBgatzb3o0vv73V1nZ5Zb6kagAAAIBRsF5tD5hZWRAwAwAAcBp3OwXMXJzmoaMAAEAnM2UXUKJGRNzMOX+m7EKAAXEbUwasGDYQEbEwN9gTcAJmxt3475cOBcycNlSph3301vbh3zUYtmKo2MLcef9qANPqWpf2jZzz7R7XtXHGWo7TS5DMxqCKaBl6qA0AwKh5fb12qO3y8kIJlQAAAACjYq3WHjCzvChgBgAA4DSqWx3Gt8wO9gbKAADA+Jn2GMofK7sAgOlVGJXfGL/glGLQxoXzM3FuZrBpA/Xd8fs+MVlqhWTzxQGHKkXo94yGYqjYfrhSJRpllANQpu/p0v5CtwVSSoMOV3mjS/tSsWGUailTSukvRsRfGMKmXKEAALxjdW2zbfpdi3OxeOHs55YaDs0BAABgbG1Ut9umVwTMAAAAnMrdrfbjq8W5czEz4PEtAADA+JnqgJmc80+UXQPQHwZ3j6HKTNkVnFkxYGYYYQP1HUEblKu23d7v5/V7jjUZH0x06/sA06QVznK9w1sbEfHRIxZdGkQ9p7RUdgEj4j0R8U1lFwEATJfV9Vrb9PtXFkqqBAAAABgF9Z29eLtwo6PlhdmSqgEAABhvd7far3W+dHGqh40CAABdTPORwkbZBQBMtWLewBjeZnZzu/0Ch4W5fv1Z7f692DoQtDEZkQ2Mm1rhxPNiv/r9EfuArULAjL5PGbqFip3ZGP79A6bas13ab+ScN4ZZyAmtlF3AAaNUCwBAKV57oz1g5vLyfEmVAHBQSulaRDwZEY9FxJVohrNuRMRa6/lTEfFSRNwa9PF/SmkpIq5FxPe0ajlYz53W48dyzjcHWceo1QIAMKk2avVDbcsLcyVUAgAAMP6qhQDPxQvTPGwUAADoZpqPFO6UXcBRUkofiOaFWo2c87vLrgeg7yoz7dONvc7zjbBi2MD8qcMGTh6XUd/ZPWYO0RtjZcyCJXZ296K+2/67evp+f3L1nfHbPzBZdnb3DvXDUwXMVOyjgfHVGmx2vcNbL+ScXzhm8VEKVxmlWgAApsrqeiFgZmXhVOtxdA3QHymlZ6J7mOxS6xERcTUinmotczOaQbN9vd6iFeby7P52CjZatVxtPa6nlCIiJr4WAIBJt1YImKlUIh6any2pGgAAgPF29157wMwlATMAAEAHM8fPMrHWyi7gBJbDdbLAxCru3sYraCMiorbVHvZyqrCBHhXDPRgzYx4uUds+HHC0eGEYwUr6PeXq1PcX5rp96DLev+cAR3i+Q9utnPPTZ1jnoM/NLPUw7yjVAgAwkVbXNtumHz5lwAwAZ5NSupZSWo/74TIbEfFCRDwdEU+0Hk+32jYKi1+PiM+llF7sYz3XI2I97ge6bETEcxHxSM65knNezjlXIuKRVvt+Tfu1dAvJGetaAACmwVq1PWDmofnZOH9umi9rBgAAOL27WwJmAACA4zlSGF1LZRcAMFCVwsUAjfELkKjV20/Azc92C9roX9iAoA3KVAxViohYmO3y72Qfw3S2dg5vd1Dbgk42650CZs4d+jsAMKlag8auFJrv5JyfOOOqV864fD+NUi0AABOn0WjE6lqtre3ysoAZgGFLKT0V90Nk70TEjZzzzSMWeTql9EzcD6PZdz2l9LmIeDLnfPsM9TwbEc8caLoZER/JOW8U580534mIGxFxo7DcMymlq2c9TzFKtQAATIuN2nbb9MrCXEmVAAAAjL9qIWBmUcAMAADQwTQfKWyUXQAwaAIHRloxEKLRKKeOM6httwcODPoE3M7uXuyN37eJCdIpTGN+7lzsDfD3V79nFNQ6BMzMz3ULFQOYLK2BZ9cLzbcj4vEeVrPWv4p6stGhbZRqKdNXIuJXhrCdcxGRhrAdAGDEvbm5HW8XLmi8vDJfUjUA06kQLvNCzvnpkyyXc34upXQzIl6J9hvlXImIT6aUHj9NyEwruKYt0CXn/OQJa7qRUnoj7gffXEspvXjS5Ue5FgCAabJWrbdNLy3MllQJAADA+Ltb+Dz2koAZAACgA0cKo6+sgU8Ag1WZaZ9u7JVTxxlsFgIHBh02UN9t/x5VQuoGw1UM2Zg9V4m58zNxb/tw+EbvOvfnrZ3x2zcweYrhSudmKjF3rvl3TJwdMMlSStfi/sCzfbdzzo+WUQ/9k3P+wYj4wUFvJ6X0noj48qC3AwCMvtW1zbbpmUrE+5b6EzDTcJ4U4Fgppatx/xj/uZzzjV6WzznfSSk9Hs2QmYOWohky84Gc80YP9VyL+4EsERF3eg1kaQXffFvcD8a9nlJ6Juf8XC/rGaVaAACmzXohYGZlca6kSgAAAMafgBkAAOAkZo6fhZKslF0AwEAVA2bGcBBAMWxjYbZPATONzt+L+kmCNiqiDhicYp+fb+vzg/kdPlG/Z7RNwH6pGCi2MHsuKn37usbv7x8wHVJKVyLipULzrVOGy2ycvaJT6RTauzHsIloECAMAU211vdY2/TUPzcfsOR9TAgzRi63nW72Gy+zLOd+OiE7LLh1Yf6/17Hv6NDXF4XqebZ3TGNdaAACmylqtPWBmeUHADAAAwGlVCwEziwJmAACADly5ObqWyi4AxovB2eOnMDC/MX4hEocCZuZOGTBzwpACQRuTaLz2XdV6H086n7Tf7x7u95Ux+74x/qrFcKXT7u+Lf/sARlRKaSkO35H8uZzzE6dcZbdwlaVTrq/oXV3aNzq0jVItAABTY3WtPWDm8sp8SZUATJ+U0vWI2A86efIs68o5Pxedj3GvpZSunbCeZ6L9OHwj53zrlPXciYjiss+edPlRqgUAYBqtV9sDZlYWBcwAAACc1t1CwMwDFwXMAAAAh01zwMxS2QUc49vKLgBgoCqFP0FjGDCzWQjbmJ8b7Am4LQEzE2C8wyU2+xaycXJb2/r9xGmMX0BQcX8v0R+YZAfCZZYOND952rubR0TknDfOVtWp3Sk2jFItAADT5LViwMzywqnXdcLcYgDu+/7W8wt9Oi5+oUv7Sc8dfH9h+sfPUEtExIuF6eut8xvjVgsAwNRZq223TS8LmAEAADi1YsDM4hCu9QcAAMbPNAfMPFZ2Ace4XnYBAAM1AaMAqoWwjYUBn4Cr7wraoFzVQyedBx+yUd/dPX4mGLBaMVxp9oj9/QT8fQOm14Fwmf27mt+JiEdyzjf7sPqNDm0rfVhvRPcQ4bUu7Rsd2sqqBQBgKqyub7ZNX145fcAMACfXOta/2pp8KqW0nlJ6/oyhJ893ab923HpTStfi8LHzS2eoJSLiVoe2YnDMSNcCADCtNmr1tumVBQEzAAAAp3UoYMYNNQEAgA6m+UhhKaX0cjQv8Hmj7GIOeFdEXIv7g7kAGFGbJwyYaUR/wgbqOwJmKNfmdiFk48hQpR77faPRsXnrRP1eoAeDVQyYGXSgGEAZWgPAPhn3z0fcjojH+3Rn84hmWM3VQttSn9bdMRzmiNpHqRYAgKnw+lqtbfphATMAw1K88c5SRDwVzWsSHjnNCnPOd1JK3d6+FhFHBdU+3aHt9mnqOKaepyLixjGLjlItAABTaa3aHjCztDB74mVv/+ZGvPfBi/G+h+bjqx+6GBePulEMAADAFKhutV/v/MDFaR42CgAAdDPtRwqPxuEBRaPAKGmAMVCrtyc8Hx22cXbFgJlKdA7kgEEpnnReHELIxskCZmCwioFig97fAwzbgXCZ/XMkt3LOT/R5M7fi8DmYjmEsp7DUZXvjUAsAwMTb22vE6+ubbW2XV+b7tv4uucUANHW7sc2VlNL1nPNRYTBHuR2dr7XoeiOd1vmH68X2nPOdU9Zw0J3CtpdSSldzzh0DY0apFgCAabZeCJhZWZw78bI/+vO/GT/687/5zvS7Fufia5Yuxtc8NB/ve+hifM3SfLxv6f7r9z5wIc6fm+lb7QAAAKPm7lb7+JbFC9M+bBQAAOjEkcLohrk0YnRrg/FQ8SvEYNXqxbCNfv1Z7Twior57kqAN/Z7B2SyEKi2cqc+frK8eClbSxSlBcX+/0BYwc8ZRbEbBASXrEC7zQs650x28j1rH9Wje9fulnPNzXWZ7KSKeKbQt9bKdI3QavHbUoK1RqgUAYOL99tv3Dp3bvLy8UFI1ABzQNQzmBNa6tD9yxDKPdWjbOEMNBxVDXSIirkX3Y/JRqgUAYCrd296NauGz+OUjAmYuzh4dDvNGtR5vVOvxy194q+P7M5WIr3rgYlx5z2I89QevxB9KX9V70QAAACPs7j0BMwAAwPGmPY6/McIPAEbc5nb7RQ7zrcCBSs9hAacL2mACjFmwRDFkY/5AyMagcl+2Cv1+zt2kKEGtX+FKEpKA0XQwXOZGr+EyLU9Ec6DUUT7VqTGldJbBbPs6rePlMakFAGDira5ttk1fOD8T73ngQknVAEydjsfALWcJPNno0r5yxDJXO7R1C6rp1UaHtieOmH+UagEAmEobte1DbSsL3QNm/o3f+9Vn2t5eI+K33roX/+Jzb8RTf++V+PLb9860PgAAgFGyu9c4NL7lAQEzAABAB0boAhPBcG3KUAzbWDgQtjEIAmYmwJiHSxTvHLU44D4fcbjfz5337yvDN+z9PcCwpJReifsDqp7MOT93ylXt3/W768C0nPNGNO/gXXSmUJeU0lKX7d0ch1oAAKbB6lqtbfryykJUznCerOITAYATyznfjs7H67dzzrfOsOqlLu1HhbR8W4e2jTPUcNx2H+vQtm+UagEAmErrtXrb9Ewl4sH52a7zP/UHr8Tf+ne+Nf6db78c//o3vie+8b2XTj1Ysr67F5/94lunWhYAAGAUVQs304yIWBQwAwAAdOBIYTRzKRplFwDA8TaHHDiwJWCGkm0WTjzPz/XzX8nO//4UA2YunD8Xlbp/lRguATPAJCqEyzxxxkFl++vpFNpy0PMR8WyHZc+y7U4DtF44wXKjVAsAwER7rRgwszxfUiUAU+vxaB4Df7g1/eMRceOM6+wW0vq5I5a52qHtqECaXmx0aFs6Yv5RqgUAYCqtV9sDZh6an41zM90v561UKvHHv+V98ce/5X1t7W/f244vvXkvvrixGV968158aWMzvvjmvfjSm5vxpY178cU3N+Pe9uFrrnZ3XXsCAABMjrv3BMwAAAAnM+1HCm/G/YFD/bpY6CxWonlh0WPhAiOAkdZoNA6lPM/PDvbP6tbO7vEzwQBVCyEbi0MI2Sj2+wvnZyLqXWZmTIzfRVqb272EK41ifiVAuwPhMhsR8WjO+bhgmKPWdW3/9QnW80IcDnV5IiKeO+32I+LJDm3Pn2C5UaoFAGCira4XAmZWFkqqBGA65Zw3IuLp1uPMUkpL0T1g5qjg1m7LDExK6UqX8xWjVAsAwFRaq7Vf/LG8OHeq9TxwcTYeuDgb3/jeBzq+32g0YqO2HX/0B34mvrCx+U77bmP8rl0AAADoprp1OGDmkoAZAACgg2k+UtjIOb+r7CI6aV2QdSciHiq5FAC62NrZi+J1BgtdwjYafQobqO+0301HhAHDtlkImJk/MmDmmB5aOVkPLvb7C+dnTr0uOK1aoe93298DjIOU0kvRDJe5E81wmY0zrnJ/cNrt42bMOW+klF6IiKcONF/rNv8JFZe/nXMeq1oAACbd62ubbdOXlwXMAIy5bsfPG6c4Dt44Yy3HuRLNcyAnsTHAOiJ6qwUAYOKtV9sDZlYWThcwc5xKpRLLi3MxV7jepCFgBgAAmCB3t4o3Tz4X52ZcYw8AABw2zQEznyq7gG5ag5x+PNoHOQEwQophAxGDDxyo7+4dP5OgjTEzXherVOvtJ54Xh5BqXuz3xQt+YBgGGzAzXvsBYLy1wmX2B4HdjIgPp5ROuvjSgdfvak1fObC+kw6QuhGF8x0ppWdyzs+dtJADy12Pw3cc/0gPqxilWgAAJtbqeq1t+vJKfwNmfvH1jfjqhy7G+5fnY2Fumj/6BBia7+nS/kK3BVJKxWPmfnujS/tSsWGUagEAmGZr1e226eXFwQTM7CuOq9zzUT0AADBBigEzw7jOHwAAGE/TfLSwUXYBx3il7AJg7AnaYIBqhaCNiIiFfp2E63KHnPpOe9CGQOlxNN4/tM1Bhmx06fdb2wJmKF9xnz8/e7/vj/dvNTBNCuEyERHP9HkTL59kplao7o2IePZA8/enlF7IOW/0uM1nC9Mv9HKn9FGqBQBgUm3t7MZvvXWvre3yynxft/E3furX42/81K9HRMS7L83F+5cX4vLKQlxenm89L8TDKwvxNUsXY/acc0sAZ9EKZ7ne4a2NiPjoEYsuDaKeU1oqu4BRkFL6ixHxF4awqcHeoQMAGFvrtXrb9MrCoANm2j/d35UwAwAATJBqIWDmgYvTPGQUAAA4iqOF0XXSO38DTIYu4RKjqhi0EXEwcKDHr+WEYUjFgBlBGwxbtRCycfCO0JVe+/0J1Xfb+/0F/Z4S1A6FKzmMAsZLh3CZQTjxeYyc83MppW+L+wPSliLikxHx6EnXkVJ6PiIO3nH8Vs756ZMuP4q1AABMoi+sbx469Xt5ZeFM67ww2/380O/crcfv3K3HZ1Y3Dr03U4n4mofm4/LKfHz7163En/0DHxj43dEBJlAxYHXfjVOEtQ7DStkFHDBKtUREvCcivqnsIgCA6VUMmBn0Mbp71QEAAJPs7lb7tc6LF2R/AwAAnRmhO7rWyi4Axsmggg0YpPH+1L4YNnDh/Eycmxns11QMmHG3XYatGKy0MDf4E89b2+3bFKxEGQ71fR+6AGMkpfRiDD5cJiLidi8z55yfjIibB5quppReSSktHbdsK9DlqYPbzjk/0cv2R7UWAIBJs7q+2Ta9tDAbD16cPdM6H//d7z3VcnuNiC9sbMbP31mLv/XTvxH/6Yu/cKY6AKZNSula3A9oPeiFnPMLxyw+SuEqo1QLAMDUWqsWAmYWzna+oFeuNgQAACbJ3XvbbdOXLriZJgAA0JkRuqPPxU0AI6gYMDOMoI36bnvAzJyAGYas2O/nz9TvTxbItNWh3493PNUUmoDbgB3a588KmAHGQ0rpenQe+NV3Oec7p1jmyYi4caDpakSsp5SeTSldOThvSmkppfRUSmk92gNdXsg5P3qqoke0FgCASbK6Vmubvry8cOZ1ft+/+bvjr/3vvzn++Le8L7714aV496ULp1rPT//al+Mrb2+duR6AKfJ8h7ZbOeenz7DOQd94Z6mHeUepFgCAibdeKwTMLM4NdHsVV5sAAAATrFq41lnADAAA0M00Hy0slV0AAOOrVt9pm16YG/yf1PpOe9DGxfMzEbtdZoY+29trHArZWCyh3184L9iD4ds8FCp2RN+fgEAdYKJcOX6Wvug5XGZfzvm5lNLNiHg27ofhPBMRz6SUIiI2ovM5nFsRcSPnfPu02x7lWgAAJsWhgJmV+TOvc+78TPzp3/+18ad//9e+07ZZ343X12uxul6L196oxer6ZqyuNZ9fX6vF21s7Hdf16dfW4zt/71efuSaASZdSejEOn2e4k3N+4oyrHqUb7oxSLQAAE2+9ut02vbIw2ICZokajMdTtAQAADNLb99o/D10UMAMAAHThaGF0bZRdAADdFYM25ueOCL3oU9bAViFoY+78TIQb7I63MbpY5d7O4TSjhSP7fa8dv/P3omO/hyHa2d2L+m57Pzxynw8wQnLOz0XEc2XXcZyc852IeDIiIqV0PSK+J5qD1q5EM9BlI5p3Eb8TES9FxM3WMhNdCwDAJFhdLwTMLC8MZDvzc+fiG977QHzDex849F6j0Yg3N7djdW0z/th/9TOF+jYHUg/AJEkpPRX3g1j33Y6Ix3tYzVr/KurJRoe2UaoFAGBqrVXrbdPLi4MNmHGvGAAAYJJVCzfcuCRgBgAA6GKajxbG5e5TS2UXAMBhm4WAmSODNnrWOWijGHAwd07QxtgZ46tVqls9Bsz0Sb0QMHOhY8DM+H5fp9IYBStFRNS2B9z3x+z7ATBoOeebEXGz7DoiRqsWAIBxtbrWHuByeWUwATNHqVQqsbQwF0sLc/GvfcO745//y9955z13Kwc4WkrpWkQ8X2i+nXN+tIx66KuvRMSvDGE75yIiDWE7AMAYube9G5uFz+JXBhwwAwAAMMkEzAAAACc1zUcLV8ou4Cg551cjQnIAwIiq1dtPwJ0tbOBk4RjFoI3ZjkEbMBjFUKWIiIW5wf8rWez3c/o9Q1Y7Jlyp0iUUrKMxDpkCAACA01hdr7VNlxEwA8DppJSuRMRLheZbOecnTrG6jbNXdCprHdo2hl1ES6daSpNz/sGI+MFBbyel9J6I+PKgtwMAjJf1Wv1Q2/LC7FBrkDkLAABMkrcLATOLAmYAAIAupnmE7lLZBQAwvmqFu+gcDNroKWygB4eDNgQVMDzVQqhSpRJxcfb+v5I99/sTBm1s7bT/rgmYYdiKgWIRwwlXAgAAgHH31r3t2Khtt7VdXp4vqRoAepFSWoqIVwrNz50yXCaie7jK0inXV/SuLu0bHdpGqRYAgKm0Vm0PmJmpRDx4cbABMxU3hAEAACZYtRAwc0nADAAA0MVUj9BNKX2o7BoAGE+b9fbQi/m5cwPf5qGAmXNT/WecIasV+vzC7LmhXHxT7PcXzg/+dw0OKvb98zMVQUcAAABwAqtrtbbpSiXidwmYARh5B8Jllg40P5lzvnHadeacN85W1andKTaMUi0AANNqvdoeSLu8MBczM8MNgGkM6AZiAAAAZRAwAwAAnNS0j4y8XnYBQH9UfODLkHUK2xi0+m4xaGPa/4wzTLV6+0nnhX6fdO6yG98qBiudn4lKxT6f4dncHn6gGAAAAEyC1bXNtumvfvCi8GCAEXcgXOZKq+lORDySc77Zh9VvdGhb6cN6I9rDcA5a69K+0aGtrFoAAKbOWq3eNr28ODfwbQ43vgYAAGC43i4EzCwKmAEAALqY5pHplYh4OqX0tWUXAsD4ORS2MYTAgXohaGP2XIc/4xWXQ4yX8QlKORSqNKSQjWK/F6w0jsZ7v1RW3wcAAIBx9/p6rW368vJCSZUAcBKtcJlPxv1wmdsR8WjO+U6fNtFpPUt9WnfHcJic88YY1AIAMHXWq+0BMysLgw+YKWqMzyU7AAAAx6oWAmYuXRQwAwAAdDbNI3Qb0Rzt+mJK6YGyiwFgvD61LwYOzM91PwHX6DVcocsVDMWgjTlBG2NofIM2Not9fva4kI3+fK31XQEzlGvzUKDYcR+49Nr3x+vvHwAAAJzUa2vtATPvX5kvqRIAjnMgXOZqq+lWzvnRPoei3OrQ1jGM5RSWTri9o94rqxYAgKmzXmsPmFlenB34Nt2zCwAAmGTVrfZr/S9dcENNAACgs2kfoduIiMci4vMppe8quxgAxkcxYGZh7gwn4E54BcNWMWjjnCsfGJ5qIWRj8cJZU81P2O+3TxCs5CogBqj4gcvx4UpH0VcBAACYHquFgJnLywslVQLAUTqEy7yQc36ix3VcTym9lFJ65ojZXurQttTLdo5wpUPb7SPmH6VaAACmznq1EDCzMDfwbRYvLely/y8AAICxs7fXiLtb/b7WHwAAmFTTHjAT0QyZWY6ImymlN1JKP5xS+u6U0teVXBfAZBvzQIjNfgbMnFB95wRBGzAgZfT5iIh6MVhJv58A43WVVm27ve8vFhL9K2P29QAAAMCwrK5vtk0/vCJgBmBEHQyXuZFzfvoU63giIq4dM8+nOjWmlDoFsvSq0zpeHpNaAACmzlptu216eXHwATMAAACTqnitc0TEJQEzAABAF9N8tFBMNqhEM2jmqdYjUkoRERsRcaf1eD7n/NPDKxE4rb1GRYIWA1Wrtyc8L8wd/JM6mLCB+k77iT8BMwxTdevogJmzR0Z1/r3Z2tbvKddmYX8/PzfNh1AAAABwMo1GI1bXam1tlwXMAIyclNIrcT9c5smc881Truqx1vPtbjPknDdSSnficADLlWhej3EqKaWlLtvr+rWMUi0AANNovVpvm15ZGHzATKVwZYtbyQAAAJOiurVzqE3ADAAA0M00jtD9aEQ8GhFPRsTTEfFcRLwQEbeiebHTq9EcI73/WG7Nfz0632kKgClUqx8dtjEI9d29tum5c2eP9KBkjfG5XKW2fVSo0uAc7veD/12Dgw7t72f1QQAAADjOV97eiq2d9vM6l1fmS6oGgE4K4TJPnDEEZX89x4WzPH/Esqf1WIe2F06w3CjVAgAwVdYKATPLi4MPmClqjNE1OwAAAEd5+97hgJlFATMAAEAXU3e0kHN+MyI+3XocKaX0gYhYimawzEpEvDLQ4oAz8IEvw7W53R44MD+MgJnCgIy5851y4oTOjLTK+P58alvDD1WKiEMDkS507PcwOJslBIoBAADAuFtdr7VNz52bifc+cLGkagAoOhAusxERj+acjwuGOWpd1/Zfn2A9L0TEs4W2J6J5Y6DTerJDW6fwmFGuBQBgqqzX2gNmVhZnB77NMb5kBwAA4EjVrfaAmQvnZ2L2nGvuAQCAzqYuYKYXOedXWy+PDaMBYLpUBxq20TkwqRgw46Qfw1Trd8jGCa/cKQbMdA5WgsEp9v2+B4q5KxoA9N0//5dfic99+W7827/vffGeBy6UXQ4ATKXVtc226fcvz8fMjJFcAKMgpfRSNMNl7kQzXGbjjKt8uvV8+7gZc84bKaUXIuKpA83Xus1/QsXlb+ecx6oW+m+zvhv/8Be+EA9cnI1/85u/OipGlAPASCkGzCwtzA29Bp/UA8Dke6TyhfjQzKdjNnZiMy5EvPKViNnFiLmFiNn5A69bj7mFZts5w6wmwsZqxM0/G/Ge3x3xR/+mn+uUemNtLfIn/26snLsX6Xf/3qi865GI5a+LmFssu7S+ulsImLl0oXN/f09sxL957n+NB6MW766uRLySW/vC1v5w7tL9/eH+69l5iZ3j5Bd+LOJn/8uIP/i9Ed/83WVXAwDAiHKEDACnsFlvPwl3dNjGcSfUTnbCrRgwI2iDYaod6vPH/BvZhxPJjUZDv58EY/6hQrWn/X0c/fWO+fcCAMbB3//fXovv/4lfioiIH/jp34h/+pf+UDx4cfB3PgUA2q2u1dqm37+yUFIlABzUCpfZD0G5GREfTimddPGlA6/f1Zq+cmB9d064nhvRHuoSKaVncs7PnbSQA8tdb9Vw0Ed6WMUo1UKfNBqN+FMv/Fz8wutvRkTEv/8HPhB/9Y99U8lVAQD7Nuu7cW+7/VqQlSEEzPi0HgCmywcqX4p/MPdX4lLl3v3Gf/SjJ1v43FwhgOaIMJrj3p+dL8y7EDHT55vccdjmesTf/Obm69dfjvj0j0b8Z2+WWxNDt1nfjdd/8I/Gv7r72WbDLx5489J7I5Y/ELHygYiVK/dfL38gYmFl7K73PRQwc/Hwdf7ndu/FT8z9P+LyzFeaDW9HxD86ydorzQCa2YVWEM3i4ekjX19qBdYs3t8X7r8W/NRfP//DEf/j9zVf3/yzEfVqxNU/XW5NAACMJP+JA0CPGo1G1LZ329rmZwf/J7W+WwjaOCdog+Gp1dv7/LEhG71qHL431Pbu4bYLHQNmxuskPuNl81DfdwgFAKPsx15efef1G9V6/K1b/zL+73/UIDIAGLbXCgEzl5fnS6oEgH2FcJmIiGf6vImXTzJTznkjpXQjIp490Pz9KaUXcs4bPW7z2cL0Cznn2yddeJRqoX9uv7b+TrhMRMR//bOvCpgBgBGyVqsfalteHHzAzKEBoocvSQEAJsiHZj7dHi7Ti91683FvQIEk5y6cPIzmnfc7zbt4+P3ZhYgZ15fHS3/1cNu9NyMuPjT8WijNSz//Svzx/XCZoru/3Xys/vzh9y48eD9s5p3nK83XD7xvJH/HqoWAmcUO1zq/e+OX7ofL9KQRUb/bfFRPWWA37+wP94NrWoE0+/u2d0JpFgvzHRN4c/7i2IUE9cV+uMy+f/gfCZgBAKAjoyOBiVARLsAQbe3sHcrCWLww2DT5vb3GobCNC+f1e4bncMjG4O+gsLWze6htrmPADAzOceFK9sQAMFo+s7rRNv13f+7zAmYAoASr64WAmZWFkioBIKJjuMwg3DnpjDnn51JK3xYR11tNSxHxyYh49KTrSCk9HxFXDjTdyjk/fdLlR7EW+uNf/vbdsksAAI6wXm0PmDk3U4kHL7qUGQDor4U4ZbjMMOxuRWxuRWyuD2b95y/eD1qYXegeRtP2+rh5W6E25+dHMlzjkNs/erjt3lsCZqbMrV94Nf74aRbceiviS7/QfBSduxCx/LXtoTP7QTRLD0ecv3DWsk/lbiFg5tKFw8dY53drh9pKN6j9YWWmPaxr7tKBwJqFQijNpcPzdQu8mV2MOOf4FQCA8ee/WgDoUTFsICJifsBhG/XdvUNtHYM2pjFpeayNz+2QqvX2E88LhWTzygC+lvrO4X5/4fzgg20YsGJC14grI1wJAOifYlAnADAcq2ubbdMPj0jAzLmZ9vOnG7XtkioBGJ6U0osx+HCZiIjbvcycc36yVdt+sMvVlNIrEfF4znnjqGVbgS5PHdx2zvmJXrY/qrUAAEy6tULAzPLCXFSGcL1TcQuNMbpmBwA4u7XGpVh5/++O2N6M2K5G1GsR27WIejXG6VreE9m513xsrg1m/bPdQmoKYTTdgms6ztsKcjh/sT/XwldmIhqHr/dnetz5yt347BffjOh33svuVsTv/HrzcUgl4qHLEStfdz905mAQzYUH+lzMfYcCZk4Q4lmP2Zj7Xd/S2hfevb9f3B7BIJpeNfYi6m83H/127kIhoGaxMH0wlKbDfIcCb/q8/wMAgBMQMANMpAk7zcuIqRWCNiIOh230W8eAmXNjkABPwfie9Ot/yMbx34utjgEz+j3DVdtu3+fPD3h/DwAAAONue3cvvvRme8DM5eXRCJj5xvc+EP9z/so705/6zQFdXA0wIlJK1+N+aMpA5ZzvnGKZJ1NKz0TEs62mqxGxnlJ6LiKeP7jOlNJSRHy4Ne/SgdW8kHN++rR1j2ItAACTbL3WHjCzsjhbUiUAwDT53/Z+T/yRj9w6/EajEbGzdT9UoV47EEBTCKM5+P72ZmHeg+8XXk/ayIaBBlBUThBcs9j5/XdeL3YOlxHcMFVuvvJ65ze+/wsRb65GrN2JWHs1Yv3V+88br0XsHR4ncnKNiDdfaz5e/WeH31549+HQmeUPRLz3m84cPlMtBMwsXjj+Wuf1c++K937kk4ff2Nu7H8C1v49753X1wL6vw+v63fv7v7bX1eb0JAQ/7W5FbG71P8SrMtPavy3e35ftvz4YRPPO6w7zAQDACRkdCUwEp/smwBidOy8GbUREzM+eNWzjgMbhb0a9Q9DG7Lk+bpNydPhZj6pqIVhp4QQnns+qU7+fOz8T7ivNMNX6Hq5UND77AQAAADiJL25sxl7hcPfyynw5xRRcfXipbfo335iAO/ABHO3KkLbTc7jMvpzzcymlm9EMa9kPw3kmIp5JKUVEbER7iMu+WxFxI+d8+7TbHuVaAAAm1Xq1PWBmaWFuKNstjiceo0t2AIBBqlQiZi82H7HS//U3GhE79wrBNNUOYTSt9955XTti3gOvBxb0UpZG6/tUHcC6jTiZFrt7jfiJ21+IxU5vzi5EfNXvaT4OLbjTDJ/ZD51ZuxOx/vn7ATRn/X2r/U7z8frLhZoWI/7EfxXxzd996lXfvdd+nf+lC2e41nlmJuLCpeajnxqNiN36gf1a9f7j4PSh13fv7/c6va5XI3Y2j9/+qGvsRdTfbj4AAGDABMwAQI+qhbCBC+dn4tzMGU46nyARvVvQBmNmjNPvywjZqO926PfnZmJHIAdDVNtq7/vzZ+r747sPAAAAgJNaXWu/gO+BC+fjofnRuBt58W59e0aTARMu5/xcRDxXdh3HyTnfiYgnIyJSStcj4nuiGY5zJZqBLhsRsRbNIJuXIuJma5mJrgUAYBKt1dpvK7QypICZImcEAIChqFQiZuebj3hX/9e/t9cMVjgYRnMwhKZjcE2XwJpD825ORmjDvjG+hpve/Mxv/E781lv34pFef+TnzkesfKD5eKTwXqMRcffLrdCZV++HzuwH0Wyunb7g7WrES3/1bAEzhWudLw3hRrI9q1Qizl9oPvod6LW3d2DfVb0fPLO9H2JT6/66fvf+vvCd1wfeaxy+OTUAAIy7ETxiAIDRVqu3JzwfF7TR6EOggIAZytRoNE4RMHP2fr+13d7v587N+HxnLI33D624z1+cO+4Qary/XgAAADir1fX2u/ddXlmIipM6AJxQzvlmRNwsu46I0aoFAGBSrFfrbdPLi8MJmHFmAgCYSDMzEXOLzcfiu/u//v3Qhq5hNPthDQdfH5y3Nd87gQ6FeXe3+l9zV/4jnBYvfmq1/yutVCIeeG/z8bXfcfj9e28eCJ2503r9+ebzW1+IYyMu3/rCmcqrbhWudR7FgJlBmpmJuHCp+einRiNit34/oKtevf84OH3o9d0D+8sOr+vVyQrwAgBg7EzZEQMAnN3moaCNwf85re8eDpiZlS8zAcbjfkj13b3Y3WuvdTj9vv13TagSZdjcPjpcqTImv8cAAAAwLKtrxYCZ+ZIqAQAAAEbNWq09YGZlcXYo2y2G3zZ81A8AcLxBhTbs29s9JoymEGxzaN5WmMPB1/VaxNtfPLwtN0OYCm/WtuOnfuW3h7/hiw9FvO+DzUfR9r2Ijd88EEDzasRvfzbiN3/m/jxnPEC5WwiYuTRtATODUqlEnL/QfMRKf9e9H+BVr7b2edUD+78Or+t37+/jOr6uRrz9pf7WCADAxHLEAAA9qh0KmDnXZc7+qe+0B8zMnqvETMcT3U5+j7bx/PnUtnYPtS2etd+f4IOarUK/v9AtYMaHPgzI9u5ebO+2f2gzP4R9PgAAAIyz14oBM8sLJVUCAAAAjJr1anvAzPLCXEmVAABQuplzERceaD766T97qEOja42nwT/8hS8cGndRutmLEe9Jzce+3/5sxA//qwdmEjAzdQYR4NVx3wcAAId1GaULAHSzWULATDFoY+6cP+ETYUxuh1TbPhww0/eQjQ7fi0P9vlvADAxIMVAsYjj7fAAAABhnq+ubbdOXVwTMAAAAAE3rte226WEFzBSHEzfOOIATAIAx42aWU+HFV14vu4QT6m9/rBYCZhYFzAAAAEcwSheYSA0J0wxQrd5+Aq4YtFEZQGjI1k57yIGgjTE1ph9ObBb6fETEwlz7ief/P3v/Hh3Jddj3vr9+AuieBwC+yQElDiltkRT1mBnZjmNbtjl07PgliTOSzzpecW58RPrYxze5xyczku28nFgy6TiPe44ck3KOk9x7k0gzetqWZXEk2VZsJ/LMUCJFipsSQZoYvkmghwN0oxtA9/2jGwRqVzXQj+qq6u7vZ61eQG10V+3BbFR37dr7t1MDGHjjJshP0O5HxPAM0nIDxSSpkAv5psuQBE0BAAAAANCpC4tlz/b1BMwAAAAAAICWpZWaZ3u2GE3ADAAAAMbdcI7hRufs85f00IWLcVejM0FzCvoYT7zsBMzsmSRgBgAAAEB7zNIFAKBL5TVv4IAbtNE/f+egG7RBwAyitFL1tvmJbFqZ9OBvtFRp94jZSkC4khsq1pUhDZkCAAAAAKBTK9V1veJMFJubnYqpNgAAAAAAIEkajYYWy95+g5mIAmbc2/WsBQMAwGhjpB4wfk6fW4i7Cp1LBYyJb9T9ZR3yBcxMEDADAAAAoD1m6QIYEdzxRXQqNW/YRl9hA5I6uY1BwMyoGo5zV7nmhir12+Y7067dp4bk94bh557vc5kU518AAAAAAHawsFT2lR2YKcRQEwAAAAAAkDTl2oZvLMhsIaKAGaaZAwAAjDcWCBxpaxt1ferBZzxlb7hqT0y16URAe+wxBbPRaGjFCZgphr6AMgAAAIBRwuxIAAC6tFJ1wjZyO4dthBGFUdtwgjYy6ZD2jGgN582Jcs3b6VzooNO5seu/tftgpYlsNME2wCY3XGlql/O9JG5CAgAAAADG2sJixbN9xd4JTXZyPQ0AAAAAAEbe4krNVzZTzMVQE0ZdAQAwbnjvx7CO4UZn/sS+pJeXvdcbP3zL1THVpgOBY417O1NV1jZUd166d5KAGQAAAADtccUAAECXKmtu2MbgJ0i4QRv5dkEbBBsMlyG5Y+WGbAymzft/GdV173GbwUoYOkN8XuokXCk1LH/IAAAAAABEYGGx7Nm+frYQU00AAAAAAEDSlMprnu1cJqU9ExENYx7eoQsAAADoViojNTacMj4QjrJTZxc822+/flpzs0leBCOgPTZ6G4+8XF33lRUDrrMY7wwAAABgE7N0AQAJMTwdVr6wjQgGOrgBMxNZ3sKH0pDenPCFbEQ0uMfX7nPt2v1w/l6RfJVIwpUAAAAAABgdC0vegJm5mamYatKZHsdpAgAAAACAHiyWa57t6UJeqbjG0tApAAAAMLrSjPUcJy8vV/Wlx170lB0/PBdTbToUeB3UY8DMalDADH8DAAAAANpjdjoAAF3yBczkBt8BV9vwBm3kCZgZEcMxWCWONi/5A2byGdo9ouW2/SkCZgAAAAAA2NHCohMwM1uIqSbBUgQVAwAw8oZ0vQcAAMbC0oo3YGa2kI/s2O5HhOEYsQMAAICepALGG9NpNLI+87VntV7f+oQ/kU3rx956TfCTk9IOgurRqPvLOrBS9Y51zmfSmsgy3hkAAABAe8zSBQCgS5VdAwf6HIIQsEKOG7QxQcAMIuSGbESVal51A2Zo94hYueZN9S8MJGCGYWsAAAAAgNGxsFjxbM/NJCtgBgAAAAAAxGfRCZiZKeZiqgkAAABGWiporGdCgkUQqkajoVNnFzxlP/zmq7VvMunXGkEBM72NJ16uesc6dzrOv8HfBAAAADC2mKULYCTR2YFB8gcOZPvbYQdJ2L6gjQxv4YiO2+an+m3zUkf3aWobbrASaeojoccbIHFww5X6b/t8PgEAAAAAjK5Go6GFpbKnbG6WgBkAAAAAANC0VPYGzMwW85Ed2x2eNURDFwAAANCtdMB44w7G62P4PPLsq3rs+UuesuOH52KqTRcC22NYATMhjPMHAAAAMNKYnQ5gJKR67ExBjIa4k9YNHCjkBx96UXMDZrJp9dqJiAQZktEqvjafG0CbD/hdVNe8x222eyA6btsvRnC+BwAAAABgWL2yUvNdS8/NTsVUGwAAAAAAkDSLK96AmZlChAEzLAgDAAAwPgLnKfB5cBSdOrvg2b5uekrffeNlMdWmGwHtscd5BStOwMweAmYAAAAA7GLsrhqMMT8o6aSko5JKkj5krf2tWCsFABgq7iSJqV0DB/rvkK5tBAXMDOZYGKAhDVYqV52AmYkOQjZC+Le67X6i1e6H87eIYVRZ6/Z8L9FCAQAAAADjamGx7NnOplO6Zj8BMwAAAAAAoKlUXvNsRxkw42oMyaJQAAAA6EEqaJw9n/9GTXV9Q5/5+rOesjsPXad0egjG8Qa10UbdX9aBZQJmAAAAAHSp3ez0kWSMuVPSA2qGy6QkzUi61xjz7lgrBgAYKm7ATKGjwIH+1NadgJnMWL2Fj7DhuFlRXou+zUtSdT04YAaISrnmvekS1PaH4DYUAAAAAACRWFiqeLavnZ5SZhgGcAIAAAAAgEgsrtQ82zPF6AJmhnRNKAAAAPQiFc04Z8Tri9980RdieefhAzHVpkuBFyi9zStwA2aKBMwAAAAA2MXYzNI1xuyXdKq1mZL3yuunoq8RAGBYVXyBA4PvhPMFzBC0MaSGc7RKuRp9m5f8ATNt2z2jgBJueP9//IFi3HQBAAAAAKCdhcWyZ/v62UJMNQEAAAAAAEm0VPYGzMwWczHVZFiWhAIAAL1K8W4/3m78AX9ZJrpwQ0Tj1NkFz/Z33DCr111WjKk23QoYW93o7by14ozz3zPJWGcAAAAAOxun2el3bfue3iIAQE8ajYbKa27gwOBTzgmYQZz8IRthtPndQ0fcdj9Bu0fEylVv25/KDeB83+MNIQAAAAAAksYNmJmbnYqpJgAAAAAAIIkWV7wBMzOF6Cb5snYRAADjrTHEC+WhB/k9AYW0gVHywqur+tPHX/KUHT98IKba9CDwAqW38cTLbsAMi2kCAAAA2MU4XTXcoebV1pOSDsp75XVfpzsxxnys9doPWGufCrOCAIDkq67XfVkAbthG96n3HQRtbBAwM5KGJFiiXPN2PBcDOp77X+3B/3qClRC30APFGLEGAAAAABhhC0vegJkDM4WYagIAAAAAAJKm0WhoqewNmJktRhcw4xqSITsAAADoBWM1R94nzz+j+rbP9IV8Rn/7tmviq1C3UgFj4nu8SFledQJmJsdpqigAAACAXozTLN0jra+HJX1C0kVJ85Lea639Uhf7Od56TIdaOwCh4v4vBqVc2/CVTfUbONABN2hjIpNWipEOw2dIb1i47T6KNi9J1XXvcfOZcfroiiSoOOFKhQluugAAAAAA0M7CYsWzff0sATMAAAAAAKBppbahtQ3vWKeZQnQBMylnATBGXQEAAIyygPHaQzqGG36NRkOnzi14yn70tmtUHKoxvgHtsce5ISvuQrJD9XsAAAAAEIdxumqYlrRkrb2oZkBMohljbpD0hKS6tXac/p+AnqS45Tv8hiQspex0wElSIT/403TVCZjJZ9sEbdD5jQFwA2aKE9EEzPiClXLRHBeDNhzne8nf9gu0QQAAAAAAAq1v1PVsyRswM0fADAAAAAAAaFlaqfnKZooRBsw4Q6oaQzJWDQAAAD1IBYyz5/PfyDj/dEnzL614yo4fmQt4ZoL/zwPnfPRW30ur3vkteyIa5w8AAABgeLWZnT6SSmqGzAyL6dZXkgIAIEHcsAFJmtolcKARwqm8ttFhwAwwAG6w0lQumuw7X7BSptnuCRVDVCpuwEy+g5sufHoHAAAAAIyh5y6uar3u7bOZm5mKqTbtTea8/aqLKzXf9T8AAAAAAAjfohMwk8+kVezkHnxI0s4EzjoTjAEAAEZXdsJfVlmMvh4YiNPnLni2X3dZQe94/UxMtelVwGDjHq9RVqpuwEyuzTO5BgIAAADQNE6z089KkjHmZ+OuSJdKcVcAALDFDZiZyKaVSQ8+TaC27j3uZtAGEAW33XcUsrGbwOR1r5obMEOwEiLmtv2pwLbPDRcAAAAAABaWyp7tQj6j2QhXIe/Um67Z5+nPXa839NCFUnwVAgAAAABgTCyWvQEzM8WcUh2MHQmLO7yrzq1+AACA0TUVEDbSqPvLMHQqtQ39wdef9ZQdO3Qg0muLUATWt9eAGe9Y5+JEdEGeSJi/+Q/irgEAAACGxDjN0n1AzYjP+40xr4u7Mh2YbX0lJhcAEqRc8yY8Fyey4R8kIH3aH7RBxx+isVFvqOq0v4F0PAe1+w3vcScImEHEVpxzfiE/gHM+ATUAAAAAgBFwYbHi2b5+tpDIgZx7JrJ6/WUFT9nzr67GVBsAAAAAAMbH0ooTMFOINpg27fRT1APGqQAAAGBEpBhvPKr++JHndam6NbY3lZLuPHyg8x0k5v5lePVYrnrHOu8ZxPwWDIfZG7zbB74jnnoAAAAg8cbpqvl062tK0jljzFvjrEwHDsZdAQCAX6XmTXieyoUQtNFBR6UbtJHPpkUoAaLghipJ0tRAQjb8qmtB7T5IUjr7ESgxN2O6557zC/l+z/nD+7sAAAAAAGAnC0tlz/aBmUKbZ8Yvlxmn26MAAIyfFH3xAAAk0qITMDNbjDhgJu0EzNQZdwUAADCyggJmCBgcCafOLXi2v+emy3Xt9FRMtQlZj22UgBlscfvGOe8BAAAg2NiMoLTWPinpE63NWUnnjTG/bYx5fXy12tHdcVcAAAZrOAf2lTsKGwi/I6a2TtDGaEp+p53b5iWpGNDuU4No906w0kQ2hEAnoEO19brWnQFl/QfMAAAAAAAwmp5e9AbMzM2OyEBOAAAAAAAQilJ5zbM9U4g2YMYdUUW+DAAAwAhLM9ZzFF1YKusvnnjFU3bs8IGYatOnkBbvbDQaWnECZooEzAAAAADYxbhdNZyUdKeas7lTaoa43G2MmZd0XtK8pFfav9zjHmNMaQB1nJZ0pPUVQI8ahGxgQCodBcyEzxcwwyq7Q2r4zk1BATNTcbX7tsFKQPjc870kFfLjdvkEAAAAAEBnFtyAmZlCTDUBAAAAAABJtFiuebZnirlIjx/S/E0AAAAMBT78jaJPnn9GjW1BkXsns/pbt14dX4VC130KZjVgMc09BMyML/fCt0GyKgAAAIKN1VWDtXbeGPNeSR/XVsiMJN0o6WAXu0pJOhpy9dz9AwASqFzzJjzHFbQxQdAGIuKmmmfTqZACjnb/uFNd9wZ80O4RpfLauq8sqnM+AAAAAADDZmGp4tm+fpaAGQAAAAAAsGVpxRswM1vIx1STJubZAQAw2lIp3uzHWipovDFtYpjV6w2dPnfBU/bjb71Wk7kRGtfbw0XKctU/1nnP5FhNFYWHOz+D8x4AAACCjd0sXWvtaUk/p+an5sa2R6rDx6ZOn9/LY7NOAICEWal5Ay8K+Q464EJYAqe24Q2YyRO0gYhU1rxtfiqfUaqTNt11u/d+9KnXG1rb8JYRMDMihmSUVtk530tSoaOAGbIiAQAAAADjpVLb0EuXqp6yOQJmAAAAAADANotOwMxMMdqAmRT38gEAGGvDMWoRoUmPUOgIJElffWpRTy+WPWXHDx+IqTYhCGF+ieRfSFaS9kwQMAMAAABgZ2M5S9dae7+kH5L0lPyhLrs9NnX6/F4eAICEqtT8YRtRqK4TMIN4uB3PxU5ClULghipJW+0+xcclRKBc9Z7vc5mUchn/ubfv9jgkgTsAAAAAALRzYansKzswMxVDTQAAAAAAQFItlb0BM7MRB8wAAABgnBAuOGpOnb3g2b7pyj1629x0PJUZmO7HE19a9Y7zz6RTLOg6ztzgIsaoAwAAoI2xvWqw1p6x1t4o6b2SzmgraGa3x6ZOn9/rAwCQQGUnYKY4kIAZf0dOzQ2YCQg5AAbBDVUqxBSqJBGshGiVa96bLlO5ENp+SCsOAAAAAACQJAtOwMxlxbyKrIwHAAAAAAC2WSqvebanC/EGzDRY3AgAAGB0BY3VJGhhaC1X1/W5h5/zlB0/fECpoR6TG04bdReS3TORHfLfC/rj/t9z3gMAAECwsR/daa09Len05rYx5oYdnp6S9G01P2Efl/TgAKo0Lekdkn5HfJIHgMSprHk74Qr5wb+VNhoN1TacgJlsWrWgJ9MhiJC5oUpTEQXMuKFKkjSRDT52g2w+DEB5zQkUY2IcAAAAAACBFhYrnu252UJMNQEAAAAAAEnUaDS0tOId6TQbccAMQ6oAAADGSDqasc6Ixuceek6VbWN6M+mU3n3ouhhrFIKQLlBWav6AGQAAAADYDVcODmvtkzv93Biz+e38bs/tw4PGmGlJvzGg/QNAAg1HplYnYRupkP8p6/WGL5A6n02HexCgjbLT8VxsE6rUdTe32zHuNPLquvdvTWq2+/UNf/AMkm44R2lVYgpXAgAAAABg2Cwslj3bBMwAAAAAAIDtLlXXtV73jguZKeZiqg0AAABGXopx9qPk9LkLnu3vf+MVunLvZEy1GaTuJ6FcWiVgBtvsMj8DAAAA2MRVc3Kda32djbUWAAAPN2CmkBt84EBt3R+okc/wFj4ShqDTrpNQpUEIavcTBCshQr7zPQEzAAAAAAAEetoNmJmZiqkmAAAAAAAgiZZWar6y2WI+0jowzw4AAGCMBAbM8AFwGD318oq++tSip+zY4QMdvTaV6A/9AYt39lDflap3rHNxgrHO481tV0n+GwAAAECcmKWbXIu7PwVAewEdLkAIKjGEbRC0MULc0SpDYKUWT8dzbcPb7lMpKZsevt8fhlel5k31L+RI9QcAAAAAIMjCUsWzPTdbiKkmAAAAAAAgiRadgJmJbFpTESzqBQAAgDGVCvismeiwEbRz+twFz/ZMIafbb74qptokz3J1zbNdnGCsMwAAAIDdMTs9uUqtr9Mx1gEYGimSVRGRFTdwIL97J1y/rdMN2pCkPAEziIgbsjHVcchGf2Ew1TVvu89n0koNYUAPhpcbrtRxoFjX7ZTPMAAAAACA4dVoNHRhsewpu56AGQAAAAAAsM1S2RswM1vMxz4GhDv1AAAAIyzwsyafAIfNRr2hT5z3OECP5AABAABJREFUBsz85NuuG415FCG10eWqd6zz3skdxvnzJzD63HZFsBYAAADaIJqyex9V87JqfpAHsdY+aYw5PMhjAAC6V3ECBwqdBg50w+nIqa23CZihwwcRcEM2ihPRrCDlBitNbLsZQMwMolDu8HzfXXuk9QIAAAAARsvFypouVb0BxXMzBMwAAAAAAIAtSytrnu3pQj7yOqS4Xw8AADA+UgEBJIy7Hzp//u2X9dzFVU/Z8SMHYqpN2MK5Pllx7tMWO1g8GaPMbVec9wAAABCMK4cuWWvvjvBYD0Z1LACIXMyr0PSq08CBruzyu6iub/jK8pl2ydvD+XtFcrmhSlOhhSrt3IFZXfMGzOSz0QTbIArD0VldqXlvuhS46QIAAAAAgM/Ti2XPdjolXTM9GVNtAAAAAABAEi2Va57t2WIuppoAAABgLMzcEHcNEILT5y54tm+5Zp9uvXZ/TLWJQA8hSMurTsDMBGOdAQAAAOyu3ex0AAAQwB8wM/hOuOq6N2gjnZKybQNmgHDFlWxe2/D+rU1kd2jz5CphAAYSKAYAAAAAwIhZWKx4tq/ZP6UcfZcAACBO3DcCACBxFle8ATMzhXz0lfCtgzQci+MAAACgB9e8xV+W4v7VMLlYWdMfP/K8p+z4kQMx1WYAAhco7iFgxllMc+9k5+P8G3Skjh63XXHZCwAAgDa4QgYAoAsVpxNuKjBwINyemJoTMJPfKWgDCFllrbOQjdSA2/2OATPAAFQImAEAAAAAYFcLS2XP9vWzhZhqAgAAAAAAkmqp7A2YmS3GEDADAADGCrEJwHD7/a8/61mkN5dJ6Sffdl2MNQpbOGcp30KyE9EsJIuk8iWrxlILAAAAJB9XDhEwxuyTNCtJ1tqn4q0NAKBXjUZD5Q7DNsLkC5hhBeARkvxOu7ITshEcqhS+KsFKoyMwZT/54mr7AAAAAAAMk4VFb8DM3OxUTDXp3ETOe43/wqurMdUEAAAAAIDxsLjiDZiZKcQfMJP8ETsAACBMDSJnxkzQ/zefAIfJqXMXPNu3v+mq0Q+qbHTfRpdXCZjBDnpoUwAAABgPXDkMgDHmbZLeJ+mYpIPOzySpJOmspI9LOmWtfTXaGgKjj8tgDEJ1ve7rY4kkYGbDDdog5GB4Dd8NKl+yeT6aj49uwMwEATOI2ErN2/ajON8DAAAAADBsnnYDZmYKMdWkc7deu09fXyi9tv3VJ5d01/fFVx8AAAAAAEbdUnnNsz1TyEVeh+EbsQMAAACMp2+9cMlzL0+Sjh85EE9lBiVw8c4eAmaccf57CZgZb0O6KCwAAACix0zdEBlj3mOM+Zakc5JOSLpRzftS7mNG0lFJ90taMsb8tjFmXzy1BkZDikgZRMAN2pCkqY4CB7rtqPG251rboA3aPQavsrbh2e6szWv3Dkr3542d232egBlErFJz236nN126POeTDg8AAAAAGGIXliqe7bnZ5AfMvPXAfs/2M6VKm2cCAAAAAIAwLK3UPNszxXxMNQEAAACQdKfOXfBsX7F3Qu984xUx1WZQwgkCcRfTLBIwAw/GqAMAACAYM3VDYIx5vTHmrySdkjdUprHDY3vgzN1qBs38bPS1B4CEGIIJ9mUnbECSCh0HDuxk5w7CroI2SB1GyFaq3nZfDKXN7666Q7snVAxRcM/5xTbhSl21R87RAAAAAIARUq839MwQBsxMZDsMUAYAAAAAAKFYKnsDZmZjCJhJOffrh2CoGgAAAHoVNFaTD4BDYX2jrk+ef8ZT9p63X6dsZgymP/bQRpdX3YAZ7oOOtV0WAAYAAAA2jcEV1mAZY26X9ISkQ/KHyuwkKGzmfmPMbw+utgCAflTW/AEzU7nBd8LVNrxBGxM7BcwAIas4yeZTbUI2wuYGKzHxB1Fzz/mFiNo+AAAAAADD4oVLq76+y7nZqZhqAwAAAAAAkqheb2ipvOYpmylEHzADAAAAIPn+9PGX9PJy1VN27PCBmGozQCEtWOkuJLt3IhfKfgEAAACMtmzcFRhmxpj3S/odeYNlgmy/8gt6TmPb8+42xsxaa38qtIomiDHmAUmzku6T9HFrbanH/RyUdFTS3ZIWrbV3hFS/6dZ+3yfpYOsxLakkab71+Ji19nQYxwMwXMo1bwfcZC6tTDqczr2dVJ2gjTwBM4hIo9FQ2QnZiCrZvLruPW5+x+T5wf8dIkRDkoZe9oUrcekEAAAAAMB2T79S9mxP5tK6Ys9ETLUBAAAAAABJdGl1XRt17ziB2SIBMwAAAAD8Tp294Nl+69y03nDV3phqk2zV9Q3fYiBRjfNHUrlzKoZjzD4AAACixyzJHhljblczJEXyBsRsKkladL6fVTOsZPPrdpsBNSlJx40x89baXw652klwRM1/+32S7jPGzEs6I+mctgJcFjeDZ1pBMtNq/s4OSjqsZgDMwW377DvspRUsc4+kuwJ+XGrV4VDrccwYs3nck9ba+X6PD2A4uGEDhTZhA6mQO2JqbsDMjkEbQHhW1+q+LJBCLqZ2T7ASIuaGihXy3HQBAAAAAGC7haWKZ/vATEGpkFbbAwAAAAAAo2GxXPOVzRSiD5jxT7Njoh0AAMDo4n7VMFpcqemLj73gKTt++EAfe0zyZ/6ANtrlAp4r1Q1f2Z4JpomONfde/ZAsCgsAAIDoceXQA2PMDZIekDdYZl7N0JQz1toHO9zPfjXDUu6Q9F41Q0w2Q2ZOGmMesNZ+OdzaJ85BBYS6tAJcOjEv6f39VMAYc0zSqW1FJUn3S7pve3hMK+zmbjXrOy3pmJphM/daa0/2UwcAw6HihA1M5aIJGyBoA3FZcUKVJGkqtJCNnROy3XY/QbsfYsN3o67RaMR2zgcAAAAAYFgsLJY929fPFmKqCQAAAAAASKolJ2BmMpcOcewJAAAAgFHx6Qef0drG1njyiWxaP/7Wa2Os0QCFsGjHStU/zn/PJNNEAQAAAOyOK4fe3Lft+yclnbTWfqLbnVhrL0r6ROvxc8aYE5J+Q1shM/dJemP/1R1Z5yXdbq0t9boDY8w9kk5sKzot6f1B+2yFzZxUM/xn++tOGGMOWWvv6LUeAIZD2QkbKAxqsIOTFFzbCA6YSZEoPPwS/n/oBmxIUnEimkE+VYKVEKPaRl3rde/f58DO+QAAAAAADKmFJW/AzNzMVEw1AQAAAAAASbW04g2YmS3kY6kHC7kDQDIZYx6QNKvmvImP9zovoLWQ7FE1F5NdDGtcvzFmurXf96m5sO5BNReqLam5UO68pI9Za0+HcTwAGGenz13wbP+tW6/W/qlcTLWJQ3cXKZdWvQEz6RSLaWLnBYABAACATQTMdMkYc7uanYQNSQ+qGXByMYx9W2vvNcackXRG0n5JNxpjftZa++/D2P+Iuddae7KfHbQCfTzhMtba45281lp70hjziqR7WkVHjTGnOn09Bq/huzBG8gzf/1G55u2E6zRsYNf2uEsCdc0N2sjsFLQxfL/XsRJC2niUVmr+ZPPJbKcdz/39W912P9HxcYH+BYUrFfIdXjrt+Hc+XOcAAAAAAAB2srDoBMzMFmKqCQAAAAAASKpFJ2BmphhPwAwAILGOqBnYcp+k+4wx82rOpTinrQCXxc3gmVaQzLSaoTQHJR1Wc27HwW377DvspRUsc4+kuwJ+XGrV4VDrccwYs3nck61FbQHEKWgcJwmDifbIsxf16HOvesqOHzkQ6jHqSik5y532P57YHedfnMgqtcMY5hRhI6OPZFUAAAB0KDnXRsNjM1Bk3lp7JKxwmU3W2vNqdpRufqr/QJj7HwFnJN0YQrjMUW39X0rN/8+uwmGstffK2wF9rBVag1hw4YvBKzuBA1MdBsz0yxcwk+XtG9Fw23whn1E6HU1ARm2Ddo/4uG1fkgoTwed8brgAAAAAAMbVwmLFs31ghoAZAAAAAADgtVT2BszMEjADANjZQTVDXe6T9ICkJyQtGWMaxphGa/tc62f3tZ67PVxmXtL7+6mAMeaYpCVthcuUJN2r5hyGlLV2xlqbknRjq7zUet4xSU8YY+4REoBxfcAwOXX2gmf7mv2T+u4bL4+pNsNhueoNmNkz0eFCmgAAAADGHjN1u2CM2a9mynRDUldhJN1opVb/nJohMweNMa8f1LFi1E0yd0nS/Wp2yt4RUqr3KWf77h734wbd3NNKRgcwgtzAgWI+mk44gjYQl0pAwExUquveY3vbPTf+MFiBATO56No/AAAAAABJV13f0AuXVj1l188SMAMAAAAAALwWV9Y82zOFeAJm3OWUGHkCACPpvKTD1tpSrztohcNsn2dwWtIN1tqT7hwGa+18q3xGzaCZTSeMMQ/0WgcMSjSLKwLoXm29rs987RlP2Z2HDigT0aKow2p51RswU+wyYKbBeXEEceULAACAzjBDvTvvbX09Y6392iAPZK29X1shLMcGeayY3N1K7j6sZrjLvWqGyJxufT3ZKr+xlfJ9d0jBMjLGnJA0va2oZK0908u+WnVyX0vqeAzo2kAU3LCNqYjCNmrr3oCZCQJmEJEVJ9m8EGaoUso5cze8HZi0e8TJPd/nM2llM521QbriAQAAAADj4Jmlitudo7nZqXgqAwAAAAAAEqtUrnm2Zwq5mGoCABhx91pr+w2XOSHpxLai09ba453s01p7Ut6Fa48aY9wFcQFEJmh2CaM7k+qL33xBS2VvMOWxwwdiqk2M3Juvu3DH+e/pMmAGI2iX+RkAAADAJq4eunOHmr0K90V0vNNqdlLeIelfRnTMSFlrz6uZFh6lDzrbH+9zf6ckHd22fcwYM91PBzWAZCo7gQOFtgEz4XbEVJ2gjXyHIQdAvyprnbb58IO+3Ha/Y8CM2xmKhEt+Z3W55r3pElWgGAAAAAAAw+LpxbJne7qQ095JJogBAID4cdcIAIBkWVxxAmaK+VjqkXLGljDPDgBGxhk1F77tayFbY8xReReZnbfWHu9mH9bae40x79DW4sLHjDEnrLX39lM3ABh1p85d8Gx/x+tn9frLizHVJiIhjH1fJmAGAAAAQI+Yod6dg62vZyI63gPOcdGnVufvtFP8QMBTuxHUHtwQGwAjoLLm7YQr5AfVCecdwVBzA2ZeC9pgpAMGa6XaecBM2HzBSjsFzAAh6zxQLIRh6oxaAwAAAAAMoYWlimd7bqYQU00AAAAAAECSLZW9ATOzMQXMAAASr5uAmJKk+yXdaK29o99wmZZTzvbdPe7npLN9jzGGuSAA0MaLr67qTx9/yVN27MiBmGozXNyAmeIEi2nCHdfOGHUAAAAEI56yOwclyVr7akTH2+zsnI3oeOMgqLP3fD87tNbOG2Pc4rvk7yAGsKPkd164gQNToYVt7BxQUNvoImgjhDRrRCnZ7b5ciypUyc8NVpogYGZ4DeF5aWDn+yH8XQAAAAAAEOTCYtmzff0sATMAAAAAAMBvccUbMDNTIGAGABDobmvtGWPMIUlHJN2o5qKys5IWJT2hZrDMmZACZV5jjDkh7wK2JWttTwsSt+YVnJF0dFvxPZKO915DAF1jrObQ+NSDz2ijvjWevpDP6EdvuybGGg2PFSdgZs9ELqaaIDHccx+LoAIAAKANAma6My1pKcLjLW47LvpkjJmWdMwtD6mTeV6tAKKWaWPMIWttX+E16F1jl8AOoBcrVW/gQCEXTcpzbd173HyGdOnhNVznpsGFKu2uut5FsBIQMjdcqdhVuNJw/Z0DAAAAANCLhSVvwMyB2amYagIAAAAAAJJsqbzm2Z4txhMw41/HnYl2AJBErbH3UY+//6Cz/fE+93dK3oCZY8aYaWttqc/9AugHQQuJ02g0dOrcBU/Zj7z5GhUnxnWqY3dtdNmZ27JngjkmAAAAADrDTN3ulBRt2MvstuOif0cCykoh7TsopOZoQBkGhKnciEJlzRs40HnYRn8ttEbQBmLiBswUuwqY2a3d+4fubOcGK01k6fRGdCprnYcr8RkEAAAAADCOnl70BszMzRRiqgkAAAAAAEiqer2hUrnmKZspxBMwAwBAEGPMUfnnhzzQ527PBJS5ITYAMPa+tlDSt19c9pQdP3IgptpErf/Rx8tVZzHNsQ3mwZad52cAAAAAm5ih3p15STLG7IvoeAe3Hxd9OxRQthjSvksBZXeEtG8ACeEL24ioE662QcAM4lGuuaFK0XU8+9p9ZqvdE+iBQXPP94WuwpUAAAAAABh9C4sVz/bcLAEzAAAAAADA69XVNdWd+WwzxVw8lWGwCQAg2N0BZef72aG1Nmjux1397BNAt/jwNwxOnbvg2b5+tqDvvGG2zbPhWnECZvZMEjAz9lLOua9BwAwAAACCMUO9O5udfccjOt7mcQiYCcc7AspKIe07KKjmSEj7BpAQlZgCB2rr7QJm6PDBYPlClSIM2aiuEayE+BAwAwAAAABAexcra7pYWfOUXU/ADAAAAAAAcCyu1HxlM4V8DDUJwLArABh7xphpScfc8jYBMd1y9zFtjAlaLBdAZPgAmCSraxv6/a8/6yk7dviAUm5ARj9G/L98edUJmIlo8WQAAAAAw4+Zut35mJpRtkFJ1YNwl5qXtA9EdLxRF9QpGxQM04tSQNl0SPsGkBBu4MBULp6AmYnMTm/fJK4jPHGFKklSbcNp9zsGzNDuEa6yk+o/lRvkTZcRv4MFAAAAABg5C4tlz3YqJV07PRlTbQAAAAAAQFItlb0BM4V8RpMRjbcCAKADQYvJlkLad1BIzdGQ9g0AQ++PH3lel7YFpKRS0p2HD8RYowRodDeeeNkZ61zMEzADd04FY9QBAAAQjKuH7pxpfT1sjHm3tfZTgzqQMebD2zY/PqjjJEUrAfyopDskHZQ0q2ZAy3zrcU7Sx621pT4Oc7CvSvbAGHMwpBRzYPSEmS4dETdgptCmE67vf5nTOVh1AmbyOwZtAOFZqXk7ngs7JJunUn12QLrtfo12P7K6vAESh/LaoMKVhu+9DwAAAAAA14Ulb8DM1fsmNZEdnslhbpDxS5dW1Wg0wl0REQAAAAAAaHFlzbM9U8jHVBMp5dyvT/7IBQBABKJevPYOSfeGtH/sIsW7/Xjjnk/inT53wbP93Tdepuump2KqTQxCaKPuOP89k0wRHXtuu+KtEAAAAG0wU7cL1tqLkr6o5szQ3zXG7B3EcYwxt0s6qeZH+fPW2lcHcZwkMMYcNMbcJ2lJ0ilJd6kZNHNIzUCYo62y+yQtGWMeMMYEdeb2qhTivoJEHmoDYHAqTifcVFiBA7t0ENY2CNpAPPyhSiFOFKLdI8EqbtufGJ5JcgAAAAAADNrCYsWzPTdTiKkmvbn5mn2e7ZeXa75/EwAAAAAA6N/SSs2zPVuML2AGAIAA7wgoK4W076CgmiMh7Rs9YI49hmFxxHHxTKmi//btlz1lxw/PDfy4jRFbJHJ51QmY2WEh2Sb+BsYP/+cAAAAIxkzd7p1sfZ2R9KQx5nVh7twYc6ekLwQcb+QYY05IekLNABlJul/NZO4brbUpNX/Hd8j7Ozgq6VwrlKabYw066OWVNuXTAz4ugIg0Gg2V1wYYtrGD2roTtJHh7XtkJPxmRdkJVSrko0k2X9+oa6Pu/d0M0yrYcA3fDRlf28910fZZ+QIAAAAAMOIWlsqe7bnZ4QqYed1lBRWdvt3nX12NqTYAAAAAAIyupbI3YGa6kIupJtzKBwAEClr0NigYphelgLLpkPYNAEPtk+cueIbQ753I6m/denV8FRpSy9VuA2Yw+rjwBQAAQGe4euiStfa8Meajkt4vaVbSvDHmHkm/Ya19tdf9GmNeL+keScfU/ETfkHTeWvul/mudSKfU7CQtSfqwtfZe9wnW2pKkM5LOGGPub73maOvHdxljjki6vfW83Uz3XeMRYIz5BUk/H8GhIk8BSDnJqsmObMAwWl2r+7JAOg2Y6bc9+gJmsgTMDK0hG61SrvUeqtTo499a26j7yiZo94hQN20/neJTBwAAAABgvDy96AbMTMVUk96kUinlsmnJuf4HAAAAAADhWnQCZmaL+Zhq4tdI+KJQADDujDHTas4buEPSQTXnbUxLmm89zkn6eIfzCNoZ9AK2PsaYg9ba+aiPC4ydIRuvPU4ajYZOn7/gKfuxt16rqYgW/k22zq9R1jbqqjpzTIoEzMA993HdCwAAgDa4eujNCUnvlbRPzTCYk5JOGmNOS3pA0hlr7VPtXmyM2admJ+dBNZOv36etBOztn+aPh17z5JhWs3P3jk46SVudv3cYY85p63d1SNI5Y8zhPjuHB2k27go4rpB0S9yVAIZRubbuKyvko3kbdcM2XguYocMHA1aueifZRNV574YqSd6AGTdUDAhbpRZP2wcAAAAAYBgsuAEzM4WYagIAAAAAAJJsacUbMDNTSE7ADAAgmYwxB9Wcm3FXm6dsD4W5zxhzRtJJa+35kKpQCmk/7RxUcw4FgMgx9jgJ/uqpJf31K957jcePHIipNjHqMwRppeqf27KHgBn4cN4DAABAMK4eemCtvWiMOSzp22p+2t68sjvWesgYs/n00raXTrfZpXtl2JD03p1CaobYorbCZXoJhjku6Ylt2wclnVIznXwnSQt6AeBKeFhKOWA120JMYRv5bUEbPiSuI0RusFKxm1Clrv+kt14QFDCzY7sHQrbinPMHer5P+PsfAAAAAADbNRoNXViqeMquv4yAGQAAAAAA4Le4subZni3GFzDjG6TLrXoASBxjzAlJ92wrul/NeQLz1tp5Y8y0pCNqLlK7+byjai5Ye7+19u4ujnVw92f15ZU25dMDPi4AJNqpswue7RuvKOrtc9PxVGaILQcFzEwyRRTMJQIAAEBnuHroUauT8ockfUFbM6KDPonPdLjL7fv4gLX2E31WMak208F7CZfZ/L3fL28q+VFjzF3W2vt7qM9iD6/pxvSA9w8gIpU1f8DMVG5QgQPeEQy+gJkMQRuIhhus1C5ko7dco/YvqnYbMEOwEkJWccKVQguYoa0CAAAAAIbcS5eqvr6buRkCZgAAQHKk6IsHACAxlso1z/ZMjAEzAIDEO6XmuPuSpA9ba+91n9Cae3BG0pnWfIJTagbMSNJdxpgjkm7vcI7CdN81HgHGmF+Q9PMRHCqaFT0BJNpKdV1/+PBznrJjh+foz+vBSjVg8eSBzW3B0CBZFQAAAB0iYKYP1tozxpibJD0g6Qa5iQDd2fwYf3yEw2VkrT0ewm7ukzdgRmqmkPcSMDPbf3UAjAM3aGMyl1Y63aYzs+uOmPadovV6Q+t17/4mdgraAEJSW6/72l5oIRu7CAyYIVgJEfKHK3HZBAAAAACAJD29WPZs57NpXbl3IqbaAAAAAACAJFtacQJmCrmYasJ6MAAwBKYlzUu6w1o7v9uTWyEydxhjzkk61Co+JOmcMaanhXAjkrS5C1dIuiXuSgCRIGghdp97+DnP+Nx0SnrPoetirFHCdNFGl6trnu1iPtN+bgvGGOc9AAAABGOmbp+stfPW2hslfVTNhICdrsja/SylZofo4VEOlwmLtfa8munk200bY07s8LLFwdVoR6WYjgsgZOXaumc7qrCB2kZA0AYBM4hApRaQbD7Idr+t/7K67j12Jp1SloCZEZL8zmq3/UcVrgQAAAAAQNItLHkDZg5MTzFYEQAAAAAABFoqewNmZgv5mGril/yRCwAwNjbH+G/Opdg1XMbhLn57UNKpDl6XtKAXABh5p85d8Gy/841X6Kp9kzHVZrgtV73jnPdMspAmpJ2ntAIAAABbuIIIibX2bmPMPZLukXSn8+OG83X7J/Z5SfdYaz864CqOmrOSjjpld0u6N4a6DJOXJD0awXEykkwExwEiU3Y64aZy0YQNVNcImBltyR2usuKEKklSYSLEdr/D0lC1dW+7zxMugwg1Gg2V15xzflcBM3TOAwAAAABG18JixbM9N1uIqSYAAAAAACDJNuoNlSprnrKZYnICZgAAiXG+9fWwtbbU7YuttfPGmPsl3bWt+Kgx5i5r7f091GfQi9pOD3j/AF6TUpLHaY+bv35lRV990nuKPX5kLqbaDL+Vqnecf3GC6aGQf35Gg3MgAAAAgnEFEaJWYvZxSTLGHJP0XjVTsA9qqzNwvvU4L+lj1toHo6/pSAhKJz9ojJlu07kcVBaFQXcyd8Va+xFJHxn0cYwxV0h6cdDH2UmDyd0ImRs2UOgibKCxQ5DGbqobG76yzbCNFJ3eQ2h4zk3lmr/tFboJVuqj3bsBMxM5AmaGWh9tIQ61jbo26t7zayHPZRMAAAAAAJK0sFj2bM/NTsVUEwAAAAAAkGQXK2u+uWyzMQbMpIZozA4AjBNr7fEQdnOfvAEzUnPR4F4CZmb7rw6AZGLcfZw+ce6CZ3u6kNPtN18ZU22G3/KqN2BmDwEzCMR5DwAAAMG4ghgQa+1pSafjrscYeq+CO4PbBb1Mh3Tcy9qUl0LaP3ZDsioGrFLzdsIVIuqEc4M2JCmf3Slsg8EQCEfZafP5bFrZTJhBL25b3TqPV512nw/1uMDOytWAcKUuQsUAAAAAABhlT7sBMzOFmGoCAAAAAACSbHGl5iubLuRiqEkwhhsCwOiw1p43xpTknRcwbYw5Ya29t83L4lpEthTTcQEgNvV6Q584/4yn7F1vu04T2UGPzR22D/2d13e5SsAMgjCXCAAAAJ3hCgLDqtSmfDqo0FpbMsYMrDI7mI/joMBwGK7Oi3LNGzhQyA2wQ3PbCIbuA2aAcPjafIQBG267n8h523xq6Dr8MUzKa/6AmamBtn/aMwAAAABgeFxYqni252YJmAEAAAAAAH5LZW/AzJ6JbAQTSNtLDddQNQBA985KOuqU3S2pXcAMml6S9GgEx8lIinQyB2/9UCpFqmBC/MUTr+iZkvce47HDB2KqTZKk1OsYYjdgpkjADCT/hS/nQAAAALTBFQQiYYw5KukOSa9Iut9aW+pzl6+0Kb9xh9eU5A+gme2zHpvc/W6KK90cQMgGGraxwwiG2kZAwEyGgBkMXrnm7XgeaKiS5A1Wcto9bR5RqjhtXwqz/XPbGgAAAAAwvNY26nruonfw5/UEzAAAAAAAgABLK96AmelCLqaaBGuwGAwAjJqgRWEPGmOm28xbCCqLQqLmFlhrPyLpI4M+jjHmCkkvDvo4O2kwdg+IzalzC57tN129V7deuy+m2oyGFSdgZg8BMwjEdS8AAACCMVsXA2eMuU/SA5JOSLpH0pIx5tCADrdTYExQx/H0II8bQpAOgISoOAEzUzsGzITXEVNb9wdtpFhSBxHwhSrt0vGc6rbd79COq+veY+d3XcGKvwmEx237+WxaWUKOAAAAAADQs6WK6k4X0NwMATMAAAAAAMBvqewNmJkt5mOqCQBgzL23TXm7oJfpkI57WZvyUkj7B9CtBkELcbhYWdPnv/G8p+z4kblY5kOMUgtYJmAGgZhTAQAAgM4wUxIDZYw5KOmugB+dGtAhg0JkNp0JKNspkKYb0x0eD8CQ8oVt7BgwEx5fwEyWt25Eo1yNp81L/nY/QbtHhOI63wMAAAAAkHRPL5Y923sns9qfsNXHAQAAAABAMiyurHm2ZwrxBsywnhcAjLxSm/LpoMIYF5Hdaa4DgFDxATAJ/vCh51TdNi48m07pXW+7NsYajQY3YKbYScAMIUujz73w5f8cAAAAbRBRiUE72qb8YJ/7bZfq/cQOr3lA0gmnbLrPemwK+vecD2nfwJhIdudFZc3bCVfIR/MWSsAM4lKuuW0+7JAN98bN1jmgSrsfbQnvrK64ATO5Lts+o9IAAAAAACNqYbHi2Z6bKcRUEwAAAAAAkHRL5Zpne7YYb8CMK+FDFwBg5Bljjkq6Q9Irku4PIfDllTblN+7wmpL8cwkGuXitJC2GtH8AXeMDYBxOnVvwbN9+85W6bM9ETLVJmFTKe2HSxUXKihMws3eS6aEIwnkPAAAAwZiti2HVLqBmp1Tvs0GFxph+w26k4Pr8VQj7RY8aJE4jZCtVb+DAVFdhG723x+qGE7SR2eWtm2CD4ZLg0SrlNSdko+tQpd7bohusNEHADCK04oQr7Xi+T/DfMAAAAAAAYVtYKnu2r58lYAYAAAAAAARbXPEGzMwU4g6YYUwVACSFMeY+bS0ce4+kJWPMoQEdbqfAmKB5B9ODPG4IQToAOsWY+th9+8VLevDpkqfs+OG5eCozYpadgJli6AvJYjhx3gMAAEBnmK2LQWuXsn1/n/sNCnQpWWvPtHtBq0M2qCO4r4AZY8x0m+Od7me/6A6XwRi0cs0btjHYTritwAJf0EaOt+6hNkQ3K8pVN2Am5Da/w6+iSsDMiBmedi/5z/fdhyt1iZAaAAAAAMCQWFj0BszMzU7FVBMAAAAAAJB0S76AmVxMNQEAJElrYdi7An50akCH3Gnx2qB5BzsF0nRjusPjAYgKYzUjd+rcBc/25Xvyeqe5IqbajBZfwMxE92OdWdR7BLlzVTjvAQAAoA1m62LQzjvbJUn3Wmvv7nO/QSnlH+/gdfd1uK9uHAko6zdAB0DCVNa8nXBToQYOtO+ccwNm8hneuhENf8jGgJPNt3VgugEzeSdghu5sDFJlkG1/iEKmAAAAAABw+QNmCjHVpH85p5/1xUurMdUEAAAAAIDRtFR2AmaK+ZhqAgBImKNtyvtaMFbSZW3Kn9jhNQ8ElE33WY9NQf8ed14FgIFivGac1jfq+uT5Zzxl7377db57dOOt9za64iwku3dywItpYkgRMAMAAIBgXJlhoKy189pK/r7bWjtjrT3Zzz6NMe06loPCY1xBwS939FEdSTreY10ADJHIwzZafAEzWd66EY1yzRuqVAg1VGlnbrufyEbz9wZI8Z3vAQAAAABIuoWlimd7bmZ4A2ZuuWafZ/vsU0sx1QQAAAAAgNG0VF7zbM/GHDDDejAAMPLaBdTMtymXpLNBhcaYfsNupOD6/FUI+wXQM4IWovRn33pJL12qesqOH5mLqTbDovM2ulz1jvMvThAwA4lgLQAAAHSKWeqIwmbYyj0h7e/ugLL7rbW7pnpba0vyh8y0C6zplPv6853UBcBwqXQROJAKsQO6tkHADOLRbchG9+2+fQemL1hpt7R6RgEhRJUYw5UAAAAAAEiqleq6Fle8K4/PzQ5vwMxb56Y92xec8BwAADC8uGsEAEAyuP0IM4V4A2ZcjQYTjAEgJottyoMWke1GUKBLyVp7pt0LWvMKggJo+gqYMcZMtzne6X72C6BLjC2O1elzFzzbbz2wX2+8am9MtRk9y6sEzCCAe97juhcAAABtMEsdA2etvVdSSdK0MaavkJlWIvgxp7gk6WQXu/E91xhzosf6HJO/E/n9vewLQLK5YRtTuZ3DNsKyY9AGHT4YoLIvZGPQbX6rPVfXvX9vBCshSr7z/cDbPgAAAAAAybewVPaVHZiZiqEm4ZjMuf1N9LUCAAAAABCW9Y26LlbWPGWzxXgDZpheDACJ4S7iWpJ0r7U2aAHabhwKKPt4B6+7L6AsaF/dOBJQ1m+ADoB+Me4+MksrNZ159EVP2bEjczHVZvRs1BuqrHnHOu8lYAaBOO8BAAAgGLN1EZXN0JUTxpi7+tjPqYCy21sJ4h1pPdcNmflgu7TwXbiBOfdba92ObwAjwA0cKOSj6YTzBcwQtIGIDLzN77AygNvuJ2j3iNCKr+13GzDDsDQAAAAAwOh5+hVvwMyVeyc0GVEINwAAAAAAGC4lJ1xGkmaKuRhqAgBIGmvtvKT51ubd1toZa203C836GGOOtvlRUHiMKyj45Y4+qiNJx3usC0KUYlI9EJvPfO0Z1Ta2xoLns2n9xFuujbFGCbXDWPqdrDiLyEpSkYAZSPKNYeetEAAAAG0wWxeRsNaelnRva/M+Y8yJbvdhjDklfyL48V4CXay190o6va1oWtIXu6zPfZIObis6E0J6OjA+euwQi0vZ6Yib6iJwoNFH2MD2zlWJoI3Rk9xeu35DNrpu99tWBqgSrDTiktvuJanS1fk+jH9Lsn8fAAAAAABI0sJSxbM9N1uIqSYAAAAAACDpSuWar2x6Kh9DTdrjTj0AxGozbMVd6LVXQeP3O1o0trVwrRsy0y6wplPu68+zgG38+hnLjWHl/p/zCTAqp85d8Gz/0C1XaX8h+sDJoQuaanRW3+VVAmbQxpDN0QIAAEB8mK2LyLTSxTc7YO8xxjxgjHEDY3yMMQeNMeckHdtWXJJ0uBVc02t9jssbMnPIGHPOGDPdQZ3uk3TXtqLz1tp+08rRB7fzZ8i6gpBwjUZDlTVv2EZxYoCr8xK0McKGp9PODdkoRNjxXKPdI0ZlN1wpF2Lbp+MeAAAAADCkFhbLnu3rCZgBAAAAAABtLK6sebb3TmRjH/vB7XoASI7WQrElSdPGmL5CZowxB+WdY6DWvk92sRvfc3tZTLf1umPyLmArSe/vZV8AMIweffZVPfLsq56y40fmYqrNaFqp+gNm9hAwg0DMrAMAAEAwZusiUtbau7WVEn5U0rlW0MxdxphDm+EurVCZY8aYByQ9IWl7EM0ZSTeEkeTdCpnZ3il8SNKSMeaeVofza4wx0616LskbLnO/tfZwv3UBkFyra3VfIHRUgQO+oI0Mb92Ihj9kI+xQpR3a/Ya33U9kvcceukT5cTdko7QiDRQDAAAAAGBIXFjyBszMzUzFVBMAAAAAAJB0iys1z/ZMMR9TTdpzx4IBACK3Gbpywhhz147P3NmpgLLbrbWlTnfQeq4bMvPBThatDeAG5twfxpwHAD0YsrGro+L0uQue7Wv2T+p7bro8ptqMpktOwMxULqNMmvYOyTc/gwtfAAAAtMEsdUTOWnu/pBlJp1tFRyXdJ+mcmuEuDTVDZU61frbpjKTD1to7uun07aA+90q6cVt9JOmEpCeMMQ1jzGadllr1nHbqc7cAjLRyzZ/yPJWPJnDAFzAT82o+GB++gJmBh2xsdWBW173Hpt0jSm7bj+p8DwAAAABAkj296A2YOTBbiKkmAAAAAAAg6ZbKyQuYSe2wEBIAIHrW2tOS7m1t3meMOdHtPowxp+RdxFaSjvcS6NKaT7B9LsG0pC92WZ/7JG1f4PYM8wyABCFoYeBq63V9+mvPeMrec+i6BIWfJKUem3qrz4oTMFOcCHHhZAw3grUAAADQIa4iEItWQMzxVrL3eyXdoWYH76yaHbIlSfOtx8fU7GAtDbA+85KOS5Ix5pik96nZwXtwW30WW/V5QNLp1msAhCXBnbZu2IAkFXYMHAjv31Lb2CloI7m/Mww/N1ipkN/5Y2PX3ZE7dGC6wUoTuwbM0BmK8PjClQiYAQAAAACMuUajoYXFiqdsboaAGQAAAAAAEGxxxRswM1vIxVQTAECSWWtPtuYS3CXpHmPMHZJO7hYQY4w5qOZCttvDZUqSbu8lXGZbfY63QmuOtYoOGWPOtfZb2qVO96n579h03lp7R691ARAGxhZH7UuPvei7Fjh2eC6m2gyjzuaGuAEzeyeZGopN7nmP+UYAAAAIxlUEYtXqbL2/9UiEViL66V2fCGBsVNb8ATNTuWgCB9ygjXxml+OSOowQbNQbWl3ztr1ihCEbvna/a8AMEB43XGkqxyUTAAAAAGC8vbJS8/WRXn8ZATMAAAAAACDYkjOpdKaQj6kmW9whVfUEL4YGAOPEWnt3K8TlPklHJZ0zxpxRM0DmrKR5a22pFSpzSNLdredtd0bS8TAWs22FzJyQdE+r6JCkJWPMvZLu275A7baFdu9Rc0HbTfdba+/uty4Awsbnv0E7fW7Bs33kdTO64fJiTLUZXZdWveOcixOdjfFP8TcwfrjuBQAAQBvMlgQAYBflmnfyxGQurXQ6miAXgjYQh8BQpQgDZqpOu5+g3SNC7jm/0G3b7zboi857AAAAAEDCLSyWPdu5TEpX75uMqTYAAAAAACDplsprnu2ZYvwBM2nnXn6dW/UAkBjW2vuNMR+X9FFJx9QMkHktRMYY0+6lZySdtNaeD7k+9xpjTqsZHHOsVXxC0olWXUryBsoMtD4AesSirZF68dKqvmxf8pQdP3IgptqMtpWqN2BmzwRTQ9HCeQ8AAAAd4ioCAIBdlJ1OuEJ+0G+fWyMYahsEzCB6bpuXemj3ffRPusFKBMwgSpVuAmYIhwEAAAAAjIGnnYCZa6enlIkogBsAAAAAAAyfpXLNsz2bgIAZd55dg/v9AJAo1tqSpOPGmGlJ75V0h6RDkmbVDHMpSZpvPT4m6UzrNYOqz7yk45JkjDkm6X2SDrYem/VZbNXnAUmnW68BkFR8/BuoTz/4jDa2pThO5TL60bdcG2ONhkCPYSArzjjnXgNmGv0M9kdCuf+nnPgAAAAQjIAZACOKzg6Ep9xN2EBP2rdXgjZGXEIHq7htXhpEu2+vuk6w0khLZrOX1BxAVq5FHSoGAAAAAECyXViqeLbnZgox1WRwEtpNBwAAAADAUFpc8QbMzBTiD5hJO5M363QGAEAitUJj7m89EsFae1rS6bjrAQBJ1Wg0dPrcBU/Zj9x2dc/BJ2Orw2uUS6vecc5Ffs9oh+teAAAAtMFsXQAjggtfDE55bdABM+35gjYy29+6afdDp8ek8aitOAEb6VS04Ub+dh/d3xwGYTjavdRse3Xn1BrlOR8AAAAAgCRaWCx7tudmRy9gBgAAAAAAhGep7A2YmS3mYqrJlkzaO3Zho97miQAAABgR7thVxt0PykMXLurxF5Y9ZccPz8VUm9G3UvWO8yfIB68ZniH7AAAAiBkBMwAA7KLihG1M5aPrhKu5QRu7hnzQK4T+VWreUKViPqtUhOE4tXXv8Sdy3naf4iYPBsRt+xIBMwAAAAAALCy5ATNTMdUEAAAAAAAMg8UVb8DMTCEfU022uMNe6qzkDgAAAITi1LkFz/bc7JS+84bZmGoz+giYQXsEawEAAKAzBMwAALCLshM4UMjtHDaQCrEfprbRbcAM0D+3zU91ELARZuhL1Q1WytDuR0tyO6tXnEAxqbP2DwAAAADAKHt60QmYmSnEVBMAAIDdRbhmAgAACLC2UdelVe+995liAgJmWLQLAICxwkKG8HUSETA4EKtrG/rs1571lN156IDSaT5/766339ElJ2CmSMAM2uG8BwAAgDaYrQsAiMnwdBr6AmYiDBuoEbSBGJRrMXQ8tzowG42GL1hpIrdbux+e88lYGqKR3BXnfC9Jhfyg2z+d9wAAAACA5FrfqOvZ0qqnbG6WgBkAAAAAABCsVF7zlc0U4g+YAQAA441ResBgfOHRF/SqEzB556EDMdVm2HV2plpxAmb2EDCDTUM0Zh8AAADxYpY6AAC7cAMHpgYdMLMtKdgXMJPlrRuD54YqTeWiC1Varzd8YdkEK42YBKehu20/n00r0/UqCrs9n857AAAAAMDweO7iqjbq3mv56wmYAQAAAAAAbSyVa76y6UIuhpoAAABgvDFWMwqnz13wbH/3jZexWMWAETCD9tzzXnLH7AMAACBeXEX0wBizT9JRSQclnbHWfi3eGgEABmml5u2EK3QZMNPYrYN6h6Tg2gYBM4jeihOyUZzoJWCmt5CNqhOqJNHuER03YKa46/mejncAAAAA0rdeuKT7/mxe+6dy+sUfvEnTEynpK/9Keva8NLlf2nOVtPfqbV+vlvZeJU3sjbvqwK4Wlsqe7WI+oxkmhQEAAAAAgDYWV7wBM/sms8qxsBAAAABix3jPsD13saKvfOslT9nxIwdiqk2ABC+I2Y9LTsBMkYAZtDOifwMAAADoH1cRXTLG/KCkU5Kmt5WdsNb+VmyVAoCRkNzOi4oTOFDIR/f2WVtvHzCTpsNnBCTz/7DihCpNxdjmJWki20vADdC9ypobKMblEgAAAICdLSyW9Z7f/ovXBnE9f3FVH7n289Kf3rP7i3PFZtDMZuDMnqubATSeMJqrpKmZHQOKgUFaWPQGzMzNFpSiPQIAAAAAgDaWnICZ2WI+ppoAAABgrHE/a+A+ef4ZT37FnomsfvjWa+Kr0LDpsY2uOAEzeyYZ64wWznsAAADoEFcRXTDG7Jd0Rs3Z4Ns/dd9rjPmotfbVeGoGIOWENCQzsgHDquwLmIku7MIN25jYbUUfOoUSbjj+f1aqTpvPRdfmq+sbvrLtwUoYBcl9l3bP91MRnu8BAAAADJ9Go6H3/6eznhXCznzzBTWqf9ZZD8DairQ433zsJDPRDJq58fuld56U9ido1TeMvIXFimf7wEwhppoAAAAAAIBhsFj2BsxMFwiYAQAAQAKwsGuoGo2GTp1d8JT92FuuSfS420bSx/F32EaXV52AmYnk/s4RNbeNc94DAABAMGbrdmf7kqMNeT9pH4m4LgCAiCQpYIagDUShsua0+Qg7nt02L0kTTrtPePc+hljZDVdK8I0uAAAAAPH7+NkFPfb8JU9Zdb2ueq3S5hU92qhKF5+Wzv8n6aM/KD1zPtz9AztYWCp7tq+fJWAGAAAAADq1UW/oawslPfXyStxVASJTKq95tmeLBMwAAAAAo+bsXy/pqVe89xGPH2GhlEGr1xtacea2FCeyMdUGiUewFgAAANrgKqI7R9U+vvFslBUBAESnsuZNeZ7K7/b2GV5HTHWDgBlEb6XqbfOdhGykQmr3QQEz+QztfqilnEigBHdWl2vO+T4XQcBMgn8fAAAAANp7/uKq/sUffDPwZ/X1NXmuJq47LGWnpOXnpUsvSLVLga/ryPIL0u/9benQ35HMj0iv+5tSlkk6GJyFRe/A0LnZqZhqAgAAAADDpbZe193/n7P6sn1J2XRK99z5Ft15mMl2GH2LKzXP9kyBvisAAADEwV3OkrGaYTp1dsGzffCKog5dPxNTbcZH2VlEVpL2dBwww9/AyHPH7AMAAABtEDDTnYNqXlE92fp+089Za1+Np0oAgEErOynPnYRt9KfZeddoNHxhGwTMIAoVN9l811Cl8FSdNp/LpJRO79LZSWcoQuLeeBnI+T6VIlQGAAAAGHKNRkO/8qmHdckJaH1N3btKs/7GL0hvvnNru7YiXXq+GRaz09fKYvD+1yvSV+9rPib2STcdbYbN3HRUKsyG848EWp5erHi252YKMdVksLhSBwAAABC2+/70CX3ZvqTvST+st6e+paUzD0ipQ9LUjDQ13fraeuQI88ToWHICZmaLuZhqAgAAAGAQyrV1/eFDz3nKjh0+oBTjubvU/e9redU/RqHzgBmMPoK1AAAA0BmuIrpTkrRf0mFJR1tl5621T8ZWIwDAwLlhG+EHDgR3DtY26r6yfIaAGQyeG6o0NfBQpS1uwMxENrpjY1CGp7Pad77v5aYLN8gAAACAkffZrz+rLz72YtufpxrOqmFpZxJNvihddmPzsZP1qrT8onTpOelL/1x68s/8z6m+Kj3yyeYjnZW+7x9K7zzJtQlCUalt6OXlqqdsbnY0AmbcgZYXlsox1QQAAADAKHripWX9n1/6tt6d/or+df7fNQsrkj77fwe/IDOxLXBm2hs+Mzm9rcz52cR+Kc04EiTLYtkbMDNTzMdUEwAAAIw139DV5I5dHTZ/9PDzWtk23jadku48dCDGGo2K3dvocsAiOEUCZtAO5z0AAAC0wVVEd85J+kFJh6y1nxjkgYwx+yV9QFLDWvvLgzwWAGBnKzVvR9xUrtvAi94m9NTWAwJmstsHBtHhg8Fw23wxH13IRnXdOwnP2+aBwXLDlQq7ne/peAcAAADGzkuXqvonn31k5ydtrHm30z3eislOSNNzzcf//Anpj05I536v/fPr69KffFi6+Sekq27p7ZjANkGhK3OzUzHUJHxvvm6/Z/tbLy5rubrOCn8AAAAA+tZoNPTLn3xYtY26fiz33zt70UZVWn6++ehKSprc3wybWWqtkTexX/rhD0vXvFW6wkiZ3M67AEK2tOINmJktEDADAAAAjJJT5xY829/3xit01b7JmGozXlacgJmJbFq5nhcwZtGakeObv8E4dwAAAARjlGR3Tkm6XdJJSV8e8LEOto7TkETADADEqOIEDgw85bkVWLB7wEwQOvrQP7fNT+W7DVXqRXC7z/fc6Q10zxcwE0nbBwAAADBM/ulnH1GpvLbjc1J1Z9WwMCZyZfPSj/8b6Tvvlr75B5L9nPTs+eDnvvANAmYQiqcXvQEzl+/Jq9BLEHECveHKPZ7tRkMqlWsEzAAAAADo26mzF/Q/nlyUJBVUHfDRGtJqqfnYVL0ofebnm99nJqSrbm2GzWw+rrq1GWoLDMiS03c2TcAMAACIAaOp4W8FBC2E4elXyvrv84uesmOHD8RUm/Gz7ATMcG8TXrz7AQAAoDNcSXTBWnu/MeZuSXcYY95trf1UBIctRXAMYOj5u/+4MEZ43MCB0MM2fEnBTbUNf8DMRIawg5HSSObNihVfqFJ07c4NmJnIETAz9NxzXELbvSRVat4bL1MjMmkOAAAAQDg+/43n9IcPP+cpe+cbr9CfPv6S94l1J4AmHeK1xZU3Nx/v/IfSpeelxz8vnflnUmVx99cCXVpwAmYOzBRiqkn4MmnuIQAAAAAI30uXqvr1z33zte1Uyrk3uvfaZhDtaklavTj4Cm1UmwG120Nq01np9d8r/cT/W5q+fvB1wNhZWql5tmeLBMwAAID4MbcACMfp8xc82/uncjp681Ux1WbItZlDshNfwMwk45wBAAAAdI8rie69X9JZSaeMMXdYa78cd4UAiKDVYdRDh1gcGo2GKmvesI1C2AEzbbhBG5KUzxK2MdSGpN37QjZyA/jI2OZ3UXXafT5Dm0d03HClqM73AAAAAJKvVK7pVz/9iKdsppDTP/uJW/X9//JPPOWpuve6WpncYCq192rp8N+V/up3CZjBQCwsVTzbc7OjEzADAAAAAIPwz//gUV2srLV/wvf+79J3vL/5fX2jGTJTWZIqpdbXpWb4zOb37co3au2PsZv6ujT/ZemPTkr/03/pfT9AgNp6XZecCY+zxQH1jQEAAADdSPDiiMOiXm/oE+e8ATM/+bZrNZljrG1UVpzrrSILaWK7oPkZjcbQzGEBAABAdLiS6JK19rwx5ockfUHSGWPMPdbaXx7AoQ62vjIqHABitLpW9/UnF0IP23A7bJoHJGAGcYkzZMNt98Ftnps8wy25/3+VWNp+cn8fAAAAALb82h88qpeXq56yf/oTt+ryvRP+J9ediWRpJtFgOC0slj3b189OxVQTAAAAAEi+L9sX9dmvP+spS+10LzCdkQqzzUc3Gg1prewNn/nML0ilv+5uPy8+2t3zgQ6Uyv7wo5lCPoaa7O4Ljzyvd33kz3Xd9JSu2T+pa6enWo/m95cV80oxCQ8AAGB48VkudP99/hU9U/IuUHH88FxMtRlBHQwnXnYCZvZMMC0U23HeAwAAQGe4kuiBtfaMMeYmSQ9I+oAx5m5J90m631r7VEiHuSOk/QAA+lCurfvKpnYJHNhxgFAXqk7QRiadUiZNpw8Gzw3ZKE7sHrIRVsusbXjb/UQHoUoNOkMTbnj+f9xzfmEgyf7D8/sAAAAA0PTlx17UJ88/4ym7/U1X6ifeeq3KzjW0JKU2nP6kTMS3Ylh9DyF52gmYmZspxFQTAACAzjF3CEAcyrV1/eqnvrH7E8M4SaVSUr7YfOy/rln29/5Y+o8/Lr3yLWnm9dLf+Yw0sU96/iHpua83Hwt/JV18ems/Df+iR0C/Fp2AmVRK2j+VzPDlldqGvrZQ0tcWSoE/z2fTunZ78Ezr+zdctUdvn5tRmjFcAAAAGDOnzl3wbL/p6r1683X7YqrNePIFzEwyLRS7aDToNAcAAIAPVxI9stbOS7rRGPN+SfdIOinppDFmXtJ5SfOSnpC02Pq+U7NqhsvcFW6NASDhEjrxJWiSUGGXgJmuuR02rV+FG7SRzzhBGwn9nWG4NRoNrTghG1O56D4yVte8f3P5DgJmgLC45/zezvdddsJzLgcAAAAS7dXVNf3ypx72lO2dyOrX331b+xWM62ve7TS3YjB8Go2GLix5VyCcmyVgBgAAAACC/OsHHvet4v6ut10rPRpRBfZdI/3cV6TSQjN0Jl9slh/8/uZDkh7/Y+k/v3frNdymxAAsrngDZvZN5pR1xzvFZG52qqvn19breuqVsp56pez72dGbr9RH/86R9v2DAAAASAD3sxoXQf14dXVNf/SN5zxlxw4fSPhn4qT/n3f/u1txAmaKE4xFwDaBf49J/zsAAABAHLiS6IIx5o/b/Ghe0qHW9zdKOhhNjQAAgxYUMDOV6y5woNFD55/UHKiwXUdBG4nupMUwqK7XfXkXxYkIQjZa3GCliWzIgU6Ini9EK7kd1RUn4Ghq14CZHv4tqRR99QAAAMAQ+fDnHtNzF1c9Zb/6Yzfr6v2TbV7RUKrh9CelB71KM/1BCF+pvOZbAe96AmYAAMCQajQaCZ/sAmCYfeOZi/r3/+1JT9l3HZzV8SNzSj3q3hgc4LkoNyVd8cb2P0+5ixrVg58H9KFU9gYvzxbzMdXE785DB/Tlx17SmW++0Pe+znzzRT3x0opuunJPCDUDAAAAku8PH3pOq2tb15HZdErvevt1MdZoPC2veu/f7ulpjD9GF33gAAAA6AwBM915h6T9bX62/W5wGJ/IGyHtBwDQh3LN2wk3lcsonY7m9NxTwAzQp8BQpV1DNsJTXaPdIz5u+y9E2PYBAAAAJM9ffPtl/ZevPu0p+56bLtd7j8y1fU1W/utqZQYdMAOEb2HJuzp3Jp3SNW2DlQAAAABgPK1v1PWBTz6k+raRg/lsWh9692163gmsjZ871oVVMRC+xZWaZ3umkJx+sclcRr/7M0d0sbKmZ5YqerZU0XMXK3qmtPra98+WVvX8q6vaqO/+9+H+WwEAAJAwQ7Q44jA4dXbBs/0Db7pSl++ZiKk2vUl+C9i9hstV73iEPRNMC8UuOPcBAAAgAFcS3VlUM2Bmt7utfPoGgBFRiSRsIPhtxQ2YmSBoAxFYcVamlqRiPrqPjLUNAmZGX3I/Kped9h/lOR8AAABAspRr6zr5yYc8ZYV8Rh9+z21KuYMRtwkMmElzKwbD5+lFb8DMNfsnlc3QTwMAAAAA2/2Hv3hK33jmVU/ZL/7ATTp4xR49f3FVKfde4A59CgPnm1xZD34e0IclJ3RltpiPqSbt7Z/Kaf9UTrdcuy/w5+sbdb20XNWzpWb4zHOlZhjNf/mrBc9YrvU6f0MAAAAYD0+8tKzzT5c8ZccPH4inMmNuubrm2S4SMIPtAvudGKcOAAAAP64kujMv6aC8n65T8s8S7Ref3oEuuQMyGqH/WWJclZ2AmamOwgbCaX8EbYyi5J+bKmv+iXBTuUGEbDgaBCuNruS3e0lqNBoqO+1/KsflEgAAADCufvOPrRYWK56yD/zImzQ3W9jxdbmggJnMgFdqTjnXzmvl4OcBXXDb/9zMzm0fAAAAAMbNwmJZv/WFxz1lb7hyj+5+540x1WgXbv8BK1hjABbL3oCZmULyAmZ2k82kdc3+KV2zf0qHX7dV/rlvPK+XLlVf2yZfBgAAIOlYDDAsp89d8GxfvievH3jTlTHVZoT0EEK7UvWOR9hDwAw8hmPMPgAAAOLHlUR3Stu+T7W2zzrlYTikZpANACBmbthAoaOAmS616Rx0gzbyrBCMCKxU1z3bU7mM0unoOhurHQTM0PWJQaiu131jKIsTEYQrAQAAAEics08t6j/8xVOesu94/ax++jtfF/yCbbJa9xemBxwwM/M66bmvbW2/8Mhgj4exsLDkDSq6fpdwJQAAAAAYJ41GQ7/66W/4FnD5jTtv8ywe5L+3HePdbndsSoN0DIRvacUJmCkOX8BMOxnnb2idhBkAAACMgY16Q5887w2YedfbrlOOeQ2xWHbG+RMwg10RMAwAAIAAXEl0Z3Hb96este8b1IGMMQ9Iun1Q+wcAdKZSc8I28ru/dab6TThvdeK4ATNBQRtA2Cq13kKV+m73LW7ADMFKiErZafuSNBVFqBgd9wAAAECirK5t6MTphzwf1Seyaf3Gnbd1FMCalf/aQpkBB8xcfZv06Ge2tl/59mCPh7GwsOgNmJmbnYqpJgAAAACQPL//0HP608df8pT99Hddr8Ovm935hT2sTh6alHvvnfuUCN9Sec2zPVMYoYAZp2+wzr1+AACA4cLnt5782bde0guvVj1lx44ciKk2I66DNuoGzBQJmMF2gf1OnPsAAADgx4zd7pS2fX9ywMf6ndbXXe46AwAGyQ0cKOQGEDbQRnXDCdroKGAmxsFIGAkrTpsfSMCGpHZt1Res1MnfHM0eISg7gWKSVOggVMwnzkGhAAAAAPr2b858S/Mvr3jKfumH3qiDV+wJfL57CZALCphJD3hQV36vd7sRUAegS/6AmUJMNQEAAACAZCmVa/q133/EU3bl3gmd+OE3eZ+YCm+hlnC4C2HUg58G9GGpXPNszxYHHLwcITdgZn0jSX/fAADAlazP4ogFYzlDcfrsBc/2bdft15uu3hdTbbDiBMzsmex9LEKDPxEAAABgbBEw050nNr+x1j414GPND3j/AIAO+AJmegjb6LXzzQ3a6CxgBuiPG7JR7CVgQ+r5xkx13fs3l8/Q7hGNSs0/AXNq14CjXm5Cc0cGAAAASKqHLpT00a94u+bfOjetn/2egx3vI5uKIWAGCNlGvaFnShVP2YEZAmYAAAAAQJI+/LnH9PKyN0Tj137yVu2b7CRII8Z7hSnn3nsHK6MD3Vpc8f5tzBTyMdUkfG7AzEadvyEAAIZJg3F7IHSoa6VyTQ88+oKn7PiRAzHVZhR1f15adgNmJhiLgF3Q/wMAAIAAzNjtzmIMx5yO4ZgAEIHh6Kh3wzYKkXTCNTtxfAEzBG0gAm6o0lQPoUr9cNv9BMFKiMiK0/YnsmnfALHBoOMeAAAASILael0nTj/kmRiSy6T0m8fe0tW1QVYBATOZ0VmpGePhhVdXteaswn39LAEzAAAAAPCXT7yij51d8JTdcctV+lu3Xh34/FSS7gW6i8Q06sHPA/qw5ATMzBZHJ2DG9ycUTzUAAADQseGYq5Bkn/36s6ptbF075jNp/cRbr42xRuOt0WhopRrSQrIYTYELBHP1CgAAAD+uJLozL+l0RMcqSfqE+CQPALFywzYKuQGEbQR25AQEzBC0gQi4bb44EW3ATJV2j5j4AsUiDlcCAAAAEK/f/pNv67HnL3nKfvEH36A3XrW3q/0EBsykuRWD4bKwWPZsT+UyunzP6EwIAwAAAIBerK5t6Fc+9bCnrJjP6Nd+8lal2oz78JW2eV4kUs69d1awRshW1zZ8C7vMjFLATNwVAAAAACJ26uwFz/Ydt16l6cLofMZPnp2v0ytrG6o7T9k7yVgEbMeVKwAAADrDlUQXrLUPSnpvRMd6UtLxKI4FjAJ3xR+GQAyjZP6vVZyBD1NRBA60BvHUNrzHzmcJOxg5CRywVXFCNqZy0X5cJFhpDCSw3Uv+831hUKn+vmXNkvn7AAAAAMbJN597Vf/Xl77tKbv5mn36X7//xq73lXMDZtLZeCePAT142gmYOTAz1XayJAAAAACMi9/+8rc1//KKp+zED79J1+yfiqlG3XKv67hPiXCVymu+spkRnnzKrX4AAICEY6xmXx57/lU9/MxFT9nxwwdiqg0kabm67isrTjAtFLvg3AcAAIAAzNgFAGAHZV/gQHQhL76gjYz7tk1nz9AZgnk47mpSxYlog41qG952PxEQrOSGiiHhhmQCWpznewAAAADxWd+o68Tph7S+bamvTDql3zz2FuV8fTG7y8oZ1JXO9VvF3eWciWyXXhj8MTHSFpYqnu252UJMNQEAAACAZHj8hUv6d3/6hKfsbXPT+unvet2Or/Pf247x3mnK6edo1IOfB/RoqVzzbKdS0v6pCPrGIkL4LgAAAMbJqbMXPNtX7ZvQ977hiphqM6K6vMZYXg0KmGGsM7YJbFPMuwAAAIAfATMAAOygt8CBbjthgjsHfQEz2Q7ethnMgD5Veg7Z6Lfzsfn66rr3+B21eyAEvbf9bnGeBgAAAJLko1950rfy2s+986DefN3+nvaXlffaQpkIJtFceYt3+5VvSbXy4I+LkXVh0dt+rh+TgBkWbwMAYDSk6IcHELJ6vaEPfvJhrW1sXTRk0yl9+D23KZNuf85J3Pko7dx7r28EPw/o0dKKN2Bmeiq349/IsGswSQ8AACDh3M+ifH7r1NpGXZ9+8BlP2XsOHRjCz/ej9X++UnXG2GfSgQu5YpwN298oAAAA4pKNuwKjyhjzeknTkmSt/doOz9sn6eBOzwEAxKey5k16nspH8dbZ7MysbXgDZiYI2kAEVqreNl+IpM1vcYOVOmv3dIaif+Wae77v9aZLt+1xtG5gARhuxphTko5Jut9ae3dEx5yWdFTS+yQdbD2mJZUkzbceH7PWnh6nugAAovHES8v612ce95TddOUe/eIPvqHnfeZSzuSsdATX1Zff5N1u1KXKopQfj1AQhG9hyRswc2BmKqaaDE4+k1Y2ndJ6feu6/J2/+WX9zHe/XuaqvXrj1Xv1xqv2as8Et1IBABgFjQbrdADo3X/+6tM699dLnrK7vu+gbr5mXwevdu4FxnkySjn3PxsEzCBci2VvwMxMMR9TTQaDjxIAAAAYF19+7EW94gRIHj98IKbajJFdVsNYdsb4FycIl0EHWGUFAAAAARgVGRJjzNsk3a3mRKSDzs9OWWt/qs1Lf1fSncaYJUkfttb+1kArCgDoipv0XOgpcGCXIQZtBhBVnaCNPAEziEB5LYw2L/U6tMYNmOmo3dPviRCs1Ny2v/ulUopOdwAjwhhzSNIpbfVnHI3gmNOS7pF0V8CPS2oGuxxqPY4ZYyTptKST1tr5Ua0LACA6G/WGTpx+yHMdmkpJ9x57iyZznV8Lu6uRZ+VMzsrk+qpnZ5Vg4BjC9fSiN2Bmbnb0woqymbRuuXafHrpw8bWyekP6vT9/yvO866anZFphM+bqPXrjVXt189X7lB66FRoBAAAA9OKFV1d1zx895il73WUF/T9v7zWcNsZribTTf1AnYAbhWnImoM4WRitgBgAAAEOO8Z4dO3Xugmf78OtmdPCKPTHVJjyNIY+N9AfMMCUUjsB5SZz7AAAA4MfVRJ9awTIfVXOSkRR8F3hmh12ckXSHpFlJ9xpj7pZ0h7X2r8OsJwCgNxVf4EB0E3Z8QRsZAmYweGWn83kqwjYvEayE+Ljn+4G1fZZIBZAgxpijkk4qgkAZ57jH1Ay02VSSdL+k+7YHthhjDqoZ5nuXmiEvx9QMeLnXWnty1OoCAIjWf/rLp3yrj/+9v3mDDl2/U3f+7nwBM+kIAmaAEK2ubeiFV6uesrmZ0QuYkaTvuelyT8BMkGdKFT1TquhLj734Wtmbrt6r//T3vkNX7pscdBUBAAAAxOyffvYRXXLuoX/o3bd1HE6bqDuDbkBtg4AZhGtxZc2zPT3iATPMTwYAAEg4xmr25OXlqr687b6YJB0/fCCm2oy67troitM/sYeAGfgEtCkuXgEAABCAGbt9MMb8O0nn1AyXSbUejYBHW9ba+621M5I+IOmipJskPWGM+YEBVh0A0KHymrcjrpCPriPOFzDjBG2k6OzBAJSdkI3ioNp8mxs3brufIGAGEXHbfqHDQaF941QOYMCMMdPGmIPGmEPGmKPGmBPGmAeMMUuSHlD04TL3yBvoclrSDdbak9sDXSTJWjvfKp+RdO+2H50wxjwwSnUBAETr6VfKuvfz1lP2ussK+j9+yPS9b3/ATLTBrUC/nilVfGVzs1Mx1GTw7vq+g3rb3HTXr3vs+Uv67T95IvwKAQAAAEiULzzyvP7oG897yu48dEB/86bLe99pnBMcg/oo6nV/GdCjpXLNsz1bHK3gZeYnAwAADDsGa3bi0w8+o/X61u9qMpfWj77lmhhrhE1uAC4BMwAAAAB6xYzdHhljPqbmqtWbt402w2RSzqMj1tp7Jd0g6Ytq/r88YIx5XZh1BkZaw93kji7CUXEDB/LRTQqqbewcMBOMtj9cknezwg3ZmIqwzUtSdZeAmRRtHANScQLFigO78UIbBhAdY8x9kpYkPaFmQO4Dku5RM1RmWtJ5SWcirM8JSSe2FZ221h631pZ2e6219qSkk9uKjhpjTrV7/jDVBQAQrUajoZOfeEiVNe/172+85y2hXAP7AmYyMU2kIZgYPVpYLHu2Zwo57Z0crQlhm6YLeX3q579bX/qld+p3fvqQ/l9H36gfve0a3XTlHmXSO1+//8UTL0dUSwAAAABxuLS6pn/8mUc8ZbPFvH7lR2/uaj+pJI0JSAUFzKz7y4AeuQEzM8V8TDWJRoL+ugEAQABG6YFW0L1Go6FTZy94yn7kzdeM7L3C5Nn5KmOlGtU4ZwytwGRUrl4BAADgx9VED4wx/07ScXlDZSRpXs3JWX/V+v6ipC90ul9r7UVJd7QmJd2p5sSvN4ZXcwBAt+IM26g5QRv5DLlwwy/5NyvKNafzOR/tx0V/u2el9+HntvtkdlTHd75P5u8DwMgqSTqrZt/FfdbaeWPMXWoGzgyUMeaomuE2m+attce72Ye19l5jzDskHWsVHTPGnGiF9g5lXQAA0fsvX13QX86/4in76e+6Xn/jxstC2X9OzsSsdASD7Vg+GSFyA2bmZgsx1SQaqVRKB6/Yo4NX7NEPv3mrvLq+ofmXVvT4C5dkn7+k//pXC1pc2Zoo960Xl7W6tqHJHH1XAAAAwCj6rS88rudfXfWU/aMfu1mzXQZm+ANmYryGTweMOWls+MuAHm2/bpak2cJoBcywIBIAAMONUXqgEezu4Wcuyr5wyVN2/PCBmGoDlxsws2eyuzH+KRapGQMB1638vwMAACAAATNdMsa8XdLd8gbL3K/mxKwHA57f9TGstceNMeckvc0Y80vW2t/qo8oAgB41Gg3fataFDgIHwup88wVtZAmYweC5IRudtHkpnGFwjUZDtQ1vu5/I+dt9olZ5w8jwtf1BTRBj4ieAaJ1UK0jFWjsfc11OOdt397ifk9oKdZGke4wxp7v89yWpLgCACD1bquhDn/ump+y66Sl94Ee6W318J1k5E7My3IbBcFlYqni252ZGO2CmnYlsRjdfs083X7NPkvQz3/16feeHvvjazxsNETADAAAAjKgHn17Sf/zLpzxl3/uGy/Wut10XT4XCkgoKmKn7y4AeLZW9ATMzXQYyAQAAAKFirGbXTp+74Nk+MDOl7zoYzkItCNBlE7206gTMRLyILAAAAIDRwUz17n209TWl5orfN1prfy4oXKZP728d457dnggAQ2kIOm1X1+q+wN5CLoKOuNZB3aANAmYQhV4DZsJQXfcPXstnOmj3Q3A+QfKVa94bL1O9tn3aI4AEsdaWrLXzcQeeGGNOSJreVlSy1p7pZV+tf4v72o77TpJUFwBAtBqNhn7lUw9r2VnV60PvuU17JsLr78mmnICZdC60fQNRWFgse7bnZsczYMbF1T4AAAAwHtY26vrgJx/2jBWZzKX16++6Take7gP6XhHnvUQCZjBgSytrnu3ZwmgHzDRYBR4AAGDI8PltJ6trG/rM1571lN156IDSae6SJcWKM9Zhz2R/4xwa3AEdPYH9Tpz7AAAA4MdM9S4YY26QdEjNT9cPWGuPWGufHMSxrLXnJX1RUsoY8+5BHAMAEiWBN91XnLABqbfAgV4732pO2MYEATOIQMUXMNNr53OX7b7R8IUqSdJEjnaPaPjDlTpp+8l77wKAhPqgs/3xPvd3ytk+ZoyZHsK6AAAi9KkHn9GX7UuesmOHD+idb7yir/2643NycgJmMgTMYLgsLLkBM1Mx1QQAAAAAovfRr8zrsecvecr+wdE36vrLRiB8MzBghvudCM/iSs2zPVMcrX4x1poBAAAYNs4HOK5/dnTmmy/oYsUbGnns8IGYajOmdmmj7tyWYogL6WBUBFy4cu4DAABAAGbsdudY62tJ0vEIjvdxNT/d/1QExwIAONygDUkqTnQfMLO74BEIbsBMPuO+bdPZg3CtbdR9IS+FgbT5YG6bl4LaPTAY/nCl6No+AIwyY8xRSdNO8QN97vZMQJkbHJPougAAovXipVX9s99/1FN2xd4J/aMfvSX0Y2XlBBanI5hIEzRBbL06+ONiJD39ihMwMzMCkygBAAAAoANPvbyif3vmW56ym6/Zp5/9nht63mfKN64jxoSKwIAZ/z16oBeraxuqrHnvuc8U8jHVBgAAAFDANRDj7ndy6uwFz/Z3HZzV3Cz3CZPk0qp3LMKeCMf4AwAAABgtxFV25w41exU+bK19NYLjbU5SOhjBsQAAjnJAwMxkNrqOuKobMJPtIGiD5XLQh6A2H2XIhtvmpQ7bPRACt/0TMAMAobk7oOx8Pzu01s4bY9ziuySdHKK6AAAi9I8//YhvtbVff9ebtb8QfvhLVs61bSaC2zC5gjQ1I1WWtspefFS6/KbBHxsj5WJlTa86AxMZOAoA48UYc0rNhXfut9YGXUcP4pjTko5Kep+aYyMOqhkQW5I033p8zFp7epzqAgCIVqPR0K98+mHPPetUSvqN99ym3MgsihK0ijUBMwjHUrnmK5stEjADAACAGLlj6rn+aev5i6v6yrde8pQdPzwXU23GSXfzPlaqbsBMBIvdYLgwlwgAAAAdImCmO5tBL1ENFlp0jgsAiFC55u2Em8pllE5H1+nSU8AM0Ae3zUtSIRfdx8VaQMDMRIShThhv/oAZLpUAoF+tSVnH3HJr7XwIu5+Xt79k2hhzyFobGBiTpLoAAKL1uYef0+cfed5T9uNvvVY/dOvVAzleVs61dTqCa4tUSrr6NunJP9sqe/nxwR8XI2dhsezZTqWk66anYqoNACBKxphDkk5p6/r2aATHnJZ0j5pBra6SmsEuh1qPY62A19OSToZ0PZ/IugAA4vHJ88/oz7/9iqfs73736/XWuem+9usbYRLnRJ9UwJiTRiP6emAkLa54A2bSKWnfJJMdAQAAECP3GoiAmbY++eAF1bddHu6ZyOpHbhvM/XT0bqXqHedcnGCMPVxB4cL0/QAAAMCPmerdmZUka+1TER93OuLjAUMnJe9Fb6PLNF8gSMUXNhBtJ1xt3Xv8/MisioXXJKzDzg3YkKSpgbV7/3m6uu4/fi7D+RzRqLihYhGf8wFgRB0JKCuFtO+gyVs7TX5LUl0AABFZXKnpH3/mG56y2WJe//THbxnYMbNyrm3TEU2kmdzv3a77r7GB3VxY8gbMXLNvktBrABhxxpijxpgHJJ1ThAvfGGOOSVrSVqBLSdK9km601qastTPW2pSkG1vlpdbzjkl6whhzzyjWBQAQj1eWq/oXf/iop+za/ZP6pR8yAzhawgJmlKwxCxheSytrnu2ZQj7SRbyikHICohI25AcAAAAuN+CTgJlAjUZDp89e8JT96G3XjMYijUP3oX3n+i5XveOc90yMwP8RwhVnsDEAAACGClcT3ZlWc2BRVDYHcJUiPCYAoMUN2+g8bCCczsjahrcjm8kcIyDhnXZlJ9k8l0l13O7coK9e1Nb9bd4doNM8FoaK7yZd8m7YNBoNlddiChVL4O8DAEJ0KKBsMaR9lwLK7lBzolfS6wIAiMiv/f4jennZu3ryP/2JW3XZnomBHTPnBsxkuA2D4fH0ojdg5sBsIaaaAADCZIyZVnMxnc2vh9S8bj2iGBa7aQWynNhWdFrS+621Jfe51tp5SSclnXRed8IYc8hae8eo1AWDRU88gJ38+h9+U0tlbzjGr/3km0OZqBXGffTQBAXMMMESIVkse/vgpgsRhS4DAAAA7bjXQIzVDHT+6SXNv7ziKTt+5EBMtcFOCJhBbzj3AQAAwI+Z6t2ZlzRtjNkX0fE2V9cOWgkbADBgsYUNtDpxgsI2gEEq17wdz1Gnz7ttfoI2j4isrtV99w4Hd84nIgnAWHlHQFkppH0HhcMcCSjblKS6AAAicObRF/Tprz3rKbvjlqv042+5ZqDHzaacgJk0k2kwPBYWK57tuRkCZgBg2Blj7lNzEZ0nJJ2T9ICkeyQdVTNc5rykMxHW54ScQBdr7fGgQBeXtfakmgEvm44aY06NQl0QroSv9wAgYb7yrZf0yQef8ZT96G3X6OgtV4V0BOcmZJwnqaBjEzCDkJScgJnZYj6mmgAAAAAtvoAZrn+CnDp7wbN9w+VFHX7dTEy1GaxG0sbvdtFH0Gg0tOIEzBQJmIFPUN8PATMAAADwY9Zud0qtr1FNErpbzbvMBMwAQAzKTifcVI9hG710Rq5v1FV3+nL8YRt09iBc5Vp4oUqNHgbGVXsOmElYhz+GjhuuJElTnbR/TsMAsJtDAWVBYSy9KAWUTe/w/CTVBQAwYBcra/qVTz/sKds3mdW/eNeblRrwRK6cnICZTFwBM1ywoHsLS2XP9vWzBMwAwAgqqRkoc6+kG621hyVFEoxijDmqZrjNpnlr7fFu9mGtvVfS6W1Fx1pBMUNbFwBAfCq1Df3Kp77hKds7mdU/+fFbYqrRgAUGzNB/gHAsrngDZmYKoxcw4/4FNeh/AwAASDYCZnZVrq3rDx56zlN27PCBgd9TR/eq63WtO5NL9hAwAxd/uwAAAOgQATPdOavmfaK7Bn0gY8zbtTX56YFBHw8A4OcL28j1Hraxo4COnNqGvxM7n+nk+HQKoXdhBsz0ouYLmIn2+BhfbtuXpGKPoWIAAI+DUR/QGNPumEmqCwBgwD70h9/UC69WPWX/6Mdu0VX7Jgd+7KycAMt0VAEz9AmhfwuL3oCZudmpmGoCAAjRSUk3qhkmk7LWzlhr77DWnrTWRr3QjRtkc3eP+znpbN/TwzV4kuoCAIjJv/3it/S0cx30wR+5WVeG2H+QqKt1d3KlxARLhGbJCZiZLY5ewAwAABg2hMHBuSLj+sfn8994XsvbFuRNp6T3HLouxhqhneWqfyHNPZOMc0YneD8EAACAHwEz3dkcZHTcGPPWiI4lSR8f8LEAAAEqa97AgeJEdGEXbtCGJOWzvG1jsMo1b+dzIeKAjarT7mnziIp7vpekqUGFigEASgPefzeTuEqDqkQLE8oAIAZf+dZL+tjZBU/Z973xCh07fCCS42flXF9kGNSF4VCvN7SwVPGUzc0WYqoNACAs1tqStXY+hjAZD2PMCUnT24pK1tozveyr9W9xX3vPMNYFABCfR599VR/9ivft8R2vn9FPvWMuphpFgIAZDNBiec2zPTOCATPu+mEN5ugBADBkEhX/iCgEXQPB4/S5C57t73nDFbpmPwtQxGaHi4zl1YCAmQnGIsAV8F7HxSsAAAACcDXRBWvtF40xUvMT9xeNMYettX8d9nGMMX+s5iSkhqQz1tpXwz4GAGB3btjGVIRhGwTMIA7lmncSXCEfZcBGQ9V17/HzGdo8ouG2/clcWuk0N5QBoB8RrNb9SpvyabcgSXVJCmPML0j6+QgORWIbgEitVNf1gU887Ckr5jP68HtuU8qdATIgvoCZdC6S4/owSAhdemm56uuTnJshYAYAEJoPOtv9LrJzStLRbdvHjDHT1trSkNUFABCDjXpDH/zkQ9qob1075zIpffg9t4V+jzDlrhIdUf9EsKBJRv6FOIBeLK3UPNuzhdELmAEAAMCQcQNmCNj0WFgs6y+e8A55Oh7Roi3Y1HkfwXLVO68lk05pouu5JYwhGHmx9jsBAABgmBAw073flPQPJc1KOmeMud1a+/UwdmyM2Sfpi5IObSs+Gca+gVHnDsig62MYJL/zwhe2kYtubmSVgJkxkayzVbwBM/5gpYkcbR7RKDs3XgoRBooBwAibjrsC20zHXYEEukLSLXFXAgDCdu/nH9MzpYqn7AN/+2ZdNx3dKmu+gJlMRAEz+aJ3e/n5aI6LkbGwWPZs57NpXbl3IqbaAABGiTHmqPzX5g/0udszAWUf1C7jK5JUFwBAfP7TXz6lr1+46Cn7+e+/STdduTemGkUkHXAPtE7ADMKx6ATMTBdiCl0GAAAANrlBCwTMeHzi/AXP9r7JrO645aqYaoPdrDjjnPdMZCNbZAfDLlnzVQAAAJAMzNrt3ockldT8hD0r6bwx5r8aY17f6w6NMfuMMR+W9KSa4TKp1v7PWGu/1m+FAWA4JK/jouKEbUx1GLYRRlddbSMgYCbD2/bwS3ZHbrnWe8iGb+W1HrjBSu3afBjHArZzw5WmIgwUS+L7HwAMudm4K7BNkuoCACPvq08u6j/+5V97yr7zhln9z99xfaT1yKWciVnpiK4vrnRyw557KJrjYmQsLHkDZg7MTCmdTnZfVtzqXNIDQKfuDig7388OrbXzAcV3DVldAAAxeKZU0W/+sfWUHbyiqJ//gRsHcjz/ve0Yr7OCQnAJmEFISmVvwMxsMR9TTQbHNz+ZfgEAAIBkI2CmrXq9odPnvAEzP/m26zQZ6dhZdGM5IGCmf9wLHgtcvAIAACBAGFcUY8Vae9EY8wFJv6PmbNCUpOOSjhtj5iWdVnOFq3lr7VNB+zDG7JN0UNJRSe+QdKz1o81gGakZYnN8MP8KAEAn3MCBQocBM31rNFRb93di5zKMVMBgxdbmW9x2n88SqjQa3BsQyTt3ldcibPusGABgfCQpXCVJdQEADECltqETp7/uKZvMpXXPnW+JPCAjKzdgJqLVmi9zJsKVX47muBgZT79S8WzPzRRiqkkyFQMGaT69WB7JCXMAECZjzLS2xkO8pk0oS7fm1Rx3sWnaGHPIWhsYGJOkugAA4tFoNPSPP/0N333xD7/7Nk1kI7o3Hue9wlTA/ff6ur8M6MGiEzAzw/UyAAAA4uZeAzHu/jX//clXdGHJe2/w2OEDMdUGW9q30cEEzGDkMEYdAAAAHeKKogfW2vuNMYclvV9bITOSdKOkE62HjDGbLzlqjHml9f10wC43X7+5r4ak2621r4ZeeQBAx+IM2wgK2kh10uFDpxD6UK55O5/7a/O7tMWAtlrb8Lb7iU4DZmj36FPFbfsd33gJuJlDewSA3SwOeP/TXTw3SXUBAPThX595XE+9UvaU/R8/ZPT6y4uR1yUrZ2JW0Orgg5BiNTn0Z2HJ+zc0NzsVU02SqTiR1Y1XFPXESyuvlT349JLeNjcdX6UAYDgcCSgrhbRvN9RFai7y0y7UJUl1AQDE4I++8by++NiLnrL/6Tvm9J0HLxvYMRN15zCVktJZb6gMATMIQaW2odU173iP2cLoBcyknL9opicDAAAknC9gxr/467g6fe6CZ/uNV+3RWw7sj6k2Y6yL8cYrVe+8luIE4wPQKa5eAQAA4NfhrF24rLV3S/qEtgJhNh8p56HW15nWw/15ynmtJL3XWvu1KP4dAID23LCNqXx0uWy+oI0Mb9kYPF+oUsTp5tU1f7ASEAVf289x4wUABmg27gpsk6S6AAB69LWFkn73K/OesrdfP63/x9+8IZLju2O+cvJeXygdUcAM0KeFRW/AzPWzhZhqklyHrp/xbD/4dCmeigDAcDkUUBZW4GspoOyOHZ6fpLoAACJ2sbKmf/LZRzxll++Z0Ad++OaBHjflm8QTc+RM2hkDQMAMQrBYrvnKZoqjFzADAACAIUPATKDl6rr+6OHnPWXHD891thAuYrNcXfNsFyMe449hEfB33CBgBgAAAH5cUfTBWnvcGHOPpH+orUjHoLvCnXwaT6k56Oh2a+2DoVUSANAzN3CgmB9U4IC/I6e27gTM5AjawOC56eZRh2zUNrzHn8gS8oFo+AJmBna+B4CxEtYErW6VAsqSVJekeEnSoxEcJyPJRHAcAGOqur6hE6e/rvq2Hvh8Jq3fPPYWZdLxDIDLugEzGW7DYDi4ATNzMwTMuN5+/YxObVvR8aELpfgqAwDD4x0BZaWQ9h10vX9kh+cnqS4AgIjd8/nH9NKlqqfsn/7ELdpfGLNgWF/AzEbw84AuLK14A2Yy6ZT2TY5enxjzbQEAAIaN8wGOgBlJ0h8+9Kwqa1vXgpl0Su96+3Ux1gidWHbG+O8dwWsuhCDwwpWAGQAAAPhxRdEna+1JY8wDkk5J2i//J+/dPolvfno/I+lua+2TIVcRANCjihM4MBVh4IAbMJPPEDCDwauseVcnK0Scbu5r91naPaJRrnnbfpTnewAA4mCt/Yikjwz6OMaYKyS9OOjjABhfH/nSt/X4C8uesr9/9A266cq9MdUoIGAmHdNENcYIoQu19bqee3XVUzY3S8CM6/WXeX8nl1bX2zwTALDNoYCysIJgSwFl0zs8P0l1AQBE6K+eWtR//h9Pe8p+8E1X6kdvu2bgx065F+hxJ1Sknfugda5r0L+lsjdgZqaQUyruth6BBqvAAwAAJFvKHYPM5zdJOnX2gmf7B8yVumLvREy1GSzfNXnS7XCNsVL1Xr8X80wHBQAAANA7rihCYK09I2nGGHOXpN+Qd6CQe4Xn3jk7L+n91toHB1dDYBwMWecPhkLZDduIsCOuStAGYlB2QpUKEYds0O4Rl7jbPgCMqFJMxw2aGFaKuhItYU1SQx8y2pCe+nPp1WebkyfS2W0PdzuorJPX8Lk1Eep16em/lCb3S1e/WXrhUWnlRel13yNl6AYfRY88e1G//SdPeMpuvXaf7vq+gzHVqMkXMJOJKGBmDCbtYHCeLVV84xXnZgiY8eHPDAB6EfmHM2PMQWvtfMLrgog1J4DzZg6Mo+r6hj74yYc9ZYV8Rr/2k7eORQCGT9rpJyNgBiFYXHEDZvIx1QQAAADYxg2YadSDnzdG5l9a1tm/XvKUHT9yIKbaoJv+ymVn4YtixIvIYlgEtCnCUQEAABCAK4oQWWvvl3S/Mebtko5KukPNQUqzaobOlCTNtx4PSPq4tfZiLJUFRt4YDgJB6Co9Bw703wlT2+gkaIPOnqGXsA67crX3kI2+z7qNhmpOwMwEATOIiP983/tlUtd/1gk7DwBAiNqFq0yHtP/L2pSXAsqSVBdE7F/l/p30H/5iwEdJ9RZSk8n1EWoT1Ws62EdSJuJ87Kcl+4fN7694k/TSY83vX/c90s981r86M4ba2kZdJ04/pPX61ufpbDqle4+9RblMvNeS2ZQTMONO3AISaGGp7NneN5nV/kJE4UgAgHFUGvD+D6o5JqMTpQHWQ+quLgCAAfidP5nXt19c9pT90g8ZHYgtVDPmvjQCZjAAS27ATHE0A2bcv17u9AMAkGwp3q3hC5ihTZw+d8GzPVvM6wfMlTHVBt1Yrnmv3/dOMg4BAQLHcHHuAwAAgB9XFANgrX1Q0oOSfjPuugAAeld2Agemugjb6JcbtBEcMBMkIRP7ECwpEy/bKK95O5/7CdnoRbXDds+NvyGT8HYv+c/33YQrdS/5vw8ACIO1tmSMiePQvklbSaoLonWZLuonM4MOl5GkhlRfaz7GUarb4JqQtzNZ6flvbIXLSFvhMpL01/9NeviU9Nafiv53g4G5/8/m9cizr3rKfv77b9St1+6PqUZbciJgBsPn6UVvwMzcbFwTLQEAo8QYc3DAh3ilTfm0W5CkuiSFMeYXJP18BIci7RNAbL794rI+8uVve8recmC//u53vz6eCiWBL2BmI/h5QBcWy96+8dnCaAbMAACA4dZg3N74cceuNurBzxsTG/WGPnn+GU/Zu952XRdzFBCnlap3jH9xgnEIAAAAAHrHFQUAAAHq9YYqa1EGDmzX8AfMxLz6NsZDuRpXm29y2/1Ex+2eG39DJYGrQPQaMEPYEQDsqiT/RKrZkPbt7nfT4hDUBRGZSV2KuwrjobEhbWxIG9W4a9LeF36VgJkR8u0XL+nfnvmWp+wNV+7RL/zgTTHVyCsrZ+XvTC6eigBdWFiseLbnZgiYAQCEYjruCmwzHXcFEugKSbfEXQkAGJR6vaFf/uTDqm1s3YPOpFP60LtvUyYd3f1l3/3EuBfnSDn3Qcc1NBuhWlqpebZniiMaMBP33y8AAAC64wuYGe/xnv/t2y/r+VdXPWXHjxyIqTYI1r6NLq8SMINOBFy3jvm5DwAAAMG4ogAAIMDq+oavL6WQ6+1ts5fU+9q6N+yAdHBEodeQjUA9DKypugEzORa1RDQqa94bL1N5LpMAICTzkg45ZdMh7TswHMZaWxqCuiAiWQWsPnXZTVJ9vbkyb31928PZHvOVq0bOyktx1wAh2ag39A9PP+SZHJZOSfcee4smssm4hszKWfk7HVHATMrpO1qvBD8PCLCwVPZsz81OxVQTAABCEVagbBiSVBcAGCsfP7ugrz7lzQD/X77nBr35uv0x1Sgh0k7/AZOMEILFshMwUxiTwGX+fAAAAJLNvX865uNATp1d8Gy/+bp9uvmafTHVBpK6Gmu/XPWOc95LwAyCBLYpLl4BAADgxxUFACAeCU8Fd4M2JKkwEd1Epe0TpSQpn5BJUhhd9XpDlTU3YCbaj4pVN1gpQ7ASorFSDTFcCQCw3Rn5Q13Cmlg13eZ4w1AXRCQr7+AKZfLSL57r7MX1utTYJYTGt93Jc0J4zYb7+l6Ou9M2qxYjuX7vz5/Ug0+XPGX/y/ce1Nuvn4mnQpJSTrBwzg2YyUR0bT19vXd75SVp+UVpz5XRHB9D7cKiN2Dm+tlCTDUBAIyYJIWrJKkuAIABe/HSqj70uW96yuZmp/T3j74h8rqkfJN4ul+oJVRMsMQAlJyAmdliPqaaAAAAANtw/fOai+U1feHRFzxlxw/PxVQb9MINmCkSMAMAAACgD1xRAAAQoBIUMDOowIGApODauhMwQ9AGBswNl5EGHbKxe7ufyNHuEQ33nE/ADACE5gFJJ5yy6ZD2fTCg7PyQ1AURycoZHJTuYtXUdFpSWsqMyUqrrno9ovCczbK13o/z6Gfi/m0hIk+9vKJ/+QXrKbvh8qL+9zveGFONgmXdgJluzj39uOwmKTspra9ulb3ybQJm0JGnnYCZAwTMAAAGa3HA+5/u4rlJqgsAICS/9vuP6tVV78Srf/Gu2yJfYEUKuCvexerkA8EESwzA4oo3tHymMJoBM+5fb4NV4AEAABLOXQx3fK9/Pvv1ZzxjtPOZtH7irdfGWCME2mHB5hVfwEz345z9IbgYPQH9TglbCBwAAADJQMAMAAABygEBM5PZ6AIHfEEbWX/QBp18CNNKbd1XFnXIRm2DYCXEo7zmbf9TOQJmACAkZ4MKjTEHrbXzfe47KNTlr4akLohIVs5n3DRdoR1Lp6V0XtIQTARYq0i/fnXctcCA1esNnfzEQ1pd81433nPnWzSZsM/v2ZTTpxRVUFU6I+WL3oCZur9/C3AtV9e1VPZOBJubIWAGADBQs3FXYJsk1QUAEIIvPfaC/uCh5zxl73rbtXrnG6+IqUYJQ8AMBmBppebZni0OQb8yAAAARp97/TPG4+5Pn7vg2T56y5Wa4XP7UFmpeu/9750Y0wWzsLPAYOPxPfcBAACgPWZVDIgx5m2Sjkq6Uc1BSQclzau5AtYTkk5ba5+Kq37AqPGvEBLzij8YeuWaP2wgne6sXaVCSPmtukEbAQEzwQen7Q+X5HTYVQJClYoTnX9UDCPwqLrWY7sH+uS2/2hXL0zOeQAAwmatLRlj5uUPYNnsI+mJMWa6zfFOD0NdEJ2cL+SBrtCRlJuKuwaIwH/+6tP6H08uesp+5m+8Tt9xQ/LmA2flnHsIt0LCLSyWfWUHZji3AgBCsbj7UwaiFFCWpLokxUuSHo3gOBlJJoLjAIBWquv6R59+xFM2XcjpV3/slphqFHQfPeYxHQTMIGSNRkOLZW/AzKhOVGVIFgAAwJBxr3/GdHGOx1+4pK9fuOgpO354LqbawKuzi4zq+oZvEdfiRP8L8TB6GQAAABhfjGwOkTHm9ZJOSnqvpGnnxylJh7Zt39Oa2HRK0m9Ya1+Noo4AgM74wwaiXQ27tu4EbWQI2hgNyR1tUnbafColTUQc8OJ2fk9kg//ukvtbxLBy238hhBsvAIDX3CfpHqfskKQzfezzSEDZ/UNWF0QgI2dyRJrVe4Bh9Eypog9/7puesuump3Tih98UU4125guYycR47qmvxXdsDA03YOaqfROazHFdDADAqLPWfkTSRwZ9HGPMFZJeHPRxAECS/tUDj+uZUsVT9it/+2ZdvmcipholEAEzCFm5tuEb4zRTGI+++BDWHwMAAMAgudc/Yxqncersgmf7yr0T+t43XB5TbdCLlao/HGnPJNNBESRglgUXrwAAAAjAFUUIjDH71JygdFerqN28Z7f8RjUDaU4aY05Ya39rQFUEAHTJDRuYijJgptHwB8xEHPSB8VOurXu2i/msUpEuv9RQdd37d0e7HxXJjgSq1xuqrPUaKhbQ6b7b302yfx0AMAj3yx/qcoeke/vY5/GAsvuGrC6IQFbez7hK0xUKDJtGo6EPfvJhrTj9NL9x520qTiTzbzrnO/dEOKEmV5D0ytb2sw9KN/5gdMfHUHraCZiZmynEVBMAwAgqxXTcxYCyUtSVaAmqCyKQ1br+18xn9fb0t5VSQ+n/+h+b/QLpTPORcr56vs82JyD5yjJSOt36mt3286CyDo7z2mvSAcfJbNXBV5YN2A/31EL17S9K/9/3NL9//5el6w7t/HwkwkMXSvq9P3/SU/Y3Dl6mY4cPxFSjppR7PzHSe/ABfAEzTDJCf5bKNV/ZTDEfQ00Gj1v9AAAAQ8a9/qmPX8Dm2kZdn3rwGU/Zew4dUJaFbxMq+Bp9pbruK9uT0PESiFnc/U4AAAAYGlxR9MkY8zZJX5Q0ra17SN3ced18zb3GmPdJut1aeym0CgIAerLihG10HjYQoIeOGgJmELVYQ5Vaem73dIYOmWQNUlxd3/CNmyzkuEwCgLBYa0vGmPu1FcorSUf73K37+vPW2vPDVBdEIytncFCG93hg2Jw+d0F/9vhLnrL3HZnT977hiphqtLusnNXDogy3uuH7pK/9/7a2Hzolfe8vRXd8DKULSxXP9twsATMAgNC0C1eZDmn/l7UpLwWUJakuiMA/yH5C/1v2M1sF3/p6fJWJRKrDkJy0E26T2bls18CbDsN0uqrPDkE+HR3bCe3p5N+1/V5jaWErXEaSPvoD0gcWpMl90f+3omPrG3V94BMPq77tnl8+m9aH3nNbxIuqDAH399EYvwmWCNfSyppnO5tOae+YTHRM1sgHAAAA+LiBvGN4/fMn9iW9vOwNhYw7iBXbdNhncWnVO68lnZKmctGP8wcAAAAwOsbjTs6AGGPulPRx9RYss2nzNSlJRyQ9aYw5bK396xCqCADoUcUJ2yjko33LrG10ELTBSAWEaKXqtvn4A2YmCFZCBNxwJSmegCUAGHEn5Q11kTHmhLX23m53ZIw5JumgU/z+Ia0LBizWkAckT3lRKszGXQt04cVXV/XP/+BRT9lV+yb0yz96c0w1CuaO+fKde6IMt7rlXd6AmZe+Kf2bt0iZnJTJN8+DmXxrOyelc873+WZ9M/kuf5YLPsaOP3O+Z8JfbBYWy55tAmbam3QGapYqa6rUNuhHAIA2WkGvcRx6Psl1QTT+RvrR3Z80UhpSfV3SutxLEnQgtS28Zr3i//lX75e+7/+Ivl7o2P/950/q0ede9ZT9/dvfoBsuL8ZUoy3+q92Yr39Tzj34z5+UvvzrW9fnm4FM6W3bmey2n217ZHJboU2vPT+z7We77Su3+/N3PX7QaxhnEKXFsney6kwxT7ATAABIrB//P/+bpvIZTeUyKuQzmsq3vuYymspnt33fLC/kM5rMZVQI+NlkNqN0ms89ieZe/3z1funxP5JyRSk3JeULze/zBSnXemx+n289Z/vP3bLsZOLvcZ46u+DZfvv107rpyj0x1Qa9chdOLk5kQ7nuWl2rv3ZeLOQzKuaz285/2dfOg+73U/mMihMZFXJZFSa2zqNcCyZBwP/Bf/kpaWpm6zyWL3q/f217T/Pcli9unefye7zPTXNfHAAAYFQwq6JHxpjbJZ1qbW6f4t/tFVHD+Tor6Zwx5gZr7aU+qggA6IMbODDYsA3/W4cbtJHPdDoAho459Kay5u18jjpUSZKqbrsnYAYRcAPFpHgClgAgRtMBZaEmMLQmcZ2UdM+24g8aY+631pa63N09zvb91trzw1gXDF5O3s+4SufiqQiS4Su/Jf2tX4+7FuhQo9HQr3z6G3rVWYnrQ+++Tfunkv23nPOFW0VY333X+stKQ5Jlvz3EZtCBNm5oTuDxOqjL5v6G3MKSEzAzMxVTTZLPXLVX6ZRUb93R26g39I1nL+odryfADAB2UJK/7yGsE6e7302LQ1AXDFiGlBV0o1GXNmrtf37hrLTySivEItMMotkMxUilEz+ZbNQtLJb1rx543FNmrtqr93+vmw0OSf4JlpWl5mOUbIZGBYbSdBtwk3HCdzoI2Ok4rKfD40/uT3Rw9tKK9/w5W8jHVJPBY7IkAADDJeid++FnLoZ6jMlcuhm2kPOG1WyG10zlstu+Dw6tmdxWvvW8rCZzaT5/9CvljAMtv9x8hHeAgFCaQiu8puj92faf+wJtigGvKTavE/poA68sV/Wlx170lB0/PNfvPxqD1AhefXi56h03sWcinDH+9UYj1PPi9nPZZlhNp6E1OwXY5DqeR4PAc8bLj/vLepWd9IbRdBxUs/l9m+CaTJ4+VgAAgIgRMNMDY8wN8ofLbH6SPS/prKRzaq5GtajmQKVN02oOUjoo6Q5JR7U12KjResxK+qKk7xhA9QEAHaisRRkw4+cLmCFoAwO2Uo23zUv+dj9Bu0cE3EAxSZrKETADYKy8L6Bs2hhzKMywFGvtvcaYd0g6tnkMNfs+Dne6D2PMfWr2p2w6Y629e5jrgsHKqO4U0BU61v7y/yJgZoj8wUPP6YFHX/CUvett1+r2m6+KqUadSamudMoZ9BVlAMmeZP9+dlRfaz7W4q5Il668Vbrzd6Wrbom7Jj1pNBpaWKx4yuZmCzHVJvmKE1m97rKinnx55bWyF15djbFGADAU5iUdcsqmQ9p34EzrHQJkk1QXDJg7FP1zG9+hR+uvU0Z1pVN1ZeR9ZFN1ZVMNZbWhbKqhTKqurOrKpBrKpjaa32tbuerKpOpKa2s77dnnhtLbytLaaH5tNMtSqivT2FBaG0q1ytKN5muQQI//kfSbO4SVpNJO6ExGSm+WZbeF0qS3/Xx7UE1AaM1rZZuv36HMs8+0c0xn/z3ts4d6+l7f5t/e58SRzYDa1bWtv51USvrQe25LzBiLlNtPEPdkmT1Xx3v8KGyGRu0UHDVs3vRj0p3/XspNxl0Tn0UnYGamOPxhvJ1qM/cTAAAk1CDeu1fX6lpdG9znTm9Yzdb3QaE2r33f+llQsM32n01kxyDAZuD3ThvS2krzMQipzM6hNPlWmM1r33t/fv7bl/SdelGV1IQqmtBGdko/fmNKWr3YCrAZvzE0jSFdyHfZWZin2GPAzN7Jwf6fl2sbgWOy+5XLpDSVy6g44Q+r6TTAZntozeb3k9mM0unhbBNtpbPS1MzgwoTXV5uPSsjZ+qmME0zjhti4oTVuUE1AaE2+KGWnmv2SAAAA8Bm/K8Jw3KfmQKOGmuNSSpI+rOZK1Z3Gd35R0kclyRhzUM1Vr+/UVmDNYWPMh6y1vxxetYHRNWKX9UiAcs3bETeVj/Yts7ZB0AaiVanFGzBTb0jrde8dPNo9ouA73+dG8IYBgLHW6nOQvBOmDrYed8sbkrLdOWPM/fIG6G4qSZK1dr6bulhrjxtjTmkr2OWQMeacpNt3m3DVCnS5a1vReWvtHd0cP6l1weDkUt73eaXpCh176zUpO7or6I6KV5ar+ieffcRTdlkxr3/847fGVKPO5RQwWCrKc8+eK6QjPyud/ffRHXPcvfiI9PmT0s/8ftw16cnLyzVf0DYBMzvL0mcAAN06I3+oS2AYSw+m2xxvGOqCAUvJe8/pixuH9In698VUm240lFbjtcCa7GYwjROIsxVus+H52WbgTXrb8zLt9rGtLJva8Bw34+z7tSCd1Pb9bGwL6Gm0Qnqaz/OE9LQCfDKpxmuvy6bqrx0v6N/g/7rRCufZ8ITxpBvNsJ50Y0OZoOuxyP7b6s1HfdgSMxOgr3CetEqrdf39V1b1v+WbkU7rjbSuni7qpq/8nvTn3QbhBITz9BquU7hMuu5Iu390pL9in+/+RWn+T6T1yq5PRYI89gfS45+Xbn1X3DXxWSo7ATOF/z979x0ex1ngD/w7W6WVbBV3W3Lcko1rHDsJhBBIJSEEUp1Q747fQWhHuQMSAhw1EBKO47g7uAB3cIVyh00IpIcUQkgIwSVxXydxk3uRZEu7krbM/P5YydL7zqy2zc68M/v9PI8ee95tr7Tvzs77zvt+x7/jrxwRICIi8paOtkagz+1aVGcgk8ufx6lBfommiQE2sXAIDZEgYsNlY/9fKLRm9P8hU9iNEgE25/41sGk1kDrmbj0qZeSAoZP5nwpcDuBy+fD8X8f8PxgZDWMIN475/3BwzamQB6uysYE2FmXhGEMdSlLaZyQ5JM5/aq4wYGbh9IkVPc5tmZyBTC6Lk1LQjh1GA7gKhdWYQ2tG7jtegI1rwceaBrzhVuDR2915/UoZOWDoRP7HbmNDuAoF1ViG1owJqhm7PfJ/Jy82RURERFQDXFVRpng8fimAyzAaLrM6kUhYXe27ZMMLslbF4/EVyIfOnD383LfF4/FvJBKJykYEiOoYLxBC1ZLTk2PhcsI2qm+BQ1kxYEaVq2uRzRS6nFFSCtkoN2BGnqhb/AHioHg2Z74iYyRYqA7q/N3I+9wOV1JpP0BE/jM8zrCuiqe4ZZzb1gBYVe4TDge73Ip80C6QX9jVE4/H7wbw/bGhNfF4vBXATcP3bR3zND9IJBIfKPe1Va4L1UZQvup3gCd2fatlNnBib/H7pfuBkF3rR6lWvnT/VtOVj79yzRK0N6m/OCVktaDR6UklV/8jcP5HgBP7gFwmv8Axlx7+f3b0/8Jtw+V6Rvr/yE96+LFj/1/geayeU7d/opdS9j6f/zt4cAJRV09K2A4HNUyfqN7V0ImIyNN+C+BWqazVpue2Cs1d75G6UA3NaGl0uwpV0DAcmQIAGCp0t1JPLdTZKQhtnBCdsaE4Aa3w/X4T/Xu3f436UmU4TxuAlfJUij6osYh01jnQ3vg/btfCbM4FwKd2AIc2Dffbc6N9dz073Lcf+ckM354dHVeQ76/nxtwm/eTGPF7PlHD/8V6bAU7o3eN2DSyZAmY8MIZnF6PevmiJiIg8pjkaEvoGDeEgvnntsnxoSzqHVDof3pJKZzGQ1jGQySI1XD6YGb59zH0GM+Y5rl5mGDj1+9ZCYDjApnFMCENDOGjx/1CB0JrRx46E1oz9fyRYQoDN5NOBv90MHNgADPUB6SSQSQHpVP7fTKpAWQrIJIHMwOj/0ykgV3Ckxpty6fzPYG9tnj/UaBFKMxxmcyrQYTi4ZmwAxNj7FioLNZjmoftZv00BM/KFX2e1NuKbb8jvF5NDOQyk8/vBZDr//2R6ZH85un9Mjdn2g1rtB8NBDY3hIJqiVqE1hcJqQpZhN01jAmwaQiVcRPX8D+cDao9uz++70snh/VhyzD5t+P/p/tF94an94ZjbDB+8z5nh399uwUiRoJqm8YNrLANv6m//RkRERO5hwEz57hr7/0QiYVusYyKRWB+Pxy8B8CTyITMA8A0AH7brNYiI1CF3etU66S4HDjQ6GjhgIC0HzAQZMOMLCg/2yG2+KeLsYWI2Z94HRMNs91R7yar291bfXcU+5+ruB4jI13qH/+2u8nlGUhlaq3mSRCJxdzweX4P8GMuNw8W3Arg1Ho8D+fpavcbjAG5LJBK2LdBSqS5kP1PQgwcX/lOJLr4duO9DbteCbPDolkO4/6UDQtmVi6fjqqXTXapReUKwCFJxI9xq0vz8jyoMY0w4TbEQm/SY0JpCt1UblGP1GgWep5RwnFwaOLYDmLa49n9Lm3V1iwEzs1obESw2IY2IiKg8a60K4/H4vLHBrhWyCnX5s0fqQjUUiwRNC77VOhNNtWIggCwCVj0z+Y5Etbd/LSYefsF8oRYV5gw0TMwHzXiNrpcRVmMVbiOH2Mj3twjQKXT/SsJ4xr2/VFfDYvGyruairp6kGP7THqufgBkiIiLylo62Rpx9TmfFj9d1Ix9OYxlQM7ot/j8rBdWIoTUD6RxSw4+RL0zqdbqRn5spz8+0SzCgWQbP5P8/HMwQDqK5IYTXL1iAi8+cWv2L6jkxgCadyofQnPr/SJCDVDY2wGYkwEEoG/7Xb8Ga2YH8z0C109WsaGNCZ0bCGRrH/D9fPm/flhq8di1ZD1rJATNNUXvWtUxsCGNVhftFXTcwmB3dryXH7O+SQ9lToTUj+7qR0JqxITVWATYD6RzSFhet9ZpMzkAml8XJQfsvxpMPrhne54VDiEXNATaTmqK4+qxzcOb8iZW/kGHk50KMhM+cCqqxCK0pGFRTYNsPgV25NDCQBgZ67H1eLTB+UM3I/9vnAWe/C2hss/f1iYiIqG4wYKYM8Xh8LvJXszYArLEzXGZEIpE4AWBlPB5/BflJSB8AA2aIiBwnD2jHqgiYMSoIE5BPFERCVkEbnPlG9pHTt6sOVSpzYlxGNw8Glx6spMAkPCpMhUmS40ilxcH7avb3RESqGQ4/UXJHPLxwaxUAxOPxGwHcjPw4yDzkA116kQ/E2Yn8FcbX2LDYS/m6kL3C8nKiAL/nfes0Dy6IIZMTqQw+f99moaylMYyvXLu4+NXnFBGWg60AhlsB+X5hKJL/8ZqRcBw5fObbi8T7DZ5wp35VkgNmOttjLtWEiIj8KpFI9Mbj8Z0wB7DMQ76fXZF4PN5a4PXWeKEu5LwvX7MYn1l4KbK6gZxuQDfy/+Z0A7nh/+s6hv+vI6fDfL/h++q6gax0m24Ml526H049T6HnGPvaY1/r1PMYOHW/sa+nGwayuTHPM6ZOOeF+QFbX87+X/FrSds4wYPDU8/g+uWM49CGXX1Bm6KMBEiNlY/9v5MbcrhcuE57T4nlGgibGLRtbD734c5b0OuPV06KMcxcshYZsXmBS7wIBIBAB4MHxhXLpOvB/7wISD42WKXrV8O5kWthua/Lv++ORIUoiIiKqkUBAQ1M0hKZobZZg5UYCbEYCFzL5wIXBkTCGzMj/s6dCacYG1KTSWQxk9NFQm7FhNz4JbBgrpxvoH8qagjes/McfduE7b1+Oa5bPqu5FA0EgOiH/Uwu5zJgghrHhNCOhNAPS7UmLshT0dBKv7D+CqD6ImDaEBqTRpA0hAD+1AWP490+Oe68qojWUkpTaeXPU/TkIgYA2HGhi/z4xk9NPhdCMDa0Z2d+NDbAZ2edZBdiM/n9kH5nzxRjoSNhZMT96dhce+tiFmDO5qbIX0jQgFM3/xNqL378cuay4f0v3S8E1FqE1clBNodu8Pk5p6EC6L/9TzNZfA+/7be3rRERERL7EgJnyjFzJGolE4uYav9YHATwGAPF4/JJEIvFkjV+PiIjGGEjLSc/OfmWms+Kgj3XAjAXOZqAKJV1u8xmLk1clt3vyFsXGbQdM4UrsIhEROW14wZUSi65UqgtVLyhPjgm4P8GCXOaHmSI+dseDW3G0T7xK0RffughTJzS4VKPyhawCZhhu5W0j4TiIABgz8aqhFRjsdadONurqHhC2O9oYMENERDXxfQB3SWUrADxexXOeY1H2A4/VhWpIPmM6oSGCCRO907dwg2FYhNkMh+6cCqoZE44jh+wUD88ZDd0R7jc25Ge8QJ9T98OpkJ1T9zcM5KTQnbHPM3q/kTqM/d1G66IbRj5q2sqEaU6+Hd6j6xYBNkVCayoJx9GzSGez+ObDW9DdN4iApiOEHGIhDR+/ZB4mRgMVBu5kxd/h1GP0Eus5XNb9aj6UdAzNdHKUczqoBIGAeUzJ4qI9KuhJiW2+val+xuE53ExERER2CgY0NEdDaK7R3N1sTh8NsMmMhi6MbmeF206F02Ry1qE1QrBNDpmc2gdHj2w+VH3ATK0Fw0Bja/6nCo9sOogP/3S9UPb7T12E2S3BMaE1qdEQh6JlI6EPA1IgxJj7ZVIFakPjKnHdhxyk1Bz19xyEcDCAlsYAWhrt7V8ahoHBjI7k8P4uH0yTFUJrUiP/Hw7wSg0VCq0ZfpzCIV6pdA7PvHy08oCZWgqGgOBEoMHmGCjDGLOvkkNr5OCa8UJs+sfs//rz5XrxQDPH7XsB6DsETJjudk2IiIjIg7h6sjyXI78k9u5av1AikXg8Ho8/AeAS5K+izYAZIiIHpeTAgbCzA3HyIFMkyKANqi1TyIbDbT6nm08uRRkwQw6Q9/cxh9s+ERER1U5YDnoIcCiUSFVP7ziK1ev2CWUXxafgurMVn+QHcVlYWLMKmKmfRTXkPV094mTP2e0MmCEiopr4AcyhLpejunkXqyzKvu+xupCjGOhQjKZpCAU1hOr9NMmX3K6ARwUCAAL5xXA19s+PJvDDE+LCmK9evRgTz59T89cu6nuvA45scbsW5BeatEM2il+d3A3dSTFgpjUWcakmtafxeIKIiIg8LBQMYEIwgAkNtem3ZcYE2IwG12SlEJv8z2BmNKhBDrUZ/b8YapO1mGNcjoGMmsfTtbB6bZew/Zq57Zg9EjARbgDQbv+L6jqQHcgHOwgBNEmLslThoBrhMWMCb3JDxevgBwVSLPuHxPbr9EVk/ULTNDRGgmiM2D8Amsnpp/ZjxQJsToXWjBtgM7wfzOSqCjetp30fgHxoUySW/2mabO9zZ9NiUI1laI0cVGMRWiMH3mQHir/2eNJJe34/IiIiqjvsVZRn3vC/Tk0G+j6AS2F9xSsiIqohU+BADQaSTrFIn05npYAZBm1QjSWdbPMWMlKbD2j5E1pEtSYPnjf5PNmfiIiongTlgBkHFriQS0q8qhOpqW8wg9t/uVEoa46G8PXrlkLz2HsbgsUVi7jv8Se5beYy7tSjSnLATGd7o0s18a6MglejIyJSTSKR6I3H4z8AcMuY4suqfFr58esTicR6y3sqWheqLQ1qXzWbiCqTONSHe55+VShbMbsV73rNaS7VqDjTyIa3hjrITQHpvLWu3qIwwzDQmxLHRNp9HDAj49EGERER0ahwMIBwMICJNQqwSWfHBthkxwTV5KT/58Mcnt91HM++cvzU46vMp/GMwycH8fSOo0LZqnM6a//CgQAQacr/2B3qAOT7Q2MDaNKpfAjNqf+PhDYMl3XvBDb8xP56uCQ5JM5DaG6waSmox+ZjqCwcDKClMYCWRnv3gYZhYDCjC+EzYwNshFCaoSzWrN+HPcdTYx5va3XqWyiS/2lss/d5x+7f5KAaObQm3Q88LV1DweB8BSIiIqoMA2bK0w4AiURitxMvlkgk1sTjcQBodeL1iLyME8TIbgNS2EYtkorHw4AZctpAWhx8jjmcbi5fXSBa95dHJKekpLbfGGEXiYiIyC/CmjThPsDved9qmuJ2DagKdz2yHQdODApln71qIWa2ei/oIgiLiRsBBsz4UvN0YKBndPvYDmDeG92rTwWyOR0HesXPXmdbzKXaeMeM1ka8fKT/1PaW/Sdx3dkuVoiIyDtugxjqgng8fmsikbi73CeKx+M3YvTiQCPe79G6kFO4WIKqofFcvQp03cBn7t0onFcOBTTcef0yBAL8jJMPadKcCUO9gJlkOoe0FLza3lQ/ATNERERE5JxIKIBIqPTwhsZngkLAjFEnKQv3rt8vhOk0RYK4aul09ypkl0AQiE7I/5Ti8BZfBcz0D0oBMw7P8Sf3aJqGxkgQjZEgJpVw/3V7e8SAmdpVjewi7N+mjX9fwzAHzOgWF8IiIiIiKgF7FeVpBdBT7E4264V5QhIRFWHwkj9UpVRGCttwOHBADpiJMmDGp9QZtksOiZORYuHyAl6q3evKATMMVSKnpNLVtf3qqbMfICIi8psQxH7drp4hPP/CXgQDGoKahlBQQzCgIRTQEAwEhv/VRv8NaghoGkKBwKlt4faR8oCGgFCe/1fj4jXnhEsMIln7I6BhYv7kfCCUD/4IhMZsj/0ZLgsWuo/VY+Qf9muK+eOrx/GT5/cKZa+bPwnvOM+Bq6jVQBjSQh8twHbgVzPOAo5uG90+sq3wfRV18MQgctJ4TGc7A2aKWTG7Fb8fc+XHLQdOulgbIiLbtFqUtdv5AolEojcej98GYOzM19vj8fgPEolEb5lPJ82exQ8SicR6L9aFaoc9crLVspvdrgEB+Omf9mDD3l6h7INvnI/49BIXl7nEfMEs7qGoRHK4lYJXpO5Jpk1lbX4OmOHHl4iIiMgzAtJ8jXrIlzEMA6vXdQllVy2d4fgaCCVEmtyuQYlK62T0DzFghkojt6h62PfVFU1D/l0e88bq6gUSExERkTewV1GenQDmuvC6vS68JhFRXRuQAwciDgYOGIbpCj+RoMXrc8THg9SdbTKQEdt8U9TZkI2s3ObHCZgxT8IjqlxKCldqLGN/r1nth4stJOdCcyIiIscEIR5jrt/Xj9t3bXLu9eXAmuF/5XCa4JhAm2AggKCGCkNtAhb3H3s/6xCdkfJ8mI6GYND69cy/T0C672h5IJD/HQIa1AraeeoOh19QEwNnggVCbEzbJYTaBMMVhN4UCNI5FaJTSZ0s6qUFSjruHUjn8Jl7NwpljeEgvnH9MrXaTRnkYCsESruCHnlQ02RxOzfkTj2q0NWdEraboyG0xdhmi5k2sUHYHspywhYR+YJVckJrPB5fYWdYSiKRuDsej58L4MaR1wDwBICVpT5HPB7/PsQL9DyeSCQ+4OW6UG0w0IEqtW/Wm9Gx/2GxMP5mdypDpxw6MYi7HkkIZXMnN+FvLlngUo1Kx3PbVDF5fEzBOULdUsBMJBhAk5Pzq9ym4HtCREREo3gsXt/kw2m9Do7dNnT1YufRpFC26hxvXtilapFmt2tQIet2mkyL8xCaGDBDBcjhWvWw76s7gRCgZ0a3Dc5XICIiosqwV1Ge9QDmxuPxiYlEwqlLErYCWOfQaxER0bBkFYED1TIAZHLiYM54YRsiTo6kyiSldPPGqhPry2uLWV1c/Bstuc2DgR3KU/v9SWVcDBQjIiKimgpD/J7PGs5+z+d0AzndgPkarvXFHGozJiRHk0N0rENwToXfjNxuCrYJ4E63f1FLRv6k/tgT+/WihOCb/lQO96RyyEWCyCKAHIKY1T4B0+//1zEhOkWCdqYuzF9JPqrG1crl/Q6CDOsgdXX1iAEzHW2Nng13IiKi8cXj8ZEQlNYxxfOGfz4AMSRlrHXxePwHyM9X2Amge8xtvQCQSCR2llOXRCKxKh6Pr8ZosMuKeDy+DsCliUSid7zHDge63DKmaH0ikbi8nNdXtS5EpI5sMGYuDEacrwgJvvibzaardX/tuiVoCHvwvB77XVQy9dtKd0oc/W6NhX09tuDf34yIiKhO+Pg4hczqMWRh9dp9wvacSTGcO6fNpdq4zGfn6fsHxTGRZgbMUAH8qqsDgaA4D01nwAwRERFVhr2K8oxMjloF4D9q/WLxePxs6XWJiMgBum5gQAocaKo6bKN0VkPYpQfMEFVmIC23+VpPxhNHMCsPVSKqzoCU7M+AGSIiIm/raGvEvp4BAEBQDpgBv+fdkNUNZHUDQzV+nTsbavwCVB49m/8ZxxQAU+SuX+/wTzlefhx4x8+VmCkTkgNmAjwFQ+ra2y0GzHS2WyykJSIiz4vH4ytQ3QVtbhnntjXIz50oy3Cwy60A7houWgGgJx6P3w3g+2NDa+LxeCuAm4bv2zrmaX6QSCQ+UO5rq1wXspt0xlWB/gJ5GduPmx7ZfAiPbjkslK1a2YHXzZ/sUo1Kp8GwaD1sT1Qp9RbE9iTFgJn2pvoK5FLvHSEiIiKiEQGp6+X3fJmBdA4PvHRAKLtxZYevAyDHpXlkDnqJ748cusuAGSpMbFOG33d+9UiT5j8yYIaIiIgqxF5Fef4PwK1wKGAG+auFGQB+68BrERHRsMGsuZPtaOCAxTgOwzaolgzDQEoKVWp0OGQjKwfMBNnm/UutweqUFK4UczBQjIiIiOzX3hQ5FTATloIe2ic2YUVzK3LDgScj/+rCtj56e260PGfk/yWP6nwtEJ0wGnqi58b83+pHvn14O5cBDJ6YV86Oh4GDLwIzzy5611oYOykvpEntw2dXRqNxePAroqt7QNjubGPADBGRz/UO/9td5fO0D//bWs2TJBKJu+Px+Brkw1puHC6+FcCt8XgcyNfX6jUeB3BbIpFYX83rq1oXInJfUF6BBjCgyEV9gxl88TebhbJJTRF89qqFLtWoiIjYrwpmUwXuSFQCed+j4KKwnlRG2G6L+Ttghl8HRERERB6iySELLtXDIY9uOYS+MSEkmgZcv6LDxRq5zfrg3SoGVikW7TST0zGU1YWyJgbMUAEeGEqgagWkNT6cx0ZEREQVYq+iDIlEYkM8Ht8A4PJ4PH5WIpF4qVavFY/HW5C/GlhPIpH491q9DhGRMhQavZDDBoBah21Ig9gWo4MM26BaGsrqpsWyTQ6HbGR1cfA7GnY24Ibqlzlghm2PiIjIL0JSwMybl3XgzVdeUPHzGYZhCqcRQmlyBnRjTHnOIrRmzE9+W7e4f77c+rXGPCY3GnwjBuLopQXoSHXUjfxx+dhgHflxOd2A53J2Os4F/vpR+57PMAoH0JQTWpMrFmozUpYpHnwzEn5TtF7VPF+m+N/GTRt+4lrAzFhhiFcOQ4CnYEhdXT3iQsfZ7Y0u1YSIiGppOPxEyVnziURiJ/IX90E8Hr8RwM0A5g3/tCIf7NINYCfyF+VZM/wYX9eF7KFkoydPiIasAmZ4rt4t33w0gcMnh4SyL7x1EdqaFA2xaGgVNkPpE9Dk+R9MqKCSqd9WepJpYbtd1c8mEREREdUdOT9WV2idQi2sXtclbL9+wWTMbK3jc38+GstJDmVNZc0MmKEC5JEEf+/56pS8f9MZMENERESVYa+ifHcC+AWA1QDOqOHrPIH8sfydNXwNIiL3KDxwN2ARMONk4IDVGHYkpO7fi7zP7TYPANmcFDDDUCVyiNz+axsoRkRERE4KadJxbpVBD5qmIRTUEKrzwwVdtwq2MYfoFAu1yT+HLgXriCE5uql85PFiiM7m/SeAgwUqHAjb+wfQNCAYyv/UG10vP0hHzw2H1eS3dx89iTvu34SAkUUQOkLIYU57FJ+4ZB6CRgnBNyPhPM9/V6zbzqfd+ZtIghD7tra3PyIbdXUPCNud7TGXakJERAQkEok1ANa4XQ9ArboQkfPkBWh56oc8+NG6PT34n+f3CGVvOGMK3nbWTJdqVIKgNA5g6Nb3I/KJ7pQYMNPWVF9jYT5fo0xERETkaQFNvvirf+3rSeG5V48LZTeu7HCpNopQeJ1KufqtAmYa6nC+CpVEzjVmv9WH5PmPunkfQURERFQK9irKlEgk1sTj8ScAXBqPxx9JJBJX2v0a8Xj8/wCsALAukUj8g93PT+RHpiv+kPpM8bjqTKxJWYRtNJSxgrDa9mj16KhFwAzbPdklmTYPLJUfslFde8zIATNh/wzuk9rk9h+LONxF4ug9ERFRzYRgb8AM5QUCGgLQEFYoaOeZl48CPy1wY0ChinpdIAAEIgAquxJxJqfjQw88i225s0+VhYMa7n/36xGcPrG8J1t6A/DDS0a3j78CDPUD0eaK6maXMKT+dT0GEZEnpNJZHOsfEsoYMENERER+YjqPKs+sJyKlpbM6PnvvJuE0WkM4gK9duwSapz7PBszn0b1Uf3KVaV6VeueVe5JiwEx7rLJxQ6/Q+PklIiIi8gw5QFZX8HjaLveu3y90FyY0hHDF4unuVUgFnhk7KF7P5JDFRWRVmrBDSjGHa/l331e35HlwDJghIiKiCnF2c2VuBLAbwOXxePwRADclEomT1T5pPB6fCOAJACsB9AC4tNrnJKpXBk/oeoC68bgpKWygMRxEwPpSZTVhWPwtIsESwzY8MyBKAJRp9wMWoUpOh2xkdfFvMV6bZysnO8ntP1ZWuJLVZ5gtlIiISBVBOWBGvoIw+caSmS2Fb+T7rox7fvcqth0Uh9E/fNECnFluuAwATF0kFRjAyQPAlDMqr6ANzMFWbH/1Q40xnlLt6xkwlXW0NbpQExvsWws8+VUgncrvA6YuBqYuBKYtBpqmiOOluQzwxFeAvX8EzrgSeP3fAXufA56+C8im84+ZsQyYviy/nwk3jD62dy/wH2/CO/oO4h0NwPP6Qvx95r345Il/A/59EJh0OjBrBTDzbGDaEvGxAKDngN9/E3j1KWD+xcCFn2IIFRERkaM4dk9VYPNx3A+f2YnE4T6h7O8uP8MDwZjyPBh3akF+YUqYcaUW4+mWAmZafR4wI7Oa30VEREREapDDAXWfHrrpuoE16/YJZW87ayYa6j2ARPPqRU7NDbV/KCNsN0WcXddC3iIvJfLrvq+uyfOQFLrQOxEREXlLXc1cjMfjy218ulsBfB/A5QB2xePxOwH0VvF8KwHcgvyZwVcBnGNHaA0RkbLkgTuFOrapqsIGzMoOPJImIIQCGgcC/ULRAKCk1OajoQCCVbe58h6fzUkBMyGvDu6T18j7/MYq9/nFqbkfICIi8qMwgx7qxriTo/i+K2HH4T7885MvC2XxaRPwkYsXVPaEoQaLQvdnxpgCZhhw5F+KjvGUqqs7JWxPbo46HjZsi1wW+NlNQOp4fnvfC+LtsUn5oJipi4Bpi/LhLlvvG77vn4G2OcBvPgZkkvmyrudHHxsIAZPjo4Ezv/174epfrw1sw2+jtwJDAPYNP99LPxt97NRFo4EzM1cAhzYBv7tz9HXa5gJn3WzzH4SIiIhGaAr0D8ibrNuOt4//vWbXsSS+84Q4hrBoxkT8vwvmulSj6phaj8f7k0Rj9abEhY7tTf4OmOHHl4iIiMg7TMduPg0HfGF3N/ZK5/1WndPpUm1U4p+D9/4hcQ5Cc4MHz+mSY+RwLb/u++paQJojp2et70dERERURL31LNbD3lnmBvI9zzYAd9nwfNrwc64HoE7SAhFRLZhHbl2phhVTwEzU2RRv+S8RZdAG1VgqLQ4sNUWdP0TM6uKhT3nt3j8nAnxJ4VlWum5gICPu85u8uKCOiIiILJmCHuQTrFQfGPDhumxOx6dXv4TMmGDRgAZ8c9Uy34WLmoOtuN8hNckBM53tjS7VpEo9u0bDZaykjgO7n8n/WHnyjtFwGZmeBY5syf+89PPy6qVngUMb8z/r/tP6Pr+6hQEzRERETlL4XAURjTIMA5+9dxPS2dFzxwEN+MYNSxEKemAMQdrXMOyKqiJ/dym4KKw7lRa223weMENERERE3hGQjqd19Q6nbbF67T5h+/SpzTiro8Wl2ihEvhCyh/UP2jjHX8F+JdlMHkpwpxZUSwFpH5DLWN+PiIiIqAj/9JpKsxP5w2U7fwyMBs3Y8VwAcCOA3ng8/sla/BGIiJQgD9wpNGAlh23Ews6GDch/Cr8ttiL1pKR088aw8wvgxi40BNjufU2h/f1gNmcqi0W4AJSIiMgvTAEzDBqpT/KJdXLcj57dhZf2nRDKbnnDfCzraLX3hRToawQ1OWCG+526oUD7K8fe7gFhu7Mt5lJNqpRLF7/PeHp22VMPIiIiUg7jZKhybD1uWrNuH/64UwyRfO8Fc+0fQ3CQOWSGbYxKpe6Fu4B8IFRPUuyXt8f8HTAjZ/74dZEyERERkR+Yj938d/DWP5TFQ5sOCmWrzumAxqBl74RNlxAsmhwS17U0u3ARWfIO00iC/3Z9JM+D07PW9yMiIiIqot5W7vZiNBDGrp8Rdj7XSODM3fF4fEc8Hp9j1x+AiEgd8oCYbn03FwykpbANh8MGDGlSCIM2qNZSGbHNN0WdD9jI6eI+gO2enJBKmwNmnN7nExERUe2YAmYYNFKf+L67aufRfnzrsR1C2bwpTfjEZae7VCP7jR3hCjPYijyiqyclbHe2N7pUkyqZrsalATNXAOESA3Pk74hACGifX3l9JswEF4sSERGpgYEOVDmLVRdeWZTkccf6h/C1h7YJZbNaG/F3l5/hUo3sYJj3R2xP5BN9Q1lkpYSVtiZ/j4UFpM+vHxcpExEREfmFfOzmx0O3hzYdxMCY+d/BgIZrz57lYo0U4qO+d39NA2b883eiPDlgSl6XRD4gz0PSzWshiIiIiEpRb7Pru5HvAclhLqrSAMwHsALAbnerQkRkM00Oj1Bn8EIOHIjVOmygyCB24aANdf5m5G0DaXHwuTHiwCGi1O6zObE9R0MM+aDaSw2ZB1Vrvs8nIiIix4Q0BswQGPDhIl038JlfbsJQdjRQVNOAu29YhoawP4+7GWxVT1Q+tVRcV7cYMDO7vcRAFtXIk6XCjcAtTwG6DvTsAo5sA45sBQ5vyf//WGL854tNAj62HhjqAw5tBg5tBA5uBA69BBzaVLw+b/8pMGlB/nH71wMHNgBb7q389yMiIiIiF3j7WN/L7nhgK3pTYojkHdcuQZOXrsxdwpXHiUqmeHvqSaZNZW2xiAs1cQ4DZoiIiLzFHD5L9UQ+nPbjsduatfuE7YvOmIKpExpcqo2CtIBSF0CulBww46lxEnJcQO2hBLJDQJpvpcsX5SEiIiIqTb31LHrH/F8b3l4rlatop9sVICKynWkihDoDeGPTvIFKwgaqG4mRHx0JFgqYseCjxG1yTlIK2WiqIGCj2paXka5sVThYicg+qUzWVNbgeLgRR++JiIhqxRT0wKCR+sSAD9f85E978MLubqHsL8+fg3PmtFf/5JbjH+4fW4cg9TG43yEFGYaBfT0DQllnm1cDZqTJUoHhz1wgAEyan/9ZePXo7b//JvDkHWMeL31mR74zohOA087P/4z4Ukvx+gTDQMNEYM7r8z8AsPIvgf++prTfh4iIiGxjWkTGc6hUjaMJYP4lbtfC157ecRT3vXhAKLt62QxcfOZUl2pkH/Peh/sjKpXcVtwf+xqrWwqYiYQCvr+YSzAgB8y4VBEiIiKqiMFj8bqiFbn4q9ftPpY0nYtfdU6HS7VRlRc+88X7fUkpYGYCA2ZoHGqPJJAt5Hlw8pwHIiIiohLVW89ibA/6+4lE4kOu1YSIaoodYQ/QpPAIhUZuU2mxk90Ycfjr0pCDNvw9AaO+qdHuqw9Vql4uJ4ZMRccJmOGVJcguqbTY9hvDQQTk+PbxWH13cZI6ERGRMkwBMwwaqU8M+HBFV3cK33h4u1DW2d6IW6+Mu1QjZ4S536lfRq74fRTRk8qYrnTX2e7RgJmcHDBTZEwrVOSqjdV+Zq0eL4+DExEREZHSLM9DHtnmfEXqSCqdxed+tUkom9gQwhfeusilGlWDy3iohhSaVwUAvSmxT94ei5gW8fqNPJVAV+w9ISIiIqJRfj92W7Nun7Dd3hTBJWdOc6k2itI0X3TL5fO6TQyYoXHI/XK/7fsIoxfdGcGAGSIiIqpQvfUsXh3z/7tcqwUREcE0scbQre/mguSQFLYRri5so9zUe8MUMMNFCP6h5mQaOd3cllClMicOZaWAGbZ7csKAFDDTFHUgXMnnk+qIiIhUYg6YYdBIXcqli9+HbGUYBm6/d5Mp0PEb1y9DzOkQX4cFIY1vcb/jX7F2cbt7lzv1qEBXd0rYDgY0zGgpEryiKl0KmCkaKlakT16LgBkiIiJSBMfmqUS8uIDjvvP4y9jXMyCUffaqhZg6waP9FIkptIjtiUqleFvpTorjrm1Nkdq/qGEAL/wA2HJffgygpUP66QQmzgIi4wTprv0RsGlNPqS2pbOsx7fljmF3wzsBACkjij3b3gQYi8THt3QA4Ubr197zR+DHV+b//9Z/Blb+ZRV/DCIiIiIaT0A6nvZTxEJON/DL9WLAzDXLZ3LetcwnF4FgwAyVwzSS4KedH+XJcxJ071wMiYiIiNRSbz2L3pH/JBKJ3e5Vg4iIVJ4IIQcOxJwIHBhDHseJBv0xwEnqkhf9NUWcbfMAkNGlYKVy2r3C+xNSm9z2G11o+0RERFQ75oAZftfXpW0PANd81+1a1JVfrO3CH145JpS947zZuGDB5Nq+cPIogIW1fY0iwpp0ZaBgvZ2CqSPTl4nbhzfnFzl5YIyiq0cMmJnZ2oCQV8cf5clSxUKdckPj3140oKaIco81TuzLLzwjIiIiImWYwkCopjbvP4F//4MY2Hne3HbcdE6nSzWqktQn1HiVaKqKPMagVnvqSYkBM+1NDgQtv/oE8PCtxe/X2C4GvrTMyv/buxd4/EvFHx+bJD0+//PNvX81ehdtCAsP3w8cvt/i8ZPNoTOtncAv/mL0Pvd/DFh2MxD2R5gWERERkWrko2ndR/2zZ185hoMnBoWyG1fyfJOZ+bytF1uBfBHZCQ2cg0DjkK8B7k4tqJbkOQm5jPX9iIiIiIqot55Ft9sVICIi9aUyUsCMw4ED8hg2E8Wp1lJpcfDZjZCNbE5s+NEwF//6h7qL6+S2HwvXW/eIiIjI30wBM9UuGidlNYTH6TcP9jpWDwIOnRjEHQ9uE8pmtDTg9qvOtP/F2uYAPbtHt7c9AMx9g/2vUwZzsBX3O741caa4nUlZ309BXd0DwnZn2zhX9VadPFmqWMDLyQPj3y5f7atclo8fZ1zk1SeBFX9R+HYiIiKqmCkkxANBgKSwzEDx+1DZcrqB2+/dhNyYC5FEggF8/bqlCAS8+pk1B4KYQ4u8+ruR6xRbENudFANm2mKR2r9o159Lu99Ad/7n0MbKXid1PP9z8KUKH38s/3PwxfHv98RXgCu/XtlrEBEREdG4NGksSLHD6aqsWbdP2F40YyIWz2xxqTYK0zyw/sI0jGBuqP1SwIwbF5El79Ag7/t8tPOjPHn+o561vh8RERFRER7oMdlqJ4A1AH7pdkWIiEhdA3LgQMTZwAF5GKdgwAwHfMgmqbS4AK7J4TYPANmcLmxHvXrlbCqBOvsuue27Ea5EREREtcOgh/qhaRpemvxWt6tR9wzDwOd+tQl9g+K4ytevW4qJDTX4/C25Qdx++TH7X6NM5v0OQyz9y7sLAvd2i2E4ng6Y0aWAmWJhcsUmV9UiYKZ3T+H7e2FiKxERkW949/iNnKUHoxalbD+18J/P7cam/SeEso9cvAALpja7VCMixSgejtaTciFgxtCL38dL+g+7XQMiIiIi35JzS/0SsnBiIINHtxwSylad0+FSbRSneJ+qVKaAmSjnIFBh5n2fO/WgGpLnJDBghoiIiCpUVz2LRCKxAcBNbteDiIjUZgocCDscOCCN5EQYtEE1pkLIRkYXJwIVDFYispHc9mMMmCEiIvKVkMagh3rS3t4OHHO7FvXtNy8dwBPbjwhl1589CxefObU2Lzj7fHE73V+b1yli7Ly0sBwwE+R+h9Szr0cKmGlvdKkmNshJATPFwuRqHjBj8foHx7laenRida9HREREBWkKhd2Tt1i2HZ8sSFLJvp4UvvVYQihbMLUZH7xonks1solFWzGVsD1RyUyXsnelFoX0JMU+eVuTAwEz8t+gdTYwdTFwch9wYh8w0FP+U8avAk50Vf74M96cf+yJLmCwt7zHhhvKfz0iIiIiKokm9b10tQ6nK3b/SwcwlB2dbx0Oarhm+SwXa6Qwn1zoITkkzkGY0MA5CFSYPOzkk10fjcWAGSIiIrIJexZE5AucIOZF6k6aqTZwQCs76lf8W8iPZtAG1VoqLaWbVxCyUe1+OCudvYmy3ZMDBqS2z4AZIiIifwkx6KGuhDWODbnpaN8QvvibLULZ5OYovvDWRbV70aATi1bKE5T3O8XCLshfDMMTCwW7uuWAmZhLNbGBXuZ3vRxIIwtW+ZkNWIwrTF9S+P5b7gUWva261yQiIiJLDHSgilme62f7sZNhGPjCr7eY5mXcef1SREN+PFfHMSuyiWKXHe9OpYXt9pgD42Dy32DWOcCqH49uD/UDJ/cPB76M+RkJoOneKT6+eRrwjp9bPL7L/BwnuoCe3cLDk+F2NL3zf8c8vg84sX/0/mMf29sFnNgrvr50ISYiIiIisk9A6srrih1PV2r1un3C9mULp6HdkbBHL/LieI65nfYPSXP8o5z7RIVp8rokf+z6aCx5TgIDZoiIiKhC7FkoKh6PzwWwFoCRSCQmu10fIq8xPDkgRKoYkCYyNTodOCCN5DBghmpNbvOxiPOHiNkc2z05T5642lh227dhkjFH74mIiGrGFDAjX8GD/MXIFb8P1cyXfrMFvSkxuOGOaxejNVZfk9nCpmArBsz4lkcXKOd0A/t7B4QybwfMSIExxb7ri02uqvZYwerxS28CfvNR6/tv+RWw6j+re00iIiIispXlRTU8evyvqgc3HcST248IZe98zWycO6fdpRrZSb5MNAOLqAqK73t6kmLATJsKi1qjzcCUeP7HypdaxG1DCngp9/Gm158ATD0z/1PS63NMm4iIiKhWApr/QhZePtyHl7p6hbJV53S4Uxkv0LwwD714v69/kAEzVDp5KMEv4Vo0hnyhKwbMEBERUYXYs1BXK4A28DImRESOS6bFTnb1YRvlTfqQd/wM2vAxRQbtknLATLT6UKXiQV/i7Vld/FuMd3U6y4mdRBWQA2aaHAkUU3siIBERkZ+YA2YY9OBngy3z3a5C3Xpk80E8uOmgUPaWpTNw5ZIZzlZEgT429zukukMnB5GRQn472zwcMJOTA2aKfObcCJgJN1T3nERERFQR87kkjs1TqRgIUksnUhl86TdbhbIpE6K47coCYQxeYwoEsThrrnhoCKnE3J5U0pMSA2baHQmYkf4G1X6e5ICZMlU9d6XK1yciIiKiwuRDRUOBc8nVWrNun7A9ZUIUbzh9iku18QAfdL9zuoGBjDgHYQIDZmgcHHaqAwFprQMDZoiIiKhCXLGuvl63K0BEVG8GXAkcGCWPYUeChb6uvT/YXXcUHbWT23zM4TYPALmcOHGmnGAlfhKoUnLbb3Sh7RMREVHtmIIeggx68LMjC26yvuHSLzhbkTrTm0rj8/dtEcraYmF86W2La//iCvaxQ5o0cUOe2EHksq7ulLDdGA5icrMCVxivlDxZqth3vRxII6vmWCHaAkQ8HNZDRERERHlWi/3V63561jce2YZj/UNC2ZffthgtjRy3IypKoQWxum6gJyX2sdtiHhxfqDLgpfiFl2r7+kRERFSMOsdP5DxNOpese7w5ZHM67t2wXyi7/uxZCBVcY0DQvP+36R8yB0c0VRUw4/EPApVA3Pf5IVyLZKYENXeqQURERJ7n/R6Tf50z/G+3q7UgInKKQh3blMuBA4Y0eBctMWhD58w2qlAyLQ5AN4adTzfP6JUHzJDiFN41yW3fjXAlIiIiqh1TwAyDHnxNDxdY1D91kbMVqTNfeWCraWHYF9+6GFMmRF2qkbvCDLaqc+qMbxYiB8x0tjeaJth6ihwwU+y7vtjVuwJVjIm1dFT+WCIiIrKdJh+befmYh5xlOW+B7ccOf9p5HD9/oUsou2zhVLx5yXSXalQLmrRlmPdHbE9UKtN3lzrjDn2DWeSkFbptTQ4EzJj20dUGvLj8N2XADBERkcN4LF5PAvL6e4WOpyvx9I6jONonnpdfdQ7PTY3PA595ud8n9VGStgfMkN+Z933kOzzXQURERDbhyl0FxePxiQBuc7seRF5inpBBylO0Y6vrBgYy4mKgWMTZgTh5/gKDNqjW5FClpqjzC29zOXHiTKnBSkTVGEi7u78nIiKi2jIHzDDooS7xfa+Zp7Yfwb3rxaukXXrmVFyzfKZLNXJ/fDDI/U4dUXNssxhTwExbgXAur8iJV0sv+pmT7y+rJmAm3Fj5Y4mIiIhIGZZzTxSd2+AlQ9kcbv/VJqGsKRLEV65Z4u3QS6KaUvez0ZNKm8raYw4EzPiN2wE3RERERD4WkPqauscPvVav3SdsL+9sxYKpE1yqjUf4YLzBKmCm2c6AGe//iUhSJLOIfIlvMhEREVWGKyirFI/HrwdwLoAVANoBtFb5lHY8B1HdMzjaQRUazOZMZbGIu1e5jwQZtEG1k83pSGfFcBc32rx88obBSj6m0Gi1HK7UGHZ3f09ERET20aAjqEnHHUEGPfjdP2ZuxN+F14iFQQ6B18LJwQw+Ky0MmxAN4WvXLXVwYZga439jf9+wHDDD9keK6eoZELY72z0eMKNLgTHFvuuzg+PfPl7ATOtsoHdv4duDFSyki00q/zFERERUEnNvQY3+A3mBVcAMz1tW63tPvYqdR5NC2aeuiGNmq8+CGi1W8ZhCi3ywwI1cotB59m4pYKYhHECjI/NM1Po8VT0/0TDPUSMiIiIie8hHaoZCx9Pl6k6m8cT2w0LZqnM6XKqNh/hgPKdPCphpDAcRDHBcgQrTpL2fwfARH2KKEBEREdmDs5srFI/H3wfgLohhMOypERF5nBw2AKCCSRBldtKlCQ9yH59BG1RLqYxVqFL5h4iWV/OrAoOVyAly+3c7UIyIiIjsE4JuLhxv0Tj5gm41PBtgsFAt3PnQdhw8IQY1fP7qhZje0uBSjdQQkgNm2P5IMV3dKWG7o83jizl1+TNX5Ls+eXT828cLqLngE8CDfzfOYys4zlhwefmPISIiosow0IFKZTkhn+2nGq8c6cP3fveKUHZWRwv+4vw57lTIUVzgQVUwfXep0556kmLATHusgtBVW3h8/8xFYEREREQ1I18URb4Ippfct2E/MrnRXyAaCuDqZTNdrJFXeLG/IDbUpBQw09zAeU80PovsY/IbnusgIiIim3DlbgXi8fi/Afg+gDbke50jP0C+R2fXDxEROWzAImDG6cABOSmYATNUS6kh99u8lWiY7Z5qbyAtnnyJRcs9+WJ1FctyB2552E9ERFQLIWTNhQyYqU9832333CvH8PMX9gplr18wGTed0+lSjYYpMDPGHDDD9udboai5rFh4iQK6esSAmdntMZdqYpNcRtwu9plb+Vfj3z7e48/9a+AvHxjnsRUESnHyFxERUc1omvv9A/Imy4tqnP4m5yviE7pu4PZ7NwkL4YIBDXdev8ynV9w2/06llBBZU7etdEsBM21NDgXMKDD+J6ryPTIsgvKJiIiIyBZ+OgWzZt0+YfuKxdPR0sgLnRSleWEe+vgN1RQwU/YcZ6o3covycrgWFeKjLzgiIiJylRd6TEqJx+OfBvAB5I/IGApDRGQbNXahybR5EWJDqLqwjbJ/M6PUgBk1/mZUDfffw5RFm49FbBiArvLsTDRY+HPHYTGyS0oKFYuF3Q9XIiIiInuE5ZAHgEEP9SrI991OqXQWt927USiLRYK48/qlpqvA1ZyCswJN+54gJ/b5VksnEG4Syw5utL6vIgYzORw+OSSUdXo9YEaXAmaKfeYWXz/+7cWOFeZeCMQmW9/GzzsREZHi1Os/kKKsFvtPmOZ8PXzif//chT/v7hHK3n/hPCyaOdGlGtWYxWWiLUOLiCqhUFPqSUkBMzGHAmZkVY8PuvxHZcAMERERERWx5cAJbD14UihbdU6HS7XxGIv+gqH6GKG0hqRvUJzj3xTlHGcan3nejkKDCVQbyoXxEhERkVcwYKZ8t0MMk9Fq9ENE5WCniGxiChuIBBFw+MpZcmuOBEv7uuanwAvU+4qX23wooI0TauScaNj9OpD/We3za07BRbBERER+FLQKmOHCb9+znAzEYCFbffPRBLq6B4Sy26480/shFTYJatK+h+3PvwIBYPICsaz/kDt1KdG+ngFTmec/u7oUnBwo8l3f2Db+7ZHmyusy3ue90PPyvAYRERGRcqzP4vDcTiWOnBzEnQ9vE8pmt8fw8UtPd6lGimBzolIpvCisJyUGvrY1ORUwo87fwBbJY27XgIiIiKhuGB49J7N67T5he2ZLA143v8DFEEikeWAeepH5xMkh8Vxoc5TzD2h8FtnH5Dem3QbfZCIiIqoMexdliMfj7wfQivzR18gh2RoAvwWwE0D3cFlvhS/ROvzv5QC+AR7lERE5bsCNsAGJPJCjQtgH+ZcrARslKDVYKY+z8KgyqbR48qVRkfZPRERE1QtZBcww6KE+8X23zdrd3fjP53YLZefOacN7XnuaOxUycX84PSzvexhs5W/FwkwU09WTErbbmyLen4SYkwNmquzXT11Y+WPH+7zzu4iIiMhxmtw/YPg7lcyib8n2U5Ev37/VdKXtr123xOfn4zRpyzDvj3hum3ygJ5kWtttjbo2RuPt5sgw8L8f+tfZUhIiIiIhM/NDzSmd1/PrF/ULZDSs7EHT4wrne5cG/0/+9C33z3oIJCy8B5l6E5JA4puD5c7tUc5rU7hkw40dMESIiIiJ7sHdRnsvH/H91IpG4uUavsyEejwP5kBkiInKQHLbhzuQmsZMfZcAM1ZAcsBGLOHR4qBXeDAU0BHgCxEfUfC913cBgRhfKHGv/REREVHMh6OZCLu72vQDf95oZzORw65qNwryEaCiAu25Y5l7/LdIsbg/0AkN9QHSCK9UBgBDksAu2P1LHvm4xYKazrdGlmthIF6+YXjTUqdjC4Enzi79moecYL3Doiq8Bv/5I8ecmIiIiItdphsXYgqLnulT2+NbDeHDTQaHs+rNn4cLTp7hUIyIfUGjBULcUMNPWFHHmhRX6GxARERER1doT2w6jJyWeC7txZYdLtfEgzQvrL8xjThN2PgjsfBAA8J7wFEwPx/Fcbgme0xejKTrT6QqSx8insg0FLtRENmMYOhEREdmEs5vLswL5Vf9rahguM2Ld8L/tNX4dIiJ3mEYv1Bi8MIVthJ3/qpT/FBEGzFANyaFKMQWuGMdQJXLCQCZnKlOh/RMREZE9QlrWXFhs0Tl5XlBjwEyt/NPjL2PnsaRQ9sk3nYF5U5oLPMIBU84EtCBgjBzbG8DhLcDs17pWpRCkfsZ4gRNEDtsrBcx0tMdcqomNclLATLWfuWC0iseO89qLrgVe+l9g9zPSDWqMiRMREfmRZvqe5aRrKs1Q2+mYsOthsZCT9svSP5TFF369WShri4XxubcsdKlGDrJoK6YSticqlamtqNOH7EmJATPtTgXMyH+Daj9PVf5J1XlHiIiIiKgYLx67rVm3T9g+b047TpvU5FJtPMgH3e+JmaO4IXgUNwT/AAA4trMDuP9yYO4b8j9Nk12uIanGNJLgxZ0flYlvMhEREVWGq3fLMxL2cpsDr9XtwGsQEZFkQArbaKwgbKDa8Ui5ix8JMvCAascUMBOtrL3ZOQ7PUCW/U2MgU277AANmiIiI/CQshzwADBqpA0FYBczwGK9aG/f14ofP7BTKzupsxV+/fp5LNRoWbgAmSlfoGuh1pSojTPueIPc7vuaxRYFd3QPCdmebDwJmdDnUqcrPXDXfGeO9drQZ+ItfA8vfVfnzExEREZEj+hZc43YVPO9bjyVw4MSgUPb5tyzCpOYqAh29iqt4qBqaNG/CsBj7dEl3UgyYaY05FTCjlomZo25XgYiIiIgK0Dx2Hk92pG8Qv9shHm/eeE6HS7XxKLlPpaIy2+nk9D5g3Y+BNe8Fvjkf+N7rgEduBxIPA4MnalRJ8hLTNcDdqQbVlJoXeiciIiLv4ezm8rQCMBKJxG4HXqt3zGsSURHeHgIklZjCNhwJGxBbsClgpkDYhsaxALJBKp0VtmNh9w8PGTBDTpADxQAgFimz/Vvuh8s8KuHALhERUU1YB424f6xLtTUNPeZCjQEz1Uhnddy6ZiNy+uhxazio4Zs3LkMwoMCInGITA4NywEwg7E5FyB1y2IliunpSwvbsdj8EzGTE7aKhTkX2GcESPrPJAovHij02EASapxZ/fiIiIrKF6Vtfra4DKcywHD9iAyrVi129+M/ndgtlFyyYhOtXzHKnQo6zaivyuUC2JyqRwgEzPSmxP97uVMCM6dw6P09ERERUGI8UyMt+tX6/cI4+FgniLUtnuFgjL1J/L5DO6ZB7UzkEEGyeCvQfKv4ER7bkf57/Xn5uzMyzgblvyP/Mfi0QbqxJvUldcrgWp6j7kGmeFN9kIiIiqgxXVZSnFw4deSUSiV3xeHylE69F5EeGof6AEKlpIFODgJlyFztJIzmlhm0YHhgIJfWYQpWidi2+rLw9RkNcAEq1l5TClTQNaAgz3IiIiMgvwhC/6xEIKRdEQfaa3BzBWcE/mm/Qs+YyKtn3fvcKth/qE8o+esnpOGPaBJdqpLawJgWMlBJWQd4VmyRud7/qTj1K1NUtBsx0tvtgQmFOCpipNtSpmjC6of7qXpuIiIiIlKBZrbrgmFJJMjkdt9+7SZjuEA0F8LVrl3r+yvEl4wIPspMcnK1IwIyuG+hNpYWytiaPjoENnXC7BkREROQgHp3XNy+FLBiGgdXr9gllVy2dgaYol/+VxQNjEcmhnClgZgANaP7kduDYy/jRT/4LM7r/hPMDW9GqJcd/MiMH7F+b//nDPwLBCND5GuA1HwAWvnX4Ph76IFBF5GZv8D33IfX3bUREROQN7GGWpxvAXKdeLJFIbHDqtYiIKC85JC48i0Xc/6qMBBl44FsKDNqlTG3e/XCXYqFKAc39vxt5nxyu1BgOOjS5lQO7RERETghCmmxfzYJx8oS5k5uxB1MwD/vFGzwwaUhV2w6exL8++YpQtnDGRHzoovku1Uh9IUgBMwH3+9hUQ9OXATseGd0+vMW9uhRxIpXByUFxDKizLeZSbWwkh4hVG+pUzfFC8mj5j5EDcoiIiMg2mmnZGPuGVBrN8jwk208p/uMPu7Dt4Emh7OOXnY45k5tcqpEKDPP+iGNVVCpNmjehSMDMycEMdKlZtzfJSyIdws8TERERERXg5UPFF7t68coR8cIGq1Z2uFQbD5P7VArqT+fQZnWDpgFTzsB94TdjY+Z10KBjkbYXXz/rOM7KbgT2PAdkigTO5NLA7mfyPzf/FFh4dS1+BVKMJo1jcsVFHVBgPRIRERF5k/o9JrVsAIB4PL7c5XoQEfmAmldukgMH3AjbkP8SxcI2yEMUPGNhbvPuL7yNltvmFfy7kvoGFNjfExERUe2EIS04D3j0CqpUsmBAwz1Nt5hvaD3N+cr4QDan49Y1G5Eds1okGNDwzRuXIaxUEK5a40vmgBnue3xtwnRxOzPgTj1K0NWTErY1DZjZ2uhSbWwkB8wUDXUqso+oJqCmlIV+zdPE7eMvV/56RERENC4GOlClDIupdAbbT1F7jifxT4/vEMrOnD4B779wnks1cou5rbD1UMXkxZB6zvp+DutOpk1lbTGXAmaIiIiIiHxo9bp9wvbs9hjOm9vuUm28TO0e+b6eFIYy459f7B++iKyBALYYc7Bv0fuBd68BPrMH+H+PAhd/DphzIRAs0ifb8XCBG9T+G1H55GFMg+Ej/mMaq+Z7TERERJVRaSa4F/wf8j2om9yuCBER1YYcONCoQOBA2WEb5CHuD+gkFQzZYKgSOSGVFhehqbC/JyIiIvuYQx74XV8PXgyehcdzZ5/a/uPrf8RFhBX64TO7sGn/CaHsg2+chyWzWlyqkTeY9j3VhFWQ+jy0f+nqFgNmZrY0+mP8JZcRt6sNdQpUEbxcyud9+jJx+8h2XlGMiIiISDHZ1rk4ZIxeO/qw0QpMOdO9CnmAYRj4/H2bMThmUZSmAXdev1SxkFrnaZbH+97pS5LLFB136EmJATOxSBANYYfG302fKTX/RkRERESkHq+ELAxmcrj/pQNC2Y0rO6Ap2j9QmhzaqZjHthyGUaRPkxwS5zk3NwyfywyGgdmvBd54K/BXDwC37QHecx/w+r8DZq00/+7ZIRtrTipj9Eg9MKUIuVMNIiIi8jy1e0yKSSQSawCcAHBbPB6fWMvXisfjLfF4/Pp4PH59LV+HyC9MVyAjqlAqw7ANqiX1BvgHpJCNWKSKhTQ2idT5REPfUfTE1oC0v29SoO0TERGRfYKadJUfhjzUBUML4H2ZT2PO4M8wZ/BnOD71fLer5EmvHu3Ht6Wrji+Y2oyPXnK6SzXyDnO4Ffc9dUXhiTtdPWLATEdbo0s1sZkuBcwU+74PF/m9q/nMlvLY5qnitp4BjPGvTEhERESVMZ+ZUPNcBSlIC+C2zC3Yq09Blz4Ft2VugcHpdeO678X9eOblY0LZX54/B2fPbivwCB+z2NVwPhPZR4221J0U++JtsYhLNQG/3omIiIioIK8eKj665RD6BkfndWsacMPKDhdr5GGKB8w8suVQ0fv0D0oBM9EC61oiMWD+xcBlXwTe/yRwwSfE2xU+j032kqfs8633IUXXZRAREZH3cBVl+W4DcA+AHwB4ew1fpx3AGgA6+D4RlY39YKqUPWEb9rbAwmEbbOlUvVTanlCl8ifGFR7cijp1dSuqa3Lbb1QgUIyIiIjsE4bYt2PIA1FpcrqBW9dsRDorXnX8rhuWOXclYg/StPzEnLAcMBPk0D6pYW+3GDDT2R5zqSY20+VQpyo/c4Eq9nP8vBMRERH5gqYBT+tn4Q3p77hdFU/oTqbx1Qe2CWUzWhrwqSviLtXIbSVcJ5qLQKhkaraVnmRa2G5rcnLsnfOkiIiIiKgyXjmSXLNun7B9wfzJmNXqkwtHOE3h/vex/iGs3d0NY5zulK4bSErznJujJfa/TL+7Vz4BVC1NGkvgO18P+C4TERFRZdSO5FRQIpH4AYAnAKyKx+OfrOFLtQ7/e6KGr0FE5B5F43FNgQMKLJ6KhEr7ujYUnVxC41Cg3dsVMFOtsQE1hUOVyBcUaPcAkBySA8Uqaft2TApV4+9BRETkN0HoYkG1C86J6sR//3E31u3pEcr+3wVzsfI0Ra86rtiksJAp3Ir7HlJDV/eAsN3Z5pOAmZx41fSqP3PBKhbFVfraioyTEBER+Y3pwgiK9R3IW3jEVtjXHtyGbils4ivXLEFzlP3hPMPiQi3cH1GFFOk/9qSkgJlYxKWaAPw8EREREZGf7O8dwB9eOSaUrTqnw6Xa+IBmNRddjT7E41sPQy/SxUtlcqaypmip85zVXKdDtRcwvfV87/2Hn28iIiKyB1fvViCRSFwO4EUAd8fj8a/X6GXaa/S8REQ0jlqEbRQNfpEmNMoTjEoNmCEPUHDyaioth2zYNdmv8t81yjZPDhgwBYpxoisREZGfhOWQhyC/64mK2Xs8hbsfSQhlp02K4VNv8tBVx12cOKFBR1CTXj/g5BWcyXnqjfMU0tWTErZnT/LJlQ51KWCmmoAYoLqAGn7eiYiIiHzCO8f5bnv2lWP45XrxyupvXjIdly+a5lKNFKDgfADyMEXbU7cUMNPe5GDADBdNEREREVGJFD2cHte96/YJh7wTGkK4YvF09yrkeeo2gke3HAIw/hqT/sGsqazkQF/TB4B9qbohvffsRvsQP99ERERkE67erVAikViJfMjMZ+Lx+I54PH6dzS9x+fC/3TY/LxERjcMUtuHylbUCGhCSo4SJbFSLUKVqMWCGnCCn+zvW9r145pKIiMiDQpCu5FPNgnGiOmAYBj5z70YMSMfJ37h+GRoV6Cd6QQi6ubDasAvyGDUn7ui6gX09A0JZZ1vMpdrYLCcFzFQb8lLF442SjjU4JkBEROQc+diM38NUOV7p12wwk8Nnf7VJKJsQDeFLb1vsUo1UYb6CsGnvw3OF5HE9STFgpi3mYMCMjJ8nIiIiIiqV4l17wzCwRgpxfetZM9EQ5rn6iinaX+gbzODZV44XvV//kDlgpqnkdS3m8QmqD2q2erIX32UiIiKyB1dWVCGRSKyMx+OfBnAXgDXxeBwA1gD4M4BeVB4OczmAW+yoIxERlccUtuHywGwkFICm6AAn+YOKATORsgNm+Bmh8g0o2PaJiIjIPqagh2oXnBP53P/+uQvPvSpOYnr3a2fj/PmTXKqR94RgnuDFcCtSwZG+IaSz4vdiZ7tPAmZ0mwPlApWPDaSNAKIVPZITOomIiIhUwlPzpfnnJ17GnuMpoey2N5+JaRMbXKqRIjTxPLfGBVxUFTV3SN1JMezV2YAZfqaIiIiIyJ/+vLvH1M++cWWHS7XxCU3Ni50+lTiKdC5/7tYilvaUpBQwEw0FEA6W+DuZBrjYlyLyLY4/EhERUYU4u7kK8Xj8fQBuGt4c6YHdOPxTLTXPEBIpi50isodqgQORUgcCySPU+3pPpcUB6FjE/cPDaNkBM0TlU7HtExERkX1MQQ9BftcTFXKgdwBfe3CbUDazpQG3XXmmSzUqhzr97DBy5kIGzJACunrEyaiRUABTmiuLQlGOLi5qq+r7PhCqajWxwTA7IiIipZi+1ZkaQmSbbQdP4ge/3ymUrTytDe88b7ZLNVKIafGajoAmz2fi/ogqpMiCoZ5UWthub3KwP2z6G/DzRERERONQ5PiJ3OKtY8XVa7uE7flTmnB2Z6s7lfELRccDH918qKT79UsBM83Rcs6DSr8794d1y+A6O/9hgBQRERHZhLObKxCPx+cA+C2AecNFY4/G7OqFGjY+F1HdGS/Nl1ShZsc2JQXMNLodMBMa5/U52Od9CryHcpuPRd1t80B+oRP5iZrfyaa27/L+noiIiOwV1HSxgCEPRJYMw8DnfrXJNDnp69cvxYQGhiWUI2QVMBPk39DXgtIVulPd7tSjiK5uMWCms60RgYCaffWy5aSAmWpCXqoNiGHADBERkVI0Rc49kz+wNY3K6QZuv3cTsvroXyUc1HDn9Uv908+ohhQwoxl6gTsSlcD0kVJjbyQHzLQ1RQrck4iIiEg17LPUMzWOpq0lh7J4cNNBoWzVOZ3QFA1I8QxTCKz7BjM5PJU4cmp7vHZpCphpKGPeEwMo6hZ3G/WAbzIRERHZgysryhSPx1sArAfQgtGjsrG9Lfa8iNzAPhLZQNcNDGTkwAF3vyqjDNrwF8VG7XTdUDJkgwEz5ATVAsWIiIjIXmE56IGLvoks/WrDfjyVOCqU3biyAxfFp7pUo2q5NzxvGTDDcCt/mxIXt4+/AqSTQKTJnfoU0NU9IGx3tsdcqkkN6PL3fRWfuWo/r6U83mpsUIEAaiIiovqg1jk6Uhdbyvh+8vwevNjVK5R96I3zcca0Ce5USDXy4jWr433F5gyQytRsKz1JMWCmPeZkwIz0meLniYiIiIh84KFNB4X5rMGAhuvPnuVijXxCwYCZP7x8THivx+vRJKWAmaay1rRIz8zzkUT+IY+F8PNNREREFVKvx6S+1QBah/9vQDxrpdn0Q0RELhjMmhcCVRK2odnYSWfQBtWSVZsvbwB6lJ1XgoyGGPRBtZdKiydf7Nvf83CeiIhIBSGI3/UMeSAyO9I3iC/fv1UomzIhir9/yyKXauRdGgoEzAQZbuVrU86UCgyg75ArVRnP3u6UsN3Z5qeAmYy4Hazi+76axwIw+HknIiJSium8FRegUxU4Rz/vQO8A7n5ku1A2b3ITPnzxApdqpCBp8ZpmWIwVEFVKgZ1RTjfQOyD2xduanAyYISIiIiIqjZeGglav2ydsv/GMKZg6scGl2viJeo3g0S3iueSGcebs90sBM83RMs5leukDQDWlwFAC1RzfZCIiIqoMV1aUIR6PtwC4DKNHXyO9rl4A3WP+rUY7gHkYDbEhIiKHjE2EHtFYQeCAWbFBOk3aGu3kR4IMmPE3dwd0atfmUdXgNIOV/E6NgcwBqf1XEjBjC47eExER1UQIulhQ5aJxIj/6wn1bcEJaEPK1a5egJeahkASFJkaFNItFYwEP/S2pfEFvLKDq6pECZtobXapJDeSkgJlqPnOlPvbc9wN//qGp2Aj7KLiHiIiIqI5pCvUzVWIYBr7w6y1ISufXvn79UjSEefGQU0zthxeroCoouD86MZAxnd5uizk4PmI6t67e34iIiIiI1GQoOk9zz/EkXtglLkFbtbLDpdr4jKbWXPRsTsfj2w4LZRMawkC/eL+RlmoKmGkoZ96T1Fc61f7V/ByQfTT2k+uA/Pl2pxZERETkfVxZUZ5bxvxfA3AbgDWJRGKX3S8Uj8fXAlhh9/MS+RW7wR4kT4RQYOA2NWReCNQ0TjK0Exi0QbVk1eYdC9nQKgxWUmBfQf4gByw1ury/JyIiInuFIE60YMgDkeihTQfxiHR1rLeeNRNvWjzdpRp5X1je7wBAgP0Mct++bjFgZna7j4JQdClgJlhNwEyJn9dlN1sGzKQXvBmV/WU51kVERFQL5vkDnFFAlTN4zIZHtxwyLYK6+ZxOvHbeJJdq5BFW57YVDA0hr3B/X9SdTJvKWr0UVk1EREREpJhfrtsnbLfGwrhk4VSXauMzivW/X9jdjZ6UeG7TKmBmRP+gOP+gKVrG3APTr+5+f5KIbKLYvo2IiIi8i7Oby3P58L+9AC5LJBIbavha3x/+IaIKGJwgRhVIZcSBOE0DGsLuBrwwYIZqybLNh9y/wlzU5c8d1Qc5YKbJqXAlHqMQERE5IgQpTJEhD0SndCfT+MKvNwtl7U0RfOmti1yqkY1cDCU17XcAIOB+H5scplgwbjqr4+DJQaGso81HATM5OVCuiu/7YImPNSw+6wByk86o/LWJiIiISBk8i2N2cjCDL/x6i1A2uTmC268606UaqazwRVaIyqfeHqknJQbMNEWCaAg7Of4lfaa4qIqIiIiICvDCkaKuG/jl+v1C2bXLZyGqwDxuX9DUmov+6GbxAkBLZk0cd51Ickg8D9ocLaddlHghaPapfE+x6QtUE3yTiYiIqDJq9ZjUNw/5I6/31zhcBgDWDv/bXuPXISKiYXLYQGM4CM3lgbNIcLyvag4GeJ7Lo3bJIXObDwTcHywev91b4AA3VWAgI7V/xwJmiIiIyAkh6GJBqYvGierAV+7fgmP94mKQL71tMSY1R12qURWiE8TtE13u1ANWwVZh9lfJdft7B0zDT53tPgqY0SsImJnYYV1eajjN9GWmok+kP1zaY4mIiMgxplAHHptTFep9Icbdj2zHkb4hoewLb12M1ljEpRopTN7XWDYe7o+oQgrsjHqS4phiW5Pb+wGPf57a5rhdAyIiIqK64f7RtNlzrx7H/t4BoezGlQXOY1H5FAqY0XUDj245LJRduXj6uI/pl+b4N0fLmPdkGgtV8RNAtcBh8DqkwHgREREReZM6PSZvaAeARCJxr4Ov2ergaxER1bUBKWAmpkDYwHjJ1DLD6xMn6oFio3bmNq/Gotuoo1e4onolp/ur0v6JiIjIHiFNXnAedqci5Cqd59BNHt96GPe9eEAou3zRNLx12QyXalSlaUvF7UOb3KkHLAJmgtzv+J5i4zxWurpTwvbEhhBaGn3UNvWMuF3K5275OwvcUOL7GYlhcPl7haKH9NeU9lgrhl78PkRERETkGA8c5jtq7e5u/OT5vULZRfEp3h1HcBwHp6gKCu6QelJiwEy70wEzfls0teztbteAiIiIiFy0ep148ZSFMyZiyawWl2pDtbRx/wkcOjkolF2xeDrGOz/ZPySeB20qJ2CGa0qI/IsBUkRERGQTrqIsTyuAHodeqxfABvBIj4h8S72Bq5QUttHosYAZonIl03LAhvttHgAiQbZ7X1Fw4ltONzCUFRdwqdL+iYiIyB4hSIu1AxwGrQdt0pWzdx7td6kmajoxkMHn7hMDWCY2hHDHtUugKXjcXhL5Kr+DJ1ypBmARMMP9Dimgq0cMmJk9KeZSTWpA183hLKUEyjVPtS7v2VXySycvuwvnPX8+YhjCIbSj5LHuxjaL190NTF1Y8msTERFRaTTTVBuP9nmIXJTO6rj9XnEcoTEcxFev8fA4gsPM+yIoee6UvML9aaTdSXGBozwe6zivfZ7ibwESD45uc/yQiIiIqGZU77eeHMzgkc2HhLJVKztcqo1PWbQBt3pV8ns9b0oTFkxtHvcxySFx/kFzOQEz8u/ut7BOKpmhwFgC2U3t7zciIiLyDp6hKE+vUy+USCR2AVjp1OsReZ3lpAzyGPffw5QcthGu9GvSvt+FATN+5267H5BClaoJ2LBzqCrKdk81NpDJmcoaw5W0f04KJSIiUpUp6CFYwoJz8rxlHS14YXf3qe2N+9wLG1HR1x/chsMnh4Syv796EaZNbHCpRjZQ5PBb0zSEGTBDAGCY+5tu6uoeELY72/wUMJMxl5Xyfa8XeI9C5e0LT6IZJzE68bOkUb5YOzCxAzi5b7Ts0GYGzBAREdWAIl0FIk/7/tOv4uUjYnjvJ990BjrbfdSvqDUu4KKqqLcgsCeVFrbbYk6Pu7v/N6gK5xIQERERuUaBw2nBAy8dFC6SGApouGb5TBdr5EdqHH8bhoFHt4gBM1csnp4PQRqnj9A/JK5rKStgxvS7K/YBoJpRo9VTTTFAioiIiGzC1bvl2QmgNR6PT3S7IkQ0PnaRqBJy2EZjFWEbY5XbHsd2+aNBflX7i1rDdkk5VMmmNl8tBsxQrcmBYoCb7Z9HLURERLUQhvR9H1DjWJdq67RJ4gKn/kHzcV+9eublo/i/tV1C2RvOmIIbeRU02zDYqg4FQkBDi1h2/BV36lJAV3dK2PbVQtCcRcBMKcFOhUKAygiYqeqqly2zxO10v/X9iIiIyF5c0E0l0hQ7n+uWV4/241+eFPs3S2ZNxF+9bo47FfIK0wIP3epOjlSFqBa6k1LATFPEpZqM4OeJiIiIiKypfqS4ep147v7ShVMxqTnqUm18SpHxwJeP9GPXsaRQduXi6UUfJwfMNJUTMMMACqI6ws83ERERVYard8vzxPC/l7paCyIiqomkFDDTFHVoAeI445eRcYM2OBjgeS4P2MqhSmUNPtfQ+O2ePE+BExVy2weAWESN9k9ERET2CEJavBFg0ENdUGSCkGqSQ1l85pebhLKmSBBfv25JdSEJKnKxvxEyBVtxv+N7mgZMXyaWHd7qTl0K6OqRAmbaGl2qSQ3oFiFipQTMWD0OKCtgpjo+2+8SEREpy/1zEeQfCpzacpRhGPjsvZuQzo2OrwU04BvXL0OIF8gpglcIJxuZxu3cb0+9KTFgpj3mcMCM73bIfvt9iIiI1KLxu5bGMBRqD68c6cOGvb1C2aqVne5UxtfUOCf36OZDwvaMlgYs6xi5iEnhOialgJnmhnLmOKvXnyR3+K4bTTB9vvkmExERUYV41rc8/4v8kdjtbleEiIjsN5AWB+Iaw+6HDZQTtGEoMhBK41Bs4V5KCtloDDsUqlQEg5Wo1uS2r2lAQ9ihrpFi+wEiIiK/MgU9BBn0QPXr7ke2Y3/vgFD2masWoqMt5lKN/CkkB1sF3R9XIgc0TxO3Mynr+7mkq1sKmGn30efeKiimlO/7QgEz4eoCZiqft8WxLiIiImdwbJ5Kw9M4wOq1+/CnXd1C2V+/fi6WzGop8AgqxLI5sZFRydRrK91JMWCmrcnhgBm5D83PExEREZXB4LEDKWL1un3C9uTmKC6KT3GpNlRrj2wRA2auWDy9pAsB9csBM9VcRJYBFHWDX3V1gG8yERER2YQBM2VIJBIbADwBYGU8Hr+4lq8Vj8fnxuPxl+Px+I5avg4RkWvkjq0CA1dy4EAs4n7YRoRXAKMaSkqhSm62+bF7hGio3HpwoIzKk5LbfjhY0gkbIiIi8g5T0EOAQQ9Un17Y1Y3/+uMeoew1c9vxrvNmu1Qju6lzHB+COK7E/U6dULgv2TeYQU8qI5T5KmAmlzGXlfK5i02yLg84FEancJshIiLyE9M3Lr+DqQoqXeW81o72DeFrD20Tyma1NuJvLz/DpRp5jILzYMhHFGhP8jhDu+MBM0REREREpVF1KCib03Hv+v1C2fUrZiHE9QL2U6ARdHWnsOXASaHsTYvHXMCkQB0Nw0BSCphpipQx/8D0vO73J4nILvx8ExERkT3YCy3fB5A/Glsdj8cn1PB1WgHMH/4hoqLYKaLqKRkwE+JXNdXOgNzmq0k3L1vhgXu2e6o1eX/fWM6JFyIiIvKEkMagB6LBTA63/XKjUNYQDuCuG5YhEHB/MpXfhCFO8HIsrIKogK7uAVPZrNZGF2pSI7pFwEywhM/d0pusy8s4VuAelIiIiMi/rNb16HU0HeWrD2zFiQHxWPuO65YgxnNpJeICD7KRAoshZd3JtLDdGnN4/MsUsuPu32hX4+LqnkCB0CAiIiKieqHKodczLx/D0b4hoezGlR0u1cbv3O9TPbrlkLDdFgvjvDntRR83kMmZxqMmNJQzNsMAXMrjO18H+PkmIiKiCnH1bpkSicROAB8E0A5gXTweP63GL9lb4+cn8iVDgQEh8h45bKORATPkc8khKWAm7H6bB4Ao2z3VmIqBYkRERGQvc9ADF8FQ/fn2b3dg17GkUPapN8UxZ3KTSzVygnsTJ0KQgq2C3O/UB3XHobt6UsL2tIlRNCgy9mOLnEXATCnBTpGYdXnAob+NJo17ZcxBQERERFQ9zdQ3UPe4jdQStAhk1etkkv5TiSP4zUsHhLK3nTUTF8enulQjP7BoOwqGhpBXuLsvyuZ0UwBVe1PEpdqoYShQYIyhEH7+iYiIiOre6nVdwvZZHS04Y1otr3texxQ4/n5sy2Fh+7KF0xAKjj1XaF3H/qGsqaypnIvImn73+hjbIkBToN1TjfHzTURERDbh6t0KJBKJHwD4DIAFANbH4/HravAy5wz/212D5yYiIgupjD2BA+YJi5VjwAzV0kBGHICOlTP4bMJ2T4WoN1gtB4pVHDBjOaFYvd+XiIioHgWhSwUOX0mVyGUvdvXih8/sFMrOnt2K914w16Ua+V9IkwJmSgm6IKqhrm4xYGZ2e5mLnlSn58xl1XzfVxlGZ5Q6NtY6W9w+vLWq1yUiIiIiewUsFmEYusUdfSaVzuLzv9oslLU0hvH3Vy9yqUYeJbUfrR4aD9WQWuedewfMQa/tMacDZqS+t8sL57iEi4iIiEhdmmLH0wDQk0zj8a1HhLIbz+l0qTb1wN02cLRvCH/eIy4HvHLJdPFOBfo0/YNWATPlzHOWnrdOwpOJ6oN6329ERETkTVy9W6FEInE3gJuQPzJbE4/HX47H45+Mx+Nzqn3ueDw+EcAHqn0eIiK1qdexHUhLYRsRe640bZT5u44NqIkEC39Vaxzs8wF338PkkE0hG1aqmMjDgBmqtZQUMNNoZ9svF/flRERENRGGHPRgT/+OyAuGsjncuuYl6GMONSPBAO6+YZnlldipehqAkLzfYbBVfQhI/cl0vzv1sLCvZ0DY7mzzW8CMeWEbtCrGlOT3chxVrV+btkTcPv5KFU9GREREhZguCMIrt1KJrJqKXgfncr792x3Y3yv2IT531UJMmRB1qUZeVcoVhLk/ogq5vC/qTaVNZa2OB8zI3A6Yqfb1/f/9QkRERKQKFY68fv3ifqRzo0GkkVAAb1s208Ua+ZzL44GPbzssdOOaIkFcsGBy0ccZ0Ezz+yPBAKKhMuY5m3734YrUwRgXifiW+5D8+eabTERERBXiyooyxOPx66UiHcBtAO4CMB/A3QDujsfjANALoHv431K1Dv87r4pqEhF5lPsd25qGbVQoWkbQhvt/QSpOrcliA1LIRpMCbR4or90TVSIlBYo12RQoRkREROoIMmCG6th3n3wFOw6LIRcfv+x0nD5tgks1qiGFFomaAma436kP7dLpnMNb3KmHhb3dKWG7o91nATM5KWAmEK5un+DUZzYq7YuNnPX9iIiIiMgVAYtjSr8HzGzefwL/8YddQtlr57Vj1TkdLtXIR/zddKjWFBr3AoDupNgPnxANOX/xIM/vj9V6T4mIiIjIWavX7RO2r1g8HS0xXrSkdtw9/n5k8yFh+6Izp6IhLM/Tt65j35DY/2qKlju/v9QACvZRiLzP62MlRERE5BbOcC7PvwNoKXCbAbF31Tb8Q0QO0Dx/AplUkMq4FTBTeHDO8ckYVFeSUshGoyIhG5HgOO2e+3sfcP89lMOVGh0NV+IJGSIiIieYgh6CnJRD9WHLgRP43u9eFcoWz5yIW95QJ5nmLvYZwwyYqU/TFovb3bus7+eCLilgprOt0aWa1IgujmtV/V3PzywREZGvmEfiOTZPpbFqKbr7p7ZqJpvT8Zl7Nwq/YyQUwNevWwpNsXALTyh0hfBx70NUKnd3Rt3JtLDd1hRxqSZjuPx5Mnh8QURERKQs1bpeWw+cxJYDJ4WyVSsZ7FpTLjaCk4MZPPfqMaHsysXTS368fNHkpmiZ5zFV+wAQkY1KDZAiIiIiGh9XrZenG/kjMasfIH8WT/4pRzWPJaIxeAKXKjGgYNgGA2aoluSQjSZHQzasRUKB8icrciCcypRMuxUoRkRERE5h0APVo0xOx61rNiI7ZlVYKKDh7huXITxekCfZIgSbwy7IG8IxcdvQ3amHxDAMdPWIATOz22MF7u1ROfHKfQhUGzBT5dhApWf1OOGLiIioJjROuaEK1Vuoyn8+txub94sL3D568QLMm9LsUo38hRfLouqotWCoJyUFzMTcGPtS6zM1EJhQ3RNwH0FERETkHJcPvdas2ydsz2hpwAULJrtUm3rh3hjPU9uPIJMbbXSRYAAXxaeY71hgHCo5JM49aC43YEax/iS5ie+979TZ+DURERHVDmeVl6cX1iEy4x1xF7p/tWE0RETepmDHNiUHDoTdDxyIBN2vA/mX3OYbFQjZiHLRIzlADhRjwAwREZH/BDUGzFD9+cHvd5quevahi+Zj8cwWl2pUX0KQgkWqDbsgqsLR/iEMZsQ22em3gBldDnWq8ru+jGMFjQH3RERE3sOvb6qC4dMpXV3dKXzrsR1C2elTm/GBN853qUZ+IO9srEJIuUOiEik2r6o7KQXMNEVcqslYzv6NXpp6nbD94OS/Ku8JNGk+jCJBxURERERUW+msjvte3C+UXb9iFoIBtY7564FTF7F+dMshYfv1p0/GhIbS5w/0VRswY+pP+nNsi8wUG0qgmuDnm4iIiOzBlRXl6Ub+SGzk6KuWh948wiMictiAHDCjQOBAJMSwDaqdpClkw71DQ03LH/qwzZMTTOFKYXaLiIiI/CYMKWAmyKAH8rdXjvThO4+/LJSdPrUZf3PJApdq5BR1ZseE5P1OwP1xJXKDGqd2uroHhO1wUMO0iQ0u1aZG9Iy4XW2ok1NhdJzVR0RE5AjNdFzG72AqTb20FMMw8Pn7NmMgI/Zlv3HDUp6vrYZ8vM8rhJOt3G1PvSkxYKY95kLAjMsfqWdnfwD7D+7HHO0w/iv3JqQiHeU9gTxeaOSs70dEREQ24fE4qeHJ7UdMgY03rux0qTZ1xKVzcoOZHJ7aflQou2LxtAL3tq5jUg6YaajyPCbHJ+oW3/o6wDeZiIiIKsSVlOXpHf53pBf3AwCrkQ+esUs7gJUAvgGOahFRPVGgY2sKHFA+YMb9vxlVycV2bxiGraFK5om6lYlywqL/KLhwKpWxq+1btHsFf18iIqJ6FDQFPXAYlPwrpxv49JqNSOdGr3gb0IC7b1yGaMj9sQ1nudfPDmniJC8GW5Gb9vWkhO1ZrY3+uwpiTvrMlfNd3zYX6Nlla3U4UktERETkYz482Lt/40E8vUNc7PTu187GytPaXaqRX/FcIlVDrbbSnRSDXtuaXAiYkTn8eRqItOPDmU+c2r663Dk/mjRWqzNghoiIyFlqHV+RswwXO/dr1nUJ2+fOacPcyU0u1aaeuPOZf+blY0Kgb0ADLltYKGDGmhww0xQtc86Tqa/kw8EtsqTxu87/OLZIRERENuHKivLsHP7XAPCBRCLx7zV6nSfi8fgkAJ+u0fMT+Q67SFQtXTdMV+eKRdz5mhwb1BEJlh62YfCToD6FBnTSOR1ZXRwwriZgpmwF/ha8Ih45wRSuFHVz0S1P3BAREdVC2BQww6AH8q8fP7sLG/b2CmXvu3Aezp7d5k6F6hT3OwRAiRBtAOjqFgNmOttjLtWkhnRxYRuCZYzlWl0h/JUnSn+8rUN8arQZIiIivzF9XSt0jo7UVg9NpTeVxlfu3yKUTZ0Qxa1XnulSjfxEk7asjvfroJFRbbg85tCTSgvb7a4EzHi8Dx2Q5iVYjU8QERERka8c6RvEUwkx4HXVyk6XalNnXBrkeWTzIWH73DntmNQctb5zgTr2DYoBM81lr2nh2AORfzFAioiIiOzBFbzlOT7m/4/X+LUeG/6Xl4YhorphuDgZQg6XAewM26h8kI5hG/5mwL12LwdsABUknI+rsnbPNl8f3NzfA0AqLZ58iYXdDJghIiKiWgiZgh74fU/+tPtYEv/wWEIomzu5CX93+Rku1ag+aZrFfifIgJm6EGkWt1PHgcygO3UZY289BMzkpICZckKdrK4QLgfW1AwndBIRERF5jd+m6N/50HYc6xeDIr5yzWJMbGA/tmrywjC/NR5ylmKJV91Jcb/RGnNhn+HyPIOql3Bp0nkKXa+iNkREREQ0HlUOp3+94QByYy4G2hgO4qplM1ysEdVSJqfjie2HhbIrl0wv+3mSQ1LATEOV8/sVuUgKOY/vvA+Zxh/5LhMREVFl7FxFXA96R/6TSCR21/i1umv8/ERELpM6tgfWo+dLnQgGNEQ6zkLj7JXAzLOBmcuB1tNqPtKbsgjbsC9gpohxfrcowzZ8Tdv3AlJfnoaB2CxMOv01+TY/YzkwfSkQqe3Cn6RFm290qs2PIxoqVgcOgnle8iiSX5qBoUgr2hach8DM5cNt/ywg5ky2orzPj5Wd7k9ERESqCzLogeqArhv4zL0bMZgRFyLcdcMyNNRriKKLEyfMwVbsZ9SFqWciP8453PaMHHBkKzBrhZu1Qlf3gLDd2ebDgBldnFhZ1ne9VcAMERER+YzcN1BkVREpT/N5W/njq8fxf2u7hLLLF03DFYvLX+xEpbAYp1BllSNRmXpSYsBMeyziUk08LCDNATM4PkFERETkFDdOIxuGgdXrxD74m5dOR7OtFwOlglzof7+wqxu9KfGiFm8ad8zFuo5J6SKaZV9AlmMPdYtvPRERERGVij3T8jgZ+tI7/G+rg69JROSqdq0vP7+m65n8z4jGtnzwwIzl+cCZmWfbHjozYBkw4/7XZIQBM74XwxBiqZ3ASzuBl36eL9QCwOT4aHuvQejMgDT4DAAxBRYgss3Xh2ZtAM2ZAWDbr/M/I1pPy7f7GctrGjojB8w4Gq7E0XsiIiJHhE1BDwyYIf/52Qt78fxOccj6L84/DefNdSa4UQkKHV8zYKZORScAzdOA/kOjZQPuXz+gqyclbM9ur4OAmXI+c1d/G/jfd4hll36hqupUPDGZVxQjIiIiUp5fDtkGMzl87lebhLKmSBBfuWYxNIX6194m/h01Qy9wP6JSqPW57E6KATNtTW4EzEg7ZKf3XaarhJf7eGleAgNwiYiIiHxt474T2HG4XyhbtbLTpdrUI+f7VI9uOSRsL+towazWxrKfp29QPA/aHK12jrNPBreICKqNFxEREZF3cYZzeR4HcLkTL5RIJHbF43FHXouISHkDPcDO3+V/RjS0jgkhGP63bU7FkwdSGXEgTtOAhrD7QReRoPt1IPsMZHIoaZjY0IGj2/I/VqEzI+EbVYTOJIfEiSqRUAAhBdpbtKKAGQ6UqSyrG6V3Onr35H+21jZ0Rg4VizkZMENERESOCGoMeiB/2987gDsf2iaUzWptxK1XnulSjcgUMBNksFXd0NwfTxkrk9Nx8MSgUNbZXv7EReXlxKv/lfVdv+BSc9l5t5T88KrWr3HhLhERkSM0txegk3f5uKl876lXsPNYUii79cozMaPFh/0Ft5j2NVYLuHzcyKi2XEy7yuR00wLHdlcCZjxOHkNiCBURERFRzWhS38uNo+nV67qE7c72Rrymni4W4zaHxwN13TAFzFyxePr4DypQx+SQHDBT7twDjj1QnuGX5GwaZRp+5HtMREREleHKijIkEokTAJ5w8PUcey0i72OnyEtyuoFHNx/EVdU8yWCvraEzKSlsoDEcVOIqXZGKwjZIRdsPncT9T72KT1f6BDaHzshtvkmRgA22eX850jeIf3tgG75YzZPUIHQmlRZPvjQq0v6JiIjIPmFT0AOHQck/DMPA7fduQlLq133jhqVojrKtuyXMYCtSxMHeQeR0cby8s62ygGKl6VLATDmhTqEo8MVeYOgkkB0CmqZw0TkREZHP8Jud7GT4YD7KjsN9+LenXxXKlne24t2vPc2lGtUJLvCgapQUWOSM3lTGVNYWcyFgxvSZcvYb3/yOlPmecOyBiIiIqG4MZnL4zYsHhLIbV3QiEOAxoXOc/Vu/tK8Xh08OCWVFA2YK1FG+iGxTtMo5zhyfqBvcw9QDdcaLiIiIyNs4w5mIfMlg11hZx/qH8PH/3YDpO4/iqgJzDQbQgMb5rwMOvAgMdJf+5IVCZ2aclQ8gGCd0ZkBalBWrKmzAvk56eWEbbPequm/Dftx+7ya8TU8DBda6nGhbipZwDji6vfSrFFUROjOQEQM2YpHqDgvtan2RIANm/OLPu7vx4Z+ux4LkSaDA/r6ncTba2qcAhzYDuSHrO1mpMnTGHLBUafvnVQeJiIhUFZIDZhj0QD6yZt0+/H7HUaHs5nM6ceHpU1yqkUL0bPH71EgI0muXE3ZBZKOunpSw3RwNoTXmw/aYkz5zgTJ/R00DGlpsq44fFh0TERH5G8fuqTR+XPuv6/mg2kxu9Jg1FNBw5/VLEeTCNpuVsMDDj42MfK8nlTaVKTHWwM8TERERESnqsa2HcXJw9FyWpgE3rJzlYo2o1h7ZckjYnj+lCQumNlf0XP1D4nnQsi80VLCvxPOZRL7DACkiIiKqEFdWEBGRY9bv7cGHf7Ieh04O4oZxMiROaBPR+J5f5Tu7J7ryQTMHXwQObKgsdGbX0/mfESOhM/PeCJz7fqBhoilsoLGqgBn7lBcwQ6pJZ3V87cGt+K8/7skXjNOs9i54N5a+5YNAOgUc3pxv6wc25Nu+XaEzs1YAK/4CmP1aU7q5Km0+GlajHlQ5wzDwo2d3486HtiGrG5g/zsTUPW2vQ9v7vw/kMvl2PnZ/b2fozOLrgcXXAgByuoGhrPh5qi5UjIiIiFQUNAXMKDDZncgGR04O4qsPbBXKpk2M4rNvWehSjVzWNFXcPv6KO/UAEILUb+d+p365PH+nq1sMmOlsj0Hz44IrOVAq6NVTnpzwRUREVAsav2OJTvnZC3uxbk+PUHbLG+Zh4YyJLtWIiCri4oKh7qQYMDOhIYSwKxcPUuv7fV/PAJ5KHMGs1kbMbG0sf9Hn8VeAV58EWjqBibNMF44iIiIiosrJp8YMh4+n16zbJ2y/bv4kdLTxeM9RDp4fNQwDj24WA2auXDK9+AMt6mhAqz5gxuJZqT7xnfchP879ICIiIld4dbZlXYjH45cM/3dtIpE46WpliIiqYBgG/vuPe3DHg1uFq2IVpWlA6+z8z6K3jTyZFDoz/G/qeOnPOzZ0Zv964O0/RSotDsQ1Rez7ijyWTOM7j7+M95x/GtqbIkXvPwkn8dXQj/DvuasQcWVCBtnh4IkBfOSn67F+b295D4zEgM7z8j8jxobOjIRvVBo6s/EXwC2/w0BavEJzk80BG9/93at4c2g+LlgwqaRFTO8LPoS0EUY0cL2t9SBnJYeyuO2XG/HAxoPlPTAYBqYvzf/gPfkyu0Nn9P8Alt5o2t8D9gYsfeZXm/Cei87CWZ2tpT3gqTvzv+vpVwAB7vOJiIjsEpYDZjy76JzKIfc80rkS+0weYRgGPnffZuFKZwDwtWuXoqWxTsNMZiwTt3v3AEP9QLSyK4FVSoOGkCnYivuduqHYBJ6uHilgpq3RpZrUmJ4Rtx0MdaruHVervRAREdUNxY7ZSF1WLcXLF4E9fHIQdz28XSg7bVIMH7v0dJdq5HPSvkazPJ/P/RGVSKHvrh4pYKaUuU/OcPZvJL8lG/edwHt//OdT2xMbQpjZ2ngqcCb/03Bqe7phQJgRIF8wLTYJaOnIB860dA7/v2P0/01TOKeAiIiIyAMOnhjAMy8fFcpuXNnhUm3qmXP9hR2H+7H7uHiO9orFJQTMFKijHDDTVHbATIm/u0L9TrIH39J6IL/JHh68JiIiIldxhrPa1gBoAfABAP/ucl2IiCqSHMri9ns34TcvHbDnCQuGzuzLhw+UGzrz8mMAgFRaXARUTdhAOCh22rM5A99+fAe+97tXcMPKDvz16+di/pQxC53CYiJ5SNPxntDjeFfwCWi/ehp43ceBjpUV14ec99yrx/Cxn2/Asf508TuXws7QGT0D7HwKSeNqobiaNh/UzNeBXL+3Fz/9jz9h4YyJeP+Fc3H1spmIhMZMdJHa/ZmBLvxz5F/R/covgec/Aax4DxBpqrhO5LxXjvTjQz9Zh5eP9Jf8mHEn5NodOvPyY8DSGzEg7e8BIFZhqFhj2Py5eWzLIazZ0o/z5rTjfRfOxWULpyEQGPO9EJYW9u1fC/z87cDkOHDBx4Clq4BQtKL6EBER0agggx7q0oyWBmF7x+E+ZHM6Qj4Jb31g40H8duthoeya5TNx2aJpLtVIAc0Wv3vOpr54mUKQwiwZbEUu2ds9IGx3tvv0aog5KWAmWKdBW0RERGTJfOaKM+upPn3pN1vQJy1K+vp1S9FgcY6L7MAFHmQnqT2VegGiGuhJiX3wtphLATPVJn5NmAn0jZm/NvcNZT282L7z5GAWJw/1YfuhPsvbPx8+hPeN9xSp4/mfgy9Z3x6MABNnAR3nApd/GZg4s8SaExEREZGT7l2/Xzh0nRAN4crFM9yrUL1yMGnjkc2HhO2ZLQ1YOqulwL3HsKyjgZwu9n2ayw6YkZ+S4xNEviHvN/j5JiIiogpxhrPaWpE/09zqbjWI1GeeIEYqGC9sYMHUZqDXphfSNKC1M/8jh86MBBAUCp0ZXnQkB8zEqgjbmD+lGdhlLh/K6vjZn/bi5y/sxaVnTsP7L5yL8+a2Q5u5In+1mRNdwv0DmgFs/XX+57TX54MHFlzOq9EozDAMfP/3O3H3I9shje0iGgpg1YpZwMYCjy33xaoJncmlkcqKbb6pwoANAAgFA8gVGIffdvAk/u4XL+GuR7bjvRfMxTvOm42WxjCw6Fpgz7Om+7dnDgKP3AY8/Q3g3PcB530AaJ4yegcOginp4U0H8anVLyFpEd5y3dmzgC02vVA1oTMF9vdA5fv8aRMaCt72wu5uvLC7G3MnN+GvXz8XN6zoyAc5LboGeOZb5gccSwC//gjw5B3Aaz8ErPwroKGEE0xERERkwUBEkwNmuOi8HizvbBW2U+kc9nanMG9syKtHHe8fwhd/Ix5YT2qK4ItvXexSjVRh0RnNDjpfDQBhU7AV9zvkjq5u8ep4nW2NBe7pcboU6hRwboFswGKyp1WgrSX5sdkSQnOJiIiIyDGaxbGeV89OPrblEB6WFjjdsKIDFyyY7FKN6pDVuW1eSppKpclzg9zbG/WkxEDn9iaXAmZk5X6erv0e8D/XATDyYS1X3FnWwy+KT8E//nYH0tnKwn4ey67AewMPIahV+F7m0kDPrvxP8ijwF/dV9jxERER1gkfe9c20/t6h1zUMA6vXiusBrj5rRlUXAaVKWY3x1GbP8OgWcfzlTYunW44xlcJqKKG5ocw5/hx7oGFcdlEP+CYTERFRZRgw4w2T3K4AkdfUavCHSvfgxoO4dY112MCHL5qPW6aeAH5TwwqMDZ1Z+NZ8mWEAu58B/uutprsPpMUFCY3hyr8ip06Ijnu7YQCPbzuMx7cdxrKOFrzvwnm46r2PoveBL2Diy78yL4QEgD1/yP9MWQi87qPA0lUc8VFM32AGn169EY9Ig8QA0NneiHvevRKLDx0tGDBji0KhMz+7Kd/2RxgGUnKbr/LkRSCgAePMoTl8cgjfeHg7/uWJl3HTuZ34fxe8G53RZhx98A5Myew3P2CgB/j9N4Hn/gU46x35dj9pvvWTcyDcNdmcjrsfTeAHv99pum1iQwjfvnk5Lm3YYV/AjJVCoTOPfR740z2j9xveZ8oBM5qWD4CqlV3Hkvj8fZvxrccSeM9rT8N7XvtpTGmeBjz7HeCkRdvvOwj89gvA7/8BOOe9wGs+BEzk1SuIiIjKEbQ6MA1wGLQeTGqOIqBBCPxM59y7sq+dvnT/VnQnxYUcX7lmiTqLOdwSawdCjUB2YLTsyDZXrt4bkgNmggyYqV/ujtnt6xEDZmZPirlUkxrLiVdPdzLUKRYJor0pIuyXN+0/UVqgWUuHuH38FSCbBkJ1vj8nIiKymenMEc8lUZ3pG8zgC78WT9C1N0XwubcsdKlGdcK0q7HqH3J/RCWSA2bkCws5SB6XbIu51Yetcsxl/sXAex8G9r0AzLsYmL6krIefOX0ifvnB1+HXL+5HV08KB3oHcaB3AMelv08hLxgLcXP67/GW4J/QoR3DG6cNIZLcn58fU659a8t/DBERUZ3j2gJywto9Pdh9XDxXd+PKTpdqU+ccGg/s6k5h68GTQtmVS6bb+hrN0WrnPHHNSb3Q+F1XB/geExERkT24skJR8Xj8+jGbrW7Vg4ioXJmcjm88vB3/8YddptsmNITwjzctx+WLpgEvbnC+cpoGNE2xvEkOHIjZmBQ+o6UB4R4NmZx5cG7jvhP42M834K7WRiyc8UFsHnoj3ht6BO8MPokJ2oD5yY5uA379YeDJOzCzbZlwE4f+3LPjcB8++D/rsPNY0nTbJWdOxbdvWo6WWBgwZ8/UXiQGRCdIhYapzTdFqjsslIeqZrU2YpvFHJhkOocfP7sb//Xcbrx5yZnYFPwOFiX/gA+G7sfywKvmB2QHgXU/Btb9J7DwagTP/kBV9ST7HOkbxEd/tgF/2tVtum3hjIn4/rtX5hex7doxzrPUaM8VDAMNrZavNZARw5WaIqGKrxRgZeqEKE72mct7Uhn885Ov4J7f78R1y8/H+95+I04/8lg+aOboNvMDhk7mb/vj94CzbgZe9zFgSty2ehIREfmZKeQBAIIcBiXvenTLIdz/0gGh7MrF03HVUnsnJXlSIAhMWwzsH7Og4tgOYMGljlclJAcGM9iqjqgzgSeVzuJYv7ioqbPNpwEzuti/dzLUSdM0LO9sxZPbj5wqSxyyGAywMl0c00UuDfTuASafbmMNiYiIiKhSVkf3hgcv/PKtx3bg0MlBoezvr17IoNqaE1uQ5sG2QwpRKGCmxxQwo0qwcgVjMqedn/+p0NKOFiztaBHKBjM5HOgdyAfOnBgY/v/AqQCa/b0DGMrm37+1xplYmz0TAPDU2y/C3MlNwFB//uI0J7qAE/ukny7gxH5Al4J2c6WF2hARERGRs9as3Sdsz5vShBWzW92pTN1z5hzuo9KFadubIjh3TntpDy5h7nIwoFVwEU11zl8Tkc3k/QbHH4mIiKhCnOFchng8fokDL9MK4HIAt2B0xW2JvUsiIncdPjmIv/nZevx5tzlVYuGMibjn3Stw2qQmF2pWnK0BM1InfcmsFjzz/kvwX3/cjZ8+vwcnB7Omh+wfnlAATMKd2XfhX7PX4QNNT+NvYo8DfQfNr9F3AO19B8zl5Lhfv7gfn/nlJgxkxDakacDfXXYGPnLxAgQCpQzU1nJwx/z6qSGxvo3VhipJ7f4H71mJx3um4t+f2YUXdpsDSHQDeHBTvm3vxXl4JH0uztO2464Zv8Pc7mesXgDYdj+at91fXT3JFmt3d+PDP12PI31DpttuWNGBr123BA1h+4K6KlLgxIu8v6+u7Zs/tw99/I14YEcSP3xmF7ZJVyUAgHRWx/+t7cIv1nXhK9e8Du/58NuBl3+bD5PZ8wfzS+gZYMNPgA0/Ba7+R+Cc/1dFfYmIiOqDZcBMQJUJ70TlOZHK4PP3bRbKWhrD+OeSx/wAAO9YSURBVMq1i20NSvS0BnFBhyl0wiGmfQ8DZsgFXd3mwOqOegmYcfi7Xr5ae1YvcWyvsdVc5tJ+i4iIyM8CmvzdzP4T1Y8Ne3vwX3/cLZRdePpkXLt8ljsVIhHHc6hUCgXMdKekgBm3wqoUXTTVEA5i3pRmzJvSbHm7YRg4nkzjnDseF8pz+vB7Gm3OX2ym0AVndD0/l+C/3jqmjGMJREREROPRpLEgJw4lU+ksHtgozu1ftbKT5/Xd4tDf/ZHNYsDM5QunIVjSugGglDHL5qi9F9Gk+qJmL5rsxXeZiIiIKsMZzuV5HM4deY30AA3kQ2eIiJT2/M7j+JufbcCxfuuwgTuuXVLyIv7a7mgtBtgMAwO2Bg6YTW9pwG1Xnom/uXgBfrG2Cz96dpflgo8RfYjhF9Eb8Dcf/xawaTXw3L8AR7fbWieqTjqr4+sPbcN/PrfbdFtrLIzvvP1svPGMKWU8o4ODvwaQkgJxmqL2tvlAQMObFk/HmxZPx4tdvfjhMzvx8KaDKLzWRsMLxkL8dvl1uOXMTL7Nb/w/81WYyFWGYeDHz+7G1x/aZlo4FQkG8MW3LcI7z5td8skMw9F2n69vcsjGQDELkaCG61d04LqzZ+G5V4/jB7/fiad3HLWszjcf2Y53nNuJ0BlvAs54E7BvHfDcd4Ctv4H529AAnvgKsOIvgYDL4T1ERESKC1oGzHAYlLzpjge34qgU7PiFqxdh6oQGl2pEhZgCZoIMtiLndXWnhO3JzVHbxzmVkZPGjIL8riciIiKi6lmd4lI0z8BSJqfj9ns3CXVuCAfwtWuXcjGSE6S/sWZYjFMSlUoOmNHda089STFgpt2tgBn5HLpH9muapmFycxQBDcKcmZLDagMBoEmaf2Tk8l9QHvkbEBEREdWDhzcdQnLMeoSABly/gmGvfnakbxDr9ooXZr5iybTSn6CE4/nmqA3nQL00uEVVYRexHkhvMj/fREREVCHOtizPTgDzHHotA/mjPg1Au0OvSeRZ7Ae7xzAM/OD3O3H3ownkLMIGvnzNYrz9XIv0bcVGL5Jp8couTRE7vyJHf9emaAjvvWAu/uL8OXh0yyH88Jmd2LC31/JRkVAACEWBs98NnPVO4JXfAs9+B9jzrI11o0ocOjGIj/xsPdbt6THdtqyjBd971wq1rg5t+rwZGJDafMzWNg+MbffLO1vx3XeuQFd3Cj9+djf+7897hZMoY0VDQWDqfODa7wKXfA740z3A2h8DQydtrh+VKzmUxWfu3YT7Xzpgum1mSwP+7d0rcVZnq/mBru3vze0eAAYyYttvDNdmoZ2mabhgwWRcsGAydhzuw78/sxP3bTiAdG70ynInB7NIpnNoaRyeHNixErjpv4HjrwJ//Fdgw0+B3JjFxAM9QCYFRCfUpM5ERER+EbYKmGHQA3nQ0zuOYvW6fULZRfEpnISmKNO+J8D9Tt1ycQJPV48YMDO7vdGlmjhADiXmZ46IiIjGo9i5aaJa+eEzO7H9UJ9Q9onLzsDsSQqdu/YzORDE8vJK3B9RiRT67upJiX3wtphbATPeFgoEhPkC2VwZY0hWIfp6joG7RERERApZva5L2H7DGVMwbSIvHOOe2vepfrv1sHBquDkawuvmTy7jGWoUMKNQf5KIbMbPNxEREdlEPqtJ4+tF/syvEz8Y829rLX8pIj9iBqczTg5m8IH/WYc7H95uCpeZ1dqINR86H+84b7YnroQ1IIVd1PrKvsGAhquWzsCvPnwBPvjG+Zb3iQTHfE0HAsAZVwDvfQi48JM1rRuN74+vHsfV//KMZbjMO87rxC8+cH5F4TJOrz1KDkltvkYhG2N1tsfwhbcuwnO3X4pAgd1CJDSm3U+cCVz+FeBvt1hMxiMnvXq0H9d+91nLcJkLT5+MBz52oXW4jIJS0v4+5sCV3M+YNgF333gWHvjY6803Wn32J80Hrv42cMvvLO7PoxwiIqJiQlYBM1aTr4kU1jeYwe2/3CiUNUdD+Pp1vOJ4UW4cM2tACGKYJRd31BGFPpNd3QPCdme7jxeR5uSAGQ9/5tjXJyIishe/W6kKmofDP3YfS+I7j78slC2cMRF//fq5LtWoDsnntA3ri64QVca977eeZFrYbm9yKWDG9B3vrX12UJooI8+1G1fAYl6DnjWXEREREREA50/f7T2ewvM7u4WyVSs7na0EiRxoBI9uOSxsXxSfggab5+M3Re14Po6X1iuDY+U+ZH0BXiIiIqJyeXi2pSu6kT8Ss+NMVTmXKGmv4PmJiGpq28GT+NBP1mH38ZTptoviU/BPNy9Hq4pXrLEaLDQMVwIHRrQ0Wl9dVwjaGCs6sYa1oUIMw8APn9mJux5JmCZ5REIB3HHtEtx0TrGTAYpMbjEMpDJim7dnALo0LY1hBDQNusWgpRCsNKJhIpT529WhRzYfxKdWb0T/kHly0kcvWYBPXHaGaSKUEuT9/XB7kwPFYhHnukRW+3tjvIHdBu7viYiIKsGAGfKDux7ZjgMnBoWyz161EDNbG12qkcIUCfcIQhcLuN8hF+ztFsdqOysIQfYMXfq+Z6gTERERjUuNfgNRrRiGgc/dtwlD2dG+qaYB37h+KcJW51+pNqSAGc1qEY8i4xjkBWq0lXRWR580V6C9yXqek+M89nmS51VkywqYsRj3YMAMERERkTLWrN8nbLfGwrhs0VSXakN5te0vnBjI4LlXjgllVy6ZXt6TlNCnaYpWcg7UW30lIqoCQ4SIiIioQpxtWZ7eMf8f6XHtlMpL1Yp8cEzrmDJj+LlWV/B8RESOuXf9Pnz2V5swmBEXzmga8IlLz8BHL1mAgIphA+OQwzacDJgpNDZYMGCmwAMMDgbWTN9gBreu2YiHNx8y3dbR1oh73r0SS2a1uFCzElm0mZQ0AajRwZCN8UTD47T7guNfbPu1kM3p+OajCXz/9ztNt01oCOHbNy3HZYumuVCzUlm3CzcDxcpvqVaP4EAwERFRMSHNImAmqMiEd6IS/PHV4/jJ83uFstfNn4R3nMcrnKksDGlBR4D7HXLevh4pYKbdx6FUekbcdvgzJ4/dHu0bcvT1iYiIaDwcR6f6c+/6/Xj2leNC2V+9bg7O6mx1p0L1SgqYgWExTklUKZe+3npTaVOZexcc8/Z3vBwwI1/calwMmCEiIiJSlq4b+OU6MWDmmrNmIhpybm4qWahxIOVT248IoZGRUAAXxcsNFSpexwkNNszvZwAFkX94LGyXiIiI1KXGSmLv6B7z/3UALkskEieqecJ4PN4C4BwAHwRwA/KBM3MBrEokEiereW4iIrsNZXP4yv1b8dM/7TXd1hoL4ztvPxtvPGNKic/mVsfW+nUH0uqFbUQLBcyQo3Yc7sMHf7IOO48mTbddHJ+Cb9+83JbJM84O3RqmkI0mB0M2gHGClXgFPSUc7RvCR3++Hs/v7Dbddub0Cbjn3SsxZ3KTCzWrnpsBM1bKPm/DEz1ERERFhWCxcMNq8jWRggbSOXzm3o1CWWM4iG9cvwwaJwkozRRuxWCrOuZOv80wDHR1ywEzMVfq4oicFDDj8Gdu0YwJwvaLXb2Ovj4RERGVif0pKpFVU1H91Mzx/iHc8eBWoWxmSwM++aa4SzWqY1LAjGboVndypi7kfYp8d3VbBcw0qjLupcbfqFQh2wNmGGJFREREVIjlpf0Moybn3J/feRz7eweEshtX8uIx7qttf+ER6aK1Fy6YjOZomXOTSmiPTZWsaVGkP0lEtSB/vhUfvCYiIiJlcWVFeXrH/P/91YbLAMDwczwB4Il4PN4K4IfIB83sjMfjKxOJxJ5qX4OoPrBTVGv7ewfw4Z+sw0v7zLu+szpa8N13rUBHm1cXLJjDNmLhagIHymuPhYbwCgdtcNDPKfe/dAC3/XKjqX1oGvCJS8/ARy9ZgEDAC++HVEfDQMoUqlRtyIY9++Fowc+eF/7O/rBuTzc+/NP1OHzSfOXt61fMwteuXWpDe3GAafw030bNbb+KLpHVjOLxTsxYTUoe7/l5koeIiKgi5oAZDQh44PiFCMC3Hktgz3ExIOLTV8Qxe5JXx1zc4M44YVje9zDYqo6o0XfrSWWQlMawOj07XlsC+SrdDn/mFs2cKGwfPDFQ4J4WwjEgM2Zf33cQmLbIppoRERGRdRqIGsdsRLXwtQe3oSclBjB+5Zol5S9qIhuI+xrLgBme/yOP6UmK+5eWxjBCbl04SPXEryLk+UXVB8xkzWVERERE5LjV6/YJ22dOn4AlsyYWuDc5pobd74F0Dk/vOCqUXbFkegXPVELAjC3jO8N9D4/3qag4XriqDsjvMT/XREREVCGXzvR41qsj/0kkEi/a/eSJRKI3kUisAvBBAO0AfhuPxzmyQFQBgxPEbPX0jqO4+p+fsQyXefdrZ+MXHzzf5nAZ59+/ATlgxsHwhELjOJEQv6bdksnp+PL9W/DRn28whcu0xsL48V+di49fdrq94TK1HNCzeG7596oo4bwKWoHPeeFgJao1wzDwn8/uws3ff94ULhMOarjj2iX41qqzbA2XcWNI0xQo5uT+3pbvNw4EExERFWMKmAmqcjVVcoOXzqOv39uD/3h2l1C28rQ2/OXr5rhTISqLad/DgBly2N5uMZwqGNAwo6XBpdo4wOWAmXA1Y1hTpTCZQ5uqqwwRERER1ZSh8LmZZ14+ins37BfK3rJ0Bi5bNM2lGtU5LuIhW6lxReqeVFrYbm+KuFIPSx77zJnf0XICZizmNTBghoiIqAh1+3LkjlrMHTg5mMHDmw8KZTeu7GDIgxJq9x78/uWjGMiMzg8IaMBlC+0Zi5HXQU1oqOQcaKm/O9spkffxeIeIiIgqwxnO5el24kUSicQP4vF4K4BvDP982InXJSKS6bqBf3nyFfzTEztMg6oN4QC+ft1SXL+iw53KVarAgG0yLZ50j9l5Na8KB4kLBsxw0LmmDp8cxEd+uh5r9/SYbls6qwXfe9cKdLbX4OrPDo7t6IaOoax4tTTbQzbY7j0llc7iM7/chN+8dMB024yWBnzvXStw9uy2Cp/drffOesKdaoFixrhnLS0fYFt9iIiI/IohD+RFg5kcbl2zUTjci4QCuOuGZQjaGW7qS2r8fYIMtyKXdUkBMzNbG9y7orgTcuIV1D31mZu0ANi/dnQ7ebTwfYmIiKgCFuPoPM9EPjSQzuFzv9oslE1oCOGLb11U4BHkPJ7XI+/rTooBM20xN/vf3v5MVXU4olmM8Rg5cxkRERERAXBuKOjBjQcxmBmdjx0KaLju7FnOvDiNz6IR2NWjeHTLIWH7NXMnVRbGWUJDbbJjTQvnHdctvvV+xHMdREREZA+urijPTgC74EDQTCKRuDsej98M4APxePzuRCKxu9avSUQ0Vk8yjb/9xYv4XcI8uX3OpBjuec9KnDl9ogs1s5+u68LgLuBw4ECBTn6kzAUgcmI1le/5ncfxNz/bgGP9Q6bb3n5uJ770tsVoCFfRNlybvCq+biZrnmTS6GCbH0+0UMAM23fN7Dzajw/+ZB12HO433fb6BZPxnbcvx6TmqAs1s9nwKHlKChRzu+2PO3bPCe9EREQVMQfMeGjBOdWtf3nyZbxyRDwm/9vLzsCCqc0u1YjKoQEIc99DI1yapdXVIwbMzK5FQLJKdClgxkuBclZXHSciIiIbcdY8Vc76YgHO16MU33niZeyVgiZvf/NCTJ3Y4FKNyHRO29Ct70ZUCnmH5NLOqMcUMFPBosma8fb59PLeUg99QRERERHVkTXr9gnbl5w51R/zbamgTE7H41sPC2VXLJ5W4bPVKGCGc4/rFt/5OqDIeBERERF5n4dmW7ovkUhsADDfwZf8PoB7ANwA4FsOvi4R1bmN+3rxoZ+sx/7eAdNtVyyehm+uOgsTG6pcJKNI0AYADGQswjaqCREpU6E/RYRBG44xDAP//swufOOR7cjp4iBLJBTAV69ZjJvPne1S7WwgNbJszjyQ1BRx+LCwQDMuHDBDtfDI5kP41OqX0D+UNd32kYvn4+8ujyMY8Og+p8DONZUW9/kxJ/f3jr0SERFRfQtBWrjBRdykuM37T+Cep3cKZUtnteD9F851qUZUCVO4VZCnX+qGIp29rm5xLLezze8BM3KoEz9zRERENB5FDtqIbLL1wEn88BlxLOHcOW14+7mdLtWILFkt8OAiL/KY7pQUMNPkYsCMxxdNyRcgKy9fxmrf4e2/BxEREVFtmY+f7D56evVoP9bt6RHKVp3Dfrk6atP//tPObpwcFOdcv2nx9MqerIQxggmVBMyYsO9A5B8cWyQiIiJ7cLal2v4P+YCZt4MBM0Tj0jjoYQvDMPDzF7rwpd9sQTonLsgLBjTcdmUc779wHjSfTXhJWQQrxCLuL0AsGDDjs7+/2/qHsrh1zUt4aNMh020dbY34t3etxNKOlprXw3BwPyZ/vgGgUYE2D7DdOyWb0/EPj+3APU+/arptQkMI/3jTcly+qNJE/dLVttXLbSb/anKoWMyWky+lsfr+HH8OHNs9ERFRJUKa1McLVhmQSlRDmZyOT6/ZKISdhgIa7r5xGUJBBnBWxJWFJgbCmhx2wX0POaurOyVsd7b7PGAmlxG3+X1PREREwzSPLz4nd8mL/wH1luDkdAO33yuOJYSDGu68fikCXr1whF9I5wI5l4ns5U576kmKATPtbgbMyDw2j8R8kfFy3lOL35XHPERERESuWrNun7A9uTmCi+JTXKoNmdSov/DIloPC9lkdLZjZ2ljhsxWvY1NFc5y91Vei2nFyfQq5hGMDREREVCEGzCgskUiciMfjvQDmuV0XIq8xOChStoF0Dn//682mwU4AmNwcxb++82y8dt4kF2pWewPpnKksFnH/K7Jg0AbZ5pUjffjA/6zDq0eTptveeMYUfOfty9EaU2hyTMXEfWLWIkAq6nB7K7SXjoYKBd2Mt1/nPr8cx/qH8NGfbcAfdx433Xbm9Am4590rMWdykws1c0ZSChVzO1Bs3MF7qxNcHAgmIiIqKgyGPJB33PO7V7Ht4Emh7CMXL8DCGRNdqpEHKbCQJCTvdwAg4P7YEtWXrh4xYKajrdKJjB6hSwEz/L4nIiKi8SjQbyCyy3//cTde2ndCKPvwRQuwYOoEl2pE5eH+iLylJyX2v9tcnUNTx+fKLY9l6vjvQUREROSynG7g3vXimotrl89CmBeRUYj9/W9dN/DYlsNC2RVLptv+OmM1RSuY42xOt7SnMqQ8DoPXAb7JREREZBPOcPaGVrcrQET+tvtYEh/66XrTgiYAOHdOG/71nSswbWKDCzWrAYsOdSqTNd2lIezcAK9WoJMfLTjIzEEBOzyw8QBuXbMRKSlgSNOAj11yOj5+6em+vcJbJif+zrFwsGA7dBqDlWpr3Z4efOSn63Ho5KDptuvOnoWvX7cUjS4HrtimwAkSOVSsuoAZq5MuhT9L9nzKeKKHiIiomKApYMYnxzfkOzsO9+Gfn3xZKItPm4CPXLzApRpRpYLQLQp5+qV+Od9vy+kGDvQOCGWz22OO18NROXFM11uhTmqMwxEREfkXx9GpctbZ/+q0qf29A/jmowmhbN6UJnz44vku1YiIakaRBYE9qbSw3d7kYsCr6W/grf61XNvy3lFenIaIiIioHIX79/YcQ/7+5aM4fHJIKFt1Tqctz002qcG8+A1dvTjSJ77vVyyuImCmhDpOiFbQB5PnSekWF8yhusBuYz3gm0xERESV8dJsy3rVCqDH7UoQkX89tuUQPrn6JfQNZk23ve/1c3Hbm8+sUZp24QExw+EJAANp8XdvrDZsw6Y+OoM2aiOT03HnQ9vxo2d3mW5raQzjn96+HBfHp9bo1cdrVzVs91J7zuTEhW+xStLNZWWOQBb6iEULtXtFAnC8yjAM/Pcf9+COB7cikxPfq3BQwxeuXoR3v/Y0F4KGnHy9/O+dyognShrDznWJyr+oGNs9ERFRJUJywEzQxQnvRAVkczo+vfol4fg8oAHfXLWM4wEeFIJ5XA0B7nvqh/t9t0MnB039/U6/B8zo0ueOoU5ERERE5HOGYeAL9202XUDlzuuWIhpiwLKSrM6h87w3eUx3UgyYaYtFXKqJ95nmY5QzzYb7DiIiIiKlrFm7T9he1tGC+PQJLtWGrNl/DP3olkPC9ulTmzF/SnMVz1i8jk2VzPGXL8whn1cl32LPsQ4oEkhMRERE3sfZlgqLx+Mtw//tdrUiRORL2ZyOb/12B/7td6+abmuKBPHNVWfhqqUzXKiZ81JD4gSsWMTZr8dCAzkFF5QVmDTAoYHijpwcxEd+th5/3m3OblsyayL+7V0rfbr4RgqYyUoBMzVp85UNUXIhpf1S6Sw+e+8m3PfiAdNtM1oa8N13rcCK2W0u1KzWrNugPOk2FnF3wm3Z+24OBBMRERUVgni8a5o4QaSAHz27Cy/tOyGU3fKG+VjW0epOhXzF+WPmsBxsBXDfQ47aezwlbDeGg5jU5PMFX3pG3GaoExEREY3gODpVoexrBTjo4c2H8MT2I0LZO87rxGvmTXKpRlScKq2HvEneI7nTnnrkgBmVxhs8HrpilJcwY/EE3McQERERuaE3lcZvtx4Wylat7HCpNlSQzf0FwzBMATNXLJ5e3ZOWUMfmhgrmHTBghqiOcGyAiIiIKsMZzmq7afjfXjcrQeQFGjtFZTnWP4SP/XwDnnv1uOm206c24573rKwyTdlbUhlx0MzpsIFCY4ORYKGgDW9PkHDLC7u68ZGfrcfRviHTbTef04kvX7MYDeH6uLJbNicHzDj/e2sW7VjTgFCgUPtmu6/ErmNJfPB/1iFxuM902+vmT8K/vONsTGqO1rYSbk3qskjozukG0qaAJefav1W7H/8BKk9jJiIiUlcI0sQILjgnxew6lsS3HtshlM2b0oRPXHa6SzXyOvf7i0GrgJkg9z3knK4eMWCms73RfFVsv8lJATNe+sz5/K0hIiJSkt+Pjcj3Tgxk8MXfbBHKJjdH8ZkrF7pUI7Jk2tdYndfj/oi8YyibQ1K6gEtbTKGAmXr6PHHuABEREVFZann09JuXDiA9Zh52JBjA286aZdOzk33s7S9sP9SHPdJFP65cUmXATAmao3YEzFjMZ6C6wFxSP6qjsRAiIiKqKQbMKCoej7cAuAv5cYy1LleHyHPYDy5s3Z5ufPin63H4pDlk421nzcSd1y9FUyUDUR42KE2GcCNsw0okpEY9vM4wDPzHH3bhzoe3I6eLe4dIKICvvG0x3n7ebJdq5xBpokk2p2abj4YChRc/ceJv2R7dcgif+sVL6BsyJ89/6KL5+OTlZyBUMMjKjwyk0ua/RczJ77yyLyrGdk9ERFSJsCZNjAjWVx+33gU0DfqYg6yBjFoTZXTdwG1rNmJoTPChpgF337CsbkJP/ci03wHMk7bIvzSpb50ZcLwK+7rFyYyz22OO18Fx8pX2XP7M6TrQnUyjvZIruQ/15Sd2Bvg9QEREVDscb6fSqBrUeNcj200XUvnS2xahJeahoMU6pFmdCFS0jZGCLC6o4rTeVMZUVlG/1y4eXxlX3Vta9mQDIiIiIqqR1Wv3CduXL57G/rmKbO5/P7rlkLA9q7URi2dOtPU1ZAENaKxkHol8zlE+r0q+perYJtlIgfEiIiIi8gfOcFZMPB6fCOAmALcBaEU+J2O1m3UiIn8wDAP/+dxufO3BbchKIRvhoIbPv2UR/uL805wbVHBr8MLidVNSwEyjw2Ebhf4SkVCB4AcO/JSsfyiL29ZsxIObDppum9XaiHvevRJLO1pcqJnTxDaTyYn7gMaIGoeEkboKO6mdbE7HPzy2A/c8/arptgnREL5101l40+Lap+a7r/j+HgBiDi7itdp9G+XG4nEgmIiIqKggdLGAIQ91pbM9hl3Hkqe2t+w/gRWz21yskegnf9qDF3Z3C2V/ef4cnDOn3aUakR1CYMBMXWvtBHp2jW4f2eZ4Fbp6xFCbjjYGzDgtndOx4qu/xfSJDVg0cyIWzpiARTNasHDGBMyZ1IRAYJwx3fX/BWxaA0xfCsxcDsxYnv938hkMnSEiIqoIx9HJXm6fmvnz7m787E97hbJLzpyKtyyd4VKNqDB5gYdufTcij+hOpoVtTQNaGhVaOOux6VNcA0ZERETkfdsPncSm/SeEslUrO1yqDTnpkc1iwMwVi6dXv+6myOOboqHKXkM+b8qAGSIfkfcJHFwgIiKiynCGcxni8fifa/TUrcP/to/5/6kjvkQi8WSNXpeI6kRyKIvbfrkRD2w0h2xMn9iA775rBVaeps5iK6elpKuZx5wOmCkw8FcwYIZK8sqRPnzgf9bh1aNJ021vOGMKvnPzcrS5eWUlF2VzYptvcrjNA9Zj4pHQePUYZ4CcoUunHOsfwsd+vgHPvXrcdNuZ0yfg3969EnMnN7lQMwUYhmXAjNOhYmVh2yYiIqpIGPKCc4UmvFPNLe9sFQJmEof7XKyNqKs7hW88vF0o62xvxK1Xxl2qkU/I4QvplONVMAVbAUCQ+566MX0ZsOv3o9vHX3a8Cnu7xXbf2V4HATM56SrqDn/mQgHrsdtDJwdx6OQgntx+5FRZLBJEfPoEnN3Zhr++cC5mBS3GJDNJoOv5/M+IcCwfOjPnQuD8jwAxhpERERFVjOPtVCLVWspQNofb790klMUiQXzlmsW8IrFn8X2jUrm/YKhHCphpbQwjOF6Aas3V8aIpy31+Hf89iIiISqDxu7KuWfWZ7Qj4W712n7A9fWIDLjx9SvVPTDVgX99lz/Ekth8S555csXiaDc88fh2boxUu+WTADA0r+yKo5D1MryUiIqIKMWCmPPMBtMC5M70GgM849FpE5FOvHOnDB3+yHq8c6TfddsGCSfjnt5+NSc1RF2qmjoG0OGjWGFbj6zESLBQwwwlHxTy48SBuXfMSkhZhEh+79HR8/NLT3Zn04tYkP+l1Mzlx4ZsqARvR8UKVOEGyqPV7e/Dhn6zHoZODptuuXT4TX79+KWIRNfZvjjC1GQMpaX8f0Iq0u2KsBmXHaauWU77KHtflQDAREVExpqAHOXyCfE2+gm5OV+P4yTAM3H7vJlPo4TeuX1Zfx+m10DZH3D68xfEqhGAefzBN2iL/ik4Ut12YoNclB8y0NTpeB8fJf2eHP3MLpjZjZksDDpwwj8PIUukcNuztxYa9vXh0yyE8dfXFiKz9UfEXyaSArj/lf3b9HvjrxzhGRkREVApOqCbbudem7vndTtNcj0++KY6OtjoIlfQi6XidC1rJ67pTYsBMW0y1izh5q4+sSfUtbw9h8bvymIeIiKgshseOHUg9mZyO+zbsF8quXzHL5RBGKsjGc2qPbjkkbE9qiuCcOTZcGKJIHZtsC5gZmc/APoTf8VRyHeCbTERERDbhDOfydCMfMGPA3rNTVr00DcD6RCLxTRtfh8i32EWy9sDGA7h1zUbT4iUA+JuLF+BvLz+Dg5oABqS/T6zqsI0ypwAUeAvKDz3ge5nJ6bjr4e349z/sMt02sSGE77z9bFx85lQXauY2sW1kpYCZJlsWM1Y99aW6oI86ZhgGfvL8Hnzlga3I5MT3IRzU8PdXL8J7XntaHV7F0Pz7mvf3IUf/LpZXxSj3SThJjIiIqKgQpAXnwbD1HYkc9Iu1XfjDK8eEsnecNxsXLJjsUo18ZNoScbv7VcerIAfMGNCgMdyKHDKYyeFI35BQNntSHSw2zWXE7YCz3/eRUAA/v+W1+NEfduHFrl5sP9SHoaxe9HH7ewfwTPA1uHTVfwIbVwMHXwRO7i/2MGDfC8CxHcCUeNV1JyIiqk/1do6EKqXS6bRXjvTju0+9IpQt62jBX71ujjsVInuo1MhIbXJbceE8cU9SCphpcjlgxuPnys1vaRm/j+W+w9t/DyIiIiKveWr7ERyXjpFvXNnhUm2oOKtj6Mr65I9uOSxsX75omk1rcMafU9xsW8BMgQukcIyCyIPMF+AlIiIiqgQDZsrTi/yRmIHaHYGNHOmtTiQSN9foNYjqQH0PdqSzOu58eBt+/Oxu020TGkL49k3Lcdmiac5XrEROd3HlAJ6mqM0LgIoMvhW6NVIobIODeZaO9A3ib366AS/s7jbdtmjGRNzz7pVKL64xHHxf5YCZ6kOVLFTw+xRs8/knrLwuPjaQzuGzv9qEX20wL0SaPrEB333XCqw8rc2FmpXKwffVMEz7+8ZatH07cX9PRERUkbAU9OD0gnMi2aETg7jjwW1C2fSJDbj9qjNdqpHPRJrEbaN4wIPdTAEzgRB7seSYfT0DprLONnXHwGwjT4QMOn/K87RJTfjyNfmQq2xOx65jSWw9eBJbD57EtoN92HrgJI71D5ke92JXLy5903XA4uvyBf1HgIMvAQdezAfOHHgROLnP/IIHX2LADBERUQk0Tqgmm7mRZ6DrBj577yakx5zXDQY0fP26pbyIkJd4PAyDqDsphru2xVwOmJF5/Hx6WXsIq9+V+xgiIiKigqzj+ao7flq9Tjx3c85pbZg3pbmq56Qasqm/cOTkINbt6RHKrlgy3ZbnLqbygBlpbnShgBnyPXYbfUiBQGIiIiLyBwbMlGcngBVjtu0+Q7UTwHoAdyYSiQ02PzcR1YlDJwbxkZ+tNw1kAd4I2XDDQFqcENEYVuPrcfywDRrrz7u78eGfrsfRPvOCjVUrO/DVa5egIax4kEQtSQNJGV0OmHG+zWsWA/dRtvmy7D6WxAd/sg7bD/WZbjt/3iT8yzvPxuTmqAs1U4RFGzMFijkcMGN50rLsgV0OBBMRERUThBQuIV+Zh8hBhmHgc7/ahL5BccLO169fgokNDD/yi6BFwAzVMYcn8HR1p4Tt9qYImiqdbOgVhgHo4piu24FyoWAAp0+bgNOnTcA1y2edKj/SN4h3/fBPePlI/6myvdJ7huapwOmX539G9B8F/mGBeL/ePbWoOhERUX3w+AJ0co7VOUw3/GJtl+nCKu97/VwsmdXiUo2oNKVcQViNNkZe4P4VqXtSaWG7vcnt8Uxvnyu3/9Pv7b8HERERkZcc6x/CU9uPCGU3ruxwqTZUGnuOwB/beljYbo6G8Lr5k2x57mJjlhVfNFmer8CAmbrBUad6xLEBIiIiqozPZ5jabuTM/cgx9w8A/BZA75jbytULoDuRSJyoqmZERACee/UYPvbzDTjWnzbddtM5HfjKNXUeslFAKi2HbTj8NyowOBgJMmyjGMMw8KNnd+POh7Yhq4uDI5FgAF++ZjHefm6nMhMBVZHNiX8rx9t8AeOGKvEtFPx262H83S9eNC1SBYAPvnE+PvWmMxBSZh+izpuXSot/r0aHw5XKv6gYr0JGRERUibAmHSMFOQRK7vnNSwfwhDTR7PqzZ+GSM6e5VKM64MIxc1gKmIHG/Q45p6tHDCvpbGt0qSYO0nPmMkWDnaZOaMAVi6fj5SOvnCrTS9lNNU8Bzrwa2P7AaBmHBIiIiErDcXSymdMt6kjfIL7+0DahrLO9ER+/7HSHa0LV4/6IvE0OmGlrirhUk2Gm73h15iKUQp67VP4hiwZhv8JjHiIiIiLH3LdhvzBPvSEcwFuWzXCxRlSUTWsHHt1ySNi+5MypiIbsmnc/fh2boxWGfMrnTY0c+w9EvuGtsRAiIiJSl5qzLdXVO/yvAeCmRCLxSxfrQkR0imEYuOfpnfjmo9tNk9MjoQC+es1i3HzubHcqpxxzh3ogLS5IaHQ4bKNQF79g2AbDUgAAyaEsbvvlRjyw8aDptlmtjfi3d6/Aso5W5yvmARk5YKbShHObjT/gznYPADndwLceS+B7v3vVdNuEaAj/cNNZuGLxdBdq5g0paX+vSrhSQdzfExERVSQIMURU1QXn5H9H+4bwxd9sEcomN0fxhbcucqlGVCshab9jBBTva5C9XO67dXVLATPtMZdq4iA9Yy5joBwRERGNi+Pt5B1fvn8rTkoXmbjj2qWIOXzhBKqA3D+0WrzF839UqlLaU411J6WAmZjLATMeZ/70l/meaprUDrhAlIiIiKiQ8i8GWJhhGFi9dp9QdtWSGZjQUGH4B3nGiVQGf3z1uFBm6xztImMEzZXO77eaJ2V1AQ/yPfYafUiB8SIiIiLyB555Ls+pniHDZYjUov1/9u48uq36zv//S5L3VXb2xA6JA9zsK2VroS0khVK6QUJbYL5npjNl6cy0/c5MoXRvZ1oKne4rdOb37cxAWwpt6U5LoHuhDAnZk8tiIHb2xJHtxHFsS/r9ITn2vZIXSVe6V1fPxzk+ia6kq3fiq4/ufetzX7eED327Tw3qXx7cqkd3HUq5r6WpWt+8cY2Wzml0obLicWrQm4EDYwbMQM8fPqFb7tuk5w+fSLnvknOm6ktvX6Vmt6+clJY3JosNRq0nvhX7Nl8qnwDHTpzWe773jP70/LGU+4wZ9frGjavVNq3OhcqKhz1QrNDbfsCRMaBUtngAALJXLtukiCCTeuCOj/9kpyJ91hCEf3vLEoU5EcNZHjgxK2Qbd+KMOyigjq5TltulETAzlLqsJN539AQAAJgcAh3grELO0X9s9yH93HaBlbesnK1XnzutcEXAMennMjEeoXgc77MGzDS73te0vaeK/PM9888XTiIDAABww459PTIP9VqWrT+vxaVqMGkOHC88tueQhkZd/bmiLKjXGE72aMavsbYyy1M+010QJ933q/CfIj9OxmTYf8f0BgAAQHYImMlMxO0CAExOvEQmZOza36Nb79+kl4/1pdx32cLp+vx1K7x70pKHmhd9LgfMjPVfUREaK2wj/RNKZbv/xfYDev+DW3VyIDVJ+z2Xna33rj1XoWBp/F9kayhmDZipLvfGLuHY27w8NWa44Zm9x/Xu+zfrQHd/yn1vXjlbd17DVQsno882blSX5zreZzYpNPOrYjh4GQ0AAEpImWyTIkLsJ6HwHtlxQD/fbj0h7A3LZunKpbNcqgj5VGYPmAl4I8gVpWFvl7U33NpUAgEz0cHUZemuxFfsym2/y96D7tQBAEDRoY+O4nTy9JA+8vAOy7JwTbk+fPVilypC5gh/gJPcP2Ho+Enr8XeTJy/0VERynfYSCNg2A8YYAACAQnhwU4fldktTtS6cP8WlalBIv9pp/W7u0nOmZh/6koW6qmwDZtI8j4AZAAAAAKP4cLZlXnUl/4y4WQQASNJDmzr1oR9t1+kha1BEICD987pz9e7XnK0gIRuTcmrA2jCrzjWkIcNJQoExZhBUlo0RtlGiQRtD0ZjuemSPvvWHF1Pua6gq0xfetlKXL5rhQmXFZ3DIuo3WVnrjxLfK8nECZkokQMkuHo/r/r/s1Sd+ulODUevvrSwY0EeuXqz/c9FZCpTouJCpvkHreF/oQLGM8XsFACArIVmPk315wjk8LdI3oA8/vNOyLFxTro+/aYlLFZWawp9YkRIww7iDAuo4bguYaa52qZICSjcBMlRe+DrybcZiafuo2we3uVYKAADFj347Ji8QcCcX5HO/flb7bReb+NBVizS1rrLwxSB/+P4PReR434DldnOty8feKYNzcb2fco8MIsQKAABgssaam5+p/sGofrxlv2XZtatbOEejKOT2Ozo1ENXvnj1iWXbFkpk5rTPFBD2CumzDbAiYwTAOG/3HPm7QGwAAAFlilnNmNkpa53YRAEpb/2BUn/zZLn3nL3tT7muqKdeX37FKl5wzzYXKnBMv8ASAUwPWk4BqHQ8cyO7fUzFWwEwJOtzbr3/8zjP6y4tdKfctmtWge25co7lTiv3qzIXb7odi1hNu8xOyMf6/J929FSG2+dFODUT1oYe364eb96XcN6OhUl+/YbXWnNXsQmXOcXu8rynglQQAAEDhlMs2KYKgBxTYJ3+2S0dPnLYs+/gbl2haPSeE5Yf7k/fsATOMO6XGvW2wu29Qvf3Wz725zcXeI5uE6GDqMj++75oXWG+fPOpOHQAAFBsmVMNh8QKcibG1I6Jv/9l6oZWL2qZo/ZqWvL828onxCDlw+YSh/sGo+mzfrzfVVBS0hgkVeWATuywAAADet3H3IXWfsn4vxbF6kcjxeOF3zx5R/+DIfPtQMKC1jl8It5ABM9HUZfCd4j5KxuTkHl8LAAAgETCTEdM0uyU95nYdAEpXR1ef/v47m7WtszvlvhWtYX39htWaEy6BK9Q67NTAkEYfaFfnJWwjc5Vl3qjDbU+/1KV3379Zh3tPp9x37eoWfeqtS1VVzv9VJgaj1kZSTYU3dgkrywmYGfbysZO6+X82ac/B3pT7Lmxr1lfesZqTU7Nw8rQtYIaxAwAAXwrJGqiooMtXVUVJ+c2ewykhkZcvnK43r5ztUkUohJAtYCbux6ALeNLerj7L7WBAml0K/eF0V9gLFc/nfWyyZ5AF6VsAAOCYIj8BHYUVUGGn5Q9GY/rAD7crNupFK8qC+vQ1yxRg2y0utt9XIO2WxO8UxeF430DKsuZatwNmivukqZzH9JTnF/f/BwAAeUeaG2yy2SQefLrTcvuitilqLYWLPfhCbvvfv9p50HL7gvnNanL6mGiCY4RaRwNm0ny/CqD4uBxIDAAA/INZzgD8oQQOin5rHtb7HtiiSF/q1Vn/z0Vn6UNvWEQgSZb6BqMa/ZHolbCNirLSDtuIx+P6f396SZ/+xW4Nxazv8YpQUB9702Jdf/5cJtVlwT5i1ngkVKki5I063LZx1yH93+9vSbkCuSTdfGmb3n+FobJQEY0PHnqPnhq0/p96ZdsHAADOKg/YrroT8sYxHvyvp39QH/zRdsuy+soyfeqtnBBWUC70Ccts4048wLiDwug4bg2YmdVYrfJi6hlkK90ESA8HO4VrrOE3Lx456VIlAACUCv/PHUBh5fsw8//744vafaDHsuy9l5+j+VNr8/vCyL8SmMuEfHI3TKTrpDVgJhiQGqq8Fu5aXD3X1N9opr9TTiIDACAnfF9bUpz4dR/s7tcfnjtiWbbhvJbcV4zCyGEjGBiK6bHdhyzLrlw6M9eK0hi/xrqsA2bSzI0mYAYAAADAKN6dbQkAOfDT16exWFxfeuw5ffnx51K+F64uD+nOa5bpLavmuFNcTrzTqO8ftF7d3guBA6FgQKGgd/6PCu3k6SF94Ifb9dOt+1Pum91YpW/cuEYrWsOFLyxXHv2CilAlb4jG4vrCo8/qq795PuW+usoy/fuG5bpy6SwXKvOPvgHrSZ/VHtn2AQCAs0KyBcx4+IRz+Mudv9ijA939lmUfvnqRZjZWuVQRCqXMNu7EGXdKWyw68WMc0tFlDZhpaaou2Gu7Kpoawq6g105yG7FsTqPltnmoV6eHolkExvvpmw8AAArNm9/RwZsCgUDBTtrfe6xPX9j4rGWZMaNe77qkrSCvD6dNIhDEo3MGALvjJ63H3uGaCgXdnsfks0CVjP85KeOHv/4/AAAAvOaHz3Rq9PVR6yrL9Hrm8BaR7I9fnmw/ph7bRUJftzgPATMT9AiyD5hJ8zwCZkpS5sGm8D56AwAAwBnMcgYADzt+ckDve2CLfvfskZT72qbW6hs3rpExs96FyorYJCbrVJe7HzBTkcWVhv3SGnjhyAnd8j+b9NzhEyn3XXLOVH3p7avUXFvhQmX+5YVQJUmqLOGAma6TA3rv957RH547mnLfuTPq9I0b12jBtDoXKvMXe8CMV7Z9AADgLHvQg5dPOId//Pn5o/ruU3sty1519lRdd16rSxWVEA+cmFUma3gxATMlpnaK9XbXCwV76Y7j1oCZuc01BXttV8VsATOBoBT0bl9p7hTr7yUai6t/MJZFwAwAAJiMgF++NIVr7EeZsTwFGsTjcX3o4e2WC+IEAtKnr1lW8hfm8A2fhWGgwOw9rwJvT119A5bbTTUe7LN7oC+YiZRfacYrsH02MMYAAABkJJOghXg8roee7rQsu3r5LFUz57R45HC88KudBy23V7aGXbmwUK2TATMvPMb8KcAPcm4uAAAAJDDLGQA8amtHRO++f7P2RU6l3Hflkpn67Iblqq+iyZMPXggcKNUJY7/cfkDvf2ibTpxOTcn+x8vO1vvWnquQ21dE8iEvhCpJOWz3RTZpyG5LR0Tvvm+T9nf3p9z3phWzdec1y7L/kgAWp2wBMzl/2Zduwlbet0c6wQAATCQ1YIZ9KeRX38CQbv/hNsuymoqQ7rxmWeKq5/C9Mln7GPGAN46zUSAzV1hvH31OGuyXyvM/yXBvl7V33FoyATO23qHHP+sDWV8hkc8QAAAcw7EZMhAMBDT6+5h8nb//4y37Uy4+8VcXnqU1ZzXl5wWRf5MaaxiPUBwitoAZb1wIqri/K8++PzC8AgJmAAAACmXz3uNqP3rSsmz9mhaXqkF2Uve/45PYJ4/G4vrVzkOWZVcsmelYVVbj11iX7dzxskppxlLp0I6RZY/cIZ33txO+PoobbfBSYP8l0xsAAADZ8faMyzwwDOM5JfaerjNNc4vL5QBAing8ru88tVef+MkuDUStVz8OBQP6wJUL9XeXzOcEpTyqqcj14zH3g/RSC5gZisZ0969M3fv79pT76qvK9IXrVmrt4hkuVOZ/1eUhBXMN7clm0kqal6wcb7v34ZgXj8d1/1/26pM/TR3vy4IBfegNi/TXF89jvHdQ34D1BLTanMf7fON3DwBANspk3bdSkKAH5Ndnf2WqwxbycPuVC0sn6MFzCj95IpQy7hAKXVLq7T2ruBQ9XZCAmc6uPsvt1ubqvL+mJ0TtATO85wAAwGhMqEZuUi4Cm4dN6vjJAX3yZ7ssy2Y2VOn9VxjOvxhcE2A8Qk7cPWGo66Q1YKapxgsBM3bF9X166udLhr/TlICZWPrHAQAAIGcPPt1pud02tZZA2GKT5dzrZ/Ye19ETpy3LrliSp3MYJqixriqHOc6vuUN64IaR20P90pNfy359AAAAAHzF62dU5sMCJb5ta3a7EADO8cukjFMDUX3o4e364eZ9KfdNq6/UV9+xShe0TXGhsjwYtyHm3gSAQECqKnc43CWLBmVFqHQCZo70ntY/fneznmzvSrlv4cx6ffPGNZo3tdaFykpDTUWeTrbNYrsfN2DGZ04NRPXhh3foB5s7U+6bXl+pr9+wWufNK4Xd1cKO930DUcvtvG3/AADAVWWynXQe4qRz5M/TL3Xp239+ybLsFfOa9FcXnuVOQSXJ/RNJ7ONOPMCxRmlxZxuMxeLqPG4Nt5pbKsFWsUHr7ZBPv+6099eGBtI/DgAATIL7xw0oHkHbflgsDwkzn/rF7pTwhk+8eYnqq+hjFbdJpBNxcREUieNeDJjJR+JXMUlJqCFgBgAAIBOT3Z3sGxjSz7YdsCy7dk0LF4ssEb/aedBy+9wZdWqbVpenVxt/m6opz2HewaKrpfNvkp66N/t1APCeQqSjAwCAkuDTGZfjikhqlNQm6XF3SwGQL/EinCD24tGTuvW+TdpzsDflvvPnNeur16/S9Ib8X/W2FI0OKKopD3miAVwqQRubXu7Su+/frEM9p1Puu2b1HH3qLctU7asACPe3LbuaSu/8/1aUyHb/8rGTuuW+zdp9oCflvgvmN+sr16/S9HrG+3ywB8z4a3wBAADDQrJNqg6WYgsUhdA/GNVtD22zfFdfWRbUXdcuVzDoveM/5E+ZbdyJM+6gAA73ntZA1LrttTaVSsCMLUwu6NOTcBvmWG/37pdORaTqsBvVAABQRAh0QG7sh/RRhyfp//n5o3pok/UiFFcsmaErlsx09HXgBem2HcYjTFLKCUOFffmuPmu4a1OtBwJm7P8JRf75nvHHS8A2p4aAGQAAgDHlsqv4q50HdeL0yHdRwYB07eoWB6pCYWW+EcTjcT1iC5i5Mp/9mnFKrK0I5T7vZN2/SnuflA5uy209KFpkj5QCfskAACA7pXEWr1VX8s81rlYBAKP8audBvekrf0wbLnPTpW26/10XEC5TINUV3jgByO9BG/F4XN/+04t62z1PpoTLlIcC+re3LNXnNqwg/KEAasq9sc1LUmWZ/3/fj+0+pDd+5Y9pw2VuurRN9//dBYTL5NEpW8BMDWMMAAC+VCbrZ75vTzqH67648Tm1Hz1pWfbPrzs3j1evwqS4MEOmTNawCwJmUIjtcG9Xn+V2ZVlQ0+or8/66nhC1nuTm2zC5aQtT92OOPudOLQAAFBNmzSNH9pN3YjHntqn+wag++KPtlmV1lWX6xJuWOvYa8BLGIxSv4ycHLLeba+mz5yrnC56lBMxE0z8OAAAAOXnwaWso7CXnTNPMRub1Fp0s9r93H+hVR9cpy7LXuRQIXFflwPef5VXShm9LFcxhAXwjJZCY/iMAAMiOT2dcTigg6TpJt7pdCIDSNhSN6bO/NnXP79pT7qurLNNn1y/X65fNcqGy0uWVsIFsAmbiRXKlq76BIX3gB9v1k637U+6b1Vilr9+wWqvmNrlQWWmqqfTGNi/5O1gpGovrixuf1Vcefz7lvtqKkD67YYWu8u14742xKSalXNndK2M+AABwVlnAHjDDZz6ct60zom/9wdrPWdHSqHe+cr5LFZUwD1ypuEzWYw0CZkqMS9tghy1gpqWpOvcTlYpFzBrqpJBPT3Irq5AqaqX+yMiy2OCYDwcAAOMpkf0kOCKfW8tXHn9OLx2z7svffqXBiWp+MZkTPErluA0OsG8rhT1h6HifNWCmqaaioK+fVsp7qrjfT/GMf6fF/e8FAABw22T2vjq6+vTnF45Zlm04ryU/BSHPMt9/fmTnQcvtlqZqLZnd4FRBaYxdY22lQ3MOpiyQrv6i9MO/c2Z98LQAx40AAACYpFKc5RxJ/hk2DOPTpml+0M1iAJSuw739es93n9GT7V0p9xkz6vWNG1f7/IrXbjUvxn9dr4QNVIT8GbTRfuSEbrlvk549dCLlvledPVVfevtKTakrkSste4RXtnnJv9t918kBvfd7z+gPzx1Nue/s6XX65o1rdPZ0P4/33pDu6pLVFUV4OETSOAAAEyqTPWCmCD/z4WkDQzHd9tA2RUftY5aHArp7/QqV+fS4BuML2YKt4gHGHeRfx3HrSalzm2tcqsQFUVvIisc/64NpPhpOnB5SY7VPg3EAAHAdfXR4056DPSkXH1o9N6wbLjjLpYqQbwHGIxSx4yetATPNtR4ImLErssCmlMigXIcI5g4AAACMKduLMvxgc6fldkNVmdYumuFESSi0NNvARHvQv7YFzFyxZGZ+L/CRtsbEsjqnAmYkafGb0wfMFNkxFQDJ7UBiAADgH96ecZlfAUm3G4axWtLdkro0Ej7jFV2mafa4XQRQDIqttfH0S1169/2bdbj3dMp9b1k5W5++ZplqivGkdx+o9kjYRkWZ/05Ie2THQf3Lg1t14vRQyn1//9oF+qd1hkLBYns3Fz+3xpp0v+nK8vG2+/G2De9uN1s7Inr3/Zu1L3Iq5b6rl8/SXdcudy5lHuOKpplcVZvzmJ+uKevg9siXNwAAZCUlYCbEydtw1td/+7z2HOy1LPvHy86RMbPepYrgNvu4Ew96o78Ef+vosvYaWkspYCZm6y96/LN+am2l6ivL1DuqL7q9M6I54WoXqwIAoMTQb0cOnJiiH43F9YEfbNfQqLDasmBAd16zXEG+I/cR2+8yXfgD4xEmy76tFDhMpKvPGjDT5ImAmeI+acoeQJvmGjnjY/wAAADISXyCfepYLK6HNlkDZt68co6qyvnutzhltv/80tGTKfNArlw608mC0hi7RkcDZjx+sQ7kT3EfRSMtl/tFAADAP0r5KCGuxNHYuuSPJxmG8YJpmue6XQdQbLx6iBSPx/X//ekl3fmL3ZaJQ1LiStcfvXqxbrzwrPwmHWNcNU4EzDhwkO6ngJmhaEyf/bWZcjU2SaqvKtPnr1updYtJd3eLV7Z5SaoI+We7j8fj+u5THfr4T3ZqIBqz3FcWDOiDVy3S37xyHuN9AUXTzM7ySqgYAABwVpms+19MlICTdh/o0Vcff96ybNGsBt36mgUuVQQFbcES/d2J49QCHm+lBsww7sC5DvWhnn5t6Yho295jOvv5/6fl0V2aN6NJV+89raVlQfWoRr3xGl16qk3a+ZxUWS9VNkpVDVJlQ+J2Ra2/TkKyB8x4/D0XDAa0ZE6DnmzvOrPsxaN92a2MCWIAAEyMz0vkKB/f393/l5e1pSNiWXbLqxcQVgtgHO4dx58aiKp/0Npnb6rxQsCMXXH1OkK2z5dYzvss7PMAADCe4tpTgNOy+f0/+eIxdR63XuBhw3ktzhSEwsuwv/OrnQctt6fWVWj13CYnK0o1To2OXrw0GJQCQSkem/ixADzOPm7QGwAAANnx9ozL/BsOmfEyr9cHYJJOnB7S7Q9t08+3H0i5b1Zjlb5+w2qtyncTqkgU+hA3MOoVayry8dGY+VDul6CNI72n9Z7vPqMn2o+l3LdwZr2+eeMazZta60JlLhmnERx36SSf/GzzUlbbvU+ClfoHo/rwwztSrmQgSdPrK/W1G1brFfOaXajMe+IF3OxjtoCZUDDgm7EWAABYlam4TjpH8RiKxnTbQ9ssocGhYECfXb9c5exbumeKLdznVJfUs19qnFOwEuwBMwow7pQW5w5ue/sHtb2zW1s6I9raEdHWjm4d7OmXJL0r9DO9tfw7iQdGpNdK1m/59iR/0pYYSgTNnAmdaRj5e1UyhObM3xutjx19f9AjQa3RQevtIvist19lcNInkfkpGAgAAFfxmYrs5Xr+/4HuU7r7EdOybP7UWv3DZWfntmJ4T8r+Oyd4wEmF2566TvanLGv2QsBMkYfI2QPM4hn/e7hKOQAAuYjTG8AE7HN+jRn1Wjan0aVqkLvM3vOP2AJm1i2eqVDQvXGj3smAGSnxfWp0wNl1wnP4ahkAAACT5f0Zl/kzvNv8kKQ7JUUkdY35aOfdJOkujf3NX0DSRkkbClYRgLx57lCvbr5vk9qPnEy575JzpuqLb1upKXWVLlQGu5oKb5wkkU3Qhte+/Nj08nG9+/5NOtRzOuW+t66ao0+/dZmqPfL/Xcq8ss1LUmWZd2rJ1t5jfbrlvk3adaAn5b7z5zfrq9ev0vT6KhcqQ9Q2uaqmPJSXK1ACAAD3hWS74k4RnHSO4vCtP7yo7fu6LctuvrRNS5lU5q6m+VJZtTQ06mpy3R0FDZgJ2QJmYow7mISBoZj2HOzR1o6ItnR0a2tnRC8cOTHmuUEXBHdn/2LxqNQfSfzkoqIuETRTHZZmLJXOukiae5E01Uhc+a5QYraAmVB54V4bAAB4XoBAB+TI6a+PPvbjnTpx2hqI/Km3LlVVefF/N4oJEP6AXBToq+ye4bDbjoiefalTb9v7cb0itk1mZVAR1ao7Xqtu1anh4f+WqpsTPYHqJqkq+af9dlWjFCpQb6zIvu+3n5wayzhfprj+vQAAAF4z3u7XidND+uV2a8DIhvNamGNaIg719OuZvRHLsiuWzCjAK4+9fdU6HjBTTsAM4Af2zyX6jwAAIEulPMs5Lulu0zTvKOSLGobRIOlbktYnaxi9Zzf69u2maX62kLUByI8fb9mnO364XX0D0ZT73nPZ2Xrv2nNdTTd2jUcbrl4J28gmYMYr4vG4/vuJl/VvP9+lwai1YVEeCuijVy/WjReeRdPdI9za5qNpZsoU83YvSb/Zc1jv/d4z6ukfSrnv7141X7e/fqHKQ8X9byxm9m2OgCsAAPyrzBb0QMAMnPDCkRP6wsZnLcsWTKvVey4/x6WKcEYwKJVVWANmCjyBwj7uxBl3YBOLxfXSsZPa2hnR1o7ESVu79vdoIBqb+MlJlRqc+EH5NnAi8dO7Xzq8S9r+/cTy6iap9UJp7oXSWRdLs1Ym3pf5ErP1XnjPAQAAizTHA3wviRzEczjGfGTHQf161yHLsg1rWnTxgqm5loUiYA+8iikgvi1G1hzod50eimrPgV5t7YxoS0dEWzsiemHUxdL+PvSwLi5/JjmDNaoZimhGIJK481lz8i9UUZ8Mn2kcP4ymOiw1tiYCpAsZXOsS+/TAWM6/U04iAwAAGEumraCfb9uvU4Mj3/mGggG9eWXhLmiCPEizDYx1Md9f77SGC9VXlhWmd5NmQx3ey3c+YCbd+uiZ+l0ufU14lf19y+8YAABkpxRnXIaTf0ZcCJdZKemxZA32YBkll7VL2mCa5jOFrA0oft47KBoYiunTv9itb//5pZT7GqvL9YW3rdBlCwuRbIxMVJd746OxskiDNvoGhnTHD7frx1v2p9w3q7FKX7thtVbPbXKhMoylpsKdbd4ePiQV73YfjcX1pcee05cfey7lvtqKkO5ev0JvWD7LhcowWswWMOOVQLHMeW+fBwAArykL2AJmQuXuFALfiMbiuu2hbRoYGgmCCASku9ev4GrjkCSFCJiBzZHefm158ZC2dkSSoTKRtIG0mSiTNYzmiehi7Y1PV32gT02hfl00p1zq75FO90ine6XBvpxeLyOnjkvP/jLxI0llVdIr/k667CNSeZXzrxe1B8z4+LO+rFrS8ZHbJw6N+VAAAJDEpHl4RE//oD72kx2WZVNqK/TBqxa5VBHyb/wTPBidkJncTvSLxeJqP3rS0pvYfaB33LDbBcHUuT5ZGehN/HRP8vEVddKMpdKs5dLM5Yk/py2aRHhtcZ0MGbDVm+a6TBOuAQAAAPnx4NOdltuvNaZrWn2lS9XAGZPff/7VTuv3b5ctml6gi6aOXWN9lcNzDkLMYQB8wR5MxfchAAAgS6V6hBCX9P1CvqBhGHdKuk0jR4Dx5N9Hh8s8aJrm2wpZF+BXY6ULF8qB7lP6+/s3a/PeSMp9S2Y36Js3rlFrc03hC/MUl35HE0SSeyVwoCJUfEEbLx49qVv+Z5PMQ70p9128YIq+8o5VmlJHs91r3Nrm001aGjdgxqNXljx+ckDvfWCLfv/skZT7zp5ep2/euFpnT693oTIP8cjvzp5pVO1SuFJmvPF/BwBAsSmzBT0o6I3jPBSv/37iJW16+bhl2TtfOV9rziJAFQn24A8FiuF4A045ORhVrW3Z2s//Xt2qy2p95aGAFs9q0IrWsFa0hLWiNawTp4c0+C1rqMpPYxfpO9HLJUlLpzfoZ++6xLqi6GAiaKa/O/Hn6R5rAE1/96hl6e5P/j2bUyCH+qUnvpo4OWzlO7L6fxhXbNB6288TIqcvknpHneB3cJu09Br36gEAoFh55LsKFAentpbPPmLqUM9py7KPvnGxmmonCkyAb3CCBxw1/vZ0qKdfWzoiZwJltnV0q/d0ZmG3AbdikAZOSB1PJn6GBcsTx8SzlkuzV0lLrin+95TTuyPF/v8BAABQYGPtPrUfOaGnbfMBNpzXUoCKkFeT7AdG+gb0RPsxy7Irl8zMR0Wpxqmx1un5/VwkBwAAAMAopXiE0Jz8c1MhXswwjAZJj0lardRAmeGQGUnaYJrmDwpRE4D8+tPzR/We7z6jYycHUu57+yta9fE3LeHq1h5W7ZWAmYKkXjvnVzsP6l++vzXt5JRbX7NA/7zuXJUVYWhOKfBKqJKUw3bv0qTgbZ0R3XrfZu2LnEq57w3LZumu9ctVV1mKu9veFLVd/suRL1+YsAUAgCelBsyUu1MIfGHvsT7d/YhpWXbWlBr9y+sMlyqCF9nHnTiTs3xrMBqTebDXcsJW5HCHnsohU7ltWq1WJoNkVrSGtWhWvSrLrMes2zojKUFGgxp5zNx0YeahcqmmOfGTrVgscZKXPYAm8rK098nET3fH2M/vfCo/ATNRW8CMnz/rp54jvfDYyO2TqSHHAABgMgiYQfay+TZo08tduu8vL1uWXXruNL1pxWxnioI32b63tod1uH2xLBSZgG3+xKjvpnv6B7W9s1tbOiLa1hnR1o5uHezpz/qlKkJBLZrdoOpjIY1uP/wier4eiZ6vC2cHdf2yBqk/Ip06Lp1K/jn69lDqvImcxAYTIasHt0nP3Cf94QtSddj6mGIPkMt0vkHKv5f5CgAAAGMJZHD89YPNnZbbU2ordNnC6U6XhIKb3Dbw2O7DlvnFlWVBvdqYlq+iJq3W6fnnfv4+FWcU+VEyJoXeAAAAcEYpznIOK7H31J7vFzIM4xpJ30q+5uhwGWkkXGazEuEyL+a7HgD5FYvF9Y3fvaDP/dqU7Rx2VZYF9a9vXqrrXtHqTnGYNGfCNnI/SC+WgJmhaEz//utn9c3fvZByX31lmT533Qq9rlAp3kXBe227mgondgedaUzZT57ysu89tVcf/fFODUStJ3eFggHd8fqF+ttXzVeg2Ccz+UzM9uGct0Axfu8AALguNWCmFFugcEI8HtcHfrhNpwat29RnrlnumYBaDHN3AgUBM/4Uj8f18rE+be2MnAmU2bm/R6eHrL2AdNMLx7ri97T6Sq1sDWtla1grWsJa1tKoxurJTeYrkzXYORof6R+2NqUJmHFCMChVNSR+NMd63yv+LvFnpCMZNvNnac8vpBMHRx6Tr2DWmC3k2s/vOT//2wAAyJd0+yD07lFAA0Mx3fHD7ZZNsao8qE+9ZSnfHwKYPFvAzKmBQX3o+1u0tSOiF46czGnVC6bVasWo/sTCZNjtX/69XDox8riX4jP1k9jFqp3dKr16+fgrHewfP4Am3e2+Y4llk9HTmfgpYrl/AvAZAgAAkJM0LaNoLK4fbNpnWfaWVXNUzkVVi98kezCP7DxouX3pudMcmls/GWPXWF/ldMAMc1xKEdEjPmQf27hYLgAAyFIpzkp8RgUImDEM4xuSbtLIEd9woMzwnltA0l2mad6RzzoAFEb3qUH98/e3aOPuwyn3zW2u0ddvWK2lcxpdqMzDxmnaxQs8qWr0q9XmoyGYxb+nIpR5E6/QrYGjJ07rPd99Rn9+4VjKfQtn1usbN67R/Km1Ba6qmLkzEaSm0jshG8UQrNQ/GNVHf7xD3386deLStPpKfe361Tp/fg5XBi85hdvuo7YGqjOBYgAAwIsImIFTvve/HSnHvDdcMFcXLZjiUkXwqpSAmQDHG8Xo6InT2tYZ0ZaObm3tiGhrZ0SRvsEJn3dS1SnL5gSOarA8ESCzsrVJK1sbtaI1rJkNVVmfUFoma7DN0Kiv+Fqa8xQwMxnh1sTP8g2JK989dU/+X9MeMBPisx4AAIwYK+wPmCz7Pnumc/Tv/f0LevbQCcuyf1p3rlrd3G9HgYx/vBcnHAITiMXiaj96Uls7IurZ/bL+ZtR9J08P6oeb94353LHMbKjSimRfYjjstqFqcmG3w8NfU03FxA8ur5LKZ0r1GV6EqvegdGCbdHBr8s9t0vGXMltHkcp5j4VdHgAAgDFN9uu4Pz5/VAd7+i3L1q9pyUNFKLzUjcB+XN43MKTfP3vEsuyKQl5YN+2GmlhWW+nw95+hNMeBBCEDRYj3LQAAcEbJzbg0TXNNPtdvGMY8SY9KapM1UEYaCZmJSNpgmuZj+awFKCVuThLbub9bt963WXu7+lLuu3zhdH3+upVqrJncF/NwnyNXIHcgBdbrQRub9x7Xu+/bnNJUl6S3rpqjT711aQHTu5GLmnJvbPOSFAp6u+HV0dWnW+7bpJ37e1LuO39es756/SpNb6hyoTJMRixmD5hhjAIAwK/sJ+Bz0jmysT9ySp/6+W7LstmNVfrA6xe6VBG8LGQPmCHYyvP6Boa0Y1+PtnZEtKUzoq0dEXUeP5XdulSll+IzNS8wcnW7/7yyStMuucLRXoc9yGhII/3D1qbUkBtfi9qCf4Il1H/n5DEAACYh3Qemt7+Dgn+0HzmhLz/+vGXZ4lkNeucr57tUEQAvO9TTry0dkTNBt9s6utV7OhGqen7gsP6mcuSxQXvfO436yjItb23UipbwmUCZmY0ZzGEYY+5Hc+0kAmayVZ8MpTn3dSPLTkWkQzukn/yj1JXX60gWF07+BAAAcNyDT3dYbi+d06BFsxpcqgaOmsT+8+/MIzo9NHKsFQoGtHbR9HxWZTN2jY4HzDCHAfApJhAAAIDscITgIMMw3iXpm8mb9nCZ4WUblQiX6S5kbUCpKdRVfx58ukMffniHpbEkScGA9M+vM3Trqxco6PHABC9y86pNNU4EzKTI/N+TXcBM/v/f4vG4/ufJl/WvP9ulwaj1Y648FNBHrl6sv7rwrKyvxFza3Pk/c7wBfYa/toHf7Dms9z2wRd2nUq9c/revmq8PvH6hykPeDobyokKO91HbZDhHAsXc4FCgEwAAfmYPemCSBDIVj8f1oR9t14nkyRzDPn3NMtVP8uq+KC0h2wk+8QDjjpcMRWN69tAJbU0GyWzpiOjZQ72K5XB4NW9KzZkTtVa0htX624XSiyMBMzMrTieaxA6yf74NaeS4dm5zjaOv5Zw8HcPGbP2ZdFfcAwAApStdH53vLpEB+9YSn+R+bTwe1wd/tF0Do+aPBAPSZ65dpjK+RywNjDUYR0//oHZ0dp8Jut3a0Z32ok7DYrbRKGgbiypCQS2a3aAVLSOBMm1Tax2dpzb8fX5TTR4DZtKpDkvzXiXVTh8/YKbI3nPOl8vcAQAAgEzYj++7+wb1612HLMs2rGktZEnIq4l3wH+186Dl9oVtzQoX8vhnnIOEegJmAKRjHzc4rwAAAGSJIwQHGIbRIOlBSWs1EiwTH/X34b23203T/KwrRQJwVP9gVJ/46U5996mOlPuaayv05bev0qvOmepCZcXEm1/yOxM4kPtBenYBM/nVNzCkD/1oh370zL6U+2Y2VOlrN6zWmrOaXKgMufDKNj8xd8aMWCyuLz32nL78+HMp/beaipDuXr9cVy+f7UptyEzUduZgTXkRBMwU2YQ4AAA8IR5XWcB2JdcgJ52XsqFo5scrP3pmn35jHrEsW7+mRa8xCnmlKmTE5X3nclnDiOJMznJNPB5X5/FTlqt/b9/Xrf7Bia/yPZapdRUjV/5uDWv5nEY12a/cHcx/L69sjICZQECa01Sd99f3lFjxh8nZ+xQAAMBJ6T5n6bcj/x7c1Kkn27ssy/7mlfO1vCXsTkEAXHN6KKo9B3q1tTNypkfxwpGTGa3DfrGWsoB0zeo5WpkMvF04q16VZc5+5x0YY+5HU61LPfbARP2W4v58z/wcME4iAwAgM3xWlrLJ7Cn+ZOs+S0hsRSioN69kPnCpGBiK6bE9hy3Lrlwy06VqUjl+AdlgEcyZRs6Ydl4KUuPRAQAAslF8My49xjCMy5QIlwlrJFBm2HC4TLukDaZpPlPwAgE4rqOrT7fev0k79vWk3Ldqblhfv2G1ZjWW2IR+h7l5iFtT4cBHo/0L/Cw6NZVZXMHMPrnESS8ePalb79ukPQd7U+67qG2KvnL9Kk2tq8zb6/vGeNuCSx29GkcCZtLwQYcy0jeg935vi3737JGU+xZMq9U3b1yjc2bUu1BZsRlvWyjcdhKzjc01Tn/5AgAAPCFkO/leUlGedI7sTau3Hps+e/hERs8/3NuvT/x0V8o6P/KGxTnXhgIq8MkVIVnDS+IBxp1C6To5oK1nrvwd0dbObnWdHMh6fdXlIS1raTxzstaK1kbNCVcrkGmfw+FtMKCAygLWz7hoMmBmRn2V4yeUeV500Hq7CD7r7b3T5zL8fBrBBDEAALLig++t4G1HT5zWp36+27JsTrha/7TuXJcqghflc04H3BOLxfXisZNnehNbOru1e3+PBqLZh93ObKjSK6ZOkfaPLKurDOnz163MveAMDG+zTTUVEzwyTyYMmCkugVzHAPZnAAAAcmL/+u6hTZ2W2+sWz1DYrX1fOG+C/ecn2o+pt996IZnXFTxgZuwanQ+Y8f73qXAeuaQ+RG8AAAA4hCOEHBiGcaek2zRyVDccKDO8Cx6QdI9pmre6UB5yYBhGWNJaSW+T1Jb8CUuKKBEY1C7pAdM0H3KnQrjlN3sO630PbFH3qcGU+/764nn64FWLVFHmry+3/Wf8A+q8hW1kyEvb0a93HtQ/f3+rek8Ppdx3y6sX6F9ed67KsgjEgTc4EqrkQzv2deuW+zap8/iplPuuWjZTd69foToCSoqK/crgzoz3dN4BwM/oDRSnkFKPW7gKT2lZYbsq+O79PYrF4goGJ/cF+0cf3pnS9/nUW5aqscalq/SiKJTZxp44k7Py4tRAVDv3dyeu/N3Zra0dEe3t6st6faFgQMaMeq1oDWtla6NWtIZ19rQ6z/a5ymxBRoPJgJnWZg+FnRdqMlPM1p8PeX+MXtEa1vf+t+PM7Z37u12sBgCQCfoDRSjtrHkmXWPyUnZrJ/F10L/+bFdKP+Hf3rLU+ZOBALjuUE9/ojfREdHWzoi2dXSnnU8zWfWVZVre2pgMuk0E3s5srJI6npL+c9QDC3JWWDztreZatwJmJvj8LvKTquI5/06ZrwAAhUJvAPCfZw/1amun9bua9ee1uFQN8mP844VHdhy03F41N6wZDVX5LCjVOMc0js9RD3r/+1QAWaA1AAAAssS32FkwDGOepAclrVZqoMxwyIwkbTBN8wcFLxBZSzaA75J0U5q7I0o0g1cnf9YbhiFJD0m63TTN9oIUibTy/XVxNBbXlzY+qy8//nzKfdXlIX3m2mV688o5ea7CZzz0JX9g1FF1dXk+Agcy/7dmEzDjdG8gGovrc7829fXfvpByX31lmf79uhW6ouBJ3XCaIyEbrsdbOzuePPC/e/WRH+/UwJD1xK1QMKA7Xr9Qf/uq+ZlfuRyus18gLn/bPtsGABQ7egPFLRRPc1XYIjjpHM6Z2Wid8DMQjSkWjys4if20X2w/oEd2WicRXb18lgtXqULm3N0PD9mCPwiYyV00Ftdzh3sTV/7uSITJmId6U8JDMzG3uSZ5olajVraGtWR2o6odC5vO/zZoDzKKxocDZmry/tpZy1fPKGY7ca8IJkTaP5/6B6IuVQIAmCz6A8UszT4I3+sgj35rHtaPt+y3LLt6+Sy9duF0lyqCV8X5HrHo9PQPakdnt7Z0JgNlOrp1sKc/6/WVhwJaPKvhTJDMitaw2qbWjhGOnUXaVY7G2kKb3AqYgY3tN+T6XB0A8D96A0ARm+Dw68GnOyy3ZzRU6tJzpuWxIBTcOP3AaCyuR3cdsiy70pV5Iak1xhVQdXlIoUleRGnS0s5hoE8BFJ/C94sAAIA/Mcs5Q4ZhXCvp+8mbo8NlpJFwmc1KhMu8WODykAPDMNYrERw0LCLpXkn3jG7yGobRJulmJZrFYUnrlWgK322a5u0FKxjjcvIQqevkgN77vWf0h+eOptzXNq1W37xxjc6dUe/gK8LNZpUjgQN2WUxYrHD5SsnHTpzWe773jP70/LGU+4wZ9frGjavVNq3Ohcr8y43JZBWhoMo9elXujDg0Kbh/MKqP/XinHrB9cSRJU+sq9bXrV+mCtimOvBYS4gWc0B21Ta5yJlAsDSapA0BRozdQ/Own30saY5IE/Crb3bGukwP66I93WJY111boE29a4kBV8Lty29hDwExm4vG49kVOaWtHt7Z2RrSlI6Id+7rVl0MAR3NthVa0NCZO2EqetFXYq207P4mnzBZkNKhkwEyThwNm8iVqD5jJ0zG+g7LuFtg/2IayP5ERADB59AeKW4AJ1ciZdR9svC2qb2BIH37Y2k9oqCrTR9+4OA91wfMmaEwxOnnb6aGo9hzoPdOb2NbZrReOnMgpw2PBtFqtaA1rZbI3sXBWvSrLJnkMa9+eXAgTiSugsmBA9ZVe7XUV13fzKb/SjFfgVCUAgMmgNwD4z/D+12A0ph89s89y31tXtTgf6AGXjf373Lz3uI6eOG1Z5spFd8foI9RV5eEYrAi+TwUwCR7oFwEAAH/w6jc/nmQYxgNKNP2G98aGA2WG98YCku4yTfMOF8pDDgzDuEvSbaMWPSTpXaZpRuyPTTaFb5d0u+15txmGsdo0zXX5rheF88ze4/r7+zdrf3fqpO2rls3U3etXqM6zX6J7nTebsLVO/D4dOEivKMs89MOpgJJn9h7Xu+/frANptvs3r5ytO69ZppoKtns/cO4q3W43pnLf9ju6+nTr/Zu0Y19Pyn3nndWkr92wWjMaqtI8E8UiZrvKvSPjWNrxPt+fb26/3wDAv+gN+ENIacIIguWFLwRF55M/3amjJwYsyz7+piWaUlfpUkUoJiFb8Ec8QN9kPJG+AW3t7E5e+TuirZ2RlPdfJqrKg1o2p/HMlb9XtobV0lStgM8CQMtsn3FRJfqHrc0lGDATG7TeDvn4s76x1Xr78B536gCAEkJ/wAfSttH9tW8I7/jixufUefyUZdkHr1qk6fV8rwh4WSwW14vHTp7pTWzp7Nbu/T0aiMYmfvIYZjRUWnoTy1oa1VCVy/Gq/YSh7Gub/CumfoiGayrc67H4rLfjPOYOAEC+0BsAil9gnF7Qb80jKd9NbjivJd8lodDGOZ54ZMdBy+2FM+s1b2ptviuatLycn8RFckqCfezjqNGP6JUAAABncIQwCYZhrFQigbpN1kAZaSRkJiJpg2majxW6PuTGMIzbZGsCm6a5YTLPNU3zdsMwjkm6K7lorWEYD072+fCueDyu+558WZ/82S4NRq2H1WXBgO64apHe+cp5vjtJwSucCkrJVCAgVWYR7DKJNWf8jGwCZnIVj8d131/26pM/3Zl2u//I1Yv1fy46i+3eR2odC5hJw+ntJI/b3W/Nw3rfA1sU6RtMue+dr5yvO65aqPJQ4d+TcFY0JWDGie0/Tevd0W2V8RYACoXegH8E4+kCZrgKTykJptkf6xuMqmGcffqNuw7p4S37LcvWLZ6hNy6f5Xh9yJOA7fc7eCr94/IkJdwqyDHksP7BqHYd6Bk5YasjopeO9WW9vmBAOndGfeLK38mrf587o05lJXDcbt/OhpJf8bU2VbtRzhgKdBwbtfVw/BwmN3O59fbRZ92pAwBKBP0Bv8h37x5I2LGvW//xh3bLsvPnN+u681rHeAZ8z96fsHFrLgykQz392pLsTWzr7NbWzoh6+4eyXl99ZZmWt46E3a5oCWtmo8PBUimbixunhQXUXOvhY+4i+3zPvdzi+vcCQLGiNwD430ObOiy3V88Na8G0OpeqQf6k33+Ox+P61U5rwMzrlswsREGTVluZh3lOBMwAPkWMEAAAyA5HCBMwDOP9kj6TvDkcLjM6ZCYgaaMS4TLdha8QuTAMY61GmriS1J5pE9c0zbsNw3iFpPXJResNw7jNNM27naoThdU3MKQP/WiHfvTMvpT7ptdX6ms3rNYr5jW7UBnyraY85FB4Su4H6dkEzOQyGenUQFQf+tF2/TDNdj+joVJfv2G11pzFdu831U4FzMTd2eZHZLftx2Jxffnx5/Slx55L+SfUVIR017XL9cYVs3OoC14Si+cjYCYdJnUBQLGhN+AvZfaQB4lJEiVmVmOVykMBS3Dqjs5uXXz21LSP7z41qA89vN2yrKGqTP/2lqUErBaTprOkvqMjtw/tkM5ZW7CXt489cT+HXYwjGour/ciJxAlbnRFt7ejW7gM9Gopl3zdoaapOXPk7ecLW0jkNqqnw4LhegPGiPCVgJtFLmTulJu+v7Tkx20mAIR+/56oarbft/3YAgGPoD/gdx3eYPPvufbqvQoeiMd3xw+0afbhTEQrq029dpmCQ7a1kTRAwg8Lo6R/Ujs5ubemMJANvu3Wwpz/r9ZWHAlo8q+FMkMyK1rDaptYW4L0+icHIcfGUW001FQV43bH4ezzN+VdakG0CAEoLvQHA3+LxuI6dOK3Hdh+2LN9AUKw/jfH97c79Peo8br1gzZVuBcyMUWNdZR6+D/fz96lAKbEPG/QGAABAljw4C9cbDMNokPSgpLUaCZQZHS4zvEt2s2ma33KlSDjhQdvtm7Ncz+0aaQRL0l2GYTxkmmb7WE+A05w5KGo/ckK33rdZ5qHelPsumN+sr1y/StPrHb7iTKka56QLt67aVJ2vk1OyOMGkooBXXX7p6Endct8m7TmYut1f2Nasr7xjtabVVxasntJV+O2+Nh8N6DMy+/dU5rLNZ/Eei/QN6H0PbNFvzSMp97VNq9U9N67ROTPqs68Jk1LI8T4aswfMOLD9p2vKchIyABQjegM+EkoXMMMkiZJSVR7SwpkN2r5vJAv8+SMnxgyYufMXu3Wo57Rl2YevXqwZDfR/isqMpdK+TSO3u14o6MunBMwE8hVo6R3xeFwHe/q1tSOiLR3d2toR0fZ93TpxOvvwi8bq8mSYTKNWzg1reUtYU+uKtCfl9CSeeEzBgHWdQwqpIhTUDE/3q/M0mckeshL0/3sOAFAQ9Af8gt49CuDbf37J0nuQpL9/7dk6ezpXPC9pEwbMMBY57fRQVHsO9J4Jut3aGdELR07kdFi+YFqtJUxm0ax6VZa5cNyZ8tnlzglDzbVuBsxMpMTeUx7ZJgDA5+gNAD4xVivo4S37LRfHqCoP6g3LZxWoKhRW6kYQV0C/3nnQsqy1uVqLZrk1XzxdjXkKmEn3fSo9U6AI0RsAAADOIGAmDcMwLlOiQRjWSKDMsOFwmXZJ60zTfLHgBcIRhmHcpsTveFjENM2N2azLNM12wzA2KhFINOwuSRmllsNJmTc7HtlxQP/y4La0J0Hc/Oo2vf91hsoKGPqBPBmnEVZT4dCEkAxnqkTTPL6yrDDb2qO7Dumfvr9Fvf1ptvtL2/T+K9ju/ay63KlJULk3pirLc9nOMhvzd+zr1i33bUpJoJcSKfSf3bBc9VWchOwYj3wBYcuXUbUjYz5NWQAodvQG/CcUTxNsEKQFWmrqq6y/c3vY4LA/PHdE3/vfDsuyS86Zqg1rWvJWG/Kk0jbhKxYr6MuXBWwBM0H/HVN2nxrU9s7EiVpbOhJXAD/ce3riJ46hoiyopbMTV/9emTxp66wpNQp45BjSa4JpPt+GFNKcpuoCXDHdg6KD1ts+fM+NjV4EAOQD/QG/Sfd5WYL7TMha6hR96zbV0dWnz/36Wcuys6fX6ZbXtOW5MnjehAEzyEUsFteLx05qa7IvsaWzW7v392ggmn0faHp9ZaIvkexPLJ3TqMZqrxxj2kajAlyROmAb7+LxgJrcDJjxWZ8oYPudZv4b9df/BwB4Db0BwP/ikh582jo/4MolM9XAfOGS8ogtYObKJTPd+456jNfNywVkmTtVGlIam3y3DAAAgPQ4QrAxDONOSbdpZLd6OFBmeK86IOke0zRvdaE8OOsO2+3v57i+B2VtBK83DCNsmmYkx/Uiz4aiMd39K1P3/j41GL6+skyf3bBCVy6d6UJlpavQbYzhCRKOBcyk/AvGbzoODKVOdqnIc8BMNBbX5x819bXfpF7Ru66yTP++YbmuXEoieyHFXWhOO7fNp5Hhv6eiQEFG33+6Qx9+eEfK+y4UDOj2Kw2965I2TmYrKPf+rx3Z/tM23tl+AKDI0BvwmZCs+3lxBRRIdxUelLyTp4f0gR9styyrrQjpzmuWcUyAjIVkD5gp7nHn9FBUuw/0jjphK6L2IyezXl8gIJ0zve7Mlb9XtoZlzKxXOaHGkxdLDZiJKqS5TdUuFOMB9v+PEBN/AQA5oz/gK2l69xznwSHxeFwf+fEOnRq0Hgfeec0yVZYV97EgHDBBwAyn9GTmUE9/ojfRGdHWjkTobbqLJ01WfWWZlrc2anlLIuh2ZWtYMxurHKzYYSmfXe5sQc01LgbMTPTde6l/vnOiIAA4jd4A4HM79nVrz8Fey7IN57W6VA3yLs3xQiwe17OHTliWXbHEe+cJ1REwA2As9rGN3gAAAMgSRwhJhmHMU6KRt1rWQBlpJGQmIuldpmn+oND1wVmGYayVNWVckh7NcbXpUsrvkHR7jutFHh3u7dc/fOcZPfViV8p9xox6ffOv1mj+1FoXKisF3vuSvzqfYRvjcCpgJj7J/9OukwN6z3ef0R+fP5py37kz6vSNG9dowbS6jF8fxafGqQa0A42pnEKVJjFpqH8wqk/8dKe++1RHyn1T6yr01etX68K2KdnXgKLjTMCSC5PUaQQDgGPoDfhTSNYTDOKBkAePPlFokb7BlGV3P7JH+yKnLMs+cNUitTTVFKos5FMs9XeeT2UpATPF89VLLBZX+9GTo07YimjXgR4NRrM/9pjdWKUVyat/r2gJa1lLY34mwXlKfk/6CsRTT6AbjIc0t9ljY1ahTuyyB8wU0Xtu2EA0tScMAHAH/QH/CRAOD4eN3qR+tu2Afmsesdx//QVz9Yp5zQWuCp40QcAMxtbbP6jtnd3akuxNbO3o1sGe/qzXVx4KaPGshjO9iRWtYbVNrVUwWEyfB4U/YShge4m4AgrXeDnUtZh+n+nOAcvwd1rqgToAkEf0BgD/Sbfn9OCmTsvtOeFqXcS84ZI2rb5Sq+c2uVhB+n18AmYAjM0bgcQAAKD4cYQgyTCMd0n6ZvKmPVxmeNlmSZebptldyNqQNzenWbY5lxWaptluGIZ98U2iEexZT73Ypb//zmYd6T2dct9bV83Rp966VDUVDJPucOcL8Vqnft/2CQATfMGfLmAmX1c329IR0bvv26T93akTcd60YrbuvGaZan1/wo9XFX67rynPZ6hSZv+eiQNmxl7fRG2xzuN9uvW+zdq+L3U3bs1ZTfr6Das1o8HDVybzNfcmQOUtVMzJSV1MEAOAfKM34EOhuDXkIRYoE6d1lJ5q27HON373gi5bOF0rWsOSEj2h/3riZctjLpjfrBvOn1uoEuG0qkbr7d0/k3oOSA2zCvLyIXvATMC7vZVDPf3a0hE5EyizraNbvadzuPp3VZlWjjpZa0VLo6ZzjO24gD1QRVJUIbV6LWDGLl8nv0VtIVJFMCHS/l3D0RMDevnYSZ01ZYKA+7LK1GV9XVINJzADgIPoD/gOE6qRm7G+nunuG9QnfrrTsmxafaVuv3JhAapCUZggYGayFw3yu4GhmPYc7NHWjoi2dHRra2dELxw5kdMhZNu0Wq0c7k20hrVoVn3e5t0UTMpgVIjPt3jKrebaigK87hj4vnwC7PMAgIPoDfhQgM9K2Dy685Dl9rVrWooshBIZmcTxxLrFM9zdBsaoMS/nchTB96kAJiE1vdadOgAAQNEr+SMEwzAekLReI2e3xmUNmQlIuss0zTsKXFejpM9Iipum+e5CvrbfGYYRVuJ3bmGaZrsDq2+X1DbqdtgwjNWmaebUZMbEMmkCx+Nx/ecfX9Sdv9yjaMz6vIpQUB9942LdcMFcBfiSOr88+P+bt7CBCSYJDUSjKcsmDttINd5kpHg8rvv/slef/OmulKvjlgUD+tAbFumvL57Hdp9vHvv/da4BnXtjKptt/oxx/l9/9+wRvfd7zyjSl3r1+r++eJ4+eNWi3F4bRaksGFBFyIHfO01ZACha9Ab8KyXkgQkSJenaNS16bM/hM7cHhmL66I936Mf/8Cr1D0Z1+w+2WR5fVR7UXdcuZ/JYMVv4Buk3n9aZ49PBk9JT90hrP16Qly/zaMCM01f/rggFtXh2QyJQprVRK1rCmjel2K7+XZzSBcwMKqTWJo8HzORLzNbnCXn5auoJy1sa1VBVpp7+kd/lDzZ16p9el3KCgVX4LKmsShoa9d49sFVa8No8VQoApYX+QAnx2Hd0KE53/nK3jp4YsCz7xJuWqLHa+/ujKJAJxppSDJiJxeJ68djJZF8ioi2d3dq9vydl3komptdXJnsTYa1sDWvpnEafvg+9ccJQk5sBMxMpuc93b2wTAOA39AZKRynuj8PKfhyyYU2LS5WgMCZ+z1+5ZGYB6hhP+hrrCJgBAAAAkGcle4RgGMZKSQ8q0bQbHSgjjYTMRCRdbprmM4WuT9J5SqRhxyURMOOs89Isizi0bnsjWJLWKscUc2RurCZwb/+gbntom36542DKfXPC1fraDau1Mnk1a5SeGscCZjL7An9gKHXijCPBB0mnBqL68MM79IPNnSn3zWio1NeuX63z5nHF21KUv1ClzDm5zUuJiWpf/c3z+sLGZ1Pm1FSXh/SZa5fpzSvnOPqaKB7VFSGHArXs4z1fQgNAEaE34FP2gJlYwDv7vCicq5bN0l9fPE/f/vNLZ5btOdgrSfrCo8/qxaMnLY//l9cZmje1tpAlwmkzlkgrr5e23D+y7MC2sR/vsJSAGRcmZ+Xj6t9nT6/TipawVrY2akVrWAtnNhDSOpbyauvt3kPpH5eldAEzUQXV2lyd5tElwP7/EfT+iYRV5SFdsWSmHtw00qN94cjJcZ6RFCqTppwtHdoxsqw39fsNAEDW6A/4Ubqd4JI7AR25CNi+74lLerL9mL73vx2W5WsXTdfrl7p9IhI8JcAx8+Gefm3piGhrZyLodmtnRL39qce0k1VXWablLYm+RKJHEdbMxioHK/awlM+u/IeJ2C/wFldAzTVuBszw+W3B/gwA5Au9AcCHJpofemFbs1qbS/RCDqUizTYw+hyj+qoyXdg2pZAVpRqjxsIFzHCM4TeF7ySg8PgtAwAAZ5RkwIxhGO+X9JnkzeFwmdEhMwFJD0l6l2ma3YWvUJIUTv4Zcen1/Wx1mmVdDq07kmbZOkl3O7R+5ODZQ7265b5Nak8zafuSc6bqS29fpWYvX3WlhLiVEu9cwIzNBE3qdAEz5aHM/w/StQZePnZSt9y3WbsP9KTcd8H8Zn31+tWaVl+Z8WshHwq/3dc6tc07MFG3siyXWqyv1d03qP/7/S16fM/hlEe2Ta3VN/9qjc6dUZ/D68EpcZcmQDk23tu3fSZ0AUAxoTfgU6G4+yEP8IZrV7dYAmbikrZ0RPStP1gvNriyNay/eeX8whaH/JixxLagcJMo7OFW8TyHW8Xjcb10rC8ZJpP42XWgJ22PabJmNlRpRTJIZmVLWEtbGtVQ5f3QDs+Yvlja/ZOR2wcdDjhKEzAzpJDmem7ia4GOi6O2/49QcXzezw5bA4Hikx2nUvZnmCQGAA6iPwBgQqcHo/rET3daltVWhPTJNy916IIG8I0JAmb8tiff2z+o7Z3d2tIZ0daOiLZ1dutAd3/W6ysPBbR4VsOZMJkVrWG1Ta1VMFiq77PC/7uHYmkCZjw9l65Ut41hfhtVAMA19AaAErR+TavbJSDvxj9eWLtohmcvrlJbsIAZAEXH3o/O5apTAACgpJXcEYJhGA9IWq+RQJnR4TLDe1k3m6b5LXcqPOMVLr++n6X7v404tO50DeV0yeYosB9v2acP/GC7Tg1GU+57z+Xn6L2Xn6NQyU5IKC3xeGp8zdfKv6zfx5Zp2tCVUnxZ7gEBGR6kD0RTT/5xYiLaY7sP6X0PbEl7NaibLm3TbVcYKgt5szEK58TjcfWdHlLtqGW3lP1M++JTNWOwVoqf7YlQjJya9KPq37GvW7fev0kdXadSHnbFkhn69w0rVM8JciXp0tB2fUuf03PxOXo++App6BKpLNeALZqyAFDE6A34VJmsxz+xQMm1PzGGeDyu2x7aqtHnSFSEgvrs+uX0hJCbWEwh+9Wdg84edx7u7de25FW/t3QkTtrqyeHq3/WVZVre2njmZK0VLSV09e98mXqO9fbJo46uPhBP7WtXV1aqsbpEexyxQetth99z+ZJ1C66iznq7Z1/OtQAAzqA/4EvW/fNYPCC+EUUm7G2CLz/+XMqFjP7lCiMlQBCYKGCmmA0MxbTnYE8y7DbRo3jhyImczmFpm1arlcO9idawFs2qz/HCND6T7iAyHs/r/I7BNPOXwjUuHnN7YC5LPmX+/vH3/wcAuIjeAOBD4+051VaEdNWymQWrBS6Z4HjiiiUzClTIeNLXWFeVj4AZjrcBf7CPG5zLAAAAslOKZ1hs0EiwzLDhcJl2SetM03zRjcJs1if/dCoBGyMKnTQedmjdyMLAUEyf+vku/dcTL6fc11hdri++baVeu3C6C5VhPE4d4p4eiuq5Qye0+0CPdh/o1a4D3Tq2/yU9anvcq0Pb9OrQNmnX/dLnZkhtr5UWvDbxZ70TzcPxG5Snc7i69GjD0TnRWFxfePRZffU3z6c8prYipM9uWKGrls1y5DXhnLgDE2MGhmJ6/vAJ7TrQo137e7Rzf7d2HejRx6MHda2tL/yv5d+Wnvi2tGuutOA1ie297TVSTXPmL5zmKtqZTmypzCkFPvFaDz7doQ8/vCPlPRUMSLdfuVA3XdrGVQRdkf//88FoTO1HTmrPwcR4v/tAj1bue1b/1/a4daFNWqdNUv9PpLvulM66ODnmXyZNX5T5BLWUGV9sXwBQROgN+FRQ1n3BeIAJEkgYjMb17KETlmXvXXuOzplR71JFyLu4M/2WCaU5Jo7nMDnr5Okhbd/Xra0dEW3tjGhrR7f2RVJDVCeLq38XSJ5PIgzYA1UkzWyqL4I+R54mM0XtATM+/7pzxhLp5T+O3D6wzb1aAMB/6A/4ka13z/RqZKqptkL7u/vP3N6xr8dy/4qWRv2fi+YVuCoUhQmPDb1+DJcQi8X14rGTid5ER0RbO7u1a39P2osnTdb0+kqtbB0Jul3W0li6oamTVviAmeiQLcBdQdVVeviYu8hOkHS8j8NVygHAKfQGgBLzhuWzVFPh4f1cOGTs/e+q8qAuPXdaAWsZwxjHCHWVeTjWCXEMDgAAAGBEKR8VBzQSLCNJ95qmeYuL9ZxhGMa1ktrEPJd8aSv0CxqG0WaaZnuhX7eUBNK8XfZHTund92/Wlo5Iyn3L5jTq6zesVmtzTQGqQ6b6Apn/Xo6eOJ0MkkmGyezv0QtHTmgoZt02ZmpQGu+CzCcOSdu+l/iRpOlLEmEzC14rzb1YqpigtnhceuFx67KK2nGfMuBQwEy/KtV1ckDv/d4z+sNzqVdJPnt6nb554xqdPb0uzbPhtmhZZtt9T/+gdu/vORMms+tAj547dCL9pK7xesLde6XN/534UUCavXIkcKP1fKmscuJinrkvdVllZttZxUQBM2M00aPxgE6rQnf8cLu++9TelPun1lXoy+9YpYsXTM2oHhTGQCi78X5PMkRm98Ee7TnQq+cPp277Z4eGxt/2B/uk5zcmfiSpbuZIuFjbayYXMPa8LbIsw+1+YsUxyRQAihS9AZ8KxaOW2zG/n3COrC2Z3aCbLi34UIB8qmyw3o6kHiPmRZrgj3hgcpOzBqMxmQd7k0EyiTCZ5w73KsbVv33A4a93YtbPt6F4sLR727b/D99PiGyeb73dH3GlDADwKfoDPmSfOxCn144MNddWjHlfKBjQndcsV4jQTqST5/DRfDnc068to4Jut3ZG1Nuf7iIzk1NXWablLY1nwmRWtoY1s3G8iTpIK+0cifxOJ41Go9KozTimgMvhthO8dqkFzKf8LpheDAAOoTcAlJgN57W6XQJcMqTEMcSl50zzSMhQ6jHPkEKqq8zDd5/pjp9CXvg/QD6RS+pD9t4Av2QAAJClUj4aGA6XOS5pg2maj0/w+IIwDONdkr4pa/gN8i+S5/W3SaIRXEBxSVd/5Y/qOjmQct87zp+rj71xsarKS+xL5iLy57LztWKM+4aiMb107KR27k8EyQyHyhzuPZ2fYg7vTPw88VUpVCnNvTAZOHOZNGOZFLRNEHrhMenwLuuysy8f9yWcCpj5c2yJvvGVP6a9qvXVy2fprmuXq9bLVxYqCek/2iPxWkWalqW9Lx6P62BPv3bus4bJ7O3qy0N9cWn/M4mfP35eKq+R5r0qGTjzWmnawtSmVF+X9Pu7rcvOeqVU3ZTRK1eEspts96fYUn38vh1qP3Iy5b7Vc8P6+g1rmKzmYS+GL9JrxrhvYCim5w+f0J6DPdpzsPdMgNjRE3ka708clLZ+N/EjSTOWJoJmFlwmnXWxVF5tffxgv/TkN63Lzl6Xn9oAAIUSyfP66Q0UQIWsfYB4gGMgpCoLBnT3+uUqz/I4BB41c6n1dle7dPpEHoIgk+JxaeCkdPyl1LvSXD05Ho9rb1df4oSt5MlaO/Z163QOfaGpdYmrf69sTZy0tbwlzNW//SgWVfnJA5ZFUYU0txQDZmKxRLhKT6d1ud8D5Yr0JFUAKGKRPK+f/gDgceOFx7zrkjYtnt0w5v0ocRPsuw/K/XlKvf2D2t7Zra2d3Ymw286IDnT3Z72+8lBAi2c1nOlLrGxtVNvUOgUJYcpduu0p3ycNxa19qpjXp6+6Gn6TudR4mEx/n8X17wWAIhfJ8/rpDQB5Ntau4vyptTrvrMzmN6NIpdkInovNkSRduXRmoatJL02Nu2NztagyD/2DdG+KaQudfx24yt2QWBQG4bMAAMAZPp9xOaHhvah7DMNws47m5J/h5J8BsYeXF4Zh5Dtl/NgYy8N5fl2kYQ+XqSwL6t/espTUaY87EG/Wj8tfr1sl9fQPas+BXu3a350IkznYI/Ngb04n3oylN16t+kBqMItF9LT04u8SPxs/LtVMTYYPvDYRwNE4R/rzV63PmXLOhIEDA1Fn/j3fGXxNSrhMWTCgD161SH/zynk0jDzsvuhazSur0VA0pvajJ7Vrf4927u8+EyhzvC/1aui5GoiHVBGIjv+gwT7puV8nfiSpflYybOayxLZfN0363V1Sf7f1ees+mXE9leXZnSjzxaFr04bL/PXF8/TBqxapoowTcLxqY3SVjtUsUDwe15He09p1IBEksyf55/OHT2go5vwu8bF4vZp0QsHABOs+tCPxYwkYuywx5s9YJm37nnTysPU5F/+j4/UCAJxHb8Df5g9Z5+H1V04Rp/zA7tbXLNCS2Y1ulwGnhc9KXTYwQcBMdEg63SOdOp4Irejvlk4l/0x3235fLPVq3oPxkIYqm3T0xGlt64xoS8fICVuRHI7vaytCWpa8+vfKlrBWtIY1q7GKfk8xGuiT+o5JfUelk8dG/t53TDqZ/HP45+RR6dRxzbN9ZXRM9Wr1YsBMJttjdDDx3us7lggwPtVl+3tX6vL+SMrJbpKk2mmO/ROKAlchAwBH0B/ws7jtFvvMcMbc5hq99/Jz3C4DXjZRwEw8pIUf+aUaq8sVrq5QY3W5GqrLE7drEn+e+bHfri7POCx5YCimPQd7tLUj2Z/ojOiFIydyOqRom1Z7pi+xojWsRbPqVVnmfnCOP6X5/LpzTuJiP1XhxJ/VTVJ1eOTPtMubpMrG1AtopRGUxwJmJuozpAl5Lin0BwAgZ/QGgNKzfk0L36+WjNTf87b4ApUFA7p84QwX6pmczbFz9YpCXVB49urCvA4A5/AZBgAAHFLKATPDe1RNyR8v4Zuf/Am7XYCbDMP4e0nvLsBLee7b27Om1OjrN6zm5KEi8Pmh9XoxEtOr7npcnccnCHyZpLnNNVo0q16LZjVoZeMc6eepj7ni9F16++oZes+8Dqn9t9KLv0+cYDSevqPSjocSP1IiTObYc9bHXPT3E07SOD2Ye8DMtth87YrPsyybXl+pr92wWq+Y15z+SfCE0/Ey/dfQ61T+89365+9vdSRAqaWpWotnNWjJ7EYtnt2gS54ql16yPuZvB9+vW65+pV4Z2C698Lj00p+koQnec70HpK3fSfxIiZCNI7utj1m6Xmo5L+OaKyaaDGcPsZH0WHSVNsfPtSyrLg/pM9cu05tXzsm4BhTWN4bepI6nO/Sdp/amhMJla3ZjlRbOatDCmfW66uQcabv1/mg8oA0DH1NXvF5b/qpSeuE3iZ/uveOv2BIw9rFEwJj9hLb5r5Zmr3Tk3wEAyLuw2wW4zc/9gXOHnrXcPta8StMLXQQ87ZzpdfqHy852uwwUyp+/kth3Hys0ZqDX8ZfcFm/T331nR05hsWXBgBbOqteK5AlbK1vDWjCtTiGu/u1d9kk8Jw5Lj3wwGSJjC40Z7Mv55XbG5qu1uTrn9eTd/q3SLz+QPjxmot7rZFXUS9MXObMuAECpCbtdgJv83Buwn2zNBBw45VNvXarqCs9Nh4GXBMbfPoYUUv9gTP2Dp3Wo53TGq6+tCCXDZyrUWF12JngmXDMSVlMRCmj3gV5t6Yho1/6enC54NL2+8kxfYkVLWMtaGtVYXZ71+pChdCcMDfUn5m30Hsh0ZVJVY2rwzOhAmlPHdXFwp+VZcXn8gj4TvOe8LuN8GE4iA4B8CLtdgNt83R8AbAIB6a2rmFtcOlJ3uLfF5uuiBVPUWOORY9uB1Ausboqdo9p8BMycOJy6bPYq518HQGERPgsAALJUygEzL0i6W1KX24VIGj7zf4Gk9ZLaxBwXv/FKusM0SYvdLqLQ1i6aoc9dt4JJDl6T5kDWjLXoB9FLFVMsq3CZqvKgjJkNWpwMk1mUDBmorxr1u+/elxIw83TsXO3XVPXVz5POv1I6/12JK1jv25QI3mj/jdT5tBSPjl+APVymZqq04u0T1p3xhJ4TR1IWPRB9reX2+fOb9dXrV2l6fVVm60Z+RVNDNH4UfZWOqEnq7s94dWXBgM6ZUa/Fsxq0eHaDlsxObPcp492Dv0t57l9ii/SuqYukcy9NBCENnZb2PpnY3l/4jXRgqybcHTlkS+8IVUprP5bxv0OSKsommJiU5uSrzw9tsNyeP7VW37xxjYyZ9VnVgHxJ3Y6eihnaFDek3swnTkoj4/2imfVaOLP+TKhMuKZi5EG/Tf1O+kexS9Qen524seQN0pK3Jj6PutoT4/0Lv5Fe+sPkAsbsXvnerP4tAICS4pXegOTj/kB13HoseaJ2rkuVwIuCAenu9cu5qnIpeeKrBX/JX0TP1/GBzMJl5k2pSVz5Oxkos2R2g6rK2U6L2qku6cmv5W31j8VW6W+bavK2fscc2p7aP3Lawqu4YjkAoNh4pT/g295A6vcSnIyNzLx8LPV7yWtWzdEl50xzoRoUlQmOTZ6LteS0+pMDUZ0ciGp/FnMLJlJXWablLY1n+hMrW8Oa2ch8E1c1zE7MwYhm9526VTwZvByRjo/9qDLbR+beuNvx7RN8hk9bWJgyHOJ8PgxTjAGgiHmlNyD5uj+AUhZIsy/5qrOnana4CC7gAGcceyFl0fZYm/5xyUwXihnD/mdSFm2Lt6l8oou2OvRamnqO868DIM/sn2/0BgAAQHZKOWDmLtM0/8PtItL4gGEYj0q63O1CfMpLDVk4KGCbpBFTUMGA9P4rFurmS9sU5Oq+3pNmYs1dQ29XbJJXv5nRUKnFyRCZ4Z/5U2snvpJzIHX93xm67Mw6zwiVSXMvSPy89o7EVa1f/MNI+EZXatMxxSv+TiqfuBE9syHDSTl1qRM4fhK9+Mzf33XJfN125cL8NBeRm7LU3/W3om+Y1FPrK8u0aHbDmTCZxbMadM6MusmdGDnvldKLv7csGlC5wqMT2MsqpbZXJ37Wflw6eUx68beJ7f2F30g9nRO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- "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "# sessions you want to plot\n", - "splot = [os.path.basename(s) for s in sessions]\n", - "nsids = len(splot)\n", - "\n", - "# Create figure and 1 subplot for each session\n", - "# Use LaTeX document page size (see RA Plotting Chapter)\n", - "fwidth, fhight = ra.get_plotsize(450, subplots=(2, nsids))\n", - "fig, axarr = plt.subplots(1, nsids, sharex='col', figsize=(8, 1.25))\n", - "\n", - "# Avoid overlapping between Y-axes ticks and sub-figures\n", - "plt.subplots_adjust(wspace=0.65)\n", - "\n", - "\n", - "print(ss)\n", - " \n", - "# Generate the subplots with labels\n", - "j = 'a'\n", - "for i, sid in enumerate(splot):\n", - " #sp = sdir+sid\n", - " #session = ra.Session(sp, 'radical.pilot')\n", - " #pilots = session.filter(etype='pilot', inplace=False)\n", - " #tasks = session.filter(etype='task' , inplace=False)\n", - " pairs = {'Task Scheduling' : [{ru.STATE: 'AGENT_SCHEDULING'},\n", - " {ru.EVENT: 'schedule_ok' } ],\n", - " 'Task Execution' : [{ru.EVENT: 'exec_start' },\n", - " {ru.EVENT: 'exec_stop' } ]}\n", - "# print(ss[sid]['s'].concurrency(event=pairs['Task Scheduling']))\n", - " \n", - " time_series = {pair: ss[sid]['s'].concurrency(event=pairs[pair]) for pair in pairs}\n", - "\n", - " # Change to axarr[i] when using multiple runs\n", - " axarr[i].set_title('%s Tasks - %s Nodes' % (ss[sid]['ntask'],\n", - " int(ss[sid]['nnodes'])))\n", - " axarr[i].set_xlabel('(%s)' % j, labelpad=5)\n", - " \n", - " for name in time_series:\n", - " zero = min([e[0] for e in time_series[name]])\n", - " x = [e[0]-zero for e in time_series[name]]\n", - " y = [e[1] for e in time_series[name]]\n", - " axarr[i].plot(x, y, label=ra.to_latex(name), color=next(colors))\n", - " \n", - " if i == 0:\n", - " axarr[i].set_ylabel('Number of Tasks')\n", - " #axarr[i].set_xlabel('Time (s)')\n", - " \n", - " # update session id and raw identifier letter\n", - " j = chr(ord(j) + 1)\n", - "\n", - "# Add legend\n", - "#fig.legend(legend, [m[0] for m in metrics],\n", - "# loc='upper center', bbox_to_anchor=(0.5, 1.25), ncol=2)\n", - "axarr[i].legend(ncol=2, loc='upper center', bbox_to_anchor=(0.5,1.5))\n", - "\n", - "# Add axes labels\n", - "fig.text(0.5, -0.3, 'Time (s)', ha='center')" - ] - }, - { - "cell_type": "code", - "execution_count": 12, - "metadata": {}, - "outputs": [], - "source": [ - "## Strong Scaling" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "os.environ['RADICAL_PILOT_DBURL'] = 'mongodb://pascuzzi:slriUTnc7NrM8o5t@95.217.193.116/lavinlie'\n", - "\n", - "sids = ['re.session.jlselogin7.ac.vpascuzzi.019034.0012',\n", - " 're.session.jlselogin7.ac.vpascuzzi.019034.0013',\n", - " 're.session.jlselogin7.ac.vpascuzzi.019034.0014',\n", - " 're.session.jlselogin7.ac.vpascuzzi.019034.0015',]\n", - "sdir = 'strong_scaling/'\n", - "sessions = [sdir+s for s in sids]\n", - "\n", - "for sid in sids:\n", - " sp = sdir+sid+'.tgz'\n", - " tar = tarfile.open(sp, mode='r:gz')\n", - " tar.extractall(path=sdir)\n", - " tar.close()\n", - "\n", - "ss = {}\n", - "for sid in sids:\n", - " sp = sdir+sid\n", - " ss[sid] = {'s': ra.Session(sp, 'radical.pilot')}\n", - " ss[sid].update({'p': ss[sid]['s'].filter(etype='pilot', inplace=False),\n", - " 't': ss[sid]['s'].filter(etype='task' , inplace=False)})\n", - "\n", - "for sid in sids:\n", - " ss[sid].update({'cores_node': ss[sid]['s'].get(etype='pilot')[0].cfg['resource_details']['rm_info']['cores_per_node'],\n", - " 'pid' : ss[sid]['p'].list('uid'),\n", - " 'ntask' : len(ss[sid]['t'].get())\n", - " })\n", - "\n", - " ss[sid].update({'ncores' : ss[sid]['p'].get(uid=ss[sid]['pid'])[0].description['cores'],\n", - " 'ngpus' : ss[sid]['p'].get(uid=ss[sid]['pid'])[0].description['gpus']\n", - " })\n", - "\n", - " ss[sid].update({'nnodes' : int(ss[sid]['ncores']/ss[sid]['cores_node'])})" - ] - }, - { - "cell_type": "code", - "execution_count": 16, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "{'re.session.jlselogin7.ac.vpascuzzi.019034.0012': {'s': , 'p': , 't': , 'cores_node': 8, 'pid': ['pilot.0000'], 'ntask': 448, 'ncores': 16, 'ngpus': 0, 'nnodes': 2}, 're.session.jlselogin7.ac.vpascuzzi.019034.0013': {'s': , 'p': , 't': , 'cores_node': 8, 'pid': ['pilot.0000'], 'ntask': 832, 'ncores': 32, 'ngpus': 0, 'nnodes': 4}, 're.session.jlselogin7.ac.vpascuzzi.019034.0014': {'s': , 'p': , 't': , 'cores_node': 8, 'pid': ['pilot.0000'], 'ntask': 1600, 'ncores': 64, 'ngpus': 0, 'nnodes': 8}, 're.session.jlselogin7.ac.vpascuzzi.019034.0015': {'s': , 'p': , 't': , 'cores_node': 8, 'pid': ['pilot.0000'], 'ntask': 3136, 'ncores': 128, 'ngpus': 0, 'nnodes': 16}}\n" - ] - }, - { - "data": { - "text/plain": [ - "Text(0.5, -0.3, 'Time (s)')" - ] - }, - "execution_count": 16, - "metadata": {}, - "output_type": "execute_result" - }, - { - "data": { - "image/png": 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Bkxitp86wi+uYpZROD6EsOzYrj9VA21+ZOBI2NsW+EBsRRwKwCyO5DzY6I9svg8e7OzYrj9WAZViJuA4O1tTr0Y2IMWH8JJMCPCOldB71qCH3Oee2UXaPoSw3zVGaNtQc1fNu4Ibu/H85lJs4VXl8MWQh4EBtU3f93rH85RbrHETO+S4iPnQ8/X7AzjgAMAaDxjtlZMmXOeevcs6vynl7XX/vWL5twtSU2lLiQDhSY7q2t0/iQADoR1fiZGw5C+cGFhOVIvrrDNsWJy1LrhpTWXZJHAnHYWp9ITYmjgRgF0Z+H2wwY9gvI4p3d0lcB+zMkdSjGxNjwrhJJgVYotw0uCp/ni177cTKsnhBYRYRv5XOd2srZW++96rrtXsyD7YP5SLBvBP2Qc2GCHv065LntgnMq47lB3nBroxs2LU/bvZZFgAY2BTjna4ZRNtGwVx0LG0pcSAcoTFd2xuCOBAAevFDy7Kqp1k419HWuaprEJ91VS3L3ix5/ZjKskviSJimKV4b7I04EoCR2uY+2JRtu1/GEu/ukrgO2KVjqEe3IsaE8fq3oQsAMHLzhsqHDUd/6tM+y3IT7aP8XqWULiLibM3GbrPBd5dzvt6qdNv7NSIu4nAuElxGfWGjs7zlJtVF1BcS5j+zqG+6/x51Y/xfEfFxV4FKSul11Df0T8v2X5QyRCnHrxHxqVmG8p6biPgx59w1As3BsA+GkXO+SyndxdMOLHc5521GIZx1LO+rU8wQvo2I/4in/9tJSukm5zzKztVlFK/XEfFdPK3j7svPp4j4eZ+jPZfv71k8rnujUaabfZdpoVzfRL2fTuLhfDDfV72cD9R7wIGaVLxTRmtsu6F4vcr/cURtKXHgDmgL2AcHYEzX9oYiDuy3XOJA9R5wfNrixyFmv2mbcabqad1tcVrb7KNzYyrLLokjd0Bbwj4YgUldG9wRcWS/5RJHqveALWx7H2yqetovY4l3d0lctwPO7fYBXxxDPdoHMWa/5RJjqoN7IZkUoENK6V3UJ5m7MjLG0ZQl53ydUnof7Z1/T6MemfM6Ii6fa2yklK7ioVNyFSOYBaJ0HjyYDoQ5549dz5URUi/iacfvqvzM4qFR9jYi3qeUbiPi/ZYdw5tleBf1CDuzxuL7eJjhaN5Ie11+3pfj57d4GAntZR9lWUUp71xVHts6J8zLfftch9ND2wcT9W3U+/If5e+fo77Ato2uUd5+23K9g8k5Vyml76N9VKe3KaW3y+qcfSsXv99H+4WXKurv1Wn5eRv1jf67qM9PO7kwUy4S/BAR7zpeUsVDkP66lOljRHy/ywD9mXJV8fh8MK+H7kq51j4nqveAQzbBeKdtdOH7nPPFGuuYfFtKHCgObPxZlUdx4MSN6drekMSBvZRpFuJA9R5wzNpm4RyiE+q+ZwOdLXn9mMqyM+JIcWTjz6o8iiMnYILXBnsnjuylTLMQR6r3gL70cR9sivrYL2OJd3dGXCeua/xZlUdxHX2afD3aBzFmL2WahRhTHdwzyaQALRoNgYiBL/gPWJauhtvceUT8I6V02TW6ZkrpJuqGUkTdKPj2mEcE61NpgP0SD8HIfUR8jIh/LjawyjF0EfVnFlEaSds2FFvKsPTiQ3n9P6LulH6+8PSLTcqwocWG5HMuo+Oi0gHvg8kpx/FF+dla+ay6EiAOevSonPPHEiAtHoMRETcppZdD19Vl/7+Px2W8i4irWBg1qTEC1EV5PI2IT+WC6EWf/0sJRhcvyN9FxI9RX1Bslms+EuB51OfCtymls9jB8VMuGC92fPgY9f76dV6uUqa38VAPnkbE55TS9ao3FNR7wIRMIt5JKb2Npxew7yPi1Trr0ZY6DOLArYgDj8yYru2NgThwq3KJA9V7wBFL9Wjlbf6z5bUnUdd9r+Oh00oVD51ZbrbsTNQVY+1MSumk47w6prKwhDhyK+LIaZvEtcFdEkduVS5xpHoP6Elf98Gmpo/9MrJ4lyXEdVsR17Ez6tH1iDG3KpcYUx28E5JJAdrNbxxcDt04iYHK8kzDbW4W9egVF9EYJaIEpT/Fw0n7LuqbJ9XuSnx0mo2iy7xkyvXyuVykemTUX+Kh4fY2Ik5TSq82/Gw+x0OHgbPnRoYp27iOiOuFm2v7drvitquoA7Vlo58c6j7geV3BfrXJiDhjk3O+KBc02jr93MSAF95L8Pg5HuqqKupzTOv3q3yvPkbEx3L+uYmHkYx+Sym92fZiSwkub+LxcVFF/b1vXXc5Z19GxGWpf8/LOjrr6w3LNl93s1zfth2npUwfyvm9+f+cp5Re5JxX6WSv3gMmYQrxTjmXL3Z6G0vsNem21IDEgZsTBx6fMV3bGwVx4NplmoU4cE69BxyzNx3Lv7QvOjoZVfF0lPrzlFIVET8ua8uvqeppPV1OYvXZFKodliNivbLwQBy5OXHkhE3h2uA+iCPXLtMsxJFz6j1gayO/DzaYHvfL2ONdHojrNieuY5fUo2sSY65dplmIMefUwTvwl6ELADA2KaX3UZ9w7oZulA1dljLiwypTx89HibgqDYTP8RDAXuecNw1CaVFGFzttLPphySg3X5RG2qt4fEN/3gBetwxX8dAwu3yuYdZSlrNYHnzvTNn2su/Th4h4mXP+Oufc2aA/5H3ASr7rWN46+vCB6rqgcVrOP3tX6rLf4nFQ/rdVv18557uc88t4/N36VEZB2rRMs6jryWY9e1/KtVLAX86n81GU3m1alpay3cTToPzVc0k6Oecq5/wmHu+nt6VeW7Y99R4wKYca76SUZuVc/WnhqY8jir2OoS21V+LA7YgDj8vQ19NGThy4WplmIQ6cb0+9Bxy7047lVcSXTkb/EXXdfBd1R5avSrvy65zzV1Gff+fnj1lEvE8p/VE6Ga2kbGeXnsyYUMwWF4ypLCwnjtyOOHL6DvXa4ADEkauVaRbiyPn21HvAVg7kPtje7WC/jCLeZTlx3XbEdeyYenQzYszVyjQLMeZ8e+rgHZFMCtBQGmDzE+YqIx1MvizlJLrSNOJRNw7mDYTbqAOtVd/L6hb36SyejjjWqozw8f3C4pPnGmNNpZHabAhu2iH8csP39aGtM8KHiPg65/zsrCUT2Qd0KIF820g0VUT8uN/S7E45zrvq6HerXHzsU9nvixe9N70R8G08HqX+aov/pzmqUUR9HLxZt1w55+vo8TtfLp4sHqffPld/LVhsX5x3XYxS7wFTNeZ4J6V0klJ6m1I6Tym9Kx3WPkfEH/H4Qu9t1OfMQWPYuWNpSw1AHLg9ceARGMv1tLESB65MHBjqPYDiRcfy3xdGq78onXefdGTJOd+WTjLNOngWdWLSqh2KZiuXePdmQxeAlYkjtyeOnLgxXxscC3HkysSRod4D1nOo98F2bY/7ZSzxLsuJ67YnrmNX1KMbEGOuTIwZ6uBdk0wK8Ng80LpY88S2C6MpS2lMfB0PI6CsoquhzPbaRn2erdroLEHJ4jF1Xhpdq/jHwvqqFd+3WI7blnLsyw+N3++ivtl3ucb/MoV9QLeuEY7WOUYOQqnfu+r2mzXqhT4sBuUfNj3/lc9pMQD8tO6o+SmlT/G0zj3bolwfoodRjkp9vzha1MfnRndqKc99PA2wf+p4uXoPmKwxxjvlnPVb1HHhVdTtk/N4Orrlx6hjxjGNonc0bak9EwduTxx4HEZzPW2sxIHLiQMfUe8BLE+cvCnPn5Xz61KlTb448v7VyDuGjele35jKcijEkdsTRx6BMV4bHBtx5HLiyEfUe8BKDvw+2M7seb/Mljx3DPHuoRDXbU9cx67MljynHl1CjLmcGPMRdfAOSSYFKBrTYN+u0ng7lrLM5YfpxT+s+JbTiPhtqGnnJ67qWP77Gutom+Z91cDjVfOPLRvue7/YV0Zrm5U/r8uoP+s2Eg96H9CtBDxtM2ldj6U+3oGzaK9XZrHiaHbbapz3mraauazjgujK/09K6W1ELF58vSuB5Tb6mJGt7f/YdPSkxREHTztGelLvAZM2tnintE8/RH0BtfnzMR7Xo29LOX4bw42EI21L7UvVsVwcuAJx4HEY4/W0ERMHtpdJHPiYeg+gvdNmRD16/mnUnYva2tmtyjllsZ2yygj1Y0paGlNZWK7qWC6OXIE48riM7drgSIkj28skjnxMvQes5FDvg+3anvfLWOJdlqs6lovrViCuY8fUo9sRY7aXSYz5mDp4hySTAsSXDq/nUTdMFqfPPtqyNKWUTlNKN/F0VInnvCsXLqbaoB3CYiMqIuJ+zdE9/tWy7O8rvnexo8A2N8nayrETKaWTlNJv8TBa21nO+WLD1R3kPmAlbd+v2y2OldEro/V0nW9e7/qCfBl5aXEbH3uauawt6GxLcGnTNtpRH0F1tc2by+cxW1h8v8XIU3fx9AJG2/Gu3gMmbYzxThkR9WLh5yzn/Crq2RIu4uG8chL1jYQ/1jjX7cLRtaX2SBy4AXHg8Rjr9bSxEgd2Egc+pt4D6HYedV28SWeZtvds2kFqnc6jm5it8doxlYWaOHID4sjjNMZrg2MjjuwkjnxMvQes7EDvg+3cCPbLWOJdauK6DYjrGJh6dAVizE5izMfUwTskmRQ4emWUgnlj6/ueGgIHX5amMvrG53iYYeZj1Bcnvo72kYsWnUQ9VXtbcMuayuwal/HQkLqNiDdrrqatAdc1Us5z7z3fYtTV+dTxnzZ8/0rKDbzfov4fq4h4tc6oPy0Obh/wvHKTePF7cF9GIp60MnJR12jLVyV43pW2705f34e2EZme/a52BL+xZb3Rl7byb1uuxYvMbZ0e1HvAZB1ivFNmS7iOiL/F43p8FhE3pV2zV8fcltoHceD6xIHHY6zX08ZOHPiYOFAcCLBohVHON6oTS1tlsR6fbVjHjmmW0DGVhRBHbkIceZwO8drgUMSRj4kjxZHA7ozxPtgY9LVfDiTeJcR1mxDXsQ/q0X6IMR8TY4ox900yKUA9isMs6hElhj7hjqks8xE4f4uH0Tfuow6uzsrFiSrnfBZ1gLrK6BLnKaXPuyrvMck5f8g5v8w5f5VzfrPB6B5Vy7JVG95to3NsNOpqzvmu/B/X67xvHSmld/HQ+LuLiL+tOTpXm4PaBzyvBGKLo//cRcSrAYoziDIaVtd3Y5cBVNuoS20B9do6vusnKaXTluVNbaMc9VKmbZRyz1qe2vbzWazT2s4H6j1gcqYQ75SbCd/G0/K9TSnt7QKottR+iANXJw48OqO6nnZIxIGPiAOff02Eeg84IisMUPHzFqtvq8ffLemItutZP7tULcvGVBaeIY5cnTjy+Ezh2uAQxJGPiCOff02Eeg/Ywljug43NtvtlZPEuzxDXrU5cx76oR/sjxnxEjPn8ayLUwb35t6ELADCkMm3426gDpu+V5UE5yTZP9HcR8W1bI7iMDvKyBGPPjfhwmlL6ZHaaw5Vz/phSquJp43A+6mpE3YC9i3qUp197CMo3UkZcmzf6r3PObY3ttR3SPuB5pb5bHC34Lud8jMkPZ1Efs4tOUkpXfX2H5sq574kNLnwuU8XT7+p30XERolx4aQvcx/Ad7gqAt91fT96fUjppfg7qPWBqphTv5JyrlNJFPL1Q+zqldFM6ve2MttRxOKS2gDjwuIztetqBEgeKAyNCHAiwprsVOo0t82vH8n9EhM4sTMIhtSXEkcdnStcGByKOFEdGhDgS2I+h74ON1Q73i3iXLw7p3C6uY0TUo+sTY4oxI0KMuW+SSYGjVU68P5U/z7ZsvE2mLBHtN09W6Qicc/6QUrqOiJvobjxE1Bctzo3usHsppZOoG02ziHgRES/L76uOLtXl+6g/5y6vo3EMNBpsn6KeKaTPRvcT5f/+FI//z75Hgh31PmA1jWOl6fYIbvK2yjnfp5TOov3YPi83wPuc6ee7HtfV5fd4Gky+jYjLjtd3nb/aLljsW+tx2UN9UrUsm7UsU+8BkzDFeCfnfJtSuounF5ff7rIs2lLjJA4UBx6LsV1PO1TiwIgQB87NWpap9wDadXXqWlVX/fgm2juFVVtub1Nts5BW+y5EMdSMqEdBHCmOPCZTvDa4b+LIiBBHzs1alqn3gN4NdR9s7Ha0X/Yd79ITcZ24jtFQj65JjBkRYsy5WcsydfCOSCYFjtlN1Ced6zKapLLEl+CqedK9X2dGmdJx7025CTP/v9q8j4k2bIdU9vubqBtGbaOU9KKM9vEhIt6t8bZ5g+19Suk2It7v4nhfcuxdpZR6G3VkzPtgVaXj7Tc9re7+0Brd5f9fvHj0IefcFbAdhXJsX0fEecvTP6WUbnvspN12wbKvda+73eeeG0NnpdaypZT+3MfGp1DvAUw83vkx2i+g7qQs2lLjIQ4UB65jYnHgaK6nHTpxoDiwyxTqPYAt3Ud7XbyrTjyto+JH9zlp1tN2/9qxvGpZNqaysCFxpDhyHVOKIyd+bXCvxJHiyC5TqPeA0drrfbADsul+GUu8y4bEdeK6dUwprhsR9WiPxJhizC5TqIPHSjIpcJRSSudRnyTu+57+/JDLUlzF4+DqbJOVlJPu1yml99F+Ap8d88hgfSo3vS4j4h/xNDCuoh7p5lPU07j/Hg9BzFYjMOWcL1NK/4p6FpDF7T7nddSjsl73edynlN5FfTGsy01K6VVfQcUY98Ga2maS2tSH6B41Z3QayQ+zxuKznkcwOlg554tywW0xEJxFxC8RsfKN9WdsO/rdKqq2hSmlWUdd8HKd9ezZi47lfQe6VdcF1QnUewBTjne6zgezlNK7nPOHvjakLTU8ceADceDaJhEHjvB62sETB66+nj0TBwIMq1pz+UpyzlUZIf2JtvPVstfv2JOOgWMqC+sRRz4QR65tEnFkMeVrg3snjlx9PXsmjgSmam/3wQ7MpvulWnP5StaNd1mPuO6BuG5tU4rrxqJac/lKjrkeFWOuvp49E2NOlGRS4OiUgOqq/LnRzYEpliUiIqV0Go+nSv+47eg85QT+KdoDkYs47pHBtlI6cP8U7SPOfIyIq66RNFJKVR9lKCN+3EbED7HeqB9z5ymlb9YZ8XWJn+JhlK3rqAPWz/G44T8fbfZND9uLiNHtA1bQSH6YHxv3EfHGiFlPnEX7xcTTlNL7nmYdm/Wwjud0jc70ItqD7a7gdwyjPM1allU5597qtFWo94BDNfV4p9xUqKL9fPFd1Dd1tqYtNSxx4BPiwCM0tutpEyMOXG09+zRrWSYOBNif+2if3WOX54iu81UVT88LXeewdS2ud67r/xxTWXiGOPIJceSRmvq1wQGJI1dbzz7NWpaJI4GDt6/7YIdmi/0ypniXZ4jrnhDXMQbq0d0QY662nn2atSwTY06AZFLgGN2Ux48RUZUOaH067RoVpKVz7ZjKElHf0Gi6annN2nLOtymlV/G0gdfWkGYFKaW30T7Cxm1EXOyzI3cZJeUyIi7LqDBvov5sv2kpX5vTlNKnHhqW8+PpYj7Ka0rpTTydMel13yPSjWgf8Ixyce2XeLh4dBcR3055xKZN5ZzvUkqX0T6K27uU0j+3vcneYdbz+tbtxLQskB9aFfu5mPEs9R5woI4h3um6YdFLWbSlhiUObF9PeRQHHpexXU+bDHHg1uvZhSrEgQBD+le0d9Tc5Tli1rG8Ld7reu26Wv+fJbHemMrCEuLI9vWUR3Hk8TmGa4N7J47cej27UIU4Epiund4HO2Cb7JcxxbssIa5rX095FNcxJPXoDogxt17PLlQxkmNPHdwvyaTAMZoHEm+jvSG3rZuuJ1JKrxYaMWMqS0R9Mv2ia7SiTZQG3odYGA1iyZTtdEgpnUf7za0vwfFQyjHz5bgpnc3nDbbX8Xj0p6bXKaW3OeePW2y+iroj+5fjOud8n1I6i6ejwb5PKd31eYw3tjnkPmCJRvLDvO69FRQsl3P+UC62vW55+peU0t+23MR9dH8n+jJrW7jkYupvuyvK1nbZSWtj6j3ggIwq3ik3/n6Ium6/j4j3PbTnO0clTCmdbHMzUVtqWOLATlWIA4/R2K6nTYo4cHTEgQDDGuK8X3Usv42n54Rdzga6rN08prLQQRzZqQpx5LEa1bXBKRFHjo44EhiFQ7sPti8j2i9jinfpIK7rVIW4juGpR3dEjDk6YsyJkkwKQFPzxNl7QzfnfJlSWpxa/GQX25qqMpJG2wWCszE2bMrNsY/lJ1JKp1GP+nre8vL389dt6G9tN+PKaLBtI9XcpJRa39OnPe+Ddct2FxFf7Wt7Q2pJfrjOOS+OQPzcOt5G/dl96nPEsgNwFhH/EU8DwFnUI999v8W6WwPznm+ut3ViWrburudm2xakB62jSY6tM8KY6z3g6I0m3intipuF112VOn2bdka15LnZpivVlhqWOHApceD6ZTuaOJCtiANrs20L0gNxIMCASruy7amXO9xmV4eiT7GQpBT9navaOtYsi5vHVBZaiCOXEkeuX7apxJGjuTY4UeLI2mzbgvRAHAkM7tDug+3LmPbLyOJdWojrlhLXrV+2qcR1o6Ee3TkxZm22bUF6IMacqL8MXQCAfcs5f9XHT9QjF7R5ueR9d2MtSzFr/N45YtWWFk++1Y62M1Vts2Nc7/MCQUrpXUrpj9LQWkvO+a50On8ZdQOz6aR0Ut/IskZpueC2OLrULOoO8Wsb6z5gqWbyw+W6yQ9F12hHk1a+W2cdT7+N9mBrVV030PsaxT6iPaD+dcnru0ai2/VoVKtYHD1vbudlU+8BEzFr/D50vLN4A+u55auaLXmu2mK92lLDEgd2r7ta8pw4cKJGeD1tcsSBX4gD1XsAEe3nrtk2K9ywHmw9l6WU+jgntK3jXwdSFtqJI7vXXS15Thw5bbPG70NfG5wcceQX4kj1HlA7tPtg+zK2/TKWeJd24rrudVdLnhPXsU/q0R0RY34hxlQH74xkUgC69Nkoanp0Qj6ykVK2klI6j/YG5uUOt3mSUnpftj3391KOTTqQR8SXz72t0+YuG5dn8bRBeJpS2uSC3KHug6OUUvocD8kPZ3nz0fy+KY9H0Xm4Ked8GxFd+22bi9r/7Fjey/dgScDXdsE1Ir58N9vOTX/vo0xb+rlj+T4Sc9R7wNQMHe901n1bdr7t/L82jb20pYYlDtyaOBA2JA6MCHGgeg+g1jYLyK7qsc54qXSgajtfbVWWrnPnss6pYyoLT4kjtyaOPA5DXxucJHFkRIgj1XvA3MHcB9uzse2XUcS7PCWu25q4jn1Rj+6QGDMixJjq4B2STApAU7MhsquT5KxjezyvrTH0cdlIS0vMVnzdSUS869j2PzbY7helgbbY0P+m7bV9WDJSzbuU0tsNV3tQ++AYLSQ/vNmy08l8PUdZd+WcL6PnixJlVp+2/bn2SEIdugLWrgB3ru046Sv4nW36xlKPtX0GvV00SCmdp5RullzUUO8Bh+wg4p0tb3Z3/V8bncO1pUZBHLjd9qoQB8LGxIHiwEK9Bxy7tnPItvVYV+zW1gHtuee3PYe2/S/XK7xvTGXhMXHkdturQhw5VQdxbfDQiSPFkYV6D+g0pvtgYzLQfhlTvMtj4rrttleFuI79UI/umBhTjFmog3dAMikATc1p0mcppV2MGtE8+R5l43YLbQ3Vf224rj5ukM02mTp+waeFv3/fcn1LlSCg7YLHzYYjvB3cPjgmjeSHKiJelpGKNl3Xl/pwpKMZvlh43JW2C23bahsl6rue1t02otD1ChdXf2xZNttyJMi+fN+y7O2SQHpd7yPibXSfJ9R7wCEbU7zT1Z7YOFmznKdmHU+vHXsdWVtqzMSBWxIHMmHiwHbiwPWJAwGWKOeQxYTGbc8RrR1Vcs7PJU62Pd927ltH27l+lRhyTGXhMXHklsSRkzWma4NDEUe2E0euTxwJPGf098EGMqr9MrJ4l8fEdVsS17EP6lExZgcx5vrEmAOQTApA0+IFhI2nBW9TGjTNk/kYG7eHptrwfdve0J/b9hhZbIztvGN5CaraOsIvNhRXdXD74BiklD5FXd/cR8TfekhamH/OBz+a4TbKfuw1OC/fycX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- "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "# sessions you want to plot\n", - "splot = [os.path.basename(s) for s in sessions]\n", - "nsids = len(splot)\n", - "\n", - "# Create figure and 1 subplot for each session\n", - "# Use LaTeX document page size (see RA Plotting Chapter)\n", - "fwidth, fhight = ra.get_plotsize(516, subplots=(2, nsids))\n", - "fig, axarr = plt.subplots(1, nsids, sharex='col', figsize=(fwidth, fhight))\n", - "\n", - "# Avoid overlapping between Y-axes ticks and sub-figures\n", - "plt.subplots_adjust(wspace=0.45)\n", - "\n", - "\n", - "print(ss)\n", - " \n", - "# Generate the subplots with labels\n", - "j = 'a'\n", - "for i, sid in enumerate(splot):\n", - " #sp = sdir+sid\n", - " #session = ra.Session(sp, 'radical.pilot')\n", - " #pilots = session.filter(etype='pilot', inplace=False)\n", - " #tasks = session.filter(etype='task' , inplace=False)\n", - " pairs = {'Task Scheduling' : [{ru.STATE: 'AGENT_SCHEDULING'},\n", - " {ru.EVENT: 'schedule_ok' } ],\n", - " 'Task Execution' : [{ru.EVENT: 'exec_start' },\n", - " {ru.EVENT: 'exec_stop' } ]}\n", - "# print(ss[sid]['s'].concurrency(event=pairs['Task Scheduling']))\n", - " \n", - " time_series = {pair: ss[sid]['s'].concurrency(event=pairs[pair]) for pair in pairs}\n", - "\n", - " axarr[i].set_title('%s Tasks - %s Nodes' % (ss[sid]['ntask'],\n", - " int(ss[sid]['nnodes'])))\n", - " axarr[i].set_xlabel('(%s)' % j, labelpad=10)\n", - " \n", - " for name in time_series:\n", - " zero = min([e[0] for e in time_series[name]])\n", - " x = [e[0]-zero for e in time_series[name]]\n", - " y = [e[1] for e in time_series[name]]\n", - " axarr[i].plot(x, y, label=ra.to_latex(name), color=next(colors))\n", - " \n", - " if i == 0:\n", - " axarr[i].set_ylabel('Number of Tasks')\n", - " #axarr[i].set_xlabel('Time (s)')\n", - " \n", - " # update session id and raw identifier letter\n", - " j = chr(ord(j) + 1)\n", - "\n", - "# Add legend\n", - "#fig.legend(legend, [m[0] for m in metrics],\n", - "# loc='upper center', bbox_to_anchor=(0.5, 1.25), ncol=2)\n", - "axarr[1].legend(ncol=2, loc='upper center', bbox_to_anchor=(0.5,1.4))\n", - "\n", - "# Add axes labels\n", - "fig.text(0.5, -0.3, 'Time (s)', ha='center')" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3 (ipykernel)", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.8.12" - } - }, - "nbformat": 4, - "nbformat_minor": 4 -} diff --git a/JSSPP/ddmd-resuse-async.pdf b/JSSPP/ddmd-resuse-async.pdf deleted file mode 100644 index 54ad937..0000000 Binary files a/JSSPP/ddmd-resuse-async.pdf and /dev/null differ diff --git a/JSSPP/ddmd-resuse-seq.pdf b/JSSPP/ddmd-resuse-seq.pdf deleted file mode 100644 index 399db2d..0000000 Binary files a/JSSPP/ddmd-resuse-seq.pdf and /dev/null differ diff --git a/JSSPP/ddmd.py b/JSSPP/ddmd.py deleted file mode 100644 index 6291f10..0000000 --- a/JSSPP/ddmd.py +++ /dev/null @@ -1,115 +0,0 @@ -import numpy as np -from typing import List -from radical.entk import Pipeline, Stage, Task - - -def generate_task(cfg, name, ttx) -> Task: - task = Task() - # task.name = name - task.executable = cfg.executable - task.arguments = ['--cpu', '1', '--timeout', '%s' % ttx] - task.pre_exec = cfg.pre_exec.copy() - task.cpu_reqs = cfg.cpu_reqs.dict().copy() - task.gpu_reqs = cfg.gpu_reqs.dict().copy() - return task - - -def generate_ttx(nsamples, mu=20, stddev=10): - normal = np.random.normal(mu, stddev, nsamples) - return normal - -# We will want to have a distribution of run-times - -class AsyncPipelineManager: - - def __init__(self, cfg): - self.cfg = cfg - - - def generate_mlana_stage(self) -> Stage: - cfg = self.cfg.machine_learning_stage - stage = Stage() - stage.name = "MLAna" - - # Generate normally-distributed pseudo-randoms - normal_rands = generate_ttx(cfg.num_tasks, 28.2, 0.5) - - for t in range(0, cfg.num_tasks): - stage.add_tasks(generate_task(cfg, "MLAna", normal_rands[t])) - - return stage - - - def generate_agent_stage(self) -> Stage: - cfg = self.cfg.agent_stage - stage = Stage() - stage.name = "Agent" - - normal_rands = generate_ttx(cfg.num_tasks, 11.1, 0.25) - - for t in range(0, cfg.num_tasks): - task = generate_task(cfg, "Agent", normal_rands[t]) - stage.add_tasks(task) - - return stage - - - def sim_pipeline_full(self) -> List[Pipeline]: - cfg = self.cfg.molecular_dynamics_stage - pipelines = [] - - for p in range(0, self.cfg.num_nodes): - self.pipeline = Pipeline() - stage = Stage() - stage.name = "Simulation" - - # Generate normally-distributed pseudo-randoms - normal_rands = generate_ttx(cfg.num_tasks, 59.1, 2.0) - - for t in range(0, cfg.num_tasks): - task = generate_task(cfg, - "Sim", normal_rands[t]) - stage.add_tasks(task) - - self.pipeline.add_stages(stage) - pipelines.append(self.pipeline) - - return pipelines - - def sim_pipeline_part(self) -> List[Pipeline]: - cfg = self.cfg.molecular_dynamics_stage - pipelines = [] - num_models = 1 - - # Use all nodes except the number used by ML+ana - for p in range(0, self.cfg.num_nodes - num_models): - self.pipeline = Pipeline() - stage = Stage() - stage.name = "Simulation" - - # Generate normally-distributed pseudo-randoms - normal_rands = generate_ttx(cfg.num_tasks, 59.1, 2.0) - - for t in range(0, cfg.num_tasks): - task = generate_task(cfg, - "Sim", normal_rands[t]) - stage.add_tasks(task) - - self.pipeline.add_stages(stage) - pipelines.append(self.pipeline) - - return pipelines - - def mlana_pipeline(self) -> List[Pipeline]: - pipelines = [] - num_models = 1 - - for _ in range(num_models): - self.pipeline = Pipeline() - ml_stage = self.generate_mlana_stage() - self.pipeline.add_stages(ml_stage) - ana_stage = self.generate_agent_stage() - self.pipeline.add_stages(ana_stage) - pipelines.append(self.pipeline) - return pipelines - diff --git a/JSSPP/ddmd_async.py b/JSSPP/ddmd_async.py deleted file mode 100644 index 1a0824c..0000000 --- a/JSSPP/ddmd_async.py +++ /dev/null @@ -1,183 +0,0 @@ -import numpy as np -from typing import List -from radical.entk import Pipeline, Stage, Task - -SUMMIT_CORES = 42 -SUMMIT_GPU = 6 -SF_SIM_TX = 1/40 -SF_TX = 1/20 -SF_TX_AGENT = 1/6 -SF_NTASKS = 1/10 -TX_SIM = 1360*SF_SIM_TX # [s] -TX_PREPROC = 340*SF_TX # [s] -TX_ML = 250*SF_TX # [s] -TX_AGENT = 150*SF_TX_AGENT # [s] - -NUM_SIM_TASKS = 960*SF_NTASKS # GPU tasks -NUM_PREPROC_TASKS = 420*SF_NTASKS # CPU tasks -NUM_ML_TASKS = 1 # GPU task -NUM_AGENT_TASKS_CPU = 6720 * SF_NTASKS # CPU task -NUM_AGENT_TASKS_GPU = 960 * SF_NTASKS # GPU task - -def generate_task(cfg, name, ttx) -> Task: - task = Task() - task.name = name - task.executable = cfg.executable - task.arguments = ['%s' % ttx] - task.pre_exec = cfg.pre_exec.copy() - task.cpu_reqs = cfg.cpu_reqs.dict().copy() - task.gpu_reqs = cfg.gpu_reqs.dict().copy() - return task - - -def generate_ttx(nsamples, mu=20, stddev=10): - normal = np.random.normal(mu, stddev, nsamples) - return normal - -# We will want to have a distribution of run-times - -class AsyncPipelineManager: - - def __init__(self, cfg): - self.cfg = cfg - - - def generate_sim_pipeline(self) -> List[Pipeline]: - pipeline = Pipeline() - pipeline.add_stages(self.generate_sim_stage()) - return pipeline - - - def generate_sim_stage(self) -> List[Pipeline]: - cfg = self.cfg.molecular_dynamics_stage - stage = Stage() - stage.name = "Simulation" - - # Generate normally-distributed pseudo-randoms for this - # pipeline - normal_rands = generate_ttx(cfg.num_tasks, - TX_SIM, 0.25) - - # Number of simulation tasks per pipeline - for t in range(0, cfg.num_tasks): - tname = "Sim-" + t - task = generate_task(cfg, tname, normal_rands[t]) - stage.add_tasks(task) - - return stage - - - def generate_preproc_stage(self) -> Stage: - cfg = self.cfg.machine_learning_stage - stage = Stage() - stage.name = "Preprocessing" - - # Generate normally-distributed pseudo-randoms - normal_rands = generate_ttx(cfg.num_tasks, TX_PREPROC, 0.25) - - for t in range(0, cfg.num_tasks): - tname = "Preproc-" + t - stage.add_tasks(generate_task(cfg, tname, normal_rands[t])) - - return stage - - - def generate_mlana_stage(self) -> Stage: - cfg = self.cfg.machine_learning_stage - stage = Stage() - stage.name = "MachineLearning" - - # Generate normally-distributed pseudo-randoms - normal_rands = generate_ttx(cfg.num_tasks, TX_ML, 0.25) - - for t in range(0, cfg.num_tasks): - tname = "ML-" + t - stage.add_tasks(generate_task(cfg, tname, normal_rands[t])) - - return stage - - - def generate_agent_stage(self) -> Stage: - cfg = self.cfg.agent_stage - stage = Stage() - stage.name = "AgentAna" - - normal_rands = generate_ttx(cfg.num_tasks, TX_AGENT, 0.05) - - for t in range(0, cfg.num_tasks): - tname = "Agent-" + t - task = generate_task(cfg, tname, normal_rands[t]) - stage.add_tasks(task) - - return stage - - - def generate_async_stage(self) -> List[Pipeline]: - """Generate a stage with the required number of each type of task. - """ - s = Stage() - s.name = "AsynchStage" - - # Simulation tasks - cfg = self.cfg.molecular_dynamics_stage - normal_rands = generate_ttx(cfg.num_tasks, - TX_SIM, 1.0) - - # Number of simulation tasks per pipeline - for t in range(0, cfg.num_tasks): - task = generate_task(cfg, "Sim", normal_rands[t]) - s.add_tasks(task) - - # Preprocessing tasks - cfg = self.cfg.machine_learning_stage - normal_rands = generate_ttx(cfg.num_tasks, TX_PREPROC, 0.5) - for t in range(0, cfg.num_tasks): - s.add_tasks(generate_task(cfg, "Preproc", normal_rands[t])) - - # ML tasks - cfg = self.cfg.machine_learning_stage - normal_rands = generate_ttx(cfg.num_tasks, TX_ML, 0.5) - for t in range(0, cfg.num_tasks): - s.add_tasks(generate_task(cfg, "ML", normal_rands[t])) - - # Agent tasks - cfg = self.cfg.agent_stage - normal_rands = generate_ttx(cfg.num_tasks, TX_AGENT, 0.1) - for t in range(0, cfg.num_tasks): - task = generate_task(cfg, "Agent", normal_rands[t]) - s.add_tasks(task) - - return s - - - def generate_async_pipeline(self) -> List[Pipeline]: - pipeline = Pipeline() - pipeline.add_stages(self.generate_async_stage()) - pipeline.add_stages(self.generate_async_stage()) - return pipeline - - - def generate_final_pipeline(self) -> List[Pipeline]: - pipeline = Pipeline() - pipeline.add_stages(self.generate_preproc_stage()) - pipeline.add_stages(self.generate_mlana_stage()) - pipeline.add_stages(self.generate_agent_stage()) - return pipeline - - - - def mlana_pipeline(self) -> List[Pipeline]: - pipelines = [] - num_models = 1 - - for _ in range(num_models): - self.pipeline = Pipeline() - pre_stage = self.generate_preproc_stage() - self.pipeline.add_stages(pre_stage) - ml_stage = self.generate_mlana_stage() - self.pipeline.add_stages(ml_stage) - ana_stage = self.generate_agent_stage() - self.pipeline.add_stages(ana_stage) - pipelines.append(self.pipeline) - return pipelines - diff --git a/JSSPP/main.py b/JSSPP/main.py deleted file mode 100644 index 35df350..0000000 --- a/JSSPP/main.py +++ /dev/null @@ -1,155 +0,0 @@ -import os -import argparse -import yaml -from typing import List, Union, Type, TypeVar, Optional -from pathlib import Path -from pydantic import validator -from pydantic import BaseSettings as _BaseSettings -import radical.utils as ru -from radical.entk import AppManager -from ddmd_async import AsyncPipelineManager - -_T = TypeVar("_T") - -def parse_args() -> argparse.Namespace: - parser = argparse.ArgumentParser() - parser.add_argument( - "-c", "--config", help="YAML config file", type=str, required=True - ) - args = parser.parse_args() - return args - -class BaseSettings(_BaseSettings): - @classmethod - def from_yaml(cls: Type[_T], filename: Union[str, Path]) -> _T: - with open(filename) as fp: - raw_data = yaml.safe_load(fp) - return cls(**raw_data) - -class CPUReqs(BaseSettings): - processes: int = 1 - process_type: Optional[str] - threads_per_process: int = 1 - thread_type: Optional[str] - - @validator("process_type") - def process_type_check(cls, v): - valid_process_types = {None, "MPI"} - if v not in valid_process_types: - raise ValueError(f"process_type must be one of {valid_process_types}") - return v - - @validator("thread_type") - def thread_type_check(cls, v): - thread_process_types = {None, "OpenMP"} - if v not in thread_process_types: - raise ValueError(f"thread_type must be one of {thread_process_types}") - return v - -class GPUReqs(BaseSettings): - processes: int = 0 - process_type: Optional[str] - threads_per_process: int = 0 - thread_type: Optional[str] - - @validator("process_type") - def process_type_check(cls, v): - valid_process_types = {None, "MPI"} - if v not in valid_process_types: - raise ValueError(f"process_type must be one of {valid_process_types}") - return v - - @validator("thread_type") - def thread_type_check(cls, v): - thread_process_types = {None, "OpenMP", "CUDA"} - if v not in thread_process_types: - raise ValueError(f"thread_type must be one of {thread_process_types}") - return v - -class BaseStageConfig(BaseSettings): - pre_exec: List[str] = [] - executable: str = "" - arguments: List[str] = [] - cpu_reqs: CPUReqs = CPUReqs() - gpu_reqs: GPUReqs = GPUReqs() - -class MolecularDynamicsStageConfig(BaseStageConfig): - num_tasks: int = 1 - -class AggregationStageConfig(BaseStageConfig): - num_tasks: int = 1 - -class MachineLearningStageConfig(BaseStageConfig): - num_tasks: int = 1 - -class AgentStageConfig(BaseStageConfig): - num_tasks: int = 1 - -class ExperimentConfig(BaseSettings): - resource: str - queue: str - schema_: str - project: str - walltime_min: int - cpus_per_node: int - gpus_per_node: int - num_nodes: int - molecular_dynamics_stage: MolecularDynamicsStageConfig - aggregation_stage: AggregationStageConfig - machine_learning_stage: MachineLearningStageConfig - agent_stage: AgentStageConfig - - -if __name__ == "__main__": - - args = parse_args() - cfg = ExperimentConfig.from_yaml(args.config) - - appman = AppManager( - hostname=os.environ["RMQ_HOSTNAME"], - port=int(os.environ["RMQ_PORT"]), - username=os.environ["RMQ_USERNAME"], - password=os.environ["RMQ_PASSWORD"], - autoterminate=False - ) - - appman.resource_desc = { - "resource": cfg.resource, - "queue": cfg.queue, - "schema": cfg.schema_, - "walltime": cfg.walltime_min, - "project": cfg.project, - "cpus": cfg.cpus_per_node * cfg.num_nodes, - "gpus": cfg.gpus_per_node * cfg.num_nodes, - } - - pipeline_manager = AsyncPipelineManager(cfg) - - # Run Simulation first - sim_pipeline_init = pipeline_manager.generate_sim_pipeline() - appman.workflow = [sim_pipeline_init] - appman.run() - - mlana_pipeline = pipeline_manager.generate_final_pipeline() - sim_pipeline = pipeline_manager.generate_sim_pipeline() - appman.workflow = [mlana_pipeline + sim_pipeline] - appman.run() - - mlana_pipeline2 = pipeline_manager.generate_final_pipeline() - sim_pipeline2 = pipeline_manager.generate_sim_pipeline() - appman.workflow = [mlana_pipeline2 + sim_pipeline2] - appman.run() - - # Iter-2: - # for _ in range(0, 2): - # mlana_pipe = pipeline_manager.mlana_pipeline() - # sim_pipe = pipeline_manager.generate_sim_pipeline() - # appman.workflow = set(mlana_pipe + sim_pipe) - # appman.run() - - # Finish with ML+Ana - final_pipeline = pipeline_manager.generate_final_pipeline() - appman.workflow = [final_pipeline] - appman.run() - - appman.terminate() diff --git a/JSSPP/resource_utilization-summit.ipynb b/JSSPP/resource_utilization-summit.ipynb deleted file mode 100644 index 546575c..0000000 --- a/JSSPP/resource_utilization-summit.ipynb +++ /dev/null @@ -1,449 +0,0 @@ -{ - "cells": [ - { - "cell_type": "code", - "execution_count": 1, - "metadata": {}, - "outputs": [], - "source": [ - "import os\n", - "import tarfile\n", - "import matplotlib as mpl\n", - "import matplotlib.pyplot as plt\n", - "import matplotlib.ticker as mticker\n", - "\n", - "import radical.utils as ru\n", - "import radical.pilot as rp\n", - "import radical.entk as re\n", - "import radical.analytics as ra\n", - "\n", - "plt.style.use(ra.get_mplstyle('radical_mpl'))" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "metadata": {}, - "outputs": [ - { - "data": { - "text/html": [ - "" - ], - "text/plain": [ - "" - ] - }, - "metadata": {}, - "output_type": "display_data" - } - ], - "source": [ - "from IPython.display import display, HTML\n", - "display(HTML(\"\"))\n", - "%matplotlib inline\n", - "mpl.rcParams['figure.dpi']= 600" - ] - }, - { - "cell_type": "code", - "execution_count": 3, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\r\n", - " python : /Users/vincentpascuzzi/sw/miniconda3/envs/rct/bin/python3\r\n", - " pythonpath : \r\n", - " version : 3.8.12\r\n", - " virtualenv : rct\r\n", - "\r\n", - " radical.analytics : 1.6.7\r\n", - " radical.entk : 1.11.0\r\n", - " radical.gtod : 1.6.7\r\n", - " radical.pilot : 1.9.2\r\n", - " radical.saga : 1.11.1\r\n", - " radical.utils : 1.11.0\r\n", - "\r\n" - ] - } - ], - "source": [ - "! radical-stack" - ] - }, - { - "cell_type": "code", - "execution_count": 50, - "metadata": {}, - "outputs": [], - "source": [ - "metrics = [\n", - " ['Bootstrap', ['boot', 'setup_1'] , '#c6dbef'],\n", - " ['Warmup' , ['warm' ] , '#f0f0f0'],\n", - " ['Schedule' , ['exec_queue','exec_prep', 'unschedule'] , '#c994c7'],\n", - " ['Exec RP' , ['exec_rp', 'exec_sh', 'term_sh', 'term_rp'], '#fdbb84'],\n", - " ['Exec Cmd' , ['exec_cmd'] , '#e31a1c'],\n", - " ['Cooldown' , ['drain'] , '#addd8e']\n", - "]\n", - "metrics = [\n", - " ['Bootstrap', ['boot', 'setup_1'] , '#ffffff'],\n", - " ['Warmup' , ['warm' ] , '#ffffff'],\n", - " ['Schedule' , ['exec_queue','exec_prep', 'unschedule'] , '#ffffff'],\n", - " ['Exec RP' , ['exec_rp', 'exec_sh', 'term_sh', 'term_rp'], '#ffffff'],\n", - " ['Exec Cmd' , ['exec_cmd'] , '#839dc9'],\n", - " ['Cooldown' , ['drain'] , '#ffffff']\n", - "]" - ] - }, - { - "cell_type": "code", - "execution_count": 5, - "metadata": {}, - "outputs": [], - "source": [ - "## Weak Scaling" - ] - }, - { - "cell_type": "code", - "execution_count": 84, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0000/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0000/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0000/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile 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\"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login1.pascuzzi.019225.0001/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0000/tmgr_reschedule_pubsub.prof\" not correctly closed.\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_reschedule_pubsub.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_scheduling.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_staging_input_queue.put.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/cmgr.0002.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_scheduling_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_staging_input_queue.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/pmgr_launching_queue.get.0000.prof\" not correctly closed.\n", - "WARNING: profile \"summit/ddmd-mock/paper/re.session.login5.pascuzzi.019221.0001/tmgr_reschedule_pubsub.prof\" not correctly closed.\n" - ] - } - ], - "source": [ - "os.environ['RADICAL_PILOT_DBURL'] = 'mongodb://pascuzzi:slriUTnc7NrM8o5t@95.217.193.116/lavinlie'\n", - "\n", - "# OLD\n", - "# sids = ['re.session.login5.pascuzzi.019080.0004',\n", - "# 're.session.login5.pascuzzi.019080.0004',\n", - "# 're.session.login5.pascuzzi.019080.0004',\n", - "# 're.session.login5.pascuzzi.019080.0004']\n", - "# sdir = 'summit/'\n", - "\n", - "\n", - "#### DDMD\n", - "# sids = ['re.session.login2.pascuzzi.019224.0001', # ddmd-seq\n", - "# 're.session.login2.pascuzzi.019224.0006', # ddmd-async\n", - "# 're.session.login2.pascuzzi.019224.0005', # ddmd-async-alt\n", - "# 're.session.login5.pascuzzi.019221.0001'] # extra/no good\n", - "\n", - "#### Abstract DAG\n", - "# sids = ['re.session.login3.pascuzzi.019220.0000', # exp1-seq\n", - "# 're.session.login3.pascuzzi.019220.0001', # exp1-async\n", - "# 're.session.login5.pascuzzi.019221.0000', # exp2-seq\n", - "# 're.session.login5.pascuzzi.019221.0001'] # exp2-async\n", - "\n", - "sids = ['re.session.login1.pascuzzi.019225.0000', # exp1-seq\n", - " 're.session.login1.pascuzzi.019225.0001', # exp1-async\n", - " 're.session.login5.pascuzzi.019221.0000', # exp2-seq\n", - " 're.session.login5.pascuzzi.019221.0001'] # exp2-async\n", - "sdir = 'summit/ddmd-mock/paper/'\n", - "sessions = [sdir+s for s in sids]\n", - "\n", - "for sid in sids:\n", - " sp = sdir+sid+'.tgz'\n", - " tar = tarfile.open(sp, mode='r:gz')\n", - " tar.extractall(path=sdir)\n", - " tar.close()\n", - "\n", - "ss = {}\n", - "for sid in sids:\n", - " sp = sdir+sid\n", - " ss[sid] = {'s': ra.Session(sp, 'radical.pilot')}\n", - " ss[sid].update({'p': ss[sid]['s'].filter(etype='pilot', inplace=False),\n", - " 't': ss[sid]['s'].filter(etype='task' , inplace=False)})\n", - "\n", - "for sid in sids:\n", - " ss[sid].update({'cores_node': ss[sid]['s'].get(etype='pilot')[0].cfg['resource_details']['rm_info']['cores_per_node'],\n", - " 'pid' : ss[sid]['p'].list('uid'),\n", - " 'ntask' : len(ss[sid]['t'].get())\n", - " })\n", - "\n", - " ss[sid].update({'ncores' : ss[sid]['p'].get(uid=ss[sid]['pid'])[0].description['cores'],\n", - " 'ngpus' : ss[sid]['p'].get(uid=ss[sid]['pid'])[0].description['gpus']\n", - " })\n", - "\n", - " ss[sid].update({'nnodes' : int(ss[sid]['ncores']/ss[sid]['cores_node'])})" - ] - }, - { - "cell_type": "code", - "execution_count": 92, - "metadata": { - "scrolled": false - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "work-flow run-time (0, 0): 1372.065289\n", - "work-flow run-time (1, 0): 1372.065289\n" - ] - }, - { - "data": { - "image/png": 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vWEJsV7Xmiq7ihg/7BJJzvsk5fxVNvziP5nXxuOe/Kcdxqjn2kO9RJqXk/nnLXRcppXclt+7a9lVEPI3KinMBAGj35dABAAAAVKLrpPZeA3BrdM1c8CilNFszC1NVSgHVIZY9gUEdsg8ecOaS2ZaP7xpU7jO+1rZSSo96nLFmzBx76vI+2mepGdLTaF/66SIiHi79/HM0OeA659x3oUZ1ueKeWWF6mXFLsdRJOMkce8BcPdXZXs+jPfe/iGa2v+toZvX7x7Z/+75mAAQA4PDMPAUAANB40rH9IMss3HPivSsW4DjmQwdwaCmls+gutmor1NjVvGP7VAdoVzn21KW6JdlKsWVbMdRZSukiIiKl9C6aWZrm0fMMJxXnis5ZLi2tx5JTzLHr9sFufrjn/sWSqL+llH5NKV2klF6szgAIAMC4mXkKAACYvJTSusGM+QF3PY/2Aclv44RncyoDsYuvWTQzZzwIy/NRj4MMqhbzA7a9jXV5r8/Cg66/5azHfYySY099cs43KaW921kUNZVl9/aWcz5PKT2Nz5epe5ZSeh+3/fn5AQqHas0VXXHN946Ek3DCOfaQ71EmKec8Tym9jKZA6j6LzzDPIiJSSvNollF8HxFXZtUEABgvxVMAAADNCfAuhxyg+Bjtgyvr4hmVUij1JCIeR8TX0Vy5DQxvtua+N2UQsQ9ds8aYecqx5ySVmUieRc+zWOWcn6eUfo3P/0+LApHXB1oearbmviFzRdfrVWEJC3IsGytFqrOIeLPlU2fR5OEnEREppZto8vGki5EBAMZI8RQAAEAz81FNZkMHsK+U0otolhlqK5aaR8RVRPwzmsHleUTclBk/Ph0rRpi4P665bzGrwqHMo5mlYeoce07T1+X2EEvHPY2OpfJyzm8PsL+I8eWKef9hMFJyLFvJOb8txU8/xu7/r7OIuEgpXUfEN/cs5QgAQEUUTwEAANQ3mDHKK9OXrtZ+0XL3TTRLYVweYEkhYHvr8sxjy84cxWzoAFaM8thzAC8jmiX8dnz+43Lbex8qRcbPI+Ji9b6U0kVfywSuqC5XlFktu5h5ioXZ0AGskGNHIOd8mVK6iqaAanWp1G08ioj/TCl94z0VAMA4/GHoAAAAACpg+ag9pZReRcRv8Xnh1HVEPM85P8w5v1U4BfA7x54K5ZzPc87nezSxKJBonSFqX2UpqLaB+Gdl1kegIceyk5zzvBSjfhURr2P3YthZRHwoy7kCAFA5M08BAADUN0vBfOgANlVmf7iI9uX53uacXx85JGAzChmH59hzmp6U24MsTVkKpLoG4t+llP7V8ywn1eWKMgNX190KZliQY9lLWXLvbfmKlNKTaPLv02iWaJ1t2NRF1LeMJAAAK8w8BQAAsH52iEMOwnW1XdtgT6tSOPUh2gdxnyqcgqr9e819ig+Ow7HnxKzMLtJ70VFp/1358TzaizF+Lsvo9mVsuWI2dABUQ46lVznnqzKT7tOc81fRzEz1NJp8vM5ZSunN4SMEAGAfiqcAAADWXwk+O+B+u9o++iwPKaU3KaVPm57YLwOzH6L9d3iac77qMTygf+vyzNma+9jAhjl1vua+Wb8RbdR2dTMMjdDX5XZeZizpTTnu/lx+vMo5v4yIb1oeOotmlpO+1JoruuKqsaBrkrZ9b3kA8zX3zQ6436625dgTU5b3u8o5v8w5fxERL6P7dffqeJEBALALxVMAAADrl9YZYhBuDIMrP0f74NBrhVMwCuv66exYQUycY8/peVpuD7Fk30U0ffMm5/w0IqIsz9c2y+OTlFJfA/W15oqupQlnxwyCqsmx3CulNEsp/dZHkV/O+bzMSHXZsa8X++4DAIDDUTwFAABMXhl8nHfc/fAQ+yxL3nXpc8aI3qWUnkX7Un3znPPbI8fyJKX05Jj7hFNQZsXpGsj9jyOGMlmOPSfpWbnttUiiDOo/ieb18nT5vnLcbStwetPH8bHiXPH3rjtWlk+swSGXazPTVgc5lg19HU3RZW8zQ+Wcn0d7AdXjvvYBAED/FE8BAAA0/tGx/VADcF3tzkcwc9N3Hdt/OGYQZXD0fUS8O+Z+4YS0zowQh8t7fM6x50SUwuKFDz23uxjUf55zbitkeh7tRSIXZbm/fdWYK9a9XqdUVD0bOoDKybFsrM/Cy1JANV/ZbFlkAICKKZ4CAABodF0N/vWB9tc1W0PVAyvlivqugYWuwdVN257t83xga12Fh2eH6o8ppUcppb4KOk6BY8/peLn0fS8zT5Vj7uI10rksbpkd6puWu2bRLLO7r+pyRfmdu5bue9qxvY+Y3u3wO88PEM59sxzRkGPZxrc9t3e+8rM+CwBQMcVTAAAAEVEGJNsG4WYHGhjsmhXh9Q5t9bEczKzc/vuex3We9O+YDWMbBhTgiEqf7Sp6/POBdvtjNEub1TwzzNFy6siPPRRltpLlv+2/emr6fbm9vG9Z3LJEWdv/8VFKaa8ZGivOFV2v20Pll4uIeLFD+4datu+QefSY7y0PRo5lS8/uf8hW3q/8PO+5fQAAeqR4CgAA4FbXwMaLPneyZvam8x0LkLqe82CLNhaPvW//XQVO8y321aXmYgo4VV15r/eB3lJgssh9Nc/CccycGjHeYw+3flz+ocyKtJeU0kU0x9x5Wf7pXqXAqq1vvVhZVnAX1eWKNYUxkVJ61bZ9j5iexO17oFry10Fm2CqOnQcPSY5lU2c9z+i2+n/3OgAAqJjiKQAAgKIMwrUNiH3X865edmzfdQCy60T8wy3aWAwU3HdSf7bl9m30vVQGcI8yoLu6rExEM4DYd0Hjm3J71UdxyQEdM6eO+dhDRKSUXsTdgomupeS2afNV3M6AslHh1JLn0V7QfLFPUUDFueKvHdsP1X8ud8hfba+JbYqQuvQ9S86yo+bBQ5Jj2VKf/6/Zys//7LFtAAB6pngKAADgrrZBx1kZHN1bGbhsmw3h+a7FBOV5bc9tu/q9y+Kx9w1wdd6/z6BsGXh9FNsNMNYyowGMWs75ZbT3ozct23aysqxZ1wBzFY6cUxdGd+zh98Kp1SXx9lqyr7S5XDy01SxH5f/5Tcfdq0tIbaXGXFGWK2xb0nDW1+xTJaZFodIPOzTRVjAx2zmguDOz1nyfdroMlAcPSY5lUy96XNLx65Wfu5Y/BQCgAoqnAACA2qwrwOnjKv211gw6vutpGYeLlm1vc877nkz/R8u21RP2rZZmjLjZYIBn3Ywa+xREvItmcK1tho2uv/suMxrMNtw2BYP2tS3NNtzWl9p+/zazntt7Gp8PLD9KKe1dFFEGIX8uP74dyfJFx8qpETHqY88QquifpXhltXAqIuLXPdp8s9LmTsVOawqKzspygPuoLlfknF9H+8xCb0rh074Wf7PL8rfdVmsB3K4FGuV530Xz/qctV+3Ubouj5sEWsw233evEcmwVOfDE/Xj/QzayvLTm9Uje/wAATJbiKQAAoBplMGi25iF9DIDdqwyMtRXx7DVjQxlYXP0dLsug377aBm1mGy6l8/tSNPc9sJz073rcq10GKVNK76Mp5Hld2l8dWOj6PRb/o20GgtsGyPoYNBuVWvraFg7yf1vzd2jbtou2GA/Z9s4zwJW+15b3XqWU9l0a6udofu/rnvLdMRwlpy4b6bFnCOte47ND7zyl9Cyl9Gt0z7a0dXFNSukspfQh2meu2dXfO7Y/26fQqeJc8Tzai6kv9plFphSbnUVTMNa1ROBapXCnLR/sutzhj9H8nTr/Rj0XjS07aB5c0euxf2w5dqj3KD3OujRmz/adlWxlxroIyzcCAFRP8RQAAFCFMhDz8z0PO0spXfR0hfha5Urx1dkVzlJKv+6y/zL4tjoo+jbn3DaIs7WyrE/rrAv3xHUW2y9F8zq6l4n5edNBl5TSrBROPYm7V+e3DS68W263DNA+iWZGg42WNEoptc0QEtH8X3tZtmUMautr97nn/7bvQH3nzAJr9ruRdc/fd+aXewof9imKuIqIx/F5/77Ypdii9PFfoxlUvonupcSqc+ScurzfUR17jq30q9mahzzpO2+V1/GTlNKb8npeFNN02XhmkdLuRTSzVbUVu7zco5Bh3Wv11T45vsZckXOe55wfxuf99iwi/nPH/vMumv48j4hv9lx+rS0ffLdHTJf3zGr0475FMEPlwdLGQY79I8uxg7xHiR6X4Ry5d7u+1krfW36v93bbJVgBADi+Lz59+jR0DAAAwAkry9r8sfw4W7rrQfn5Qew2y808mgG2m4j42HJfRMQ/910uowykLGZGWvY659y2JM7q859EMwix+js+73spj3Ki/j/j84Hlt21Xv5fHf4jmd2t9zJp9PYrbGSLarP37lNfFd+X5n+17qahq2TyaJWTOlu57vLqETvmfvVyKbfEau29Q7CaaGUMWr6d5RPyw52Dp0ZxIX+vj/3axOkBVXq/frrT9JO6fvaHtNfFuedmVPeKeRzMovdz235dfz3u2/a+4W8TxbtPlppaWzlp9vVxF07fvbae8HhcDsDfR9NX5JvuvxTFzaktbozn29KnlNR/RvO7PYrv8dRW3r//5hs9Z3ees7Hergoqc8xdd95WChU378cI8Is43eT2V1+CPsVl+W7hZ+oqI+HWT19jS/qrLFeXv3FYUvWn/eRR3i+Q+e6+xY1wv4vOlHs9zzvcue7z0v30Wzcxcj8v2rt91YdEX5hHx72iKrrYp8JvFAfPgIY/9G+y3ihxb8XuUnd9HHFP5+31Y2vTVNjmk/C9XZx+7jNsCwF0+Iy3nj8t9iunK/3B5OdiHlv8DADgMxVMAAMBBlZkEhpq9ZqMBqU2UAa838flAxnk0J9wXA4/LgxIv4/Pf/TyagZl5H3G1xNk1GHQVTfyLk+2LQZ9ZRFzlnJ/usK9ZNIMDXcu3zMt+/1m+fxjN3+bJ0v2vc87nHe1fxN3lLlbbft42UNYxCLKr0QxQjL2v9fh/+2zgs8wcsNdsT0ueLr/uen693Rl0bRkQ3MfLrr7WZU3eu45mSbD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- "text/plain": [ - "
" - ] - }, - "metadata": { - "needs_background": "light" - }, - "output_type": "display_data" - } - ], - "source": [ - "exp = ra.Experiment(sessions, stype='radical.pilot')\n", - "p_zeros = ra.get_pilots_zeros(exp)\n", - "\n", - "# Type of resource we want to plot: cpu or gpu\n", - "rtypes=['cpu', 'gpu']\n", - "\n", - "provided, consumed, stats_abs, stats_rel, info = exp.utilization(metrics=metrics, rtype=rtypes[1])\n", - "\n", - "# sessions you want to plot\n", - "splot = [os.path.basename(s) for s in sessions]\n", - "nsids = len(splot)\n", - "\n", - "# Create figure and 1 subplot for each session\n", - "# Use LaTeX document page size (see RA Plotting Chapter)\n", - "fwidth, fhight = ra.get_plotsize(300, subplots=(1, 1))\n", - "fig, axarr = plt.subplots(2, 1, sharex='col', figsize=(fwidth, fhight))\n", - "\n", - "# Avoid overlapping between Y-axes ticks and sub-figures\n", - "plt.subplots_adjust(wspace=0.45)\n", - "\n", - "# Generate the subplots with labels\n", - "\n", - "legend = None\n", - "for k, rtype in enumerate(rtypes):\n", - " _, consumed, _, _, _ = exp.utilization(metrics=metrics, rtype=rtype)\n", - " j = 'a'\n", - " for i, sid in enumerate(splot[3:]):\n", - "\n", - " # we know we have only 1 pilot\n", - " pid = ss[sid]['p'].list('uid')[0]\n", - "\n", - " # Plot legend, patched, X and Y axes objects\n", - " legend, patches, x, y = ra.get_plot_utilization(metrics, consumed, p_zeros[sid][pid], sid)\n", - "\n", - " # Place all the patches, one for each metric, on the axes\n", - " for patch in patches:\n", - " axarr[k].add_patch(patch)\n", - "\n", - " # Title of the plot. Facultative, requires info about session (see RA\n", - " # Info Chapter). We set the title only on the first raw of plots\n", - "# if rtype == 'cpu':\n", - "# # axarr[k][i].set_title('%s Tasks - %s Nodes' % (ss[sid]['ntask'],\n", - "# # int(ss[sid]['nnodes'])))\n", - "# axarr[k].set_title('%s Tasks - %s Nodes' % (ss[sid]['ntask'],\n", - "# 16))\n", - "\n", - " # Format axes\n", - "# axarr[k][i].set_xlim([x['min'], x['max']])\n", - "# axarr[k].set_xlim([0, 2000])\n", - "# if i == 0:\n", - "# axarr[k].set_xlim([0, 1800])\n", - "# if i == 1:\n", - " axarr[k].set_xlim([0, 1400])\n", - " \n", - " axarr[k].set_ylim([y['min'], int(y['max'])])\n", - "# axarr[k][i].set_ylim([0, 680])\n", - " print('work-flow run-time (%s, %s): %f' % (str(k), str(i), x['max']))\n", - " axarr[k].yaxis.set_major_locator(mticker.MaxNLocator(5))\n", - " axarr[k].xaxis.set_major_locator(mticker.MaxNLocator(7))\n", - " axarr[k].tick_params(axis='x', labelsize=8)\n", - " axarr[k].tick_params(axis='y', labelsize=8)\n", - " \n", - " \n", - "# axarr[k].set_xticklabels(['0', '300', '900', '1200', '1500', '1800']) # ddmd-seq\n", - "# axarr[k].set_xticklabels(['0', '300', '900', '1200', '1500', '1800']) # ddmd-async\n", - " \n", - " for axis in ['top','bottom','left','right']:\n", - " axarr[k].spines[axis].set_linewidth(0.5)\n", - " axarr[k].tick_params(width=0.5)\n", - " \n", - " if rtype == 'cpu':\n", - " # Specific to Summit when using SMT=4 (default)\n", - " axarr[k].yaxis.set_major_formatter(\n", - " mticker.FuncFormatter(lambda z, pos: int(z/4)))\n", - "# axarr[k][i].set_ylabel('CPU\\nCores', fontsize=6, labelpad=4)\n", - "\n", - " # plot axis labels\n", - " if k == 0: #and (i == 0 or i==2):\n", - " axarr[k].set_ylabel('CPU Cores', fontsize=10, labelpad=3)\n", - " if k == 1: #and (i == 0 or i==2):\n", - " axarr[k].set_ylabel('GPUs', fontsize=10, labelpad=6)\n", - "\n", - " # Set x labels to letters for references in the paper.\n", - " # Set them only for the bottom-most subplot\n", - "# if rtype == 'gpu':\n", - "# axarr[k][i].set_xlabel('(%s)' % j, labelpad=10)\n", - "# if k == 1 and i == 0:\n", - "# axarr[k][i].set_ylabel('GPUs', fontsize=6, labelpad=7)\n", - " if k == 1:\n", - " axarr[k].set_xlabel('Total Time to Execution [s]', fontsize=10, labelpad=4)\n", - "\n", - " # update session id and raw identifier letter\n", - " j = chr(ord(j) + 1)\n", - " break\n", - "\n", - "# Add legend\n", - "# fig.legend(legend, [m[0] for m in metrics],\n", - "# loc='upper center', bbox_to_anchor=(0.5, 1.25), ncol=6)\n", - "\n", - "# Add axes labels\n", - "# fig.text(0.22, -0.15, 'Workflow Run-Time [s]', fontsize=6)\n", - "# fig.text(0.63, -0.15, 'Workflow Run-Time [s]', fontsize=6)" - ] - }, - { - "cell_type": "code", - "execution_count": 93, - "metadata": {}, - "outputs": [], - "source": [ - "# Add axes labels and save to PDF\n", - "# fig.text(0.5, -0.2, 'Time (s)', ha='center')\n", - "fig.savefig('adag2-resuse-async.pdf', bbox_inches=\"tight\")\n", - "# Getting only the axes specified by ax[0,0]\n", - "\n", - "# Save subfigs to file.\n", - "# names = ['adag1-seq.pdf', 'adag2-async.pdf', 'adag2-seq.pdf', 'adag2-async.pdf']\n", - "# i = 0\n", - "# for sf in subfigs:\n", - "# fig.savefig(names[i], bbox_inches=subfigs[i].expanded(1.1, 1.2))\n", - "# i += 1" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3 (ipykernel)", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.8.12" - } - }, - "nbformat": 4, - "nbformat_minor": 4 -} diff --git a/README.md b/README.md index 363ef91..a9e7655 100644 --- a/README.md +++ b/README.md @@ -9,51 +9,9 @@ https://ieeexplore.ieee.org/abstract/document/8945122 # Adaptive Execution Development -This is an ongoing develeopment branch you can find the source code under [src](https://github.com/radical-collaboration/DeepDriveMD/tree/master/src/) and [data](https://github.com/radical-collaboration/DeepDriveMD/tree/master/data/) +This is an ongoing develeopment branch you can find the source code under [ddmd](https://github.com/radical-collaboration/DeepDriveMD/tree/main/ddmd/) -# Asynchronous Execution Development published at JSSPP - -JSSPP folder holds source code and figures used in the paper - - -## COVID-19 Development (Relocated under [archive](https://github.com/radical-collaboration/DeepDriveMD/tree/archive_v0) tag) - -There is ongoing activity in associcated with the Covid-19 project. -https://github.com/2019-ncovgroup/DrugWorkflows/tree/devel/workflow-2 - - -## Dependency - -- OpenMM - - swig 3+ - - numpy - - cython -- tensorflow-gpu - - keras -- MDAnalysis - - scipy - - numpy 1.16+ -- scikit-learn -- Parmed -- pytables -- h5py - -## Systems - - - fs-peptide/vhp: https://github.com/radical-collaboration/DeepDriveMD/tree/master/microscope/experiments - - ntl9: https://github.com/radical-collaboration/DeepDriveMD/tree/master/src/mdrun/ntl9 - -## Experiment - -* OLCF Summit [Performance Analysis](https://github.com/radical-experiments/deepdriveMD) - ## RADICAL-Cybertools (RCT) -* [EnTK documentation](http://radicalentk.readthedocs.io/en/latest/) -* [Use-case description](https://docs.google.com/document/d/1XFgg4rlh7Y2nckH0fkiZTxfauadZn_zSn3sh51kNyKE/edit#) - - - - - +* [ROSE documentation](https://radical-cybertools.github.io/ROSE/) \ No newline at end of file diff --git a/data/7cz4/7CZ4-folded.pdb b/data/7cz4/7CZ4-folded.pdb deleted file mode 100644 index 1545e23..0000000 --- a/data/7cz4/7CZ4-folded.pdb +++ /dev/null @@ -1,2657 +0,0 @@ -HEADER -TITLE -TITLE 2 -TITLE 3 -REMARK 4 XXXX COMPLIES WITH FORMAT V. 2.1, 25-OCT-1996 -CRYST1 68.420 68.420 68.420 90.00 90.00 90.00 -ATOM 1 N ASN 4 22.860 13.920 -22.800 -ATOM 2 2H ASN 4 22.650 14.960 -23.370 -ATOM 3 3H ASN 4 22.110 13.190 -23.360 -ATOM 4 4H ASN 4 23.960 13.620 -23.180 -ATOM 5 CA ASN 4 22.760 14.290 -21.390 -ATOM 6 HA ASN 4 22.630 13.370 -20.660 -ATOM 7 CB ASN 4 24.060 14.960 -20.920 -ATOM 8 2HB ASN 4 24.050 15.540 -19.880 -ATOM 9 3HB ASN 4 24.250 15.900 -21.640 -ATOM 10 CG ASN 4 25.280 14.020 -20.980 -ATOM 11 OD1 ASN 4 25.170 12.800 -20.820 -ATOM 12 ND2 ASN 4 26.460 14.590 -21.210 -ATOM 13 2HD2 ASN 4 27.570 14.720 -20.810 -ATOM 14 3HD2 ASN 4 26.510 15.360 -22.120 -ATOM 15 C ASN 4 21.550 15.210 -21.150 -ATOM 16 O ASN 4 21.690 16.410 -20.910 -ATOM 17 N SER 5 20.350 14.610 -21.210 -ATOM 18 H SER 5 20.250 13.910 -22.170 -ATOM 19 CA SER 5 19.070 15.260 -20.930 -ATOM 20 HA SER 5 19.140 16.440 -20.770 -ATOM 21 CB SER 5 18.120 15.130 -22.120 -ATOM 22 2HB SER 5 17.440 16.120 -22.190 -ATOM 23 3HB SER 5 17.280 14.290 -22.310 -ATOM 24 OG SER 5 18.800 15.190 -23.370 -ATOM 25 HG SER 5 19.070 15.770 -24.370 -ATOM 26 C SER 5 18.420 14.610 -19.710 -ATOM 27 O SER 5 17.380 13.950 -19.840 -ATOM 28 N PHE 6 19.030 14.760 -18.530 -ATOM 29 H PHE 6 19.440 15.870 -18.400 -ATOM 30 CA PHE 6 18.560 14.090 -17.330 -ATOM 31 HA PHE 6 18.280 12.980 -17.640 -ATOM 32 CB PHE 6 19.660 14.040 -16.270 -ATOM 33 2HB PHE 6 19.240 13.770 -15.200 -ATOM 34 3HB PHE 6 20.000 15.180 -16.110 -ATOM 35 CG PHE 6 20.840 13.200 -16.660 -ATOM 36 CD1 PHE 6 20.810 11.830 -16.500 -ATOM 37 HD1 PHE 6 19.830 11.260 -16.170 -ATOM 38 CE1 PHE 6 21.900 11.050 -16.850 -ATOM 39 HE1 PHE 6 21.610 10.060 -17.430 -ATOM 40 CZ PHE 6 23.010 11.630 -17.370 -ATOM 41 HZ PHE 6 24.050 11.090 -17.180 -ATOM 42 CE2 PHE 6 23.060 13.000 -17.540 -ATOM 43 HE2 PHE 6 23.810 13.490 -18.300 -ATOM 44 CD2 PHE 6 21.970 13.780 -17.180 -ATOM 45 HD2 PHE 6 22.180 14.940 -17.280 -ATOM 46 C PHE 6 17.350 14.820 -16.770 -ATOM 47 O PHE 6 17.400 16.040 -16.580 -ATOM 48 N SER 7 16.290 14.090 -16.500 -ATOM 49 H SER 7 16.190 12.950 -16.790 -ATOM 50 CA SER 7 15.030 14.690 -16.080 -ATOM 51 HA SER 7 15.120 15.870 -15.950 -ATOM 52 CB SER 7 13.960 14.530 -17.160 -ATOM 53 2HB SER 7 13.990 15.450 -17.920 -ATOM 54 3HB SER 7 12.820 14.590 -16.810 -ATOM 55 OG SER 7 14.100 13.270 -17.780 -ATOM 56 HG SER 7 14.000 13.390 -18.960 -ATOM 57 C SER 7 14.540 14.040 -14.810 -ATOM 58 O SER 7 14.550 12.810 -14.680 -ATOM 59 N GLY 8 14.090 14.850 -13.870 -ATOM 60 H GLY 8 13.760 15.990 -14.020 -ATOM 61 CA GLY 8 13.460 14.290 -12.690 -ATOM 62 2HA GLY 8 12.590 13.520 -12.940 -ATOM 63 3HA GLY 8 12.800 15.140 -12.150 -ATOM 64 C GLY 8 14.390 13.910 -11.570 -ATOM 65 O GLY 8 13.970 13.170 -10.670 -ATOM 66 N TYR 9 15.630 14.390 -11.580 -ATOM 67 H TYR 9 15.710 15.500 -11.990 -ATOM 68 CA TYR 9 16.570 14.060 -10.520 -ATOM 69 HA TYR 9 16.200 13.010 -10.130 -ATOM 70 CB TYR 9 18.000 14.040 -11.060 -ATOM 71 2HB TYR 9 18.630 13.960 -10.060 -ATOM 72 3HB TYR 9 18.230 15.060 -11.630 -ATOM 73 CG TYR 9 18.270 12.850 -11.930 -ATOM 74 CD1 TYR 9 18.980 11.760 -11.460 -ATOM 75 HD1 TYR 9 19.750 11.790 -10.560 -ATOM 76 CE1 TYR 9 19.210 10.640 -12.270 -ATOM 77 HE1 TYR 9 19.560 9.560 -11.930 -ATOM 78 CZ TYR 9 18.720 10.620 -13.560 -ATOM 79 OH TYR 9 18.940 9.540 -14.370 -ATOM 80 HH TYR 9 19.220 9.190 -15.460 -ATOM 81 CE2 TYR 9 18.000 11.700 -14.050 -ATOM 82 HE2 TYR 9 17.370 11.550 -15.030 -ATOM 83 CD2 TYR 9 17.770 12.800 -13.230 -ATOM 84 HD2 TYR 9 17.300 13.780 -13.700 -ATOM 85 C TYR 9 16.460 15.050 -9.360 -ATOM 86 O TYR 9 16.410 16.270 -9.560 -ATOM 87 N LEU 10 16.410 14.510 -8.150 -ATOM 88 H LEU 10 15.480 13.780 -8.150 -ATOM 89 CA LEU 10 16.600 15.330 -6.970 -ATOM 90 HA LEU 10 16.000 16.340 -7.140 -ATOM 91 CB LEU 10 16.090 14.620 -5.720 -ATOM 92 2HB LEU 10 16.130 15.520 -4.920 -ATOM 93 3HB LEU 10 16.870 13.830 -5.290 -ATOM 94 CG LEU 10 14.690 14.050 -5.670 -ATOM 95 HG LEU 10 14.530 13.020 -6.230 -ATOM 96 CD1 LEU 10 14.380 13.800 -4.210 -ATOM 97 2HD1 LEU 10 13.260 13.400 -4.010 -ATOM 98 3HD1 LEU 10 15.070 12.940 -3.760 -ATOM 99 4HD1 LEU 10 14.340 14.740 -3.470 -ATOM 100 CD2 LEU 10 13.680 14.960 -6.270 -ATOM 101 2HD2 LEU 10 12.560 14.540 -6.130 -ATOM 102 3HD2 LEU 10 13.560 16.040 -5.750 -ATOM 103 4HD2 LEU 10 13.510 15.260 -7.420 -ATOM 104 C LEU 10 18.090 15.630 -6.810 -ATOM 105 O LEU 10 18.940 14.750 -6.960 -ATOM 106 N LYS 11 18.390 16.880 -6.510 -ATOM 107 H LYS 11 17.590 17.620 -6.030 -ATOM 108 CA LYS 11 19.760 17.340 -6.370 -ATOM 109 HA LYS 11 20.510 16.790 -7.100 -ATOM 110 CB LYS 11 19.920 18.720 -7.010 -ATOM 111 2HB LYS 11 18.960 19.380 -6.700 -ATOM 112 3HB LYS 11 19.680 18.700 -8.180 -ATOM 113 CG LYS 11 20.930 19.640 -6.370 -ATOM 114 2HG LYS 11 21.870 18.920 -6.300 -ATOM 115 3HG LYS 11 20.680 20.120 -5.300 -ATOM 116 CD LYS 11 21.170 20.860 -7.260 -ATOM 117 2HD LYS 11 20.480 21.750 -6.830 -ATOM 118 3HD LYS 11 20.710 20.880 -8.360 -ATOM 119 CE LYS 11 22.590 21.360 -7.150 -ATOM 120 2HE LYS 11 23.280 20.420 -7.350 -ATOM 121 3HE LYS 11 22.690 22.070 -6.190 -ATOM 122 NZ LYS 11 22.970 22.040 -8.390 -ATOM 123 2HZ LYS 11 24.070 22.530 -8.440 -ATOM 124 3HZ LYS 11 22.810 21.720 -9.530 -ATOM 125 4HZ LYS 11 22.350 23.070 -8.410 -ATOM 126 C LYS 11 20.110 17.360 -4.880 -ATOM 127 O LYS 11 19.510 18.100 -4.100 -ATOM 128 N LEU 12 21.070 16.510 -4.500 -ATOM 129 H LEU 12 21.320 15.660 -5.270 -ATOM 130 CA LEU 12 21.500 16.360 -3.110 -ATOM 131 HA LEU 12 20.680 16.850 -2.390 -ATOM 132 CB LEU 12 21.970 14.930 -2.860 -ATOM 133 2HB LEU 12 22.230 14.890 -1.700 -ATOM 134 3HB LEU 12 23.000 14.670 -3.400 -ATOM 135 CG LEU 12 20.920 13.890 -3.220 -ATOM 136 HG LEU 12 20.520 13.890 -4.340 -ATOM 137 CD1 LEU 12 21.540 12.520 -3.050 -ATOM 138 2HD1 LEU 12 20.810 11.630 -2.700 -ATOM 139 3HD1 LEU 12 22.130 12.120 -4.000 -ATOM 140 4HD1 LEU 12 22.290 12.510 -2.120 -ATOM 141 CD2 LEU 12 19.660 14.060 -2.360 -ATOM 142 2HD2 LEU 12 18.730 13.400 -2.710 -ATOM 143 3HD2 LEU 12 19.780 13.790 -1.210 -ATOM 144 4HD2 LEU 12 19.080 15.110 -2.390 -ATOM 145 C LEU 12 22.620 17.320 -2.720 -ATOM 146 O LEU 12 22.620 17.870 -1.620 -ATOM 147 N THR 13 23.600 17.480 -3.600 -ATOM 148 H THR 13 23.640 16.950 -4.650 -ATOM 149 CA THR 13 24.700 18.410 -3.410 -ATOM 150 HA THR 13 24.410 19.330 -2.710 -ATOM 151 CB THR 13 25.980 17.680 -3.040 -ATOM 152 HB THR 13 26.790 18.470 -2.670 -ATOM 153 CG2 THR 13 25.780 16.790 -1.830 -ATOM 154 2HG2 THR 13 26.840 16.780 -1.280 -ATOM 155 3HG2 THR 13 25.240 17.450 -0.990 -ATOM 156 4HG2 THR 13 25.240 15.740 -1.980 -ATOM 157 OG1 THR 13 26.360 16.860 -4.150 -ATOM 158 HG1 THR 13 27.480 17.040 -4.450 -ATOM 159 C THR 13 24.860 19.150 -4.730 -ATOM 160 O THR 13 24.040 19.000 -5.640 -ATOM 161 N ASP 14 25.940 19.910 -4.860 -ATOM 162 H ASP 14 26.310 20.520 -3.900 -ATOM 163 CA ASP 14 26.110 20.680 -6.080 -ATOM 164 HA ASP 14 25.220 21.440 -6.320 -ATOM 165 CB ASP 14 27.250 21.690 -5.930 -ATOM 166 2HB ASP 14 27.610 22.210 -6.950 -ATOM 167 3HB ASP 14 28.270 21.380 -5.390 -ATOM 168 CG ASP 14 26.830 22.950 -5.150 -ATOM 169 OD1 ASP 14 27.740 23.700 -4.710 -ATOM 170 OD2 ASP 14 25.610 23.170 -4.980 -ATOM 171 C ASP 14 26.330 19.780 -7.290 -ATOM 172 O ASP 14 26.000 20.170 -8.410 -ATOM 173 N ASN 15 26.860 18.560 -7.090 -ATOM 174 H ASN 15 27.520 18.640 -6.110 -ATOM 175 CA ASN 15 27.220 17.680 -8.200 -ATOM 176 HA ASN 15 26.800 18.150 -9.210 -ATOM 177 CB ASN 15 28.750 17.560 -8.310 -ATOM 178 2HB ASN 15 29.150 18.690 -8.270 -ATOM 179 3HB ASN 15 29.250 17.350 -9.370 -ATOM 180 CG ASN 15 29.380 17.010 -7.060 -ATOM 181 OD1 ASN 15 29.400 17.670 -6.030 -ATOM 182 ND2 ASN 15 29.870 15.790 -7.140 -ATOM 183 2HD2 ASN 15 29.940 15.150 -6.140 -ATOM 184 3HD2 ASN 15 29.570 15.000 -7.970 -ATOM 185 C ASN 15 26.620 16.290 -8.130 -ATOM 186 O ASN 15 26.800 15.500 -9.070 -ATOM 187 N VAL 16 25.900 15.950 -7.070 -ATOM 188 H VAL 16 25.120 16.830 -6.920 -ATOM 189 CA VAL 16 25.270 14.640 -6.930 -ATOM 190 HA VAL 16 25.670 14.020 -7.860 -ATOM 191 CB VAL 16 25.650 13.970 -5.600 -ATOM 192 HB VAL 16 25.290 14.660 -4.700 -ATOM 193 CG1 VAL 16 24.930 12.660 -5.460 -ATOM 194 2HG1 VAL 16 24.930 12.220 -4.350 -ATOM 195 3HG1 VAL 16 23.760 12.700 -5.680 -ATOM 196 4HG1 VAL 16 25.410 11.790 -6.120 -ATOM 197 CG2 VAL 16 27.140 13.770 -5.560 -ATOM 198 2HG2 VAL 16 27.410 13.010 -4.680 -ATOM 199 3HG2 VAL 16 27.800 13.240 -6.400 -ATOM 200 4HG2 VAL 16 27.660 14.820 -5.350 -ATOM 201 C VAL 16 23.770 14.790 -7.050 -ATOM 202 O VAL 16 23.160 15.590 -6.320 -ATOM 203 N TYR 17 23.180 14.030 -7.960 -ATOM 204 H TYR 17 23.700 13.020 -8.280 -ATOM 205 CA TYR 17 21.740 13.990 -8.160 -ATOM 206 HA TYR 17 21.270 14.470 -7.180 -ATOM 207 CB TYR 17 21.330 14.540 -9.520 -ATOM 208 2HB TYR 17 20.230 14.950 -9.350 -ATOM 209 3HB TYR 17 21.560 13.850 -10.470 -ATOM 210 CG TYR 17 21.880 15.890 -9.850 -ATOM 211 CD1 TYR 17 21.110 17.040 -9.700 -ATOM 212 HD1 TYR 17 20.030 17.050 -10.200 -ATOM 213 CE1 TYR 17 21.620 18.290 -10.000 -ATOM 214 HE1 TYR 17 20.990 19.190 -10.480 -ATOM 215 CZ TYR 17 22.920 18.400 -10.460 -ATOM 216 OH TYR 17 23.490 19.620 -10.770 -ATOM 217 HH TYR 17 23.770 20.370 -11.640 -ATOM 218 CE2 TYR 17 23.690 17.270 -10.610 -ATOM 219 HE2 TYR 17 24.650 17.500 -11.270 -ATOM 220 CD2 TYR 17 23.170 16.030 -10.300 -ATOM 221 HD2 TYR 17 23.800 15.210 -10.880 -ATOM 222 C TYR 17 21.270 12.550 -8.040 -ATOM 223 O TYR 17 22.020 11.620 -8.330 -ATOM 224 N ILE 18 20.010 12.370 -7.660 -ATOM 225 H ILE 18 19.170 13.070 -8.100 -ATOM 226 CA ILE 18 19.470 11.020 -7.480 -ATOM 227 HA ILE 18 20.070 10.330 -8.230 -ATOM 228 CB ILE 18 19.560 10.590 -5.990 -ATOM 229 HB ILE 18 20.690 10.790 -5.690 -ATOM 230 CG2 ILE 18 18.680 11.460 -5.080 -ATOM 231 2HG2 ILE 18 18.870 11.280 -3.920 -ATOM 232 3HG2 ILE 18 18.900 12.600 -5.330 -ATOM 233 4HG2 ILE 18 17.500 11.350 -5.180 -ATOM 234 CG1 ILE 18 19.270 9.110 -5.810 -ATOM 235 2HG1 ILE 18 19.810 8.380 -6.570 -ATOM 236 3HG1 ILE 18 18.090 8.930 -5.830 -ATOM 237 CD ILE 18 19.750 8.620 -4.480 -ATOM 238 2HD ILE 18 19.180 7.620 -4.160 -ATOM 239 3HD ILE 18 20.930 8.440 -4.440 -ATOM 240 4HD ILE 18 19.530 9.200 -3.450 -ATOM 241 C ILE 18 18.050 10.980 -8.010 -ATOM 242 O ILE 18 17.330 11.990 -8.000 -ATOM 243 N LYS 19 17.670 9.810 -8.510 -ATOM 244 H LYS 19 18.260 8.800 -8.370 -ATOM 245 CA LYS 19 16.370 9.570 -9.120 -ATOM 246 HA LYS 19 15.560 10.280 -8.610 -ATOM 247 CB LYS 19 16.350 9.870 -10.620 -ATOM 248 2HB LYS 19 17.080 9.040 -11.070 -ATOM 249 3HB LYS 19 16.690 10.990 -10.790 -ATOM 250 CG LYS 19 15.010 9.700 -11.320 -ATOM 251 2HG LYS 19 14.210 10.480 -10.910 -ATOM 252 3HG LYS 19 14.400 8.680 -11.170 -ATOM 253 CD LYS 19 15.190 9.740 -12.840 -ATOM 254 2HD LYS 19 15.940 8.920 -13.280 -ATOM 255 3HD LYS 19 15.520 10.870 -13.000 -ATOM 256 CE LYS 19 13.890 9.690 -13.600 -ATOM 257 2HE LYS 19 13.040 10.340 -13.040 -ATOM 258 3HE LYS 19 13.210 8.700 -13.600 -ATOM 259 NZ LYS 19 14.020 10.160 -15.010 -ATOM 260 2HZ LYS 19 13.530 9.270 -15.640 -ATOM 261 3HZ LYS 19 13.150 10.970 -15.150 -ATOM 262 4HZ LYS 19 15.050 10.540 -15.480 -ATOM 263 C LYS 19 16.010 8.110 -8.890 -ATOM 264 O LYS 19 16.890 7.250 -8.860 -ATOM 265 N ASN 20 14.720 7.860 -8.700 -ATOM 266 H ASN 20 13.840 8.670 -8.640 -ATOM 267 CA ASN 20 14.180 6.510 -8.580 -ATOM 268 HA ASN 20 14.930 5.870 -7.910 -ATOM 269 CB ASN 20 12.950 6.510 -7.690 -ATOM 270 2HB ASN 20 12.020 6.880 -8.350 -ATOM 271 3HB ASN 20 12.830 7.240 -6.760 -ATOM 272 CG ASN 20 12.500 5.110 -7.300 -ATOM 273 OD1 ASN 20 13.270 4.160 -7.340 -ATOM 274 ND2 ASN 20 11.230 4.980 -6.910 -ATOM 275 2HD2 ASN 20 10.590 4.270 -7.630 -ATOM 276 3HD2 ASN 20 10.500 5.810 -6.500 -ATOM 277 C ASN 20 13.870 6.000 -9.990 -ATOM 278 O ASN 20 12.760 6.140 -10.480 -ATOM 279 N ALA 21 14.860 5.400 -10.640 -ATOM 280 H ALA 21 16.000 5.430 -10.320 -ATOM 281 CA ALA 21 14.630 4.870 -11.970 -ATOM 282 HA ALA 21 13.490 4.530 -11.910 -ATOM 283 CB ALA 21 14.930 5.920 -13.060 -ATOM 284 2HB ALA 21 14.880 5.390 -14.120 -ATOM 285 3HB ALA 21 13.940 6.590 -13.070 -ATOM 286 4HB ALA 21 15.940 6.450 -12.740 -ATOM 287 C ALA 21 15.470 3.620 -12.190 -ATOM 288 O ALA 21 16.420 3.350 -11.460 -ATOM 289 N ASP 22 15.060 2.840 -13.200 -ATOM 290 H ASP 22 13.910 2.530 -13.130 -ATOM 291 CA ASP 22 15.880 1.780 -13.770 -ATOM 292 HA ASP 22 16.130 1.050 -12.870 -ATOM 293 CB ASP 22 14.990 0.920 -14.680 -ATOM 294 2HB ASP 22 14.210 1.430 -15.420 -ATOM 295 3HB ASP 22 14.210 0.210 -14.120 -ATOM 296 CG ASP 22 15.730 -0.250 -15.350 -ATOM 297 OD1 ASP 22 16.980 -0.330 -15.320 -ATOM 298 OD2 ASP 22 15.030 -1.110 -15.930 -ATOM 299 C ASP 22 17.040 2.410 -14.550 -ATOM 300 O ASP 22 16.810 3.220 -15.460 -ATOM 301 N ILE 23 18.280 2.050 -14.200 -ATOM 302 H ILE 23 18.330 1.010 -13.650 -ATOM 303 CA ILE 23 19.430 2.670 -14.860 -ATOM 304 HA ILE 23 19.250 3.800 -14.560 -ATOM 305 CB ILE 23 20.760 2.240 -14.210 -ATOM 306 HB ILE 23 20.640 2.130 -13.030 -ATOM 307 CG2 ILE 23 21.210 0.920 -14.720 -ATOM 308 2HG2 ILE 23 22.030 0.470 -13.980 -ATOM 309 3HG2 ILE 23 20.480 -0.010 -14.520 -ATOM 310 4HG2 ILE 23 21.550 0.840 -15.860 -ATOM 311 CG1 ILE 23 21.870 3.230 -14.580 -ATOM 312 2HG1 ILE 23 21.700 4.220 -13.950 -ATOM 313 3HG1 ILE 23 21.960 3.380 -15.750 -ATOM 314 CD ILE 23 23.240 2.730 -14.250 -ATOM 315 2HD ILE 23 23.990 3.660 -14.340 -ATOM 316 3HD ILE 23 23.200 2.460 -13.090 -ATOM 317 4HD ILE 23 23.800 1.900 -14.900 -ATOM 318 C ILE 23 19.440 2.370 -16.360 -ATOM 319 O ILE 23 20.020 3.140 -17.140 -ATOM 320 N VAL 24 18.820 1.270 -16.790 -ATOM 321 H VAL 24 18.620 0.420 -16.000 -ATOM 322 CA VAL 24 18.840 0.950 -18.210 -ATOM 323 HA VAL 24 19.920 1.210 -18.640 -ATOM 324 CB VAL 24 18.610 -0.550 -18.450 -ATOM 325 HB VAL 24 17.490 -0.960 -18.310 -ATOM 326 CG1 VAL 24 18.980 -0.880 -19.870 -ATOM 327 2HG1 VAL 24 18.270 -1.830 -20.080 -ATOM 328 3HG1 VAL 24 18.640 -0.070 -20.680 -ATOM 329 4HG1 VAL 24 20.140 -1.090 -20.020 -ATOM 330 CG2 VAL 24 19.420 -1.410 -17.510 -ATOM 331 2HG2 VAL 24 19.330 -2.500 -17.980 -ATOM 332 3HG2 VAL 24 20.550 -1.230 -17.160 -ATOM 333 4HG2 VAL 24 18.860 -1.730 -16.490 -ATOM 334 C VAL 24 17.820 1.790 -18.950 -ATOM 335 O VAL 24 18.100 2.340 -20.020 -ATOM 336 N GLU 25 16.620 1.890 -18.390 -ATOM 337 H GLU 25 16.140 0.940 -17.890 -ATOM 338 CA GLU 25 15.640 2.780 -18.980 -ATOM 339 HA GLU 25 15.450 2.650 -20.150 -ATOM 340 CB GLU 25 14.300 2.650 -18.250 -ATOM 341 2HB GLU 25 13.580 3.510 -18.670 -ATOM 342 3HB GLU 25 14.130 2.840 -17.080 -ATOM 343 CG GLU 25 13.600 1.340 -18.590 -ATOM 344 2HG GLU 25 12.410 1.480 -18.480 -ATOM 345 3HG GLU 25 13.700 0.270 -18.080 -ATOM 346 CD GLU 25 13.610 1.030 -20.100 -ATOM 347 OE1 GLU 25 13.870 -0.140 -20.480 -ATOM 348 OE2 GLU 25 13.370 1.950 -20.910 -ATOM 349 C GLU 25 16.150 4.210 -18.990 -ATOM 350 O GLU 25 16.010 4.910 -20.000 -ATOM 351 N GLU 26 16.800 4.640 -17.900 -ATOM 352 H GLU 26 15.920 4.650 -17.100 -ATOM 353 CA GLU 26 17.440 5.950 -17.850 -ATOM 354 HA GLU 26 16.640 6.760 -18.170 -ATOM 355 CB GLU 26 18.190 6.120 -16.530 -ATOM 356 2HB GLU 26 18.970 6.970 -16.820 -ATOM 357 3HB GLU 26 18.770 5.150 -16.160 -ATOM 358 CG GLU 26 17.430 6.830 -15.450 -ATOM 359 2HG GLU 26 18.010 7.220 -14.490 -ATOM 360 3HG GLU 26 16.780 5.920 -15.040 -ATOM 361 CD GLU 26 16.500 7.880 -15.980 -ATOM 362 OE1 GLU 26 16.930 9.050 -16.100 -ATOM 363 OE2 GLU 26 15.330 7.540 -16.280 -ATOM 364 C GLU 26 18.410 6.140 -19.000 -ATOM 365 O GLU 26 18.430 7.190 -19.640 -ATOM 366 N ALA 27 19.260 5.140 -19.250 -ATOM 367 H ALA 27 19.070 4.070 -18.780 -ATOM 368 CA ALA 27 20.290 5.260 -20.280 -ATOM 369 HA ALA 27 20.850 6.280 -20.040 -ATOM 370 CB ALA 27 21.240 4.060 -20.220 -ATOM 371 2HB ALA 27 22.240 4.450 -20.730 -ATOM 372 3HB ALA 27 21.610 3.580 -19.190 -ATOM 373 4HB ALA 27 20.820 3.110 -20.820 -ATOM 374 C ALA 27 19.670 5.380 -21.670 -ATOM 375 O ALA 27 20.030 6.290 -22.430 -ATOM 376 N LYS 28 18.730 4.490 -22.000 -ATOM 377 H LYS 28 18.660 3.410 -21.540 -ATOM 378 CA LYS 28 18.020 4.570 -23.280 -ATOM 379 HA LYS 28 18.770 4.490 -24.200 -ATOM 380 CB LYS 28 16.940 3.490 -23.360 -ATOM 381 2HB LYS 28 16.440 3.730 -24.430 -ATOM 382 3HB LYS 28 15.950 3.690 -22.720 -ATOM 383 CG LYS 28 17.440 2.080 -23.490 -ATOM 384 2HG LYS 28 18.550 1.860 -23.150 -ATOM 385 3HG LYS 28 17.520 1.870 -24.670 -ATOM 386 CD LYS 28 16.380 1.130 -22.970 -ATOM 387 2HD LYS 28 15.430 1.270 -23.690 -ATOM 388 3HD LYS 28 15.900 1.290 -21.890 -ATOM 389 CE LYS 28 16.870 -0.290 -22.940 -ATOM 390 2HE LYS 28 16.670 -0.840 -21.910 -ATOM 391 3HE LYS 28 17.870 -0.480 -23.550 -ATOM 392 NZ LYS 28 15.960 -1.160 -23.730 -ATOM 393 2HZ LYS 28 16.180 -2.340 -23.730 -ATOM 394 3HZ LYS 28 14.800 -1.200 -23.420 -ATOM 395 4HZ LYS 28 15.880 -0.970 -24.920 -ATOM 396 C LYS 28 17.380 5.930 -23.490 -ATOM 397 O LYS 28 17.390 6.450 -24.610 -ATOM 398 N LYS 29 16.810 6.510 -22.440 -ATOM 399 H LYS 29 16.450 5.820 -21.560 -ATOM 400 CA LYS 29 16.090 7.750 -22.640 -ATOM 401 HA LYS 29 15.480 7.680 -23.660 -ATOM 402 CB LYS 29 15.060 7.940 -21.530 -ATOM 403 2HB LYS 29 15.410 7.700 -20.420 -ATOM 404 3HB LYS 29 14.230 7.100 -21.740 -ATOM 405 CG LYS 29 14.260 9.230 -21.680 -ATOM 406 2HG LYS 29 13.110 8.960 -21.880 -ATOM 407 3HG LYS 29 14.350 9.860 -22.700 -ATOM 408 CD LYS 29 14.480 10.150 -20.500 -ATOM 409 2HD LYS 29 13.730 11.010 -20.870 -ATOM 410 3HD LYS 29 15.470 10.820 -20.520 -ATOM 411 CE LYS 29 13.820 9.570 -19.260 -ATOM 412 2HE LYS 29 14.430 8.810 -18.570 -ATOM 413 3HE LYS 29 12.820 8.940 -19.490 -ATOM 414 NZ LYS 29 13.290 10.630 -18.370 -ATOM 415 2HZ LYS 29 12.430 10.200 -17.650 -ATOM 416 3HZ LYS 29 14.240 11.050 -17.790 -ATOM 417 4HZ LYS 29 12.550 11.410 -18.900 -ATOM 418 C LYS 29 17.030 8.950 -22.710 -ATOM 419 O LYS 29 16.810 9.870 -23.490 -ATOM 420 N VAL 30 18.090 8.960 -21.900 -ATOM 421 H VAL 30 18.570 7.950 -21.530 -ATOM 422 CA VAL 30 18.940 10.140 -21.810 -ATOM 423 HA VAL 30 18.340 11.090 -22.190 -ATOM 424 CB VAL 30 19.370 10.310 -20.340 -ATOM 425 HB VAL 30 20.010 9.410 -19.900 -ATOM 426 CG1 VAL 30 20.250 11.520 -20.150 -ATOM 427 2HG1 VAL 30 20.580 11.870 -19.060 -ATOM 428 3HG1 VAL 30 21.300 11.320 -20.700 -ATOM 429 4HG1 VAL 30 19.590 12.410 -20.580 -ATOM 430 CG2 VAL 30 18.100 10.480 -19.460 -ATOM 431 2HG2 VAL 30 18.390 10.460 -18.290 -ATOM 432 3HG2 VAL 30 17.460 11.460 -19.680 -ATOM 433 4HG2 VAL 30 17.340 9.560 -19.460 -ATOM 434 C VAL 30 20.120 10.090 -22.780 -ATOM 435 O VAL 30 20.650 11.150 -23.140 -ATOM 436 N LYS 31 20.480 8.900 -23.280 -ATOM 437 H LYS 31 19.690 8.100 -23.670 -ATOM 438 CA LYS 31 21.610 8.720 -24.180 -ATOM 439 HA LYS 31 21.890 7.590 -24.460 -ATOM 440 CB LYS 31 21.300 9.250 -25.590 -ATOM 441 2HB LYS 31 21.840 8.540 -26.390 -ATOM 442 3HB LYS 31 21.810 10.270 -25.950 -ATOM 443 CG LYS 31 19.800 9.280 -26.050 -ATOM 444 2HG LYS 31 19.140 8.290 -25.940 -ATOM 445 3HG LYS 31 19.880 9.200 -27.250 -ATOM 446 CD LYS 31 19.140 10.690 -25.810 -ATOM 447 2HD LYS 31 19.600 11.350 -26.690 -ATOM 448 3HD LYS 31 19.340 11.430 -24.900 -ATOM 449 CE LYS 31 17.620 10.760 -26.140 -ATOM 450 2HE LYS 31 16.950 9.780 -26.030 -ATOM 451 3HE LYS 31 17.480 10.930 -27.320 -ATOM 452 NZ LYS 31 16.950 11.940 -25.480 -ATOM 453 2HZ LYS 31 15.890 12.070 -26.050 -ATOM 454 3HZ LYS 31 16.550 12.080 -24.360 -ATOM 455 4HZ LYS 31 17.460 12.980 -25.770 -ATOM 456 C LYS 31 22.840 9.430 -23.580 -ATOM 457 O LYS 31 23.290 10.460 -24.110 -ATOM 458 N PRO 32 23.370 8.950 -22.460 -ATOM 459 CA PRO 32 24.420 9.720 -21.780 -ATOM 460 HA PRO 32 24.090 10.860 -21.830 -ATOM 461 CB PRO 32 24.350 9.180 -20.340 -ATOM 462 2HB PRO 32 23.510 9.810 -19.770 -ATOM 463 3HB PRO 32 25.300 9.240 -19.640 -ATOM 464 CG PRO 32 24.000 7.760 -20.540 -ATOM 465 2HG PRO 32 23.390 7.340 -19.620 -ATOM 466 3HG PRO 32 25.020 7.160 -20.590 -ATOM 467 CD PRO 32 23.040 7.720 -21.720 -ATOM 468 2HD PRO 32 21.920 7.870 -21.350 -ATOM 469 3HD PRO 32 23.220 6.840 -22.490 -ATOM 470 C PRO 32 25.790 9.470 -22.380 -ATOM 471 O PRO 32 26.060 8.450 -23.020 -ATOM 472 N THR 33 26.690 10.440 -22.160 -ATOM 473 H THR 33 26.240 11.310 -22.840 -ATOM 474 CA THR 33 28.070 10.240 -22.590 -ATOM 475 HA THR 33 28.020 10.140 -23.770 -ATOM 476 CB THR 33 28.900 11.490 -22.290 -ATOM 477 HB THR 33 29.140 11.750 -21.160 -ATOM 478 CG2 THR 33 30.240 11.440 -23.030 -ATOM 479 2HG2 THR 33 30.910 12.400 -22.760 -ATOM 480 3HG2 THR 33 31.050 10.570 -22.970 -ATOM 481 4HG2 THR 33 30.020 11.760 -24.160 -ATOM 482 OG1 THR 33 28.170 12.660 -22.690 -ATOM 483 HG1 THR 33 28.000 13.460 -23.550 -ATOM 484 C THR 33 28.670 9.020 -21.900 -ATOM 485 O THR 33 29.260 8.150 -22.560 -ATOM 486 N VAL 34 28.500 8.900 -20.580 -ATOM 487 H VAL 34 27.720 9.570 -19.990 -ATOM 488 CA VAL 34 29.070 7.830 -19.760 -ATOM 489 HA VAL 34 29.580 7.060 -20.500 -ATOM 490 CB VAL 34 30.180 8.350 -18.840 -ATOM 491 HB VAL 34 29.770 9.200 -18.120 -ATOM 492 CG1 VAL 34 30.730 7.230 -17.950 -ATOM 493 2HG1 VAL 34 31.660 7.600 -17.310 -ATOM 494 3HG1 VAL 34 29.950 6.730 -17.210 -ATOM 495 4HG1 VAL 34 31.220 6.440 -18.700 -ATOM 496 CG2 VAL 34 31.290 9.030 -19.630 -ATOM 497 2HG2 VAL 34 32.230 9.280 -18.950 -ATOM 498 3HG2 VAL 34 31.790 8.390 -20.500 -ATOM 499 4HG2 VAL 34 30.940 10.080 -20.070 -ATOM 500 C VAL 34 27.970 7.200 -18.900 -ATOM 501 O VAL 34 27.300 7.900 -18.150 -ATOM 502 N VAL 35 27.830 5.880 -18.980 -ATOM 503 H VAL 35 28.170 5.260 -19.920 -ATOM 504 CA VAL 35 27.050 5.120 -18.000 -ATOM 505 HA VAL 35 26.620 5.960 -17.280 -ATOM 506 CB VAL 35 25.940 4.280 -18.640 -ATOM 507 HB VAL 35 25.310 4.960 -19.380 -ATOM 508 CG1 VAL 35 26.510 3.090 -19.430 -ATOM 509 2HG1 VAL 35 25.580 2.570 -19.990 -ATOM 510 3HG1 VAL 35 27.210 3.210 -20.390 -ATOM 511 4HG1 VAL 35 26.970 2.170 -18.830 -ATOM 512 CG2 VAL 35 25.020 3.770 -17.560 -ATOM 513 2HG2 VAL 35 24.040 3.400 -18.140 -ATOM 514 3HG2 VAL 35 25.370 2.750 -17.050 -ATOM 515 4HG2 VAL 35 24.670 4.500 -16.690 -ATOM 516 C VAL 35 28.000 4.230 -17.190 -ATOM 517 O VAL 35 28.850 3.550 -17.760 -ATOM 518 N VAL 36 27.860 4.270 -15.880 -ATOM 519 H VAL 36 26.780 4.130 -15.440 -ATOM 520 CA VAL 36 28.730 3.490 -15.000 -ATOM 521 HA VAL 36 29.770 3.500 -15.560 -ATOM 522 CB VAL 36 28.880 4.180 -13.630 -ATOM 523 HB VAL 36 27.800 4.190 -13.140 -ATOM 524 CG1 VAL 36 29.730 3.340 -12.720 -ATOM 525 2HG1 VAL 36 29.710 3.790 -11.610 -ATOM 526 3HG1 VAL 36 29.370 2.230 -12.490 -ATOM 527 4HG1 VAL 36 30.850 3.290 -13.120 -ATOM 528 CG2 VAL 36 29.460 5.550 -13.800 -ATOM 529 2HG2 VAL 36 29.710 6.080 -12.760 -ATOM 530 3HG2 VAL 36 30.510 5.500 -14.370 -ATOM 531 4HG2 VAL 36 28.730 6.230 -14.440 -ATOM 532 C VAL 36 28.130 2.110 -14.840 -ATOM 533 O VAL 36 26.910 1.950 -14.760 -ATOM 534 N ASN 37 28.980 1.100 -14.850 -ATOM 535 H ASN 37 29.720 1.160 -15.770 -ATOM 536 CA ASN 37 28.570 -0.260 -14.580 -ATOM 537 HA ASN 37 27.390 -0.260 -14.480 -ATOM 538 CB ASN 37 28.950 -1.210 -15.720 -ATOM 539 2HB ASN 37 30.040 -1.140 -16.190 -ATOM 540 3HB ASN 37 28.240 -1.150 -16.670 -ATOM 541 CG ASN 37 28.760 -2.650 -15.340 -ATOM 542 OD1 ASN 37 27.820 -2.980 -14.640 -ATOM 543 ND2 ASN 37 29.660 -3.510 -15.800 -ATOM 544 2HD2 ASN 37 29.560 -4.480 -15.120 -ATOM 545 3HD2 ASN 37 30.540 -3.840 -16.500 -ATOM 546 C ASN 37 29.230 -0.690 -13.280 -ATOM 547 O ASN 37 30.430 -0.470 -13.090 -ATOM 548 N ALA 38 28.450 -1.270 -12.390 -ATOM 549 H ALA 38 27.330 -1.620 -12.560 -ATOM 550 CA ALA 38 28.960 -1.810 -11.130 -ATOM 551 HA ALA 38 29.660 -0.970 -10.670 -ATOM 552 CB ALA 38 27.840 -1.910 -10.110 -ATOM 553 2HB ALA 38 28.330 -2.170 -9.060 -ATOM 554 3HB ALA 38 27.340 -0.840 -9.940 -ATOM 555 4HB ALA 38 27.020 -2.740 -10.350 -ATOM 556 C ALA 38 29.560 -3.180 -11.430 -ATOM 557 O ALA 38 28.850 -4.190 -11.440 -ATOM 558 N ALA 39 30.860 -3.210 -11.670 -ATOM 559 H ALA 39 31.380 -2.160 -11.790 -ATOM 560 CA ALA 39 31.540 -4.350 -12.270 -ATOM 561 HA ALA 39 30.690 -5.060 -12.700 -ATOM 562 CB ALA 39 32.510 -3.870 -13.350 -ATOM 563 2HB ALA 39 32.670 -4.890 -13.950 -ATOM 564 3HB ALA 39 31.820 -3.140 -13.990 -ATOM 565 4HB ALA 39 33.510 -3.320 -13.020 -ATOM 566 C ALA 39 32.300 -5.160 -11.230 -ATOM 567 O ALA 39 32.610 -4.690 -10.130 -ATOM 568 N ASN 40 32.610 -6.410 -11.590 -ATOM 569 H ASN 40 31.870 -6.980 -12.330 -ATOM 570 CA ASN 40 33.580 -7.210 -10.870 -ATOM 571 HA ASN 40 33.780 -6.810 -9.770 -ATOM 572 CB ASN 40 33.060 -8.640 -10.620 -ATOM 573 2HB ASN 40 32.080 -8.460 -9.960 -ATOM 574 3HB ASN 40 33.560 -9.580 -10.080 -ATOM 575 CG ASN 40 32.610 -9.350 -11.880 -ATOM 576 OD1 ASN 40 33.290 -9.350 -12.900 -ATOM 577 ND2 ASN 40 31.460 -10.010 -11.790 -ATOM 578 2HD2 ASN 40 30.340 -10.110 -12.160 -ATOM 579 3HD2 ASN 40 31.470 -10.820 -10.910 -ATOM 580 C ASN 40 34.910 -7.210 -11.640 -ATOM 581 O ASN 40 35.030 -6.620 -12.710 -ATOM 582 N VAL 41 35.920 -7.890 -11.080 -ATOM 583 H VAL 41 35.600 -8.800 -10.390 -ATOM 584 CA VAL 41 37.280 -7.740 -11.600 -ATOM 585 HA VAL 41 37.400 -6.600 -11.910 -ATOM 586 CB VAL 41 38.300 -8.250 -10.580 -ATOM 587 HB VAL 41 39.350 -8.490 -11.090 -ATOM 588 CG1 VAL 41 38.520 -7.210 -9.510 -ATOM 589 2HG1 VAL 41 39.550 -7.530 -8.980 -ATOM 590 3HG1 VAL 41 38.790 -6.120 -9.910 -ATOM 591 4HG1 VAL 41 37.680 -7.350 -8.670 -ATOM 592 CG2 VAL 41 37.850 -9.550 -9.950 -ATOM 593 2HG2 VAL 41 38.820 -9.960 -9.360 -ATOM 594 3HG2 VAL 41 37.120 -10.010 -9.110 -ATOM 595 4HG2 VAL 41 37.780 -10.450 -10.740 -ATOM 596 C VAL 41 37.450 -8.420 -12.970 -ATOM 597 O VAL 41 38.290 -7.980 -13.770 -ATOM 598 N TYR 42 36.690 -9.470 -13.260 -ATOM 599 H TYR 42 35.970 -10.050 -12.510 -ATOM 600 CA TYR 42 36.780 -10.180 -14.530 -ATOM 601 HA TYR 42 37.830 -10.040 -15.060 -ATOM 602 CB TYR 42 36.690 -11.690 -14.290 -ATOM 603 2HB TYR 42 36.680 -12.390 -15.250 -ATOM 604 3HB TYR 42 35.750 -12.070 -13.660 -ATOM 605 CG TYR 42 37.900 -12.240 -13.550 -ATOM 606 CD1 TYR 42 39.160 -12.220 -14.140 -ATOM 607 HD1 TYR 42 39.130 -12.810 -15.180 -ATOM 608 CE1 TYR 42 40.270 -12.710 -13.480 -ATOM 609 HE1 TYR 42 41.040 -13.370 -14.100 -ATOM 610 CZ TYR 42 40.130 -13.210 -12.200 -ATOM 611 OH TYR 42 41.260 -13.680 -11.560 -ATOM 612 HH TYR 42 42.120 -14.260 -10.990 -ATOM 613 CE2 TYR 42 38.880 -13.230 -11.580 -ATOM 614 HE2 TYR 42 38.820 -13.880 -10.580 -ATOM 615 CD2 TYR 42 37.780 -12.750 -12.260 -ATOM 616 HD2 TYR 42 36.890 -13.390 -11.800 -ATOM 617 C TYR 42 35.710 -9.750 -15.530 -ATOM 618 O TYR 42 35.610 -10.340 -16.620 -ATOM 619 N LEU 43 34.930 -8.720 -15.190 -ATOM 620 H LEU 43 35.250 -7.960 -14.350 -ATOM 621 CA LEU 43 33.910 -8.160 -16.080 -ATOM 622 HA LEU 43 33.090 -7.600 -15.430 -ATOM 623 CB LEU 43 34.550 -7.480 -17.300 -ATOM 624 2HB LEU 43 33.580 -7.140 -17.900 -ATOM 625 3HB LEU 43 35.130 -8.300 -17.940 -ATOM 626 CG LEU 43 35.260 -6.170 -17.010 -ATOM 627 HG LEU 43 36.230 -6.280 -16.340 -ATOM 628 CD1 LEU 43 35.570 -5.390 -18.290 -ATOM 629 2HD1 LEU 43 36.470 -4.650 -18.060 -ATOM 630 3HD1 LEU 43 35.980 -6.070 -19.190 -ATOM 631 4HD1 LEU 43 34.630 -4.780 -18.710 -ATOM 632 CD2 LEU 43 34.410 -5.320 -16.070 -ATOM 633 2HD2 LEU 43 35.020 -4.300 -15.980 -ATOM 634 3HD2 LEU 43 33.310 -5.040 -16.420 -ATOM 635 4HD2 LEU 43 34.500 -5.690 -14.940 -ATOM 636 C LEU 43 32.910 -9.220 -16.530 -ATOM 637 O LEU 43 32.580 -9.320 -17.710 -ATOM 638 N LYS 44 32.430 -10.030 -15.580 -ATOM 639 H LYS 44 33.110 -10.370 -14.680 -ATOM 640 CA LYS 44 31.360 -10.980 -15.870 -ATOM 641 HA LYS 44 31.390 -11.360 -17.000 -ATOM 642 CB LYS 44 31.580 -12.320 -15.180 -ATOM 643 2HB LYS 44 30.870 -13.110 -15.740 -ATOM 644 3HB LYS 44 30.900 -12.310 -14.200 -ATOM 645 CG LYS 44 32.960 -12.940 -15.360 -ATOM 646 2HG LYS 44 33.950 -12.410 -15.750 -ATOM 647 3HG LYS 44 32.900 -13.700 -16.290 -ATOM 648 CD LYS 44 33.230 -13.890 -14.210 -ATOM 649 2HD LYS 44 34.350 -14.320 -14.220 -ATOM 650 3HD LYS 44 32.690 -14.940 -14.380 -ATOM 651 CE LYS 44 32.670 -13.350 -12.890 -ATOM 652 2HE LYS 44 31.580 -13.800 -12.640 -ATOM 653 3HE LYS 44 32.930 -12.200 -12.710 -ATOM 654 NZ LYS 44 33.340 -13.860 -11.670 -ATOM 655 2HZ LYS 44 32.800 -13.570 -10.640 -ATOM 656 3HZ LYS 44 33.270 -15.060 -11.610 -ATOM 657 4HZ LYS 44 34.490 -13.680 -11.390 -ATOM 658 C LYS 44 30.050 -10.350 -15.430 -ATOM 659 O LYS 44 29.760 -10.280 -14.240 -ATOM 660 N HID 45 29.240 -9.910 -16.390 -ATOM 661 H HID 45 29.170 -10.450 -17.430 -ATOM 662 CA HID 45 27.980 -9.230 -16.110 -ATOM 663 HA HID 45 28.040 -8.730 -15.030 -ATOM 664 CB HID 45 27.670 -8.260 -17.230 -ATOM 665 2HB HID 45 26.940 -7.340 -17.130 -ATOM 666 3HB HID 45 27.310 -8.980 -18.110 -ATOM 667 CG HID 45 28.880 -7.550 -17.740 -ATOM 668 ND1 HID 45 29.840 -7.030 -16.900 -ATOM 669 HD1 HID 45 30.190 -7.160 -15.780 -ATOM 670 CE1 HID 45 30.790 -6.470 -17.630 -ATOM 671 HE1 HID 45 31.580 -5.590 -17.640 -ATOM 672 NE2 HID 45 30.500 -6.630 -18.910 -ATOM 673 CD2 HID 45 29.310 -7.310 -19.000 -ATOM 674 HD2 HID 45 28.620 -7.400 -19.960 -ATOM 675 C HID 45 26.870 -10.240 -15.890 -ATOM 676 O HID 45 25.970 -10.430 -16.710 -ATOM 677 N GLY 46 26.950 -10.910 -14.760 -ATOM 678 H GLY 46 27.780 -11.280 -14.000 -ATOM 679 CA GLY 46 25.880 -11.800 -14.350 -ATOM 680 2HA GLY 46 26.210 -12.840 -13.860 -ATOM 681 3HA GLY 46 25.310 -12.290 -15.280 -ATOM 682 C GLY 46 25.080 -11.200 -13.220 -ATOM 683 O GLY 46 25.590 -11.040 -12.110 -ATOM 684 N GLY 47 23.840 -10.830 -13.490 -ATOM 685 H GLY 47 23.230 -11.600 -14.180 -ATOM 686 CA GLY 47 22.960 -10.310 -12.480 -ATOM 687 2HA GLY 47 22.960 -11.030 -11.520 -ATOM 688 3HA GLY 47 21.830 -10.380 -12.870 -ATOM 689 C GLY 47 23.290 -8.870 -12.120 -ATOM 690 O GLY 47 24.300 -8.310 -12.520 -ATOM 691 N GLY 48 22.390 -8.270 -11.340 -ATOM 692 H GLY 48 21.460 -8.850 -10.870 -ATOM 693 CA GLY 48 22.510 -6.890 -10.930 -ATOM 694 2HA GLY 48 23.290 -6.810 -10.030 -ATOM 695 3HA GLY 48 21.430 -6.650 -10.470 -ATOM 696 C GLY 48 22.570 -5.920 -12.110 -ATOM 697 O GLY 48 22.180 -6.220 -13.240 -ATOM 698 N VAL 49 23.110 -4.730 -11.810 -ATOM 699 H VAL 49 22.690 -4.520 -10.710 -ATOM 700 CA VAL 49 23.230 -3.660 -12.800 -ATOM 701 HA VAL 49 22.100 -3.500 -13.160 -ATOM 702 CB VAL 49 23.850 -2.400 -12.160 -ATOM 703 HB VAL 49 24.790 -2.740 -11.510 -ATOM 704 CG1 VAL 49 24.360 -1.430 -13.210 -ATOM 705 2HG1 VAL 49 24.510 -0.280 -12.960 -ATOM 706 3HG1 VAL 49 25.370 -1.830 -13.700 -ATOM 707 4HG1 VAL 49 23.540 -1.400 -14.070 -ATOM 708 CG2 VAL 49 22.860 -1.720 -11.290 -ATOM 709 2HG2 VAL 49 23.310 -0.780 -10.710 -ATOM 710 3HG2 VAL 49 21.920 -1.340 -11.920 -ATOM 711 4HG2 VAL 49 22.470 -2.360 -10.370 -ATOM 712 C VAL 49 24.030 -4.130 -14.000 -ATOM 713 O VAL 49 23.710 -3.810 -15.150 -ATOM 714 N ALA 50 25.100 -4.900 -13.760 -ATOM 715 H ALA 50 25.420 -5.140 -12.640 -ATOM 716 CA ALA 50 25.950 -5.330 -14.870 -ATOM 717 HA ALA 50 26.270 -4.440 -15.580 -ATOM 718 CB ALA 50 27.190 -6.040 -14.340 -ATOM 719 2HB ALA 50 27.900 -6.240 -15.270 -ATOM 720 3HB ALA 50 27.810 -5.410 -13.540 -ATOM 721 4HB ALA 50 27.030 -7.000 -13.640 -ATOM 722 C ALA 50 25.170 -6.220 -15.830 -ATOM 723 O ALA 50 25.210 -6.020 -17.050 -ATOM 724 N GLY 51 24.440 -7.200 -15.300 -ATOM 725 H GLY 51 24.920 -7.840 -14.430 -ATOM 726 CA GLY 51 23.670 -8.080 -16.160 -ATOM 727 2HA GLY 51 23.080 -8.910 -15.530 -ATOM 728 3HA GLY 51 24.200 -8.780 -16.970 -ATOM 729 C GLY 51 22.520 -7.360 -16.830 -ATOM 730 O GLY 51 22.200 -7.620 -17.990 -ATOM 731 N ALA 52 21.880 -6.440 -16.100 -ATOM 732 H ALA 52 21.330 -7.090 -15.260 -ATOM 733 CA ALA 52 20.790 -5.680 -16.680 -ATOM 734 HA ALA 52 19.860 -6.330 -17.060 -ATOM 735 CB ALA 52 20.150 -4.790 -15.600 -ATOM 736 2HB ALA 52 19.060 -4.500 -16.000 -ATOM 737 3HB ALA 52 19.790 -5.350 -14.610 -ATOM 738 4HB ALA 52 20.630 -3.760 -15.230 -ATOM 739 C ALA 52 21.270 -4.850 -17.860 -ATOM 740 O ALA 52 20.640 -4.840 -18.930 -ATOM 741 N LEU 53 22.410 -4.170 -17.710 -ATOM 742 H LEU 53 23.080 -4.500 -16.790 -ATOM 743 CA LEU 53 22.970 -3.400 -18.810 -ATOM 744 HA LEU 53 22.050 -2.810 -19.260 -ATOM 745 CB LEU 53 24.180 -2.580 -18.340 -ATOM 746 2HB LEU 53 24.680 -2.230 -19.360 -ATOM 747 3HB LEU 53 25.010 -3.340 -17.940 -ATOM 748 CG LEU 53 23.990 -1.360 -17.450 -ATOM 749 HG LEU 53 23.280 -1.640 -16.530 -ATOM 750 CD1 LEU 53 25.350 -0.880 -17.030 -ATOM 751 2HD1 LEU 53 25.260 0.020 -16.250 -ATOM 752 3HD1 LEU 53 25.900 -1.780 -16.470 -ATOM 753 4HD1 LEU 53 26.080 -0.480 -17.890 -ATOM 754 CD2 LEU 53 23.260 -0.280 -18.190 -ATOM 755 2HD2 LEU 53 23.030 0.680 -17.520 -ATOM 756 3HD2 LEU 53 24.040 0.220 -18.950 -ATOM 757 4HD2 LEU 53 22.210 -0.510 -18.710 -ATOM 758 C LEU 53 23.400 -4.300 -19.960 -ATOM 759 O LEU 53 23.190 -3.970 -21.130 -ATOM 760 N ASN 54 24.010 -5.440 -19.640 -ATOM 761 H ASN 54 23.730 -6.030 -18.650 -ATOM 762 CA ASN 54 24.500 -6.330 -20.680 -ATOM 763 HA ASN 54 25.160 -5.560 -21.300 -ATOM 764 CB ASN 54 25.280 -7.490 -20.070 -ATOM 765 2HB ASN 54 24.750 -8.160 -19.240 -ATOM 766 3HB ASN 54 26.220 -6.920 -19.620 -ATOM 767 CG ASN 54 25.840 -8.420 -21.120 -ATOM 768 OD1 ASN 54 26.370 -7.970 -22.140 -ATOM 769 ND2 ASN 54 25.710 -9.720 -20.880 -ATOM 770 2HD2 ASN 54 25.600 -10.770 -21.440 -ATOM 771 3HD2 ASN 54 25.330 -10.230 -19.870 -ATOM 772 C ASN 54 23.350 -6.850 -21.530 -ATOM 773 O ASN 54 23.420 -6.840 -22.760 -ATOM 774 N LYS 55 22.280 -7.300 -20.880 -ATOM 775 H LYS 55 22.640 -8.300 -20.330 -ATOM 776 CA LYS 55 21.100 -7.760 -21.620 -ATOM 777 HA LYS 55 21.290 -8.700 -22.340 -ATOM 778 CB LYS 55 19.990 -8.170 -20.640 -ATOM 779 2HB LYS 55 18.950 -8.060 -21.220 -ATOM 780 3HB LYS 55 19.840 -7.480 -19.680 -ATOM 781 CG LYS 55 20.020 -9.630 -20.260 -ATOM 782 2HG LYS 55 21.040 -10.240 -20.170 -ATOM 783 3HG LYS 55 19.530 -10.250 -21.170 -ATOM 784 CD LYS 55 19.110 -9.920 -19.080 -ATOM 785 2HD LYS 55 18.350 -10.780 -19.420 -ATOM 786 3HD LYS 55 18.310 -9.100 -18.720 -ATOM 787 CE LYS 55 19.900 -10.480 -17.890 -ATOM 788 2HE LYS 55 20.740 -9.780 -17.400 -ATOM 789 3HE LYS 55 20.420 -11.530 -18.160 -ATOM 790 NZ LYS 55 19.030 -10.880 -16.730 -ATOM 791 2HZ LYS 55 19.630 -11.390 -15.830 -ATOM 792 3HZ LYS 55 18.390 -10.020 -16.200 -ATOM 793 4HZ LYS 55 18.210 -11.720 -16.970 -ATOM 794 C LYS 55 20.600 -6.700 -22.580 -ATOM 795 O LYS 55 20.250 -7.010 -23.730 -ATOM 796 N ALA 56 20.580 -5.440 -22.160 -ATOM 797 H ALA 56 19.890 -5.430 -21.190 -ATOM 798 CA ALA 56 20.040 -4.410 -23.040 -ATOM 799 HA ALA 56 19.020 -4.780 -23.540 -ATOM 800 CB ALA 56 19.770 -3.140 -22.250 -ATOM 801 2HB ALA 56 19.250 -2.450 -23.080 -ATOM 802 3HB ALA 56 18.820 -3.450 -21.590 -ATOM 803 4HB ALA 56 20.750 -2.850 -21.650 -ATOM 804 C ALA 56 20.940 -4.090 -24.220 -ATOM 805 O ALA 56 20.540 -3.330 -25.100 -ATOM 806 N THR 57 22.160 -4.630 -24.250 -ATOM 807 H THR 57 22.640 -4.810 -23.200 -ATOM 808 CA THR 57 22.990 -4.570 -25.450 -ATOM 809 HA THR 57 22.550 -3.990 -26.390 -ATOM 810 CB THR 57 24.420 -4.160 -25.080 -ATOM 811 HB THR 57 24.960 -4.040 -26.140 -ATOM 812 CG2 THR 57 24.430 -2.800 -24.420 -ATOM 813 2HG2 THR 57 25.570 -2.570 -24.160 -ATOM 814 3HG2 THR 57 23.950 -1.990 -25.150 -ATOM 815 4HG2 THR 57 23.930 -2.800 -23.340 -ATOM 816 OG1 THR 57 25.020 -5.130 -24.200 -ATOM 817 HG1 THR 57 25.360 -6.260 -24.140 -ATOM 818 C THR 57 22.980 -5.900 -26.210 -ATOM 819 O THR 57 23.820 -6.100 -27.090 -ATOM 820 N ASN 58 22.030 -6.780 -25.890 -ATOM 821 H ASN 58 20.940 -6.320 -25.810 -ATOM 822 CA ASN 58 21.960 -8.140 -26.440 -ATOM 823 HA ASN 58 21.280 -8.930 -25.860 -ATOM 824 CB ASN 58 21.390 -8.120 -27.860 -ATOM 825 2HB ASN 58 21.050 -9.190 -28.280 -ATOM 826 3HB ASN 58 22.070 -7.730 -28.760 -ATOM 827 CG ASN 58 20.140 -7.280 -27.950 -ATOM 828 OD1 ASN 58 20.040 -6.380 -28.780 -ATOM 829 ND2 ASN 58 19.190 -7.540 -27.060 -ATOM 830 2HD2 ASN 58 18.290 -6.760 -26.950 -ATOM 831 3HD2 ASN 58 18.700 -8.590 -26.790 -ATOM 832 C ASN 58 23.330 -8.810 -26.390 -ATOM 833 O ASN 58 23.820 -9.380 -27.370 -ATOM 834 N ASN 59 23.940 -8.710 -25.220 -ATOM 835 H ASN 59 23.160 -8.970 -24.350 -ATOM 836 CA ASN 59 25.210 -9.330 -24.870 -ATOM 837 HA ASN 59 25.310 -9.150 -23.700 -ATOM 838 CB ASN 59 25.150 -10.850 -25.010 -ATOM 839 2HB ASN 59 25.210 -11.270 -26.130 -ATOM 840 3HB ASN 59 24.150 -11.430 -24.680 -ATOM 841 CG ASN 59 26.150 -11.550 -24.130 -ATOM 842 OD1 ASN 59 25.840 -11.960 -23.000 -ATOM 843 ND2 ASN 59 27.360 -11.740 -24.640 -ATOM 844 2HD2 ASN 59 27.990 -12.610 -24.120 -ATOM 845 3HD2 ASN 59 27.270 -12.260 -25.710 -ATOM 846 C ASN 59 26.390 -8.770 -25.660 -ATOM 847 O ASN 59 27.470 -9.340 -25.600 -ATOM 848 N ALA 60 26.210 -7.660 -26.370 -ATOM 849 H ALA 60 25.580 -7.980 -27.330 -ATOM 850 CA ALA 60 27.370 -7.020 -27.000 -ATOM 851 HA ALA 60 27.930 -7.690 -27.820 -ATOM 852 CB ALA 60 26.920 -5.810 -27.810 -ATOM 853 2HB ALA 60 27.850 -5.560 -28.530 -ATOM 854 3HB ALA 60 26.150 -6.150 -28.680 -ATOM 855 4HB ALA 60 26.530 -4.690 -27.640 -ATOM 856 C ALA 60 28.410 -6.620 -25.960 -ATOM 857 O ALA 60 29.610 -6.840 -26.150 -ATOM 858 N MET 61 27.950 -6.040 -24.840 -ATOM 859 H MET 61 27.430 -5.030 -25.190 -ATOM 860 CA MET 61 28.840 -5.610 -23.770 -ATOM 861 HA MET 61 29.670 -4.850 -24.140 -ATOM 862 CB MET 61 28.020 -5.000 -22.630 -ATOM 863 2HB MET 61 27.300 -5.790 -22.110 -ATOM 864 3HB MET 61 27.440 -4.020 -22.960 -ATOM 865 CG MET 61 28.840 -4.490 -21.450 -ATOM 866 2HG MET 61 29.690 -3.740 -21.800 -ATOM 867 3HG MET 61 29.290 -5.190 -20.610 -ATOM 868 SD MET 61 27.830 -3.740 -20.130 -ATOM 869 CE MET 61 27.480 -2.120 -20.850 -ATOM 870 2HE MET 61 27.350 -1.690 -19.760 -ATOM 871 3HE MET 61 28.410 -1.620 -21.380 -ATOM 872 4HE MET 61 26.510 -2.050 -21.550 -ATOM 873 C MET 61 29.690 -6.770 -23.260 -ATOM 874 O MET 61 30.930 -6.670 -23.200 -ATOM 875 N GLN 62 29.050 -7.890 -22.900 -ATOM 876 H GLN 62 28.020 -8.090 -23.450 -ATOM 877 CA GLN 62 29.770 -9.040 -22.360 -ATOM 878 HA GLN 62 30.200 -8.650 -21.330 -ATOM 879 CB GLN 62 28.810 -10.180 -22.060 -ATOM 880 2HB GLN 62 28.310 -10.520 -23.070 -ATOM 881 3HB GLN 62 28.110 -9.920 -21.130 -ATOM 882 CG GLN 62 29.470 -11.400 -21.470 -ATOM 883 2HG GLN 62 30.020 -12.170 -22.200 -ATOM 884 3HG GLN 62 28.700 -12.220 -21.060 -ATOM 885 CD GLN 62 30.160 -11.090 -20.150 -ATOM 886 OE1 GLN 62 29.550 -11.170 -19.080 -ATOM 887 NE2 GLN 62 31.440 -10.730 -20.230 -ATOM 888 2HE2 GLN 62 31.900 -11.420 -21.080 -ATOM 889 3HE2 GLN 62 32.160 -10.880 -19.290 -ATOM 890 C GLN 62 30.860 -9.520 -23.310 -ATOM 891 O GLN 62 31.930 -9.970 -22.860 -ATOM 892 N VAL 63 30.620 -9.440 -24.630 -ATOM 893 H VAL 63 29.660 -8.990 -25.140 -ATOM 894 CA VAL 63 31.620 -9.900 -25.600 -ATOM 895 HA VAL 63 32.000 -10.990 -25.290 -ATOM 896 CB VAL 63 30.990 -10.060 -27.000 -ATOM 897 HB VAL 63 30.690 -9.150 -27.710 -ATOM 898 CG1 VAL 63 32.000 -10.720 -27.920 -ATOM 899 2HG1 VAL 63 31.660 -10.870 -29.060 -ATOM 900 3HG1 VAL 63 33.010 -10.130 -28.180 -ATOM 901 4HG1 VAL 63 32.390 -11.820 -27.670 -ATOM 902 CG2 VAL 63 29.720 -10.870 -26.940 -ATOM 903 2HG2 VAL 63 29.660 -11.480 -27.990 -ATOM 904 3HG2 VAL 63 29.850 -11.850 -26.260 -ATOM 905 4HG2 VAL 63 28.620 -10.440 -27.080 -ATOM 906 C VAL 63 32.810 -8.960 -25.630 -ATOM 907 O VAL 63 33.970 -9.390 -25.580 -ATOM 908 N GLU 64 32.550 -7.650 -25.750 -ATOM 909 H GLU 64 32.020 -7.410 -26.780 -ATOM 910 CA GLU 64 33.640 -6.680 -25.690 -ATOM 911 HA GLU 64 34.440 -6.850 -26.560 -ATOM 912 CB GLU 64 33.100 -5.270 -25.910 -ATOM 913 2HB GLU 64 32.130 -5.090 -25.250 -ATOM 914 3HB GLU 64 32.820 -5.120 -27.070 -ATOM 915 CG GLU 64 34.120 -4.180 -25.590 -ATOM 916 2HG GLU 64 34.700 -4.030 -26.620 -ATOM 917 3HG GLU 64 35.060 -4.260 -24.860 -ATOM 918 CD GLU 64 33.490 -2.810 -25.510 -ATOM 919 OE1 GLU 64 32.290 -2.740 -25.140 -ATOM 920 OE2 GLU 64 34.180 -1.820 -25.840 -ATOM 921 C GLU 64 34.380 -6.750 -24.360 -ATOM 922 O GLU 64 35.620 -6.630 -24.310 -ATOM 923 N SER 65 33.650 -6.930 -23.250 -ATOM 924 H SER 65 32.680 -7.610 -23.280 -ATOM 925 CA SER 65 34.270 -7.090 -21.950 -ATOM 926 HA SER 65 34.860 -6.080 -21.730 -ATOM 927 CB SER 65 33.190 -7.310 -20.890 -ATOM 928 2HB SER 65 33.860 -7.780 -20.020 -ATOM 929 3HB SER 65 32.340 -8.140 -20.930 -ATOM 930 OG SER 65 32.460 -6.130 -20.660 -ATOM 931 HG SER 65 32.090 -5.020 -20.830 -ATOM 932 C SER 65 35.240 -8.250 -21.950 -ATOM 933 O SER 65 36.390 -8.120 -21.520 -ATOM 934 N ASP 66 34.790 -9.400 -22.450 -ATOM 935 H ASP 66 34.000 -9.600 -23.300 -ATOM 936 CA ASP 66 35.610 -10.600 -22.410 -ATOM 937 HA ASP 66 35.980 -10.860 -21.310 -ATOM 938 CB ASP 66 34.790 -11.780 -22.890 -ATOM 939 2HB ASP 66 35.530 -12.730 -22.890 -ATOM 940 3HB ASP 66 34.270 -12.000 -23.940 -ATOM 941 CG ASP 66 33.870 -12.310 -21.820 -ATOM 942 OD1 ASP 66 33.990 -11.840 -20.650 -ATOM 943 OD2 ASP 66 33.040 -13.190 -22.130 -ATOM 944 C ASP 66 36.870 -10.430 -23.230 -ATOM 945 O ASP 66 37.930 -10.950 -22.840 -ATOM 946 N ASP 67 36.800 -9.700 -24.350 -ATOM 947 H ASP 67 36.250 -10.480 -25.070 -ATOM 948 CA ASP 67 38.020 -9.440 -25.100 -ATOM 949 HA ASP 67 38.550 -10.460 -25.420 -ATOM 950 CB ASP 67 37.690 -8.780 -26.440 -ATOM 951 2HB ASP 67 38.050 -7.660 -26.690 -ATOM 952 3HB ASP 67 36.590 -8.830 -26.900 -ATOM 953 CG ASP 67 38.500 -9.360 -27.600 -ATOM 954 OD1 ASP 67 37.870 -9.850 -28.570 -ATOM 955 OD2 ASP 67 39.760 -9.340 -27.550 -ATOM 956 C ASP 67 38.980 -8.580 -24.290 -ATOM 957 O ASP 67 40.190 -8.820 -24.310 -ATOM 958 N TYR 68 38.450 -7.600 -23.560 -ATOM 959 H TYR 68 37.990 -6.860 -24.370 -ATOM 960 CA TYR 68 39.290 -6.740 -22.740 -ATOM 961 HA TYR 68 40.100 -6.230 -23.460 -ATOM 962 CB TYR 68 38.460 -5.620 -22.110 -ATOM 963 2HB TYR 68 37.510 -5.940 -21.470 -ATOM 964 3HB TYR 68 38.110 -4.910 -23.000 -ATOM 965 CG TYR 68 39.280 -4.700 -21.210 -ATOM 966 CD1 TYR 68 39.780 -3.480 -21.700 -ATOM 967 HD1 TYR 68 39.910 -3.120 -22.820 -ATOM 968 CE1 TYR 68 40.540 -2.640 -20.880 -ATOM 969 HE1 TYR 68 41.030 -1.650 -21.320 -ATOM 970 CZ TYR 68 40.800 -3.030 -19.570 -ATOM 971 OH TYR 68 41.550 -2.220 -18.750 -ATOM 972 HH TYR 68 42.500 -1.540 -18.570 -ATOM 973 CE2 TYR 68 40.320 -4.230 -19.080 -ATOM 974 HE2 TYR 68 41.020 -4.740 -18.270 -ATOM 975 CD2 TYR 68 39.560 -5.050 -19.890 -ATOM 976 HD2 TYR 68 38.610 -5.300 -19.230 -ATOM 977 C TYR 68 40.020 -7.560 -21.670 -ATOM 978 O TYR 68 41.240 -7.430 -21.500 -ATOM 979 N ILE 69 39.290 -8.400 -20.930 -ATOM 980 H ILE 69 38.400 -8.970 -21.460 -ATOM 981 CA ILE 69 39.920 -9.160 -19.860 -ATOM 982 HA ILE 69 40.640 -8.460 -19.230 -ATOM 983 CB ILE 69 38.880 -9.980 -19.070 -ATOM 984 HB ILE 69 38.240 -10.780 -19.680 -ATOM 985 CG2 ILE 69 39.550 -10.900 -18.060 -ATOM 986 2HG2 ILE 69 38.750 -11.630 -17.550 -ATOM 987 3HG2 ILE 69 40.130 -11.810 -18.590 -ATOM 988 4HG2 ILE 69 40.380 -10.670 -17.230 -ATOM 989 CG1 ILE 69 37.910 -9.040 -18.340 -ATOM 990 2HG1 ILE 69 37.110 -9.840 -17.980 -ATOM 991 3HG1 ILE 69 37.330 -8.370 -19.130 -ATOM 992 CD ILE 69 38.610 -8.010 -17.500 -ATOM 993 2HD ILE 69 37.860 -7.390 -16.810 -ATOM 994 3HD ILE 69 39.260 -8.610 -16.690 -ATOM 995 4HD ILE 69 39.350 -7.160 -17.890 -ATOM 996 C ILE 69 41.000 -10.060 -20.440 -ATOM 997 O ILE 69 42.070 -10.230 -19.850 -ATOM 998 N ALA 70 40.750 -10.590 -21.640 -ATOM 999 H ALA 70 39.920 -11.410 -21.380 -ATOM 1000 CA ALA 70 41.700 -11.490 -22.300 -ATOM 1001 HA ALA 70 42.040 -12.430 -21.650 -ATOM 1002 CB ALA 70 41.070 -12.040 -23.570 -ATOM 1003 2HB ALA 70 41.890 -12.830 -23.970 -ATOM 1004 3HB ALA 70 40.150 -12.810 -23.460 -ATOM 1005 4HB ALA 70 40.900 -11.460 -24.600 -ATOM 1006 C ALA 70 43.010 -10.780 -22.620 -ATOM 1007 O ALA 70 44.080 -11.390 -22.540 -ATOM 1008 N THR 71 42.940 -9.500 -22.980 -ATOM 1009 H THR 71 41.990 -9.250 -23.630 -ATOM 1010 CA THR 71 44.140 -8.750 -23.330 -ATOM 1011 HA THR 71 44.930 -9.480 -23.860 -ATOM 1012 CB THR 71 43.780 -7.620 -24.280 -ATOM 1013 HB THR 71 43.070 -6.700 -24.020 -ATOM 1014 CG2 THR 71 45.020 -6.920 -24.800 -ATOM 1015 2HG2 THR 71 44.760 -6.070 -25.610 -ATOM 1016 3HG2 THR 71 45.790 -6.340 -24.090 -ATOM 1017 4HG2 THR 71 45.750 -7.630 -25.440 -ATOM 1018 OG1 THR 71 43.010 -8.140 -25.370 -ATOM 1019 HG1 THR 71 42.890 -8.360 -26.530 -ATOM 1020 C THR 71 44.860 -8.190 -22.100 -ATOM 1021 O THR 71 46.090 -8.180 -22.060 -ATOM 1022 N ASN 72 44.110 -7.690 -21.110 -ATOM 1023 H ASN 72 43.110 -8.270 -20.860 -ATOM 1024 CA ASN 72 44.690 -6.930 -20.010 -ATOM 1025 HA ASN 72 45.870 -6.790 -20.080 -ATOM 1026 CB ASN 72 44.030 -5.550 -19.900 -ATOM 1027 2HB ASN 72 44.810 -4.810 -19.370 -ATOM 1028 3HB ASN 72 43.130 -5.520 -19.130 -ATOM 1029 CG ASN 72 43.950 -4.850 -21.240 -ATOM 1030 OD1 ASN 72 44.900 -4.170 -21.660 -ATOM 1031 ND2 ASN 72 42.820 -5.000 -21.920 -ATOM 1032 2HD2 ASN 72 42.830 -4.410 -22.960 -ATOM 1033 3HD2 ASN 72 41.790 -5.170 -21.390 -ATOM 1034 C ASN 72 44.600 -7.620 -18.660 -ATOM 1035 O ASN 72 45.170 -7.120 -17.690 -ATOM 1036 N GLY 73 43.890 -8.740 -18.550 -ATOM 1037 H GLY 73 44.410 -9.560 -19.250 -ATOM 1038 CA GLY 73 43.750 -9.410 -17.290 -ATOM 1039 2HA GLY 73 44.860 -9.470 -16.850 -ATOM 1040 3HA GLY 73 43.460 -10.560 -17.440 -ATOM 1041 C GLY 73 42.750 -8.700 -16.410 -ATOM 1042 O GLY 73 42.170 -7.680 -16.790 -ATOM 1043 N PRO 74 42.550 -9.210 -15.210 -ATOM 1044 CA PRO 74 41.470 -8.680 -14.360 -ATOM 1045 HA PRO 74 40.490 -9.070 -14.880 -ATOM 1046 CB PRO 74 41.500 -9.600 -13.130 -ATOM 1047 2HB PRO 74 40.580 -10.250 -12.740 -ATOM 1048 3HB PRO 74 41.810 -8.980 -12.150 -ATOM 1049 CG PRO 74 42.730 -10.480 -13.280 -ATOM 1050 2HG PRO 74 42.660 -11.660 -13.390 -ATOM 1051 3HG PRO 74 43.430 -10.470 -12.310 -ATOM 1052 CD PRO 74 43.530 -10.000 -14.450 -ATOM 1053 2HD PRO 74 44.070 -10.960 -14.910 -ATOM 1054 3HD PRO 74 44.470 -9.340 -14.110 -ATOM 1055 C PRO 74 41.740 -7.230 -13.970 -ATOM 1056 O PRO 74 42.880 -6.770 -13.960 -ATOM 1057 N LEU 75 40.660 -6.500 -13.690 -ATOM 1058 H LEU 75 39.960 -6.610 -14.640 -ATOM 1059 CA LEU 75 40.790 -5.170 -13.120 -ATOM 1060 HA LEU 75 41.780 -4.720 -13.610 -ATOM 1061 CB LEU 75 39.490 -4.380 -13.250 -ATOM 1062 2HB LEU 75 39.630 -3.390 -12.610 -ATOM 1063 3HB LEU 75 38.700 -5.070 -12.720 -ATOM 1064 CG LEU 75 38.960 -4.090 -14.650 -ATOM 1065 HG LEU 75 38.390 -5.020 -15.130 -ATOM 1066 CD1 LEU 75 37.920 -3.000 -14.610 -ATOM 1067 2HD1 LEU 75 37.550 -2.740 -15.710 -ATOM 1068 3HD1 LEU 75 36.900 -3.360 -14.100 -ATOM 1069 4HD1 LEU 75 38.340 -2.050 -14.030 -ATOM 1070 CD2 LEU 75 40.100 -3.680 -15.530 -ATOM 1071 2HD2 LEU 75 39.600 -3.510 -16.600 -ATOM 1072 3HD2 LEU 75 40.700 -2.660 -15.330 -ATOM 1073 4HD2 LEU 75 41.020 -4.390 -15.800 -ATOM 1074 C LEU 75 41.170 -5.270 -11.640 -ATOM 1075 O LEU 75 41.060 -6.320 -11.010 -ATOM 1076 N LYS 76 41.640 -4.150 -11.090 -ATOM 1077 H LYS 76 42.630 -3.920 -11.720 -ATOM 1078 CA LYS 76 41.830 -4.030 -9.650 -ATOM 1079 HA LYS 76 42.310 -5.050 -9.270 -ATOM 1080 CB LYS 76 42.810 -2.920 -9.320 -ATOM 1081 2HB LYS 76 42.780 -2.800 -8.130 -ATOM 1082 3HB LYS 76 42.390 -1.920 -9.810 -ATOM 1083 CG LYS 76 44.260 -3.220 -9.530 -ATOM 1084 2HG LYS 76 44.580 -4.200 -10.140 -ATOM 1085 3HG LYS 76 44.740 -3.570 -8.480 -ATOM 1086 CD LYS 76 44.960 -2.010 -10.100 -ATOM 1087 2HD LYS 76 44.690 -1.050 -9.460 -ATOM 1088 3HD LYS 76 44.850 -2.140 -11.290 -ATOM 1089 CE LYS 76 46.470 -2.120 -9.920 -ATOM 1090 2HE LYS 76 46.920 -3.100 -10.450 -ATOM 1091 3HE LYS 76 46.830 -2.290 -8.790 -ATOM 1092 NZ LYS 76 47.210 -0.910 -10.410 -ATOM 1093 2HZ LYS 76 48.330 -1.330 -10.390 -ATOM 1094 3HZ LYS 76 47.010 -0.900 -11.600 -ATOM 1095 4HZ LYS 76 47.000 0.230 -10.170 -ATOM 1096 C LYS 76 40.500 -3.700 -9.000 -ATOM 1097 O LYS 76 39.690 -2.950 -9.550 -ATOM 1098 N VAL 77 40.260 -4.270 -7.820 -ATOM 1099 H VAL 77 41.190 -4.800 -7.300 -ATOM 1100 CA VAL 77 39.200 -3.740 -6.980 -ATOM 1101 HA VAL 77 38.240 -3.780 -7.660 -ATOM 1102 CB VAL 77 39.050 -4.570 -5.690 -ATOM 1103 HB VAL 77 40.080 -4.470 -5.080 -ATOM 1104 CG1 VAL 77 37.810 -4.120 -4.930 -ATOM 1105 2HG1 VAL 77 38.040 -4.700 -3.910 -ATOM 1106 3HG1 VAL 77 37.760 -3.000 -4.540 -ATOM 1107 4HG1 VAL 77 36.820 -4.510 -5.460 -ATOM 1108 CG2 VAL 77 38.970 -6.020 -6.030 -ATOM 1109 2HG2 VAL 77 39.290 -6.600 -5.020 -ATOM 1110 3HG2 VAL 77 37.940 -6.540 -6.330 -ATOM 1111 4HG2 VAL 77 39.830 -6.580 -6.650 -ATOM 1112 C VAL 77 39.510 -2.280 -6.670 -ATOM 1113 O VAL 77 40.640 -1.940 -6.310 -ATOM 1114 N GLY 78 38.500 -1.420 -6.840 -ATOM 1115 H GLY 78 37.500 -1.640 -6.250 -ATOM 1116 CA GLY 78 38.700 0.020 -6.790 -ATOM 1117 2HA GLY 78 39.700 0.230 -6.180 -ATOM 1118 3HA GLY 78 37.860 0.660 -6.250 -ATOM 1119 C GLY 78 39.110 0.650 -8.100 -ATOM 1120 O GLY 78 39.320 1.880 -8.150 -ATOM 1121 N GLY 79 39.230 -0.140 -9.170 -ATOM 1122 H GLY 79 38.430 -1.000 -9.240 -ATOM 1123 CA GLY 79 39.710 0.330 -10.440 -ATOM 1124 2HA GLY 79 40.500 -0.480 -10.810 -ATOM 1125 3HA GLY 79 40.180 1.420 -10.450 -ATOM 1126 C GLY 79 38.610 0.290 -11.490 -ATOM 1127 O GLY 79 37.460 -0.020 -11.220 -ATOM 1128 N SER 80 39.010 0.630 -12.720 -ATOM 1129 H SER 80 40.100 0.990 -13.000 -ATOM 1130 CA SER 80 38.020 0.900 -13.750 -ATOM 1131 HA SER 80 37.250 0.020 -13.570 -ATOM 1132 CB SER 80 37.510 2.360 -13.650 -ATOM 1133 2HB SER 80 37.410 2.610 -12.500 -ATOM 1134 3HB SER 80 36.550 2.340 -14.340 -ATOM 1135 OG SER 80 38.480 3.270 -14.100 -ATOM 1136 HG SER 80 39.200 3.890 -14.810 -ATOM 1137 C SER 80 38.610 0.610 -15.130 -ATOM 1138 O SER 80 39.820 0.440 -15.300 -ATOM 1139 N CYS 81 37.710 0.500 -16.110 -ATOM 1140 H CYS 81 36.870 -0.320 -16.040 -ATOM 1141 CA CYS 81 38.110 0.620 -17.500 -ATOM 1142 HA CYS 81 39.020 1.390 -17.550 -ATOM 1143 CB CYS 81 38.570 -0.710 -18.090 -ATOM 1144 2HB CYS 81 39.580 -1.040 -17.550 -ATOM 1145 3HB CYS 81 38.820 -0.640 -19.250 -ATOM 1146 SG CYS 81 37.230 -1.870 -18.310 -ATOM 1147 HG CYS 81 36.240 -2.340 -18.740 -ATOM 1148 C CYS 81 36.930 1.150 -18.290 -ATOM 1149 O CYS 81 35.770 0.870 -17.970 -ATOM 1150 N VAL 82 37.250 1.930 -19.330 -ATOM 1151 H VAL 82 38.350 1.980 -19.770 -ATOM 1152 CA VAL 82 36.250 2.560 -20.190 -ATOM 1153 HA VAL 82 35.320 2.710 -19.480 -ATOM 1154 CB VAL 82 36.660 3.970 -20.620 -ATOM 1155 HB VAL 82 37.620 3.930 -21.330 -ATOM 1156 CG1 VAL 82 35.530 4.580 -21.470 -ATOM 1157 2HG1 VAL 82 35.910 5.660 -21.820 -ATOM 1158 3HG1 VAL 82 35.570 4.110 -22.580 -ATOM 1159 4HG1 VAL 82 34.530 4.780 -20.860 -ATOM 1160 CG2 VAL 82 36.970 4.790 -19.430 -ATOM 1161 2HG2 VAL 82 37.720 5.620 -19.880 -ATOM 1162 3HG2 VAL 82 36.040 5.410 -19.010 -ATOM 1163 4HG2 VAL 82 37.730 4.390 -18.600 -ATOM 1164 C VAL 82 36.060 1.690 -21.420 -ATOM 1165 O VAL 82 37.010 1.420 -22.160 -ATOM 1166 N LEU 83 34.820 1.300 -21.680 -ATOM 1167 H LEU 83 34.120 2.230 -21.450 -ATOM 1168 CA LEU 83 34.550 0.540 -22.880 -ATOM 1169 HA LEU 83 35.330 0.830 -23.740 -ATOM 1170 CB LEU 83 34.220 -0.900 -22.550 -ATOM 1171 2HB LEU 83 33.840 -1.530 -23.480 -ATOM 1172 3HB LEU 83 33.250 -0.790 -21.860 -ATOM 1173 CG LEU 83 35.400 -1.650 -21.930 -ATOM 1174 HG LEU 83 35.830 -1.110 -20.960 -ATOM 1175 CD1 LEU 83 35.050 -3.100 -21.570 -ATOM 1176 2HD1 LEU 83 36.010 -3.620 -21.090 -ATOM 1177 3HD1 LEU 83 34.130 -3.230 -20.820 -ATOM 1178 4HD1 LEU 83 34.720 -3.700 -22.540 -ATOM 1179 CD2 LEU 83 36.550 -1.600 -22.890 -ATOM 1180 2HD2 LEU 83 37.540 -2.010 -22.350 -ATOM 1181 3HD2 LEU 83 36.490 -2.210 -23.920 -ATOM 1182 4HD2 LEU 83 37.150 -0.670 -23.370 -ATOM 1183 C LEU 83 33.410 1.200 -23.630 -ATOM 1184 O LEU 83 33.000 2.320 -23.300 -ATOM 1185 N SER 84 32.910 0.510 -24.650 -ATOM 1186 H SER 84 33.790 0.330 -25.430 -ATOM 1187 CA SER 84 31.830 1.070 -25.440 -ATOM 1188 HA SER 84 32.240 2.080 -25.930 -ATOM 1189 CB SER 84 31.600 0.210 -26.680 -ATOM 1190 2HB SER 84 31.220 -0.910 -26.610 -ATOM 1191 3HB SER 84 32.510 0.190 -27.470 -ATOM 1192 OG SER 84 30.670 0.840 -27.530 -ATOM 1193 HG SER 84 30.570 1.260 -28.640 -ATOM 1194 C SER 84 30.560 1.160 -24.620 -ATOM 1195 O SER 84 30.270 0.290 -23.800 -ATOM 1196 N GLY 85 29.790 2.230 -24.850 -ATOM 1197 H GLY 85 29.950 2.780 -25.880 -ATOM 1198 CA GLY 85 28.450 2.270 -24.290 -ATOM 1199 2HA GLY 85 28.220 3.400 -24.030 -ATOM 1200 3HA GLY 85 28.250 1.610 -23.320 -ATOM 1201 C GLY 85 27.370 1.610 -25.140 -ATOM 1202 O GLY 85 26.220 1.540 -24.710 -ATOM 1203 N HID 86 27.720 1.160 -26.340 -ATOM 1204 H HID 86 28.240 1.900 -27.120 -ATOM 1205 CA HID 86 26.820 0.390 -27.190 -ATOM 1206 HA HID 86 27.210 0.310 -28.310 -ATOM 1207 CB HID 86 26.560 -0.930 -26.510 -ATOM 1208 2HB HID 86 25.990 -1.660 -27.270 -ATOM 1209 3HB HID 86 26.220 -0.750 -25.390 -ATOM 1210 CG HID 86 27.790 -1.790 -26.380 -ATOM 1211 ND1 HID 86 28.450 -2.320 -27.460 -ATOM 1212 HD1 HID 86 28.330 -2.210 -28.640 -ATOM 1213 CE1 HID 86 29.480 -3.040 -27.040 -ATOM 1214 HE1 HID 86 30.240 -3.510 -27.810 -ATOM 1215 NE2 HID 86 29.500 -2.990 -25.720 -ATOM 1216 CD2 HID 86 28.460 -2.220 -25.280 -ATOM 1217 HD2 HID 86 28.600 -1.730 -24.210 -ATOM 1218 C HID 86 25.560 1.230 -27.470 -ATOM 1219 O HID 86 25.680 2.440 -27.750 -ATOM 1220 N ASN 87 24.360 0.660 -27.420 -ATOM 1221 H ASN 87 24.440 -0.140 -28.300 -ATOM 1222 CA ASN 87 23.140 1.430 -27.650 -ATOM 1223 HA ASN 87 23.230 2.200 -28.570 -ATOM 1224 CB ASN 87 21.980 0.510 -27.990 -ATOM 1225 2HB ASN 87 22.020 0.050 -29.100 -ATOM 1226 3HB ASN 87 20.950 1.120 -28.080 -ATOM 1227 CG ASN 87 21.940 -0.700 -27.090 -ATOM 1228 OD1 ASN 87 22.950 -1.370 -26.890 -ATOM 1229 ND2 ASN 87 20.770 -0.980 -26.520 -ATOM 1230 2HD2 ASN 87 20.060 -0.860 -25.580 -ATOM 1231 3HD2 ASN 87 20.060 -1.410 -27.370 -ATOM 1232 C ASN 87 22.750 2.290 -26.460 -ATOM 1233 O ASN 87 21.890 3.160 -26.600 -ATOM 1234 N LEU 88 23.370 2.070 -25.290 -ATOM 1235 H LEU 88 24.130 1.180 -25.230 -ATOM 1236 CA LEU 88 22.970 2.740 -24.050 -ATOM 1237 HA LEU 88 21.860 3.140 -24.190 -ATOM 1238 CB LEU 88 23.230 1.810 -22.860 -ATOM 1239 2HB LEU 88 22.900 2.390 -21.870 -ATOM 1240 3HB LEU 88 24.420 1.770 -22.740 -ATOM 1241 CG LEU 88 22.710 0.380 -22.920 -ATOM 1242 HG LEU 88 22.960 -0.220 -23.920 -ATOM 1243 CD1 LEU 88 23.280 -0.440 -21.780 -ATOM 1244 2HD1 LEU 88 22.840 -1.540 -21.660 -ATOM 1245 3HD1 LEU 88 24.470 -0.510 -21.830 -ATOM 1246 4HD1 LEU 88 22.960 0.230 -20.850 -ATOM 1247 CD2 LEU 88 21.190 0.360 -22.880 -ATOM 1248 2HD2 LEU 88 20.780 -0.740 -23.080 -ATOM 1249 3HD2 LEU 88 20.730 0.850 -21.900 -ATOM 1250 4HD2 LEU 88 20.730 0.950 -23.820 -ATOM 1251 C LEU 88 23.680 4.070 -23.820 -ATOM 1252 O LEU 88 23.090 4.970 -23.210 -ATOM 1253 N ALA 89 24.930 4.220 -24.270 -ATOM 1254 H ALA 89 24.820 4.170 -25.460 -ATOM 1255 CA ALA 89 25.680 5.430 -24.000 -ATOM 1256 HA ALA 89 25.020 6.360 -24.370 -ATOM 1257 CB ALA 89 26.190 5.460 -22.550 -ATOM 1258 2HB ALA 89 26.820 6.410 -22.230 -ATOM 1259 3HB ALA 89 25.250 5.210 -21.860 -ATOM 1260 4HB ALA 89 26.850 4.470 -22.460 -ATOM 1261 C ALA 89 26.840 5.510 -24.980 -ATOM 1262 O ALA 89 27.100 4.560 -25.720 -ATOM 1263 N LYS 90 27.530 6.660 -25.000 -ATOM 1264 H LYS 90 26.820 7.500 -25.440 -ATOM 1265 CA LYS 90 28.780 6.710 -25.760 -ATOM 1266 HA LYS 90 28.570 6.360 -26.880 -ATOM 1267 CB LYS 90 29.330 8.150 -25.820 -ATOM 1268 2HB LYS 90 29.860 8.490 -24.810 -ATOM 1269 3HB LYS 90 28.490 8.880 -26.250 -ATOM 1270 CG LYS 90 30.470 8.310 -26.830 -ATOM 1271 2HG LYS 90 30.000 8.160 -27.920 -ATOM 1272 3HG LYS 90 31.340 7.490 -26.900 -ATOM 1273 CD LYS 90 31.020 9.740 -26.920 -ATOM 1274 2HD LYS 90 32.210 9.630 -26.840 -ATOM 1275 3HD LYS 90 30.670 10.440 -26.030 -ATOM 1276 CE LYS 90 30.840 10.930 -27.970 -ATOM 1277 2HE LYS 90 30.940 12.060 -27.610 -ATOM 1278 3HE LYS 90 29.770 10.920 -28.500 -ATOM 1279 NZ LYS 90 31.910 10.620 -28.890 -ATOM 1280 2HZ LYS 90 31.720 11.280 -29.870 -ATOM 1281 3HZ LYS 90 33.010 11.000 -28.610 -ATOM 1282 4HZ LYS 90 32.040 9.550 -29.420 -ATOM 1283 C LYS 90 29.800 5.750 -25.170 -ATOM 1284 O LYS 90 30.300 4.860 -25.860 -ATOM 1285 N HIE 91 30.100 5.890 -23.880 -ATOM 1286 H HIE 91 29.210 6.210 -23.170 -ATOM 1287 CA HIE 91 31.010 4.990 -23.210 -ATOM 1288 HA HIE 91 31.440 4.240 -24.020 -ATOM 1289 CB HIE 91 32.270 5.680 -22.720 -ATOM 1290 2HB HIE 91 33.170 4.910 -22.810 -ATOM 1291 3HB HIE 91 32.270 6.180 -21.640 -ATOM 1292 CG HIE 91 32.830 6.660 -23.690 -ATOM 1293 ND1 HIE 91 33.730 6.300 -24.660 -ATOM 1294 CE1 HIE 91 34.070 7.370 -25.360 -ATOM 1295 HE1 HIE 91 34.860 7.230 -26.230 -ATOM 1296 NE2 HIE 91 33.420 8.410 -24.860 -ATOM 1297 HE2 HIE 91 33.900 9.460 -25.140 -ATOM 1298 CD2 HIE 91 32.640 7.990 -23.810 -ATOM 1299 HD2 HIE 91 32.580 8.760 -22.910 -ATOM 1300 C HIE 91 30.360 4.340 -22.000 -ATOM 1301 O HIE 91 29.340 4.820 -21.460 -ATOM 1302 N CYS 92 30.990 3.260 -21.560 -ATOM 1303 H CYS 92 31.340 2.320 -22.190 -ATOM 1304 CA CYS 92 30.630 2.560 -20.330 -ATOM 1305 HA CYS 92 29.730 3.110 -19.790 -ATOM 1306 CB CYS 92 30.030 1.200 -20.590 -ATOM 1307 2HB CYS 92 30.670 0.310 -21.050 -ATOM 1308 3HB CYS 92 28.920 1.090 -20.990 -ATOM 1309 SG CYS 92 29.710 0.440 -19.050 -ATOM 1310 HG CYS 92 28.960 0.600 -18.160 -ATOM 1311 C CYS 92 31.870 2.420 -19.460 -ATOM 1312 O CYS 92 32.790 1.670 -19.800 -ATOM 1313 N LEU 93 31.850 3.090 -18.310 -ATOM 1314 H LEU 93 31.230 4.100 -18.370 -ATOM 1315 CA LEU 93 32.930 3.010 -17.330 -ATOM 1316 HA LEU 93 33.940 2.880 -17.930 -ATOM 1317 CB LEU 93 33.080 4.350 -16.600 -ATOM 1318 2HB LEU 93 32.030 4.630 -16.130 -ATOM 1319 3HB LEU 93 33.340 5.150 -17.450 -ATOM 1320 CG LEU 93 34.100 4.390 -15.480 -ATOM 1321 HG LEU 93 34.030 3.380 -14.870 -ATOM 1322 CD1 LEU 93 35.500 4.160 -16.000 -ATOM 1323 2HD1 LEU 93 36.400 4.510 -15.300 -ATOM 1324 3HD1 LEU 93 35.880 3.120 -16.470 -ATOM 1325 4HD1 LEU 93 35.710 4.990 -16.840 -ATOM 1326 CD2 LEU 93 34.020 5.690 -14.700 -ATOM 1327 2HD2 LEU 93 35.010 6.010 -14.110 -ATOM 1328 3HD2 LEU 93 33.750 6.610 -15.400 -ATOM 1329 4HD2 LEU 93 33.120 5.610 -13.920 -ATOM 1330 C LEU 93 32.600 1.880 -16.370 -ATOM 1331 O LEU 93 31.750 2.040 -15.500 -ATOM 1332 N HIE 94 33.290 0.740 -16.530 -ATOM 1333 H HIE 94 33.570 0.550 -17.660 -ATOM 1334 CA HIE 94 33.140 -0.370 -15.590 -ATOM 1335 HA HIE 94 32.000 -0.560 -15.340 -ATOM 1336 CB HIE 94 33.540 -1.690 -16.230 -ATOM 1337 2HB HIE 94 33.420 -2.590 -15.470 -ATOM 1338 3HB HIE 94 34.690 -1.700 -16.550 -ATOM 1339 CG HIE 94 32.830 -1.960 -17.510 -ATOM 1340 ND1 HIE 94 31.730 -2.780 -17.580 -ATOM 1341 CE1 HIE 94 31.290 -2.820 -18.820 -ATOM 1342 HE1 HIE 94 30.140 -3.060 -18.990 -ATOM 1343 NE2 HIE 94 32.070 -2.050 -19.560 -ATOM 1344 HE2 HIE 94 31.690 -2.030 -20.680 -ATOM 1345 CD2 HIE 94 33.040 -1.500 -18.760 -ATOM 1346 HD2 HIE 94 33.980 -0.960 -19.240 -ATOM 1347 C HIE 94 33.990 -0.090 -14.360 -ATOM 1348 O HIE 94 35.220 -0.050 -14.450 -ATOM 1349 N VAL 95 33.330 0.080 -13.220 -ATOM 1350 H VAL 95 32.210 0.440 -13.260 -ATOM 1351 CA VAL 95 34.000 0.400 -11.960 -ATOM 1352 HA VAL 95 35.160 0.380 -12.190 -ATOM 1353 CB VAL 95 33.490 1.740 -11.380 -ATOM 1354 HB VAL 95 32.320 1.650 -11.190 -ATOM 1355 CG1 VAL 95 34.170 2.040 -10.050 -ATOM 1356 2HG1 VAL 95 34.000 3.160 -9.680 -ATOM 1357 3HG1 VAL 95 33.560 1.340 -9.290 -ATOM 1358 4HG1 VAL 95 35.290 1.650 -9.960 -ATOM 1359 CG2 VAL 95 33.800 2.850 -12.310 -ATOM 1360 2HG2 VAL 95 33.600 3.970 -11.930 -ATOM 1361 3HG2 VAL 95 34.950 2.880 -12.600 -ATOM 1362 4HG2 VAL 95 33.000 2.700 -13.180 -ATOM 1363 C VAL 95 33.770 -0.750 -10.990 -ATOM 1364 O VAL 95 32.630 -1.210 -10.800 -ATOM 1365 N VAL 96 34.850 -1.180 -10.350 -ATOM 1366 H VAL 96 35.780 -0.550 -10.000 -ATOM 1367 CA VAL 96 34.840 -2.340 -9.460 -ATOM 1368 HA VAL 96 33.810 -2.920 -9.570 -ATOM 1369 CB VAL 96 36.000 -3.280 -9.760 -ATOM 1370 HB VAL 96 37.060 -2.750 -9.710 -ATOM 1371 CG1 VAL 96 36.020 -4.440 -8.750 -ATOM 1372 2HG1 VAL 96 36.900 -5.210 -8.960 -ATOM 1373 3HG1 VAL 96 35.950 -4.130 -7.600 -ATOM 1374 4HG1 VAL 96 35.030 -5.100 -8.780 -ATOM 1375 CG2 VAL 96 35.920 -3.760 -11.200 -ATOM 1376 2HG2 VAL 96 36.960 -4.290 -11.420 -ATOM 1377 3HG2 VAL 96 35.020 -4.490 -11.480 -ATOM 1378 4HG2 VAL 96 35.900 -2.840 -11.960 -ATOM 1379 C VAL 96 34.890 -1.830 -8.020 -ATOM 1380 O VAL 96 35.900 -1.270 -7.580 -ATOM 1381 N GLY 97 33.830 -2.060 -7.270 -ATOM 1382 H GLY 97 32.760 -1.860 -7.760 -ATOM 1383 CA GLY 97 33.820 -1.720 -5.870 -ATOM 1384 2HA GLY 97 32.780 -1.160 -5.700 -ATOM 1385 3HA GLY 97 34.690 -0.930 -5.700 -ATOM 1386 C GLY 97 34.110 -2.950 -5.050 -ATOM 1387 O GLY 97 33.940 -4.080 -5.520 -ATOM 1388 N PRO 98 34.560 -2.750 -3.820 -ATOM 1389 CA PRO 98 34.830 -3.880 -2.930 -ATOM 1390 HA PRO 98 35.730 -4.540 -3.340 -ATOM 1391 CB PRO 98 35.290 -3.200 -1.640 -ATOM 1392 2HB PRO 98 36.480 -3.220 -1.600 -ATOM 1393 3HB PRO 98 34.970 -3.830 -0.680 -ATOM 1394 CG PRO 98 34.600 -1.870 -1.670 -ATOM 1395 2HG PRO 98 35.180 -1.260 -0.840 -ATOM 1396 3HG PRO 98 33.470 -1.910 -1.310 -ATOM 1397 CD PRO 98 34.690 -1.470 -3.110 -ATOM 1398 2HD PRO 98 35.760 -1.070 -3.450 -ATOM 1399 3HD PRO 98 33.790 -0.770 -3.440 -ATOM 1400 C PRO 98 33.600 -4.730 -2.690 -ATOM 1401 O PRO 98 32.510 -4.210 -2.400 -ATOM 1402 N ASN 99 33.770 -6.040 -2.810 -ATOM 1403 H ASN 99 34.000 -6.270 -3.950 -ATOM 1404 CA ASN 99 32.800 -7.030 -2.360 -ATOM 1405 HA ASN 99 31.650 -6.810 -2.550 -ATOM 1406 CB ASN 99 32.970 -8.320 -3.140 -ATOM 1407 2HB ASN 99 33.930 -8.980 -2.870 -ATOM 1408 3HB ASN 99 33.040 -8.230 -4.330 -ATOM 1409 CG ASN 99 31.850 -9.290 -2.900 -ATOM 1410 OD1 ASN 99 31.220 -9.260 -1.850 -ATOM 1411 ND2 ASN 99 31.600 -10.150 -3.870 -ATOM 1412 2HD2 ASN 99 30.550 -10.730 -3.820 -ATOM 1413 3HD2 ASN 99 32.140 -10.720 -4.770 -ATOM 1414 C ASN 99 33.050 -7.250 -0.880 -ATOM 1415 O ASN 99 33.850 -8.090 -0.480 -ATOM 1416 N VAL 100 32.370 -6.450 -0.040 -ATOM 1417 H VAL 100 31.730 -5.580 -0.500 -ATOM 1418 CA VAL 100 32.660 -6.560 1.390 -ATOM 1419 HA VAL 100 33.810 -6.610 1.710 -ATOM 1420 CB VAL 100 32.090 -5.340 2.160 -ATOM 1421 HB VAL 100 32.440 -5.490 3.300 -ATOM 1422 CG1 VAL 100 32.610 -4.060 1.540 -ATOM 1423 2HG1 VAL 100 32.300 -3.370 2.470 -ATOM 1424 3HG1 VAL 100 33.800 -4.120 1.650 -ATOM 1425 4HG1 VAL 100 32.250 -3.550 0.530 -ATOM 1426 CG2 VAL 100 30.580 -5.340 2.150 -ATOM 1427 2HG2 VAL 100 30.290 -4.620 3.070 -ATOM 1428 3HG2 VAL 100 30.130 -4.870 1.160 -ATOM 1429 4HG2 VAL 100 30.070 -6.260 2.720 -ATOM 1430 C VAL 100 32.160 -7.890 1.930 -ATOM 1431 O VAL 100 32.730 -8.440 2.880 -ATOM 1432 N ASN 101 31.110 -8.440 1.310 -ATOM 1433 H ASN 101 30.120 -7.860 1.010 -ATOM 1434 CA ASN 101 30.600 -9.760 1.690 -ATOM 1435 HA ASN 101 30.260 -9.760 2.830 -ATOM 1436 CB ASN 101 29.510 -10.180 0.700 -ATOM 1437 2HB ASN 101 29.240 -11.290 1.070 -ATOM 1438 3HB ASN 101 29.600 -10.390 -0.470 -ATOM 1439 CG ASN 101 28.150 -9.610 1.060 -ATOM 1440 OD1 ASN 101 27.830 -9.440 2.240 -ATOM 1441 ND2 ASN 101 27.340 -9.330 0.050 -ATOM 1442 2HD2 ASN 101 26.280 -8.840 0.340 -ATOM 1443 3HD2 ASN 101 27.010 -10.320 -0.530 -ATOM 1444 C ASN 101 31.720 -10.800 1.740 -ATOM 1445 O ASN 101 31.710 -11.680 2.610 -ATOM 1446 N LYS 102 32.690 -10.680 0.830 -ATOM 1447 H LYS 102 32.530 -10.020 -0.130 -ATOM 1448 CA LYS 102 33.840 -11.580 0.740 -ATOM 1449 HA LYS 102 33.740 -12.550 1.430 -ATOM 1450 CB LYS 102 34.070 -11.940 -0.720 -ATOM 1451 2HB LYS 102 34.920 -12.740 -0.460 -ATOM 1452 3HB LYS 102 34.600 -11.080 -1.360 -ATOM 1453 CG LYS 102 32.830 -12.520 -1.390 -ATOM 1454 2HG LYS 102 31.750 -12.040 -1.570 -ATOM 1455 3HG LYS 102 32.490 -13.440 -0.700 -ATOM 1456 CD LYS 102 33.150 -13.170 -2.740 -ATOM 1457 2HD LYS 102 32.860 -12.680 -3.780 -ATOM 1458 3HD LYS 102 32.480 -14.170 -2.790 -ATOM 1459 CE LYS 102 34.630 -13.580 -2.860 -ATOM 1460 2HE LYS 102 35.010 -14.360 -2.030 -ATOM 1461 3HE LYS 102 35.430 -12.740 -3.140 -ATOM 1462 NZ LYS 102 34.910 -14.550 -3.980 -ATOM 1463 2HZ LYS 102 36.070 -14.860 -4.040 -ATOM 1464 3HZ LYS 102 34.370 -15.620 -3.920 -ATOM 1465 4HZ LYS 102 34.690 -14.180 -5.100 -ATOM 1466 C LYS 102 35.110 -10.980 1.360 -ATOM 1467 O LYS 102 36.220 -11.410 1.010 -ATOM 1468 N GLY 103 34.980 -10.010 2.250 -ATOM 1469 H GLY 103 34.250 -10.290 3.150 -ATOM 1470 CA GLY 103 36.120 -9.490 2.980 -ATOM 1471 2HA GLY 103 36.830 -10.340 3.440 -ATOM 1472 3HA GLY 103 35.810 -8.870 3.960 -ATOM 1473 C GLY 103 37.040 -8.530 2.240 -ATOM 1474 O GLY 103 38.170 -8.300 2.690 -ATOM 1475 N GLU 104 36.580 -7.950 1.130 -ATOM 1476 H GLU 104 36.240 -8.830 0.400 -ATOM 1477 CA GLU 104 37.370 -6.960 0.420 -ATOM 1478 HA GLU 104 38.470 -7.440 0.450 -ATOM 1479 CB GLU 104 36.830 -6.780 -1.000 -ATOM 1480 2HB GLU 104 37.350 -5.780 -1.370 -ATOM 1481 3HB GLU 104 35.660 -6.640 -0.890 -ATOM 1482 CG GLU 104 37.480 -7.680 -2.050 -ATOM 1483 2HG GLU 104 37.510 -8.840 -1.780 -ATOM 1484 3HG GLU 104 38.640 -7.520 -2.320 -ATOM 1485 CD GLU 104 36.720 -7.720 -3.380 -ATOM 1486 OE1 GLU 104 36.840 -8.710 -4.130 -ATOM 1487 OE2 GLU 104 35.990 -6.750 -3.670 -ATOM 1488 C GLU 104 37.370 -5.640 1.180 -ATOM 1489 O GLU 104 36.370 -5.260 1.800 -ATOM 1490 N ASP 105 38.500 -4.930 1.150 -ATOM 1491 H ASP 105 39.190 -4.890 0.180 -ATOM 1492 CA ASP 105 38.630 -3.740 1.980 -ATOM 1493 HA ASP 105 38.600 -4.230 3.070 -ATOM 1494 CB ASP 105 40.050 -3.170 1.890 -ATOM 1495 2HB ASP 105 40.710 -2.810 0.960 -ATOM 1496 3HB ASP 105 40.770 -3.980 2.390 -ATOM 1497 CG ASP 105 40.300 -2.080 2.930 -ATOM 1498 OD1 ASP 105 39.330 -1.610 3.570 -ATOM 1499 OD2 ASP 105 41.480 -1.700 3.120 -ATOM 1500 C ASP 105 37.610 -2.680 1.580 -ATOM 1501 O ASP 105 37.560 -2.250 0.430 -ATOM 1502 N ILE 106 36.790 -2.250 2.550 -ATOM 1503 H ILE 106 36.700 -2.930 3.520 -ATOM 1504 CA ILE 106 35.790 -1.230 2.300 -ATOM 1505 HA ILE 106 35.150 -1.760 1.460 -ATOM 1506 CB ILE 106 34.890 -1.040 3.540 -ATOM 1507 HB ILE 106 34.470 -2.040 4.030 -ATOM 1508 CG2 ILE 106 35.700 -0.450 4.700 -ATOM 1509 2HG2 ILE 106 35.080 -0.590 5.730 -ATOM 1510 3HG2 ILE 106 36.670 -0.990 5.170 -ATOM 1511 4HG2 ILE 106 35.950 0.720 4.840 -ATOM 1512 CG1 ILE 106 33.720 -0.100 3.240 -ATOM 1513 2HG1 ILE 106 34.110 0.980 2.920 -ATOM 1514 3HG1 ILE 106 33.190 0.130 4.290 -ATOM 1515 CD ILE 106 32.670 -0.690 2.380 -ATOM 1516 2HD ILE 106 31.960 0.230 2.100 -ATOM 1517 3HD ILE 106 32.890 -1.140 1.310 -ATOM 1518 4HD ILE 106 31.950 -1.280 3.160 -ATOM 1519 C ILE 106 36.440 0.080 1.900 -ATOM 1520 O ILE 106 35.810 0.920 1.260 -ATOM 1521 N GLN 107 37.710 0.280 2.270 -ATOM 1522 H GLN 107 38.000 0.110 3.410 -ATOM 1523 CA GLN 107 38.430 1.500 1.890 -ATOM 1524 HA GLN 107 37.860 2.390 2.460 -ATOM 1525 CB GLN 107 39.870 1.450 2.400 -ATOM 1526 2HB GLN 107 40.510 0.450 2.270 -ATOM 1527 3HB GLN 107 39.910 1.690 3.580 -ATOM 1528 CG GLN 107 40.830 2.420 1.750 -ATOM 1529 2HG GLN 107 41.040 2.510 0.580 -ATOM 1530 3HG GLN 107 41.940 2.100 2.090 -ATOM 1531 CD GLN 107 40.810 3.800 2.400 -ATOM 1532 OE1 GLN 107 41.580 4.070 3.330 -ATOM 1533 NE2 GLN 107 39.930 4.680 1.920 -ATOM 1534 2HE2 GLN 107 38.900 4.730 1.330 -ATOM 1535 3HE2 GLN 107 39.760 5.480 2.790 -ATOM 1536 C GLN 107 38.410 1.710 0.380 -ATOM 1537 O GLN 107 38.340 2.850 -0.100 -ATOM 1538 N LEU 108 38.450 0.620 -0.380 -ATOM 1539 H LEU 108 38.960 -0.280 0.190 -ATOM 1540 CA LEU 108 38.540 0.720 -1.820 -ATOM 1541 HA LEU 108 39.360 1.550 -2.040 -ATOM 1542 CB LEU 108 38.830 -0.640 -2.420 -ATOM 1543 2HB LEU 108 38.740 -0.610 -3.600 -ATOM 1544 3HB LEU 108 38.040 -1.430 -2.010 -ATOM 1545 CG LEU 108 40.220 -1.100 -2.030 -ATOM 1546 HG LEU 108 40.740 -0.990 -0.960 -ATOM 1547 CD1 LEU 108 40.370 -2.610 -2.260 -ATOM 1548 2HD1 LEU 108 41.350 -3.040 -1.700 -ATOM 1549 3HD1 LEU 108 39.540 -3.400 -1.930 -ATOM 1550 4HD1 LEU 108 40.720 -2.870 -3.370 -ATOM 1551 CD2 LEU 108 41.250 -0.300 -2.800 -ATOM 1552 2HD2 LEU 108 42.340 -0.790 -2.670 -ATOM 1553 3HD2 LEU 108 41.220 -0.270 -3.990 -ATOM 1554 4HD2 LEU 108 41.590 0.750 -2.340 -ATOM 1555 C LEU 108 37.280 1.280 -2.450 -ATOM 1556 O LEU 108 37.310 1.680 -3.620 -ATOM 1557 N LEU 109 36.160 1.290 -1.730 -ATOM 1558 H LEU 109 36.140 0.640 -0.750 -ATOM 1559 CA LEU 109 34.980 1.990 -2.250 -ATOM 1560 HA LEU 109 34.780 1.510 -3.310 -ATOM 1561 CB LEU 109 33.840 1.930 -1.220 -ATOM 1562 2HB LEU 109 34.080 2.670 -0.310 -ATOM 1563 3HB LEU 109 33.720 0.880 -0.670 -ATOM 1564 CG LEU 109 32.470 2.300 -1.770 -ATOM 1565 HG LEU 109 32.490 3.420 -2.180 -ATOM 1566 CD1 LEU 109 32.070 1.350 -2.900 -ATOM 1567 2HD1 LEU 109 30.910 1.520 -3.130 -ATOM 1568 3HD1 LEU 109 32.570 1.560 -3.960 -ATOM 1569 4HD1 LEU 109 32.130 0.250 -2.450 -ATOM 1570 CD2 LEU 109 31.420 2.310 -0.680 -ATOM 1571 2HD2 LEU 109 30.310 2.310 -1.120 -ATOM 1572 3HD2 LEU 109 31.390 1.290 -0.050 -ATOM 1573 4HD2 LEU 109 31.590 3.140 0.150 -ATOM 1574 C LEU 109 35.330 3.430 -2.600 -ATOM 1575 O LEU 109 34.840 3.980 -3.590 -ATOM 1576 N LYS 110 36.190 4.070 -1.810 -ATOM 1577 H LYS 110 36.220 3.780 -0.660 -ATOM 1578 CA LYS 110 36.550 5.440 -2.110 -ATOM 1579 HA LYS 110 35.560 6.030 -2.370 -ATOM 1580 CB LYS 110 37.240 6.100 -0.910 -ATOM 1581 2HB LYS 110 38.350 5.690 -0.870 -ATOM 1582 3HB LYS 110 36.790 5.830 0.160 -ATOM 1583 CG LYS 110 37.240 7.620 -1.010 -ATOM 1584 2HG LYS 110 36.480 7.890 -0.130 -ATOM 1585 3HG LYS 110 37.000 8.000 -2.100 -ATOM 1586 CD LYS 110 38.540 8.190 -0.550 -ATOM 1587 2HD LYS 110 39.220 8.320 -1.510 -ATOM 1588 3HD LYS 110 39.040 7.630 0.380 -ATOM 1589 CE LYS 110 38.320 9.550 0.080 -ATOM 1590 2HE LYS 110 39.340 10.170 0.220 -ATOM 1591 3HE LYS 110 38.060 9.390 1.240 -ATOM 1592 NZ LYS 110 37.310 10.400 -0.640 -ATOM 1593 2HZ LYS 110 37.590 11.490 -0.210 -ATOM 1594 3HZ LYS 110 37.590 10.390 -1.790 -ATOM 1595 4HZ LYS 110 36.270 10.340 -0.060 -ATOM 1596 C LYS 110 37.440 5.530 -3.340 -ATOM 1597 O LYS 110 37.270 6.420 -4.180 -ATOM 1598 N SER 111 38.400 4.610 -3.480 -ATOM 1599 H SER 111 38.840 4.050 -2.540 -ATOM 1600 CA SER 111 39.170 4.580 -4.720 -ATOM 1601 HA SER 111 39.710 5.590 -5.010 -ATOM 1602 CB SER 111 40.280 3.530 -4.630 -ATOM 1603 2HB SER 111 41.200 3.780 -5.340 -ATOM 1604 3HB SER 111 39.950 2.400 -4.780 -ATOM 1605 OG SER 111 40.990 3.660 -3.420 -ATOM 1606 HG SER 111 41.930 3.080 -3.000 -ATOM 1607 C SER 111 38.260 4.310 -5.920 -ATOM 1608 O SER 111 38.490 4.850 -7.000 -ATOM 1609 N ALA 112 37.240 3.460 -5.750 -ATOM 1610 H ALA 112 36.800 3.260 -4.680 -ATOM 1611 CA ALA 112 36.340 3.170 -6.870 -ATOM 1612 HA ALA 112 37.030 2.700 -7.710 -ATOM 1613 CB ALA 112 35.360 2.050 -6.520 -ATOM 1614 2HB ALA 112 35.120 1.320 -7.420 -ATOM 1615 3HB ALA 112 35.750 1.300 -5.680 -ATOM 1616 4HB ALA 112 34.350 2.490 -6.070 -ATOM 1617 C ALA 112 35.570 4.410 -7.300 -ATOM 1618 O ALA 112 35.420 4.680 -8.500 -ATOM 1619 N TYR 113 35.080 5.180 -6.340 -ATOM 1620 H TYR 113 35.220 5.060 -5.180 -ATOM 1621 CA TYR 113 34.370 6.390 -6.700 -ATOM 1622 HA TYR 113 33.620 6.110 -7.580 -ATOM 1623 CB TYR 113 33.670 6.920 -5.460 -ATOM 1624 2HB TYR 113 33.430 8.050 -5.740 -ATOM 1625 3HB TYR 113 34.210 6.960 -4.400 -ATOM 1626 CG TYR 113 32.300 6.340 -5.270 -ATOM 1627 CD1 TYR 113 31.310 6.540 -6.230 -ATOM 1628 HD1 TYR 113 31.370 7.230 -7.180 -ATOM 1629 CE1 TYR 113 30.040 6.000 -6.070 -ATOM 1630 HE1 TYR 113 29.140 6.160 -6.830 -ATOM 1631 CZ TYR 113 29.760 5.250 -4.950 -ATOM 1632 OH TYR 113 28.500 4.730 -4.800 -ATOM 1633 HH TYR 113 27.790 5.380 -4.120 -ATOM 1634 CE2 TYR 113 30.730 5.030 -3.980 -ATOM 1635 HE2 TYR 113 30.460 4.990 -2.830 -ATOM 1636 CD2 TYR 113 31.990 5.570 -4.150 -ATOM 1637 HD2 TYR 113 32.740 5.480 -3.250 -ATOM 1638 C TYR 113 35.290 7.430 -7.340 -ATOM 1639 O TYR 113 34.820 8.230 -8.150 -ATOM 1640 N GLU 114 36.590 7.420 -7.020 -ATOM 1641 H GLU 114 37.120 6.590 -6.380 -ATOM 1642 CA GLU 114 37.510 8.400 -7.620 -ATOM 1643 HA GLU 114 36.980 9.430 -7.390 -ATOM 1644 CB GLU 114 38.920 8.270 -7.020 -ATOM 1645 2HB GLU 114 39.520 9.050 -7.690 -ATOM 1646 3HB GLU 114 39.480 7.250 -7.280 -ATOM 1647 CG GLU 114 39.010 8.620 -5.520 -ATOM 1648 2HG GLU 114 38.480 8.100 -4.590 -ATOM 1649 3HG GLU 114 38.830 9.790 -5.430 -ATOM 1650 CD GLU 114 40.420 8.480 -4.910 -ATOM 1651 OE1 GLU 114 40.730 9.270 -3.990 -ATOM 1652 OE2 GLU 114 41.200 7.590 -5.350 -ATOM 1653 C GLU 114 37.580 8.280 -9.140 -ATOM 1654 O GLU 114 37.890 9.270 -9.830 -ATOM 1655 N ASN 115 37.290 7.090 -9.700 -ATOM 1656 H ASN 115 38.150 6.370 -9.310 -ATOM 1657 CA ASN 115 37.200 6.940 -11.150 -ATOM 1658 HA ASN 115 38.240 7.250 -11.650 -ATOM 1659 CB ASN 115 36.890 5.480 -11.500 -ATOM 1660 2HB ASN 115 37.170 5.460 -12.660 -ATOM 1661 3HB ASN 115 35.730 5.270 -11.310 -ATOM 1662 CG ASN 115 37.900 4.510 -10.940 -ATOM 1663 OD1 ASN 115 39.050 4.480 -11.370 -ATOM 1664 ND2 ASN 115 37.480 3.720 -9.970 -ATOM 1665 2HD2 ASN 115 38.470 3.290 -9.480 -ATOM 1666 3HD2 ASN 115 36.420 3.250 -10.150 -ATOM 1667 C ASN 115 36.150 7.860 -11.770 -ATOM 1668 O ASN 115 36.310 8.300 -12.910 -ATOM 1669 N PHE 116 35.070 8.160 -11.040 -ATOM 1670 H PHE 116 34.830 7.390 -10.180 -ATOM 1671 CA PHE 116 34.040 9.030 -11.610 -ATOM 1672 HA PHE 116 33.780 8.540 -12.660 -ATOM 1673 CB PHE 116 32.880 9.250 -10.620 -ATOM 1674 2HB PHE 116 32.160 10.080 -11.070 -ATOM 1675 3HB PHE 116 33.330 9.510 -9.560 -ATOM 1676 CG PHE 116 31.990 8.040 -10.400 -ATOM 1677 CD1 PHE 116 32.430 6.750 -10.660 -ATOM 1678 HD1 PHE 116 33.050 6.450 -11.620 -ATOM 1679 CE1 PHE 116 31.620 5.660 -10.430 -ATOM 1680 HE1 PHE 116 32.000 4.550 -10.430 -ATOM 1681 CZ PHE 116 30.350 5.840 -9.940 -ATOM 1682 HZ PHE 116 29.640 5.000 -9.510 -ATOM 1683 CE2 PHE 116 29.900 7.110 -9.650 -ATOM 1684 HE2 PHE 116 28.910 7.230 -9.010 -ATOM 1685 CD2 PHE 116 30.720 8.200 -9.880 -ATOM 1686 HD2 PHE 116 30.130 9.220 -9.810 -ATOM 1687 C PHE 116 34.610 10.390 -12.010 -ATOM 1688 O PHE 116 34.130 11.010 -12.960 -ATOM 1689 N ASN 117 35.640 10.870 -11.300 -ATOM 1690 H ASN 117 35.730 10.500 -10.180 -ATOM 1691 CA ASN 117 36.130 12.230 -11.510 -ATOM 1692 HA ASN 117 35.200 12.950 -11.610 -ATOM 1693 CB ASN 117 37.050 12.620 -10.360 -ATOM 1694 2HB ASN 117 37.340 13.760 -10.560 -ATOM 1695 3HB ASN 117 38.050 11.980 -10.400 -ATOM 1696 CG ASN 117 36.290 12.830 -9.080 -ATOM 1697 OD1 ASN 117 35.160 13.300 -9.110 -ATOM 1698 ND2 ASN 117 36.910 12.480 -7.940 -ATOM 1699 2HD2 ASN 117 36.850 12.990 -6.880 -ATOM 1700 3HD2 ASN 117 37.480 11.450 -7.930 -ATOM 1701 C ASN 117 36.860 12.430 -12.840 -ATOM 1702 O ASN 117 37.260 13.570 -13.140 -ATOM 1703 N GLN 118 37.060 11.370 -13.640 -ATOM 1704 H GLN 118 37.120 10.320 -13.110 -ATOM 1705 CA GLN 118 37.640 11.480 -14.970 -ATOM 1706 HA GLN 118 38.220 12.510 -15.060 -ATOM 1707 CB GLN 118 38.450 10.210 -15.290 -ATOM 1708 2HB GLN 118 38.840 10.520 -16.370 -ATOM 1709 3HB GLN 118 37.840 9.190 -15.390 -ATOM 1710 CG GLN 118 39.580 9.940 -14.300 -ATOM 1711 2HG GLN 118 40.050 8.880 -14.590 -ATOM 1712 3HG GLN 118 39.260 9.670 -13.180 -ATOM 1713 CD GLN 118 40.620 11.010 -14.350 -ATOM 1714 OE1 GLN 118 40.990 11.470 -15.440 -ATOM 1715 NE2 GLN 118 41.090 11.460 -13.190 -ATOM 1716 2HE2 GLN 118 41.820 10.620 -12.760 -ATOM 1717 3HE2 GLN 118 40.780 12.580 -12.970 -ATOM 1718 C GLN 118 36.600 11.740 -16.050 -ATOM 1719 O GLN 118 36.950 11.820 -17.230 -ATOM 1720 N HIE 119 35.340 11.910 -15.680 -ATOM 1721 H HIE 119 35.370 12.780 -14.870 -ATOM 1722 CA HIE 119 34.250 12.220 -16.600 -ATOM 1723 HA HIE 119 34.730 12.520 -17.640 -ATOM 1724 CB HIE 119 33.380 11.010 -16.810 -ATOM 1725 2HB HIE 119 32.550 11.220 -17.630 -ATOM 1726 3HB HIE 119 32.990 10.740 -15.730 -ATOM 1727 CG HIE 119 34.160 9.790 -17.150 -ATOM 1728 ND1 HIE 119 34.480 9.450 -18.450 -ATOM 1729 CE1 HIE 119 35.170 8.320 -18.450 -ATOM 1730 HE1 HIE 119 35.220 7.800 -19.510 -ATOM 1731 NE2 HIE 119 35.320 7.920 -17.200 -ATOM 1732 HE2 HIE 119 36.320 7.360 -16.900 -ATOM 1733 CD2 HIE 119 34.700 8.820 -16.370 -ATOM 1734 HD2 HIE 119 35.060 8.900 -15.240 -ATOM 1735 C HIE 119 33.430 13.360 -16.040 -ATOM 1736 O HIE 119 33.160 13.400 -14.840 -ATOM 1737 N GLU 120 33.020 14.290 -16.900 -ATOM 1738 H GLU 120 33.770 14.540 -17.780 -ATOM 1739 CA GLU 120 32.350 15.450 -16.340 -ATOM 1740 HA GLU 120 32.830 15.900 -15.350 -ATOM 1741 CB GLU 120 32.470 16.650 -17.290 -ATOM 1742 2HB GLU 120 31.750 17.580 -17.050 -ATOM 1743 3HB GLU 120 32.210 16.470 -18.450 -ATOM 1744 CG GLU 120 33.900 17.210 -17.340 -ATOM 1745 2HG GLU 120 33.870 18.240 -17.960 -ATOM 1746 3HG GLU 120 34.830 16.710 -17.890 -ATOM 1747 CD GLU 120 34.360 17.780 -15.980 -ATOM 1748 OE1 GLU 120 33.540 18.470 -15.320 -ATOM 1749 OE2 GLU 120 35.520 17.520 -15.550 -ATOM 1750 C GLU 120 30.890 15.180 -16.000 -ATOM 1751 O GLU 120 30.310 15.940 -15.210 -ATOM 1752 N VAL 121 30.300 14.120 -16.560 -ATOM 1753 H VAL 121 30.950 13.150 -16.710 -ATOM 1754 CA VAL 121 28.890 13.800 -16.360 -ATOM 1755 HA VAL 121 28.640 14.270 -15.300 -ATOM 1756 CB VAL 121 27.970 14.430 -17.440 -ATOM 1757 HB VAL 121 28.370 14.080 -18.500 -ATOM 1758 CG1 VAL 121 26.510 14.130 -17.100 -ATOM 1759 2HG1 VAL 121 25.910 14.630 -18.010 -ATOM 1760 3HG1 VAL 121 26.070 13.040 -16.940 -ATOM 1761 4HG1 VAL 121 26.150 14.830 -16.200 -ATOM 1762 CG2 VAL 121 28.180 15.930 -17.580 -ATOM 1763 2HG2 VAL 121 27.510 16.440 -18.430 -ATOM 1764 3HG2 VAL 121 27.930 16.740 -16.730 -ATOM 1765 4HG2 VAL 121 29.220 16.290 -18.050 -ATOM 1766 C VAL 121 28.730 12.300 -16.420 -ATOM 1767 O VAL 121 29.210 11.670 -17.370 -ATOM 1768 N LEU 122 28.040 11.710 -15.450 -ATOM 1769 H LEU 122 27.170 12.280 -14.880 -ATOM 1770 CA LEU 122 27.870 10.260 -15.470 -ATOM 1771 HA LEU 122 27.800 10.000 -16.630 -ATOM 1772 CB LEU 122 28.880 9.540 -14.560 -ATOM 1773 2HB LEU 122 28.860 8.480 -15.080 -ATOM 1774 3HB LEU 122 28.400 9.450 -13.480 -ATOM 1775 CG LEU 122 30.360 9.900 -14.500 -ATOM 1776 HG LEU 122 30.640 10.280 -15.590 -ATOM 1777 CD1 LEU 122 30.570 10.950 -13.430 -ATOM 1778 2HD1 LEU 122 31.690 11.330 -13.570 -ATOM 1779 3HD1 LEU 122 30.010 12.000 -13.570 -ATOM 1780 4HD1 LEU 122 30.260 10.610 -12.340 -ATOM 1781 CD2 LEU 122 31.170 8.640 -14.190 -ATOM 1782 2HD2 LEU 122 32.330 8.880 -14.320 -ATOM 1783 3HD2 LEU 122 30.920 8.250 -13.100 -ATOM 1784 4HD2 LEU 122 31.060 7.770 -14.990 -ATOM 1785 C LEU 122 26.470 9.860 -15.030 -ATOM 1786 O LEU 122 25.820 10.550 -14.250 -ATOM 1787 N LEU 123 26.030 8.720 -15.550 -ATOM 1788 H LEU 123 26.830 7.950 -15.950 -ATOM 1789 CA LEU 123 24.840 8.010 -15.120 -ATOM 1790 HA LEU 123 24.260 8.780 -14.420 -ATOM 1791 CB LEU 123 23.980 7.610 -16.320 -ATOM 1792 2HB LEU 123 24.660 7.200 -17.210 -ATOM 1793 3HB LEU 123 23.650 8.650 -16.790 -ATOM 1794 CG LEU 123 22.770 6.750 -15.970 -ATOM 1795 HG LEU 123 23.050 5.860 -15.240 -ATOM 1796 CD1 LEU 123 21.740 7.580 -15.160 -ATOM 1797 2HD1 LEU 123 20.830 6.870 -14.850 -ATOM 1798 3HD1 LEU 123 21.900 8.140 -14.120 -ATOM 1799 4HD1 LEU 123 21.370 8.430 -15.910 -ATOM 1800 CD2 LEU 123 22.160 6.150 -17.230 -ATOM 1801 2HD2 LEU 123 21.340 5.340 -16.940 -ATOM 1802 3HD2 LEU 123 21.610 7.010 -17.830 -ATOM 1803 4HD2 LEU 123 22.910 5.620 -18.000 -ATOM 1804 C LEU 123 25.300 6.770 -14.370 -ATOM 1805 O LEU 123 25.930 5.900 -14.960 -ATOM 1806 N ALA 124 25.010 6.690 -13.070 -ATOM 1807 H ALA 124 23.830 6.640 -12.960 -ATOM 1808 CA ALA 124 25.680 5.680 -12.260 -ATOM 1809 HA ALA 124 25.770 4.810 -13.050 -ATOM 1810 CB ALA 124 26.870 6.250 -11.470 -ATOM 1811 2HB ALA 124 27.440 5.520 -10.720 -ATOM 1812 3HB ALA 124 27.550 6.910 -12.190 -ATOM 1813 4HB ALA 124 26.360 7.090 -10.790 -ATOM 1814 C ALA 124 24.740 5.030 -11.260 -ATOM 1815 O ALA 124 23.760 5.640 -10.810 -ATOM 1816 N PRO 125 25.040 3.800 -10.870 -ATOM 1817 CA PRO 125 24.380 3.170 -9.720 -ATOM 1818 HA PRO 125 23.260 3.550 -9.570 -ATOM 1819 CB PRO 125 24.370 1.690 -10.120 -ATOM 1820 2HB PRO 125 23.360 1.590 -10.730 -ATOM 1821 3HB PRO 125 24.300 0.840 -9.290 -ATOM 1822 CG PRO 125 25.670 1.540 -10.850 -ATOM 1823 2HG PRO 125 25.830 0.580 -11.540 -ATOM 1824 3HG PRO 125 26.510 1.400 -10.020 -ATOM 1825 CD PRO 125 25.870 2.830 -11.610 -ATOM 1826 2HD PRO 125 25.690 2.520 -12.740 -ATOM 1827 3HD PRO 125 27.000 3.060 -11.310 -ATOM 1828 C PRO 125 25.220 3.400 -8.480 -ATOM 1829 O PRO 125 26.290 4.000 -8.530 -ATOM 1830 N LEU 126 24.710 2.920 -7.350 -ATOM 1831 H LEU 126 23.600 3.350 -7.300 -ATOM 1832 CA LEU 126 25.500 2.930 -6.120 -ATOM 1833 HA LEU 126 26.140 3.910 -6.310 -ATOM 1834 CB LEU 126 24.600 2.850 -4.900 -ATOM 1835 2HB LEU 126 25.380 2.510 -4.070 -ATOM 1836 3HB LEU 126 23.810 2.000 -5.160 -ATOM 1837 CG LEU 126 23.960 4.160 -4.520 -ATOM 1838 HG LEU 126 23.110 4.520 -5.280 -ATOM 1839 CD1 LEU 126 23.320 3.990 -3.170 -ATOM 1840 2HD1 LEU 126 22.960 5.090 -2.870 -ATOM 1841 3HD1 LEU 126 22.340 3.370 -3.410 -ATOM 1842 4HD1 LEU 126 23.930 3.500 -2.270 -ATOM 1843 CD2 LEU 126 25.030 5.240 -4.510 -ATOM 1844 2HD2 LEU 126 24.390 6.240 -4.340 -ATOM 1845 3HD2 LEU 126 25.700 4.990 -3.560 -ATOM 1846 4HD2 LEU 126 25.740 5.760 -5.320 -ATOM 1847 C LEU 126 26.460 1.750 -6.110 -ATOM 1848 O LEU 126 26.040 0.600 -6.170 -ATOM 1849 N LEU 127 27.760 2.040 -6.010 -ATOM 1850 H LEU 127 28.040 3.140 -6.320 -ATOM 1851 CA LEU 127 28.730 0.960 -5.970 -ATOM 1852 HA LEU 127 28.470 0.250 -6.880 -ATOM 1853 CB LEU 127 30.130 1.510 -6.160 -ATOM 1854 2HB LEU 127 30.920 0.620 -6.120 -ATOM 1855 3HB LEU 127 30.320 2.270 -5.260 -ATOM 1856 CG LEU 127 30.290 2.330 -7.430 -ATOM 1857 HG LEU 127 29.620 3.260 -7.730 -ATOM 1858 CD1 LEU 127 31.640 2.980 -7.380 -ATOM 1859 2HD1 LEU 127 31.870 3.820 -8.190 -ATOM 1860 3HD1 LEU 127 31.890 3.580 -6.370 -ATOM 1861 4HD1 LEU 127 32.430 2.090 -7.410 -ATOM 1862 CD2 LEU 127 30.140 1.470 -8.700 -ATOM 1863 2HD2 LEU 127 30.470 2.040 -9.700 -ATOM 1864 3HD2 LEU 127 30.710 0.430 -8.670 -ATOM 1865 4HD2 LEU 127 28.990 1.290 -8.960 -ATOM 1866 C LEU 127 28.660 0.180 -4.650 -ATOM 1867 O LEU 127 28.480 0.750 -3.580 -ATOM 1868 N SER 128 28.780 -1.140 -4.760 -ATOM 1869 H SER 128 29.470 -1.450 -5.680 -ATOM 1870 CA SER 128 28.880 -2.120 -3.680 -ATOM 1871 HA SER 128 28.930 -3.080 -4.360 -ATOM 1872 CB SER 128 30.100 -1.840 -2.790 -ATOM 1873 2HB SER 128 30.310 -2.620 -1.910 -ATOM 1874 3HB SER 128 29.960 -0.790 -2.260 -ATOM 1875 OG SER 128 31.310 -2.020 -3.520 -ATOM 1876 HG SER 128 31.670 -2.760 -4.370 -ATOM 1877 C SER 128 27.630 -2.230 -2.820 -ATOM 1878 O SER 128 27.650 -2.950 -1.810 -ATOM 1879 N ALA 129 26.540 -1.570 -3.210 -ATOM 1880 H ALA 129 26.420 -1.020 -4.250 -ATOM 1881 CA ALA 129 25.340 -1.470 -2.380 -ATOM 1882 HA ALA 129 25.610 -1.500 -1.220 -ATOM 1883 CB ALA 129 24.640 -0.140 -2.640 -ATOM 1884 2HB ALA 129 23.620 -0.170 -2.020 -ATOM 1885 3HB ALA 129 25.440 0.690 -2.360 -ATOM 1886 4HB ALA 129 24.270 -0.120 -3.770 -ATOM 1887 C ALA 129 24.350 -2.610 -2.580 -ATOM 1888 O ALA 129 23.320 -2.640 -1.880 -ATOM 1889 N GLY 130 24.610 -3.530 -3.510 -ATOM 1890 H GLY 130 24.850 -3.090 -4.580 -ATOM 1891 CA GLY 130 23.740 -4.680 -3.680 -ATOM 1892 2HA GLY 130 23.050 -4.560 -4.650 -ATOM 1893 3HA GLY 130 22.800 -4.810 -2.940 -ATOM 1894 C GLY 130 24.380 -6.000 -3.280 -ATOM 1895 O GLY 130 24.530 -6.290 -2.090 -ATOM 1896 N ILE 131 24.770 -6.790 -4.290 -ATOM 1897 H ILE 131 23.870 -6.710 -5.060 -ATOM 1898 CA ILE 131 25.410 -8.080 -4.050 -ATOM 1899 HA ILE 131 24.660 -8.720 -3.370 -ATOM 1900 CB ILE 131 25.730 -8.770 -5.390 -ATOM 1901 HB ILE 131 26.450 -8.190 -6.130 -ATOM 1902 CG2 ILE 131 26.570 -10.030 -5.180 -ATOM 1903 2HG2 ILE 131 26.690 -10.740 -6.140 -ATOM 1904 3HG2 ILE 131 27.690 -10.100 -4.770 -ATOM 1905 4HG2 ILE 131 26.030 -10.780 -4.420 -ATOM 1906 CG1 ILE 131 24.440 -9.060 -6.160 -ATOM 1907 2HG1 ILE 131 23.350 -8.710 -5.790 -ATOM 1908 3HG1 ILE 131 24.130 -10.200 -5.920 -ATOM 1909 CD ILE 131 24.490 -8.700 -7.650 -ATOM 1910 2HD ILE 131 23.380 -8.680 -8.090 -ATOM 1911 3HD ILE 131 24.850 -7.610 -8.000 -ATOM 1912 4HD ILE 131 25.020 -9.510 -8.350 -ATOM 1913 C ILE 131 26.670 -7.920 -3.210 -ATOM 1914 O ILE 131 26.980 -8.760 -2.360 -ATOM 1915 N PHE 132 27.440 -6.860 -3.460 -ATOM 1916 H PHE 132 27.270 -6.500 -4.570 -ATOM 1917 CA PHE 132 28.710 -6.690 -2.770 -ATOM 1918 HA PHE 132 29.190 -7.770 -2.640 -ATOM 1919 CB PHE 132 29.520 -5.620 -3.480 -ATOM 1920 2HB PHE 132 30.230 -5.010 -2.740 -ATOM 1921 3HB PHE 132 28.580 -4.950 -3.780 -ATOM 1922 CG PHE 132 30.220 -6.100 -4.690 -ATOM 1923 CD1 PHE 132 30.150 -7.450 -5.040 -ATOM 1924 HD1 PHE 132 29.310 -8.280 -4.940 -ATOM 1925 CE1 PHE 132 30.810 -7.920 -6.150 -ATOM 1926 HE1 PHE 132 30.590 -9.010 -6.600 -ATOM 1927 CZ PHE 132 31.530 -7.040 -6.950 -ATOM 1928 HZ PHE 132 32.390 -7.560 -7.580 -ATOM 1929 CE2 PHE 132 31.590 -5.680 -6.620 -ATOM 1930 HE2 PHE 132 32.440 -5.080 -7.180 -ATOM 1931 CD2 PHE 132 30.940 -5.220 -5.490 -ATOM 1932 HD2 PHE 132 30.650 -4.160 -5.920 -ATOM 1933 C PHE 132 28.540 -6.360 -1.300 -ATOM 1934 O PHE 132 29.500 -6.500 -0.530 -ATOM 1935 N GLY 133 27.360 -5.890 -0.890 -ATOM 1936 H GLY 133 26.570 -5.260 -1.510 -ATOM 1937 CA GLY 133 27.010 -5.890 0.510 -ATOM 1938 2HA GLY 133 27.440 -6.720 1.260 -ATOM 1939 3HA GLY 133 25.850 -6.050 0.730 -ATOM 1940 C GLY 133 27.400 -4.660 1.310 -ATOM 1941 O GLY 133 27.290 -4.700 2.540 -ATOM 1942 N ALA 134 27.840 -3.580 0.690 -ATOM 1943 H ALA 134 28.640 -3.810 -0.160 -ATOM 1944 CA ALA 134 28.070 -2.360 1.460 -ATOM 1945 HA ALA 134 28.690 -2.620 2.440 -ATOM 1946 CB ALA 134 28.890 -1.340 0.670 -ATOM 1947 2HB ALA 134 29.080 -0.440 1.440 -ATOM 1948 3HB ALA 134 30.000 -1.690 0.420 -ATOM 1949 4HB ALA 134 28.250 -0.820 -0.190 -ATOM 1950 C ALA 134 26.750 -1.730 1.870 -ATOM 1951 O ALA 134 25.720 -1.890 1.210 -ATOM 1952 N ASP 135 26.790 -1.020 2.980 -ATOM 1953 H ASP 135 27.350 -1.530 3.900 -ATOM 1954 CA ASP 135 25.670 -0.210 3.420 -ATOM 1955 HA ASP 135 24.890 -1.040 3.750 -ATOM 1956 CB ASP 135 26.020 0.440 4.760 -ATOM 1957 2HB ASP 135 27.120 0.690 5.160 -ATOM 1958 3HB ASP 135 25.770 -0.350 5.630 -ATOM 1959 CG ASP 135 24.970 1.420 5.250 -ATOM 1960 OD1 ASP 135 23.870 1.550 4.640 -ATOM 1961 OD2 ASP 135 25.270 2.060 6.300 -ATOM 1962 C ASP 135 25.410 0.840 2.330 -ATOM 1963 O ASP 135 26.290 1.660 2.050 -ATOM 1964 N PRO 136 24.240 0.820 1.680 -ATOM 1965 CA PRO 136 23.980 1.820 0.630 -ATOM 1966 HA PRO 136 24.790 1.560 -0.180 -ATOM 1967 CB PRO 136 22.520 1.550 0.210 -ATOM 1968 2HB PRO 136 22.460 1.670 -0.970 -ATOM 1969 3HB PRO 136 21.810 2.310 0.780 -ATOM 1970 CG PRO 136 22.150 0.260 0.820 -ATOM 1971 2HG PRO 136 22.190 -0.630 0.030 -ATOM 1972 3HG PRO 136 21.070 -0.030 1.260 -ATOM 1973 CD PRO 136 23.030 0.060 2.030 -ATOM 1974 2HD PRO 136 23.150 -1.130 2.100 -ATOM 1975 3HD PRO 136 22.460 0.180 3.080 -ATOM 1976 C PRO 136 24.130 3.240 1.140 -ATOM 1977 O PRO 136 24.640 4.090 0.410 -ATOM 1978 N ILE 137 23.690 3.510 2.370 -ATOM 1979 H ILE 137 23.050 2.710 2.950 -ATOM 1980 CA ILE 137 23.870 4.830 2.940 -ATOM 1981 HA ILE 137 23.420 5.500 2.070 -ATOM 1982 CB ILE 137 23.220 4.890 4.330 -ATOM 1983 HB ILE 137 23.560 4.030 5.080 -ATOM 1984 CG2 ILE 137 23.590 6.180 5.080 -ATOM 1985 2HG2 ILE 137 23.710 5.870 6.240 -ATOM 1986 3HG2 ILE 137 24.720 6.570 5.060 -ATOM 1987 4HG2 ILE 137 22.910 7.120 5.360 -ATOM 1988 CG1 ILE 137 21.710 4.750 4.200 -ATOM 1989 2HG1 ILE 137 21.280 3.750 3.710 -ATOM 1990 3HG1 ILE 137 21.080 5.600 3.660 -ATOM 1991 CD ILE 137 21.000 4.730 5.530 -ATOM 1992 2HD ILE 137 19.820 4.730 5.730 -ATOM 1993 3HD ILE 137 21.380 3.750 6.120 -ATOM 1994 4HD ILE 137 21.240 5.510 6.410 -ATOM 1995 C ILE 137 25.340 5.180 3.000 -ATOM 1996 O ILE 137 25.770 6.300 2.680 -ATOM 1997 N HIE 138 26.160 4.210 3.390 -ATOM 1998 H HIE 138 25.920 3.840 4.490 -ATOM 1999 CA HIE 138 27.600 4.430 3.390 -ATOM 2000 HA HIE 138 27.860 5.330 4.110 -ATOM 2001 CB HIE 138 28.310 3.220 3.980 -ATOM 2002 2HB HIE 138 28.150 2.120 3.560 -ATOM 2003 3HB HIE 138 28.240 3.160 5.180 -ATOM 2004 CG HIE 138 29.790 3.330 3.900 -ATOM 2005 ND1 HIE 138 30.500 4.300 4.570 -ATOM 2006 CE1 HIE 138 31.780 4.190 4.280 -ATOM 2007 HE1 HIE 138 32.540 4.550 5.120 -ATOM 2008 NE2 HIE 138 31.930 3.190 3.430 -ATOM 2009 HE2 HIE 138 33.080 3.030 3.240 -ATOM 2010 CD2 HIE 138 30.690 2.630 3.170 -ATOM 2011 HD2 HIE 138 30.350 1.540 2.870 -ATOM 2012 C HIE 138 28.100 4.720 1.980 -ATOM 2013 O HIE 138 28.890 5.640 1.770 -ATOM 2014 N SER 139 27.650 3.940 0.990 -ATOM 2015 H SER 139 27.140 2.880 1.030 -ATOM 2016 CA SER 139 28.100 4.110 -0.390 -ATOM 2017 HA SER 139 29.290 4.130 -0.290 -ATOM 2018 CB SER 139 27.530 3.000 -1.270 -ATOM 2019 2HB SER 139 26.370 3.140 -1.510 -ATOM 2020 3HB SER 139 27.780 1.890 -0.940 -ATOM 2021 OG SER 139 28.080 3.050 -2.580 -ATOM 2022 HG SER 139 28.970 3.040 -3.340 -ATOM 2023 C SER 139 27.730 5.480 -0.940 -ATOM 2024 O SER 139 28.540 6.140 -1.600 -ATOM 2025 N LEU 140 26.490 5.930 -0.690 -ATOM 2026 H LEU 140 25.860 5.520 0.220 -ATOM 2027 CA LEU 140 26.090 7.270 -1.090 -ATOM 2028 HA LEU 140 26.310 7.260 -2.260 -ATOM 2029 CB LEU 140 24.610 7.510 -0.800 -ATOM 2030 2HB LEU 140 24.390 7.350 0.360 -ATOM 2031 3HB LEU 140 24.090 6.740 -1.540 -ATOM 2032 CG LEU 140 24.100 8.930 -1.030 -ATOM 2033 HG LEU 140 24.600 9.710 -0.290 -ATOM 2034 CD1 LEU 140 24.420 9.380 -2.430 -ATOM 2035 2HD1 LEU 140 24.060 10.520 -2.510 -ATOM 2036 3HD1 LEU 140 25.500 9.400 -2.930 -ATOM 2037 4HD1 LEU 140 23.740 8.770 -3.200 -ATOM 2038 CD2 LEU 140 22.620 8.990 -0.780 -ATOM 2039 2HD2 LEU 140 22.270 10.130 -0.730 -ATOM 2040 3HD2 LEU 140 21.950 8.590 -1.690 -ATOM 2041 4HD2 LEU 140 22.280 8.600 0.290 -ATOM 2042 C LEU 140 26.920 8.330 -0.380 -ATOM 2043 O LEU 140 27.310 9.340 -0.980 -ATOM 2044 N ARG 141 27.230 8.100 0.890 -ATOM 2045 H ARG 141 27.080 7.090 1.470 -ATOM 2046 CA ARG 141 28.040 9.050 1.630 -ATOM 2047 HA ARG 141 27.480 10.100 1.610 -ATOM 2048 CB ARG 141 28.130 8.630 3.090 -ATOM 2049 2HB ARG 141 28.800 7.660 3.310 -ATOM 2050 3HB ARG 141 27.070 8.470 3.610 -ATOM 2051 CG ARG 141 28.710 9.680 4.000 -ATOM 2052 2HG ARG 141 28.260 9.550 5.110 -ATOM 2053 3HG ARG 141 28.340 10.810 3.820 -ATOM 2054 CD ARG 141 30.210 9.580 4.070 -ATOM 2055 2HD ARG 141 30.760 10.040 3.120 -ATOM 2056 3HD ARG 141 30.800 8.570 4.280 -ATOM 2057 NE ARG 141 30.740 10.500 5.060 -ATOM 2058 HE ARG 141 30.570 11.680 4.980 -ATOM 2059 CZ ARG 141 30.770 10.240 6.360 -ATOM 2060 NH1 ARG 141 30.290 9.090 6.810 -ATOM 2061 2HH1 ARG 141 31.240 8.370 6.920 -ATOM 2062 3HH1 ARG 141 29.550 9.090 7.750 -ATOM 2063 NH2 ARG 141 31.280 11.140 7.210 -ATOM 2064 2HH2 ARG 141 31.830 12.170 6.980 -ATOM 2065 3HH2 ARG 141 31.390 11.040 8.390 -ATOM 2066 C ARG 141 29.430 9.190 1.010 -ATOM 2067 O ARG 141 29.950 10.310 0.890 -ATOM 2068 N VAL 142 30.060 8.070 0.640 -ATOM 2069 H VAL 142 29.590 7.000 0.460 -ATOM 2070 CA VAL 142 31.410 8.150 0.100 -ATOM 2071 HA VAL 142 32.040 8.840 0.830 -ATOM 2072 CB VAL 142 32.120 6.780 0.100 -ATOM 2073 HB VAL 142 31.540 5.950 -0.520 -ATOM 2074 CG1 VAL 142 33.480 6.900 -0.540 -ATOM 2075 2HG1 VAL 142 33.950 5.800 -0.480 -ATOM 2076 3HG1 VAL 142 33.460 7.220 -1.680 -ATOM 2077 4HG1 VAL 142 34.170 7.520 0.220 -ATOM 2078 CG2 VAL 142 32.290 6.280 1.490 -ATOM 2079 2HG2 VAL 142 32.890 5.240 1.570 -ATOM 2080 3HG2 VAL 142 32.950 6.910 2.260 -ATOM 2081 4HG2 VAL 142 31.340 6.100 2.190 -ATOM 2082 C VAL 142 31.360 8.720 -1.300 -ATOM 2083 O VAL 142 32.260 9.460 -1.710 -ATOM 2084 N CYS 143 30.300 8.410 -2.050 -ATOM 2085 H CYS 143 29.270 7.930 -1.740 -ATOM 2086 CA CYS 143 30.130 9.020 -3.370 -ATOM 2087 HA CYS 143 31.020 8.640 -4.060 -ATOM 2088 CB CYS 143 28.890 8.470 -4.040 -ATOM 2089 2HB CYS 143 27.890 8.960 -3.640 -ATOM 2090 3HB CYS 143 28.610 7.470 -4.620 -ATOM 2091 SG CYS 143 28.450 9.380 -5.540 -ATOM 2092 HG CYS 143 27.840 9.420 -6.540 -ATOM 2093 C CYS 143 30.040 10.550 -3.270 -ATOM 2094 O CYS 143 30.690 11.290 -4.030 -ATOM 2095 N VAL 144 29.220 11.040 -2.350 -ATOM 2096 H VAL 144 29.010 10.460 -1.340 -ATOM 2097 CA VAL 144 29.050 12.480 -2.190 -ATOM 2098 HA VAL 144 29.040 13.020 -3.250 -ATOM 2099 CB VAL 144 27.860 12.730 -1.250 -ATOM 2100 HB VAL 144 27.740 12.080 -0.260 -ATOM 2101 CG1 VAL 144 27.930 14.050 -0.570 -ATOM 2102 2HG1 VAL 144 26.950 14.460 -0.030 -ATOM 2103 3HG1 VAL 144 28.600 14.040 0.430 -ATOM 2104 4HG1 VAL 144 28.430 15.020 -1.070 -ATOM 2105 CG2 VAL 144 26.580 12.600 -2.040 -ATOM 2106 2HG2 VAL 144 25.670 12.370 -1.300 -ATOM 2107 3HG2 VAL 144 26.270 13.640 -2.530 -ATOM 2108 4HG2 VAL 144 26.660 11.660 -2.770 -ATOM 2109 C VAL 144 30.350 13.120 -1.710 -ATOM 2110 O VAL 144 30.710 14.220 -2.150 -ATOM 2111 N ASP 145 31.100 12.430 -0.850 -ATOM 2112 H ASP 145 30.730 11.690 -0.010 -ATOM 2113 CA ASP 145 32.370 12.930 -0.330 -ATOM 2114 HA ASP 145 32.330 14.110 -0.100 -ATOM 2115 CB ASP 145 32.760 12.190 0.950 -ATOM 2116 2HB ASP 145 33.710 12.810 1.340 -ATOM 2117 3HB ASP 145 33.130 11.060 0.990 -ATOM 2118 CG ASP 145 31.960 12.620 2.180 -ATOM 2119 OD1 ASP 145 31.220 13.640 2.130 -ATOM 2120 OD2 ASP 145 32.060 11.910 3.200 -ATOM 2121 C ASP 145 33.530 12.820 -1.310 -ATOM 2122 O ASP 145 34.520 13.530 -1.150 -ATOM 2123 N THR 146 33.430 11.940 -2.290 -ATOM 2124 H THR 146 32.360 11.510 -2.550 -ATOM 2125 CA THR 146 34.510 11.630 -3.210 -ATOM 2126 HA THR 146 35.470 12.190 -2.790 -ATOM 2127 CB THR 146 34.660 10.100 -3.340 -ATOM 2128 HB THR 146 33.700 9.610 -3.840 -ATOM 2129 CG2 THR 146 35.880 9.750 -4.150 -ATOM 2130 2HG2 THR 146 36.080 8.580 -4.080 -ATOM 2131 3HG2 THR 146 35.640 9.980 -5.300 -ATOM 2132 4HG2 THR 146 36.850 10.440 -3.970 -ATOM 2133 OG1 THR 146 34.760 9.510 -2.040 -ATOM 2134 HG1 THR 146 34.420 9.730 -0.930 -ATOM 2135 C THR 146 34.340 12.220 -4.600 -ATOM 2136 O THR 146 35.310 12.720 -5.170 -ATOM 2137 N VAL 147 33.140 12.180 -5.160 -ATOM 2138 H VAL 147 32.290 12.700 -4.530 -ATOM 2139 CA VAL 147 32.950 12.610 -6.540 -ATOM 2140 HA VAL 147 33.910 12.150 -7.070 -ATOM 2141 CB VAL 147 31.750 11.880 -7.180 -ATOM 2142 HB VAL 147 30.740 12.250 -6.690 -ATOM 2143 CG1 VAL 147 31.700 12.180 -8.680 -ATOM 2144 2HG1 VAL 147 30.890 11.510 -9.240 -ATOM 2145 3HG1 VAL 147 31.280 13.280 -8.850 -ATOM 2146 4HG1 VAL 147 32.770 12.060 -9.190 -ATOM 2147 CG2 VAL 147 31.850 10.380 -6.930 -ATOM 2148 2HG2 VAL 147 30.870 9.830 -7.320 -ATOM 2149 3HG2 VAL 147 32.860 9.910 -7.360 -ATOM 2150 4HG2 VAL 147 31.850 10.100 -5.770 -ATOM 2151 C VAL 147 32.750 14.110 -6.580 -ATOM 2152 O VAL 147 31.960 14.670 -5.820 -ATOM 2153 N ARG 148 33.480 14.770 -7.470 -ATOM 2154 H ARG 148 34.610 14.430 -7.540 -ATOM 2155 CA ARG 148 33.400 16.200 -7.690 -ATOM 2156 HA ARG 148 32.700 16.830 -6.960 -ATOM 2157 CB ARG 148 34.790 16.810 -7.620 -ATOM 2158 2HB ARG 148 34.680 17.970 -7.870 -ATOM 2159 3HB ARG 148 35.440 16.510 -8.580 -ATOM 2160 CG ARG 148 35.420 16.680 -6.230 -ATOM 2161 2HG ARG 148 35.240 15.630 -5.700 -ATOM 2162 3HG ARG 148 34.850 17.480 -5.540 -ATOM 2163 CD ARG 148 36.800 17.280 -6.210 -ATOM 2164 2HD ARG 148 37.260 17.500 -5.130 -ATOM 2165 3HD ARG 148 36.760 18.460 -6.470 -ATOM 2166 NE ARG 148 37.620 16.680 -7.250 -ATOM 2167 HE ARG 148 37.980 17.500 -8.040 -ATOM 2168 CZ ARG 148 38.300 15.560 -7.080 -ATOM 2169 NH1 ARG 148 38.260 14.940 -5.910 -ATOM 2170 2HH1 ARG 148 37.240 14.880 -5.310 -ATOM 2171 3HH1 ARG 148 38.880 14.110 -5.350 -ATOM 2172 NH2 ARG 148 39.020 15.050 -8.080 -ATOM 2173 2HH2 ARG 148 38.690 15.530 -9.110 -ATOM 2174 3HH2 ARG 148 39.860 14.240 -7.910 -ATOM 2175 C ARG 148 32.750 16.560 -9.020 -ATOM 2176 O ARG 148 32.310 17.700 -9.200 -ATOM 2177 N THR 149 32.660 15.610 -9.940 -ATOM 2178 H THR 149 33.490 14.760 -9.900 -ATOM 2179 CA THR 149 31.970 15.780 -11.210 -ATOM 2180 HA THR 149 32.060 16.940 -11.510 -ATOM 2181 CB THR 149 32.600 14.880 -12.250 -ATOM 2182 HB THR 149 31.940 14.840 -13.240 -ATOM 2183 CG2 THR 149 34.060 15.240 -12.450 -ATOM 2184 2HG2 THR 149 34.670 14.760 -13.360 -ATOM 2185 3HG2 THR 149 34.050 16.380 -12.840 -ATOM 2186 4HG2 THR 149 34.920 15.450 -11.630 -ATOM 2187 OG1 THR 149 32.550 13.530 -11.780 -ATOM 2188 HG1 THR 149 32.380 12.390 -11.550 -ATOM 2189 C THR 149 30.470 15.500 -11.030 -ATOM 2190 O THR 149 30.020 15.150 -9.940 -ATOM 2191 N ASN 150 29.690 15.650 -12.090 -ATOM 2192 H ASN 150 30.070 16.520 -12.810 -ATOM 2193 CA ASN 150 28.230 15.570 -11.990 -ATOM 2194 HA ASN 150 27.910 16.120 -10.990 -ATOM 2195 CB ASN 150 27.540 16.470 -13.010 -ATOM 2196 2HB ASN 150 26.350 16.530 -12.910 -ATOM 2197 3HB ASN 150 27.690 16.270 -14.170 -ATOM 2198 CG ASN 150 27.860 17.930 -12.800 -ATOM 2199 OD1 ASN 150 27.680 18.470 -11.710 -ATOM 2200 ND2 ASN 150 28.330 18.570 -13.840 -ATOM 2201 2HD2 ASN 150 28.770 19.640 -13.570 -ATOM 2202 3HD2 ASN 150 28.210 18.680 -15.020 -ATOM 2203 C ASN 150 27.790 14.130 -12.180 -ATOM 2204 O ASN 150 27.910 13.580 -13.280 -ATOM 2205 N VAL 151 27.270 13.520 -11.130 -ATOM 2206 H VAL 151 26.310 14.220 -10.980 -ATOM 2207 CA VAL 151 26.880 12.120 -11.160 -ATOM 2208 HA VAL 151 27.180 11.690 -12.220 -ATOM 2209 CB VAL 151 27.650 11.290 -10.120 -ATOM 2210 HB VAL 151 28.780 11.350 -10.500 -ATOM 2211 CG1 VAL 151 27.640 11.960 -8.750 -ATOM 2212 2HG1 VAL 151 28.400 11.420 -8.000 -ATOM 2213 3HG1 VAL 151 28.080 13.070 -8.850 -ATOM 2214 4HG1 VAL 151 26.560 11.790 -8.290 -ATOM 2215 CG2 VAL 151 27.100 9.900 -10.050 -ATOM 2216 2HG2 VAL 151 27.570 9.320 -9.120 -ATOM 2217 3HG2 VAL 151 25.920 9.810 -9.900 -ATOM 2218 4HG2 VAL 151 27.450 9.330 -11.030 -ATOM 2219 C VAL 151 25.380 12.040 -10.940 -ATOM 2220 O VAL 151 24.840 12.680 -10.020 -ATOM 2221 N TYR 152 24.700 11.300 -11.810 -ATOM 2222 H TYR 152 25.190 10.320 -12.270 -ATOM 2223 CA TYR 152 23.250 11.090 -11.750 -ATOM 2224 HA TYR 152 22.800 11.880 -10.980 -ATOM 2225 CB TYR 152 22.580 11.400 -13.090 -ATOM 2226 2HB TYR 152 21.480 10.960 -13.190 -ATOM 2227 3HB TYR 152 23.120 10.990 -14.060 -ATOM 2228 CG TYR 152 22.580 12.890 -13.390 -ATOM 2229 CD1 TYR 152 21.470 13.690 -13.100 -ATOM 2230 HD1 TYR 152 20.350 13.340 -12.970 -ATOM 2231 CE1 TYR 152 21.490 15.060 -13.360 -ATOM 2232 HE1 TYR 152 20.620 15.860 -13.290 -ATOM 2233 CZ TYR 152 22.640 15.640 -13.890 -ATOM 2234 OH TYR 152 22.700 16.980 -14.150 -ATOM 2235 HH TYR 152 22.520 18.060 -14.600 -ATOM 2236 CE2 TYR 152 23.750 14.860 -14.150 -ATOM 2237 HE2 TYR 152 24.530 15.550 -14.730 -ATOM 2238 CD2 TYR 152 23.720 13.500 -13.910 -ATOM 2239 HD2 TYR 152 24.710 13.020 -14.320 -ATOM 2240 C TYR 152 23.030 9.660 -11.330 -ATOM 2241 O TYR 152 23.260 8.730 -12.110 -ATOM 2242 N LEU 153 22.600 9.470 -10.080 -ATOM 2243 H LEU 153 21.560 10.040 -10.050 -ATOM 2244 CA LEU 153 22.400 8.150 -9.520 -ATOM 2245 HA LEU 153 23.240 7.460 -9.990 -ATOM 2246 CB LEU 153 22.590 8.160 -8.010 -ATOM 2247 2HB LEU 153 22.270 7.080 -7.620 -ATOM 2248 3HB LEU 153 21.880 8.980 -7.510 -ATOM 2249 CG LEU 153 23.970 8.610 -7.560 -ATOM 2250 HG LEU 153 24.300 9.640 -8.040 -ATOM 2251 CD1 LEU 153 24.010 8.940 -6.080 -ATOM 2252 2HD1 LEU 153 25.120 9.070 -5.670 -ATOM 2253 3HD1 LEU 153 23.430 9.950 -5.800 -ATOM 2254 4HD1 LEU 153 23.440 8.060 -5.500 -ATOM 2255 CD2 LEU 153 24.980 7.520 -7.900 -ATOM 2256 2HD2 LEU 153 26.030 7.590 -7.320 -ATOM 2257 3HD2 LEU 153 24.590 6.420 -7.650 -ATOM 2258 4HD2 LEU 153 25.340 7.500 -9.030 -ATOM 2259 C LEU 153 21.000 7.650 -9.870 -ATOM 2260 O LEU 153 20.010 8.310 -9.570 -ATOM 2261 N ALA 154 20.940 6.490 -10.490 -ATOM 2262 H ALA 154 21.670 6.260 -11.400 -ATOM 2263 CA ALA 154 19.690 5.760 -10.630 -ATOM 2264 HA ALA 154 18.780 6.510 -10.700 -ATOM 2265 CB ALA 154 19.580 5.110 -12.010 -ATOM 2266 2HB ALA 154 18.450 4.810 -12.230 -ATOM 2267 3HB ALA 154 19.810 5.920 -12.860 -ATOM 2268 4HB ALA 154 20.310 4.170 -11.910 -ATOM 2269 C ALA 154 19.650 4.710 -9.520 -ATOM 2270 O ALA 154 20.520 3.830 -9.450 -ATOM 2271 N VAL 155 18.670 4.840 -8.630 -ATOM 2272 H VAL 155 18.470 5.970 -8.350 -ATOM 2273 CA VAL 155 18.370 3.840 -7.610 -ATOM 2274 HA VAL 155 19.300 3.090 -7.610 -ATOM 2275 CB VAL 155 18.230 4.470 -6.220 -ATOM 2276 HB VAL 155 17.320 5.230 -6.300 -ATOM 2277 CG1 VAL 155 17.900 3.400 -5.190 -ATOM 2278 2HG1 VAL 155 17.600 3.820 -4.120 -ATOM 2279 3HG1 VAL 155 17.000 2.680 -5.470 -ATOM 2280 4HG1 VAL 155 18.840 2.670 -5.030 -ATOM 2281 CG2 VAL 155 19.470 5.240 -5.860 -ATOM 2282 2HG2 VAL 155 19.380 5.550 -4.720 -ATOM 2283 3HG2 VAL 155 20.420 4.520 -5.890 -ATOM 2284 4HG2 VAL 155 19.900 6.130 -6.540 -ATOM 2285 C VAL 155 17.080 3.160 -8.030 -ATOM 2286 O VAL 155 16.050 3.830 -8.200 -ATOM 2287 N PHE 156 17.110 1.840 -8.180 -ATOM 2288 H PHE 156 17.930 1.110 -7.730 -ATOM 2289 CA PHE 156 15.930 1.150 -8.700 -ATOM 2290 HA PHE 156 15.380 1.830 -9.500 -ATOM 2291 CB PHE 156 16.320 -0.210 -9.270 -ATOM 2292 2HB PHE 156 16.870 -1.020 -8.590 -ATOM 2293 3HB PHE 156 16.950 -0.110 -10.270 -ATOM 2294 CG PHE 156 15.170 -0.950 -9.880 -ATOM 2295 CD1 PHE 156 14.630 -0.520 -11.090 -ATOM 2296 HD1 PHE 156 14.090 0.530 -10.960 -ATOM 2297 CE1 PHE 156 13.560 -1.190 -11.650 -ATOM 2298 HE1 PHE 156 12.770 -0.900 -12.480 -ATOM 2299 CZ PHE 156 13.020 -2.290 -11.000 -ATOM 2300 HZ PHE 156 12.150 -2.950 -11.470 -ATOM 2301 CE2 PHE 156 13.550 -2.720 -9.790 -ATOM 2302 HE2 PHE 156 13.040 -3.650 -9.260 -ATOM 2303 CD2 PHE 156 14.610 -2.040 -9.230 -ATOM 2304 HD2 PHE 156 15.140 -2.800 -8.490 -ATOM 2305 C PHE 156 14.850 0.990 -7.640 -ATOM 2306 O PHE 156 13.700 1.350 -7.880 -ATOM 2307 N ASP 157 15.190 0.450 -6.460 -ATOM 2308 H ASP 157 16.230 -0.080 -6.230 -ATOM 2309 CA ASP 157 14.180 0.140 -5.460 -ATOM 2310 HA ASP 157 13.360 -0.480 -6.060 -ATOM 2311 CB ASP 157 14.730 -0.810 -4.410 -ATOM 2312 2HB ASP 157 15.700 -0.780 -3.720 -ATOM 2313 3HB ASP 157 14.980 -1.840 -4.960 -ATOM 2314 CG ASP 157 13.650 -1.360 -3.520 -ATOM 2315 OD1 ASP 157 13.550 -0.900 -2.360 -ATOM 2316 OD2 ASP 157 12.900 -2.240 -3.980 -ATOM 2317 C ASP 157 13.650 1.410 -4.790 -ATOM 2318 O ASP 157 14.440 2.230 -4.310 -ATOM 2319 N LYS 158 12.320 1.530 -4.710 -ATOM 2320 H LYS 158 11.590 0.730 -5.190 -ATOM 2321 CA LYS 158 11.720 2.750 -4.160 -ATOM 2322 HA LYS 158 12.160 3.640 -4.800 -ATOM 2323 CB LYS 158 10.210 2.760 -4.400 -ATOM 2324 2HB LYS 158 9.630 1.730 -4.190 -ATOM 2325 3HB LYS 158 9.960 2.790 -5.570 -ATOM 2326 CG LYS 158 9.470 3.770 -3.540 -ATOM 2327 2HG LYS 158 10.140 4.720 -3.330 -ATOM 2328 3HG LYS 158 9.060 3.270 -2.530 -ATOM 2329 CD LYS 158 8.230 4.310 -4.240 -ATOM 2330 2HD LYS 158 7.400 3.440 -4.250 -ATOM 2331 3HD LYS 158 8.190 4.620 -5.400 -ATOM 2332 CE LYS 158 7.580 5.440 -3.440 -ATOM 2333 2HE LYS 158 7.280 5.150 -2.320 -ATOM 2334 3HE LYS 158 6.490 5.630 -3.900 -ATOM 2335 NZ LYS 158 8.370 6.730 -3.530 -ATOM 2336 2HZ LYS 158 7.730 7.520 -2.890 -ATOM 2337 3HZ LYS 158 9.490 7.090 -3.350 -ATOM 2338 4HZ LYS 158 8.170 7.170 -4.630 -ATOM 2339 C LYS 158 12.010 2.900 -2.670 -ATOM 2340 O LYS 158 12.380 3.990 -2.210 -ATOM 2341 N ASN 159 11.860 1.820 -1.900 -ATOM 2342 H ASN 159 11.210 0.880 -2.230 -ATOM 2343 CA ASN 159 12.110 1.910 -0.460 -ATOM 2344 HA ASN 159 11.430 2.730 0.070 -ATOM 2345 CB ASN 159 11.730 0.600 0.220 -ATOM 2346 2HB ASN 159 12.100 0.590 1.360 -ATOM 2347 3HB ASN 159 12.030 -0.470 -0.210 -ATOM 2348 CG ASN 159 10.240 0.500 0.490 -ATOM 2349 OD1 ASN 159 9.510 1.490 0.400 -ATOM 2350 ND2 ASN 159 9.800 -0.700 0.830 -ATOM 2351 2HD2 ASN 159 8.620 -0.820 0.980 -ATOM 2352 3HD2 ASN 159 10.250 -1.760 1.140 -ATOM 2353 C ASN 159 13.560 2.250 -0.160 -ATOM 2354 O ASN 159 13.830 3.020 0.770 -ATOM 2355 N LEU 160 14.500 1.690 -0.920 -ATOM 2356 H LEU 160 14.410 0.530 -0.670 -ATOM 2357 CA LEU 160 15.910 2.060 -0.730 -ATOM 2358 HA LEU 160 15.960 1.780 0.430 -ATOM 2359 CB LEU 160 16.830 1.160 -1.540 -ATOM 2360 2HB LEU 160 16.550 1.150 -2.700 -ATOM 2361 3HB LEU 160 16.710 0.020 -1.200 -ATOM 2362 CG LEU 160 18.290 1.590 -1.350 -ATOM 2363 HG LEU 160 18.350 2.590 -1.970 -ATOM 2364 CD1 LEU 160 18.650 1.530 0.110 -ATOM 2365 2HD1 LEU 160 19.740 2.010 0.240 -ATOM 2366 3HD1 LEU 160 18.080 2.170 0.940 -ATOM 2367 4HD1 LEU 160 18.550 0.420 0.530 -ATOM 2368 CD2 LEU 160 19.260 0.800 -2.170 -ATOM 2369 2HD2 LEU 160 20.390 1.110 -2.000 -ATOM 2370 3HD2 LEU 160 19.240 -0.370 -1.880 -ATOM 2371 4HD2 LEU 160 19.020 0.660 -3.340 -ATOM 2372 C LEU 160 16.140 3.520 -1.100 -ATOM 2373 O LEU 160 16.850 4.240 -0.400 -ATOM 2374 N TYR 161 15.520 3.960 -2.190 -ATOM 2375 H TYR 161 14.710 3.240 -2.650 -ATOM 2376 CA TYR 161 15.670 5.340 -2.620 -ATOM 2377 HA TYR 161 16.720 5.840 -2.860 -ATOM 2378 CB TYR 161 15.010 5.510 -3.990 -ATOM 2379 2HB TYR 161 13.890 5.130 -3.910 -ATOM 2380 3HB TYR 161 15.360 4.950 -4.970 -ATOM 2381 CG TYR 161 14.700 6.910 -4.430 -ATOM 2382 CD1 TYR 161 15.650 7.700 -5.070 -ATOM 2383 HD1 TYR 161 16.760 7.310 -5.030 -ATOM 2384 CE1 TYR 161 15.340 8.960 -5.490 -ATOM 2385 HE1 TYR 161 15.900 9.830 -6.060 -ATOM 2386 CZ TYR 161 14.070 9.450 -5.280 -ATOM 2387 OH TYR 161 13.700 10.700 -5.690 -ATOM 2388 HH TYR 161 12.720 11.090 -6.240 -ATOM 2389 CE2 TYR 161 13.130 8.690 -4.660 -ATOM 2390 HE2 TYR 161 12.120 9.220 -4.330 -ATOM 2391 CD2 TYR 161 13.440 7.440 -4.230 -ATOM 2392 HD2 TYR 161 12.430 6.990 -3.810 -ATOM 2393 C TYR 161 15.090 6.300 -1.590 -ATOM 2394 O TYR 161 15.720 7.310 -1.250 -ATOM 2395 N ASP 162 13.900 5.990 -1.070 -ATOM 2396 H ASP 162 13.620 4.900 -0.740 -ATOM 2397 CA ASP 162 13.300 6.840 -0.050 -ATOM 2398 HA ASP 162 13.120 7.950 -0.440 -ATOM 2399 CB ASP 162 11.950 6.280 0.390 -ATOM 2400 2HB ASP 162 11.560 7.030 1.240 -ATOM 2401 3HB ASP 162 11.610 5.240 0.880 -ATOM 2402 CG ASP 162 10.810 6.600 -0.600 -ATOM 2403 OD1 ASP 162 11.000 7.430 -1.530 -ATOM 2404 OD2 ASP 162 9.700 6.020 -0.430 -ATOM 2405 C ASP 162 14.240 6.970 1.150 -ATOM 2406 O ASP 162 14.550 8.080 1.600 -ATOM 2407 N LYS 163 14.740 5.830 1.640 -ATOM 2408 H LYS 163 13.780 5.250 2.050 -ATOM 2409 CA LYS 163 15.630 5.820 2.790 -ATOM 2410 HA LYS 163 15.100 6.290 3.750 -ATOM 2411 CB LYS 163 15.900 4.370 3.190 -ATOM 2412 2HB LYS 163 16.000 3.620 2.270 -ATOM 2413 3HB LYS 163 14.920 4.000 3.780 -ATOM 2414 CG LYS 163 17.030 4.140 4.180 -ATOM 2415 2HG LYS 163 16.710 4.660 5.200 -ATOM 2416 3HG LYS 163 18.050 4.400 3.620 -ATOM 2417 CD LYS 163 17.060 2.670 4.610 -ATOM 2418 2HD LYS 163 16.420 1.840 4.030 -ATOM 2419 3HD LYS 163 16.460 2.570 5.650 -ATOM 2420 CE LYS 163 18.470 2.180 4.920 -ATOM 2421 2HE LYS 163 18.210 1.200 5.570 -ATOM 2422 3HE LYS 163 19.010 2.700 5.850 -ATOM 2423 NZ LYS 163 19.120 1.490 3.760 -ATOM 2424 2HZ LYS 163 20.020 0.880 4.260 -ATOM 2425 3HZ LYS 163 18.490 0.560 3.340 -ATOM 2426 4HZ LYS 163 19.530 2.270 2.960 -ATOM 2427 C LYS 163 16.930 6.560 2.520 -ATOM 2428 O LYS 163 17.460 7.210 3.430 -ATOM 2429 N LEU 164 17.450 6.520 1.290 -ATOM 2430 H LEU 164 16.790 6.050 0.430 -ATOM 2431 CA LEU 164 18.680 7.250 0.970 -ATOM 2432 HA LEU 164 19.420 7.030 1.880 -ATOM 2433 CB LEU 164 19.220 6.820 -0.390 -ATOM 2434 2HB LEU 164 19.960 7.720 -0.660 -ATOM 2435 3HB LEU 164 18.390 7.040 -1.210 -ATOM 2436 CG LEU 164 19.900 5.450 -0.510 -ATOM 2437 HG LEU 164 19.400 4.700 0.270 -ATOM 2438 CD1 LEU 164 19.760 4.940 -1.930 -ATOM 2439 2HD1 LEU 164 20.270 3.880 -2.110 -ATOM 2440 3HD1 LEU 164 18.630 4.900 -2.270 -ATOM 2441 4HD1 LEU 164 20.350 5.700 -2.630 -ATOM 2442 CD2 LEU 164 21.350 5.540 -0.100 -ATOM 2443 2HD2 LEU 164 21.850 4.460 -0.150 -ATOM 2444 3HD2 LEU 164 21.970 6.230 -0.830 -ATOM 2445 4HD2 LEU 164 21.380 5.890 1.040 -ATOM 2446 C LEU 164 18.470 8.760 1.000 -ATOM 2447 O LEU 164 19.320 9.510 1.510 -ATOM 2448 N VAL 165 17.380 9.250 0.420 -ATOM 2449 H VAL 165 16.340 8.690 0.390 -ATOM 2450 CA VAL 165 17.170 10.690 0.440 -ATOM 2451 HA VAL 165 18.170 11.230 0.090 -ATOM 2452 CB VAL 165 16.070 11.080 -0.560 -ATOM 2453 HB VAL 165 14.950 10.770 -0.290 -ATOM 2454 CG1 VAL 165 15.960 12.600 -0.660 -ATOM 2455 2HG1 VAL 165 14.960 12.900 -1.260 -ATOM 2456 3HG1 VAL 165 15.550 13.050 0.370 -ATOM 2457 4HG1 VAL 165 16.780 13.380 -1.050 -ATOM 2458 CG2 VAL 165 16.380 10.470 -1.900 -ATOM 2459 2HG2 VAL 165 15.400 10.600 -2.570 -ATOM 2460 3HG2 VAL 165 17.300 11.090 -2.320 -ATOM 2461 4HG2 VAL 165 16.650 9.330 -2.130 -ATOM 2462 C VAL 165 16.870 11.160 1.860 -ATOM 2463 O VAL 165 17.290 12.250 2.270 -ATOM 2464 N SER 166 16.150 10.340 2.640 -ATOM 2465 H SER 166 15.040 10.300 2.200 -ATOM 2466 CA SER 166 15.900 10.660 4.040 -ATOM 2467 HA SER 166 15.300 11.680 4.230 -ATOM 2468 CB SER 166 15.030 9.580 4.670 -ATOM 2469 2HB SER 166 14.920 9.870 5.830 -ATOM 2470 3HB SER 166 14.920 8.390 4.770 -ATOM 2471 OG SER 166 13.670 9.810 4.390 -ATOM 2472 HG SER 166 12.520 10.060 4.430 -ATOM 2473 C SER 166 17.200 10.780 4.830 -ATOM 2474 O SER 166 17.480 11.810 5.450 -ATOM 2475 N SER 167 17.980 9.690 4.850 -ATOM 2476 H SER 167 17.280 8.740 5.010 -ATOM 2477 CA SER 167 19.160 9.640 5.690 -ATOM 2478 HA SER 167 18.810 9.720 6.820 -ATOM 2479 CB SER 167 19.840 8.280 5.550 -ATOM 2480 2HB SER 167 20.240 8.070 6.650 -ATOM 2481 3HB SER 167 20.650 7.940 4.760 -ATOM 2482 OG SER 167 18.870 7.280 5.400 -ATOM 2483 HG SER 167 18.190 6.500 5.990 -ATOM 2484 C SER 167 20.140 10.730 5.290 -ATOM 2485 O SER 167 20.740 11.370 6.160 -ATOM 2486 N PHE 168 20.310 10.930 3.990 -ATOM 2487 H PHE 168 19.720 10.180 3.300 -ATOM 2488 CA PHE 168 21.220 11.970 3.540 -ATOM 2489 HA PHE 168 22.330 11.790 3.910 -ATOM 2490 CB PHE 168 21.250 12.020 2.030 -ATOM 2491 2HB PHE 168 20.230 12.160 1.430 -ATOM 2492 3HB PHE 168 21.700 11.000 1.610 -ATOM 2493 CG PHE 168 22.170 13.040 1.530 -ATOM 2494 CD1 PHE 168 21.680 14.260 1.100 -ATOM 2495 HD1 PHE 168 20.550 14.430 0.800 -ATOM 2496 CE1 PHE 168 22.550 15.240 0.670 -ATOM 2497 HE1 PHE 168 22.180 16.330 0.410 -ATOM 2498 CZ PHE 168 23.910 15.010 0.680 -ATOM 2499 HZ PHE 168 24.620 15.910 0.970 -ATOM 2500 CE2 PHE 168 24.390 13.800 1.130 -ATOM 2501 HE2 PHE 168 25.440 13.760 1.700 -ATOM 2502 CD2 PHE 168 23.530 12.820 1.560 -ATOM 2503 HD2 PHE 168 24.160 11.830 1.500 -ATOM 2504 C PHE 168 20.810 13.330 4.110 -ATOM 2505 O PHE 168 21.630 14.040 4.690 -ATOM 2506 N LEU 169 19.530 13.670 4.000 -ATOM 2507 H LEU 169 18.690 12.920 3.660 -ATOM 2508 CA LEU 169 19.070 14.980 4.440 -ATOM 2509 HA LEU 169 19.740 15.950 4.280 -ATOM 2510 CB LEU 169 17.720 15.290 3.790 -ATOM 2511 2HB LEU 169 17.300 16.290 4.310 -ATOM 2512 3HB LEU 169 16.810 14.590 4.140 -ATOM 2513 CG LEU 169 17.760 15.510 2.260 -ATOM 2514 HG LEU 169 17.980 14.560 1.590 -ATOM 2515 CD1 LEU 169 16.420 15.890 1.750 -ATOM 2516 2HD1 LEU 169 16.270 16.060 0.570 -ATOM 2517 3HD1 LEU 169 15.470 15.220 2.040 -ATOM 2518 4HD1 LEU 169 15.990 16.940 2.130 -ATOM 2519 CD2 LEU 169 18.750 16.570 1.880 -ATOM 2520 2HD2 LEU 169 18.650 16.930 0.730 -ATOM 2521 3HD2 LEU 169 18.490 17.620 2.390 -ATOM 2522 4HD2 LEU 169 19.880 16.230 1.980 -ATOM 2523 C LEU 169 18.980 15.110 5.970 -ATOM 2524 O LEU 169 19.070 16.230 6.480 -ATOM 2525 N GLU 170 18.810 14.010 6.710 -ATOM 2526 H GLU 170 18.830 12.870 6.410 -ATOM 2527 CA GLU 170 18.820 14.100 8.170 -ATOM 2528 HA GLU 170 18.180 15.030 8.550 -ATOM 2529 CB GLU 170 18.250 12.830 8.800 -ATOM 2530 2HB GLU 170 18.330 13.060 9.980 -ATOM 2531 3HB GLU 170 18.830 11.780 8.770 -ATOM 2532 CG GLU 170 16.800 12.600 8.560 -ATOM 2533 2HG GLU 170 16.190 12.750 7.550 -ATOM 2534 3HG GLU 170 16.130 13.320 9.250 -ATOM 2535 CD GLU 170 16.340 11.280 9.140 -ATOM 2536 OE1 GLU 170 15.910 10.380 8.360 -ATOM 2537 OE2 GLU 170 16.430 11.140 10.380 -ATOM 2538 C GLU 170 20.220 14.330 8.740 -ATOM 2539 O GLU 170 20.380 15.040 9.730 -ATOM 2540 N MET 171 21.230 13.690 8.140 -ATOM 2541 H MET 171 21.190 13.010 7.190 -ATOM 2542 CA MET 171 22.620 13.840 8.570 -ATOM 2543 HA MET 171 22.700 14.030 9.740 -ATOM 2544 CB MET 171 23.430 12.580 8.240 -ATOM 2545 2HB MET 171 24.450 12.650 8.860 -ATOM 2546 3HB MET 171 23.790 12.770 7.120 -ATOM 2547 CG MET 171 22.870 11.300 8.780 -ATOM 2548 2HG MET 171 21.780 10.860 8.960 -ATOM 2549 3HG MET 171 23.360 10.980 9.820 -ATOM 2550 SD MET 171 23.640 9.880 7.970 -ATOM 2551 CE MET 171 23.830 10.390 6.250 -ATOM 2552 2HE MET 171 24.390 9.330 6.250 -ATOM 2553 3HE MET 171 22.690 10.310 5.950 -ATOM 2554 4HE MET 171 24.830 11.030 6.130 -ATOM 2555 C MET 171 23.320 15.030 7.930 -ATOM 2556 O MET 171 24.420 15.390 8.370 -ATOM 2557 N LYS 172 22.710 15.620 6.890 -ATOM 2558 H LYS 172 21.730 16.050 7.400 -ATOM 2559 CA LYS 172 23.250 16.770 6.180 -ATOM 2560 HA LYS 172 24.320 16.380 5.810 -ATOM 2561 CB LYS 172 22.260 17.240 5.120 -ATOM 2562 2HB LYS 172 21.440 17.890 5.700 -ATOM 2563 3HB LYS 172 21.990 16.250 4.530 -ATOM 2564 CG LYS 172 22.810 18.000 3.940 -ATOM 2565 2HG LYS 172 23.720 17.460 3.390 -ATOM 2566 3HG LYS 172 23.250 19.030 4.350 -ATOM 2567 CD LYS 172 21.650 18.510 3.060 -ATOM 2568 2HD LYS 172 20.680 18.890 3.660 -ATOM 2569 3HD LYS 172 21.420 17.770 2.160 -ATOM 2570 CE LYS 172 21.970 19.810 2.330 -ATOM 2571 2HE LYS 172 22.210 20.760 3.020 -ATOM 2572 3HE LYS 172 21.020 20.260 1.760 -ATOM 2573 NZ LYS 172 23.070 19.610 1.300 -ATOM 2574 2HZ LYS 172 23.350 20.720 0.950 -ATOM 2575 3HZ LYS 172 24.170 19.250 1.580 -ATOM 2576 4HZ LYS 172 22.610 19.180 0.290 -ATOM 2577 C LYS 172 23.560 17.910 7.140 -ATOM 2578 O LYS 172 23.000 18.020 8.240 -ATOM 2579 N SER 173 24.460 18.780 6.700 -ATOM 2580 H SER 173 25.200 18.630 5.780 -ATOM 2581 CA SER 173 24.930 19.900 7.500 -ATOM 2582 HA SER 173 24.210 20.290 8.360 -ATOM 2583 CB SER 173 26.310 19.580 8.050 -ATOM 2584 2HB SER 173 26.140 18.850 8.980 -ATOM 2585 3HB SER 173 26.910 20.520 8.480 -ATOM 2586 OG SER 173 27.140 19.100 7.000 -ATOM 2587 HG SER 173 28.050 19.030 6.250 -ATOM 2588 C SER 173 24.980 21.170 6.660 -ATOM 2589 O SER 173 24.570 21.200 5.490 -ATOM 2590 OXT SER 173 25.420 22.220 7.130 -ATOM 2591 N1 APR 201 18.840 0.100 -11.880 -ATOM 2592 C2 APR 201 19.270 0.900 -10.890 -ATOM 2593 N3 APR 201 19.840 0.580 -9.740 -ATOM 2594 C4 APR 201 19.950 -0.750 -9.630 -ATOM 2595 C5 APR 201 19.530 -1.700 -10.540 -ATOM 2596 C6 APR 201 18.930 -1.230 -11.720 -ATOM 2597 N6 APR 201 18.490 -2.020 -12.700 -ATOM 2598 N7 APR 201 19.820 -2.970 -10.070 -ATOM 2599 C8 APR 201 20.400 -2.780 -8.910 -ATOM 2600 N9 APR 201 20.500 -1.450 -8.590 -ATOM 2601 C1' APR 201 21.100 -0.860 -7.400 -ATOM 2602 C2' APR 201 21.210 -1.810 -6.210 -ATOM 2603 O2' APR 201 20.010 -1.880 -5.470 -ATOM 2604 C3' APR 201 22.320 -1.120 -5.420 -ATOM 2605 O3' APR 201 21.650 -0.090 -4.710 -ATOM 2606 O4' APR 201 22.420 -0.480 -7.710 -ATOM 2607 C4' APR 201 23.260 -0.660 -6.550 -ATOM 2608 C5' APR 201 24.380 -1.600 -6.930 -ATOM 2609 O5' APR 201 23.880 -2.960 -7.010 -ATOM 2610 PA APR 201 24.730 -4.050 -7.830 -ATOM 2611 O1A APR 201 24.510 -3.900 -9.300 -ATOM 2612 O2A APR 201 24.520 -5.400 -7.240 -ATOM 2613 O3A APR 201 26.210 -3.540 -7.520 -ATOM 2614 PB APR 201 27.410 -4.080 -6.610 -ATOM 2615 O1B APR 201 28.620 -3.270 -6.920 -ATOM 2616 O2B APR 201 26.950 -4.190 -5.200 -ATOM 2617 O5D APR 201 27.580 -5.550 -7.210 -ATOM 2618 C5D APR 201 28.660 -5.930 -8.090 -ATOM 2619 O4D APR 201 27.040 -7.420 -9.020 -ATOM 2620 O1D APR 201 25.960 -7.750 -11.030 -ATOM 2621 C1D APR 201 27.040 -8.120 -10.250 -ATOM 2622 O2D APR 201 28.760 -8.480 -12.000 -ATOM 2623 C2D APR 201 28.370 -7.700 -10.890 -ATOM 2624 O3D APR 201 29.550 -9.260 -9.500 -ATOM 2625 C3D APR 201 29.280 -7.880 -9.690 -ATOM 2626 C4D APR 201 28.400 -7.350 -8.550 -ATOM 2627 HR'4 APR 201 28.930 -11.340 -7.680 -ATOM 2628 HR'3 APR 201 30.560 -5.620 -9.390 -ATOM 2629 HR'2 APR 201 26.920 -5.680 -10.970 -ATOM 2630 HR'1 APR 201 26.530 -13.570 -8.590 -ATOM 2631 HOR3 APR 201 30.670 -13.340 -8.060 -ATOM 2632 HOR2 APR 201 28.370 -13.700 -10.940 -ATOM 2633 HOR1 APR 201 27.750 -11.120 -9.850 -ATOM 2634 HO'3 APR 201 21.960 1.340 -3.390 -ATOM 2635 HO'2 APR 201 17.800 -3.970 -2.650 -ATOM 2636 H5R2 APR 201 27.600 -4.620 -9.380 -ATOM 2637 H5R1 APR 201 30.330 -2.880 -8.730 -ATOM 2638 H5'2 APR 201 25.200 -1.300 -8.950 -ATOM 2639 H5'1 APR 201 26.700 -1.520 -6.820 -ATOM 2640 H8 APR 201 19.110 -7.130 -8.020 -ATOM 2641 H62 APR 201 17.350 -6.350 -11.690 -ATOM 2642 H61 APR 201 16.090 -4.840 -14.210 -ATOM 2643 H2 APR 201 18.240 2.620 -10.480 -ATOM 2644 H'4 APR 201 23.520 0.980 -7.420 -ATOM 2645 H'3 APR 201 20.140 -3.570 -3.120 -ATOM 2646 H'2 APR 201 19.930 -5.680 -5.710 -ATOM 2647 H'1 APR 201 20.050 1.010 -6.170 -ATOM 2648 K K 300 29.860 -9.100 -31.820 -ATOM 2649 K K 301 28.060 16.280 17.100 -TER -END diff --git a/data/7cz4/README.md b/data/7cz4/README.md deleted file mode 100644 index fa60a40..0000000 --- a/data/7cz4/README.md +++ /dev/null @@ -1,19 +0,0 @@ -# 7CZ4 - NSP3 macro domain with bound ligand - -The structures stored in this directory relate to the ligand binding use case. -The original structure was obtained from the protein databank ID -[7CZ4](https://www.rcsb.org/structure/7cz4). -The initial structure was incomplete missing some heavy atoms as well -as Hydrogens. This structure was "fixed" with -[Moprobity](http://molprobity.biochem.duke.edu/) and -[PDBFixer](https://github.com/openmm/pdbfixer). -Finally, only the monomer of the protein was kept. The resulting structure -is stored in `7CZ4-folded.pdb`. This name is analogous to the way systems -are named in the `bba` directory. -More details on how this structure was prepared can be found at -. - -The structure in `system/7CZ4-unfolded.pdb` was created by first shifting -the ligand out of the protein, and subsequently running dynamics on it at -310K. Conventional dynamics was not able to have the ligand find its binding -location. diff --git a/data/7cz4/system/7CZ4-unfolded.pdb b/data/7cz4/system/7CZ4-unfolded.pdb deleted file mode 100644 index 98c3765..0000000 --- a/data/7cz4/system/7CZ4-unfolded.pdb +++ /dev/null @@ -1,2651 +0,0 @@ -CRYST1 149.165 149.165 149.165 90.00 90.00 90.00 P 1 1 -ATOM 1 N ASN X 1 27.410 25.750 -22.230 0.00 0.00 -ATOM 2 2H ASN X 1 27.460 26.440 -21.520 0.00 0.00 -ATOM 3 3H ASN X 1 26.980 26.340 -23.010 0.00 0.00 -ATOM 4 4H ASN X 1 28.300 25.420 -22.480 0.00 0.00 -ATOM 5 CA ASN X 1 26.440 24.620 -21.910 0.00 0.00 -ATOM 6 HA ASN X 1 26.460 23.950 -22.770 0.00 0.00 -ATOM 7 CB ASN X 1 27.050 23.700 -20.890 0.00 0.00 -ATOM 8 2HB ASN X 1 27.570 24.290 -20.170 0.00 0.00 -ATOM 9 3HB ASN X 1 27.790 23.070 -21.300 0.00 0.00 -ATOM 10 CG ASN X 1 26.040 22.780 -20.140 0.00 0.00 -ATOM 11 OD1 ASN X 1 25.240 22.210 -20.880 0.00 0.00 -ATOM 12 ND2 ASN X 1 25.940 22.620 -18.830 0.00 0.00 -ATOM 13 2HD2 ASN X 1 25.340 21.920 -18.470 0.00 0.00 -ATOM 14 3HD2 ASN X 1 26.550 23.200 -18.230 0.00 0.00 -ATOM 15 C ASN X 1 25.040 25.050 -21.650 0.00 0.00 -ATOM 16 O ASN X 1 24.730 25.580 -20.590 0.00 0.00 -ATOM 17 N SER X 2 24.150 24.890 -22.700 0.00 0.00 -ATOM 18 H SER X 2 24.570 24.400 -23.550 0.00 0.00 -ATOM 19 CA SER X 2 22.770 25.250 -22.600 0.00 0.00 -ATOM 20 HA SER X 2 22.640 26.090 -21.830 0.00 0.00 -ATOM 21 CB SER X 2 22.360 25.630 -24.060 0.00 0.00 -ATOM 22 2HB SER X 2 21.270 25.830 -24.130 0.00 0.00 -ATOM 23 3HB SER X 2 22.690 24.780 -24.690 0.00 0.00 -ATOM 24 OG SER X 2 23.150 26.730 -24.320 0.00 0.00 -ATOM 25 HG SER X 2 23.980 26.580 -23.880 0.00 0.00 -ATOM 26 C SER X 2 21.880 24.120 -22.130 0.00 0.00 -ATOM 27 O SER X 2 21.190 23.410 -22.860 0.00 0.00 -ATOM 28 N PHE X 3 21.910 23.900 -20.830 0.00 0.00 -ATOM 29 H PHE X 3 22.450 24.470 -20.220 0.00 0.00 -ATOM 30 CA PHE X 3 21.270 22.810 -20.140 0.00 0.00 -ATOM 31 HA PHE X 3 21.330 21.920 -20.880 0.00 0.00 -ATOM 32 CB PHE X 3 22.050 22.510 -18.800 0.00 0.00 -ATOM 33 2HB PHE X 3 21.610 22.940 -17.910 0.00 0.00 -ATOM 34 3HB PHE X 3 23.020 22.930 -18.890 0.00 0.00 -ATOM 35 CG PHE X 3 22.170 20.960 -18.540 0.00 0.00 -ATOM 36 CD1 PHE X 3 21.790 20.410 -17.310 0.00 0.00 -ATOM 37 HD1 PHE X 3 21.370 21.060 -16.530 0.00 0.00 -ATOM 38 CE1 PHE X 3 21.910 19.030 -17.110 0.00 0.00 -ATOM 39 HE1 PHE X 3 21.630 18.520 -16.150 0.00 0.00 -ATOM 40 CZ PHE X 3 22.470 18.270 -18.100 0.00 0.00 -ATOM 41 HZ PHE X 3 22.570 17.230 -17.870 0.00 0.00 -ATOM 42 CE2 PHE X 3 22.780 18.710 -19.340 0.00 0.00 -ATOM 43 HE2 PHE X 3 23.330 18.100 -20.040 0.00 0.00 -ATOM 44 CD2 PHE X 3 22.610 20.080 -19.580 0.00 0.00 -ATOM 45 HD2 PHE X 3 23.020 20.510 -20.500 0.00 0.00 -ATOM 46 C PHE X 3 19.830 23.130 -19.710 0.00 0.00 -ATOM 47 O PHE X 3 19.320 24.260 -19.870 0.00 0.00 -ATOM 48 N SER X 4 19.070 22.270 -19.020 0.00 0.00 -ATOM 49 H SER X 4 19.430 21.390 -18.650 0.00 0.00 -ATOM 50 CA SER X 4 17.620 22.360 -18.720 0.00 0.00 -ATOM 51 HA SER X 4 17.180 22.850 -19.520 0.00 0.00 -ATOM 52 CB SER X 4 17.110 20.890 -18.730 0.00 0.00 -ATOM 53 2HB SER X 4 17.310 20.340 -19.660 0.00 0.00 -ATOM 54 3HB SER X 4 16.100 20.850 -18.340 0.00 0.00 -ATOM 55 OG SER X 4 17.800 20.130 -17.780 0.00 0.00 -ATOM 56 HG SER X 4 17.730 19.200 -17.950 0.00 0.00 -ATOM 57 C SER X 4 17.130 23.090 -17.440 0.00 0.00 -ATOM 58 O SER X 4 16.710 24.240 -17.590 0.00 0.00 -ATOM 59 N GLY X 5 17.180 22.440 -16.240 0.00 0.00 -ATOM 60 H GLY X 5 17.340 21.440 -16.270 0.00 0.00 -ATOM 61 CA GLY X 5 16.730 23.160 -15.040 0.00 0.00 -ATOM 62 2HA GLY X 5 15.640 23.060 -15.090 0.00 0.00 -ATOM 63 3HA GLY X 5 17.000 24.200 -15.120 0.00 0.00 -ATOM 64 C GLY X 5 17.270 22.750 -13.660 0.00 0.00 -ATOM 65 O GLY X 5 16.570 22.760 -12.710 0.00 0.00 -ATOM 66 N TYR X 6 18.550 22.540 -13.550 0.00 0.00 -ATOM 67 H TYR X 6 19.180 22.650 -14.360 0.00 0.00 -ATOM 68 CA TYR X 6 19.100 22.030 -12.370 0.00 0.00 -ATOM 69 HA TYR X 6 18.460 21.250 -11.900 0.00 0.00 -ATOM 70 CB TYR X 6 20.330 21.100 -12.500 0.00 0.00 -ATOM 71 2HB TYR X 6 20.710 20.970 -11.510 0.00 0.00 -ATOM 72 3HB TYR X 6 21.090 21.600 -13.130 0.00 0.00 -ATOM 73 CG TYR X 6 20.010 19.760 -13.140 0.00 0.00 -ATOM 74 CD1 TYR X 6 20.500 18.590 -12.570 0.00 0.00 -ATOM 75 HD1 TYR X 6 20.920 18.530 -11.560 0.00 0.00 -ATOM 76 CE1 TYR X 6 20.180 17.300 -13.070 0.00 0.00 -ATOM 77 HE1 TYR X 6 20.620 16.370 -12.630 0.00 0.00 -ATOM 78 CZ TYR X 6 19.410 17.170 -14.260 0.00 0.00 -ATOM 79 OH TYR X 6 18.920 15.960 -14.520 0.00 0.00 -ATOM 80 HH TYR X 6 18.330 16.010 -15.280 0.00 0.00 -ATOM 81 CE2 TYR X 6 18.770 18.330 -14.740 0.00 0.00 -ATOM 82 HE2 TYR X 6 18.020 18.310 -15.550 0.00 0.00 -ATOM 83 CD2 TYR X 6 19.170 19.610 -14.250 0.00 0.00 -ATOM 84 HD2 TYR X 6 18.720 20.440 -14.670 0.00 0.00 -ATOM 85 C TYR X 6 19.370 23.140 -11.340 0.00 0.00 -ATOM 86 O TYR X 6 20.120 24.100 -11.640 0.00 0.00 -ATOM 87 N LEU X 7 18.970 22.980 -10.120 0.00 0.00 -ATOM 88 H LEU X 7 18.490 22.150 -9.900 0.00 0.00 -ATOM 89 CA LEU X 7 19.260 23.870 -9.010 0.00 0.00 -ATOM 90 HA LEU X 7 19.140 24.890 -9.330 0.00 0.00 -ATOM 91 CB LEU X 7 18.190 23.630 -7.900 0.00 0.00 -ATOM 92 2HB LEU X 7 18.500 24.190 -7.000 0.00 0.00 -ATOM 93 3HB LEU X 7 18.080 22.540 -7.770 0.00 0.00 -ATOM 94 CG LEU X 7 16.750 24.160 -8.280 0.00 0.00 -ATOM 95 HG LEU X 7 16.910 24.860 -9.090 0.00 0.00 -ATOM 96 CD1 LEU X 7 15.850 22.990 -8.790 0.00 0.00 -ATOM 97 2HD1 LEU X 7 15.660 22.300 -7.930 0.00 0.00 -ATOM 98 3HD1 LEU X 7 15.000 23.390 -9.250 0.00 0.00 -ATOM 99 4HD1 LEU X 7 16.300 22.460 -9.550 0.00 0.00 -ATOM 100 CD2 LEU X 7 16.000 24.840 -7.090 0.00 0.00 -ATOM 101 2HD2 LEU X 7 16.590 25.640 -6.620 0.00 0.00 -ATOM 102 3HD2 LEU X 7 15.160 25.300 -7.460 0.00 0.00 -ATOM 103 4HD2 LEU X 7 15.670 24.180 -6.290 0.00 0.00 -ATOM 104 C LEU X 7 20.680 23.580 -8.600 0.00 0.00 -ATOM 105 O LEU X 7 21.280 22.510 -8.660 0.00 0.00 -ATOM 106 N LYS X 8 21.410 24.630 -8.130 0.00 0.00 -ATOM 107 H LYS X 8 21.020 25.510 -8.130 0.00 0.00 -ATOM 108 CA LYS X 8 22.920 24.560 -7.680 0.00 0.00 -ATOM 109 HA LYS X 8 23.380 23.820 -8.340 0.00 0.00 -ATOM 110 CB LYS X 8 23.490 25.940 -8.070 0.00 0.00 -ATOM 111 2HB LYS X 8 23.050 26.660 -7.360 0.00 0.00 -ATOM 112 3HB LYS X 8 23.130 26.230 -9.050 0.00 0.00 -ATOM 113 CG LYS X 8 25.010 26.110 -8.090 0.00 0.00 -ATOM 114 2HG LYS X 8 25.430 25.370 -8.790 0.00 0.00 -ATOM 115 3HG LYS X 8 25.490 25.840 -7.150 0.00 0.00 -ATOM 116 CD LYS X 8 25.420 27.580 -8.440 0.00 0.00 -ATOM 117 2HD LYS X 8 25.100 28.290 -7.700 0.00 0.00 -ATOM 118 3HD LYS X 8 24.880 27.840 -9.310 0.00 0.00 -ATOM 119 CE LYS X 8 26.930 27.740 -8.740 0.00 0.00 -ATOM 120 2HE LYS X 8 27.320 26.950 -9.390 0.00 0.00 -ATOM 121 3HE LYS X 8 27.360 27.600 -7.820 0.00 0.00 -ATOM 122 NZ LYS X 8 27.130 29.090 -9.350 0.00 0.00 -ATOM 123 2HZ LYS X 8 26.660 29.020 -10.220 0.00 0.00 -ATOM 124 3HZ LYS X 8 26.810 29.750 -8.680 0.00 0.00 -ATOM 125 4HZ LYS X 8 28.050 29.250 -9.670 0.00 0.00 -ATOM 126 C LYS X 8 23.200 24.160 -6.260 0.00 0.00 -ATOM 127 O LYS X 8 22.490 24.520 -5.360 0.00 0.00 -ATOM 128 N LEU X 9 24.350 23.520 -6.150 0.00 0.00 -ATOM 129 H LEU X 9 24.800 23.320 -7.020 0.00 0.00 -ATOM 130 CA LEU X 9 25.050 23.030 -4.820 0.00 0.00 -ATOM 131 HA LEU X 9 24.440 23.440 -4.030 0.00 0.00 -ATOM 132 CB LEU X 9 25.010 21.470 -4.800 0.00 0.00 -ATOM 133 2HB LEU X 9 25.690 21.040 -4.040 0.00 0.00 -ATOM 134 3HB LEU X 9 25.360 21.060 -5.760 0.00 0.00 -ATOM 135 CG LEU X 9 23.640 20.740 -4.750 0.00 0.00 -ATOM 136 HG LEU X 9 23.090 21.130 -5.620 0.00 0.00 -ATOM 137 CD1 LEU X 9 23.820 19.210 -4.770 0.00 0.00 -ATOM 138 2HD1 LEU X 9 24.410 18.830 -3.970 0.00 0.00 -ATOM 139 3HD1 LEU X 9 22.810 18.770 -4.810 0.00 0.00 -ATOM 140 4HD1 LEU X 9 24.270 18.910 -5.760 0.00 0.00 -ATOM 141 CD2 LEU X 9 22.820 21.140 -3.590 0.00 0.00 -ATOM 142 2HD2 LEU X 9 23.340 21.190 -2.620 0.00 0.00 -ATOM 143 3HD2 LEU X 9 22.250 22.080 -3.840 0.00 0.00 -ATOM 144 4HD2 LEU X 9 22.070 20.370 -3.550 0.00 0.00 -ATOM 145 C LEU X 9 26.510 23.580 -4.700 0.00 0.00 -ATOM 146 O LEU X 9 26.910 24.150 -3.640 0.00 0.00 -ATOM 147 N THR X 10 27.260 23.620 -5.730 0.00 0.00 -ATOM 148 H THR X 10 26.990 23.020 -6.540 0.00 0.00 -ATOM 149 CA THR X 10 28.550 24.440 -5.810 0.00 0.00 -ATOM 150 HA THR X 10 28.600 25.230 -5.030 0.00 0.00 -ATOM 151 CB THR X 10 29.840 23.730 -5.560 0.00 0.00 -ATOM 152 HB THR X 10 30.660 24.380 -5.590 0.00 0.00 -ATOM 153 CG2 THR X 10 29.940 22.880 -4.240 0.00 0.00 -ATOM 154 2HG2 THR X 10 29.030 22.280 -4.230 0.00 0.00 -ATOM 155 3HG2 THR X 10 30.870 22.300 -4.250 0.00 0.00 -ATOM 156 4HG2 THR X 10 30.030 23.490 -3.360 0.00 0.00 -ATOM 157 OG1 THR X 10 30.080 22.840 -6.510 0.00 0.00 -ATOM 158 HG1 THR X 10 30.930 22.450 -6.260 0.00 0.00 -ATOM 159 C THR X 10 28.670 25.020 -7.210 0.00 0.00 -ATOM 160 O THR X 10 27.740 24.840 -8.060 0.00 0.00 -ATOM 161 N ASP X 11 29.800 25.750 -7.390 0.00 0.00 -ATOM 162 H ASP X 11 30.430 25.840 -6.480 0.00 0.00 -ATOM 163 CA ASP X 11 30.290 26.230 -8.710 0.00 0.00 -ATOM 164 HA ASP X 11 29.770 27.080 -9.070 0.00 0.00 -ATOM 165 CB ASP X 11 31.810 26.530 -8.490 0.00 0.00 -ATOM 166 2HB ASP X 11 32.350 25.610 -8.260 0.00 0.00 -ATOM 167 3HB ASP X 11 31.850 27.200 -7.650 0.00 0.00 -ATOM 168 CG ASP X 11 32.350 27.210 -9.730 0.00 0.00 -ATOM 169 OD1 ASP X 11 32.200 28.410 -9.820 0.00 0.00 -ATOM 170 OD2 ASP X 11 32.940 26.520 -10.620 0.00 0.00 -ATOM 171 C ASP X 11 30.220 25.170 -9.820 0.00 0.00 -ATOM 172 O ASP X 11 30.300 25.580 -10.970 0.00 0.00 -ATOM 173 N ASN X 12 30.240 23.870 -9.500 0.00 0.00 -ATOM 174 H ASN X 12 30.180 23.540 -8.560 0.00 0.00 -ATOM 175 CA ASN X 12 30.130 22.790 -10.460 0.00 0.00 -ATOM 176 HA ASN X 12 29.750 23.240 -11.410 0.00 0.00 -ATOM 177 CB ASN X 12 31.590 22.260 -10.620 0.00 0.00 -ATOM 178 2HB ASN X 12 32.240 23.020 -10.850 0.00 0.00 -ATOM 179 3HB ASN X 12 31.550 21.570 -11.470 0.00 0.00 -ATOM 180 CG ASN X 12 32.110 21.500 -9.450 0.00 0.00 -ATOM 181 OD1 ASN X 12 32.210 22.040 -8.360 0.00 0.00 -ATOM 182 ND2 ASN X 12 32.410 20.280 -9.590 0.00 0.00 -ATOM 183 2HD2 ASN X 12 32.520 19.730 -8.740 0.00 0.00 -ATOM 184 3HD2 ASN X 12 32.320 19.760 -10.410 0.00 0.00 -ATOM 185 C ASN X 12 29.230 21.580 -10.100 0.00 0.00 -ATOM 186 O ASN X 12 29.400 20.490 -10.630 0.00 0.00 -ATOM 187 N VAL X 13 28.460 21.640 -9.060 0.00 0.00 -ATOM 188 H VAL X 13 28.420 22.550 -8.650 0.00 0.00 -ATOM 189 CA VAL X 13 27.510 20.590 -8.750 0.00 0.00 -ATOM 190 HA VAL X 13 27.570 19.790 -9.470 0.00 0.00 -ATOM 191 CB VAL X 13 27.870 19.950 -7.380 0.00 0.00 -ATOM 192 HB VAL X 13 27.620 20.670 -6.540 0.00 0.00 -ATOM 193 CG1 VAL X 13 27.100 18.580 -7.170 0.00 0.00 -ATOM 194 2HG1 VAL X 13 27.320 18.150 -6.160 0.00 0.00 -ATOM 195 3HG1 VAL X 13 25.990 18.610 -7.360 0.00 0.00 -ATOM 196 4HG1 VAL X 13 27.590 17.840 -7.830 0.00 0.00 -ATOM 197 CG2 VAL X 13 29.330 19.570 -7.280 0.00 0.00 -ATOM 198 2HG2 VAL X 13 29.960 20.440 -6.990 0.00 0.00 -ATOM 199 3HG2 VAL X 13 29.420 18.700 -6.580 0.00 0.00 -ATOM 200 4HG2 VAL X 13 29.650 19.240 -8.270 0.00 0.00 -ATOM 201 C VAL X 13 26.140 21.050 -8.730 0.00 0.00 -ATOM 202 O VAL X 13 25.950 22.050 -8.080 0.00 0.00 -ATOM 203 N TYR X 14 25.180 20.490 -9.460 0.00 0.00 -ATOM 204 H TYR X 14 25.390 19.810 -10.130 0.00 0.00 -ATOM 205 CA TYR X 14 23.680 20.920 -9.440 0.00 0.00 -ATOM 206 HA TYR X 14 23.540 21.640 -8.670 0.00 0.00 -ATOM 207 CB TYR X 14 23.470 21.650 -10.800 0.00 0.00 -ATOM 208 2HB TYR X 14 22.390 21.850 -10.980 0.00 0.00 -ATOM 209 3HB TYR X 14 23.700 20.930 -11.550 0.00 0.00 -ATOM 210 CG TYR X 14 24.190 22.960 -11.140 0.00 0.00 -ATOM 211 CD1 TYR X 14 23.470 24.190 -11.030 0.00 0.00 -ATOM 212 HD1 TYR X 14 22.420 24.200 -10.850 0.00 0.00 -ATOM 213 CE1 TYR X 14 24.110 25.340 -11.440 0.00 0.00 -ATOM 214 HE1 TYR X 14 23.710 26.310 -11.560 0.00 0.00 -ATOM 215 CZ TYR X 14 25.440 25.280 -11.780 0.00 0.00 -ATOM 216 OH TYR X 14 26.150 26.400 -12.220 0.00 0.00 -ATOM 217 HH TYR X 14 26.910 26.190 -12.780 0.00 0.00 -ATOM 218 CE2 TYR X 14 26.170 24.080 -11.860 0.00 0.00 -ATOM 219 HE2 TYR X 14 27.100 24.190 -12.370 0.00 0.00 -ATOM 220 CD2 TYR X 14 25.520 22.910 -11.490 0.00 0.00 -ATOM 221 HD2 TYR X 14 25.930 21.930 -11.780 0.00 0.00 -ATOM 222 C TYR X 14 22.750 19.670 -9.180 0.00 0.00 -ATOM 223 O TYR X 14 23.130 18.590 -9.670 0.00 0.00 -ATOM 224 N ILE X 15 21.620 19.900 -8.600 0.00 0.00 -ATOM 225 H ILE X 15 21.350 20.840 -8.300 0.00 0.00 -ATOM 226 CA ILE X 15 20.600 18.850 -8.260 0.00 0.00 -ATOM 227 HA ILE X 15 21.020 17.870 -8.610 0.00 0.00 -ATOM 228 CB ILE X 15 20.520 19.000 -6.680 0.00 0.00 -ATOM 229 HB ILE X 15 21.560 19.030 -6.290 0.00 0.00 -ATOM 230 CG2 ILE X 15 19.920 20.380 -6.250 0.00 0.00 -ATOM 231 2HG2 ILE X 15 18.910 20.440 -6.570 0.00 0.00 -ATOM 232 3HG2 ILE X 15 19.780 20.430 -5.220 0.00 0.00 -ATOM 233 4HG2 ILE X 15 20.490 21.200 -6.730 0.00 0.00 -ATOM 234 CG1 ILE X 15 19.830 17.910 -5.960 0.00 0.00 -ATOM 235 2HG1 ILE X 15 20.340 17.100 -6.450 0.00 0.00 -ATOM 236 3HG1 ILE X 15 18.800 17.790 -6.140 0.00 0.00 -ATOM 237 CD ILE X 15 20.180 17.770 -4.460 0.00 0.00 -ATOM 238 2HD ILE X 15 19.440 17.050 -3.990 0.00 0.00 -ATOM 239 3HD ILE X 15 21.230 17.420 -4.320 0.00 0.00 -ATOM 240 4HD ILE X 15 20.110 18.730 -3.920 0.00 0.00 -ATOM 241 C ILE X 15 19.270 19.110 -9.080 0.00 0.00 -ATOM 242 O ILE X 15 18.940 20.280 -9.430 0.00 0.00 -ATOM 243 N LYS X 16 18.520 18.000 -9.290 0.00 0.00 -ATOM 244 H LYS X 16 18.940 17.060 -9.160 0.00 0.00 -ATOM 245 CA LYS X 16 17.070 17.940 -9.550 0.00 0.00 -ATOM 246 HA LYS X 16 16.520 18.830 -9.140 0.00 0.00 -ATOM 247 CB LYS X 16 17.010 17.930 -11.050 0.00 0.00 -ATOM 248 2HB LYS X 16 17.530 16.950 -11.340 0.00 0.00 -ATOM 249 3HB LYS X 16 17.550 18.810 -11.370 0.00 0.00 -ATOM 250 CG LYS X 16 15.520 17.940 -11.520 0.00 0.00 -ATOM 251 2HG LYS X 16 14.960 18.770 -11.020 0.00 0.00 -ATOM 252 3HG LYS X 16 15.090 16.970 -11.220 0.00 0.00 -ATOM 253 CD LYS X 16 15.250 18.280 -13.030 0.00 0.00 -ATOM 254 2HD LYS X 16 15.740 17.520 -13.660 0.00 0.00 -ATOM 255 3HD LYS X 16 15.540 19.320 -13.290 0.00 0.00 -ATOM 256 CE LYS X 16 13.740 18.160 -13.260 0.00 0.00 -ATOM 257 2HE LYS X 16 13.270 18.870 -12.550 0.00 0.00 -ATOM 258 3HE LYS X 16 13.450 17.160 -13.140 0.00 0.00 -ATOM 259 NZ LYS X 16 13.380 18.500 -14.620 0.00 0.00 -ATOM 260 2HZ LYS X 16 14.030 18.090 -15.320 0.00 0.00 -ATOM 261 3HZ LYS X 16 12.420 18.230 -14.840 0.00 0.00 -ATOM 262 4HZ LYS X 16 13.450 19.500 -14.810 0.00 0.00 -ATOM 263 C LYS X 16 16.480 16.750 -8.820 0.00 0.00 -ATOM 264 O LYS X 16 17.110 15.690 -8.670 0.00 0.00 -ATOM 265 N ASN X 17 15.110 16.770 -8.600 0.00 0.00 -ATOM 266 H ASN X 17 14.610 17.600 -8.840 0.00 0.00 -ATOM 267 CA ASN X 17 14.470 15.750 -7.890 0.00 0.00 -ATOM 268 HA ASN X 17 15.080 15.070 -7.480 0.00 0.00 -ATOM 269 CB ASN X 17 13.820 16.320 -6.640 0.00 0.00 -ATOM 270 2HB ASN X 17 13.120 17.070 -6.990 0.00 0.00 -ATOM 271 3HB ASN X 17 14.540 16.730 -6.040 0.00 0.00 -ATOM 272 CG ASN X 17 13.080 15.440 -5.550 0.00 0.00 -ATOM 273 OD1 ASN X 17 12.000 15.830 -5.030 0.00 0.00 -ATOM 274 ND2 ASN X 17 13.490 14.240 -5.200 0.00 0.00 -ATOM 275 2HD2 ASN X 17 12.910 13.640 -4.550 0.00 0.00 -ATOM 276 3HD2 ASN X 17 14.270 13.780 -5.650 0.00 0.00 -ATOM 277 C ASN X 17 13.520 14.860 -8.760 0.00 0.00 -ATOM 278 O ASN X 17 12.350 14.610 -8.460 0.00 0.00 -ATOM 279 N ALA X 18 14.000 14.580 -9.910 0.00 0.00 -ATOM 280 H ALA X 18 14.830 14.990 -10.310 0.00 0.00 -ATOM 281 CA ALA X 18 13.340 13.950 -11.030 0.00 0.00 -ATOM 282 HA ALA X 18 12.430 13.500 -10.730 0.00 0.00 -ATOM 283 CB ALA X 18 13.190 15.100 -12.120 0.00 0.00 -ATOM 284 2HB ALA X 18 14.130 15.400 -12.580 0.00 0.00 -ATOM 285 3HB ALA X 18 12.610 14.700 -12.900 0.00 0.00 -ATOM 286 4HB ALA X 18 12.680 15.910 -11.530 0.00 0.00 -ATOM 287 C ALA X 18 14.150 12.760 -11.580 0.00 0.00 -ATOM 288 O ALA X 18 15.310 12.620 -11.290 0.00 0.00 -ATOM 289 N ASP X 19 13.480 12.000 -12.490 0.00 0.00 -ATOM 290 H ASP X 19 12.510 12.180 -12.660 0.00 0.00 -ATOM 291 CA ASP X 19 14.080 10.840 -13.170 0.00 0.00 -ATOM 292 HA ASP X 19 14.520 10.150 -12.460 0.00 0.00 -ATOM 293 CB ASP X 19 13.080 9.940 -13.890 0.00 0.00 -ATOM 294 2HB ASP X 19 12.220 9.810 -13.250 0.00 0.00 -ATOM 295 3HB ASP X 19 13.530 8.920 -14.050 0.00 0.00 -ATOM 296 CG ASP X 19 12.590 10.470 -15.190 0.00 0.00 -ATOM 297 OD1 ASP X 19 12.250 11.680 -15.310 0.00 0.00 -ATOM 298 OD2 ASP X 19 12.520 9.780 -16.190 0.00 0.00 -ATOM 299 C ASP X 19 15.360 11.180 -14.140 0.00 0.00 -ATOM 300 O ASP X 19 15.140 11.790 -15.210 0.00 0.00 -ATOM 301 N ILE X 20 16.630 10.670 -13.940 0.00 0.00 -ATOM 302 H ILE X 20 16.690 9.990 -13.110 0.00 0.00 -ATOM 303 CA ILE X 20 17.880 11.030 -14.620 0.00 0.00 -ATOM 304 HA ILE X 20 17.990 12.140 -14.530 0.00 0.00 -ATOM 305 CB ILE X 20 19.060 10.340 -13.960 0.00 0.00 -ATOM 306 HB ILE X 20 19.130 10.590 -12.890 0.00 0.00 -ATOM 307 CG2 ILE X 20 18.940 8.850 -14.060 0.00 0.00 -ATOM 308 2HG2 ILE X 20 17.960 8.670 -13.740 0.00 0.00 -ATOM 309 3HG2 ILE X 20 19.060 8.580 -15.140 0.00 0.00 -ATOM 310 4HG2 ILE X 20 19.570 8.300 -13.350 0.00 0.00 -ATOM 311 CG1 ILE X 20 20.410 10.840 -14.490 0.00 0.00 -ATOM 312 2HG1 ILE X 20 20.550 11.830 -14.190 0.00 0.00 -ATOM 313 3HG1 ILE X 20 20.500 10.740 -15.520 0.00 0.00 -ATOM 314 CD ILE X 20 21.540 10.010 -13.770 0.00 0.00 -ATOM 315 2HD ILE X 20 21.420 9.870 -12.730 0.00 0.00 -ATOM 316 3HD ILE X 20 21.570 9.080 -14.280 0.00 0.00 -ATOM 317 4HD ILE X 20 22.460 10.550 -13.830 0.00 0.00 -ATOM 318 C ILE X 20 17.860 10.710 -16.180 0.00 0.00 -ATOM 319 O ILE X 20 18.410 11.470 -16.890 0.00 0.00 -ATOM 320 N VAL X 21 17.160 9.680 -16.750 0.00 0.00 -ATOM 321 H VAL X 21 16.740 8.960 -16.160 0.00 0.00 -ATOM 322 CA VAL X 21 17.240 9.360 -18.260 0.00 0.00 -ATOM 323 HA VAL X 21 18.300 9.260 -18.520 0.00 0.00 -ATOM 324 CB VAL X 21 16.440 8.020 -18.540 0.00 0.00 -ATOM 325 HB VAL X 21 15.360 8.200 -18.430 0.00 0.00 -ATOM 326 CG1 VAL X 21 16.790 7.420 -19.930 0.00 0.00 -ATOM 327 2HG1 VAL X 21 16.460 8.070 -20.740 0.00 0.00 -ATOM 328 3HG1 VAL X 21 17.830 7.120 -19.980 0.00 0.00 -ATOM 329 4HG1 VAL X 21 16.240 6.520 -20.130 0.00 0.00 -ATOM 330 CG2 VAL X 21 16.810 7.050 -17.400 0.00 0.00 -ATOM 331 2HG2 VAL X 21 16.380 7.300 -16.460 0.00 0.00 -ATOM 332 3HG2 VAL X 21 16.360 6.070 -17.610 0.00 0.00 -ATOM 333 4HG2 VAL X 21 17.950 7.040 -17.360 0.00 0.00 -ATOM 334 C VAL X 21 16.700 10.560 -19.110 0.00 0.00 -ATOM 335 O VAL X 21 16.930 10.700 -20.330 0.00 0.00 -ATOM 336 N GLU X 22 15.890 11.420 -18.520 0.00 0.00 -ATOM 337 H GLU X 22 15.740 11.370 -17.510 0.00 0.00 -ATOM 338 CA GLU X 22 15.140 12.290 -19.410 0.00 0.00 -ATOM 339 HA GLU X 22 14.870 11.670 -20.260 0.00 0.00 -ATOM 340 CB GLU X 22 13.760 12.730 -18.780 0.00 0.00 -ATOM 341 2HB GLU X 22 13.860 13.710 -18.360 0.00 0.00 -ATOM 342 3HB GLU X 22 13.700 12.150 -17.830 0.00 0.00 -ATOM 343 CG GLU X 22 12.540 12.390 -19.700 0.00 0.00 -ATOM 344 2HG GLU X 22 12.240 11.300 -19.700 0.00 0.00 -ATOM 345 3HG GLU X 22 12.770 12.590 -20.740 0.00 0.00 -ATOM 346 CD GLU X 22 11.210 13.140 -19.260 0.00 0.00 -ATOM 347 OE1 GLU X 22 10.410 12.620 -18.430 0.00 0.00 -ATOM 348 OE2 GLU X 22 10.820 14.200 -19.720 0.00 0.00 -ATOM 349 C GLU X 22 15.900 13.540 -19.940 0.00 0.00 -ATOM 350 O GLU X 22 15.430 14.060 -21.000 0.00 0.00 -ATOM 351 N GLU X 23 17.140 13.860 -19.460 0.00 0.00 -ATOM 352 H GLU X 23 17.420 13.280 -18.670 0.00 0.00 -ATOM 353 CA GLU X 23 17.950 14.810 -20.140 0.00 0.00 -ATOM 354 HA GLU X 23 17.500 15.820 -20.180 0.00 0.00 -ATOM 355 CB GLU X 23 19.180 14.960 -19.320 0.00 0.00 -ATOM 356 2HB GLU X 23 20.170 14.890 -19.880 0.00 0.00 -ATOM 357 3HB GLU X 23 19.100 14.330 -18.380 0.00 0.00 -ATOM 358 CG GLU X 23 19.200 16.310 -18.640 0.00 0.00 -ATOM 359 2HG GLU X 23 19.360 17.140 -19.340 0.00 0.00 -ATOM 360 3HG GLU X 23 20.070 16.150 -18.000 0.00 0.00 -ATOM 361 CD GLU X 23 17.980 16.640 -17.750 0.00 0.00 -ATOM 362 OE1 GLU X 23 17.690 15.860 -16.830 0.00 0.00 -ATOM 363 OE2 GLU X 23 17.220 17.580 -18.070 0.00 0.00 -ATOM 364 C GLU X 23 18.380 14.520 -21.560 0.00 0.00 -ATOM 365 O GLU X 23 18.650 15.410 -22.370 0.00 0.00 -ATOM 366 N ALA X 24 18.360 13.290 -22.030 0.00 0.00 -ATOM 367 H ALA X 24 18.210 12.610 -21.380 0.00 0.00 -ATOM 368 CA ALA X 24 18.320 12.760 -23.390 0.00 0.00 -ATOM 369 HA ALA X 24 19.150 13.110 -23.890 0.00 0.00 -ATOM 370 CB ALA X 24 18.800 11.270 -23.180 0.00 0.00 -ATOM 371 2HB ALA X 24 18.900 10.760 -24.150 0.00 0.00 -ATOM 372 3HB ALA X 24 19.700 11.270 -22.610 0.00 0.00 -ATOM 373 4HB ALA X 24 18.040 10.660 -22.580 0.00 0.00 -ATOM 374 C ALA X 24 17.020 13.030 -24.250 0.00 0.00 -ATOM 375 O ALA X 24 17.080 12.500 -25.370 0.00 0.00 -ATOM 376 N LYS X 25 15.980 13.750 -23.850 0.00 0.00 -ATOM 377 H LYS X 25 15.860 13.890 -22.800 0.00 0.00 -ATOM 378 CA LYS X 25 15.030 14.370 -24.770 0.00 0.00 -ATOM 379 HA LYS X 25 14.900 13.750 -25.620 0.00 0.00 -ATOM 380 CB LYS X 25 13.720 14.450 -23.990 0.00 0.00 -ATOM 381 2HB LYS X 25 13.730 15.120 -23.120 0.00 0.00 -ATOM 382 3HB LYS X 25 13.370 13.410 -23.790 0.00 0.00 -ATOM 383 CG LYS X 25 12.750 15.020 -24.990 0.00 0.00 -ATOM 384 2HG LYS X 25 12.690 14.190 -25.770 0.00 0.00 -ATOM 385 3HG LYS X 25 13.090 15.920 -25.420 0.00 0.00 -ATOM 386 CD LYS X 25 11.430 15.120 -24.330 0.00 0.00 -ATOM 387 2HD LYS X 25 11.530 14.660 -23.280 0.00 0.00 -ATOM 388 3HD LYS X 25 10.790 14.570 -24.880 0.00 0.00 -ATOM 389 CE LYS X 25 10.820 16.570 -24.270 0.00 0.00 -ATOM 390 2HE LYS X 25 9.950 16.790 -24.930 0.00 0.00 -ATOM 391 3HE LYS X 25 11.520 17.290 -24.680 0.00 0.00 -ATOM 392 NZ LYS X 25 10.530 16.880 -22.810 0.00 0.00 -ATOM 393 2HZ LYS X 25 11.210 16.590 -22.200 0.00 0.00 -ATOM 394 3HZ LYS X 25 10.240 17.850 -22.710 0.00 0.00 -ATOM 395 4HZ LYS X 25 9.700 16.370 -22.540 0.00 0.00 -ATOM 396 C LYS X 25 15.460 15.700 -25.290 0.00 0.00 -ATOM 397 O LYS X 25 15.290 15.990 -26.490 0.00 0.00 -ATOM 398 N LYS X 26 16.150 16.450 -24.520 0.00 0.00 -ATOM 399 H LYS X 26 16.320 16.140 -23.570 0.00 0.00 -ATOM 400 CA LYS X 26 16.310 17.870 -24.780 0.00 0.00 -ATOM 401 HA LYS X 26 15.830 18.000 -25.640 0.00 0.00 -ATOM 402 CB LYS X 26 15.690 18.790 -23.680 0.00 0.00 -ATOM 403 2HB LYS X 26 15.940 19.780 -23.930 0.00 0.00 -ATOM 404 3HB LYS X 26 16.160 18.560 -22.710 0.00 0.00 -ATOM 405 CG LYS X 26 14.200 18.720 -23.400 0.00 0.00 -ATOM 406 2HG LYS X 26 13.910 17.740 -23.030 0.00 0.00 -ATOM 407 3HG LYS X 26 13.660 18.920 -24.310 0.00 0.00 -ATOM 408 CD LYS X 26 13.730 19.860 -22.400 0.00 0.00 -ATOM 409 2HD LYS X 26 13.920 20.760 -22.910 0.00 0.00 -ATOM 410 3HD LYS X 26 14.390 19.840 -21.500 0.00 0.00 -ATOM 411 CE LYS X 26 12.260 19.740 -22.220 0.00 0.00 -ATOM 412 2HE LYS X 26 11.710 19.120 -22.910 0.00 0.00 -ATOM 413 3HE LYS X 26 11.730 20.780 -22.260 0.00 0.00 -ATOM 414 NZ LYS X 26 11.900 19.160 -20.980 0.00 0.00 -ATOM 415 2HZ LYS X 26 10.890 19.050 -20.950 0.00 0.00 -ATOM 416 3HZ LYS X 26 12.210 18.210 -20.840 0.00 0.00 -ATOM 417 4HZ LYS X 26 12.100 19.750 -20.180 0.00 0.00 -ATOM 418 C LYS X 26 17.660 18.390 -25.040 0.00 0.00 -ATOM 419 O LYS X 26 17.770 19.290 -25.840 0.00 0.00 -ATOM 420 N VAL X 27 18.630 17.950 -24.250 0.00 0.00 -ATOM 421 H VAL X 27 18.390 17.230 -23.600 0.00 0.00 -ATOM 422 CA VAL X 27 20.010 18.530 -24.260 0.00 0.00 -ATOM 423 HA VAL X 27 19.960 19.330 -25.040 0.00 0.00 -ATOM 424 CB VAL X 27 20.230 19.340 -22.960 0.00 0.00 -ATOM 425 HB VAL X 27 21.100 19.960 -23.140 0.00 0.00 -ATOM 426 CG1 VAL X 27 19.080 20.430 -22.740 0.00 0.00 -ATOM 427 2HG1 VAL X 27 19.430 21.270 -22.150 0.00 0.00 -ATOM 428 3HG1 VAL X 27 18.840 20.800 -23.820 0.00 0.00 -ATOM 429 4HG1 VAL X 27 18.230 19.990 -22.380 0.00 0.00 -ATOM 430 CG2 VAL X 27 20.480 18.400 -21.770 0.00 0.00 -ATOM 431 2HG2 VAL X 27 20.530 18.910 -20.840 0.00 0.00 -ATOM 432 3HG2 VAL X 27 19.720 17.580 -21.790 0.00 0.00 -ATOM 433 4HG2 VAL X 27 21.430 17.930 -22.080 0.00 0.00 -ATOM 434 C VAL X 27 21.220 17.570 -24.670 0.00 0.00 -ATOM 435 O VAL X 27 22.300 18.160 -24.610 0.00 0.00 -ATOM 436 N LYS X 28 21.010 16.290 -24.940 0.00 0.00 -ATOM 437 H LYS X 28 20.030 16.020 -25.130 0.00 0.00 -ATOM 438 CA LYS X 28 21.940 15.170 -24.710 0.00 0.00 -ATOM 439 HA LYS X 28 21.500 14.460 -24.040 0.00 0.00 -ATOM 440 CB LYS X 28 21.940 14.310 -26.030 0.00 0.00 -ATOM 441 2HB LYS X 28 22.950 13.800 -26.010 0.00 0.00 -ATOM 442 3HB LYS X 28 22.050 14.940 -26.960 0.00 0.00 -ATOM 443 CG LYS X 28 20.670 13.420 -26.170 0.00 0.00 -ATOM 444 2HG LYS X 28 19.760 14.030 -25.810 0.00 0.00 -ATOM 445 3HG LYS X 28 20.740 12.500 -25.550 0.00 0.00 -ATOM 446 CD LYS X 28 20.190 12.980 -27.550 0.00 0.00 -ATOM 447 2HD LYS X 28 20.960 12.470 -28.010 0.00 0.00 -ATOM 448 3HD LYS X 28 19.870 13.910 -28.150 0.00 0.00 -ATOM 449 CE LYS X 28 18.930 12.090 -27.510 0.00 0.00 -ATOM 450 2HE LYS X 28 18.030 12.650 -27.310 0.00 0.00 -ATOM 451 3HE LYS X 28 19.160 11.390 -26.740 0.00 0.00 -ATOM 452 NZ LYS X 28 18.900 11.200 -28.680 0.00 0.00 -ATOM 453 2HZ LYS X 28 18.350 10.390 -28.510 0.00 0.00 -ATOM 454 3HZ LYS X 28 18.390 11.760 -29.360 0.00 0.00 -ATOM 455 4HZ LYS X 28 19.760 11.010 -29.130 0.00 0.00 -ATOM 456 C LYS X 28 23.410 15.450 -24.260 0.00 0.00 -ATOM 457 O LYS X 28 24.140 15.830 -25.170 0.00 0.00 -ATOM 458 N PRO X 29 23.850 15.270 -23.000 0.00 0.00 -ATOM 459 CA PRO X 29 25.170 15.630 -22.390 0.00 0.00 -ATOM 460 HA PRO X 29 25.170 16.630 -22.020 0.00 0.00 -ATOM 461 CB PRO X 29 25.150 14.740 -21.110 0.00 0.00 -ATOM 462 2HB PRO X 29 25.770 15.100 -20.330 0.00 0.00 -ATOM 463 3HB PRO X 29 25.570 13.780 -21.460 0.00 0.00 -ATOM 464 CG PRO X 29 23.760 14.460 -20.680 0.00 0.00 -ATOM 465 2HG PRO X 29 23.500 15.230 -19.940 0.00 0.00 -ATOM 466 3HG PRO X 29 23.700 13.530 -20.220 0.00 0.00 -ATOM 467 CD PRO X 29 23.040 14.550 -22.010 0.00 0.00 -ATOM 468 2HD PRO X 29 22.070 15.040 -21.960 0.00 0.00 -ATOM 469 3HD PRO X 29 22.770 13.540 -22.410 0.00 0.00 -ATOM 470 C PRO X 29 26.470 15.330 -23.140 0.00 0.00 -ATOM 471 O PRO X 29 26.500 14.700 -24.190 0.00 0.00 -ATOM 472 N THR X 30 27.590 15.880 -22.570 0.00 0.00 -ATOM 473 H THR X 30 27.640 16.420 -21.720 0.00 0.00 -ATOM 474 CA THR X 30 28.930 15.530 -23.190 0.00 0.00 -ATOM 475 HA THR X 30 28.850 15.500 -24.230 0.00 0.00 -ATOM 476 CB THR X 30 30.190 16.400 -22.890 0.00 0.00 -ATOM 477 HB THR X 30 31.000 15.760 -23.070 0.00 0.00 -ATOM 478 CG2 THR X 30 30.420 17.660 -23.750 0.00 0.00 -ATOM 479 2HG2 THR X 30 31.340 18.140 -23.360 0.00 0.00 -ATOM 480 3HG2 THR X 30 30.510 17.430 -24.840 0.00 0.00 -ATOM 481 4HG2 THR X 30 29.570 18.350 -23.520 0.00 0.00 -ATOM 482 OG1 THR X 30 30.300 16.790 -21.520 0.00 0.00 -ATOM 483 HG1 THR X 30 29.530 16.530 -21.000 0.00 0.00 -ATOM 484 C THR X 30 29.300 14.050 -22.860 0.00 0.00 -ATOM 485 O THR X 30 29.660 13.310 -23.760 0.00 0.00 -ATOM 486 N VAL X 31 29.030 13.610 -21.630 0.00 0.00 -ATOM 487 H VAL X 31 28.800 14.320 -20.910 0.00 0.00 -ATOM 488 CA VAL X 31 28.950 12.230 -21.140 0.00 0.00 -ATOM 489 HA VAL X 31 28.710 11.710 -21.970 0.00 0.00 -ATOM 490 CB VAL X 31 30.310 11.760 -20.490 0.00 0.00 -ATOM 491 HB VAL X 31 30.530 12.470 -19.750 0.00 0.00 -ATOM 492 CG1 VAL X 31 30.320 10.350 -19.850 0.00 0.00 -ATOM 493 2HG1 VAL X 31 31.390 10.190 -19.640 0.00 0.00 -ATOM 494 3HG1 VAL X 31 29.810 10.260 -18.900 0.00 0.00 -ATOM 495 4HG1 VAL X 31 29.990 9.550 -20.600 0.00 0.00 -ATOM 496 CG2 VAL X 31 31.410 11.840 -21.520 0.00 0.00 -ATOM 497 2HG2 VAL X 31 31.230 11.240 -22.420 0.00 0.00 -ATOM 498 3HG2 VAL X 31 31.590 12.850 -21.800 0.00 0.00 -ATOM 499 4HG2 VAL X 31 32.340 11.500 -21.120 0.00 0.00 -ATOM 500 C VAL X 31 27.800 12.070 -20.120 0.00 0.00 -ATOM 501 O VAL X 31 27.270 12.970 -19.500 0.00 0.00 -ATOM 502 N VAL X 32 27.340 10.820 -20.010 0.00 0.00 -ATOM 503 H VAL X 32 28.020 10.160 -20.440 0.00 0.00 -ATOM 504 CA VAL X 32 26.410 10.340 -18.990 0.00 0.00 -ATOM 505 HA VAL X 32 26.310 10.980 -18.180 0.00 0.00 -ATOM 506 CB VAL X 32 25.050 10.060 -19.480 0.00 0.00 -ATOM 507 HB VAL X 32 24.540 11.030 -19.690 0.00 0.00 -ATOM 508 CG1 VAL X 32 24.940 9.200 -20.740 0.00 0.00 -ATOM 509 2HG1 VAL X 32 25.460 9.710 -21.520 0.00 0.00 -ATOM 510 3HG1 VAL X 32 25.430 8.270 -20.520 0.00 0.00 -ATOM 511 4HG1 VAL X 32 23.850 8.970 -20.870 0.00 0.00 -ATOM 512 CG2 VAL X 32 24.070 9.430 -18.470 0.00 0.00 -ATOM 513 2HG2 VAL X 32 24.360 9.720 -17.440 0.00 0.00 -ATOM 514 3HG2 VAL X 32 23.000 9.600 -18.730 0.00 0.00 -ATOM 515 4HG2 VAL X 32 24.220 8.350 -18.400 0.00 0.00 -ATOM 516 C VAL X 32 27.140 9.160 -18.350 0.00 0.00 -ATOM 517 O VAL X 32 27.890 8.570 -19.020 0.00 0.00 -ATOM 518 N VAL X 33 26.840 8.820 -17.080 0.00 0.00 -ATOM 519 H VAL X 33 26.500 9.530 -16.480 0.00 0.00 -ATOM 520 CA VAL X 33 27.660 7.720 -16.350 0.00 0.00 -ATOM 521 HA VAL X 33 28.350 7.220 -16.970 0.00 0.00 -ATOM 522 CB VAL X 33 28.510 8.330 -15.230 0.00 0.00 -ATOM 523 HB VAL X 33 27.930 8.800 -14.420 0.00 0.00 -ATOM 524 CG1 VAL X 33 29.420 7.310 -14.660 0.00 0.00 -ATOM 525 2HG1 VAL X 33 30.090 6.950 -15.400 0.00 0.00 -ATOM 526 3HG1 VAL X 33 29.970 7.630 -13.730 0.00 0.00 -ATOM 527 4HG1 VAL X 33 28.830 6.490 -14.350 0.00 0.00 -ATOM 528 CG2 VAL X 33 29.560 9.360 -15.640 0.00 0.00 -ATOM 529 2HG2 VAL X 33 30.290 9.370 -14.830 0.00 0.00 -ATOM 530 3HG2 VAL X 33 29.890 9.090 -16.680 0.00 0.00 -ATOM 531 4HG2 VAL X 33 29.130 10.370 -15.650 0.00 0.00 -ATOM 532 C VAL X 33 26.780 6.520 -15.890 0.00 0.00 -ATOM 533 O VAL X 33 26.280 6.510 -14.800 0.00 0.00 -ATOM 534 N ASN X 34 26.670 5.440 -16.720 0.00 0.00 -ATOM 535 H ASN X 34 27.260 5.480 -17.570 0.00 0.00 -ATOM 536 CA ASN X 34 25.930 4.230 -16.430 0.00 0.00 -ATOM 537 HA ASN X 34 24.920 4.440 -16.190 0.00 0.00 -ATOM 538 CB ASN X 34 25.820 3.430 -17.710 0.00 0.00 -ATOM 539 2HB ASN X 34 26.800 3.380 -18.190 0.00 0.00 -ATOM 540 3HB ASN X 34 25.180 3.940 -18.440 0.00 0.00 -ATOM 541 CG ASN X 34 25.070 2.160 -17.510 0.00 0.00 -ATOM 542 OD1 ASN X 34 24.110 2.200 -16.710 0.00 0.00 -ATOM 543 ND2 ASN X 34 25.660 1.000 -17.820 0.00 0.00 -ATOM 544 2HD2 ASN X 34 25.060 0.200 -17.840 0.00 0.00 -ATOM 545 3HD2 ASN X 34 26.480 1.170 -18.350 0.00 0.00 -ATOM 546 C ASN X 34 26.610 3.470 -15.270 0.00 0.00 -ATOM 547 O ASN X 34 27.830 3.500 -15.240 0.00 0.00 -ATOM 548 N ALA X 35 25.800 2.760 -14.520 0.00 0.00 -ATOM 549 H ALA X 35 24.810 2.610 -14.750 0.00 0.00 -ATOM 550 CA ALA X 35 26.240 2.070 -13.450 0.00 0.00 -ATOM 551 HA ALA X 35 27.270 1.770 -13.640 0.00 0.00 -ATOM 552 CB ALA X 35 26.100 2.980 -12.250 0.00 0.00 -ATOM 553 2HB ALA X 35 25.110 3.440 -12.320 0.00 0.00 -ATOM 554 3HB ALA X 35 26.310 2.350 -11.340 0.00 0.00 -ATOM 555 4HB ALA X 35 26.700 3.870 -12.390 0.00 0.00 -ATOM 556 C ALA X 35 25.350 0.830 -13.300 0.00 0.00 -ATOM 557 O ALA X 35 24.190 0.980 -13.040 0.00 0.00 -ATOM 558 N ALA X 36 25.920 -0.400 -13.460 0.00 0.00 -ATOM 559 H ALA X 36 26.850 -0.450 -13.630 0.00 0.00 -ATOM 560 CA ALA X 36 25.210 -1.630 -13.800 0.00 0.00 -ATOM 561 HA ALA X 36 24.160 -1.520 -13.550 0.00 0.00 -ATOM 562 CB ALA X 36 25.270 -1.870 -15.380 0.00 0.00 -ATOM 563 2HB ALA X 36 26.260 -2.170 -15.650 0.00 0.00 -ATOM 564 3HB ALA X 36 24.540 -2.490 -15.840 0.00 0.00 -ATOM 565 4HB ALA X 36 25.090 -0.930 -15.890 0.00 0.00 -ATOM 566 C ALA X 36 25.760 -2.830 -13.010 0.00 0.00 -ATOM 567 O ALA X 36 26.760 -2.770 -12.400 0.00 0.00 -ATOM 568 N ASN X 37 25.070 -3.970 -13.150 0.00 0.00 -ATOM 569 H ASN X 37 24.330 -4.060 -13.860 0.00 0.00 -ATOM 570 CA ASN X 37 25.590 -5.220 -12.580 0.00 0.00 -ATOM 571 HA ASN X 37 25.700 -5.140 -11.500 0.00 0.00 -ATOM 572 CB ASN X 37 24.500 -6.220 -13.080 0.00 0.00 -ATOM 573 2HB ASN X 37 24.160 -6.020 -14.080 0.00 0.00 -ATOM 574 3HB ASN X 37 23.620 -6.170 -12.450 0.00 0.00 -ATOM 575 CG ASN X 37 24.950 -7.680 -13.060 0.00 0.00 -ATOM 576 OD1 ASN X 37 25.800 -8.050 -13.870 0.00 0.00 -ATOM 577 ND2 ASN X 37 24.500 -8.530 -12.150 0.00 0.00 -ATOM 578 2HD2 ASN X 37 24.810 -9.460 -12.230 0.00 0.00 -ATOM 579 3HD2 ASN X 37 23.680 -8.460 -11.610 0.00 0.00 -ATOM 580 C ASN X 37 27.000 -5.500 -13.300 0.00 0.00 -ATOM 581 O ASN X 37 27.430 -4.830 -14.240 0.00 0.00 -ATOM 582 N VAL X 38 27.710 -6.420 -12.640 0.00 0.00 -ATOM 583 H VAL X 38 27.200 -6.950 -11.950 0.00 0.00 -ATOM 584 CA VAL X 38 29.140 -6.710 -12.860 0.00 0.00 -ATOM 585 HA VAL X 38 29.690 -5.760 -12.650 0.00 0.00 -ATOM 586 CB VAL X 38 29.630 -7.810 -11.920 0.00 0.00 -ATOM 587 HB VAL X 38 28.970 -8.600 -11.980 0.00 0.00 -ATOM 588 CG1 VAL X 38 31.020 -8.230 -12.260 0.00 0.00 -ATOM 589 2HG1 VAL X 38 31.540 -7.350 -12.660 0.00 0.00 -ATOM 590 3HG1 VAL X 38 31.590 -8.710 -11.460 0.00 0.00 -ATOM 591 4HG1 VAL X 38 31.070 -9.000 -13.030 0.00 0.00 -ATOM 592 CG2 VAL X 38 29.610 -7.030 -10.540 0.00 0.00 -ATOM 593 2HG2 VAL X 38 30.590 -6.470 -10.470 0.00 0.00 -ATOM 594 3HG2 VAL X 38 28.890 -6.210 -10.420 0.00 0.00 -ATOM 595 4HG2 VAL X 38 29.560 -7.730 -9.720 0.00 0.00 -ATOM 596 C VAL X 38 29.340 -7.180 -14.310 0.00 0.00 -ATOM 597 O VAL X 38 30.440 -6.960 -14.830 0.00 0.00 -ATOM 598 N TYR X 39 28.330 -7.920 -14.790 0.00 0.00 -ATOM 599 H TYR X 39 27.460 -7.910 -14.250 0.00 0.00 -ATOM 600 CA TYR X 39 28.210 -8.460 -16.120 0.00 0.00 -ATOM 601 HA TYR X 39 29.160 -8.510 -16.630 0.00 0.00 -ATOM 602 CB TYR X 39 27.690 -9.860 -16.000 0.00 0.00 -ATOM 603 2HB TYR X 39 27.490 -10.300 -16.970 0.00 0.00 -ATOM 604 3HB TYR X 39 26.740 -9.750 -15.550 0.00 0.00 -ATOM 605 CG TYR X 39 28.340 -10.950 -15.130 0.00 0.00 -ATOM 606 CD1 TYR X 39 29.340 -11.830 -15.630 0.00 0.00 -ATOM 607 HD1 TYR X 39 29.730 -11.720 -16.580 0.00 0.00 -ATOM 608 CE1 TYR X 39 29.680 -12.940 -14.800 0.00 0.00 -ATOM 609 HE1 TYR X 39 30.340 -13.600 -15.300 0.00 0.00 -ATOM 610 CZ TYR X 39 29.220 -13.110 -13.500 0.00 0.00 -ATOM 611 OH TYR X 39 29.810 -14.120 -12.830 0.00 0.00 -ATOM 612 HH TYR X 39 29.330 -14.360 -12.010 0.00 0.00 -ATOM 613 CE2 TYR X 39 28.330 -12.150 -12.960 0.00 0.00 -ATOM 614 HE2 TYR X 39 28.070 -12.230 -11.910 0.00 0.00 -ATOM 615 CD2 TYR X 39 27.800 -11.140 -13.830 0.00 0.00 -ATOM 616 HD2 TYR X 39 27.010 -10.550 -13.490 0.00 0.00 -ATOM 617 C TYR X 39 27.270 -7.690 -17.100 0.00 0.00 -ATOM 618 O TYR X 39 26.710 -8.180 -18.080 0.00 0.00 -ATOM 619 N LEU X 40 27.130 -6.350 -16.800 0.00 0.00 -ATOM 620 H LEU X 40 27.620 -6.010 -15.990 0.00 0.00 -ATOM 621 CA LEU X 40 26.370 -5.280 -17.450 0.00 0.00 -ATOM 622 HA LEU X 40 26.180 -4.560 -16.610 0.00 0.00 -ATOM 623 CB LEU X 40 27.140 -4.550 -18.620 0.00 0.00 -ATOM 624 2HB LEU X 40 26.520 -3.840 -19.100 0.00 0.00 -ATOM 625 3HB LEU X 40 27.460 -5.280 -19.320 0.00 0.00 -ATOM 626 CG LEU X 40 28.260 -3.720 -18.000 0.00 0.00 -ATOM 627 HG LEU X 40 27.830 -2.860 -17.520 0.00 0.00 -ATOM 628 CD1 LEU X 40 29.260 -4.300 -17.050 0.00 0.00 -ATOM 629 2HD1 LEU X 40 29.970 -3.510 -16.880 0.00 0.00 -ATOM 630 3HD1 LEU X 40 28.790 -4.640 -16.130 0.00 0.00 -ATOM 631 4HD1 LEU X 40 29.720 -5.080 -17.580 0.00 0.00 -ATOM 632 CD2 LEU X 40 29.010 -3.310 -19.260 0.00 0.00 -ATOM 633 2HD2 LEU X 40 28.350 -2.980 -20.020 0.00 0.00 -ATOM 634 3HD2 LEU X 40 29.680 -2.540 -18.980 0.00 0.00 -ATOM 635 4HD2 LEU X 40 29.570 -4.160 -19.580 0.00 0.00 -ATOM 636 C LEU X 40 25.030 -5.790 -17.860 0.00 0.00 -ATOM 637 O LEU X 40 24.510 -5.340 -18.850 0.00 0.00 -ATOM 638 N LYS X 41 24.390 -6.630 -17.090 0.00 0.00 -ATOM 639 H LYS X 41 24.960 -7.020 -16.360 0.00 0.00 -ATOM 640 CA LYS X 41 22.920 -6.880 -17.110 0.00 0.00 -ATOM 641 HA LYS X 41 22.710 -7.220 -18.140 0.00 0.00 -ATOM 642 CB LYS X 41 22.590 -7.850 -15.940 0.00 0.00 -ATOM 643 2HB LYS X 41 21.550 -8.060 -15.730 0.00 0.00 -ATOM 644 3HB LYS X 41 22.970 -7.510 -14.990 0.00 0.00 -ATOM 645 CG LYS X 41 23.310 -9.180 -16.220 0.00 0.00 -ATOM 646 2HG LYS X 41 24.440 -9.090 -16.230 0.00 0.00 -ATOM 647 3HG LYS X 41 23.080 -9.360 -17.270 0.00 0.00 -ATOM 648 CD LYS X 41 22.840 -10.370 -15.390 0.00 0.00 -ATOM 649 2HD LYS X 41 21.850 -10.310 -15.630 0.00 0.00 -ATOM 650 3HD LYS X 41 23.130 -10.220 -14.350 0.00 0.00 -ATOM 651 CE LYS X 41 23.390 -11.650 -15.920 0.00 0.00 -ATOM 652 2HE LYS X 41 23.150 -12.450 -15.310 0.00 0.00 -ATOM 653 3HE LYS X 41 24.540 -11.570 -15.880 0.00 0.00 -ATOM 654 NZ LYS X 41 22.920 -11.930 -17.340 0.00 0.00 -ATOM 655 2HZ LYS X 41 23.260 -11.150 -17.970 0.00 0.00 -ATOM 656 3HZ LYS X 41 23.160 -12.820 -17.690 0.00 0.00 -ATOM 657 4HZ LYS X 41 21.930 -12.020 -17.450 0.00 0.00 -ATOM 658 C LYS X 41 22.000 -5.690 -16.920 0.00 0.00 -ATOM 659 O LYS X 41 22.270 -4.870 -16.040 0.00 0.00 -ATOM 660 N HID X 42 20.940 -5.510 -17.720 0.00 0.00 -ATOM 661 H HID X 42 20.650 -6.060 -18.540 0.00 0.00 -ATOM 662 CA HID X 42 20.210 -4.200 -17.680 0.00 0.00 -ATOM 663 HA HID X 42 20.590 -3.560 -16.850 0.00 0.00 -ATOM 664 CB HID X 42 20.400 -3.540 -19.000 0.00 0.00 -ATOM 665 2HB HID X 42 19.550 -2.930 -19.270 0.00 0.00 -ATOM 666 3HB HID X 42 20.360 -4.210 -19.840 0.00 0.00 -ATOM 667 CG HID X 42 21.580 -2.590 -19.030 0.00 0.00 -ATOM 668 ND1 HID X 42 22.920 -3.130 -19.100 0.00 0.00 -ATOM 669 HD1 HID X 42 23.140 -4.060 -19.120 0.00 0.00 -ATOM 670 CE1 HID X 42 23.760 -2.190 -18.760 0.00 0.00 -ATOM 671 HE1 HID X 42 24.820 -2.320 -18.630 0.00 0.00 -ATOM 672 NE2 HID X 42 23.060 -1.140 -18.370 0.00 0.00 -ATOM 673 CD2 HID X 42 21.690 -1.350 -18.500 0.00 0.00 -ATOM 674 HD2 HID X 42 20.920 -0.840 -17.900 0.00 0.00 -ATOM 675 C HID X 42 18.770 -4.450 -17.210 0.00 0.00 -ATOM 676 O HID X 42 17.860 -3.560 -17.200 0.00 0.00 -ATOM 677 N GLY X 43 18.340 -5.610 -16.690 0.00 0.00 -ATOM 678 H GLY X 43 18.970 -6.430 -16.600 0.00 0.00 -ATOM 679 CA GLY X 43 16.960 -5.740 -16.290 0.00 0.00 -ATOM 680 2HA GLY X 43 16.810 -6.780 -16.090 0.00 0.00 -ATOM 681 3HA GLY X 43 16.240 -5.400 -17.050 0.00 0.00 -ATOM 682 C GLY X 43 16.600 -4.960 -15.000 0.00 0.00 -ATOM 683 O GLY X 43 15.400 -4.820 -14.820 0.00 0.00 -ATOM 684 N GLY X 44 17.590 -4.490 -14.170 0.00 0.00 -ATOM 685 H GLY X 44 18.530 -4.860 -14.260 0.00 0.00 -ATOM 686 CA GLY X 44 17.300 -3.550 -13.070 0.00 0.00 -ATOM 687 2HA GLY X 44 16.910 -4.090 -12.170 0.00 0.00 -ATOM 688 3HA GLY X 44 16.540 -2.920 -13.410 0.00 0.00 -ATOM 689 C GLY X 44 18.450 -2.640 -12.600 0.00 0.00 -ATOM 690 O GLY X 44 19.380 -2.290 -13.370 0.00 0.00 -ATOM 691 N GLY X 45 18.450 -2.220 -11.370 0.00 0.00 -ATOM 692 H GLY X 45 17.560 -2.280 -10.920 0.00 0.00 -ATOM 693 CA GLY X 45 19.370 -1.180 -10.940 0.00 0.00 -ATOM 694 2HA GLY X 45 20.350 -1.470 -11.120 0.00 0.00 -ATOM 695 3HA GLY X 45 19.240 -1.090 -9.890 0.00 0.00 -ATOM 696 C GLY X 45 19.010 0.130 -11.670 0.00 0.00 -ATOM 697 O GLY X 45 18.100 0.250 -12.550 0.00 0.00 -ATOM 698 N VAL X 46 19.670 1.210 -11.390 0.00 0.00 -ATOM 699 H VAL X 46 20.310 1.120 -10.570 0.00 0.00 -ATOM 700 CA VAL X 46 19.550 2.480 -12.100 0.00 0.00 -ATOM 701 HA VAL X 46 18.530 2.900 -12.030 0.00 0.00 -ATOM 702 CB VAL X 46 20.530 3.590 -11.650 0.00 0.00 -ATOM 703 HB VAL X 46 20.740 4.400 -12.400 0.00 0.00 -ATOM 704 CG1 VAL X 46 19.840 4.460 -10.660 0.00 0.00 -ATOM 705 2HG1 VAL X 46 20.580 5.090 -10.270 0.00 0.00 -ATOM 706 3HG1 VAL X 46 19.050 5.070 -11.130 0.00 0.00 -ATOM 707 4HG1 VAL X 46 19.370 3.820 -9.910 0.00 0.00 -ATOM 708 CG2 VAL X 46 21.880 3.090 -11.100 0.00 0.00 -ATOM 709 2HG2 VAL X 46 22.400 3.960 -10.710 0.00 0.00 -ATOM 710 3HG2 VAL X 46 21.750 2.340 -10.360 0.00 0.00 -ATOM 711 4HG2 VAL X 46 22.480 2.650 -11.950 0.00 0.00 -ATOM 712 C VAL X 46 19.950 2.240 -13.580 0.00 0.00 -ATOM 713 O VAL X 46 19.580 3.050 -14.470 0.00 0.00 -ATOM 714 N ALA X 47 20.810 1.300 -13.860 0.00 0.00 -ATOM 715 H ALA X 47 21.430 0.870 -13.190 0.00 0.00 -ATOM 716 CA ALA X 47 21.020 0.730 -15.230 0.00 0.00 -ATOM 717 HA ALA X 47 21.600 1.430 -15.800 0.00 0.00 -ATOM 718 CB ALA X 47 21.860 -0.560 -15.050 0.00 0.00 -ATOM 719 2HB ALA X 47 21.280 -1.470 -14.970 0.00 0.00 -ATOM 720 3HB ALA X 47 22.600 -0.700 -15.840 0.00 0.00 -ATOM 721 4HB ALA X 47 22.580 -0.520 -14.300 0.00 0.00 -ATOM 722 C ALA X 47 19.650 0.550 -15.910 0.00 0.00 -ATOM 723 O ALA X 47 19.420 1.060 -16.990 0.00 0.00 -ATOM 724 N GLY X 48 18.690 -0.130 -15.240 0.00 0.00 -ATOM 725 H GLY X 48 18.880 -0.480 -14.320 0.00 0.00 -ATOM 726 CA GLY X 48 17.430 -0.520 -15.910 0.00 0.00 -ATOM 727 2HA GLY X 48 16.740 -1.100 -15.330 0.00 0.00 -ATOM 728 3HA GLY X 48 17.600 -1.090 -16.800 0.00 0.00 -ATOM 729 C GLY X 48 16.630 0.660 -16.370 0.00 0.00 -ATOM 730 O GLY X 48 15.920 0.530 -17.370 0.00 0.00 -ATOM 731 N ALA X 49 16.730 1.730 -15.650 0.00 0.00 -ATOM 732 H ALA X 49 17.440 1.730 -14.950 0.00 0.00 -ATOM 733 CA ALA X 49 16.180 3.010 -16.140 0.00 0.00 -ATOM 734 HA ALA X 49 15.120 2.820 -16.310 0.00 0.00 -ATOM 735 CB ALA X 49 16.310 4.120 -15.090 0.00 0.00 -ATOM 736 2HB ALA X 49 15.540 4.040 -14.300 0.00 0.00 -ATOM 737 3HB ALA X 49 17.260 4.160 -14.560 0.00 0.00 -ATOM 738 4HB ALA X 49 16.260 5.080 -15.610 0.00 0.00 -ATOM 739 C ALA X 49 16.840 3.380 -17.480 0.00 0.00 -ATOM 740 O ALA X 49 16.160 3.620 -18.460 0.00 0.00 -ATOM 741 N LEU X 50 18.160 3.470 -17.600 0.00 0.00 -ATOM 742 H LEU X 50 18.550 3.520 -16.680 0.00 0.00 -ATOM 743 CA LEU X 50 18.870 3.970 -18.820 0.00 0.00 -ATOM 744 HA LEU X 50 18.510 4.960 -18.940 0.00 0.00 -ATOM 745 CB LEU X 50 20.420 4.110 -18.730 0.00 0.00 -ATOM 746 2HB LEU X 50 20.930 4.460 -19.600 0.00 0.00 -ATOM 747 3HB LEU X 50 20.910 3.170 -18.440 0.00 0.00 -ATOM 748 CG LEU X 50 20.730 5.190 -17.630 0.00 0.00 -ATOM 749 HG LEU X 50 19.960 5.130 -16.910 0.00 0.00 -ATOM 750 CD1 LEU X 50 22.100 4.680 -17.100 0.00 0.00 -ATOM 751 2HD1 LEU X 50 22.870 4.470 -17.920 0.00 0.00 -ATOM 752 3HD1 LEU X 50 22.560 5.390 -16.490 0.00 0.00 -ATOM 753 4HD1 LEU X 50 21.960 3.720 -16.570 0.00 0.00 -ATOM 754 CD2 LEU X 50 20.940 6.570 -18.230 0.00 0.00 -ATOM 755 2HD2 LEU X 50 21.610 6.590 -19.070 0.00 0.00 -ATOM 756 3HD2 LEU X 50 19.980 6.900 -18.670 0.00 0.00 -ATOM 757 4HD2 LEU X 50 21.250 7.280 -17.490 0.00 0.00 -ATOM 758 C LEU X 50 18.550 3.230 -20.100 0.00 0.00 -ATOM 759 O LEU X 50 18.640 3.870 -21.150 0.00 0.00 -ATOM 760 N ASN X 51 18.210 1.920 -19.980 0.00 0.00 -ATOM 761 H ASN X 51 18.290 1.500 -19.090 0.00 0.00 -ATOM 762 CA ASN X 51 17.680 1.000 -21.020 0.00 0.00 -ATOM 763 HA ASN X 51 18.440 0.830 -21.770 0.00 0.00 -ATOM 764 CB ASN X 51 17.450 -0.340 -20.340 0.00 0.00 -ATOM 765 2HB ASN X 51 16.530 -0.320 -19.740 0.00 0.00 -ATOM 766 3HB ASN X 51 18.220 -0.600 -19.650 0.00 0.00 -ATOM 767 CG ASN X 51 17.500 -1.490 -21.370 0.00 0.00 -ATOM 768 OD1 ASN X 51 18.460 -1.700 -22.090 0.00 0.00 -ATOM 769 ND2 ASN X 51 16.480 -2.250 -21.530 0.00 0.00 -ATOM 770 2HD2 ASN X 51 16.600 -2.800 -22.360 0.00 0.00 -ATOM 771 3HD2 ASN X 51 15.640 -2.250 -21.010 0.00 0.00 -ATOM 772 C ASN X 51 16.380 1.500 -21.740 0.00 0.00 -ATOM 773 O ASN X 51 16.180 1.380 -22.950 0.00 0.00 -ATOM 774 N LYS X 52 15.570 2.330 -21.000 0.00 0.00 -ATOM 775 H LYS X 52 15.830 2.430 -19.980 0.00 0.00 -ATOM 776 CA LYS X 52 14.410 3.000 -21.510 0.00 0.00 -ATOM 777 HA LYS X 52 13.690 2.290 -21.890 0.00 0.00 -ATOM 778 CB LYS X 52 13.800 3.960 -20.520 0.00 0.00 -ATOM 779 2HB LYS X 52 14.460 4.730 -20.310 0.00 0.00 -ATOM 780 3HB LYS X 52 13.780 3.290 -19.710 0.00 0.00 -ATOM 781 CG LYS X 52 12.430 4.550 -20.960 0.00 0.00 -ATOM 782 2HG LYS X 52 12.110 4.120 -21.910 0.00 0.00 -ATOM 783 3HG LYS X 52 12.450 5.640 -20.980 0.00 0.00 -ATOM 784 CD LYS X 52 11.350 4.160 -19.960 0.00 0.00 -ATOM 785 2HD LYS X 52 11.680 4.440 -18.970 0.00 0.00 -ATOM 786 3HD LYS X 52 11.250 3.090 -19.850 0.00 0.00 -ATOM 787 CE LYS X 52 9.860 4.610 -20.150 0.00 0.00 -ATOM 788 2HE LYS X 52 9.380 4.440 -21.210 0.00 0.00 -ATOM 789 3HE LYS X 52 9.830 5.670 -20.190 0.00 0.00 -ATOM 790 NZ LYS X 52 8.940 4.050 -19.160 0.00 0.00 -ATOM 791 2HZ LYS X 52 9.420 3.870 -18.260 0.00 0.00 -ATOM 792 3HZ LYS X 52 7.990 4.510 -19.110 0.00 0.00 -ATOM 793 4HZ LYS X 52 8.580 3.110 -19.360 0.00 0.00 -ATOM 794 C LYS X 52 14.740 3.770 -22.780 0.00 0.00 -ATOM 795 O LYS X 52 13.900 3.920 -23.580 0.00 0.00 -ATOM 796 N ALA X 53 15.900 4.310 -22.960 0.00 0.00 -ATOM 797 H ALA X 53 16.640 4.100 -22.310 0.00 0.00 -ATOM 798 CA ALA X 53 16.050 5.530 -23.800 0.00 0.00 -ATOM 799 HA ALA X 53 15.280 6.240 -23.570 0.00 0.00 -ATOM 800 CB ALA X 53 17.410 6.090 -23.640 0.00 0.00 -ATOM 801 2HB ALA X 53 18.220 5.410 -23.950 0.00 0.00 -ATOM 802 3HB ALA X 53 17.530 7.020 -24.170 0.00 0.00 -ATOM 803 4HB ALA X 53 17.670 6.460 -22.700 0.00 0.00 -ATOM 804 C ALA X 53 15.780 5.130 -25.280 0.00 0.00 -ATOM 805 O ALA X 53 15.150 5.880 -25.970 0.00 0.00 -ATOM 806 N THR X 54 16.090 3.910 -25.730 0.00 0.00 -ATOM 807 H THR X 54 16.540 3.340 -24.970 0.00 0.00 -ATOM 808 CA THR X 54 15.450 3.290 -26.990 0.00 0.00 -ATOM 809 HA THR X 54 14.800 3.980 -27.500 0.00 0.00 -ATOM 810 CB THR X 54 16.580 2.950 -28.020 0.00 0.00 -ATOM 811 HB THR X 54 16.120 2.640 -28.980 0.00 0.00 -ATOM 812 CG2 THR X 54 17.400 4.190 -28.320 0.00 0.00 -ATOM 813 2HG2 THR X 54 18.000 3.980 -29.160 0.00 0.00 -ATOM 814 3HG2 THR X 54 16.670 5.010 -28.670 0.00 0.00 -ATOM 815 4HG2 THR X 54 18.020 4.400 -27.460 0.00 0.00 -ATOM 816 OG1 THR X 54 17.570 1.970 -27.600 0.00 0.00 -ATOM 817 HG1 THR X 54 18.360 2.240 -28.130 0.00 0.00 -ATOM 818 C THR X 54 14.580 2.000 -26.880 0.00 0.00 -ATOM 819 O THR X 54 14.150 1.440 -27.860 0.00 0.00 -ATOM 820 N ASN X 55 14.170 1.550 -25.740 0.00 0.00 -ATOM 821 H ASN X 55 14.190 2.200 -24.950 0.00 0.00 -ATOM 822 CA ASN X 55 13.460 0.240 -25.370 0.00 0.00 -ATOM 823 HA ASN X 55 12.920 0.460 -24.390 0.00 0.00 -ATOM 824 CB ASN X 55 12.370 -0.100 -26.360 0.00 0.00 -ATOM 825 2HB ASN X 55 12.960 -0.520 -27.230 0.00 0.00 -ATOM 826 3HB ASN X 55 11.770 0.730 -26.800 0.00 0.00 -ATOM 827 CG ASN X 55 11.320 -1.050 -25.880 0.00 0.00 -ATOM 828 OD1 ASN X 55 11.150 -1.370 -24.680 0.00 0.00 -ATOM 829 ND2 ASN X 55 10.650 -1.630 -26.810 0.00 0.00 -ATOM 830 2HD2 ASN X 55 9.860 -2.100 -26.450 0.00 0.00 -ATOM 831 3HD2 ASN X 55 10.740 -1.200 -27.780 0.00 0.00 -ATOM 832 C ASN X 55 14.530 -0.890 -25.180 0.00 0.00 -ATOM 833 O ASN X 55 14.270 -1.860 -24.410 0.00 0.00 -ATOM 834 N ASN X 56 15.720 -0.730 -25.650 0.00 0.00 -ATOM 835 H ASN X 56 15.820 -0.030 -26.300 0.00 0.00 -ATOM 836 CA ASN X 56 16.870 -1.660 -25.480 0.00 0.00 -ATOM 837 HA ASN X 56 16.670 -2.300 -24.570 0.00 0.00 -ATOM 838 CB ASN X 56 16.900 -2.700 -26.610 0.00 0.00 -ATOM 839 2HB ASN X 56 17.460 -3.470 -26.240 0.00 0.00 -ATOM 840 3HB ASN X 56 17.400 -2.260 -27.490 0.00 0.00 -ATOM 841 CG ASN X 56 15.480 -3.220 -27.070 0.00 0.00 -ATOM 842 OD1 ASN X 56 14.740 -3.850 -26.340 0.00 0.00 -ATOM 843 ND2 ASN X 56 15.200 -3.210 -28.330 0.00 0.00 -ATOM 844 2HD2 ASN X 56 14.340 -3.550 -28.720 0.00 0.00 -ATOM 845 3HD2 ASN X 56 15.860 -2.670 -28.920 0.00 0.00 -ATOM 846 C ASN X 56 18.300 -1.030 -25.200 0.00 0.00 -ATOM 847 O ASN X 56 19.300 -1.800 -25.290 0.00 0.00 -ATOM 848 N ALA X 57 18.370 0.250 -24.890 0.00 0.00 -ATOM 849 H ALA X 57 17.530 0.770 -24.880 0.00 0.00 -ATOM 850 CA ALA X 57 19.610 0.990 -25.050 0.00 0.00 -ATOM 851 HA ALA X 57 19.830 1.150 -26.110 0.00 0.00 -ATOM 852 CB ALA X 57 19.240 2.400 -24.430 0.00 0.00 -ATOM 853 2HB ALA X 57 19.910 3.150 -24.790 0.00 0.00 -ATOM 854 3HB ALA X 57 18.230 2.730 -24.750 0.00 0.00 -ATOM 855 4HB ALA X 57 19.140 2.350 -23.310 0.00 0.00 -ATOM 856 C ALA X 57 20.940 0.370 -24.480 0.00 0.00 -ATOM 857 O ALA X 57 21.980 0.810 -24.990 0.00 0.00 -ATOM 858 N MET X 58 20.950 -0.490 -23.470 0.00 0.00 -ATOM 859 H MET X 58 20.090 -0.920 -23.210 0.00 0.00 -ATOM 860 CA MET X 58 22.210 -1.190 -23.140 0.00 0.00 -ATOM 861 HA MET X 58 22.970 -0.940 -23.850 0.00 0.00 -ATOM 862 CB MET X 58 22.730 -0.730 -21.870 0.00 0.00 -ATOM 863 2HB MET X 58 23.400 -1.460 -21.470 0.00 0.00 -ATOM 864 3HB MET X 58 21.840 -0.690 -21.200 0.00 0.00 -ATOM 865 CG MET X 58 23.180 0.730 -21.850 0.00 0.00 -ATOM 866 2HG MET X 58 22.590 1.170 -22.590 0.00 0.00 -ATOM 867 3HG MET X 58 24.190 0.750 -22.230 0.00 0.00 -ATOM 868 SD MET X 58 22.960 1.660 -20.330 0.00 0.00 -ATOM 869 CE MET X 58 23.280 3.400 -20.860 0.00 0.00 -ATOM 870 2HE MET X 58 22.560 3.750 -21.560 0.00 0.00 -ATOM 871 3HE MET X 58 23.410 3.990 -20.020 0.00 0.00 -ATOM 872 4HE MET X 58 24.210 3.400 -21.420 0.00 0.00 -ATOM 873 C MET X 58 22.150 -2.680 -23.210 0.00 0.00 -ATOM 874 O MET X 58 23.100 -3.410 -23.400 0.00 0.00 -ATOM 875 N GLN X 59 20.950 -3.220 -22.980 0.00 0.00 -ATOM 876 H GLN X 59 20.140 -2.630 -22.730 0.00 0.00 -ATOM 877 CA GLN X 59 20.640 -4.660 -22.910 0.00 0.00 -ATOM 878 HA GLN X 59 21.310 -5.100 -22.210 0.00 0.00 -ATOM 879 CB GLN X 59 19.160 -4.770 -22.540 0.00 0.00 -ATOM 880 2HB GLN X 59 18.600 -4.360 -23.440 0.00 0.00 -ATOM 881 3HB GLN X 59 18.970 -4.070 -21.710 0.00 0.00 -ATOM 882 CG GLN X 59 18.610 -6.190 -22.170 0.00 0.00 -ATOM 883 2HG GLN X 59 18.950 -6.820 -22.980 0.00 0.00 -ATOM 884 3HG GLN X 59 17.540 -6.220 -22.070 0.00 0.00 -ATOM 885 CD GLN X 59 19.270 -6.670 -20.950 0.00 0.00 -ATOM 886 OE1 GLN X 59 18.870 -6.450 -19.810 0.00 0.00 -ATOM 887 NE2 GLN X 59 20.450 -7.320 -20.940 0.00 0.00 -ATOM 888 2HE2 GLN X 59 20.850 -7.740 -21.780 0.00 0.00 -ATOM 889 3HE2 GLN X 59 20.800 -7.770 -20.120 0.00 0.00 -ATOM 890 C GLN X 59 20.960 -5.440 -24.200 0.00 0.00 -ATOM 891 O GLN X 59 21.090 -6.610 -24.200 0.00 0.00 -ATOM 892 N VAL X 60 21.130 -4.760 -25.370 0.00 0.00 -ATOM 893 H VAL X 60 21.110 -3.730 -25.360 0.00 0.00 -ATOM 894 CA VAL X 60 21.250 -5.410 -26.640 0.00 0.00 -ATOM 895 HA VAL X 60 20.540 -6.230 -26.730 0.00 0.00 -ATOM 896 CB VAL X 60 20.850 -4.380 -27.780 0.00 0.00 -ATOM 897 HB VAL X 60 19.800 -4.410 -27.600 0.00 0.00 -ATOM 898 CG1 VAL X 60 21.320 -2.930 -27.690 0.00 0.00 -ATOM 899 2HG1 VAL X 60 20.770 -2.240 -28.280 0.00 0.00 -ATOM 900 3HG1 VAL X 60 21.310 -2.570 -26.660 0.00 0.00 -ATOM 901 4HG1 VAL X 60 22.340 -2.870 -27.920 0.00 0.00 -ATOM 902 CG2 VAL X 60 20.950 -4.980 -29.150 0.00 0.00 -ATOM 903 2HG2 VAL X 60 20.810 -4.370 -30.010 0.00 0.00 -ATOM 904 3HG2 VAL X 60 21.910 -5.300 -29.450 0.00 0.00 -ATOM 905 4HG2 VAL X 60 20.250 -5.810 -29.330 0.00 0.00 -ATOM 906 C VAL X 60 22.660 -6.020 -26.800 0.00 0.00 -ATOM 907 O VAL X 60 22.810 -7.180 -27.220 0.00 0.00 -ATOM 908 N GLU X 61 23.630 -5.210 -26.320 0.00 0.00 -ATOM 909 H GLU X 61 23.320 -4.420 -25.740 0.00 0.00 -ATOM 910 CA GLU X 61 25.030 -5.300 -26.830 0.00 0.00 -ATOM 911 HA GLU X 61 25.290 -6.260 -26.950 0.00 0.00 -ATOM 912 CB GLU X 61 25.050 -4.470 -28.110 0.00 0.00 -ATOM 913 2HB GLU X 61 24.740 -3.410 -27.920 0.00 0.00 -ATOM 914 3HB GLU X 61 24.240 -4.900 -28.770 0.00 0.00 -ATOM 915 CG GLU X 61 26.210 -4.630 -29.000 0.00 0.00 -ATOM 916 2HG GLU X 61 26.900 -3.810 -28.900 0.00 0.00 -ATOM 917 3HG GLU X 61 25.800 -4.520 -29.970 0.00 0.00 -ATOM 918 CD GLU X 61 26.940 -5.970 -29.000 0.00 0.00 -ATOM 919 OE1 GLU X 61 28.180 -6.020 -28.880 0.00 0.00 -ATOM 920 OE2 GLU X 61 26.350 -7.070 -29.120 0.00 0.00 -ATOM 921 C GLU X 61 25.950 -4.740 -25.810 0.00 0.00 -ATOM 922 O GLU X 61 27.050 -5.280 -25.830 0.00 0.00 -ATOM 923 N SER X 62 25.630 -3.880 -24.840 0.00 0.00 -ATOM 924 H SER X 62 24.780 -3.380 -24.850 0.00 0.00 -ATOM 925 CA SER X 62 26.510 -3.570 -23.660 0.00 0.00 -ATOM 926 HA SER X 62 27.550 -3.570 -23.900 0.00 0.00 -ATOM 927 CB SER X 62 26.050 -2.200 -23.100 0.00 0.00 -ATOM 928 2HB SER X 62 26.640 -1.900 -22.270 0.00 0.00 -ATOM 929 3HB SER X 62 25.000 -2.160 -22.860 0.00 0.00 -ATOM 930 OG SER X 62 26.270 -1.400 -24.260 0.00 0.00 -ATOM 931 HG SER X 62 25.910 -0.520 -24.040 0.00 0.00 -ATOM 932 C SER X 62 26.370 -4.640 -22.580 0.00 0.00 -ATOM 933 O SER X 62 27.360 -4.890 -21.930 0.00 0.00 -ATOM 934 N ASP X 63 25.270 -5.320 -22.650 0.00 0.00 -ATOM 935 H ASP X 63 24.480 -4.880 -22.990 0.00 0.00 -ATOM 936 CA ASP X 63 25.070 -6.650 -22.190 0.00 0.00 -ATOM 937 HA ASP X 63 25.050 -6.640 -21.120 0.00 0.00 -ATOM 938 CB ASP X 63 23.730 -7.050 -22.900 0.00 0.00 -ATOM 939 2HB ASP X 63 23.830 -6.740 -23.980 0.00 0.00 -ATOM 940 3HB ASP X 63 22.840 -6.550 -22.400 0.00 0.00 -ATOM 941 CG ASP X 63 23.380 -8.530 -22.870 0.00 0.00 -ATOM 942 OD1 ASP X 63 23.930 -9.260 -23.740 0.00 0.00 -ATOM 943 OD2 ASP X 63 22.640 -9.010 -21.980 0.00 0.00 -ATOM 944 C ASP X 63 26.180 -7.680 -22.460 0.00 0.00 -ATOM 945 O ASP X 63 26.310 -8.650 -21.710 0.00 0.00 -ATOM 946 N ASP X 64 26.870 -7.420 -23.570 0.00 0.00 -ATOM 947 H ASP X 64 26.700 -6.500 -23.910 0.00 0.00 -ATOM 948 CA ASP X 64 27.680 -8.350 -24.370 0.00 0.00 -ATOM 949 HA ASP X 64 27.560 -9.420 -24.030 0.00 0.00 -ATOM 950 CB ASP X 64 27.110 -8.410 -25.810 0.00 0.00 -ATOM 951 2HB ASP X 64 27.520 -7.660 -26.450 0.00 0.00 -ATOM 952 3HB ASP X 64 25.980 -8.310 -25.740 0.00 0.00 -ATOM 953 CG ASP X 64 27.330 -9.760 -26.380 0.00 0.00 -ATOM 954 OD1 ASP X 64 26.500 -10.660 -26.060 0.00 0.00 -ATOM 955 OD2 ASP X 64 28.100 -9.840 -27.350 0.00 0.00 -ATOM 956 C ASP X 64 29.180 -8.070 -24.360 0.00 0.00 -ATOM 957 O ASP X 64 29.970 -8.590 -25.130 0.00 0.00 -ATOM 958 N TYR X 65 29.750 -7.220 -23.450 0.00 0.00 -ATOM 959 H TYR X 65 29.220 -6.700 -22.750 0.00 0.00 -ATOM 960 CA TYR X 65 31.180 -7.080 -23.230 0.00 0.00 -ATOM 961 HA TYR X 65 31.550 -6.870 -24.250 0.00 0.00 -ATOM 962 CB TYR X 65 31.500 -5.910 -22.180 0.00 0.00 -ATOM 963 2HB TYR X 65 31.410 -6.270 -21.100 0.00 0.00 -ATOM 964 3HB TYR X 65 30.680 -5.240 -22.340 0.00 0.00 -ATOM 965 CG TYR X 65 32.790 -5.090 -22.320 0.00 0.00 -ATOM 966 CD1 TYR X 65 33.180 -4.380 -23.480 0.00 0.00 -ATOM 967 HD1 TYR X 65 32.690 -4.560 -24.490 0.00 0.00 -ATOM 968 CE1 TYR X 65 34.210 -3.390 -23.430 0.00 0.00 -ATOM 969 HE1 TYR X 65 34.480 -3.020 -24.400 0.00 0.00 -ATOM 970 CZ TYR X 65 34.810 -3.020 -22.190 0.00 0.00 -ATOM 971 OH TYR X 65 35.800 -2.060 -22.180 0.00 0.00 -ATOM 972 HH TYR X 65 36.050 -1.880 -23.110 0.00 0.00 -ATOM 973 CE2 TYR X 65 34.490 -3.830 -21.040 0.00 0.00 -ATOM 974 HE2 TYR X 65 35.030 -3.700 -20.100 0.00 0.00 -ATOM 975 CD2 TYR X 65 33.550 -4.860 -21.190 0.00 0.00 -ATOM 976 HD2 TYR X 65 33.410 -5.500 -20.350 0.00 0.00 -ATOM 977 C TYR X 65 31.890 -8.390 -22.710 0.00 0.00 -ATOM 978 O TYR X 65 33.050 -8.460 -22.680 0.00 0.00 -ATOM 979 N ILE X 66 30.990 -9.360 -22.420 0.00 0.00 -ATOM 980 H ILE X 66 30.010 -9.050 -22.570 0.00 0.00 -ATOM 981 CA ILE X 66 31.240 -10.600 -21.680 0.00 0.00 -ATOM 982 HA ILE X 66 31.350 -10.300 -20.620 0.00 0.00 -ATOM 983 CB ILE X 66 29.950 -11.530 -21.970 0.00 0.00 -ATOM 984 HB ILE X 66 29.730 -11.250 -23.000 0.00 0.00 -ATOM 985 CG2 ILE X 66 30.070 -13.070 -21.990 0.00 0.00 -ATOM 986 2HG2 ILE X 66 30.860 -13.320 -22.730 0.00 0.00 -ATOM 987 3HG2 ILE X 66 30.340 -13.340 -20.960 0.00 0.00 -ATOM 988 4HG2 ILE X 66 29.150 -13.520 -22.330 0.00 0.00 -ATOM 989 CG1 ILE X 66 28.710 -11.090 -21.230 0.00 0.00 -ATOM 990 2HG1 ILE X 66 27.940 -11.820 -21.380 0.00 0.00 -ATOM 991 3HG1 ILE X 66 28.310 -10.170 -21.660 0.00 0.00 -ATOM 992 CD ILE X 66 28.970 -11.030 -19.720 0.00 0.00 -ATOM 993 2HD ILE X 66 29.400 -11.980 -19.460 0.00 0.00 -ATOM 994 3HD ILE X 66 29.600 -10.200 -19.500 0.00 0.00 -ATOM 995 4HD ILE X 66 27.960 -10.990 -19.330 0.00 0.00 -ATOM 996 C ILE X 66 32.520 -11.450 -22.130 0.00 0.00 -ATOM 997 O ILE X 66 33.140 -12.120 -21.310 0.00 0.00 -ATOM 998 N ALA X 67 32.820 -11.590 -23.410 0.00 0.00 -ATOM 999 H ALA X 67 32.180 -11.200 -24.030 0.00 0.00 -ATOM 1000 CA ALA X 67 33.980 -12.300 -24.010 0.00 0.00 -ATOM 1001 HA ALA X 67 34.720 -12.450 -23.220 0.00 0.00 -ATOM 1002 CB ALA X 67 33.610 -13.680 -24.580 0.00 0.00 -ATOM 1003 2HB ALA X 67 32.630 -13.700 -25.070 0.00 0.00 -ATOM 1004 3HB ALA X 67 34.350 -13.890 -25.310 0.00 0.00 -ATOM 1005 4HB ALA X 67 33.690 -14.500 -23.860 0.00 0.00 -ATOM 1006 C ALA X 67 34.680 -11.430 -25.030 0.00 0.00 -ATOM 1007 O ALA X 67 35.860 -11.750 -25.320 0.00 0.00 -ATOM 1008 N THR X 68 34.120 -10.320 -25.540 0.00 0.00 -ATOM 1009 H THR X 68 33.090 -10.290 -25.370 0.00 0.00 -ATOM 1010 CA THR X 68 34.780 -9.360 -26.450 0.00 0.00 -ATOM 1011 HA THR X 68 35.240 -9.890 -27.310 0.00 0.00 -ATOM 1012 CB THR X 68 33.910 -8.270 -27.020 0.00 0.00 -ATOM 1013 HB THR X 68 34.390 -7.550 -27.670 0.00 0.00 -ATOM 1014 CG2 THR X 68 32.930 -8.910 -27.970 0.00 0.00 -ATOM 1015 2HG2 THR X 68 32.190 -8.120 -28.280 0.00 0.00 -ATOM 1016 3HG2 THR X 68 33.420 -9.380 -28.880 0.00 0.00 -ATOM 1017 4HG2 THR X 68 32.360 -9.600 -27.480 0.00 0.00 -ATOM 1018 OG1 THR X 68 33.210 -7.560 -26.000 0.00 0.00 -ATOM 1019 HG1 THR X 68 32.300 -7.610 -26.270 0.00 0.00 -ATOM 1020 C THR X 68 35.840 -8.700 -25.750 0.00 0.00 -ATOM 1021 O THR X 68 37.010 -8.670 -26.190 0.00 0.00 -ATOM 1022 N ASN X 69 35.640 -8.300 -24.480 0.00 0.00 -ATOM 1023 H ASN X 69 34.780 -8.470 -24.090 0.00 0.00 -ATOM 1024 CA ASN X 69 36.800 -7.850 -23.660 0.00 0.00 -ATOM 1025 HA ASN X 69 37.680 -8.270 -24.110 0.00 0.00 -ATOM 1026 CB ASN X 69 36.990 -6.290 -23.630 0.00 0.00 -ATOM 1027 2HB ASN X 69 36.160 -5.830 -23.010 0.00 0.00 -ATOM 1028 3HB ASN X 69 36.990 -5.870 -24.640 0.00 0.00 -ATOM 1029 CG ASN X 69 38.280 -5.710 -23.130 0.00 0.00 -ATOM 1030 OD1 ASN X 69 39.360 -6.310 -23.040 0.00 0.00 -ATOM 1031 ND2 ASN X 69 38.210 -4.480 -22.560 0.00 0.00 -ATOM 1032 2HD2 ASN X 69 39.000 -4.230 -21.970 0.00 0.00 -ATOM 1033 3HD2 ASN X 69 37.430 -3.930 -22.630 0.00 0.00 -ATOM 1034 C ASN X 69 36.990 -8.400 -22.220 0.00 0.00 -ATOM 1035 O ASN X 69 38.140 -8.530 -21.630 0.00 0.00 -ATOM 1036 N GLY X 70 35.840 -8.780 -21.670 0.00 0.00 -ATOM 1037 H GLY X 70 35.000 -8.700 -22.190 0.00 0.00 -ATOM 1038 CA GLY X 70 35.670 -9.360 -20.290 0.00 0.00 -ATOM 1039 2HA GLY X 70 36.620 -9.600 -19.880 0.00 0.00 -ATOM 1040 3HA GLY X 70 35.140 -10.280 -20.430 0.00 0.00 -ATOM 1041 C GLY X 70 34.890 -8.490 -19.270 0.00 0.00 -ATOM 1042 O GLY X 70 35.080 -7.280 -19.230 0.00 0.00 -ATOM 1043 N PRO X 71 33.890 -9.070 -18.540 0.00 0.00 -ATOM 1044 CA PRO X 71 33.110 -8.490 -17.470 0.00 0.00 -ATOM 1045 HA PRO X 71 32.710 -7.580 -17.890 0.00 0.00 -ATOM 1046 CB PRO X 71 32.000 -9.530 -17.200 0.00 0.00 -ATOM 1047 2HB PRO X 71 31.160 -9.350 -17.910 0.00 0.00 -ATOM 1048 3HB PRO X 71 31.620 -9.450 -16.200 0.00 0.00 -ATOM 1049 CG PRO X 71 32.730 -10.900 -17.440 0.00 0.00 -ATOM 1050 2HG PRO X 71 31.980 -11.620 -17.740 0.00 0.00 -ATOM 1051 3HG PRO X 71 33.210 -11.280 -16.480 0.00 0.00 -ATOM 1052 CD PRO X 71 33.660 -10.530 -18.540 0.00 0.00 -ATOM 1053 2HD PRO X 71 33.320 -10.720 -19.500 0.00 0.00 -ATOM 1054 3HD PRO X 71 34.610 -11.040 -18.360 0.00 0.00 -ATOM 1055 C PRO X 71 34.050 -8.090 -16.310 0.00 0.00 -ATOM 1056 O PRO X 71 35.190 -8.410 -16.240 0.00 0.00 -ATOM 1057 N LEU X 72 33.540 -7.120 -15.570 0.00 0.00 -ATOM 1058 H LEU X 72 32.530 -6.910 -15.600 0.00 0.00 -ATOM 1059 CA LEU X 72 34.380 -6.420 -14.640 0.00 0.00 -ATOM 1060 HA LEU X 72 35.310 -6.180 -15.160 0.00 0.00 -ATOM 1061 CB LEU X 72 33.660 -4.980 -14.480 0.00 0.00 -ATOM 1062 2HB LEU X 72 33.470 -4.700 -13.420 0.00 0.00 -ATOM 1063 3HB LEU X 72 32.630 -5.000 -14.840 0.00 0.00 -ATOM 1064 CG LEU X 72 34.380 -3.890 -15.320 0.00 0.00 -ATOM 1065 HG LEU X 72 35.350 -3.740 -14.810 0.00 0.00 -ATOM 1066 CD1 LEU X 72 34.420 -4.210 -16.880 0.00 0.00 -ATOM 1067 2HD1 LEU X 72 33.360 -4.490 -17.140 0.00 0.00 -ATOM 1068 3HD1 LEU X 72 34.680 -3.300 -17.390 0.00 0.00 -ATOM 1069 4HD1 LEU X 72 35.180 -4.950 -17.090 0.00 0.00 -ATOM 1070 CD2 LEU X 72 33.660 -2.560 -15.030 0.00 0.00 -ATOM 1071 2HD2 LEU X 72 32.560 -2.790 -15.190 0.00 0.00 -ATOM 1072 3HD2 LEU X 72 33.840 -2.440 -14.020 0.00 0.00 -ATOM 1073 4HD2 LEU X 72 34.050 -1.760 -15.530 0.00 0.00 -ATOM 1074 C LEU X 72 34.590 -7.200 -13.310 0.00 0.00 -ATOM 1075 O LEU X 72 34.090 -8.330 -13.110 0.00 0.00 -ATOM 1076 N LYS X 73 35.460 -6.580 -12.560 0.00 0.00 -ATOM 1077 H LYS X 73 35.900 -5.720 -12.990 0.00 0.00 -ATOM 1078 CA LYS X 73 35.730 -6.770 -11.110 0.00 0.00 -ATOM 1079 HA LYS X 73 35.190 -7.680 -10.720 0.00 0.00 -ATOM 1080 CB LYS X 73 37.260 -6.970 -10.860 0.00 0.00 -ATOM 1081 2HB LYS X 73 37.660 -6.990 -9.800 0.00 0.00 -ATOM 1082 3HB LYS X 73 37.790 -6.110 -11.240 0.00 0.00 -ATOM 1083 CG LYS X 73 37.740 -8.230 -11.620 0.00 0.00 -ATOM 1084 2HG LYS X 73 37.690 -8.100 -12.670 0.00 0.00 -ATOM 1085 3HG LYS X 73 37.150 -9.070 -11.170 0.00 0.00 -ATOM 1086 CD LYS X 73 39.150 -8.560 -11.240 0.00 0.00 -ATOM 1087 2HD LYS X 73 39.240 -8.600 -10.130 0.00 0.00 -ATOM 1088 3HD LYS X 73 39.860 -7.810 -11.730 0.00 0.00 -ATOM 1089 CE LYS X 73 39.380 -9.960 -11.910 0.00 0.00 -ATOM 1090 2HE LYS X 73 39.410 -9.850 -12.970 0.00 0.00 -ATOM 1091 3HE LYS X 73 38.540 -10.570 -11.760 0.00 0.00 -ATOM 1092 NZ LYS X 73 40.690 -10.510 -11.480 0.00 0.00 -ATOM 1093 2HZ LYS X 73 40.900 -11.300 -12.070 0.00 0.00 -ATOM 1094 3HZ LYS X 73 41.450 -9.840 -11.670 0.00 0.00 -ATOM 1095 4HZ LYS X 73 40.850 -10.960 -10.550 0.00 0.00 -ATOM 1096 C LYS X 73 35.140 -5.460 -10.420 0.00 0.00 -ATOM 1097 O LYS X 73 34.720 -4.560 -11.170 0.00 0.00 -ATOM 1098 N VAL X 74 35.020 -5.450 -9.100 0.00 0.00 -ATOM 1099 H VAL X 74 35.670 -5.970 -8.490 0.00 0.00 -ATOM 1100 CA VAL X 74 34.190 -4.590 -8.290 0.00 0.00 -ATOM 1101 HA VAL X 74 33.470 -4.010 -8.880 0.00 0.00 -ATOM 1102 CB VAL X 74 33.370 -5.280 -7.250 0.00 0.00 -ATOM 1103 HB VAL X 74 33.960 -5.910 -6.610 0.00 0.00 -ATOM 1104 CG1 VAL X 74 32.570 -4.340 -6.350 0.00 0.00 -ATOM 1105 2HG1 VAL X 74 32.250 -4.750 -5.440 0.00 0.00 -ATOM 1106 3HG1 VAL X 74 33.230 -3.520 -6.030 0.00 0.00 -ATOM 1107 4HG1 VAL X 74 31.680 -3.940 -6.860 0.00 0.00 -ATOM 1108 CG2 VAL X 74 32.250 -6.180 -7.880 0.00 0.00 -ATOM 1109 2HG2 VAL X 74 31.530 -5.590 -8.430 0.00 0.00 -ATOM 1110 3HG2 VAL X 74 32.680 -6.920 -8.550 0.00 0.00 -ATOM 1111 4HG2 VAL X 74 31.730 -6.860 -7.170 0.00 0.00 -ATOM 1112 C VAL X 74 35.180 -3.460 -7.780 0.00 0.00 -ATOM 1113 O VAL X 74 35.730 -3.560 -6.640 0.00 0.00 -ATOM 1114 N GLY X 75 35.550 -2.540 -8.640 0.00 0.00 -ATOM 1115 H GLY X 75 35.070 -2.560 -9.550 0.00 0.00 -ATOM 1116 CA GLY X 75 36.900 -2.040 -8.690 0.00 0.00 -ATOM 1117 2HA GLY X 75 37.650 -2.770 -8.650 0.00 0.00 -ATOM 1118 3HA GLY X 75 37.110 -1.210 -7.980 0.00 0.00 -ATOM 1119 C GLY X 75 37.190 -1.420 -10.090 0.00 0.00 -ATOM 1120 O GLY X 75 38.400 -1.350 -10.430 0.00 0.00 -ATOM 1121 N GLY X 76 36.180 -1.160 -10.970 0.00 0.00 -ATOM 1122 H GLY X 76 35.230 -1.300 -10.620 0.00 0.00 -ATOM 1123 CA GLY X 76 36.420 -0.720 -12.320 0.00 0.00 -ATOM 1124 2HA GLY X 76 36.740 -1.570 -12.940 0.00 0.00 -ATOM 1125 3HA GLY X 76 37.300 -0.110 -12.280 0.00 0.00 -ATOM 1126 C GLY X 76 35.320 0.050 -13.090 0.00 0.00 -ATOM 1127 O GLY X 76 34.210 0.330 -12.590 0.00 0.00 -ATOM 1128 N SER X 77 35.670 0.290 -14.340 0.00 0.00 -ATOM 1129 H SER X 77 36.630 0.060 -14.550 0.00 0.00 -ATOM 1130 CA SER X 77 34.920 1.030 -15.400 0.00 0.00 -ATOM 1131 HA SER X 77 33.920 0.640 -15.380 0.00 0.00 -ATOM 1132 CB SER X 77 34.930 2.540 -15.070 0.00 0.00 -ATOM 1133 2HB SER X 77 34.600 2.690 -14.070 0.00 0.00 -ATOM 1134 3HB SER X 77 34.170 3.150 -15.630 0.00 0.00 -ATOM 1135 OG SER X 77 36.310 3.010 -15.190 0.00 0.00 -ATOM 1136 HG SER X 77 36.710 3.110 -14.300 0.00 0.00 -ATOM 1137 C SER X 77 35.360 0.700 -16.830 0.00 0.00 -ATOM 1138 O SER X 77 36.210 -0.090 -17.110 0.00 0.00 -ATOM 1139 N CYS X 78 34.590 1.120 -17.840 0.00 0.00 -ATOM 1140 H CYS X 78 33.670 1.390 -17.540 0.00 0.00 -ATOM 1141 CA CYS X 78 34.860 1.000 -19.310 0.00 0.00 -ATOM 1142 HA CYS X 78 35.950 1.060 -19.550 0.00 0.00 -ATOM 1143 CB CYS X 78 34.380 -0.400 -19.980 0.00 0.00 -ATOM 1144 2HB CYS X 78 35.120 -1.210 -19.710 0.00 0.00 -ATOM 1145 3HB CYS X 78 34.470 -0.220 -21.040 0.00 0.00 -ATOM 1146 SG CYS X 78 32.680 -0.800 -19.580 0.00 0.00 -ATOM 1147 HG CYS X 78 32.410 0.260 -18.820 0.00 0.00 -ATOM 1148 C CYS X 78 34.100 2.190 -20.030 0.00 0.00 -ATOM 1149 O CYS X 78 32.960 2.540 -19.740 0.00 0.00 -ATOM 1150 N VAL X 79 34.820 2.790 -20.950 0.00 0.00 -ATOM 1151 H VAL X 79 35.850 2.790 -20.830 0.00 0.00 -ATOM 1152 CA VAL X 79 34.260 3.750 -21.940 0.00 0.00 -ATOM 1153 HA VAL X 79 33.490 4.360 -21.520 0.00 0.00 -ATOM 1154 CB VAL X 79 35.390 4.640 -22.410 0.00 0.00 -ATOM 1155 HB VAL X 79 35.040 5.260 -23.150 0.00 0.00 -ATOM 1156 CG1 VAL X 79 35.930 5.570 -21.270 0.00 0.00 -ATOM 1157 2HG1 VAL X 79 36.560 4.960 -20.600 0.00 0.00 -ATOM 1158 3HG1 VAL X 79 36.540 6.370 -21.700 0.00 0.00 -ATOM 1159 4HG1 VAL X 79 35.030 5.960 -20.790 0.00 0.00 -ATOM 1160 CG2 VAL X 79 36.600 4.000 -23.010 0.00 0.00 -ATOM 1161 2HG2 VAL X 79 36.820 3.080 -22.580 0.00 0.00 -ATOM 1162 3HG2 VAL X 79 36.490 3.960 -24.100 0.00 0.00 -ATOM 1163 4HG2 VAL X 79 37.490 4.700 -22.930 0.00 0.00 -ATOM 1164 C VAL X 79 33.560 3.090 -23.090 0.00 0.00 -ATOM 1165 O VAL X 79 33.790 3.190 -24.320 0.00 0.00 -ATOM 1166 N LEU X 80 32.810 2.130 -22.630 0.00 0.00 -ATOM 1167 H LEU X 80 32.580 2.140 -21.640 0.00 0.00 -ATOM 1168 CA LEU X 80 31.770 1.420 -23.420 0.00 0.00 -ATOM 1169 HA LEU X 80 32.260 0.970 -24.310 0.00 0.00 -ATOM 1170 CB LEU X 80 31.270 0.240 -22.560 0.00 0.00 -ATOM 1171 2HB LEU X 80 30.660 0.750 -21.800 0.00 0.00 -ATOM 1172 3HB LEU X 80 32.210 -0.110 -22.190 0.00 0.00 -ATOM 1173 CG LEU X 80 30.420 -0.870 -23.160 0.00 0.00 -ATOM 1174 HG LEU X 80 29.510 -0.540 -23.580 0.00 0.00 -ATOM 1175 CD1 LEU X 80 31.010 -1.730 -24.210 0.00 0.00 -ATOM 1176 2HD1 LEU X 80 30.590 -2.730 -24.420 0.00 0.00 -ATOM 1177 3HD1 LEU X 80 31.150 -1.090 -25.130 0.00 0.00 -ATOM 1178 4HD1 LEU X 80 32.060 -1.950 -23.950 0.00 0.00 -ATOM 1179 CD2 LEU X 80 29.950 -1.720 -21.990 0.00 0.00 -ATOM 1180 2HD2 LEU X 80 29.630 -2.620 -22.360 0.00 0.00 -ATOM 1181 3HD2 LEU X 80 30.700 -1.780 -21.240 0.00 0.00 -ATOM 1182 4HD2 LEU X 80 29.060 -1.180 -21.550 0.00 0.00 -ATOM 1183 C LEU X 80 30.600 2.370 -23.870 0.00 0.00 -ATOM 1184 O LEU X 80 30.580 3.490 -23.420 0.00 0.00 -ATOM 1185 N SER X 81 29.830 2.000 -24.890 0.00 0.00 -ATOM 1186 H SER X 81 30.100 1.110 -25.300 0.00 0.00 -ATOM 1187 CA SER X 81 28.980 2.790 -25.740 0.00 0.00 -ATOM 1188 HA SER X 81 29.450 3.570 -26.340 0.00 0.00 -ATOM 1189 CB SER X 81 28.350 1.810 -26.780 0.00 0.00 -ATOM 1190 2HB SER X 81 27.510 2.160 -27.350 0.00 0.00 -ATOM 1191 3HB SER X 81 27.980 0.840 -26.340 0.00 0.00 -ATOM 1192 OG SER X 81 29.370 1.340 -27.650 0.00 0.00 -ATOM 1193 HG SER X 81 29.330 0.310 -27.810 0.00 0.00 -ATOM 1194 C SER X 81 27.800 3.580 -25.120 0.00 0.00 -ATOM 1195 O SER X 81 27.360 3.220 -24.030 0.00 0.00 -ATOM 1196 N GLY X 82 27.150 4.540 -25.840 0.00 0.00 -ATOM 1197 H GLY X 82 27.600 4.850 -26.630 0.00 0.00 -ATOM 1198 CA GLY X 82 25.840 5.010 -25.540 0.00 0.00 -ATOM 1199 2HA GLY X 82 25.910 5.910 -24.950 0.00 0.00 -ATOM 1200 3HA GLY X 82 25.300 4.270 -24.930 0.00 0.00 -ATOM 1201 C GLY X 82 24.900 5.390 -26.710 0.00 0.00 -ATOM 1202 O GLY X 82 24.480 6.570 -26.680 0.00 0.00 -ATOM 1203 N HID X 83 24.490 4.580 -27.700 0.00 0.00 -ATOM 1204 H HID X 83 24.570 3.540 -27.560 0.00 0.00 -ATOM 1205 CA HID X 83 24.000 4.970 -29.070 0.00 0.00 -ATOM 1206 HA HID X 83 24.790 5.390 -29.640 0.00 0.00 -ATOM 1207 CB HID X 83 23.490 3.760 -29.870 0.00 0.00 -ATOM 1208 2HB HID X 83 24.370 3.150 -29.870 0.00 0.00 -ATOM 1209 3HB HID X 83 23.140 4.130 -30.800 0.00 0.00 -ATOM 1210 CG HID X 83 22.250 3.000 -29.340 0.00 0.00 -ATOM 1211 ND1 HID X 83 22.220 1.730 -28.760 0.00 0.00 -ATOM 1212 HD1 HID X 83 22.830 1.000 -29.070 0.00 0.00 -ATOM 1213 CE1 HID X 83 20.930 1.450 -28.360 0.00 0.00 -ATOM 1214 HE1 HID X 83 20.500 0.480 -28.280 0.00 0.00 -ATOM 1215 NE2 HID X 83 20.170 2.490 -28.590 0.00 0.00 -ATOM 1216 CD2 HID X 83 21.010 3.520 -29.170 0.00 0.00 -ATOM 1217 HD2 HID X 83 20.660 4.510 -29.520 0.00 0.00 -ATOM 1218 C HID X 83 22.980 6.150 -29.230 0.00 0.00 -ATOM 1219 O HID X 83 22.760 6.560 -30.360 0.00 0.00 -ATOM 1220 N ASN X 84 22.300 6.610 -28.170 0.00 0.00 -ATOM 1221 H ASN X 84 22.480 6.220 -27.260 0.00 0.00 -ATOM 1222 CA ASN X 84 21.470 7.850 -28.260 0.00 0.00 -ATOM 1223 HA ASN X 84 21.710 8.330 -29.150 0.00 0.00 -ATOM 1224 CB ASN X 84 20.040 7.310 -28.570 0.00 0.00 -ATOM 1225 2HB ASN X 84 20.090 6.420 -29.210 0.00 0.00 -ATOM 1226 3HB ASN X 84 19.500 8.110 -29.080 0.00 0.00 -ATOM 1227 CG ASN X 84 19.380 6.990 -27.250 0.00 0.00 -ATOM 1228 OD1 ASN X 84 19.710 6.030 -26.510 0.00 0.00 -ATOM 1229 ND2 ASN X 84 18.320 7.680 -26.930 0.00 0.00 -ATOM 1230 2HD2 ASN X 84 17.830 7.370 -26.110 0.00 0.00 -ATOM 1231 3HD2 ASN X 84 17.900 8.380 -27.490 0.00 0.00 -ATOM 1232 C ASN X 84 21.600 8.880 -27.120 0.00 0.00 -ATOM 1233 O ASN X 84 20.710 9.770 -26.970 0.00 0.00 -ATOM 1234 N LEU X 85 22.430 8.550 -26.130 0.00 0.00 -ATOM 1235 H LEU X 85 23.190 7.850 -26.260 0.00 0.00 -ATOM 1236 CA LEU X 85 22.350 9.200 -24.830 0.00 0.00 -ATOM 1237 HA LEU X 85 21.280 9.300 -24.400 0.00 0.00 -ATOM 1238 CB LEU X 85 23.040 8.270 -23.800 0.00 0.00 -ATOM 1239 2HB LEU X 85 22.580 8.550 -22.820 0.00 0.00 -ATOM 1240 3HB LEU X 85 24.140 8.400 -23.750 0.00 0.00 -ATOM 1241 CG LEU X 85 22.840 6.780 -23.820 0.00 0.00 -ATOM 1242 HG LEU X 85 22.960 6.310 -24.790 0.00 0.00 -ATOM 1243 CD1 LEU X 85 23.940 6.170 -22.940 0.00 0.00 -ATOM 1244 2HD1 LEU X 85 23.790 5.090 -22.770 0.00 0.00 -ATOM 1245 3HD1 LEU X 85 24.910 6.420 -23.270 0.00 0.00 -ATOM 1246 4HD1 LEU X 85 23.970 6.680 -21.960 0.00 0.00 -ATOM 1247 CD2 LEU X 85 21.390 6.460 -23.390 0.00 0.00 -ATOM 1248 2HD2 LEU X 85 21.280 5.360 -23.380 0.00 0.00 -ATOM 1249 3HD2 LEU X 85 21.230 6.780 -22.390 0.00 0.00 -ATOM 1250 4HD2 LEU X 85 20.660 6.820 -24.150 0.00 0.00 -ATOM 1251 C LEU X 85 23.000 10.690 -24.800 0.00 0.00 -ATOM 1252 O LEU X 85 22.590 11.540 -24.000 0.00 0.00 -ATOM 1253 N ALA X 86 24.140 10.950 -25.460 0.00 0.00 -ATOM 1254 H ALA X 86 24.340 10.390 -26.240 0.00 0.00 -ATOM 1255 CA ALA X 86 25.220 11.890 -25.070 0.00 0.00 -ATOM 1256 HA ALA X 86 24.880 12.890 -24.810 0.00 0.00 -ATOM 1257 CB ALA X 86 25.880 11.310 -23.820 0.00 0.00 -ATOM 1258 2HB ALA X 86 26.830 11.710 -23.670 0.00 0.00 -ATOM 1259 3HB ALA X 86 25.350 11.550 -22.900 0.00 0.00 -ATOM 1260 4HB ALA X 86 26.020 10.200 -23.800 0.00 0.00 -ATOM 1261 C ALA X 86 26.340 11.920 -26.180 0.00 0.00 -ATOM 1262 O ALA X 86 26.090 11.200 -27.190 0.00 0.00 -ATOM 1263 N LYS X 87 27.440 12.730 -26.130 0.00 0.00 -ATOM 1264 H LYS X 87 27.410 13.520 -25.470 0.00 0.00 -ATOM 1265 CA LYS X 87 28.600 12.650 -27.110 0.00 0.00 -ATOM 1266 HA LYS X 87 28.160 12.630 -28.130 0.00 0.00 -ATOM 1267 CB LYS X 87 29.500 13.940 -27.120 0.00 0.00 -ATOM 1268 2HB LYS X 87 30.510 13.510 -27.400 0.00 0.00 -ATOM 1269 3HB LYS X 87 29.720 14.330 -26.160 0.00 0.00 -ATOM 1270 CG LYS X 87 29.170 14.940 -28.180 0.00 0.00 -ATOM 1271 2HG LYS X 87 28.220 15.430 -27.840 0.00 0.00 -ATOM 1272 3HG LYS X 87 28.950 14.510 -29.160 0.00 0.00 -ATOM 1273 CD LYS X 87 30.260 15.980 -28.240 0.00 0.00 -ATOM 1274 2HD LYS X 87 31.270 15.520 -28.290 0.00 0.00 -ATOM 1275 3HD LYS X 87 30.310 16.470 -27.280 0.00 0.00 -ATOM 1276 CE LYS X 87 30.150 17.050 -29.340 0.00 0.00 -ATOM 1277 2HE LYS X 87 29.510 17.790 -28.990 0.00 0.00 -ATOM 1278 3HE LYS X 87 29.780 16.620 -30.220 0.00 0.00 -ATOM 1279 NZ LYS X 87 31.430 17.650 -29.590 0.00 0.00 -ATOM 1280 2HZ LYS X 87 31.400 18.450 -30.170 0.00 0.00 -ATOM 1281 3HZ LYS X 87 31.930 17.940 -28.710 0.00 0.00 -ATOM 1282 4HZ LYS X 87 32.040 17.080 -30.180 0.00 0.00 -ATOM 1283 C LYS X 87 29.370 11.320 -27.010 0.00 0.00 -ATOM 1284 O LYS X 87 29.340 10.610 -28.010 0.00 0.00 -ATOM 1285 N HIE X 88 29.580 10.850 -25.830 0.00 0.00 -ATOM 1286 H HIE X 88 29.260 11.500 -25.060 0.00 0.00 -ATOM 1287 CA HIE X 88 29.870 9.460 -25.600 0.00 0.00 -ATOM 1288 HA HIE X 88 29.330 8.910 -26.370 0.00 0.00 -ATOM 1289 CB HIE X 88 31.400 9.310 -25.750 0.00 0.00 -ATOM 1290 2HB HIE X 88 31.940 9.800 -24.950 0.00 0.00 -ATOM 1291 3HB HIE X 88 31.780 9.820 -26.640 0.00 0.00 -ATOM 1292 CG HIE X 88 31.790 7.890 -25.820 0.00 0.00 -ATOM 1293 ND1 HIE X 88 30.930 6.920 -26.230 0.00 0.00 -ATOM 1294 CE1 HIE X 88 31.500 5.750 -25.860 0.00 0.00 -ATOM 1295 HE1 HIE X 88 31.000 4.800 -26.160 0.00 0.00 -ATOM 1296 NE2 HIE X 88 32.770 5.960 -25.420 0.00 0.00 -ATOM 1297 HE2 HIE X 88 33.450 5.300 -25.090 0.00 0.00 -ATOM 1298 CD2 HIE X 88 32.940 7.310 -25.280 0.00 0.00 -ATOM 1299 HD2 HIE X 88 33.760 7.900 -24.910 0.00 0.00 -ATOM 1300 C HIE X 88 29.480 9.070 -24.170 0.00 0.00 -ATOM 1301 O HIE X 88 28.710 9.810 -23.590 0.00 0.00 -ATOM 1302 N CYS X 89 29.860 7.870 -23.680 0.00 0.00 -ATOM 1303 H CYS X 89 30.540 7.250 -24.230 0.00 0.00 -ATOM 1304 CA CYS X 89 29.490 7.270 -22.370 0.00 0.00 -ATOM 1305 HA CYS X 89 29.030 8.020 -21.790 0.00 0.00 -ATOM 1306 CB CYS X 89 28.420 6.110 -22.600 0.00 0.00 -ATOM 1307 2HB CYS X 89 28.940 5.200 -22.750 0.00 0.00 -ATOM 1308 3HB CYS X 89 27.740 6.330 -23.410 0.00 0.00 -ATOM 1309 SG CYS X 89 27.400 6.090 -21.050 0.00 0.00 -ATOM 1310 HG CYS X 89 27.150 7.360 -21.020 0.00 0.00 -ATOM 1311 C CYS X 89 30.740 6.800 -21.470 0.00 0.00 -ATOM 1312 O CYS X 89 31.840 6.690 -21.980 0.00 0.00 -ATOM 1313 N LEU X 90 30.450 6.580 -20.220 0.00 0.00 -ATOM 1314 H LEU X 90 29.500 6.770 -20.000 0.00 0.00 -ATOM 1315 CA LEU X 90 31.310 5.950 -19.160 0.00 0.00 -ATOM 1316 HA LEU X 90 32.040 5.310 -19.640 0.00 0.00 -ATOM 1317 CB LEU X 90 31.960 7.070 -18.390 0.00 0.00 -ATOM 1318 2HB LEU X 90 31.160 7.620 -17.880 0.00 0.00 -ATOM 1319 3HB LEU X 90 32.400 7.780 -19.000 0.00 0.00 -ATOM 1320 CG LEU X 90 32.960 6.660 -17.290 0.00 0.00 -ATOM 1321 HG LEU X 90 32.490 6.080 -16.520 0.00 0.00 -ATOM 1322 CD1 LEU X 90 34.140 6.000 -17.910 0.00 0.00 -ATOM 1323 2HD1 LEU X 90 33.700 5.030 -18.420 0.00 0.00 -ATOM 1324 3HD1 LEU X 90 34.670 6.650 -18.640 0.00 0.00 -ATOM 1325 4HD1 LEU X 90 34.820 5.830 -17.090 0.00 0.00 -ATOM 1326 CD2 LEU X 90 33.440 7.930 -16.560 0.00 0.00 -ATOM 1327 2HD2 LEU X 90 33.600 8.650 -17.330 0.00 0.00 -ATOM 1328 3HD2 LEU X 90 32.630 8.190 -15.860 0.00 0.00 -ATOM 1329 4HD2 LEU X 90 34.360 7.730 -15.970 0.00 0.00 -ATOM 1330 C LEU X 90 30.490 4.980 -18.260 0.00 0.00 -ATOM 1331 O LEU X 90 29.350 5.260 -17.990 0.00 0.00 -ATOM 1332 N HIE X 91 30.960 3.800 -17.900 0.00 0.00 -ATOM 1333 H HIE X 91 31.920 3.600 -18.230 0.00 0.00 -ATOM 1334 CA HIE X 91 30.240 2.670 -17.290 0.00 0.00 -ATOM 1335 HA HIE X 91 29.230 2.940 -17.040 0.00 0.00 -ATOM 1336 CB HIE X 91 30.050 1.580 -18.400 0.00 0.00 -ATOM 1337 2HB HIE X 91 29.740 0.680 -17.920 0.00 0.00 -ATOM 1338 3HB HIE X 91 31.000 1.440 -18.900 0.00 0.00 -ATOM 1339 CG HIE X 91 29.010 1.740 -19.490 0.00 0.00 -ATOM 1340 ND1 HIE X 91 27.830 1.040 -19.550 0.00 0.00 -ATOM 1341 CE1 HIE X 91 27.280 1.350 -20.820 0.00 0.00 -ATOM 1342 HE1 HIE X 91 26.470 0.780 -21.230 0.00 0.00 -ATOM 1343 NE2 HIE X 91 28.100 2.180 -21.450 0.00 0.00 -ATOM 1344 HE2 HIE X 91 28.030 2.510 -22.400 0.00 0.00 -ATOM 1345 CD2 HIE X 91 29.170 2.500 -20.620 0.00 0.00 -ATOM 1346 HD2 HIE X 91 29.980 3.220 -20.880 0.00 0.00 -ATOM 1347 C HIE X 91 31.020 2.160 -16.100 0.00 0.00 -ATOM 1348 O HIE X 91 32.160 1.820 -16.370 0.00 0.00 -ATOM 1349 N VAL X 92 30.440 2.030 -14.890 0.00 0.00 -ATOM 1350 H VAL X 92 29.490 2.280 -14.890 0.00 0.00 -ATOM 1351 CA VAL X 92 31.170 1.880 -13.570 0.00 0.00 -ATOM 1352 HA VAL X 92 32.280 1.760 -13.770 0.00 0.00 -ATOM 1353 CB VAL X 92 31.210 3.260 -12.840 0.00 0.00 -ATOM 1354 HB VAL X 92 30.170 3.500 -12.600 0.00 0.00 -ATOM 1355 CG1 VAL X 92 32.060 3.170 -11.570 0.00 0.00 -ATOM 1356 2HG1 VAL X 92 32.420 4.170 -11.340 0.00 0.00 -ATOM 1357 3HG1 VAL X 92 31.470 2.660 -10.780 0.00 0.00 -ATOM 1358 4HG1 VAL X 92 32.970 2.550 -11.710 0.00 0.00 -ATOM 1359 CG2 VAL X 92 31.900 4.260 -13.810 0.00 0.00 -ATOM 1360 2HG2 VAL X 92 31.080 4.870 -14.260 0.00 0.00 -ATOM 1361 3HG2 VAL X 92 32.510 4.960 -13.340 0.00 0.00 -ATOM 1362 4HG2 VAL X 92 32.530 3.820 -14.590 0.00 0.00 -ATOM 1363 C VAL X 92 30.570 0.660 -12.760 0.00 0.00 -ATOM 1364 O VAL X 92 29.410 0.670 -12.320 0.00 0.00 -ATOM 1365 N VAL X 93 31.490 -0.190 -12.260 0.00 0.00 -ATOM 1366 H VAL X 93 32.460 -0.050 -12.470 0.00 0.00 -ATOM 1367 CA VAL X 93 31.390 -1.220 -11.230 0.00 0.00 -ATOM 1368 HA VAL X 93 30.430 -1.180 -10.730 0.00 0.00 -ATOM 1369 CB VAL X 93 31.520 -2.620 -11.910 0.00 0.00 -ATOM 1370 HB VAL X 93 32.480 -2.790 -12.360 0.00 0.00 -ATOM 1371 CG1 VAL X 93 31.180 -3.820 -10.980 0.00 0.00 -ATOM 1372 2HG1 VAL X 93 30.330 -3.520 -10.320 0.00 0.00 -ATOM 1373 3HG1 VAL X 93 30.820 -4.710 -11.450 0.00 0.00 -ATOM 1374 4HG1 VAL X 93 32.060 -4.000 -10.460 0.00 0.00 -ATOM 1375 CG2 VAL X 93 30.480 -2.630 -13.040 0.00 0.00 -ATOM 1376 2HG2 VAL X 93 30.410 -3.650 -13.340 0.00 0.00 -ATOM 1377 3HG2 VAL X 93 29.550 -2.390 -12.640 0.00 0.00 -ATOM 1378 4HG2 VAL X 93 30.770 -1.990 -13.860 0.00 0.00 -ATOM 1379 C VAL X 93 32.330 -0.910 -10.000 0.00 0.00 -ATOM 1380 O VAL X 93 33.370 -1.500 -9.770 0.00 0.00 -ATOM 1381 N GLY X 94 31.850 0.050 -9.230 0.00 0.00 -ATOM 1382 H GLY X 94 30.880 0.350 -9.340 0.00 0.00 -ATOM 1383 CA GLY X 94 32.500 0.780 -8.170 0.00 0.00 -ATOM 1384 2HA GLY X 94 31.750 1.210 -7.440 0.00 0.00 -ATOM 1385 3HA GLY X 94 33.070 1.570 -8.640 0.00 0.00 -ATOM 1386 C GLY X 94 33.340 -0.180 -7.350 0.00 0.00 -ATOM 1387 O GLY X 94 32.970 -1.250 -6.920 0.00 0.00 -ATOM 1388 N PRO X 95 34.550 0.300 -6.980 0.00 0.00 -ATOM 1389 CA PRO X 95 35.160 -0.120 -5.790 0.00 0.00 -ATOM 1390 HA PRO X 95 35.570 -1.110 -5.930 0.00 0.00 -ATOM 1391 CB PRO X 95 36.280 0.940 -5.640 0.00 0.00 -ATOM 1392 2HB PRO X 95 37.180 0.630 -5.110 0.00 0.00 -ATOM 1393 3HB PRO X 95 35.850 1.840 -5.120 0.00 0.00 -ATOM 1394 CG PRO X 95 36.700 1.390 -6.980 0.00 0.00 -ATOM 1395 2HG PRO X 95 37.430 0.640 -7.380 0.00 0.00 -ATOM 1396 3HG PRO X 95 36.990 2.450 -6.990 0.00 0.00 -ATOM 1397 CD PRO X 95 35.390 1.330 -7.680 0.00 0.00 -ATOM 1398 2HD PRO X 95 35.600 1.020 -8.730 0.00 0.00 -ATOM 1399 3HD PRO X 95 34.870 2.320 -7.560 0.00 0.00 -ATOM 1400 C PRO X 95 34.250 -0.120 -4.530 0.00 0.00 -ATOM 1401 O PRO X 95 33.410 0.770 -4.400 0.00 0.00 -ATOM 1402 N ASN X 96 34.490 -1.080 -3.570 0.00 0.00 -ATOM 1403 H ASN X 96 35.210 -1.710 -3.850 0.00 0.00 -ATOM 1404 CA ASN X 96 33.920 -1.310 -2.180 0.00 0.00 -ATOM 1405 HA ASN X 96 32.960 -0.950 -2.070 0.00 0.00 -ATOM 1406 CB ASN X 96 33.930 -2.860 -2.140 0.00 0.00 -ATOM 1407 2HB ASN X 96 34.800 -3.290 -2.510 0.00 0.00 -ATOM 1408 3HB ASN X 96 33.010 -3.270 -2.520 0.00 0.00 -ATOM 1409 CG ASN X 96 34.060 -3.440 -0.750 0.00 0.00 -ATOM 1410 OD1 ASN X 96 35.140 -3.750 -0.340 0.00 0.00 -ATOM 1411 ND2 ASN X 96 33.000 -3.810 -0.130 0.00 0.00 -ATOM 1412 2HD2 ASN X 96 33.160 -4.390 0.680 0.00 0.00 -ATOM 1413 3HD2 ASN X 96 32.060 -3.820 -0.550 0.00 0.00 -ATOM 1414 C ASN X 96 34.840 -0.670 -1.150 0.00 0.00 -ATOM 1415 O ASN X 96 36.040 -1.030 -1.130 0.00 0.00 -ATOM 1416 N VAL X 97 34.350 0.190 -0.330 0.00 0.00 -ATOM 1417 H VAL X 97 33.350 0.180 -0.180 0.00 0.00 -ATOM 1418 CA VAL X 97 35.200 1.150 0.340 0.00 0.00 -ATOM 1419 HA VAL X 97 36.170 0.760 0.360 0.00 0.00 -ATOM 1420 CB VAL X 97 35.340 2.550 -0.310 0.00 0.00 -ATOM 1421 HB VAL X 97 35.980 3.180 0.330 0.00 0.00 -ATOM 1422 CG1 VAL X 97 36.020 2.470 -1.700 0.00 0.00 -ATOM 1423 2HG1 VAL X 97 36.860 1.730 -1.640 0.00 0.00 -ATOM 1424 3HG1 VAL X 97 35.320 2.010 -2.340 0.00 0.00 -ATOM 1425 4HG1 VAL X 97 36.320 3.440 -2.090 0.00 0.00 -ATOM 1426 CG2 VAL X 97 34.030 3.170 -0.530 0.00 0.00 -ATOM 1427 2HG2 VAL X 97 33.450 2.540 -1.190 0.00 0.00 -ATOM 1428 3HG2 VAL X 97 33.580 3.220 0.410 0.00 0.00 -ATOM 1429 4HG2 VAL X 97 34.190 4.130 -0.970 0.00 0.00 -ATOM 1430 C VAL X 97 34.850 1.380 1.760 0.00 0.00 -ATOM 1431 O VAL X 97 35.810 1.860 2.470 0.00 0.00 -ATOM 1432 N ASN X 98 33.610 1.060 2.200 0.00 0.00 -ATOM 1433 H ASN X 98 32.900 0.810 1.560 0.00 0.00 -ATOM 1434 CA ASN X 98 33.100 1.290 3.560 0.00 0.00 -ATOM 1435 HA ASN X 98 33.880 1.680 4.140 0.00 0.00 -ATOM 1436 CB ASN X 98 32.000 2.340 3.550 0.00 0.00 -ATOM 1437 2HB ASN X 98 31.690 2.520 4.550 0.00 0.00 -ATOM 1438 3HB ASN X 98 31.070 1.930 3.180 0.00 0.00 -ATOM 1439 CG ASN X 98 32.270 3.680 2.860 0.00 0.00 -ATOM 1440 OD1 ASN X 98 31.370 4.340 2.410 0.00 0.00 -ATOM 1441 ND2 ASN X 98 33.480 4.180 2.860 0.00 0.00 -ATOM 1442 2HD2 ASN X 98 33.430 5.120 2.570 0.00 0.00 -ATOM 1443 3HD2 ASN X 98 34.260 3.910 3.420 0.00 0.00 -ATOM 1444 C ASN X 98 32.490 0.030 4.250 0.00 0.00 -ATOM 1445 O ASN X 98 31.630 0.120 5.170 0.00 0.00 -ATOM 1446 N LYS X 99 33.080 -1.100 3.930 0.00 0.00 -ATOM 1447 H LYS X 99 33.980 -1.060 3.510 0.00 0.00 -ATOM 1448 CA LYS X 99 32.820 -2.470 4.510 0.00 0.00 -ATOM 1449 HA LYS X 99 32.160 -2.360 5.360 0.00 0.00 -ATOM 1450 CB LYS X 99 31.970 -3.360 3.570 0.00 0.00 -ATOM 1451 2HB LYS X 99 31.690 -4.200 4.160 0.00 0.00 -ATOM 1452 3HB LYS X 99 32.510 -3.520 2.640 0.00 0.00 -ATOM 1453 CG LYS X 99 30.690 -2.630 3.100 0.00 0.00 -ATOM 1454 2HG LYS X 99 30.890 -1.870 2.380 0.00 0.00 -ATOM 1455 3HG LYS X 99 30.220 -2.210 3.890 0.00 0.00 -ATOM 1456 CD LYS X 99 29.670 -3.570 2.480 0.00 0.00 -ATOM 1457 2HD LYS X 99 29.600 -4.610 3.000 0.00 0.00 -ATOM 1458 3HD LYS X 99 29.910 -3.750 1.450 0.00 0.00 -ATOM 1459 CE LYS X 99 28.270 -3.040 2.360 0.00 0.00 -ATOM 1460 2HE LYS X 99 27.670 -3.820 1.850 0.00 0.00 -ATOM 1461 3HE LYS X 99 28.320 -2.160 1.800 0.00 0.00 -ATOM 1462 NZ LYS X 99 27.630 -2.640 3.660 0.00 0.00 -ATOM 1463 2HZ LYS X 99 26.910 -1.990 3.360 0.00 0.00 -ATOM 1464 3HZ LYS X 99 27.320 -3.440 4.240 0.00 0.00 -ATOM 1465 4HZ LYS X 99 28.200 -2.010 4.320 0.00 0.00 -ATOM 1466 C LYS X 99 34.030 -3.160 5.120 0.00 0.00 -ATOM 1467 O LYS X 99 33.890 -3.870 6.130 0.00 0.00 -ATOM 1468 N GLY X 100 35.190 -2.820 4.560 0.00 0.00 -ATOM 1469 H GLY X 100 35.220 -2.270 3.770 0.00 0.00 -ATOM 1470 CA GLY X 100 36.490 -3.310 5.110 0.00 0.00 -ATOM 1471 2HA GLY X 100 36.620 -4.290 5.040 0.00 0.00 -ATOM 1472 3HA GLY X 100 36.470 -3.110 6.180 0.00 0.00 -ATOM 1473 C GLY X 100 37.760 -2.600 4.530 0.00 0.00 -ATOM 1474 O GLY X 100 38.910 -3.100 4.520 0.00 0.00 -ATOM 1475 N GLU X 101 37.560 -1.430 3.990 0.00 0.00 -ATOM 1476 H GLU X 101 36.590 -1.140 4.180 0.00 0.00 -ATOM 1477 CA GLU X 101 38.570 -0.690 3.160 0.00 0.00 -ATOM 1478 HA GLU X 101 39.550 -1.090 3.350 0.00 0.00 -ATOM 1479 CB GLU X 101 38.260 -0.890 1.690 0.00 0.00 -ATOM 1480 2HB GLU X 101 38.970 -0.270 1.130 0.00 0.00 -ATOM 1481 3HB GLU X 101 37.250 -0.500 1.510 0.00 0.00 -ATOM 1482 CG GLU X 101 38.440 -2.380 1.210 0.00 0.00 -ATOM 1483 2HG GLU X 101 38.290 -2.370 0.140 0.00 0.00 -ATOM 1484 3HG GLU X 101 37.570 -2.990 1.610 0.00 0.00 -ATOM 1485 CD GLU X 101 39.780 -2.910 1.660 0.00 0.00 -ATOM 1486 OE1 GLU X 101 40.850 -2.260 1.540 0.00 0.00 -ATOM 1487 OE2 GLU X 101 39.920 -4.100 2.130 0.00 0.00 -ATOM 1488 C GLU X 101 38.560 0.810 3.490 0.00 0.00 -ATOM 1489 O GLU X 101 38.450 1.100 4.740 0.00 0.00 -ATOM 1490 N ASP X 102 38.660 1.740 2.500 0.00 0.00 -ATOM 1491 H ASP X 102 38.820 1.370 1.600 0.00 0.00 -ATOM 1492 CA ASP X 102 38.960 3.200 2.740 0.00 0.00 -ATOM 1493 HA ASP X 102 38.500 3.390 3.650 0.00 0.00 -ATOM 1494 CB ASP X 102 40.460 3.270 2.920 0.00 0.00 -ATOM 1495 2HB ASP X 102 40.880 2.790 2.110 0.00 0.00 -ATOM 1496 3HB ASP X 102 40.710 2.630 3.760 0.00 0.00 -ATOM 1497 CG ASP X 102 41.090 4.630 3.110 0.00 0.00 -ATOM 1498 OD1 ASP X 102 40.400 5.650 3.400 0.00 0.00 -ATOM 1499 OD2 ASP X 102 42.330 4.670 2.990 0.00 0.00 -ATOM 1500 C ASP X 102 38.310 4.080 1.610 0.00 0.00 -ATOM 1501 O ASP X 102 38.440 3.870 0.420 0.00 0.00 -ATOM 1502 N ILE X 103 37.490 5.020 2.110 0.00 0.00 -ATOM 1503 H ILE X 103 37.290 5.060 3.130 0.00 0.00 -ATOM 1504 CA ILE X 103 36.630 5.830 1.240 0.00 0.00 -ATOM 1505 HA ILE X 103 35.940 5.100 0.790 0.00 0.00 -ATOM 1506 CB ILE X 103 35.800 6.920 1.930 0.00 0.00 -ATOM 1507 HB ILE X 103 35.320 6.490 2.770 0.00 0.00 -ATOM 1508 CG2 ILE X 103 36.690 8.010 2.540 0.00 0.00 -ATOM 1509 2HG2 ILE X 103 35.980 8.570 3.050 0.00 0.00 -ATOM 1510 3HG2 ILE X 103 37.450 7.530 3.180 0.00 0.00 -ATOM 1511 4HG2 ILE X 103 37.080 8.670 1.740 0.00 0.00 -ATOM 1512 CG1 ILE X 103 34.580 7.630 1.150 0.00 0.00 -ATOM 1513 2HG1 ILE X 103 34.870 8.110 0.170 0.00 0.00 -ATOM 1514 3HG1 ILE X 103 34.160 8.450 1.770 0.00 0.00 -ATOM 1515 CD ILE X 103 33.320 6.800 0.850 0.00 0.00 -ATOM 1516 2HD ILE X 103 33.610 5.770 0.580 0.00 0.00 -ATOM 1517 3HD ILE X 103 32.720 6.660 1.700 0.00 0.00 -ATOM 1518 4HD ILE X 103 32.750 7.330 0.090 0.00 0.00 -ATOM 1519 C ILE X 103 37.420 6.550 0.140 0.00 0.00 -ATOM 1520 O ILE X 103 36.860 6.810 -0.880 0.00 0.00 -ATOM 1521 N GLN X 104 38.770 6.690 0.250 0.00 0.00 -ATOM 1522 H GLN X 104 39.180 6.180 0.990 0.00 0.00 -ATOM 1523 CA GLN X 104 39.710 7.430 -0.560 0.00 0.00 -ATOM 1524 HA GLN X 104 39.170 8.350 -0.770 0.00 0.00 -ATOM 1525 CB GLN X 104 40.950 7.870 0.300 0.00 0.00 -ATOM 1526 2HB GLN X 104 41.730 8.240 -0.380 0.00 0.00 -ATOM 1527 3HB GLN X 104 41.410 6.960 0.630 0.00 0.00 -ATOM 1528 CG GLN X 104 40.760 8.770 1.540 0.00 0.00 -ATOM 1529 2HG GLN X 104 41.620 8.720 2.150 0.00 0.00 -ATOM 1530 3HG GLN X 104 39.940 8.360 2.220 0.00 0.00 -ATOM 1531 CD GLN X 104 40.480 10.170 1.110 0.00 0.00 -ATOM 1532 OE1 GLN X 104 39.460 10.780 1.390 0.00 0.00 -ATOM 1533 NE2 GLN X 104 41.480 10.750 0.450 0.00 0.00 -ATOM 1534 2HE2 GLN X 104 42.330 10.200 0.270 0.00 0.00 -ATOM 1535 3HE2 GLN X 104 41.370 11.560 -0.070 0.00 0.00 -ATOM 1536 C GLN X 104 40.010 6.560 -1.820 0.00 0.00 -ATOM 1537 O GLN X 104 40.770 7.000 -2.650 0.00 0.00 -ATOM 1538 N LEU X 105 39.390 5.360 -1.970 0.00 0.00 -ATOM 1539 H LEU X 105 38.790 5.220 -1.180 0.00 0.00 -ATOM 1540 CA LEU X 105 39.410 4.330 -3.050 0.00 0.00 -ATOM 1541 HA LEU X 105 40.350 4.390 -3.590 0.00 0.00 -ATOM 1542 CB LEU X 105 39.460 2.880 -2.430 0.00 0.00 -ATOM 1543 2HB LEU X 105 39.400 2.040 -3.130 0.00 0.00 -ATOM 1544 3HB LEU X 105 38.580 2.740 -1.860 0.00 0.00 -ATOM 1545 CG LEU X 105 40.640 2.610 -1.500 0.00 0.00 -ATOM 1546 HG LEU X 105 40.760 3.450 -0.750 0.00 0.00 -ATOM 1547 CD1 LEU X 105 40.480 1.290 -0.710 0.00 0.00 -ATOM 1548 2HD1 LEU X 105 39.420 1.160 -0.650 0.00 0.00 -ATOM 1549 3HD1 LEU X 105 40.870 0.440 -1.340 0.00 0.00 -ATOM 1550 4HD1 LEU X 105 41.050 1.380 0.210 0.00 0.00 -ATOM 1551 CD2 LEU X 105 41.910 2.430 -2.390 0.00 0.00 -ATOM 1552 2HD2 LEU X 105 42.600 1.690 -1.970 0.00 0.00 -ATOM 1553 3HD2 LEU X 105 41.610 2.120 -3.370 0.00 0.00 -ATOM 1554 4HD2 LEU X 105 42.440 3.380 -2.420 0.00 0.00 -ATOM 1555 C LEU X 105 38.290 4.540 -4.000 0.00 0.00 -ATOM 1556 O LEU X 105 38.290 4.010 -5.120 0.00 0.00 -ATOM 1557 N LEU X 106 37.340 5.420 -3.570 0.00 0.00 -ATOM 1558 H LEU X 106 37.340 5.690 -2.580 0.00 0.00 -ATOM 1559 CA LEU X 106 36.270 6.040 -4.310 0.00 0.00 -ATOM 1560 HA LEU X 106 36.190 5.440 -5.190 0.00 0.00 -ATOM 1561 CB LEU X 106 34.920 5.980 -3.520 0.00 0.00 -ATOM 1562 2HB LEU X 106 35.060 6.590 -2.600 0.00 0.00 -ATOM 1563 3HB LEU X 106 34.770 4.960 -3.100 0.00 0.00 -ATOM 1564 CG LEU X 106 33.700 6.410 -4.280 0.00 0.00 -ATOM 1565 HG LEU X 106 33.710 7.430 -4.450 0.00 0.00 -ATOM 1566 CD1 LEU X 106 33.630 5.610 -5.570 0.00 0.00 -ATOM 1567 2HD1 LEU X 106 34.020 4.590 -5.480 0.00 0.00 -ATOM 1568 3HD1 LEU X 106 32.590 5.570 -5.840 0.00 0.00 -ATOM 1569 4HD1 LEU X 106 34.110 6.140 -6.360 0.00 0.00 -ATOM 1570 CD2 LEU X 106 32.450 6.200 -3.420 0.00 0.00 -ATOM 1571 2HD2 LEU X 106 32.170 5.130 -3.480 0.00 0.00 -ATOM 1572 3HD2 LEU X 106 32.530 6.470 -2.330 0.00 0.00 -ATOM 1573 4HD2 LEU X 106 31.620 6.860 -3.780 0.00 0.00 -ATOM 1574 C LEU X 106 36.670 7.500 -4.720 0.00 0.00 -ATOM 1575 O LEU X 106 35.870 8.080 -5.380 0.00 0.00 -ATOM 1576 N LYS X 107 37.810 8.070 -4.460 0.00 0.00 -ATOM 1577 H LYS X 107 38.360 7.580 -3.850 0.00 0.00 -ATOM 1578 CA LYS X 107 38.280 9.410 -4.850 0.00 0.00 -ATOM 1579 HA LYS X 107 37.360 10.040 -4.890 0.00 0.00 -ATOM 1580 CB LYS X 107 39.250 10.080 -3.820 0.00 0.00 -ATOM 1581 2HB LYS X 107 39.030 9.630 -2.860 0.00 0.00 -ATOM 1582 3HB LYS X 107 38.960 11.110 -3.700 0.00 0.00 -ATOM 1583 CG LYS X 107 40.710 9.990 -4.250 0.00 0.00 -ATOM 1584 2HG LYS X 107 40.890 10.570 -5.150 0.00 0.00 -ATOM 1585 3HG LYS X 107 40.960 8.970 -4.480 0.00 0.00 -ATOM 1586 CD LYS X 107 41.730 10.410 -3.190 0.00 0.00 -ATOM 1587 2HD LYS X 107 41.510 9.970 -2.220 0.00 0.00 -ATOM 1588 3HD LYS X 107 41.600 11.480 -2.990 0.00 0.00 -ATOM 1589 CE LYS X 107 43.110 10.040 -3.640 0.00 0.00 -ATOM 1590 2HE LYS X 107 43.050 9.130 -4.260 0.00 0.00 -ATOM 1591 3HE LYS X 107 43.700 9.830 -2.760 0.00 0.00 -ATOM 1592 NZ LYS X 107 43.650 11.010 -4.580 0.00 0.00 -ATOM 1593 2HZ LYS X 107 43.210 10.960 -5.540 0.00 0.00 -ATOM 1594 3HZ LYS X 107 43.410 11.920 -4.180 0.00 0.00 -ATOM 1595 4HZ LYS X 107 44.640 10.810 -4.790 0.00 0.00 -ATOM 1596 C LYS X 107 38.790 9.500 -6.320 0.00 0.00 -ATOM 1597 O LYS X 107 38.280 10.430 -6.930 0.00 0.00 -ATOM 1598 N SER X 108 39.760 8.620 -6.740 0.00 0.00 -ATOM 1599 H SER X 108 40.210 7.940 -6.140 0.00 0.00 -ATOM 1600 CA SER X 108 40.230 8.680 -8.170 0.00 0.00 -ATOM 1601 HA SER X 108 40.510 9.730 -8.420 0.00 0.00 -ATOM 1602 CB SER X 108 41.520 7.900 -8.510 0.00 0.00 -ATOM 1603 2HB SER X 108 41.870 8.300 -9.490 0.00 0.00 -ATOM 1604 3HB SER X 108 41.300 6.860 -8.680 0.00 0.00 -ATOM 1605 OG SER X 108 42.560 8.030 -7.540 0.00 0.00 -ATOM 1606 HG SER X 108 42.650 9.060 -7.430 0.00 0.00 -ATOM 1607 C SER X 108 39.090 8.370 -9.200 0.00 0.00 -ATOM 1608 O SER X 108 39.070 9.020 -10.280 0.00 0.00 -ATOM 1609 N ALA X 109 38.140 7.550 -8.800 0.00 0.00 -ATOM 1610 H ALA X 109 38.380 6.960 -8.040 0.00 0.00 -ATOM 1611 CA ALA X 109 36.950 7.150 -9.470 0.00 0.00 -ATOM 1612 HA ALA X 109 37.300 6.800 -10.460 0.00 0.00 -ATOM 1613 CB ALA X 109 36.210 5.970 -8.680 0.00 0.00 -ATOM 1614 2HB ALA X 109 35.740 6.290 -7.820 0.00 0.00 -ATOM 1615 3HB ALA X 109 35.440 5.570 -9.220 0.00 0.00 -ATOM 1616 4HB ALA X 109 36.950 5.260 -8.410 0.00 0.00 -ATOM 1617 C ALA X 109 36.080 8.360 -9.710 0.00 0.00 -ATOM 1618 O ALA X 109 35.500 8.540 -10.770 0.00 0.00 -ATOM 1619 N TYR X 110 35.960 9.270 -8.710 0.00 0.00 -ATOM 1620 H TYR X 110 36.520 8.990 -7.940 0.00 0.00 -ATOM 1621 CA TYR X 110 35.290 10.530 -8.790 0.00 0.00 -ATOM 1622 HA TYR X 110 34.380 10.340 -9.330 0.00 0.00 -ATOM 1623 CB TYR X 110 35.010 10.990 -7.370 0.00 0.00 -ATOM 1624 2HB TYR X 110 35.220 12.000 -7.340 0.00 0.00 -ATOM 1625 3HB TYR X 110 35.580 10.590 -6.540 0.00 0.00 -ATOM 1626 CG TYR X 110 33.520 10.770 -6.910 0.00 0.00 -ATOM 1627 CD1 TYR X 110 32.410 11.220 -7.660 0.00 0.00 -ATOM 1628 HD1 TYR X 110 32.540 11.660 -8.660 0.00 0.00 -ATOM 1629 CE1 TYR X 110 31.100 11.100 -7.130 0.00 0.00 -ATOM 1630 HE1 TYR X 110 30.240 11.510 -7.620 0.00 0.00 -ATOM 1631 CZ TYR X 110 30.930 10.640 -5.800 0.00 0.00 -ATOM 1632 OH TYR X 110 29.660 10.540 -5.340 0.00 0.00 -ATOM 1633 HH TYR X 110 29.600 9.870 -4.650 0.00 0.00 -ATOM 1634 CE2 TYR X 110 32.030 10.200 -5.040 0.00 0.00 -ATOM 1635 HE2 TYR X 110 31.950 9.800 -4.020 0.00 0.00 -ATOM 1636 CD2 TYR X 110 33.370 10.280 -5.600 0.00 0.00 -ATOM 1637 HD2 TYR X 110 34.170 9.980 -5.030 0.00 0.00 -ATOM 1638 C TYR X 110 36.050 11.620 -9.550 0.00 0.00 -ATOM 1639 O TYR X 110 35.500 12.360 -10.390 0.00 0.00 -ATOM 1640 N GLU X 111 37.360 11.610 -9.420 0.00 0.00 -ATOM 1641 H GLU X 111 37.640 11.190 -8.520 0.00 0.00 -ATOM 1642 CA GLU X 111 38.340 12.500 -10.070 0.00 0.00 -ATOM 1643 HA GLU X 111 38.000 13.550 -9.850 0.00 0.00 -ATOM 1644 CB GLU X 111 39.720 12.260 -9.550 0.00 0.00 -ATOM 1645 2HB GLU X 111 40.220 11.520 -10.170 0.00 0.00 -ATOM 1646 3HB GLU X 111 39.630 11.970 -8.520 0.00 0.00 -ATOM 1647 CG GLU X 111 40.540 13.620 -9.780 0.00 0.00 -ATOM 1648 2HG GLU X 111 39.930 14.520 -9.450 0.00 0.00 -ATOM 1649 3HG GLU X 111 40.850 13.780 -10.780 0.00 0.00 -ATOM 1650 CD GLU X 111 41.750 13.770 -8.880 0.00 0.00 -ATOM 1651 OE1 GLU X 111 41.750 14.680 -8.010 0.00 0.00 -ATOM 1652 OE2 GLU X 111 42.680 12.960 -9.050 0.00 0.00 -ATOM 1653 C GLU X 111 38.340 12.310 -11.630 0.00 0.00 -ATOM 1654 O GLU X 111 38.520 13.250 -12.410 0.00 0.00 -ATOM 1655 N ASN X 112 38.070 11.040 -11.990 0.00 0.00 -ATOM 1656 H ASN X 112 37.920 10.470 -11.190 0.00 0.00 -ATOM 1657 CA ASN X 112 37.760 10.660 -13.380 0.00 0.00 -ATOM 1658 HA ASN X 112 38.640 10.970 -13.960 0.00 0.00 -ATOM 1659 CB ASN X 112 37.570 9.130 -13.340 0.00 0.00 -ATOM 1660 2HB ASN X 112 36.560 8.900 -13.310 0.00 0.00 -ATOM 1661 3HB ASN X 112 38.200 8.680 -12.590 0.00 0.00 -ATOM 1662 CG ASN X 112 38.000 8.470 -14.610 0.00 0.00 -ATOM 1663 OD1 ASN X 112 38.740 7.500 -14.540 0.00 0.00 -ATOM 1664 ND2 ASN X 112 37.540 8.770 -15.760 0.00 0.00 -ATOM 1665 2HD2 ASN X 112 37.930 8.190 -16.460 0.00 0.00 -ATOM 1666 3HD2 ASN X 112 36.960 9.560 -15.900 0.00 0.00 -ATOM 1667 C ASN X 112 36.580 11.370 -14.030 0.00 0.00 -ATOM 1668 O ASN X 112 36.410 11.370 -15.220 0.00 0.00 -ATOM 1669 N PHE X 113 35.770 12.150 -13.280 0.00 0.00 -ATOM 1670 H PHE X 113 35.890 12.290 -12.260 0.00 0.00 -ATOM 1671 CA PHE X 113 34.900 13.160 -13.900 0.00 0.00 -ATOM 1672 HA PHE X 113 34.350 12.780 -14.700 0.00 0.00 -ATOM 1673 CB PHE X 113 33.850 13.650 -12.850 0.00 0.00 -ATOM 1674 2HB PHE X 113 33.420 14.630 -13.210 0.00 0.00 -ATOM 1675 3HB PHE X 113 34.420 14.090 -11.980 0.00 0.00 -ATOM 1676 CG PHE X 113 32.810 12.690 -12.300 0.00 0.00 -ATOM 1677 CD1 PHE X 113 32.730 11.430 -12.750 0.00 0.00 -ATOM 1678 HD1 PHE X 113 33.400 10.950 -13.440 0.00 0.00 -ATOM 1679 CE1 PHE X 113 31.690 10.530 -12.350 0.00 0.00 -ATOM 1680 HE1 PHE X 113 31.700 9.470 -12.570 0.00 0.00 -ATOM 1681 CZ PHE X 113 30.680 10.940 -11.450 0.00 0.00 -ATOM 1682 HZ PHE X 113 29.930 10.330 -11.090 0.00 0.00 -ATOM 1683 CE2 PHE X 113 30.710 12.300 -11.000 0.00 0.00 -ATOM 1684 HE2 PHE X 113 29.990 12.700 -10.280 0.00 0.00 -ATOM 1685 CD2 PHE X 113 31.730 13.130 -11.490 0.00 0.00 -ATOM 1686 HD2 PHE X 113 31.780 14.080 -11.060 0.00 0.00 -ATOM 1687 C PHE X 113 35.750 14.320 -14.640 0.00 0.00 -ATOM 1688 O PHE X 113 35.280 14.740 -15.710 0.00 0.00 -ATOM 1689 N ASN X 114 36.920 14.780 -14.170 0.00 0.00 -ATOM 1690 H ASN X 114 37.170 14.340 -13.280 0.00 0.00 -ATOM 1691 CA ASN X 114 37.680 15.960 -14.640 0.00 0.00 -ATOM 1692 HA ASN X 114 36.990 16.710 -14.980 0.00 0.00 -ATOM 1693 CB ASN X 114 38.580 16.410 -13.500 0.00 0.00 -ATOM 1694 2HB ASN X 114 39.080 17.350 -13.710 0.00 0.00 -ATOM 1695 3HB ASN X 114 39.340 15.640 -13.220 0.00 0.00 -ATOM 1696 CG ASN X 114 37.880 16.760 -12.130 0.00 0.00 -ATOM 1697 OD1 ASN X 114 36.730 17.240 -12.050 0.00 0.00 -ATOM 1698 ND2 ASN X 114 38.590 16.530 -11.040 0.00 0.00 -ATOM 1699 2HD2 ASN X 114 38.310 16.810 -10.100 0.00 0.00 -ATOM 1700 3HD2 ASN X 114 39.570 16.350 -11.070 0.00 0.00 -ATOM 1701 C ASN X 114 38.510 15.780 -15.950 0.00 0.00 -ATOM 1702 O ASN X 114 39.650 16.250 -16.060 0.00 0.00 -ATOM 1703 N GLN X 115 37.840 15.330 -16.960 0.00 0.00 -ATOM 1704 H GLN X 115 36.830 15.120 -16.880 0.00 0.00 -ATOM 1705 CA GLN X 115 38.290 15.290 -18.370 0.00 0.00 -ATOM 1706 HA GLN X 115 39.040 16.070 -18.490 0.00 0.00 -ATOM 1707 CB GLN X 115 38.980 13.980 -18.840 0.00 0.00 -ATOM 1708 2HB GLN X 115 39.060 13.940 -19.970 0.00 0.00 -ATOM 1709 3HB GLN X 115 38.390 13.160 -18.450 0.00 0.00 -ATOM 1710 CG GLN X 115 40.360 13.940 -18.270 0.00 0.00 -ATOM 1711 2HG GLN X 115 40.430 13.840 -17.170 0.00 0.00 -ATOM 1712 3HG GLN X 115 40.950 14.810 -18.520 0.00 0.00 -ATOM 1713 CD GLN X 115 41.210 12.790 -18.670 0.00 0.00 -ATOM 1714 OE1 GLN X 115 40.930 12.040 -19.640 0.00 0.00 -ATOM 1715 NE2 GLN X 115 42.300 12.510 -18.000 0.00 0.00 -ATOM 1716 2HE2 GLN X 115 42.710 13.130 -17.310 0.00 0.00 -ATOM 1717 3HE2 GLN X 115 42.960 11.800 -18.360 0.00 0.00 -ATOM 1718 C GLN X 115 37.180 15.790 -19.360 0.00 0.00 -ATOM 1719 O GLN X 115 37.340 15.570 -20.570 0.00 0.00 -ATOM 1720 N HIE X 116 36.010 16.260 -18.910 0.00 0.00 -ATOM 1721 H HIE X 116 35.900 16.320 -17.940 0.00 0.00 -ATOM 1722 CA HIE X 116 34.810 16.560 -19.690 0.00 0.00 -ATOM 1723 HA HIE X 116 35.040 16.520 -20.780 0.00 0.00 -ATOM 1724 CB HIE X 116 33.890 15.400 -19.360 0.00 0.00 -ATOM 1725 2HB HIE X 116 33.020 15.560 -19.910 0.00 0.00 -ATOM 1726 3HB HIE X 116 33.770 15.430 -18.300 0.00 0.00 -ATOM 1727 CG HIE X 116 34.380 14.090 -19.930 0.00 0.00 -ATOM 1728 ND1 HIE X 116 34.190 13.580 -21.160 0.00 0.00 -ATOM 1729 CE1 HIE X 116 34.850 12.390 -21.240 0.00 0.00 -ATOM 1730 HE1 HIE X 116 35.030 11.790 -22.130 0.00 0.00 -ATOM 1731 NE2 HIE X 116 35.350 12.070 -20.060 0.00 0.00 -ATOM 1732 HE2 HIE X 116 35.800 11.200 -19.780 0.00 0.00 -ATOM 1733 CD2 HIE X 116 34.990 13.100 -19.240 0.00 0.00 -ATOM 1734 HD2 HIE X 116 35.170 13.230 -18.160 0.00 0.00 -ATOM 1735 C HIE X 116 34.200 17.970 -19.430 0.00 0.00 -ATOM 1736 O HIE X 116 34.980 18.770 -18.910 0.00 0.00 -ATOM 1737 N GLU X 117 32.930 18.330 -19.800 0.00 0.00 -ATOM 1738 H GLU X 117 32.330 17.600 -20.210 0.00 0.00 -ATOM 1739 CA GLU X 117 32.540 19.750 -19.760 0.00 0.00 -ATOM 1740 HA GLU X 117 33.320 20.360 -19.180 0.00 0.00 -ATOM 1741 CB GLU X 117 32.450 20.230 -21.220 0.00 0.00 -ATOM 1742 2HB GLU X 117 32.140 19.500 -21.940 0.00 0.00 -ATOM 1743 3HB GLU X 117 33.430 20.500 -21.390 0.00 0.00 -ATOM 1744 CG GLU X 117 31.640 21.500 -21.490 0.00 0.00 -ATOM 1745 2HG GLU X 117 31.470 22.150 -20.580 0.00 0.00 -ATOM 1746 3HG GLU X 117 30.580 21.290 -21.630 0.00 0.00 -ATOM 1747 CD GLU X 117 32.170 22.560 -22.520 0.00 0.00 -ATOM 1748 OE1 GLU X 117 31.800 23.760 -22.560 0.00 0.00 -ATOM 1749 OE2 GLU X 117 32.930 22.110 -23.360 0.00 0.00 -ATOM 1750 C GLU X 117 31.120 19.940 -19.120 0.00 0.00 -ATOM 1751 O GLU X 117 30.940 20.800 -18.250 0.00 0.00 -ATOM 1752 N VAL X 118 30.210 19.030 -19.480 0.00 0.00 -ATOM 1753 H VAL X 118 30.530 18.240 -20.020 0.00 0.00 -ATOM 1754 CA VAL X 118 28.880 18.790 -18.940 0.00 0.00 -ATOM 1755 HA VAL X 118 28.920 19.170 -17.950 0.00 0.00 -ATOM 1756 CB VAL X 118 27.810 19.500 -19.740 0.00 0.00 -ATOM 1757 HB VAL X 118 27.900 20.530 -19.490 0.00 0.00 -ATOM 1758 CG1 VAL X 118 27.780 19.350 -21.250 0.00 0.00 -ATOM 1759 2HG1 VAL X 118 27.660 18.320 -21.570 0.00 0.00 -ATOM 1760 3HG1 VAL X 118 26.980 19.920 -21.730 0.00 0.00 -ATOM 1761 4HG1 VAL X 118 28.720 19.710 -21.750 0.00 0.00 -ATOM 1762 CG2 VAL X 118 26.260 19.010 -19.480 0.00 0.00 -ATOM 1763 2HG2 VAL X 118 25.970 19.110 -18.410 0.00 0.00 -ATOM 1764 3HG2 VAL X 118 25.550 19.550 -20.080 0.00 0.00 -ATOM 1765 4HG2 VAL X 118 26.140 17.960 -19.720 0.00 0.00 -ATOM 1766 C VAL X 118 28.560 17.340 -18.760 0.00 0.00 -ATOM 1767 O VAL X 118 28.560 16.570 -19.720 0.00 0.00 -ATOM 1768 N LEU X 119 28.420 16.930 -17.520 0.00 0.00 -ATOM 1769 H LEU X 119 28.460 17.610 -16.740 0.00 0.00 -ATOM 1770 CA LEU X 119 28.400 15.510 -17.180 0.00 0.00 -ATOM 1771 HA LEU X 119 28.390 14.870 -18.060 0.00 0.00 -ATOM 1772 CB LEU X 119 29.630 15.220 -16.390 0.00 0.00 -ATOM 1773 2HB LEU X 119 29.670 15.890 -15.540 0.00 0.00 -ATOM 1774 3HB LEU X 119 30.490 15.520 -16.970 0.00 0.00 -ATOM 1775 CG LEU X 119 29.840 13.760 -15.880 0.00 0.00 -ATOM 1776 HG LEU X 119 29.040 13.450 -15.210 0.00 0.00 -ATOM 1777 CD1 LEU X 119 30.070 12.890 -17.060 0.00 0.00 -ATOM 1778 2HD1 LEU X 119 30.250 11.870 -16.740 0.00 0.00 -ATOM 1779 3HD1 LEU X 119 29.110 12.920 -17.690 0.00 0.00 -ATOM 1780 4HD1 LEU X 119 30.930 13.260 -17.640 0.00 0.00 -ATOM 1781 CD2 LEU X 119 31.040 13.760 -15.040 0.00 0.00 -ATOM 1782 2HD2 LEU X 119 31.030 12.750 -14.620 0.00 0.00 -ATOM 1783 3HD2 LEU X 119 31.940 14.030 -15.610 0.00 0.00 -ATOM 1784 4HD2 LEU X 119 30.990 14.360 -14.110 0.00 0.00 -ATOM 1785 C LEU X 119 27.100 15.220 -16.350 0.00 0.00 -ATOM 1786 O LEU X 119 26.920 15.810 -15.310 0.00 0.00 -ATOM 1787 N LEU X 120 26.270 14.270 -16.750 0.00 0.00 -ATOM 1788 H LEU X 120 26.470 13.780 -17.620 0.00 0.00 -ATOM 1789 CA LEU X 120 25.160 13.740 -15.920 0.00 0.00 -ATOM 1790 HA LEU X 120 24.890 14.470 -15.160 0.00 0.00 -ATOM 1791 CB LEU X 120 23.990 13.440 -16.810 0.00 0.00 -ATOM 1792 2HB LEU X 120 24.220 12.540 -17.360 0.00 0.00 -ATOM 1793 3HB LEU X 120 23.880 14.190 -17.590 0.00 0.00 -ATOM 1794 CG LEU X 120 22.640 13.050 -16.290 0.00 0.00 -ATOM 1795 HG LEU X 120 22.750 12.150 -15.780 0.00 0.00 -ATOM 1796 CD1 LEU X 120 22.030 14.030 -15.310 0.00 0.00 -ATOM 1797 2HD1 LEU X 120 22.520 13.970 -14.340 0.00 0.00 -ATOM 1798 3HD1 LEU X 120 21.990 15.080 -15.630 0.00 0.00 -ATOM 1799 4HD1 LEU X 120 21.040 13.690 -15.270 0.00 0.00 -ATOM 1800 CD2 LEU X 120 21.630 12.860 -17.460 0.00 0.00 -ATOM 1801 2HD2 LEU X 120 22.170 12.510 -18.300 0.00 0.00 -ATOM 1802 3HD2 LEU X 120 20.810 12.240 -17.210 0.00 0.00 -ATOM 1803 4HD2 LEU X 120 21.250 13.820 -17.830 0.00 0.00 -ATOM 1804 C LEU X 120 25.660 12.440 -15.150 0.00 0.00 -ATOM 1805 O LEU X 120 26.250 11.540 -15.790 0.00 0.00 -ATOM 1806 N ALA X 121 25.440 12.430 -13.840 0.00 0.00 -ATOM 1807 H ALA X 121 25.040 13.270 -13.450 0.00 0.00 -ATOM 1808 CA ALA X 121 25.970 11.450 -12.900 0.00 0.00 -ATOM 1809 HA ALA X 121 26.230 10.640 -13.480 0.00 0.00 -ATOM 1810 CB ALA X 121 27.240 12.050 -12.280 0.00 0.00 -ATOM 1811 2HB ALA X 121 27.040 12.890 -11.620 0.00 0.00 -ATOM 1812 3HB ALA X 121 27.820 11.330 -11.800 0.00 0.00 -ATOM 1813 4HB ALA X 121 27.930 12.430 -13.140 0.00 0.00 -ATOM 1814 C ALA X 121 24.970 10.950 -11.770 0.00 0.00 -ATOM 1815 O ALA X 121 24.290 11.720 -11.160 0.00 0.00 -ATOM 1816 N PRO X 122 24.980 9.650 -11.410 0.00 0.00 -ATOM 1817 CA PRO X 122 24.530 9.250 -10.080 0.00 0.00 -ATOM 1818 HA PRO X 122 23.800 9.940 -9.630 0.00 0.00 -ATOM 1819 CB PRO X 122 23.850 7.940 -10.340 0.00 0.00 -ATOM 1820 2HB PRO X 122 22.760 8.080 -10.640 0.00 0.00 -ATOM 1821 3HB PRO X 122 23.770 7.290 -9.500 0.00 0.00 -ATOM 1822 CG PRO X 122 24.570 7.270 -11.530 0.00 0.00 -ATOM 1823 2HG PRO X 122 23.800 7.010 -12.180 0.00 0.00 -ATOM 1824 3HG PRO X 122 25.140 6.380 -11.270 0.00 0.00 -ATOM 1825 CD PRO X 122 25.460 8.470 -12.130 0.00 0.00 -ATOM 1826 2HD PRO X 122 25.240 8.510 -13.210 0.00 0.00 -ATOM 1827 3HD PRO X 122 26.540 8.350 -12.100 0.00 0.00 -ATOM 1828 C PRO X 122 25.710 9.120 -9.120 0.00 0.00 -ATOM 1829 O PRO X 122 26.760 8.610 -9.490 0.00 0.00 -ATOM 1830 N LEU X 123 25.490 9.400 -7.820 0.00 0.00 -ATOM 1831 H LEU X 123 24.510 9.540 -7.580 0.00 0.00 -ATOM 1832 CA LEU X 123 26.530 9.230 -6.730 0.00 0.00 -ATOM 1833 HA LEU X 123 27.350 9.920 -6.970 0.00 0.00 -ATOM 1834 CB LEU X 123 25.850 9.520 -5.430 0.00 0.00 -ATOM 1835 2HB LEU X 123 26.560 9.240 -4.660 0.00 0.00 -ATOM 1836 3HB LEU X 123 24.910 8.920 -5.340 0.00 0.00 -ATOM 1837 CG LEU X 123 25.370 10.960 -5.240 0.00 0.00 -ATOM 1838 HG LEU X 123 24.730 11.310 -6.000 0.00 0.00 -ATOM 1839 CD1 LEU X 123 24.630 11.140 -3.890 0.00 0.00 -ATOM 1840 2HD1 LEU X 123 23.560 10.840 -3.990 0.00 0.00 -ATOM 1841 3HD1 LEU X 123 24.960 10.510 -3.070 0.00 0.00 -ATOM 1842 4HD1 LEU X 123 24.610 12.170 -3.510 0.00 0.00 -ATOM 1843 CD2 LEU X 123 26.430 12.020 -5.270 0.00 0.00 -ATOM 1844 2HD2 LEU X 123 26.930 11.880 -6.270 0.00 0.00 -ATOM 1845 3HD2 LEU X 123 26.040 13.030 -5.230 0.00 0.00 -ATOM 1846 4HD2 LEU X 123 27.150 11.810 -4.450 0.00 0.00 -ATOM 1847 C LEU X 123 27.150 7.810 -6.770 0.00 0.00 -ATOM 1848 O LEU X 123 26.450 6.850 -6.530 0.00 0.00 -ATOM 1849 N LEU X 124 28.410 7.700 -7.080 0.00 0.00 -ATOM 1850 H LEU X 124 28.920 8.570 -7.180 0.00 0.00 -ATOM 1851 CA LEU X 124 29.140 6.380 -7.180 0.00 0.00 -ATOM 1852 HA LEU X 124 28.620 5.780 -7.900 0.00 0.00 -ATOM 1853 CB LEU X 124 30.610 6.680 -7.670 0.00 0.00 -ATOM 1854 2HB LEU X 124 31.160 5.700 -7.900 0.00 0.00 -ATOM 1855 3HB LEU X 124 31.170 7.200 -6.880 0.00 0.00 -ATOM 1856 CG LEU X 124 30.740 7.600 -8.940 0.00 0.00 -ATOM 1857 HG LEU X 124 30.360 8.620 -8.720 0.00 0.00 -ATOM 1858 CD1 LEU X 124 32.130 7.830 -9.410 0.00 0.00 -ATOM 1859 2HD1 LEU X 124 32.660 6.880 -9.620 0.00 0.00 -ATOM 1860 3HD1 LEU X 124 32.140 8.430 -10.310 0.00 0.00 -ATOM 1861 4HD1 LEU X 124 32.780 8.290 -8.630 0.00 0.00 -ATOM 1862 CD2 LEU X 124 29.900 7.060 -10.080 0.00 0.00 -ATOM 1863 2HD2 LEU X 124 29.930 7.680 -10.990 0.00 0.00 -ATOM 1864 3HD2 LEU X 124 30.250 6.120 -10.500 0.00 0.00 -ATOM 1865 4HD2 LEU X 124 28.880 6.900 -9.780 0.00 0.00 -ATOM 1866 C LEU X 124 29.090 5.490 -5.980 0.00 0.00 -ATOM 1867 O LEU X 124 28.930 5.930 -4.870 0.00 0.00 -ATOM 1868 N SER X 125 29.250 4.200 -6.210 0.00 0.00 -ATOM 1869 H SER X 125 29.310 3.940 -7.200 0.00 0.00 -ATOM 1870 CA SER X 125 29.190 2.950 -5.380 0.00 0.00 -ATOM 1871 HA SER X 125 29.150 2.150 -6.050 0.00 0.00 -ATOM 1872 CB SER X 125 30.580 2.770 -4.630 0.00 0.00 -ATOM 1873 2HB SER X 125 30.510 1.790 -4.190 0.00 0.00 -ATOM 1874 3HB SER X 125 30.740 3.520 -3.860 0.00 0.00 -ATOM 1875 OG SER X 125 31.720 2.830 -5.600 0.00 0.00 -ATOM 1876 HG SER X 125 32.480 2.370 -5.220 0.00 0.00 -ATOM 1877 C SER X 125 28.140 2.820 -4.220 0.00 0.00 -ATOM 1878 O SER X 125 28.140 1.940 -3.430 0.00 0.00 -ATOM 1879 N ALA X 126 27.300 3.860 -4.090 0.00 0.00 -ATOM 1880 H ALA X 126 27.560 4.640 -4.640 0.00 0.00 -ATOM 1881 CA ALA X 126 26.310 4.250 -3.130 0.00 0.00 -ATOM 1882 HA ALA X 126 26.810 4.360 -2.120 0.00 0.00 -ATOM 1883 CB ALA X 126 25.730 5.620 -3.580 0.00 0.00 -ATOM 1884 2HB ALA X 126 25.280 6.300 -2.830 0.00 0.00 -ATOM 1885 3HB ALA X 126 26.570 6.150 -4.010 0.00 0.00 -ATOM 1886 4HB ALA X 126 25.010 5.570 -4.310 0.00 0.00 -ATOM 1887 C ALA X 126 25.280 3.140 -2.870 0.00 0.00 -ATOM 1888 O ALA X 126 24.330 3.040 -3.710 0.00 0.00 -ATOM 1889 N GLY X 127 25.310 2.430 -1.770 0.00 0.00 -ATOM 1890 H GLY X 127 26.140 2.580 -1.180 0.00 0.00 -ATOM 1891 CA GLY X 127 24.300 1.440 -1.420 0.00 0.00 -ATOM 1892 2HA GLY X 127 23.340 1.950 -1.220 0.00 0.00 -ATOM 1893 3HA GLY X 127 24.650 1.000 -0.510 0.00 0.00 -ATOM 1894 C GLY X 127 24.110 0.340 -2.380 0.00 0.00 -ATOM 1895 O GLY X 127 23.070 -0.310 -2.280 0.00 0.00 -ATOM 1896 N ILE X 128 25.020 -0.030 -3.310 0.00 0.00 -ATOM 1897 H ILE X 128 25.870 0.500 -3.310 0.00 0.00 -ATOM 1898 CA ILE X 128 24.880 -1.020 -4.380 0.00 0.00 -ATOM 1899 HA ILE X 128 24.180 -1.830 -4.080 0.00 0.00 -ATOM 1900 CB ILE X 128 24.340 -0.530 -5.700 0.00 0.00 -ATOM 1901 HB ILE X 128 24.290 -1.390 -6.430 0.00 0.00 -ATOM 1902 CG2 ILE X 128 22.920 0.020 -5.560 0.00 0.00 -ATOM 1903 2HG2 ILE X 128 22.570 0.180 -6.570 0.00 0.00 -ATOM 1904 3HG2 ILE X 128 22.180 -0.660 -5.100 0.00 0.00 -ATOM 1905 4HG2 ILE X 128 22.910 0.960 -5.040 0.00 0.00 -ATOM 1906 CG1 ILE X 128 25.370 0.570 -6.270 0.00 0.00 -ATOM 1907 2HG1 ILE X 128 26.380 0.310 -6.180 0.00 0.00 -ATOM 1908 3HG1 ILE X 128 25.110 1.470 -5.720 0.00 0.00 -ATOM 1909 CD ILE X 128 25.160 0.950 -7.780 0.00 0.00 -ATOM 1910 2HD ILE X 128 25.100 -0.040 -8.220 0.00 0.00 -ATOM 1911 3HD ILE X 128 24.240 1.490 -7.970 0.00 0.00 -ATOM 1912 4HD ILE X 128 25.940 1.460 -8.190 0.00 0.00 -ATOM 1913 C ILE X 128 26.280 -1.700 -4.640 0.00 0.00 -ATOM 1914 O ILE X 128 26.360 -2.790 -5.230 0.00 0.00 -ATOM 1915 N PHE X 129 27.430 -1.060 -4.340 0.00 0.00 -ATOM 1916 H PHE X 129 27.380 -0.240 -3.740 0.00 0.00 -ATOM 1917 CA PHE X 129 28.790 -1.620 -4.360 0.00 0.00 -ATOM 1918 HA PHE X 129 28.760 -2.720 -4.330 0.00 0.00 -ATOM 1919 CB PHE X 129 29.450 -1.260 -5.700 0.00 0.00 -ATOM 1920 2HB PHE X 129 30.510 -1.520 -5.570 0.00 0.00 -ATOM 1921 3HB PHE X 129 29.370 -0.190 -5.770 0.00 0.00 -ATOM 1922 CG PHE X 129 28.730 -2.120 -6.770 0.00 0.00 -ATOM 1923 CD1 PHE X 129 28.940 -3.500 -6.800 0.00 0.00 -ATOM 1924 HD1 PHE X 129 29.430 -3.950 -5.970 0.00 0.00 -ATOM 1925 CE1 PHE X 129 28.430 -4.300 -7.850 0.00 0.00 -ATOM 1926 HE1 PHE X 129 28.520 -5.390 -7.790 0.00 0.00 -ATOM 1927 CZ PHE X 129 27.750 -3.640 -8.940 0.00 0.00 -ATOM 1928 HZ PHE X 129 27.670 -4.120 -9.860 0.00 0.00 -ATOM 1929 CE2 PHE X 129 27.600 -2.220 -8.970 0.00 0.00 -ATOM 1930 HE2 PHE X 129 27.130 -1.810 -9.840 0.00 0.00 -ATOM 1931 CD2 PHE X 129 28.120 -1.490 -7.890 0.00 0.00 -ATOM 1932 HD2 PHE X 129 27.890 -0.410 -7.900 0.00 0.00 -ATOM 1933 C PHE X 129 29.670 -1.090 -3.190 0.00 0.00 -ATOM 1934 O PHE X 129 30.600 -0.360 -3.400 0.00 0.00 -ATOM 1935 N GLY X 130 29.310 -1.270 -1.980 0.00 0.00 -ATOM 1936 H GLY X 130 28.580 -1.890 -1.850 0.00 0.00 -ATOM 1937 CA GLY X 130 30.220 -1.160 -0.830 0.00 0.00 -ATOM 1938 2HA GLY X 130 31.140 -1.640 -1.150 0.00 0.00 -ATOM 1939 3HA GLY X 130 29.730 -1.740 -0.010 0.00 0.00 -ATOM 1940 C GLY X 130 30.620 0.230 -0.300 0.00 0.00 -ATOM 1941 O GLY X 130 31.660 0.430 0.270 0.00 0.00 -ATOM 1942 N ALA X 131 29.770 1.180 -0.530 0.00 0.00 -ATOM 1943 H ALA X 131 28.990 0.910 -1.070 0.00 0.00 -ATOM 1944 CA ALA X 131 29.830 2.530 0.070 0.00 0.00 -ATOM 1945 HA ALA X 131 30.460 2.440 0.940 0.00 0.00 -ATOM 1946 CB ALA X 131 30.430 3.560 -0.940 0.00 0.00 -ATOM 1947 2HB ALA X 131 30.640 4.510 -0.510 0.00 0.00 -ATOM 1948 3HB ALA X 131 31.230 3.220 -1.570 0.00 0.00 -ATOM 1949 4HB ALA X 131 29.540 3.710 -1.530 0.00 0.00 -ATOM 1950 C ALA X 131 28.480 3.050 0.550 0.00 0.00 -ATOM 1951 O ALA X 131 27.390 2.660 0.090 0.00 0.00 -ATOM 1952 N ASP X 132 28.530 4.000 1.480 0.00 0.00 -ATOM 1953 H ASP X 132 29.430 4.320 1.790 0.00 0.00 -ATOM 1954 CA ASP X 132 27.430 4.690 1.910 0.00 0.00 -ATOM 1955 HA ASP X 132 26.540 4.070 1.750 0.00 0.00 -ATOM 1956 CB ASP X 132 27.640 4.880 3.420 0.00 0.00 -ATOM 1957 2HB ASP X 132 28.200 5.810 3.630 0.00 0.00 -ATOM 1958 3HB ASP X 132 28.140 4.010 3.840 0.00 0.00 -ATOM 1959 CG ASP X 132 26.310 4.900 4.150 0.00 0.00 -ATOM 1960 OD1 ASP X 132 26.230 5.700 5.100 0.00 0.00 -ATOM 1961 OD2 ASP X 132 25.320 4.180 3.920 0.00 0.00 -ATOM 1962 C ASP X 132 27.190 6.100 1.180 0.00 0.00 -ATOM 1963 O ASP X 132 28.150 6.850 0.900 0.00 0.00 -ATOM 1964 N PRO X 133 26.000 6.380 0.740 0.00 0.00 -ATOM 1965 CA PRO X 133 25.750 7.500 -0.170 0.00 0.00 -ATOM 1966 HA PRO X 133 26.410 7.320 -1.090 0.00 0.00 -ATOM 1967 CB PRO X 133 24.220 7.560 -0.410 0.00 0.00 -ATOM 1968 2HB PRO X 133 23.920 8.050 -1.300 0.00 0.00 -ATOM 1969 3HB PRO X 133 23.710 8.080 0.370 0.00 0.00 -ATOM 1970 CG PRO X 133 23.760 6.090 -0.390 0.00 0.00 -ATOM 1971 2HG PRO X 133 24.100 5.610 -1.320 0.00 0.00 -ATOM 1972 3HG PRO X 133 22.690 5.930 -0.300 0.00 0.00 -ATOM 1973 CD PRO X 133 24.670 5.610 0.840 0.00 0.00 -ATOM 1974 2HD PRO X 133 24.890 4.530 0.830 0.00 0.00 -ATOM 1975 3HD PRO X 133 24.210 5.840 1.780 0.00 0.00 -ATOM 1976 C PRO X 133 26.210 8.850 0.380 0.00 0.00 -ATOM 1977 O PRO X 133 26.810 9.600 -0.360 0.00 0.00 -ATOM 1978 N ILE X 134 26.110 9.040 1.720 0.00 0.00 -ATOM 1979 H ILE X 134 25.660 8.300 2.150 0.00 0.00 -ATOM 1980 CA ILE X 134 26.430 10.290 2.460 0.00 0.00 -ATOM 1981 HA ILE X 134 26.200 11.040 1.730 0.00 0.00 -ATOM 1982 CB ILE X 134 25.760 10.470 3.810 0.00 0.00 -ATOM 1983 HB ILE X 134 26.180 9.740 4.560 0.00 0.00 -ATOM 1984 CG2 ILE X 134 25.910 11.890 4.430 0.00 0.00 -ATOM 1985 2HG2 ILE X 134 25.550 12.620 3.740 0.00 0.00 -ATOM 1986 3HG2 ILE X 134 25.310 12.060 5.340 0.00 0.00 -ATOM 1987 4HG2 ILE X 134 26.970 12.180 4.560 0.00 0.00 -ATOM 1988 CG1 ILE X 134 24.260 10.080 3.680 0.00 0.00 -ATOM 1989 2HG1 ILE X 134 23.800 10.140 4.690 0.00 0.00 -ATOM 1990 3HG1 ILE X 134 24.100 9.050 3.300 0.00 0.00 -ATOM 1991 CD ILE X 134 23.490 10.980 2.760 0.00 0.00 -ATOM 1992 2HD ILE X 134 22.510 10.640 2.770 0.00 0.00 -ATOM 1993 3HD ILE X 134 23.400 11.970 3.140 0.00 0.00 -ATOM 1994 4HD ILE X 134 23.860 10.970 1.780 0.00 0.00 -ATOM 1995 C ILE X 134 27.940 10.350 2.700 0.00 0.00 -ATOM 1996 O ILE X 134 28.510 11.450 2.750 0.00 0.00 -ATOM 1997 N HIE X 135 28.780 9.290 2.600 0.00 0.00 -ATOM 1998 H HIE X 135 28.420 8.360 2.310 0.00 0.00 -ATOM 1999 CA HIE X 135 30.230 9.360 2.560 0.00 0.00 -ATOM 2000 HA HIE X 135 30.550 10.330 2.980 0.00 0.00 -ATOM 2001 CB HIE X 135 30.670 8.180 3.510 0.00 0.00 -ATOM 2002 2HB HIE X 135 30.730 7.310 2.970 0.00 0.00 -ATOM 2003 3HB HIE X 135 29.980 7.930 4.350 0.00 0.00 -ATOM 2004 CG HIE X 135 31.950 8.420 4.210 0.00 0.00 -ATOM 2005 ND1 HIE X 135 33.120 7.660 3.990 0.00 0.00 -ATOM 2006 CE1 HIE X 135 34.090 8.270 4.740 0.00 0.00 -ATOM 2007 HE1 HIE X 135 35.020 7.880 5.050 0.00 0.00 -ATOM 2008 NE2 HIE X 135 33.560 9.370 5.310 0.00 0.00 -ATOM 2009 HE2 HIE X 135 33.930 10.050 5.990 0.00 0.00 -ATOM 2010 CD2 HIE X 135 32.250 9.590 4.820 0.00 0.00 -ATOM 2011 HD2 HIE X 135 31.540 10.340 5.120 0.00 0.00 -ATOM 2012 C HIE X 135 30.740 9.410 1.120 0.00 0.00 -ATOM 2013 O HIE X 135 31.630 10.230 0.920 0.00 0.00 -ATOM 2014 N SER X 136 30.090 8.650 0.180 0.00 0.00 -ATOM 2015 H SER X 136 29.440 7.960 0.480 0.00 0.00 -ATOM 2016 CA SER X 136 30.410 8.840 -1.320 0.00 0.00 -ATOM 2017 HA SER X 136 31.430 8.470 -1.620 0.00 0.00 -ATOM 2018 CB SER X 136 29.320 8.130 -2.180 0.00 0.00 -ATOM 2019 2HB SER X 136 28.330 8.420 -1.900 0.00 0.00 -ATOM 2020 3HB SER X 136 29.410 7.050 -2.010 0.00 0.00 -ATOM 2021 OG SER X 136 29.400 8.530 -3.620 0.00 0.00 -ATOM 2022 HG SER X 136 29.120 7.720 -4.110 0.00 0.00 -ATOM 2023 C SER X 136 30.190 10.330 -1.630 0.00 0.00 -ATOM 2024 O SER X 136 31.030 10.890 -2.310 0.00 0.00 -ATOM 2025 N LEU X 137 29.180 11.040 -1.060 0.00 0.00 -ATOM 2026 H LEU X 137 28.480 10.430 -0.600 0.00 0.00 -ATOM 2027 CA LEU X 137 28.890 12.450 -1.310 0.00 0.00 -ATOM 2028 HA LEU X 137 28.580 12.540 -2.390 0.00 0.00 -ATOM 2029 CB LEU X 137 27.710 12.800 -0.420 0.00 0.00 -ATOM 2030 2HB LEU X 137 28.090 12.940 0.620 0.00 0.00 -ATOM 2031 3HB LEU X 137 26.930 12.060 -0.340 0.00 0.00 -ATOM 2032 CG LEU X 137 27.080 14.170 -0.760 0.00 0.00 -ATOM 2033 HG LEU X 137 27.760 14.970 -0.430 0.00 0.00 -ATOM 2034 CD1 LEU X 137 26.750 14.450 -2.230 0.00 0.00 -ATOM 2035 2HD1 LEU X 137 26.170 15.320 -2.350 0.00 0.00 -ATOM 2036 3HD1 LEU X 137 27.660 14.730 -2.780 0.00 0.00 -ATOM 2037 4HD1 LEU X 137 26.450 13.580 -2.750 0.00 0.00 -ATOM 2038 CD2 LEU X 137 25.910 14.470 0.110 0.00 0.00 -ATOM 2039 2HD2 LEU X 137 25.530 15.480 -0.050 0.00 0.00 -ATOM 2040 3HD2 LEU X 137 25.110 13.700 -0.040 0.00 0.00 -ATOM 2041 4HD2 LEU X 137 26.150 14.410 1.160 0.00 0.00 -ATOM 2042 C LEU X 137 30.070 13.390 -1.080 0.00 0.00 -ATOM 2043 O LEU X 137 30.290 14.350 -1.770 0.00 0.00 -ATOM 2044 N ARG X 138 30.870 13.110 -0.050 0.00 0.00 -ATOM 2045 H ARG X 138 30.560 12.380 0.590 0.00 0.00 -ATOM 2046 CA ARG X 138 32.040 13.950 0.400 0.00 0.00 -ATOM 2047 HA ARG X 138 31.730 14.930 0.570 0.00 0.00 -ATOM 2048 CB ARG X 138 32.530 13.390 1.700 0.00 0.00 -ATOM 2049 2HB ARG X 138 33.420 13.930 2.050 0.00 0.00 -ATOM 2050 3HB ARG X 138 32.740 12.280 1.560 0.00 0.00 -ATOM 2051 CG ARG X 138 31.340 13.530 2.780 0.00 0.00 -ATOM 2052 2HG ARG X 138 30.480 12.890 2.620 0.00 0.00 -ATOM 2053 3HG ARG X 138 30.980 14.500 2.800 0.00 0.00 -ATOM 2054 CD ARG X 138 32.000 13.200 4.120 0.00 0.00 -ATOM 2055 2HD ARG X 138 32.700 13.970 4.330 0.00 0.00 -ATOM 2056 3HD ARG X 138 32.480 12.210 3.980 0.00 0.00 -ATOM 2057 NE ARG X 138 30.880 13.090 5.100 0.00 0.00 -ATOM 2058 HE ARG X 138 29.910 13.010 4.780 0.00 0.00 -ATOM 2059 CZ ARG X 138 31.060 12.990 6.420 0.00 0.00 -ATOM 2060 NH1 ARG X 138 32.210 12.770 6.930 0.00 0.00 -ATOM 2061 2HH1 ARG X 138 33.130 12.740 6.500 0.00 0.00 -ATOM 2062 3HH1 ARG X 138 32.350 12.540 7.970 0.00 0.00 -ATOM 2063 NH2 ARG X 138 29.920 13.010 7.130 0.00 0.00 -ATOM 2064 2HH2 ARG X 138 29.010 13.330 6.800 0.00 0.00 -ATOM 2065 3HH2 ARG X 138 30.130 13.030 8.110 0.00 0.00 -ATOM 2066 C ARG X 138 33.180 13.890 -0.540 0.00 0.00 -ATOM 2067 O ARG X 138 33.760 14.890 -0.870 0.00 0.00 -ATOM 2068 N VAL X 139 33.450 12.700 -1.030 0.00 0.00 -ATOM 2069 H VAL X 139 32.910 11.920 -0.650 0.00 0.00 -ATOM 2070 CA VAL X 139 34.470 12.550 -2.030 0.00 0.00 -ATOM 2071 HA VAL X 139 35.230 13.290 -1.670 0.00 0.00 -ATOM 2072 CB VAL X 139 35.110 11.190 -2.270 0.00 0.00 -ATOM 2073 HB VAL X 139 35.150 11.020 -3.330 0.00 0.00 -ATOM 2074 CG1 VAL X 139 36.490 11.140 -1.610 0.00 0.00 -ATOM 2075 2HG1 VAL X 139 36.400 11.190 -0.570 0.00 0.00 -ATOM 2076 3HG1 VAL X 139 36.990 10.150 -1.850 0.00 0.00 -ATOM 2077 4HG1 VAL X 139 37.030 12.080 -2.010 0.00 0.00 -ATOM 2078 CG2 VAL X 139 34.340 9.970 -1.670 0.00 0.00 -ATOM 2079 2HG2 VAL X 139 34.690 8.990 -2.010 0.00 0.00 -ATOM 2080 3HG2 VAL X 139 34.410 10.000 -0.600 0.00 0.00 -ATOM 2081 4HG2 VAL X 139 33.280 10.050 -1.870 0.00 0.00 -ATOM 2082 C VAL X 139 34.130 13.230 -3.380 0.00 0.00 -ATOM 2083 O VAL X 139 34.920 13.930 -3.970 0.00 0.00 -ATOM 2084 N CYS X 140 32.860 13.160 -3.860 0.00 0.00 -ATOM 2085 H CYS X 140 32.200 12.490 -3.460 0.00 0.00 -ATOM 2086 CA CYS X 140 32.320 14.040 -4.940 0.00 0.00 -ATOM 2087 HA CYS X 140 32.810 13.640 -5.840 0.00 0.00 -ATOM 2088 CB CYS X 140 30.740 13.900 -5.090 0.00 0.00 -ATOM 2089 2HB CYS X 140 30.270 14.280 -4.170 0.00 0.00 -ATOM 2090 3HB CYS X 140 30.500 12.860 -5.250 0.00 0.00 -ATOM 2091 SG CYS X 140 29.920 14.700 -6.480 0.00 0.00 -ATOM 2092 HG CYS X 140 30.040 15.990 -6.070 0.00 0.00 -ATOM 2093 C CYS X 140 32.750 15.570 -4.750 0.00 0.00 -ATOM 2094 O CYS X 140 33.150 16.260 -5.680 0.00 0.00 -ATOM 2095 N VAL X 141 32.530 16.140 -3.510 0.00 0.00 -ATOM 2096 H VAL X 141 32.100 15.480 -2.830 0.00 0.00 -ATOM 2097 CA VAL X 141 32.660 17.590 -3.170 0.00 0.00 -ATOM 2098 HA VAL X 141 32.460 18.190 -4.050 0.00 0.00 -ATOM 2099 CB VAL X 141 31.690 18.130 -2.040 0.00 0.00 -ATOM 2100 HB VAL X 141 31.840 17.560 -1.100 0.00 0.00 -ATOM 2101 CG1 VAL X 141 31.660 19.660 -1.730 0.00 0.00 -ATOM 2102 2HG1 VAL X 141 32.670 20.070 -1.590 0.00 0.00 -ATOM 2103 3HG1 VAL X 141 31.240 20.180 -2.580 0.00 0.00 -ATOM 2104 4HG1 VAL X 141 31.020 19.870 -0.830 0.00 0.00 -ATOM 2105 CG2 VAL X 141 30.240 17.800 -2.520 0.00 0.00 -ATOM 2106 2HG2 VAL X 141 29.680 18.180 -1.760 0.00 0.00 -ATOM 2107 3HG2 VAL X 141 30.120 18.300 -3.460 0.00 0.00 -ATOM 2108 4HG2 VAL X 141 29.940 16.780 -2.540 0.00 0.00 -ATOM 2109 C VAL X 141 34.100 17.910 -2.910 0.00 0.00 -ATOM 2110 O VAL X 141 34.500 19.040 -2.650 0.00 0.00 -ATOM 2111 N ASP X 142 34.980 16.890 -2.950 0.00 0.00 -ATOM 2112 H ASP X 142 34.670 15.900 -3.000 0.00 0.00 -ATOM 2113 CA ASP X 142 36.350 17.040 -2.670 0.00 0.00 -ATOM 2114 HA ASP X 142 36.690 18.040 -2.370 0.00 0.00 -ATOM 2115 CB ASP X 142 36.640 16.210 -1.430 0.00 0.00 -ATOM 2116 2HB ASP X 142 36.580 15.210 -1.770 0.00 0.00 -ATOM 2117 3HB ASP X 142 35.870 16.430 -0.690 0.00 0.00 -ATOM 2118 CG ASP X 142 37.970 16.430 -0.680 0.00 0.00 -ATOM 2119 OD1 ASP X 142 38.600 17.540 -0.860 0.00 0.00 -ATOM 2120 OD2 ASP X 142 38.320 15.640 0.200 0.00 0.00 -ATOM 2121 C ASP X 142 37.240 16.660 -3.870 0.00 0.00 -ATOM 2122 O ASP X 142 38.460 16.750 -3.700 0.00 0.00 -ATOM 2123 N THR X 143 36.670 16.220 -5.000 0.00 0.00 -ATOM 2124 H THR X 143 35.690 16.140 -4.950 0.00 0.00 -ATOM 2125 CA THR X 143 37.380 15.520 -6.110 0.00 0.00 -ATOM 2126 HA THR X 143 38.350 15.920 -6.320 0.00 0.00 -ATOM 2127 CB THR X 143 37.750 14.030 -5.930 0.00 0.00 -ATOM 2128 HB THR X 143 37.050 13.420 -6.550 0.00 0.00 -ATOM 2129 CG2 THR X 143 39.240 13.830 -6.290 0.00 0.00 -ATOM 2130 2HG2 THR X 143 39.550 12.810 -6.100 0.00 0.00 -ATOM 2131 3HG2 THR X 143 39.240 14.120 -7.260 0.00 0.00 -ATOM 2132 4HG2 THR X 143 39.880 14.490 -5.730 0.00 0.00 -ATOM 2133 OG1 THR X 143 37.640 13.730 -4.520 0.00 0.00 -ATOM 2134 HG1 THR X 143 36.670 13.850 -4.340 0.00 0.00 -ATOM 2135 C THR X 143 36.660 15.740 -7.540 0.00 0.00 -ATOM 2136 O THR X 143 37.130 15.100 -8.490 0.00 0.00 -ATOM 2137 N VAL X 144 35.630 16.630 -7.630 0.00 0.00 -ATOM 2138 H VAL X 144 35.290 17.050 -6.800 0.00 0.00 -ATOM 2139 CA VAL X 144 34.890 16.940 -8.930 0.00 0.00 -ATOM 2140 HA VAL X 144 35.310 16.300 -9.700 0.00 0.00 -ATOM 2141 CB VAL X 144 33.400 16.460 -8.900 0.00 0.00 -ATOM 2142 HB VAL X 144 32.760 17.060 -8.210 0.00 0.00 -ATOM 2143 CG1 VAL X 144 32.740 16.690 -10.220 0.00 0.00 -ATOM 2144 2HG1 VAL X 144 33.240 17.410 -10.770 0.00 0.00 -ATOM 2145 3HG1 VAL X 144 32.880 15.800 -10.840 0.00 0.00 -ATOM 2146 4HG1 VAL X 144 31.660 16.910 -10.070 0.00 0.00 -ATOM 2147 CG2 VAL X 144 33.320 14.940 -8.500 0.00 0.00 -ATOM 2148 2HG2 VAL X 144 32.270 14.600 -8.490 0.00 0.00 -ATOM 2149 3HG2 VAL X 144 33.860 14.260 -9.140 0.00 0.00 -ATOM 2150 4HG2 VAL X 144 33.730 14.850 -7.450 0.00 0.00 -ATOM 2151 C VAL X 144 35.000 18.420 -9.160 0.00 0.00 -ATOM 2152 O VAL X 144 34.650 19.210 -8.290 0.00 0.00 -ATOM 2153 N ARG X 145 35.270 18.860 -10.410 0.00 0.00 -ATOM 2154 H ARG X 145 35.680 18.230 -11.070 0.00 0.00 -ATOM 2155 CA ARG X 145 35.240 20.260 -10.760 0.00 0.00 -ATOM 2156 HA ARG X 145 34.570 20.810 -10.140 0.00 0.00 -ATOM 2157 CB ARG X 145 36.540 21.010 -10.390 0.00 0.00 -ATOM 2158 2HB ARG X 145 36.750 21.080 -9.310 0.00 0.00 -ATOM 2159 3HB ARG X 145 36.350 21.980 -10.740 0.00 0.00 -ATOM 2160 CG ARG X 145 37.850 20.470 -11.180 0.00 0.00 -ATOM 2161 2HG ARG X 145 37.630 20.210 -12.190 0.00 0.00 -ATOM 2162 3HG ARG X 145 38.300 19.630 -10.570 0.00 0.00 -ATOM 2163 CD ARG X 145 38.960 21.600 -11.160 0.00 0.00 -ATOM 2164 2HD ARG X 145 39.920 21.190 -11.240 0.00 0.00 -ATOM 2165 3HD ARG X 145 38.940 22.020 -10.140 0.00 0.00 -ATOM 2166 NE ARG X 145 38.630 22.650 -12.220 0.00 0.00 -ATOM 2167 HE ARG X 145 38.950 22.440 -13.190 0.00 0.00 -ATOM 2168 CZ ARG X 145 38.080 23.840 -12.220 0.00 0.00 -ATOM 2169 NH1 ARG X 145 37.800 24.520 -11.160 0.00 0.00 -ATOM 2170 2HH1 ARG X 145 38.080 24.230 -10.270 0.00 0.00 -ATOM 2171 3HH1 ARG X 145 37.160 25.280 -11.370 0.00 0.00 -ATOM 2172 NH2 ARG X 145 37.910 24.460 -13.360 0.00 0.00 -ATOM 2173 2HH2 ARG X 145 38.090 24.080 -14.320 0.00 0.00 -ATOM 2174 3HH2 ARG X 145 37.780 25.470 -13.380 0.00 0.00 -ATOM 2175 C ARG X 145 34.820 20.730 -12.170 0.00 0.00 -ATOM 2176 O ARG X 145 34.180 21.790 -12.320 0.00 0.00 -ATOM 2177 N THR X 146 34.890 19.710 -13.080 0.00 0.00 -ATOM 2178 H THR X 146 35.410 18.910 -12.790 0.00 0.00 -ATOM 2179 CA THR X 146 33.900 19.520 -14.150 0.00 0.00 -ATOM 2180 HA THR X 146 34.030 20.340 -14.900 0.00 0.00 -ATOM 2181 CB THR X 146 34.190 18.140 -14.830 0.00 0.00 -ATOM 2182 HB THR X 146 34.310 17.300 -14.090 0.00 0.00 -ATOM 2183 CG2 THR X 146 33.140 17.560 -15.830 0.00 0.00 -ATOM 2184 2HG2 THR X 146 33.600 16.890 -16.500 0.00 0.00 -ATOM 2185 3HG2 THR X 146 32.310 17.040 -15.330 0.00 0.00 -ATOM 2186 4HG2 THR X 146 32.740 18.400 -16.390 0.00 0.00 -ATOM 2187 OG1 THR X 146 35.310 18.160 -15.610 0.00 0.00 -ATOM 2188 HG1 THR X 146 35.920 18.720 -15.110 0.00 0.00 -ATOM 2189 C THR X 146 32.540 19.540 -13.600 0.00 0.00 -ATOM 2190 O THR X 146 32.150 18.810 -12.640 0.00 0.00 -ATOM 2191 N ASN X 147 31.700 20.330 -14.280 0.00 0.00 -ATOM 2192 H ASN X 147 32.080 20.950 -15.000 0.00 0.00 -ATOM 2193 CA ASN X 147 30.310 20.620 -14.020 0.00 0.00 -ATOM 2194 HA ASN X 147 30.190 21.070 -13.050 0.00 0.00 -ATOM 2195 CB ASN X 147 29.880 21.770 -14.920 0.00 0.00 -ATOM 2196 2HB ASN X 147 28.820 21.790 -14.830 0.00 0.00 -ATOM 2197 3HB ASN X 147 30.140 21.460 -16.000 0.00 0.00 -ATOM 2198 CG ASN X 147 30.570 23.090 -14.650 0.00 0.00 -ATOM 2199 OD1 ASN X 147 30.230 23.810 -13.690 0.00 0.00 -ATOM 2200 ND2 ASN X 147 31.520 23.570 -15.360 0.00 0.00 -ATOM 2201 2HD2 ASN X 147 31.940 24.380 -15.040 0.00 0.00 -ATOM 2202 3HD2 ASN X 147 31.870 23.160 -16.170 0.00 0.00 -ATOM 2203 C ASN X 147 29.340 19.390 -14.070 0.00 0.00 -ATOM 2204 O ASN X 147 28.890 19.070 -15.200 0.00 0.00 -ATOM 2205 N VAL X 148 29.030 18.730 -12.960 0.00 0.00 -ATOM 2206 H VAL X 148 29.180 19.280 -12.160 0.00 0.00 -ATOM 2207 CA VAL X 148 28.260 17.510 -12.790 0.00 0.00 -ATOM 2208 HA VAL X 148 28.290 16.940 -13.690 0.00 0.00 -ATOM 2209 CB VAL X 148 28.800 16.610 -11.640 0.00 0.00 -ATOM 2210 HB VAL X 148 29.920 16.570 -11.780 0.00 0.00 -ATOM 2211 CG1 VAL X 148 28.490 16.970 -10.170 0.00 0.00 -ATOM 2212 2HG1 VAL X 148 28.630 16.150 -9.450 0.00 0.00 -ATOM 2213 3HG1 VAL X 148 29.140 17.820 -9.910 0.00 0.00 -ATOM 2214 4HG1 VAL X 148 27.410 17.100 -9.960 0.00 0.00 -ATOM 2215 CG2 VAL X 148 28.320 15.150 -11.810 0.00 0.00 -ATOM 2216 2HG2 VAL X 148 27.160 15.180 -11.920 0.00 0.00 -ATOM 2217 3HG2 VAL X 148 28.700 14.820 -12.750 0.00 0.00 -ATOM 2218 4HG2 VAL X 148 28.630 14.570 -10.960 0.00 0.00 -ATOM 2219 C VAL X 148 26.810 17.980 -12.490 0.00 0.00 -ATOM 2220 O VAL X 148 26.590 18.990 -11.830 0.00 0.00 -ATOM 2221 N TYR X 149 25.860 17.150 -12.990 0.00 0.00 -ATOM 2222 H TYR X 149 26.220 16.470 -13.590 0.00 0.00 -ATOM 2223 CA TYR X 149 24.430 17.330 -12.880 0.00 0.00 -ATOM 2224 HA TYR X 149 24.200 18.120 -12.260 0.00 0.00 -ATOM 2225 CB TYR X 149 23.620 17.530 -14.270 0.00 0.00 -ATOM 2226 2HB TYR X 149 22.520 17.660 -14.030 0.00 0.00 -ATOM 2227 3HB TYR X 149 23.800 16.730 -15.050 0.00 0.00 -ATOM 2228 CG TYR X 149 24.060 18.870 -14.830 0.00 0.00 -ATOM 2229 CD1 TYR X 149 23.420 20.020 -14.210 0.00 0.00 -ATOM 2230 HD1 TYR X 149 22.690 19.820 -13.460 0.00 0.00 -ATOM 2231 CE1 TYR X 149 23.700 21.390 -14.660 0.00 0.00 -ATOM 2232 HE1 TYR X 149 23.340 22.320 -14.220 0.00 0.00 -ATOM 2233 CZ TYR X 149 24.900 21.500 -15.420 0.00 0.00 -ATOM 2234 OH TYR X 149 25.360 22.730 -15.750 0.00 0.00 -ATOM 2235 HH TYR X 149 24.860 23.490 -15.440 0.00 0.00 -ATOM 2236 CE2 TYR X 149 25.570 20.390 -16.020 0.00 0.00 -ATOM 2237 HE2 TYR X 149 26.490 20.430 -16.580 0.00 0.00 -ATOM 2238 CD2 TYR X 149 25.200 19.090 -15.700 0.00 0.00 -ATOM 2239 HD2 TYR X 149 25.800 18.270 -16.000 0.00 0.00 -ATOM 2240 C TYR X 149 23.960 16.030 -12.220 0.00 0.00 -ATOM 2241 O TYR X 149 24.200 14.930 -12.690 0.00 0.00 -ATOM 2242 N LEU X 150 23.450 16.170 -10.980 0.00 0.00 -ATOM 2243 H LEU X 150 23.330 17.090 -10.560 0.00 0.00 -ATOM 2244 CA LEU X 150 22.980 15.010 -10.210 0.00 0.00 -ATOM 2245 HA LEU X 150 23.280 14.140 -10.740 0.00 0.00 -ATOM 2246 CB LEU X 150 23.480 15.080 -8.730 0.00 0.00 -ATOM 2247 2HB LEU X 150 23.020 14.270 -8.200 0.00 0.00 -ATOM 2248 3HB LEU X 150 23.110 16.020 -8.380 0.00 0.00 -ATOM 2249 CG LEU X 150 24.980 15.000 -8.510 0.00 0.00 -ATOM 2250 HG LEU X 150 25.450 15.860 -9.020 0.00 0.00 -ATOM 2251 CD1 LEU X 150 25.210 15.230 -7.010 0.00 0.00 -ATOM 2252 2HD1 LEU X 150 24.960 16.270 -6.850 0.00 0.00 -ATOM 2253 3HD1 LEU X 150 24.640 14.520 -6.460 0.00 0.00 -ATOM 2254 4HD1 LEU X 150 26.250 15.080 -6.710 0.00 0.00 -ATOM 2255 CD2 LEU X 150 25.560 13.640 -9.050 0.00 0.00 -ATOM 2256 2HD2 LEU X 150 25.450 13.800 -10.090 0.00 0.00 -ATOM 2257 3HD2 LEU X 150 26.600 13.500 -8.710 0.00 0.00 -ATOM 2258 4HD2 LEU X 150 24.900 12.800 -8.790 0.00 0.00 -ATOM 2259 C LEU X 150 21.440 14.980 -10.170 0.00 0.00 -ATOM 2260 O LEU X 150 20.770 16.040 -10.010 0.00 0.00 -ATOM 2261 N ALA X 151 20.890 13.750 -10.220 0.00 0.00 -ATOM 2262 H ALA X 151 21.440 12.960 -10.560 0.00 0.00 -ATOM 2263 CA ALA X 151 19.460 13.700 -10.060 0.00 0.00 -ATOM 2264 HA ALA X 151 19.130 14.600 -9.500 0.00 0.00 -ATOM 2265 CB ALA X 151 18.890 13.660 -11.460 0.00 0.00 -ATOM 2266 2HB ALA X 151 17.900 14.110 -11.230 0.00 0.00 -ATOM 2267 3HB ALA X 151 19.520 14.370 -12.090 0.00 0.00 -ATOM 2268 4HB ALA X 151 18.780 12.630 -11.950 0.00 0.00 -ATOM 2269 C ALA X 151 18.950 12.630 -9.120 0.00 0.00 -ATOM 2270 O ALA X 151 19.350 11.520 -9.490 0.00 0.00 -ATOM 2271 N VAL X 152 18.320 12.930 -7.970 0.00 0.00 -ATOM 2272 H VAL X 152 17.980 13.890 -7.900 0.00 0.00 -ATOM 2273 CA VAL X 152 17.890 12.040 -6.870 0.00 0.00 -ATOM 2274 HA VAL X 152 18.080 11.030 -7.200 0.00 0.00 -ATOM 2275 CB VAL X 152 18.590 12.230 -5.460 0.00 0.00 -ATOM 2276 HB VAL X 152 18.390 13.260 -5.110 0.00 0.00 -ATOM 2277 CG1 VAL X 152 17.940 11.240 -4.500 0.00 0.00 -ATOM 2278 2HG1 VAL X 152 16.950 11.580 -4.400 0.00 0.00 -ATOM 2279 3HG1 VAL X 152 17.890 10.240 -4.930 0.00 0.00 -ATOM 2280 4HG1 VAL X 152 18.460 11.270 -3.540 0.00 0.00 -ATOM 2281 CG2 VAL X 152 20.070 11.960 -5.510 0.00 0.00 -ATOM 2282 2HG2 VAL X 152 20.540 12.670 -6.220 0.00 0.00 -ATOM 2283 3HG2 VAL X 152 20.400 11.910 -4.510 0.00 0.00 -ATOM 2284 4HG2 VAL X 152 20.200 10.960 -5.780 0.00 0.00 -ATOM 2285 C VAL X 152 16.330 12.140 -6.820 0.00 0.00 -ATOM 2286 O VAL X 152 15.800 13.100 -6.270 0.00 0.00 -ATOM 2287 N PHE X 153 15.670 11.260 -7.530 0.00 0.00 -ATOM 2288 H PHE X 153 16.190 10.380 -7.780 0.00 0.00 -ATOM 2289 CA PHE X 153 14.220 11.180 -7.450 0.00 0.00 -ATOM 2290 HA PHE X 153 13.910 12.220 -7.610 0.00 0.00 -ATOM 2291 CB PHE X 153 13.600 10.200 -8.520 0.00 0.00 -ATOM 2292 2HB PHE X 153 14.050 9.270 -8.210 0.00 0.00 -ATOM 2293 3HB PHE X 153 14.000 10.540 -9.500 0.00 0.00 -ATOM 2294 CG PHE X 153 12.110 10.150 -8.640 0.00 0.00 -ATOM 2295 CD1 PHE X 153 11.370 11.260 -8.280 0.00 0.00 -ATOM 2296 HD1 PHE X 153 11.870 12.090 -7.820 0.00 0.00 -ATOM 2297 CE1 PHE X 153 9.990 11.240 -8.410 0.00 0.00 -ATOM 2298 HE1 PHE X 153 9.450 12.150 -8.220 0.00 0.00 -ATOM 2299 CZ PHE X 153 9.300 10.120 -8.910 0.00 0.00 -ATOM 2300 HZ PHE X 153 8.200 10.160 -8.960 0.00 0.00 -ATOM 2301 CE2 PHE X 153 10.050 9.020 -9.390 0.00 0.00 -ATOM 2302 HE2 PHE X 153 9.390 8.180 -9.710 0.00 0.00 -ATOM 2303 CD2 PHE X 153 11.450 9.020 -9.160 0.00 0.00 -ATOM 2304 HD2 PHE X 153 11.920 8.050 -9.370 0.00 0.00 -ATOM 2305 C PHE X 153 13.730 10.740 -6.070 0.00 0.00 -ATOM 2306 O PHE X 153 12.790 11.240 -5.460 0.00 0.00 -ATOM 2307 N ASP X 154 14.620 9.930 -5.440 0.00 0.00 -ATOM 2308 H ASP X 154 15.470 9.690 -5.940 0.00 0.00 -ATOM 2309 CA ASP X 154 14.350 9.190 -4.240 0.00 0.00 -ATOM 2310 HA ASP X 154 13.410 8.650 -4.240 0.00 0.00 -ATOM 2311 CB ASP X 154 15.530 8.270 -3.780 0.00 0.00 -ATOM 2312 2HB ASP X 154 16.430 8.790 -3.690 0.00 0.00 -ATOM 2313 3HB ASP X 154 15.720 7.500 -4.560 0.00 0.00 -ATOM 2314 CG ASP X 154 15.210 7.550 -2.390 0.00 0.00 -ATOM 2315 OD1 ASP X 154 14.020 7.260 -2.150 0.00 0.00 -ATOM 2316 OD2 ASP X 154 16.200 6.980 -1.790 0.00 0.00 -ATOM 2317 C ASP X 154 14.020 10.180 -3.130 0.00 0.00 -ATOM 2318 O ASP X 154 15.000 10.630 -2.520 0.00 0.00 -ATOM 2319 N LYS X 155 12.780 10.200 -2.620 0.00 0.00 -ATOM 2320 H LYS X 155 12.160 9.530 -3.020 0.00 0.00 -ATOM 2321 CA LYS X 155 12.220 10.950 -1.500 0.00 0.00 -ATOM 2322 HA LYS X 155 12.160 12.060 -1.690 0.00 0.00 -ATOM 2323 CB LYS X 155 10.760 10.600 -1.440 0.00 0.00 -ATOM 2324 2HB LYS X 155 10.430 10.520 -2.480 0.00 0.00 -ATOM 2325 3HB LYS X 155 10.240 11.500 -1.040 0.00 0.00 -ATOM 2326 CG LYS X 155 10.360 9.280 -0.630 0.00 0.00 -ATOM 2327 2HG LYS X 155 10.640 9.610 0.390 0.00 0.00 -ATOM 2328 3HG LYS X 155 10.960 8.450 -0.970 0.00 0.00 -ATOM 2329 CD LYS X 155 8.950 8.870 -0.540 0.00 0.00 -ATOM 2330 2HD LYS X 155 8.860 8.700 -1.640 0.00 0.00 -ATOM 2331 3HD LYS X 155 8.330 9.690 -0.300 0.00 0.00 -ATOM 2332 CE LYS X 155 8.780 7.580 0.280 0.00 0.00 -ATOM 2333 2HE LYS X 155 9.320 7.590 1.210 0.00 0.00 -ATOM 2334 3HE LYS X 155 8.940 6.810 -0.520 0.00 0.00 -ATOM 2335 NZ LYS X 155 7.350 7.410 0.720 0.00 0.00 -ATOM 2336 2HZ LYS X 155 7.050 6.410 0.890 0.00 0.00 -ATOM 2337 3HZ LYS X 155 7.180 8.060 1.570 0.00 0.00 -ATOM 2338 4HZ LYS X 155 6.740 7.780 0.020 0.00 0.00 -ATOM 2339 C LYS X 155 12.870 10.760 -0.150 0.00 0.00 -ATOM 2340 O LYS X 155 13.090 11.730 0.550 0.00 0.00 -ATOM 2341 N ASN X 156 13.180 9.530 0.130 0.00 0.00 -ATOM 2342 H ASN X 156 12.700 8.840 -0.520 0.00 0.00 -ATOM 2343 CA ASN X 156 13.750 8.880 1.320 0.00 0.00 -ATOM 2344 HA ASN X 156 13.190 9.210 2.220 0.00 0.00 -ATOM 2345 CB ASN X 156 13.390 7.410 1.100 0.00 0.00 -ATOM 2346 2HB ASN X 156 13.420 7.080 0.080 0.00 0.00 -ATOM 2347 3HB ASN X 156 12.360 7.370 1.370 0.00 0.00 -ATOM 2348 CG ASN X 156 14.090 6.510 2.090 0.00 0.00 -ATOM 2349 OD1 ASN X 156 15.280 6.400 2.060 0.00 0.00 -ATOM 2350 ND2 ASN X 156 13.370 6.040 3.070 0.00 0.00 -ATOM 2351 2HD2 ASN X 156 13.780 5.410 3.710 0.00 0.00 -ATOM 2352 3HD2 ASN X 156 12.380 6.330 3.250 0.00 0.00 -ATOM 2353 C ASN X 156 15.200 9.160 1.670 0.00 0.00 -ATOM 2354 O ASN X 156 15.740 9.040 2.760 0.00 0.00 -ATOM 2355 N LEU X 157 15.920 9.780 0.790 0.00 0.00 -ATOM 2356 H LEU X 157 15.490 9.800 -0.160 0.00 0.00 -ATOM 2357 CA LEU X 157 17.230 10.420 0.920 0.00 0.00 -ATOM 2358 HA LEU X 157 17.710 10.170 1.810 0.00 0.00 -ATOM 2359 CB LEU X 157 18.120 10.090 -0.290 0.00 0.00 -ATOM 2360 2HB LEU X 157 17.440 10.370 -1.170 0.00 0.00 -ATOM 2361 3HB LEU X 157 18.210 8.980 -0.380 0.00 0.00 -ATOM 2362 CG LEU X 157 19.530 10.800 -0.470 0.00 0.00 -ATOM 2363 HG LEU X 157 19.170 11.770 -0.670 0.00 0.00 -ATOM 2364 CD1 LEU X 157 20.380 10.850 0.770 0.00 0.00 -ATOM 2365 2HD1 LEU X 157 21.050 11.660 0.600 0.00 0.00 -ATOM 2366 3HD1 LEU X 157 19.720 10.900 1.660 0.00 0.00 -ATOM 2367 4HD1 LEU X 157 20.970 9.930 0.920 0.00 0.00 -ATOM 2368 CD2 LEU X 157 20.240 10.280 -1.720 0.00 0.00 -ATOM 2369 2HD2 LEU X 157 20.780 9.410 -1.350 0.00 0.00 -ATOM 2370 3HD2 LEU X 157 19.530 9.990 -2.460 0.00 0.00 -ATOM 2371 4HD2 LEU X 157 20.860 10.990 -2.220 0.00 0.00 -ATOM 2372 C LEU X 157 17.120 11.950 0.930 0.00 0.00 -ATOM 2373 O LEU X 157 17.870 12.640 1.690 0.00 0.00 -ATOM 2374 N TYR X 158 16.060 12.570 0.400 0.00 0.00 -ATOM 2375 H TYR X 158 15.320 12.010 -0.030 0.00 0.00 -ATOM 2376 CA TYR X 158 16.160 13.950 0.010 0.00 0.00 -ATOM 2377 HA TYR X 158 17.030 14.210 -0.530 0.00 0.00 -ATOM 2378 CB TYR X 158 15.100 14.350 -1.070 0.00 0.00 -ATOM 2379 2HB TYR X 158 14.170 14.440 -0.610 0.00 0.00 -ATOM 2380 3HB TYR X 158 15.050 13.580 -1.870 0.00 0.00 -ATOM 2381 CG TYR X 158 15.360 15.510 -1.970 0.00 0.00 -ATOM 2382 CD1 TYR X 158 15.900 15.320 -3.290 0.00 0.00 -ATOM 2383 HD1 TYR X 158 16.060 14.350 -3.710 0.00 0.00 -ATOM 2384 CE1 TYR X 158 16.390 16.380 -4.080 0.00 0.00 -ATOM 2385 HE1 TYR X 158 17.030 16.160 -4.920 0.00 0.00 -ATOM 2386 CZ TYR X 158 16.200 17.750 -3.590 0.00 0.00 -ATOM 2387 OH TYR X 158 16.570 18.760 -4.430 0.00 0.00 -ATOM 2388 HH TYR X 158 16.640 19.600 -3.990 0.00 0.00 -ATOM 2389 CE2 TYR X 158 15.630 18.020 -2.330 0.00 0.00 -ATOM 2390 HE2 TYR X 158 15.600 19.010 -1.900 0.00 0.00 -ATOM 2391 CD2 TYR X 158 15.240 16.870 -1.540 0.00 0.00 -ATOM 2392 HD2 TYR X 158 14.810 17.030 -0.510 0.00 0.00 -ATOM 2393 C TYR X 158 16.060 14.850 1.280 0.00 0.00 -ATOM 2394 O TYR X 158 16.660 15.930 1.300 0.00 0.00 -ATOM 2395 N ASP X 159 15.550 14.240 2.340 0.00 0.00 -ATOM 2396 H ASP X 159 15.280 13.310 2.200 0.00 0.00 -ATOM 2397 CA ASP X 159 15.230 14.650 3.700 0.00 0.00 -ATOM 2398 HA ASP X 159 14.770 15.550 3.610 0.00 0.00 -ATOM 2399 CB ASP X 159 14.470 13.570 4.440 0.00 0.00 -ATOM 2400 2HB ASP X 159 15.110 12.700 4.480 0.00 0.00 -ATOM 2401 3HB ASP X 159 13.650 13.180 3.790 0.00 0.00 -ATOM 2402 CG ASP X 159 14.040 14.050 5.860 0.00 0.00 -ATOM 2403 OD1 ASP X 159 13.010 14.690 5.910 0.00 0.00 -ATOM 2404 OD2 ASP X 159 14.670 13.860 6.920 0.00 0.00 -ATOM 2405 C ASP X 159 16.600 14.980 4.350 0.00 0.00 -ATOM 2406 O ASP X 159 16.540 15.680 5.310 0.00 0.00 -ATOM 2407 N LYS X 160 17.780 14.610 3.830 0.00 0.00 -ATOM 2408 H LYS X 160 17.710 14.200 2.940 0.00 0.00 -ATOM 2409 CA LYS X 160 19.110 14.860 4.370 0.00 0.00 -ATOM 2410 HA LYS X 160 19.020 15.540 5.170 0.00 0.00 -ATOM 2411 CB LYS X 160 19.680 13.660 5.190 0.00 0.00 -ATOM 2412 2HB LYS X 160 18.960 13.330 5.960 0.00 0.00 -ATOM 2413 3HB LYS X 160 20.480 14.220 5.730 0.00 0.00 -ATOM 2414 CG LYS X 160 20.200 12.400 4.440 0.00 0.00 -ATOM 2415 2HG LYS X 160 21.110 12.670 3.790 0.00 0.00 -ATOM 2416 3HG LYS X 160 19.450 11.950 3.780 0.00 0.00 -ATOM 2417 CD LYS X 160 20.660 11.300 5.360 0.00 0.00 -ATOM 2418 2HD LYS X 160 20.890 10.350 4.920 0.00 0.00 -ATOM 2419 3HD LYS X 160 19.780 11.100 5.990 0.00 0.00 -ATOM 2420 CE LYS X 160 21.760 11.740 6.260 0.00 0.00 -ATOM 2421 2HE LYS X 160 21.470 12.660 6.760 0.00 0.00 -ATOM 2422 3HE LYS X 160 22.670 11.900 5.630 0.00 0.00 -ATOM 2423 NZ LYS X 160 22.200 10.640 7.170 0.00 0.00 -ATOM 2424 2HZ LYS X 160 22.100 9.640 6.800 0.00 0.00 -ATOM 2425 3HZ LYS X 160 23.230 10.760 7.330 0.00 0.00 -ATOM 2426 4HZ LYS X 160 21.670 10.650 7.980 0.00 0.00 -ATOM 2427 C LYS X 160 20.190 15.330 3.360 0.00 0.00 -ATOM 2428 O LYS X 160 21.190 16.000 3.680 0.00 0.00 -ATOM 2429 N LEU X 161 19.960 14.900 2.060 0.00 0.00 -ATOM 2430 H LEU X 161 19.200 14.300 1.810 0.00 0.00 -ATOM 2431 CA LEU X 161 20.900 15.270 0.960 0.00 0.00 -ATOM 2432 HA LEU X 161 21.730 14.580 1.180 0.00 0.00 -ATOM 2433 CB LEU X 161 20.360 14.880 -0.430 0.00 0.00 -ATOM 2434 2HB LEU X 161 19.710 15.700 -0.820 0.00 0.00 -ATOM 2435 3HB LEU X 161 19.830 13.990 -0.250 0.00 0.00 -ATOM 2436 CG LEU X 161 21.420 14.650 -1.450 0.00 0.00 -ATOM 2437 HG LEU X 161 21.980 15.600 -1.630 0.00 0.00 -ATOM 2438 CD1 LEU X 161 22.290 13.450 -1.220 0.00 0.00 -ATOM 2439 2HD1 LEU X 161 22.960 13.460 -0.380 0.00 0.00 -ATOM 2440 3HD1 LEU X 161 21.660 12.550 -1.130 0.00 0.00 -ATOM 2441 4HD1 LEU X 161 22.870 13.340 -2.050 0.00 0.00 -ATOM 2442 CD2 LEU X 161 20.630 14.300 -2.680 0.00 0.00 -ATOM 2443 2HD2 LEU X 161 20.170 13.330 -2.640 0.00 0.00 -ATOM 2444 3HD2 LEU X 161 19.910 15.070 -2.910 0.00 0.00 -ATOM 2445 4HD2 LEU X 161 21.340 14.150 -3.510 0.00 0.00 -ATOM 2446 C LEU X 161 21.380 16.780 0.910 0.00 0.00 -ATOM 2447 O LEU X 161 22.480 17.080 0.420 0.00 0.00 -ATOM 2448 N VAL X 162 20.700 17.740 1.560 0.00 0.00 -ATOM 2449 H VAL X 162 19.950 17.400 2.100 0.00 0.00 -ATOM 2450 CA VAL X 162 20.970 19.150 1.550 0.00 0.00 -ATOM 2451 HA VAL X 162 21.830 19.250 0.900 0.00 0.00 -ATOM 2452 CB VAL X 162 19.810 20.150 1.000 0.00 0.00 -ATOM 2453 HB VAL X 162 18.980 20.180 1.750 0.00 0.00 -ATOM 2454 CG1 VAL X 162 20.300 21.550 0.790 0.00 0.00 -ATOM 2455 2HG1 VAL X 162 20.770 22.080 1.640 0.00 0.00 -ATOM 2456 3HG1 VAL X 162 21.010 21.520 -0.060 0.00 0.00 -ATOM 2457 4HG1 VAL X 162 19.470 22.210 0.590 0.00 0.00 -ATOM 2458 CG2 VAL X 162 19.240 19.590 -0.280 0.00 0.00 -ATOM 2459 2HG2 VAL X 162 18.580 20.290 -0.720 0.00 0.00 -ATOM 2460 3HG2 VAL X 162 20.000 19.450 -1.020 0.00 0.00 -ATOM 2461 4HG2 VAL X 162 18.770 18.630 -0.230 0.00 0.00 -ATOM 2462 C VAL X 162 21.380 19.630 2.910 0.00 0.00 -ATOM 2463 O VAL X 162 22.180 20.540 2.960 0.00 0.00 -ATOM 2464 N SER X 163 21.160 18.930 4.030 0.00 0.00 -ATOM 2465 H SER X 163 20.260 18.460 4.050 0.00 0.00 -ATOM 2466 CA SER X 163 21.720 19.300 5.340 0.00 0.00 -ATOM 2467 HA SER X 163 21.740 20.420 5.460 0.00 0.00 -ATOM 2468 CB SER X 163 20.690 19.010 6.350 0.00 0.00 -ATOM 2469 2HB SER X 163 21.050 19.230 7.320 0.00 0.00 -ATOM 2470 3HB SER X 163 20.530 17.980 6.360 0.00 0.00 -ATOM 2471 OG SER X 163 19.450 19.660 6.130 0.00 0.00 -ATOM 2472 HG SER X 163 19.450 20.330 6.790 0.00 0.00 -ATOM 2473 C SER X 163 22.890 18.550 5.830 0.00 0.00 -ATOM 2474 O SER X 163 23.720 19.060 6.560 0.00 0.00 -ATOM 2475 N SER X 164 23.090 17.320 5.360 0.00 0.00 -ATOM 2476 H SER X 164 22.370 16.890 4.780 0.00 0.00 -ATOM 2477 CA SER X 164 24.360 16.600 5.410 0.00 0.00 -ATOM 2478 HA SER X 164 24.720 16.460 6.370 0.00 0.00 -ATOM 2479 CB SER X 164 24.230 15.260 4.770 0.00 0.00 -ATOM 2480 2HB SER X 164 25.140 14.820 5.040 0.00 0.00 -ATOM 2481 3HB SER X 164 24.080 15.440 3.700 0.00 0.00 -ATOM 2482 OG SER X 164 23.180 14.500 5.320 0.00 0.00 -ATOM 2483 HG SER X 164 23.420 14.390 6.280 0.00 0.00 -ATOM 2484 C SER X 164 25.480 17.270 4.620 0.00 0.00 -ATOM 2485 O SER X 164 26.640 16.890 4.880 0.00 0.00 -ATOM 2486 N PHE X 165 25.170 18.320 3.860 0.00 0.00 -ATOM 2487 H PHE X 165 24.180 18.550 3.760 0.00 0.00 -ATOM 2488 CA PHE X 165 26.040 18.900 2.720 0.00 0.00 -ATOM 2489 HA PHE X 165 26.670 18.020 2.430 0.00 0.00 -ATOM 2490 CB PHE X 165 25.240 19.190 1.460 0.00 0.00 -ATOM 2491 2HB PHE X 165 24.520 19.950 1.640 0.00 0.00 -ATOM 2492 3HB PHE X 165 24.700 18.320 1.360 0.00 0.00 -ATOM 2493 CG PHE X 165 25.960 19.580 0.160 0.00 0.00 -ATOM 2494 CD1 PHE X 165 25.780 18.750 -0.940 0.00 0.00 -ATOM 2495 HD1 PHE X 165 25.210 17.860 -0.780 0.00 0.00 -ATOM 2496 CE1 PHE X 165 26.570 19.000 -2.070 0.00 0.00 -ATOM 2497 HE1 PHE X 165 26.670 18.180 -2.760 0.00 0.00 -ATOM 2498 CZ PHE X 165 27.480 20.060 -2.170 0.00 0.00 -ATOM 2499 HZ PHE X 165 28.150 20.140 -2.990 0.00 0.00 -ATOM 2500 CE2 PHE X 165 27.570 20.920 -1.090 0.00 0.00 -ATOM 2501 HE2 PHE X 165 28.310 21.750 -1.170 0.00 0.00 -ATOM 2502 CD2 PHE X 165 26.790 20.710 0.070 0.00 0.00 -ATOM 2503 HD2 PHE X 165 27.010 21.270 0.930 0.00 0.00 -ATOM 2504 C PHE X 165 26.790 20.070 3.330 0.00 0.00 -ATOM 2505 O PHE X 165 28.000 20.160 3.140 0.00 0.00 -ATOM 2506 N LEU X 166 26.230 20.770 4.350 0.00 0.00 -ATOM 2507 H LEU X 166 25.280 20.650 4.560 0.00 0.00 -ATOM 2508 CA LEU X 166 26.900 21.740 5.230 0.00 0.00 -ATOM 2509 HA LEU X 166 27.540 22.330 4.620 0.00 0.00 -ATOM 2510 CB LEU X 166 25.720 22.610 5.780 0.00 0.00 -ATOM 2511 2HB LEU X 166 26.090 23.140 6.590 0.00 0.00 -ATOM 2512 3HB LEU X 166 24.870 22.110 6.090 0.00 0.00 -ATOM 2513 CG LEU X 166 25.330 23.740 4.720 0.00 0.00 -ATOM 2514 HG LEU X 166 25.110 23.240 3.750 0.00 0.00 -ATOM 2515 CD1 LEU X 166 24.080 24.620 4.990 0.00 0.00 -ATOM 2516 2HD1 LEU X 166 24.070 25.490 4.420 0.00 0.00 -ATOM 2517 3HD1 LEU X 166 23.230 23.930 4.780 0.00 0.00 -ATOM 2518 4HD1 LEU X 166 24.060 24.990 6.050 0.00 0.00 -ATOM 2519 CD2 LEU X 166 26.480 24.780 4.760 0.00 0.00 -ATOM 2520 2HD2 LEU X 166 26.430 25.320 5.690 0.00 0.00 -ATOM 2521 3HD2 LEU X 166 27.480 24.340 4.510 0.00 0.00 -ATOM 2522 4HD2 LEU X 166 26.210 25.450 3.960 0.00 0.00 -ATOM 2523 C LEU X 166 27.810 21.100 6.360 0.00 0.00 -ATOM 2524 O LEU X 166 28.360 21.750 7.220 0.00 0.00 -ATOM 2525 N GLU X 167 27.990 19.770 6.320 0.00 0.00 -ATOM 2526 H GLU X 167 27.380 19.270 5.660 0.00 0.00 -ATOM 2527 CA GLU X 167 28.350 19.000 7.500 0.00 0.00 -ATOM 2528 HA GLU X 167 28.900 19.650 8.160 0.00 0.00 -ATOM 2529 CB GLU X 167 27.040 18.630 8.240 0.00 0.00 -ATOM 2530 2HB GLU X 167 26.670 17.670 7.950 0.00 0.00 -ATOM 2531 3HB GLU X 167 26.280 19.380 8.020 0.00 0.00 -ATOM 2532 CG GLU X 167 27.070 18.590 9.750 0.00 0.00 -ATOM 2533 2HG GLU X 167 26.060 18.380 10.040 0.00 0.00 -ATOM 2534 3HG GLU X 167 27.210 19.640 10.100 0.00 0.00 -ATOM 2535 CD GLU X 167 28.010 17.580 10.430 0.00 0.00 -ATOM 2536 OE1 GLU X 167 27.560 16.460 10.790 0.00 0.00 -ATOM 2537 OE2 GLU X 167 29.120 17.890 10.870 0.00 0.00 -ATOM 2538 C GLU X 167 29.280 17.780 7.340 0.00 0.00 -ATOM 2539 O GLU X 167 29.310 16.740 8.010 0.00 0.00 -ATOM 2540 N MET X 168 30.210 17.980 6.380 0.00 0.00 -ATOM 2541 H MET X 168 29.970 18.780 5.820 0.00 0.00 -ATOM 2542 CA MET X 168 31.010 16.860 5.770 0.00 0.00 -ATOM 2543 HA MET X 168 30.380 16.020 5.840 0.00 0.00 -ATOM 2544 CB MET X 168 31.370 17.210 4.370 0.00 0.00 -ATOM 2545 2HB MET X 168 31.680 16.330 3.870 0.00 0.00 -ATOM 2546 3HB MET X 168 32.160 17.990 4.280 0.00 0.00 -ATOM 2547 CG MET X 168 30.330 17.920 3.510 0.00 0.00 -ATOM 2548 2HG MET X 168 30.820 18.520 2.770 0.00 0.00 -ATOM 2549 3HG MET X 168 29.720 18.620 4.050 0.00 0.00 -ATOM 2550 SD MET X 168 29.260 16.840 2.660 0.00 0.00 -ATOM 2551 CE MET X 168 29.400 17.370 0.940 0.00 0.00 -ATOM 2552 2HE MET X 168 28.580 18.110 0.750 0.00 0.00 -ATOM 2553 3HE MET X 168 30.310 17.960 0.750 0.00 0.00 -ATOM 2554 4HE MET X 168 29.350 16.500 0.290 0.00 0.00 -ATOM 2555 C MET X 168 32.300 16.620 6.620 0.00 0.00 -ATOM 2556 O MET X 168 33.040 15.640 6.290 0.00 0.00 -ATOM 2557 N LYS X 169 32.680 17.450 7.570 0.00 0.00 -ATOM 2558 H LYS X 169 32.120 18.230 7.790 0.00 0.00 -ATOM 2559 CA LYS X 169 33.910 17.310 8.320 0.00 0.00 -ATOM 2560 HA LYS X 169 34.310 16.350 8.470 0.00 0.00 -ATOM 2561 CB LYS X 169 34.940 18.150 7.530 0.00 0.00 -ATOM 2562 2HB LYS X 169 35.720 18.510 8.180 0.00 0.00 -ATOM 2563 3HB LYS X 169 34.590 19.160 7.300 0.00 0.00 -ATOM 2564 CG LYS X 169 35.520 17.440 6.340 0.00 0.00 -ATOM 2565 2HG LYS X 169 34.860 17.420 5.480 0.00 0.00 -ATOM 2566 3HG LYS X 169 35.830 16.460 6.620 0.00 0.00 -ATOM 2567 CD LYS X 169 36.790 18.230 5.880 0.00 0.00 -ATOM 2568 2HD LYS X 169 37.640 18.030 6.570 0.00 0.00 -ATOM 2569 3HD LYS X 169 36.670 19.310 5.870 0.00 0.00 -ATOM 2570 CE LYS X 169 37.150 17.450 4.690 0.00 0.00 -ATOM 2571 2HE LYS X 169 36.150 17.330 4.180 0.00 0.00 -ATOM 2572 3HE LYS X 169 37.500 16.480 5.120 0.00 0.00 -ATOM 2573 NZ LYS X 169 38.280 17.940 3.860 0.00 0.00 -ATOM 2574 2HZ LYS X 169 38.060 18.670 3.210 0.00 0.00 -ATOM 2575 3HZ LYS X 169 39.120 18.300 4.420 0.00 0.00 -ATOM 2576 4HZ LYS X 169 38.750 17.290 3.210 0.00 0.00 -ATOM 2577 C LYS X 169 33.750 17.840 9.770 0.00 0.00 -ATOM 2578 O LYS X 169 33.350 18.980 9.880 0.00 0.00 -ATOM 2579 N SER X 170 34.150 17.070 10.840 0.00 0.00 -ATOM 2580 H SER X 170 34.440 16.110 10.490 0.00 0.00 -ATOM 2581 CA SER X 170 33.990 17.320 12.320 0.00 0.00 -ATOM 2582 HA SER X 170 34.130 16.390 12.810 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133 42 32 33 35 0 0 - 0 0.000000 0.00000E+00 - 134 42 32 33 39 0 0 - 0 0.000000 0.00000E+00 - 135 31 33 35 34 0 0 - 0 0.000000 0.00000E+00 - 136 31 33 35 36 0 0 - 0 0.000000 0.00000E+00 - 137 31 33 35 38 0 0 - 0 0.000000 0.00000E+00 - 138 32 33 35 34 0 0 - 0 0.000000 0.00000E+00 - 139 32 33 35 36 0 0 - 0 0.000000 0.00000E+00 - 140 32 33 35 38 0 0 - 0 0.000000 0.00000E+00 - 141 39 33 35 34 0 0 - 0 0.000000 0.00000E+00 - 142 39 33 35 36 0 0 - 0 0.000000 0.00000E+00 - 143 39 33 35 38 0 0 - 0 0.000000 0.00000E+00 - 144 41 34 35 33 0 0 - 0 0.000000 0.00000E+00 - 145 41 34 35 36 0 0 - 0 0.000000 0.00000E+00 - 146 41 34 35 38 0 0 - 0 0.000000 0.00000E+00 - 147 33 35 36 28 0 0 - 0 0.000000 0.00000E+00 - 148 33 35 36 29 0 0 - 0 0.000000 0.00000E+00 - 149 33 35 36 37 0 0 - 0 0.000000 0.00000E+00 - 150 34 35 36 28 0 0 - 0 0.000000 0.00000E+00 - 151 34 35 36 29 0 0 - 0 0.000000 0.00000E+00 - 152 34 35 36 37 0 0 - 0 0.000000 0.00000E+00 - 153 38 35 36 28 0 0 - 0 0.000000 0.00000E+00 - 154 38 35 36 29 0 0 - 0 0.000000 0.00000E+00 - 155 38 35 36 37 0 0 - 0 0.000000 0.00000E+00 - 1 1 3 2 53 0 0 - 0 0.000000 0.00000E+00 - 2 5 7 6 1 0 0 - 0 0.000000 0.00000E+00 - 3 6 51 7 52 0 0 - 0 0.000000 0.00000E+00 - 4 10 8 9 50 0 0 - 0 0.000000 0.00000E+00 - 5 11 9 10 4 0 0 - 0 0.000000 0.00000E+00 diff --git a/data/7cz4/system/amber.par b/data/7cz4/system/amber.par deleted file mode 100644 index b042a06..0000000 --- a/data/7cz4/system/amber.par +++ /dev/null @@ -1,14 +0,0 @@ -This is the AMBER96 user defined parameter file for NWChem 3.2 and ARGOS 7.0 -Electrostatic 1-4 scaling factor 0.833333 -Relative dielectric constant 1.000000 -Parameters epsilon R* -Atoms -Cross -Bonds -Angles -OH -CT -OS 1.91114 4.18400E+02 hvd201026 copy N*-CT-OS -OH -CT -H2 1.91114 4.18400E+02 hvd201026 copy H2-CT-OS -Proper dihedrals -Improper dihedrals -Atom types -End diff --git a/data/bba/1FME-folded.pdb b/data/bba/1FME-folded.pdb deleted file mode 100644 index 5879c3d..0000000 --- a/data/bba/1FME-folded.pdb +++ /dev/null @@ -1,17620 +0,0 @@ -HEADER DE NOVO PROTEIN 16-AUG-00 1FME -TITLE SOLUTION STRUCTURE OF FSD-EY, A NOVEL PEPTIDE ASSUMING A -TITLE 2 BETA-BETA-ALPHA FOLD -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: FSD-EY PEPTIDE; -COMPND 3 CHAIN: A; -COMPND 4 ENGINEERED: YES -SOURCE MOL_ID: 1; -SOURCE 2 SYNTHETIC: YES; -SOURCE 3 OTHER_DETAILS: POINT MUTANT OF SEQUENCE GENERATED BY ORBIT -SOURCE 4 DESIGN PROCESS -KEYWDS BETA-BETA-ALPHA, ZINC FINGER, FSD-1, DESIGNED PROTEIN, DE -KEYWDS 2 NOVO PROTEIN -EXPDTA SOLUTION NMR -NUMMDL 34 -AUTHOR C.A.SARISKY,S.L.MAYO -REVDAT 2 24-FEB-09 1FME 1 VERSN -REVDAT 1 21-APR-01 1FME 0 -JRNL AUTH C.A.SARISKY,S.L.MAYO -JRNL TITL THE BETA-BETA-ALPHA FOLD: EXPLORATIONS IN SEQUENCE -JRNL TITL 2 SPACE. -JRNL REF J.MOL.BIOL. V. 307 1411 2001 -JRNL REFN ISSN 0022-2836 -JRNL PMID 11292351 -JRNL DOI 10.1006/JMBI.2000.4345 -REMARK 1 -REMARK 2 -REMARK 2 RESOLUTION. NOT APPLICABLE. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : X-PLOR 3.857 -REMARK 3 AUTHORS : BRUNGER -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1FME COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-AUG-00. -REMARK 100 THE RCSB ID CODE IS RCSB011711. -REMARK 210 -REMARK 210 EXPERIMENTAL DETAILS -REMARK 210 EXPERIMENT TYPE : NMR -REMARK 210 TEMPERATURE (KELVIN) : 280 -REMARK 210 PH : 5.0 -REMARK 210 IONIC STRENGTH : NULL -REMARK 210 PRESSURE : AMBIENT -REMARK 210 SAMPLE CONTENTS : 2 MM PEPTIDE; 2 MM PEPTIDE -REMARK 210 -REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, DQF-COSY, TOCSY -REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ -REMARK 210 SPECTROMETER MODEL : UNITYPLUS -REMARK 210 SPECTROMETER MANUFACTURER : VARIAN -REMARK 210 -REMARK 210 STRUCTURE DETERMINATION. -REMARK 210 SOFTWARE USED : ANSIG, VNMR 6.1 -REMARK 210 METHOD USED : X-PLOR: DISTANCE GEOMETRY, -REMARK 210 REFINEMENT -REMARK 210 -REMARK 210 CONFORMERS, NUMBER CALCULATED : 49 -REMARK 210 CONFORMERS, NUMBER SUBMITTED : 34 -REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST -REMARK 210 RESTRAINT VIOLATIONS -REMARK 210 -REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL -REMARK 210 -REMARK 210 REMARK: NULL -REMARK 215 -REMARK 215 NMR STUDY -REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION -REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT -REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON -REMARK 215 THESE RECORDS ARE MEANINGLESS. -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 1 TYR A 7 -68.79 -126.50 -REMARK 500 1 LYS A 8 59.16 -118.77 -REMARK 500 1 PHE A 21 -74.37 -68.42 -REMARK 500 2 TYR A 3 153.35 -48.62 -REMARK 500 2 THR A 4 31.46 -98.45 -REMARK 500 2 TYR A 7 -68.65 -124.11 -REMARK 500 2 LYS A 8 60.97 -115.62 -REMARK 500 2 PHE A 21 -73.17 -64.51 -REMARK 500 3 TYR A 3 154.82 -49.72 -REMARK 500 3 TYR A 7 -64.92 -124.37 -REMARK 500 3 PHE A 21 -73.89 -63.47 -REMARK 500 4 TYR A 7 -77.44 -126.49 -REMARK 500 4 LYS A 8 53.61 -109.76 -REMARK 500 5 ASN A 14 121.44 -170.73 -REMARK 500 5 PHE A 21 -74.56 -68.78 -REMARK 500 6 PHE A 21 -75.78 -71.17 -REMARK 500 8 TYR A 3 171.06 -50.29 -REMARK 500 8 ASN A 14 130.87 -175.09 -REMARK 500 8 GLU A 17 -70.07 -61.47 -REMARK 500 9 THR A 4 54.14 -107.27 -REMARK 500 9 ALA A 5 -162.36 -58.54 -REMARK 500 9 LYS A 6 150.70 176.87 -REMARK 500 9 TYR A 7 -44.05 -142.30 -REMARK 500 9 PHE A 21 -73.79 -69.30 -REMARK 500 10 GLN A 2 -164.24 -104.78 -REMARK 500 10 TYR A 3 162.25 -47.30 -REMARK 500 10 PHE A 21 -73.65 -64.74 -REMARK 500 11 GLN A 2 -168.74 -108.92 -REMARK 500 11 TYR A 3 162.88 -47.49 -REMARK 500 11 PHE A 21 -74.66 -63.63 -REMARK 500 12 THR A 4 42.82 -109.43 -REMARK 500 12 PHE A 21 -73.10 -65.62 -REMARK 500 13 TYR A 7 -63.24 -139.55 -REMARK 500 14 TYR A 3 179.12 -54.52 -REMARK 500 14 TYR A 7 -77.50 -125.41 -REMARK 500 14 LYS A 8 54.48 -118.15 -REMARK 500 14 PHE A 25 -96.24 -59.33 -REMARK 500 14 LYS A 26 -70.10 -151.86 -REMARK 500 15 TYR A 3 176.71 -51.74 -REMARK 500 15 TYR A 7 -75.71 -125.79 -REMARK 500 15 LYS A 8 55.95 -118.54 -REMARK 500 15 PHE A 25 -95.04 -55.15 -REMARK 500 15 LYS A 26 -62.25 -151.45 -REMARK 500 16 TYR A 7 -54.50 -124.39 -REMARK 500 16 PHE A 25 -93.56 -50.13 -REMARK 500 16 LYS A 26 -65.71 -147.39 -REMARK 500 17 TYR A 3 165.34 -49.53 -REMARK 500 17 PHE A 21 -73.90 -69.56 -REMARK 500 18 TYR A 3 -170.39 -69.44 -REMARK 500 18 THR A 4 -71.39 -108.25 -REMARK 500 18 ALA A 5 111.22 48.54 -REMARK 500 18 TYR A 7 -79.24 -123.99 -REMARK 500 18 LYS A 8 59.41 -113.07 -REMARK 500 19 THR A 4 -77.67 -110.20 -REMARK 500 19 ALA A 5 110.43 54.79 -REMARK 500 19 ASN A 14 139.67 -170.77 -REMARK 500 19 PHE A 21 -76.11 -66.02 -REMARK 500 20 THR A 4 -75.10 -111.24 -REMARK 500 20 ALA A 5 117.11 55.70 -REMARK 500 20 ASN A 14 133.33 -175.45 -REMARK 500 20 PHE A 21 -74.25 -67.02 -REMARK 500 21 THR A 4 57.90 -108.52 -REMARK 500 21 ALA A 5 -162.41 -59.06 -REMARK 500 21 LYS A 6 142.76 176.04 -REMARK 500 21 LYS A 8 -62.77 68.21 -REMARK 500 21 PHE A 21 -73.93 -68.92 -REMARK 500 21 PHE A 25 67.64 -111.10 -REMARK 500 22 TYR A 3 160.13 -47.71 -REMARK 500 22 PHE A 21 -74.24 -80.86 -REMARK 500 22 PHE A 25 -92.15 -59.57 -REMARK 500 22 LYS A 26 -63.85 -153.43 -REMARK 500 23 GLN A 2 -156.06 -95.69 -REMARK 500 23 TYR A 3 144.21 -28.40 -REMARK 500 23 THR A 4 27.52 -158.19 -REMARK 500 23 LYS A 8 57.95 -154.03 -REMARK 500 23 PHE A 21 -74.17 -58.78 -REMARK 500 24 PHE A 21 -73.64 -67.87 -REMARK 500 24 PHE A 25 -91.95 -56.22 -REMARK 500 24 LYS A 26 -62.34 -147.63 -REMARK 500 25 GLN A 2 -156.19 -163.37 -REMARK 500 25 TYR A 3 141.39 -25.25 -REMARK 500 25 THR A 4 25.23 -156.18 -REMARK 500 25 TYR A 7 -60.13 -126.70 -REMARK 500 26 TYR A 3 171.80 -54.99 -REMARK 500 26 ASN A 14 137.84 -171.23 -REMARK 500 26 PHE A 25 -94.84 -49.00 -REMARK 500 26 LYS A 26 -67.64 -152.13 -REMARK 500 27 GLN A 2 -154.84 -158.76 -REMARK 500 27 TYR A 3 137.47 -30.02 -REMARK 500 27 THR A 4 25.71 -158.26 -REMARK 500 27 LYS A 8 57.67 -154.21 -REMARK 500 27 ARG A 13 30.52 -98.35 -REMARK 500 27 PHE A 21 -73.44 -61.23 -REMARK 500 27 PHE A 25 65.12 -102.85 -REMARK 500 28 GLN A 2 -156.39 -161.05 -REMARK 500 28 TYR A 3 137.87 -22.67 -REMARK 500 28 THR A 4 24.11 -156.47 -REMARK 500 28 TYR A 7 -68.03 -125.72 -REMARK 500 28 LYS A 8 51.44 -108.08 -REMARK 500 28 PHE A 21 -72.78 -60.26 -REMARK 500 28 PHE A 25 47.62 -91.79 -REMARK 500 29 GLN A 2 -157.44 -137.95 -REMARK 500 29 TYR A 3 145.64 -27.26 -REMARK 500 29 THR A 4 21.88 -155.81 -REMARK 500 29 PHE A 21 -74.73 -72.18 -REMARK 500 30 GLN A 2 -158.25 53.75 -REMARK 500 30 TYR A 3 136.36 -15.23 -REMARK 500 30 THR A 4 21.65 -153.65 -REMARK 500 30 PHE A 21 -75.02 -62.59 -REMARK 500 31 GLN A 2 174.12 55.23 -REMARK 500 31 TYR A 3 175.57 -52.30 -REMARK 500 31 PHE A 25 -98.38 -54.54 -REMARK 500 31 LYS A 26 -46.86 -153.56 -REMARK 500 32 GLN A 2 -157.81 -140.11 -REMARK 500 32 TYR A 3 140.22 -21.01 -REMARK 500 32 THR A 4 21.45 -155.27 -REMARK 500 32 ALA A 5 -161.48 -62.34 -REMARK 500 32 LYS A 6 -27.66 -177.55 -REMARK 500 32 TYR A 7 -89.55 54.16 -REMARK 500 32 LYS A 8 -60.46 -94.16 -REMARK 500 33 TYR A 3 -155.39 30.54 -REMARK 500 33 THR A 4 33.67 93.92 -REMARK 500 33 TYR A 7 -67.93 -124.44 -REMARK 500 34 TYR A 3 -155.48 29.90 -REMARK 500 34 THR A 4 35.74 89.03 -REMARK 500 34 PHE A 21 -73.10 -64.52 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: PLANAR GROUPS -REMARK 500 -REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL -REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE -REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN -REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS -REMARK 500 AN RMSD GREATER THAN THIS VALUE -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 M RES CSSEQI RMS TYPE -REMARK 500 1 ARG A 10 0.29 SIDE_CHAIN -REMARK 500 1 ARG A 13 0.32 SIDE_CHAIN -REMARK 500 1 ARG A 19 0.21 SIDE_CHAIN -REMARK 500 1 ARG A 28 0.32 SIDE_CHAIN -REMARK 500 2 ARG A 10 0.26 SIDE_CHAIN -REMARK 500 2 ARG A 13 0.25 SIDE_CHAIN -REMARK 500 2 ARG A 19 0.29 SIDE_CHAIN -REMARK 500 2 ARG A 28 0.21 SIDE_CHAIN -REMARK 500 3 ARG A 10 0.28 SIDE_CHAIN -REMARK 500 3 ARG A 13 0.30 SIDE_CHAIN -REMARK 500 3 ARG A 19 0.29 SIDE_CHAIN -REMARK 500 3 ARG A 28 0.21 SIDE_CHAIN -REMARK 500 4 ARG A 10 0.22 SIDE_CHAIN -REMARK 500 4 ARG A 13 0.24 SIDE_CHAIN -REMARK 500 4 ARG A 19 0.20 SIDE_CHAIN -REMARK 500 4 ARG A 28 0.29 SIDE_CHAIN -REMARK 500 5 ARG A 10 0.31 SIDE_CHAIN -REMARK 500 5 ARG A 13 0.23 SIDE_CHAIN -REMARK 500 5 ARG A 19 0.31 SIDE_CHAIN -REMARK 500 5 ARG A 28 0.31 SIDE_CHAIN -REMARK 500 6 ARG A 10 0.28 SIDE_CHAIN -REMARK 500 6 ARG A 13 0.21 SIDE_CHAIN -REMARK 500 6 ARG A 19 0.23 SIDE_CHAIN -REMARK 500 6 ARG A 28 0.23 SIDE_CHAIN -REMARK 500 7 ARG A 10 0.28 SIDE_CHAIN -REMARK 500 7 ARG A 13 0.26 SIDE_CHAIN -REMARK 500 7 ARG A 19 0.28 SIDE_CHAIN -REMARK 500 7 ARG A 28 0.32 SIDE_CHAIN -REMARK 500 8 ARG A 10 0.22 SIDE_CHAIN -REMARK 500 8 ARG A 13 0.30 SIDE_CHAIN -REMARK 500 8 ARG A 19 0.29 SIDE_CHAIN -REMARK 500 8 ARG A 28 0.28 SIDE_CHAIN -REMARK 500 9 ARG A 10 0.21 SIDE_CHAIN -REMARK 500 9 ARG A 13 0.29 SIDE_CHAIN -REMARK 500 9 ARG A 19 0.32 SIDE_CHAIN -REMARK 500 9 ARG A 28 0.28 SIDE_CHAIN -REMARK 500 10 ARG A 10 0.29 SIDE_CHAIN -REMARK 500 10 ARG A 13 0.31 SIDE_CHAIN -REMARK 500 10 ARG A 19 0.23 SIDE_CHAIN -REMARK 500 10 ARG A 28 0.31 SIDE_CHAIN -REMARK 500 11 ARG A 10 0.32 SIDE_CHAIN -REMARK 500 11 ARG A 13 0.27 SIDE_CHAIN -REMARK 500 11 ARG A 19 0.21 SIDE_CHAIN -REMARK 500 11 ARG A 28 0.32 SIDE_CHAIN -REMARK 500 12 ARG A 10 0.30 SIDE_CHAIN -REMARK 500 12 ARG A 13 0.32 SIDE_CHAIN -REMARK 500 12 ARG A 19 0.30 SIDE_CHAIN -REMARK 500 12 ARG A 28 0.32 SIDE_CHAIN -REMARK 500 13 ARG A 10 0.21 SIDE_CHAIN -REMARK 500 13 ARG A 13 0.27 SIDE_CHAIN -REMARK 500 13 ARG A 19 0.23 SIDE_CHAIN -REMARK 500 13 ARG A 28 0.22 SIDE_CHAIN -REMARK 500 14 ARG A 10 0.27 SIDE_CHAIN -REMARK 500 14 ARG A 13 0.23 SIDE_CHAIN -REMARK 500 14 ARG A 19 0.22 SIDE_CHAIN -REMARK 500 14 ARG A 28 0.32 SIDE_CHAIN -REMARK 500 15 ARG A 10 0.28 SIDE_CHAIN -REMARK 500 15 ARG A 13 0.25 SIDE_CHAIN -REMARK 500 15 ARG A 19 0.32 SIDE_CHAIN -REMARK 500 15 ARG A 28 0.29 SIDE_CHAIN -REMARK 500 16 ARG A 10 0.21 SIDE_CHAIN -REMARK 500 16 ARG A 13 0.27 SIDE_CHAIN -REMARK 500 16 ARG A 19 0.32 SIDE_CHAIN -REMARK 500 16 ARG A 28 0.22 SIDE_CHAIN -REMARK 500 17 ARG A 10 0.23 SIDE_CHAIN -REMARK 500 17 ARG A 13 0.23 SIDE_CHAIN -REMARK 500 17 ARG A 19 0.28 SIDE_CHAIN -REMARK 500 17 ARG A 28 0.26 SIDE_CHAIN -REMARK 500 18 ARG A 10 0.21 SIDE_CHAIN -REMARK 500 18 ARG A 13 0.21 SIDE_CHAIN -REMARK 500 18 ARG A 19 0.31 SIDE_CHAIN -REMARK 500 18 ARG A 28 0.21 SIDE_CHAIN -REMARK 500 19 ARG A 10 0.32 SIDE_CHAIN -REMARK 500 19 ARG A 13 0.24 SIDE_CHAIN -REMARK 500 19 ARG A 19 0.32 SIDE_CHAIN -REMARK 500 19 ARG A 28 0.30 SIDE_CHAIN -REMARK 500 20 ARG A 10 0.30 SIDE_CHAIN -REMARK 500 20 ARG A 13 0.32 SIDE_CHAIN -REMARK 500 20 ARG A 19 0.20 SIDE_CHAIN -REMARK 500 20 ARG A 28 0.23 SIDE_CHAIN -REMARK 500 21 ARG A 10 0.31 SIDE_CHAIN -REMARK 500 21 ARG A 13 0.23 SIDE_CHAIN -REMARK 500 21 ARG A 19 0.30 SIDE_CHAIN -REMARK 500 21 ARG A 28 0.24 SIDE_CHAIN -REMARK 500 22 ARG A 10 0.32 SIDE_CHAIN -REMARK 500 22 ARG A 13 0.27 SIDE_CHAIN -REMARK 500 22 ARG A 19 0.31 SIDE_CHAIN -REMARK 500 22 ARG A 28 0.29 SIDE_CHAIN -REMARK 500 23 ARG A 10 0.29 SIDE_CHAIN -REMARK 500 23 ARG A 13 0.32 SIDE_CHAIN -REMARK 500 23 ARG A 19 0.28 SIDE_CHAIN -REMARK 500 23 ARG A 28 0.27 SIDE_CHAIN -REMARK 500 24 ARG A 10 0.25 SIDE_CHAIN -REMARK 500 24 ARG A 13 0.23 SIDE_CHAIN -REMARK 500 24 ARG A 19 0.27 SIDE_CHAIN -REMARK 500 24 ARG A 28 0.32 SIDE_CHAIN -REMARK 500 25 ARG A 10 0.28 SIDE_CHAIN -REMARK 500 25 ARG A 13 0.30 SIDE_CHAIN -REMARK 500 25 ARG A 19 0.32 SIDE_CHAIN -REMARK 500 25 ARG A 28 0.30 SIDE_CHAIN -REMARK 500 26 ARG A 10 0.23 SIDE_CHAIN -REMARK 500 26 ARG A 13 0.25 SIDE_CHAIN -REMARK 500 26 ARG A 19 0.28 SIDE_CHAIN -REMARK 500 26 ARG A 28 0.31 SIDE_CHAIN -REMARK 500 27 ARG A 10 0.24 SIDE_CHAIN -REMARK 500 27 ARG A 13 0.29 SIDE_CHAIN -REMARK 500 27 ARG A 19 0.32 SIDE_CHAIN -REMARK 500 27 ARG A 28 0.28 SIDE_CHAIN -REMARK 500 28 ARG A 10 0.32 SIDE_CHAIN -REMARK 500 28 ARG A 13 0.32 SIDE_CHAIN -REMARK 500 28 ARG A 19 0.25 SIDE_CHAIN -REMARK 500 28 ARG A 28 0.26 SIDE_CHAIN -REMARK 500 29 ARG A 10 0.27 SIDE_CHAIN -REMARK 500 29 ARG A 13 0.30 SIDE_CHAIN -REMARK 500 29 ARG A 19 0.28 SIDE_CHAIN -REMARK 500 29 ARG A 28 0.23 SIDE_CHAIN -REMARK 500 30 ARG A 10 0.32 SIDE_CHAIN -REMARK 500 30 ARG A 13 0.23 SIDE_CHAIN -REMARK 500 30 ARG A 19 0.31 SIDE_CHAIN -REMARK 500 30 ARG A 28 0.27 SIDE_CHAIN -REMARK 500 31 ARG A 10 0.32 SIDE_CHAIN -REMARK 500 31 ARG A 13 0.27 SIDE_CHAIN -REMARK 500 31 ARG A 19 0.29 SIDE_CHAIN -REMARK 500 31 ARG A 28 0.25 SIDE_CHAIN -REMARK 500 32 ARG A 10 0.26 SIDE_CHAIN -REMARK 500 32 ARG A 13 0.22 SIDE_CHAIN -REMARK 500 32 ARG A 19 0.31 SIDE_CHAIN -REMARK 500 32 ARG A 28 0.30 SIDE_CHAIN -REMARK 500 33 ARG A 10 0.32 SIDE_CHAIN -REMARK 500 33 ARG A 13 0.27 SIDE_CHAIN -REMARK 500 33 ARG A 19 0.25 SIDE_CHAIN -REMARK 500 33 ARG A 28 0.26 SIDE_CHAIN -REMARK 500 34 ARG A 10 0.29 SIDE_CHAIN -REMARK 500 34 ARG A 13 0.30 SIDE_CHAIN -REMARK 500 34 ARG A 19 0.31 SIDE_CHAIN -REMARK 500 34 ARG A 28 0.28 SIDE_CHAIN -REMARK 500 -REMARK 500 REMARK: NULL -DBREF 1FME A 1 28 PDB 1FME 1FME 1 28 -SEQRES 1 A 28 GLU GLN TYR THR ALA LYS TYR LYS GLY ARG THR PHE ARG -SEQRES 2 A 28 ASN GLU LYS GLU LEU ARG ASP PHE ILE GLU LYS PHE LYS -SEQRES 3 A 28 GLY ARG -HELIX 1 1 ASN A 14 PHE A 25 1 12 -SHEET 1 A 2 ALA A 5 LYS A 6 0 -SHEET 2 A 2 THR A 11 PHE A 12 -1 N PHE A 12 O ALA A 5 -CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 -ORIGX1 1.000000 0.000000 0.000000 0.00000 -ORIGX2 0.000000 1.000000 0.000000 0.00000 -ORIGX3 0.000000 0.000000 1.000000 0.00000 -SCALE1 1.000000 0.000000 0.000000 0.00000 -SCALE2 0.000000 1.000000 0.000000 0.00000 -SCALE3 0.000000 0.000000 1.000000 0.00000 -MODEL 1 -ATOM 1 N GLU A 1 -14.196 7.703 4.296 1.00 0.00 N -ATOM 2 CA GLU A 1 -13.829 6.504 3.488 1.00 0.00 C -ATOM 3 C GLU A 1 -12.882 6.904 2.352 1.00 0.00 C -ATOM 4 O GLU A 1 -13.313 7.259 1.271 1.00 0.00 O -ATOM 5 CB GLU A 1 -15.154 5.986 2.925 1.00 0.00 C -ATOM 6 CG GLU A 1 -15.153 4.456 2.939 1.00 0.00 C -ATOM 7 CD GLU A 1 -15.672 3.955 4.287 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -15.276 4.514 5.297 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -16.456 3.020 4.288 1.00 0.00 O -ATOM 10 H1 GLU A 1 -14.723 7.404 5.141 1.00 0.00 H -ATOM 11 H2 GLU A 1 -14.788 8.339 3.723 1.00 0.00 H -ATOM 12 H3 GLU A 1 -13.332 8.203 4.588 1.00 0.00 H -ATOM 13 HA GLU A 1 -13.374 5.753 4.113 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -15.969 6.351 3.533 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -15.276 6.336 1.911 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -15.791 4.090 2.148 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -14.146 4.095 2.786 1.00 0.00 H -ATOM 18 N GLN A 2 -11.596 6.846 2.593 1.00 0.00 N -ATOM 19 CA GLN A 2 -10.613 7.221 1.531 1.00 0.00 C -ATOM 20 C GLN A 2 -10.538 6.120 0.469 1.00 0.00 C -ATOM 21 O GLN A 2 -11.281 5.159 0.507 1.00 0.00 O -ATOM 22 CB GLN A 2 -9.270 7.360 2.255 1.00 0.00 C -ATOM 23 CG GLN A 2 -8.419 8.445 1.575 1.00 0.00 C -ATOM 24 CD GLN A 2 -8.134 9.580 2.563 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -6.993 9.933 2.789 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -9.131 10.170 3.164 1.00 0.00 N -ATOM 27 H GLN A 2 -11.278 6.556 3.474 1.00 0.00 H -ATOM 28 HA GLN A 2 -10.887 8.161 1.079 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -9.448 7.628 3.287 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -8.744 6.419 2.215 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -7.484 8.012 1.249 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -8.947 8.841 0.719 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -10.051 9.886 2.982 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -8.960 10.898 3.797 1.00 0.00 H -ATOM 35 N TYR A 3 -9.646 6.258 -0.481 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.515 5.226 -1.559 1.00 0.00 C -ATOM 37 C TYR A 3 -9.305 3.829 -0.971 1.00 0.00 C -ATOM 38 O TYR A 3 -8.779 3.671 0.115 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.310 5.647 -2.405 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.109 5.903 -1.529 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.471 4.847 -0.869 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.643 7.209 -1.378 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.364 5.106 -0.061 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.538 7.467 -0.570 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.896 6.416 0.090 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.803 6.671 0.889 1.00 0.00 O -ATOM 47 H TYR A 3 -9.063 7.046 -0.494 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.391 5.232 -2.170 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.077 4.866 -3.113 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.557 6.552 -2.937 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.829 3.833 -0.981 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -7.137 8.022 -1.889 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.873 4.297 0.447 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -5.182 8.475 -0.454 1.00 0.00 H -ATOM 55 HH TYR A 3 -4.102 7.182 1.645 1.00 0.00 H -ATOM 56 N THR A 4 -9.719 2.816 -1.690 1.00 0.00 N -ATOM 57 CA THR A 4 -9.557 1.419 -1.196 1.00 0.00 C -ATOM 58 C THR A 4 -8.535 0.673 -2.059 1.00 0.00 C -ATOM 59 O THR A 4 -8.743 -0.461 -2.445 1.00 0.00 O -ATOM 60 CB THR A 4 -10.946 0.787 -1.336 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.486 1.125 -2.606 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.871 1.309 -0.232 1.00 0.00 C -ATOM 63 H THR A 4 -10.141 2.979 -2.559 1.00 0.00 H -ATOM 64 HA THR A 4 -9.253 1.416 -0.161 1.00 0.00 H -ATOM 65 HB THR A 4 -10.863 -0.285 -1.255 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.537 0.322 -3.130 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.313 1.936 0.448 1.00 0.00 H -ATOM 68 HG22 THR A 4 -12.289 0.474 0.311 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.671 1.884 -0.676 1.00 0.00 H -ATOM 70 N ALA A 5 -7.431 1.309 -2.365 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.376 0.662 -3.210 1.00 0.00 C -ATOM 72 C ALA A 5 -6.018 -0.724 -2.683 1.00 0.00 C -ATOM 73 O ALA A 5 -5.727 -0.879 -1.525 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.150 1.563 -3.080 1.00 0.00 C -ATOM 75 H ALA A 5 -7.297 2.222 -2.044 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.690 0.615 -4.236 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.459 2.557 -2.801 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.628 1.595 -4.025 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.489 1.159 -2.316 1.00 0.00 H -ATOM 80 N LYS A 6 -6.002 -1.715 -3.525 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.621 -3.082 -3.057 1.00 0.00 C -ATOM 82 C LYS A 6 -4.348 -3.527 -3.770 1.00 0.00 C -ATOM 83 O LYS A 6 -4.149 -3.252 -4.939 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.793 -4.004 -3.395 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.202 -3.833 -4.861 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.597 -5.193 -5.460 1.00 0.00 C -ATOM 87 CE LYS A 6 -9.078 -5.181 -5.849 1.00 0.00 C -ATOM 88 NZ LYS A 6 -9.092 -4.834 -7.297 1.00 0.00 N -ATOM 89 H LYS A 6 -6.215 -1.559 -4.467 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.460 -3.073 -1.990 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.496 -5.028 -3.222 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.631 -3.760 -2.759 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -8.038 -3.152 -4.916 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.371 -3.426 -5.416 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -6.997 -5.383 -6.339 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -7.425 -5.975 -4.734 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -9.516 -6.157 -5.690 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -9.611 -4.431 -5.284 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -10.075 -4.762 -7.627 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -8.597 -5.574 -7.835 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -8.613 -3.922 -7.440 1.00 0.00 H -ATOM 102 N TYR A 7 -3.479 -4.197 -3.064 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.198 -4.652 -3.679 1.00 0.00 C -ATOM 104 C TYR A 7 -2.015 -6.158 -3.475 1.00 0.00 C -ATOM 105 O TYR A 7 -2.084 -6.931 -4.412 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.117 -3.858 -2.948 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.118 -2.455 -3.461 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.152 -1.589 -3.106 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.084 -2.022 -4.286 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.155 -0.278 -3.578 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.076 -0.713 -4.762 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.113 0.167 -4.409 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.107 1.464 -4.879 1.00 0.00 O -ATOM 114 H TYR A 7 -3.666 -4.392 -2.123 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.179 -4.405 -4.728 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.318 -3.841 -1.890 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.154 -4.299 -3.125 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.949 -1.935 -2.468 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.709 -2.702 -4.555 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.953 0.398 -3.287 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.731 -0.383 -5.395 1.00 0.00 H -ATOM 122 HH TYR A 7 -2.007 1.693 -5.125 1.00 0.00 H -ATOM 123 N LYS A 8 -1.794 -6.578 -2.256 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.617 -8.034 -1.979 1.00 0.00 C -ATOM 125 C LYS A 8 -2.715 -8.510 -1.023 1.00 0.00 C -ATOM 126 O LYS A 8 -2.443 -8.993 0.061 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.240 -8.151 -1.323 1.00 0.00 C -ATOM 128 CG LYS A 8 0.808 -8.472 -2.391 1.00 0.00 C -ATOM 129 CD LYS A 8 0.652 -9.925 -2.842 1.00 0.00 C -ATOM 130 CE LYS A 8 1.289 -10.854 -1.806 1.00 0.00 C -ATOM 131 NZ LYS A 8 0.671 -12.187 -2.052 1.00 0.00 N -ATOM 132 H LYS A 8 -1.751 -5.933 -1.520 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.642 -8.600 -2.896 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.010 -7.217 -0.841 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.256 -8.943 -0.590 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.671 -7.814 -3.238 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.796 -8.328 -1.980 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.398 -10.160 -2.942 1.00 0.00 H -ATOM 139 HD3 LYS A 8 1.144 -10.062 -3.794 1.00 0.00 H -ATOM 140 HE2 LYS A 8 2.359 -10.900 -1.951 1.00 0.00 H -ATOM 141 HE3 LYS A 8 1.057 -10.518 -0.807 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 -0.361 -12.117 -1.946 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 1.045 -12.874 -1.365 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 0.898 -12.502 -3.016 1.00 0.00 H -ATOM 145 N GLY A 9 -3.954 -8.363 -1.417 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.080 -8.789 -0.537 1.00 0.00 C -ATOM 147 C GLY A 9 -5.175 -7.832 0.651 1.00 0.00 C -ATOM 148 O GLY A 9 -5.590 -8.208 1.731 1.00 0.00 O -ATOM 149 H GLY A 9 -4.142 -7.963 -2.292 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.004 -8.766 -1.099 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.899 -9.790 -0.177 1.00 0.00 H -ATOM 152 N ARG A 10 -4.785 -6.595 0.458 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.842 -5.602 1.571 1.00 0.00 C -ATOM 154 C ARG A 10 -5.215 -4.223 1.028 1.00 0.00 C -ATOM 155 O ARG A 10 -4.428 -3.589 0.348 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.424 -5.563 2.144 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.028 -6.951 2.654 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.692 -6.857 3.394 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.225 -8.264 3.530 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.891 -8.731 4.702 1.00 0.00 C -ATOM 161 NH1 ARG A 10 0.174 -8.280 5.307 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.622 -9.653 5.268 1.00 0.00 N -ATOM 163 H ARG A 10 -4.452 -6.321 -0.420 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.541 -5.915 2.329 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.733 -5.250 1.371 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.387 -4.859 2.962 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.790 -7.318 3.326 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.928 -7.627 1.819 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.984 -6.279 2.816 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.831 -6.418 4.369 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.167 -8.838 2.739 1.00 0.00 H -ATOM 172 HH11 ARG A 10 0.735 -7.576 4.873 1.00 0.00 H -ATOM 173 HH12 ARG A 10 0.428 -8.640 6.205 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -2.437 -10.000 4.804 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -1.366 -10.012 6.166 1.00 0.00 H -ATOM 176 N THR A 11 -6.396 -3.744 1.330 1.00 0.00 N -ATOM 177 CA THR A 11 -6.793 -2.394 0.833 1.00 0.00 C -ATOM 178 C THR A 11 -5.968 -1.326 1.561 1.00 0.00 C -ATOM 179 O THR A 11 -5.609 -1.495 2.712 1.00 0.00 O -ATOM 180 CB THR A 11 -8.276 -2.240 1.172 1.00 0.00 C -ATOM 181 OG1 THR A 11 -9.006 -3.320 0.606 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.791 -0.914 0.601 1.00 0.00 C -ATOM 183 H THR A 11 -7.011 -4.266 1.887 1.00 0.00 H -ATOM 184 HA THR A 11 -6.651 -2.336 -0.237 1.00 0.00 H -ATOM 185 HB THR A 11 -8.404 -2.240 2.244 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.706 -3.559 1.217 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.487 -0.470 1.297 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.287 -1.097 -0.339 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.959 -0.238 0.443 1.00 0.00 H -ATOM 190 N PHE A 12 -5.665 -0.234 0.908 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.864 0.839 1.567 1.00 0.00 C -ATOM 192 C PHE A 12 -5.720 2.089 1.765 1.00 0.00 C -ATOM 193 O PHE A 12 -6.276 2.630 0.829 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.688 1.110 0.620 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.703 -0.015 0.763 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.930 -1.198 0.069 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.572 0.121 1.579 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.031 -2.263 0.188 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.666 -0.942 1.697 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.899 -2.136 1.003 1.00 0.00 C -ATOM 201 H PHE A 12 -5.965 -0.120 -0.018 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.490 0.490 2.517 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.035 1.151 -0.411 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.214 2.042 0.885 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.801 -1.281 -0.568 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.401 1.040 2.120 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.217 -3.186 -0.337 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.215 -0.840 2.313 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.203 -2.957 1.091 1.00 0.00 H -ATOM 210 N ARG A 13 -5.832 2.540 2.986 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.647 3.755 3.277 1.00 0.00 C -ATOM 212 C ARG A 13 -5.750 4.832 3.885 1.00 0.00 C -ATOM 213 O ARG A 13 -6.164 5.593 4.739 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.697 3.294 4.289 1.00 0.00 C -ATOM 215 CG ARG A 13 -9.002 4.058 4.057 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.889 3.271 3.090 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.468 2.171 3.910 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.553 2.376 4.605 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.723 2.235 4.045 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -11.468 2.722 5.862 1.00 0.00 N -ATOM 221 H ARG A 13 -5.375 2.077 3.719 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.125 4.116 2.381 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.873 2.234 4.168 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -7.342 3.489 5.290 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.516 4.185 4.999 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.781 5.026 3.634 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -10.674 3.906 2.701 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.299 2.862 2.285 1.00 0.00 H -ATOM 229 HE ARG A 13 -10.033 1.293 3.929 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -12.788 1.970 3.083 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -13.555 2.393 4.577 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -10.571 2.829 6.290 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -12.299 2.879 6.394 1.00 0.00 H -ATOM 234 N ASN A 14 -4.519 4.889 3.449 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.569 5.905 3.992 1.00 0.00 C -ATOM 236 C ASN A 14 -2.334 5.998 3.094 1.00 0.00 C -ATOM 237 O ASN A 14 -1.704 5.003 2.785 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.188 5.383 5.378 1.00 0.00 C -ATOM 239 CG ASN A 14 -3.025 6.559 6.341 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.961 6.946 7.011 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.866 7.149 6.438 1.00 0.00 N -ATOM 242 H ASN A 14 -4.217 4.258 2.760 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.050 6.866 4.078 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.964 4.724 5.741 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.256 4.841 5.315 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -1.111 6.836 5.898 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.750 7.903 7.052 1.00 0.00 H -ATOM 248 N GLU A 15 -1.991 7.185 2.667 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.800 7.354 1.778 1.00 0.00 C -ATOM 250 C GLU A 15 0.469 6.873 2.490 1.00 0.00 C -ATOM 251 O GLU A 15 1.371 6.340 1.872 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.721 8.855 1.489 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.269 9.077 0.045 1.00 0.00 C -ATOM 254 CD GLU A 15 0.523 10.382 -0.048 1.00 0.00 C -ATOM 255 OE1 GLU A 15 1.362 10.603 0.809 1.00 0.00 O -ATOM 256 OE2 GLU A 15 0.279 11.135 -0.975 1.00 0.00 O -ATOM 257 H GLU A 15 -2.522 7.968 2.928 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.941 6.811 0.857 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.697 9.300 1.634 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.012 9.315 2.162 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.354 8.251 -0.267 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -1.135 9.137 -0.598 1.00 0.00 H -ATOM 263 N LYS A 16 0.545 7.060 3.784 1.00 0.00 N -ATOM 264 CA LYS A 16 1.753 6.619 4.545 1.00 0.00 C -ATOM 265 C LYS A 16 1.980 5.119 4.366 1.00 0.00 C -ATOM 266 O LYS A 16 3.094 4.656 4.212 1.00 0.00 O -ATOM 267 CB LYS A 16 1.451 6.940 6.009 1.00 0.00 C -ATOM 268 CG LYS A 16 2.737 6.830 6.832 1.00 0.00 C -ATOM 269 CD LYS A 16 2.398 6.393 8.259 1.00 0.00 C -ATOM 270 CE LYS A 16 3.484 5.447 8.776 1.00 0.00 C -ATOM 271 NZ LYS A 16 2.754 4.433 9.586 1.00 0.00 N -ATOM 272 H LYS A 16 -0.192 7.495 4.255 1.00 0.00 H -ATOM 273 HA LYS A 16 2.607 7.164 4.220 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.058 7.943 6.085 1.00 0.00 H -ATOM 275 HB3 LYS A 16 0.724 6.237 6.387 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.394 6.102 6.376 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.229 7.791 6.858 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.344 7.263 8.898 1.00 0.00 H -ATOM 279 HD3 LYS A 16 1.446 5.882 8.265 1.00 0.00 H -ATOM 280 HE2 LYS A 16 3.994 4.974 7.948 1.00 0.00 H -ATOM 281 HE3 LYS A 16 4.185 5.981 9.398 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 3.417 3.699 9.906 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 2.008 3.998 9.005 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 2.325 4.892 10.414 1.00 0.00 H -ATOM 285 N GLU A 17 0.920 4.370 4.386 1.00 0.00 N -ATOM 286 CA GLU A 17 1.030 2.887 4.218 1.00 0.00 C -ATOM 287 C GLU A 17 1.435 2.550 2.782 1.00 0.00 C -ATOM 288 O GLU A 17 2.432 1.897 2.540 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.372 2.347 4.510 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.665 2.465 6.005 1.00 0.00 C -ATOM 291 CD GLU A 17 0.266 1.532 6.784 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.483 0.423 6.324 1.00 0.00 O -ATOM 293 OE2 GLU A 17 0.746 1.944 7.827 1.00 0.00 O -ATOM 294 H GLU A 17 0.047 4.789 4.511 1.00 0.00 H -ATOM 295 HA GLU A 17 1.739 2.476 4.919 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.100 2.920 3.954 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.428 1.311 4.214 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.504 3.485 6.323 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.690 2.185 6.192 1.00 0.00 H -ATOM 300 N LEU A 18 0.656 2.993 1.830 1.00 0.00 N -ATOM 301 CA LEU A 18 0.963 2.712 0.391 1.00 0.00 C -ATOM 302 C LEU A 18 2.375 3.187 0.038 1.00 0.00 C -ATOM 303 O LEU A 18 3.118 2.493 -0.632 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.099 3.496 -0.395 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.416 2.797 -1.723 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.950 1.376 -1.466 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.476 3.609 -2.475 1.00 0.00 C -ATOM 308 H LEU A 18 -0.142 3.511 2.064 1.00 0.00 H -ATOM 309 HA LEU A 18 0.872 1.659 0.193 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.000 3.565 0.196 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.271 4.491 -0.597 1.00 0.00 H -ATOM 312 HG LEU A 18 0.478 2.747 -2.318 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.814 1.123 -0.438 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.413 0.662 -2.077 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -2.001 1.331 -1.706 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.346 3.735 -1.847 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.756 3.087 -3.378 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.073 4.578 -2.729 1.00 0.00 H -ATOM 319 N ARG A 19 2.756 4.351 0.493 1.00 0.00 N -ATOM 320 CA ARG A 19 4.129 4.857 0.190 1.00 0.00 C -ATOM 321 C ARG A 19 5.183 3.920 0.792 1.00 0.00 C -ATOM 322 O ARG A 19 6.327 3.919 0.379 1.00 0.00 O -ATOM 323 CB ARG A 19 4.206 6.239 0.841 1.00 0.00 C -ATOM 324 CG ARG A 19 3.398 7.243 0.014 1.00 0.00 C -ATOM 325 CD ARG A 19 4.332 7.990 -0.940 1.00 0.00 C -ATOM 326 NE ARG A 19 3.492 8.312 -2.126 1.00 0.00 N -ATOM 327 CZ ARG A 19 3.911 8.009 -3.324 1.00 0.00 C -ATOM 328 NH1 ARG A 19 4.462 6.846 -3.549 1.00 0.00 N -ATOM 329 NH2 ARG A 19 3.781 8.868 -4.297 1.00 0.00 N -ATOM 330 H ARG A 19 2.142 4.886 1.039 1.00 0.00 H -ATOM 331 HA ARG A 19 4.270 4.944 -0.874 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.803 6.187 1.842 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.236 6.557 0.883 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.644 6.717 -0.555 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.920 7.951 0.675 1.00 0.00 H -ATOM 336 HD2 ARG A 19 4.693 8.898 -0.477 1.00 0.00 H -ATOM 337 HD3 ARG A 19 5.156 7.360 -1.231 1.00 0.00 H -ATOM 338 HE ARG A 19 2.627 8.753 -2.007 1.00 0.00 H -ATOM 339 HH11 ARG A 19 4.562 6.188 -2.802 1.00 0.00 H -ATOM 340 HH12 ARG A 19 4.782 6.614 -4.467 1.00 0.00 H -ATOM 341 HH21 ARG A 19 3.361 9.759 -4.125 1.00 0.00 H -ATOM 342 HH22 ARG A 19 4.100 8.636 -5.216 1.00 0.00 H -ATOM 343 N ASP A 20 4.807 3.123 1.766 1.00 0.00 N -ATOM 344 CA ASP A 20 5.785 2.188 2.395 1.00 0.00 C -ATOM 345 C ASP A 20 5.599 0.769 1.846 1.00 0.00 C -ATOM 346 O ASP A 20 6.535 -0.006 1.791 1.00 0.00 O -ATOM 347 CB ASP A 20 5.466 2.230 3.890 1.00 0.00 C -ATOM 348 CG ASP A 20 6.623 1.613 4.678 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.761 1.903 4.347 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.351 0.862 5.600 1.00 0.00 O -ATOM 351 H ASP A 20 3.882 3.142 2.086 1.00 0.00 H -ATOM 352 HA ASP A 20 6.794 2.527 2.225 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.325 3.256 4.199 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.563 1.669 4.082 1.00 0.00 H -ATOM 355 N PHE A 21 4.399 0.422 1.443 1.00 0.00 N -ATOM 356 CA PHE A 21 4.159 -0.951 0.898 1.00 0.00 C -ATOM 357 C PHE A 21 4.866 -1.132 -0.452 1.00 0.00 C -ATOM 358 O PHE A 21 5.866 -1.815 -0.552 1.00 0.00 O -ATOM 359 CB PHE A 21 2.644 -1.080 0.725 1.00 0.00 C -ATOM 360 CG PHE A 21 2.364 -2.455 0.180 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.350 -3.536 1.053 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.149 -2.647 -1.189 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.110 -4.827 0.567 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.910 -3.935 -1.681 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.887 -5.027 -0.801 1.00 0.00 C -ATOM 366 H PHE A 21 3.659 1.063 1.498 1.00 0.00 H -ATOM 367 HA PHE A 21 4.496 -1.702 1.602 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.165 -0.961 1.678 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.271 -0.334 0.047 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.538 -3.370 2.103 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.171 -1.802 -1.867 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.093 -5.666 1.247 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.748 -4.089 -2.736 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.702 -6.021 -1.179 1.00 0.00 H -ATOM 375 N ILE A 22 4.332 -0.536 -1.495 1.00 0.00 N -ATOM 376 CA ILE A 22 4.937 -0.668 -2.861 1.00 0.00 C -ATOM 377 C ILE A 22 6.448 -0.403 -2.800 1.00 0.00 C -ATOM 378 O ILE A 22 7.225 -0.980 -3.537 1.00 0.00 O -ATOM 379 CB ILE A 22 4.230 0.391 -3.714 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.755 0.011 -3.863 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.863 0.434 -5.107 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.887 0.886 -2.968 1.00 0.00 C -ATOM 383 H ILE A 22 3.521 -0.008 -1.377 1.00 0.00 H -ATOM 384 HA ILE A 22 4.730 -1.648 -3.270 1.00 0.00 H -ATOM 385 HB ILE A 22 4.317 1.359 -3.242 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.455 0.145 -4.888 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.622 -1.020 -3.582 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.292 1.096 -5.739 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.857 -0.560 -5.525 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.879 0.790 -5.030 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.555 0.309 -2.116 1.00 0.00 H -ATOM 392 HD12 ILE A 22 1.027 1.226 -3.526 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.456 1.737 -2.628 1.00 0.00 H -ATOM 394 N GLU A 23 6.851 0.463 -1.911 1.00 0.00 N -ATOM 395 CA GLU A 23 8.304 0.776 -1.772 1.00 0.00 C -ATOM 396 C GLU A 23 9.036 -0.436 -1.197 1.00 0.00 C -ATOM 397 O GLU A 23 10.184 -0.688 -1.516 1.00 0.00 O -ATOM 398 CB GLU A 23 8.372 1.958 -0.802 1.00 0.00 C -ATOM 399 CG GLU A 23 9.792 2.527 -0.785 1.00 0.00 C -ATOM 400 CD GLU A 23 9.846 3.737 0.148 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.504 3.580 1.309 1.00 0.00 O -ATOM 402 OE2 GLU A 23 10.227 4.800 -0.313 1.00 0.00 O -ATOM 403 H GLU A 23 6.190 0.901 -1.329 1.00 0.00 H -ATOM 404 HA GLU A 23 8.724 1.053 -2.725 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.679 2.724 -1.120 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.108 1.624 0.191 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.478 1.770 -0.435 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.070 2.832 -1.783 1.00 0.00 H -ATOM 409 N LYS A 24 8.373 -1.193 -0.361 1.00 0.00 N -ATOM 410 CA LYS A 24 9.014 -2.402 0.232 1.00 0.00 C -ATOM 411 C LYS A 24 8.798 -3.604 -0.687 1.00 0.00 C -ATOM 412 O LYS A 24 9.740 -4.241 -1.117 1.00 0.00 O -ATOM 413 CB LYS A 24 8.309 -2.613 1.573 1.00 0.00 C -ATOM 414 CG LYS A 24 9.198 -2.096 2.708 1.00 0.00 C -ATOM 415 CD LYS A 24 10.424 -3.005 2.855 1.00 0.00 C -ATOM 416 CE LYS A 24 11.664 -2.155 3.138 1.00 0.00 C -ATOM 417 NZ LYS A 24 11.492 -1.677 4.538 1.00 0.00 N -ATOM 418 H LYS A 24 7.447 -0.970 -0.130 1.00 0.00 H -ATOM 419 HA LYS A 24 10.068 -2.232 0.388 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.371 -2.075 1.576 1.00 0.00 H -ATOM 421 HB3 LYS A 24 8.119 -3.666 1.719 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.517 -1.089 2.483 1.00 0.00 H -ATOM 423 HG3 LYS A 24 8.638 -2.099 3.631 1.00 0.00 H -ATOM 424 HD2 LYS A 24 10.264 -3.692 3.674 1.00 0.00 H -ATOM 425 HD3 LYS A 24 10.573 -3.563 1.943 1.00 0.00 H -ATOM 426 HE2 LYS A 24 12.559 -2.756 3.050 1.00 0.00 H -ATOM 427 HE3 LYS A 24 11.707 -1.314 2.463 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 10.620 -1.117 4.609 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 12.307 -1.087 4.804 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 11.431 -2.494 5.178 1.00 0.00 H -ATOM 431 N PHE A 25 7.561 -3.914 -0.997 1.00 0.00 N -ATOM 432 CA PHE A 25 7.279 -5.066 -1.891 1.00 0.00 C -ATOM 433 C PHE A 25 7.367 -4.635 -3.359 1.00 0.00 C -ATOM 434 O PHE A 25 6.438 -4.814 -4.124 1.00 0.00 O -ATOM 435 CB PHE A 25 5.858 -5.511 -1.541 1.00 0.00 C -ATOM 436 CG PHE A 25 5.548 -6.806 -2.249 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.396 -7.911 -2.098 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.411 -6.902 -3.059 1.00 0.00 C -ATOM 439 CE1 PHE A 25 6.105 -9.111 -2.758 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.121 -8.102 -3.719 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.967 -9.207 -3.568 1.00 0.00 C -ATOM 442 H PHE A 25 6.822 -3.389 -0.641 1.00 0.00 H -ATOM 443 HA PHE A 25 7.969 -5.858 -1.688 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.777 -5.654 -0.473 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.155 -4.753 -1.857 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.274 -7.835 -1.475 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.760 -6.048 -3.173 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.758 -9.964 -2.642 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.243 -8.175 -4.343 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.743 -10.132 -4.077 1.00 0.00 H -ATOM 451 N LYS A 26 8.480 -4.069 -3.753 1.00 0.00 N -ATOM 452 CA LYS A 26 8.638 -3.621 -5.173 1.00 0.00 C -ATOM 453 C LYS A 26 8.589 -4.815 -6.130 1.00 0.00 C -ATOM 454 O LYS A 26 8.310 -4.667 -7.304 1.00 0.00 O -ATOM 455 CB LYS A 26 10.009 -2.945 -5.233 1.00 0.00 C -ATOM 456 CG LYS A 26 9.861 -1.461 -4.890 1.00 0.00 C -ATOM 457 CD LYS A 26 11.141 -0.719 -5.279 1.00 0.00 C -ATOM 458 CE LYS A 26 11.003 -0.172 -6.701 1.00 0.00 C -ATOM 459 NZ LYS A 26 12.333 0.423 -7.013 1.00 0.00 N -ATOM 460 H LYS A 26 9.210 -3.937 -3.115 1.00 0.00 H -ATOM 461 HA LYS A 26 7.871 -2.917 -5.424 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.672 -3.415 -4.522 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.417 -3.045 -6.227 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.024 -1.048 -5.435 1.00 0.00 H -ATOM 465 HG3 LYS A 26 9.691 -1.351 -3.830 1.00 0.00 H -ATOM 466 HD2 LYS A 26 11.305 0.099 -4.592 1.00 0.00 H -ATOM 467 HD3 LYS A 26 11.979 -1.397 -5.235 1.00 0.00 H -ATOM 468 HE2 LYS A 26 10.776 -0.974 -7.390 1.00 0.00 H -ATOM 469 HE3 LYS A 26 10.239 0.588 -6.740 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 13.043 -0.332 -7.088 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 12.603 1.083 -6.255 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 12.279 0.936 -7.916 1.00 0.00 H -ATOM 473 N GLY A 27 8.860 -5.990 -5.635 1.00 0.00 N -ATOM 474 CA GLY A 27 8.835 -7.203 -6.505 1.00 0.00 C -ATOM 475 C GLY A 27 10.264 -7.573 -6.904 1.00 0.00 C -ATOM 476 O GLY A 27 10.838 -6.984 -7.802 1.00 0.00 O -ATOM 477 H GLY A 27 9.080 -6.076 -4.688 1.00 0.00 H -ATOM 478 HA2 GLY A 27 8.386 -8.025 -5.966 1.00 0.00 H -ATOM 479 HA3 GLY A 27 8.259 -6.996 -7.394 1.00 0.00 H -ATOM 480 N ARG A 28 10.840 -8.543 -6.242 1.00 0.00 N -ATOM 481 CA ARG A 28 12.235 -8.961 -6.575 1.00 0.00 C -ATOM 482 C ARG A 28 12.327 -10.487 -6.649 1.00 0.00 C -ATOM 483 O ARG A 28 12.544 -10.995 -7.736 1.00 0.00 O -ATOM 484 CB ARG A 28 13.092 -8.426 -5.427 1.00 0.00 C -ATOM 485 CG ARG A 28 13.395 -6.945 -5.660 1.00 0.00 C -ATOM 486 CD ARG A 28 13.831 -6.298 -4.343 1.00 0.00 C -ATOM 487 NE ARG A 28 14.930 -5.364 -4.714 1.00 0.00 N -ATOM 488 CZ ARG A 28 15.256 -4.388 -3.912 1.00 0.00 C -ATOM 489 NH1 ARG A 28 16.102 -4.596 -2.941 1.00 0.00 N -ATOM 490 NH2 ARG A 28 14.735 -3.203 -4.079 1.00 0.00 N -ATOM 491 OXT ARG A 28 12.177 -11.121 -5.618 1.00 0.00 O -ATOM 492 H ARG A 28 10.354 -8.999 -5.523 1.00 0.00 H -ATOM 493 HA ARG A 28 12.549 -8.518 -7.506 1.00 0.00 H -ATOM 494 HB2 ARG A 28 12.558 -8.543 -4.495 1.00 0.00 H -ATOM 495 HB3 ARG A 28 14.019 -8.978 -5.383 1.00 0.00 H -ATOM 496 HG2 ARG A 28 14.188 -6.850 -6.389 1.00 0.00 H -ATOM 497 HG3 ARG A 28 12.509 -6.450 -6.026 1.00 0.00 H -ATOM 498 HD2 ARG A 28 13.006 -5.756 -3.901 1.00 0.00 H -ATOM 499 HD3 ARG A 28 14.199 -7.048 -3.659 1.00 0.00 H -ATOM 500 HE ARG A 28 15.410 -5.482 -5.561 1.00 0.00 H -ATOM 501 HH11 ARG A 28 16.502 -5.505 -2.811 1.00 0.00 H -ATOM 502 HH12 ARG A 28 16.352 -3.848 -2.326 1.00 0.00 H -ATOM 503 HH21 ARG A 28 14.087 -3.043 -4.824 1.00 0.00 H -ATOM 504 HH22 ARG A 28 14.984 -2.456 -3.464 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 2 -ATOM 1 N GLU A 1 -11.645 7.833 5.633 1.00 0.00 N -ATOM 2 CA GLU A 1 -12.211 7.379 4.330 1.00 0.00 C -ATOM 3 C GLU A 1 -11.234 7.695 3.195 1.00 0.00 C -ATOM 4 O GLU A 1 -11.274 8.762 2.610 1.00 0.00 O -ATOM 5 CB GLU A 1 -13.513 8.173 4.163 1.00 0.00 C -ATOM 6 CG GLU A 1 -14.647 7.227 3.758 1.00 0.00 C -ATOM 7 CD GLU A 1 -14.513 6.872 2.277 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -13.764 5.958 1.973 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.161 7.520 1.472 1.00 0.00 O -ATOM 10 H1 GLU A 1 -11.529 8.865 5.619 1.00 0.00 H -ATOM 11 H2 GLU A 1 -10.719 7.381 5.784 1.00 0.00 H -ATOM 12 H3 GLU A 1 -12.291 7.569 6.403 1.00 0.00 H -ATOM 13 HA GLU A 1 -12.423 6.320 4.361 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -13.764 8.653 5.097 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -13.383 8.923 3.397 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -14.592 6.326 4.352 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -15.596 7.712 3.926 1.00 0.00 H -ATOM 18 N GLN A 2 -10.355 6.776 2.883 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.367 7.016 1.787 1.00 0.00 C -ATOM 20 C GLN A 2 -9.575 6.002 0.659 1.00 0.00 C -ATOM 21 O GLN A 2 -10.401 5.114 0.755 1.00 0.00 O -ATOM 22 CB GLN A 2 -7.991 6.826 2.441 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.270 8.174 2.533 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.970 9.058 3.567 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -8.340 10.177 3.276 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -8.167 8.599 4.773 1.00 0.00 N -ATOM 27 H GLN A 2 -10.344 5.926 3.372 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.464 8.022 1.409 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.117 6.418 3.433 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.399 6.145 1.846 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -6.244 8.013 2.832 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.293 8.661 1.571 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -7.867 7.697 5.010 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -8.617 9.157 5.442 1.00 0.00 H -ATOM 35 N TYR A 3 -8.832 6.133 -0.413 1.00 0.00 N -ATOM 36 CA TYR A 3 -8.971 5.185 -1.568 1.00 0.00 C -ATOM 37 C TYR A 3 -8.959 3.719 -1.112 1.00 0.00 C -ATOM 38 O TYR A 3 -8.410 3.380 -0.082 1.00 0.00 O -ATOM 39 CB TYR A 3 -7.792 5.484 -2.504 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.496 5.571 -1.734 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -5.966 4.442 -1.111 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -5.835 6.798 -1.644 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -4.772 4.537 -0.398 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.642 6.896 -0.931 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.106 5.765 -0.306 1.00 0.00 C -ATOM 46 OH TYR A 3 -2.924 5.859 0.395 1.00 0.00 O -ATOM 47 H TYR A 3 -8.180 6.862 -0.466 1.00 0.00 H -ATOM 48 HA TYR A 3 -9.883 5.391 -2.085 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -7.714 4.701 -3.243 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -7.971 6.426 -2.998 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.475 3.495 -1.178 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.250 7.671 -2.126 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.368 3.665 0.083 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.136 7.843 -0.861 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.201 5.809 -0.235 1.00 0.00 H -ATOM 56 N THR A 4 -9.584 2.856 -1.876 1.00 0.00 N -ATOM 57 CA THR A 4 -9.639 1.409 -1.507 1.00 0.00 C -ATOM 58 C THR A 4 -8.569 0.622 -2.273 1.00 0.00 C -ATOM 59 O THR A 4 -8.747 -0.536 -2.595 1.00 0.00 O -ATOM 60 CB THR A 4 -11.039 0.955 -1.923 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.995 1.908 -1.478 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.344 -0.406 -1.300 1.00 0.00 C -ATOM 63 H THR A 4 -10.027 3.166 -2.693 1.00 0.00 H -ATOM 64 HA THR A 4 -9.512 1.285 -0.444 1.00 0.00 H -ATOM 65 HB THR A 4 -11.087 0.872 -2.997 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.936 1.964 -0.521 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.104 -0.382 -0.247 1.00 0.00 H -ATOM 68 HG22 THR A 4 -10.752 -1.166 -1.787 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.393 -0.633 -1.424 1.00 0.00 H -ATOM 70 N ALA A 5 -7.462 1.252 -2.566 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.354 0.573 -3.316 1.00 0.00 C -ATOM 72 C ALA A 5 -6.020 -0.795 -2.723 1.00 0.00 C -ATOM 73 O ALA A 5 -5.876 -0.928 -1.535 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.139 1.487 -3.135 1.00 0.00 C -ATOM 75 H ALA A 5 -7.358 2.184 -2.298 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.599 0.492 -4.359 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.469 2.478 -2.864 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.582 1.533 -4.058 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.502 1.087 -2.347 1.00 0.00 H -ATOM 80 N LYS A 6 -5.852 -1.793 -3.546 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.472 -3.139 -3.023 1.00 0.00 C -ATOM 82 C LYS A 6 -4.185 -3.590 -3.707 1.00 0.00 C -ATOM 83 O LYS A 6 -3.988 -3.369 -4.887 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.625 -4.084 -3.355 1.00 0.00 C -ATOM 85 CG LYS A 6 -6.995 -3.978 -4.838 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.198 -5.377 -5.427 1.00 0.00 C -ATOM 87 CE LYS A 6 -7.013 -5.323 -6.946 1.00 0.00 C -ATOM 88 NZ LYS A 6 -5.539 -5.355 -7.155 1.00 0.00 N -ATOM 89 H LYS A 6 -5.943 -1.654 -4.510 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.328 -3.095 -1.955 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.323 -5.095 -3.127 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.480 -3.821 -2.754 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.909 -3.410 -4.932 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.204 -3.475 -5.371 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -6.474 -6.056 -5.001 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.195 -5.723 -5.201 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -7.481 -6.181 -7.411 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -7.424 -4.408 -7.344 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -5.329 -5.191 -8.161 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -5.168 -6.282 -6.869 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -5.092 -4.612 -6.581 1.00 0.00 H -ATOM 102 N TYR A 7 -3.300 -4.197 -2.966 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.004 -4.643 -3.558 1.00 0.00 C -ATOM 104 C TYR A 7 -1.796 -6.144 -3.335 1.00 0.00 C -ATOM 105 O TYR A 7 -1.836 -6.926 -4.267 1.00 0.00 O -ATOM 106 CB TYR A 7 -0.939 -3.815 -2.835 1.00 0.00 C -ATOM 107 CG TYR A 7 -0.972 -2.418 -3.365 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.046 -1.585 -3.054 1.00 0.00 C -ATOM 109 CD2 TYR A 7 0.071 -1.958 -4.162 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.083 -0.281 -3.545 1.00 0.00 C -ATOM 111 CE2 TYR A 7 0.047 -0.657 -4.655 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.032 0.191 -4.348 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.067 1.482 -4.840 1.00 0.00 O -ATOM 114 H TYR A 7 -3.484 -4.348 -2.017 1.00 0.00 H -ATOM 115 HA TYR A 7 -1.980 -4.412 -4.610 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.137 -3.790 -1.777 1.00 0.00 H -ATOM 117 HB3 TYR A 7 0.034 -4.236 -3.010 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.849 -1.951 -2.435 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.897 -2.612 -4.398 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.913 0.367 -3.288 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.862 -0.305 -5.265 1.00 0.00 H -ATOM 122 HH TYR A 7 -0.164 1.804 -4.903 1.00 0.00 H -ATOM 123 N LYS A 8 -1.585 -6.553 -2.111 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.383 -8.006 -1.826 1.00 0.00 C -ATOM 125 C LYS A 8 -2.525 -8.526 -0.949 1.00 0.00 C -ATOM 126 O LYS A 8 -2.313 -8.981 0.160 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.048 -8.086 -1.083 1.00 0.00 C -ATOM 128 CG LYS A 8 0.348 -9.552 -0.901 1.00 0.00 C -ATOM 129 CD LYS A 8 0.879 -10.104 -2.226 1.00 0.00 C -ATOM 130 CE LYS A 8 1.132 -11.607 -2.090 1.00 0.00 C -ATOM 131 NZ LYS A 8 1.241 -12.105 -3.489 1.00 0.00 N -ATOM 132 H LYS A 8 -1.563 -5.904 -1.376 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.328 -8.567 -2.746 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.712 -7.576 -1.656 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.145 -7.619 -0.115 1.00 0.00 H -ATOM 136 HG2 LYS A 8 1.118 -9.626 -0.145 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -0.514 -10.124 -0.594 1.00 0.00 H -ATOM 138 HD2 LYS A 8 0.151 -9.929 -3.005 1.00 0.00 H -ATOM 139 HD3 LYS A 8 1.804 -9.607 -2.479 1.00 0.00 H -ATOM 140 HE2 LYS A 8 2.054 -11.785 -1.552 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.304 -12.085 -1.591 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 0.361 -11.896 -4.002 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 1.400 -13.132 -3.482 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 2.039 -11.633 -3.964 1.00 0.00 H -ATOM 145 N GLY A 9 -3.737 -8.452 -1.439 1.00 0.00 N -ATOM 146 CA GLY A 9 -4.903 -8.927 -0.640 1.00 0.00 C -ATOM 147 C GLY A 9 -5.110 -7.985 0.548 1.00 0.00 C -ATOM 148 O GLY A 9 -5.551 -8.393 1.606 1.00 0.00 O -ATOM 149 H GLY A 9 -3.880 -8.075 -2.333 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -5.789 -8.931 -1.259 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.712 -9.925 -0.276 1.00 0.00 H -ATOM 152 N ARG A 10 -4.785 -6.729 0.376 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.949 -5.746 1.488 1.00 0.00 C -ATOM 154 C ARG A 10 -5.326 -4.374 0.929 1.00 0.00 C -ATOM 155 O ARG A 10 -4.623 -3.825 0.100 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.575 -5.669 2.156 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.183 -7.045 2.697 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.900 -6.925 3.521 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.685 -8.280 4.101 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.268 -9.257 3.341 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.154 -9.133 2.671 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.963 -10.357 3.251 1.00 0.00 N -ATOM 163 H ARG A 10 -4.428 -6.431 -0.486 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.687 -6.088 2.195 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.842 -5.342 1.429 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.612 -4.961 2.971 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.979 -7.426 3.322 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -3.018 -7.722 1.874 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.071 -6.649 2.884 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -2.026 -6.201 4.311 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.858 -8.439 5.052 1.00 0.00 H -ATOM 172 HH11 ARG A 10 0.380 -8.290 2.739 1.00 0.00 H -ATOM 173 HH12 ARG A 10 0.165 -9.881 2.089 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -2.816 -10.452 3.765 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -1.644 -11.104 2.670 1.00 0.00 H -ATOM 176 N THR A 11 -6.415 -3.808 1.385 1.00 0.00 N -ATOM 177 CA THR A 11 -6.814 -2.461 0.885 1.00 0.00 C -ATOM 178 C THR A 11 -5.980 -1.391 1.603 1.00 0.00 C -ATOM 179 O THR A 11 -5.682 -1.519 2.775 1.00 0.00 O -ATOM 180 CB THR A 11 -8.293 -2.307 1.236 1.00 0.00 C -ATOM 181 OG1 THR A 11 -9.023 -3.400 0.698 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.818 -0.994 0.646 1.00 0.00 C -ATOM 183 H THR A 11 -6.960 -4.262 2.062 1.00 0.00 H -ATOM 184 HA THR A 11 -6.680 -2.407 -0.187 1.00 0.00 H -ATOM 185 HB THR A 11 -8.410 -2.287 2.309 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.807 -4.182 1.210 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.639 -0.632 1.247 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.160 -1.167 -0.364 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.025 -0.258 0.636 1.00 0.00 H -ATOM 190 N PHE A 12 -5.603 -0.346 0.913 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.788 0.726 1.555 1.00 0.00 C -ATOM 192 C PHE A 12 -5.631 1.987 1.739 1.00 0.00 C -ATOM 193 O PHE A 12 -6.185 2.513 0.798 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.616 0.964 0.596 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.704 -0.224 0.684 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -3.037 -1.379 -0.014 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.542 -0.177 1.463 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.213 -2.505 0.064 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.711 -1.301 1.540 1.00 0.00 C -ATOM 200 CZ PHE A 12 -1.049 -2.469 0.844 1.00 0.00 C -ATOM 201 H PHE A 12 -5.854 -0.268 -0.031 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.410 0.386 2.508 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.979 1.061 -0.427 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.080 1.856 0.882 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.931 -1.392 -0.624 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.292 0.724 2.006 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.481 -3.407 -0.464 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.193 -1.265 2.132 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.410 -3.337 0.903 1.00 0.00 H -ATOM 210 N ARG A 13 -5.738 2.463 2.952 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.550 3.689 3.213 1.00 0.00 C -ATOM 212 C ARG A 13 -5.667 4.769 3.837 1.00 0.00 C -ATOM 213 O ARG A 13 -6.095 5.514 4.699 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.635 3.245 4.199 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.941 2.974 3.444 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.647 1.762 4.058 1.00 0.00 C -ATOM 217 NE ARG A 13 -11.045 1.831 3.550 1.00 0.00 N -ATOM 218 CZ ARG A 13 -12.047 1.734 4.382 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.103 2.509 5.430 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -12.992 0.860 4.164 1.00 0.00 N -ATOM 221 H ARG A 13 -5.286 2.011 3.695 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.001 4.046 2.302 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.315 2.344 4.703 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -7.799 4.025 4.928 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.583 3.840 3.515 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.723 2.772 2.406 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -9.172 0.848 3.731 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.642 1.827 5.134 1.00 0.00 H -ATOM 229 HE ARG A 13 -11.212 1.946 2.593 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -11.378 3.177 5.597 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -12.870 2.434 6.066 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -12.949 0.266 3.361 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -13.760 0.786 4.800 1.00 0.00 H -ATOM 234 N ASN A 14 -4.434 4.855 3.406 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.508 5.882 3.969 1.00 0.00 C -ATOM 236 C ASN A 14 -2.303 6.069 3.044 1.00 0.00 C -ATOM 237 O ASN A 14 -1.744 5.114 2.541 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.065 5.318 5.319 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.583 6.460 6.217 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.379 7.192 6.770 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.302 6.643 6.386 1.00 0.00 N -ATOM 242 H ASN A 14 -4.118 4.238 2.710 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.025 6.819 4.112 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.897 4.816 5.790 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.259 4.616 5.169 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -0.659 6.053 5.939 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -0.982 7.367 6.963 1.00 0.00 H -ATOM 248 N GLU A 15 -1.907 7.295 2.815 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.740 7.555 1.917 1.00 0.00 C -ATOM 250 C GLU A 15 0.534 6.950 2.514 1.00 0.00 C -ATOM 251 O GLU A 15 1.332 6.351 1.817 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.623 9.078 1.840 1.00 0.00 C -ATOM 253 CG GLU A 15 0.003 9.476 0.502 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.598 10.802 0.033 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -1.793 10.834 -0.215 1.00 0.00 O -ATOM 256 OE2 GLU A 15 0.146 11.763 -0.069 1.00 0.00 O -ATOM 257 H GLU A 15 -2.381 8.045 3.233 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.924 7.150 0.935 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.607 9.517 1.924 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.000 9.433 2.647 1.00 0.00 H -ATOM 261 HG2 GLU A 15 1.071 9.585 0.622 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.201 8.711 -0.232 1.00 0.00 H -ATOM 263 N LYS A 16 0.732 7.108 3.799 1.00 0.00 N -ATOM 264 CA LYS A 16 1.955 6.550 4.454 1.00 0.00 C -ATOM 265 C LYS A 16 2.053 5.044 4.218 1.00 0.00 C -ATOM 266 O LYS A 16 3.108 4.513 3.928 1.00 0.00 O -ATOM 267 CB LYS A 16 1.785 6.846 5.945 1.00 0.00 C -ATOM 268 CG LYS A 16 3.159 7.046 6.586 1.00 0.00 C -ATOM 269 CD LYS A 16 2.995 7.258 8.092 1.00 0.00 C -ATOM 270 CE LYS A 16 4.150 8.113 8.616 1.00 0.00 C -ATOM 271 NZ LYS A 16 3.795 8.414 10.030 1.00 0.00 N -ATOM 272 H LYS A 16 0.077 7.599 4.332 1.00 0.00 H -ATOM 273 HA LYS A 16 2.822 7.041 4.081 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.195 7.744 6.069 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.283 6.017 6.421 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.769 6.171 6.409 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.637 7.912 6.153 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.057 7.759 8.285 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.002 6.301 8.593 1.00 0.00 H -ATOM 280 HE2 LYS A 16 5.078 7.560 8.568 1.00 0.00 H -ATOM 281 HE3 LYS A 16 4.227 9.029 8.050 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 3.657 7.525 10.551 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 2.916 8.972 10.054 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 4.562 8.957 10.473 1.00 0.00 H -ATOM 285 N GLU A 17 0.953 4.369 4.343 1.00 0.00 N -ATOM 286 CA GLU A 17 0.938 2.888 4.130 1.00 0.00 C -ATOM 287 C GLU A 17 1.358 2.558 2.697 1.00 0.00 C -ATOM 288 O GLU A 17 2.328 1.862 2.465 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.513 2.464 4.369 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.706 2.101 5.841 1.00 0.00 C -ATOM 291 CD GLU A 17 -2.200 1.977 6.143 1.00 0.00 C -ATOM 292 OE1 GLU A 17 -2.914 1.457 5.301 1.00 0.00 O -ATOM 293 OE2 GLU A 17 -2.606 2.404 7.212 1.00 0.00 O -ATOM 294 H GLU A 17 0.132 4.842 4.575 1.00 0.00 H -ATOM 295 HA GLU A 17 1.588 2.398 4.839 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.172 3.279 4.108 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.741 1.605 3.756 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.216 1.159 6.045 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -0.277 2.874 6.462 1.00 0.00 H -ATOM 300 N LEU A 18 0.624 3.054 1.734 1.00 0.00 N -ATOM 301 CA LEU A 18 0.956 2.781 0.300 1.00 0.00 C -ATOM 302 C LEU A 18 2.384 3.230 -0.015 1.00 0.00 C -ATOM 303 O LEU A 18 3.159 2.492 -0.593 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.068 3.596 -0.505 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.487 2.835 -1.773 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -1.082 1.465 -1.401 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.534 3.660 -2.528 1.00 0.00 C -ATOM 308 H LEU A 18 -0.153 3.607 1.958 1.00 0.00 H -ATOM 309 HA LEU A 18 0.844 1.732 0.087 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -0.940 3.777 0.107 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.371 4.542 -0.786 1.00 0.00 H -ATOM 312 HG LEU A 18 0.376 2.695 -2.402 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -1.047 1.342 -0.336 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.508 0.672 -1.871 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -2.107 1.407 -1.734 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.227 4.095 -1.822 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -2.072 3.020 -3.211 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.043 4.447 -3.081 1.00 0.00 H -ATOM 319 N ARG A 19 2.743 4.427 0.372 1.00 0.00 N -ATOM 320 CA ARG A 19 4.131 4.917 0.107 1.00 0.00 C -ATOM 321 C ARG A 19 5.160 3.991 0.772 1.00 0.00 C -ATOM 322 O ARG A 19 6.320 3.981 0.407 1.00 0.00 O -ATOM 323 CB ARG A 19 4.193 6.316 0.724 1.00 0.00 C -ATOM 324 CG ARG A 19 3.327 7.284 -0.096 1.00 0.00 C -ATOM 325 CD ARG A 19 4.222 8.156 -0.981 1.00 0.00 C -ATOM 326 NE ARG A 19 3.493 8.270 -2.273 1.00 0.00 N -ATOM 327 CZ ARG A 19 4.140 8.149 -3.400 1.00 0.00 C -ATOM 328 NH1 ARG A 19 4.652 6.998 -3.739 1.00 0.00 N -ATOM 329 NH2 ARG A 19 4.275 9.181 -4.188 1.00 0.00 N -ATOM 330 H ARG A 19 2.101 4.999 0.846 1.00 0.00 H -ATOM 331 HA ARG A 19 4.312 4.975 -0.955 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.824 6.276 1.738 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.215 6.662 0.726 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.646 6.721 -0.719 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.764 7.915 0.574 1.00 0.00 H -ATOM 336 HD2 ARG A 19 4.351 9.131 -0.536 1.00 0.00 H -ATOM 337 HD3 ARG A 19 5.178 7.682 -1.136 1.00 0.00 H -ATOM 338 HE ARG A 19 2.530 8.438 -2.275 1.00 0.00 H -ATOM 339 HH11 ARG A 19 4.549 6.207 -3.136 1.00 0.00 H -ATOM 340 HH12 ARG A 19 5.148 6.906 -4.602 1.00 0.00 H -ATOM 341 HH21 ARG A 19 3.883 10.064 -3.927 1.00 0.00 H -ATOM 342 HH22 ARG A 19 4.769 9.089 -5.051 1.00 0.00 H -ATOM 343 N ASP A 20 4.743 3.214 1.746 1.00 0.00 N -ATOM 344 CA ASP A 20 5.692 2.291 2.434 1.00 0.00 C -ATOM 345 C ASP A 20 5.536 0.863 1.898 1.00 0.00 C -ATOM 346 O ASP A 20 6.493 0.117 1.820 1.00 0.00 O -ATOM 347 CB ASP A 20 5.304 2.351 3.911 1.00 0.00 C -ATOM 348 CG ASP A 20 5.966 3.563 4.567 1.00 0.00 C -ATOM 349 OD1 ASP A 20 5.903 4.635 3.988 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.526 3.400 5.639 1.00 0.00 O -ATOM 351 H ASP A 20 3.806 3.241 2.027 1.00 0.00 H -ATOM 352 HA ASP A 20 6.708 2.631 2.307 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.229 2.436 3.998 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.633 1.451 4.407 1.00 0.00 H -ATOM 355 N PHE A 21 4.335 0.476 1.533 1.00 0.00 N -ATOM 356 CA PHE A 21 4.122 -0.909 1.008 1.00 0.00 C -ATOM 357 C PHE A 21 4.875 -1.116 -0.314 1.00 0.00 C -ATOM 358 O PHE A 21 5.866 -1.818 -0.370 1.00 0.00 O -ATOM 359 CB PHE A 21 2.617 -1.050 0.779 1.00 0.00 C -ATOM 360 CG PHE A 21 2.367 -2.448 0.285 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.289 -3.484 1.207 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.244 -2.706 -1.087 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.079 -4.796 0.770 1.00 0.00 C -ATOM 364 CE2 PHE A 21 2.034 -4.017 -1.528 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.950 -5.064 -0.598 1.00 0.00 C -ATOM 366 H PHE A 21 3.578 1.094 1.609 1.00 0.00 H -ATOM 367 HA PHE A 21 4.433 -1.645 1.739 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.098 -0.891 1.706 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.269 -0.338 0.053 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.402 -3.266 2.258 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.320 -1.896 -1.805 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.018 -5.602 1.488 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.940 -4.223 -2.583 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.788 -6.075 -0.937 1.00 0.00 H -ATOM 375 N ILE A 22 4.384 -0.525 -1.379 1.00 0.00 N -ATOM 376 CA ILE A 22 5.031 -0.683 -2.724 1.00 0.00 C -ATOM 377 C ILE A 22 6.543 -0.458 -2.619 1.00 0.00 C -ATOM 378 O ILE A 22 7.326 -1.058 -3.333 1.00 0.00 O -ATOM 379 CB ILE A 22 4.373 0.384 -3.607 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.891 0.036 -3.792 1.00 0.00 C -ATOM 381 CG2 ILE A 22 5.044 0.398 -4.983 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.019 0.957 -2.946 1.00 0.00 C -ATOM 383 H ILE A 22 3.579 0.016 -1.294 1.00 0.00 H -ATOM 384 HA ILE A 22 4.811 -1.661 -3.130 1.00 0.00 H -ATOM 385 HB ILE A 22 4.471 1.353 -3.141 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.626 0.152 -4.829 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.722 -0.985 -3.490 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.642 1.208 -5.571 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.848 -0.541 -5.478 1.00 0.00 H -ATOM 390 HG23 ILE A 22 6.109 0.529 -4.864 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.682 0.424 -2.067 1.00 0.00 H -ATOM 392 HD12 ILE A 22 1.164 1.269 -3.525 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.588 1.825 -2.647 1.00 0.00 H -ATOM 394 N GLU A 23 6.943 0.397 -1.721 1.00 0.00 N -ATOM 395 CA GLU A 23 8.400 0.669 -1.539 1.00 0.00 C -ATOM 396 C GLU A 23 9.079 -0.572 -0.963 1.00 0.00 C -ATOM 397 O GLU A 23 10.202 -0.895 -1.305 1.00 0.00 O -ATOM 398 CB GLU A 23 8.478 1.835 -0.552 1.00 0.00 C -ATOM 399 CG GLU A 23 9.609 2.779 -0.964 1.00 0.00 C -ATOM 400 CD GLU A 23 10.194 3.446 0.281 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.419 3.937 1.085 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.407 3.454 0.410 1.00 0.00 O -ATOM 403 H GLU A 23 6.278 0.854 -1.158 1.00 0.00 H -ATOM 404 HA GLU A 23 8.853 0.943 -2.479 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.541 2.371 -0.556 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.672 1.456 0.440 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.381 2.216 -1.469 1.00 0.00 H -ATOM 408 HG3 GLU A 23 9.222 3.537 -1.629 1.00 0.00 H -ATOM 409 N LYS A 24 8.394 -1.278 -0.099 1.00 0.00 N -ATOM 410 CA LYS A 24 8.978 -2.513 0.499 1.00 0.00 C -ATOM 411 C LYS A 24 8.676 -3.709 -0.406 1.00 0.00 C -ATOM 412 O LYS A 24 9.482 -4.608 -0.550 1.00 0.00 O -ATOM 413 CB LYS A 24 8.285 -2.668 1.853 1.00 0.00 C -ATOM 414 CG LYS A 24 8.860 -1.649 2.840 1.00 0.00 C -ATOM 415 CD LYS A 24 8.083 -1.717 4.156 1.00 0.00 C -ATOM 416 CE LYS A 24 8.979 -1.246 5.304 1.00 0.00 C -ATOM 417 NZ LYS A 24 8.139 -1.376 6.527 1.00 0.00 N -ATOM 418 H LYS A 24 7.488 -0.998 0.149 1.00 0.00 H -ATOM 419 HA LYS A 24 10.041 -2.401 0.636 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.224 -2.499 1.736 1.00 0.00 H -ATOM 421 HB3 LYS A 24 8.452 -3.666 2.231 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.901 -1.874 3.023 1.00 0.00 H -ATOM 423 HG3 LYS A 24 8.773 -0.657 2.424 1.00 0.00 H -ATOM 424 HD2 LYS A 24 7.212 -1.078 4.093 1.00 0.00 H -ATOM 425 HD3 LYS A 24 7.771 -2.734 4.339 1.00 0.00 H -ATOM 426 HE2 LYS A 24 9.855 -1.876 5.378 1.00 0.00 H -ATOM 427 HE3 LYS A 24 9.266 -0.216 5.161 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 7.215 -0.930 6.363 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 8.616 -0.907 7.326 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 8.001 -2.383 6.748 1.00 0.00 H -ATOM 431 N PHE A 25 7.519 -3.716 -1.023 1.00 0.00 N -ATOM 432 CA PHE A 25 7.154 -4.834 -1.925 1.00 0.00 C -ATOM 433 C PHE A 25 6.760 -4.292 -3.303 1.00 0.00 C -ATOM 434 O PHE A 25 5.596 -4.249 -3.654 1.00 0.00 O -ATOM 435 CB PHE A 25 5.966 -5.523 -1.253 1.00 0.00 C -ATOM 436 CG PHE A 25 5.585 -6.748 -2.046 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.449 -7.848 -2.096 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.367 -6.784 -2.735 1.00 0.00 C -ATOM 439 CE1 PHE A 25 6.097 -8.984 -2.834 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.014 -7.920 -3.474 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.878 -9.020 -3.522 1.00 0.00 C -ATOM 442 H PHE A 25 6.896 -2.984 -0.896 1.00 0.00 H -ATOM 443 HA PHE A 25 7.973 -5.512 -2.008 1.00 0.00 H -ATOM 444 HB2 PHE A 25 6.239 -5.813 -0.250 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.127 -4.844 -1.217 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.389 -7.819 -1.564 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.700 -5.935 -2.697 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.764 -9.832 -2.871 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.074 -7.947 -4.005 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.607 -9.896 -4.093 1.00 0.00 H -ATOM 451 N LYS A 26 7.727 -3.876 -4.086 1.00 0.00 N -ATOM 452 CA LYS A 26 7.424 -3.328 -5.449 1.00 0.00 C -ATOM 453 C LYS A 26 6.571 -4.308 -6.263 1.00 0.00 C -ATOM 454 O LYS A 26 5.865 -3.920 -7.176 1.00 0.00 O -ATOM 455 CB LYS A 26 8.789 -3.134 -6.116 1.00 0.00 C -ATOM 456 CG LYS A 26 9.549 -2.002 -5.420 1.00 0.00 C -ATOM 457 CD LYS A 26 9.396 -0.704 -6.222 1.00 0.00 C -ATOM 458 CE LYS A 26 10.725 0.059 -6.235 1.00 0.00 C -ATOM 459 NZ LYS A 26 10.354 1.483 -6.006 1.00 0.00 N -ATOM 460 H LYS A 26 8.656 -3.919 -3.772 1.00 0.00 H -ATOM 461 HA LYS A 26 6.922 -2.387 -5.365 1.00 0.00 H -ATOM 462 HB2 LYS A 26 9.357 -4.051 -6.039 1.00 0.00 H -ATOM 463 HB3 LYS A 26 8.648 -2.886 -7.157 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.152 -1.858 -4.425 1.00 0.00 H -ATOM 465 HG3 LYS A 26 10.596 -2.261 -5.355 1.00 0.00 H -ATOM 466 HD2 LYS A 26 9.107 -0.939 -7.238 1.00 0.00 H -ATOM 467 HD3 LYS A 26 8.634 -0.089 -5.768 1.00 0.00 H -ATOM 468 HE2 LYS A 26 11.370 -0.297 -5.442 1.00 0.00 H -ATOM 469 HE3 LYS A 26 11.210 -0.047 -7.193 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.180 2.089 -6.181 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 10.040 1.606 -5.023 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 9.584 1.749 -6.653 1.00 0.00 H -ATOM 473 N GLY A 27 6.635 -5.567 -5.935 1.00 0.00 N -ATOM 474 CA GLY A 27 5.836 -6.585 -6.678 1.00 0.00 C -ATOM 475 C GLY A 27 6.604 -7.030 -7.924 1.00 0.00 C -ATOM 476 O GLY A 27 6.279 -6.647 -9.033 1.00 0.00 O -ATOM 477 H GLY A 27 7.212 -5.842 -5.198 1.00 0.00 H -ATOM 478 HA2 GLY A 27 5.658 -7.438 -6.039 1.00 0.00 H -ATOM 479 HA3 GLY A 27 4.893 -6.155 -6.977 1.00 0.00 H -ATOM 480 N ARG A 28 7.623 -7.834 -7.748 1.00 0.00 N -ATOM 481 CA ARG A 28 8.421 -8.308 -8.916 1.00 0.00 C -ATOM 482 C ARG A 28 8.320 -9.831 -9.044 1.00 0.00 C -ATOM 483 O ARG A 28 9.035 -10.514 -8.329 1.00 0.00 O -ATOM 484 CB ARG A 28 9.858 -7.891 -8.607 1.00 0.00 C -ATOM 485 CG ARG A 28 10.005 -6.381 -8.804 1.00 0.00 C -ATOM 486 CD ARG A 28 10.475 -6.094 -10.232 1.00 0.00 C -ATOM 487 NE ARG A 28 11.951 -5.926 -10.124 1.00 0.00 N -ATOM 488 CZ ARG A 28 12.504 -4.794 -10.458 1.00 0.00 C -ATOM 489 NH1 ARG A 28 11.958 -3.667 -10.090 1.00 0.00 N -ATOM 490 NH2 ARG A 28 13.605 -4.787 -11.160 1.00 0.00 N -ATOM 491 OXT ARG A 28 7.529 -10.286 -9.853 1.00 0.00 O -ATOM 492 H ARG A 28 7.862 -8.124 -6.844 1.00 0.00 H -ATOM 493 HA ARG A 28 8.084 -7.830 -9.823 1.00 0.00 H -ATOM 494 HB2 ARG A 28 10.095 -8.146 -7.585 1.00 0.00 H -ATOM 495 HB3 ARG A 28 10.535 -8.406 -9.273 1.00 0.00 H -ATOM 496 HG2 ARG A 28 9.051 -5.902 -8.635 1.00 0.00 H -ATOM 497 HG3 ARG A 28 10.730 -5.995 -8.104 1.00 0.00 H -ATOM 498 HD2 ARG A 28 10.233 -6.925 -10.880 1.00 0.00 H -ATOM 499 HD3 ARG A 28 10.026 -5.185 -10.600 1.00 0.00 H -ATOM 500 HE ARG A 28 12.506 -6.668 -9.802 1.00 0.00 H -ATOM 501 HH11 ARG A 28 11.115 -3.672 -9.553 1.00 0.00 H -ATOM 502 HH12 ARG A 28 12.382 -2.798 -10.347 1.00 0.00 H -ATOM 503 HH21 ARG A 28 14.023 -5.650 -11.442 1.00 0.00 H -ATOM 504 HH22 ARG A 28 14.029 -3.918 -11.417 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 3 -ATOM 1 N GLU A 1 -11.476 7.225 5.476 1.00 0.00 N -ATOM 2 CA GLU A 1 -12.341 7.072 4.270 1.00 0.00 C -ATOM 3 C GLU A 1 -11.557 7.437 3.006 1.00 0.00 C -ATOM 4 O GLU A 1 -12.029 8.182 2.167 1.00 0.00 O -ATOM 5 CB GLU A 1 -13.495 8.051 4.485 1.00 0.00 C -ATOM 6 CG GLU A 1 -14.681 7.314 5.110 1.00 0.00 C -ATOM 7 CD GLU A 1 -15.492 8.287 5.969 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -14.924 8.845 6.893 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -16.666 8.460 5.685 1.00 0.00 O -ATOM 10 H1 GLU A 1 -10.745 6.484 5.475 1.00 0.00 H -ATOM 11 H2 GLU A 1 -12.058 7.135 6.333 1.00 0.00 H -ATOM 12 H3 GLU A 1 -11.020 8.158 5.460 1.00 0.00 H -ATOM 13 HA GLU A 1 -12.719 6.065 4.201 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -13.175 8.845 5.145 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -13.795 8.470 3.536 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -15.309 6.915 4.327 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -14.318 6.508 5.729 1.00 0.00 H -ATOM 18 N GLN A 2 -10.363 6.918 2.868 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.539 7.229 1.662 1.00 0.00 C -ATOM 20 C GLN A 2 -9.730 6.145 0.597 1.00 0.00 C -ATOM 21 O GLN A 2 -10.509 5.227 0.768 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.094 7.240 2.163 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.282 8.265 1.366 1.00 0.00 C -ATOM 24 CD GLN A 2 -6.251 8.925 2.281 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -6.578 9.809 3.046 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -5.007 8.530 2.235 1.00 0.00 N -ATOM 27 H GLN A 2 -10.008 6.322 3.561 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.800 8.197 1.266 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.080 7.505 3.211 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.660 6.261 2.033 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -6.777 7.767 0.551 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.945 9.021 0.970 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -4.742 7.816 1.617 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -4.339 8.946 2.818 1.00 0.00 H -ATOM 35 N TYR A 3 -9.023 6.247 -0.501 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.152 5.229 -1.596 1.00 0.00 C -ATOM 37 C TYR A 3 -9.035 3.798 -1.055 1.00 0.00 C -ATOM 38 O TYR A 3 -8.440 3.562 -0.021 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.025 5.537 -2.592 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.707 5.713 -1.877 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.101 4.634 -1.228 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.099 6.971 -1.860 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -4.889 4.815 -0.564 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.888 7.153 -1.195 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.278 6.074 -0.545 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.078 6.251 0.112 1.00 0.00 O -ATOM 47 H TYR A 3 -8.407 7.001 -0.615 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.092 5.352 -2.088 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -7.941 4.728 -3.302 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.264 6.450 -3.116 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.569 3.662 -1.237 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.570 7.804 -2.363 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.426 3.984 -0.065 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.425 8.124 -1.183 1.00 0.00 H -ATOM 55 HH TYR A 3 -3.108 7.100 0.560 1.00 0.00 H -ATOM 56 N THR A 4 -9.610 2.847 -1.750 1.00 0.00 N -ATOM 57 CA THR A 4 -9.552 1.428 -1.284 1.00 0.00 C -ATOM 58 C THR A 4 -8.534 0.634 -2.110 1.00 0.00 C -ATOM 59 O THR A 4 -8.733 -0.528 -2.409 1.00 0.00 O -ATOM 60 CB THR A 4 -10.962 0.879 -1.502 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.442 1.300 -2.771 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.890 1.398 -0.404 1.00 0.00 C -ATOM 63 H THR A 4 -10.090 3.068 -2.576 1.00 0.00 H -ATOM 64 HA THR A 4 -9.301 1.390 -0.238 1.00 0.00 H -ATOM 65 HB THR A 4 -10.938 -0.200 -1.467 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.074 0.715 -3.437 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.616 2.411 -0.150 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.799 0.770 0.471 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.911 1.379 -0.755 1.00 0.00 H -ATOM 70 N ALA A 5 -7.446 1.261 -2.478 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.387 0.576 -3.288 1.00 0.00 C -ATOM 72 C ALA A 5 -6.029 -0.790 -2.706 1.00 0.00 C -ATOM 73 O ALA A 5 -5.809 -0.911 -1.529 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.159 1.482 -3.176 1.00 0.00 C -ATOM 75 H ALA A 5 -7.325 2.194 -2.224 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.689 0.491 -4.316 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.472 2.487 -2.936 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.625 1.482 -4.115 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.508 1.106 -2.388 1.00 0.00 H -ATOM 80 N LYS A 6 -5.929 -1.800 -3.523 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.536 -3.142 -3.002 1.00 0.00 C -ATOM 82 C LYS A 6 -4.254 -3.592 -3.695 1.00 0.00 C -ATOM 83 O LYS A 6 -4.066 -3.372 -4.878 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.692 -4.092 -3.318 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.080 -3.985 -4.795 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.397 -5.377 -5.351 1.00 0.00 C -ATOM 87 CE LYS A 6 -8.481 -5.268 -6.428 1.00 0.00 C -ATOM 88 NZ LYS A 6 -7.751 -5.377 -7.722 1.00 0.00 N -ATOM 89 H LYS A 6 -6.086 -1.673 -4.481 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.383 -3.094 -1.934 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.381 -5.103 -3.096 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.541 -3.834 -2.705 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.950 -3.353 -4.886 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.262 -3.554 -5.351 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -6.503 -5.804 -5.781 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -7.750 -6.011 -4.552 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -9.192 -6.076 -6.326 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -8.982 -4.315 -6.366 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -8.414 -5.215 -8.508 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -7.336 -6.325 -7.808 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -6.994 -4.665 -7.754 1.00 0.00 H -ATOM 102 N TYR A 7 -3.366 -4.201 -2.960 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.076 -4.652 -3.559 1.00 0.00 C -ATOM 104 C TYR A 7 -1.877 -6.153 -3.325 1.00 0.00 C -ATOM 105 O TYR A 7 -1.860 -6.936 -4.256 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.004 -3.829 -2.845 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.023 -2.436 -3.386 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.083 -1.586 -3.071 1.00 0.00 C -ATOM 109 CD2 TYR A 7 0.022 -1.994 -4.192 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.103 -0.284 -3.567 1.00 0.00 C -ATOM 111 CE2 TYR A 7 0.013 -0.693 -4.691 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.051 0.169 -4.380 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.065 1.458 -4.872 1.00 0.00 O -ATOM 114 H TYR A 7 -3.546 -4.353 -2.010 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.058 -4.429 -4.613 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.203 -3.794 -1.788 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.036 -4.261 -3.017 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.889 -1.940 -2.447 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.836 -2.660 -4.431 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.923 0.378 -3.310 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.828 -0.355 -5.309 1.00 0.00 H -ATOM 122 HH TYR A 7 -0.614 2.022 -4.239 1.00 0.00 H -ATOM 123 N LYS A 8 -1.736 -6.557 -2.089 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.550 -8.006 -1.783 1.00 0.00 C -ATOM 125 C LYS A 8 -2.683 -8.490 -0.874 1.00 0.00 C -ATOM 126 O LYS A 8 -2.455 -8.935 0.236 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.201 -8.094 -1.066 1.00 0.00 C -ATOM 128 CG LYS A 8 0.259 -9.552 -1.020 1.00 0.00 C -ATOM 129 CD LYS A 8 0.825 -9.953 -2.384 1.00 0.00 C -ATOM 130 CE LYS A 8 1.349 -11.389 -2.318 1.00 0.00 C -ATOM 131 NZ LYS A 8 2.154 -11.563 -3.559 1.00 0.00 N -ATOM 132 H LYS A 8 -1.761 -5.904 -1.357 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.524 -8.584 -2.694 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.527 -7.503 -1.600 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.303 -7.718 -0.060 1.00 0.00 H -ATOM 136 HG2 LYS A 8 1.024 -9.664 -0.266 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -0.579 -10.188 -0.780 1.00 0.00 H -ATOM 138 HD2 LYS A 8 0.047 -9.887 -3.130 1.00 0.00 H -ATOM 139 HD3 LYS A 8 1.634 -9.289 -2.648 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.970 -11.522 -1.442 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.529 -12.090 -2.308 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 1.528 -11.496 -4.389 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 2.616 -12.494 -3.547 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 2.879 -10.820 -3.611 1.00 0.00 H -ATOM 145 N GLY A 9 -3.903 -8.394 -1.338 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.063 -8.831 -0.507 1.00 0.00 C -ATOM 147 C GLY A 9 -5.223 -7.872 0.674 1.00 0.00 C -ATOM 148 O GLY A 9 -5.687 -8.250 1.734 1.00 0.00 O -ATOM 149 H GLY A 9 -4.056 -8.025 -2.232 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -5.961 -8.822 -1.107 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.886 -9.829 -0.135 1.00 0.00 H -ATOM 152 N ARG A 10 -4.838 -6.632 0.497 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.957 -5.635 1.602 1.00 0.00 C -ATOM 154 C ARG A 10 -5.321 -4.263 1.035 1.00 0.00 C -ATOM 155 O ARG A 10 -4.565 -3.686 0.277 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.566 -5.577 2.239 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.180 -6.955 2.782 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.833 -6.858 3.504 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.627 -8.198 4.119 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.321 -8.296 5.384 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.194 -7.805 5.825 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -2.142 -8.885 6.209 1.00 0.00 N -ATOM 163 H ARG A 10 -4.467 -6.356 -0.365 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.686 -5.955 2.330 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.845 -5.265 1.493 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.574 -4.863 3.049 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.938 -7.295 3.474 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -3.099 -7.655 1.964 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.044 -6.643 2.796 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.870 -6.101 4.271 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.719 -9.004 3.573 1.00 0.00 H -ATOM 172 HH11 ARG A 10 0.436 -7.355 5.193 1.00 0.00 H -ATOM 173 HH12 ARG A 10 0.039 -7.880 6.794 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -3.005 -9.261 5.873 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -1.909 -8.961 7.179 1.00 0.00 H -ATOM 176 N THR A 11 -6.459 -3.728 1.405 1.00 0.00 N -ATOM 177 CA THR A 11 -6.844 -2.383 0.887 1.00 0.00 C -ATOM 178 C THR A 11 -5.991 -1.314 1.583 1.00 0.00 C -ATOM 179 O THR A 11 -5.622 -1.464 2.733 1.00 0.00 O -ATOM 180 CB THR A 11 -8.320 -2.201 1.246 1.00 0.00 C -ATOM 181 OG1 THR A 11 -9.078 -3.257 0.672 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.817 -0.855 0.702 1.00 0.00 C -ATOM 183 H THR A 11 -7.049 -4.204 2.025 1.00 0.00 H -ATOM 184 HA THR A 11 -6.715 -2.346 -0.186 1.00 0.00 H -ATOM 185 HB THR A 11 -8.435 -2.215 2.318 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.916 -3.307 1.137 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.400 -0.354 1.461 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.433 -1.025 -0.169 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.973 -0.232 0.429 1.00 0.00 H -ATOM 190 N PHE A 12 -5.675 -0.243 0.901 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.846 0.829 1.523 1.00 0.00 C -ATOM 192 C PHE A 12 -5.673 2.104 1.688 1.00 0.00 C -ATOM 193 O PHE A 12 -6.083 2.717 0.725 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.671 1.045 0.561 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.730 -0.115 0.705 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -3.007 -1.294 0.021 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.594 -0.019 1.518 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.152 -2.395 0.148 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.733 -1.116 1.644 1.00 0.00 C -ATOM 200 CZ PHE A 12 -1.015 -2.307 0.962 1.00 0.00 C -ATOM 201 H PHE A 12 -5.983 -0.147 -0.024 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.473 0.501 2.481 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.030 1.091 -0.465 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.158 1.960 0.810 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.880 -1.349 -0.615 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.386 0.899 2.050 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.378 -3.316 -0.365 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.152 -1.043 2.260 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.353 -3.155 1.058 1.00 0.00 H -ATOM 210 N ARG A 13 -5.916 2.502 2.909 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.712 3.740 3.159 1.00 0.00 C -ATOM 212 C ARG A 13 -5.810 4.800 3.796 1.00 0.00 C -ATOM 213 O ARG A 13 -6.217 5.527 4.681 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.829 3.321 4.123 1.00 0.00 C -ATOM 215 CG ARG A 13 -7.225 2.735 5.412 1.00 0.00 C -ATOM 216 CD ARG A 13 -7.448 1.217 5.455 1.00 0.00 C -ATOM 217 NE ARG A 13 -8.431 0.999 6.554 1.00 0.00 N -ATOM 218 CZ ARG A 13 -9.633 0.571 6.280 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -9.815 -0.665 5.901 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -10.651 1.379 6.383 1.00 0.00 N -ATOM 221 H ARG A 13 -5.571 1.985 3.667 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.135 4.109 2.238 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.429 4.184 4.370 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.451 2.577 3.648 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -6.165 2.943 5.441 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -7.701 3.192 6.268 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -7.849 0.868 4.514 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -6.523 0.709 5.681 1.00 0.00 H -ATOM 229 HE ARG A 13 -8.174 1.176 7.483 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -9.033 -1.284 5.822 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -10.735 -0.993 5.690 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -10.512 2.324 6.674 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -11.573 1.051 6.172 1.00 0.00 H -ATOM 234 N ASN A 14 -4.583 4.873 3.353 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.630 5.865 3.926 1.00 0.00 C -ATOM 236 C ASN A 14 -2.405 5.999 3.010 1.00 0.00 C -ATOM 237 O ASN A 14 -1.824 5.018 2.586 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.257 5.279 5.297 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.124 6.079 5.936 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -1.037 5.573 6.125 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.345 7.313 6.283 1.00 0.00 N -ATOM 242 H ASN A 14 -4.285 4.264 2.645 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.113 6.821 4.054 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -4.119 5.321 5.943 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.947 4.252 5.176 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -3.229 7.707 6.131 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.632 7.844 6.693 1.00 0.00 H -ATOM 248 N GLU A 15 -2.022 7.211 2.703 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.841 7.431 1.809 1.00 0.00 C -ATOM 250 C GLU A 15 0.429 6.861 2.448 1.00 0.00 C -ATOM 251 O GLU A 15 1.246 6.251 1.783 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.729 8.949 1.660 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.021 9.282 0.345 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.126 10.784 0.074 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -1.200 11.226 -0.299 1.00 0.00 O -ATOM 256 OE2 GLU A 15 0.869 11.468 0.248 1.00 0.00 O -ATOM 257 H GLU A 15 -2.516 7.981 3.059 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.012 6.979 0.845 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.719 9.383 1.657 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.161 9.351 2.485 1.00 0.00 H -ATOM 261 HG2 GLU A 15 1.019 8.999 0.415 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.489 8.740 -0.462 1.00 0.00 H -ATOM 263 N LYS A 16 0.603 7.060 3.732 1.00 0.00 N -ATOM 264 CA LYS A 16 1.825 6.540 4.425 1.00 0.00 C -ATOM 265 C LYS A 16 1.987 5.039 4.184 1.00 0.00 C -ATOM 266 O LYS A 16 3.039 4.568 3.794 1.00 0.00 O -ATOM 267 CB LYS A 16 1.597 6.825 5.916 1.00 0.00 C -ATOM 268 CG LYS A 16 2.503 7.972 6.371 1.00 0.00 C -ATOM 269 CD LYS A 16 1.904 9.305 5.921 1.00 0.00 C -ATOM 270 CE LYS A 16 2.825 10.452 6.347 1.00 0.00 C -ATOM 271 NZ LYS A 16 3.625 10.775 5.133 1.00 0.00 N -ATOM 272 H LYS A 16 -0.065 7.560 4.239 1.00 0.00 H -ATOM 273 HA LYS A 16 2.686 7.062 4.081 1.00 0.00 H -ATOM 274 HB2 LYS A 16 0.566 7.101 6.073 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.823 5.940 6.491 1.00 0.00 H -ATOM 276 HG2 LYS A 16 2.585 7.958 7.449 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.483 7.852 5.934 1.00 0.00 H -ATOM 278 HD2 LYS A 16 1.800 9.308 4.845 1.00 0.00 H -ATOM 279 HD3 LYS A 16 0.935 9.438 6.377 1.00 0.00 H -ATOM 280 HE2 LYS A 16 2.238 11.308 6.653 1.00 0.00 H -ATOM 281 HE3 LYS A 16 3.476 10.135 7.147 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 4.207 11.617 5.315 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 2.986 10.962 4.336 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 4.243 9.969 4.902 1.00 0.00 H -ATOM 285 N GLU A 17 0.945 4.298 4.410 1.00 0.00 N -ATOM 286 CA GLU A 17 0.997 2.814 4.198 1.00 0.00 C -ATOM 287 C GLU A 17 1.407 2.499 2.757 1.00 0.00 C -ATOM 288 O GLU A 17 2.384 1.819 2.510 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.428 2.316 4.453 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.733 2.351 5.950 1.00 0.00 C -ATOM 291 CD GLU A 17 0.180 1.367 6.685 1.00 0.00 C -ATOM 292 OE1 GLU A 17 1.264 1.770 7.070 1.00 0.00 O -ATOM 293 OE2 GLU A 17 -0.222 0.226 6.850 1.00 0.00 O -ATOM 294 H GLU A 17 0.123 4.724 4.720 1.00 0.00 H -ATOM 295 HA GLU A 17 1.680 2.355 4.896 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.128 2.952 3.929 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.523 1.303 4.092 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.567 3.349 6.328 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.762 2.071 6.110 1.00 0.00 H -ATOM 300 N LEU A 18 0.657 2.995 1.807 1.00 0.00 N -ATOM 301 CA LEU A 18 0.978 2.741 0.366 1.00 0.00 C -ATOM 302 C LEU A 18 2.401 3.209 0.048 1.00 0.00 C -ATOM 303 O LEU A 18 3.160 2.512 -0.597 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.063 3.558 -0.417 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.424 2.859 -1.736 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.979 1.448 -1.464 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.485 3.692 -2.465 1.00 0.00 C -ATOM 308 H LEU A 18 -0.123 3.538 2.044 1.00 0.00 H -ATOM 309 HA LEU A 18 0.878 1.694 0.141 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -0.954 3.668 0.183 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.343 4.536 -0.633 1.00 0.00 H -ATOM 312 HG LEU A 18 0.454 2.791 -2.353 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.899 1.226 -0.420 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.415 0.713 -2.028 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -2.017 1.399 -1.757 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.142 4.151 -1.741 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -2.060 3.050 -3.117 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.002 4.459 -3.050 1.00 0.00 H -ATOM 319 N ARG A 19 2.772 4.376 0.511 1.00 0.00 N -ATOM 320 CA ARG A 19 4.154 4.878 0.247 1.00 0.00 C -ATOM 321 C ARG A 19 5.188 3.932 0.872 1.00 0.00 C -ATOM 322 O ARG A 19 6.339 3.914 0.477 1.00 0.00 O -ATOM 323 CB ARG A 19 4.219 6.255 0.908 1.00 0.00 C -ATOM 324 CG ARG A 19 3.405 7.256 0.085 1.00 0.00 C -ATOM 325 CD ARG A 19 4.332 8.002 -0.879 1.00 0.00 C -ATOM 326 NE ARG A 19 3.520 8.207 -2.111 1.00 0.00 N -ATOM 327 CZ ARG A 19 3.521 7.302 -3.051 1.00 0.00 C -ATOM 328 NH1 ARG A 19 4.601 7.093 -3.754 1.00 0.00 N -ATOM 329 NH2 ARG A 19 2.444 6.605 -3.287 1.00 0.00 N -ATOM 330 H ARG A 19 2.144 4.913 1.039 1.00 0.00 H -ATOM 331 HA ARG A 19 4.323 4.971 -0.813 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.813 6.194 1.907 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.247 6.582 0.955 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.649 6.728 -0.479 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.931 7.966 0.746 1.00 0.00 H -ATOM 336 HD2 ARG A 19 4.626 8.952 -0.456 1.00 0.00 H -ATOM 337 HD3 ARG A 19 5.201 7.404 -1.104 1.00 0.00 H -ATOM 338 HE ARG A 19 2.985 9.021 -2.216 1.00 0.00 H -ATOM 339 HH11 ARG A 19 5.427 7.626 -3.573 1.00 0.00 H -ATOM 340 HH12 ARG A 19 4.601 6.399 -4.474 1.00 0.00 H -ATOM 341 HH21 ARG A 19 1.617 6.763 -2.748 1.00 0.00 H -ATOM 342 HH22 ARG A 19 2.445 5.911 -4.008 1.00 0.00 H -ATOM 343 N ASP A 20 4.787 3.145 1.843 1.00 0.00 N -ATOM 344 CA ASP A 20 5.742 2.200 2.494 1.00 0.00 C -ATOM 345 C ASP A 20 5.568 0.788 1.925 1.00 0.00 C -ATOM 346 O ASP A 20 6.523 0.045 1.795 1.00 0.00 O -ATOM 347 CB ASP A 20 5.380 2.230 3.979 1.00 0.00 C -ATOM 348 CG ASP A 20 6.469 1.520 4.784 1.00 0.00 C -ATOM 349 OD1 ASP A 20 6.580 0.311 4.656 1.00 0.00 O -ATOM 350 OD2 ASP A 20 7.174 2.196 5.514 1.00 0.00 O -ATOM 351 H ASP A 20 3.856 3.176 2.146 1.00 0.00 H -ATOM 352 HA ASP A 20 6.757 2.538 2.356 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.298 3.256 4.308 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.437 1.726 4.130 1.00 0.00 H -ATOM 355 N PHE A 21 4.357 0.410 1.587 1.00 0.00 N -ATOM 356 CA PHE A 21 4.129 -0.958 1.028 1.00 0.00 C -ATOM 357 C PHE A 21 4.864 -1.124 -0.310 1.00 0.00 C -ATOM 358 O PHE A 21 5.864 -1.810 -0.398 1.00 0.00 O -ATOM 359 CB PHE A 21 2.620 -1.088 0.819 1.00 0.00 C -ATOM 360 CG PHE A 21 2.359 -2.466 0.276 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.314 -3.539 1.157 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.202 -2.671 -1.100 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.099 -4.835 0.675 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.989 -3.965 -1.589 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.934 -5.047 -0.701 1.00 0.00 C -ATOM 366 H PHE A 21 3.602 1.026 1.702 1.00 0.00 H -ATOM 367 HA PHE A 21 4.452 -1.715 1.732 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.116 -0.965 1.759 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.262 -0.348 0.125 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.456 -3.363 2.213 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.247 -1.831 -1.786 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.056 -5.668 1.360 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.874 -4.129 -2.649 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.771 -6.046 -1.076 1.00 0.00 H -ATOM 375 N ILE A 22 4.354 -0.511 -1.353 1.00 0.00 N -ATOM 376 CA ILE A 22 4.986 -0.624 -2.709 1.00 0.00 C -ATOM 377 C ILE A 22 6.495 -0.364 -2.613 1.00 0.00 C -ATOM 378 O ILE A 22 7.284 -0.923 -3.350 1.00 0.00 O -ATOM 379 CB ILE A 22 4.292 0.449 -3.556 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.819 0.068 -3.734 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.946 0.517 -4.938 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.936 0.935 -2.844 1.00 0.00 C -ATOM 383 H ILE A 22 3.545 0.018 -1.242 1.00 0.00 H -ATOM 384 HA ILE A 22 4.786 -1.597 -3.135 1.00 0.00 H -ATOM 385 HB ILE A 22 4.369 1.408 -3.065 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.535 0.214 -4.763 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.681 -0.966 -3.467 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.521 1.337 -5.496 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.762 -0.410 -5.460 1.00 0.00 H -ATOM 390 HG23 ILE A 22 6.009 0.665 -4.828 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.709 0.399 -1.933 1.00 0.00 H -ATOM 392 HD12 ILE A 22 1.017 1.164 -3.363 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.454 1.850 -2.604 1.00 0.00 H -ATOM 394 N GLU A 23 6.884 0.477 -1.694 1.00 0.00 N -ATOM 395 CA GLU A 23 8.336 0.780 -1.519 1.00 0.00 C -ATOM 396 C GLU A 23 9.074 -0.489 -1.088 1.00 0.00 C -ATOM 397 O GLU A 23 10.222 -0.701 -1.435 1.00 0.00 O -ATOM 398 CB GLU A 23 8.403 1.842 -0.420 1.00 0.00 C -ATOM 399 CG GLU A 23 9.856 2.270 -0.210 1.00 0.00 C -ATOM 400 CD GLU A 23 10.495 1.396 0.872 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.208 1.625 2.035 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.258 0.512 0.518 1.00 0.00 O -ATOM 403 H GLU A 23 6.214 0.901 -1.112 1.00 0.00 H -ATOM 404 HA GLU A 23 8.755 1.165 -2.436 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.813 2.699 -0.713 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.013 1.433 0.500 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.402 2.154 -1.136 1.00 0.00 H -ATOM 408 HG3 GLU A 23 9.887 3.303 0.100 1.00 0.00 H -ATOM 409 N LYS A 24 8.414 -1.337 -0.344 1.00 0.00 N -ATOM 410 CA LYS A 24 9.056 -2.605 0.109 1.00 0.00 C -ATOM 411 C LYS A 24 8.720 -3.730 -0.872 1.00 0.00 C -ATOM 412 O LYS A 24 9.590 -4.447 -1.329 1.00 0.00 O -ATOM 413 CB LYS A 24 8.452 -2.892 1.484 1.00 0.00 C -ATOM 414 CG LYS A 24 9.113 -4.136 2.081 1.00 0.00 C -ATOM 415 CD LYS A 24 8.794 -4.216 3.575 1.00 0.00 C -ATOM 416 CE LYS A 24 9.898 -3.517 4.371 1.00 0.00 C -ATOM 417 NZ LYS A 24 9.382 -3.449 5.766 1.00 0.00 N -ATOM 418 H LYS A 24 7.487 -1.143 -0.087 1.00 0.00 H -ATOM 419 HA LYS A 24 10.124 -2.480 0.191 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.619 -2.045 2.134 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.391 -3.064 1.383 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.737 -5.017 1.583 1.00 0.00 H -ATOM 423 HG3 LYS A 24 10.182 -4.074 1.947 1.00 0.00 H -ATOM 424 HD2 LYS A 24 7.848 -3.732 3.768 1.00 0.00 H -ATOM 425 HD3 LYS A 24 8.737 -5.251 3.876 1.00 0.00 H -ATOM 426 HE2 LYS A 24 10.812 -4.097 4.332 1.00 0.00 H -ATOM 427 HE3 LYS A 24 10.065 -2.523 3.989 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 8.468 -2.955 5.774 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 10.059 -2.930 6.361 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 9.260 -4.414 6.137 1.00 0.00 H -ATOM 431 N PHE A 25 7.459 -3.886 -1.199 1.00 0.00 N -ATOM 432 CA PHE A 25 7.054 -4.953 -2.148 1.00 0.00 C -ATOM 433 C PHE A 25 7.112 -4.435 -3.588 1.00 0.00 C -ATOM 434 O PHE A 25 6.161 -4.553 -4.338 1.00 0.00 O -ATOM 435 CB PHE A 25 5.618 -5.307 -1.756 1.00 0.00 C -ATOM 436 CG PHE A 25 5.128 -6.462 -2.597 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.883 -7.637 -2.692 1.00 0.00 C -ATOM 438 CD2 PHE A 25 3.912 -6.354 -3.280 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.421 -8.705 -3.471 1.00 0.00 C -ATOM 440 CE2 PHE A 25 3.450 -7.422 -4.059 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.204 -8.598 -4.154 1.00 0.00 C -ATOM 442 H PHE A 25 6.782 -3.301 -0.820 1.00 0.00 H -ATOM 443 HA PHE A 25 7.686 -5.807 -2.026 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.587 -5.585 -0.714 1.00 0.00 H -ATOM 445 HB3 PHE A 25 4.978 -4.452 -1.920 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.823 -7.719 -2.165 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.333 -5.447 -3.206 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.004 -9.612 -3.544 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.510 -7.338 -4.585 1.00 0.00 H -ATOM 450 HZ PHE A 25 3.846 -9.421 -4.754 1.00 0.00 H -ATOM 451 N LYS A 26 8.222 -3.859 -3.973 1.00 0.00 N -ATOM 452 CA LYS A 26 8.356 -3.326 -5.366 1.00 0.00 C -ATOM 453 C LYS A 26 8.197 -4.442 -6.402 1.00 0.00 C -ATOM 454 O LYS A 26 7.946 -4.186 -7.566 1.00 0.00 O -ATOM 455 CB LYS A 26 9.766 -2.733 -5.436 1.00 0.00 C -ATOM 456 CG LYS A 26 9.879 -1.564 -4.456 1.00 0.00 C -ATOM 457 CD LYS A 26 11.290 -0.977 -4.522 1.00 0.00 C -ATOM 458 CE LYS A 26 12.279 -1.941 -3.860 1.00 0.00 C -ATOM 459 NZ LYS A 26 12.497 -1.388 -2.493 1.00 0.00 N -ATOM 460 H LYS A 26 8.969 -3.778 -3.345 1.00 0.00 H -ATOM 461 HA LYS A 26 7.629 -2.558 -5.538 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.487 -3.495 -5.175 1.00 0.00 H -ATOM 463 HB3 LYS A 26 9.960 -2.383 -6.439 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.159 -0.802 -4.721 1.00 0.00 H -ATOM 465 HG3 LYS A 26 9.683 -1.913 -3.455 1.00 0.00 H -ATOM 466 HD2 LYS A 26 11.571 -0.828 -5.554 1.00 0.00 H -ATOM 467 HD3 LYS A 26 11.312 -0.032 -4.002 1.00 0.00 H -ATOM 468 HE2 LYS A 26 11.855 -2.935 -3.803 1.00 0.00 H -ATOM 469 HE3 LYS A 26 13.211 -1.958 -4.403 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 13.154 -2.001 -1.971 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 11.590 -1.345 -1.987 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 12.899 -0.430 -2.567 1.00 0.00 H -ATOM 473 N GLY A 27 8.343 -5.674 -5.992 1.00 0.00 N -ATOM 474 CA GLY A 27 8.207 -6.818 -6.946 1.00 0.00 C -ATOM 475 C GLY A 27 6.832 -6.778 -7.622 1.00 0.00 C -ATOM 476 O GLY A 27 6.698 -6.326 -8.743 1.00 0.00 O -ATOM 477 H GLY A 27 8.548 -5.846 -5.054 1.00 0.00 H -ATOM 478 HA2 GLY A 27 8.980 -6.752 -7.699 1.00 0.00 H -ATOM 479 HA3 GLY A 27 8.310 -7.748 -6.407 1.00 0.00 H -ATOM 480 N ARG A 28 5.814 -7.248 -6.946 1.00 0.00 N -ATOM 481 CA ARG A 28 4.445 -7.241 -7.544 1.00 0.00 C -ATOM 482 C ARG A 28 3.554 -6.234 -6.808 1.00 0.00 C -ATOM 483 O ARG A 28 4.097 -5.377 -6.130 1.00 0.00 O -ATOM 484 CB ARG A 28 3.920 -8.672 -7.357 1.00 0.00 C -ATOM 485 CG ARG A 28 3.436 -9.231 -8.702 1.00 0.00 C -ATOM 486 CD ARG A 28 3.873 -10.696 -8.844 1.00 0.00 C -ATOM 487 NE ARG A 28 2.605 -11.476 -8.913 1.00 0.00 N -ATOM 488 CZ ARG A 28 2.591 -12.730 -8.552 1.00 0.00 C -ATOM 489 NH1 ARG A 28 3.566 -13.523 -8.906 1.00 0.00 N -ATOM 490 NH2 ARG A 28 1.601 -13.193 -7.840 1.00 0.00 N -ATOM 491 OXT ARG A 28 2.345 -6.340 -6.936 1.00 0.00 O -ATOM 492 H ARG A 28 5.951 -7.607 -6.044 1.00 0.00 H -ATOM 493 HA ARG A 28 4.497 -6.998 -8.593 1.00 0.00 H -ATOM 494 HB2 ARG A 28 4.711 -9.298 -6.970 1.00 0.00 H -ATOM 495 HB3 ARG A 28 3.096 -8.666 -6.658 1.00 0.00 H -ATOM 496 HG2 ARG A 28 2.359 -9.168 -8.749 1.00 0.00 H -ATOM 497 HG3 ARG A 28 3.864 -8.653 -9.508 1.00 0.00 H -ATOM 498 HD2 ARG A 28 4.446 -10.829 -9.752 1.00 0.00 H -ATOM 499 HD3 ARG A 28 4.450 -11.006 -7.986 1.00 0.00 H -ATOM 500 HE ARG A 28 1.782 -11.047 -9.227 1.00 0.00 H -ATOM 501 HH11 ARG A 28 4.326 -13.169 -9.452 1.00 0.00 H -ATOM 502 HH12 ARG A 28 3.555 -14.484 -8.630 1.00 0.00 H -ATOM 503 HH21 ARG A 28 0.854 -12.586 -7.568 1.00 0.00 H -ATOM 504 HH22 ARG A 28 1.589 -14.155 -7.564 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 4 -ATOM 1 N GLU A 1 -13.278 7.833 4.744 1.00 0.00 N -ATOM 2 CA GLU A 1 -13.502 8.257 3.331 1.00 0.00 C -ATOM 3 C GLU A 1 -12.161 8.345 2.593 1.00 0.00 C -ATOM 4 O GLU A 1 -11.561 9.400 2.501 1.00 0.00 O -ATOM 5 CB GLU A 1 -14.164 9.639 3.427 1.00 0.00 C -ATOM 6 CG GLU A 1 -15.437 9.664 2.577 1.00 0.00 C -ATOM 7 CD GLU A 1 -15.771 11.109 2.202 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -15.110 11.641 1.325 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -16.683 11.659 2.796 1.00 0.00 O -ATOM 10 H1 GLU A 1 -12.632 8.501 5.210 1.00 0.00 H -ATOM 11 H2 GLU A 1 -12.862 6.879 4.758 1.00 0.00 H -ATOM 12 H3 GLU A 1 -14.185 7.823 5.251 1.00 0.00 H -ATOM 13 HA GLU A 1 -14.159 7.563 2.832 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -14.418 9.846 4.457 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -13.482 10.394 3.069 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -15.281 9.084 1.678 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -16.255 9.242 3.140 1.00 0.00 H -ATOM 18 N GLN A 2 -11.690 7.241 2.068 1.00 0.00 N -ATOM 19 CA GLN A 2 -10.388 7.251 1.335 1.00 0.00 C -ATOM 20 C GLN A 2 -10.356 6.124 0.299 1.00 0.00 C -ATOM 21 O GLN A 2 -11.120 5.180 0.370 1.00 0.00 O -ATOM 22 CB GLN A 2 -9.325 7.018 2.412 1.00 0.00 C -ATOM 23 CG GLN A 2 -8.667 8.352 2.790 1.00 0.00 C -ATOM 24 CD GLN A 2 -9.259 8.873 4.105 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -10.265 8.378 4.575 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -8.671 9.861 4.723 1.00 0.00 N -ATOM 27 H GLN A 2 -12.193 6.406 2.158 1.00 0.00 H -ATOM 28 HA GLN A 2 -10.230 8.204 0.859 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -9.788 6.583 3.286 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -8.571 6.344 2.033 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -7.604 8.204 2.910 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -8.842 9.076 2.008 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -7.860 10.261 4.345 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -9.040 10.202 5.563 1.00 0.00 H -ATOM 35 N TYR A 3 -9.475 6.220 -0.666 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.380 5.162 -1.723 1.00 0.00 C -ATOM 37 C TYR A 3 -9.189 3.772 -1.106 1.00 0.00 C -ATOM 38 O TYR A 3 -8.682 3.632 -0.010 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.175 5.543 -2.590 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.960 5.779 -1.729 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.341 4.714 -1.066 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.463 7.076 -1.588 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.225 4.950 -0.266 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.346 7.312 -0.788 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.725 6.249 -0.126 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.620 6.483 0.662 1.00 0.00 O -ATOM 47 H TYR A 3 -8.874 6.994 -0.702 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.262 5.174 -2.324 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -7.968 4.747 -3.289 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.405 6.447 -3.132 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.722 3.712 -1.172 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.943 7.897 -2.100 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.753 4.131 0.243 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.966 8.313 -0.680 1.00 0.00 H -ATOM 55 HH TYR A 3 -3.050 7.101 0.199 1.00 0.00 H -ATOM 56 N THR A 4 -9.597 2.747 -1.812 1.00 0.00 N -ATOM 57 CA THR A 4 -9.449 1.357 -1.287 1.00 0.00 C -ATOM 58 C THR A 4 -8.447 0.572 -2.138 1.00 0.00 C -ATOM 59 O THR A 4 -8.671 -0.574 -2.478 1.00 0.00 O -ATOM 60 CB THR A 4 -10.846 0.743 -1.399 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.384 1.029 -2.682 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.753 1.335 -0.320 1.00 0.00 C -ATOM 63 H THR A 4 -10.001 2.893 -2.693 1.00 0.00 H -ATOM 64 HA THR A 4 -9.136 1.375 -0.255 1.00 0.00 H -ATOM 65 HB THR A 4 -10.783 -0.325 -1.264 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.203 0.538 -2.776 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.475 2.363 -0.141 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.644 0.768 0.593 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.780 1.292 -0.650 1.00 0.00 H -ATOM 70 N ALA A 5 -7.344 1.186 -2.486 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.309 0.497 -3.322 1.00 0.00 C -ATOM 72 C ALA A 5 -5.934 -0.859 -2.731 1.00 0.00 C -ATOM 73 O ALA A 5 -5.566 -0.947 -1.585 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.085 1.405 -3.275 1.00 0.00 C -ATOM 75 H ALA A 5 -7.197 2.108 -2.202 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.651 0.394 -4.335 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.397 2.433 -3.179 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.514 1.280 -4.183 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.472 1.129 -2.421 1.00 0.00 H -ATOM 80 N LYS A 6 -5.992 -1.900 -3.512 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.607 -3.248 -2.993 1.00 0.00 C -ATOM 82 C LYS A 6 -4.359 -3.740 -3.724 1.00 0.00 C -ATOM 83 O LYS A 6 -4.178 -3.488 -4.900 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.797 -4.171 -3.267 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.176 -4.119 -4.753 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.426 -5.537 -5.280 1.00 0.00 C -ATOM 87 CE LYS A 6 -6.831 -5.679 -6.684 1.00 0.00 C -ATOM 88 NZ LYS A 6 -6.417 -7.107 -6.782 1.00 0.00 N -ATOM 89 H LYS A 6 -6.268 -1.791 -4.445 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.420 -3.198 -1.932 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.528 -5.182 -2.997 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.640 -3.854 -2.672 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -8.073 -3.528 -4.867 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.373 -3.662 -5.312 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -6.961 -6.256 -4.619 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.488 -5.723 -5.323 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -7.576 -5.448 -7.432 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -5.971 -5.037 -6.795 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -7.236 -7.719 -6.595 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -5.674 -7.303 -6.083 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -6.053 -7.296 -7.738 1.00 0.00 H -ATOM 102 N TYR A 7 -3.493 -4.426 -3.028 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.239 -4.924 -3.667 1.00 0.00 C -ATOM 104 C TYR A 7 -2.092 -6.434 -3.449 1.00 0.00 C -ATOM 105 O TYR A 7 -2.357 -7.224 -4.335 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.124 -4.154 -2.966 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.140 -2.734 -3.457 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.147 -1.864 -3.033 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.149 -2.289 -4.328 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.165 -0.542 -3.486 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.158 -0.970 -4.784 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.167 -0.092 -4.364 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.180 1.213 -4.812 1.00 0.00 O -ATOM 114 H TYR A 7 -3.662 -4.604 -2.080 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.235 -4.687 -4.719 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.286 -4.170 -1.898 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.170 -4.604 -3.196 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.913 -2.215 -2.360 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.625 -2.968 -4.653 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.941 0.132 -3.151 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.620 -0.628 -5.449 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.041 1.202 -5.762 1.00 0.00 H -ATOM 123 N LYS A 8 -1.684 -6.837 -2.272 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.529 -8.292 -1.980 1.00 0.00 C -ATOM 125 C LYS A 8 -2.619 -8.726 -0.999 1.00 0.00 C -ATOM 126 O LYS A 8 -2.342 -9.283 0.048 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.144 -8.423 -1.344 1.00 0.00 C -ATOM 128 CG LYS A 8 0.215 -9.903 -1.201 1.00 0.00 C -ATOM 129 CD LYS A 8 0.820 -10.409 -2.511 1.00 0.00 C -ATOM 130 CE LYS A 8 1.882 -11.468 -2.208 1.00 0.00 C -ATOM 131 NZ LYS A 8 1.128 -12.613 -1.626 1.00 0.00 N -ATOM 132 H LYS A 8 -1.487 -6.179 -1.574 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.580 -8.871 -2.889 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.587 -7.932 -1.970 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.152 -7.961 -0.368 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.931 -10.024 -0.402 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -0.676 -10.470 -0.977 1.00 0.00 H -ATOM 138 HD2 LYS A 8 0.042 -10.843 -3.123 1.00 0.00 H -ATOM 139 HD3 LYS A 8 1.276 -9.586 -3.039 1.00 0.00 H -ATOM 140 HE2 LYS A 8 2.383 -11.767 -3.119 1.00 0.00 H -ATOM 141 HE3 LYS A 8 2.595 -11.092 -1.491 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 0.682 -12.315 -0.733 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 1.781 -13.401 -1.442 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 0.395 -12.921 -2.295 1.00 0.00 H -ATOM 145 N GLY A 9 -3.857 -8.454 -1.326 1.00 0.00 N -ATOM 146 CA GLY A 9 -4.976 -8.824 -0.414 1.00 0.00 C -ATOM 147 C GLY A 9 -5.008 -7.830 0.749 1.00 0.00 C -ATOM 148 O GLY A 9 -5.360 -8.171 1.862 1.00 0.00 O -ATOM 149 H GLY A 9 -4.048 -7.992 -2.169 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -5.912 -8.785 -0.954 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.819 -9.820 -0.030 1.00 0.00 H -ATOM 152 N ARG A 10 -4.630 -6.601 0.493 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.620 -5.570 1.574 1.00 0.00 C -ATOM 154 C ARG A 10 -5.027 -4.208 1.010 1.00 0.00 C -ATOM 155 O ARG A 10 -4.260 -3.571 0.312 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.169 -5.511 2.060 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.727 -6.891 2.556 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.339 -6.784 3.190 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.331 -7.800 4.278 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.120 -7.432 5.513 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.163 -6.589 5.787 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.865 -7.909 6.471 1.00 0.00 N -ATOM 163 H ARG A 10 -4.345 -6.358 -0.412 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.271 -5.859 2.384 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.530 -5.195 1.243 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.091 -4.799 2.869 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.432 -7.253 3.290 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.688 -7.578 1.724 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.575 -7.007 2.458 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.189 -5.798 3.604 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.483 -8.745 4.067 1.00 0.00 H -ATOM 172 HH11 ARG A 10 0.408 -6.224 5.052 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -0.001 -6.306 6.732 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -2.598 -8.556 6.262 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -1.703 -7.627 7.417 1.00 0.00 H -ATOM 176 N THR A 11 -6.216 -3.747 1.314 1.00 0.00 N -ATOM 177 CA THR A 11 -6.644 -2.416 0.795 1.00 0.00 C -ATOM 178 C THR A 11 -5.860 -1.312 1.514 1.00 0.00 C -ATOM 179 O THR A 11 -5.474 -1.469 2.658 1.00 0.00 O -ATOM 180 CB THR A 11 -8.135 -2.294 1.113 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.824 -3.422 0.591 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.684 -1.012 0.476 1.00 0.00 C -ATOM 183 H THR A 11 -6.817 -4.270 1.886 1.00 0.00 H -ATOM 184 HA THR A 11 -6.493 -2.367 -0.272 1.00 0.00 H -ATOM 185 HB THR A 11 -8.274 -2.248 2.182 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.743 -3.359 0.861 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.336 -0.512 1.177 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.238 -1.263 -0.415 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.865 -0.353 0.215 1.00 0.00 H -ATOM 190 N PHE A 12 -5.616 -0.205 0.859 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.851 0.899 1.512 1.00 0.00 C -ATOM 192 C PHE A 12 -5.720 2.145 1.668 1.00 0.00 C -ATOM 193 O PHE A 12 -6.332 2.615 0.729 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.669 1.168 0.580 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.656 0.076 0.771 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.773 -1.096 0.023 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.607 0.230 1.689 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.842 -2.130 0.190 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.673 -0.803 1.856 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.793 -1.983 1.107 1.00 0.00 C -ATOM 201 H PHE A 12 -5.931 -0.101 -0.063 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.487 0.578 2.475 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.003 1.172 -0.454 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.223 2.122 0.823 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.585 -1.198 -0.688 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.521 1.139 2.275 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.935 -3.044 -0.380 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.140 -0.689 2.557 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.074 -2.777 1.236 1.00 0.00 H -ATOM 210 N ARG A 13 -5.765 2.684 2.857 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.574 3.910 3.110 1.00 0.00 C -ATOM 212 C ARG A 13 -5.684 4.963 3.772 1.00 0.00 C -ATOM 213 O ARG A 13 -6.092 5.661 4.681 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.703 3.468 4.051 1.00 0.00 C -ATOM 215 CG ARG A 13 -7.120 2.885 5.344 1.00 0.00 C -ATOM 216 CD ARG A 13 -8.257 2.424 6.263 1.00 0.00 C -ATOM 217 NE ARG A 13 -8.229 0.935 6.194 1.00 0.00 N -ATOM 218 CZ ARG A 13 -9.212 0.290 5.628 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -10.445 0.543 5.974 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -8.963 -0.610 4.716 1.00 0.00 N -ATOM 221 H ARG A 13 -5.252 2.281 3.589 1.00 0.00 H -ATOM 222 HA ARG A 13 -6.985 4.288 2.187 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.324 4.319 4.290 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.303 2.715 3.560 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -6.486 2.044 5.107 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -6.539 3.642 5.850 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -8.079 2.757 7.276 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.207 2.791 5.906 1.00 0.00 H -ATOM 229 HE ARG A 13 -7.472 0.442 6.571 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -10.636 1.233 6.673 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -11.198 0.048 5.541 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -8.019 -0.806 4.451 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -9.716 -1.106 4.284 1.00 0.00 H -ATOM 234 N ASN A 14 -4.463 5.064 3.319 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.509 6.052 3.905 1.00 0.00 C -ATOM 236 C ASN A 14 -2.271 6.164 3.003 1.00 0.00 C -ATOM 237 O ASN A 14 -1.604 5.187 2.721 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.158 5.477 5.290 1.00 0.00 C -ATOM 239 CG ASN A 14 -1.974 6.227 5.905 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -0.912 5.665 6.097 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.119 7.477 6.225 1.00 0.00 N -ATOM 242 H ASN A 14 -4.169 4.479 2.587 1.00 0.00 H -ATOM 243 HA ASN A 14 -3.984 7.014 4.013 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -4.012 5.587 5.941 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.911 4.432 5.194 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -2.978 7.920 6.067 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.374 7.972 6.622 1.00 0.00 H -ATOM 248 N GLU A 15 -1.975 7.352 2.545 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.792 7.553 1.648 1.00 0.00 C -ATOM 250 C GLU A 15 0.491 7.039 2.312 1.00 0.00 C -ATOM 251 O GLU A 15 1.270 6.327 1.706 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.711 9.065 1.433 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.177 9.354 0.029 1.00 0.00 C -ATOM 254 CD GLU A 15 0.160 10.842 -0.094 1.00 0.00 C -ATOM 255 OE1 GLU A 15 0.666 11.396 0.868 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -0.094 11.402 -1.147 1.00 0.00 O -ATOM 257 H GLU A 15 -2.540 8.118 2.786 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.949 7.057 0.704 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.698 9.494 1.539 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.049 9.499 2.166 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.714 8.767 -0.146 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.927 9.096 -0.703 1.00 0.00 H -ATOM 263 N LYS A 16 0.716 7.397 3.552 1.00 0.00 N -ATOM 264 CA LYS A 16 1.948 6.938 4.264 1.00 0.00 C -ATOM 265 C LYS A 16 2.041 5.412 4.249 1.00 0.00 C -ATOM 266 O LYS A 16 3.084 4.836 4.000 1.00 0.00 O -ATOM 267 CB LYS A 16 1.799 7.450 5.702 1.00 0.00 C -ATOM 268 CG LYS A 16 3.118 8.071 6.171 1.00 0.00 C -ATOM 269 CD LYS A 16 4.060 6.969 6.656 1.00 0.00 C -ATOM 270 CE LYS A 16 3.846 6.730 8.157 1.00 0.00 C -ATOM 271 NZ LYS A 16 3.629 5.261 8.288 1.00 0.00 N -ATOM 272 H LYS A 16 0.076 7.974 4.011 1.00 0.00 H -ATOM 273 HA LYS A 16 2.811 7.366 3.810 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.018 8.195 5.739 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.540 6.627 6.352 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.576 8.603 5.349 1.00 0.00 H -ATOM 277 HG3 LYS A 16 2.923 8.759 6.980 1.00 0.00 H -ATOM 278 HD2 LYS A 16 3.859 6.058 6.111 1.00 0.00 H -ATOM 279 HD3 LYS A 16 5.083 7.271 6.486 1.00 0.00 H -ATOM 280 HE2 LYS A 16 4.723 7.032 8.712 1.00 0.00 H -ATOM 281 HE3 LYS A 16 2.976 7.263 8.507 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 4.463 4.754 7.932 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 2.795 4.983 7.735 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 3.477 5.021 9.289 1.00 0.00 H -ATOM 285 N GLU A 17 0.948 4.769 4.519 1.00 0.00 N -ATOM 286 CA GLU A 17 0.918 3.272 4.537 1.00 0.00 C -ATOM 287 C GLU A 17 1.366 2.703 3.189 1.00 0.00 C -ATOM 288 O GLU A 17 2.410 2.088 3.074 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.553 2.903 4.778 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.785 2.534 6.242 1.00 0.00 C -ATOM 291 CD GLU A 17 0.077 1.326 6.623 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.018 0.334 5.915 1.00 0.00 O -ATOM 293 OE2 GLU A 17 0.780 1.415 7.615 1.00 0.00 O -ATOM 294 H GLU A 17 0.139 5.281 4.715 1.00 0.00 H -ATOM 295 HA GLU A 17 1.533 2.888 5.335 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.176 3.746 4.520 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.819 2.062 4.154 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.531 3.374 6.870 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.826 2.283 6.377 1.00 0.00 H -ATOM 300 N LEU A 18 0.558 2.881 2.178 1.00 0.00 N -ATOM 301 CA LEU A 18 0.882 2.333 0.827 1.00 0.00 C -ATOM 302 C LEU A 18 2.292 2.725 0.377 1.00 0.00 C -ATOM 303 O LEU A 18 3.059 1.885 -0.044 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.171 2.927 -0.110 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.085 2.244 -1.473 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.580 0.799 -1.361 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -0.958 3.001 -2.476 1.00 0.00 C -ATOM 308 H LEU A 18 -0.285 3.359 2.317 1.00 0.00 H -ATOM 309 HA LEU A 18 0.792 1.263 0.842 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.154 2.772 0.310 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.009 3.985 -0.228 1.00 0.00 H -ATOM 312 HG LEU A 18 0.938 2.249 -1.811 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.298 0.387 -0.409 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.139 0.206 -2.146 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.655 0.780 -1.456 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -1.960 2.597 -2.458 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -0.544 2.894 -3.467 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -0.987 4.048 -2.209 1.00 0.00 H -ATOM 319 N ARG A 19 2.650 3.983 0.461 1.00 0.00 N -ATOM 320 CA ARG A 19 4.027 4.391 0.028 1.00 0.00 C -ATOM 321 C ARG A 19 5.074 3.546 0.768 1.00 0.00 C -ATOM 322 O ARG A 19 6.123 3.233 0.237 1.00 0.00 O -ATOM 323 CB ARG A 19 4.152 5.868 0.391 1.00 0.00 C -ATOM 324 CG ARG A 19 3.288 6.690 -0.565 1.00 0.00 C -ATOM 325 CD ARG A 19 4.118 7.104 -1.781 1.00 0.00 C -ATOM 326 NE ARG A 19 3.124 7.305 -2.873 1.00 0.00 N -ATOM 327 CZ ARG A 19 3.099 6.491 -3.894 1.00 0.00 C -ATOM 328 NH1 ARG A 19 3.247 5.207 -3.713 1.00 0.00 N -ATOM 329 NH2 ARG A 19 2.923 6.962 -5.098 1.00 0.00 N -ATOM 330 H ARG A 19 2.022 4.653 0.806 1.00 0.00 H -ATOM 331 HA ARG A 19 4.128 4.261 -1.042 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.816 6.019 1.407 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.181 6.176 0.299 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.448 6.093 -0.889 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.927 7.573 -0.058 1.00 0.00 H -ATOM 336 HD2 ARG A 19 4.649 8.025 -1.577 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.809 6.321 -2.050 1.00 0.00 H -ATOM 338 HE ARG A 19 2.488 8.049 -2.824 1.00 0.00 H -ATOM 339 HH11 ARG A 19 3.380 4.845 -2.791 1.00 0.00 H -ATOM 340 HH12 ARG A 19 3.227 4.585 -4.496 1.00 0.00 H -ATOM 341 HH21 ARG A 19 2.806 7.945 -5.238 1.00 0.00 H -ATOM 342 HH22 ARG A 19 2.902 6.339 -5.881 1.00 0.00 H -ATOM 343 N ASP A 20 4.764 3.141 1.975 1.00 0.00 N -ATOM 344 CA ASP A 20 5.702 2.272 2.744 1.00 0.00 C -ATOM 345 C ASP A 20 5.598 0.856 2.175 1.00 0.00 C -ATOM 346 O ASP A 20 6.580 0.164 1.991 1.00 0.00 O -ATOM 347 CB ASP A 20 5.207 2.321 4.191 1.00 0.00 C -ATOM 348 CG ASP A 20 6.258 1.699 5.112 1.00 0.00 C -ATOM 349 OD1 ASP A 20 6.876 0.730 4.704 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.427 2.204 6.210 1.00 0.00 O -ATOM 351 H ASP A 20 3.895 3.382 2.361 1.00 0.00 H -ATOM 352 HA ASP A 20 6.714 2.643 2.674 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.037 3.348 4.479 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.284 1.767 4.275 1.00 0.00 H -ATOM 355 N PHE A 21 4.395 0.451 1.863 1.00 0.00 N -ATOM 356 CA PHE A 21 4.168 -0.896 1.259 1.00 0.00 C -ATOM 357 C PHE A 21 4.858 -0.956 -0.107 1.00 0.00 C -ATOM 358 O PHE A 21 5.729 -1.764 -0.364 1.00 0.00 O -ATOM 359 CB PHE A 21 2.649 -0.979 1.053 1.00 0.00 C -ATOM 360 CG PHE A 21 2.337 -2.207 0.247 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.321 -3.439 0.884 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.097 -2.110 -1.133 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.053 -4.602 0.155 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.830 -3.273 -1.867 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.805 -4.518 -1.222 1.00 0.00 C -ATOM 366 H PHE A 21 3.635 1.056 2.004 1.00 0.00 H -ATOM 367 HA PHE A 21 4.495 -1.697 1.908 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.163 -1.037 2.007 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.299 -0.107 0.529 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.528 -3.487 1.944 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.121 -1.137 -1.631 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.033 -5.560 0.651 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.648 -3.213 -2.927 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.598 -5.415 -1.788 1.00 0.00 H -ATOM 375 N ILE A 22 4.421 -0.089 -0.980 1.00 0.00 N -ATOM 376 CA ILE A 22 4.959 -0.017 -2.377 1.00 0.00 C -ATOM 377 C ILE A 22 6.493 -0.063 -2.360 1.00 0.00 C -ATOM 378 O ILE A 22 7.125 -0.556 -3.276 1.00 0.00 O -ATOM 379 CB ILE A 22 4.458 1.336 -2.902 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.918 1.318 -2.974 1.00 0.00 C -ATOM 381 CG2 ILE A 22 5.035 1.605 -4.296 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.435 0.304 -4.009 1.00 0.00 C -ATOM 383 H ILE A 22 3.712 0.521 -0.703 1.00 0.00 H -ATOM 384 HA ILE A 22 4.552 -0.816 -2.985 1.00 0.00 H -ATOM 385 HB ILE A 22 4.777 2.118 -2.227 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.511 1.045 -2.015 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.562 2.301 -3.248 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.720 2.579 -4.634 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.672 0.849 -4.977 1.00 0.00 H -ATOM 390 HG23 ILE A 22 6.112 1.565 -4.253 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.904 -0.488 -3.505 1.00 0.00 H -ATOM 392 HD12 ILE A 22 3.279 -0.110 -4.537 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.777 0.795 -4.707 1.00 0.00 H -ATOM 394 N GLU A 23 7.080 0.450 -1.314 1.00 0.00 N -ATOM 395 CA GLU A 23 8.571 0.445 -1.206 1.00 0.00 C -ATOM 396 C GLU A 23 9.074 -0.986 -0.999 1.00 0.00 C -ATOM 397 O GLU A 23 10.090 -1.380 -1.540 1.00 0.00 O -ATOM 398 CB GLU A 23 8.893 1.310 0.013 1.00 0.00 C -ATOM 399 CG GLU A 23 10.282 1.930 -0.152 1.00 0.00 C -ATOM 400 CD GLU A 23 11.346 0.837 -0.045 1.00 0.00 C -ATOM 401 OE1 GLU A 23 11.172 -0.055 0.770 1.00 0.00 O -ATOM 402 OE2 GLU A 23 12.318 0.910 -0.780 1.00 0.00 O -ATOM 403 H GLU A 23 6.532 0.835 -0.592 1.00 0.00 H -ATOM 404 HA GLU A 23 9.013 0.874 -2.092 1.00 0.00 H -ATOM 405 HB2 GLU A 23 8.155 2.094 0.103 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.877 0.699 0.904 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.349 2.407 -1.119 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.443 2.664 0.623 1.00 0.00 H -ATOM 409 N LYS A 24 8.363 -1.764 -0.224 1.00 0.00 N -ATOM 410 CA LYS A 24 8.787 -3.175 0.022 1.00 0.00 C -ATOM 411 C LYS A 24 8.385 -4.053 -1.166 1.00 0.00 C -ATOM 412 O LYS A 24 9.205 -4.739 -1.748 1.00 0.00 O -ATOM 413 CB LYS A 24 8.036 -3.604 1.284 1.00 0.00 C -ATOM 414 CG LYS A 24 8.814 -4.716 1.992 1.00 0.00 C -ATOM 415 CD LYS A 24 9.687 -4.110 3.093 1.00 0.00 C -ATOM 416 CE LYS A 24 10.382 -5.231 3.869 1.00 0.00 C -ATOM 417 NZ LYS A 24 11.316 -4.535 4.797 1.00 0.00 N -ATOM 418 H LYS A 24 7.546 -1.419 0.195 1.00 0.00 H -ATOM 419 HA LYS A 24 9.851 -3.226 0.188 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.934 -2.756 1.946 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.056 -3.968 1.013 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.117 -5.418 2.430 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.440 -5.229 1.279 1.00 0.00 H -ATOM 424 HD2 LYS A 24 10.431 -3.465 2.647 1.00 0.00 H -ATOM 425 HD3 LYS A 24 9.070 -3.536 3.768 1.00 0.00 H -ATOM 426 HE2 LYS A 24 9.655 -5.807 4.426 1.00 0.00 H -ATOM 427 HE3 LYS A 24 10.935 -5.869 3.197 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 10.795 -3.818 5.341 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 12.068 -4.071 4.249 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 11.737 -5.228 5.449 1.00 0.00 H -ATOM 431 N PHE A 25 7.127 -4.034 -1.524 1.00 0.00 N -ATOM 432 CA PHE A 25 6.653 -4.861 -2.665 1.00 0.00 C -ATOM 433 C PHE A 25 6.879 -4.125 -3.992 1.00 0.00 C -ATOM 434 O PHE A 25 5.960 -3.923 -4.764 1.00 0.00 O -ATOM 435 CB PHE A 25 5.159 -5.069 -2.410 1.00 0.00 C -ATOM 436 CG PHE A 25 4.587 -5.985 -3.464 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.161 -7.242 -3.689 1.00 0.00 C -ATOM 438 CD2 PHE A 25 3.482 -5.575 -4.216 1.00 0.00 C -ATOM 439 CE1 PHE A 25 4.626 -8.089 -4.668 1.00 0.00 C -ATOM 440 CE2 PHE A 25 2.946 -6.423 -5.194 1.00 0.00 C -ATOM 441 CZ PHE A 25 3.519 -7.679 -5.420 1.00 0.00 C -ATOM 442 H PHE A 25 6.494 -3.481 -1.039 1.00 0.00 H -ATOM 443 HA PHE A 25 7.158 -5.803 -2.665 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.018 -5.512 -1.436 1.00 0.00 H -ATOM 445 HB3 PHE A 25 4.649 -4.118 -2.450 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.015 -7.557 -3.108 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.042 -4.604 -4.040 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.069 -9.059 -4.841 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.092 -6.105 -5.775 1.00 0.00 H -ATOM 450 HZ PHE A 25 3.107 -8.334 -6.174 1.00 0.00 H -ATOM 451 N LYS A 26 8.095 -3.725 -4.259 1.00 0.00 N -ATOM 452 CA LYS A 26 8.389 -3.001 -5.537 1.00 0.00 C -ATOM 453 C LYS A 26 8.152 -3.912 -6.745 1.00 0.00 C -ATOM 454 O LYS A 26 7.943 -3.448 -7.850 1.00 0.00 O -ATOM 455 CB LYS A 26 9.864 -2.606 -5.450 1.00 0.00 C -ATOM 456 CG LYS A 26 9.981 -1.162 -4.957 1.00 0.00 C -ATOM 457 CD LYS A 26 11.422 -0.883 -4.521 1.00 0.00 C -ATOM 458 CE LYS A 26 11.810 0.546 -4.910 1.00 0.00 C -ATOM 459 NZ LYS A 26 11.010 1.420 -4.006 1.00 0.00 N -ATOM 460 H LYS A 26 8.817 -3.901 -3.620 1.00 0.00 H -ATOM 461 HA LYS A 26 7.777 -2.125 -5.613 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.371 -3.266 -4.761 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.316 -2.689 -6.426 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.707 -0.487 -5.756 1.00 0.00 H -ATOM 465 HG3 LYS A 26 9.318 -1.013 -4.118 1.00 0.00 H -ATOM 466 HD2 LYS A 26 11.503 -1.000 -3.450 1.00 0.00 H -ATOM 467 HD3 LYS A 26 12.088 -1.579 -5.010 1.00 0.00 H -ATOM 468 HE2 LYS A 26 12.867 0.704 -4.751 1.00 0.00 H -ATOM 469 HE3 LYS A 26 11.549 0.740 -5.938 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.156 1.127 -3.020 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 10.002 1.335 -4.245 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 11.313 2.408 -4.124 1.00 0.00 H -ATOM 473 N GLY A 27 8.189 -5.199 -6.538 1.00 0.00 N -ATOM 474 CA GLY A 27 7.971 -6.152 -7.667 1.00 0.00 C -ATOM 475 C GLY A 27 9.264 -6.293 -8.470 1.00 0.00 C -ATOM 476 O GLY A 27 9.241 -6.494 -9.670 1.00 0.00 O -ATOM 477 H GLY A 27 8.361 -5.538 -5.640 1.00 0.00 H -ATOM 478 HA2 GLY A 27 7.682 -7.116 -7.272 1.00 0.00 H -ATOM 479 HA3 GLY A 27 7.190 -5.777 -8.310 1.00 0.00 H -ATOM 480 N ARG A 28 10.393 -6.190 -7.815 1.00 0.00 N -ATOM 481 CA ARG A 28 11.697 -6.315 -8.529 1.00 0.00 C -ATOM 482 C ARG A 28 12.314 -7.692 -8.267 1.00 0.00 C -ATOM 483 O ARG A 28 12.023 -8.261 -7.228 1.00 0.00 O -ATOM 484 CB ARG A 28 12.577 -5.211 -7.941 1.00 0.00 C -ATOM 485 CG ARG A 28 13.855 -5.067 -8.776 1.00 0.00 C -ATOM 486 CD ARG A 28 15.008 -5.798 -8.083 1.00 0.00 C -ATOM 487 NE ARG A 28 16.237 -5.311 -8.767 1.00 0.00 N -ATOM 488 CZ ARG A 28 17.289 -4.985 -8.066 1.00 0.00 C -ATOM 489 NH1 ARG A 28 17.240 -3.967 -7.249 1.00 0.00 N -ATOM 490 NH2 ARG A 28 18.390 -5.675 -8.182 1.00 0.00 N -ATOM 491 OXT ARG A 28 13.068 -8.152 -9.109 1.00 0.00 O -ATOM 492 H ARG A 28 10.380 -6.027 -6.848 1.00 0.00 H -ATOM 493 HA ARG A 28 11.564 -6.157 -9.588 1.00 0.00 H -ATOM 494 HB2 ARG A 28 12.034 -4.276 -7.953 1.00 0.00 H -ATOM 495 HB3 ARG A 28 12.837 -5.462 -6.924 1.00 0.00 H -ATOM 496 HG2 ARG A 28 13.697 -5.492 -9.756 1.00 0.00 H -ATOM 497 HG3 ARG A 28 14.104 -4.021 -8.873 1.00 0.00 H -ATOM 498 HD2 ARG A 28 15.034 -5.546 -7.031 1.00 0.00 H -ATOM 499 HD3 ARG A 28 14.911 -6.865 -8.213 1.00 0.00 H -ATOM 500 HE ARG A 28 16.257 -5.233 -9.744 1.00 0.00 H -ATOM 501 HH11 ARG A 28 16.397 -3.438 -7.161 1.00 0.00 H -ATOM 502 HH12 ARG A 28 18.045 -3.717 -6.713 1.00 0.00 H -ATOM 503 HH21 ARG A 28 18.428 -6.454 -8.807 1.00 0.00 H -ATOM 504 HH22 ARG A 28 19.196 -5.425 -7.645 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 5 -ATOM 1 N GLU A 1 -14.636 9.370 3.164 1.00 0.00 N -ATOM 2 CA GLU A 1 -13.927 8.071 2.986 1.00 0.00 C -ATOM 3 C GLU A 1 -12.658 8.273 2.152 1.00 0.00 C -ATOM 4 O GLU A 1 -12.362 9.370 1.717 1.00 0.00 O -ATOM 5 CB GLU A 1 -14.921 7.176 2.244 1.00 0.00 C -ATOM 6 CG GLU A 1 -14.836 5.750 2.794 1.00 0.00 C -ATOM 7 CD GLU A 1 -15.279 4.761 1.715 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -16.475 4.564 1.574 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -14.414 4.215 1.049 1.00 0.00 O -ATOM 10 H1 GLU A 1 -14.028 10.027 3.692 1.00 0.00 H -ATOM 11 H2 GLU A 1 -15.519 9.213 3.693 1.00 0.00 H -ATOM 12 H3 GLU A 1 -14.855 9.777 2.233 1.00 0.00 H -ATOM 13 HA GLU A 1 -13.684 7.639 3.944 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -15.922 7.558 2.385 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -14.683 7.168 1.191 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -13.818 5.537 3.084 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -15.484 5.656 3.652 1.00 0.00 H -ATOM 18 N GLN A 2 -11.910 7.222 1.928 1.00 0.00 N -ATOM 19 CA GLN A 2 -10.658 7.346 1.123 1.00 0.00 C -ATOM 20 C GLN A 2 -10.552 6.195 0.121 1.00 0.00 C -ATOM 21 O GLN A 2 -11.325 5.255 0.157 1.00 0.00 O -ATOM 22 CB GLN A 2 -9.521 7.274 2.145 1.00 0.00 C -ATOM 23 CG GLN A 2 -9.057 8.689 2.497 1.00 0.00 C -ATOM 24 CD GLN A 2 -9.886 9.223 3.667 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -9.875 8.658 4.743 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -10.612 10.295 3.500 1.00 0.00 N -ATOM 27 H GLN A 2 -12.173 6.350 2.291 1.00 0.00 H -ATOM 28 HA GLN A 2 -10.633 8.295 0.611 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -9.871 6.776 3.038 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -8.695 6.721 1.726 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -8.013 8.667 2.775 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -9.189 9.334 1.642 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -10.621 10.751 2.633 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -11.146 10.646 4.243 1.00 0.00 H -ATOM 35 N TYR A 3 -9.603 6.267 -0.778 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.433 5.188 -1.803 1.00 0.00 C -ATOM 37 C TYR A 3 -9.332 3.803 -1.159 1.00 0.00 C -ATOM 38 O TYR A 3 -9.041 3.668 0.015 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.141 5.522 -2.558 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.015 5.785 -1.589 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.492 4.752 -0.798 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.504 7.079 -1.478 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.458 5.025 0.096 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.470 7.348 -0.584 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.946 6.322 0.204 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.925 6.590 1.088 1.00 0.00 O -ATOM 47 H TYR A 3 -9.002 7.040 -0.787 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.252 5.210 -2.487 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -7.876 4.698 -3.200 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.305 6.406 -3.156 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.882 3.747 -0.878 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.908 7.873 -2.088 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -5.058 4.235 0.704 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -5.080 8.347 -0.500 1.00 0.00 H -ATOM 55 HH TYR A 3 -3.134 6.150 0.769 1.00 0.00 H -ATOM 56 N THR A 4 -9.573 2.778 -1.933 1.00 0.00 N -ATOM 57 CA THR A 4 -9.495 1.386 -1.402 1.00 0.00 C -ATOM 58 C THR A 4 -8.428 0.599 -2.165 1.00 0.00 C -ATOM 59 O THR A 4 -8.612 -0.558 -2.492 1.00 0.00 O -ATOM 60 CB THR A 4 -10.884 0.795 -1.654 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.875 1.738 -1.273 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.056 -0.486 -0.836 1.00 0.00 C -ATOM 63 H THR A 4 -9.801 2.924 -2.875 1.00 0.00 H -ATOM 64 HA THR A 4 -9.281 1.395 -0.345 1.00 0.00 H -ATOM 65 HB THR A 4 -10.992 0.563 -2.702 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.611 1.659 -1.883 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.185 -0.233 0.207 1.00 0.00 H -ATOM 68 HG22 THR A 4 -10.180 -1.107 -0.949 1.00 0.00 H -ATOM 69 HG23 THR A 4 -11.925 -1.023 -1.186 1.00 0.00 H -ATOM 70 N ALA A 5 -7.310 1.222 -2.455 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.215 0.527 -3.206 1.00 0.00 C -ATOM 72 C ALA A 5 -5.873 -0.814 -2.562 1.00 0.00 C -ATOM 73 O ALA A 5 -5.548 -0.870 -1.397 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.006 1.446 -3.103 1.00 0.00 C -ATOM 75 H ALA A 5 -7.193 2.154 -2.184 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.490 0.396 -4.236 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.335 2.466 -2.976 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.418 1.362 -4.004 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.404 1.147 -2.250 1.00 0.00 H -ATOM 80 N LYS A 6 -5.925 -1.877 -3.315 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.592 -3.219 -2.740 1.00 0.00 C -ATOM 82 C LYS A 6 -4.289 -3.758 -3.329 1.00 0.00 C -ATOM 83 O LYS A 6 -4.001 -3.591 -4.499 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.766 -4.139 -3.091 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.034 -4.110 -4.598 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.641 -5.445 -5.035 1.00 0.00 C -ATOM 87 CE LYS A 6 -9.035 -5.597 -4.424 1.00 0.00 C -ATOM 88 NZ LYS A 6 -9.618 -6.794 -5.091 1.00 0.00 N -ATOM 89 H LYS A 6 -6.173 -1.792 -4.257 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.502 -3.146 -1.673 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.525 -5.148 -2.788 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.649 -3.808 -2.565 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.722 -3.309 -4.823 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.107 -3.949 -5.126 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.714 -5.471 -6.113 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -7.012 -6.254 -4.697 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -8.961 -5.756 -3.356 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -9.637 -4.726 -4.635 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -10.580 -6.957 -4.732 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -9.026 -7.625 -4.888 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -9.656 -6.636 -6.117 1.00 0.00 H -ATOM 102 N TYR A 7 -3.500 -4.399 -2.509 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.202 -4.961 -2.984 1.00 0.00 C -ATOM 104 C TYR A 7 -2.058 -6.404 -2.510 1.00 0.00 C -ATOM 105 O TYR A 7 -1.954 -6.673 -1.328 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.130 -4.086 -2.350 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.139 -2.747 -3.013 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.135 -1.824 -2.700 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.145 -2.434 -3.932 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.144 -0.574 -3.313 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.137 -1.187 -4.551 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.139 -0.248 -4.244 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.137 0.990 -4.855 1.00 0.00 O -ATOM 114 H TYR A 7 -3.766 -4.512 -1.573 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.133 -4.898 -4.058 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.327 -3.967 -1.302 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.165 -4.540 -2.485 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.904 -2.082 -1.987 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.615 -3.164 -4.167 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.914 0.146 -3.055 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.645 -0.946 -5.256 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.058 0.853 -5.802 1.00 0.00 H -ATOM 123 N LYS A 8 -2.057 -7.336 -3.426 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.926 -8.785 -3.051 1.00 0.00 C -ATOM 125 C LYS A 8 -2.958 -9.177 -1.980 1.00 0.00 C -ATOM 126 O LYS A 8 -2.773 -10.139 -1.258 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.502 -8.934 -2.501 1.00 0.00 C -ATOM 128 CG LYS A 8 0.402 -9.559 -3.568 1.00 0.00 C -ATOM 129 CD LYS A 8 -0.033 -11.004 -3.822 1.00 0.00 C -ATOM 130 CE LYS A 8 0.794 -11.948 -2.946 1.00 0.00 C -ATOM 131 NZ LYS A 8 -0.055 -13.162 -2.784 1.00 0.00 N -ATOM 132 H LYS A 8 -2.144 -7.083 -4.369 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.047 -9.404 -3.925 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.118 -7.961 -2.232 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.517 -9.569 -1.629 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.322 -8.992 -4.485 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.426 -9.547 -3.225 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -1.080 -11.113 -3.580 1.00 0.00 H -ATOM 139 HD3 LYS A 8 0.125 -11.251 -4.861 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.723 -12.199 -3.439 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.985 -11.500 -1.984 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 -0.881 -12.932 -2.196 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 0.496 -13.913 -2.324 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 -0.375 -13.488 -3.720 1.00 0.00 H -ATOM 145 N GLY A 9 -4.045 -8.447 -1.878 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.089 -8.787 -0.863 1.00 0.00 C -ATOM 147 C GLY A 9 -4.986 -7.848 0.346 1.00 0.00 C -ATOM 148 O GLY A 9 -5.307 -8.225 1.457 1.00 0.00 O -ATOM 149 H GLY A 9 -4.178 -7.683 -2.476 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.067 -8.687 -1.312 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.949 -9.805 -0.534 1.00 0.00 H -ATOM 152 N ARG A 10 -4.546 -6.631 0.138 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.428 -5.666 1.277 1.00 0.00 C -ATOM 154 C ARG A 10 -4.865 -4.268 0.831 1.00 0.00 C -ATOM 155 O ARG A 10 -4.184 -3.622 0.057 1.00 0.00 O -ATOM 156 CB ARG A 10 -2.945 -5.665 1.649 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.519 -7.073 2.073 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.113 -7.021 2.672 1.00 0.00 C -ATOM 159 NE ARG A 10 -0.677 -8.440 2.755 1.00 0.00 N -ATOM 160 CZ ARG A 10 0.505 -8.785 2.329 1.00 0.00 C -ATOM 161 NH1 ARG A 10 0.709 -8.980 1.054 1.00 0.00 N -ATOM 162 NH2 ARG A 10 1.486 -8.936 3.176 1.00 0.00 N -ATOM 163 H ARG A 10 -4.297 -6.350 -0.766 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.019 -5.998 2.117 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.360 -5.352 0.795 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.779 -4.981 2.467 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.212 -7.452 2.810 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.517 -7.724 1.212 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.452 -6.459 2.026 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.139 -6.585 3.657 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.279 -9.113 3.132 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -0.042 -8.863 0.405 1.00 0.00 H -ATOM 173 HH12 ARG A 10 1.616 -9.244 0.727 1.00 0.00 H -ATOM 174 HH21 ARG A 10 1.330 -8.787 4.153 1.00 0.00 H -ATOM 175 HH22 ARG A 10 2.394 -9.201 2.849 1.00 0.00 H -ATOM 176 N THR A 11 -5.994 -3.798 1.307 1.00 0.00 N -ATOM 177 CA THR A 11 -6.469 -2.440 0.898 1.00 0.00 C -ATOM 178 C THR A 11 -5.635 -1.345 1.574 1.00 0.00 C -ATOM 179 O THR A 11 -4.939 -1.593 2.542 1.00 0.00 O -ATOM 180 CB THR A 11 -7.923 -2.348 1.360 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.669 -3.411 0.784 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.507 -1.004 0.909 1.00 0.00 C -ATOM 183 H THR A 11 -6.527 -4.338 1.928 1.00 0.00 H -ATOM 184 HA THR A 11 -6.427 -2.346 -0.170 1.00 0.00 H -ATOM 185 HB THR A 11 -7.968 -2.414 2.435 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.593 -3.286 1.016 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.569 -0.987 1.105 1.00 0.00 H -ATOM 188 HG22 THR A 11 -8.332 -0.872 -0.149 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.028 -0.201 1.452 1.00 0.00 H -ATOM 190 N PHE A 12 -5.716 -0.132 1.079 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.947 0.987 1.700 1.00 0.00 C -ATOM 192 C PHE A 12 -5.842 2.207 1.912 1.00 0.00 C -ATOM 193 O PHE A 12 -6.570 2.623 1.031 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.816 1.311 0.720 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.706 0.336 0.951 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.763 -0.891 0.307 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.627 0.652 1.794 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.743 -1.826 0.499 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.600 -0.286 1.981 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.662 -1.525 1.335 1.00 0.00 C -ATOM 201 H PHE A 12 -6.291 0.040 0.305 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.529 0.669 2.641 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.165 1.212 -0.308 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.459 2.315 0.892 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.602 -1.112 -0.348 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.590 1.608 2.300 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.793 -2.779 0.011 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.243 -0.052 2.616 1.00 0.00 H -ATOM 209 HZ PHE A 12 0.127 -2.247 1.478 1.00 0.00 H -ATOM 210 N ARG A 13 -5.778 2.783 3.082 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.599 3.989 3.388 1.00 0.00 C -ATOM 212 C ARG A 13 -5.695 5.053 4.010 1.00 0.00 C -ATOM 213 O ARG A 13 -6.083 5.769 4.912 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.648 3.516 4.394 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.801 2.838 3.650 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.662 2.060 4.647 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.637 3.054 5.173 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.907 2.932 4.897 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.289 2.689 3.673 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -12.796 3.052 5.846 1.00 0.00 N -ATOM 221 H ARG A 13 -5.174 2.424 3.764 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.075 4.364 2.495 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.197 2.812 5.078 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.026 4.363 4.945 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.404 3.590 3.161 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.403 2.159 2.913 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -10.177 1.252 4.145 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.054 1.678 5.452 1.00 0.00 H -ATOM 229 HE ARG A 13 -10.327 3.801 5.727 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -11.609 2.597 2.946 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -13.262 2.595 3.463 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -12.504 3.238 6.784 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -13.769 2.957 5.634 1.00 0.00 H -ATOM 234 N ASN A 14 -4.481 5.141 3.530 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.513 6.139 4.079 1.00 0.00 C -ATOM 236 C ASN A 14 -2.263 6.189 3.198 1.00 0.00 C -ATOM 237 O ASN A 14 -1.595 5.192 2.999 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.163 5.626 5.478 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.764 6.803 6.370 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.579 7.332 7.100 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.535 7.239 6.340 1.00 0.00 N -ATOM 242 H ASN A 14 -4.203 4.542 2.804 1.00 0.00 H -ATOM 243 HA ASN A 14 -3.971 7.115 4.145 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -4.021 5.126 5.904 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.339 4.933 5.411 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -0.879 6.813 5.751 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.268 7.992 6.907 1.00 0.00 H -ATOM 248 N GLU A 15 -1.951 7.340 2.662 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.751 7.467 1.774 1.00 0.00 C -ATOM 250 C GLU A 15 0.520 7.007 2.502 1.00 0.00 C -ATOM 251 O GLU A 15 1.389 6.391 1.913 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.665 8.954 1.428 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.191 9.117 -0.017 1.00 0.00 C -ATOM 254 CD GLU A 15 0.214 10.572 -0.259 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -0.673 11.399 -0.395 1.00 0.00 O -ATOM 256 OE2 GLU A 15 1.405 10.834 -0.306 1.00 0.00 O -ATOM 257 H GLU A 15 -2.516 8.124 2.835 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.892 6.891 0.873 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.641 9.406 1.540 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.035 9.440 2.092 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.657 8.471 -0.191 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.991 8.851 -0.690 1.00 0.00 H -ATOM 263 N LYS A 16 0.637 7.305 3.773 1.00 0.00 N -ATOM 264 CA LYS A 16 1.853 6.892 4.542 1.00 0.00 C -ATOM 265 C LYS A 16 2.068 5.382 4.444 1.00 0.00 C -ATOM 266 O LYS A 16 3.175 4.904 4.292 1.00 0.00 O -ATOM 267 CB LYS A 16 1.573 7.294 5.991 1.00 0.00 C -ATOM 268 CG LYS A 16 2.896 7.419 6.750 1.00 0.00 C -ATOM 269 CD LYS A 16 2.703 8.323 7.969 1.00 0.00 C -ATOM 270 CE LYS A 16 4.068 8.757 8.508 1.00 0.00 C -ATOM 271 NZ LYS A 16 3.917 8.750 9.989 1.00 0.00 N -ATOM 272 H LYS A 16 -0.073 7.806 4.220 1.00 0.00 H -ATOM 273 HA LYS A 16 2.707 7.411 4.178 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.055 8.242 6.008 1.00 0.00 H -ATOM 275 HB3 LYS A 16 0.961 6.539 6.462 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.218 6.440 7.074 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.645 7.848 6.101 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.134 9.196 7.683 1.00 0.00 H -ATOM 279 HD3 LYS A 16 2.170 7.783 8.737 1.00 0.00 H -ATOM 280 HE2 LYS A 16 4.831 8.054 8.201 1.00 0.00 H -ATOM 281 HE3 LYS A 16 4.310 9.750 8.165 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 4.841 8.929 10.431 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 3.557 7.825 10.296 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 3.246 9.492 10.272 1.00 0.00 H -ATOM 285 N GLU A 17 1.006 4.641 4.534 1.00 0.00 N -ATOM 286 CA GLU A 17 1.104 3.150 4.451 1.00 0.00 C -ATOM 287 C GLU A 17 1.469 2.720 3.032 1.00 0.00 C -ATOM 288 O GLU A 17 2.481 2.087 2.801 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.295 2.634 4.794 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.456 2.518 6.307 1.00 0.00 C -ATOM 291 CD GLU A 17 0.518 1.471 6.853 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.343 0.305 6.537 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.424 1.853 7.576 1.00 0.00 O -ATOM 294 H GLU A 17 0.138 5.072 4.656 1.00 0.00 H -ATOM 295 HA GLU A 17 1.823 2.774 5.161 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.034 3.322 4.407 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.439 1.663 4.343 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.255 3.474 6.765 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.468 2.215 6.533 1.00 0.00 H -ATOM 300 N LEU A 18 0.631 3.049 2.086 1.00 0.00 N -ATOM 301 CA LEU A 18 0.887 2.655 0.667 1.00 0.00 C -ATOM 302 C LEU A 18 2.247 3.168 0.191 1.00 0.00 C -ATOM 303 O LEU A 18 2.985 2.457 -0.467 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.258 3.292 -0.129 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.421 2.588 -1.477 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.848 1.130 -1.264 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.490 3.310 -2.298 1.00 0.00 C -ATOM 308 H LEU A 18 -0.182 3.547 2.315 1.00 0.00 H -ATOM 309 HA LEU A 18 0.852 1.587 0.575 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.177 3.205 0.433 1.00 0.00 H -ATOM 311 HB3 LEU A 18 -0.040 4.336 -0.297 1.00 0.00 H -ATOM 312 HG LEU A 18 0.516 2.617 -2.007 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.509 0.783 -0.312 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.420 0.516 -2.030 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.923 1.056 -1.309 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.468 3.072 -1.905 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.430 2.991 -3.327 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.330 4.377 -2.241 1.00 0.00 H -ATOM 319 N ARG A 19 2.595 4.383 0.528 1.00 0.00 N -ATOM 320 CA ARG A 19 3.924 4.921 0.103 1.00 0.00 C -ATOM 321 C ARG A 19 5.053 4.058 0.684 1.00 0.00 C -ATOM 322 O ARG A 19 6.169 4.076 0.199 1.00 0.00 O -ATOM 323 CB ARG A 19 3.988 6.339 0.668 1.00 0.00 C -ATOM 324 CG ARG A 19 3.126 7.268 -0.188 1.00 0.00 C -ATOM 325 CD ARG A 19 3.987 7.887 -1.292 1.00 0.00 C -ATOM 326 NE ARG A 19 3.220 9.077 -1.758 1.00 0.00 N -ATOM 327 CZ ARG A 19 2.810 9.146 -2.994 1.00 0.00 C -ATOM 328 NH1 ARG A 19 1.720 8.526 -3.355 1.00 0.00 N -ATOM 329 NH2 ARG A 19 3.488 9.836 -3.870 1.00 0.00 N -ATOM 330 H ARG A 19 1.990 4.933 1.070 1.00 0.00 H -ATOM 331 HA ARG A 19 3.991 4.950 -0.972 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.622 6.337 1.684 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.010 6.684 0.653 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.320 6.702 -0.633 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.717 8.053 0.430 1.00 0.00 H -ATOM 336 HD2 ARG A 19 4.946 8.187 -0.894 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.115 7.190 -2.105 1.00 0.00 H -ATOM 338 HE ARG A 19 3.024 9.808 -1.134 1.00 0.00 H -ATOM 339 HH11 ARG A 19 1.199 7.999 -2.685 1.00 0.00 H -ATOM 340 HH12 ARG A 19 1.406 8.578 -4.304 1.00 0.00 H -ATOM 341 HH21 ARG A 19 4.323 10.312 -3.594 1.00 0.00 H -ATOM 342 HH22 ARG A 19 3.173 9.890 -4.817 1.00 0.00 H -ATOM 343 N ASP A 20 4.768 3.303 1.719 1.00 0.00 N -ATOM 344 CA ASP A 20 5.814 2.436 2.336 1.00 0.00 C -ATOM 345 C ASP A 20 5.640 0.980 1.886 1.00 0.00 C -ATOM 346 O ASP A 20 6.586 0.215 1.866 1.00 0.00 O -ATOM 347 CB ASP A 20 5.587 2.563 3.843 1.00 0.00 C -ATOM 348 CG ASP A 20 6.654 1.763 4.593 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.766 2.253 4.700 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.341 0.675 5.047 1.00 0.00 O -ATOM 351 H ASP A 20 3.864 3.306 2.093 1.00 0.00 H -ATOM 352 HA ASP A 20 6.798 2.795 2.081 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.648 3.603 4.130 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.609 2.178 4.094 1.00 0.00 H -ATOM 355 N PHE A 21 4.438 0.590 1.529 1.00 0.00 N -ATOM 356 CA PHE A 21 4.209 -0.820 1.084 1.00 0.00 C -ATOM 357 C PHE A 21 4.888 -1.084 -0.268 1.00 0.00 C -ATOM 358 O PHE A 21 5.897 -1.755 -0.342 1.00 0.00 O -ATOM 359 CB PHE A 21 2.692 -0.981 0.959 1.00 0.00 C -ATOM 360 CG PHE A 21 2.418 -2.386 0.492 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.452 -3.422 1.417 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.166 -2.649 -0.858 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.222 -4.739 1.004 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.937 -3.964 -1.278 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.962 -5.010 -0.346 1.00 0.00 C -ATOM 366 H PHE A 21 3.691 1.223 1.556 1.00 0.00 H -ATOM 367 HA PHE A 21 4.575 -1.516 1.829 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.240 -0.824 1.919 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.288 -0.274 0.257 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.668 -3.201 2.452 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.149 -1.839 -1.575 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.243 -5.544 1.724 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.747 -4.171 -2.320 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.786 -6.026 -0.669 1.00 0.00 H -ATOM 375 N ILE A 22 4.319 -0.573 -1.338 1.00 0.00 N -ATOM 376 CA ILE A 22 4.901 -0.791 -2.708 1.00 0.00 C -ATOM 377 C ILE A 22 6.408 -0.502 -2.692 1.00 0.00 C -ATOM 378 O ILE A 22 7.180 -1.112 -3.409 1.00 0.00 O -ATOM 379 CB ILE A 22 4.164 0.197 -3.621 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.685 -0.199 -3.699 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.759 0.134 -5.029 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.844 0.731 -2.838 1.00 0.00 C -ATOM 383 H ILE A 22 3.502 -0.052 -1.237 1.00 0.00 H -ATOM 384 HA ILE A 22 4.702 -1.800 -3.041 1.00 0.00 H -ATOM 385 HB ILE A 22 4.259 1.197 -3.227 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.347 -0.136 -4.723 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.568 -1.209 -3.346 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.232 0.823 -5.671 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.652 -0.870 -5.411 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.804 0.399 -4.992 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.535 0.204 -1.944 1.00 0.00 H -ATOM 392 HD12 ILE A 22 0.969 1.040 -3.391 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.422 1.601 -2.562 1.00 0.00 H -ATOM 394 N GLU A 23 6.816 0.418 -1.859 1.00 0.00 N -ATOM 395 CA GLU A 23 8.271 0.753 -1.762 1.00 0.00 C -ATOM 396 C GLU A 23 9.036 -0.474 -1.260 1.00 0.00 C -ATOM 397 O GLU A 23 10.152 -0.734 -1.669 1.00 0.00 O -ATOM 398 CB GLU A 23 8.363 1.903 -0.748 1.00 0.00 C -ATOM 399 CG GLU A 23 8.804 3.187 -1.456 1.00 0.00 C -ATOM 400 CD GLU A 23 10.258 3.046 -1.911 1.00 0.00 C -ATOM 401 OE1 GLU A 23 11.136 3.198 -1.077 1.00 0.00 O -ATOM 402 OE2 GLU A 23 10.470 2.788 -3.084 1.00 0.00 O -ATOM 403 H GLU A 23 6.161 0.879 -1.290 1.00 0.00 H -ATOM 404 HA GLU A 23 8.651 1.066 -2.721 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.397 2.060 -0.291 1.00 0.00 H -ATOM 406 HB3 GLU A 23 9.084 1.653 0.017 1.00 0.00 H -ATOM 407 HG2 GLU A 23 8.173 3.359 -2.316 1.00 0.00 H -ATOM 408 HG3 GLU A 23 8.721 4.021 -0.775 1.00 0.00 H -ATOM 409 N LYS A 24 8.428 -1.235 -0.386 1.00 0.00 N -ATOM 410 CA LYS A 24 9.093 -2.460 0.144 1.00 0.00 C -ATOM 411 C LYS A 24 8.766 -3.650 -0.760 1.00 0.00 C -ATOM 412 O LYS A 24 9.650 -4.284 -1.307 1.00 0.00 O -ATOM 413 CB LYS A 24 8.502 -2.666 1.542 1.00 0.00 C -ATOM 414 CG LYS A 24 9.523 -2.245 2.604 1.00 0.00 C -ATOM 415 CD LYS A 24 9.213 -0.824 3.079 1.00 0.00 C -ATOM 416 CE LYS A 24 10.417 -0.266 3.843 1.00 0.00 C -ATOM 417 NZ LYS A 24 10.059 1.148 4.143 1.00 0.00 N -ATOM 418 H LYS A 24 7.525 -1.003 -0.084 1.00 0.00 H -ATOM 419 HA LYS A 24 10.160 -2.315 0.207 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.606 -2.071 1.646 1.00 0.00 H -ATOM 421 HB3 LYS A 24 8.257 -3.710 1.678 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.471 -2.924 3.443 1.00 0.00 H -ATOM 423 HG3 LYS A 24 10.516 -2.272 2.181 1.00 0.00 H -ATOM 424 HD2 LYS A 24 9.006 -0.196 2.224 1.00 0.00 H -ATOM 425 HD3 LYS A 24 8.353 -0.841 3.730 1.00 0.00 H -ATOM 426 HE2 LYS A 24 10.569 -0.820 4.758 1.00 0.00 H -ATOM 427 HE3 LYS A 24 11.302 -0.300 3.228 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 9.954 1.676 3.254 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 10.811 1.582 4.715 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 9.162 1.173 4.670 1.00 0.00 H -ATOM 431 N PHE A 25 7.501 -3.953 -0.926 1.00 0.00 N -ATOM 432 CA PHE A 25 7.109 -5.092 -1.795 1.00 0.00 C -ATOM 433 C PHE A 25 7.024 -4.640 -3.258 1.00 0.00 C -ATOM 434 O PHE A 25 6.014 -4.818 -3.913 1.00 0.00 O -ATOM 435 CB PHE A 25 5.735 -5.532 -1.282 1.00 0.00 C -ATOM 436 CG PHE A 25 5.275 -6.751 -2.046 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.092 -7.887 -2.115 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.029 -6.745 -2.680 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.660 -9.017 -2.820 1.00 0.00 C -ATOM 440 CE2 PHE A 25 3.597 -7.874 -3.387 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.413 -9.011 -3.456 1.00 0.00 C -ATOM 442 H PHE A 25 6.812 -3.431 -0.479 1.00 0.00 H -ATOM 443 HA PHE A 25 7.812 -5.891 -1.686 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.803 -5.770 -0.232 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.023 -4.733 -1.427 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.054 -7.889 -1.624 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.403 -5.868 -2.626 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.290 -9.893 -2.873 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.635 -7.870 -3.877 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.079 -9.883 -3.999 1.00 0.00 H -ATOM 451 N LYS A 26 8.079 -4.059 -3.770 1.00 0.00 N -ATOM 452 CA LYS A 26 8.069 -3.592 -5.194 1.00 0.00 C -ATOM 453 C LYS A 26 7.819 -4.764 -6.145 1.00 0.00 C -ATOM 454 O LYS A 26 7.387 -4.582 -7.269 1.00 0.00 O -ATOM 455 CB LYS A 26 9.456 -2.995 -5.433 1.00 0.00 C -ATOM 456 CG LYS A 26 9.416 -1.487 -5.171 1.00 0.00 C -ATOM 457 CD LYS A 26 10.447 -0.788 -6.060 1.00 0.00 C -ATOM 458 CE LYS A 26 9.779 -0.341 -7.363 1.00 0.00 C -ATOM 459 NZ LYS A 26 10.871 -0.350 -8.377 1.00 0.00 N -ATOM 460 H LYS A 26 8.879 -3.930 -3.220 1.00 0.00 H -ATOM 461 HA LYS A 26 7.317 -2.841 -5.329 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.167 -3.458 -4.764 1.00 0.00 H -ATOM 463 HB3 LYS A 26 9.753 -3.172 -6.455 1.00 0.00 H -ATOM 464 HG2 LYS A 26 8.430 -1.108 -5.397 1.00 0.00 H -ATOM 465 HG3 LYS A 26 9.648 -1.294 -4.135 1.00 0.00 H -ATOM 466 HD2 LYS A 26 10.843 0.075 -5.542 1.00 0.00 H -ATOM 467 HD3 LYS A 26 11.251 -1.473 -6.286 1.00 0.00 H -ATOM 468 HE2 LYS A 26 8.999 -1.036 -7.641 1.00 0.00 H -ATOM 469 HE3 LYS A 26 9.380 0.655 -7.258 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.166 -1.329 -8.560 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 11.680 0.197 -8.018 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 10.527 0.077 -9.260 1.00 0.00 H -ATOM 473 N GLY A 27 8.087 -5.961 -5.702 1.00 0.00 N -ATOM 474 CA GLY A 27 7.872 -7.156 -6.569 1.00 0.00 C -ATOM 475 C GLY A 27 9.147 -7.999 -6.604 1.00 0.00 C -ATOM 476 O GLY A 27 9.167 -9.126 -6.147 1.00 0.00 O -ATOM 477 H GLY A 27 8.432 -6.074 -4.797 1.00 0.00 H -ATOM 478 HA2 GLY A 27 7.059 -7.747 -6.169 1.00 0.00 H -ATOM 479 HA3 GLY A 27 7.627 -6.836 -7.570 1.00 0.00 H -ATOM 480 N ARG A 28 10.209 -7.459 -7.145 1.00 0.00 N -ATOM 481 CA ARG A 28 11.491 -8.221 -7.216 1.00 0.00 C -ATOM 482 C ARG A 28 12.259 -8.089 -5.897 1.00 0.00 C -ATOM 483 O ARG A 28 11.673 -7.612 -4.940 1.00 0.00 O -ATOM 484 CB ARG A 28 12.274 -7.577 -8.360 1.00 0.00 C -ATOM 485 CG ARG A 28 11.713 -8.062 -9.699 1.00 0.00 C -ATOM 486 CD ARG A 28 12.842 -8.151 -10.732 1.00 0.00 C -ATOM 487 NE ARG A 28 12.640 -6.980 -11.631 1.00 0.00 N -ATOM 488 CZ ARG A 28 13.478 -5.980 -11.599 1.00 0.00 C -ATOM 489 NH1 ARG A 28 13.362 -5.060 -10.681 1.00 0.00 N -ATOM 490 NH2 ARG A 28 14.432 -5.900 -12.486 1.00 0.00 N -ATOM 491 OXT ARG A 28 13.419 -8.466 -5.870 1.00 0.00 O -ATOM 492 H ARG A 28 10.163 -6.548 -7.507 1.00 0.00 H -ATOM 493 HA ARG A 28 11.301 -9.259 -7.438 1.00 0.00 H -ATOM 494 HB2 ARG A 28 12.182 -6.502 -8.298 1.00 0.00 H -ATOM 495 HB3 ARG A 28 13.314 -7.855 -8.287 1.00 0.00 H -ATOM 496 HG2 ARG A 28 11.265 -9.036 -9.569 1.00 0.00 H -ATOM 497 HG3 ARG A 28 10.963 -7.366 -10.047 1.00 0.00 H -ATOM 498 HD2 ARG A 28 13.805 -8.092 -10.244 1.00 0.00 H -ATOM 499 HD3 ARG A 28 12.761 -9.067 -11.297 1.00 0.00 H -ATOM 500 HE ARG A 28 11.877 -6.961 -12.246 1.00 0.00 H -ATOM 501 HH11 ARG A 28 12.631 -5.122 -10.001 1.00 0.00 H -ATOM 502 HH12 ARG A 28 14.003 -4.294 -10.657 1.00 0.00 H -ATOM 503 HH21 ARG A 28 14.521 -6.605 -13.190 1.00 0.00 H -ATOM 504 HH22 ARG A 28 15.074 -5.133 -12.462 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 6 -ATOM 1 N GLU A 1 -12.765 8.080 4.349 1.00 0.00 N -ATOM 2 CA GLU A 1 -13.146 7.296 3.139 1.00 0.00 C -ATOM 3 C GLU A 1 -12.057 7.412 2.069 1.00 0.00 C -ATOM 4 O GLU A 1 -12.338 7.647 0.909 1.00 0.00 O -ATOM 5 CB GLU A 1 -14.449 7.930 2.648 1.00 0.00 C -ATOM 6 CG GLU A 1 -15.642 7.130 3.175 1.00 0.00 C -ATOM 7 CD GLU A 1 -15.995 7.608 4.586 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -16.370 8.760 4.722 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.883 6.812 5.505 1.00 0.00 O -ATOM 10 H1 GLU A 1 -12.549 9.059 4.074 1.00 0.00 H -ATOM 11 H2 GLU A 1 -11.927 7.649 4.790 1.00 0.00 H -ATOM 12 H3 GLU A 1 -13.553 8.078 5.027 1.00 0.00 H -ATOM 13 HA GLU A 1 -13.313 6.262 3.396 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -14.511 8.947 3.005 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -14.466 7.926 1.569 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -16.491 7.276 2.523 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -15.388 6.081 3.207 1.00 0.00 H -ATOM 18 N GLN A 2 -10.815 7.247 2.452 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.701 7.345 1.460 1.00 0.00 C -ATOM 20 C GLN A 2 -9.852 6.257 0.394 1.00 0.00 C -ATOM 21 O GLN A 2 -10.724 5.412 0.479 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.417 7.128 2.268 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.733 8.474 2.523 1.00 0.00 C -ATOM 24 CD GLN A 2 -8.224 9.054 3.850 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -8.204 8.385 4.863 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -8.669 10.281 3.886 1.00 0.00 N -ATOM 27 H GLN A 2 -10.619 7.057 3.395 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.690 8.322 1.001 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.662 6.664 3.213 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.748 6.485 1.715 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -6.663 8.331 2.565 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.974 9.157 1.722 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -8.684 10.821 3.068 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -8.986 10.661 4.731 1.00 0.00 H -ATOM 35 N TYR A 3 -9.012 6.274 -0.612 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.100 5.244 -1.697 1.00 0.00 C -ATOM 37 C TYR A 3 -9.098 3.823 -1.125 1.00 0.00 C -ATOM 38 O TYR A 3 -8.730 3.600 0.012 1.00 0.00 O -ATOM 39 CB TYR A 3 -7.880 5.471 -2.600 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.612 5.575 -1.785 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.143 4.483 -1.044 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -5.907 6.779 -1.777 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -4.972 4.603 -0.299 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.735 6.897 -1.032 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.265 5.809 -0.291 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.104 5.923 0.445 1.00 0.00 O -ATOM 47 H TYR A 3 -8.323 6.968 -0.661 1.00 0.00 H -ATOM 48 HA TYR A 3 -9.988 5.401 -2.267 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -7.792 4.653 -3.296 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.022 6.391 -3.145 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.680 3.548 -1.043 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.269 7.620 -2.349 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.618 3.763 0.271 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.196 7.829 -1.027 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.524 5.200 0.196 1.00 0.00 H -ATOM 56 N THR A 4 -9.509 2.864 -1.917 1.00 0.00 N -ATOM 57 CA THR A 4 -9.539 1.450 -1.440 1.00 0.00 C -ATOM 58 C THR A 4 -8.481 0.622 -2.175 1.00 0.00 C -ATOM 59 O THR A 4 -8.668 -0.552 -2.430 1.00 0.00 O -ATOM 60 CB THR A 4 -10.943 0.948 -1.776 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.902 1.903 -1.344 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.195 -0.386 -1.069 1.00 0.00 C -ATOM 63 H THR A 4 -9.799 3.076 -2.829 1.00 0.00 H -ATOM 64 HA THR A 4 -9.377 1.407 -0.374 1.00 0.00 H -ATOM 65 HB THR A 4 -11.031 0.807 -2.842 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.824 1.992 -0.391 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.713 -0.207 -0.138 1.00 0.00 H -ATOM 68 HG22 THR A 4 -10.252 -0.871 -0.870 1.00 0.00 H -ATOM 69 HG23 THR A 4 -11.800 -1.019 -1.701 1.00 0.00 H -ATOM 70 N ALA A 5 -7.373 1.233 -2.520 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.281 0.502 -3.244 1.00 0.00 C -ATOM 72 C ALA A 5 -5.949 -0.818 -2.553 1.00 0.00 C -ATOM 73 O ALA A 5 -5.662 -0.840 -1.377 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.065 1.418 -3.165 1.00 0.00 C -ATOM 75 H ALA A 5 -7.258 2.176 -2.306 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.553 0.341 -4.271 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.388 2.445 -3.086 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.466 1.291 -4.055 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.473 1.152 -2.293 1.00 0.00 H -ATOM 80 N LYS A 6 -5.967 -1.901 -3.280 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.638 -3.222 -2.663 1.00 0.00 C -ATOM 82 C LYS A 6 -4.381 -3.812 -3.293 1.00 0.00 C -ATOM 83 O LYS A 6 -4.171 -3.735 -4.488 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.843 -4.128 -2.918 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.145 -4.196 -4.418 1.00 0.00 C -ATOM 86 CD LYS A 6 -8.231 -5.243 -4.673 1.00 0.00 C -ATOM 87 CE LYS A 6 -7.586 -6.620 -4.839 1.00 0.00 C -ATOM 88 NZ LYS A 6 -8.691 -7.591 -4.609 1.00 0.00 N -ATOM 89 H LYS A 6 -6.184 -1.843 -4.232 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.494 -3.105 -1.603 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.618 -5.119 -2.551 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.703 -3.737 -2.396 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.489 -3.231 -4.758 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.248 -4.470 -4.953 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -8.914 -5.263 -3.836 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.771 -4.990 -5.573 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -7.187 -6.728 -5.840 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -6.809 -6.764 -4.105 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -8.982 -7.556 -3.612 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -8.364 -8.550 -4.844 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -9.501 -7.343 -5.212 1.00 0.00 H -ATOM 102 N TYR A 7 -3.541 -4.397 -2.481 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.279 -5.001 -2.998 1.00 0.00 C -ATOM 104 C TYR A 7 -2.153 -6.443 -2.514 1.00 0.00 C -ATOM 105 O TYR A 7 -2.047 -6.703 -1.331 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.158 -4.149 -2.421 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.192 -2.806 -3.072 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.194 -1.898 -2.738 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.216 -2.475 -4.002 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.228 -0.643 -3.340 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.233 -1.223 -4.614 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.241 -0.297 -4.285 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.264 0.944 -4.887 1.00 0.00 O -ATOM 114 H TYR A 7 -3.747 -4.440 -1.525 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.252 -4.951 -4.075 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.286 -4.036 -1.362 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.208 -4.614 -2.622 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.947 -2.173 -2.015 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.549 -3.194 -4.254 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -3.004 0.065 -3.066 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.537 -0.969 -5.327 1.00 0.00 H -ATOM 122 HH TYR A 7 -2.166 1.123 -5.163 1.00 0.00 H -ATOM 123 N LYS A 8 -2.167 -7.381 -3.423 1.00 0.00 N -ATOM 124 CA LYS A 8 -2.051 -8.828 -3.037 1.00 0.00 C -ATOM 125 C LYS A 8 -3.064 -9.191 -1.938 1.00 0.00 C -ATOM 126 O LYS A 8 -2.864 -10.131 -1.190 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.619 -8.994 -2.523 1.00 0.00 C -ATOM 128 CG LYS A 8 -0.119 -10.403 -2.849 1.00 0.00 C -ATOM 129 CD LYS A 8 0.268 -10.480 -4.328 1.00 0.00 C -ATOM 130 CE LYS A 8 0.710 -11.906 -4.668 1.00 0.00 C -ATOM 131 NZ LYS A 8 0.132 -12.175 -6.014 1.00 0.00 N -ATOM 132 H LYS A 8 -2.253 -7.134 -4.367 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.202 -9.455 -3.901 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.022 -8.266 -3.000 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.600 -8.847 -1.454 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.742 -10.630 -2.238 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -0.903 -11.119 -2.648 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.583 -10.211 -4.936 1.00 0.00 H -ATOM 139 HD3 LYS A 8 1.081 -9.797 -4.523 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.789 -11.965 -4.699 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.313 -12.605 -3.949 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 -0.900 -12.042 -5.981 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 0.348 -13.152 -6.295 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 0.546 -11.520 -6.707 1.00 0.00 H -ATOM 145 N GLY A 9 -4.147 -8.459 -1.840 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.175 -8.765 -0.798 1.00 0.00 C -ATOM 147 C GLY A 9 -4.998 -7.835 0.409 1.00 0.00 C -ATOM 148 O GLY A 9 -5.204 -8.233 1.539 1.00 0.00 O -ATOM 149 H GLY A 9 -4.288 -7.712 -2.457 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.161 -8.623 -1.217 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.065 -9.789 -0.476 1.00 0.00 H -ATOM 152 N ARG A 10 -4.621 -6.602 0.177 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.434 -5.643 1.310 1.00 0.00 C -ATOM 154 C ARG A 10 -4.870 -4.238 0.887 1.00 0.00 C -ATOM 155 O ARG A 10 -4.182 -3.570 0.138 1.00 0.00 O -ATOM 156 CB ARG A 10 -2.934 -5.669 1.609 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.515 -7.081 2.025 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.051 -7.069 2.471 1.00 0.00 C -ATOM 159 NE ARG A 10 -0.683 -8.504 2.622 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.972 -9.138 3.724 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.451 -8.751 4.857 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.782 -10.161 3.697 1.00 0.00 N -ATOM 163 H ARG A 10 -4.463 -6.305 -0.743 1.00 0.00 H -ATOM 164 HA ARG A 10 -4.989 -5.968 2.176 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.387 -5.375 0.725 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.715 -4.980 2.412 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.138 -7.415 2.842 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.627 -7.751 1.187 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.434 -6.597 1.718 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -0.950 -6.559 3.416 1.00 0.00 H -ATOM 171 HE ARG A 10 -0.226 -8.973 1.892 1.00 0.00 H -ATOM 172 HH11 ARG A 10 0.172 -7.967 4.878 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -0.672 -9.236 5.702 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -2.182 -10.458 2.829 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -2.003 -10.647 4.542 1.00 0.00 H -ATOM 176 N THR A 11 -6.011 -3.786 1.354 1.00 0.00 N -ATOM 177 CA THR A 11 -6.492 -2.425 0.964 1.00 0.00 C -ATOM 178 C THR A 11 -5.636 -1.332 1.615 1.00 0.00 C -ATOM 179 O THR A 11 -4.918 -1.578 2.567 1.00 0.00 O -ATOM 180 CB THR A 11 -7.931 -2.326 1.468 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.692 -3.406 0.944 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.532 -0.995 1.000 1.00 0.00 C -ATOM 183 H THR A 11 -6.550 -4.344 1.952 1.00 0.00 H -ATOM 184 HA THR A 11 -6.481 -2.326 -0.105 1.00 0.00 H -ATOM 185 HB THR A 11 -7.942 -2.362 2.545 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.938 -3.978 1.677 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.608 -1.035 1.081 1.00 0.00 H -ATOM 188 HG22 THR A 11 -8.252 -0.816 -0.029 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.153 -0.192 1.617 1.00 0.00 H -ATOM 190 N PHE A 12 -5.723 -0.122 1.116 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.933 0.997 1.708 1.00 0.00 C -ATOM 192 C PHE A 12 -5.814 2.228 1.917 1.00 0.00 C -ATOM 193 O PHE A 12 -6.462 2.703 1.007 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.818 1.292 0.702 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.731 0.286 0.901 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.818 -0.922 0.223 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.639 0.556 1.742 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.819 -1.883 0.380 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.631 -0.408 1.894 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.725 -1.629 1.216 1.00 0.00 C -ATOM 201 H PHE A 12 -6.316 0.049 0.355 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.500 0.688 2.647 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.195 1.208 -0.319 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.427 2.284 0.869 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.666 -1.110 -0.428 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.578 1.498 2.274 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.895 -2.821 -0.134 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.223 -0.211 2.528 1.00 0.00 H -ATOM 209 HZ PHE A 12 0.050 -2.373 1.331 1.00 0.00 H -ATOM 210 N ARG A 13 -5.834 2.747 3.117 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.657 3.955 3.410 1.00 0.00 C -ATOM 212 C ARG A 13 -5.759 5.050 3.984 1.00 0.00 C -ATOM 213 O ARG A 13 -6.151 5.800 4.858 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.687 3.498 4.446 1.00 0.00 C -ATOM 215 CG ARG A 13 -9.008 3.173 3.746 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.982 2.557 4.752 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.258 3.640 5.734 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.456 4.149 5.826 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.135 4.419 4.745 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -11.975 4.388 7.000 1.00 0.00 N -ATOM 221 H ARG A 13 -5.296 2.342 3.829 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.154 4.301 2.517 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.320 2.617 4.951 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -7.847 4.287 5.166 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.433 4.081 3.343 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.829 2.472 2.945 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -10.893 2.255 4.253 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.526 1.713 5.249 1.00 0.00 H -ATOM 229 HE ARG A 13 -9.539 3.972 6.312 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -11.737 4.235 3.846 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -13.053 4.809 4.814 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -11.455 4.181 7.829 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -12.894 4.778 7.071 1.00 0.00 H -ATOM 234 N ASN A 14 -4.550 5.135 3.494 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.597 6.169 3.997 1.00 0.00 C -ATOM 236 C ASN A 14 -2.388 6.260 3.061 1.00 0.00 C -ATOM 237 O ASN A 14 -1.883 5.258 2.590 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.170 5.678 5.380 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.994 6.873 6.318 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.918 7.262 7.004 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.839 7.476 6.377 1.00 0.00 N -ATOM 242 H ASN A 14 -4.266 4.512 2.789 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.085 7.127 4.077 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.928 5.016 5.776 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.234 5.144 5.300 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -1.093 7.162 5.824 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.716 8.243 6.974 1.00 0.00 H -ATOM 248 N GLU A 15 -1.931 7.452 2.779 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.759 7.614 1.862 1.00 0.00 C -ATOM 250 C GLU A 15 0.514 7.053 2.505 1.00 0.00 C -ATOM 251 O GLU A 15 1.305 6.395 1.857 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.625 9.123 1.643 1.00 0.00 C -ATOM 253 CG GLU A 15 0.077 9.383 0.308 1.00 0.00 C -ATOM 254 CD GLU A 15 0.913 10.660 0.411 1.00 0.00 C -ATOM 255 OE1 GLU A 15 0.345 11.693 0.727 1.00 0.00 O -ATOM 256 OE2 GLU A 15 2.107 10.583 0.173 1.00 0.00 O -ATOM 257 H GLU A 15 -2.363 8.242 3.167 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.951 7.124 0.922 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.607 9.573 1.628 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.043 9.553 2.444 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.721 8.548 0.073 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.661 9.500 -0.470 1.00 0.00 H -ATOM 263 N LYS A 16 0.719 7.316 3.771 1.00 0.00 N -ATOM 264 CA LYS A 16 1.948 6.810 4.465 1.00 0.00 C -ATOM 265 C LYS A 16 2.077 5.295 4.308 1.00 0.00 C -ATOM 266 O LYS A 16 3.115 4.779 3.936 1.00 0.00 O -ATOM 267 CB LYS A 16 1.769 7.187 5.946 1.00 0.00 C -ATOM 268 CG LYS A 16 2.926 8.089 6.407 1.00 0.00 C -ATOM 269 CD LYS A 16 3.584 7.499 7.659 1.00 0.00 C -ATOM 270 CE LYS A 16 4.738 8.400 8.108 1.00 0.00 C -ATOM 271 NZ LYS A 16 5.837 7.466 8.479 1.00 0.00 N -ATOM 272 H LYS A 16 0.072 7.855 4.265 1.00 0.00 H -ATOM 273 HA LYS A 16 2.808 7.292 4.067 1.00 0.00 H -ATOM 274 HB2 LYS A 16 0.835 7.714 6.073 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.753 6.288 6.547 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.664 8.168 5.621 1.00 0.00 H -ATOM 277 HG3 LYS A 16 2.544 9.072 6.637 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.851 7.430 8.450 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.965 6.515 7.435 1.00 0.00 H -ATOM 280 HE2 LYS A 16 5.048 9.046 7.297 1.00 0.00 H -ATOM 281 HE3 LYS A 16 4.445 8.986 8.965 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 6.591 7.993 8.965 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 6.221 7.023 7.621 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 5.466 6.728 9.111 1.00 0.00 H -ATOM 285 N GLU A 17 1.026 4.592 4.596 1.00 0.00 N -ATOM 286 CA GLU A 17 1.045 3.097 4.480 1.00 0.00 C -ATOM 287 C GLU A 17 1.417 2.669 3.061 1.00 0.00 C -ATOM 288 O GLU A 17 2.455 2.082 2.826 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.387 2.649 4.785 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.679 2.772 6.280 1.00 0.00 C -ATOM 291 CD GLU A 17 0.266 1.864 7.074 1.00 0.00 C -ATOM 292 OE1 GLU A 17 1.353 2.314 7.399 1.00 0.00 O -ATOM 293 OE2 GLU A 17 -0.115 0.737 7.344 1.00 0.00 O -ATOM 294 H GLU A 17 0.218 5.052 4.894 1.00 0.00 H -ATOM 295 HA GLU A 17 1.728 2.668 5.196 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.079 3.271 4.236 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.515 1.622 4.480 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.541 3.797 6.588 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.699 2.474 6.464 1.00 0.00 H -ATOM 300 N LEU A 18 0.554 2.946 2.120 1.00 0.00 N -ATOM 301 CA LEU A 18 0.812 2.548 0.704 1.00 0.00 C -ATOM 302 C LEU A 18 2.171 3.063 0.223 1.00 0.00 C -ATOM 303 O LEU A 18 2.911 2.348 -0.428 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.332 3.177 -0.098 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.426 2.517 -1.471 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.881 1.061 -1.319 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.441 3.276 -2.328 1.00 0.00 C -ATOM 308 H LEU A 18 -0.279 3.406 2.352 1.00 0.00 H -ATOM 309 HA LEU A 18 0.778 1.479 0.615 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.262 3.036 0.434 1.00 0.00 H -ATOM 311 HB3 LEU A 18 -0.145 4.233 -0.220 1.00 0.00 H -ATOM 312 HG LEU A 18 0.540 2.549 -1.946 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.538 0.662 -0.389 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.474 0.474 -2.113 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.959 1.013 -1.355 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.214 3.686 -1.694 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.884 2.601 -3.044 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -0.942 4.079 -2.852 1.00 0.00 H -ATOM 319 N ARG A 19 2.515 4.283 0.548 1.00 0.00 N -ATOM 320 CA ARG A 19 3.843 4.822 0.119 1.00 0.00 C -ATOM 321 C ARG A 19 4.972 3.948 0.685 1.00 0.00 C -ATOM 322 O ARG A 19 6.079 3.946 0.181 1.00 0.00 O -ATOM 323 CB ARG A 19 3.916 6.236 0.693 1.00 0.00 C -ATOM 324 CG ARG A 19 3.076 7.176 -0.172 1.00 0.00 C -ATOM 325 CD ARG A 19 3.939 7.738 -1.305 1.00 0.00 C -ATOM 326 NE ARG A 19 2.967 8.216 -2.328 1.00 0.00 N -ATOM 327 CZ ARG A 19 2.324 7.355 -3.070 1.00 0.00 C -ATOM 328 NH1 ARG A 19 2.968 6.368 -3.632 1.00 0.00 N -ATOM 329 NH2 ARG A 19 1.038 7.482 -3.251 1.00 0.00 N -ATOM 330 H ARG A 19 1.908 4.837 1.085 1.00 0.00 H -ATOM 331 HA ARG A 19 3.902 4.860 -0.956 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.538 6.234 1.704 1.00 0.00 H -ATOM 333 HB3 ARG A 19 4.942 6.570 0.691 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.243 6.630 -0.589 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.706 7.990 0.434 1.00 0.00 H -ATOM 336 HD2 ARG A 19 4.543 8.560 -0.944 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.564 6.964 -1.721 1.00 0.00 H -ATOM 338 HE ARG A 19 2.810 9.175 -2.444 1.00 0.00 H -ATOM 339 HH11 ARG A 19 3.954 6.271 -3.495 1.00 0.00 H -ATOM 340 HH12 ARG A 19 2.475 5.709 -4.200 1.00 0.00 H -ATOM 341 HH21 ARG A 19 0.545 8.239 -2.822 1.00 0.00 H -ATOM 342 HH22 ARG A 19 0.546 6.823 -3.820 1.00 0.00 H -ATOM 343 N ASP A 20 4.690 3.198 1.727 1.00 0.00 N -ATOM 344 CA ASP A 20 5.732 2.317 2.329 1.00 0.00 C -ATOM 345 C ASP A 20 5.555 0.871 1.843 1.00 0.00 C -ATOM 346 O ASP A 20 6.490 0.094 1.847 1.00 0.00 O -ATOM 347 CB ASP A 20 5.500 2.411 3.840 1.00 0.00 C -ATOM 348 CG ASP A 20 6.537 1.559 4.575 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.698 1.624 4.205 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.153 0.855 5.495 1.00 0.00 O -ATOM 351 H ASP A 20 3.792 3.213 2.113 1.00 0.00 H -ATOM 352 HA ASP A 20 6.718 2.677 2.085 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.592 3.440 4.154 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.508 2.051 4.077 1.00 0.00 H -ATOM 355 N PHE A 21 4.363 0.502 1.430 1.00 0.00 N -ATOM 356 CA PHE A 21 4.134 -0.897 0.953 1.00 0.00 C -ATOM 357 C PHE A 21 4.816 -1.131 -0.404 1.00 0.00 C -ATOM 358 O PHE A 21 5.839 -1.782 -0.485 1.00 0.00 O -ATOM 359 CB PHE A 21 2.620 -1.059 0.826 1.00 0.00 C -ATOM 360 CG PHE A 21 2.352 -2.465 0.366 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.371 -3.495 1.299 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.116 -2.738 -0.986 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.145 -4.815 0.892 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.891 -4.056 -1.398 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.903 -5.096 -0.459 1.00 0.00 C -ATOM 366 H PHE A 21 3.621 1.143 1.439 1.00 0.00 H -ATOM 367 HA PHE A 21 4.502 -1.608 1.682 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.166 -0.901 1.786 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.213 -0.354 0.123 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.570 -3.267 2.335 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.116 -1.934 -1.711 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.159 -5.615 1.617 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.708 -4.270 -2.440 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.728 -6.113 -0.776 1.00 0.00 H -ATOM 375 N ILE A 22 4.238 -0.617 -1.470 1.00 0.00 N -ATOM 376 CA ILE A 22 4.828 -0.810 -2.841 1.00 0.00 C -ATOM 377 C ILE A 22 6.329 -0.493 -2.815 1.00 0.00 C -ATOM 378 O ILE A 22 7.119 -1.093 -3.519 1.00 0.00 O -ATOM 379 CB ILE A 22 4.081 0.173 -3.751 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.607 -0.236 -3.833 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.677 0.123 -5.157 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.758 0.687 -2.972 1.00 0.00 C -ATOM 383 H ILE A 22 3.413 -0.112 -1.368 1.00 0.00 H -ATOM 384 HA ILE A 22 4.648 -1.819 -3.186 1.00 0.00 H -ATOM 385 HB ILE A 22 4.165 1.174 -3.354 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.270 -0.175 -4.857 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.496 -1.248 -3.481 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.089 0.741 -5.818 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.663 -0.898 -5.510 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.695 0.482 -5.131 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.476 0.166 -2.067 1.00 0.00 H -ATOM 392 HD12 ILE A 22 0.868 0.965 -3.514 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.320 1.573 -2.719 1.00 0.00 H -ATOM 394 N GLU A 23 6.711 0.438 -1.982 1.00 0.00 N -ATOM 395 CA GLU A 23 8.155 0.798 -1.868 1.00 0.00 C -ATOM 396 C GLU A 23 8.921 -0.401 -1.309 1.00 0.00 C -ATOM 397 O GLU A 23 10.019 -0.705 -1.734 1.00 0.00 O -ATOM 398 CB GLU A 23 8.207 1.975 -0.888 1.00 0.00 C -ATOM 399 CG GLU A 23 9.659 2.440 -0.711 1.00 0.00 C -ATOM 400 CD GLU A 23 9.882 3.748 -1.475 1.00 0.00 C -ATOM 401 OE1 GLU A 23 8.991 4.581 -1.455 1.00 0.00 O -ATOM 402 OE2 GLU A 23 10.938 3.893 -2.065 1.00 0.00 O -ATOM 403 H GLU A 23 6.042 0.887 -1.418 1.00 0.00 H -ATOM 404 HA GLU A 23 8.552 1.092 -2.827 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.608 2.788 -1.272 1.00 0.00 H -ATOM 406 HB3 GLU A 23 7.814 1.662 0.068 1.00 0.00 H -ATOM 407 HG2 GLU A 23 9.858 2.600 0.340 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.332 1.685 -1.091 1.00 0.00 H -ATOM 409 N LYS A 24 8.332 -1.089 -0.365 1.00 0.00 N -ATOM 410 CA LYS A 24 8.997 -2.285 0.227 1.00 0.00 C -ATOM 411 C LYS A 24 8.757 -3.500 -0.672 1.00 0.00 C -ATOM 412 O LYS A 24 9.686 -4.169 -1.085 1.00 0.00 O -ATOM 413 CB LYS A 24 8.325 -2.484 1.589 1.00 0.00 C -ATOM 414 CG LYS A 24 9.238 -1.955 2.698 1.00 0.00 C -ATOM 415 CD LYS A 24 10.064 -3.109 3.274 1.00 0.00 C -ATOM 416 CE LYS A 24 10.382 -2.836 4.751 1.00 0.00 C -ATOM 417 NZ LYS A 24 11.866 -2.725 4.817 1.00 0.00 N -ATOM 418 H LYS A 24 7.442 -0.823 -0.052 1.00 0.00 H -ATOM 419 HA LYS A 24 10.054 -2.108 0.354 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.388 -1.947 1.608 1.00 0.00 H -ATOM 421 HB3 LYS A 24 8.139 -3.536 1.749 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.900 -1.204 2.292 1.00 0.00 H -ATOM 423 HG3 LYS A 24 8.637 -1.519 3.482 1.00 0.00 H -ATOM 424 HD2 LYS A 24 9.501 -4.027 3.191 1.00 0.00 H -ATOM 425 HD3 LYS A 24 10.986 -3.201 2.719 1.00 0.00 H -ATOM 426 HE2 LYS A 24 9.920 -1.912 5.074 1.00 0.00 H -ATOM 427 HE3 LYS A 24 10.046 -3.657 5.364 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 12.161 -2.601 5.806 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 12.179 -1.906 4.260 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 12.295 -3.593 4.433 1.00 0.00 H -ATOM 431 N PHE A 25 7.515 -3.785 -0.980 1.00 0.00 N -ATOM 432 CA PHE A 25 7.203 -4.946 -1.851 1.00 0.00 C -ATOM 433 C PHE A 25 7.296 -4.543 -3.328 1.00 0.00 C -ATOM 434 O PHE A 25 6.363 -4.727 -4.088 1.00 0.00 O -ATOM 435 CB PHE A 25 5.770 -5.347 -1.487 1.00 0.00 C -ATOM 436 CG PHE A 25 5.356 -6.557 -2.293 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.152 -7.709 -2.293 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.177 -6.522 -3.042 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.766 -8.826 -3.043 1.00 0.00 C -ATOM 440 CE2 PHE A 25 3.789 -7.638 -3.793 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.585 -8.790 -3.795 1.00 0.00 C -ATOM 442 H PHE A 25 6.789 -3.235 -0.636 1.00 0.00 H -ATOM 443 HA PHE A 25 7.873 -5.751 -1.636 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.719 -5.583 -0.434 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.100 -4.528 -1.704 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.063 -7.736 -1.713 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.565 -5.631 -3.040 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.381 -9.715 -3.045 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.878 -7.609 -4.372 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.286 -9.652 -4.373 1.00 0.00 H -ATOM 451 N LYS A 26 8.414 -3.998 -3.737 1.00 0.00 N -ATOM 452 CA LYS A 26 8.571 -3.586 -5.166 1.00 0.00 C -ATOM 453 C LYS A 26 8.766 -4.810 -6.063 1.00 0.00 C -ATOM 454 O LYS A 26 8.523 -4.762 -7.255 1.00 0.00 O -ATOM 455 CB LYS A 26 9.814 -2.695 -5.195 1.00 0.00 C -ATOM 456 CG LYS A 26 9.396 -1.230 -5.049 1.00 0.00 C -ATOM 457 CD LYS A 26 10.360 -0.342 -5.838 1.00 0.00 C -ATOM 458 CE LYS A 26 10.009 1.129 -5.604 1.00 0.00 C -ATOM 459 NZ LYS A 26 8.778 1.364 -6.410 1.00 0.00 N -ATOM 460 H LYS A 26 9.151 -3.864 -3.106 1.00 0.00 H -ATOM 461 HA LYS A 26 7.714 -3.029 -5.486 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.469 -2.967 -4.379 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.332 -2.829 -6.133 1.00 0.00 H -ATOM 464 HG2 LYS A 26 8.393 -1.103 -5.430 1.00 0.00 H -ATOM 465 HG3 LYS A 26 9.423 -0.950 -4.007 1.00 0.00 H -ATOM 466 HD2 LYS A 26 11.372 -0.529 -5.510 1.00 0.00 H -ATOM 467 HD3 LYS A 26 10.277 -0.567 -6.892 1.00 0.00 H -ATOM 468 HE2 LYS A 26 9.815 1.305 -4.555 1.00 0.00 H -ATOM 469 HE3 LYS A 26 10.806 1.766 -5.954 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 8.945 1.070 -7.393 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 8.536 2.377 -6.385 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 7.993 0.810 -6.013 1.00 0.00 H -ATOM 473 N GLY A 27 9.199 -5.903 -5.496 1.00 0.00 N -ATOM 474 CA GLY A 27 9.413 -7.141 -6.301 1.00 0.00 C -ATOM 475 C GLY A 27 10.910 -7.346 -6.538 1.00 0.00 C -ATOM 476 O GLY A 27 11.322 -7.826 -7.578 1.00 0.00 O -ATOM 477 H GLY A 27 9.384 -5.907 -4.538 1.00 0.00 H -ATOM 478 HA2 GLY A 27 9.011 -7.991 -5.766 1.00 0.00 H -ATOM 479 HA3 GLY A 27 8.912 -7.044 -7.252 1.00 0.00 H -ATOM 480 N ARG A 28 11.726 -6.985 -5.580 1.00 0.00 N -ATOM 481 CA ARG A 28 13.201 -7.155 -5.741 1.00 0.00 C -ATOM 482 C ARG A 28 13.650 -8.490 -5.140 1.00 0.00 C -ATOM 483 O ARG A 28 12.912 -9.032 -4.335 1.00 0.00 O -ATOM 484 CB ARG A 28 13.820 -5.986 -4.974 1.00 0.00 C -ATOM 485 CG ARG A 28 15.121 -5.558 -5.657 1.00 0.00 C -ATOM 486 CD ARG A 28 15.394 -4.074 -5.379 1.00 0.00 C -ATOM 487 NE ARG A 28 15.425 -3.425 -6.720 1.00 0.00 N -ATOM 488 CZ ARG A 28 16.344 -2.541 -6.996 1.00 0.00 C -ATOM 489 NH1 ARG A 28 16.600 -1.580 -6.151 1.00 0.00 N -ATOM 490 NH2 ARG A 28 17.007 -2.616 -8.118 1.00 0.00 N -ATOM 491 OXT ARG A 28 14.724 -8.945 -5.495 1.00 0.00 O -ATOM 492 H ARG A 28 11.366 -6.602 -4.753 1.00 0.00 H -ATOM 493 HA ARG A 28 13.475 -7.098 -6.782 1.00 0.00 H -ATOM 494 HB2 ARG A 28 13.128 -5.156 -4.963 1.00 0.00 H -ATOM 495 HB3 ARG A 28 14.032 -6.292 -3.959 1.00 0.00 H -ATOM 496 HG2 ARG A 28 15.939 -6.152 -5.272 1.00 0.00 H -ATOM 497 HG3 ARG A 28 15.035 -5.715 -6.722 1.00 0.00 H -ATOM 498 HD2 ARG A 28 14.603 -3.650 -4.773 1.00 0.00 H -ATOM 499 HD3 ARG A 28 16.347 -3.953 -4.890 1.00 0.00 H -ATOM 500 HE ARG A 28 14.756 -3.664 -7.395 1.00 0.00 H -ATOM 501 HH11 ARG A 28 16.093 -1.522 -5.291 1.00 0.00 H -ATOM 502 HH12 ARG A 28 17.303 -0.903 -6.363 1.00 0.00 H -ATOM 503 HH21 ARG A 28 16.811 -3.352 -8.766 1.00 0.00 H -ATOM 504 HH22 ARG A 28 17.712 -1.939 -8.330 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 7 -ATOM 1 N GLU A 1 -12.329 9.626 4.575 1.00 0.00 N -ATOM 2 CA GLU A 1 -12.564 8.725 3.409 1.00 0.00 C -ATOM 3 C GLU A 1 -11.363 8.772 2.458 1.00 0.00 C -ATOM 4 O GLU A 1 -10.817 9.825 2.185 1.00 0.00 O -ATOM 5 CB GLU A 1 -13.820 9.276 2.722 1.00 0.00 C -ATOM 6 CG GLU A 1 -15.001 8.336 2.973 1.00 0.00 C -ATOM 7 CD GLU A 1 -16.313 9.100 2.783 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -16.559 10.017 3.549 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -17.049 8.755 1.873 1.00 0.00 O -ATOM 10 H1 GLU A 1 -11.484 9.312 5.093 1.00 0.00 H -ATOM 11 H2 GLU A 1 -13.155 9.595 5.208 1.00 0.00 H -ATOM 12 H3 GLU A 1 -12.186 10.599 4.239 1.00 0.00 H -ATOM 13 HA GLU A 1 -12.737 7.714 3.745 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -14.047 10.255 3.121 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -13.644 9.354 1.659 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -14.959 7.512 2.276 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -14.952 7.956 3.982 1.00 0.00 H -ATOM 18 N GLN A 2 -10.951 7.636 1.955 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.786 7.601 1.020 1.00 0.00 C -ATOM 20 C GLN A 2 -9.912 6.408 0.067 1.00 0.00 C -ATOM 21 O GLN A 2 -10.765 5.558 0.233 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.556 7.447 1.922 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.446 8.386 1.446 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.637 9.765 2.082 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -7.471 9.925 3.275 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -7.980 10.774 1.329 1.00 0.00 N -ATOM 27 H GLN A 2 -11.409 6.803 2.193 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.724 8.522 0.463 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.824 7.693 2.939 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -8.204 6.427 1.880 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -6.486 7.984 1.738 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.487 8.479 0.372 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -8.112 10.644 0.368 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -8.105 11.661 1.726 1.00 0.00 H -ATOM 35 N TYR A 3 -9.070 6.345 -0.936 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.135 5.215 -1.916 1.00 0.00 C -ATOM 37 C TYR A 3 -9.065 3.856 -1.217 1.00 0.00 C -ATOM 38 O TYR A 3 -8.774 3.763 -0.040 1.00 0.00 O -ATOM 39 CB TYR A 3 -7.938 5.400 -2.855 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.662 5.583 -2.069 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.140 4.542 -1.289 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.002 6.813 -2.123 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -4.963 4.737 -0.570 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.824 7.006 -1.404 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.302 5.969 -0.626 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.135 6.158 0.083 1.00 0.00 O -ATOM 47 H TYR A 3 -8.397 7.048 -1.052 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.036 5.283 -2.483 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -7.845 4.534 -3.492 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.106 6.275 -3.464 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.643 3.588 -1.239 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.405 7.615 -2.724 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.566 3.938 0.028 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.321 7.956 -1.446 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.508 5.484 -0.190 1.00 0.00 H -ATOM 56 N THR A 4 -9.326 2.801 -1.949 1.00 0.00 N -ATOM 57 CA THR A 4 -9.272 1.434 -1.353 1.00 0.00 C -ATOM 58 C THR A 4 -8.302 0.556 -2.146 1.00 0.00 C -ATOM 59 O THR A 4 -8.544 -0.617 -2.356 1.00 0.00 O -ATOM 60 CB THR A 4 -10.699 0.879 -1.449 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.326 1.353 -2.636 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.503 1.324 -0.226 1.00 0.00 C -ATOM 63 H THR A 4 -9.551 2.910 -2.895 1.00 0.00 H -ATOM 64 HA THR A 4 -8.969 1.489 -0.319 1.00 0.00 H -ATOM 65 HB THR A 4 -10.661 -0.199 -1.473 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.535 2.282 -2.516 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.092 2.245 0.161 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.450 0.559 0.537 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.533 1.480 -0.508 1.00 0.00 H -ATOM 70 N ALA A 5 -7.200 1.117 -2.579 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.188 0.331 -3.356 1.00 0.00 C -ATOM 72 C ALA A 5 -5.840 -0.967 -2.635 1.00 0.00 C -ATOM 73 O ALA A 5 -5.467 -0.947 -1.484 1.00 0.00 O -ATOM 74 CB ALA A 5 -4.948 1.214 -3.405 1.00 0.00 C -ATOM 75 H ALA A 5 -7.035 2.060 -2.393 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.543 0.136 -4.352 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.244 2.249 -3.493 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.344 0.934 -4.254 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.380 1.074 -2.492 1.00 0.00 H -ATOM 80 N LYS A 6 -5.947 -2.082 -3.305 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.616 -3.387 -2.649 1.00 0.00 C -ATOM 82 C LYS A 6 -4.347 -3.989 -3.248 1.00 0.00 C -ATOM 83 O LYS A 6 -4.102 -3.904 -4.437 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.818 -4.304 -2.894 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.125 -4.384 -4.392 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.995 -5.611 -4.674 1.00 0.00 C -ATOM 87 CE LYS A 6 -7.758 -6.085 -6.111 1.00 0.00 C -ATOM 88 NZ LYS A 6 -8.799 -5.391 -6.920 1.00 0.00 N -ATOM 89 H LYS A 6 -6.240 -2.060 -4.238 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.485 -3.241 -1.591 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.588 -5.293 -2.522 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.678 -3.917 -2.371 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.651 -3.491 -4.696 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.202 -4.464 -4.944 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.734 -6.402 -3.985 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -9.035 -5.353 -4.549 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -6.769 -5.800 -6.440 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -7.887 -7.154 -6.180 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -9.737 -5.580 -6.515 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -8.770 -5.743 -7.898 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -8.617 -4.367 -6.913 1.00 0.00 H -ATOM 102 N TYR A 7 -3.538 -4.596 -2.420 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.273 -5.215 -2.909 1.00 0.00 C -ATOM 104 C TYR A 7 -2.181 -6.656 -2.421 1.00 0.00 C -ATOM 105 O TYR A 7 -2.027 -6.914 -1.243 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.158 -4.385 -2.298 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.160 -3.035 -2.942 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.140 -2.107 -2.602 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.176 -2.715 -3.869 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.141 -0.844 -3.194 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.163 -1.453 -4.466 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.149 -0.511 -4.129 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.140 0.738 -4.715 1.00 0.00 O -ATOM 114 H TYR A 7 -3.769 -4.644 -1.469 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.216 -5.164 -3.985 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.319 -4.284 -1.239 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.209 -4.865 -2.477 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.903 -2.371 -1.887 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.571 -3.449 -4.130 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.900 -0.122 -2.919 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.612 -1.202 -5.174 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.533 0.660 -5.587 1.00 0.00 H -ATOM 123 N LYS A 8 -2.282 -7.597 -3.320 1.00 0.00 N -ATOM 124 CA LYS A 8 -2.211 -9.045 -2.930 1.00 0.00 C -ATOM 125 C LYS A 8 -3.173 -9.352 -1.768 1.00 0.00 C -ATOM 126 O LYS A 8 -2.973 -10.294 -1.022 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.761 -9.275 -2.498 1.00 0.00 C -ATOM 128 CG LYS A 8 0.133 -9.348 -3.736 1.00 0.00 C -ATOM 129 CD LYS A 8 -0.121 -10.665 -4.472 1.00 0.00 C -ATOM 130 CE LYS A 8 0.966 -10.879 -5.529 1.00 0.00 C -ATOM 131 NZ LYS A 8 0.663 -9.889 -6.598 1.00 0.00 N -ATOM 132 H LYS A 8 -2.406 -7.349 -4.261 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.442 -9.672 -3.778 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.440 -8.459 -1.868 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.691 -10.203 -1.950 1.00 0.00 H -ATOM 136 HG2 LYS A 8 -0.093 -8.519 -4.392 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.169 -9.298 -3.437 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.102 -11.482 -3.763 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -1.086 -10.628 -4.953 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.943 -10.693 -5.104 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.912 -11.881 -5.926 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 0.867 -8.930 -6.252 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 -0.342 -9.957 -6.860 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 1.252 -10.086 -7.431 1.00 0.00 H -ATOM 145 N GLY A 9 -4.212 -8.566 -1.613 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.187 -8.813 -0.508 1.00 0.00 C -ATOM 147 C GLY A 9 -4.961 -7.815 0.636 1.00 0.00 C -ATOM 148 O GLY A 9 -5.122 -8.148 1.795 1.00 0.00 O -ATOM 149 H GLY A 9 -4.355 -7.819 -2.229 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.192 -8.703 -0.887 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.055 -9.817 -0.132 1.00 0.00 H -ATOM 152 N ARG A 10 -4.594 -6.593 0.323 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.364 -5.578 1.400 1.00 0.00 C -ATOM 154 C ARG A 10 -4.815 -4.192 0.926 1.00 0.00 C -ATOM 155 O ARG A 10 -4.134 -3.551 0.150 1.00 0.00 O -ATOM 156 CB ARG A 10 -2.852 -5.583 1.638 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.401 -6.976 2.085 1.00 0.00 C -ATOM 158 CD ARG A 10 -0.933 -6.923 2.509 1.00 0.00 C -ATOM 159 NE ARG A 10 -0.604 -8.313 2.931 1.00 0.00 N -ATOM 160 CZ ARG A 10 0.243 -9.022 2.237 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.027 -9.337 1.000 1.00 0.00 N -ATOM 162 NH2 ARG A 10 1.362 -9.417 2.782 1.00 0.00 N -ATOM 163 H ARG A 10 -4.470 -6.344 -0.616 1.00 0.00 H -ATOM 164 HA ARG A 10 -4.882 -5.858 2.303 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.345 -5.317 0.722 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.607 -4.864 2.405 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.007 -7.300 2.919 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.513 -7.671 1.266 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.312 -6.624 1.673 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -0.802 -6.244 3.337 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.025 -8.693 3.730 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -0.884 -9.035 0.582 1.00 0.00 H -ATOM 173 HH12 ARG A 10 0.622 -9.882 0.470 1.00 0.00 H -ATOM 174 HH21 ARG A 10 1.569 -9.174 3.730 1.00 0.00 H -ATOM 175 HH22 ARG A 10 2.011 -9.961 2.251 1.00 0.00 H -ATOM 176 N THR A 11 -5.955 -3.722 1.385 1.00 0.00 N -ATOM 177 CA THR A 11 -6.433 -2.375 0.944 1.00 0.00 C -ATOM 178 C THR A 11 -5.615 -1.265 1.613 1.00 0.00 C -ATOM 179 O THR A 11 -4.988 -1.473 2.636 1.00 0.00 O -ATOM 180 CB THR A 11 -7.896 -2.276 1.380 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.628 -3.367 0.839 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.479 -0.956 0.864 1.00 0.00 C -ATOM 183 H THR A 11 -6.490 -4.254 2.010 1.00 0.00 H -ATOM 184 HA THR A 11 -6.374 -2.299 -0.124 1.00 0.00 H -ATOM 185 HB THR A 11 -7.958 -2.294 2.457 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.337 -3.580 1.450 1.00 0.00 H -ATOM 187 HG21 THR A 11 -8.365 -0.191 1.619 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.525 -1.086 0.635 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.949 -0.657 -0.030 1.00 0.00 H -ATOM 190 N PHE A 12 -5.627 -0.082 1.044 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.865 1.051 1.645 1.00 0.00 C -ATOM 192 C PHE A 12 -5.761 2.283 1.792 1.00 0.00 C -ATOM 193 O PHE A 12 -6.305 2.788 0.828 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.717 1.325 0.673 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.650 0.303 0.911 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -1.631 0.536 1.846 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -2.691 -0.886 0.193 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -0.648 -0.440 2.056 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -1.713 -1.860 0.401 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.691 -1.640 1.334 1.00 0.00 C -ATOM 201 H PHE A 12 -6.144 0.060 0.226 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.469 0.763 2.605 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.067 1.241 -0.355 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.317 2.313 0.846 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -1.608 1.464 2.407 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -3.484 -1.047 -0.529 1.00 0.00 H -ATOM 207 HE1 PHE A 12 0.144 -0.267 2.770 1.00 0.00 H -ATOM 208 HE2 PHE A 12 -1.750 -2.783 -0.151 1.00 0.00 H -ATOM 209 HZ PHE A 12 0.066 -2.394 1.494 1.00 0.00 H -ATOM 210 N ARG A 13 -5.908 2.768 2.996 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.756 3.975 3.231 1.00 0.00 C -ATOM 212 C ARG A 13 -5.873 5.130 3.706 1.00 0.00 C -ATOM 213 O ARG A 13 -6.292 5.970 4.480 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.758 3.568 4.319 1.00 0.00 C -ATOM 215 CG ARG A 13 -7.011 3.090 5.573 1.00 0.00 C -ATOM 216 CD ARG A 13 -7.706 3.628 6.829 1.00 0.00 C -ATOM 217 NE ARG A 13 -8.403 2.451 7.420 1.00 0.00 N -ATOM 218 CZ ARG A 13 -7.908 1.860 8.472 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -7.688 2.544 9.562 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -7.631 0.585 8.436 1.00 0.00 N -ATOM 221 H ARG A 13 -5.452 2.342 3.752 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.280 4.247 2.328 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.377 4.417 4.570 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.382 2.767 3.950 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -7.007 2.010 5.597 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -5.994 3.452 5.545 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -6.974 4.020 7.522 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -8.424 4.390 6.568 1.00 0.00 H -ATOM 229 HE ARG A 13 -9.234 2.121 7.017 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -7.901 3.520 9.591 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -7.309 2.090 10.368 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -7.798 0.061 7.601 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -7.251 0.133 9.242 1.00 0.00 H -ATOM 234 N ASN A 14 -4.649 5.168 3.245 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.714 6.257 3.656 1.00 0.00 C -ATOM 236 C ASN A 14 -2.490 6.264 2.736 1.00 0.00 C -ATOM 237 O ASN A 14 -2.053 5.229 2.265 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.310 5.910 5.092 1.00 0.00 C -ATOM 239 CG ASN A 14 -3.290 7.182 5.944 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -4.324 7.670 6.354 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.146 7.742 6.230 1.00 0.00 N -ATOM 242 H ASN A 14 -4.344 4.474 2.622 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.213 7.212 3.630 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -4.023 5.212 5.507 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.327 5.464 5.093 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -1.312 7.348 5.899 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -2.121 8.556 6.773 1.00 0.00 H -ATOM 248 N GLU A 15 -1.940 7.421 2.470 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.747 7.503 1.569 1.00 0.00 C -ATOM 250 C GLU A 15 0.506 6.991 2.286 1.00 0.00 C -ATOM 251 O GLU A 15 1.274 6.225 1.737 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.600 8.987 1.233 1.00 0.00 C -ATOM 253 CG GLU A 15 0.045 9.135 -0.147 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.175 10.557 -0.665 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -1.281 10.847 -1.092 1.00 0.00 O -ATOM 256 OE2 GLU A 15 0.765 11.333 -0.625 1.00 0.00 O -ATOM 257 H GLU A 15 -2.317 8.239 2.858 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.920 6.937 0.667 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.574 9.454 1.227 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.025 9.465 1.972 1.00 0.00 H -ATOM 261 HG2 GLU A 15 1.105 8.939 -0.071 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.403 8.431 -0.832 1.00 0.00 H -ATOM 263 N LYS A 16 0.720 7.417 3.506 1.00 0.00 N -ATOM 264 CA LYS A 16 1.929 6.970 4.270 1.00 0.00 C -ATOM 265 C LYS A 16 2.027 5.446 4.298 1.00 0.00 C -ATOM 266 O LYS A 16 3.082 4.871 4.106 1.00 0.00 O -ATOM 267 CB LYS A 16 1.729 7.509 5.687 1.00 0.00 C -ATOM 268 CG LYS A 16 2.187 8.968 5.749 1.00 0.00 C -ATOM 269 CD LYS A 16 3.682 9.019 6.072 1.00 0.00 C -ATOM 270 CE LYS A 16 4.186 10.458 5.947 1.00 0.00 C -ATOM 271 NZ LYS A 16 4.823 10.528 4.603 1.00 0.00 N -ATOM 272 H LYS A 16 0.090 8.040 3.920 1.00 0.00 H -ATOM 273 HA LYS A 16 2.808 7.391 3.841 1.00 0.00 H -ATOM 274 HB2 LYS A 16 0.682 7.447 5.948 1.00 0.00 H -ATOM 275 HB3 LYS A 16 2.310 6.921 6.381 1.00 0.00 H -ATOM 276 HG2 LYS A 16 2.007 9.443 4.795 1.00 0.00 H -ATOM 277 HG3 LYS A 16 1.637 9.485 6.520 1.00 0.00 H -ATOM 278 HD2 LYS A 16 3.844 8.665 7.080 1.00 0.00 H -ATOM 279 HD3 LYS A 16 4.220 8.389 5.379 1.00 0.00 H -ATOM 280 HE2 LYS A 16 3.359 11.152 6.011 1.00 0.00 H -ATOM 281 HE3 LYS A 16 4.916 10.669 6.713 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 5.593 9.832 4.548 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 5.206 11.483 4.450 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 4.115 10.316 3.872 1.00 0.00 H -ATOM 285 N GLU A 17 0.929 4.804 4.543 1.00 0.00 N -ATOM 286 CA GLU A 17 0.913 3.307 4.600 1.00 0.00 C -ATOM 287 C GLU A 17 1.366 2.706 3.270 1.00 0.00 C -ATOM 288 O GLU A 17 2.388 2.053 3.181 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.547 2.922 4.854 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.985 3.377 6.243 1.00 0.00 C -ATOM 291 CD GLU A 17 -0.146 2.672 7.312 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.929 3.166 7.613 1.00 0.00 O -ATOM 293 OE2 GLU A 17 -0.592 1.653 7.812 1.00 0.00 O -ATOM 294 H GLU A 17 0.109 5.312 4.696 1.00 0.00 H -ATOM 295 HA GLU A 17 1.533 2.952 5.408 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.175 3.394 4.113 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.653 1.850 4.779 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.858 4.445 6.326 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -2.026 3.125 6.382 1.00 0.00 H -ATOM 300 N LEU A 18 0.580 2.897 2.245 1.00 0.00 N -ATOM 301 CA LEU A 18 0.904 2.318 0.909 1.00 0.00 C -ATOM 302 C LEU A 18 2.313 2.689 0.441 1.00 0.00 C -ATOM 303 O LEU A 18 3.074 1.831 0.046 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.146 2.889 -0.043 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.053 2.173 -1.387 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.570 0.741 -1.244 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -0.900 2.917 -2.422 1.00 0.00 C -ATOM 308 H LEU A 18 -0.248 3.404 2.364 1.00 0.00 H -ATOM 309 HA LEU A 18 0.810 1.249 0.949 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.131 2.743 0.377 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.032 3.945 -0.186 1.00 0.00 H -ATOM 312 HG LEU A 18 0.975 2.153 -1.709 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.332 0.362 -0.267 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.111 0.114 -1.991 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.641 0.735 -1.376 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -1.948 2.766 -2.204 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -0.679 2.537 -3.408 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -0.672 3.972 -2.382 1.00 0.00 H -ATOM 319 N ARG A 19 2.676 3.947 0.469 1.00 0.00 N -ATOM 320 CA ARG A 19 4.051 4.330 0.005 1.00 0.00 C -ATOM 321 C ARG A 19 5.108 3.512 0.762 1.00 0.00 C -ATOM 322 O ARG A 19 6.118 3.121 0.207 1.00 0.00 O -ATOM 323 CB ARG A 19 4.189 5.822 0.317 1.00 0.00 C -ATOM 324 CG ARG A 19 3.311 6.640 -0.642 1.00 0.00 C -ATOM 325 CD ARG A 19 4.195 7.394 -1.639 1.00 0.00 C -ATOM 326 NE ARG A 19 3.371 7.505 -2.874 1.00 0.00 N -ATOM 327 CZ ARG A 19 2.551 8.509 -3.024 1.00 0.00 C -ATOM 328 NH1 ARG A 19 3.015 9.728 -3.070 1.00 0.00 N -ATOM 329 NH2 ARG A 19 1.269 8.294 -3.125 1.00 0.00 N -ATOM 330 H ARG A 19 2.051 4.634 0.784 1.00 0.00 H -ATOM 331 HA ARG A 19 4.139 4.159 -1.062 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.876 6.004 1.334 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.221 6.116 0.201 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.645 5.979 -1.179 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.728 7.350 -0.073 1.00 0.00 H -ATOM 336 HD2 ARG A 19 4.437 8.377 -1.257 1.00 0.00 H -ATOM 337 HD3 ARG A 19 5.095 6.836 -1.843 1.00 0.00 H -ATOM 338 HE ARG A 19 3.443 6.822 -3.574 1.00 0.00 H -ATOM 339 HH11 ARG A 19 3.998 9.892 -2.991 1.00 0.00 H -ATOM 340 HH12 ARG A 19 2.387 10.497 -3.184 1.00 0.00 H -ATOM 341 HH21 ARG A 19 0.913 7.360 -3.088 1.00 0.00 H -ATOM 342 HH22 ARG A 19 0.640 9.063 -3.239 1.00 0.00 H -ATOM 343 N ASP A 20 4.856 3.221 2.015 1.00 0.00 N -ATOM 344 CA ASP A 20 5.817 2.390 2.801 1.00 0.00 C -ATOM 345 C ASP A 20 5.713 0.950 2.298 1.00 0.00 C -ATOM 346 O ASP A 20 6.695 0.249 2.152 1.00 0.00 O -ATOM 347 CB ASP A 20 5.354 2.493 4.254 1.00 0.00 C -ATOM 348 CG ASP A 20 6.116 3.617 4.957 1.00 0.00 C -ATOM 349 OD1 ASP A 20 5.871 4.767 4.630 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.932 3.311 5.810 1.00 0.00 O -ATOM 351 H ASP A 20 4.020 3.525 2.428 1.00 0.00 H -ATOM 352 HA ASP A 20 6.825 2.763 2.694 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.295 2.703 4.280 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.548 1.559 4.761 1.00 0.00 H -ATOM 355 N PHE A 21 4.511 0.532 2.003 1.00 0.00 N -ATOM 356 CA PHE A 21 4.286 -0.844 1.466 1.00 0.00 C -ATOM 357 C PHE A 21 4.940 -0.960 0.086 1.00 0.00 C -ATOM 358 O PHE A 21 5.818 -1.765 -0.154 1.00 0.00 O -ATOM 359 CB PHE A 21 2.764 -0.958 1.308 1.00 0.00 C -ATOM 360 CG PHE A 21 2.450 -2.242 0.596 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.462 -3.427 1.317 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.181 -2.244 -0.782 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.193 -4.640 0.675 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.914 -3.458 -1.427 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.916 -4.656 -0.698 1.00 0.00 C -ATOM 366 H PHE A 21 3.751 1.141 2.113 1.00 0.00 H -ATOM 367 HA PHE A 21 4.643 -1.609 2.143 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.302 -0.957 2.277 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.386 -0.129 0.737 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.690 -3.400 2.373 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.185 -1.307 -1.347 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.195 -5.562 1.238 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.711 -3.472 -2.485 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.709 -5.592 -1.197 1.00 0.00 H -ATOM 375 N ILE A 22 4.466 -0.149 -0.817 1.00 0.00 N -ATOM 376 CA ILE A 22 4.971 -0.144 -2.228 1.00 0.00 C -ATOM 377 C ILE A 22 6.505 -0.134 -2.242 1.00 0.00 C -ATOM 378 O ILE A 22 7.135 -0.676 -3.132 1.00 0.00 O -ATOM 379 CB ILE A 22 4.411 1.152 -2.827 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.872 1.081 -2.856 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.944 1.343 -4.252 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.398 -0.018 -3.806 1.00 0.00 C -ATOM 383 H ILE A 22 3.754 0.466 -0.556 1.00 0.00 H -ATOM 384 HA ILE A 22 4.582 -0.995 -2.774 1.00 0.00 H -ATOM 385 HB ILE A 22 4.720 1.989 -2.217 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.498 0.861 -1.868 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.476 2.029 -3.185 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.580 2.276 -4.651 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.597 0.525 -4.868 1.00 0.00 H -ATOM 390 HG23 ILE A 22 6.023 1.350 -4.235 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.882 -0.775 -3.241 1.00 0.00 H -ATOM 392 HD12 ILE A 22 3.246 -0.457 -4.305 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.730 0.409 -4.536 1.00 0.00 H -ATOM 394 N GLU A 23 7.097 0.476 -1.250 1.00 0.00 N -ATOM 395 CA GLU A 23 8.590 0.525 -1.180 1.00 0.00 C -ATOM 396 C GLU A 23 9.140 -0.894 -1.032 1.00 0.00 C -ATOM 397 O GLU A 23 10.146 -1.245 -1.619 1.00 0.00 O -ATOM 398 CB GLU A 23 8.917 1.372 0.059 1.00 0.00 C -ATOM 399 CG GLU A 23 9.876 2.503 -0.324 1.00 0.00 C -ATOM 400 CD GLU A 23 11.218 1.909 -0.760 1.00 0.00 C -ATOM 401 OE1 GLU A 23 11.645 0.947 -0.143 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.795 2.426 -1.702 1.00 0.00 O -ATOM 403 H GLU A 23 6.552 0.895 -0.547 1.00 0.00 H -ATOM 404 HA GLU A 23 8.991 0.988 -2.068 1.00 0.00 H -ATOM 405 HB2 GLU A 23 8.006 1.795 0.457 1.00 0.00 H -ATOM 406 HB3 GLU A 23 9.381 0.751 0.810 1.00 0.00 H -ATOM 407 HG2 GLU A 23 9.453 3.073 -1.139 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.031 3.148 0.526 1.00 0.00 H -ATOM 409 N LYS A 24 8.472 -1.713 -0.261 1.00 0.00 N -ATOM 410 CA LYS A 24 8.933 -3.120 -0.077 1.00 0.00 C -ATOM 411 C LYS A 24 8.461 -3.962 -1.265 1.00 0.00 C -ATOM 412 O LYS A 24 9.232 -4.675 -1.878 1.00 0.00 O -ATOM 413 CB LYS A 24 8.274 -3.594 1.225 1.00 0.00 C -ATOM 414 CG LYS A 24 9.322 -4.265 2.119 1.00 0.00 C -ATOM 415 CD LYS A 24 9.883 -3.240 3.107 1.00 0.00 C -ATOM 416 CE LYS A 24 10.189 -3.928 4.439 1.00 0.00 C -ATOM 417 NZ LYS A 24 11.148 -3.020 5.128 1.00 0.00 N -ATOM 418 H LYS A 24 7.658 -1.404 0.190 1.00 0.00 H -ATOM 419 HA LYS A 24 10.008 -3.156 0.010 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.850 -2.745 1.742 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.493 -4.302 0.997 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.863 -5.077 2.662 1.00 0.00 H -ATOM 423 HG3 LYS A 24 10.125 -4.649 1.507 1.00 0.00 H -ATOM 424 HD2 LYS A 24 10.791 -2.812 2.705 1.00 0.00 H -ATOM 425 HD3 LYS A 24 9.156 -2.458 3.267 1.00 0.00 H -ATOM 426 HE2 LYS A 24 9.284 -4.035 5.021 1.00 0.00 H -ATOM 427 HE3 LYS A 24 10.647 -4.890 4.270 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 10.654 -2.156 5.429 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 11.917 -2.767 4.476 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 11.543 -3.502 5.961 1.00 0.00 H -ATOM 431 N PHE A 25 7.196 -3.874 -1.592 1.00 0.00 N -ATOM 432 CA PHE A 25 6.656 -4.650 -2.735 1.00 0.00 C -ATOM 433 C PHE A 25 6.814 -3.851 -4.033 1.00 0.00 C -ATOM 434 O PHE A 25 5.851 -3.561 -4.718 1.00 0.00 O -ATOM 435 CB PHE A 25 5.179 -4.866 -2.410 1.00 0.00 C -ATOM 436 CG PHE A 25 4.575 -5.800 -3.429 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.122 -7.072 -3.622 1.00 0.00 C -ATOM 438 CD2 PHE A 25 3.468 -5.391 -4.179 1.00 0.00 C -ATOM 439 CE1 PHE A 25 4.560 -7.939 -4.568 1.00 0.00 C -ATOM 440 CE2 PHE A 25 2.906 -6.256 -5.126 1.00 0.00 C -ATOM 441 CZ PHE A 25 3.452 -7.530 -5.321 1.00 0.00 C -ATOM 442 H PHE A 25 6.603 -3.294 -1.087 1.00 0.00 H -ATOM 443 HA PHE A 25 7.159 -5.591 -2.805 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.086 -5.299 -1.424 1.00 0.00 H -ATOM 445 HB3 PHE A 25 4.660 -3.920 -2.439 1.00 0.00 H -ATOM 446 HD1 PHE A 25 5.976 -7.385 -3.041 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.050 -4.408 -4.028 1.00 0.00 H -ATOM 448 HE1 PHE A 25 4.982 -8.922 -4.718 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.052 -5.940 -5.706 1.00 0.00 H -ATOM 450 HZ PHE A 25 3.018 -8.199 -6.050 1.00 0.00 H -ATOM 451 N LYS A 26 8.026 -3.492 -4.371 1.00 0.00 N -ATOM 452 CA LYS A 26 8.267 -2.705 -5.623 1.00 0.00 C -ATOM 453 C LYS A 26 7.718 -3.434 -6.854 1.00 0.00 C -ATOM 454 O LYS A 26 7.483 -2.833 -7.885 1.00 0.00 O -ATOM 455 CB LYS A 26 9.786 -2.561 -5.724 1.00 0.00 C -ATOM 456 CG LYS A 26 10.262 -1.476 -4.758 1.00 0.00 C -ATOM 457 CD LYS A 26 10.087 -0.102 -5.408 1.00 0.00 C -ATOM 458 CE LYS A 26 11.333 0.236 -6.229 1.00 0.00 C -ATOM 459 NZ LYS A 26 10.818 0.928 -7.443 1.00 0.00 N -ATOM 460 H LYS A 26 8.782 -3.737 -3.796 1.00 0.00 H -ATOM 461 HA LYS A 26 7.813 -1.738 -5.540 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.253 -3.501 -5.472 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.054 -2.284 -6.734 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.680 -1.523 -3.848 1.00 0.00 H -ATOM 465 HG3 LYS A 26 11.305 -1.632 -4.526 1.00 0.00 H -ATOM 466 HD2 LYS A 26 9.223 -0.119 -6.056 1.00 0.00 H -ATOM 467 HD3 LYS A 26 9.950 0.645 -4.641 1.00 0.00 H -ATOM 468 HE2 LYS A 26 11.985 0.892 -5.667 1.00 0.00 H -ATOM 469 HE3 LYS A 26 11.856 -0.664 -6.510 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.614 1.165 -8.071 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 10.324 1.798 -7.164 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 10.156 0.303 -7.945 1.00 0.00 H -ATOM 473 N GLY A 27 7.515 -4.721 -6.755 1.00 0.00 N -ATOM 474 CA GLY A 27 6.984 -5.503 -7.916 1.00 0.00 C -ATOM 475 C GLY A 27 5.660 -4.897 -8.397 1.00 0.00 C -ATOM 476 O GLY A 27 5.615 -4.204 -9.396 1.00 0.00 O -ATOM 477 H GLY A 27 7.718 -5.175 -5.917 1.00 0.00 H -ATOM 478 HA2 GLY A 27 7.704 -5.480 -8.721 1.00 0.00 H -ATOM 479 HA3 GLY A 27 6.816 -6.525 -7.612 1.00 0.00 H -ATOM 480 N ARG A 28 4.586 -5.155 -7.694 1.00 0.00 N -ATOM 481 CA ARG A 28 3.263 -4.597 -8.105 1.00 0.00 C -ATOM 482 C ARG A 28 2.651 -3.785 -6.962 1.00 0.00 C -ATOM 483 O ARG A 28 1.452 -3.566 -6.993 1.00 0.00 O -ATOM 484 CB ARG A 28 2.399 -5.818 -8.419 1.00 0.00 C -ATOM 485 CG ARG A 28 2.898 -6.480 -9.706 1.00 0.00 C -ATOM 486 CD ARG A 28 2.248 -5.807 -10.920 1.00 0.00 C -ATOM 487 NE ARG A 28 1.165 -6.738 -11.346 1.00 0.00 N -ATOM 488 CZ ARG A 28 0.195 -6.306 -12.105 1.00 0.00 C -ATOM 489 NH1 ARG A 28 0.355 -6.253 -13.400 1.00 0.00 N -ATOM 490 NH2 ARG A 28 -0.934 -5.928 -11.571 1.00 0.00 N -ATOM 491 OXT ARG A 28 3.393 -3.395 -6.075 1.00 0.00 O -ATOM 492 H ARG A 28 4.651 -5.717 -6.893 1.00 0.00 H -ATOM 493 HA ARG A 28 3.370 -3.985 -8.987 1.00 0.00 H -ATOM 494 HB2 ARG A 28 2.462 -6.523 -7.603 1.00 0.00 H -ATOM 495 HB3 ARG A 28 1.373 -5.510 -8.550 1.00 0.00 H -ATOM 496 HG2 ARG A 28 3.972 -6.378 -9.770 1.00 0.00 H -ATOM 497 HG3 ARG A 28 2.637 -7.528 -9.696 1.00 0.00 H -ATOM 498 HD2 ARG A 28 1.835 -4.847 -10.641 1.00 0.00 H -ATOM 499 HD3 ARG A 28 2.968 -5.691 -11.715 1.00 0.00 H -ATOM 500 HE ARG A 28 1.180 -7.674 -11.057 1.00 0.00 H -ATOM 501 HH11 ARG A 28 1.219 -6.542 -13.810 1.00 0.00 H -ATOM 502 HH12 ARG A 28 -0.389 -5.923 -13.982 1.00 0.00 H -ATOM 503 HH21 ARG A 28 -1.056 -5.970 -10.580 1.00 0.00 H -ATOM 504 HH22 ARG A 28 -1.677 -5.597 -12.154 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 8 -ATOM 1 N GLU A 1 -11.793 11.987 0.418 1.00 0.00 N -ATOM 2 CA GLU A 1 -12.219 10.569 0.591 1.00 0.00 C -ATOM 3 C GLU A 1 -11.000 9.674 0.822 1.00 0.00 C -ATOM 4 O GLU A 1 -9.888 10.148 0.955 1.00 0.00 O -ATOM 5 CB GLU A 1 -12.913 10.199 -0.720 1.00 0.00 C -ATOM 6 CG GLU A 1 -14.341 10.750 -0.717 1.00 0.00 C -ATOM 7 CD GLU A 1 -15.272 9.766 -1.431 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -15.352 9.833 -2.646 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.887 8.964 -0.748 1.00 0.00 O -ATOM 10 H1 GLU A 1 -11.398 12.342 1.311 1.00 0.00 H -ATOM 11 H2 GLU A 1 -12.614 12.564 0.145 1.00 0.00 H -ATOM 12 H3 GLU A 1 -11.068 12.042 -0.325 1.00 0.00 H -ATOM 13 HA GLU A 1 -12.913 10.481 1.413 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -12.364 10.623 -1.549 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -12.944 9.124 -0.821 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -14.674 10.885 0.302 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -14.362 11.699 -1.232 1.00 0.00 H -ATOM 18 N GLN A 2 -11.204 8.382 0.870 1.00 0.00 N -ATOM 19 CA GLN A 2 -10.062 7.445 1.092 1.00 0.00 C -ATOM 20 C GLN A 2 -10.118 6.294 0.082 1.00 0.00 C -ATOM 21 O GLN A 2 -10.922 5.391 0.201 1.00 0.00 O -ATOM 22 CB GLN A 2 -10.251 6.923 2.520 1.00 0.00 C -ATOM 23 CG GLN A 2 -9.148 5.908 2.864 1.00 0.00 C -ATOM 24 CD GLN A 2 -9.771 4.534 3.125 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -9.754 3.672 2.268 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -10.322 4.290 4.282 1.00 0.00 N -ATOM 27 H GLN A 2 -12.111 8.027 0.760 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.123 7.971 1.014 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -10.203 7.753 3.211 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -11.218 6.448 2.602 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -8.448 5.835 2.041 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -8.624 6.235 3.750 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -10.335 4.984 4.974 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -10.722 3.414 4.459 1.00 0.00 H -ATOM 35 N TYR A 3 -9.264 6.324 -0.911 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.249 5.237 -1.942 1.00 0.00 C -ATOM 37 C TYR A 3 -9.207 3.848 -1.302 1.00 0.00 C -ATOM 38 O TYR A 3 -9.027 3.708 -0.107 1.00 0.00 O -ATOM 39 CB TYR A 3 -7.994 5.472 -2.793 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.789 5.724 -1.919 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.299 4.729 -1.060 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.174 6.976 -1.964 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.193 4.998 -0.255 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.070 7.240 -1.161 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.576 6.254 -0.305 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.481 6.518 0.488 1.00 0.00 O -ATOM 47 H TYR A 3 -8.630 7.067 -0.985 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.112 5.322 -2.566 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -7.812 4.610 -3.413 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.158 6.336 -3.418 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.767 3.755 -1.018 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.556 7.739 -2.625 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.819 4.240 0.407 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.600 8.207 -1.200 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.881 5.772 0.422 1.00 0.00 H -ATOM 56 N THR A 4 -9.372 2.827 -2.099 1.00 0.00 N -ATOM 57 CA THR A 4 -9.347 1.436 -1.565 1.00 0.00 C -ATOM 58 C THR A 4 -8.267 0.623 -2.281 1.00 0.00 C -ATOM 59 O THR A 4 -8.474 -0.522 -2.634 1.00 0.00 O -ATOM 60 CB THR A 4 -10.737 0.878 -1.874 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.718 1.854 -1.551 1.00 0.00 O -ATOM 62 CG2 THR A 4 -10.981 -0.386 -1.048 1.00 0.00 C -ATOM 63 H THR A 4 -9.515 2.976 -3.057 1.00 0.00 H -ATOM 64 HA THR A 4 -9.178 1.441 -0.500 1.00 0.00 H -ATOM 65 HB THR A 4 -10.803 0.635 -2.924 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.482 1.703 -2.111 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.188 -0.112 -0.024 1.00 0.00 H -ATOM 68 HG22 THR A 4 -10.102 -1.013 -1.082 1.00 0.00 H -ATOM 69 HG23 THR A 4 -11.824 -0.925 -1.454 1.00 0.00 H -ATOM 70 N ALA A 5 -7.113 1.211 -2.502 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.007 0.482 -3.203 1.00 0.00 C -ATOM 72 C ALA A 5 -5.737 -0.861 -2.538 1.00 0.00 C -ATOM 73 O ALA A 5 -5.413 -0.919 -1.374 1.00 0.00 O -ATOM 74 CB ALA A 5 -4.773 1.362 -3.057 1.00 0.00 C -ATOM 75 H ALA A 5 -6.976 2.134 -2.213 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.245 0.353 -4.243 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.067 2.399 -3.033 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.115 1.188 -3.894 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.262 1.104 -2.136 1.00 0.00 H -ATOM 80 N LYS A 6 -5.854 -1.929 -3.276 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.598 -3.280 -2.688 1.00 0.00 C -ATOM 82 C LYS A 6 -4.352 -3.910 -3.307 1.00 0.00 C -ATOM 83 O LYS A 6 -4.079 -3.757 -4.482 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.841 -4.120 -2.998 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.131 -4.101 -4.500 1.00 0.00 C -ATOM 86 CD LYS A 6 -8.043 -5.279 -4.866 1.00 0.00 C -ATOM 87 CE LYS A 6 -7.206 -6.423 -5.454 1.00 0.00 C -ATOM 88 NZ LYS A 6 -7.870 -6.770 -6.742 1.00 0.00 N -ATOM 89 H LYS A 6 -6.101 -1.839 -4.218 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.474 -3.199 -1.624 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.667 -5.138 -2.679 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.687 -3.717 -2.464 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.620 -3.173 -4.755 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.204 -4.180 -5.046 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -8.555 -5.627 -3.981 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.770 -4.955 -5.596 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -6.190 -6.096 -5.630 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -7.218 -7.275 -4.792 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -8.825 -7.132 -6.553 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -7.313 -7.498 -7.234 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -7.935 -5.921 -7.338 1.00 0.00 H -ATOM 102 N TYR A 7 -3.594 -4.615 -2.509 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.352 -5.265 -3.017 1.00 0.00 C -ATOM 104 C TYR A 7 -2.309 -6.724 -2.577 1.00 0.00 C -ATOM 105 O TYR A 7 -2.157 -7.028 -1.411 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.213 -4.484 -2.382 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.202 -3.104 -2.968 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.101 -2.144 -2.504 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.289 -2.789 -3.969 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.092 -0.856 -3.047 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.271 -1.505 -4.516 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.175 -0.534 -4.057 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.159 0.735 -4.598 1.00 0.00 O -ATOM 114 H TYR A 7 -3.844 -4.713 -1.567 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.294 -5.184 -4.092 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.361 -4.428 -1.316 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.275 -4.972 -2.595 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.807 -2.401 -1.731 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.397 -3.543 -4.324 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.788 -0.112 -2.681 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.449 -1.260 -5.281 1.00 0.00 H -ATOM 122 HH TYR A 7 -2.065 0.985 -4.793 1.00 0.00 H -ATOM 123 N LYS A 8 -2.446 -7.629 -3.509 1.00 0.00 N -ATOM 124 CA LYS A 8 -2.423 -9.092 -3.173 1.00 0.00 C -ATOM 125 C LYS A 8 -3.407 -9.414 -2.034 1.00 0.00 C -ATOM 126 O LYS A 8 -3.260 -10.404 -1.343 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.985 -9.382 -2.734 1.00 0.00 C -ATOM 128 CG LYS A 8 -0.569 -10.770 -3.226 1.00 0.00 C -ATOM 129 CD LYS A 8 -0.209 -10.699 -4.712 1.00 0.00 C -ATOM 130 CE LYS A 8 -0.161 -12.114 -5.294 1.00 0.00 C -ATOM 131 NZ LYS A 8 -1.533 -12.359 -5.817 1.00 0.00 N -ATOM 132 H LYS A 8 -2.567 -7.344 -4.440 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.662 -9.677 -4.046 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.324 -8.637 -3.152 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.925 -9.353 -1.655 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.289 -11.109 -2.663 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -1.386 -11.461 -3.089 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.955 -10.118 -5.236 1.00 0.00 H -ATOM 139 HD3 LYS A 8 0.758 -10.233 -4.826 1.00 0.00 H -ATOM 140 HE2 LYS A 8 0.565 -12.165 -6.095 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.075 -12.830 -4.523 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 -2.220 -12.279 -5.040 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 -1.582 -13.316 -6.225 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 -1.757 -11.657 -6.549 1.00 0.00 H -ATOM 145 N GLY A 9 -4.413 -8.591 -1.842 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.407 -8.856 -0.759 1.00 0.00 C -ATOM 147 C GLY A 9 -5.175 -7.915 0.429 1.00 0.00 C -ATOM 148 O GLY A 9 -5.397 -8.282 1.567 1.00 0.00 O -ATOM 149 H GLY A 9 -4.519 -7.805 -2.417 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.404 -8.704 -1.146 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.307 -9.878 -0.425 1.00 0.00 H -ATOM 152 N ARG A 10 -4.737 -6.704 0.178 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.501 -5.742 1.301 1.00 0.00 C -ATOM 154 C ARG A 10 -4.881 -4.322 0.870 1.00 0.00 C -ATOM 155 O ARG A 10 -4.171 -3.690 0.111 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.000 -5.820 1.588 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.627 -7.247 1.997 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.187 -7.268 2.510 1.00 0.00 C -ATOM 159 NE ARG A 10 -0.907 -8.697 2.813 1.00 0.00 N -ATOM 160 CZ ARG A 10 0.309 -9.163 2.714 1.00 0.00 C -ATOM 161 NH1 ARG A 10 1.039 -8.868 1.673 1.00 0.00 N -ATOM 162 NH2 ARG A 10 0.795 -9.923 3.658 1.00 0.00 N -ATOM 163 H ARG A 10 -4.567 -6.426 -0.746 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.061 -6.035 2.174 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.449 -5.542 0.701 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.754 -5.142 2.392 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.294 -7.584 2.779 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.713 -7.901 1.143 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.514 -6.904 1.750 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.100 -6.681 3.408 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.635 -9.286 3.090 1.00 0.00 H -ATOM 172 HH11 ARG A 10 0.668 -8.288 0.950 1.00 0.00 H -ATOM 173 HH12 ARG A 10 1.971 -9.225 1.600 1.00 0.00 H -ATOM 174 HH21 ARG A 10 0.236 -10.149 4.455 1.00 0.00 H -ATOM 175 HH22 ARG A 10 1.727 -10.279 3.582 1.00 0.00 H -ATOM 176 N THR A 11 -5.994 -3.816 1.348 1.00 0.00 N -ATOM 177 CA THR A 11 -6.412 -2.435 0.960 1.00 0.00 C -ATOM 178 C THR A 11 -5.549 -1.392 1.680 1.00 0.00 C -ATOM 179 O THR A 11 -4.905 -1.685 2.670 1.00 0.00 O -ATOM 180 CB THR A 11 -7.873 -2.297 1.395 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.649 -3.309 0.769 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.396 -0.915 0.981 1.00 0.00 C -ATOM 183 H THR A 11 -6.551 -4.343 1.959 1.00 0.00 H -ATOM 184 HA THR A 11 -6.342 -2.318 -0.105 1.00 0.00 H -ATOM 185 HB THR A 11 -7.942 -2.398 2.466 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.681 -4.065 1.359 1.00 0.00 H -ATOM 187 HG21 THR A 11 -8.159 -0.194 1.750 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.466 -0.960 0.846 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.927 -0.613 0.053 1.00 0.00 H -ATOM 190 N PHE A 12 -5.547 -0.174 1.195 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.746 0.900 1.854 1.00 0.00 C -ATOM 192 C PHE A 12 -5.609 2.146 2.056 1.00 0.00 C -ATOM 193 O PHE A 12 -6.212 2.653 1.129 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.585 1.189 0.899 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.539 0.128 1.081 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.645 -1.052 0.352 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.473 0.317 1.973 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.687 -2.060 0.505 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.512 -0.690 2.129 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.620 -1.880 1.396 1.00 0.00 C -ATOM 201 H PHE A 12 -6.083 0.035 0.403 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.364 0.553 2.801 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.938 1.170 -0.128 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.162 2.157 1.123 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.467 -1.176 -0.340 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.396 1.235 2.544 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.772 -2.978 -0.056 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.315 -0.551 2.810 1.00 0.00 H -ATOM 209 HZ PHE A 12 0.121 -2.657 1.515 1.00 0.00 H -ATOM 210 N ARG A 13 -5.675 2.636 3.267 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.499 3.848 3.551 1.00 0.00 C -ATOM 212 C ARG A 13 -5.599 4.996 4.015 1.00 0.00 C -ATOM 213 O ARG A 13 -5.952 5.757 4.895 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.464 3.428 4.667 1.00 0.00 C -ATOM 215 CG ARG A 13 -6.681 2.936 5.892 1.00 0.00 C -ATOM 216 CD ARG A 13 -7.399 3.380 7.169 1.00 0.00 C -ATOM 217 NE ARG A 13 -6.339 3.424 8.212 1.00 0.00 N -ATOM 218 CZ ARG A 13 -6.528 2.833 9.360 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -7.398 3.313 10.205 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -5.845 1.763 9.664 1.00 0.00 N -ATOM 221 H ARG A 13 -5.181 2.202 3.994 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.055 4.138 2.674 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.074 4.275 4.948 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.100 2.633 4.308 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -6.620 1.857 5.869 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -5.685 3.353 5.878 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -7.834 4.359 7.032 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -8.158 2.663 7.443 1.00 0.00 H -ATOM 229 HE ARG A 13 -5.502 3.899 8.037 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -7.919 4.134 9.973 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -7.543 2.860 11.084 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -5.177 1.396 9.017 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -5.991 1.310 10.543 1.00 0.00 H -ATOM 234 N ASN A 14 -4.435 5.121 3.426 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.492 6.216 3.822 1.00 0.00 C -ATOM 236 C ASN A 14 -2.268 6.210 2.902 1.00 0.00 C -ATOM 237 O ASN A 14 -1.661 5.181 2.669 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.075 5.904 5.263 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.614 7.189 5.952 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.421 7.955 6.441 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.339 7.462 6.011 1.00 0.00 N -ATOM 242 H ASN A 14 -4.181 4.490 2.716 1.00 0.00 H -ATOM 243 HA ASN A 14 -3.988 7.173 3.780 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.917 5.490 5.799 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.266 5.191 5.258 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -0.687 6.845 5.616 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.033 8.282 6.451 1.00 0.00 H -ATOM 248 N GLU A 15 -1.910 7.351 2.373 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.729 7.424 1.455 1.00 0.00 C -ATOM 250 C GLU A 15 0.540 6.950 2.170 1.00 0.00 C -ATOM 251 O GLU A 15 1.305 6.168 1.639 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.609 8.901 1.073 1.00 0.00 C -ATOM 253 CG GLU A 15 0.071 9.025 -0.291 1.00 0.00 C -ATOM 254 CD GLU A 15 0.553 10.463 -0.490 1.00 0.00 C -ATOM 255 OE1 GLU A 15 1.500 10.847 0.175 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -0.036 11.155 -1.304 1.00 0.00 O -ATOM 257 H GLU A 15 -2.423 8.162 2.576 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.905 6.831 0.572 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.596 9.340 1.025 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.021 9.418 1.816 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.916 8.352 -0.334 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.632 8.771 -1.069 1.00 0.00 H -ATOM 263 N LYS A 16 0.772 7.425 3.369 1.00 0.00 N -ATOM 264 CA LYS A 16 1.996 7.015 4.130 1.00 0.00 C -ATOM 265 C LYS A 16 2.105 5.492 4.215 1.00 0.00 C -ATOM 266 O LYS A 16 3.164 4.918 4.044 1.00 0.00 O -ATOM 267 CB LYS A 16 1.818 7.614 5.528 1.00 0.00 C -ATOM 268 CG LYS A 16 3.163 8.148 6.046 1.00 0.00 C -ATOM 269 CD LYS A 16 3.100 9.672 6.190 1.00 0.00 C -ATOM 270 CE LYS A 16 4.311 10.165 6.986 1.00 0.00 C -ATOM 271 NZ LYS A 16 5.248 10.709 5.964 1.00 0.00 N -ATOM 272 H LYS A 16 0.144 8.057 3.767 1.00 0.00 H -ATOM 273 HA LYS A 16 2.864 7.423 3.668 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.099 8.420 5.483 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.455 6.850 6.199 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.377 7.706 7.009 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.951 7.888 5.352 1.00 0.00 H -ATOM 278 HD2 LYS A 16 3.103 10.126 5.209 1.00 0.00 H -ATOM 279 HD3 LYS A 16 2.194 9.946 6.709 1.00 0.00 H -ATOM 280 HE2 LYS A 16 4.014 10.942 7.677 1.00 0.00 H -ATOM 281 HE3 LYS A 16 4.776 9.348 7.516 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 6.100 11.076 6.434 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 4.781 11.476 5.440 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 5.519 9.952 5.304 1.00 0.00 H -ATOM 285 N GLU A 17 1.011 4.851 4.484 1.00 0.00 N -ATOM 286 CA GLU A 17 1.005 3.359 4.597 1.00 0.00 C -ATOM 287 C GLU A 17 1.424 2.714 3.276 1.00 0.00 C -ATOM 288 O GLU A 17 2.476 2.112 3.169 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.448 2.978 4.907 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.643 2.791 6.410 1.00 0.00 C -ATOM 291 CD GLU A 17 0.238 1.643 6.911 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.298 0.629 6.235 1.00 0.00 O -ATOM 293 OE2 GLU A 17 0.835 1.797 7.963 1.00 0.00 O -ATOM 294 H GLU A 17 0.188 5.359 4.618 1.00 0.00 H -ATOM 295 HA GLU A 17 1.651 3.036 5.398 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.102 3.761 4.556 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.693 2.057 4.399 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.378 3.703 6.923 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.678 2.555 6.601 1.00 0.00 H -ATOM 300 N LEU A 18 0.580 2.806 2.282 1.00 0.00 N -ATOM 301 CA LEU A 18 0.881 2.173 0.966 1.00 0.00 C -ATOM 302 C LEU A 18 2.238 2.621 0.416 1.00 0.00 C -ATOM 303 O LEU A 18 3.014 1.809 -0.036 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.259 2.602 0.033 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.058 1.999 -1.364 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.012 0.469 -1.285 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.222 2.419 -2.265 1.00 0.00 C -ATOM 308 H LEU A 18 -0.270 3.270 2.413 1.00 0.00 H -ATOM 309 HA LEU A 18 0.869 1.104 1.079 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.200 2.261 0.439 1.00 0.00 H -ATOM 311 HB3 LEU A 18 -0.272 3.679 -0.041 1.00 0.00 H -ATOM 312 HG LEU A 18 0.868 2.365 -1.781 1.00 0.00 H -ATOM 313 HD11 LEU A 18 0.680 0.163 -0.519 1.00 0.00 H -ATOM 314 HD12 LEU A 18 0.315 0.072 -2.230 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -0.994 0.090 -1.052 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -1.993 1.664 -2.232 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -0.870 2.529 -3.280 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.624 3.359 -1.919 1.00 0.00 H -ATOM 319 N ARG A 19 2.542 3.897 0.441 1.00 0.00 N -ATOM 320 CA ARG A 19 3.868 4.350 -0.096 1.00 0.00 C -ATOM 321 C ARG A 19 4.997 3.576 0.598 1.00 0.00 C -ATOM 322 O ARG A 19 6.002 3.248 -0.005 1.00 0.00 O -ATOM 323 CB ARG A 19 3.953 5.840 0.218 1.00 0.00 C -ATOM 324 CG ARG A 19 3.093 6.622 -0.777 1.00 0.00 C -ATOM 325 CD ARG A 19 3.704 8.007 -1.001 1.00 0.00 C -ATOM 326 NE ARG A 19 4.900 7.765 -1.851 1.00 0.00 N -ATOM 327 CZ ARG A 19 4.964 8.280 -3.048 1.00 0.00 C -ATOM 328 NH1 ARG A 19 5.085 9.570 -3.197 1.00 0.00 N -ATOM 329 NH2 ARG A 19 4.907 7.503 -4.096 1.00 0.00 N -ATOM 330 H ARG A 19 1.907 4.549 0.808 1.00 0.00 H -ATOM 331 HA ARG A 19 3.906 4.187 -1.167 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.598 6.019 1.221 1.00 0.00 H -ATOM 333 HB3 ARG A 19 4.978 6.165 0.134 1.00 0.00 H -ATOM 334 HG2 ARG A 19 3.055 6.089 -1.716 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.094 6.730 -0.384 1.00 0.00 H -ATOM 336 HD2 ARG A 19 2.999 8.649 -1.510 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.000 8.443 -0.059 1.00 0.00 H -ATOM 338 HE ARG A 19 5.641 7.220 -1.512 1.00 0.00 H -ATOM 339 HH11 ARG A 19 5.130 10.164 -2.394 1.00 0.00 H -ATOM 340 HH12 ARG A 19 5.132 9.965 -4.114 1.00 0.00 H -ATOM 341 HH21 ARG A 19 4.815 6.513 -3.980 1.00 0.00 H -ATOM 342 HH22 ARG A 19 4.955 7.896 -5.013 1.00 0.00 H -ATOM 343 N ASP A 20 4.807 3.244 1.853 1.00 0.00 N -ATOM 344 CA ASP A 20 5.835 2.445 2.582 1.00 0.00 C -ATOM 345 C ASP A 20 5.757 1.008 2.061 1.00 0.00 C -ATOM 346 O ASP A 20 6.757 0.356 1.831 1.00 0.00 O -ATOM 347 CB ASP A 20 5.434 2.513 4.058 1.00 0.00 C -ATOM 348 CG ASP A 20 6.275 3.576 4.768 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.362 3.245 5.211 1.00 0.00 O -ATOM 350 OD2 ASP A 20 5.815 4.703 4.859 1.00 0.00 O -ATOM 351 H ASP A 20 3.972 3.493 2.301 1.00 0.00 H -ATOM 352 HA ASP A 20 6.821 2.857 2.434 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.386 2.770 4.137 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.605 1.553 4.522 1.00 0.00 H -ATOM 355 N PHE A 21 4.557 0.539 1.842 1.00 0.00 N -ATOM 356 CA PHE A 21 4.356 -0.837 1.293 1.00 0.00 C -ATOM 357 C PHE A 21 4.956 -0.908 -0.115 1.00 0.00 C -ATOM 358 O PHE A 21 5.859 -1.669 -0.402 1.00 0.00 O -ATOM 359 CB PHE A 21 2.832 -0.998 1.197 1.00 0.00 C -ATOM 360 CG PHE A 21 2.526 -2.278 0.471 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.623 -3.478 1.160 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.176 -2.257 -0.888 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.360 -4.686 0.503 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.912 -3.465 -1.548 1.00 0.00 C -ATOM 365 CZ PHE A 21 2.002 -4.679 -0.851 1.00 0.00 C -ATOM 366 H PHE A 21 3.780 1.112 2.016 1.00 0.00 H -ATOM 367 HA PHE A 21 4.768 -1.599 1.942 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.413 -1.032 2.183 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.404 -0.172 0.660 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.914 -3.468 2.201 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.112 -1.309 -1.428 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.430 -5.620 1.041 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.645 -3.461 -2.592 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.799 -5.610 -1.361 1.00 0.00 H -ATOM 375 N ILE A 22 4.412 -0.103 -0.985 1.00 0.00 N -ATOM 376 CA ILE A 22 4.856 -0.050 -2.414 1.00 0.00 C -ATOM 377 C ILE A 22 6.387 0.026 -2.492 1.00 0.00 C -ATOM 378 O ILE A 22 7.003 -0.460 -3.422 1.00 0.00 O -ATOM 379 CB ILE A 22 4.220 1.238 -2.959 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.684 1.107 -2.926 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.682 1.482 -4.398 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.216 0.005 -3.875 1.00 0.00 C -ATOM 383 H ILE A 22 3.687 0.478 -0.683 1.00 0.00 H -ATOM 384 HA ILE A 22 4.478 -0.905 -2.964 1.00 0.00 H -ATOM 385 HB ILE A 22 4.522 2.071 -2.342 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.360 0.860 -1.928 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.240 2.044 -3.225 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.271 2.412 -4.756 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.336 0.669 -5.019 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.761 1.525 -4.428 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.769 -0.790 -3.302 1.00 0.00 H -ATOM 392 HD12 ILE A 22 3.058 -0.379 -4.429 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.488 0.412 -4.559 1.00 0.00 H -ATOM 394 N GLU A 23 6.991 0.634 -1.507 1.00 0.00 N -ATOM 395 CA GLU A 23 8.480 0.755 -1.492 1.00 0.00 C -ATOM 396 C GLU A 23 9.110 -0.609 -1.201 1.00 0.00 C -ATOM 397 O GLU A 23 9.985 -1.061 -1.915 1.00 0.00 O -ATOM 398 CB GLU A 23 8.796 1.743 -0.368 1.00 0.00 C -ATOM 399 CG GLU A 23 9.003 3.141 -0.956 1.00 0.00 C -ATOM 400 CD GLU A 23 9.051 4.170 0.175 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.092 4.285 0.801 1.00 0.00 O -ATOM 402 OE2 GLU A 23 8.047 4.827 0.395 1.00 0.00 O -ATOM 403 H GLU A 23 6.458 1.012 -0.772 1.00 0.00 H -ATOM 404 HA GLU A 23 8.835 1.139 -2.435 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.974 1.765 0.333 1.00 0.00 H -ATOM 406 HB3 GLU A 23 9.696 1.433 0.143 1.00 0.00 H -ATOM 407 HG2 GLU A 23 9.932 3.166 -1.507 1.00 0.00 H -ATOM 408 HG3 GLU A 23 8.185 3.377 -1.620 1.00 0.00 H -ATOM 409 N LYS A 24 8.664 -1.266 -0.161 1.00 0.00 N -ATOM 410 CA LYS A 24 9.229 -2.608 0.177 1.00 0.00 C -ATOM 411 C LYS A 24 8.763 -3.631 -0.862 1.00 0.00 C -ATOM 412 O LYS A 24 9.560 -4.311 -1.480 1.00 0.00 O -ATOM 413 CB LYS A 24 8.671 -2.951 1.568 1.00 0.00 C -ATOM 414 CG LYS A 24 9.823 -3.126 2.562 1.00 0.00 C -ATOM 415 CD LYS A 24 10.270 -1.755 3.074 1.00 0.00 C -ATOM 416 CE LYS A 24 11.511 -1.918 3.956 1.00 0.00 C -ATOM 417 NZ LYS A 24 12.311 -0.683 3.725 1.00 0.00 N -ATOM 418 H LYS A 24 7.953 -0.880 0.392 1.00 0.00 H -ATOM 419 HA LYS A 24 10.307 -2.566 0.206 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.027 -2.153 1.906 1.00 0.00 H -ATOM 421 HB3 LYS A 24 8.105 -3.869 1.515 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.492 -3.731 3.394 1.00 0.00 H -ATOM 423 HG3 LYS A 24 10.653 -3.613 2.071 1.00 0.00 H -ATOM 424 HD2 LYS A 24 10.505 -1.116 2.235 1.00 0.00 H -ATOM 425 HD3 LYS A 24 9.476 -1.310 3.655 1.00 0.00 H -ATOM 426 HE2 LYS A 24 11.225 -1.995 4.996 1.00 0.00 H -ATOM 427 HE3 LYS A 24 12.076 -2.787 3.655 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 11.710 0.151 3.871 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 12.674 -0.685 2.749 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 13.108 -0.656 4.391 1.00 0.00 H -ATOM 431 N PHE A 25 7.473 -3.738 -1.057 1.00 0.00 N -ATOM 432 CA PHE A 25 6.936 -4.700 -2.049 1.00 0.00 C -ATOM 433 C PHE A 25 6.833 -4.038 -3.427 1.00 0.00 C -ATOM 434 O PHE A 25 5.758 -3.891 -3.977 1.00 0.00 O -ATOM 435 CB PHE A 25 5.550 -5.080 -1.525 1.00 0.00 C -ATOM 436 CG PHE A 25 5.027 -6.264 -2.298 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.754 -7.459 -2.327 1.00 0.00 C -ATOM 438 CD2 PHE A 25 3.814 -6.166 -2.987 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.268 -8.558 -3.044 1.00 0.00 C -ATOM 440 CE2 PHE A 25 3.326 -7.264 -3.706 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.053 -8.461 -3.735 1.00 0.00 C -ATOM 442 H PHE A 25 6.860 -3.182 -0.550 1.00 0.00 H -ATOM 443 HA PHE A 25 7.561 -5.567 -2.090 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.617 -5.334 -0.478 1.00 0.00 H -ATOM 445 HB3 PHE A 25 4.876 -4.244 -1.651 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.692 -7.533 -1.795 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.254 -5.242 -2.964 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.828 -9.481 -3.066 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.389 -7.188 -4.238 1.00 0.00 H -ATOM 450 HZ PHE A 25 3.677 -9.308 -4.288 1.00 0.00 H -ATOM 451 N LYS A 26 7.947 -3.633 -3.984 1.00 0.00 N -ATOM 452 CA LYS A 26 7.927 -2.970 -5.328 1.00 0.00 C -ATOM 453 C LYS A 26 7.268 -3.871 -6.377 1.00 0.00 C -ATOM 454 O LYS A 26 6.799 -3.405 -7.399 1.00 0.00 O -ATOM 455 CB LYS A 26 9.395 -2.726 -5.680 1.00 0.00 C -ATOM 456 CG LYS A 26 9.815 -1.337 -5.189 1.00 0.00 C -ATOM 457 CD LYS A 26 11.287 -1.362 -4.748 1.00 0.00 C -ATOM 458 CE LYS A 26 12.083 -0.313 -5.532 1.00 0.00 C -ATOM 459 NZ LYS A 26 12.309 -0.925 -6.870 1.00 0.00 N -ATOM 460 H LYS A 26 8.798 -3.761 -3.514 1.00 0.00 H -ATOM 461 HA LYS A 26 7.406 -2.036 -5.269 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.007 -3.479 -5.205 1.00 0.00 H -ATOM 463 HB3 LYS A 26 9.522 -2.781 -6.750 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.684 -0.622 -5.988 1.00 0.00 H -ATOM 465 HG3 LYS A 26 9.197 -1.054 -4.350 1.00 0.00 H -ATOM 466 HD2 LYS A 26 11.348 -1.140 -3.693 1.00 0.00 H -ATOM 467 HD3 LYS A 26 11.708 -2.339 -4.933 1.00 0.00 H -ATOM 468 HE2 LYS A 26 11.511 0.600 -5.625 1.00 0.00 H -ATOM 469 HE3 LYS A 26 13.028 -0.118 -5.050 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 12.790 -1.841 -6.756 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 12.900 -0.293 -7.446 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 11.396 -1.070 -7.345 1.00 0.00 H -ATOM 473 N GLY A 27 7.231 -5.150 -6.129 1.00 0.00 N -ATOM 474 CA GLY A 27 6.605 -6.092 -7.104 1.00 0.00 C -ATOM 475 C GLY A 27 7.650 -7.101 -7.582 1.00 0.00 C -ATOM 476 O GLY A 27 7.460 -8.299 -7.477 1.00 0.00 O -ATOM 477 H GLY A 27 7.615 -5.491 -5.300 1.00 0.00 H -ATOM 478 HA2 GLY A 27 5.788 -6.615 -6.626 1.00 0.00 H -ATOM 479 HA3 GLY A 27 6.231 -5.538 -7.952 1.00 0.00 H -ATOM 480 N ARG A 28 8.751 -6.625 -8.103 1.00 0.00 N -ATOM 481 CA ARG A 28 9.818 -7.553 -8.589 1.00 0.00 C -ATOM 482 C ARG A 28 10.430 -8.314 -7.409 1.00 0.00 C -ATOM 483 O ARG A 28 10.468 -7.755 -6.326 1.00 0.00 O -ATOM 484 CB ARG A 28 10.868 -6.653 -9.249 1.00 0.00 C -ATOM 485 CG ARG A 28 10.713 -6.709 -10.771 1.00 0.00 C -ATOM 486 CD ARG A 28 9.487 -5.896 -11.194 1.00 0.00 C -ATOM 487 NE ARG A 28 10.034 -4.591 -11.656 1.00 0.00 N -ATOM 488 CZ ARG A 28 9.420 -3.480 -11.354 1.00 0.00 C -ATOM 489 NH1 ARG A 28 9.301 -3.119 -10.105 1.00 0.00 N -ATOM 490 NH2 ARG A 28 8.925 -2.729 -12.299 1.00 0.00 N -ATOM 491 OXT ARG A 28 10.849 -9.442 -7.610 1.00 0.00 O -ATOM 492 H ARG A 28 8.876 -5.655 -8.173 1.00 0.00 H -ATOM 493 HA ARG A 28 9.415 -8.244 -9.313 1.00 0.00 H -ATOM 494 HB2 ARG A 28 10.732 -5.636 -8.911 1.00 0.00 H -ATOM 495 HB3 ARG A 28 11.855 -6.993 -8.978 1.00 0.00 H -ATOM 496 HG2 ARG A 28 11.597 -6.298 -11.238 1.00 0.00 H -ATOM 497 HG3 ARG A 28 10.586 -7.736 -11.083 1.00 0.00 H -ATOM 498 HD2 ARG A 28 8.966 -6.395 -12.000 1.00 0.00 H -ATOM 499 HD3 ARG A 28 8.826 -5.743 -10.354 1.00 0.00 H -ATOM 500 HE ARG A 28 10.857 -4.566 -12.189 1.00 0.00 H -ATOM 501 HH11 ARG A 28 9.681 -3.694 -9.381 1.00 0.00 H -ATOM 502 HH12 ARG A 28 8.830 -2.268 -9.873 1.00 0.00 H -ATOM 503 HH21 ARG A 28 9.015 -3.004 -13.256 1.00 0.00 H -ATOM 504 HH22 ARG A 28 8.454 -1.878 -12.066 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 9 -ATOM 1 N GLU A 1 -12.987 8.837 5.069 1.00 0.00 N -ATOM 2 CA GLU A 1 -12.408 7.616 4.438 1.00 0.00 C -ATOM 3 C GLU A 1 -11.587 8.004 3.205 1.00 0.00 C -ATOM 4 O GLU A 1 -11.863 8.991 2.551 1.00 0.00 O -ATOM 5 CB GLU A 1 -13.618 6.758 4.040 1.00 0.00 C -ATOM 6 CG GLU A 1 -13.503 5.370 4.678 1.00 0.00 C -ATOM 7 CD GLU A 1 -14.155 4.331 3.765 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -13.642 4.123 2.677 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.156 3.763 4.167 1.00 0.00 O -ATOM 10 H1 GLU A 1 -12.243 9.552 5.190 1.00 0.00 H -ATOM 11 H2 GLU A 1 -13.386 8.590 5.998 1.00 0.00 H -ATOM 12 H3 GLU A 1 -13.738 9.220 4.460 1.00 0.00 H -ATOM 13 HA GLU A 1 -11.792 7.085 5.147 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -14.527 7.234 4.380 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -13.650 6.653 2.966 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -12.460 5.124 4.818 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -14.004 5.371 5.635 1.00 0.00 H -ATOM 18 N GLN A 2 -10.580 7.231 2.887 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.733 7.546 1.698 1.00 0.00 C -ATOM 20 C GLN A 2 -9.924 6.477 0.616 1.00 0.00 C -ATOM 21 O GLN A 2 -10.775 5.616 0.727 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.293 7.537 2.221 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.785 8.976 2.366 1.00 0.00 C -ATOM 24 CD GLN A 2 -8.493 9.659 3.539 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -9.022 9.002 4.414 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -8.525 10.963 3.594 1.00 0.00 N -ATOM 27 H GLN A 2 -10.380 6.442 3.433 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.980 8.521 1.310 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.263 7.047 3.185 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.660 7.003 1.528 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -6.719 8.964 2.547 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.989 9.522 1.457 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -8.098 11.494 2.890 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -8.978 11.411 4.339 1.00 0.00 H -ATOM 35 N TYR A 3 -9.142 6.536 -0.433 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.270 5.535 -1.542 1.00 0.00 C -ATOM 37 C TYR A 3 -9.230 4.094 -1.017 1.00 0.00 C -ATOM 38 O TYR A 3 -8.654 3.810 0.016 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.097 5.806 -2.493 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.799 5.903 -1.731 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.257 4.776 -1.107 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.145 7.134 -1.645 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.059 4.884 -0.399 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.949 7.242 -0.938 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.402 6.117 -0.314 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.218 6.222 0.385 1.00 0.00 O -ATOM 47 H TYR A 3 -8.471 7.247 -0.500 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.185 5.701 -2.065 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.029 5.010 -3.217 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.273 6.741 -3.003 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.762 3.823 -1.172 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.566 8.003 -2.128 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.643 4.018 0.081 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.449 8.192 -0.874 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.577 6.653 -0.182 1.00 0.00 H -ATOM 56 N THR A 4 -9.852 3.186 -1.731 1.00 0.00 N -ATOM 57 CA THR A 4 -9.875 1.756 -1.297 1.00 0.00 C -ATOM 58 C THR A 4 -8.960 0.918 -2.198 1.00 0.00 C -ATOM 59 O THR A 4 -9.373 -0.072 -2.773 1.00 0.00 O -ATOM 60 CB THR A 4 -11.333 1.321 -1.457 1.00 0.00 C -ATOM 61 OG1 THR A 4 -12.186 2.330 -0.934 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.567 0.011 -0.703 1.00 0.00 C -ATOM 63 H THR A 4 -10.312 3.450 -2.556 1.00 0.00 H -ATOM 64 HA THR A 4 -9.573 1.669 -0.266 1.00 0.00 H -ATOM 65 HB THR A 4 -11.552 1.172 -2.504 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.529 2.840 -1.671 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.075 0.055 0.256 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.164 -0.811 -1.277 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.627 -0.136 -0.558 1.00 0.00 H -ATOM 70 N ALA A 5 -7.722 1.317 -2.322 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.757 0.568 -3.182 1.00 0.00 C -ATOM 72 C ALA A 5 -6.623 -0.880 -2.716 1.00 0.00 C -ATOM 73 O ALA A 5 -7.430 -1.387 -1.970 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.411 1.285 -2.997 1.00 0.00 C -ATOM 75 H ALA A 5 -7.427 2.117 -1.853 1.00 0.00 H -ATOM 76 HA ALA A 5 -7.057 0.612 -4.210 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.576 2.259 -2.561 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.928 1.396 -3.955 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.774 0.696 -2.338 1.00 0.00 H -ATOM 80 N LYS A 6 -5.573 -1.524 -3.143 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.282 -2.930 -2.736 1.00 0.00 C -ATOM 82 C LYS A 6 -4.036 -3.391 -3.473 1.00 0.00 C -ATOM 83 O LYS A 6 -3.723 -2.912 -4.547 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.485 -3.794 -3.112 1.00 0.00 C -ATOM 85 CG LYS A 6 -6.912 -4.638 -1.908 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.559 -5.937 -2.396 1.00 0.00 C -ATOM 87 CE LYS A 6 -8.318 -6.594 -1.242 1.00 0.00 C -ATOM 88 NZ LYS A 6 -9.300 -7.504 -1.895 1.00 0.00 N -ATOM 89 H LYS A 6 -4.942 -1.061 -3.730 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.108 -2.964 -1.674 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -7.300 -3.160 -3.410 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -6.209 -4.448 -3.920 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -6.046 -4.871 -1.306 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -7.624 -4.085 -1.315 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -8.244 -5.717 -3.201 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -6.792 -6.610 -2.748 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -7.638 -7.157 -0.618 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -8.837 -5.849 -0.659 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -9.903 -7.943 -1.168 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -8.792 -8.246 -2.419 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -9.892 -6.961 -2.555 1.00 0.00 H -ATOM 102 N TYR A 7 -3.300 -4.279 -2.880 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.029 -4.747 -3.508 1.00 0.00 C -ATOM 104 C TYR A 7 -1.831 -6.245 -3.264 1.00 0.00 C -ATOM 105 O TYR A 7 -1.464 -6.984 -4.160 1.00 0.00 O -ATOM 106 CB TYR A 7 -0.930 -3.923 -2.814 1.00 0.00 C -ATOM 107 CG TYR A 7 -0.841 -2.568 -3.450 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -1.776 -1.592 -3.117 1.00 0.00 C -ATOM 109 CD2 TYR A 7 0.174 -2.290 -4.361 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -1.715 -0.335 -3.696 1.00 0.00 C -ATOM 111 CE2 TYR A 7 0.250 -1.026 -4.949 1.00 0.00 C -ATOM 112 CZ TYR A 7 -0.700 -0.041 -4.621 1.00 0.00 C -ATOM 113 OH TYR A 7 -0.630 1.209 -5.200 1.00 0.00 O -ATOM 114 H TYR A 7 -3.573 -4.619 -2.007 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.029 -4.531 -4.564 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.166 -3.797 -1.771 1.00 0.00 H -ATOM 117 HB3 TYR A 7 0.014 -4.425 -2.913 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.550 -1.812 -2.404 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.895 -3.051 -4.616 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.460 0.408 -3.428 1.00 0.00 H -ATOM 121 HE2 TYR A 7 1.042 -0.810 -5.646 1.00 0.00 H -ATOM 122 HH TYR A 7 -0.678 1.864 -4.499 1.00 0.00 H -ATOM 123 N LYS A 8 -2.073 -6.698 -2.061 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.905 -8.149 -1.752 1.00 0.00 C -ATOM 125 C LYS A 8 -2.950 -8.585 -0.721 1.00 0.00 C -ATOM 126 O LYS A 8 -2.640 -8.817 0.433 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.488 -8.272 -1.184 1.00 0.00 C -ATOM 128 CG LYS A 8 0.193 -9.514 -1.763 1.00 0.00 C -ATOM 129 CD LYS A 8 -0.532 -10.769 -1.274 1.00 0.00 C -ATOM 130 CE LYS A 8 -0.194 -11.945 -2.192 1.00 0.00 C -ATOM 131 NZ LYS A 8 0.955 -12.627 -1.535 1.00 0.00 N -ATOM 132 H LYS A 8 -2.369 -6.081 -1.360 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.996 -8.737 -2.652 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.083 -7.393 -1.449 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.534 -8.358 -0.109 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.155 -9.474 -2.842 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.222 -9.545 -1.440 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.218 -10.996 -0.266 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -1.597 -10.599 -1.290 1.00 0.00 H -ATOM 140 HE2 LYS A 8 -1.040 -12.615 -2.269 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.096 -11.589 -3.169 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 0.670 -12.959 -0.592 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 1.748 -11.959 -1.443 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 1.251 -13.441 -2.111 1.00 0.00 H -ATOM 145 N GLY A 9 -4.189 -8.688 -1.130 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.267 -9.094 -0.180 1.00 0.00 C -ATOM 147 C GLY A 9 -5.398 -8.042 0.928 1.00 0.00 C -ATOM 148 O GLY A 9 -5.903 -8.321 2.000 1.00 0.00 O -ATOM 149 H GLY A 9 -4.412 -8.487 -2.063 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.203 -9.177 -0.714 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.018 -10.048 0.260 1.00 0.00 H -ATOM 152 N ARG A 10 -4.949 -6.835 0.678 1.00 0.00 N -ATOM 153 CA ARG A 10 -5.042 -5.760 1.709 1.00 0.00 C -ATOM 154 C ARG A 10 -5.335 -4.417 1.037 1.00 0.00 C -ATOM 155 O ARG A 10 -4.533 -3.917 0.272 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.662 -5.717 2.370 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.372 -7.053 3.057 1.00 0.00 C -ATOM 158 CD ARG A 10 -2.015 -6.983 3.763 1.00 0.00 C -ATOM 159 NE ARG A 10 -2.334 -6.698 5.188 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.702 -5.747 5.821 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.410 -5.622 5.690 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -2.362 -4.921 6.587 1.00 0.00 N -ATOM 163 H ARG A 10 -4.548 -6.634 -0.192 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.798 -5.995 2.440 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.910 -5.527 1.616 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.642 -4.925 3.104 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -4.147 -7.260 3.781 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -3.349 -7.840 2.319 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.499 -7.929 3.675 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.416 -6.185 3.352 1.00 0.00 H -ATOM 171 HE ARG A 10 -3.015 -7.226 5.650 1.00 0.00 H -ATOM 172 HH11 ARG A 10 0.096 -6.255 5.104 1.00 0.00 H -ATOM 173 HH12 ARG A 10 0.075 -4.895 6.176 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -3.352 -5.016 6.689 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -1.876 -4.194 7.072 1.00 0.00 H -ATOM 176 N THR A 11 -6.469 -3.827 1.318 1.00 0.00 N -ATOM 177 CA THR A 11 -6.795 -2.511 0.694 1.00 0.00 C -ATOM 178 C THR A 11 -5.998 -1.405 1.395 1.00 0.00 C -ATOM 179 O THR A 11 -5.851 -1.415 2.604 1.00 0.00 O -ATOM 180 CB THR A 11 -8.301 -2.310 0.922 1.00 0.00 C -ATOM 181 OG1 THR A 11 -9.021 -3.338 0.256 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.742 -0.942 0.378 1.00 0.00 C -ATOM 183 H THR A 11 -7.100 -4.247 1.940 1.00 0.00 H -ATOM 184 HA THR A 11 -6.576 -2.535 -0.364 1.00 0.00 H -ATOM 185 HB THR A 11 -8.510 -2.355 1.979 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.124 -4.071 0.866 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.328 -0.429 1.127 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.340 -1.085 -0.509 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.872 -0.345 0.132 1.00 0.00 H -ATOM 190 N PHE A 12 -5.494 -0.452 0.654 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.719 0.654 1.289 1.00 0.00 C -ATOM 192 C PHE A 12 -5.572 1.920 1.350 1.00 0.00 C -ATOM 193 O PHE A 12 -6.095 2.374 0.355 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.487 0.846 0.405 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.587 -0.333 0.621 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.919 -1.542 0.026 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.436 -0.223 1.409 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.103 -2.662 0.217 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.613 -1.337 1.600 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.948 -2.560 1.005 1.00 0.00 C -ATOM 201 H PHE A 12 -5.630 -0.461 -0.316 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.408 0.363 2.280 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.775 0.890 -0.643 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -2.970 1.753 0.682 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.811 -1.605 -0.590 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.189 0.721 1.874 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.366 -3.606 -0.236 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.283 -1.253 2.198 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.315 -3.423 1.149 1.00 0.00 H -ATOM 210 N ARG A 13 -5.721 2.481 2.522 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.541 3.719 2.674 1.00 0.00 C -ATOM 212 C ARG A 13 -5.703 4.805 3.346 1.00 0.00 C -ATOM 213 O ARG A 13 -6.208 5.631 4.082 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.712 3.314 3.571 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.715 2.486 2.763 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.342 1.420 3.666 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.769 1.354 3.249 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.715 1.500 4.137 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -11.898 2.657 4.712 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -12.479 0.488 4.447 1.00 0.00 N -ATOM 221 H ARG A 13 -5.292 2.084 3.309 1.00 0.00 H -ATOM 222 HA ARG A 13 -6.905 4.055 1.716 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.343 2.727 4.399 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.200 4.201 3.947 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.490 3.135 2.379 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.206 2.006 1.941 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -8.858 0.466 3.508 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.271 1.714 4.701 1.00 0.00 H -ATOM 229 HE ARG A 13 -10.998 1.200 2.310 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -11.314 3.432 4.474 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -12.623 2.768 5.393 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -12.339 -0.397 4.005 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -13.204 0.600 5.126 1.00 0.00 H -ATOM 234 N ASN A 14 -4.420 4.798 3.097 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.524 5.817 3.717 1.00 0.00 C -ATOM 236 C ASN A 14 -2.222 5.918 2.921 1.00 0.00 C -ATOM 237 O ASN A 14 -1.600 4.921 2.605 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.249 5.290 5.128 1.00 0.00 C -ATOM 239 CG ASN A 14 -3.190 6.461 6.110 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -4.200 6.866 6.651 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.041 7.022 6.368 1.00 0.00 N -ATOM 242 H ASN A 14 -4.043 4.116 2.503 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.015 6.775 3.768 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -4.040 4.614 5.418 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.305 4.767 5.138 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -1.228 6.695 5.931 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.992 7.770 6.997 1.00 0.00 H -ATOM 248 N GLU A 15 -1.811 7.116 2.591 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.548 7.289 1.807 1.00 0.00 C -ATOM 250 C GLU A 15 0.641 6.714 2.584 1.00 0.00 C -ATOM 251 O GLU A 15 1.573 6.188 2.007 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.392 8.800 1.623 1.00 0.00 C -ATOM 253 CG GLU A 15 0.288 9.082 0.281 1.00 0.00 C -ATOM 254 CD GLU A 15 0.778 10.530 0.250 1.00 0.00 C -ATOM 255 OE1 GLU A 15 1.296 10.982 1.259 1.00 0.00 O -ATOM 256 OE2 GLU A 15 0.628 11.164 -0.783 1.00 0.00 O -ATOM 257 H GLU A 15 -2.335 7.901 2.857 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.635 6.809 0.845 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.367 9.267 1.639 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.213 9.201 2.422 1.00 0.00 H -ATOM 261 HG2 GLU A 15 1.127 8.413 0.156 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.420 8.926 -0.520 1.00 0.00 H -ATOM 263 N LYS A 16 0.612 6.814 3.890 1.00 0.00 N -ATOM 264 CA LYS A 16 1.737 6.279 4.716 1.00 0.00 C -ATOM 265 C LYS A 16 1.933 4.787 4.458 1.00 0.00 C -ATOM 266 O LYS A 16 3.043 4.302 4.347 1.00 0.00 O -ATOM 267 CB LYS A 16 1.323 6.518 6.169 1.00 0.00 C -ATOM 268 CG LYS A 16 2.512 6.235 7.090 1.00 0.00 C -ATOM 269 CD LYS A 16 3.564 7.331 6.915 1.00 0.00 C -ATOM 270 CE LYS A 16 4.456 7.382 8.158 1.00 0.00 C -ATOM 271 NZ LYS A 16 5.261 6.130 8.105 1.00 0.00 N -ATOM 272 H LYS A 16 -0.147 7.245 4.326 1.00 0.00 H -ATOM 273 HA LYS A 16 2.632 6.813 4.500 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.006 7.544 6.291 1.00 0.00 H -ATOM 275 HB3 LYS A 16 0.509 5.856 6.424 1.00 0.00 H -ATOM 276 HG2 LYS A 16 2.175 6.217 8.116 1.00 0.00 H -ATOM 277 HG3 LYS A 16 2.944 5.280 6.834 1.00 0.00 H -ATOM 278 HD2 LYS A 16 4.168 7.116 6.045 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.074 8.285 6.787 1.00 0.00 H -ATOM 280 HE2 LYS A 16 5.101 8.250 8.119 1.00 0.00 H -ATOM 281 HE3 LYS A 16 3.855 7.398 9.052 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 5.835 6.124 7.238 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 4.623 5.308 8.104 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 5.887 6.084 8.933 1.00 0.00 H -ATOM 285 N GLU A 17 0.856 4.068 4.364 1.00 0.00 N -ATOM 286 CA GLU A 17 0.941 2.596 4.112 1.00 0.00 C -ATOM 287 C GLU A 17 1.398 2.339 2.678 1.00 0.00 C -ATOM 288 O GLU A 17 2.371 1.653 2.436 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.481 2.064 4.308 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.964 2.370 5.727 1.00 0.00 C -ATOM 291 CD GLU A 17 -0.298 1.410 6.714 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.915 1.466 6.838 1.00 0.00 O -ATOM 293 OE2 GLU A 17 -1.012 0.636 7.330 1.00 0.00 O -ATOM 294 H GLU A 17 -0.014 4.503 4.460 1.00 0.00 H -ATOM 295 HA GLU A 17 1.613 2.128 4.815 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.141 2.537 3.596 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.489 0.997 4.151 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.707 3.389 5.982 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -2.034 2.245 5.773 1.00 0.00 H -ATOM 300 N LEU A 18 0.687 2.883 1.726 1.00 0.00 N -ATOM 301 CA LEU A 18 1.050 2.682 0.288 1.00 0.00 C -ATOM 302 C LEU A 18 2.487 3.141 0.026 1.00 0.00 C -ATOM 303 O LEU A 18 3.274 2.424 -0.563 1.00 0.00 O -ATOM 304 CB LEU A 18 0.042 3.544 -0.495 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.422 2.825 -1.775 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.983 1.430 -1.435 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.514 3.661 -2.448 1.00 0.00 C -ATOM 308 H LEU A 18 -0.095 3.424 1.961 1.00 0.00 H -ATOM 309 HA LEU A 18 0.941 1.647 0.021 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -0.817 3.743 0.129 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.510 4.479 -0.765 1.00 0.00 H -ATOM 312 HG LEU A 18 0.412 2.727 -2.446 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.979 1.300 -0.372 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.365 0.662 -1.888 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.993 1.338 -1.801 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.130 4.127 -1.693 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -2.126 3.022 -3.067 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.057 4.424 -3.061 1.00 0.00 H -ATOM 319 N ARG A 19 2.837 4.320 0.470 1.00 0.00 N -ATOM 320 CA ARG A 19 4.232 4.816 0.255 1.00 0.00 C -ATOM 321 C ARG A 19 5.241 3.868 0.917 1.00 0.00 C -ATOM 322 O ARG A 19 6.410 3.860 0.576 1.00 0.00 O -ATOM 323 CB ARG A 19 4.279 6.194 0.917 1.00 0.00 C -ATOM 324 CG ARG A 19 3.488 7.197 0.072 1.00 0.00 C -ATOM 325 CD ARG A 19 4.445 7.971 -0.837 1.00 0.00 C -ATOM 326 NE ARG A 19 4.930 6.969 -1.824 1.00 0.00 N -ATOM 327 CZ ARG A 19 6.210 6.843 -2.053 1.00 0.00 C -ATOM 328 NH1 ARG A 19 6.798 7.630 -2.912 1.00 0.00 N -ATOM 329 NH2 ARG A 19 6.898 5.929 -1.427 1.00 0.00 N -ATOM 330 H ARG A 19 2.186 4.874 0.951 1.00 0.00 H -ATOM 331 HA ARG A 19 4.439 4.907 -0.798 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.846 6.133 1.905 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.304 6.520 0.994 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.766 6.667 -0.533 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.974 7.888 0.722 1.00 0.00 H -ATOM 336 HD2 ARG A 19 3.920 8.772 -1.338 1.00 0.00 H -ATOM 337 HD3 ARG A 19 5.275 8.360 -0.267 1.00 0.00 H -ATOM 338 HE ARG A 19 4.289 6.407 -2.303 1.00 0.00 H -ATOM 339 HH11 ARG A 19 6.271 8.329 -3.393 1.00 0.00 H -ATOM 340 HH12 ARG A 19 7.778 7.533 -3.089 1.00 0.00 H -ATOM 341 HH21 ARG A 19 6.446 5.325 -0.770 1.00 0.00 H -ATOM 342 HH22 ARG A 19 7.878 5.833 -1.602 1.00 0.00 H -ATOM 343 N ASP A 20 4.799 3.071 1.861 1.00 0.00 N -ATOM 344 CA ASP A 20 5.728 2.125 2.546 1.00 0.00 C -ATOM 345 C ASP A 20 5.588 0.716 1.960 1.00 0.00 C -ATOM 346 O ASP A 20 6.541 -0.038 1.912 1.00 0.00 O -ATOM 347 CB ASP A 20 5.296 2.140 4.013 1.00 0.00 C -ATOM 348 CG ASP A 20 6.392 1.512 4.876 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.536 1.913 4.733 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.069 0.641 5.667 1.00 0.00 O -ATOM 351 H ASP A 20 3.856 3.094 2.121 1.00 0.00 H -ATOM 352 HA ASP A 20 6.746 2.469 2.459 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.130 3.161 4.328 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.384 1.575 4.126 1.00 0.00 H -ATOM 355 N PHE A 21 4.408 0.353 1.516 1.00 0.00 N -ATOM 356 CA PHE A 21 4.213 -1.012 0.937 1.00 0.00 C -ATOM 357 C PHE A 21 4.943 -1.143 -0.405 1.00 0.00 C -ATOM 358 O PHE A 21 5.960 -1.802 -0.508 1.00 0.00 O -ATOM 359 CB PHE A 21 2.705 -1.180 0.735 1.00 0.00 C -ATOM 360 CG PHE A 21 2.471 -2.571 0.214 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.476 -3.634 1.111 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.287 -2.801 -1.156 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.284 -4.941 0.652 1.00 0.00 C -ATOM 364 CE2 PHE A 21 2.098 -4.107 -1.620 1.00 0.00 C -ATOM 365 CZ PHE A 21 2.094 -5.178 -0.715 1.00 0.00 C -ATOM 366 H PHE A 21 3.653 0.975 1.566 1.00 0.00 H -ATOM 367 HA PHE A 21 4.561 -1.769 1.628 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.203 -1.054 1.676 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.329 -0.459 0.033 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.637 -3.439 2.161 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.291 -1.971 -1.856 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.280 -5.765 1.350 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.960 -4.292 -2.674 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.948 -6.186 -1.073 1.00 0.00 H -ATOM 375 N ILE A 22 4.415 -0.529 -1.438 1.00 0.00 N -ATOM 376 CA ILE A 22 5.047 -0.613 -2.794 1.00 0.00 C -ATOM 377 C ILE A 22 6.539 -0.274 -2.702 1.00 0.00 C -ATOM 378 O ILE A 22 7.357 -0.819 -3.419 1.00 0.00 O -ATOM 379 CB ILE A 22 4.300 0.414 -3.653 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.828 -0.002 -3.778 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.915 0.449 -5.052 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.949 0.871 -2.889 1.00 0.00 C -ATOM 383 H ILE A 22 3.595 -0.017 -1.318 1.00 0.00 H -ATOM 384 HA ILE A 22 4.905 -1.600 -3.211 1.00 0.00 H -ATOM 385 HB ILE A 22 4.370 1.391 -3.198 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.510 0.109 -4.803 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.721 -1.031 -3.481 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.471 1.250 -5.620 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.722 -0.493 -5.543 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.980 0.604 -4.973 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.613 0.295 -2.038 1.00 0.00 H -ATOM 392 HD12 ILE A 22 1.095 1.206 -3.454 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.512 1.727 -2.546 1.00 0.00 H -ATOM 394 N GLU A 23 6.888 0.610 -1.806 1.00 0.00 N -ATOM 395 CA GLU A 23 8.325 0.977 -1.639 1.00 0.00 C -ATOM 396 C GLU A 23 9.084 -0.234 -1.097 1.00 0.00 C -ATOM 397 O GLU A 23 10.231 -0.464 -1.431 1.00 0.00 O -ATOM 398 CB GLU A 23 8.341 2.128 -0.631 1.00 0.00 C -ATOM 399 CG GLU A 23 9.777 2.620 -0.439 1.00 0.00 C -ATOM 400 CD GLU A 23 9.771 3.905 0.391 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.302 3.857 1.516 1.00 0.00 O -ATOM 402 OE2 GLU A 23 10.235 4.914 -0.111 1.00 0.00 O -ATOM 403 H GLU A 23 6.202 1.018 -1.234 1.00 0.00 H -ATOM 404 HA GLU A 23 8.747 1.295 -2.580 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.729 2.937 -1.002 1.00 0.00 H -ATOM 406 HB3 GLU A 23 7.950 1.785 0.314 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.351 1.862 0.072 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.221 2.819 -1.403 1.00 0.00 H -ATOM 409 N LYS A 24 8.435 -1.018 -0.275 1.00 0.00 N -ATOM 410 CA LYS A 24 9.088 -2.235 0.284 1.00 0.00 C -ATOM 411 C LYS A 24 8.922 -3.390 -0.703 1.00 0.00 C -ATOM 412 O LYS A 24 9.886 -4.001 -1.127 1.00 0.00 O -ATOM 413 CB LYS A 24 8.342 -2.526 1.587 1.00 0.00 C -ATOM 414 CG LYS A 24 9.205 -3.414 2.483 1.00 0.00 C -ATOM 415 CD LYS A 24 8.978 -4.884 2.120 1.00 0.00 C -ATOM 416 CE LYS A 24 9.204 -5.756 3.358 1.00 0.00 C -ATOM 417 NZ LYS A 24 9.627 -7.080 2.825 1.00 0.00 N -ATOM 418 H LYS A 24 7.506 -0.812 -0.038 1.00 0.00 H -ATOM 419 HA LYS A 24 10.131 -2.049 0.484 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.132 -1.597 2.096 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.415 -3.033 1.366 1.00 0.00 H -ATOM 422 HG2 LYS A 24 10.247 -3.164 2.342 1.00 0.00 H -ATOM 423 HG3 LYS A 24 8.933 -3.256 3.516 1.00 0.00 H -ATOM 424 HD2 LYS A 24 7.966 -5.013 1.765 1.00 0.00 H -ATOM 425 HD3 LYS A 24 9.672 -5.174 1.345 1.00 0.00 H -ATOM 426 HE2 LYS A 24 9.980 -5.331 3.978 1.00 0.00 H -ATOM 427 HE3 LYS A 24 8.286 -5.859 3.917 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 9.630 -7.779 3.594 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 10.584 -7.001 2.423 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 8.964 -7.386 2.085 1.00 0.00 H -ATOM 431 N PHE A 25 7.701 -3.687 -1.078 1.00 0.00 N -ATOM 432 CA PHE A 25 7.455 -4.786 -2.040 1.00 0.00 C -ATOM 433 C PHE A 25 7.329 -4.223 -3.460 1.00 0.00 C -ATOM 434 O PHE A 25 6.276 -4.275 -4.068 1.00 0.00 O -ATOM 435 CB PHE A 25 6.143 -5.428 -1.588 1.00 0.00 C -ATOM 436 CG PHE A 25 5.927 -6.712 -2.349 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.849 -7.758 -2.234 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.805 -6.854 -3.171 1.00 0.00 C -ATOM 439 CE1 PHE A 25 6.649 -8.948 -2.942 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.603 -8.044 -3.880 1.00 0.00 C -ATOM 441 CZ PHE A 25 5.525 -9.092 -3.765 1.00 0.00 C -ATOM 442 H PHE A 25 6.949 -3.181 -0.729 1.00 0.00 H -ATOM 443 HA PHE A 25 8.250 -5.499 -1.986 1.00 0.00 H -ATOM 444 HB2 PHE A 25 6.192 -5.640 -0.530 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.324 -4.752 -1.784 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.716 -7.646 -1.599 1.00 0.00 H -ATOM 447 HD2 PHE A 25 4.095 -6.045 -3.259 1.00 0.00 H -ATOM 448 HE1 PHE A 25 7.361 -9.757 -2.854 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.736 -8.155 -4.514 1.00 0.00 H -ATOM 450 HZ PHE A 25 5.369 -10.011 -4.311 1.00 0.00 H -ATOM 451 N LYS A 26 8.398 -3.679 -3.987 1.00 0.00 N -ATOM 452 CA LYS A 26 8.358 -3.097 -5.369 1.00 0.00 C -ATOM 453 C LYS A 26 7.835 -4.115 -6.386 1.00 0.00 C -ATOM 454 O LYS A 26 7.328 -3.755 -7.433 1.00 0.00 O -ATOM 455 CB LYS A 26 9.807 -2.727 -5.690 1.00 0.00 C -ATOM 456 CG LYS A 26 10.199 -1.464 -4.921 1.00 0.00 C -ATOM 457 CD LYS A 26 11.394 -0.799 -5.609 1.00 0.00 C -ATOM 458 CE LYS A 26 12.294 -0.147 -4.558 1.00 0.00 C -ATOM 459 NZ LYS A 26 13.684 -0.429 -5.015 1.00 0.00 N -ATOM 460 H LYS A 26 9.229 -3.646 -3.468 1.00 0.00 H -ATOM 461 HA LYS A 26 7.746 -2.219 -5.381 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.457 -3.540 -5.402 1.00 0.00 H -ATOM 463 HB3 LYS A 26 9.907 -2.545 -6.750 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.364 -0.779 -4.904 1.00 0.00 H -ATOM 465 HG3 LYS A 26 10.470 -1.727 -3.910 1.00 0.00 H -ATOM 466 HD2 LYS A 26 11.955 -1.544 -6.154 1.00 0.00 H -ATOM 467 HD3 LYS A 26 11.039 -0.044 -6.295 1.00 0.00 H -ATOM 468 HE2 LYS A 26 12.117 0.919 -4.522 1.00 0.00 H -ATOM 469 HE3 LYS A 26 12.127 -0.592 -3.590 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 13.809 -1.455 -5.132 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 14.361 -0.078 -4.309 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 13.852 0.046 -5.925 1.00 0.00 H -ATOM 473 N GLY A 27 7.958 -5.376 -6.085 1.00 0.00 N -ATOM 474 CA GLY A 27 7.476 -6.431 -7.025 1.00 0.00 C -ATOM 475 C GLY A 27 8.672 -7.196 -7.595 1.00 0.00 C -ATOM 476 O GLY A 27 8.715 -7.511 -8.769 1.00 0.00 O -ATOM 477 H GLY A 27 8.371 -5.629 -5.237 1.00 0.00 H -ATOM 478 HA2 GLY A 27 6.828 -7.116 -6.496 1.00 0.00 H -ATOM 479 HA3 GLY A 27 6.930 -5.970 -7.833 1.00 0.00 H -ATOM 480 N ARG A 28 9.643 -7.493 -6.770 1.00 0.00 N -ATOM 481 CA ARG A 28 10.845 -8.238 -7.256 1.00 0.00 C -ATOM 482 C ARG A 28 10.623 -9.749 -7.126 1.00 0.00 C -ATOM 483 O ARG A 28 11.375 -10.494 -7.735 1.00 0.00 O -ATOM 484 CB ARG A 28 11.999 -7.776 -6.355 1.00 0.00 C -ATOM 485 CG ARG A 28 11.692 -8.104 -4.884 1.00 0.00 C -ATOM 486 CD ARG A 28 12.734 -9.084 -4.338 1.00 0.00 C -ATOM 487 NE ARG A 28 12.102 -9.681 -3.129 1.00 0.00 N -ATOM 488 CZ ARG A 28 12.474 -10.861 -2.714 1.00 0.00 C -ATOM 489 NH1 ARG A 28 12.288 -11.908 -3.471 1.00 0.00 N -ATOM 490 NH2 ARG A 28 13.032 -10.993 -1.542 1.00 0.00 N -ATOM 491 OXT ARG A 28 9.705 -10.136 -6.421 1.00 0.00 O -ATOM 492 H ARG A 28 9.581 -7.225 -5.830 1.00 0.00 H -ATOM 493 HA ARG A 28 11.055 -7.979 -8.281 1.00 0.00 H -ATOM 494 HB2 ARG A 28 12.909 -8.276 -6.658 1.00 0.00 H -ATOM 495 HB3 ARG A 28 12.127 -6.710 -6.462 1.00 0.00 H -ATOM 496 HG2 ARG A 28 11.717 -7.194 -4.302 1.00 0.00 H -ATOM 497 HG3 ARG A 28 10.710 -8.549 -4.807 1.00 0.00 H -ATOM 498 HD2 ARG A 28 12.950 -9.849 -5.071 1.00 0.00 H -ATOM 499 HD3 ARG A 28 13.636 -8.559 -4.063 1.00 0.00 H -ATOM 500 HE ARG A 28 11.408 -9.188 -2.646 1.00 0.00 H -ATOM 501 HH11 ARG A 28 11.861 -11.805 -4.370 1.00 0.00 H -ATOM 502 HH12 ARG A 28 12.572 -12.812 -3.153 1.00 0.00 H -ATOM 503 HH21 ARG A 28 13.175 -10.191 -0.962 1.00 0.00 H -ATOM 504 HH22 ARG A 28 13.316 -11.898 -1.223 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 10 -ATOM 1 N GLU A 1 -11.747 7.496 5.948 1.00 0.00 N -ATOM 2 CA GLU A 1 -11.704 6.405 4.932 1.00 0.00 C -ATOM 3 C GLU A 1 -11.204 6.951 3.591 1.00 0.00 C -ATOM 4 O GLU A 1 -11.829 7.802 2.987 1.00 0.00 O -ATOM 5 CB GLU A 1 -13.149 5.920 4.810 1.00 0.00 C -ATOM 6 CG GLU A 1 -13.161 4.404 4.603 1.00 0.00 C -ATOM 7 CD GLU A 1 -14.388 4.012 3.777 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -14.423 4.350 2.606 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.273 3.379 4.331 1.00 0.00 O -ATOM 10 H1 GLU A 1 -12.325 8.282 5.587 1.00 0.00 H -ATOM 11 H2 GLU A 1 -10.781 7.833 6.135 1.00 0.00 H -ATOM 12 H3 GLU A 1 -12.166 7.135 6.827 1.00 0.00 H -ATOM 13 HA GLU A 1 -11.072 5.600 5.271 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -13.688 6.165 5.714 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -13.621 6.400 3.967 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -12.264 4.105 4.080 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -13.202 3.910 5.561 1.00 0.00 H -ATOM 18 N GLN A 2 -10.081 6.467 3.125 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.529 6.953 1.824 1.00 0.00 C -ATOM 20 C GLN A 2 -9.753 5.908 0.731 1.00 0.00 C -ATOM 21 O GLN A 2 -10.547 5.000 0.878 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.032 7.154 2.080 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.572 8.463 1.431 1.00 0.00 C -ATOM 24 CD GLN A 2 -6.042 8.513 1.394 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -5.379 7.804 2.125 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -5.450 9.328 0.565 1.00 0.00 N -ATOM 27 H GLN A 2 -9.598 5.783 3.635 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.985 7.889 1.545 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -7.851 7.197 3.144 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.479 6.331 1.653 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -7.959 8.520 0.424 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.944 9.298 2.006 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -5.984 9.900 -0.025 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -4.471 9.368 0.533 1.00 0.00 H -ATOM 35 N TYR A 3 -9.058 6.041 -0.371 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.210 5.070 -1.506 1.00 0.00 C -ATOM 37 C TYR A 3 -9.167 3.614 -1.028 1.00 0.00 C -ATOM 38 O TYR A 3 -8.723 3.320 0.065 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.051 5.363 -2.471 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.741 5.491 -1.727 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.214 4.409 -1.015 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.062 6.711 -1.749 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.010 4.549 -0.329 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.857 6.851 -1.062 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.328 5.770 -0.350 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.134 5.908 0.327 1.00 0.00 O -ATOM 47 H TYR A 3 -8.434 6.790 -0.461 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.133 5.256 -2.009 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -7.975 4.567 -3.193 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.254 6.292 -2.982 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.732 3.465 -0.993 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.469 7.546 -2.299 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.612 3.716 0.219 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.337 7.793 -1.080 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.449 5.480 -0.190 1.00 0.00 H -ATOM 56 N THR A 4 -9.637 2.705 -1.845 1.00 0.00 N -ATOM 57 CA THR A 4 -9.641 1.263 -1.457 1.00 0.00 C -ATOM 58 C THR A 4 -8.536 0.504 -2.200 1.00 0.00 C -ATOM 59 O THR A 4 -8.678 -0.660 -2.518 1.00 0.00 O -ATOM 60 CB THR A 4 -11.022 0.753 -1.874 1.00 0.00 C -ATOM 61 OG1 THR A 4 -12.013 1.677 -1.446 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.285 -0.611 -1.233 1.00 0.00 C -ATOM 63 H THR A 4 -9.993 2.974 -2.717 1.00 0.00 H -ATOM 64 HA THR A 4 -9.518 1.161 -0.390 1.00 0.00 H -ATOM 65 HB THR A 4 -11.061 0.655 -2.948 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.958 1.747 -0.490 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.102 -0.549 -0.171 1.00 0.00 H -ATOM 68 HG22 THR A 4 -10.628 -1.348 -1.670 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.312 -0.897 -1.405 1.00 0.00 H -ATOM 70 N ALA A 5 -7.433 1.159 -2.479 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.303 0.490 -3.202 1.00 0.00 C -ATOM 72 C ALA A 5 -5.941 -0.836 -2.545 1.00 0.00 C -ATOM 73 O ALA A 5 -5.629 -0.880 -1.375 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.117 1.437 -3.077 1.00 0.00 C -ATOM 75 H ALA A 5 -7.348 2.094 -2.217 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.553 0.348 -4.238 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.471 2.445 -2.925 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.529 1.390 -3.981 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.505 1.135 -2.231 1.00 0.00 H -ATOM 80 N LYS A 6 -5.957 -1.902 -3.293 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.597 -3.231 -2.713 1.00 0.00 C -ATOM 82 C LYS A 6 -4.292 -3.743 -3.318 1.00 0.00 C -ATOM 83 O LYS A 6 -4.032 -3.585 -4.496 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.756 -4.176 -3.047 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.057 -4.142 -4.548 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.624 -5.492 -4.989 1.00 0.00 C -ATOM 87 CE LYS A 6 -7.468 -5.643 -6.504 1.00 0.00 C -ATOM 88 NZ LYS A 6 -8.098 -6.954 -6.826 1.00 0.00 N -ATOM 89 H LYS A 6 -6.192 -1.824 -4.239 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.496 -3.148 -1.643 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.483 -5.181 -2.758 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.634 -3.872 -2.499 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.777 -3.364 -4.750 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.148 -3.941 -5.094 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.090 -6.288 -4.489 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.672 -5.544 -4.730 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -7.981 -4.839 -7.015 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -6.424 -5.657 -6.775 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -9.125 -6.892 -6.677 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -7.700 -7.690 -6.208 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -7.909 -7.194 -7.820 1.00 0.00 H -ATOM 102 N TYR A 7 -3.471 -4.353 -2.507 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.169 -4.886 -3.005 1.00 0.00 C -ATOM 104 C TYR A 7 -2.007 -6.340 -2.571 1.00 0.00 C -ATOM 105 O TYR A 7 -1.889 -6.639 -1.398 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.102 -4.014 -2.360 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.128 -2.668 -3.000 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.156 -1.775 -2.705 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.117 -2.317 -3.884 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.179 -0.515 -3.300 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.123 -1.061 -4.485 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.157 -0.151 -4.196 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.167 1.095 -4.789 1.00 0.00 O -ATOM 114 H TYR A 7 -3.714 -4.462 -1.565 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.110 -4.797 -4.078 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.291 -3.913 -1.311 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.133 -4.456 -2.509 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.938 -2.064 -2.019 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.667 -3.024 -4.107 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.975 0.182 -3.055 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.673 -0.793 -5.161 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.569 1.008 -5.657 1.00 0.00 H -ATOM 123 N LYS A 8 -2.012 -7.248 -3.511 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.872 -8.704 -3.176 1.00 0.00 C -ATOM 125 C LYS A 8 -2.883 -9.117 -2.092 1.00 0.00 C -ATOM 126 O LYS A 8 -2.677 -10.079 -1.377 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.435 -8.867 -2.662 1.00 0.00 C -ATOM 128 CG LYS A 8 0.193 -10.125 -3.270 1.00 0.00 C -ATOM 129 CD LYS A 8 -0.568 -11.365 -2.791 1.00 0.00 C -ATOM 130 CE LYS A 8 0.293 -12.617 -3.002 1.00 0.00 C -ATOM 131 NZ LYS A 8 0.728 -13.022 -1.636 1.00 0.00 N -ATOM 132 H LYS A 8 -2.114 -6.969 -4.446 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.013 -9.303 -4.062 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.146 -8.002 -2.945 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.446 -8.956 -1.587 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.144 -10.066 -4.348 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.225 -10.197 -2.961 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.802 -11.259 -1.742 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -1.484 -11.464 -3.355 1.00 0.00 H -ATOM 140 HE2 LYS A 8 -0.293 -13.402 -3.460 1.00 0.00 H -ATOM 141 HE3 LYS A 8 1.154 -12.387 -3.611 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 -0.110 -13.216 -1.049 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 1.283 -12.255 -1.206 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 1.314 -13.878 -1.698 1.00 0.00 H -ATOM 145 N GLY A 9 -3.974 -8.397 -1.972 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.000 -8.746 -0.944 1.00 0.00 C -ATOM 147 C GLY A 9 -4.852 -7.836 0.281 1.00 0.00 C -ATOM 148 O GLY A 9 -5.059 -8.258 1.403 1.00 0.00 O -ATOM 149 H GLY A 9 -4.121 -7.630 -2.563 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -5.987 -8.621 -1.367 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.868 -9.773 -0.640 1.00 0.00 H -ATOM 152 N ARG A 10 -4.498 -6.591 0.075 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.339 -5.650 1.227 1.00 0.00 C -ATOM 154 C ARG A 10 -4.806 -4.246 0.828 1.00 0.00 C -ATOM 155 O ARG A 10 -4.139 -3.554 0.082 1.00 0.00 O -ATOM 156 CB ARG A 10 -2.840 -5.646 1.539 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.381 -7.063 1.896 1.00 0.00 C -ATOM 158 CD ARG A 10 -0.919 -7.026 2.342 1.00 0.00 C -ATOM 159 NE ARG A 10 -0.420 -8.415 2.139 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.350 -9.238 3.149 1.00 0.00 C -ATOM 161 NH1 ARG A 10 0.487 -9.004 4.124 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.115 -10.294 3.187 1.00 0.00 N -ATOM 163 H ARG A 10 -4.337 -6.274 -0.838 1.00 0.00 H -ATOM 164 HA ARG A 10 -4.894 -6.002 2.082 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.295 -5.299 0.674 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.648 -4.988 2.373 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -2.993 -7.449 2.697 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.475 -7.701 1.030 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.360 -6.331 1.733 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -0.849 -6.758 3.384 1.00 0.00 H -ATOM 171 HE ARG A 10 -0.146 -8.711 1.246 1.00 0.00 H -ATOM 172 HH11 ARG A 10 1.074 -8.195 4.095 1.00 0.00 H -ATOM 173 HH12 ARG A 10 0.541 -9.634 4.898 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -1.757 -10.472 2.441 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -1.062 -10.923 3.962 1.00 0.00 H -ATOM 176 N THR A 11 -5.950 -3.826 1.311 1.00 0.00 N -ATOM 177 CA THR A 11 -6.467 -2.469 0.950 1.00 0.00 C -ATOM 178 C THR A 11 -5.623 -1.368 1.608 1.00 0.00 C -ATOM 179 O THR A 11 -4.898 -1.614 2.552 1.00 0.00 O -ATOM 180 CB THR A 11 -7.898 -2.417 1.486 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.640 -3.506 0.956 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.546 -1.094 1.063 1.00 0.00 C -ATOM 183 H THR A 11 -6.470 -4.406 1.906 1.00 0.00 H -ATOM 184 HA THR A 11 -6.479 -2.355 -0.119 1.00 0.00 H -ATOM 185 HB THR A 11 -7.883 -2.479 2.562 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.723 -4.172 1.643 1.00 0.00 H -ATOM 187 HG21 THR A 11 -8.345 -0.340 1.812 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.612 -1.229 0.966 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.134 -0.777 0.115 1.00 0.00 H -ATOM 190 N PHE A 12 -5.729 -0.150 1.124 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.950 0.973 1.732 1.00 0.00 C -ATOM 192 C PHE A 12 -5.843 2.196 1.941 1.00 0.00 C -ATOM 193 O PHE A 12 -6.543 2.627 1.047 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.822 1.284 0.745 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.735 0.282 0.959 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.829 -0.941 0.311 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.645 0.563 1.798 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.837 -1.903 0.494 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.645 -0.403 1.979 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.745 -1.637 1.328 1.00 0.00 C -ATOM 201 H PHE A 12 -6.329 0.025 0.370 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.529 0.660 2.675 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.181 1.205 -0.282 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.440 2.277 0.924 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.674 -1.134 -0.342 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.578 1.518 2.305 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.918 -2.851 0.004 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.207 -0.195 2.611 1.00 0.00 H -ATOM 209 HZ PHE A 12 0.021 -2.384 1.467 1.00 0.00 H -ATOM 210 N ARG A 13 -5.816 2.755 3.123 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.651 3.957 3.413 1.00 0.00 C -ATOM 212 C ARG A 13 -5.758 5.088 3.927 1.00 0.00 C -ATOM 213 O ARG A 13 -6.154 5.874 4.766 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.630 3.509 4.499 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.583 2.458 3.928 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.433 1.873 5.057 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.244 0.803 4.415 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.540 0.791 4.561 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.069 0.346 5.668 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -12.310 1.222 3.598 1.00 0.00 N -ATOM 221 H ARG A 13 -5.238 2.384 3.822 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.190 4.266 2.533 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.079 3.085 5.327 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.198 4.358 4.844 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.227 2.918 3.192 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.012 1.667 3.463 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -8.799 1.456 5.827 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -10.081 2.630 5.472 1.00 0.00 H -ATOM 229 HE ARG A 13 -9.804 0.107 3.887 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -11.479 0.016 6.406 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -13.062 0.335 5.780 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -11.906 1.562 2.750 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -13.304 1.213 3.711 1.00 0.00 H -ATOM 234 N ASN A 14 -4.553 5.167 3.425 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.614 6.237 3.874 1.00 0.00 C -ATOM 236 C ASN A 14 -2.409 6.303 2.933 1.00 0.00 C -ATOM 237 O ASN A 14 -1.947 5.295 2.433 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.179 5.815 5.278 1.00 0.00 C -ATOM 239 CG ASN A 14 -3.052 7.052 6.169 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.997 7.445 6.823 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.914 7.688 6.221 1.00 0.00 N -ATOM 242 H ASN A 14 -4.263 4.515 2.750 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.117 7.190 3.912 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.915 5.144 5.696 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.224 5.315 5.224 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -1.152 7.372 5.694 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.820 8.479 6.791 1.00 0.00 H -ATOM 248 N GLU A 15 -1.903 7.485 2.682 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.730 7.623 1.765 1.00 0.00 C -ATOM 250 C GLU A 15 0.544 7.107 2.441 1.00 0.00 C -ATOM 251 O GLU A 15 1.360 6.451 1.822 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.617 9.122 1.480 1.00 0.00 C -ATOM 253 CG GLU A 15 0.165 9.338 0.183 1.00 0.00 C -ATOM 254 CD GLU A 15 0.861 10.700 0.225 1.00 0.00 C -ATOM 255 OE1 GLU A 15 1.970 10.764 0.729 1.00 0.00 O -ATOM 256 OE2 GLU A 15 0.271 11.659 -0.246 1.00 0.00 O -ATOM 257 H GLU A 15 -2.299 8.281 3.094 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.908 7.088 0.846 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.607 9.544 1.378 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.101 9.607 2.295 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.905 8.559 0.077 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.513 9.309 -0.656 1.00 0.00 H -ATOM 263 N LYS A 16 0.721 7.401 3.706 1.00 0.00 N -ATOM 264 CA LYS A 16 1.945 6.936 4.432 1.00 0.00 C -ATOM 265 C LYS A 16 2.096 5.419 4.321 1.00 0.00 C -ATOM 266 O LYS A 16 3.174 4.898 4.107 1.00 0.00 O -ATOM 267 CB LYS A 16 1.729 7.344 5.891 1.00 0.00 C -ATOM 268 CG LYS A 16 1.816 8.870 6.022 1.00 0.00 C -ATOM 269 CD LYS A 16 3.188 9.263 6.573 1.00 0.00 C -ATOM 270 CE LYS A 16 3.220 10.770 6.842 1.00 0.00 C -ATOM 271 NZ LYS A 16 2.662 10.928 8.215 1.00 0.00 N -ATOM 272 H LYS A 16 0.052 7.935 4.177 1.00 0.00 H -ATOM 273 HA LYS A 16 2.806 7.422 4.040 1.00 0.00 H -ATOM 274 HB2 LYS A 16 0.752 7.010 6.213 1.00 0.00 H -ATOM 275 HB3 LYS A 16 2.487 6.886 6.509 1.00 0.00 H -ATOM 276 HG2 LYS A 16 1.674 9.325 5.051 1.00 0.00 H -ATOM 277 HG3 LYS A 16 1.048 9.217 6.696 1.00 0.00 H -ATOM 278 HD2 LYS A 16 3.373 8.729 7.495 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.953 9.013 5.852 1.00 0.00 H -ATOM 280 HE2 LYS A 16 4.237 11.136 6.804 1.00 0.00 H -ATOM 281 HE3 LYS A 16 2.603 11.293 6.129 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 3.311 10.499 8.905 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 1.736 10.458 8.270 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 2.546 11.939 8.428 1.00 0.00 H -ATOM 285 N GLU A 17 1.012 4.719 4.468 1.00 0.00 N -ATOM 286 CA GLU A 17 1.047 3.226 4.377 1.00 0.00 C -ATOM 287 C GLU A 17 1.432 2.787 2.963 1.00 0.00 C -ATOM 288 O GLU A 17 2.444 2.148 2.751 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.380 2.769 4.688 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.699 3.026 6.159 1.00 0.00 C -ATOM 291 CD GLU A 17 0.008 1.983 7.026 1.00 0.00 C -ATOM 292 OE1 GLU A 17 1.214 2.088 7.179 1.00 0.00 O -ATOM 293 OE2 GLU A 17 -0.668 1.097 7.522 1.00 0.00 O -ATOM 294 H GLU A 17 0.170 5.183 4.637 1.00 0.00 H -ATOM 295 HA GLU A 17 1.733 2.817 5.102 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.074 3.319 4.069 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.474 1.715 4.480 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.362 4.015 6.433 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.766 2.953 6.309 1.00 0.00 H -ATOM 300 N LEU A 18 0.614 3.119 2.001 1.00 0.00 N -ATOM 301 CA LEU A 18 0.892 2.722 0.585 1.00 0.00 C -ATOM 302 C LEU A 18 2.278 3.196 0.141 1.00 0.00 C -ATOM 303 O LEU A 18 3.014 2.460 -0.489 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.212 3.400 -0.236 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.391 2.678 -1.572 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.883 1.243 -1.328 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.421 3.432 -2.418 1.00 0.00 C -ATOM 308 H LEU A 18 -0.199 3.624 2.214 1.00 0.00 H -ATOM 309 HA LEU A 18 0.825 1.655 0.485 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.139 3.369 0.316 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.061 4.428 -0.421 1.00 0.00 H -ATOM 312 HG LEU A 18 0.552 2.655 -2.092 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.670 0.951 -0.325 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.384 0.567 -1.998 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.948 1.190 -1.497 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.415 3.199 -2.066 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.325 3.132 -3.452 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.248 4.494 -2.334 1.00 0.00 H -ATOM 319 N ARG A 19 2.642 4.408 0.468 1.00 0.00 N -ATOM 320 CA ARG A 19 3.992 4.915 0.068 1.00 0.00 C -ATOM 321 C ARG A 19 5.092 4.028 0.667 1.00 0.00 C -ATOM 322 O ARG A 19 6.216 4.023 0.198 1.00 0.00 O -ATOM 323 CB ARG A 19 4.079 6.331 0.635 1.00 0.00 C -ATOM 324 CG ARG A 19 3.237 7.282 -0.221 1.00 0.00 C -ATOM 325 CD ARG A 19 4.133 7.983 -1.247 1.00 0.00 C -ATOM 326 NE ARG A 19 4.220 7.037 -2.392 1.00 0.00 N -ATOM 327 CZ ARG A 19 3.514 7.251 -3.470 1.00 0.00 C -ATOM 328 NH1 ARG A 19 2.245 7.536 -3.372 1.00 0.00 N -ATOM 329 NH2 ARG A 19 4.079 7.180 -4.645 1.00 0.00 N -ATOM 330 H ARG A 19 2.033 4.980 0.983 1.00 0.00 H -ATOM 331 HA ARG A 19 4.077 4.943 -1.005 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.708 6.335 1.649 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.108 6.657 0.626 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.470 6.720 -0.736 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.776 8.021 0.415 1.00 0.00 H -ATOM 336 HD2 ARG A 19 3.684 8.916 -1.559 1.00 0.00 H -ATOM 337 HD3 ARG A 19 5.114 8.155 -0.833 1.00 0.00 H -ATOM 338 HE ARG A 19 4.807 6.254 -2.339 1.00 0.00 H -ATOM 339 HH11 ARG A 19 1.812 7.592 -2.472 1.00 0.00 H -ATOM 340 HH12 ARG A 19 1.703 7.700 -4.197 1.00 0.00 H -ATOM 341 HH21 ARG A 19 5.051 6.962 -4.719 1.00 0.00 H -ATOM 342 HH22 ARG A 19 3.538 7.343 -5.470 1.00 0.00 H -ATOM 343 N ASP A 20 4.777 3.281 1.699 1.00 0.00 N -ATOM 344 CA ASP A 20 5.800 2.395 2.328 1.00 0.00 C -ATOM 345 C ASP A 20 5.600 0.941 1.882 1.00 0.00 C -ATOM 346 O ASP A 20 6.544 0.176 1.813 1.00 0.00 O -ATOM 347 CB ASP A 20 5.565 2.531 3.834 1.00 0.00 C -ATOM 348 CG ASP A 20 6.469 3.631 4.393 1.00 0.00 C -ATOM 349 OD1 ASP A 20 6.176 4.789 4.151 1.00 0.00 O -ATOM 350 OD2 ASP A 20 7.438 3.294 5.053 1.00 0.00 O -ATOM 351 H ASP A 20 3.869 3.302 2.060 1.00 0.00 H -ATOM 352 HA ASP A 20 6.793 2.732 2.080 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.530 2.786 4.016 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.797 1.595 4.320 1.00 0.00 H -ATOM 355 N PHE A 21 4.382 0.554 1.581 1.00 0.00 N -ATOM 356 CA PHE A 21 4.133 -0.854 1.144 1.00 0.00 C -ATOM 357 C PHE A 21 4.834 -1.142 -0.192 1.00 0.00 C -ATOM 358 O PHE A 21 5.824 -1.846 -0.242 1.00 0.00 O -ATOM 359 CB PHE A 21 2.619 -0.992 0.985 1.00 0.00 C -ATOM 360 CG PHE A 21 2.339 -2.411 0.568 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.307 -3.402 1.542 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.151 -2.737 -0.782 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.072 -4.733 1.182 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.920 -4.068 -1.148 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.876 -5.067 -0.164 1.00 0.00 C -ATOM 366 H PHE A 21 3.637 1.188 1.646 1.00 0.00 H -ATOM 367 HA PHE A 21 4.469 -1.551 1.901 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.144 -0.791 1.926 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.243 -0.308 0.245 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.474 -3.135 2.575 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.187 -1.963 -1.541 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.038 -5.502 1.940 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.780 -4.326 -2.186 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.698 -6.095 -0.446 1.00 0.00 H -ATOM 375 N ILE A 22 4.307 -0.613 -1.273 1.00 0.00 N -ATOM 376 CA ILE A 22 4.910 -0.853 -2.628 1.00 0.00 C -ATOM 377 C ILE A 22 6.423 -0.606 -2.581 1.00 0.00 C -ATOM 378 O ILE A 22 7.193 -1.243 -3.273 1.00 0.00 O -ATOM 379 CB ILE A 22 4.221 0.147 -3.563 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.734 -0.205 -3.664 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.840 0.050 -4.959 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.903 0.761 -2.831 1.00 0.00 C -ATOM 383 H ILE A 22 3.505 -0.065 -1.192 1.00 0.00 H -ATOM 384 HA ILE A 22 4.690 -1.857 -2.962 1.00 0.00 H -ATOM 385 HB ILE A 22 4.339 1.149 -3.176 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.420 -0.145 -4.694 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.578 -1.207 -3.299 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.410 0.805 -5.596 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.633 -0.929 -5.367 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.907 0.196 -4.891 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.568 0.257 -1.935 1.00 0.00 H -ATOM 392 HD12 ILE A 22 1.046 1.082 -3.402 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.500 1.619 -2.560 1.00 0.00 H -ATOM 394 N GLU A 23 6.837 0.312 -1.747 1.00 0.00 N -ATOM 395 CA GLU A 23 8.297 0.607 -1.617 1.00 0.00 C -ATOM 396 C GLU A 23 9.021 -0.643 -1.117 1.00 0.00 C -ATOM 397 O GLU A 23 10.107 -0.965 -1.560 1.00 0.00 O -ATOM 398 CB GLU A 23 8.393 1.735 -0.587 1.00 0.00 C -ATOM 399 CG GLU A 23 9.721 2.475 -0.762 1.00 0.00 C -ATOM 400 CD GLU A 23 10.137 3.098 0.572 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.569 4.116 0.932 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.018 2.547 1.212 1.00 0.00 O -ATOM 403 H GLU A 23 6.182 0.795 -1.196 1.00 0.00 H -ATOM 404 HA GLU A 23 8.704 0.928 -2.562 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.574 2.425 -0.730 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.345 1.318 0.408 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.480 1.779 -1.088 1.00 0.00 H -ATOM 408 HG3 GLU A 23 9.604 3.255 -1.500 1.00 0.00 H -ATOM 409 N LYS A 24 8.407 -1.358 -0.209 1.00 0.00 N -ATOM 410 CA LYS A 24 9.030 -2.604 0.318 1.00 0.00 C -ATOM 411 C LYS A 24 8.687 -3.767 -0.615 1.00 0.00 C -ATOM 412 O LYS A 24 9.554 -4.497 -1.058 1.00 0.00 O -ATOM 413 CB LYS A 24 8.402 -2.812 1.698 1.00 0.00 C -ATOM 414 CG LYS A 24 9.011 -4.049 2.359 1.00 0.00 C -ATOM 415 CD LYS A 24 10.446 -3.745 2.795 1.00 0.00 C -ATOM 416 CE LYS A 24 11.301 -5.006 2.657 1.00 0.00 C -ATOM 417 NZ LYS A 24 12.243 -4.959 3.809 1.00 0.00 N -ATOM 418 H LYS A 24 7.525 -1.078 0.116 1.00 0.00 H -ATOM 419 HA LYS A 24 10.097 -2.488 0.405 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.591 -1.944 2.313 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.336 -2.952 1.591 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.422 -4.320 3.224 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.016 -4.868 1.656 1.00 0.00 H -ATOM 424 HD2 LYS A 24 10.854 -2.963 2.171 1.00 0.00 H -ATOM 425 HD3 LYS A 24 10.450 -3.421 3.825 1.00 0.00 H -ATOM 426 HE2 LYS A 24 10.678 -5.889 2.713 1.00 0.00 H -ATOM 427 HE3 LYS A 24 11.851 -4.990 1.730 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 11.707 -5.017 4.699 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 12.776 -4.068 3.786 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 12.904 -5.761 3.750 1.00 0.00 H -ATOM 431 N PHE A 25 7.423 -3.932 -0.924 1.00 0.00 N -ATOM 432 CA PHE A 25 7.006 -5.025 -1.834 1.00 0.00 C -ATOM 433 C PHE A 25 6.921 -4.499 -3.270 1.00 0.00 C -ATOM 434 O PHE A 25 5.868 -4.500 -3.882 1.00 0.00 O -ATOM 435 CB PHE A 25 5.630 -5.464 -1.324 1.00 0.00 C -ATOM 436 CG PHE A 25 5.148 -6.664 -2.105 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.980 -7.778 -2.281 1.00 0.00 C -ATOM 438 CD2 PHE A 25 3.861 -6.661 -2.648 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.522 -8.886 -3.004 1.00 0.00 C -ATOM 440 CE2 PHE A 25 3.401 -7.769 -3.370 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.232 -8.881 -3.548 1.00 0.00 C -ATOM 442 H PHE A 25 6.752 -3.332 -0.561 1.00 0.00 H -ATOM 443 HA PHE A 25 7.699 -5.837 -1.768 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.701 -5.723 -0.278 1.00 0.00 H -ATOM 445 HB3 PHE A 25 4.927 -4.654 -1.446 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.975 -7.780 -1.862 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.221 -5.802 -2.511 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.164 -9.744 -3.142 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.406 -7.766 -3.788 1.00 0.00 H -ATOM 450 HZ PHE A 25 3.877 -9.737 -4.105 1.00 0.00 H -ATOM 451 N LYS A 26 8.026 -4.042 -3.805 1.00 0.00 N -ATOM 452 CA LYS A 26 8.030 -3.500 -5.203 1.00 0.00 C -ATOM 453 C LYS A 26 7.519 -4.536 -6.208 1.00 0.00 C -ATOM 454 O LYS A 26 7.120 -4.198 -7.307 1.00 0.00 O -ATOM 455 CB LYS A 26 9.493 -3.154 -5.494 1.00 0.00 C -ATOM 456 CG LYS A 26 9.868 -1.860 -4.769 1.00 0.00 C -ATOM 457 CD LYS A 26 10.882 -1.078 -5.606 1.00 0.00 C -ATOM 458 CE LYS A 26 12.198 -1.856 -5.676 1.00 0.00 C -ATOM 459 NZ LYS A 26 13.225 -0.842 -6.044 1.00 0.00 N -ATOM 460 H LYS A 26 8.855 -4.047 -3.281 1.00 0.00 H -ATOM 461 HA LYS A 26 7.430 -2.614 -5.254 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.126 -3.959 -5.150 1.00 0.00 H -ATOM 463 HB3 LYS A 26 9.626 -3.020 -6.557 1.00 0.00 H -ATOM 464 HG2 LYS A 26 8.982 -1.260 -4.623 1.00 0.00 H -ATOM 465 HG3 LYS A 26 10.303 -2.099 -3.810 1.00 0.00 H -ATOM 466 HD2 LYS A 26 10.492 -0.938 -6.604 1.00 0.00 H -ATOM 467 HD3 LYS A 26 11.058 -0.115 -5.150 1.00 0.00 H -ATOM 468 HE2 LYS A 26 12.426 -2.294 -4.713 1.00 0.00 H -ATOM 469 HE3 LYS A 26 12.144 -2.620 -6.434 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 14.115 -1.324 -6.287 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 13.385 -0.202 -5.241 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 12.894 -0.293 -6.862 1.00 0.00 H -ATOM 473 N GLY A 27 7.530 -5.790 -5.844 1.00 0.00 N -ATOM 474 CA GLY A 27 7.047 -6.853 -6.775 1.00 0.00 C -ATOM 475 C GLY A 27 5.541 -7.057 -6.591 1.00 0.00 C -ATOM 476 O GLY A 27 5.074 -8.167 -6.414 1.00 0.00 O -ATOM 477 H GLY A 27 7.856 -6.031 -4.961 1.00 0.00 H -ATOM 478 HA2 GLY A 27 7.249 -6.558 -7.794 1.00 0.00 H -ATOM 479 HA3 GLY A 27 7.560 -7.779 -6.560 1.00 0.00 H -ATOM 480 N ARG A 28 4.780 -5.993 -6.634 1.00 0.00 N -ATOM 481 CA ARG A 28 3.299 -6.116 -6.465 1.00 0.00 C -ATOM 482 C ARG A 28 2.673 -6.738 -7.718 1.00 0.00 C -ATOM 483 O ARG A 28 1.491 -7.040 -7.677 1.00 0.00 O -ATOM 484 CB ARG A 28 2.794 -4.681 -6.259 1.00 0.00 C -ATOM 485 CG ARG A 28 3.172 -3.807 -7.465 1.00 0.00 C -ATOM 486 CD ARG A 28 1.925 -3.507 -8.302 1.00 0.00 C -ATOM 487 NE ARG A 28 2.083 -2.091 -8.733 1.00 0.00 N -ATOM 488 CZ ARG A 28 2.486 -1.819 -9.945 1.00 0.00 C -ATOM 489 NH1 ARG A 28 1.664 -1.947 -10.951 1.00 0.00 N -ATOM 490 NH2 ARG A 28 3.713 -1.423 -10.151 1.00 0.00 N -ATOM 491 OXT ARG A 28 3.386 -6.901 -8.694 1.00 0.00 O -ATOM 492 H ARG A 28 5.185 -5.115 -6.777 1.00 0.00 H -ATOM 493 HA ARG A 28 3.069 -6.712 -5.597 1.00 0.00 H -ATOM 494 HB2 ARG A 28 1.720 -4.694 -6.143 1.00 0.00 H -ATOM 495 HB3 ARG A 28 3.244 -4.271 -5.368 1.00 0.00 H -ATOM 496 HG2 ARG A 28 3.600 -2.879 -7.114 1.00 0.00 H -ATOM 497 HG3 ARG A 28 3.895 -4.326 -8.078 1.00 0.00 H -ATOM 498 HD2 ARG A 28 1.882 -4.163 -9.161 1.00 0.00 H -ATOM 499 HD3 ARG A 28 1.034 -3.614 -7.701 1.00 0.00 H -ATOM 500 HE ARG A 28 1.885 -1.363 -8.108 1.00 0.00 H -ATOM 501 HH11 ARG A 28 0.725 -2.252 -10.793 1.00 0.00 H -ATOM 502 HH12 ARG A 28 1.974 -1.738 -11.879 1.00 0.00 H -ATOM 503 HH21 ARG A 28 4.343 -1.326 -9.380 1.00 0.00 H -ATOM 504 HH22 ARG A 28 4.022 -1.215 -11.079 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 11 -ATOM 1 N GLU A 1 -10.658 6.121 6.162 1.00 0.00 N -ATOM 2 CA GLU A 1 -11.750 6.505 5.223 1.00 0.00 C -ATOM 3 C GLU A 1 -11.161 7.072 3.929 1.00 0.00 C -ATOM 4 O GLU A 1 -11.657 8.040 3.383 1.00 0.00 O -ATOM 5 CB GLU A 1 -12.555 7.575 5.965 1.00 0.00 C -ATOM 6 CG GLU A 1 -13.792 6.941 6.619 1.00 0.00 C -ATOM 7 CD GLU A 1 -15.064 7.452 5.935 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -15.479 8.555 6.250 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.599 6.732 5.109 1.00 0.00 O -ATOM 10 H1 GLU A 1 -10.174 5.272 5.806 1.00 0.00 H -ATOM 11 H2 GLU A 1 -11.062 5.922 7.101 1.00 0.00 H -ATOM 12 H3 GLU A 1 -9.974 6.901 6.236 1.00 0.00 H -ATOM 13 HA GLU A 1 -12.379 5.655 5.010 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -11.934 8.022 6.728 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -12.866 8.338 5.266 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -13.743 5.865 6.525 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -13.819 7.208 7.665 1.00 0.00 H -ATOM 18 N GLN A 2 -10.109 6.471 3.435 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.479 6.963 2.174 1.00 0.00 C -ATOM 20 C GLN A 2 -9.749 5.974 1.036 1.00 0.00 C -ATOM 21 O GLN A 2 -10.558 5.075 1.164 1.00 0.00 O -ATOM 22 CB GLN A 2 -7.974 7.041 2.478 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.493 8.490 2.352 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.513 9.157 3.728 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -8.546 9.233 4.363 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -6.408 9.646 4.219 1.00 0.00 N -ATOM 27 H GLN A 2 -9.732 5.692 3.895 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.859 7.940 1.918 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -7.790 6.688 3.482 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.431 6.424 1.776 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -6.486 8.501 1.960 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -8.146 9.030 1.683 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -5.575 9.584 3.707 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -6.410 10.075 5.099 1.00 0.00 H -ATOM 35 N TYR A 3 -9.079 6.141 -0.077 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.279 5.222 -1.247 1.00 0.00 C -ATOM 37 C TYR A 3 -9.248 3.745 -0.829 1.00 0.00 C -ATOM 38 O TYR A 3 -8.789 3.404 0.245 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.143 5.540 -2.232 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.811 5.640 -1.523 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.280 4.541 -0.842 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.115 6.850 -1.548 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.055 4.654 -0.188 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.888 6.965 -0.893 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.355 5.866 -0.212 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.141 5.977 0.433 1.00 0.00 O -ATOM 47 H TYR A 3 -8.441 6.880 -0.151 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.213 5.443 -1.714 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.090 4.766 -2.982 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.356 6.484 -2.709 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.812 3.604 -0.818 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.526 7.699 -2.075 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.653 3.807 0.337 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.355 7.899 -0.911 1.00 0.00 H -ATOM 55 HH TYR A 3 -3.094 6.850 0.831 1.00 0.00 H -ATOM 56 N THR A 4 -9.744 2.873 -1.672 1.00 0.00 N -ATOM 57 CA THR A 4 -9.760 1.419 -1.334 1.00 0.00 C -ATOM 58 C THR A 4 -8.687 0.668 -2.128 1.00 0.00 C -ATOM 59 O THR A 4 -8.876 -0.467 -2.523 1.00 0.00 O -ATOM 60 CB THR A 4 -11.155 0.935 -1.732 1.00 0.00 C -ATOM 61 OG1 THR A 4 -12.125 1.867 -1.276 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.423 -0.432 -1.102 1.00 0.00 C -ATOM 63 H THR A 4 -10.113 3.178 -2.527 1.00 0.00 H -ATOM 64 HA THR A 4 -9.612 1.277 -0.275 1.00 0.00 H -ATOM 65 HB THR A 4 -11.214 0.849 -2.806 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.381 2.418 -2.020 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.799 -0.299 -0.098 1.00 0.00 H -ATOM 68 HG22 THR A 4 -10.504 -1.000 -1.070 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.154 -0.963 -1.693 1.00 0.00 H -ATOM 70 N ALA A 5 -7.558 1.294 -2.362 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.456 0.627 -3.127 1.00 0.00 C -ATOM 72 C ALA A 5 -6.120 -0.729 -2.520 1.00 0.00 C -ATOM 73 O ALA A 5 -5.845 -0.818 -1.345 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.246 1.543 -2.979 1.00 0.00 C -ATOM 75 H ALA A 5 -7.435 2.204 -2.034 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.723 0.531 -4.164 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.575 2.549 -2.770 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.675 1.528 -3.895 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.626 1.184 -2.160 1.00 0.00 H -ATOM 80 N LYS A 6 -6.118 -1.767 -3.307 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.778 -3.116 -2.758 1.00 0.00 C -ATOM 82 C LYS A 6 -4.483 -3.641 -3.377 1.00 0.00 C -ATOM 83 O LYS A 6 -4.230 -3.478 -4.556 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.953 -4.035 -3.105 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.261 -3.971 -4.605 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.921 -5.282 -5.052 1.00 0.00 C -ATOM 87 CE LYS A 6 -9.070 -4.981 -6.018 1.00 0.00 C -ATOM 88 NZ LYS A 6 -8.417 -4.403 -7.224 1.00 0.00 N -ATOM 89 H LYS A 6 -6.324 -1.658 -4.257 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.672 -3.058 -1.687 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.695 -5.048 -2.834 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.824 -3.726 -2.547 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.928 -3.145 -4.797 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.344 -3.827 -5.156 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.187 -5.901 -5.548 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.307 -5.806 -4.189 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -9.597 -5.891 -6.271 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -9.747 -4.261 -5.584 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -9.130 -4.263 -7.970 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -7.681 -5.052 -7.566 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -7.984 -3.489 -6.982 1.00 0.00 H -ATOM 102 N TYR A 7 -3.665 -4.271 -2.578 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.377 -4.821 -3.092 1.00 0.00 C -ATOM 104 C TYR A 7 -2.218 -6.274 -2.647 1.00 0.00 C -ATOM 105 O TYR A 7 -2.092 -6.565 -1.474 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.281 -3.954 -2.482 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.320 -2.605 -3.115 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.321 -1.704 -2.763 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.346 -2.257 -4.042 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.356 -0.441 -3.343 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.365 -0.995 -4.629 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.373 -0.076 -4.281 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.397 1.177 -4.857 1.00 0.00 O -ATOM 114 H TYR A 7 -3.904 -4.387 -1.635 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.340 -4.744 -4.168 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.431 -3.851 -1.427 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.321 -4.400 -2.666 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -3.073 -1.992 -2.044 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.418 -2.972 -4.309 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -3.130 0.262 -3.054 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.399 -0.727 -5.341 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.986 1.143 -5.615 1.00 0.00 H -ATOM 123 N LYS A 8 -2.224 -7.186 -3.581 1.00 0.00 N -ATOM 124 CA LYS A 8 -2.071 -8.639 -3.243 1.00 0.00 C -ATOM 125 C LYS A 8 -3.100 -9.083 -2.189 1.00 0.00 C -ATOM 126 O LYS A 8 -2.908 -10.077 -1.513 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.648 -8.784 -2.700 1.00 0.00 C -ATOM 128 CG LYS A 8 0.353 -8.417 -3.800 1.00 0.00 C -ATOM 129 CD LYS A 8 0.323 -9.482 -4.907 1.00 0.00 C -ATOM 130 CE LYS A 8 1.620 -10.296 -4.881 1.00 0.00 C -ATOM 131 NZ LYS A 8 1.935 -10.558 -6.313 1.00 0.00 N -ATOM 132 H LYS A 8 -2.325 -6.913 -4.518 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.179 -9.238 -4.134 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.515 -8.122 -1.856 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.480 -9.804 -2.390 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.086 -7.457 -4.218 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.345 -8.361 -3.378 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.518 -10.143 -4.753 1.00 0.00 H -ATOM 139 HD3 LYS A 8 0.226 -8.997 -5.866 1.00 0.00 H -ATOM 140 HE2 LYS A 8 2.411 -9.723 -4.418 1.00 0.00 H -ATOM 141 HE3 LYS A 8 1.470 -11.227 -4.359 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 1.105 -10.974 -6.780 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 2.737 -11.220 -6.375 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 2.184 -9.665 -6.783 1.00 0.00 H -ATOM 145 N GLY A 9 -4.193 -8.369 -2.055 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.235 -8.768 -1.058 1.00 0.00 C -ATOM 147 C GLY A 9 -5.164 -7.877 0.186 1.00 0.00 C -ATOM 148 O GLY A 9 -5.452 -8.317 1.284 1.00 0.00 O -ATOM 149 H GLY A 9 -4.333 -7.581 -2.620 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.212 -8.672 -1.509 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.075 -9.795 -0.768 1.00 0.00 H -ATOM 152 N ARG A 10 -4.788 -6.634 0.028 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.703 -5.717 1.207 1.00 0.00 C -ATOM 154 C ARG A 10 -5.111 -4.297 0.805 1.00 0.00 C -ATOM 155 O ARG A 10 -4.410 -3.630 0.067 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.235 -5.750 1.629 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.862 -7.171 2.056 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.448 -7.172 2.637 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.112 -8.610 2.825 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.103 -9.132 2.184 1.00 0.00 C -ATOM 161 NH1 ARG A 10 1.108 -8.988 2.646 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -0.305 -9.800 1.079 1.00 0.00 N -ATOM 163 H ARG A 10 -4.561 -6.302 -0.865 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.327 -6.075 2.011 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.614 -5.447 0.799 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.083 -5.076 2.459 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.560 -7.517 2.804 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.896 -7.824 1.199 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.759 -6.708 1.944 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.430 -6.661 3.587 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.649 -9.164 3.429 1.00 0.00 H -ATOM 172 HH11 ARG A 10 1.263 -8.479 3.492 1.00 0.00 H -ATOM 173 HH12 ARG A 10 1.882 -9.389 2.155 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -1.233 -9.911 0.725 1.00 0.00 H -ATOM 175 HH22 ARG A 10 0.469 -10.199 0.589 1.00 0.00 H -ATOM 176 N THR A 11 -6.239 -3.831 1.286 1.00 0.00 N -ATOM 177 CA THR A 11 -6.691 -2.451 0.927 1.00 0.00 C -ATOM 178 C THR A 11 -5.799 -1.403 1.608 1.00 0.00 C -ATOM 179 O THR A 11 -5.077 -1.709 2.538 1.00 0.00 O -ATOM 180 CB THR A 11 -8.126 -2.337 1.442 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.892 -3.430 0.952 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.735 -1.021 0.952 1.00 0.00 C -ATOM 183 H THR A 11 -6.785 -4.388 1.879 1.00 0.00 H -ATOM 184 HA THR A 11 -6.680 -2.330 -0.139 1.00 0.00 H -ATOM 185 HB THR A 11 -8.128 -2.350 2.521 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.965 -4.080 1.653 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.765 -0.959 1.270 1.00 0.00 H -ATOM 188 HG22 THR A 11 -8.690 -0.982 -0.128 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.180 -0.189 1.364 1.00 0.00 H -ATOM 190 N PHE A 12 -5.849 -0.169 1.157 1.00 0.00 N -ATOM 191 CA PHE A 12 -5.009 0.894 1.792 1.00 0.00 C -ATOM 192 C PHE A 12 -5.842 2.143 2.080 1.00 0.00 C -ATOM 193 O PHE A 12 -6.435 2.725 1.195 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.890 1.200 0.787 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.843 0.140 0.927 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -3.038 -1.071 0.281 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.699 0.351 1.714 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.094 -2.088 0.407 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.742 -0.667 1.831 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.941 -1.888 1.176 1.00 0.00 C -ATOM 201 H PHE A 12 -6.442 0.056 0.411 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.576 0.523 2.708 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.279 1.182 -0.230 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.461 2.166 1.000 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.919 -1.211 -0.334 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.553 1.296 2.220 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.256 -3.028 -0.083 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.156 -0.507 2.413 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.211 -2.678 1.272 1.00 0.00 H -ATOM 210 N ARG A 13 -5.879 2.557 3.319 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.659 3.772 3.691 1.00 0.00 C -ATOM 212 C ARG A 13 -5.705 4.827 4.256 1.00 0.00 C -ATOM 213 O ARG A 13 -6.030 5.541 5.186 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.645 3.303 4.763 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.778 2.511 4.106 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.517 1.696 5.170 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.797 1.292 4.524 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.099 0.027 4.407 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -11.164 -0.731 5.468 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -11.336 -0.480 3.228 1.00 0.00 N -ATOM 221 H ARG A 13 -5.386 2.067 4.010 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.191 4.159 2.837 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.130 2.674 5.475 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.057 4.161 5.273 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.467 3.195 3.632 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.367 1.843 3.365 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -8.938 0.824 5.443 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.717 2.304 6.040 1.00 0.00 H -ATOM 229 HE ARG A 13 -11.413 1.975 4.188 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -10.982 -0.342 6.372 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -11.397 -1.699 5.378 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -11.286 0.100 2.415 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -11.569 -1.448 3.138 1.00 0.00 H -ATOM 234 N ASN A 14 -4.527 4.918 3.697 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.528 5.912 4.187 1.00 0.00 C -ATOM 236 C ASN A 14 -2.419 6.091 3.142 1.00 0.00 C -ATOM 237 O ASN A 14 -2.023 5.153 2.476 1.00 0.00 O -ATOM 238 CB ASN A 14 -2.984 5.308 5.487 1.00 0.00 C -ATOM 239 CG ASN A 14 -1.850 6.169 6.038 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -0.712 5.749 6.077 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.121 7.365 6.470 1.00 0.00 N -ATOM 242 H ASN A 14 -4.295 4.323 2.951 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.008 6.857 4.391 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.779 5.267 6.216 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.617 4.311 5.295 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -3.043 7.694 6.437 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.408 7.933 6.827 1.00 0.00 H -ATOM 248 N GLU A 15 -1.926 7.292 2.996 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.851 7.557 1.991 1.00 0.00 C -ATOM 250 C GLU A 15 0.493 7.000 2.469 1.00 0.00 C -ATOM 251 O GLU A 15 1.195 6.340 1.727 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.790 9.080 1.873 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.118 9.467 0.555 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.577 10.865 0.139 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -1.754 11.152 0.292 1.00 0.00 O -ATOM 256 OE2 GLU A 15 0.254 11.626 -0.327 1.00 0.00 O -ATOM 257 H GLU A 15 -2.271 8.028 3.547 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.117 7.128 1.038 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.794 9.482 1.898 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.221 9.483 2.698 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.954 9.461 0.682 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.395 8.757 -0.211 1.00 0.00 H -ATOM 263 N LYS A 16 0.860 7.267 3.699 1.00 0.00 N -ATOM 264 CA LYS A 16 2.167 6.763 4.229 1.00 0.00 C -ATOM 265 C LYS A 16 2.278 5.249 4.055 1.00 0.00 C -ATOM 266 O LYS A 16 3.316 4.722 3.701 1.00 0.00 O -ATOM 267 CB LYS A 16 2.167 7.130 5.713 1.00 0.00 C -ATOM 268 CG LYS A 16 2.181 8.654 5.865 1.00 0.00 C -ATOM 269 CD LYS A 16 2.250 9.023 7.351 1.00 0.00 C -ATOM 270 CE LYS A 16 3.702 9.307 7.748 1.00 0.00 C -ATOM 271 NZ LYS A 16 4.141 8.097 8.498 1.00 0.00 N -ATOM 272 H LYS A 16 0.280 7.807 4.270 1.00 0.00 H -ATOM 273 HA LYS A 16 2.972 7.252 3.733 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.280 6.728 6.180 1.00 0.00 H -ATOM 275 HB3 LYS A 16 3.044 6.714 6.187 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.043 9.057 5.353 1.00 0.00 H -ATOM 277 HG3 LYS A 16 1.282 9.067 5.436 1.00 0.00 H -ATOM 278 HD2 LYS A 16 1.649 9.903 7.529 1.00 0.00 H -ATOM 279 HD3 LYS A 16 1.871 8.204 7.943 1.00 0.00 H -ATOM 280 HE2 LYS A 16 4.313 9.449 6.866 1.00 0.00 H -ATOM 281 HE3 LYS A 16 3.755 10.175 8.386 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 5.171 8.128 8.635 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 3.892 7.244 7.959 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 3.668 8.074 9.425 1.00 0.00 H -ATOM 285 N GLU A 17 1.207 4.559 4.301 1.00 0.00 N -ATOM 286 CA GLU A 17 1.209 3.069 4.157 1.00 0.00 C -ATOM 287 C GLU A 17 1.519 2.679 2.710 1.00 0.00 C -ATOM 288 O GLU A 17 2.489 2.003 2.428 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.210 2.626 4.520 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.359 2.554 6.038 1.00 0.00 C -ATOM 291 CD GLU A 17 0.382 1.325 6.568 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.294 0.286 5.936 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.026 1.444 7.599 1.00 0.00 O -ATOM 294 H GLU A 17 0.397 5.028 4.581 1.00 0.00 H -ATOM 295 HA GLU A 17 1.921 2.622 4.832 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -0.920 3.336 4.122 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.400 1.651 4.097 1.00 0.00 H -ATOM 298 HG2 GLU A 17 0.055 3.447 6.483 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.405 2.476 6.290 1.00 0.00 H -ATOM 300 N LEU A 18 0.683 3.097 1.795 1.00 0.00 N -ATOM 301 CA LEU A 18 0.890 2.757 0.352 1.00 0.00 C -ATOM 302 C LEU A 18 2.267 3.218 -0.125 1.00 0.00 C -ATOM 303 O LEU A 18 2.996 2.467 -0.746 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.227 3.502 -0.391 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.569 2.783 -1.700 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -1.076 1.360 -1.407 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.658 3.572 -2.432 1.00 0.00 C -ATOM 308 H LEU A 18 -0.093 3.630 2.064 1.00 0.00 H -ATOM 309 HA LEU A 18 0.791 1.697 0.205 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.106 3.543 0.235 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.101 4.507 -0.612 1.00 0.00 H -ATOM 312 HG LEU A 18 0.311 2.735 -2.318 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.883 1.109 -0.387 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.571 0.650 -2.043 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -2.138 1.305 -1.590 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.484 3.753 -1.760 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -2.005 3.003 -3.283 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.254 4.515 -2.770 1.00 0.00 H -ATOM 319 N ARG A 19 2.636 4.439 0.167 1.00 0.00 N -ATOM 320 CA ARG A 19 3.979 4.937 -0.266 1.00 0.00 C -ATOM 321 C ARG A 19 5.088 4.053 0.322 1.00 0.00 C -ATOM 322 O ARG A 19 6.200 4.032 -0.175 1.00 0.00 O -ATOM 323 CB ARG A 19 4.078 6.364 0.278 1.00 0.00 C -ATOM 324 CG ARG A 19 3.120 7.282 -0.497 1.00 0.00 C -ATOM 325 CD ARG A 19 3.838 8.582 -0.890 1.00 0.00 C -ATOM 326 NE ARG A 19 3.767 8.632 -2.378 1.00 0.00 N -ATOM 327 CZ ARG A 19 2.879 9.389 -2.963 1.00 0.00 C -ATOM 328 NH1 ARG A 19 1.654 9.424 -2.516 1.00 0.00 N -ATOM 329 NH2 ARG A 19 3.217 10.112 -3.996 1.00 0.00 N -ATOM 330 H ARG A 19 2.034 5.023 0.675 1.00 0.00 H -ATOM 331 HA ARG A 19 4.043 4.948 -1.342 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.813 6.367 1.325 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.090 6.720 0.163 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.775 6.776 -1.388 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.273 7.521 0.128 1.00 0.00 H -ATOM 336 HD2 ARG A 19 3.330 9.434 -0.460 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.869 8.558 -0.571 1.00 0.00 H -ATOM 338 HE ARG A 19 4.386 8.096 -2.916 1.00 0.00 H -ATOM 339 HH11 ARG A 19 1.395 8.870 -1.724 1.00 0.00 H -ATOM 340 HH12 ARG A 19 0.973 10.004 -2.963 1.00 0.00 H -ATOM 341 HH21 ARG A 19 4.156 10.086 -4.339 1.00 0.00 H -ATOM 342 HH22 ARG A 19 2.537 10.692 -4.445 1.00 0.00 H -ATOM 343 N ASP A 20 4.793 3.321 1.371 1.00 0.00 N -ATOM 344 CA ASP A 20 5.823 2.436 1.986 1.00 0.00 C -ATOM 345 C ASP A 20 5.622 0.986 1.527 1.00 0.00 C -ATOM 346 O ASP A 20 6.574 0.242 1.382 1.00 0.00 O -ATOM 347 CB ASP A 20 5.601 2.556 3.494 1.00 0.00 C -ATOM 348 CG ASP A 20 6.198 3.874 3.995 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.234 4.263 3.484 1.00 0.00 O -ATOM 350 OD2 ASP A 20 5.607 4.470 4.881 1.00 0.00 O -ATOM 351 H ASP A 20 3.893 3.353 1.753 1.00 0.00 H -ATOM 352 HA ASP A 20 6.814 2.777 1.732 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.541 2.537 3.705 1.00 0.00 H -ATOM 354 HB3 ASP A 20 6.083 1.731 3.997 1.00 0.00 H -ATOM 355 N PHE A 21 4.394 0.578 1.300 1.00 0.00 N -ATOM 356 CA PHE A 21 4.146 -0.828 0.850 1.00 0.00 C -ATOM 357 C PHE A 21 4.787 -1.076 -0.524 1.00 0.00 C -ATOM 358 O PHE A 21 5.796 -1.743 -0.634 1.00 0.00 O -ATOM 359 CB PHE A 21 2.625 -0.988 0.764 1.00 0.00 C -ATOM 360 CG PHE A 21 2.343 -2.391 0.294 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.407 -3.434 1.212 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.059 -2.648 -1.052 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.175 -4.749 0.795 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.829 -3.963 -1.474 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.883 -5.014 -0.549 1.00 0.00 C -ATOM 366 H PHE A 21 3.642 1.194 1.424 1.00 0.00 H -ATOM 367 HA PHE A 21 4.533 -1.533 1.577 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.196 -0.840 1.737 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.200 -0.278 0.077 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.647 -3.218 2.242 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.019 -1.833 -1.765 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.217 -5.559 1.510 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.613 -4.166 -2.512 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.706 -6.029 -0.874 1.00 0.00 H -ATOM 375 N ILE A 22 4.186 -0.551 -1.569 1.00 0.00 N -ATOM 376 CA ILE A 22 4.725 -0.746 -2.959 1.00 0.00 C -ATOM 377 C ILE A 22 6.236 -0.478 -2.982 1.00 0.00 C -ATOM 378 O ILE A 22 6.978 -1.068 -3.743 1.00 0.00 O -ATOM 379 CB ILE A 22 3.975 0.275 -3.824 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.490 -0.099 -3.871 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.528 0.248 -5.251 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.681 0.829 -2.974 1.00 0.00 C -ATOM 383 H ILE A 22 3.373 -0.031 -1.436 1.00 0.00 H -ATOM 384 HA ILE A 22 4.501 -1.743 -3.311 1.00 0.00 H -ATOM 385 HB ILE A 22 4.094 1.263 -3.405 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.130 -0.014 -4.884 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.366 -1.114 -3.532 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.072 1.037 -5.828 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.295 -0.708 -5.698 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.597 0.386 -5.228 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.400 0.300 -2.074 1.00 0.00 H -ATOM 392 HD12 ILE A 22 0.789 1.142 -3.496 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.271 1.696 -2.717 1.00 0.00 H -ATOM 394 N GLU A 23 6.679 0.407 -2.131 1.00 0.00 N -ATOM 395 CA GLU A 23 8.135 0.728 -2.064 1.00 0.00 C -ATOM 396 C GLU A 23 8.865 -0.363 -1.279 1.00 0.00 C -ATOM 397 O GLU A 23 9.979 -0.732 -1.601 1.00 0.00 O -ATOM 398 CB GLU A 23 8.217 2.068 -1.330 1.00 0.00 C -ATOM 399 CG GLU A 23 9.584 2.710 -1.581 1.00 0.00 C -ATOM 400 CD GLU A 23 10.057 3.423 -0.312 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.302 4.227 0.209 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.168 3.154 0.116 1.00 0.00 O -ATOM 403 H GLU A 23 6.047 0.856 -1.527 1.00 0.00 H -ATOM 404 HA GLU A 23 8.548 0.820 -3.056 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.438 2.723 -1.693 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.085 1.905 -0.271 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.298 1.944 -1.851 1.00 0.00 H -ATOM 408 HG3 GLU A 23 9.502 3.426 -2.384 1.00 0.00 H -ATOM 409 N LYS A 24 8.236 -0.887 -0.257 1.00 0.00 N -ATOM 410 CA LYS A 24 8.878 -1.965 0.551 1.00 0.00 C -ATOM 411 C LYS A 24 8.785 -3.294 -0.202 1.00 0.00 C -ATOM 412 O LYS A 24 9.774 -3.972 -0.405 1.00 0.00 O -ATOM 413 CB LYS A 24 8.078 -2.024 1.855 1.00 0.00 C -ATOM 414 CG LYS A 24 8.674 -3.093 2.776 1.00 0.00 C -ATOM 415 CD LYS A 24 8.049 -2.977 4.168 1.00 0.00 C -ATOM 416 CE LYS A 24 7.982 -4.361 4.817 1.00 0.00 C -ATOM 417 NZ LYS A 24 7.794 -4.094 6.270 1.00 0.00 N -ATOM 418 H LYS A 24 7.335 -0.574 -0.027 1.00 0.00 H -ATOM 419 HA LYS A 24 9.908 -1.718 0.758 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.120 -1.062 2.346 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.051 -2.272 1.637 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.468 -4.073 2.369 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.742 -2.950 2.851 1.00 0.00 H -ATOM 424 HD2 LYS A 24 8.653 -2.321 4.778 1.00 0.00 H -ATOM 425 HD3 LYS A 24 7.052 -2.573 4.082 1.00 0.00 H -ATOM 426 HE2 LYS A 24 7.144 -4.919 4.422 1.00 0.00 H -ATOM 427 HE3 LYS A 24 8.904 -4.899 4.656 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 6.907 -3.571 6.414 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 8.589 -3.528 6.625 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 7.752 -4.998 6.786 1.00 0.00 H -ATOM 431 N PHE A 25 7.599 -3.666 -0.615 1.00 0.00 N -ATOM 432 CA PHE A 25 7.426 -4.944 -1.353 1.00 0.00 C -ATOM 433 C PHE A 25 7.762 -4.760 -2.839 1.00 0.00 C -ATOM 434 O PHE A 25 6.955 -5.042 -3.705 1.00 0.00 O -ATOM 435 CB PHE A 25 5.952 -5.312 -1.175 1.00 0.00 C -ATOM 436 CG PHE A 25 5.704 -6.686 -1.744 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.464 -7.776 -1.304 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.711 -6.870 -2.710 1.00 0.00 C -ATOM 439 CE1 PHE A 25 6.231 -9.051 -1.832 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.478 -8.144 -3.240 1.00 0.00 C -ATOM 441 CZ PHE A 25 5.238 -9.235 -2.801 1.00 0.00 C -ATOM 442 H PHE A 25 6.823 -3.106 -0.436 1.00 0.00 H -ATOM 443 HA PHE A 25 8.046 -5.701 -0.918 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.705 -5.307 -0.124 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.336 -4.594 -1.695 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.232 -7.631 -0.557 1.00 0.00 H -ATOM 447 HD2 PHE A 25 4.127 -6.027 -3.048 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.818 -9.892 -1.492 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.711 -8.285 -3.987 1.00 0.00 H -ATOM 450 HZ PHE A 25 5.057 -10.219 -3.209 1.00 0.00 H -ATOM 451 N LYS A 26 8.948 -4.291 -3.137 1.00 0.00 N -ATOM 452 CA LYS A 26 9.343 -4.087 -4.567 1.00 0.00 C -ATOM 453 C LYS A 26 9.462 -5.429 -5.296 1.00 0.00 C -ATOM 454 O LYS A 26 9.410 -5.490 -6.510 1.00 0.00 O -ATOM 455 CB LYS A 26 10.705 -3.388 -4.516 1.00 0.00 C -ATOM 456 CG LYS A 26 10.508 -1.881 -4.312 1.00 0.00 C -ATOM 457 CD LYS A 26 10.677 -1.151 -5.648 1.00 0.00 C -ATOM 458 CE LYS A 26 10.986 0.325 -5.388 1.00 0.00 C -ATOM 459 NZ LYS A 26 10.462 1.046 -6.582 1.00 0.00 N -ATOM 460 H LYS A 26 9.578 -4.072 -2.420 1.00 0.00 H -ATOM 461 HA LYS A 26 8.628 -3.462 -5.062 1.00 0.00 H -ATOM 462 HB2 LYS A 26 11.282 -3.790 -3.695 1.00 0.00 H -ATOM 463 HB3 LYS A 26 11.232 -3.560 -5.442 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.517 -1.694 -3.922 1.00 0.00 H -ATOM 465 HG3 LYS A 26 11.243 -1.515 -3.611 1.00 0.00 H -ATOM 466 HD2 LYS A 26 11.491 -1.598 -6.200 1.00 0.00 H -ATOM 467 HD3 LYS A 26 9.765 -1.232 -6.220 1.00 0.00 H -ATOM 468 HE2 LYS A 26 10.482 0.660 -4.491 1.00 0.00 H -ATOM 469 HE3 LYS A 26 12.051 0.478 -5.302 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 10.962 0.719 -7.433 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 10.613 2.069 -6.461 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 9.446 0.854 -6.684 1.00 0.00 H -ATOM 473 N GLY A 27 9.623 -6.497 -4.564 1.00 0.00 N -ATOM 474 CA GLY A 27 9.750 -7.840 -5.203 1.00 0.00 C -ATOM 475 C GLY A 27 11.154 -7.994 -5.788 1.00 0.00 C -ATOM 476 O GLY A 27 11.339 -8.588 -6.834 1.00 0.00 O -ATOM 477 H GLY A 27 9.663 -6.415 -3.592 1.00 0.00 H -ATOM 478 HA2 GLY A 27 9.580 -8.609 -4.463 1.00 0.00 H -ATOM 479 HA3 GLY A 27 9.022 -7.934 -5.994 1.00 0.00 H -ATOM 480 N ARG A 28 12.144 -7.461 -5.119 1.00 0.00 N -ATOM 481 CA ARG A 28 13.545 -7.567 -5.626 1.00 0.00 C -ATOM 482 C ARG A 28 14.157 -8.909 -5.213 1.00 0.00 C -ATOM 483 O ARG A 28 13.400 -9.804 -4.875 1.00 0.00 O -ATOM 484 CB ARG A 28 14.293 -6.409 -4.964 1.00 0.00 C -ATOM 485 CG ARG A 28 15.475 -5.993 -5.842 1.00 0.00 C -ATOM 486 CD ARG A 28 16.212 -4.823 -5.184 1.00 0.00 C -ATOM 487 NE ARG A 28 15.654 -3.605 -5.834 1.00 0.00 N -ATOM 488 CZ ARG A 28 15.587 -2.484 -5.169 1.00 0.00 C -ATOM 489 NH1 ARG A 28 14.563 -2.246 -4.395 1.00 0.00 N -ATOM 490 NH2 ARG A 28 16.542 -1.602 -5.279 1.00 0.00 N -ATOM 491 OXT ARG A 28 15.372 -9.018 -5.244 1.00 0.00 O -ATOM 492 H ARG A 28 11.964 -6.988 -4.279 1.00 0.00 H -ATOM 493 HA ARG A 28 13.568 -7.456 -6.698 1.00 0.00 H -ATOM 494 HB2 ARG A 28 13.622 -5.572 -4.842 1.00 0.00 H -ATOM 495 HB3 ARG A 28 14.658 -6.722 -3.997 1.00 0.00 H -ATOM 496 HG2 ARG A 28 16.151 -6.828 -5.954 1.00 0.00 H -ATOM 497 HG3 ARG A 28 15.113 -5.688 -6.813 1.00 0.00 H -ATOM 498 HD2 ARG A 28 16.017 -4.808 -4.121 1.00 0.00 H -ATOM 499 HD3 ARG A 28 17.272 -4.892 -5.374 1.00 0.00 H -ATOM 500 HE ARG A 28 15.339 -3.644 -6.761 1.00 0.00 H -ATOM 501 HH11 ARG A 28 13.831 -2.922 -4.311 1.00 0.00 H -ATOM 502 HH12 ARG A 28 14.511 -1.388 -3.885 1.00 0.00 H -ATOM 503 HH21 ARG A 28 17.326 -1.784 -5.872 1.00 0.00 H -ATOM 504 HH22 ARG A 28 16.490 -0.742 -4.769 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 12 -ATOM 1 N GLU A 1 -12.535 7.784 5.442 1.00 0.00 N -ATOM 2 CA GLU A 1 -12.574 6.682 4.439 1.00 0.00 C -ATOM 3 C GLU A 1 -11.908 7.130 3.134 1.00 0.00 C -ATOM 4 O GLU A 1 -12.543 7.698 2.267 1.00 0.00 O -ATOM 5 CB GLU A 1 -14.060 6.403 4.213 1.00 0.00 C -ATOM 6 CG GLU A 1 -14.233 5.000 3.628 1.00 0.00 C -ATOM 7 CD GLU A 1 -14.286 5.086 2.101 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -13.246 5.310 1.504 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.365 4.928 1.555 1.00 0.00 O -ATOM 10 H1 GLU A 1 -12.916 7.443 6.348 1.00 0.00 H -ATOM 11 H2 GLU A 1 -13.110 8.582 5.103 1.00 0.00 H -ATOM 12 H3 GLU A 1 -11.552 8.096 5.578 1.00 0.00 H -ATOM 13 HA GLU A 1 -12.089 5.800 4.827 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -14.586 6.469 5.156 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -14.463 7.131 3.525 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -13.400 4.381 3.926 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -15.153 4.569 3.994 1.00 0.00 H -ATOM 18 N GLN A 2 -10.631 6.878 2.995 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.912 7.283 1.751 1.00 0.00 C -ATOM 20 C GLN A 2 -10.034 6.184 0.693 1.00 0.00 C -ATOM 21 O GLN A 2 -10.801 5.253 0.839 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.454 7.462 2.178 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.863 8.699 1.493 1.00 0.00 C -ATOM 24 CD GLN A 2 -6.916 9.416 2.459 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -7.222 9.572 3.624 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -5.770 9.860 2.020 1.00 0.00 N -ATOM 27 H GLN A 2 -10.144 6.419 3.711 1.00 0.00 H -ATOM 28 HA GLN A 2 -10.304 8.215 1.374 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.407 7.586 3.251 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.885 6.590 1.892 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -7.317 8.396 0.612 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -8.659 9.371 1.209 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -5.522 9.733 1.081 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -5.157 10.321 2.631 1.00 0.00 H -ATOM 35 N TYR A 3 -9.283 6.290 -0.376 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.348 5.258 -1.462 1.00 0.00 C -ATOM 37 C TYR A 3 -9.204 3.838 -0.905 1.00 0.00 C -ATOM 38 O TYR A 3 -8.691 3.633 0.179 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.201 5.584 -2.424 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.906 5.799 -1.676 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.297 4.749 -0.975 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.320 7.067 -1.686 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.101 4.977 -0.292 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.125 7.290 -1.002 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.514 6.245 -0.304 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.332 6.466 0.371 1.00 0.00 O -ATOM 47 H TYR A 3 -8.679 7.055 -0.473 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.274 5.348 -1.983 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.077 4.773 -3.124 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.448 6.486 -2.963 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.747 3.765 -0.961 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.791 7.875 -2.225 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.633 4.174 0.243 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.678 8.269 -1.010 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.762 5.707 0.227 1.00 0.00 H -ATOM 56 N THR A 4 -9.661 2.861 -1.647 1.00 0.00 N -ATOM 57 CA THR A 4 -9.564 1.445 -1.180 1.00 0.00 C -ATOM 58 C THR A 4 -8.532 0.679 -2.010 1.00 0.00 C -ATOM 59 O THR A 4 -8.749 -0.455 -2.391 1.00 0.00 O -ATOM 60 CB THR A 4 -10.962 0.849 -1.380 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.555 1.392 -2.552 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.833 1.172 -0.165 1.00 0.00 C -ATOM 63 H THR A 4 -10.070 3.060 -2.515 1.00 0.00 H -ATOM 64 HA THR A 4 -9.300 1.415 -0.135 1.00 0.00 H -ATOM 65 HB THR A 4 -10.882 -0.222 -1.483 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.323 0.827 -3.292 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.857 2.241 -0.013 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.421 0.692 0.711 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.835 0.809 -0.335 1.00 0.00 H -ATOM 70 N ALA A 5 -7.403 1.288 -2.283 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.334 0.603 -3.079 1.00 0.00 C -ATOM 72 C ALA A 5 -6.024 -0.766 -2.487 1.00 0.00 C -ATOM 73 O ALA A 5 -5.830 -0.882 -1.302 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.095 1.485 -2.933 1.00 0.00 C -ATOM 75 H ALA A 5 -7.256 2.194 -1.961 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.618 0.526 -4.112 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.392 2.486 -2.660 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.559 1.509 -3.870 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.452 1.073 -2.157 1.00 0.00 H -ATOM 80 N LYS A 6 -5.956 -1.788 -3.290 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.632 -3.134 -2.736 1.00 0.00 C -ATOM 82 C LYS A 6 -4.352 -3.676 -3.353 1.00 0.00 C -ATOM 83 O LYS A 6 -4.129 -3.594 -4.546 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.818 -4.041 -3.057 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.166 -3.960 -4.543 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.636 -5.330 -5.036 1.00 0.00 C -ATOM 87 CE LYS A 6 -9.147 -5.458 -4.825 1.00 0.00 C -ATOM 88 NZ LYS A 6 -9.561 -6.604 -5.684 1.00 0.00 N -ATOM 89 H LYS A 6 -6.101 -1.671 -4.251 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.513 -3.067 -1.669 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.557 -5.057 -2.801 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.671 -3.731 -2.473 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.952 -3.233 -4.684 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.293 -3.658 -5.099 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.409 -5.432 -6.088 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -7.130 -6.106 -4.482 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -9.363 -5.666 -3.787 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -9.650 -4.558 -5.144 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -10.550 -6.849 -5.479 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -8.951 -7.422 -5.488 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -9.469 -6.338 -6.684 1.00 0.00 H -ATOM 102 N TYR A 7 -3.519 -4.243 -2.531 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.240 -4.820 -3.020 1.00 0.00 C -ATOM 104 C TYR A 7 -2.145 -6.262 -2.542 1.00 0.00 C -ATOM 105 O TYR A 7 -2.063 -6.530 -1.359 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.141 -3.961 -2.410 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.153 -2.631 -3.076 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.162 -1.721 -2.777 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.150 -2.308 -3.980 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.174 -0.471 -3.388 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.148 -1.060 -4.596 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.161 -0.132 -4.302 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.164 1.107 -4.909 1.00 0.00 O -ATOM 114 H TYR A 7 -3.747 -4.297 -1.581 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.191 -4.767 -4.096 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.307 -3.826 -1.359 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.186 -4.427 -2.568 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.937 -1.991 -2.077 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.619 -3.030 -4.206 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.954 0.240 -3.141 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.636 -0.812 -5.293 1.00 0.00 H -ATOM 122 HH TYR A 7 -0.255 1.410 -4.967 1.00 0.00 H -ATOM 123 N LYS A 8 -2.186 -7.193 -3.456 1.00 0.00 N -ATOM 124 CA LYS A 8 -2.132 -8.642 -3.081 1.00 0.00 C -ATOM 125 C LYS A 8 -3.229 -8.977 -2.056 1.00 0.00 C -ATOM 126 O LYS A 8 -3.132 -9.948 -1.330 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.740 -8.865 -2.477 1.00 0.00 C -ATOM 128 CG LYS A 8 0.322 -8.673 -3.562 1.00 0.00 C -ATOM 129 CD LYS A 8 0.174 -9.766 -4.623 1.00 0.00 C -ATOM 130 CE LYS A 8 1.554 -10.153 -5.160 1.00 0.00 C -ATOM 131 NZ LYS A 8 1.899 -11.418 -4.454 1.00 0.00 N -ATOM 132 H LYS A 8 -2.272 -6.936 -4.398 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.249 -9.255 -3.960 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.574 -8.157 -1.679 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.674 -9.870 -2.087 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.194 -7.703 -4.021 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.305 -8.734 -3.118 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.297 -10.633 -4.182 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -0.436 -9.399 -5.435 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.508 -10.315 -6.228 1.00 0.00 H -ATOM 141 HE3 LYS A 8 2.279 -9.389 -4.926 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 1.122 -12.100 -4.564 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 2.049 -11.220 -3.443 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 2.767 -11.818 -4.863 1.00 0.00 H -ATOM 145 N GLY A 9 -4.279 -8.185 -2.002 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.386 -8.466 -1.036 1.00 0.00 C -ATOM 147 C GLY A 9 -5.580 -7.288 -0.072 1.00 0.00 C -ATOM 148 O GLY A 9 -6.626 -6.670 -0.037 1.00 0.00 O -ATOM 149 H GLY A 9 -4.344 -7.415 -2.603 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.302 -8.632 -1.585 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.146 -9.352 -0.469 1.00 0.00 H -ATOM 152 N ARG A 10 -4.585 -6.991 0.725 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.704 -5.870 1.717 1.00 0.00 C -ATOM 154 C ARG A 10 -5.113 -4.552 1.052 1.00 0.00 C -ATOM 155 O ARG A 10 -4.577 -4.173 0.028 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.308 -5.723 2.318 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.130 -6.729 3.458 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.836 -6.425 4.225 1.00 0.00 C -ATOM 159 NE ARG A 10 -0.999 -7.648 4.077 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.954 -8.527 5.039 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -1.966 -9.326 5.244 1.00 0.00 N -ATOM 162 NH2 ARG A 10 0.104 -8.609 5.798 1.00 0.00 N -ATOM 163 H ARG A 10 -3.759 -7.520 0.684 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.402 -6.129 2.494 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.567 -5.903 1.553 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.191 -4.721 2.702 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.973 -6.657 4.132 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -3.082 -7.727 3.050 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.334 -5.569 3.796 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -2.051 -6.251 5.269 1.00 0.00 H -ATOM 171 HE ARG A 10 -0.483 -7.792 3.256 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -2.777 -9.263 4.662 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -1.931 -9.998 5.982 1.00 0.00 H -ATOM 174 HH21 ARG A 10 0.879 -7.997 5.643 1.00 0.00 H -ATOM 175 HH22 ARG A 10 0.140 -9.283 6.536 1.00 0.00 H -ATOM 176 N THR A 11 -6.037 -3.834 1.652 1.00 0.00 N -ATOM 177 CA THR A 11 -6.455 -2.517 1.080 1.00 0.00 C -ATOM 178 C THR A 11 -5.627 -1.406 1.732 1.00 0.00 C -ATOM 179 O THR A 11 -5.024 -1.608 2.770 1.00 0.00 O -ATOM 180 CB THR A 11 -7.934 -2.342 1.428 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.671 -3.449 0.926 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.451 -1.046 0.790 1.00 0.00 C -ATOM 183 H THR A 11 -6.434 -4.149 2.491 1.00 0.00 H -ATOM 184 HA THR A 11 -6.325 -2.521 0.010 1.00 0.00 H -ATOM 185 HB THR A 11 -8.050 -2.284 2.498 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.528 -3.496 -0.022 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.506 -0.937 0.997 1.00 0.00 H -ATOM 188 HG22 THR A 11 -8.298 -1.084 -0.278 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.915 -0.197 1.196 1.00 0.00 H -ATOM 190 N PHE A 12 -5.583 -0.241 1.136 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.786 0.875 1.725 1.00 0.00 C -ATOM 192 C PHE A 12 -5.641 2.135 1.858 1.00 0.00 C -ATOM 193 O PHE A 12 -6.111 2.686 0.884 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.613 1.079 0.758 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.685 -0.088 0.924 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -3.017 -1.293 0.321 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.517 0.025 1.687 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.187 -2.407 0.479 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.678 -1.085 1.844 1.00 0.00 C -ATOM 200 CZ PHE A 12 -1.017 -2.305 1.244 1.00 0.00 C -ATOM 201 H PHE A 12 -6.073 -0.102 0.299 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.406 0.584 2.692 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.970 1.109 -0.270 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.094 1.994 0.996 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.917 -1.355 -0.281 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.266 0.966 2.156 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.459 -3.349 0.031 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.232 -1.000 2.422 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.373 -3.163 1.364 1.00 0.00 H -ATOM 210 N ARG A 13 -5.850 2.583 3.069 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.670 3.806 3.300 1.00 0.00 C -ATOM 212 C ARG A 13 -5.771 4.930 3.815 1.00 0.00 C -ATOM 213 O ARG A 13 -6.192 5.773 4.585 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.679 3.396 4.370 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.885 4.336 4.332 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.952 3.829 5.304 1.00 0.00 C -ATOM 217 NE ARG A 13 -9.828 4.705 6.503 1.00 0.00 N -ATOM 218 CZ ARG A 13 -9.300 4.239 7.602 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -10.039 3.584 8.455 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -8.032 4.428 7.847 1.00 0.00 N -ATOM 221 H ARG A 13 -5.464 2.109 3.835 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.180 4.102 2.397 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.006 2.383 4.187 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -7.213 3.453 5.343 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -8.576 5.331 4.619 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -9.293 4.358 3.333 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -10.935 3.925 4.865 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.758 2.802 5.577 1.00 0.00 H -ATOM 229 HE ARG A 13 -10.144 5.632 6.467 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -11.011 3.441 8.268 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -9.634 3.229 9.297 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -7.465 4.929 7.193 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -7.627 4.071 8.689 1.00 0.00 H -ATOM 234 N ASN A 14 -4.532 4.936 3.399 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.584 5.990 3.859 1.00 0.00 C -ATOM 236 C ASN A 14 -2.386 6.064 2.907 1.00 0.00 C -ATOM 237 O ASN A 14 -1.886 5.057 2.441 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.154 5.539 5.262 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.070 6.468 5.809 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -0.936 6.069 5.978 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.381 7.697 6.094 1.00 0.00 N -ATOM 242 H ASN A 14 -4.223 4.239 2.783 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.081 6.946 3.915 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -4.009 5.573 5.921 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.774 4.530 5.217 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -3.297 8.010 5.955 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.699 8.306 6.446 1.00 0.00 H -ATOM 248 N GLU A 15 -1.930 7.253 2.619 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.766 7.413 1.695 1.00 0.00 C -ATOM 250 C GLU A 15 0.508 6.873 2.350 1.00 0.00 C -ATOM 251 O GLU A 15 1.340 6.267 1.701 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.654 8.919 1.454 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.137 9.173 0.037 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.551 10.574 -0.414 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -0.497 11.478 0.403 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -0.918 10.719 -1.569 1.00 0.00 O -ATOM 257 H GLU A 15 -2.357 8.045 3.011 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.954 6.904 0.763 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.628 9.373 1.570 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.031 9.349 2.168 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.941 9.094 0.027 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.558 8.441 -0.637 1.00 0.00 H -ATOM 263 N LYS A 16 0.669 7.090 3.633 1.00 0.00 N -ATOM 264 CA LYS A 16 1.890 6.594 4.342 1.00 0.00 C -ATOM 265 C LYS A 16 2.045 5.087 4.155 1.00 0.00 C -ATOM 266 O LYS A 16 3.121 4.583 3.895 1.00 0.00 O -ATOM 267 CB LYS A 16 1.665 6.927 5.818 1.00 0.00 C -ATOM 268 CG LYS A 16 2.990 7.348 6.456 1.00 0.00 C -ATOM 269 CD LYS A 16 3.307 8.794 6.068 1.00 0.00 C -ATOM 270 CE LYS A 16 4.119 9.457 7.183 1.00 0.00 C -ATOM 271 NZ LYS A 16 4.331 10.857 6.721 1.00 0.00 N -ATOM 272 H LYS A 16 -0.012 7.582 4.130 1.00 0.00 H -ATOM 273 HA LYS A 16 2.752 7.102 3.981 1.00 0.00 H -ATOM 274 HB2 LYS A 16 0.952 7.736 5.899 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.282 6.056 6.328 1.00 0.00 H -ATOM 276 HG2 LYS A 16 2.911 7.272 7.531 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.781 6.702 6.106 1.00 0.00 H -ATOM 278 HD2 LYS A 16 3.878 8.803 5.151 1.00 0.00 H -ATOM 279 HD3 LYS A 16 2.386 9.339 5.924 1.00 0.00 H -ATOM 280 HE2 LYS A 16 3.563 9.444 8.110 1.00 0.00 H -ATOM 281 HE3 LYS A 16 5.068 8.960 7.304 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 4.812 11.400 7.466 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 3.413 11.297 6.512 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 4.917 10.853 5.861 1.00 0.00 H -ATOM 285 N GLU A 17 0.966 4.378 4.283 1.00 0.00 N -ATOM 286 CA GLU A 17 1.006 2.892 4.115 1.00 0.00 C -ATOM 287 C GLU A 17 1.383 2.546 2.673 1.00 0.00 C -ATOM 288 O GLU A 17 2.340 1.842 2.422 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.416 2.410 4.421 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.792 2.786 5.855 1.00 0.00 C -ATOM 291 CD GLU A 17 -0.200 1.761 6.824 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.936 1.366 6.615 1.00 0.00 O -ATOM 293 OE2 GLU A 17 -0.891 1.388 7.758 1.00 0.00 O -ATOM 294 H GLU A 17 0.125 4.830 4.489 1.00 0.00 H -ATOM 295 HA GLU A 17 1.704 2.450 4.807 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.107 2.876 3.733 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.463 1.338 4.307 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.405 3.768 6.086 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.866 2.791 5.953 1.00 0.00 H -ATOM 300 N LEU A 18 0.629 3.042 1.728 1.00 0.00 N -ATOM 301 CA LEU A 18 0.921 2.759 0.287 1.00 0.00 C -ATOM 302 C LEU A 18 2.335 3.221 -0.070 1.00 0.00 C -ATOM 303 O LEU A 18 3.099 2.492 -0.675 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.134 3.562 -0.493 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.580 2.804 -1.755 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -1.118 1.409 -1.385 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.684 3.606 -2.453 1.00 0.00 C -ATOM 308 H LEU A 18 -0.135 3.604 1.968 1.00 0.00 H -ATOM 309 HA LEU A 18 0.816 1.707 0.086 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -0.992 3.730 0.141 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.287 4.514 -0.782 1.00 0.00 H -ATOM 312 HG LEU A 18 0.260 2.704 -2.421 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -1.034 1.267 -0.326 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.543 0.643 -1.891 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -2.155 1.324 -1.674 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.312 4.075 -1.711 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -2.279 2.942 -3.062 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.238 4.366 -3.078 1.00 0.00 H -ATOM 319 N ARG A 19 2.691 4.421 0.309 1.00 0.00 N -ATOM 320 CA ARG A 19 4.065 4.928 0.002 1.00 0.00 C -ATOM 321 C ARG A 19 5.124 4.026 0.647 1.00 0.00 C -ATOM 322 O ARG A 19 6.273 4.030 0.249 1.00 0.00 O -ATOM 323 CB ARG A 19 4.122 6.331 0.603 1.00 0.00 C -ATOM 324 CG ARG A 19 3.367 7.307 -0.302 1.00 0.00 C -ATOM 325 CD ARG A 19 4.337 7.913 -1.320 1.00 0.00 C -ATOM 326 NE ARG A 19 3.466 8.563 -2.339 1.00 0.00 N -ATOM 327 CZ ARG A 19 3.446 9.863 -2.448 1.00 0.00 C -ATOM 328 NH1 ARG A 19 4.486 10.497 -2.918 1.00 0.00 N -ATOM 329 NH2 ARG A 19 2.385 10.532 -2.089 1.00 0.00 N -ATOM 330 H ARG A 19 2.058 4.984 0.803 1.00 0.00 H -ATOM 331 HA ARG A 19 4.215 4.977 -1.063 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.668 6.320 1.583 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.152 6.643 0.685 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.581 6.780 -0.822 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.939 8.095 0.297 1.00 0.00 H -ATOM 336 HD2 ARG A 19 4.973 8.647 -0.842 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.932 7.141 -1.780 1.00 0.00 H -ATOM 338 HE ARG A 19 2.908 8.013 -2.928 1.00 0.00 H -ATOM 339 HH11 ARG A 19 5.300 9.985 -3.195 1.00 0.00 H -ATOM 340 HH12 ARG A 19 4.469 11.493 -3.001 1.00 0.00 H -ATOM 341 HH21 ARG A 19 1.587 10.048 -1.728 1.00 0.00 H -ATOM 342 HH22 ARG A 19 2.370 11.528 -2.171 1.00 0.00 H -ATOM 343 N ASP A 20 4.749 3.258 1.643 1.00 0.00 N -ATOM 344 CA ASP A 20 5.734 2.359 2.316 1.00 0.00 C -ATOM 345 C ASP A 20 5.569 0.917 1.824 1.00 0.00 C -ATOM 346 O ASP A 20 6.531 0.178 1.723 1.00 0.00 O -ATOM 347 CB ASP A 20 5.406 2.458 3.806 1.00 0.00 C -ATOM 348 CG ASP A 20 6.585 1.932 4.625 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.653 2.515 4.532 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.402 0.954 5.331 1.00 0.00 O -ATOM 351 H ASP A 20 3.819 3.274 1.951 1.00 0.00 H -ATOM 352 HA ASP A 20 6.739 2.705 2.138 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.218 3.490 4.065 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.528 1.868 4.022 1.00 0.00 H -ATOM 355 N PHE A 21 4.359 0.510 1.517 1.00 0.00 N -ATOM 356 CA PHE A 21 4.139 -0.889 1.034 1.00 0.00 C -ATOM 357 C PHE A 21 4.820 -1.103 -0.324 1.00 0.00 C -ATOM 358 O PHE A 21 5.823 -1.781 -0.426 1.00 0.00 O -ATOM 359 CB PHE A 21 2.626 -1.057 0.893 1.00 0.00 C -ATOM 360 CG PHE A 21 2.368 -2.467 0.435 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.389 -3.493 1.371 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.145 -2.746 -0.918 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.175 -4.816 0.968 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.933 -4.067 -1.327 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.943 -5.103 -0.383 1.00 0.00 C -ATOM 366 H PHE A 21 3.600 1.123 1.607 1.00 0.00 H -ATOM 367 HA PHE A 21 4.508 -1.604 1.758 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.158 -0.892 1.846 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.227 -0.363 0.178 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.583 -3.260 2.408 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.139 -1.944 -1.649 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.183 -5.613 1.697 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.763 -4.289 -2.371 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.779 -6.123 -0.699 1.00 0.00 H -ATOM 375 N ILE A 22 4.260 -0.538 -1.368 1.00 0.00 N -ATOM 376 CA ILE A 22 4.838 -0.702 -2.742 1.00 0.00 C -ATOM 377 C ILE A 22 6.342 -0.407 -2.718 1.00 0.00 C -ATOM 378 O ILE A 22 7.117 -0.997 -3.449 1.00 0.00 O -ATOM 379 CB ILE A 22 4.086 0.313 -3.612 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.608 -0.091 -3.693 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.669 0.308 -5.026 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.760 0.816 -2.809 1.00 0.00 C -ATOM 383 H ILE A 22 3.450 -0.009 -1.245 1.00 0.00 H -ATOM 384 HA ILE A 22 4.646 -1.699 -3.111 1.00 0.00 H -ATOM 385 HB ILE A 22 4.176 1.300 -3.182 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.269 -0.007 -4.712 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.498 -1.110 -3.361 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.227 1.107 -5.600 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.445 -0.640 -5.493 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.737 0.444 -4.977 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.557 0.315 -1.872 1.00 0.00 H -ATOM 392 HD12 ILE A 22 0.828 1.031 -3.309 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.290 1.737 -2.621 1.00 0.00 H -ATOM 394 N GLU A 23 6.748 0.489 -1.861 1.00 0.00 N -ATOM 395 CA GLU A 23 8.200 0.822 -1.752 1.00 0.00 C -ATOM 396 C GLU A 23 8.944 -0.369 -1.147 1.00 0.00 C -ATOM 397 O GLU A 23 10.069 -0.659 -1.505 1.00 0.00 O -ATOM 398 CB GLU A 23 8.274 2.034 -0.819 1.00 0.00 C -ATOM 399 CG GLU A 23 8.546 3.300 -1.637 1.00 0.00 C -ATOM 400 CD GLU A 23 10.034 3.376 -1.983 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.443 2.688 -2.904 1.00 0.00 O -ATOM 402 OE2 GLU A 23 10.739 4.119 -1.323 1.00 0.00 O -ATOM 403 H GLU A 23 6.093 0.932 -1.277 1.00 0.00 H -ATOM 404 HA GLU A 23 8.606 1.067 -2.721 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.337 2.139 -0.293 1.00 0.00 H -ATOM 406 HB3 GLU A 23 9.073 1.892 -0.106 1.00 0.00 H -ATOM 407 HG2 GLU A 23 7.964 3.273 -2.546 1.00 0.00 H -ATOM 408 HG3 GLU A 23 8.270 4.168 -1.058 1.00 0.00 H -ATOM 409 N LYS A 24 8.309 -1.066 -0.238 1.00 0.00 N -ATOM 410 CA LYS A 24 8.958 -2.251 0.395 1.00 0.00 C -ATOM 411 C LYS A 24 8.789 -3.475 -0.508 1.00 0.00 C -ATOM 412 O LYS A 24 9.747 -4.142 -0.849 1.00 0.00 O -ATOM 413 CB LYS A 24 8.219 -2.452 1.719 1.00 0.00 C -ATOM 414 CG LYS A 24 9.003 -1.783 2.850 1.00 0.00 C -ATOM 415 CD LYS A 24 8.484 -2.287 4.198 1.00 0.00 C -ATOM 416 CE LYS A 24 9.098 -3.655 4.505 1.00 0.00 C -ATOM 417 NZ LYS A 24 9.437 -3.610 5.955 1.00 0.00 N -ATOM 418 H LYS A 24 7.400 -0.812 0.023 1.00 0.00 H -ATOM 419 HA LYS A 24 10.003 -2.058 0.578 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.235 -2.010 1.652 1.00 0.00 H -ATOM 421 HB3 LYS A 24 8.126 -3.508 1.923 1.00 0.00 H -ATOM 422 HG2 LYS A 24 10.052 -2.025 2.753 1.00 0.00 H -ATOM 423 HG3 LYS A 24 8.874 -0.712 2.793 1.00 0.00 H -ATOM 424 HD2 LYS A 24 8.759 -1.586 4.974 1.00 0.00 H -ATOM 425 HD3 LYS A 24 7.410 -2.377 4.160 1.00 0.00 H -ATOM 426 HE2 LYS A 24 8.380 -4.440 4.309 1.00 0.00 H -ATOM 427 HE3 LYS A 24 9.992 -3.808 3.920 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 8.583 -3.378 6.503 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 10.163 -2.883 6.117 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 9.803 -4.535 6.254 1.00 0.00 H -ATOM 431 N PHE A 25 7.573 -3.770 -0.898 1.00 0.00 N -ATOM 432 CA PHE A 25 7.329 -4.941 -1.780 1.00 0.00 C -ATOM 433 C PHE A 25 7.532 -4.551 -3.249 1.00 0.00 C -ATOM 434 O PHE A 25 6.654 -4.724 -4.074 1.00 0.00 O -ATOM 435 CB PHE A 25 5.874 -5.336 -1.521 1.00 0.00 C -ATOM 436 CG PHE A 25 5.538 -6.576 -2.311 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.313 -7.732 -2.165 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.449 -6.569 -3.187 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.998 -8.883 -2.898 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.132 -7.718 -3.920 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.907 -8.876 -3.776 1.00 0.00 C -ATOM 442 H PHE A 25 6.821 -3.221 -0.612 1.00 0.00 H -ATOM 443 HA PHE A 25 7.980 -5.744 -1.507 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.737 -5.532 -0.468 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.222 -4.531 -1.827 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.155 -7.735 -1.489 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.853 -5.675 -3.297 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.596 -9.776 -2.787 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.291 -7.710 -4.597 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.663 -9.763 -4.341 1.00 0.00 H -ATOM 451 N LYS A 26 8.683 -4.021 -3.576 1.00 0.00 N -ATOM 452 CA LYS A 26 8.954 -3.609 -4.990 1.00 0.00 C -ATOM 453 C LYS A 26 8.973 -4.822 -5.923 1.00 0.00 C -ATOM 454 O LYS A 26 8.776 -4.699 -7.117 1.00 0.00 O -ATOM 455 CB LYS A 26 10.329 -2.939 -4.958 1.00 0.00 C -ATOM 456 CG LYS A 26 10.158 -1.423 -4.839 1.00 0.00 C -ATOM 457 CD LYS A 26 11.293 -0.722 -5.586 1.00 0.00 C -ATOM 458 CE LYS A 26 12.560 -0.744 -4.728 1.00 0.00 C -ATOM 459 NZ LYS A 26 13.492 0.206 -5.394 1.00 0.00 N -ATOM 460 H LYS A 26 9.370 -3.892 -2.889 1.00 0.00 H -ATOM 461 HA LYS A 26 8.213 -2.908 -5.316 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.888 -3.307 -4.109 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.863 -3.169 -5.867 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.209 -1.134 -5.268 1.00 0.00 H -ATOM 465 HG3 LYS A 26 10.185 -1.139 -3.798 1.00 0.00 H -ATOM 466 HD2 LYS A 26 11.480 -1.234 -6.519 1.00 0.00 H -ATOM 467 HD3 LYS A 26 11.014 0.302 -5.786 1.00 0.00 H -ATOM 468 HE2 LYS A 26 12.337 -0.414 -3.722 1.00 0.00 H -ATOM 469 HE3 LYS A 26 12.988 -1.735 -4.714 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 14.408 0.196 -4.903 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 13.093 1.165 -5.360 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 13.626 -0.079 -6.386 1.00 0.00 H -ATOM 473 N GLY A 27 9.209 -5.986 -5.385 1.00 0.00 N -ATOM 474 CA GLY A 27 9.245 -7.216 -6.232 1.00 0.00 C -ATOM 475 C GLY A 27 10.617 -7.881 -6.106 1.00 0.00 C -ATOM 476 O GLY A 27 11.394 -7.901 -7.041 1.00 0.00 O -ATOM 477 H GLY A 27 9.364 -6.051 -4.424 1.00 0.00 H -ATOM 478 HA2 GLY A 27 8.478 -7.902 -5.903 1.00 0.00 H -ATOM 479 HA3 GLY A 27 9.072 -6.948 -7.264 1.00 0.00 H -ATOM 480 N ARG A 28 10.917 -8.423 -4.954 1.00 0.00 N -ATOM 481 CA ARG A 28 12.237 -9.090 -4.753 1.00 0.00 C -ATOM 482 C ARG A 28 12.033 -10.516 -4.233 1.00 0.00 C -ATOM 483 O ARG A 28 10.996 -11.089 -4.525 1.00 0.00 O -ATOM 484 CB ARG A 28 12.953 -8.235 -3.707 1.00 0.00 C -ATOM 485 CG ARG A 28 14.440 -8.137 -4.054 1.00 0.00 C -ATOM 486 CD ARG A 28 14.972 -6.762 -3.643 1.00 0.00 C -ATOM 487 NE ARG A 28 16.453 -6.909 -3.634 1.00 0.00 N -ATOM 488 CZ ARG A 28 17.117 -6.776 -2.519 1.00 0.00 C -ATOM 489 NH1 ARG A 28 17.521 -5.595 -2.137 1.00 0.00 N -ATOM 490 NH2 ARG A 28 17.375 -7.823 -1.784 1.00 0.00 N -ATOM 491 OXT ARG A 28 12.916 -11.008 -3.550 1.00 0.00 O -ATOM 492 H ARG A 28 10.269 -8.391 -4.218 1.00 0.00 H -ATOM 493 HA ARG A 28 12.800 -9.100 -5.672 1.00 0.00 H -ATOM 494 HB2 ARG A 28 12.520 -7.244 -3.695 1.00 0.00 H -ATOM 495 HB3 ARG A 28 12.842 -8.687 -2.733 1.00 0.00 H -ATOM 496 HG2 ARG A 28 14.984 -8.908 -3.527 1.00 0.00 H -ATOM 497 HG3 ARG A 28 14.572 -8.268 -5.117 1.00 0.00 H -ATOM 498 HD2 ARG A 28 14.669 -6.012 -4.361 1.00 0.00 H -ATOM 499 HD3 ARG A 28 14.620 -6.503 -2.656 1.00 0.00 H -ATOM 500 HE ARG A 28 16.931 -7.106 -4.468 1.00 0.00 H -ATOM 501 HH11 ARG A 28 17.323 -4.793 -2.699 1.00 0.00 H -ATOM 502 HH12 ARG A 28 18.029 -5.493 -1.282 1.00 0.00 H -ATOM 503 HH21 ARG A 28 17.065 -8.727 -2.076 1.00 0.00 H -ATOM 504 HH22 ARG A 28 17.883 -7.721 -0.929 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 13 -ATOM 1 N GLU A 1 -12.940 7.912 5.109 1.00 0.00 N -ATOM 2 CA GLU A 1 -13.426 7.447 3.779 1.00 0.00 C -ATOM 3 C GLU A 1 -12.380 7.744 2.700 1.00 0.00 C -ATOM 4 O GLU A 1 -12.531 8.659 1.911 1.00 0.00 O -ATOM 5 CB GLU A 1 -14.706 8.244 3.523 1.00 0.00 C -ATOM 6 CG GLU A 1 -15.683 7.393 2.707 1.00 0.00 C -ATOM 7 CD GLU A 1 -16.530 8.302 1.815 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -15.962 8.946 0.949 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -17.734 8.337 2.013 1.00 0.00 O -ATOM 10 H1 GLU A 1 -12.810 8.944 5.091 1.00 0.00 H -ATOM 11 H2 GLU A 1 -12.033 7.451 5.329 1.00 0.00 H -ATOM 12 H3 GLU A 1 -13.640 7.668 5.839 1.00 0.00 H -ATOM 13 HA GLU A 1 -13.649 6.392 3.807 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -15.160 8.509 4.467 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -14.469 9.142 2.973 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -15.127 6.700 2.092 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -16.327 6.844 3.376 1.00 0.00 H -ATOM 18 N GLN A 2 -11.322 6.975 2.661 1.00 0.00 N -ATOM 19 CA GLN A 2 -10.259 7.201 1.636 1.00 0.00 C -ATOM 20 C GLN A 2 -10.290 6.082 0.590 1.00 0.00 C -ATOM 21 O GLN A 2 -11.034 5.127 0.715 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.941 7.177 2.418 1.00 0.00 C -ATOM 23 CG GLN A 2 -8.040 8.323 1.947 1.00 0.00 C -ATOM 24 CD GLN A 2 -8.239 9.537 2.857 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -7.284 10.108 3.346 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -9.448 9.960 3.106 1.00 0.00 N -ATOM 27 H GLN A 2 -11.226 6.244 3.308 1.00 0.00 H -ATOM 28 HA GLN A 2 -10.393 8.162 1.164 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -9.147 7.292 3.473 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -8.440 6.236 2.251 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -7.008 8.007 1.987 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -8.297 8.590 0.934 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -10.220 9.501 2.711 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -9.586 10.736 3.688 1.00 0.00 H -ATOM 35 N TYR A 3 -9.491 6.197 -0.441 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.467 5.146 -1.509 1.00 0.00 C -ATOM 37 C TYR A 3 -9.203 3.755 -0.921 1.00 0.00 C -ATOM 38 O TYR A 3 -8.571 3.613 0.109 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.347 5.554 -2.475 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.068 5.816 -1.721 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.375 4.761 -1.120 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.586 7.122 -1.617 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.197 5.016 -0.418 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.409 7.377 -0.915 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.712 6.325 -0.314 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.548 6.576 0.380 1.00 0.00 O -ATOM 47 H TYR A 3 -8.906 6.980 -0.519 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.397 5.145 -2.032 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.185 4.766 -3.193 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.642 6.455 -2.991 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.746 3.751 -1.199 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -7.124 7.934 -2.082 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.667 4.205 0.042 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -5.041 8.385 -0.834 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.808 6.345 -0.186 1.00 0.00 H -ATOM 56 N THR A 4 -9.693 2.729 -1.574 1.00 0.00 N -ATOM 57 CA THR A 4 -9.488 1.338 -1.072 1.00 0.00 C -ATOM 58 C THR A 4 -8.534 0.572 -1.994 1.00 0.00 C -ATOM 59 O THR A 4 -8.769 -0.573 -2.331 1.00 0.00 O -ATOM 60 CB THR A 4 -10.880 0.698 -1.097 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.522 1.017 -2.323 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.721 1.222 0.073 1.00 0.00 C -ATOM 63 H THR A 4 -10.200 2.877 -2.400 1.00 0.00 H -ATOM 64 HA THR A 4 -9.107 1.352 -0.063 1.00 0.00 H -ATOM 65 HB THR A 4 -10.783 -0.374 -1.011 1.00 0.00 H -ATOM 66 HG1 THR A 4 -10.946 0.740 -3.040 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.137 1.913 0.664 1.00 0.00 H -ATOM 68 HG22 THR A 4 -12.031 0.393 0.692 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.594 1.728 -0.312 1.00 0.00 H -ATOM 70 N ALA A 5 -7.461 1.199 -2.405 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.482 0.523 -3.308 1.00 0.00 C -ATOM 72 C ALA A 5 -5.977 -0.774 -2.690 1.00 0.00 C -ATOM 73 O ALA A 5 -5.497 -0.778 -1.582 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.303 1.488 -3.436 1.00 0.00 C -ATOM 75 H ALA A 5 -7.301 2.118 -2.123 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.919 0.345 -4.272 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.630 2.491 -3.208 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.921 1.451 -4.445 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.519 1.193 -2.741 1.00 0.00 H -ATOM 80 N LYS A 6 -6.034 -1.856 -3.410 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.503 -3.134 -2.863 1.00 0.00 C -ATOM 82 C LYS A 6 -4.292 -3.547 -3.686 1.00 0.00 C -ATOM 83 O LYS A 6 -4.020 -2.982 -4.729 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.625 -4.151 -2.980 1.00 0.00 C -ATOM 85 CG LYS A 6 -6.449 -5.233 -1.913 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.817 -5.798 -1.529 1.00 0.00 C -ATOM 87 CE LYS A 6 -7.639 -7.176 -0.888 1.00 0.00 C -ATOM 88 NZ LYS A 6 -9.009 -7.588 -0.475 1.00 0.00 N -ATOM 89 H LYS A 6 -6.391 -1.818 -4.321 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.224 -3.008 -1.827 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -7.570 -3.653 -2.831 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -6.593 -4.607 -3.954 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -5.827 -6.025 -2.302 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -5.983 -4.804 -1.040 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -8.298 -5.132 -0.826 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.430 -5.892 -2.413 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -7.233 -7.875 -1.608 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -6.997 -7.108 -0.023 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -9.367 -6.929 0.245 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -8.978 -8.550 -0.081 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -9.640 -7.569 -1.301 1.00 0.00 H -ATOM 102 N TYR A 7 -3.547 -4.497 -3.210 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.319 -4.927 -3.942 1.00 0.00 C -ATOM 104 C TYR A 7 -2.180 -6.450 -3.898 1.00 0.00 C -ATOM 105 O TYR A 7 -2.232 -7.118 -4.913 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.172 -4.242 -3.191 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.097 -2.795 -3.611 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -1.978 -1.858 -3.057 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.146 -2.390 -4.547 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -1.913 -0.518 -3.445 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.074 -1.051 -4.938 1.00 0.00 C -ATOM 112 CZ TYR A 7 -0.958 -0.112 -4.390 1.00 0.00 C -ATOM 113 OH TYR A 7 -0.888 1.209 -4.779 1.00 0.00 O -ATOM 114 H TYR A 7 -3.787 -4.916 -2.360 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.345 -4.576 -4.962 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.349 -4.295 -2.127 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.239 -4.729 -3.426 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.711 -2.173 -2.331 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.530 -3.116 -4.974 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.598 0.204 -3.012 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.675 -0.740 -5.651 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.562 1.360 -5.445 1.00 0.00 H -ATOM 123 N LYS A 8 -2.018 -7.000 -2.724 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.891 -8.480 -2.588 1.00 0.00 C -ATOM 125 C LYS A 8 -2.736 -8.948 -1.405 1.00 0.00 C -ATOM 126 O LYS A 8 -2.301 -9.743 -0.592 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.405 -8.733 -2.327 1.00 0.00 C -ATOM 128 CG LYS A 8 -0.083 -10.204 -2.601 1.00 0.00 C -ATOM 129 CD LYS A 8 -0.029 -10.441 -4.112 1.00 0.00 C -ATOM 130 CE LYS A 8 0.542 -11.835 -4.391 1.00 0.00 C -ATOM 131 NZ LYS A 8 -0.646 -12.684 -4.680 1.00 0.00 N -ATOM 132 H LYS A 8 -1.991 -6.435 -1.923 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.200 -8.972 -3.497 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.187 -8.106 -2.978 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.175 -8.502 -1.298 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.873 -10.450 -2.162 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -0.850 -10.828 -2.168 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -1.026 -10.371 -4.522 1.00 0.00 H -ATOM 139 HD3 LYS A 8 0.604 -9.697 -4.570 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.203 -11.803 -5.246 1.00 0.00 H -ATOM 141 HE3 LYS A 8 1.063 -12.210 -3.524 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 -1.305 -12.643 -3.876 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 -0.342 -13.667 -4.830 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 -1.121 -12.337 -5.537 1.00 0.00 H -ATOM 145 N GLY A 9 -3.937 -8.442 -1.301 1.00 0.00 N -ATOM 146 CA GLY A 9 -4.825 -8.826 -0.168 1.00 0.00 C -ATOM 147 C GLY A 9 -4.709 -7.771 0.934 1.00 0.00 C -ATOM 148 O GLY A 9 -4.863 -8.063 2.104 1.00 0.00 O -ATOM 149 H GLY A 9 -4.250 -7.795 -1.967 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -5.848 -8.882 -0.514 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.521 -9.786 0.222 1.00 0.00 H -ATOM 152 N ARG A 10 -4.425 -6.544 0.564 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.282 -5.460 1.584 1.00 0.00 C -ATOM 154 C ARG A 10 -4.748 -4.123 1.009 1.00 0.00 C -ATOM 155 O ARG A 10 -4.023 -3.480 0.276 1.00 0.00 O -ATOM 156 CB ARG A 10 -2.783 -5.388 1.884 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.282 -6.750 2.377 1.00 0.00 C -ATOM 158 CD ARG A 10 -0.844 -6.619 2.894 1.00 0.00 C -ATOM 159 NE ARG A 10 -0.897 -7.081 4.310 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.684 -6.236 5.282 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -1.225 -5.049 5.245 1.00 0.00 N -ATOM 162 NH2 ARG A 10 0.070 -6.580 6.289 1.00 0.00 N -ATOM 163 H ARG A 10 -4.298 -6.336 -0.384 1.00 0.00 H -ATOM 164 HA ARG A 10 -4.830 -5.704 2.480 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.250 -5.108 0.981 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.607 -4.645 2.647 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -2.924 -7.101 3.173 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.304 -7.457 1.560 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.181 -7.248 2.316 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -0.519 -5.590 2.854 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.092 -8.020 4.512 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -1.803 -4.785 4.473 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -1.062 -4.403 5.991 1.00 0.00 H -ATOM 174 HH21 ARG A 10 0.484 -7.489 6.317 1.00 0.00 H -ATOM 175 HH22 ARG A 10 0.234 -5.933 7.034 1.00 0.00 H -ATOM 176 N THR A 11 -5.939 -3.689 1.340 1.00 0.00 N -ATOM 177 CA THR A 11 -6.416 -2.378 0.811 1.00 0.00 C -ATOM 178 C THR A 11 -5.659 -1.245 1.519 1.00 0.00 C -ATOM 179 O THR A 11 -5.257 -1.388 2.659 1.00 0.00 O -ATOM 180 CB THR A 11 -7.904 -2.300 1.149 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.570 -3.434 0.612 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.498 -1.018 0.549 1.00 0.00 C -ATOM 183 H THR A 11 -6.507 -4.215 1.940 1.00 0.00 H -ATOM 184 HA THR A 11 -6.278 -2.334 -0.262 1.00 0.00 H -ATOM 185 HB THR A 11 -8.029 -2.281 2.221 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.504 -3.356 0.821 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.030 -0.475 1.315 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.180 -1.279 -0.246 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.705 -0.396 0.151 1.00 0.00 H -ATOM 190 N PHE A 12 -5.458 -0.130 0.863 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.725 0.999 1.509 1.00 0.00 C -ATOM 192 C PHE A 12 -5.631 2.223 1.643 1.00 0.00 C -ATOM 193 O PHE A 12 -6.189 2.702 0.678 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.541 1.290 0.582 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.550 0.171 0.716 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -1.537 0.233 1.683 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -2.656 -0.937 -0.126 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -0.630 -0.826 1.807 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -1.747 -1.998 -0.003 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.738 -1.942 0.966 1.00 0.00 C -ATOM 201 H PHE A 12 -5.786 -0.036 -0.056 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.362 0.698 2.479 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.879 1.347 -0.448 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.075 2.221 0.868 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -1.461 1.094 2.339 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -3.433 -0.963 -0.880 1.00 0.00 H -ATOM 207 HE1 PHE A 12 0.156 -0.783 2.546 1.00 0.00 H -ATOM 208 HE2 PHE A 12 -1.832 -2.864 -0.643 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.040 -2.758 1.062 1.00 0.00 H -ATOM 210 N ARG A 13 -5.768 2.730 2.840 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.624 3.932 3.061 1.00 0.00 C -ATOM 212 C ARG A 13 -5.761 5.073 3.602 1.00 0.00 C -ATOM 213 O ARG A 13 -6.205 5.886 4.392 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.675 3.502 4.093 1.00 0.00 C -ATOM 215 CG ARG A 13 -6.990 3.020 5.381 1.00 0.00 C -ATOM 216 CD ARG A 13 -7.690 3.631 6.597 1.00 0.00 C -ATOM 217 NE ARG A 13 -6.610 3.839 7.596 1.00 0.00 N -ATOM 218 CZ ARG A 13 -6.851 3.660 8.866 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -7.276 2.502 9.293 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -6.668 4.639 9.709 1.00 0.00 N -ATOM 221 H ARG A 13 -5.299 2.322 3.597 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.104 4.226 2.142 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.317 4.341 4.316 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.269 2.699 3.683 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -7.048 1.943 5.436 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -5.953 3.324 5.375 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -8.143 4.576 6.333 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -8.429 2.951 6.989 1.00 0.00 H -ATOM 229 HE ARG A 13 -5.721 4.114 7.301 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -7.418 1.752 8.648 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -7.460 2.366 10.267 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -6.342 5.526 9.381 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -6.853 4.502 10.682 1.00 0.00 H -ATOM 234 N ASN A 14 -4.525 5.127 3.180 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.602 6.200 3.657 1.00 0.00 C -ATOM 236 C ASN A 14 -2.331 6.200 2.804 1.00 0.00 C -ATOM 237 O ASN A 14 -1.704 5.176 2.612 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.282 5.833 5.106 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.864 7.088 5.872 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.698 7.834 6.344 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.594 7.355 6.013 1.00 0.00 N -ATOM 242 H ASN A 14 -4.201 4.454 2.545 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.087 7.163 3.615 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -4.158 5.402 5.569 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.476 5.116 5.127 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -0.922 6.755 5.630 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.314 8.153 6.506 1.00 0.00 H -ATOM 248 N GLU A 15 -1.957 7.340 2.280 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.733 7.413 1.420 1.00 0.00 C -ATOM 250 C GLU A 15 0.504 6.939 2.192 1.00 0.00 C -ATOM 251 O GLU A 15 1.315 6.193 1.676 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.595 8.892 1.043 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.122 9.009 -0.407 1.00 0.00 C -ATOM 254 CD GLU A 15 0.388 10.428 -0.667 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -0.369 11.359 -0.441 1.00 0.00 O -ATOM 256 OE2 GLU A 15 1.526 10.561 -1.085 1.00 0.00 O -ATOM 257 H GLU A 15 -2.490 8.147 2.443 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.867 6.821 0.530 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.554 9.379 1.150 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.125 9.364 1.694 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.674 8.299 -0.585 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.947 8.797 -1.073 1.00 0.00 H -ATOM 263 N LYS A 16 0.659 7.372 3.418 1.00 0.00 N -ATOM 264 CA LYS A 16 1.848 6.956 4.228 1.00 0.00 C -ATOM 265 C LYS A 16 1.955 5.434 4.297 1.00 0.00 C -ATOM 266 O LYS A 16 3.028 4.865 4.207 1.00 0.00 O -ATOM 267 CB LYS A 16 1.606 7.534 5.623 1.00 0.00 C -ATOM 268 CG LYS A 16 2.944 7.720 6.340 1.00 0.00 C -ATOM 269 CD LYS A 16 2.701 8.299 7.736 1.00 0.00 C -ATOM 270 CE LYS A 16 2.414 9.799 7.626 1.00 0.00 C -ATOM 271 NZ LYS A 16 1.395 10.074 8.678 1.00 0.00 N -ATOM 272 H LYS A 16 -0.003 7.977 3.805 1.00 0.00 H -ATOM 273 HA LYS A 16 2.735 7.371 3.811 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.107 8.488 5.536 1.00 0.00 H -ATOM 275 HB3 LYS A 16 0.988 6.854 6.190 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.442 6.765 6.427 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.566 8.399 5.775 1.00 0.00 H -ATOM 278 HD2 LYS A 16 1.854 7.802 8.187 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.576 8.145 8.348 1.00 0.00 H -ATOM 280 HE2 LYS A 16 3.316 10.366 7.815 1.00 0.00 H -ATOM 281 HE3 LYS A 16 2.015 10.036 6.653 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 1.797 9.866 9.613 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 0.561 9.473 8.515 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 1.117 11.074 8.637 1.00 0.00 H -ATOM 285 N GLU A 17 0.845 4.784 4.461 1.00 0.00 N -ATOM 286 CA GLU A 17 0.838 3.289 4.546 1.00 0.00 C -ATOM 287 C GLU A 17 1.318 2.670 3.234 1.00 0.00 C -ATOM 288 O GLU A 17 2.367 2.061 3.165 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.629 2.903 4.778 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.895 2.657 6.261 1.00 0.00 C -ATOM 291 CD GLU A 17 -0.021 1.505 6.769 1.00 0.00 C -ATOM 292 OE1 GLU A 17 -0.394 0.364 6.551 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.005 1.784 7.366 1.00 0.00 O -ATOM 294 H GLU A 17 0.011 5.286 4.531 1.00 0.00 H -ATOM 295 HA GLU A 17 1.448 2.952 5.368 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.266 3.702 4.430 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.854 2.003 4.224 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.675 3.553 6.820 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.934 2.397 6.389 1.00 0.00 H -ATOM 300 N LEU A 18 0.528 2.800 2.201 1.00 0.00 N -ATOM 301 CA LEU A 18 0.889 2.199 0.886 1.00 0.00 C -ATOM 302 C LEU A 18 2.285 2.637 0.428 1.00 0.00 C -ATOM 303 O LEU A 18 3.057 1.831 -0.046 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.190 2.683 -0.088 1.00 0.00 C -ATOM 305 CG LEU A 18 0.098 2.158 -1.501 1.00 0.00 C -ATOM 306 CD1 LEU A 18 0.087 0.622 -1.503 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -0.972 2.682 -2.463 1.00 0.00 C -ATOM 308 H LEU A 18 -0.322 3.274 2.302 1.00 0.00 H -ATOM 309 HA LEU A 18 0.850 1.127 0.962 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.154 2.321 0.238 1.00 0.00 H -ATOM 311 HB3 LEU A 18 -0.199 3.763 -0.105 1.00 0.00 H -ATOM 312 HG LEU A 18 1.069 2.509 -1.818 1.00 0.00 H -ATOM 313 HD11 LEU A 18 0.725 0.253 -0.718 1.00 0.00 H -ATOM 314 HD12 LEU A 18 0.449 0.262 -2.450 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -0.917 0.269 -1.342 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -1.434 3.566 -2.045 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.724 1.923 -2.615 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -0.515 2.930 -3.408 1.00 0.00 H -ATOM 319 N ARG A 19 2.627 3.897 0.558 1.00 0.00 N -ATOM 320 CA ARG A 19 3.990 4.340 0.114 1.00 0.00 C -ATOM 321 C ARG A 19 5.059 3.487 0.812 1.00 0.00 C -ATOM 322 O ARG A 19 6.098 3.193 0.251 1.00 0.00 O -ATOM 323 CB ARG A 19 4.106 5.806 0.527 1.00 0.00 C -ATOM 324 CG ARG A 19 3.271 6.671 -0.418 1.00 0.00 C -ATOM 325 CD ARG A 19 3.379 8.139 0.001 1.00 0.00 C -ATOM 326 NE ARG A 19 4.817 8.486 -0.177 1.00 0.00 N -ATOM 327 CZ ARG A 19 5.180 9.289 -1.140 1.00 0.00 C -ATOM 328 NH1 ARG A 19 4.530 10.402 -1.343 1.00 0.00 N -ATOM 329 NH2 ARG A 19 6.194 8.978 -1.901 1.00 0.00 N -ATOM 330 H ARG A 19 1.997 4.543 0.942 1.00 0.00 H -ATOM 331 HA ARG A 19 4.077 4.242 -0.962 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.747 5.925 1.539 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.139 6.112 0.473 1.00 0.00 H -ATOM 334 HG2 ARG A 19 3.637 6.556 -1.429 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.238 6.362 -0.372 1.00 0.00 H -ATOM 336 HD2 ARG A 19 2.760 8.755 -0.635 1.00 0.00 H -ATOM 337 HD3 ARG A 19 3.096 8.257 1.035 1.00 0.00 H -ATOM 338 HE ARG A 19 5.490 8.113 0.430 1.00 0.00 H -ATOM 339 HH11 ARG A 19 3.753 10.640 -0.760 1.00 0.00 H -ATOM 340 HH12 ARG A 19 4.809 11.016 -2.081 1.00 0.00 H -ATOM 341 HH21 ARG A 19 6.692 8.125 -1.746 1.00 0.00 H -ATOM 342 HH22 ARG A 19 6.472 9.593 -2.639 1.00 0.00 H -ATOM 343 N ASP A 20 4.778 3.051 2.016 1.00 0.00 N -ATOM 344 CA ASP A 20 5.739 2.173 2.743 1.00 0.00 C -ATOM 345 C ASP A 20 5.621 0.767 2.154 1.00 0.00 C -ATOM 346 O ASP A 20 6.597 0.069 1.957 1.00 0.00 O -ATOM 347 CB ASP A 20 5.284 2.194 4.206 1.00 0.00 C -ATOM 348 CG ASP A 20 6.182 3.139 5.006 1.00 0.00 C -ATOM 349 OD1 ASP A 20 5.998 4.339 4.891 1.00 0.00 O -ATOM 350 OD2 ASP A 20 7.039 2.648 5.722 1.00 0.00 O -ATOM 351 H ASP A 20 3.916 3.278 2.426 1.00 0.00 H -ATOM 352 HA ASP A 20 6.747 2.546 2.651 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.258 2.536 4.262 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.355 1.199 4.619 1.00 0.00 H -ATOM 355 N PHE A 21 4.414 0.376 1.838 1.00 0.00 N -ATOM 356 CA PHE A 21 4.176 -0.961 1.214 1.00 0.00 C -ATOM 357 C PHE A 21 4.854 -1.001 -0.158 1.00 0.00 C -ATOM 358 O PHE A 21 5.723 -1.806 -0.434 1.00 0.00 O -ATOM 359 CB PHE A 21 2.655 -1.033 1.020 1.00 0.00 C -ATOM 360 CG PHE A 21 2.326 -2.249 0.200 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.322 -3.491 0.819 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.055 -2.129 -1.172 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.035 -4.642 0.076 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.768 -3.280 -1.917 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.756 -4.536 -1.293 1.00 0.00 C -ATOM 366 H PHE A 21 3.659 0.984 1.988 1.00 0.00 H -ATOM 367 HA PHE A 21 4.506 -1.773 1.848 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.177 -1.103 1.977 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.304 -0.154 0.512 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.552 -3.557 1.873 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.071 -1.148 -1.658 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.025 -5.608 0.558 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.562 -3.202 -2.971 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.535 -5.423 -1.868 1.00 0.00 H -ATOM 375 N ILE A 22 4.412 -0.122 -1.013 1.00 0.00 N -ATOM 376 CA ILE A 22 4.940 -0.027 -2.413 1.00 0.00 C -ATOM 377 C ILE A 22 6.473 -0.074 -2.407 1.00 0.00 C -ATOM 378 O ILE A 22 7.097 -0.557 -3.333 1.00 0.00 O -ATOM 379 CB ILE A 22 4.433 1.334 -2.908 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.894 1.306 -2.986 1.00 0.00 C -ATOM 381 CG2 ILE A 22 5.008 1.638 -4.292 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.427 0.290 -4.028 1.00 0.00 C -ATOM 383 H ILE A 22 3.706 0.487 -0.722 1.00 0.00 H -ATOM 384 HA ILE A 22 4.527 -0.816 -3.031 1.00 0.00 H -ATOM 385 HB ILE A 22 4.743 2.103 -2.215 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.484 1.027 -2.029 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.532 2.286 -3.258 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.666 2.608 -4.620 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.669 0.882 -4.984 1.00 0.00 H -ATOM 390 HG23 ILE A 22 6.086 1.628 -4.245 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.915 -0.520 -3.534 1.00 0.00 H -ATOM 392 HD12 ILE A 22 3.277 -0.097 -4.567 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.753 0.775 -4.718 1.00 0.00 H -ATOM 394 N GLU A 23 7.068 0.422 -1.358 1.00 0.00 N -ATOM 395 CA GLU A 23 8.560 0.409 -1.261 1.00 0.00 C -ATOM 396 C GLU A 23 9.050 -1.023 -1.039 1.00 0.00 C -ATOM 397 O GLU A 23 9.900 -1.513 -1.759 1.00 0.00 O -ATOM 398 CB GLU A 23 8.897 1.292 -0.055 1.00 0.00 C -ATOM 399 CG GLU A 23 9.361 2.678 -0.532 1.00 0.00 C -ATOM 400 CD GLU A 23 10.750 2.989 0.036 1.00 0.00 C -ATOM 401 OE1 GLU A 23 11.716 2.473 -0.500 1.00 0.00 O -ATOM 402 OE2 GLU A 23 10.821 3.737 0.999 1.00 0.00 O -ATOM 403 H GLU A 23 6.527 0.797 -0.628 1.00 0.00 H -ATOM 404 HA GLU A 23 8.998 0.819 -2.157 1.00 0.00 H -ATOM 405 HB2 GLU A 23 8.016 1.402 0.563 1.00 0.00 H -ATOM 406 HB3 GLU A 23 9.682 0.825 0.521 1.00 0.00 H -ATOM 407 HG2 GLU A 23 9.405 2.696 -1.611 1.00 0.00 H -ATOM 408 HG3 GLU A 23 8.662 3.427 -0.190 1.00 0.00 H -ATOM 409 N LYS A 24 8.510 -1.700 -0.057 1.00 0.00 N -ATOM 410 CA LYS A 24 8.932 -3.109 0.204 1.00 0.00 C -ATOM 411 C LYS A 24 8.471 -4.001 -0.950 1.00 0.00 C -ATOM 412 O LYS A 24 9.244 -4.749 -1.519 1.00 0.00 O -ATOM 413 CB LYS A 24 8.232 -3.511 1.505 1.00 0.00 C -ATOM 414 CG LYS A 24 8.721 -2.618 2.648 1.00 0.00 C -ATOM 415 CD LYS A 24 7.655 -2.560 3.747 1.00 0.00 C -ATOM 416 CE LYS A 24 7.606 -1.149 4.350 1.00 0.00 C -ATOM 417 NZ LYS A 24 7.664 -1.354 5.824 1.00 0.00 N -ATOM 418 H LYS A 24 7.819 -1.284 0.501 1.00 0.00 H -ATOM 419 HA LYS A 24 10.003 -3.168 0.324 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.164 -3.395 1.389 1.00 0.00 H -ATOM 421 HB3 LYS A 24 8.460 -4.541 1.734 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.637 -3.024 3.055 1.00 0.00 H -ATOM 423 HG3 LYS A 24 8.904 -1.622 2.273 1.00 0.00 H -ATOM 424 HD2 LYS A 24 6.690 -2.803 3.326 1.00 0.00 H -ATOM 425 HD3 LYS A 24 7.898 -3.272 4.520 1.00 0.00 H -ATOM 426 HE2 LYS A 24 8.454 -0.566 4.016 1.00 0.00 H -ATOM 427 HE3 LYS A 24 6.683 -0.659 4.082 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 7.499 -0.448 6.308 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 8.601 -1.718 6.088 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 6.933 -2.038 6.108 1.00 0.00 H -ATOM 431 N PHE A 25 7.212 -3.920 -1.296 1.00 0.00 N -ATOM 432 CA PHE A 25 6.676 -4.746 -2.406 1.00 0.00 C -ATOM 433 C PHE A 25 6.874 -4.029 -3.746 1.00 0.00 C -ATOM 434 O PHE A 25 5.924 -3.713 -4.438 1.00 0.00 O -ATOM 435 CB PHE A 25 5.187 -4.915 -2.089 1.00 0.00 C -ATOM 436 CG PHE A 25 4.586 -5.985 -2.968 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.205 -7.237 -3.086 1.00 0.00 C -ATOM 438 CD2 PHE A 25 3.403 -5.723 -3.665 1.00 0.00 C -ATOM 439 CE1 PHE A 25 4.638 -8.224 -3.901 1.00 0.00 C -ATOM 440 CE2 PHE A 25 2.835 -6.709 -4.480 1.00 0.00 C -ATOM 441 CZ PHE A 25 3.452 -7.960 -4.598 1.00 0.00 C -ATOM 442 H PHE A 25 6.619 -3.314 -0.822 1.00 0.00 H -ATOM 443 HA PHE A 25 7.158 -5.701 -2.413 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.072 -5.197 -1.053 1.00 0.00 H -ATOM 445 HB3 PHE A 25 4.674 -3.980 -2.264 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.119 -7.439 -2.549 1.00 0.00 H -ATOM 447 HD2 PHE A 25 2.927 -4.757 -3.571 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.115 -9.189 -3.992 1.00 0.00 H -ATOM 449 HE2 PHE A 25 1.920 -6.505 -5.017 1.00 0.00 H -ATOM 450 HZ PHE A 25 3.015 -8.721 -5.226 1.00 0.00 H -ATOM 451 N LYS A 26 8.105 -3.767 -4.109 1.00 0.00 N -ATOM 452 CA LYS A 26 8.383 -3.066 -5.402 1.00 0.00 C -ATOM 453 C LYS A 26 7.803 -3.838 -6.592 1.00 0.00 C -ATOM 454 O LYS A 26 7.624 -3.292 -7.664 1.00 0.00 O -ATOM 455 CB LYS A 26 9.908 -3.005 -5.509 1.00 0.00 C -ATOM 456 CG LYS A 26 10.467 -2.110 -4.403 1.00 0.00 C -ATOM 457 CD LYS A 26 11.791 -1.496 -4.864 1.00 0.00 C -ATOM 458 CE LYS A 26 12.249 -0.443 -3.851 1.00 0.00 C -ATOM 459 NZ LYS A 26 11.775 0.854 -4.409 1.00 0.00 N -ATOM 460 H LYS A 26 8.848 -4.030 -3.525 1.00 0.00 H -ATOM 461 HA LYS A 26 7.980 -2.074 -5.378 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.315 -4.001 -5.408 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.185 -2.599 -6.471 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.760 -1.323 -4.184 1.00 0.00 H -ATOM 465 HG3 LYS A 26 10.636 -2.699 -3.514 1.00 0.00 H -ATOM 466 HD2 LYS A 26 12.539 -2.272 -4.941 1.00 0.00 H -ATOM 467 HD3 LYS A 26 11.654 -1.029 -5.828 1.00 0.00 H -ATOM 468 HE2 LYS A 26 11.796 -0.630 -2.887 1.00 0.00 H -ATOM 469 HE3 LYS A 26 13.324 -0.442 -3.770 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 12.202 1.004 -5.346 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 12.054 1.627 -3.772 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 10.740 0.837 -4.495 1.00 0.00 H -ATOM 473 N GLY A 27 7.514 -5.101 -6.416 1.00 0.00 N -ATOM 474 CA GLY A 27 6.950 -5.918 -7.536 1.00 0.00 C -ATOM 475 C GLY A 27 5.675 -5.264 -8.074 1.00 0.00 C -ATOM 476 O GLY A 27 5.703 -4.548 -9.058 1.00 0.00 O -ATOM 477 H GLY A 27 7.672 -5.516 -5.548 1.00 0.00 H -ATOM 478 HA2 GLY A 27 7.681 -5.990 -8.330 1.00 0.00 H -ATOM 479 HA3 GLY A 27 6.716 -6.907 -7.174 1.00 0.00 H -ATOM 480 N ARG A 28 4.560 -5.506 -7.435 1.00 0.00 N -ATOM 481 CA ARG A 28 3.277 -4.902 -7.902 1.00 0.00 C -ATOM 482 C ARG A 28 2.775 -3.871 -6.888 1.00 0.00 C -ATOM 483 O ARG A 28 2.906 -2.689 -7.162 1.00 0.00 O -ATOM 484 CB ARG A 28 2.304 -6.076 -7.996 1.00 0.00 C -ATOM 485 CG ARG A 28 1.082 -5.659 -8.815 1.00 0.00 C -ATOM 486 CD ARG A 28 0.485 -6.891 -9.493 1.00 0.00 C -ATOM 487 NE ARG A 28 -0.943 -6.543 -9.729 1.00 0.00 N -ATOM 488 CZ ARG A 28 -1.555 -6.981 -10.796 1.00 0.00 C -ATOM 489 NH1 ARG A 28 -0.969 -6.910 -11.960 1.00 0.00 N -ATOM 490 NH2 ARG A 28 -2.754 -7.486 -10.700 1.00 0.00 N -ATOM 491 OXT ARG A 28 2.269 -4.280 -5.856 1.00 0.00 O -ATOM 492 H ARG A 28 4.567 -6.086 -6.646 1.00 0.00 H -ATOM 493 HA ARG A 28 3.405 -4.449 -8.871 1.00 0.00 H -ATOM 494 HB2 ARG A 28 2.793 -6.911 -8.478 1.00 0.00 H -ATOM 495 HB3 ARG A 28 1.989 -6.365 -7.005 1.00 0.00 H -ATOM 496 HG2 ARG A 28 0.347 -5.213 -8.161 1.00 0.00 H -ATOM 497 HG3 ARG A 28 1.379 -4.943 -9.567 1.00 0.00 H -ATOM 498 HD2 ARG A 28 0.991 -7.083 -10.430 1.00 0.00 H -ATOM 499 HD3 ARG A 28 0.556 -7.747 -8.842 1.00 0.00 H -ATOM 500 HE ARG A 28 -1.426 -5.985 -9.083 1.00 0.00 H -ATOM 501 HH11 ARG A 28 -0.050 -6.520 -12.035 1.00 0.00 H -ATOM 502 HH12 ARG A 28 -1.437 -7.245 -12.777 1.00 0.00 H -ATOM 503 HH21 ARG A 28 -3.204 -7.538 -9.809 1.00 0.00 H -ATOM 504 HH22 ARG A 28 -3.221 -7.822 -11.518 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 14 -ATOM 1 N GLU A 1 -10.884 7.389 7.194 1.00 0.00 N -ATOM 2 CA GLU A 1 -11.752 7.204 5.996 1.00 0.00 C -ATOM 3 C GLU A 1 -11.029 7.697 4.738 1.00 0.00 C -ATOM 4 O GLU A 1 -10.860 8.884 4.535 1.00 0.00 O -ATOM 5 CB GLU A 1 -12.994 8.054 6.269 1.00 0.00 C -ATOM 6 CG GLU A 1 -14.162 7.537 5.428 1.00 0.00 C -ATOM 7 CD GLU A 1 -14.901 6.441 6.198 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -15.276 6.693 7.332 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.080 5.371 5.642 1.00 0.00 O -ATOM 10 H1 GLU A 1 -9.954 6.959 7.018 1.00 0.00 H -ATOM 11 H2 GLU A 1 -11.329 6.932 8.017 1.00 0.00 H -ATOM 12 H3 GLU A 1 -10.764 8.404 7.383 1.00 0.00 H -ATOM 13 HA GLU A 1 -12.032 6.168 5.889 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -13.248 7.991 7.318 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -12.791 9.082 6.008 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -14.841 8.351 5.216 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -13.786 7.131 4.501 1.00 0.00 H -ATOM 18 N GLN A 2 -10.606 6.789 3.897 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.892 7.190 2.647 1.00 0.00 C -ATOM 20 C GLN A 2 -10.174 6.177 1.534 1.00 0.00 C -ATOM 21 O GLN A 2 -10.956 5.262 1.702 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.408 7.179 3.021 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.701 8.359 2.349 1.00 0.00 C -ATOM 24 CD GLN A 2 -6.396 8.660 3.089 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -5.323 8.460 2.558 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -6.443 9.134 4.304 1.00 0.00 N -ATOM 27 H GLN A 2 -10.757 5.839 4.087 1.00 0.00 H -ATOM 28 HA GLN A 2 -10.190 8.181 2.343 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.307 7.260 4.094 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.960 6.255 2.686 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -7.484 8.110 1.321 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -8.341 9.228 2.383 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -7.310 9.295 4.734 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -5.613 9.330 4.786 1.00 0.00 H -ATOM 35 N TYR A 3 -9.542 6.337 0.397 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.767 5.387 -0.740 1.00 0.00 C -ATOM 37 C TYR A 3 -9.519 3.938 -0.305 1.00 0.00 C -ATOM 38 O TYR A 3 -9.172 3.674 0.831 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.782 5.805 -1.838 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.383 5.899 -1.282 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.698 4.745 -0.892 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.779 7.151 -1.153 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.408 4.845 -0.374 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.488 7.252 -0.635 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.799 6.099 -0.245 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.522 6.197 0.266 1.00 0.00 O -ATOM 47 H TYR A 3 -8.919 7.086 0.286 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.765 5.491 -1.105 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.803 5.079 -2.636 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -9.076 6.770 -2.222 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -7.163 3.775 -0.989 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -7.311 8.041 -1.455 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.885 3.957 -0.074 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -5.026 8.218 -0.534 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.927 5.747 -0.338 1.00 0.00 H -ATOM 56 N THR A 4 -9.699 3.002 -1.204 1.00 0.00 N -ATOM 57 CA THR A 4 -9.481 1.567 -0.852 1.00 0.00 C -ATOM 58 C THR A 4 -8.679 0.861 -1.952 1.00 0.00 C -ATOM 59 O THR A 4 -9.183 -0.004 -2.644 1.00 0.00 O -ATOM 60 CB THR A 4 -10.885 0.973 -0.736 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.655 1.361 -1.865 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.553 1.484 0.541 1.00 0.00 C -ATOM 63 H THR A 4 -9.981 3.245 -2.110 1.00 0.00 H -ATOM 64 HA THR A 4 -8.970 1.488 0.095 1.00 0.00 H -ATOM 65 HB THR A 4 -10.819 -0.103 -0.697 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.841 0.574 -2.383 1.00 0.00 H -ATOM 67 HG21 THR A 4 -10.987 1.155 1.399 1.00 0.00 H -ATOM 68 HG22 THR A 4 -12.559 1.096 0.602 1.00 0.00 H -ATOM 69 HG23 THR A 4 -11.585 2.564 0.522 1.00 0.00 H -ATOM 70 N ALA A 5 -7.430 1.220 -2.107 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.577 0.579 -3.144 1.00 0.00 C -ATOM 72 C ALA A 5 -6.143 -0.801 -2.673 1.00 0.00 C -ATOM 73 O ALA A 5 -5.652 -0.943 -1.581 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.347 1.474 -3.267 1.00 0.00 C -ATOM 75 H ALA A 5 -7.054 1.908 -1.536 1.00 0.00 H -ATOM 76 HA ALA A 5 -7.097 0.527 -4.078 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.632 2.503 -3.112 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.919 1.359 -4.251 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.622 1.180 -2.518 1.00 0.00 H -ATOM 80 N LYS A 6 -6.298 -1.809 -3.487 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.866 -3.180 -3.063 1.00 0.00 C -ATOM 82 C LYS A 6 -4.656 -3.627 -3.886 1.00 0.00 C -ATOM 83 O LYS A 6 -4.531 -3.300 -5.051 1.00 0.00 O -ATOM 84 CB LYS A 6 -7.067 -4.097 -3.312 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.517 -3.988 -4.768 1.00 0.00 C -ATOM 86 CD LYS A 6 -8.375 -5.200 -5.133 1.00 0.00 C -ATOM 87 CE LYS A 6 -9.476 -4.774 -6.108 1.00 0.00 C -ATOM 88 NZ LYS A 6 -10.131 -6.043 -6.527 1.00 0.00 N -ATOM 89 H LYS A 6 -6.683 -1.666 -4.375 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.618 -3.181 -2.014 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.785 -5.117 -3.097 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.880 -3.805 -2.664 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -8.092 -3.083 -4.896 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.648 -3.955 -5.409 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.756 -5.954 -5.597 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.826 -5.604 -4.239 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -10.187 -4.127 -5.612 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -9.048 -4.278 -6.965 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -10.421 -6.579 -5.683 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -9.463 -6.611 -7.086 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -10.967 -5.828 -7.106 1.00 0.00 H -ATOM 102 N TYR A 7 -3.761 -4.362 -3.278 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.543 -4.828 -4.006 1.00 0.00 C -ATOM 104 C TYR A 7 -2.414 -6.353 -3.912 1.00 0.00 C -ATOM 105 O TYR A 7 -2.725 -7.069 -4.846 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.383 -4.131 -3.300 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.361 -2.690 -3.721 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.340 -1.816 -3.250 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.367 -2.236 -4.586 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.329 -0.476 -3.648 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.345 -0.899 -4.984 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.328 -0.013 -4.516 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.313 1.307 -4.914 1.00 0.00 O -ATOM 114 H TYR A 7 -3.887 -4.602 -2.336 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.581 -4.513 -5.037 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.519 -4.191 -2.229 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.452 -4.602 -3.575 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -3.103 -2.175 -2.579 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.386 -2.920 -4.946 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -3.085 0.204 -3.274 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.436 -0.548 -5.643 1.00 0.00 H -ATOM 122 HH TYR A 7 -2.210 1.558 -5.146 1.00 0.00 H -ATOM 123 N LYS A 8 -1.964 -6.853 -2.788 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.819 -8.328 -2.617 1.00 0.00 C -ATOM 125 C LYS A 8 -2.726 -8.797 -1.480 1.00 0.00 C -ATOM 126 O LYS A 8 -2.281 -9.418 -0.531 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.347 -8.540 -2.258 1.00 0.00 C -ATOM 128 CG LYS A 8 0.466 -8.743 -3.537 1.00 0.00 C -ATOM 129 CD LYS A 8 0.441 -10.221 -3.928 1.00 0.00 C -ATOM 130 CE LYS A 8 1.751 -10.585 -4.631 1.00 0.00 C -ATOM 131 NZ LYS A 8 2.662 -11.031 -3.539 1.00 0.00 N -ATOM 132 H LYS A 8 -1.727 -6.254 -2.050 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.058 -8.845 -3.534 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.022 -7.674 -1.729 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.252 -9.414 -1.632 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.038 -8.151 -4.334 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.487 -8.434 -3.369 1.00 0.00 H -ATOM 138 HD2 LYS A 8 0.328 -10.826 -3.040 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -0.386 -10.403 -4.596 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.587 -11.386 -5.338 1.00 0.00 H -ATOM 141 HE3 LYS A 8 2.165 -9.721 -5.127 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 2.278 -11.888 -3.095 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 2.742 -10.279 -2.826 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 3.602 -11.237 -3.935 1.00 0.00 H -ATOM 145 N GLY A 9 -3.994 -8.485 -1.561 1.00 0.00 N -ATOM 146 CA GLY A 9 -4.940 -8.886 -0.482 1.00 0.00 C -ATOM 147 C GLY A 9 -4.816 -7.892 0.673 1.00 0.00 C -ATOM 148 O GLY A 9 -4.979 -8.242 1.827 1.00 0.00 O -ATOM 149 H GLY A 9 -4.320 -7.971 -2.330 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -5.951 -8.877 -0.865 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.692 -9.876 -0.131 1.00 0.00 H -ATOM 152 N ARG A 10 -4.519 -6.654 0.364 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.369 -5.621 1.432 1.00 0.00 C -ATOM 154 C ARG A 10 -4.832 -4.260 0.914 1.00 0.00 C -ATOM 155 O ARG A 10 -4.101 -3.582 0.217 1.00 0.00 O -ATOM 156 CB ARG A 10 -2.868 -5.568 1.738 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.370 -6.956 2.155 1.00 0.00 C -ATOM 158 CD ARG A 10 -0.931 -6.852 2.666 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.055 -6.340 4.059 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.915 -5.066 4.301 1.00 0.00 C -ATOM 161 NH1 ARG A 10 0.188 -4.455 3.961 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.876 -4.402 4.883 1.00 0.00 N -ATOM 163 H ARG A 10 -4.387 -6.405 -0.574 1.00 0.00 H -ATOM 164 HA ARG A 10 -4.919 -5.901 2.316 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.333 -5.238 0.854 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.691 -4.870 2.542 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.004 -7.345 2.938 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.400 -7.620 1.304 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.460 -7.825 2.659 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -0.369 -6.154 2.064 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.242 -6.961 4.794 1.00 0.00 H -ATOM 172 HH11 ARG A 10 0.923 -4.964 3.516 1.00 0.00 H -ATOM 173 HH12 ARG A 10 0.295 -3.479 4.146 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -2.720 -4.870 5.144 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -1.768 -3.425 5.069 1.00 0.00 H -ATOM 176 N THR A 11 -6.030 -3.848 1.249 1.00 0.00 N -ATOM 177 CA THR A 11 -6.508 -2.520 0.769 1.00 0.00 C -ATOM 178 C THR A 11 -5.671 -1.414 1.424 1.00 0.00 C -ATOM 179 O THR A 11 -5.025 -1.637 2.431 1.00 0.00 O -ATOM 180 CB THR A 11 -7.968 -2.406 1.206 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.708 -3.497 0.675 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.544 -1.086 0.681 1.00 0.00 C -ATOM 183 H THR A 11 -6.604 -4.404 1.816 1.00 0.00 H -ATOM 184 HA THR A 11 -6.441 -2.470 -0.307 1.00 0.00 H -ATOM 185 HB THR A 11 -8.026 -2.417 2.283 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.616 -4.239 1.278 1.00 0.00 H -ATOM 187 HG21 THR A 11 -8.413 -0.314 1.424 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.596 -1.210 0.469 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.025 -0.803 -0.224 1.00 0.00 H -ATOM 190 N PHE A 12 -5.680 -0.229 0.868 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.889 0.886 1.466 1.00 0.00 C -ATOM 192 C PHE A 12 -5.769 2.120 1.655 1.00 0.00 C -ATOM 193 O PHE A 12 -6.439 2.563 0.743 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.760 1.166 0.470 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.714 0.094 0.610 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -1.667 0.239 1.531 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -2.801 -1.052 -0.183 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -0.702 -0.771 1.648 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -1.840 -2.062 -0.063 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.790 -1.919 0.849 1.00 0.00 C -ATOM 201 H PHE A 12 -6.208 -0.072 0.059 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.473 0.579 2.413 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.148 1.156 -0.545 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.319 2.127 0.682 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -1.606 1.128 2.152 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -3.610 -1.150 -0.893 1.00 0.00 H -ATOM 207 HE1 PHE A 12 0.115 -0.661 2.348 1.00 0.00 H -ATOM 208 HE2 PHE A 12 -1.911 -2.955 -0.669 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.050 -2.698 0.939 1.00 0.00 H -ATOM 210 N ARG A 13 -5.765 2.673 2.837 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.587 3.888 3.112 1.00 0.00 C -ATOM 212 C ARG A 13 -5.681 4.990 3.663 1.00 0.00 C -ATOM 213 O ARG A 13 -6.064 5.755 4.527 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.621 3.451 4.160 1.00 0.00 C -ATOM 215 CG ARG A 13 -6.914 2.922 5.414 1.00 0.00 C -ATOM 216 CD ARG A 13 -7.953 2.557 6.481 1.00 0.00 C -ATOM 217 NE ARG A 13 -7.945 1.067 6.535 1.00 0.00 N -ATOM 218 CZ ARG A 13 -7.226 0.452 7.434 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -5.988 0.813 7.638 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -7.744 -0.525 8.127 1.00 0.00 N -ATOM 221 H ARG A 13 -5.210 2.292 3.548 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.083 4.220 2.214 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.239 4.297 4.426 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.243 2.672 3.745 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -6.337 2.046 5.158 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -6.256 3.684 5.803 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -7.668 2.971 7.438 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -8.932 2.911 6.195 1.00 0.00 H -ATOM 229 HE ARG A 13 -8.479 0.551 5.896 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -5.591 1.561 7.107 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -5.438 0.341 8.326 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -8.692 -0.801 7.970 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -7.193 -0.997 8.816 1.00 0.00 H -ATOM 234 N ASN A 14 -4.473 5.059 3.167 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.509 6.091 3.649 1.00 0.00 C -ATOM 236 C ASN A 14 -2.297 6.144 2.710 1.00 0.00 C -ATOM 237 O ASN A 14 -1.744 5.125 2.338 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.112 5.619 5.056 1.00 0.00 C -ATOM 239 CG ASN A 14 -1.959 6.462 5.603 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -0.861 5.975 5.778 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.171 7.713 5.879 1.00 0.00 N -ATOM 242 H ASN A 14 -4.196 4.420 2.476 1.00 0.00 H -ATOM 243 HA ASN A 14 -3.987 7.057 3.703 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.961 5.722 5.715 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.811 4.583 5.017 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -3.060 8.098 5.735 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.446 8.268 6.234 1.00 0.00 H -ATOM 248 N GLU A 15 -1.884 7.325 2.332 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.707 7.458 1.419 1.00 0.00 C -ATOM 250 C GLU A 15 0.559 6.957 2.119 1.00 0.00 C -ATOM 251 O GLU A 15 1.356 6.242 1.543 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.601 8.955 1.121 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.217 9.160 -0.348 1.00 0.00 C -ATOM 254 CD GLU A 15 0.504 10.501 -0.514 1.00 0.00 C -ATOM 255 OE1 GLU A 15 0.217 11.409 0.250 1.00 0.00 O -ATOM 256 OE2 GLU A 15 1.328 10.599 -1.408 1.00 0.00 O -ATOM 257 H GLU A 15 -2.350 8.128 2.651 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.875 6.910 0.506 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.554 9.427 1.314 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.154 9.397 1.754 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.436 8.359 -0.663 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -1.109 9.156 -0.956 1.00 0.00 H -ATOM 263 N LYS A 16 0.746 7.328 3.362 1.00 0.00 N -ATOM 264 CA LYS A 16 1.959 6.880 4.116 1.00 0.00 C -ATOM 265 C LYS A 16 2.046 5.356 4.128 1.00 0.00 C -ATOM 266 O LYS A 16 3.103 4.775 3.973 1.00 0.00 O -ATOM 267 CB LYS A 16 1.764 7.411 5.538 1.00 0.00 C -ATOM 268 CG LYS A 16 3.127 7.689 6.174 1.00 0.00 C -ATOM 269 CD LYS A 16 2.934 8.515 7.448 1.00 0.00 C -ATOM 270 CE LYS A 16 2.733 9.988 7.079 1.00 0.00 C -ATOM 271 NZ LYS A 16 1.610 10.452 7.942 1.00 0.00 N -ATOM 272 H LYS A 16 0.091 7.904 3.798 1.00 0.00 H -ATOM 273 HA LYS A 16 2.836 7.301 3.684 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.187 8.323 5.506 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.238 6.672 6.125 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.607 6.752 6.420 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.744 8.239 5.479 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.067 8.154 7.982 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.809 8.420 8.074 1.00 0.00 H -ATOM 280 HE2 LYS A 16 3.630 10.554 7.291 1.00 0.00 H -ATOM 281 HE3 LYS A 16 2.463 10.084 6.039 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 1.804 10.197 8.931 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 0.726 9.997 7.634 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 1.516 11.483 7.865 1.00 0.00 H -ATOM 285 N GLU A 17 0.931 4.720 4.313 1.00 0.00 N -ATOM 286 CA GLU A 17 0.898 3.225 4.343 1.00 0.00 C -ATOM 287 C GLU A 17 1.343 2.652 2.998 1.00 0.00 C -ATOM 288 O GLU A 17 2.382 2.032 2.880 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.572 2.858 4.582 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.866 2.735 6.075 1.00 0.00 C -ATOM 291 CD GLU A 17 -0.005 1.627 6.690 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.007 0.540 6.139 1.00 0.00 O -ATOM 293 OE2 GLU A 17 0.626 1.887 7.702 1.00 0.00 O -ATOM 294 H GLU A 17 0.109 5.234 4.432 1.00 0.00 H -ATOM 295 HA GLU A 17 1.512 2.845 5.142 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.203 3.626 4.158 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.786 1.916 4.100 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.652 3.675 6.563 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.908 2.489 6.205 1.00 0.00 H -ATOM 300 N LEU A 18 0.532 2.838 1.991 1.00 0.00 N -ATOM 301 CA LEU A 18 0.847 2.293 0.638 1.00 0.00 C -ATOM 302 C LEU A 18 2.249 2.694 0.172 1.00 0.00 C -ATOM 303 O LEU A 18 3.006 1.863 -0.283 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.225 2.884 -0.282 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.170 2.199 -1.645 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.657 0.752 -1.519 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.067 2.955 -2.632 1.00 0.00 C -ATOM 308 H LEU A 18 -0.305 3.321 2.135 1.00 0.00 H -ATOM 309 HA LEU A 18 0.762 1.224 0.652 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.199 2.733 0.159 1.00 0.00 H -ATOM 311 HB3 LEU A 18 -0.047 3.942 -0.406 1.00 0.00 H -ATOM 312 HG LEU A 18 0.844 2.206 -2.005 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.352 0.342 -0.573 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.236 0.158 -2.315 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.733 0.731 -1.586 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.023 2.459 -2.705 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -0.597 2.973 -3.604 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.213 3.968 -2.286 1.00 0.00 H -ATOM 319 N ARG A 19 2.614 3.950 0.279 1.00 0.00 N -ATOM 320 CA ARG A 19 3.985 4.365 -0.171 1.00 0.00 C -ATOM 321 C ARG A 19 5.047 3.488 0.511 1.00 0.00 C -ATOM 322 O ARG A 19 6.056 3.149 -0.077 1.00 0.00 O -ATOM 323 CB ARG A 19 4.134 5.825 0.253 1.00 0.00 C -ATOM 324 CG ARG A 19 3.368 6.723 -0.722 1.00 0.00 C -ATOM 325 CD ARG A 19 4.060 8.086 -0.813 1.00 0.00 C -ATOM 326 NE ARG A 19 3.983 8.650 0.564 1.00 0.00 N -ATOM 327 CZ ARG A 19 3.336 9.762 0.778 1.00 0.00 C -ATOM 328 NH1 ARG A 19 3.510 10.782 -0.019 1.00 0.00 N -ATOM 329 NH2 ARG A 19 2.514 9.856 1.787 1.00 0.00 N -ATOM 330 H ARG A 19 1.995 4.613 0.651 1.00 0.00 H -ATOM 331 HA ARG A 19 4.063 4.276 -1.247 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.739 5.952 1.249 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.177 6.095 0.241 1.00 0.00 H -ATOM 334 HG2 ARG A 19 3.350 6.262 -1.699 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.357 6.859 -0.368 1.00 0.00 H -ATOM 336 HD2 ARG A 19 5.092 7.962 -1.114 1.00 0.00 H -ATOM 337 HD3 ARG A 19 3.539 8.728 -1.505 1.00 0.00 H -ATOM 338 HE ARG A 19 4.418 8.185 1.309 1.00 0.00 H -ATOM 339 HH11 ARG A 19 4.139 10.710 -0.793 1.00 0.00 H -ATOM 340 HH12 ARG A 19 3.015 11.635 0.147 1.00 0.00 H -ATOM 341 HH21 ARG A 19 2.380 9.075 2.397 1.00 0.00 H -ATOM 342 HH22 ARG A 19 2.019 10.709 1.951 1.00 0.00 H -ATOM 343 N ASP A 20 4.795 3.090 1.735 1.00 0.00 N -ATOM 344 CA ASP A 20 5.755 2.196 2.445 1.00 0.00 C -ATOM 345 C ASP A 20 5.624 0.796 1.846 1.00 0.00 C -ATOM 346 O ASP A 20 6.598 0.113 1.591 1.00 0.00 O -ATOM 347 CB ASP A 20 5.312 2.204 3.911 1.00 0.00 C -ATOM 348 CG ASP A 20 6.186 3.180 4.703 1.00 0.00 C -ATOM 349 OD1 ASP A 20 5.984 4.374 4.561 1.00 0.00 O -ATOM 350 OD2 ASP A 20 7.041 2.715 5.438 1.00 0.00 O -ATOM 351 H ASP A 20 3.957 3.354 2.170 1.00 0.00 H -ATOM 352 HA ASP A 20 6.765 2.563 2.351 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.278 2.514 3.973 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.417 1.214 4.325 1.00 0.00 H -ATOM 355 N PHE A 21 4.408 0.392 1.589 1.00 0.00 N -ATOM 356 CA PHE A 21 4.154 -0.942 0.963 1.00 0.00 C -ATOM 357 C PHE A 21 4.810 -0.983 -0.421 1.00 0.00 C -ATOM 358 O PHE A 21 5.672 -1.789 -0.711 1.00 0.00 O -ATOM 359 CB PHE A 21 2.631 -1.010 0.796 1.00 0.00 C -ATOM 360 CG PHE A 21 2.286 -2.222 -0.023 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.292 -3.468 0.588 1.00 0.00 C -ATOM 362 CD2 PHE A 21 1.985 -2.094 -1.388 1.00 0.00 C -ATOM 363 CE1 PHE A 21 1.987 -4.613 -0.154 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.682 -3.240 -2.135 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.681 -4.500 -1.517 1.00 0.00 C -ATOM 366 H PHE A 21 3.654 0.988 1.786 1.00 0.00 H -ATOM 367 HA PHE A 21 4.493 -1.757 1.590 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.168 -1.081 1.761 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.273 -0.127 0.297 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.541 -3.539 1.637 1.00 0.00 H -ATOM 371 HD2 PHE A 21 1.999 -1.113 -1.868 1.00 0.00 H -ATOM 372 HE1 PHE A 21 1.991 -5.584 0.320 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.449 -3.155 -3.184 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.445 -5.383 -2.093 1.00 0.00 H -ATOM 375 N ILE A 22 4.353 -0.105 -1.270 1.00 0.00 N -ATOM 376 CA ILE A 22 4.860 -0.016 -2.680 1.00 0.00 C -ATOM 377 C ILE A 22 6.393 -0.061 -2.695 1.00 0.00 C -ATOM 378 O ILE A 22 7.007 -0.545 -3.627 1.00 0.00 O -ATOM 379 CB ILE A 22 4.351 1.343 -3.180 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.810 1.332 -3.210 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.889 1.619 -4.586 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.294 0.331 -4.240 1.00 0.00 C -ATOM 383 H ILE A 22 3.653 0.505 -0.970 1.00 0.00 H -ATOM 384 HA ILE A 22 4.439 -0.808 -3.288 1.00 0.00 H -ATOM 385 HB ILE A 22 4.691 2.118 -2.509 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.429 1.050 -2.243 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.451 2.318 -3.462 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.558 2.592 -4.914 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.512 0.862 -5.260 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.967 1.585 -4.573 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.745 -0.446 -3.734 1.00 0.00 H -ATOM 392 HD12 ILE A 22 3.124 -0.103 -4.774 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.646 0.842 -4.934 1.00 0.00 H -ATOM 394 N GLU A 23 7.001 0.441 -1.654 1.00 0.00 N -ATOM 395 CA GLU A 23 8.490 0.436 -1.573 1.00 0.00 C -ATOM 396 C GLU A 23 8.970 -0.853 -0.903 1.00 0.00 C -ATOM 397 O GLU A 23 9.953 -1.444 -1.312 1.00 0.00 O -ATOM 398 CB GLU A 23 8.849 1.652 -0.719 1.00 0.00 C -ATOM 399 CG GLU A 23 10.352 1.919 -0.817 1.00 0.00 C -ATOM 400 CD GLU A 23 10.689 2.434 -2.217 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.281 3.539 -2.534 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.349 1.715 -2.948 1.00 0.00 O -ATOM 403 H GLU A 23 6.468 0.819 -0.919 1.00 0.00 H -ATOM 404 HA GLU A 23 8.921 0.532 -2.557 1.00 0.00 H -ATOM 405 HB2 GLU A 23 8.305 2.515 -1.075 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.585 1.461 0.310 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.635 2.659 -0.081 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.892 1.003 -0.632 1.00 0.00 H -ATOM 409 N LYS A 24 8.277 -1.296 0.116 1.00 0.00 N -ATOM 410 CA LYS A 24 8.684 -2.556 0.810 1.00 0.00 C -ATOM 411 C LYS A 24 8.555 -3.735 -0.157 1.00 0.00 C -ATOM 412 O LYS A 24 9.453 -4.545 -0.287 1.00 0.00 O -ATOM 413 CB LYS A 24 7.708 -2.711 1.978 1.00 0.00 C -ATOM 414 CG LYS A 24 8.281 -3.698 2.997 1.00 0.00 C -ATOM 415 CD LYS A 24 9.065 -2.933 4.065 1.00 0.00 C -ATOM 416 CE LYS A 24 8.087 -2.222 5.004 1.00 0.00 C -ATOM 417 NZ LYS A 24 8.930 -1.714 6.122 1.00 0.00 N -ATOM 418 H LYS A 24 7.485 -0.804 0.417 1.00 0.00 H -ATOM 419 HA LYS A 24 9.694 -2.476 1.177 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.558 -1.751 2.451 1.00 0.00 H -ATOM 421 HB3 LYS A 24 6.763 -3.083 1.612 1.00 0.00 H -ATOM 422 HG2 LYS A 24 7.474 -4.244 3.463 1.00 0.00 H -ATOM 423 HG3 LYS A 24 8.941 -4.390 2.496 1.00 0.00 H -ATOM 424 HD2 LYS A 24 9.671 -3.626 4.632 1.00 0.00 H -ATOM 425 HD3 LYS A 24 9.702 -2.202 3.590 1.00 0.00 H -ATOM 426 HE2 LYS A 24 7.604 -1.402 4.490 1.00 0.00 H -ATOM 427 HE3 LYS A 24 7.354 -2.917 5.380 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 8.317 -1.312 6.862 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 9.573 -0.980 5.766 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 9.487 -2.496 6.520 1.00 0.00 H -ATOM 431 N PHE A 25 7.440 -3.826 -0.838 1.00 0.00 N -ATOM 432 CA PHE A 25 7.233 -4.941 -1.806 1.00 0.00 C -ATOM 433 C PHE A 25 8.331 -4.904 -2.894 1.00 0.00 C -ATOM 434 O PHE A 25 9.411 -5.430 -2.703 1.00 0.00 O -ATOM 435 CB PHE A 25 5.810 -4.716 -2.367 1.00 0.00 C -ATOM 436 CG PHE A 25 5.546 -5.614 -3.559 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.730 -6.997 -3.462 1.00 0.00 C -ATOM 438 CD2 PHE A 25 5.127 -5.047 -4.769 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.491 -7.813 -4.577 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.891 -5.856 -5.882 1.00 0.00 C -ATOM 441 CZ PHE A 25 5.073 -7.242 -5.787 1.00 0.00 C -ATOM 442 H PHE A 25 6.739 -3.158 -0.709 1.00 0.00 H -ATOM 443 HA PHE A 25 7.270 -5.874 -1.291 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.086 -4.932 -1.596 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.705 -3.685 -2.671 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.052 -7.436 -2.529 1.00 0.00 H -ATOM 447 HD2 PHE A 25 4.986 -3.978 -4.840 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.631 -8.882 -4.503 1.00 0.00 H -ATOM 449 HE2 PHE A 25 4.572 -5.411 -6.814 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.892 -7.871 -6.646 1.00 0.00 H -ATOM 451 N LYS A 26 8.061 -4.310 -4.026 1.00 0.00 N -ATOM 452 CA LYS A 26 9.059 -4.254 -5.124 1.00 0.00 C -ATOM 453 C LYS A 26 8.822 -3.004 -5.974 1.00 0.00 C -ATOM 454 O LYS A 26 9.594 -2.065 -5.957 1.00 0.00 O -ATOM 455 CB LYS A 26 8.772 -5.514 -5.930 1.00 0.00 C -ATOM 456 CG LYS A 26 9.131 -6.743 -5.102 1.00 0.00 C -ATOM 457 CD LYS A 26 9.202 -7.972 -6.011 1.00 0.00 C -ATOM 458 CE LYS A 26 9.378 -9.231 -5.159 1.00 0.00 C -ATOM 459 NZ LYS A 26 9.293 -10.362 -6.124 1.00 0.00 N -ATOM 460 H LYS A 26 7.198 -3.914 -4.165 1.00 0.00 H -ATOM 461 HA LYS A 26 10.055 -4.272 -4.743 1.00 0.00 H -ATOM 462 HB2 LYS A 26 7.718 -5.542 -6.163 1.00 0.00 H -ATOM 463 HB3 LYS A 26 9.351 -5.507 -6.841 1.00 0.00 H -ATOM 464 HG2 LYS A 26 10.085 -6.589 -4.622 1.00 0.00 H -ATOM 465 HG3 LYS A 26 8.369 -6.896 -4.352 1.00 0.00 H -ATOM 466 HD2 LYS A 26 8.290 -8.049 -6.584 1.00 0.00 H -ATOM 467 HD3 LYS A 26 10.043 -7.874 -6.683 1.00 0.00 H -ATOM 468 HE2 LYS A 26 10.342 -9.221 -4.669 1.00 0.00 H -ATOM 469 HE3 LYS A 26 8.586 -9.306 -4.431 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 9.369 -11.264 -5.609 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 10.067 -10.289 -6.813 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 8.382 -10.324 -6.624 1.00 0.00 H -ATOM 473 N GLY A 27 7.747 -3.000 -6.709 1.00 0.00 N -ATOM 474 CA GLY A 27 7.408 -1.835 -7.573 1.00 0.00 C -ATOM 475 C GLY A 27 7.926 -2.071 -8.997 1.00 0.00 C -ATOM 476 O GLY A 27 7.316 -1.648 -9.961 1.00 0.00 O -ATOM 477 H GLY A 27 7.156 -3.773 -6.685 1.00 0.00 H -ATOM 478 HA2 GLY A 27 6.332 -1.717 -7.598 1.00 0.00 H -ATOM 479 HA3 GLY A 27 7.861 -0.943 -7.170 1.00 0.00 H -ATOM 480 N ARG A 28 9.044 -2.740 -9.134 1.00 0.00 N -ATOM 481 CA ARG A 28 9.603 -3.003 -10.496 1.00 0.00 C -ATOM 482 C ARG A 28 8.837 -4.144 -11.172 1.00 0.00 C -ATOM 483 O ARG A 28 8.813 -4.174 -12.392 1.00 0.00 O -ATOM 484 CB ARG A 28 11.060 -3.403 -10.258 1.00 0.00 C -ATOM 485 CG ARG A 28 11.872 -3.161 -11.532 1.00 0.00 C -ATOM 486 CD ARG A 28 13.169 -3.970 -11.471 1.00 0.00 C -ATOM 487 NE ARG A 28 14.016 -3.423 -12.567 1.00 0.00 N -ATOM 488 CZ ARG A 28 13.806 -3.796 -13.800 1.00 0.00 C -ATOM 489 NH1 ARG A 28 12.907 -3.187 -14.522 1.00 0.00 N -ATOM 490 NH2 ARG A 28 14.496 -4.779 -14.311 1.00 0.00 N -ATOM 491 OXT ARG A 28 8.288 -4.967 -10.458 1.00 0.00 O -ATOM 492 H ARG A 28 9.516 -3.070 -8.343 1.00 0.00 H -ATOM 493 HA ARG A 28 9.560 -2.110 -11.100 1.00 0.00 H -ATOM 494 HB2 ARG A 28 11.468 -2.812 -9.452 1.00 0.00 H -ATOM 495 HB3 ARG A 28 11.108 -4.450 -9.998 1.00 0.00 H -ATOM 496 HG2 ARG A 28 11.294 -3.469 -12.391 1.00 0.00 H -ATOM 497 HG3 ARG A 28 12.109 -2.111 -11.614 1.00 0.00 H -ATOM 498 HD2 ARG A 28 13.653 -3.831 -10.513 1.00 0.00 H -ATOM 499 HD3 ARG A 28 12.969 -5.016 -11.644 1.00 0.00 H -ATOM 500 HE ARG A 28 14.729 -2.783 -12.363 1.00 0.00 H -ATOM 501 HH11 ARG A 28 12.377 -2.433 -14.131 1.00 0.00 H -ATOM 502 HH12 ARG A 28 12.746 -3.472 -15.467 1.00 0.00 H -ATOM 503 HH21 ARG A 28 15.186 -5.247 -13.757 1.00 0.00 H -ATOM 504 HH22 ARG A 28 14.335 -5.066 -15.255 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 15 -ATOM 1 N GLU A 1 -10.992 8.320 6.524 1.00 0.00 N -ATOM 2 CA GLU A 1 -11.684 7.782 5.317 1.00 0.00 C -ATOM 3 C GLU A 1 -10.893 8.133 4.054 1.00 0.00 C -ATOM 4 O GLU A 1 -10.725 9.290 3.719 1.00 0.00 O -ATOM 5 CB GLU A 1 -13.049 8.470 5.303 1.00 0.00 C -ATOM 6 CG GLU A 1 -13.903 7.887 4.176 1.00 0.00 C -ATOM 7 CD GLU A 1 -15.371 7.869 4.604 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -16.030 8.882 4.432 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.813 6.843 5.095 1.00 0.00 O -ATOM 10 H1 GLU A 1 -10.934 9.355 6.457 1.00 0.00 H -ATOM 11 H2 GLU A 1 -10.033 7.920 6.579 1.00 0.00 H -ATOM 12 H3 GLU A 1 -11.527 8.059 7.376 1.00 0.00 H -ATOM 13 HA GLU A 1 -11.810 6.714 5.399 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -13.543 8.309 6.251 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -12.917 9.529 5.140 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -13.793 8.494 3.290 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -13.580 6.878 3.964 1.00 0.00 H -ATOM 18 N GLN A 2 -10.410 7.140 3.352 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.629 7.406 2.106 1.00 0.00 C -ATOM 20 C GLN A 2 -9.921 6.329 1.058 1.00 0.00 C -ATOM 21 O GLN A 2 -10.699 5.422 1.281 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.156 7.351 2.535 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.547 8.758 2.506 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.567 9.314 1.077 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -8.006 8.656 0.156 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -7.103 10.513 0.854 1.00 0.00 N -ATOM 27 H GLN A 2 -10.561 6.217 3.645 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.865 8.384 1.716 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.087 6.951 3.536 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.607 6.713 1.858 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -8.118 9.409 3.152 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -6.526 8.713 2.854 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -6.748 11.047 1.596 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -7.109 10.880 -0.054 1.00 0.00 H -ATOM 35 N TYR A 3 -9.294 6.430 -0.085 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.512 5.425 -1.176 1.00 0.00 C -ATOM 37 C TYR A 3 -9.326 3.991 -0.665 1.00 0.00 C -ATOM 38 O TYR A 3 -8.981 3.769 0.481 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.470 5.754 -2.254 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.096 5.867 -1.638 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.453 4.736 -1.131 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.475 7.116 -1.567 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.188 4.854 -0.558 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.209 7.235 -0.993 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.562 6.104 -0.489 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.310 6.218 0.074 1.00 0.00 O -ATOM 47 H TYR A 3 -8.675 7.175 -0.233 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.490 5.541 -1.586 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.467 4.975 -3.000 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.730 6.695 -2.715 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.930 3.770 -1.178 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.975 7.990 -1.958 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.696 3.981 -0.170 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.735 8.199 -0.935 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.761 6.729 -0.525 1.00 0.00 H -ATOM 56 N THR A 4 -9.556 3.020 -1.513 1.00 0.00 N -ATOM 57 CA THR A 4 -9.398 1.595 -1.097 1.00 0.00 C -ATOM 58 C THR A 4 -8.552 0.835 -2.126 1.00 0.00 C -ATOM 59 O THR A 4 -9.021 -0.075 -2.783 1.00 0.00 O -ATOM 60 CB THR A 4 -10.823 1.036 -1.049 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.529 1.444 -2.212 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.538 1.562 0.197 1.00 0.00 C -ATOM 63 H THR A 4 -9.833 3.231 -2.430 1.00 0.00 H -ATOM 64 HA THR A 4 -8.947 1.536 -0.120 1.00 0.00 H -ATOM 65 HB THR A 4 -10.787 -0.042 -1.009 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.736 0.659 -2.723 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.104 2.507 0.488 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.427 0.852 1.002 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.587 1.700 -0.021 1.00 0.00 H -ATOM 70 N ALA A 5 -7.306 1.206 -2.261 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.409 0.523 -3.233 1.00 0.00 C -ATOM 72 C ALA A 5 -6.028 -0.854 -2.713 1.00 0.00 C -ATOM 73 O ALA A 5 -5.594 -0.982 -1.594 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.156 1.391 -3.307 1.00 0.00 C -ATOM 75 H ALA A 5 -6.960 1.932 -1.721 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.875 0.461 -4.195 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.433 2.433 -3.255 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.640 1.199 -4.236 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.506 1.146 -2.475 1.00 0.00 H -ATOM 80 N LYS A 6 -6.163 -1.873 -3.514 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.781 -3.243 -3.047 1.00 0.00 C -ATOM 82 C LYS A 6 -4.555 -3.733 -3.817 1.00 0.00 C -ATOM 83 O LYS A 6 -4.394 -3.457 -4.991 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.992 -4.142 -3.316 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.424 -4.024 -4.780 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.854 -5.396 -5.306 1.00 0.00 C -ATOM 87 CE LYS A 6 -8.565 -5.229 -6.652 1.00 0.00 C -ATOM 88 NZ LYS A 6 -7.503 -4.778 -7.595 1.00 0.00 N -ATOM 89 H LYS A 6 -6.500 -1.738 -4.423 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.568 -3.226 -1.989 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.725 -5.167 -3.099 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.807 -3.841 -2.675 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -8.252 -3.335 -4.851 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.599 -3.657 -5.369 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -6.982 -6.022 -5.432 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.529 -5.857 -4.600 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -8.982 -6.173 -6.975 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -9.337 -4.480 -6.579 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -7.897 -4.708 -8.554 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -6.721 -5.464 -7.592 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -7.148 -3.846 -7.296 1.00 0.00 H -ATOM 102 N TYR A 7 -3.685 -4.449 -3.154 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.453 -4.957 -3.827 1.00 0.00 C -ATOM 104 C TYR A 7 -2.343 -6.474 -3.653 1.00 0.00 C -ATOM 105 O TYR A 7 -2.611 -7.233 -4.566 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.305 -4.236 -3.121 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.286 -2.806 -3.581 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.273 -1.924 -3.141 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.286 -2.368 -4.447 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.263 -0.595 -3.569 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.269 -1.041 -4.880 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.258 -0.150 -4.442 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.245 1.162 -4.868 1.00 0.00 O -ATOM 114 H TYR A 7 -3.841 -4.648 -2.208 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.459 -4.690 -4.872 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.455 -4.268 -2.051 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.366 -4.707 -3.372 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -3.042 -2.271 -2.468 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.473 -3.057 -4.784 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -3.026 0.091 -3.219 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.515 -0.704 -5.542 1.00 0.00 H -ATOM 122 HH TYR A 7 -2.102 1.357 -5.256 1.00 0.00 H -ATOM 123 N LYS A 8 -1.962 -6.918 -2.483 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.844 -8.385 -2.229 1.00 0.00 C -ATOM 125 C LYS A 8 -2.811 -8.788 -1.114 1.00 0.00 C -ATOM 126 O LYS A 8 -2.415 -9.343 -0.106 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.393 -8.599 -1.795 1.00 0.00 C -ATOM 128 CG LYS A 8 -0.011 -10.067 -1.996 1.00 0.00 C -ATOM 129 CD LYS A 8 0.074 -10.373 -3.494 1.00 0.00 C -ATOM 130 CE LYS A 8 1.192 -11.390 -3.752 1.00 0.00 C -ATOM 131 NZ LYS A 8 2.020 -10.791 -4.838 1.00 0.00 N -ATOM 132 H LYS A 8 -1.760 -6.284 -1.763 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.049 -8.942 -3.130 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.258 -7.972 -2.387 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.289 -8.343 -0.751 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.948 -10.255 -1.534 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -0.759 -10.700 -1.544 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.868 -10.781 -3.830 1.00 0.00 H -ATOM 139 HD3 LYS A 8 0.284 -9.462 -4.035 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.787 -11.534 -2.861 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.776 -12.329 -4.083 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 1.413 -10.556 -5.648 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 2.748 -11.473 -5.134 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 2.478 -9.926 -4.488 1.00 0.00 H -ATOM 145 N GLY A 9 -4.074 -8.495 -1.287 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.079 -8.839 -0.240 1.00 0.00 C -ATOM 147 C GLY A 9 -4.995 -7.809 0.887 1.00 0.00 C -ATOM 148 O GLY A 9 -5.253 -8.113 2.037 1.00 0.00 O -ATOM 149 H GLY A 9 -4.361 -8.037 -2.106 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.070 -8.827 -0.672 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.867 -9.821 0.156 1.00 0.00 H -ATOM 152 N ARG A 10 -4.627 -6.593 0.564 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.513 -5.533 1.611 1.00 0.00 C -ATOM 154 C ARG A 10 -4.944 -4.181 1.047 1.00 0.00 C -ATOM 155 O ARG A 10 -4.168 -3.507 0.393 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.026 -5.486 1.975 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.564 -6.863 2.458 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.179 -6.742 3.095 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.060 -7.926 3.993 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.732 -7.969 5.110 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -1.522 -7.070 6.033 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -2.614 -8.910 5.305 1.00 0.00 N -ATOM 163 H ARG A 10 -4.419 -6.378 -0.369 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.099 -5.790 2.479 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.452 -5.192 1.104 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.874 -4.762 2.762 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.265 -7.243 3.188 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.514 -7.542 1.620 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.413 -6.766 2.332 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.107 -5.833 3.672 1.00 0.00 H -ATOM 171 HE ARG A 10 -0.477 -8.673 3.742 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -0.846 -6.348 5.883 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -2.036 -7.103 6.890 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -2.776 -9.598 4.597 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -3.131 -8.942 6.160 1.00 0.00 H -ATOM 176 N THR A 11 -6.162 -3.767 1.301 1.00 0.00 N -ATOM 177 CA THR A 11 -6.609 -2.444 0.779 1.00 0.00 C -ATOM 178 C THR A 11 -5.792 -1.337 1.459 1.00 0.00 C -ATOM 179 O THR A 11 -5.269 -1.530 2.542 1.00 0.00 O -ATOM 180 CB THR A 11 -8.088 -2.313 1.147 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.815 -3.390 0.570 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.626 -0.979 0.610 1.00 0.00 C -ATOM 183 H THR A 11 -6.770 -4.317 1.838 1.00 0.00 H -ATOM 184 HA THR A 11 -6.492 -2.412 -0.294 1.00 0.00 H -ATOM 185 HB THR A 11 -8.198 -2.336 2.220 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.744 -3.318 -0.385 1.00 0.00 H -ATOM 187 HG21 THR A 11 -8.646 -0.251 1.407 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.625 -1.121 0.226 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.983 -0.621 -0.185 1.00 0.00 H -ATOM 190 N PHE A 12 -5.678 -0.188 0.843 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.894 0.919 1.467 1.00 0.00 C -ATOM 192 C PHE A 12 -5.766 2.164 1.634 1.00 0.00 C -ATOM 193 O PHE A 12 -6.313 2.684 0.682 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.736 1.185 0.502 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.699 0.111 0.685 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.793 -1.061 -0.068 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.648 0.284 1.597 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.840 -2.073 0.088 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.689 -0.729 1.750 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.789 -1.908 0.995 1.00 0.00 C -ATOM 201 H PHE A 12 -6.105 -0.054 -0.028 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.507 0.606 2.423 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.094 1.164 -0.524 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.298 2.148 0.715 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.604 -1.180 -0.772 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.579 1.194 2.187 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.917 -2.987 -0.486 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.128 -0.601 2.445 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.052 -2.687 1.109 1.00 0.00 H -ATOM 210 N ARG A 13 -5.893 2.642 2.846 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.722 3.858 3.098 1.00 0.00 C -ATOM 212 C ARG A 13 -5.826 4.997 3.593 1.00 0.00 C -ATOM 213 O ARG A 13 -6.246 5.843 4.359 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.731 3.449 4.177 1.00 0.00 C -ATOM 215 CG ARG A 13 -6.996 2.964 5.433 1.00 0.00 C -ATOM 216 CD ARG A 13 -7.986 2.849 6.596 1.00 0.00 C -ATOM 217 NE ARG A 13 -7.260 3.397 7.776 1.00 0.00 N -ATOM 218 CZ ARG A 13 -7.074 2.653 8.832 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -8.087 2.048 9.390 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -5.876 2.516 9.330 1.00 0.00 N -ATOM 221 H ARG A 13 -5.439 2.199 3.593 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.241 4.151 2.199 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.348 4.300 4.430 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.356 2.653 3.801 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -6.553 1.997 5.238 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -6.220 3.670 5.691 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -8.873 3.432 6.394 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -8.244 1.816 6.770 1.00 0.00 H -ATOM 229 HE ARG A 13 -6.922 4.317 7.758 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -9.005 2.153 9.007 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -7.945 1.477 10.199 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -5.101 2.980 8.902 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -5.734 1.947 10.141 1.00 0.00 H -ATOM 234 N ASN A 14 -4.593 5.014 3.157 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.651 6.087 3.589 1.00 0.00 C -ATOM 236 C ASN A 14 -2.439 6.123 2.656 1.00 0.00 C -ATOM 237 O ASN A 14 -2.042 5.117 2.099 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.239 5.704 5.015 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.218 6.708 5.552 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -1.066 6.379 5.753 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.601 7.928 5.789 1.00 0.00 N -ATOM 242 H ASN A 14 -4.286 4.317 2.538 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.150 7.044 3.596 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -4.111 5.715 5.651 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.804 4.716 5.013 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -3.532 8.183 5.624 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.962 8.586 6.132 1.00 0.00 H -ATOM 248 N GLU A 15 -1.856 7.280 2.482 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.670 7.399 1.582 1.00 0.00 C -ATOM 250 C GLU A 15 0.587 6.880 2.286 1.00 0.00 C -ATOM 251 O GLU A 15 1.426 6.240 1.680 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.551 8.896 1.289 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.032 9.100 -0.135 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.142 10.578 -0.513 1.00 0.00 C -ATOM 255 OE1 GLU A 15 0.164 11.409 0.329 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -0.531 10.856 -1.635 1.00 0.00 O -ATOM 257 H GLU A 15 -2.203 8.073 2.943 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.839 6.858 0.665 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.524 9.359 1.389 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.136 9.347 1.990 1.00 0.00 H -ATOM 261 HG2 GLU A 15 1.002 8.789 -0.190 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.623 8.511 -0.821 1.00 0.00 H -ATOM 263 N LYS A 16 0.723 7.153 3.559 1.00 0.00 N -ATOM 264 CA LYS A 16 1.924 6.683 4.311 1.00 0.00 C -ATOM 265 C LYS A 16 2.023 5.160 4.270 1.00 0.00 C -ATOM 266 O LYS A 16 3.085 4.596 4.084 1.00 0.00 O -ATOM 267 CB LYS A 16 1.717 7.165 5.750 1.00 0.00 C -ATOM 268 CG LYS A 16 3.076 7.444 6.396 1.00 0.00 C -ATOM 269 CD LYS A 16 3.644 6.147 6.982 1.00 0.00 C -ATOM 270 CE LYS A 16 3.328 6.078 8.478 1.00 0.00 C -ATOM 271 NZ LYS A 16 4.418 5.247 9.061 1.00 0.00 N -ATOM 272 H LYS A 16 0.036 7.673 4.018 1.00 0.00 H -ATOM 273 HA LYS A 16 2.802 7.122 3.902 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.127 8.070 5.744 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.201 6.401 6.312 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.756 7.830 5.650 1.00 0.00 H -ATOM 277 HG3 LYS A 16 2.957 8.172 7.185 1.00 0.00 H -ATOM 278 HD2 LYS A 16 3.200 5.300 6.480 1.00 0.00 H -ATOM 279 HD3 LYS A 16 4.714 6.128 6.841 1.00 0.00 H -ATOM 280 HE2 LYS A 16 3.336 7.070 8.910 1.00 0.00 H -ATOM 281 HE3 LYS A 16 2.374 5.602 8.641 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 5.333 5.713 8.902 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 4.423 4.312 8.607 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 4.259 5.135 10.084 1.00 0.00 H -ATOM 285 N GLU A 17 0.918 4.503 4.447 1.00 0.00 N -ATOM 286 CA GLU A 17 0.907 3.006 4.431 1.00 0.00 C -ATOM 287 C GLU A 17 1.341 2.477 3.067 1.00 0.00 C -ATOM 288 O GLU A 17 2.351 1.812 2.934 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.549 2.603 4.681 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.985 3.026 6.078 1.00 0.00 C -ATOM 291 CD GLU A 17 -0.158 2.280 7.128 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.117 1.109 6.915 1.00 0.00 O -ATOM 293 OE2 GLU A 17 0.188 2.891 8.126 1.00 0.00 O -ATOM 294 H GLU A 17 0.092 5.000 4.596 1.00 0.00 H -ATOM 295 HA GLU A 17 1.540 2.611 5.211 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.183 3.084 3.951 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.644 1.532 4.585 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.843 4.090 6.192 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -2.028 2.784 6.206 1.00 0.00 H -ATOM 300 N LEU A 18 0.555 2.743 2.060 1.00 0.00 N -ATOM 301 CA LEU A 18 0.868 2.237 0.693 1.00 0.00 C -ATOM 302 C LEU A 18 2.262 2.668 0.236 1.00 0.00 C -ATOM 303 O LEU A 18 3.046 1.848 -0.193 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.212 2.831 -0.212 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.166 2.150 -1.579 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.633 0.697 -1.452 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.086 2.896 -2.551 1.00 0.00 C -ATOM 308 H LEU A 18 -0.263 3.259 2.211 1.00 0.00 H -ATOM 309 HA LEU A 18 0.801 1.166 0.683 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.183 2.675 0.235 1.00 0.00 H -ATOM 311 HB3 LEU A 18 -0.038 3.889 -0.335 1.00 0.00 H -ATOM 312 HG LEU A 18 0.843 2.172 -1.953 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.333 0.296 -0.502 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.194 0.106 -2.239 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.708 0.661 -1.531 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.054 2.418 -2.568 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -0.656 2.874 -3.541 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.197 3.921 -2.229 1.00 0.00 H -ATOM 319 N ARG A 19 2.589 3.936 0.316 1.00 0.00 N -ATOM 320 CA ARG A 19 3.953 4.380 -0.129 1.00 0.00 C -ATOM 321 C ARG A 19 5.032 3.545 0.575 1.00 0.00 C -ATOM 322 O ARG A 19 6.065 3.243 0.009 1.00 0.00 O -ATOM 323 CB ARG A 19 4.057 5.851 0.268 1.00 0.00 C -ATOM 324 CG ARG A 19 3.301 6.710 -0.748 1.00 0.00 C -ATOM 325 CD ARG A 19 4.257 7.137 -1.864 1.00 0.00 C -ATOM 326 NE ARG A 19 3.375 7.594 -2.975 1.00 0.00 N -ATOM 327 CZ ARG A 19 2.897 6.728 -3.825 1.00 0.00 C -ATOM 328 NH1 ARG A 19 1.764 6.129 -3.579 1.00 0.00 N -ATOM 329 NH2 ARG A 19 3.550 6.462 -4.923 1.00 0.00 N -ATOM 330 H ARG A 19 1.946 4.589 0.664 1.00 0.00 H -ATOM 331 HA ARG A 19 4.042 4.275 -1.203 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.629 5.990 1.249 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.095 6.144 0.280 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.487 6.138 -1.168 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.910 7.588 -0.257 1.00 0.00 H -ATOM 336 HD2 ARG A 19 4.889 7.947 -1.526 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.856 6.300 -2.188 1.00 0.00 H -ATOM 338 HE ARG A 19 3.156 8.545 -3.065 1.00 0.00 H -ATOM 339 HH11 ARG A 19 1.262 6.333 -2.738 1.00 0.00 H -ATOM 340 HH12 ARG A 19 1.396 5.466 -4.232 1.00 0.00 H -ATOM 341 HH21 ARG A 19 4.419 6.920 -5.111 1.00 0.00 H -ATOM 342 HH22 ARG A 19 3.183 5.799 -5.575 1.00 0.00 H -ATOM 343 N ASP A 20 4.767 3.135 1.791 1.00 0.00 N -ATOM 344 CA ASP A 20 5.744 2.275 2.524 1.00 0.00 C -ATOM 345 C ASP A 20 5.644 0.862 1.950 1.00 0.00 C -ATOM 346 O ASP A 20 6.631 0.194 1.716 1.00 0.00 O -ATOM 347 CB ASP A 20 5.295 2.307 3.987 1.00 0.00 C -ATOM 348 CG ASP A 20 6.239 1.447 4.830 1.00 0.00 C -ATOM 349 OD1 ASP A 20 6.231 0.241 4.650 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.954 2.011 5.643 1.00 0.00 O -ATOM 351 H ASP A 20 3.911 3.366 2.208 1.00 0.00 H -ATOM 352 HA ASP A 20 6.747 2.661 2.423 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.317 3.325 4.347 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.290 1.918 4.065 1.00 0.00 H -ATOM 355 N PHE A 21 4.437 0.432 1.688 1.00 0.00 N -ATOM 356 CA PHE A 21 4.214 -0.918 1.083 1.00 0.00 C -ATOM 357 C PHE A 21 4.873 -0.963 -0.298 1.00 0.00 C -ATOM 358 O PHE A 21 5.759 -1.748 -0.572 1.00 0.00 O -ATOM 359 CB PHE A 21 2.693 -1.022 0.916 1.00 0.00 C -ATOM 360 CG PHE A 21 2.375 -2.243 0.099 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.404 -3.485 0.715 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.081 -2.128 -1.267 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.128 -4.641 -0.024 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.805 -3.282 -2.011 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.825 -4.539 -1.389 1.00 0.00 C -ATOM 366 H PHE A 21 3.670 1.017 1.867 1.00 0.00 H -ATOM 367 HA PHE A 21 4.570 -1.717 1.722 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.233 -1.102 1.880 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.316 -0.147 0.415 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.654 -3.547 1.764 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.070 -1.148 -1.749 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.145 -5.607 0.457 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.580 -3.206 -3.063 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.613 -5.430 -1.961 1.00 0.00 H -ATOM 375 N ILE A 22 4.395 -0.108 -1.163 1.00 0.00 N -ATOM 376 CA ILE A 22 4.903 -0.021 -2.572 1.00 0.00 C -ATOM 377 C ILE A 22 6.438 -0.037 -2.581 1.00 0.00 C -ATOM 378 O ILE A 22 7.063 -0.528 -3.500 1.00 0.00 O -ATOM 379 CB ILE A 22 4.369 1.322 -3.087 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.827 1.287 -3.120 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.908 1.593 -4.495 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.329 0.259 -4.134 1.00 0.00 C -ATOM 383 H ILE A 22 3.679 0.487 -0.872 1.00 0.00 H -ATOM 384 HA ILE A 22 4.500 -0.827 -3.172 1.00 0.00 H -ATOM 385 HB ILE A 22 4.695 2.111 -2.423 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.447 1.018 -2.149 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.455 2.262 -3.392 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.586 2.570 -4.822 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.524 0.841 -5.168 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.985 1.550 -4.483 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.803 -0.526 -3.616 1.00 0.00 H -ATOM 392 HD12 ILE A 22 3.167 -0.160 -4.668 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.662 0.743 -4.828 1.00 0.00 H -ATOM 394 N GLU A 23 7.030 0.492 -1.545 1.00 0.00 N -ATOM 395 CA GLU A 23 8.519 0.509 -1.454 1.00 0.00 C -ATOM 396 C GLU A 23 9.018 -0.865 -1.006 1.00 0.00 C -ATOM 397 O GLU A 23 9.929 -1.424 -1.587 1.00 0.00 O -ATOM 398 CB GLU A 23 8.844 1.572 -0.403 1.00 0.00 C -ATOM 399 CG GLU A 23 10.194 2.214 -0.728 1.00 0.00 C -ATOM 400 CD GLU A 23 10.030 3.180 -1.904 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.050 3.906 -1.917 1.00 0.00 O -ATOM 402 OE2 GLU A 23 10.889 3.178 -2.770 1.00 0.00 O -ATOM 403 H GLU A 23 6.487 0.869 -0.817 1.00 0.00 H -ATOM 404 HA GLU A 23 8.952 0.779 -2.404 1.00 0.00 H -ATOM 405 HB2 GLU A 23 8.073 2.329 -0.407 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.893 1.111 0.572 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.552 2.755 0.137 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.904 1.446 -0.993 1.00 0.00 H -ATOM 409 N LYS A 24 8.413 -1.416 0.016 1.00 0.00 N -ATOM 410 CA LYS A 24 8.833 -2.765 0.501 1.00 0.00 C -ATOM 411 C LYS A 24 8.526 -3.809 -0.573 1.00 0.00 C -ATOM 412 O LYS A 24 9.314 -4.699 -0.833 1.00 0.00 O -ATOM 413 CB LYS A 24 7.995 -3.024 1.757 1.00 0.00 C -ATOM 414 CG LYS A 24 8.405 -4.361 2.389 1.00 0.00 C -ATOM 415 CD LYS A 24 7.155 -5.153 2.783 1.00 0.00 C -ATOM 416 CE LYS A 24 6.750 -4.793 4.214 1.00 0.00 C -ATOM 417 NZ LYS A 24 5.501 -5.564 4.466 1.00 0.00 N -ATOM 418 H LYS A 24 7.675 -0.944 0.456 1.00 0.00 H -ATOM 419 HA LYS A 24 9.884 -2.770 0.747 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.157 -2.225 2.467 1.00 0.00 H -ATOM 421 HB3 LYS A 24 6.950 -3.057 1.488 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.984 -4.935 1.680 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.000 -4.173 3.270 1.00 0.00 H -ATOM 424 HD2 LYS A 24 6.347 -4.909 2.108 1.00 0.00 H -ATOM 425 HD3 LYS A 24 7.365 -6.210 2.726 1.00 0.00 H -ATOM 426 HE2 LYS A 24 7.525 -5.089 4.908 1.00 0.00 H -ATOM 427 HE3 LYS A 24 6.554 -3.736 4.297 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 4.754 -5.233 3.821 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 5.199 -5.423 5.451 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 5.678 -6.575 4.302 1.00 0.00 H -ATOM 431 N PHE A 25 7.382 -3.698 -1.202 1.00 0.00 N -ATOM 432 CA PHE A 25 6.999 -4.671 -2.270 1.00 0.00 C -ATOM 433 C PHE A 25 8.093 -4.729 -3.359 1.00 0.00 C -ATOM 434 O PHE A 25 9.056 -5.464 -3.234 1.00 0.00 O -ATOM 435 CB PHE A 25 5.641 -4.154 -2.800 1.00 0.00 C -ATOM 436 CG PHE A 25 5.237 -4.881 -4.067 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.153 -6.277 -4.088 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.951 -4.144 -5.223 1.00 0.00 C -ATOM 439 CE1 PHE A 25 4.782 -6.936 -5.268 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.582 -4.798 -6.400 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.498 -6.196 -6.424 1.00 0.00 C -ATOM 442 H PHE A 25 6.770 -2.972 -0.967 1.00 0.00 H -ATOM 443 HA PHE A 25 6.867 -5.641 -1.842 1.00 0.00 H -ATOM 444 HB2 PHE A 25 4.883 -4.310 -2.048 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.721 -3.097 -3.008 1.00 0.00 H -ATOM 446 HD1 PHE A 25 5.373 -6.846 -3.197 1.00 0.00 H -ATOM 447 HD2 PHE A 25 5.017 -3.066 -5.202 1.00 0.00 H -ATOM 448 HE1 PHE A 25 4.716 -8.013 -5.287 1.00 0.00 H -ATOM 449 HE2 PHE A 25 4.368 -4.224 -7.291 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.212 -6.704 -7.334 1.00 0.00 H -ATOM 451 N LYS A 26 7.948 -3.981 -4.421 1.00 0.00 N -ATOM 452 CA LYS A 26 8.953 -4.000 -5.516 1.00 0.00 C -ATOM 453 C LYS A 26 8.974 -2.651 -6.226 1.00 0.00 C -ATOM 454 O LYS A 26 9.965 -1.948 -6.240 1.00 0.00 O -ATOM 455 CB LYS A 26 8.430 -5.073 -6.457 1.00 0.00 C -ATOM 456 CG LYS A 26 8.507 -6.434 -5.772 1.00 0.00 C -ATOM 457 CD LYS A 26 8.363 -7.542 -6.817 1.00 0.00 C -ATOM 458 CE LYS A 26 7.870 -8.824 -6.141 1.00 0.00 C -ATOM 459 NZ LYS A 26 8.144 -9.906 -7.126 1.00 0.00 N -ATOM 460 H LYS A 26 7.173 -3.419 -4.509 1.00 0.00 H -ATOM 461 HA LYS A 26 9.921 -4.260 -5.152 1.00 0.00 H -ATOM 462 HB2 LYS A 26 7.399 -4.850 -6.694 1.00 0.00 H -ATOM 463 HB3 LYS A 26 9.019 -5.086 -7.360 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.457 -6.529 -5.268 1.00 0.00 H -ATOM 465 HG3 LYS A 26 7.706 -6.511 -5.051 1.00 0.00 H -ATOM 466 HD2 LYS A 26 7.652 -7.236 -7.571 1.00 0.00 H -ATOM 467 HD3 LYS A 26 9.321 -7.728 -7.279 1.00 0.00 H -ATOM 468 HE2 LYS A 26 8.417 -8.997 -5.224 1.00 0.00 H -ATOM 469 HE3 LYS A 26 6.811 -8.762 -5.944 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 7.733 -10.798 -6.785 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 9.172 -10.019 -7.239 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 7.719 -9.659 -8.041 1.00 0.00 H -ATOM 473 N GLY A 27 7.870 -2.302 -6.814 1.00 0.00 N -ATOM 474 CA GLY A 27 7.764 -1.010 -7.545 1.00 0.00 C -ATOM 475 C GLY A 27 8.644 -1.059 -8.796 1.00 0.00 C -ATOM 476 O GLY A 27 9.594 -0.310 -8.927 1.00 0.00 O -ATOM 477 H GLY A 27 7.103 -2.904 -6.775 1.00 0.00 H -ATOM 478 HA2 GLY A 27 6.733 -0.848 -7.832 1.00 0.00 H -ATOM 479 HA3 GLY A 27 8.093 -0.205 -6.907 1.00 0.00 H -ATOM 480 N ARG A 28 8.332 -1.938 -9.714 1.00 0.00 N -ATOM 481 CA ARG A 28 9.143 -2.048 -10.964 1.00 0.00 C -ATOM 482 C ARG A 28 8.293 -1.674 -12.181 1.00 0.00 C -ATOM 483 O ARG A 28 8.818 -1.021 -13.068 1.00 0.00 O -ATOM 484 CB ARG A 28 9.563 -3.519 -11.033 1.00 0.00 C -ATOM 485 CG ARG A 28 10.513 -3.737 -12.221 1.00 0.00 C -ATOM 486 CD ARG A 28 9.836 -4.619 -13.276 1.00 0.00 C -ATOM 487 NE ARG A 28 10.162 -6.016 -12.875 1.00 0.00 N -ATOM 488 CZ ARG A 28 9.232 -6.931 -12.886 1.00 0.00 C -ATOM 489 NH1 ARG A 28 8.721 -7.327 -14.020 1.00 0.00 N -ATOM 490 NH2 ARG A 28 8.816 -7.452 -11.765 1.00 0.00 N -ATOM 491 OXT ARG A 28 7.131 -2.047 -12.204 1.00 0.00 O -ATOM 492 H ARG A 28 7.562 -2.529 -9.580 1.00 0.00 H -ATOM 493 HA ARG A 28 10.016 -1.417 -10.903 1.00 0.00 H -ATOM 494 HB2 ARG A 28 10.068 -3.790 -10.117 1.00 0.00 H -ATOM 495 HB3 ARG A 28 8.686 -4.136 -11.154 1.00 0.00 H -ATOM 496 HG2 ARG A 28 10.771 -2.784 -12.662 1.00 0.00 H -ATOM 497 HG3 ARG A 28 11.412 -4.224 -11.874 1.00 0.00 H -ATOM 498 HD2 ARG A 28 8.767 -4.460 -13.265 1.00 0.00 H -ATOM 499 HD3 ARG A 28 10.240 -4.412 -14.256 1.00 0.00 H -ATOM 500 HE ARG A 28 11.074 -6.246 -12.603 1.00 0.00 H -ATOM 501 HH11 ARG A 28 9.040 -6.928 -14.879 1.00 0.00 H -ATOM 502 HH12 ARG A 28 8.009 -8.029 -14.028 1.00 0.00 H -ATOM 503 HH21 ARG A 28 9.208 -7.149 -10.896 1.00 0.00 H -ATOM 504 HH22 ARG A 28 8.105 -8.155 -11.774 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 16 -ATOM 1 N GLU A 1 -14.907 8.809 1.273 1.00 0.00 N -ATOM 2 CA GLU A 1 -13.854 8.259 2.175 1.00 0.00 C -ATOM 3 C GLU A 1 -12.511 8.189 1.442 1.00 0.00 C -ATOM 4 O GLU A 1 -12.340 8.770 0.387 1.00 0.00 O -ATOM 5 CB GLU A 1 -14.337 6.853 2.556 1.00 0.00 C -ATOM 6 CG GLU A 1 -14.555 6.008 1.295 1.00 0.00 C -ATOM 7 CD GLU A 1 -14.324 4.532 1.623 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -15.035 4.015 2.468 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -13.439 3.943 1.023 1.00 0.00 O -ATOM 10 H1 GLU A 1 -15.844 8.649 1.695 1.00 0.00 H -ATOM 11 H2 GLU A 1 -14.856 8.332 0.349 1.00 0.00 H -ATOM 12 H3 GLU A 1 -14.757 9.830 1.146 1.00 0.00 H -ATOM 13 HA GLU A 1 -13.765 8.867 3.061 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -13.597 6.378 3.183 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -15.268 6.931 3.098 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -15.566 6.145 0.941 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -13.860 6.317 0.527 1.00 0.00 H -ATOM 18 N GLN A 2 -11.560 7.481 1.997 1.00 0.00 N -ATOM 19 CA GLN A 2 -10.224 7.366 1.340 1.00 0.00 C -ATOM 20 C GLN A 2 -10.230 6.218 0.327 1.00 0.00 C -ATOM 21 O GLN A 2 -10.991 5.278 0.450 1.00 0.00 O -ATOM 22 CB GLN A 2 -9.244 7.071 2.478 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.799 7.216 1.975 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.078 8.309 2.769 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -6.922 8.202 3.970 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -6.631 9.364 2.146 1.00 0.00 N -ATOM 27 H GLN A 2 -11.726 7.023 2.847 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.959 8.293 0.858 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -9.421 7.762 3.290 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -9.399 6.061 2.829 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -7.280 6.278 2.105 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.801 7.481 0.928 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -6.757 9.451 1.178 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -6.169 10.070 2.645 1.00 0.00 H -ATOM 35 N TYR A 3 -9.389 6.293 -0.672 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.335 5.211 -1.708 1.00 0.00 C -ATOM 37 C TYR A 3 -9.147 3.831 -1.071 1.00 0.00 C -ATOM 38 O TYR A 3 -8.588 3.700 0.002 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.148 5.555 -2.613 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.910 5.796 -1.785 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.288 4.740 -1.114 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.396 7.090 -1.687 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.149 4.980 -0.347 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.256 7.330 -0.920 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.631 6.275 -0.248 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.504 6.512 0.511 1.00 0.00 O -ATOM 47 H TYR A 3 -8.790 7.064 -0.749 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.232 5.223 -2.287 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -7.968 4.739 -3.298 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.380 6.448 -3.171 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.683 3.739 -1.187 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.878 7.905 -2.205 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.675 4.166 0.170 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.863 8.328 -0.844 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.816 6.835 -0.075 1.00 0.00 H -ATOM 56 N THR A 4 -9.614 2.807 -1.735 1.00 0.00 N -ATOM 57 CA THR A 4 -9.477 1.423 -1.195 1.00 0.00 C -ATOM 58 C THR A 4 -8.490 0.624 -2.053 1.00 0.00 C -ATOM 59 O THR A 4 -8.709 -0.532 -2.358 1.00 0.00 O -ATOM 60 CB THR A 4 -10.883 0.827 -1.288 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.451 1.157 -2.548 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.754 1.399 -0.169 1.00 0.00 C -ATOM 63 H THR A 4 -10.058 2.948 -2.597 1.00 0.00 H -ATOM 64 HA THR A 4 -9.152 1.447 -0.167 1.00 0.00 H -ATOM 65 HB THR A 4 -10.829 -0.245 -1.185 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.330 0.406 -3.134 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.237 1.305 0.775 1.00 0.00 H -ATOM 68 HG22 THR A 4 -12.686 0.855 -0.124 1.00 0.00 H -ATOM 69 HG23 THR A 4 -11.955 2.442 -0.367 1.00 0.00 H -ATOM 70 N ALA A 5 -7.404 1.244 -2.447 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.380 0.552 -3.294 1.00 0.00 C -ATOM 72 C ALA A 5 -6.005 -0.810 -2.717 1.00 0.00 C -ATOM 73 O ALA A 5 -5.619 -0.911 -1.577 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.151 1.454 -3.257 1.00 0.00 C -ATOM 75 H ALA A 5 -7.265 2.174 -2.191 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.733 0.455 -4.306 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.459 2.483 -3.155 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.591 1.330 -4.172 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.531 1.173 -2.412 1.00 0.00 H -ATOM 80 N LYS A 6 -6.085 -1.840 -3.507 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.704 -3.199 -3.013 1.00 0.00 C -ATOM 82 C LYS A 6 -4.493 -3.705 -3.794 1.00 0.00 C -ATOM 83 O LYS A 6 -4.361 -3.463 -4.979 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.918 -4.103 -3.248 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.382 -3.993 -4.703 1.00 0.00 C -ATOM 86 CD LYS A 6 -8.327 -5.155 -5.043 1.00 0.00 C -ATOM 87 CE LYS A 6 -9.756 -4.630 -5.232 1.00 0.00 C -ATOM 88 NZ LYS A 6 -10.467 -4.985 -3.973 1.00 0.00 N -ATOM 89 H LYS A 6 -6.376 -1.720 -4.434 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.476 -3.160 -1.959 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.644 -5.126 -3.035 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.721 -3.802 -2.592 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.895 -3.052 -4.837 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.522 -4.029 -5.354 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.997 -5.628 -5.957 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.316 -5.881 -4.243 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -9.746 -3.557 -5.372 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -10.227 -5.115 -6.072 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -10.077 -4.428 -3.185 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -10.342 -5.999 -3.778 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -11.480 -4.778 -4.077 1.00 0.00 H -ATOM 102 N TYR A 7 -3.603 -4.390 -3.129 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.379 -4.903 -3.813 1.00 0.00 C -ATOM 104 C TYR A 7 -2.263 -6.417 -3.629 1.00 0.00 C -ATOM 105 O TYR A 7 -2.160 -7.164 -4.583 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.227 -4.176 -3.125 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.238 -2.739 -3.570 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.236 -1.877 -3.110 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.259 -2.276 -4.446 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.259 -0.544 -3.532 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.269 -0.945 -4.867 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.271 -0.073 -4.410 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.288 1.242 -4.830 1.00 0.00 O -ATOM 114 H TYR A 7 -3.735 -4.558 -2.174 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.397 -4.642 -4.859 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.354 -4.224 -2.053 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.291 -4.632 -3.402 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.991 -2.242 -2.430 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.509 -2.948 -4.798 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -3.029 0.125 -3.165 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.501 -0.587 -5.534 1.00 0.00 H -ATOM 122 HH TYR A 7 -2.184 1.454 -5.103 1.00 0.00 H -ATOM 123 N LYS A 8 -2.290 -6.869 -2.403 1.00 0.00 N -ATOM 124 CA LYS A 8 -2.192 -8.332 -2.129 1.00 0.00 C -ATOM 125 C LYS A 8 -3.085 -8.682 -0.937 1.00 0.00 C -ATOM 126 O LYS A 8 -2.614 -9.103 0.104 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.719 -8.578 -1.797 1.00 0.00 C -ATOM 128 CG LYS A 8 -0.294 -9.943 -2.341 1.00 0.00 C -ATOM 129 CD LYS A 8 -0.024 -9.833 -3.844 1.00 0.00 C -ATOM 130 CE LYS A 8 1.399 -9.315 -4.072 1.00 0.00 C -ATOM 131 NZ LYS A 8 2.220 -10.535 -4.304 1.00 0.00 N -ATOM 132 H LYS A 8 -2.381 -6.240 -1.657 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.480 -8.901 -2.998 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.115 -7.805 -2.249 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.584 -8.562 -0.727 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.604 -10.268 -1.836 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -1.083 -10.661 -2.172 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.130 -10.806 -4.301 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -0.729 -9.147 -4.287 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.427 -8.668 -4.939 1.00 0.00 H -ATOM 141 HE3 LYS A 8 1.753 -8.791 -3.199 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 1.797 -11.097 -5.068 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 2.252 -11.102 -3.432 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 3.185 -10.258 -4.573 1.00 0.00 H -ATOM 145 N GLY A 9 -4.371 -8.491 -1.080 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.307 -8.788 0.043 1.00 0.00 C -ATOM 147 C GLY A 9 -5.120 -7.734 1.135 1.00 0.00 C -ATOM 148 O GLY A 9 -5.292 -8.005 2.308 1.00 0.00 O -ATOM 149 H GLY A 9 -4.721 -8.138 -1.925 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.326 -8.762 -0.319 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.089 -9.764 0.448 1.00 0.00 H -ATOM 152 N ARG A 10 -4.761 -6.533 0.752 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.551 -5.449 1.758 1.00 0.00 C -ATOM 154 C ARG A 10 -4.971 -4.099 1.179 1.00 0.00 C -ATOM 155 O ARG A 10 -4.177 -3.420 0.556 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.046 -5.438 2.036 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.598 -6.809 2.548 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.134 -6.737 2.985 1.00 0.00 C -ATOM 159 NE ARG A 10 -0.893 -7.999 3.738 1.00 0.00 N -ATOM 160 CZ ARG A 10 0.009 -8.845 3.322 1.00 0.00 C -ATOM 161 NH1 ARG A 10 1.164 -8.410 2.897 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -0.243 -10.125 3.330 1.00 0.00 N -ATOM 163 H ARG A 10 -4.626 -6.344 -0.200 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.094 -5.660 2.665 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.513 -5.197 1.124 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.826 -4.690 2.784 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.214 -7.097 3.389 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.702 -7.540 1.759 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.488 -6.683 2.119 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -0.975 -5.886 3.628 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.413 -8.194 4.545 1.00 0.00 H -ATOM 172 HH11 ARG A 10 1.358 -7.429 2.890 1.00 0.00 H -ATOM 173 HH12 ARG A 10 1.856 -9.058 2.578 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -1.128 -10.458 3.656 1.00 0.00 H -ATOM 175 HH22 ARG A 10 0.449 -10.773 3.011 1.00 0.00 H -ATOM 176 N THR A 11 -6.199 -3.696 1.384 1.00 0.00 N -ATOM 177 CA THR A 11 -6.637 -2.375 0.844 1.00 0.00 C -ATOM 178 C THR A 11 -5.855 -1.260 1.551 1.00 0.00 C -ATOM 179 O THR A 11 -5.475 -1.402 2.699 1.00 0.00 O -ATOM 180 CB THR A 11 -8.128 -2.257 1.161 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.820 -3.355 0.582 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.671 -0.943 0.581 1.00 0.00 C -ATOM 183 H THR A 11 -6.822 -4.253 1.896 1.00 0.00 H -ATOM 184 HA THR A 11 -6.483 -2.341 -0.222 1.00 0.00 H -ATOM 185 HB THR A 11 -8.273 -2.262 2.230 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.679 -3.421 1.005 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.209 -0.407 1.349 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.337 -1.161 -0.239 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.851 -0.331 0.224 1.00 0.00 H -ATOM 190 N PHE A 12 -5.607 -0.163 0.882 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.843 0.946 1.525 1.00 0.00 C -ATOM 192 C PHE A 12 -5.721 2.188 1.690 1.00 0.00 C -ATOM 193 O PHE A 12 -6.269 2.706 0.737 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.673 1.222 0.580 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.656 0.129 0.748 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.778 -1.035 -0.013 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.594 0.276 1.655 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.840 -2.066 0.129 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.653 -0.754 1.793 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.779 -1.925 1.032 1.00 0.00 C -ATOM 201 H PHE A 12 -5.916 -0.072 -0.044 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.466 0.629 2.485 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.021 1.230 -0.450 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.225 2.174 0.822 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.600 -1.134 -0.711 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.504 1.178 2.252 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.939 -2.974 -0.449 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.169 -0.646 2.484 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.055 -2.717 1.137 1.00 0.00 H -ATOM 210 N ARG A 13 -5.847 2.666 2.900 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.675 3.880 3.157 1.00 0.00 C -ATOM 212 C ARG A 13 -5.788 4.988 3.722 1.00 0.00 C -ATOM 213 O ARG A 13 -6.213 5.786 4.536 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.712 3.442 4.191 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.832 2.666 3.495 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.521 1.747 4.505 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.329 2.659 5.363 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.632 2.604 5.326 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.264 2.829 4.206 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -12.306 2.325 6.409 1.00 0.00 N -ATOM 221 H ARG A 13 -5.387 2.227 3.646 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.164 4.205 2.252 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.239 2.810 4.928 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.128 4.312 4.675 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.552 3.361 3.089 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.415 2.070 2.696 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -10.161 1.041 3.994 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -8.789 1.229 5.105 1.00 0.00 H -ATOM 229 HE ARG A 13 -9.882 3.298 5.955 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -11.748 3.043 3.376 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -13.262 2.787 4.177 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -11.822 2.154 7.268 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -13.304 2.284 6.380 1.00 0.00 H -ATOM 234 N ASN A 14 -4.553 5.032 3.294 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.612 6.076 3.799 1.00 0.00 C -ATOM 236 C ASN A 14 -2.339 6.091 2.950 1.00 0.00 C -ATOM 237 O ASN A 14 -1.724 5.065 2.722 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.296 5.660 5.236 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.949 6.898 6.063 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.814 7.509 6.658 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.707 7.296 6.126 1.00 0.00 N -ATOM 242 H ASN A 14 -4.243 4.372 2.639 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.085 7.046 3.791 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -4.157 5.169 5.666 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.456 4.981 5.237 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -1.010 6.804 5.646 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.473 8.086 6.656 1.00 0.00 H -ATOM 248 N GLU A 15 -1.948 7.245 2.476 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.718 7.339 1.628 1.00 0.00 C -ATOM 250 C GLU A 15 0.514 6.856 2.406 1.00 0.00 C -ATOM 251 O GLU A 15 1.385 6.209 1.858 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.586 8.824 1.278 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.139 8.970 -0.178 1.00 0.00 C -ATOM 254 CD GLU A 15 0.316 10.408 -0.432 1.00 0.00 C -ATOM 255 OE1 GLU A 15 1.226 10.850 0.250 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -0.253 11.043 -1.305 1.00 0.00 O -ATOM 257 H GLU A 15 -2.470 8.052 2.673 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.841 6.759 0.728 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.543 9.310 1.411 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.144 9.285 1.926 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.679 8.292 -0.372 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.964 8.734 -0.833 1.00 0.00 H -ATOM 263 N LYS A 16 0.595 7.172 3.675 1.00 0.00 N -ATOM 264 CA LYS A 16 1.773 6.743 4.492 1.00 0.00 C -ATOM 265 C LYS A 16 1.940 5.224 4.450 1.00 0.00 C -ATOM 266 O LYS A 16 3.036 4.706 4.350 1.00 0.00 O -ATOM 267 CB LYS A 16 1.466 7.200 5.921 1.00 0.00 C -ATOM 268 CG LYS A 16 2.768 7.300 6.728 1.00 0.00 C -ATOM 269 CD LYS A 16 3.144 8.773 6.928 1.00 0.00 C -ATOM 270 CE LYS A 16 4.158 9.193 5.862 1.00 0.00 C -ATOM 271 NZ LYS A 16 4.896 10.339 6.463 1.00 0.00 N -ATOM 272 H LYS A 16 -0.115 7.700 4.089 1.00 0.00 H -ATOM 273 HA LYS A 16 2.655 7.221 4.139 1.00 0.00 H -ATOM 274 HB2 LYS A 16 0.980 8.164 5.893 1.00 0.00 H -ATOM 275 HB3 LYS A 16 0.810 6.482 6.392 1.00 0.00 H -ATOM 276 HG2 LYS A 16 2.628 6.832 7.691 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.564 6.797 6.197 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.257 9.384 6.843 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.578 8.903 7.907 1.00 0.00 H -ATOM 280 HE2 LYS A 16 4.836 8.378 5.648 1.00 0.00 H -ATOM 281 HE3 LYS A 16 3.653 9.509 4.963 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 5.356 10.033 7.343 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 4.228 11.110 6.670 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 5.619 10.675 5.796 1.00 0.00 H -ATOM 285 N GLU A 17 0.854 4.522 4.534 1.00 0.00 N -ATOM 286 CA GLU A 17 0.905 3.027 4.511 1.00 0.00 C -ATOM 287 C GLU A 17 1.347 2.520 3.140 1.00 0.00 C -ATOM 288 O GLU A 17 2.392 1.918 2.992 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.532 2.567 4.770 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.824 2.541 6.268 1.00 0.00 C -ATOM 291 CD GLU A 17 0.098 1.535 6.963 1.00 0.00 C -ATOM 292 OE1 GLU A 17 -0.040 0.353 6.696 1.00 0.00 O -ATOM 293 OE2 GLU A 17 0.925 1.965 7.750 1.00 0.00 O -ATOM 294 H GLU A 17 -0.003 4.985 4.618 1.00 0.00 H -ATOM 295 HA GLU A 17 1.560 2.656 5.282 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.217 3.247 4.286 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.668 1.575 4.365 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.666 3.526 6.682 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.851 2.247 6.417 1.00 0.00 H -ATOM 300 N LEU A 18 0.527 2.734 2.147 1.00 0.00 N -ATOM 301 CA LEU A 18 0.846 2.244 0.774 1.00 0.00 C -ATOM 302 C LEU A 18 2.240 2.677 0.319 1.00 0.00 C -ATOM 303 O LEU A 18 3.014 1.867 -0.146 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.231 2.846 -0.128 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.167 2.191 -1.505 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.632 0.735 -1.407 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.078 2.950 -2.472 1.00 0.00 C -ATOM 308 H LEU A 18 -0.319 3.198 2.313 1.00 0.00 H -ATOM 309 HA LEU A 18 0.778 1.172 0.754 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.205 2.673 0.309 1.00 0.00 H -ATOM 311 HB3 LEU A 18 -0.065 3.908 -0.229 1.00 0.00 H -ATOM 312 HG LEU A 18 0.847 2.222 -1.867 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.323 0.311 -0.471 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.197 0.164 -2.212 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.707 0.699 -1.480 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.058 2.496 -2.473 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -0.661 2.909 -3.467 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.157 3.980 -2.157 1.00 0.00 H -ATOM 319 N ARG A 19 2.580 3.937 0.444 1.00 0.00 N -ATOM 320 CA ARG A 19 3.944 4.385 0.001 1.00 0.00 C -ATOM 321 C ARG A 19 5.021 3.524 0.678 1.00 0.00 C -ATOM 322 O ARG A 19 6.043 3.221 0.093 1.00 0.00 O -ATOM 323 CB ARG A 19 4.059 5.845 0.437 1.00 0.00 C -ATOM 324 CG ARG A 19 3.112 6.706 -0.400 1.00 0.00 C -ATOM 325 CD ARG A 19 3.120 8.140 0.134 1.00 0.00 C -ATOM 326 NE ARG A 19 2.959 8.999 -1.071 1.00 0.00 N -ATOM 327 CZ ARG A 19 3.806 9.963 -1.302 1.00 0.00 C -ATOM 328 NH1 ARG A 19 3.597 11.150 -0.798 1.00 0.00 N -ATOM 329 NH2 ARG A 19 4.862 9.744 -2.035 1.00 0.00 N -ATOM 330 H ARG A 19 1.948 4.584 0.822 1.00 0.00 H -ATOM 331 HA ARG A 19 4.024 4.305 -1.077 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.797 5.929 1.482 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.074 6.183 0.291 1.00 0.00 H -ATOM 334 HG2 ARG A 19 3.438 6.702 -1.430 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.111 6.307 -0.337 1.00 0.00 H -ATOM 336 HD2 ARG A 19 2.296 8.290 0.817 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.058 8.357 0.619 1.00 0.00 H -ATOM 338 HE ARG A 19 2.215 8.841 -1.688 1.00 0.00 H -ATOM 339 HH11 ARG A 19 2.788 11.318 -0.236 1.00 0.00 H -ATOM 340 HH12 ARG A 19 4.246 11.889 -0.975 1.00 0.00 H -ATOM 341 HH21 ARG A 19 5.023 8.834 -2.420 1.00 0.00 H -ATOM 342 HH22 ARG A 19 5.511 10.483 -2.213 1.00 0.00 H -ATOM 343 N ASP A 20 4.770 3.096 1.892 1.00 0.00 N -ATOM 344 CA ASP A 20 5.749 2.214 2.595 1.00 0.00 C -ATOM 345 C ASP A 20 5.643 0.817 1.982 1.00 0.00 C -ATOM 346 O ASP A 20 6.628 0.147 1.739 1.00 0.00 O -ATOM 347 CB ASP A 20 5.313 2.206 4.062 1.00 0.00 C -ATOM 348 CG ASP A 20 6.262 1.319 4.872 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.388 1.733 5.089 1.00 0.00 O -ATOM 350 OD2 ASP A 20 5.845 0.240 5.261 1.00 0.00 O -ATOM 351 H ASP A 20 3.924 3.330 2.327 1.00 0.00 H -ATOM 352 HA ASP A 20 6.752 2.601 2.497 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.343 3.214 4.451 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.307 1.821 4.140 1.00 0.00 H -ATOM 355 N PHE A 21 4.437 0.400 1.702 1.00 0.00 N -ATOM 356 CA PHE A 21 4.211 -0.932 1.063 1.00 0.00 C -ATOM 357 C PHE A 21 4.862 -0.943 -0.322 1.00 0.00 C -ATOM 358 O PHE A 21 5.729 -1.736 -0.626 1.00 0.00 O -ATOM 359 CB PHE A 21 2.693 -1.033 0.896 1.00 0.00 C -ATOM 360 CG PHE A 21 2.381 -2.245 0.062 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.401 -3.494 0.664 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.103 -2.112 -1.305 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.132 -4.639 -0.093 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.833 -3.255 -2.066 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.845 -4.520 -1.460 1.00 0.00 C -ATOM 366 H PHE A 21 3.671 0.985 1.891 1.00 0.00 H -ATOM 367 HA PHE A 21 4.569 -1.746 1.680 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.232 -1.128 1.860 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.313 -0.154 0.406 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.641 -3.570 1.714 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.103 -1.125 -1.774 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.141 -5.612 0.376 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.622 -3.165 -3.119 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.637 -5.403 -2.046 1.00 0.00 H -ATOM 375 N ILE A 22 4.393 -0.057 -1.157 1.00 0.00 N -ATOM 376 CA ILE A 22 4.896 0.057 -2.566 1.00 0.00 C -ATOM 377 C ILE A 22 6.431 0.035 -2.581 1.00 0.00 C -ATOM 378 O ILE A 22 7.051 -0.440 -3.513 1.00 0.00 O -ATOM 379 CB ILE A 22 4.361 1.411 -3.049 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.821 1.368 -3.084 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.900 1.719 -4.450 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.327 0.367 -4.127 1.00 0.00 C -ATOM 383 H ILE A 22 3.686 0.539 -0.846 1.00 0.00 H -ATOM 384 HA ILE A 22 4.489 -0.737 -3.181 1.00 0.00 H -ATOM 385 HB ILE A 22 4.683 2.183 -2.366 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.442 1.067 -2.120 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.442 2.349 -3.327 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.565 2.696 -4.757 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.528 0.975 -5.140 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.978 1.690 -4.436 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.819 -0.442 -3.628 1.00 0.00 H -ATOM 392 HD12 ILE A 22 3.164 -0.021 -4.684 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.645 0.865 -4.798 1.00 0.00 H -ATOM 394 N GLU A 23 7.029 0.534 -1.533 1.00 0.00 N -ATOM 395 CA GLU A 23 8.518 0.539 -1.446 1.00 0.00 C -ATOM 396 C GLU A 23 9.006 -0.853 -1.043 1.00 0.00 C -ATOM 397 O GLU A 23 10.030 -1.321 -1.504 1.00 0.00 O -ATOM 398 CB GLU A 23 8.855 1.564 -0.363 1.00 0.00 C -ATOM 399 CG GLU A 23 10.267 2.105 -0.593 1.00 0.00 C -ATOM 400 CD GLU A 23 10.231 3.188 -1.673 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.334 4.015 -1.625 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.100 3.173 -2.529 1.00 0.00 O -ATOM 403 H GLU A 23 6.491 0.897 -0.795 1.00 0.00 H -ATOM 404 HA GLU A 23 8.952 0.835 -2.389 1.00 0.00 H -ATOM 405 HB2 GLU A 23 8.145 2.378 -0.405 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.806 1.092 0.607 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.645 2.525 0.327 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.913 1.301 -0.914 1.00 0.00 H -ATOM 409 N LYS A 24 8.264 -1.520 -0.195 1.00 0.00 N -ATOM 410 CA LYS A 24 8.661 -2.893 0.238 1.00 0.00 C -ATOM 411 C LYS A 24 8.424 -3.878 -0.909 1.00 0.00 C -ATOM 412 O LYS A 24 9.205 -4.782 -1.133 1.00 0.00 O -ATOM 413 CB LYS A 24 7.753 -3.222 1.429 1.00 0.00 C -ATOM 414 CG LYS A 24 8.564 -3.945 2.517 1.00 0.00 C -ATOM 415 CD LYS A 24 8.599 -3.095 3.791 1.00 0.00 C -ATOM 416 CE LYS A 24 8.867 -3.995 4.999 1.00 0.00 C -ATOM 417 NZ LYS A 24 10.338 -3.911 5.222 1.00 0.00 N -ATOM 418 H LYS A 24 7.439 -1.119 0.149 1.00 0.00 H -ATOM 419 HA LYS A 24 9.695 -2.910 0.544 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.342 -2.306 1.827 1.00 0.00 H -ATOM 421 HB3 LYS A 24 6.948 -3.863 1.100 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.101 -4.896 2.735 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.574 -4.110 2.172 1.00 0.00 H -ATOM 424 HD2 LYS A 24 9.383 -2.357 3.709 1.00 0.00 H -ATOM 425 HD3 LYS A 24 7.648 -2.598 3.919 1.00 0.00 H -ATOM 426 HE2 LYS A 24 8.331 -3.630 5.865 1.00 0.00 H -ATOM 427 HE3 LYS A 24 8.584 -5.013 4.781 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 10.585 -2.953 5.546 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 10.835 -4.116 4.333 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 10.620 -4.605 5.943 1.00 0.00 H -ATOM 431 N PHE A 25 7.347 -3.701 -1.641 1.00 0.00 N -ATOM 432 CA PHE A 25 7.040 -4.616 -2.788 1.00 0.00 C -ATOM 433 C PHE A 25 8.276 -4.767 -3.709 1.00 0.00 C -ATOM 434 O PHE A 25 9.120 -5.613 -3.482 1.00 0.00 O -ATOM 435 CB PHE A 25 5.828 -3.956 -3.496 1.00 0.00 C -ATOM 436 CG PHE A 25 5.591 -4.559 -4.868 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.394 -5.936 -5.016 1.00 0.00 C -ATOM 438 CD2 PHE A 25 5.579 -3.724 -5.992 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.186 -6.477 -6.292 1.00 0.00 C -ATOM 440 CE2 PHE A 25 5.372 -4.261 -7.264 1.00 0.00 C -ATOM 441 CZ PHE A 25 5.176 -5.639 -7.417 1.00 0.00 C -ATOM 442 H PHE A 25 6.735 -2.963 -1.432 1.00 0.00 H -ATOM 443 HA PHE A 25 6.753 -5.575 -2.415 1.00 0.00 H -ATOM 444 HB2 PHE A 25 4.945 -4.100 -2.892 1.00 0.00 H -ATOM 445 HB3 PHE A 25 6.016 -2.898 -3.602 1.00 0.00 H -ATOM 446 HD1 PHE A 25 5.403 -6.579 -4.149 1.00 0.00 H -ATOM 447 HD2 PHE A 25 5.730 -2.661 -5.874 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.033 -7.539 -6.409 1.00 0.00 H -ATOM 449 HE2 PHE A 25 5.372 -3.610 -8.130 1.00 0.00 H -ATOM 450 HZ PHE A 25 5.016 -6.056 -8.400 1.00 0.00 H -ATOM 451 N LYS A 26 8.375 -3.972 -4.739 1.00 0.00 N -ATOM 452 CA LYS A 26 9.522 -4.063 -5.681 1.00 0.00 C -ATOM 453 C LYS A 26 9.844 -2.673 -6.223 1.00 0.00 C -ATOM 454 O LYS A 26 10.891 -2.109 -5.970 1.00 0.00 O -ATOM 455 CB LYS A 26 9.007 -4.954 -6.810 1.00 0.00 C -ATOM 456 CG LYS A 26 8.837 -6.390 -6.319 1.00 0.00 C -ATOM 457 CD LYS A 26 10.194 -6.963 -5.898 1.00 0.00 C -ATOM 458 CE LYS A 26 10.060 -8.468 -5.652 1.00 0.00 C -ATOM 459 NZ LYS A 26 11.452 -8.947 -5.428 1.00 0.00 N -ATOM 460 H LYS A 26 7.693 -3.319 -4.902 1.00 0.00 H -ATOM 461 HA LYS A 26 10.377 -4.501 -5.214 1.00 0.00 H -ATOM 462 HB2 LYS A 26 8.049 -4.578 -7.135 1.00 0.00 H -ATOM 463 HB3 LYS A 26 9.704 -4.933 -7.634 1.00 0.00 H -ATOM 464 HG2 LYS A 26 8.161 -6.401 -5.479 1.00 0.00 H -ATOM 465 HG3 LYS A 26 8.427 -6.993 -7.114 1.00 0.00 H -ATOM 466 HD2 LYS A 26 10.916 -6.788 -6.684 1.00 0.00 H -ATOM 467 HD3 LYS A 26 10.526 -6.480 -4.991 1.00 0.00 H -ATOM 468 HE2 LYS A 26 9.451 -8.651 -4.777 1.00 0.00 H -ATOM 469 HE3 LYS A 26 9.636 -8.954 -6.517 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.449 -9.978 -5.304 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 11.841 -8.494 -4.576 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 12.041 -8.702 -6.251 1.00 0.00 H -ATOM 473 N GLY A 27 8.928 -2.129 -6.971 1.00 0.00 N -ATOM 474 CA GLY A 27 9.111 -0.773 -7.563 1.00 0.00 C -ATOM 475 C GLY A 27 10.397 -0.726 -8.397 1.00 0.00 C -ATOM 476 O GLY A 27 11.235 0.136 -8.211 1.00 0.00 O -ATOM 477 H GLY A 27 8.105 -2.623 -7.141 1.00 0.00 H -ATOM 478 HA2 GLY A 27 8.262 -0.551 -8.198 1.00 0.00 H -ATOM 479 HA3 GLY A 27 9.170 -0.040 -6.774 1.00 0.00 H -ATOM 480 N ARG A 28 10.557 -1.650 -9.312 1.00 0.00 N -ATOM 481 CA ARG A 28 11.787 -1.666 -10.161 1.00 0.00 C -ATOM 482 C ARG A 28 11.458 -2.189 -11.561 1.00 0.00 C -ATOM 483 O ARG A 28 10.603 -3.055 -11.663 1.00 0.00 O -ATOM 484 CB ARG A 28 12.751 -2.616 -9.447 1.00 0.00 C -ATOM 485 CG ARG A 28 14.156 -2.467 -10.040 1.00 0.00 C -ATOM 486 CD ARG A 28 14.392 -3.550 -11.102 1.00 0.00 C -ATOM 487 NE ARG A 28 15.631 -4.255 -10.672 1.00 0.00 N -ATOM 488 CZ ARG A 28 16.683 -4.260 -11.444 1.00 0.00 C -ATOM 489 NH1 ARG A 28 17.071 -3.157 -12.024 1.00 0.00 N -ATOM 490 NH2 ARG A 28 17.348 -5.366 -11.637 1.00 0.00 N -ATOM 491 OXT ARG A 28 12.066 -1.716 -12.508 1.00 0.00 O -ATOM 492 H ARG A 28 9.867 -2.333 -9.441 1.00 0.00 H -ATOM 493 HA ARG A 28 12.218 -0.679 -10.219 1.00 0.00 H -ATOM 494 HB2 ARG A 28 12.777 -2.376 -8.394 1.00 0.00 H -ATOM 495 HB3 ARG A 28 12.414 -3.634 -9.576 1.00 0.00 H -ATOM 496 HG2 ARG A 28 14.251 -1.491 -10.494 1.00 0.00 H -ATOM 497 HG3 ARG A 28 14.889 -2.569 -9.253 1.00 0.00 H -ATOM 498 HD2 ARG A 28 13.557 -4.237 -11.133 1.00 0.00 H -ATOM 499 HD3 ARG A 28 14.542 -3.098 -12.070 1.00 0.00 H -ATOM 500 HE ARG A 28 15.656 -4.718 -9.808 1.00 0.00 H -ATOM 501 HH11 ARG A 28 16.563 -2.309 -11.877 1.00 0.00 H -ATOM 502 HH12 ARG A 28 17.878 -3.161 -12.615 1.00 0.00 H -ATOM 503 HH21 ARG A 28 17.051 -6.211 -11.192 1.00 0.00 H -ATOM 504 HH22 ARG A 28 18.154 -5.370 -12.228 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 17 -ATOM 1 N GLU A 1 -10.701 7.295 6.043 1.00 0.00 N -ATOM 2 CA GLU A 1 -11.470 7.784 4.862 1.00 0.00 C -ATOM 3 C GLU A 1 -10.522 8.070 3.694 1.00 0.00 C -ATOM 4 O GLU A 1 -9.961 9.145 3.589 1.00 0.00 O -ATOM 5 CB GLU A 1 -12.143 9.072 5.333 1.00 0.00 C -ATOM 6 CG GLU A 1 -13.038 9.619 4.218 1.00 0.00 C -ATOM 7 CD GLU A 1 -14.461 9.088 4.400 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -14.905 9.016 5.535 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.083 8.764 3.403 1.00 0.00 O -ATOM 10 H1 GLU A 1 -10.108 8.065 6.413 1.00 0.00 H -ATOM 11 H2 GLU A 1 -10.096 6.498 5.755 1.00 0.00 H -ATOM 12 H3 GLU A 1 -11.360 6.982 6.782 1.00 0.00 H -ATOM 13 HA GLU A 1 -12.217 7.062 4.572 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -12.742 8.866 6.208 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -11.388 9.805 5.577 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -13.047 10.699 4.262 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -12.656 9.299 3.261 1.00 0.00 H -ATOM 18 N GLN A 2 -10.340 7.114 2.820 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.429 7.321 1.654 1.00 0.00 C -ATOM 20 C GLN A 2 -9.673 6.244 0.594 1.00 0.00 C -ATOM 21 O GLN A 2 -10.531 5.395 0.745 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.017 7.199 2.231 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.109 8.257 1.596 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.066 9.497 2.492 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -6.829 9.394 3.679 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -7.285 10.671 1.969 1.00 0.00 N -ATOM 27 H GLN A 2 -10.805 6.258 2.929 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.574 8.303 1.233 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.052 7.350 3.300 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.625 6.217 2.018 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -6.113 7.855 1.486 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.497 8.530 0.626 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -7.476 10.754 1.011 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -7.259 11.472 2.535 1.00 0.00 H -ATOM 35 N TYR A 3 -8.926 6.278 -0.481 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.103 5.267 -1.574 1.00 0.00 C -ATOM 37 C TYR A 3 -9.128 3.834 -1.032 1.00 0.00 C -ATOM 38 O TYR A 3 -8.754 3.575 0.096 1.00 0.00 O -ATOM 39 CB TYR A 3 -7.919 5.463 -2.531 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.614 5.563 -1.776 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.139 4.491 -1.007 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -5.881 6.749 -1.848 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -4.935 4.614 -0.317 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.678 6.870 -1.157 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.202 5.803 -0.391 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.010 5.924 0.292 1.00 0.00 O -ATOM 47 H TYR A 3 -8.248 6.979 -0.581 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.010 5.467 -2.100 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -7.872 4.632 -3.218 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.072 6.376 -3.085 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.699 3.568 -0.946 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.248 7.573 -2.440 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.574 3.791 0.273 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.119 7.787 -1.215 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.477 5.148 0.098 1.00 0.00 H -ATOM 56 N THR A 4 -9.568 2.905 -1.843 1.00 0.00 N -ATOM 57 CA THR A 4 -9.628 1.479 -1.407 1.00 0.00 C -ATOM 58 C THR A 4 -8.556 0.665 -2.138 1.00 0.00 C -ATOM 59 O THR A 4 -8.732 -0.506 -2.411 1.00 0.00 O -ATOM 60 CB THR A 4 -11.027 1.006 -1.806 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.976 2.010 -1.472 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.365 -0.285 -1.062 1.00 0.00 C -ATOM 63 H THR A 4 -9.860 3.149 -2.746 1.00 0.00 H -ATOM 64 HA THR A 4 -9.501 1.404 -0.339 1.00 0.00 H -ATOM 65 HB THR A 4 -11.055 0.822 -2.869 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.850 2.242 -0.549 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.171 -0.154 -0.007 1.00 0.00 H -ATOM 68 HG22 THR A 4 -10.756 -1.090 -1.443 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.408 -0.522 -1.208 1.00 0.00 H -ATOM 70 N ALA A 5 -7.446 1.287 -2.460 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.340 0.577 -3.182 1.00 0.00 C -ATOM 72 C ALA A 5 -6.015 -0.762 -2.526 1.00 0.00 C -ATOM 73 O ALA A 5 -5.771 -0.819 -1.343 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.127 1.493 -3.052 1.00 0.00 C -ATOM 75 H ALA A 5 -7.342 2.230 -2.232 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.590 0.445 -4.219 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.455 2.509 -2.892 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.538 1.438 -3.955 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.522 1.167 -2.207 1.00 0.00 H -ATOM 80 N LYS A 6 -5.982 -1.821 -3.288 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.647 -3.153 -2.698 1.00 0.00 C -ATOM 82 C LYS A 6 -4.353 -3.697 -3.302 1.00 0.00 C -ATOM 83 O LYS A 6 -4.100 -3.572 -4.486 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.823 -4.080 -3.020 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.109 -4.081 -4.526 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.862 -5.360 -4.902 1.00 0.00 C -ATOM 87 CE LYS A 6 -9.367 -5.079 -4.942 1.00 0.00 C -ATOM 88 NZ LYS A 6 -9.946 -6.195 -5.740 1.00 0.00 N -ATOM 89 H LYS A 6 -6.160 -1.738 -4.247 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.541 -3.063 -1.629 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.575 -5.081 -2.701 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.700 -3.742 -2.490 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.710 -3.220 -4.777 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.179 -4.041 -5.070 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.533 -5.698 -5.875 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -7.661 -6.127 -4.169 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -9.773 -5.076 -3.940 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -9.560 -4.136 -5.430 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -10.985 -6.131 -5.720 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -9.648 -7.105 -5.333 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -9.613 -6.131 -6.721 1.00 0.00 H -ATOM 102 N TYR A 7 -3.533 -4.302 -2.486 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.244 -4.871 -2.984 1.00 0.00 C -ATOM 104 C TYR A 7 -2.091 -6.305 -2.483 1.00 0.00 C -ATOM 105 O TYR A 7 -2.059 -6.554 -1.293 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.144 -3.989 -2.401 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.190 -2.650 -3.051 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.200 -1.750 -2.719 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.213 -2.309 -3.976 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.240 -0.497 -3.319 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.237 -1.058 -4.582 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.252 -0.141 -4.255 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.283 1.101 -4.857 1.00 0.00 O -ATOM 114 H TYR A 7 -3.772 -4.387 -1.540 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.207 -4.829 -4.061 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.278 -3.873 -1.346 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.188 -4.436 -2.593 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.955 -2.033 -2.002 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.559 -3.021 -4.225 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -3.020 0.204 -3.044 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.532 -0.797 -5.290 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.881 1.052 -5.605 1.00 0.00 H -ATOM 123 N LYS A 8 -2.001 -7.253 -3.380 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.856 -8.690 -2.967 1.00 0.00 C -ATOM 125 C LYS A 8 -2.949 -9.085 -1.959 1.00 0.00 C -ATOM 126 O LYS A 8 -2.783 -10.009 -1.186 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.471 -8.788 -2.318 1.00 0.00 C -ATOM 128 CG LYS A 8 0.565 -9.174 -3.376 1.00 0.00 C -ATOM 129 CD LYS A 8 0.314 -10.612 -3.834 1.00 0.00 C -ATOM 130 CE LYS A 8 1.611 -11.208 -4.386 1.00 0.00 C -ATOM 131 NZ LYS A 8 1.173 -12.247 -5.359 1.00 0.00 N -ATOM 132 H LYS A 8 -2.032 -7.021 -4.332 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.898 -9.333 -3.832 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.207 -7.832 -1.887 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.488 -9.539 -1.543 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.482 -8.506 -4.221 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.556 -9.100 -2.955 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.025 -11.202 -2.995 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -0.440 -10.617 -4.607 1.00 0.00 H -ATOM 140 HE2 LYS A 8 2.193 -10.444 -4.884 1.00 0.00 H -ATOM 141 HE3 LYS A 8 2.184 -11.662 -3.593 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 0.479 -12.876 -4.907 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 1.998 -12.803 -5.667 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 0.737 -11.789 -6.184 1.00 0.00 H -ATOM 145 N GLY A 9 -4.064 -8.392 -1.970 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.171 -8.724 -1.020 1.00 0.00 C -ATOM 147 C GLY A 9 -5.069 -7.848 0.233 1.00 0.00 C -ATOM 148 O GLY A 9 -5.315 -8.299 1.335 1.00 0.00 O -ATOM 149 H GLY A 9 -4.175 -7.655 -2.605 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.120 -8.551 -1.503 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.097 -9.762 -0.734 1.00 0.00 H -ATOM 152 N ARG A 10 -4.709 -6.599 0.071 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.590 -5.685 1.251 1.00 0.00 C -ATOM 154 C ARG A 10 -5.010 -4.264 0.858 1.00 0.00 C -ATOM 155 O ARG A 10 -4.295 -3.576 0.153 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.108 -5.716 1.632 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.704 -7.141 2.014 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.268 -7.142 2.542 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.398 -6.989 4.014 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.477 -6.357 4.688 1.00 0.00 C -ATOM 161 NH1 ARG A 10 0.781 -6.655 4.509 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -0.813 -5.427 5.541 1.00 0.00 N -ATOM 163 H ARG A 10 -4.516 -6.260 -0.827 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.192 -6.044 2.072 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.515 -5.385 0.793 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.940 -5.059 2.473 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.370 -7.512 2.780 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.764 -7.778 1.145 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.783 -8.078 2.305 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -0.714 -6.314 2.132 1.00 0.00 H -ATOM 171 HE ARG A 10 -2.172 -7.366 4.475 1.00 0.00 H -ATOM 172 HH11 ARG A 10 1.038 -7.368 3.856 1.00 0.00 H -ATOM 173 HH12 ARG A 10 1.488 -6.172 5.025 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -1.776 -5.198 5.677 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -0.105 -4.944 6.058 1.00 0.00 H -ATOM 176 N THR A 11 -6.161 -3.822 1.303 1.00 0.00 N -ATOM 177 CA THR A 11 -6.625 -2.445 0.944 1.00 0.00 C -ATOM 178 C THR A 11 -5.738 -1.386 1.612 1.00 0.00 C -ATOM 179 O THR A 11 -5.005 -1.676 2.539 1.00 0.00 O -ATOM 180 CB THR A 11 -8.058 -2.339 1.469 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.846 -3.378 0.906 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.643 -0.976 1.075 1.00 0.00 C -ATOM 183 H THR A 11 -6.721 -4.397 1.867 1.00 0.00 H -ATOM 184 HA THR A 11 -6.623 -2.328 -0.124 1.00 0.00 H -ATOM 185 HB THR A 11 -8.056 -2.427 2.544 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.040 -4.012 1.602 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.719 -1.048 1.024 1.00 0.00 H -ATOM 188 HG22 THR A 11 -8.254 -0.679 0.111 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.367 -0.238 1.813 1.00 0.00 H -ATOM 190 N PHE A 12 -5.813 -0.158 1.154 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.988 0.926 1.769 1.00 0.00 C -ATOM 192 C PHE A 12 -5.842 2.169 2.027 1.00 0.00 C -ATOM 193 O PHE A 12 -6.374 2.771 1.116 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.872 1.228 0.762 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.804 0.192 0.928 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.956 -1.021 0.277 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.674 0.436 1.724 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.986 -2.012 0.414 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.694 -0.558 1.858 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.855 -1.785 1.206 1.00 0.00 C -ATOM 201 H PHE A 12 -6.417 0.050 0.413 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.555 0.580 2.695 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.255 1.179 -0.257 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.459 2.207 0.953 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.828 -1.187 -0.345 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.561 1.383 2.233 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.118 -2.955 -0.077 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.188 -0.377 2.458 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.101 -2.553 1.306 1.00 0.00 H -ATOM 210 N ARG A 13 -5.966 2.552 3.270 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.770 3.758 3.618 1.00 0.00 C -ATOM 212 C ARG A 13 -5.840 4.837 4.173 1.00 0.00 C -ATOM 213 O ARG A 13 -6.201 5.590 5.058 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.750 3.285 4.694 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.688 2.218 4.110 1.00 0.00 C -ATOM 216 CD ARG A 13 -8.827 1.055 5.097 1.00 0.00 C -ATOM 217 NE ARG A 13 -9.550 1.625 6.266 1.00 0.00 N -ATOM 218 CZ ARG A 13 -10.556 0.979 6.791 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -11.497 0.500 6.025 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -10.620 0.813 8.084 1.00 0.00 N -ATOM 221 H ARG A 13 -5.520 2.045 3.981 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.306 4.121 2.755 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.197 2.868 5.524 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.336 4.124 5.040 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.659 2.655 3.931 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.283 1.850 3.181 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -9.398 0.252 4.653 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -7.854 0.704 5.403 1.00 0.00 H -ATOM 229 HE ARG A 13 -9.269 2.484 6.642 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -11.449 0.629 5.034 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -12.267 0.005 6.427 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -9.899 1.178 8.672 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -11.390 0.319 8.487 1.00 0.00 H -ATOM 234 N ASN A 14 -4.639 4.902 3.658 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.660 5.915 4.146 1.00 0.00 C -ATOM 236 C ASN A 14 -2.534 6.089 3.119 1.00 0.00 C -ATOM 237 O ASN A 14 -2.123 5.147 2.469 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.133 5.334 5.466 1.00 0.00 C -ATOM 239 CG ASN A 14 -1.994 6.196 6.011 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -0.856 5.773 6.044 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.261 7.392 6.445 1.00 0.00 N -ATOM 242 H ASN A 14 -4.378 4.275 2.949 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.152 6.857 4.329 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.935 5.316 6.189 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.774 4.329 5.300 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -3.183 7.723 6.416 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.544 7.959 6.798 1.00 0.00 H -ATOM 248 N GLU A 15 -2.041 7.291 2.973 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.947 7.549 1.988 1.00 0.00 C -ATOM 250 C GLU A 15 0.384 6.989 2.497 1.00 0.00 C -ATOM 251 O GLU A 15 1.078 6.281 1.791 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.873 9.072 1.869 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.060 9.451 0.629 1.00 0.00 C -ATOM 254 CD GLU A 15 0.207 10.957 0.636 1.00 0.00 C -ATOM 255 OE1 GLU A 15 0.933 11.406 1.507 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -0.318 11.636 -0.232 1.00 0.00 O -ATOM 257 H GLU A 15 -2.397 8.028 3.513 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.194 7.119 1.031 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.873 9.475 1.783 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.396 9.479 2.748 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.879 8.916 0.638 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.616 9.189 -0.258 1.00 0.00 H -ATOM 263 N LYS A 16 0.750 7.306 3.716 1.00 0.00 N -ATOM 264 CA LYS A 16 2.047 6.806 4.280 1.00 0.00 C -ATOM 265 C LYS A 16 2.168 5.290 4.121 1.00 0.00 C -ATOM 266 O LYS A 16 3.212 4.769 3.777 1.00 0.00 O -ATOM 267 CB LYS A 16 2.015 7.185 5.761 1.00 0.00 C -ATOM 268 CG LYS A 16 2.067 8.709 5.903 1.00 0.00 C -ATOM 269 CD LYS A 16 2.024 9.086 7.385 1.00 0.00 C -ATOM 270 CE LYS A 16 2.845 10.358 7.613 1.00 0.00 C -ATOM 271 NZ LYS A 16 4.187 9.878 8.045 1.00 0.00 N -ATOM 272 H LYS A 16 0.178 7.885 4.258 1.00 0.00 H -ATOM 273 HA LYS A 16 2.862 7.292 3.798 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.107 6.810 6.208 1.00 0.00 H -ATOM 275 HB3 LYS A 16 2.869 6.751 6.261 1.00 0.00 H -ATOM 276 HG2 LYS A 16 2.980 9.081 5.461 1.00 0.00 H -ATOM 277 HG3 LYS A 16 1.219 9.146 5.398 1.00 0.00 H -ATOM 278 HD2 LYS A 16 1.000 9.260 7.682 1.00 0.00 H -ATOM 279 HD3 LYS A 16 2.439 8.282 7.973 1.00 0.00 H -ATOM 280 HE2 LYS A 16 2.922 10.924 6.695 1.00 0.00 H -ATOM 281 HE3 LYS A 16 2.400 10.958 8.392 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 4.799 10.694 8.248 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 4.611 9.308 7.284 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 4.090 9.297 8.902 1.00 0.00 H -ATOM 285 N GLU A 17 1.102 4.592 4.370 1.00 0.00 N -ATOM 286 CA GLU A 17 1.121 3.100 4.242 1.00 0.00 C -ATOM 287 C GLU A 17 1.455 2.697 2.805 1.00 0.00 C -ATOM 288 O GLU A 17 2.423 2.005 2.553 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.296 2.643 4.597 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.447 2.549 6.116 1.00 0.00 C -ATOM 291 CD GLU A 17 0.487 1.465 6.661 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.268 0.307 6.344 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.403 1.812 7.388 1.00 0.00 O -ATOM 294 H GLU A 17 0.285 5.055 4.643 1.00 0.00 H -ATOM 295 HA GLU A 17 1.831 2.671 4.931 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.010 3.356 4.209 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.481 1.675 4.158 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.197 3.500 6.562 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.468 2.296 6.357 1.00 0.00 H -ATOM 300 N LEU A 18 0.651 3.122 1.866 1.00 0.00 N -ATOM 301 CA LEU A 18 0.899 2.766 0.432 1.00 0.00 C -ATOM 302 C LEU A 18 2.289 3.237 -0.005 1.00 0.00 C -ATOM 303 O LEU A 18 3.021 2.508 -0.648 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.203 3.492 -0.352 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.487 2.764 -1.671 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.987 1.336 -1.394 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.559 3.536 -2.447 1.00 0.00 C -ATOM 308 H LEU A 18 -0.123 3.672 2.105 1.00 0.00 H -ATOM 309 HA LEU A 18 0.816 1.704 0.296 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.105 3.520 0.241 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.117 4.502 -0.565 1.00 0.00 H -ATOM 312 HG LEU A 18 0.416 2.726 -2.256 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.793 1.076 -0.378 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.476 0.637 -2.036 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -2.049 1.277 -1.580 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.200 4.058 -1.752 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -2.148 2.845 -3.031 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.084 4.249 -3.105 1.00 0.00 H -ATOM 319 N ARG A 19 2.661 4.440 0.348 1.00 0.00 N -ATOM 320 CA ARG A 19 4.013 4.948 -0.040 1.00 0.00 C -ATOM 321 C ARG A 19 5.108 4.057 0.562 1.00 0.00 C -ATOM 322 O ARG A 19 6.232 4.048 0.097 1.00 0.00 O -ATOM 323 CB ARG A 19 4.097 6.362 0.538 1.00 0.00 C -ATOM 324 CG ARG A 19 3.217 7.302 -0.287 1.00 0.00 C -ATOM 325 CD ARG A 19 3.618 8.752 -0.008 1.00 0.00 C -ATOM 326 NE ARG A 19 3.455 9.452 -1.313 1.00 0.00 N -ATOM 327 CZ ARG A 19 4.507 9.847 -1.977 1.00 0.00 C -ATOM 328 NH1 ARG A 19 5.330 10.708 -1.444 1.00 0.00 N -ATOM 329 NH2 ARG A 19 4.735 9.380 -3.173 1.00 0.00 N -ATOM 330 H ARG A 19 2.055 5.004 0.873 1.00 0.00 H -ATOM 331 HA ARG A 19 4.107 4.982 -1.112 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.756 6.353 1.563 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.120 6.704 0.500 1.00 0.00 H -ATOM 334 HG2 ARG A 19 3.347 7.088 -1.338 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.183 7.158 -0.015 1.00 0.00 H -ATOM 336 HD2 ARG A 19 2.963 9.185 0.738 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.646 8.806 0.315 1.00 0.00 H -ATOM 338 HE ARG A 19 2.558 9.617 -1.672 1.00 0.00 H -ATOM 339 HH11 ARG A 19 5.154 11.066 -0.526 1.00 0.00 H -ATOM 340 HH12 ARG A 19 6.135 11.011 -1.952 1.00 0.00 H -ATOM 341 HH21 ARG A 19 4.104 8.720 -3.582 1.00 0.00 H -ATOM 342 HH22 ARG A 19 5.540 9.683 -3.683 1.00 0.00 H -ATOM 343 N ASP A 20 4.788 3.310 1.592 1.00 0.00 N -ATOM 344 CA ASP A 20 5.806 2.421 2.224 1.00 0.00 C -ATOM 345 C ASP A 20 5.611 0.971 1.769 1.00 0.00 C -ATOM 346 O ASP A 20 6.546 0.191 1.753 1.00 0.00 O -ATOM 347 CB ASP A 20 5.561 2.548 3.728 1.00 0.00 C -ATOM 348 CG ASP A 20 6.756 1.974 4.490 1.00 0.00 C -ATOM 349 OD1 ASP A 20 6.752 0.781 4.748 1.00 0.00 O -ATOM 350 OD2 ASP A 20 7.656 2.736 4.802 1.00 0.00 O -ATOM 351 H ASP A 20 3.878 3.334 1.952 1.00 0.00 H -ATOM 352 HA ASP A 20 6.802 2.761 1.985 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.434 3.590 3.985 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.670 2.000 3.995 1.00 0.00 H -ATOM 355 N PHE A 21 4.406 0.602 1.405 1.00 0.00 N -ATOM 356 CA PHE A 21 4.159 -0.804 0.956 1.00 0.00 C -ATOM 357 C PHE A 21 4.825 -1.073 -0.402 1.00 0.00 C -ATOM 358 O PHE A 21 5.818 -1.769 -0.490 1.00 0.00 O -ATOM 359 CB PHE A 21 2.641 -0.952 0.840 1.00 0.00 C -ATOM 360 CG PHE A 21 2.359 -2.366 0.412 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.371 -3.375 1.367 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.127 -2.668 -0.935 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.140 -4.702 0.989 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.899 -3.994 -1.319 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.900 -5.012 -0.356 1.00 0.00 C -ATOM 366 H PHE A 21 3.668 1.246 1.429 1.00 0.00 H -ATOM 367 HA PHE A 21 4.522 -1.506 1.697 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.191 -0.767 1.797 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.239 -0.263 0.120 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.572 -3.125 2.398 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.125 -1.879 -1.678 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.141 -5.486 1.733 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.725 -4.232 -2.357 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.724 -6.036 -0.652 1.00 0.00 H -ATOM 375 N ILE A 22 4.261 -0.542 -1.462 1.00 0.00 N -ATOM 376 CA ILE A 22 4.822 -0.766 -2.837 1.00 0.00 C -ATOM 377 C ILE A 22 6.333 -0.506 -2.844 1.00 0.00 C -ATOM 378 O ILE A 22 7.083 -1.140 -3.564 1.00 0.00 O -ATOM 379 CB ILE A 22 4.091 0.235 -3.740 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.602 -0.125 -3.790 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.658 0.152 -5.158 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.797 0.826 -2.913 1.00 0.00 C -ATOM 383 H ILE A 22 3.459 -0.004 -1.349 1.00 0.00 H -ATOM 384 HA ILE A 22 4.601 -1.770 -3.171 1.00 0.00 H -ATOM 385 HB ILE A 22 4.216 1.234 -3.353 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.248 -0.054 -4.806 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.466 -1.133 -3.434 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.205 0.915 -5.771 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.435 -0.821 -5.570 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.727 0.295 -5.129 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.483 0.304 -2.019 1.00 0.00 H -ATOM 392 HD12 ILE A 22 0.926 1.163 -3.456 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.405 1.675 -2.640 1.00 0.00 H -ATOM 394 N GLU A 23 6.771 0.419 -2.035 1.00 0.00 N -ATOM 395 CA GLU A 23 8.230 0.729 -1.969 1.00 0.00 C -ATOM 396 C GLU A 23 8.964 -0.426 -1.290 1.00 0.00 C -ATOM 397 O GLU A 23 10.097 -0.730 -1.613 1.00 0.00 O -ATOM 398 CB GLU A 23 8.337 2.007 -1.134 1.00 0.00 C -ATOM 399 CG GLU A 23 7.975 3.214 -2.001 1.00 0.00 C -ATOM 400 CD GLU A 23 8.717 4.451 -1.493 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.936 4.446 -1.539 1.00 0.00 O -ATOM 402 OE2 GLU A 23 8.055 5.383 -1.065 1.00 0.00 O -ATOM 403 H GLU A 23 6.135 0.903 -1.463 1.00 0.00 H -ATOM 404 HA GLU A 23 8.626 0.895 -2.958 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.657 1.946 -0.296 1.00 0.00 H -ATOM 406 HB3 GLU A 23 9.347 2.117 -0.771 1.00 0.00 H -ATOM 407 HG2 GLU A 23 8.258 3.019 -3.026 1.00 0.00 H -ATOM 408 HG3 GLU A 23 6.910 3.390 -1.948 1.00 0.00 H -ATOM 409 N LYS A 24 8.316 -1.079 -0.362 1.00 0.00 N -ATOM 410 CA LYS A 24 8.955 -2.230 0.336 1.00 0.00 C -ATOM 411 C LYS A 24 8.706 -3.512 -0.462 1.00 0.00 C -ATOM 412 O LYS A 24 9.615 -4.279 -0.720 1.00 0.00 O -ATOM 413 CB LYS A 24 8.268 -2.298 1.701 1.00 0.00 C -ATOM 414 CG LYS A 24 8.921 -3.394 2.551 1.00 0.00 C -ATOM 415 CD LYS A 24 8.958 -2.955 4.020 1.00 0.00 C -ATOM 416 CE LYS A 24 8.582 -4.135 4.923 1.00 0.00 C -ATOM 417 NZ LYS A 24 9.613 -4.143 6.000 1.00 0.00 N -ATOM 418 H LYS A 24 7.399 -0.817 -0.132 1.00 0.00 H -ATOM 419 HA LYS A 24 10.012 -2.058 0.459 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.369 -1.346 2.202 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.221 -2.525 1.568 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.349 -4.306 2.458 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.928 -3.565 2.204 1.00 0.00 H -ATOM 424 HD2 LYS A 24 9.953 -2.614 4.266 1.00 0.00 H -ATOM 425 HD3 LYS A 24 8.255 -2.150 4.175 1.00 0.00 H -ATOM 426 HE2 LYS A 24 7.598 -3.984 5.344 1.00 0.00 H -ATOM 427 HE3 LYS A 24 8.617 -5.061 4.371 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 9.683 -3.195 6.420 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 10.532 -4.411 5.597 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 9.341 -4.830 6.733 1.00 0.00 H -ATOM 431 N PHE A 25 7.478 -3.742 -0.862 1.00 0.00 N -ATOM 432 CA PHE A 25 7.158 -4.961 -1.648 1.00 0.00 C -ATOM 433 C PHE A 25 7.394 -4.705 -3.143 1.00 0.00 C -ATOM 434 O PHE A 25 6.513 -4.894 -3.960 1.00 0.00 O -ATOM 435 CB PHE A 25 5.678 -5.237 -1.373 1.00 0.00 C -ATOM 436 CG PHE A 25 5.256 -6.499 -2.086 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.952 -7.694 -1.868 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.170 -6.472 -2.966 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.560 -8.863 -2.530 1.00 0.00 C -ATOM 440 CE2 PHE A 25 3.777 -7.640 -3.630 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.472 -8.836 -3.411 1.00 0.00 C -ATOM 442 H PHE A 25 6.770 -3.114 -0.645 1.00 0.00 H -ATOM 443 HA PHE A 25 7.753 -5.781 -1.306 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.526 -5.357 -0.310 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.084 -4.409 -1.730 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.792 -7.712 -1.189 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.636 -5.549 -3.133 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.097 -9.785 -2.362 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.939 -7.619 -4.310 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.169 -9.737 -3.924 1.00 0.00 H -ATOM 451 N LYS A 26 8.577 -4.267 -3.501 1.00 0.00 N -ATOM 452 CA LYS A 26 8.890 -3.982 -4.942 1.00 0.00 C -ATOM 453 C LYS A 26 8.468 -5.133 -5.857 1.00 0.00 C -ATOM 454 O LYS A 26 7.867 -4.932 -6.896 1.00 0.00 O -ATOM 455 CB LYS A 26 10.411 -3.786 -5.003 1.00 0.00 C -ATOM 456 CG LYS A 26 11.157 -4.985 -4.402 1.00 0.00 C -ATOM 457 CD LYS A 26 12.609 -4.596 -4.124 1.00 0.00 C -ATOM 458 CE LYS A 26 13.378 -5.820 -3.619 1.00 0.00 C -ATOM 459 NZ LYS A 26 13.372 -5.693 -2.135 1.00 0.00 N -ATOM 460 H LYS A 26 9.262 -4.113 -2.817 1.00 0.00 H -ATOM 461 HA LYS A 26 8.402 -3.082 -5.248 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.705 -3.679 -6.030 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.675 -2.897 -4.458 1.00 0.00 H -ATOM 464 HG2 LYS A 26 10.682 -5.286 -3.481 1.00 0.00 H -ATOM 465 HG3 LYS A 26 11.136 -5.807 -5.102 1.00 0.00 H -ATOM 466 HD2 LYS A 26 13.065 -4.233 -5.034 1.00 0.00 H -ATOM 467 HD3 LYS A 26 12.637 -3.821 -3.372 1.00 0.00 H -ATOM 468 HE2 LYS A 26 12.878 -6.729 -3.924 1.00 0.00 H -ATOM 469 HE3 LYS A 26 14.393 -5.805 -3.986 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 13.825 -6.530 -1.713 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 12.391 -5.623 -1.797 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 13.894 -4.839 -1.856 1.00 0.00 H -ATOM 473 N GLY A 27 8.783 -6.324 -5.467 1.00 0.00 N -ATOM 474 CA GLY A 27 8.420 -7.519 -6.285 1.00 0.00 C -ATOM 475 C GLY A 27 9.276 -7.548 -7.551 1.00 0.00 C -ATOM 476 O GLY A 27 8.804 -7.263 -8.636 1.00 0.00 O -ATOM 477 H GLY A 27 9.264 -6.431 -4.630 1.00 0.00 H -ATOM 478 HA2 GLY A 27 8.595 -8.415 -5.708 1.00 0.00 H -ATOM 479 HA3 GLY A 27 7.378 -7.464 -6.560 1.00 0.00 H -ATOM 480 N ARG A 28 10.532 -7.890 -7.419 1.00 0.00 N -ATOM 481 CA ARG A 28 11.431 -7.939 -8.611 1.00 0.00 C -ATOM 482 C ARG A 28 12.372 -9.142 -8.515 1.00 0.00 C -ATOM 483 O ARG A 28 13.452 -9.071 -9.078 1.00 0.00 O -ATOM 484 CB ARG A 28 12.224 -6.633 -8.562 1.00 0.00 C -ATOM 485 CG ARG A 28 12.557 -6.183 -9.986 1.00 0.00 C -ATOM 486 CD ARG A 28 11.386 -5.379 -10.554 1.00 0.00 C -ATOM 487 NE ARG A 28 11.468 -4.053 -9.881 1.00 0.00 N -ATOM 488 CZ ARG A 28 10.377 -3.426 -9.537 1.00 0.00 C -ATOM 489 NH1 ARG A 28 9.494 -4.019 -8.781 1.00 0.00 N -ATOM 490 NH2 ARG A 28 10.167 -2.207 -9.952 1.00 0.00 N -ATOM 491 OXT ARG A 28 11.996 -10.114 -7.881 1.00 0.00 O -ATOM 492 H ARG A 28 10.886 -8.114 -6.534 1.00 0.00 H -ATOM 493 HA ARG A 28 10.851 -7.984 -9.520 1.00 0.00 H -ATOM 494 HB2 ARG A 28 11.633 -5.871 -8.073 1.00 0.00 H -ATOM 495 HB3 ARG A 28 13.139 -6.787 -8.013 1.00 0.00 H -ATOM 496 HG2 ARG A 28 13.444 -5.567 -9.970 1.00 0.00 H -ATOM 497 HG3 ARG A 28 12.729 -7.050 -10.606 1.00 0.00 H -ATOM 498 HD2 ARG A 28 11.493 -5.268 -11.625 1.00 0.00 H -ATOM 499 HD3 ARG A 28 10.449 -5.857 -10.316 1.00 0.00 H -ATOM 500 HE ARG A 28 12.344 -3.652 -9.695 1.00 0.00 H -ATOM 501 HH11 ARG A 28 9.655 -4.954 -8.464 1.00 0.00 H -ATOM 502 HH12 ARG A 28 8.658 -3.539 -8.518 1.00 0.00 H -ATOM 503 HH21 ARG A 28 10.844 -1.752 -10.532 1.00 0.00 H -ATOM 504 HH22 ARG A 28 9.331 -1.726 -9.689 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 18 -ATOM 1 N GLU A 1 -14.395 7.982 3.725 1.00 0.00 N -ATOM 2 CA GLU A 1 -13.085 7.484 4.241 1.00 0.00 C -ATOM 3 C GLU A 1 -11.990 7.675 3.187 1.00 0.00 C -ATOM 4 O GLU A 1 -12.177 8.368 2.205 1.00 0.00 O -ATOM 5 CB GLU A 1 -13.302 5.994 4.530 1.00 0.00 C -ATOM 6 CG GLU A 1 -13.768 5.270 3.260 1.00 0.00 C -ATOM 7 CD GLU A 1 -13.174 3.861 3.225 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -11.959 3.753 3.171 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -13.942 2.914 3.250 1.00 0.00 O -ATOM 10 H1 GLU A 1 -14.554 7.610 2.767 1.00 0.00 H -ATOM 11 H2 GLU A 1 -14.383 9.022 3.697 1.00 0.00 H -ATOM 12 H3 GLU A 1 -15.160 7.660 4.351 1.00 0.00 H -ATOM 13 HA GLU A 1 -12.823 7.999 5.151 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -12.373 5.558 4.870 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -14.050 5.883 5.300 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -14.847 5.206 3.261 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -13.441 5.818 2.391 1.00 0.00 H -ATOM 18 N GLN A 2 -10.851 7.062 3.389 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.737 7.200 2.401 1.00 0.00 C -ATOM 20 C GLN A 2 -10.024 6.347 1.164 1.00 0.00 C -ATOM 21 O GLN A 2 -11.072 5.738 1.050 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.491 6.689 3.127 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.706 7.874 3.698 1.00 0.00 C -ATOM 24 CD GLN A 2 -8.092 8.085 5.163 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -9.252 8.265 5.479 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -7.162 8.072 6.078 1.00 0.00 N -ATOM 27 H GLN A 2 -10.730 6.509 4.188 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.606 8.234 2.124 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.787 6.031 3.931 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.866 6.149 2.432 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -6.648 7.670 3.630 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.939 8.765 3.135 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -6.227 7.928 5.823 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -7.398 8.207 7.020 1.00 0.00 H -ATOM 35 N TYR A 3 -9.101 6.304 0.236 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.315 5.493 -0.999 1.00 0.00 C -ATOM 37 C TYR A 3 -9.289 3.995 -0.671 1.00 0.00 C -ATOM 38 O TYR A 3 -9.285 3.606 0.483 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.173 5.884 -1.943 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.847 5.513 -1.333 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.411 4.190 -1.381 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.055 6.489 -0.725 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.191 3.837 -0.826 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.827 6.137 -0.163 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.391 4.808 -0.214 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.176 4.455 0.338 1.00 0.00 O -ATOM 47 H TYR A 3 -8.269 6.806 0.354 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.249 5.750 -1.448 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.291 5.367 -2.884 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.201 6.950 -2.115 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -7.020 3.432 -1.847 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.393 7.513 -0.686 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.871 2.814 -0.872 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.218 6.889 0.307 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.538 5.136 0.109 1.00 0.00 H -ATOM 56 N THR A 4 -9.270 3.159 -1.678 1.00 0.00 N -ATOM 57 CA THR A 4 -9.242 1.687 -1.430 1.00 0.00 C -ATOM 58 C THR A 4 -7.865 1.093 -1.778 1.00 0.00 C -ATOM 59 O THR A 4 -7.120 0.717 -0.909 1.00 0.00 O -ATOM 60 CB THR A 4 -10.332 1.115 -2.344 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.579 1.711 -2.014 1.00 0.00 O -ATOM 62 CG2 THR A 4 -10.424 -0.401 -2.157 1.00 0.00 C -ATOM 63 H THR A 4 -9.273 3.499 -2.596 1.00 0.00 H -ATOM 64 HA THR A 4 -9.487 1.479 -0.401 1.00 0.00 H -ATOM 65 HB THR A 4 -10.092 1.332 -3.373 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.090 1.796 -2.823 1.00 0.00 H -ATOM 67 HG21 THR A 4 -10.581 -0.625 -1.112 1.00 0.00 H -ATOM 68 HG22 THR A 4 -9.506 -0.861 -2.490 1.00 0.00 H -ATOM 69 HG23 THR A 4 -11.251 -0.785 -2.735 1.00 0.00 H -ATOM 70 N ALA A 5 -7.536 1.013 -3.042 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.224 0.439 -3.495 1.00 0.00 C -ATOM 72 C ALA A 5 -5.913 -0.903 -2.836 1.00 0.00 C -ATOM 73 O ALA A 5 -5.603 -0.985 -1.665 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.158 1.450 -3.121 1.00 0.00 C -ATOM 75 H ALA A 5 -8.155 1.338 -3.708 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.235 0.319 -4.566 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.626 2.355 -2.789 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.550 1.651 -3.988 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.537 1.043 -2.333 1.00 0.00 H -ATOM 80 N LYS A 6 -5.938 -1.941 -3.609 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.601 -3.295 -3.077 1.00 0.00 C -ATOM 82 C LYS A 6 -4.368 -3.819 -3.805 1.00 0.00 C -ATOM 83 O LYS A 6 -4.185 -3.580 -4.985 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.816 -4.183 -3.348 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.178 -4.138 -4.833 1.00 0.00 C -ATOM 86 CD LYS A 6 -8.149 -5.275 -5.159 1.00 0.00 C -ATOM 87 CE LYS A 6 -7.890 -5.779 -6.580 1.00 0.00 C -ATOM 88 NZ LYS A 6 -8.947 -6.800 -6.825 1.00 0.00 N -ATOM 89 H LYS A 6 -6.141 -1.822 -4.556 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.411 -3.241 -2.015 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.579 -5.200 -3.066 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.653 -3.834 -2.764 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.644 -3.189 -5.056 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.283 -4.249 -5.424 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -8.005 -6.085 -4.457 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -9.164 -4.914 -5.087 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -7.978 -4.966 -7.288 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -6.914 -6.234 -6.647 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -9.876 -6.334 -6.869 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -8.944 -7.495 -6.051 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -8.759 -7.286 -7.724 1.00 0.00 H -ATOM 102 N TYR A 7 -3.510 -4.508 -3.106 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.267 -5.027 -3.743 1.00 0.00 C -ATOM 104 C TYR A 7 -2.165 -6.546 -3.567 1.00 0.00 C -ATOM 105 O TYR A 7 -2.474 -7.301 -4.470 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.142 -4.295 -3.015 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.153 -2.856 -3.453 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.158 -1.998 -3.002 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.161 -2.384 -4.311 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.177 -0.662 -3.410 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.171 -1.052 -4.725 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.180 -0.186 -4.275 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.192 1.132 -4.686 1.00 0.00 O -ATOM 114 H TYR A 7 -3.678 -4.670 -2.154 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.246 -4.763 -4.789 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.301 -4.347 -1.947 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.191 -4.739 -3.265 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.922 -2.370 -2.336 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.611 -3.053 -4.659 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.956 0.003 -3.052 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.606 -0.690 -5.381 1.00 0.00 H -ATOM 122 HH TYR A 7 -2.069 1.331 -5.021 1.00 0.00 H -ATOM 123 N LYS A 8 -1.748 -6.998 -2.412 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.641 -8.467 -2.170 1.00 0.00 C -ATOM 125 C LYS A 8 -2.673 -8.879 -1.117 1.00 0.00 C -ATOM 126 O LYS A 8 -2.334 -9.385 -0.063 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.212 -8.686 -1.658 1.00 0.00 C -ATOM 128 CG LYS A 8 0.430 -9.861 -2.406 1.00 0.00 C -ATOM 129 CD LYS A 8 -0.309 -11.161 -2.060 1.00 0.00 C -ATOM 130 CE LYS A 8 0.528 -11.989 -1.080 1.00 0.00 C -ATOM 131 NZ LYS A 8 0.450 -11.250 0.212 1.00 0.00 N -ATOM 132 H LYS A 8 -1.515 -6.369 -1.697 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.800 -9.013 -3.087 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.372 -7.793 -1.827 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.233 -8.905 -0.601 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.367 -9.684 -3.470 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.466 -9.947 -2.117 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -1.264 -10.928 -1.611 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -0.469 -11.732 -2.963 1.00 0.00 H -ATOM 140 HE2 LYS A 8 0.109 -12.980 -0.975 1.00 0.00 H -ATOM 141 HE3 LYS A 8 1.552 -12.044 -1.412 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 -0.546 -11.073 0.450 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 0.953 -10.343 0.122 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 0.888 -11.818 0.963 1.00 0.00 H -ATOM 145 N GLY A 9 -3.931 -8.645 -1.393 1.00 0.00 N -ATOM 146 CA GLY A 9 -4.997 -8.995 -0.412 1.00 0.00 C -ATOM 147 C GLY A 9 -4.949 -7.992 0.743 1.00 0.00 C -ATOM 148 O GLY A 9 -5.265 -8.315 1.873 1.00 0.00 O -ATOM 149 H GLY A 9 -4.172 -8.224 -2.245 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -5.963 -8.950 -0.894 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.826 -9.989 -0.029 1.00 0.00 H -ATOM 152 N ARG A 10 -4.544 -6.777 0.464 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.459 -5.740 1.536 1.00 0.00 C -ATOM 154 C ARG A 10 -4.874 -4.376 0.987 1.00 0.00 C -ATOM 155 O ARG A 10 -4.080 -3.692 0.367 1.00 0.00 O -ATOM 156 CB ARG A 10 -2.981 -5.693 1.941 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.516 -7.078 2.402 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.049 -7.008 2.829 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.070 -6.363 4.172 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.546 -6.976 5.199 1.00 0.00 C -ATOM 161 NH1 ARG A 10 0.600 -7.590 5.078 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.167 -6.974 6.346 1.00 0.00 N -ATOM 163 H ARG A 10 -4.291 -6.547 -0.454 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.068 -6.014 2.383 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.388 -5.372 1.093 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.856 -4.988 2.749 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.122 -7.401 3.236 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.618 -7.781 1.589 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.630 -8.004 2.893 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -0.483 -6.404 2.138 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.475 -5.479 4.284 1.00 0.00 H -ATOM 172 HH11 ARG A 10 1.076 -7.591 4.199 1.00 0.00 H -ATOM 173 HH12 ARG A 10 1.001 -8.060 5.865 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -2.045 -6.503 6.439 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -0.766 -7.443 7.133 1.00 0.00 H -ATOM 176 N THR A 11 -6.097 -3.963 1.216 1.00 0.00 N -ATOM 177 CA THR A 11 -6.524 -2.626 0.706 1.00 0.00 C -ATOM 178 C THR A 11 -5.723 -1.538 1.427 1.00 0.00 C -ATOM 179 O THR A 11 -5.086 -1.793 2.431 1.00 0.00 O -ATOM 180 CB THR A 11 -8.012 -2.495 1.035 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.716 -3.600 0.489 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.548 -1.189 0.431 1.00 0.00 C -ATOM 183 H THR A 11 -6.720 -4.520 1.726 1.00 0.00 H -ATOM 184 HA THR A 11 -6.374 -2.569 -0.362 1.00 0.00 H -ATOM 185 HB THR A 11 -8.145 -2.472 2.105 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.736 -4.296 1.150 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.618 -1.143 0.563 1.00 0.00 H -ATOM 188 HG22 THR A 11 -8.314 -1.158 -0.625 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.087 -0.343 0.922 1.00 0.00 H -ATOM 190 N PHE A 12 -5.748 -0.336 0.922 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.989 0.771 1.570 1.00 0.00 C -ATOM 192 C PHE A 12 -5.888 1.994 1.770 1.00 0.00 C -ATOM 193 O PHE A 12 -6.679 2.344 0.916 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.850 1.074 0.598 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.775 0.040 0.790 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.828 -1.142 0.049 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.736 0.256 1.708 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.842 -2.122 0.223 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.748 -0.724 1.880 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.804 -1.913 1.138 1.00 0.00 C -ATOM 201 H PHE A 12 -6.268 -0.160 0.111 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.586 0.445 2.516 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.217 1.023 -0.425 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.449 2.056 0.798 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.632 -1.292 -0.663 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.700 1.173 2.287 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.887 -3.044 -0.341 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.060 -0.563 2.580 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.045 -2.667 1.270 1.00 0.00 H -ATOM 210 N ARG A 13 -5.767 2.642 2.901 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.603 3.846 3.179 1.00 0.00 C -ATOM 212 C ARG A 13 -5.718 4.972 3.716 1.00 0.00 C -ATOM 213 O ARG A 13 -6.103 5.714 4.600 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.606 3.397 4.243 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.840 2.798 3.565 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.385 1.649 4.416 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.625 1.209 3.721 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.752 1.139 4.376 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.087 2.094 5.201 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -12.542 0.116 4.206 1.00 0.00 N -ATOM 221 H ARG A 13 -5.121 2.332 3.570 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.122 4.163 2.289 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.146 2.653 4.880 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -7.902 4.247 4.840 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.599 3.561 3.460 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.568 2.423 2.589 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -8.668 0.841 4.457 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.621 1.995 5.410 1.00 0.00 H -ATOM 229 HE ARG A 13 -10.595 0.971 2.772 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -11.482 2.879 5.331 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -12.950 2.039 5.703 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -12.284 -0.616 3.574 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -13.406 0.061 4.707 1.00 0.00 H -ATOM 234 N ASN A 14 -4.527 5.096 3.185 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.592 6.163 3.652 1.00 0.00 C -ATOM 236 C ASN A 14 -2.386 6.243 2.706 1.00 0.00 C -ATOM 237 O ASN A 14 -1.846 5.236 2.290 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.168 5.728 5.065 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.059 6.639 5.600 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -0.923 6.228 5.726 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.350 7.865 5.919 1.00 0.00 N -ATOM 242 H ASN A 14 -4.246 4.480 2.476 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.099 7.115 3.696 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -4.020 5.790 5.724 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.811 4.710 5.035 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -3.268 8.191 5.815 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.653 8.461 6.265 1.00 0.00 H -ATOM 248 N GLU A 15 -1.966 7.435 2.371 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.795 7.594 1.454 1.00 0.00 C -ATOM 250 C GLU A 15 0.470 7.045 2.119 1.00 0.00 C -ATOM 251 O GLU A 15 1.200 6.265 1.538 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.669 9.107 1.212 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.732 9.398 -0.291 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.799 10.910 -0.515 1.00 0.00 C -ATOM 255 OE1 GLU A 15 0.027 11.610 0.047 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -1.676 11.342 -1.245 1.00 0.00 O -ATOM 257 H GLU A 15 -2.424 8.227 2.727 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.979 7.082 0.521 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.478 9.622 1.710 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.273 9.459 1.604 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.151 9.001 -0.771 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -1.611 8.934 -0.711 1.00 0.00 H -ATOM 263 N LYS A 16 0.736 7.454 3.336 1.00 0.00 N -ATOM 264 CA LYS A 16 1.955 6.969 4.057 1.00 0.00 C -ATOM 265 C LYS A 16 1.999 5.444 4.087 1.00 0.00 C -ATOM 266 O LYS A 16 3.014 4.830 3.818 1.00 0.00 O -ATOM 267 CB LYS A 16 1.826 7.520 5.478 1.00 0.00 C -ATOM 268 CG LYS A 16 2.604 8.834 5.591 1.00 0.00 C -ATOM 269 CD LYS A 16 2.541 9.344 7.032 1.00 0.00 C -ATOM 270 CE LYS A 16 2.686 10.868 7.040 1.00 0.00 C -ATOM 271 NZ LYS A 16 2.200 11.292 8.382 1.00 0.00 N -ATOM 272 H LYS A 16 0.133 8.086 3.774 1.00 0.00 H -ATOM 273 HA LYS A 16 2.832 7.357 3.593 1.00 0.00 H -ATOM 274 HB2 LYS A 16 0.782 7.694 5.699 1.00 0.00 H -ATOM 275 HB3 LYS A 16 2.227 6.803 6.179 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.635 8.667 5.312 1.00 0.00 H -ATOM 277 HG3 LYS A 16 2.168 9.569 4.932 1.00 0.00 H -ATOM 278 HD2 LYS A 16 1.592 9.069 7.470 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.344 8.904 7.605 1.00 0.00 H -ATOM 280 HE2 LYS A 16 3.723 11.145 6.907 1.00 0.00 H -ATOM 281 HE3 LYS A 16 2.075 11.308 6.269 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 2.727 10.784 9.119 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 1.188 11.072 8.469 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 2.344 12.317 8.495 1.00 0.00 H -ATOM 285 N GLU A 17 0.897 4.842 4.414 1.00 0.00 N -ATOM 286 CA GLU A 17 0.825 3.345 4.477 1.00 0.00 C -ATOM 287 C GLU A 17 1.292 2.722 3.161 1.00 0.00 C -ATOM 288 O GLU A 17 2.305 2.051 3.096 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.659 3.017 4.678 1.00 0.00 C -ATOM 290 CG GLU A 17 -1.004 2.942 6.163 1.00 0.00 C -ATOM 291 CD GLU A 17 -0.190 1.832 6.835 1.00 0.00 C -ATOM 292 OE1 GLU A 17 -0.050 0.780 6.233 1.00 0.00 O -ATOM 293 OE2 GLU A 17 0.281 2.055 7.938 1.00 0.00 O -ATOM 294 H GLU A 17 0.111 5.382 4.625 1.00 0.00 H -ATOM 295 HA GLU A 17 1.405 2.969 5.304 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.259 3.784 4.211 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.877 2.067 4.214 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.787 3.889 6.632 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -2.056 2.721 6.263 1.00 0.00 H -ATOM 300 N LEU A 18 0.531 2.926 2.120 1.00 0.00 N -ATOM 301 CA LEU A 18 0.876 2.337 0.795 1.00 0.00 C -ATOM 302 C LEU A 18 2.279 2.750 0.345 1.00 0.00 C -ATOM 303 O LEU A 18 3.064 1.917 -0.057 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.190 2.871 -0.164 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.119 2.116 -1.491 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.587 0.669 -1.290 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.019 2.809 -2.523 1.00 0.00 C -ATOM 308 H LEU A 18 -0.287 3.453 2.220 1.00 0.00 H -ATOM 309 HA LEU A 18 0.813 1.266 0.850 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.168 2.736 0.275 1.00 0.00 H -ATOM 311 HB3 LEU A 18 -0.020 3.922 -0.342 1.00 0.00 H -ATOM 312 HG LEU A 18 0.898 2.117 -1.844 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.285 0.316 -0.321 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.147 0.037 -2.048 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.662 0.626 -1.366 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -1.928 2.240 -2.653 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -0.497 2.872 -3.466 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.263 3.804 -2.183 1.00 0.00 H -ATOM 319 N ARG A 19 2.613 4.017 0.410 1.00 0.00 N -ATOM 320 CA ARG A 19 3.986 4.446 -0.024 1.00 0.00 C -ATOM 321 C ARG A 19 5.048 3.621 0.716 1.00 0.00 C -ATOM 322 O ARG A 19 6.092 3.306 0.177 1.00 0.00 O -ATOM 323 CB ARG A 19 4.090 5.925 0.344 1.00 0.00 C -ATOM 324 CG ARG A 19 3.295 6.760 -0.660 1.00 0.00 C -ATOM 325 CD ARG A 19 3.836 8.191 -0.678 1.00 0.00 C -ATOM 326 NE ARG A 19 5.160 8.093 -1.355 1.00 0.00 N -ATOM 327 CZ ARG A 19 5.286 8.470 -2.597 1.00 0.00 C -ATOM 328 NH1 ARG A 19 5.314 9.741 -2.894 1.00 0.00 N -ATOM 329 NH2 ARG A 19 5.382 7.577 -3.544 1.00 0.00 N -ATOM 330 H ARG A 19 1.971 4.679 0.740 1.00 0.00 H -ATOM 331 HA ARG A 19 4.091 4.317 -1.094 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.694 6.078 1.336 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.126 6.227 0.318 1.00 0.00 H -ATOM 334 HG2 ARG A 19 3.392 6.326 -1.646 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.254 6.774 -0.373 1.00 0.00 H -ATOM 336 HD2 ARG A 19 3.172 8.837 -1.236 1.00 0.00 H -ATOM 337 HD3 ARG A 19 3.962 8.557 0.329 1.00 0.00 H -ATOM 338 HE ARG A 19 5.936 7.747 -0.867 1.00 0.00 H -ATOM 339 HH11 ARG A 19 5.240 10.425 -2.169 1.00 0.00 H -ATOM 340 HH12 ARG A 19 5.410 10.030 -3.847 1.00 0.00 H -ATOM 341 HH21 ARG A 19 5.360 6.603 -3.317 1.00 0.00 H -ATOM 342 HH22 ARG A 19 5.478 7.867 -4.496 1.00 0.00 H -ATOM 343 N ASP A 20 4.759 3.235 1.935 1.00 0.00 N -ATOM 344 CA ASP A 20 5.717 2.387 2.704 1.00 0.00 C -ATOM 345 C ASP A 20 5.607 0.958 2.174 1.00 0.00 C -ATOM 346 O ASP A 20 6.589 0.267 1.982 1.00 0.00 O -ATOM 347 CB ASP A 20 5.252 2.468 4.160 1.00 0.00 C -ATOM 348 CG ASP A 20 6.000 3.596 4.872 1.00 0.00 C -ATOM 349 OD1 ASP A 20 6.072 4.679 4.314 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.489 3.358 5.965 1.00 0.00 O -ATOM 351 H ASP A 20 3.895 3.476 2.330 1.00 0.00 H -ATOM 352 HA ASP A 20 6.725 2.759 2.604 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.188 2.666 4.188 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.457 1.532 4.656 1.00 0.00 H -ATOM 355 N PHE A 21 4.400 0.536 1.904 1.00 0.00 N -ATOM 356 CA PHE A 21 4.168 -0.829 1.341 1.00 0.00 C -ATOM 357 C PHE A 21 4.855 -0.937 -0.023 1.00 0.00 C -ATOM 358 O PHE A 21 5.720 -1.760 -0.252 1.00 0.00 O -ATOM 359 CB PHE A 21 2.649 -0.911 1.139 1.00 0.00 C -ATOM 360 CG PHE A 21 2.330 -2.154 0.357 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.325 -3.376 1.013 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.070 -2.080 -1.021 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.050 -4.551 0.307 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.794 -3.255 -1.732 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.782 -4.490 -1.067 1.00 0.00 C -ATOM 366 H PHE A 21 3.639 1.139 2.049 1.00 0.00 H -ATOM 367 HA PHE A 21 4.493 -1.609 2.017 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.164 -0.950 2.095 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.299 -0.047 0.600 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.548 -3.407 2.071 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.086 -1.117 -1.536 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.040 -5.502 0.819 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.597 -3.211 -2.791 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.571 -5.396 -1.616 1.00 0.00 H -ATOM 375 N ILE A 22 4.421 -0.098 -0.924 1.00 0.00 N -ATOM 376 CA ILE A 22 4.957 -0.077 -2.326 1.00 0.00 C -ATOM 377 C ILE A 22 6.490 -0.149 -2.310 1.00 0.00 C -ATOM 378 O ILE A 22 7.110 -0.686 -3.209 1.00 0.00 O -ATOM 379 CB ILE A 22 4.478 1.266 -2.891 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.938 1.275 -2.956 1.00 0.00 C -ATOM 381 CG2 ILE A 22 5.053 1.483 -4.294 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.428 0.248 -3.965 1.00 0.00 C -ATOM 383 H ILE A 22 3.717 0.525 -0.667 1.00 0.00 H -ATOM 384 HA ILE A 22 4.534 -0.888 -2.906 1.00 0.00 H -ATOM 385 HB ILE A 22 4.813 2.064 -2.243 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.532 1.028 -1.991 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.597 2.257 -3.247 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.750 2.450 -4.663 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.677 0.710 -4.949 1.00 0.00 H -ATOM 390 HG23 ILE A 22 6.131 1.430 -4.254 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.877 -0.517 -3.442 1.00 0.00 H -ATOM 392 HD12 ILE A 22 3.260 -0.197 -4.486 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.780 0.741 -4.672 1.00 0.00 H -ATOM 394 N GLU A 23 7.088 0.386 -1.281 1.00 0.00 N -ATOM 395 CA GLU A 23 8.578 0.353 -1.174 1.00 0.00 C -ATOM 396 C GLU A 23 9.049 -1.084 -0.947 1.00 0.00 C -ATOM 397 O GLU A 23 9.949 -1.563 -1.611 1.00 0.00 O -ATOM 398 CB GLU A 23 8.917 1.229 0.034 1.00 0.00 C -ATOM 399 CG GLU A 23 10.428 1.460 0.094 1.00 0.00 C -ATOM 400 CD GLU A 23 10.772 2.776 -0.607 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.774 3.797 0.061 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.029 2.741 -1.799 1.00 0.00 O -ATOM 403 H GLU A 23 6.549 0.804 -0.573 1.00 0.00 H -ATOM 404 HA GLU A 23 9.029 0.760 -2.065 1.00 0.00 H -ATOM 405 HB2 GLU A 23 8.410 2.179 -0.058 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.595 0.736 0.938 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.745 1.506 1.125 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.936 0.647 -0.403 1.00 0.00 H -ATOM 409 N LYS A 24 8.438 -1.777 -0.020 1.00 0.00 N -ATOM 410 CA LYS A 24 8.837 -3.192 0.246 1.00 0.00 C -ATOM 411 C LYS A 24 8.428 -4.069 -0.940 1.00 0.00 C -ATOM 412 O LYS A 24 9.229 -4.804 -1.487 1.00 0.00 O -ATOM 413 CB LYS A 24 8.069 -3.599 1.507 1.00 0.00 C -ATOM 414 CG LYS A 24 8.844 -4.689 2.259 1.00 0.00 C -ATOM 415 CD LYS A 24 9.566 -4.075 3.461 1.00 0.00 C -ATOM 416 CE LYS A 24 10.641 -5.044 3.960 1.00 0.00 C -ATOM 417 NZ LYS A 24 11.052 -4.512 5.289 1.00 0.00 N -ATOM 418 H LYS A 24 7.710 -1.368 0.493 1.00 0.00 H -ATOM 419 HA LYS A 24 9.899 -3.260 0.419 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.946 -2.737 2.145 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.099 -3.980 1.227 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.153 -5.445 2.604 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.568 -5.141 1.598 1.00 0.00 H -ATOM 424 HD2 LYS A 24 10.029 -3.144 3.164 1.00 0.00 H -ATOM 425 HD3 LYS A 24 8.857 -3.890 4.252 1.00 0.00 H -ATOM 426 HE2 LYS A 24 10.230 -6.040 4.061 1.00 0.00 H -ATOM 427 HE3 LYS A 24 11.485 -5.049 3.287 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 10.275 -4.636 5.968 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 11.278 -3.499 5.201 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 11.889 -5.026 5.626 1.00 0.00 H -ATOM 431 N PHE A 25 7.184 -3.990 -1.336 1.00 0.00 N -ATOM 432 CA PHE A 25 6.702 -4.802 -2.480 1.00 0.00 C -ATOM 433 C PHE A 25 6.826 -4.006 -3.787 1.00 0.00 C -ATOM 434 O PHE A 25 5.839 -3.656 -4.406 1.00 0.00 O -ATOM 435 CB PHE A 25 5.235 -5.096 -2.158 1.00 0.00 C -ATOM 436 CG PHE A 25 4.646 -5.985 -3.225 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.197 -7.250 -3.468 1.00 0.00 C -ATOM 438 CD2 PHE A 25 3.547 -5.544 -3.970 1.00 0.00 C -ATOM 439 CE1 PHE A 25 4.646 -8.073 -4.457 1.00 0.00 C -ATOM 440 CE2 PHE A 25 2.997 -6.367 -4.959 1.00 0.00 C -ATOM 441 CZ PHE A 25 3.546 -7.631 -5.203 1.00 0.00 C -ATOM 442 H PHE A 25 6.567 -3.395 -0.881 1.00 0.00 H -ATOM 443 HA PHE A 25 7.255 -5.714 -2.538 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.171 -5.593 -1.202 1.00 0.00 H -ATOM 445 HB3 PHE A 25 4.682 -4.170 -2.120 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.045 -7.589 -2.893 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.125 -4.569 -3.780 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.069 -9.048 -4.645 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.149 -6.027 -5.534 1.00 0.00 H -ATOM 450 HZ PHE A 25 3.121 -8.266 -5.966 1.00 0.00 H -ATOM 451 N LYS A 26 8.035 -3.716 -4.208 1.00 0.00 N -ATOM 452 CA LYS A 26 8.237 -2.937 -5.475 1.00 0.00 C -ATOM 453 C LYS A 26 7.484 -3.583 -6.639 1.00 0.00 C -ATOM 454 O LYS A 26 6.763 -2.930 -7.371 1.00 0.00 O -ATOM 455 CB LYS A 26 9.744 -2.977 -5.738 1.00 0.00 C -ATOM 456 CG LYS A 26 10.467 -2.066 -4.744 1.00 0.00 C -ATOM 457 CD LYS A 26 11.948 -2.445 -4.695 1.00 0.00 C -ATOM 458 CE LYS A 26 12.610 -1.785 -3.481 1.00 0.00 C -ATOM 459 NZ LYS A 26 13.467 -2.850 -2.885 1.00 0.00 N -ATOM 460 H LYS A 26 8.812 -4.006 -3.685 1.00 0.00 H -ATOM 461 HA LYS A 26 7.916 -1.928 -5.345 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.101 -3.990 -5.622 1.00 0.00 H -ATOM 463 HB3 LYS A 26 9.942 -2.638 -6.743 1.00 0.00 H -ATOM 464 HG2 LYS A 26 10.366 -1.037 -5.059 1.00 0.00 H -ATOM 465 HG3 LYS A 26 10.034 -2.187 -3.763 1.00 0.00 H -ATOM 466 HD2 LYS A 26 12.041 -3.518 -4.618 1.00 0.00 H -ATOM 467 HD3 LYS A 26 12.436 -2.105 -5.597 1.00 0.00 H -ATOM 468 HE2 LYS A 26 13.215 -0.945 -3.796 1.00 0.00 H -ATOM 469 HE3 LYS A 26 11.865 -1.469 -2.770 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 12.878 -3.668 -2.633 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 13.931 -2.483 -2.031 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 14.188 -3.141 -3.577 1.00 0.00 H -ATOM 473 N GLY A 27 7.657 -4.858 -6.803 1.00 0.00 N -ATOM 474 CA GLY A 27 6.968 -5.585 -7.908 1.00 0.00 C -ATOM 475 C GLY A 27 7.975 -6.466 -8.651 1.00 0.00 C -ATOM 476 O GLY A 27 7.709 -7.617 -8.938 1.00 0.00 O -ATOM 477 H GLY A 27 8.242 -5.339 -6.191 1.00 0.00 H -ATOM 478 HA2 GLY A 27 6.185 -6.203 -7.494 1.00 0.00 H -ATOM 479 HA3 GLY A 27 6.541 -4.872 -8.596 1.00 0.00 H -ATOM 480 N ARG A 28 9.129 -5.930 -8.963 1.00 0.00 N -ATOM 481 CA ARG A 28 10.160 -6.732 -9.689 1.00 0.00 C -ATOM 482 C ARG A 28 10.920 -7.630 -8.708 1.00 0.00 C -ATOM 483 O ARG A 28 10.376 -7.918 -7.655 1.00 0.00 O -ATOM 484 CB ARG A 28 11.102 -5.701 -10.314 1.00 0.00 C -ATOM 485 CG ARG A 28 12.005 -6.389 -11.341 1.00 0.00 C -ATOM 486 CD ARG A 28 12.439 -5.374 -12.403 1.00 0.00 C -ATOM 487 NE ARG A 28 13.713 -5.914 -12.962 1.00 0.00 N -ATOM 488 CZ ARG A 28 14.393 -5.213 -13.829 1.00 0.00 C -ATOM 489 NH1 ARG A 28 14.556 -3.930 -13.647 1.00 0.00 N -ATOM 490 NH2 ARG A 28 14.908 -5.794 -14.878 1.00 0.00 N -ATOM 491 OXT ARG A 28 12.035 -8.011 -9.027 1.00 0.00 O -ATOM 492 H ARG A 28 9.316 -5.000 -8.719 1.00 0.00 H -ATOM 493 HA ARG A 28 9.700 -7.327 -10.462 1.00 0.00 H -ATOM 494 HB2 ARG A 28 10.521 -4.932 -10.802 1.00 0.00 H -ATOM 495 HB3 ARG A 28 11.712 -5.257 -9.542 1.00 0.00 H -ATOM 496 HG2 ARG A 28 12.878 -6.787 -10.843 1.00 0.00 H -ATOM 497 HG3 ARG A 28 11.463 -7.193 -11.814 1.00 0.00 H -ATOM 498 HD2 ARG A 28 11.689 -5.300 -13.177 1.00 0.00 H -ATOM 499 HD3 ARG A 28 12.614 -4.410 -11.953 1.00 0.00 H -ATOM 500 HE ARG A 28 14.042 -6.794 -12.681 1.00 0.00 H -ATOM 501 HH11 ARG A 28 14.160 -3.485 -12.844 1.00 0.00 H -ATOM 502 HH12 ARG A 28 15.077 -3.393 -14.311 1.00 0.00 H -ATOM 503 HH21 ARG A 28 14.783 -6.777 -15.016 1.00 0.00 H -ATOM 504 HH22 ARG A 28 15.428 -5.258 -15.541 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 19 -ATOM 1 N GLU A 1 -13.236 9.507 5.336 1.00 0.00 N -ATOM 2 CA GLU A 1 -13.255 8.424 4.311 1.00 0.00 C -ATOM 3 C GLU A 1 -11.982 8.475 3.464 1.00 0.00 C -ATOM 4 O GLU A 1 -11.635 9.502 2.911 1.00 0.00 O -ATOM 5 CB GLU A 1 -14.484 8.719 3.451 1.00 0.00 C -ATOM 6 CG GLU A 1 -15.744 8.267 4.189 1.00 0.00 C -ATOM 7 CD GLU A 1 -16.910 9.185 3.818 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -17.243 9.243 2.646 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -17.450 9.815 4.712 1.00 0.00 O -ATOM 10 H1 GLU A 1 -13.327 10.431 4.868 1.00 0.00 H -ATOM 11 H2 GLU A 1 -12.338 9.471 5.862 1.00 0.00 H -ATOM 12 H3 GLU A 1 -14.030 9.375 5.995 1.00 0.00 H -ATOM 13 HA GLU A 1 -13.358 7.460 4.782 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -14.539 9.781 3.255 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -14.405 8.185 2.515 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -15.981 7.251 3.909 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -15.575 8.318 5.254 1.00 0.00 H -ATOM 18 N GLN A 2 -11.284 7.372 3.361 1.00 0.00 N -ATOM 19 CA GLN A 2 -10.030 7.345 2.550 1.00 0.00 C -ATOM 20 C GLN A 2 -10.243 6.515 1.280 1.00 0.00 C -ATOM 21 O GLN A 2 -11.333 6.047 1.012 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.985 6.690 3.458 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.664 7.456 3.357 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.660 8.605 4.367 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -7.921 8.403 5.537 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -7.375 9.812 3.962 1.00 0.00 N -ATOM 27 H GLN A 2 -11.587 6.559 3.817 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.725 8.348 2.298 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -9.335 6.708 4.480 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -8.830 5.667 3.149 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -6.844 6.786 3.571 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.553 7.855 2.361 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -7.166 9.977 3.020 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -7.370 10.555 4.602 1.00 0.00 H -ATOM 35 N TYR A 3 -9.209 6.335 0.497 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.345 5.541 -0.759 1.00 0.00 C -ATOM 37 C TYR A 3 -9.297 4.037 -0.457 1.00 0.00 C -ATOM 38 O TYR A 3 -9.305 3.626 0.689 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.167 5.985 -1.639 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.861 5.531 -1.035 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.426 4.220 -1.235 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.094 6.416 -0.275 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.229 3.792 -0.678 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.890 5.988 0.286 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.454 4.673 0.085 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.264 4.246 0.636 1.00 0.00 O -ATOM 47 H TYR A 3 -8.344 6.727 0.735 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.262 5.784 -1.247 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.273 5.557 -2.624 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.168 7.062 -1.714 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -7.017 3.532 -1.819 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.432 7.429 -0.119 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.907 2.781 -0.838 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.299 6.671 0.872 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.561 4.800 0.291 1.00 0.00 H -ATOM 56 N THR A 4 -9.242 3.219 -1.478 1.00 0.00 N -ATOM 57 CA THR A 4 -9.185 1.743 -1.256 1.00 0.00 C -ATOM 58 C THR A 4 -7.806 1.180 -1.636 1.00 0.00 C -ATOM 59 O THR A 4 -7.000 0.905 -0.787 1.00 0.00 O -ATOM 60 CB THR A 4 -10.278 1.136 -2.148 1.00 0.00 C -ATOM 61 OG1 THR A 4 -10.512 1.969 -3.277 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.568 0.991 -1.339 1.00 0.00 C -ATOM 63 H THR A 4 -9.231 3.576 -2.389 1.00 0.00 H -ATOM 64 HA THR A 4 -9.398 1.519 -0.222 1.00 0.00 H -ATOM 65 HB THR A 4 -9.963 0.161 -2.483 1.00 0.00 H -ATOM 66 HG1 THR A 4 -10.949 1.442 -3.949 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.348 0.513 -0.396 1.00 0.00 H -ATOM 68 HG22 THR A 4 -12.274 0.389 -1.892 1.00 0.00 H -ATOM 69 HG23 THR A 4 -11.992 1.968 -1.159 1.00 0.00 H -ATOM 70 N ALA A 5 -7.542 1.009 -2.908 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.229 0.447 -3.374 1.00 0.00 C -ATOM 72 C ALA A 5 -5.941 -0.894 -2.714 1.00 0.00 C -ATOM 73 O ALA A 5 -5.646 -0.963 -1.542 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.165 1.444 -2.971 1.00 0.00 C -ATOM 75 H ALA A 5 -8.208 1.248 -3.564 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.235 0.336 -4.447 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.637 2.364 -2.675 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.515 1.620 -3.812 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.588 1.038 -2.145 1.00 0.00 H -ATOM 80 N LYS A 6 -5.987 -1.941 -3.471 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.695 -3.293 -2.903 1.00 0.00 C -ATOM 82 C LYS A 6 -4.392 -3.844 -3.473 1.00 0.00 C -ATOM 83 O LYS A 6 -4.100 -3.706 -4.645 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.871 -4.191 -3.289 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.096 -4.147 -4.802 1.00 0.00 C -ATOM 86 CD LYS A 6 -8.082 -5.247 -5.204 1.00 0.00 C -ATOM 87 CE LYS A 6 -7.720 -5.778 -6.592 1.00 0.00 C -ATOM 88 NZ LYS A 6 -8.743 -6.820 -6.883 1.00 0.00 N -ATOM 89 H LYS A 6 -6.192 -1.836 -4.419 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.626 -3.231 -1.829 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.649 -5.204 -2.988 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.762 -3.852 -2.783 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.500 -3.184 -5.074 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.157 -4.303 -5.311 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -8.033 -6.054 -4.486 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -9.082 -4.844 -5.224 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -7.771 -4.981 -7.323 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -6.736 -6.218 -6.582 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -9.693 -6.401 -6.819 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -8.660 -7.591 -6.191 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -8.592 -7.194 -7.842 1.00 0.00 H -ATOM 102 N TYR A 7 -3.609 -4.466 -2.636 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.309 -5.038 -3.090 1.00 0.00 C -ATOM 104 C TYR A 7 -2.190 -6.482 -2.604 1.00 0.00 C -ATOM 105 O TYR A 7 -2.175 -6.747 -1.418 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.237 -4.164 -2.450 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.277 -2.811 -3.079 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.281 -1.910 -2.725 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.306 -2.462 -4.007 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.319 -0.645 -3.307 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.327 -1.200 -4.595 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.336 -0.282 -4.247 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.364 0.969 -4.827 1.00 0.00 O -ATOM 114 H TYR A 7 -3.881 -4.557 -1.700 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.229 -4.984 -4.165 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.415 -4.071 -1.398 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.268 -4.599 -2.614 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -3.032 -2.197 -2.005 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.460 -3.174 -4.274 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -3.097 0.056 -3.019 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.436 -0.934 -5.308 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.948 0.931 -5.588 1.00 0.00 H -ATOM 123 N LYS A 8 -2.114 -7.417 -3.515 1.00 0.00 N -ATOM 124 CA LYS A 8 -2.004 -8.863 -3.128 1.00 0.00 C -ATOM 125 C LYS A 8 -3.134 -9.265 -2.165 1.00 0.00 C -ATOM 126 O LYS A 8 -3.015 -10.229 -1.432 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.638 -9.005 -2.446 1.00 0.00 C -ATOM 128 CG LYS A 8 0.473 -8.809 -3.479 1.00 0.00 C -ATOM 129 CD LYS A 8 0.425 -9.945 -4.503 1.00 0.00 C -ATOM 130 CE LYS A 8 1.795 -10.084 -5.173 1.00 0.00 C -ATOM 131 NZ LYS A 8 2.591 -10.929 -4.240 1.00 0.00 N -ATOM 132 H LYS A 8 -2.134 -7.167 -4.463 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.033 -9.483 -4.009 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.545 -8.259 -1.670 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.554 -9.989 -2.011 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.335 -7.863 -3.981 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.431 -8.815 -2.982 1.00 0.00 H -ATOM 138 HD2 LYS A 8 0.170 -10.869 -4.005 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -0.318 -9.722 -5.254 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.695 -10.570 -6.133 1.00 0.00 H -ATOM 141 HE3 LYS A 8 2.260 -9.117 -5.284 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 2.048 -11.783 -3.997 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 2.798 -10.391 -3.375 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 3.484 -11.204 -4.696 1.00 0.00 H -ATOM 145 N GLY A 9 -4.230 -8.543 -2.173 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.372 -8.892 -1.270 1.00 0.00 C -ATOM 147 C GLY A 9 -5.346 -8.025 -0.006 1.00 0.00 C -ATOM 148 O GLY A 9 -5.661 -8.489 1.073 1.00 0.00 O -ATOM 149 H GLY A 9 -4.307 -7.778 -2.779 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.301 -8.732 -1.795 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.296 -9.932 -0.988 1.00 0.00 H -ATOM 152 N ARG A 10 -4.979 -6.773 -0.129 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.938 -5.878 1.072 1.00 0.00 C -ATOM 154 C ARG A 10 -5.267 -4.438 0.674 1.00 0.00 C -ATOM 155 O ARG A 10 -4.483 -3.785 0.009 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.499 -5.959 1.585 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.163 -7.408 1.943 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.828 -7.451 2.685 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.928 -8.634 3.586 1.00 0.00 N -ATOM 160 CZ ARG A 10 -2.493 -8.515 4.756 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -1.784 -8.153 5.790 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -3.768 -8.760 4.895 1.00 0.00 N -ATOM 163 H ARG A 10 -4.726 -6.421 -1.007 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.621 -6.227 1.829 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.823 -5.608 0.817 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.397 -5.341 2.463 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.941 -7.812 2.574 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -3.090 -7.994 1.040 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.017 -7.576 1.982 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.693 -6.553 3.265 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.569 -9.500 3.299 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -0.807 -7.965 5.684 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -2.216 -8.064 6.686 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -4.312 -9.038 4.103 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -4.200 -8.669 5.792 1.00 0.00 H -ATOM 176 N THR A 11 -6.411 -3.932 1.074 1.00 0.00 N -ATOM 177 CA THR A 11 -6.764 -2.530 0.709 1.00 0.00 C -ATOM 178 C THR A 11 -5.878 -1.546 1.483 1.00 0.00 C -ATOM 179 O THR A 11 -5.218 -1.910 2.437 1.00 0.00 O -ATOM 180 CB THR A 11 -8.233 -2.334 1.092 1.00 0.00 C -ATOM 181 OG1 THR A 11 -9.006 -3.404 0.567 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.728 -1.004 0.509 1.00 0.00 C -ATOM 183 H THR A 11 -7.027 -4.473 1.613 1.00 0.00 H -ATOM 184 HA THR A 11 -6.647 -2.392 -0.351 1.00 0.00 H -ATOM 185 HB THR A 11 -8.328 -2.308 2.165 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.922 -3.390 -0.389 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.800 -0.937 0.622 1.00 0.00 H -ATOM 188 HG22 THR A 11 -8.474 -0.952 -0.540 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.259 -0.181 1.030 1.00 0.00 H -ATOM 190 N PHE A 12 -5.866 -0.306 1.074 1.00 0.00 N -ATOM 191 CA PHE A 12 -5.034 0.720 1.766 1.00 0.00 C -ATOM 192 C PHE A 12 -5.870 1.961 2.085 1.00 0.00 C -ATOM 193 O PHE A 12 -6.620 2.445 1.260 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.918 1.058 0.776 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.829 0.043 0.939 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.961 -1.179 0.294 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.700 0.312 1.727 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.970 -2.152 0.433 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.699 -0.661 1.862 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.838 -1.896 1.218 1.00 0.00 C -ATOM 201 H PHE A 12 -6.409 -0.047 0.301 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.609 0.311 2.670 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.299 1.009 -0.245 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.531 2.044 0.979 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.831 -1.364 -0.325 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.602 1.265 2.229 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.084 -3.105 -0.049 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.183 -0.458 2.454 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.070 -2.648 1.320 1.00 0.00 H -ATOM 210 N ARG A 13 -5.738 2.476 3.280 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.515 3.690 3.671 1.00 0.00 C -ATOM 212 C ARG A 13 -5.565 4.752 4.230 1.00 0.00 C -ATOM 213 O ARG A 13 -5.858 5.404 5.214 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.499 3.212 4.746 1.00 0.00 C -ATOM 215 CG ARG A 13 -6.735 2.607 5.928 1.00 0.00 C -ATOM 216 CD ARG A 13 -7.728 2.176 7.009 1.00 0.00 C -ATOM 217 NE ARG A 13 -6.893 1.547 8.069 1.00 0.00 N -ATOM 218 CZ ARG A 13 -7.101 0.305 8.410 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -8.308 -0.100 8.697 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -6.102 -0.532 8.465 1.00 0.00 N -ATOM 221 H ARG A 13 -5.124 2.065 3.922 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.056 4.079 2.822 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.088 4.050 5.089 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.153 2.464 4.323 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -6.171 1.748 5.592 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -6.060 3.343 6.336 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -8.252 3.038 7.401 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -8.428 1.457 6.613 1.00 0.00 H -ATOM 229 HE ARG A 13 -6.188 2.065 8.510 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -9.074 0.542 8.654 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -8.467 -1.052 8.958 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -5.177 -0.221 8.246 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -6.261 -1.484 8.727 1.00 0.00 H -ATOM 234 N ASN A 14 -4.427 4.924 3.605 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.440 5.937 4.085 1.00 0.00 C -ATOM 236 C ASN A 14 -2.316 6.094 3.057 1.00 0.00 C -ATOM 237 O ASN A 14 -1.852 5.130 2.478 1.00 0.00 O -ATOM 238 CB ASN A 14 -2.899 5.377 5.407 1.00 0.00 C -ATOM 239 CG ASN A 14 -1.818 6.300 5.966 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -0.662 5.933 6.040 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.154 7.490 6.365 1.00 0.00 N -ATOM 242 H ASN A 14 -4.222 4.382 2.814 1.00 0.00 H -ATOM 243 HA ASN A 14 -3.928 6.884 4.258 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.707 5.312 6.121 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.483 4.395 5.241 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -3.088 7.776 6.302 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.475 8.098 6.726 1.00 0.00 H -ATOM 248 N GLU A 15 -1.882 7.305 2.831 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.789 7.544 1.840 1.00 0.00 C -ATOM 250 C GLU A 15 0.531 6.951 2.345 1.00 0.00 C -ATOM 251 O GLU A 15 1.216 6.245 1.630 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.685 9.067 1.723 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.488 9.458 0.258 1.00 0.00 C -ATOM 254 CD GLU A 15 -1.055 10.859 0.023 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -2.268 10.992 0.013 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -0.267 11.776 -0.144 1.00 0.00 O -ATOM 257 H GLU A 15 -2.278 8.060 3.314 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.051 7.118 0.883 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.595 9.516 2.098 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.155 9.415 2.305 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.566 9.451 0.022 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -1.004 8.753 -0.375 1.00 0.00 H -ATOM 263 N LYS A 16 0.896 7.241 3.570 1.00 0.00 N -ATOM 264 CA LYS A 16 2.178 6.709 4.134 1.00 0.00 C -ATOM 265 C LYS A 16 2.251 5.189 3.990 1.00 0.00 C -ATOM 266 O LYS A 16 3.281 4.630 3.660 1.00 0.00 O -ATOM 267 CB LYS A 16 2.164 7.099 5.614 1.00 0.00 C -ATOM 268 CG LYS A 16 3.587 7.023 6.188 1.00 0.00 C -ATOM 269 CD LYS A 16 3.580 6.219 7.494 1.00 0.00 C -ATOM 270 CE LYS A 16 4.802 6.593 8.342 1.00 0.00 C -ATOM 271 NZ LYS A 16 5.683 5.392 8.308 1.00 0.00 N -ATOM 272 H LYS A 16 0.329 7.818 4.119 1.00 0.00 H -ATOM 273 HA LYS A 16 3.007 7.166 3.645 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.789 8.108 5.714 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.519 6.423 6.156 1.00 0.00 H -ATOM 276 HG2 LYS A 16 4.241 6.540 5.475 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.947 8.020 6.386 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.677 6.441 8.045 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.610 5.164 7.266 1.00 0.00 H -ATOM 280 HE2 LYS A 16 5.312 7.447 7.914 1.00 0.00 H -ATOM 281 HE3 LYS A 16 4.504 6.804 9.357 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 6.593 5.616 8.761 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 5.847 5.107 7.321 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 5.225 4.610 8.820 1.00 0.00 H -ATOM 285 N GLU A 17 1.162 4.531 4.242 1.00 0.00 N -ATOM 286 CA GLU A 17 1.130 3.040 4.134 1.00 0.00 C -ATOM 287 C GLU A 17 1.438 2.606 2.700 1.00 0.00 C -ATOM 288 O GLU A 17 2.354 1.845 2.452 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.299 2.640 4.507 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.459 2.650 6.026 1.00 0.00 C -ATOM 291 CD GLU A 17 0.418 1.557 6.639 1.00 0.00 C -ATOM 292 OE1 GLU A 17 -0.023 0.420 6.670 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.515 1.876 7.067 1.00 0.00 O -ATOM 294 H GLU A 17 0.362 5.024 4.505 1.00 0.00 H -ATOM 295 HA GLU A 17 1.831 2.594 4.823 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -0.994 3.341 4.067 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.505 1.648 4.132 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.161 3.614 6.412 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.492 2.464 6.278 1.00 0.00 H -ATOM 300 N LEU A 18 0.666 3.081 1.761 1.00 0.00 N -ATOM 301 CA LEU A 18 0.886 2.700 0.333 1.00 0.00 C -ATOM 302 C LEU A 18 2.239 3.215 -0.159 1.00 0.00 C -ATOM 303 O LEU A 18 2.970 2.504 -0.825 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.270 3.355 -0.434 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.574 2.565 -1.710 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -1.020 1.136 -1.357 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.692 3.270 -2.481 1.00 0.00 C -ATOM 308 H LEU A 18 -0.068 3.685 1.999 1.00 0.00 H -ATOM 309 HA LEU A 18 0.845 1.633 0.227 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.149 3.372 0.194 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.002 4.366 -0.696 1.00 0.00 H -ATOM 312 HG LEU A 18 0.310 2.529 -2.320 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.744 0.910 -0.351 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.543 0.429 -2.014 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -2.091 1.049 -1.460 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.589 3.288 -1.880 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.887 2.737 -3.400 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.391 4.282 -2.709 1.00 0.00 H -ATOM 319 N ARG A 19 2.586 4.433 0.167 1.00 0.00 N -ATOM 320 CA ARG A 19 3.906 4.977 -0.282 1.00 0.00 C -ATOM 321 C ARG A 19 5.049 4.137 0.302 1.00 0.00 C -ATOM 322 O ARG A 19 6.153 4.143 -0.210 1.00 0.00 O -ATOM 323 CB ARG A 19 3.962 6.409 0.249 1.00 0.00 C -ATOM 324 CG ARG A 19 3.079 7.307 -0.618 1.00 0.00 C -ATOM 325 CD ARG A 19 3.912 7.893 -1.761 1.00 0.00 C -ATOM 326 NE ARG A 19 2.938 8.137 -2.861 1.00 0.00 N -ATOM 327 CZ ARG A 19 2.217 9.225 -2.864 1.00 0.00 C -ATOM 328 NH1 ARG A 19 2.717 10.337 -3.328 1.00 0.00 N -ATOM 329 NH2 ARG A 19 0.996 9.200 -2.403 1.00 0.00 N -ATOM 330 H ARG A 19 1.986 4.985 0.712 1.00 0.00 H -ATOM 331 HA ARG A 19 3.959 4.981 -1.358 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.608 6.428 1.269 1.00 0.00 H -ATOM 333 HB3 ARG A 19 4.979 6.764 0.212 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.266 6.725 -1.027 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.680 8.111 -0.018 1.00 0.00 H -ATOM 336 HD2 ARG A 19 4.374 8.820 -1.451 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.662 7.186 -2.081 1.00 0.00 H -ATOM 338 HE ARG A 19 2.837 7.481 -3.581 1.00 0.00 H -ATOM 339 HH11 ARG A 19 3.654 10.356 -3.681 1.00 0.00 H -ATOM 340 HH12 ARG A 19 2.165 11.171 -3.331 1.00 0.00 H -ATOM 341 HH21 ARG A 19 0.614 8.348 -2.048 1.00 0.00 H -ATOM 342 HH22 ARG A 19 0.443 10.034 -2.405 1.00 0.00 H -ATOM 343 N ASP A 20 4.792 3.414 1.366 1.00 0.00 N -ATOM 344 CA ASP A 20 5.859 2.571 1.982 1.00 0.00 C -ATOM 345 C ASP A 20 5.684 1.107 1.562 1.00 0.00 C -ATOM 346 O ASP A 20 6.641 0.362 1.475 1.00 0.00 O -ATOM 347 CB ASP A 20 5.664 2.725 3.490 1.00 0.00 C -ATOM 348 CG ASP A 20 6.132 4.114 3.927 1.00 0.00 C -ATOM 349 OD1 ASP A 20 5.714 5.080 3.309 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.900 4.190 4.872 1.00 0.00 O -ATOM 351 H ASP A 20 3.896 3.423 1.761 1.00 0.00 H -ATOM 352 HA ASP A 20 6.835 2.930 1.697 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.618 2.603 3.733 1.00 0.00 H -ATOM 354 HB3 ASP A 20 6.245 1.974 4.007 1.00 0.00 H -ATOM 355 N PHE A 21 4.467 0.692 1.304 1.00 0.00 N -ATOM 356 CA PHE A 21 4.228 -0.726 0.892 1.00 0.00 C -ATOM 357 C PHE A 21 4.865 -1.009 -0.478 1.00 0.00 C -ATOM 358 O PHE A 21 5.891 -1.653 -0.572 1.00 0.00 O -ATOM 359 CB PHE A 21 2.706 -0.891 0.825 1.00 0.00 C -ATOM 360 CG PHE A 21 2.410 -2.291 0.365 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.495 -3.334 1.280 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.082 -2.544 -0.969 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.243 -4.648 0.869 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.829 -3.854 -1.386 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.907 -4.908 -0.465 1.00 0.00 C -ATOM 366 H PHE A 21 3.713 1.313 1.382 1.00 0.00 H -ATOM 367 HA PHE A 21 4.622 -1.407 1.634 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.291 -0.738 1.802 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.272 -0.181 0.143 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.770 -3.119 2.302 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.025 -1.728 -1.677 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.303 -5.458 1.581 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.581 -4.053 -2.417 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.712 -5.921 -0.785 1.00 0.00 H -ATOM 375 N ILE A 22 4.245 -0.545 -1.540 1.00 0.00 N -ATOM 376 CA ILE A 22 4.781 -0.787 -2.925 1.00 0.00 C -ATOM 377 C ILE A 22 6.284 -0.473 -2.978 1.00 0.00 C -ATOM 378 O ILE A 22 7.034 -1.076 -3.721 1.00 0.00 O -ATOM 379 CB ILE A 22 3.994 0.170 -3.830 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.528 -0.270 -3.865 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.552 0.111 -5.253 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.679 0.644 -2.994 1.00 0.00 C -ATOM 383 H ILE A 22 3.417 -0.043 -1.425 1.00 0.00 H -ATOM 384 HA ILE A 22 4.583 -1.805 -3.231 1.00 0.00 H -ATOM 385 HB ILE A 22 4.069 1.177 -3.447 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.165 -0.230 -4.880 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.450 -1.280 -3.497 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.027 0.818 -5.875 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.412 -0.886 -5.644 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.605 0.350 -5.238 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.413 0.122 -2.084 1.00 0.00 H -ATOM 392 HD12 ILE A 22 0.779 0.913 -3.527 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.234 1.536 -2.749 1.00 0.00 H -ATOM 394 N GLU A 23 6.709 0.469 -2.182 1.00 0.00 N -ATOM 395 CA GLU A 23 8.155 0.842 -2.156 1.00 0.00 C -ATOM 396 C GLU A 23 8.964 -0.237 -1.434 1.00 0.00 C -ATOM 397 O GLU A 23 9.954 -0.727 -1.946 1.00 0.00 O -ATOM 398 CB GLU A 23 8.219 2.163 -1.389 1.00 0.00 C -ATOM 399 CG GLU A 23 9.578 2.824 -1.626 1.00 0.00 C -ATOM 400 CD GLU A 23 10.548 2.405 -0.521 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.283 2.725 0.626 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.542 1.772 -0.840 1.00 0.00 O -ATOM 403 H GLU A 23 6.068 0.930 -1.594 1.00 0.00 H -ATOM 404 HA GLU A 23 8.526 0.979 -3.160 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.433 2.818 -1.735 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.092 1.974 -0.334 1.00 0.00 H -ATOM 407 HG2 GLU A 23 9.966 2.514 -2.584 1.00 0.00 H -ATOM 408 HG3 GLU A 23 9.463 3.898 -1.613 1.00 0.00 H -ATOM 409 N LYS A 24 8.546 -0.616 -0.252 1.00 0.00 N -ATOM 410 CA LYS A 24 9.286 -1.672 0.500 1.00 0.00 C -ATOM 411 C LYS A 24 8.998 -3.036 -0.125 1.00 0.00 C -ATOM 412 O LYS A 24 9.899 -3.735 -0.550 1.00 0.00 O -ATOM 413 CB LYS A 24 8.748 -1.607 1.932 1.00 0.00 C -ATOM 414 CG LYS A 24 9.793 -2.174 2.894 1.00 0.00 C -ATOM 415 CD LYS A 24 9.538 -3.667 3.105 1.00 0.00 C -ATOM 416 CE LYS A 24 10.040 -4.081 4.489 1.00 0.00 C -ATOM 417 NZ LYS A 24 11.435 -4.553 4.267 1.00 0.00 N -ATOM 418 H LYS A 24 7.743 -0.210 0.135 1.00 0.00 H -ATOM 419 HA LYS A 24 10.346 -1.469 0.492 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.540 -0.579 2.191 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.842 -2.189 2.003 1.00 0.00 H -ATOM 422 HG2 LYS A 24 10.780 -2.031 2.478 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.725 -1.663 3.842 1.00 0.00 H -ATOM 424 HD2 LYS A 24 8.478 -3.865 3.031 1.00 0.00 H -ATOM 425 HD3 LYS A 24 10.063 -4.232 2.349 1.00 0.00 H -ATOM 426 HE2 LYS A 24 10.029 -3.232 5.160 1.00 0.00 H -ATOM 427 HE3 LYS A 24 9.437 -4.882 4.885 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 11.877 -4.775 5.181 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 11.981 -3.807 3.788 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 11.422 -5.408 3.674 1.00 0.00 H -ATOM 431 N PHE A 25 7.746 -3.415 -0.190 1.00 0.00 N -ATOM 432 CA PHE A 25 7.391 -4.723 -0.792 1.00 0.00 C -ATOM 433 C PHE A 25 7.295 -4.594 -2.316 1.00 0.00 C -ATOM 434 O PHE A 25 6.268 -4.868 -2.910 1.00 0.00 O -ATOM 435 CB PHE A 25 6.033 -5.091 -0.197 1.00 0.00 C -ATOM 436 CG PHE A 25 5.692 -6.501 -0.599 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.544 -7.552 -0.243 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.531 -6.758 -1.334 1.00 0.00 C -ATOM 439 CE1 PHE A 25 6.232 -8.863 -0.620 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.218 -8.069 -1.713 1.00 0.00 C -ATOM 441 CZ PHE A 25 5.070 -9.122 -1.356 1.00 0.00 C -ATOM 442 H PHE A 25 7.043 -2.837 0.154 1.00 0.00 H -ATOM 443 HA PHE A 25 8.120 -5.457 -0.521 1.00 0.00 H -ATOM 444 HB2 PHE A 25 6.079 -5.022 0.881 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.276 -4.417 -0.571 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.441 -7.349 0.323 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.876 -5.944 -1.609 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.889 -9.674 -0.344 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.321 -8.268 -2.282 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.829 -10.134 -1.648 1.00 0.00 H -ATOM 451 N LYS A 26 8.361 -4.176 -2.948 1.00 0.00 N -ATOM 452 CA LYS A 26 8.348 -4.020 -4.439 1.00 0.00 C -ATOM 453 C LYS A 26 7.961 -5.333 -5.128 1.00 0.00 C -ATOM 454 O LYS A 26 7.515 -5.341 -6.259 1.00 0.00 O -ATOM 455 CB LYS A 26 9.776 -3.620 -4.816 1.00 0.00 C -ATOM 456 CG LYS A 26 9.970 -2.121 -4.574 1.00 0.00 C -ATOM 457 CD LYS A 26 9.695 -1.352 -5.869 1.00 0.00 C -ATOM 458 CE LYS A 26 11.008 -1.124 -6.620 1.00 0.00 C -ATOM 459 NZ LYS A 26 10.738 0.030 -7.524 1.00 0.00 N -ATOM 460 H LYS A 26 9.171 -3.961 -2.440 1.00 0.00 H -ATOM 461 HA LYS A 26 7.666 -3.244 -4.721 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.477 -4.177 -4.211 1.00 0.00 H -ATOM 463 HB3 LYS A 26 9.948 -3.838 -5.859 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.287 -1.790 -3.806 1.00 0.00 H -ATOM 465 HG3 LYS A 26 10.985 -1.936 -4.256 1.00 0.00 H -ATOM 466 HD2 LYS A 26 9.019 -1.923 -6.489 1.00 0.00 H -ATOM 467 HD3 LYS A 26 9.247 -0.398 -5.632 1.00 0.00 H -ATOM 468 HE2 LYS A 26 11.801 -0.882 -5.925 1.00 0.00 H -ATOM 469 HE3 LYS A 26 11.267 -1.995 -7.200 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.631 0.368 -7.932 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 10.294 0.799 -6.982 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 10.098 -0.272 -8.288 1.00 0.00 H -ATOM 473 N GLY A 27 8.128 -6.436 -4.452 1.00 0.00 N -ATOM 474 CA GLY A 27 7.774 -7.756 -5.054 1.00 0.00 C -ATOM 475 C GLY A 27 9.044 -8.582 -5.257 1.00 0.00 C -ATOM 476 O GLY A 27 9.176 -9.671 -4.730 1.00 0.00 O -ATOM 477 H GLY A 27 8.489 -6.396 -3.547 1.00 0.00 H -ATOM 478 HA2 GLY A 27 7.101 -8.283 -4.393 1.00 0.00 H -ATOM 479 HA3 GLY A 27 7.294 -7.600 -6.008 1.00 0.00 H -ATOM 480 N ARG A 28 9.979 -8.070 -6.017 1.00 0.00 N -ATOM 481 CA ARG A 28 11.248 -8.820 -6.259 1.00 0.00 C -ATOM 482 C ARG A 28 12.290 -8.446 -5.203 1.00 0.00 C -ATOM 483 O ARG A 28 13.297 -9.130 -5.124 1.00 0.00 O -ATOM 484 CB ARG A 28 11.711 -8.378 -7.648 1.00 0.00 C -ATOM 485 CG ARG A 28 12.809 -9.323 -8.143 1.00 0.00 C -ATOM 486 CD ARG A 28 12.756 -9.421 -9.670 1.00 0.00 C -ATOM 487 NE ARG A 28 13.863 -8.550 -10.152 1.00 0.00 N -ATOM 488 CZ ARG A 28 14.745 -9.021 -10.991 1.00 0.00 C -ATOM 489 NH1 ARG A 28 15.647 -9.869 -10.581 1.00 0.00 N -ATOM 490 NH2 ARG A 28 14.722 -8.645 -12.241 1.00 0.00 N -ATOM 491 OXT ARG A 28 12.063 -7.482 -4.489 1.00 0.00 O -ATOM 492 H ARG A 28 9.847 -7.190 -6.428 1.00 0.00 H -ATOM 493 HA ARG A 28 11.066 -9.882 -6.252 1.00 0.00 H -ATOM 494 HB2 ARG A 28 10.875 -8.406 -8.332 1.00 0.00 H -ATOM 495 HB3 ARG A 28 12.101 -7.373 -7.595 1.00 0.00 H -ATOM 496 HG2 ARG A 28 13.774 -8.943 -7.839 1.00 0.00 H -ATOM 497 HG3 ARG A 28 12.658 -10.303 -7.717 1.00 0.00 H -ATOM 498 HD2 ARG A 28 12.915 -10.444 -9.985 1.00 0.00 H -ATOM 499 HD3 ARG A 28 11.810 -9.056 -10.041 1.00 0.00 H -ATOM 500 HE ARG A 28 13.930 -7.624 -9.838 1.00 0.00 H -ATOM 501 HH11 ARG A 28 15.665 -10.157 -9.624 1.00 0.00 H -ATOM 502 HH12 ARG A 28 16.323 -10.230 -11.225 1.00 0.00 H -ATOM 503 HH21 ARG A 28 14.029 -7.997 -12.555 1.00 0.00 H -ATOM 504 HH22 ARG A 28 15.397 -9.007 -12.884 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 20 -ATOM 1 N GLU A 1 -12.636 11.141 3.949 1.00 0.00 N -ATOM 2 CA GLU A 1 -12.816 10.243 2.772 1.00 0.00 C -ATOM 3 C GLU A 1 -11.457 9.738 2.280 1.00 0.00 C -ATOM 4 O GLU A 1 -10.656 10.493 1.762 1.00 0.00 O -ATOM 5 CB GLU A 1 -13.481 11.115 1.707 1.00 0.00 C -ATOM 6 CG GLU A 1 -14.318 10.237 0.776 1.00 0.00 C -ATOM 7 CD GLU A 1 -15.390 11.089 0.097 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -16.226 11.629 0.804 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.359 11.188 -1.119 1.00 0.00 O -ATOM 10 H1 GLU A 1 -11.941 11.879 3.719 1.00 0.00 H -ATOM 11 H2 GLU A 1 -12.296 10.584 4.761 1.00 0.00 H -ATOM 12 H3 GLU A 1 -13.545 11.586 4.189 1.00 0.00 H -ATOM 13 HA GLU A 1 -13.459 9.414 3.023 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -14.119 11.844 2.187 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -12.721 11.624 1.133 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -13.677 9.797 0.026 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -14.792 9.455 1.350 1.00 0.00 H -ATOM 18 N GLN A 2 -11.193 8.464 2.439 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.885 7.903 1.983 1.00 0.00 C -ATOM 20 C GLN A 2 -10.102 6.960 0.795 1.00 0.00 C -ATOM 21 O GLN A 2 -11.217 6.574 0.494 1.00 0.00 O -ATOM 22 CB GLN A 2 -9.331 7.137 3.193 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.913 7.621 3.508 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.977 8.999 4.172 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -8.940 9.723 4.007 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -6.985 9.397 4.922 1.00 0.00 N -ATOM 27 H GLN A 2 -11.856 7.878 2.861 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.212 8.701 1.709 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -9.967 7.310 4.051 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -9.307 6.080 2.973 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -7.433 6.920 4.175 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.345 7.692 2.592 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -6.207 8.815 5.055 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -7.018 10.277 5.351 1.00 0.00 H -ATOM 35 N TYR A 3 -9.044 6.597 0.114 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.177 5.690 -1.062 1.00 0.00 C -ATOM 37 C TYR A 3 -9.156 4.216 -0.630 1.00 0.00 C -ATOM 38 O TYR A 3 -9.155 3.904 0.546 1.00 0.00 O -ATOM 39 CB TYR A 3 -7.980 6.040 -1.957 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.690 5.612 -1.302 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.284 4.279 -1.382 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -5.906 6.543 -0.618 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.101 3.873 -0.784 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.714 6.139 -0.014 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.308 4.800 -0.096 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.131 4.395 0.500 1.00 0.00 O -ATOM 47 H TYR A 3 -8.161 6.929 0.373 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.082 5.901 -1.586 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.084 5.538 -2.906 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -7.961 7.108 -2.115 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.889 3.556 -1.906 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.221 7.574 -0.555 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.803 2.843 -0.853 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.110 6.857 0.515 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.480 5.090 0.375 1.00 0.00 H -ATOM 56 N THR A 4 -9.125 3.316 -1.580 1.00 0.00 N -ATOM 57 CA THR A 4 -9.088 1.861 -1.243 1.00 0.00 C -ATOM 58 C THR A 4 -7.728 1.252 -1.619 1.00 0.00 C -ATOM 59 O THR A 4 -6.914 0.998 -0.770 1.00 0.00 O -ATOM 60 CB THR A 4 -10.208 1.210 -2.063 1.00 0.00 C -ATOM 61 OG1 THR A 4 -10.409 1.928 -3.275 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.501 1.209 -1.247 1.00 0.00 C -ATOM 63 H THR A 4 -9.117 3.598 -2.519 1.00 0.00 H -ATOM 64 HA THR A 4 -9.278 1.720 -0.191 1.00 0.00 H -ATOM 65 HB THR A 4 -9.937 0.191 -2.292 1.00 0.00 H -ATOM 66 HG1 THR A 4 -10.781 1.322 -3.921 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.739 2.220 -0.948 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.369 0.595 -0.367 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.306 0.811 -1.846 1.00 0.00 H -ATOM 70 N ALA A 5 -7.487 1.029 -2.887 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.194 0.426 -3.358 1.00 0.00 C -ATOM 72 C ALA A 5 -5.925 -0.907 -2.675 1.00 0.00 C -ATOM 73 O ALA A 5 -5.735 -0.965 -1.485 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.101 1.408 -2.983 1.00 0.00 C -ATOM 75 H ALA A 5 -8.157 1.262 -3.539 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.213 0.296 -4.429 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.546 2.356 -2.741 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.431 1.520 -3.818 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.554 1.023 -2.126 1.00 0.00 H -ATOM 80 N LYS A 6 -5.871 -1.964 -3.427 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.585 -3.301 -2.817 1.00 0.00 C -ATOM 82 C LYS A 6 -4.267 -3.862 -3.338 1.00 0.00 C -ATOM 83 O LYS A 6 -3.958 -3.781 -4.512 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.745 -4.216 -3.207 1.00 0.00 C -ATOM 85 CG LYS A 6 -6.941 -4.203 -4.725 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.929 -5.301 -5.123 1.00 0.00 C -ATOM 87 CE LYS A 6 -7.572 -5.829 -6.515 1.00 0.00 C -ATOM 88 NZ LYS A 6 -8.061 -7.235 -6.529 1.00 0.00 N -ATOM 89 H LYS A 6 -5.993 -1.876 -4.392 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.543 -3.211 -1.746 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.520 -5.221 -2.881 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.649 -3.875 -2.725 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.329 -3.241 -5.025 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -5.995 -4.378 -5.211 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.878 -6.108 -4.407 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.930 -4.896 -5.140 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -8.071 -5.246 -7.276 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -6.503 -5.807 -6.662 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -9.079 -7.250 -6.321 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -7.551 -7.787 -5.808 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -7.895 -7.651 -7.467 1.00 0.00 H -ATOM 102 N TYR A 7 -3.490 -4.432 -2.459 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.178 -5.013 -2.865 1.00 0.00 C -ATOM 104 C TYR A 7 -2.053 -6.434 -2.312 1.00 0.00 C -ATOM 105 O TYR A 7 -2.108 -6.652 -1.118 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.113 -4.105 -2.256 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.167 -2.775 -2.926 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.196 -1.889 -2.624 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.180 -2.430 -3.838 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.249 -0.644 -3.241 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.215 -1.187 -4.461 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.253 -0.283 -4.166 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.299 0.951 -4.785 1.00 0.00 O -ATOM 114 H TYR A 7 -3.777 -4.480 -1.523 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.083 -5.008 -3.940 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.285 -3.976 -1.206 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.143 -4.535 -2.411 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.959 -2.175 -1.918 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.610 -3.131 -4.063 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -3.046 0.046 -2.989 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.560 -0.923 -5.162 1.00 0.00 H -ATOM 122 HH TYR A 7 -0.398 1.251 -4.921 1.00 0.00 H -ATOM 123 N LYS A 8 -1.890 -7.402 -3.177 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.764 -8.827 -2.725 1.00 0.00 C -ATOM 125 C LYS A 8 -2.953 -9.240 -1.840 1.00 0.00 C -ATOM 126 O LYS A 8 -2.867 -10.190 -1.085 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.454 -8.898 -1.931 1.00 0.00 C -ATOM 128 CG LYS A 8 0.697 -9.249 -2.876 1.00 0.00 C -ATOM 129 CD LYS A 8 0.719 -10.761 -3.112 1.00 0.00 C -ATOM 130 CE LYS A 8 1.652 -11.422 -2.096 1.00 0.00 C -ATOM 131 NZ LYS A 8 0.991 -12.712 -1.750 1.00 0.00 N -ATOM 132 H LYS A 8 -1.851 -7.192 -4.133 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.700 -9.481 -3.582 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.260 -7.942 -1.466 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.535 -9.658 -1.169 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.556 -8.739 -3.818 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.632 -8.942 -2.435 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.280 -11.157 -2.998 1.00 0.00 H -ATOM 139 HD3 LYS A 8 1.075 -10.965 -4.110 1.00 0.00 H -ATOM 140 HE2 LYS A 8 2.622 -11.600 -2.538 1.00 0.00 H -ATOM 141 HE3 LYS A 8 1.744 -10.807 -1.214 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 0.005 -12.532 -1.470 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 1.500 -13.162 -0.963 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 1.009 -13.343 -2.577 1.00 0.00 H -ATOM 145 N GLY A 9 -4.063 -8.546 -1.941 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.260 -8.915 -1.119 1.00 0.00 C -ATOM 147 C GLY A 9 -5.342 -8.046 0.142 1.00 0.00 C -ATOM 148 O GLY A 9 -5.773 -8.502 1.184 1.00 0.00 O -ATOM 149 H GLY A 9 -4.116 -7.794 -2.567 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.153 -8.773 -1.710 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.185 -9.952 -0.830 1.00 0.00 H -ATOM 152 N ARG A 10 -4.943 -6.802 0.056 1.00 0.00 N -ATOM 153 CA ARG A 10 -5.007 -5.903 1.254 1.00 0.00 C -ATOM 154 C ARG A 10 -5.301 -4.467 0.811 1.00 0.00 C -ATOM 155 O ARG A 10 -4.509 -3.860 0.117 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.616 -5.984 1.891 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.310 -7.430 2.290 1.00 0.00 C -ATOM 158 CD ARG A 10 -2.006 -7.474 3.089 1.00 0.00 C -ATOM 159 NE ARG A 10 -2.376 -7.021 4.457 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.761 -6.005 4.997 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.517 -6.123 5.378 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -2.387 -4.871 5.157 1.00 0.00 N -ATOM 163 H ARG A 10 -4.602 -6.457 -0.794 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.756 -6.249 1.948 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.876 -5.640 1.183 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.589 -5.358 2.771 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -4.117 -7.817 2.894 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -3.203 -8.033 1.401 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.619 -8.483 3.116 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.280 -6.801 2.660 1.00 0.00 H -ATOM 171 HE ARG A 10 -3.080 -7.487 4.953 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -0.038 -6.991 5.255 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -0.046 -5.345 5.793 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -3.339 -4.781 4.864 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -1.915 -4.093 5.570 1.00 0.00 H -ATOM 176 N THR A 11 -6.431 -3.915 1.199 1.00 0.00 N -ATOM 177 CA THR A 11 -6.750 -2.517 0.778 1.00 0.00 C -ATOM 178 C THR A 11 -5.879 -1.512 1.544 1.00 0.00 C -ATOM 179 O THR A 11 -5.247 -1.846 2.527 1.00 0.00 O -ATOM 180 CB THR A 11 -8.228 -2.286 1.101 1.00 0.00 C -ATOM 181 OG1 THR A 11 -9.002 -3.350 0.564 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.677 -0.956 0.477 1.00 0.00 C -ATOM 183 H THR A 11 -7.061 -4.419 1.757 1.00 0.00 H -ATOM 184 HA THR A 11 -6.598 -2.421 -0.279 1.00 0.00 H -ATOM 185 HB THR A 11 -8.364 -2.241 2.170 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.237 -3.940 1.285 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.751 -0.874 0.532 1.00 0.00 H -ATOM 188 HG22 THR A 11 -8.367 -0.917 -0.559 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.225 -0.131 1.012 1.00 0.00 H -ATOM 190 N PHE A 12 -5.848 -0.283 1.095 1.00 0.00 N -ATOM 191 CA PHE A 12 -5.031 0.762 1.777 1.00 0.00 C -ATOM 192 C PHE A 12 -5.868 2.018 2.030 1.00 0.00 C -ATOM 193 O PHE A 12 -6.512 2.536 1.139 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.880 1.058 0.812 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.858 -0.024 0.979 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -3.089 -1.245 0.369 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.699 0.183 1.739 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.169 -2.283 0.510 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.768 -0.856 1.881 1.00 0.00 C -ATOM 200 CZ PHE A 12 -1.008 -2.093 1.268 1.00 0.00 C -ATOM 201 H PHE A 12 -6.368 -0.045 0.299 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.636 0.382 2.706 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.243 1.051 -0.217 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.439 2.016 1.044 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.982 -1.378 -0.228 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.526 1.137 2.217 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.363 -3.234 0.049 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.136 -0.703 2.453 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.293 -2.896 1.374 1.00 0.00 H -ATOM 210 N ARG A 13 -5.859 2.507 3.244 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.647 3.733 3.570 1.00 0.00 C -ATOM 212 C ARG A 13 -5.713 4.815 4.115 1.00 0.00 C -ATOM 213 O ARG A 13 -6.004 5.464 5.100 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.647 3.289 4.641 1.00 0.00 C -ATOM 215 CG ARG A 13 -9.018 3.058 3.999 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.894 2.225 4.938 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.786 1.444 4.038 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.991 1.875 3.778 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.191 2.687 2.777 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -12.996 1.492 4.518 1.00 0.00 N -ATOM 221 H ARG A 13 -5.330 2.069 3.941 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.170 4.089 2.697 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.303 2.372 5.097 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -7.730 4.057 5.396 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.492 4.011 3.813 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.893 2.530 3.065 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -9.280 1.562 5.532 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -10.481 2.869 5.575 1.00 0.00 H -ATOM 229 HE ARG A 13 -10.470 0.606 3.641 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -11.423 2.980 2.208 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -13.114 3.017 2.577 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -12.842 0.868 5.285 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -13.918 1.822 4.317 1.00 0.00 H -ATOM 234 N ASN A 14 -4.587 5.007 3.473 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.610 6.044 3.933 1.00 0.00 C -ATOM 236 C ASN A 14 -2.445 6.133 2.944 1.00 0.00 C -ATOM 237 O ASN A 14 -1.893 5.130 2.532 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.107 5.570 5.300 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.767 6.785 6.164 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.643 7.405 6.734 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.522 7.156 6.285 1.00 0.00 N -ATOM 242 H ASN A 14 -4.383 4.467 2.681 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.096 7.002 4.029 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.876 4.986 5.786 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.223 4.966 5.169 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -0.816 6.657 5.824 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.293 7.934 6.835 1.00 0.00 H -ATOM 248 N GLU A 15 -2.072 7.326 2.563 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.941 7.491 1.599 1.00 0.00 C -ATOM 250 C GLU A 15 0.372 7.025 2.235 1.00 0.00 C -ATOM 251 O GLU A 15 1.221 6.453 1.578 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.890 8.989 1.295 1.00 0.00 C -ATOM 253 CG GLU A 15 -1.780 9.295 0.089 1.00 0.00 C -ATOM 254 CD GLU A 15 -1.042 8.925 -1.199 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -0.702 7.762 -1.349 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -0.830 9.808 -2.012 1.00 0.00 O -ATOM 257 H GLU A 15 -2.537 8.116 2.913 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.136 6.938 0.693 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.246 9.540 2.153 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.125 9.279 1.075 1.00 0.00 H -ATOM 261 HG2 GLU A 15 -2.692 8.722 0.160 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -2.016 10.349 0.074 1.00 0.00 H -ATOM 263 N LYS A 16 0.545 7.271 3.511 1.00 0.00 N -ATOM 264 CA LYS A 16 1.803 6.850 4.201 1.00 0.00 C -ATOM 265 C LYS A 16 2.003 5.341 4.082 1.00 0.00 C -ATOM 266 O LYS A 16 3.091 4.862 3.821 1.00 0.00 O -ATOM 267 CB LYS A 16 1.618 7.252 5.665 1.00 0.00 C -ATOM 268 CG LYS A 16 2.984 7.533 6.296 1.00 0.00 C -ATOM 269 CD LYS A 16 2.811 8.493 7.474 1.00 0.00 C -ATOM 270 CE LYS A 16 4.172 9.074 7.865 1.00 0.00 C -ATOM 271 NZ LYS A 16 4.234 10.398 7.186 1.00 0.00 N -ATOM 272 H LYS A 16 -0.150 7.737 4.013 1.00 0.00 H -ATOM 273 HA LYS A 16 2.635 7.367 3.784 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.005 8.140 5.720 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.136 6.447 6.200 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.416 6.606 6.644 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.635 7.981 5.561 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.145 9.295 7.189 1.00 0.00 H -ATOM 279 HD3 LYS A 16 2.395 7.960 8.315 1.00 0.00 H -ATOM 280 HE2 LYS A 16 4.234 9.194 8.939 1.00 0.00 H -ATOM 281 HE3 LYS A 16 4.970 8.439 7.510 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 3.400 10.961 7.449 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 4.245 10.260 6.156 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 5.097 10.898 7.480 1.00 0.00 H -ATOM 285 N GLU A 17 0.954 4.601 4.271 1.00 0.00 N -ATOM 286 CA GLU A 17 1.043 3.110 4.177 1.00 0.00 C -ATOM 287 C GLU A 17 1.416 2.696 2.752 1.00 0.00 C -ATOM 288 O GLU A 17 2.406 2.029 2.526 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.357 2.600 4.523 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.501 2.482 6.040 1.00 0.00 C -ATOM 291 CD GLU A 17 0.413 1.369 6.556 1.00 0.00 C -ATOM 292 OE1 GLU A 17 -0.009 0.224 6.531 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.518 1.680 6.969 1.00 0.00 O -ATOM 294 H GLU A 17 0.102 5.033 4.476 1.00 0.00 H -ATOM 295 HA GLU A 17 1.762 2.728 4.884 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.095 3.292 4.145 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.508 1.631 4.074 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.226 3.420 6.502 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.526 2.247 6.285 1.00 0.00 H -ATOM 300 N LEU A 18 0.616 3.089 1.795 1.00 0.00 N -ATOM 301 CA LEU A 18 0.895 2.729 0.369 1.00 0.00 C -ATOM 302 C LEU A 18 2.289 3.208 -0.041 1.00 0.00 C -ATOM 303 O LEU A 18 3.017 2.509 -0.722 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.196 3.453 -0.437 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.538 2.670 -1.710 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -1.048 1.262 -1.354 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.624 3.424 -2.483 1.00 0.00 C -ATOM 308 H LEU A 18 -0.175 3.620 2.018 1.00 0.00 H -ATOM 309 HA LEU A 18 0.818 1.666 0.231 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.082 3.548 0.173 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.157 4.437 -0.708 1.00 0.00 H -ATOM 312 HG LEU A 18 0.342 2.592 -2.324 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.895 1.078 -0.313 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.510 0.518 -1.924 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -2.103 1.187 -1.576 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.588 3.223 -2.040 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.626 3.097 -3.512 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.424 4.485 -2.443 1.00 0.00 H -ATOM 319 N ARG A 19 2.672 4.384 0.380 1.00 0.00 N -ATOM 320 CA ARG A 19 4.029 4.899 0.027 1.00 0.00 C -ATOM 321 C ARG A 19 5.109 4.002 0.643 1.00 0.00 C -ATOM 322 O ARG A 19 6.241 3.989 0.195 1.00 0.00 O -ATOM 323 CB ARG A 19 4.097 6.307 0.622 1.00 0.00 C -ATOM 324 CG ARG A 19 3.186 7.251 -0.171 1.00 0.00 C -ATOM 325 CD ARG A 19 4.030 8.120 -1.109 1.00 0.00 C -ATOM 326 NE ARG A 19 3.042 8.893 -1.910 1.00 0.00 N -ATOM 327 CZ ARG A 19 3.137 8.929 -3.213 1.00 0.00 C -ATOM 328 NH1 ARG A 19 3.432 7.844 -3.876 1.00 0.00 N -ATOM 329 NH2 ARG A 19 2.934 10.049 -3.851 1.00 0.00 N -ATOM 330 H ARG A 19 2.071 4.922 0.938 1.00 0.00 H -ATOM 331 HA ARG A 19 4.145 4.943 -1.044 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.773 6.275 1.652 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.114 6.665 0.577 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.482 6.673 -0.752 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.647 7.888 0.515 1.00 0.00 H -ATOM 336 HD2 ARG A 19 4.657 8.789 -0.537 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.630 7.502 -1.758 1.00 0.00 H -ATOM 338 HE ARG A 19 2.320 9.377 -1.459 1.00 0.00 H -ATOM 339 HH11 ARG A 19 3.585 6.985 -3.388 1.00 0.00 H -ATOM 340 HH12 ARG A 19 3.506 7.872 -4.873 1.00 0.00 H -ATOM 341 HH21 ARG A 19 2.706 10.879 -3.343 1.00 0.00 H -ATOM 342 HH22 ARG A 19 3.007 10.076 -4.847 1.00 0.00 H -ATOM 343 N ASP A 20 4.770 3.255 1.667 1.00 0.00 N -ATOM 344 CA ASP A 20 5.776 2.362 2.312 1.00 0.00 C -ATOM 345 C ASP A 20 5.590 0.917 1.840 1.00 0.00 C -ATOM 346 O ASP A 20 6.538 0.156 1.776 1.00 0.00 O -ATOM 347 CB ASP A 20 5.498 2.475 3.813 1.00 0.00 C -ATOM 348 CG ASP A 20 6.460 3.488 4.438 1.00 0.00 C -ATOM 349 OD1 ASP A 20 6.442 4.631 4.013 1.00 0.00 O -ATOM 350 OD2 ASP A 20 7.197 3.102 5.329 1.00 0.00 O -ATOM 351 H ASP A 20 3.855 3.282 2.012 1.00 0.00 H -ATOM 352 HA ASP A 20 6.775 2.704 2.095 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.480 2.802 3.965 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.641 1.511 4.278 1.00 0.00 H -ATOM 355 N PHE A 21 4.380 0.530 1.513 1.00 0.00 N -ATOM 356 CA PHE A 21 4.145 -0.871 1.050 1.00 0.00 C -ATOM 357 C PHE A 21 4.821 -1.119 -0.305 1.00 0.00 C -ATOM 358 O PHE A 21 5.825 -1.797 -0.391 1.00 0.00 O -ATOM 359 CB PHE A 21 2.632 -1.037 0.923 1.00 0.00 C -ATOM 360 CG PHE A 21 2.374 -2.464 0.527 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.371 -3.446 1.511 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.172 -2.805 -0.816 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.157 -4.784 1.166 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.958 -4.143 -1.166 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.949 -5.134 -0.175 1.00 0.00 C -ATOM 366 H PHE A 21 3.631 1.159 1.574 1.00 0.00 H -ATOM 367 HA PHE A 21 4.512 -1.577 1.785 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.170 -0.831 1.871 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.230 -0.372 0.181 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.544 -3.165 2.538 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.190 -2.038 -1.583 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.154 -5.547 1.930 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.802 -4.411 -2.200 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.783 -6.166 -0.445 1.00 0.00 H -ATOM 375 N ILE A 22 4.258 -0.587 -1.367 1.00 0.00 N -ATOM 376 CA ILE A 22 4.839 -0.796 -2.735 1.00 0.00 C -ATOM 377 C ILE A 22 6.340 -0.484 -2.725 1.00 0.00 C -ATOM 378 O ILE A 22 7.120 -1.095 -3.432 1.00 0.00 O -ATOM 379 CB ILE A 22 4.084 0.174 -3.650 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.610 -0.240 -3.712 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.668 0.103 -5.061 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.760 0.698 -2.865 1.00 0.00 C -ATOM 383 H ILE A 22 3.446 -0.058 -1.262 1.00 0.00 H -ATOM 384 HA ILE A 22 4.657 -1.809 -3.066 1.00 0.00 H -ATOM 385 HB ILE A 22 4.169 1.180 -3.266 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.269 -0.200 -4.733 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.504 -1.245 -3.337 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.163 0.813 -5.697 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.528 -0.895 -5.449 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.723 0.331 -5.026 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.480 0.198 -1.948 1.00 0.00 H -ATOM 392 HD12 ILE A 22 0.869 0.965 -3.411 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.321 1.590 -2.632 1.00 0.00 H -ATOM 394 N GLU A 23 6.736 0.456 -1.912 1.00 0.00 N -ATOM 395 CA GLU A 23 8.183 0.812 -1.825 1.00 0.00 C -ATOM 396 C GLU A 23 8.960 -0.374 -1.261 1.00 0.00 C -ATOM 397 O GLU A 23 10.039 -0.697 -1.720 1.00 0.00 O -ATOM 398 CB GLU A 23 8.253 2.009 -0.873 1.00 0.00 C -ATOM 399 CG GLU A 23 9.688 2.535 -0.818 1.00 0.00 C -ATOM 400 CD GLU A 23 9.886 3.594 -1.904 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.481 4.724 -1.681 1.00 0.00 O -ATOM 402 OE2 GLU A 23 10.440 3.259 -2.937 1.00 0.00 O -ATOM 403 H GLU A 23 6.076 0.919 -1.348 1.00 0.00 H -ATOM 404 HA GLU A 23 8.564 1.084 -2.796 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.595 2.789 -1.229 1.00 0.00 H -ATOM 406 HB3 GLU A 23 7.945 1.701 0.114 1.00 0.00 H -ATOM 407 HG2 GLU A 23 9.873 2.972 0.153 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.377 1.720 -0.984 1.00 0.00 H -ATOM 409 N LYS A 24 8.405 -1.034 -0.277 1.00 0.00 N -ATOM 410 CA LYS A 24 9.089 -2.217 0.316 1.00 0.00 C -ATOM 411 C LYS A 24 8.798 -3.450 -0.541 1.00 0.00 C -ATOM 412 O LYS A 24 9.692 -4.198 -0.890 1.00 0.00 O -ATOM 413 CB LYS A 24 8.489 -2.368 1.716 1.00 0.00 C -ATOM 414 CG LYS A 24 9.103 -1.323 2.660 1.00 0.00 C -ATOM 415 CD LYS A 24 9.532 -1.993 3.970 1.00 0.00 C -ATOM 416 CE LYS A 24 11.023 -2.332 3.907 1.00 0.00 C -ATOM 417 NZ LYS A 24 11.190 -3.502 4.814 1.00 0.00 N -ATOM 418 H LYS A 24 7.529 -0.757 0.063 1.00 0.00 H -ATOM 419 HA LYS A 24 10.153 -2.044 0.383 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.420 -2.221 1.664 1.00 0.00 H -ATOM 421 HB3 LYS A 24 8.697 -3.359 2.089 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.965 -0.869 2.189 1.00 0.00 H -ATOM 423 HG3 LYS A 24 8.370 -0.560 2.875 1.00 0.00 H -ATOM 424 HD2 LYS A 24 9.350 -1.318 4.795 1.00 0.00 H -ATOM 425 HD3 LYS A 24 8.964 -2.899 4.113 1.00 0.00 H -ATOM 426 HE2 LYS A 24 11.305 -2.595 2.895 1.00 0.00 H -ATOM 427 HE3 LYS A 24 11.615 -1.503 4.260 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 10.769 -3.285 5.739 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 12.204 -3.707 4.932 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 10.713 -4.329 4.405 1.00 0.00 H -ATOM 431 N PHE A 25 7.552 -3.659 -0.891 1.00 0.00 N -ATOM 432 CA PHE A 25 7.194 -4.828 -1.733 1.00 0.00 C -ATOM 433 C PHE A 25 7.348 -4.476 -3.217 1.00 0.00 C -ATOM 434 O PHE A 25 6.426 -4.615 -3.997 1.00 0.00 O -ATOM 435 CB PHE A 25 5.732 -5.136 -1.400 1.00 0.00 C -ATOM 436 CG PHE A 25 5.331 -6.438 -2.051 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.083 -7.596 -1.828 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.204 -6.483 -2.881 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.710 -8.802 -2.435 1.00 0.00 C -ATOM 440 CE2 PHE A 25 3.830 -7.688 -3.487 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.582 -8.847 -3.264 1.00 0.00 C -ATOM 442 H PHE A 25 6.854 -3.044 -0.605 1.00 0.00 H -ATOM 443 HA PHE A 25 7.810 -5.663 -1.476 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.615 -5.217 -0.330 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.101 -4.341 -1.772 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.953 -7.560 -1.189 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.625 -5.587 -3.051 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.290 -9.697 -2.263 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.960 -7.722 -4.127 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.293 -9.776 -3.732 1.00 0.00 H -ATOM 451 N LYS A 26 8.513 -4.020 -3.607 1.00 0.00 N -ATOM 452 CA LYS A 26 8.746 -3.649 -5.042 1.00 0.00 C -ATOM 453 C LYS A 26 8.406 -4.816 -5.977 1.00 0.00 C -ATOM 454 O LYS A 26 8.141 -4.625 -7.149 1.00 0.00 O -ATOM 455 CB LYS A 26 10.236 -3.313 -5.133 1.00 0.00 C -ATOM 456 CG LYS A 26 10.431 -1.799 -5.021 1.00 0.00 C -ATOM 457 CD LYS A 26 10.500 -1.187 -6.421 1.00 0.00 C -ATOM 458 CE LYS A 26 10.493 0.340 -6.313 1.00 0.00 C -ATOM 459 NZ LYS A 26 10.486 0.824 -7.722 1.00 0.00 N -ATOM 460 H LYS A 26 9.235 -3.916 -2.952 1.00 0.00 H -ATOM 461 HA LYS A 26 8.160 -2.791 -5.300 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.764 -3.806 -4.328 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.625 -3.656 -6.081 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.600 -1.369 -4.479 1.00 0.00 H -ATOM 465 HG3 LYS A 26 11.349 -1.592 -4.493 1.00 0.00 H -ATOM 466 HD2 LYS A 26 11.409 -1.509 -6.910 1.00 0.00 H -ATOM 467 HD3 LYS A 26 9.647 -1.509 -6.998 1.00 0.00 H -ATOM 468 HE2 LYS A 26 9.605 0.675 -5.793 1.00 0.00 H -ATOM 469 HE3 LYS A 26 11.380 0.686 -5.808 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.354 0.511 -8.200 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 10.439 1.863 -7.731 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 9.660 0.435 -8.218 1.00 0.00 H -ATOM 473 N GLY A 27 8.413 -6.018 -5.467 1.00 0.00 N -ATOM 474 CA GLY A 27 8.093 -7.212 -6.312 1.00 0.00 C -ATOM 475 C GLY A 27 6.734 -7.029 -7.001 1.00 0.00 C -ATOM 476 O GLY A 27 6.477 -7.603 -8.042 1.00 0.00 O -ATOM 477 H GLY A 27 8.632 -6.137 -4.524 1.00 0.00 H -ATOM 478 HA2 GLY A 27 8.861 -7.334 -7.062 1.00 0.00 H -ATOM 479 HA3 GLY A 27 8.058 -8.093 -5.689 1.00 0.00 H -ATOM 480 N ARG A 28 5.867 -6.231 -6.428 1.00 0.00 N -ATOM 481 CA ARG A 28 4.523 -6.005 -7.048 1.00 0.00 C -ATOM 482 C ARG A 28 4.679 -5.412 -8.451 1.00 0.00 C -ATOM 483 O ARG A 28 5.004 -4.239 -8.544 1.00 0.00 O -ATOM 484 CB ARG A 28 3.815 -5.011 -6.125 1.00 0.00 C -ATOM 485 CG ARG A 28 2.310 -5.043 -6.396 1.00 0.00 C -ATOM 486 CD ARG A 28 1.949 -3.954 -7.409 1.00 0.00 C -ATOM 487 NE ARG A 28 0.536 -4.233 -7.782 1.00 0.00 N -ATOM 488 CZ ARG A 28 0.076 -3.833 -8.935 1.00 0.00 C -ATOM 489 NH1 ARG A 28 0.760 -4.057 -10.023 1.00 0.00 N -ATOM 490 NH2 ARG A 28 -1.068 -3.209 -8.999 1.00 0.00 N -ATOM 491 OXT ARG A 28 4.471 -6.140 -9.408 1.00 0.00 O -ATOM 492 H ARG A 28 6.100 -5.780 -5.589 1.00 0.00 H -ATOM 493 HA ARG A 28 3.967 -6.929 -7.089 1.00 0.00 H -ATOM 494 HB2 ARG A 28 4.002 -5.281 -5.095 1.00 0.00 H -ATOM 495 HB3 ARG A 28 4.191 -4.016 -6.311 1.00 0.00 H -ATOM 496 HG2 ARG A 28 2.037 -6.010 -6.793 1.00 0.00 H -ATOM 497 HG3 ARG A 28 1.774 -4.868 -5.476 1.00 0.00 H -ATOM 498 HD2 ARG A 28 2.035 -2.976 -6.955 1.00 0.00 H -ATOM 499 HD3 ARG A 28 2.583 -4.024 -8.279 1.00 0.00 H -ATOM 500 HE ARG A 28 -0.048 -4.719 -7.163 1.00 0.00 H -ATOM 501 HH11 ARG A 28 1.637 -4.534 -9.973 1.00 0.00 H -ATOM 502 HH12 ARG A 28 0.408 -3.751 -10.907 1.00 0.00 H -ATOM 503 HH21 ARG A 28 -1.590 -3.036 -8.164 1.00 0.00 H -ATOM 504 HH22 ARG A 28 -1.421 -2.903 -9.883 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 21 -ATOM 1 N GLU A 1 -13.774 9.133 4.233 1.00 0.00 N -ATOM 2 CA GLU A 1 -13.301 7.808 3.732 1.00 0.00 C -ATOM 3 C GLU A 1 -12.213 8.005 2.672 1.00 0.00 C -ATOM 4 O GLU A 1 -12.373 8.775 1.743 1.00 0.00 O -ATOM 5 CB GLU A 1 -14.544 7.148 3.118 1.00 0.00 C -ATOM 6 CG GLU A 1 -14.759 5.765 3.741 1.00 0.00 C -ATOM 7 CD GLU A 1 -15.732 5.880 4.915 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -15.441 6.631 5.831 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -16.755 5.214 4.879 1.00 0.00 O -ATOM 10 H1 GLU A 1 -14.275 9.633 3.472 1.00 0.00 H -ATOM 11 H2 GLU A 1 -12.956 9.698 4.541 1.00 0.00 H -ATOM 12 H3 GLU A 1 -14.419 8.990 5.035 1.00 0.00 H -ATOM 13 HA GLU A 1 -12.927 7.211 4.549 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -15.413 7.764 3.308 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -14.409 7.041 2.052 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -15.166 5.095 2.997 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -13.814 5.380 4.095 1.00 0.00 H -ATOM 18 N GLN A 2 -11.109 7.313 2.806 1.00 0.00 N -ATOM 19 CA GLN A 2 -10.004 7.453 1.810 1.00 0.00 C -ATOM 20 C GLN A 2 -10.153 6.403 0.707 1.00 0.00 C -ATOM 21 O GLN A 2 -10.992 5.525 0.784 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.721 7.217 2.608 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.629 8.169 2.117 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.895 9.574 2.659 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -8.775 10.265 2.184 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -7.167 10.029 3.642 1.00 0.00 N -ATOM 27 H GLN A 2 -11.007 6.700 3.564 1.00 0.00 H -ATOM 28 HA GLN A 2 -10.000 8.446 1.389 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.912 7.395 3.656 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -8.395 6.196 2.471 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -6.666 7.823 2.467 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.633 8.194 1.037 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -6.458 9.473 4.025 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -7.329 10.929 3.996 1.00 0.00 H -ATOM 35 N TYR A 3 -9.348 6.489 -0.325 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.439 5.502 -1.448 1.00 0.00 C -ATOM 37 C TYR A 3 -9.373 4.059 -0.940 1.00 0.00 C -ATOM 38 O TYR A 3 -8.834 3.781 0.114 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.259 5.807 -2.381 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.970 5.933 -1.607 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.413 4.826 -0.954 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.335 7.176 -1.545 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.221 4.972 -0.243 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.146 7.319 -0.835 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.586 6.218 -0.183 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.407 6.359 0.516 1.00 0.00 O -ATOM 47 H TYR A 3 -8.687 7.210 -0.368 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.349 5.654 -1.981 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.163 5.015 -3.107 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.455 6.738 -2.890 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.901 3.861 -0.997 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.768 8.027 -2.049 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.792 4.126 0.259 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.661 8.279 -0.787 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.712 5.920 0.019 1.00 0.00 H -ATOM 56 N THR A 4 -9.930 3.143 -1.693 1.00 0.00 N -ATOM 57 CA THR A 4 -9.917 1.711 -1.278 1.00 0.00 C -ATOM 58 C THR A 4 -8.957 0.915 -2.169 1.00 0.00 C -ATOM 59 O THR A 4 -9.341 -0.042 -2.815 1.00 0.00 O -ATOM 60 CB THR A 4 -11.356 1.228 -1.469 1.00 0.00 C -ATOM 61 OG1 THR A 4 -12.246 2.131 -0.827 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.514 -0.166 -0.861 1.00 0.00 C -ATOM 63 H THR A 4 -10.358 3.401 -2.536 1.00 0.00 H -ATOM 64 HA THR A 4 -9.632 1.621 -0.242 1.00 0.00 H -ATOM 65 HB THR A 4 -11.586 1.184 -2.522 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.678 2.655 -1.506 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.035 -0.192 0.107 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.054 -0.897 -1.510 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.563 -0.394 -0.749 1.00 0.00 H -ATOM 70 N ALA A 5 -7.709 1.311 -2.202 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.703 0.593 -3.040 1.00 0.00 C -ATOM 72 C ALA A 5 -6.610 -0.868 -2.614 1.00 0.00 C -ATOM 73 O ALA A 5 -7.464 -1.382 -1.927 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.362 1.290 -2.759 1.00 0.00 C -ATOM 75 H ALA A 5 -7.436 2.083 -1.674 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.948 0.673 -4.080 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.537 2.207 -2.217 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.870 1.513 -3.694 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.729 0.634 -2.163 1.00 0.00 H -ATOM 80 N LYS A 6 -5.546 -1.522 -3.000 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.321 -2.944 -2.602 1.00 0.00 C -ATOM 82 C LYS A 6 -4.063 -3.471 -3.271 1.00 0.00 C -ATOM 83 O LYS A 6 -3.744 -3.142 -4.398 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.540 -3.753 -3.035 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.223 -4.377 -1.818 1.00 0.00 C -ATOM 86 CD LYS A 6 -8.076 -5.564 -2.265 1.00 0.00 C -ATOM 87 CE LYS A 6 -9.381 -5.051 -2.879 1.00 0.00 C -ATOM 88 NZ LYS A 6 -9.863 -6.164 -3.744 1.00 0.00 N -ATOM 89 H LYS A 6 -4.871 -1.060 -3.535 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.198 -2.997 -1.539 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -7.233 -3.103 -3.535 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -6.221 -4.537 -3.700 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -6.473 -4.714 -1.117 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -7.854 -3.640 -1.346 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.533 -6.140 -3.000 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.303 -6.188 -1.413 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -10.101 -4.835 -2.102 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -9.196 -4.172 -3.477 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -10.701 -5.850 -4.276 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -10.113 -6.980 -3.152 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -9.113 -6.436 -4.409 1.00 0.00 H -ATOM 102 N TYR A 7 -3.343 -4.274 -2.555 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.072 -4.845 -3.076 1.00 0.00 C -ATOM 104 C TYR A 7 -1.952 -6.294 -2.604 1.00 0.00 C -ATOM 105 O TYR A 7 -1.891 -6.559 -1.421 1.00 0.00 O -ATOM 106 CB TYR A 7 -0.962 -3.982 -2.463 1.00 0.00 C -ATOM 107 CG TYR A 7 -0.896 -2.666 -3.169 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -1.826 -1.674 -2.867 1.00 0.00 C -ATOM 109 CD2 TYR A 7 0.098 -2.435 -4.113 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -1.777 -0.448 -3.510 1.00 0.00 C -ATOM 111 CE2 TYR A 7 0.164 -1.204 -4.762 1.00 0.00 C -ATOM 112 CZ TYR A 7 -0.779 -0.203 -4.467 1.00 0.00 C -ATOM 113 OH TYR A 7 -0.718 1.017 -5.107 1.00 0.00 O -ATOM 114 H TYR A 7 -3.644 -4.501 -1.655 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.036 -4.781 -4.153 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.163 -3.803 -1.425 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.020 -4.485 -2.567 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.589 -1.865 -2.132 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.811 -3.211 -4.344 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.513 0.308 -3.267 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.942 -1.026 -5.485 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.415 1.041 -5.766 1.00 0.00 H -ATOM 123 N LYS A 8 -1.935 -7.234 -3.520 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.841 -8.691 -3.147 1.00 0.00 C -ATOM 125 C LYS A 8 -3.130 -9.147 -2.447 1.00 0.00 C -ATOM 126 O LYS A 8 -3.836 -10.006 -2.945 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.629 -8.841 -2.212 1.00 0.00 C -ATOM 128 CG LYS A 8 -0.069 -10.260 -2.328 1.00 0.00 C -ATOM 129 CD LYS A 8 0.793 -10.370 -3.588 1.00 0.00 C -ATOM 130 CE LYS A 8 1.486 -11.735 -3.613 1.00 0.00 C -ATOM 131 NZ LYS A 8 2.360 -11.702 -4.819 1.00 0.00 N -ATOM 132 H LYS A 8 -1.996 -6.982 -4.465 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.684 -9.282 -4.037 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.132 -8.128 -2.493 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.936 -8.659 -1.194 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.534 -10.480 -1.458 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -0.883 -10.965 -2.388 1.00 0.00 H -ATOM 138 HD2 LYS A 8 0.165 -10.268 -4.462 1.00 0.00 H -ATOM 139 HD3 LYS A 8 1.538 -9.590 -3.586 1.00 0.00 H -ATOM 140 HE2 LYS A 8 2.080 -11.870 -2.718 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.758 -12.525 -3.705 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 1.795 -11.438 -5.650 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 2.779 -12.643 -4.967 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 3.117 -11.002 -4.680 1.00 0.00 H -ATOM 145 N GLY A 9 -3.447 -8.584 -1.304 1.00 0.00 N -ATOM 146 CA GLY A 9 -4.693 -8.994 -0.586 1.00 0.00 C -ATOM 147 C GLY A 9 -4.971 -8.046 0.588 1.00 0.00 C -ATOM 148 O GLY A 9 -5.498 -8.453 1.606 1.00 0.00 O -ATOM 149 H GLY A 9 -2.866 -7.894 -0.921 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -5.526 -8.965 -1.273 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.575 -9.998 -0.209 1.00 0.00 H -ATOM 152 N ARG A 10 -4.625 -6.788 0.455 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.874 -5.815 1.567 1.00 0.00 C -ATOM 154 C ARG A 10 -5.191 -4.428 1.001 1.00 0.00 C -ATOM 155 O ARG A 10 -4.376 -3.832 0.328 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.567 -5.770 2.360 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.240 -7.160 2.907 1.00 0.00 C -ATOM 158 CD ARG A 10 -2.047 -7.061 3.860 1.00 0.00 C -ATOM 159 NE ARG A 10 -2.352 -8.011 4.959 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.383 -8.519 5.670 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.648 -9.479 5.178 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.148 -8.066 6.870 1.00 0.00 N -ATOM 163 H ARG A 10 -4.201 -6.484 -0.373 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.677 -6.160 2.199 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.766 -5.442 1.712 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.670 -5.078 3.182 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -4.097 -7.549 3.437 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.992 -7.820 2.089 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.139 -7.348 3.353 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.963 -6.062 4.252 1.00 0.00 H -ATOM 171 HE ARG A 10 -3.277 -8.250 5.152 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -0.827 -9.825 4.257 1.00 0.00 H -ATOM 173 HH12 ARG A 10 0.096 -9.868 5.723 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -1.712 -7.329 7.246 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -0.406 -8.454 7.416 1.00 0.00 H -ATOM 176 N THR A 11 -6.363 -3.904 1.273 1.00 0.00 N -ATOM 177 CA THR A 11 -6.718 -2.545 0.749 1.00 0.00 C -ATOM 178 C THR A 11 -5.881 -1.474 1.460 1.00 0.00 C -ATOM 179 O THR A 11 -5.546 -1.618 2.620 1.00 0.00 O -ATOM 180 CB THR A 11 -8.199 -2.344 1.088 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.961 -3.419 0.561 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.691 -1.017 0.490 1.00 0.00 C -ATOM 183 H THR A 11 -7.005 -4.400 1.823 1.00 0.00 H -ATOM 184 HA THR A 11 -6.575 -2.504 -0.321 1.00 0.00 H -ATOM 185 HB THR A 11 -8.319 -2.312 2.161 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.673 -3.610 1.177 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.349 -0.528 1.192 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.225 -1.213 -0.428 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.846 -0.372 0.282 1.00 0.00 H -ATOM 190 N PHE A 12 -5.560 -0.395 0.786 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.766 0.687 1.444 1.00 0.00 C -ATOM 192 C PHE A 12 -5.603 1.963 1.532 1.00 0.00 C -ATOM 193 O PHE A 12 -6.160 2.421 0.552 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.525 0.894 0.572 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.571 -0.230 0.846 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.844 -1.477 0.306 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.436 -0.034 1.643 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.976 -2.548 0.550 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.561 -1.100 1.885 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.832 -2.359 1.336 1.00 0.00 C -ATOM 201 H PHE A 12 -5.854 -0.292 -0.143 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.464 0.373 2.432 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.797 0.882 -0.479 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.056 1.835 0.819 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.723 -1.605 -0.318 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.236 0.939 2.068 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.189 -3.519 0.138 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.328 -0.948 2.479 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.164 -3.185 1.525 1.00 0.00 H -ATOM 210 N ARG A 13 -5.700 2.532 2.706 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.501 3.780 2.882 1.00 0.00 C -ATOM 212 C ARG A 13 -5.638 4.858 3.542 1.00 0.00 C -ATOM 213 O ARG A 13 -6.108 5.635 4.351 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.672 3.381 3.791 1.00 0.00 C -ATOM 215 CG ARG A 13 -7.144 2.835 5.123 1.00 0.00 C -ATOM 216 CD ARG A 13 -8.315 2.610 6.083 1.00 0.00 C -ATOM 217 NE ARG A 13 -8.710 1.188 5.880 1.00 0.00 N -ATOM 218 CZ ARG A 13 -9.749 0.900 5.144 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -10.880 1.520 5.341 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -9.657 -0.010 4.213 1.00 0.00 N -ATOM 221 H ARG A 13 -5.245 2.134 3.476 1.00 0.00 H -ATOM 222 HA ARG A 13 -6.873 4.125 1.930 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.290 4.248 3.979 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.262 2.621 3.302 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -6.633 1.898 4.950 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -6.457 3.545 5.556 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -7.998 2.772 7.105 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.137 3.262 5.835 1.00 0.00 H -ATOM 229 HE ARG A 13 -8.191 0.471 6.298 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -10.950 2.217 6.055 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -11.676 1.300 4.777 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -8.790 -0.486 4.063 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -10.452 -0.231 3.649 1.00 0.00 H -ATOM 234 N ASN A 14 -4.378 4.901 3.198 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.463 5.919 3.794 1.00 0.00 C -ATOM 236 C ASN A 14 -2.200 6.047 2.937 1.00 0.00 C -ATOM 237 O ASN A 14 -1.551 5.069 2.616 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.139 5.385 5.196 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.099 6.276 5.873 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -0.996 5.848 6.148 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.413 7.505 6.153 1.00 0.00 N -ATOM 242 H ASN A 14 -4.031 4.259 2.542 1.00 0.00 H -ATOM 243 HA ASN A 14 -3.963 6.873 3.869 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -4.041 5.388 5.791 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.758 4.379 5.121 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -3.305 7.840 5.929 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.760 8.092 6.589 1.00 0.00 H -ATOM 248 N GLU A 15 -1.857 7.251 2.564 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.642 7.469 1.717 1.00 0.00 C -ATOM 250 C GLU A 15 0.610 6.940 2.426 1.00 0.00 C -ATOM 251 O GLU A 15 1.507 6.411 1.798 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.557 8.986 1.534 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.062 9.306 0.123 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.329 10.781 -0.189 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -1.472 11.191 -0.075 1.00 0.00 O -ATOM 256 OE2 GLU A 15 0.614 11.474 -0.533 1.00 0.00 O -ATOM 257 H GLU A 15 -2.407 8.017 2.836 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.762 6.990 0.759 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.538 9.418 1.678 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.128 9.398 2.259 1.00 0.00 H -ATOM 261 HG2 GLU A 15 1.000 9.111 0.060 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.585 8.690 -0.592 1.00 0.00 H -ATOM 263 N LYS A 16 0.677 7.083 3.727 1.00 0.00 N -ATOM 264 CA LYS A 16 1.872 6.596 4.480 1.00 0.00 C -ATOM 265 C LYS A 16 2.064 5.095 4.266 1.00 0.00 C -ATOM 266 O LYS A 16 3.157 4.623 4.018 1.00 0.00 O -ATOM 267 CB LYS A 16 1.579 6.894 5.953 1.00 0.00 C -ATOM 268 CG LYS A 16 2.859 7.369 6.645 1.00 0.00 C -ATOM 269 CD LYS A 16 2.554 7.723 8.103 1.00 0.00 C -ATOM 270 CE LYS A 16 2.150 9.197 8.199 1.00 0.00 C -ATOM 271 NZ LYS A 16 3.431 9.936 8.379 1.00 0.00 N -ATOM 272 H LYS A 16 -0.054 7.517 4.207 1.00 0.00 H -ATOM 273 HA LYS A 16 2.738 7.126 4.165 1.00 0.00 H -ATOM 274 HB2 LYS A 16 0.824 7.664 6.021 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.222 5.998 6.438 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.598 6.582 6.613 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.241 8.242 6.138 1.00 0.00 H -ATOM 278 HD2 LYS A 16 1.745 7.103 8.462 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.433 7.553 8.707 1.00 0.00 H -ATOM 280 HE2 LYS A 16 1.657 9.510 7.288 1.00 0.00 H -ATOM 281 HE3 LYS A 16 1.508 9.357 9.051 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 4.077 9.706 7.598 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 3.867 9.658 9.283 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 3.245 10.957 8.383 1.00 0.00 H -ATOM 285 N GLU A 17 1.001 4.356 4.363 1.00 0.00 N -ATOM 286 CA GLU A 17 1.084 2.875 4.170 1.00 0.00 C -ATOM 287 C GLU A 17 1.489 2.551 2.732 1.00 0.00 C -ATOM 288 O GLU A 17 2.472 1.876 2.490 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.327 2.351 4.447 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.686 2.579 5.915 1.00 0.00 C -ATOM 291 CD GLU A 17 0.245 1.753 6.808 1.00 0.00 C -ATOM 292 OE1 GLU A 17 -0.087 0.610 7.078 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.274 2.277 7.202 1.00 0.00 O -ATOM 294 H GLU A 17 0.146 4.782 4.563 1.00 0.00 H -ATOM 295 HA GLU A 17 1.783 2.441 4.867 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.033 2.874 3.819 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.368 1.294 4.229 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.578 3.627 6.152 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.707 2.273 6.084 1.00 0.00 H -ATOM 300 N LEU A 18 0.730 3.024 1.779 1.00 0.00 N -ATOM 301 CA LEU A 18 1.045 2.750 0.340 1.00 0.00 C -ATOM 302 C LEU A 18 2.469 3.200 0.003 1.00 0.00 C -ATOM 303 O LEU A 18 3.230 2.466 -0.599 1.00 0.00 O -ATOM 304 CB LEU A 18 0.005 3.562 -0.451 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.437 2.804 -1.715 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.984 1.412 -1.343 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.532 3.610 -2.419 1.00 0.00 C -ATOM 308 H LEU A 18 -0.058 3.558 2.012 1.00 0.00 H -ATOM 309 HA LEU A 18 0.933 1.700 0.132 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -0.856 3.742 0.176 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.439 4.509 -0.738 1.00 0.00 H -ATOM 312 HG LEU A 18 0.406 2.698 -2.375 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.962 1.300 -0.278 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.371 0.640 -1.794 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -2.001 1.311 -1.690 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.498 3.323 -2.030 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.499 3.411 -3.481 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.373 4.664 -2.246 1.00 0.00 H -ATOM 319 N ARG A 19 2.839 4.391 0.398 1.00 0.00 N -ATOM 320 CA ARG A 19 4.223 4.876 0.108 1.00 0.00 C -ATOM 321 C ARG A 19 5.259 3.960 0.774 1.00 0.00 C -ATOM 322 O ARG A 19 6.412 3.934 0.389 1.00 0.00 O -ATOM 323 CB ARG A 19 4.293 6.282 0.698 1.00 0.00 C -ATOM 324 CG ARG A 19 3.545 7.253 -0.216 1.00 0.00 C -ATOM 325 CD ARG A 19 4.511 7.822 -1.259 1.00 0.00 C -ATOM 326 NE ARG A 19 5.193 8.954 -0.577 1.00 0.00 N -ATOM 327 CZ ARG A 19 6.477 9.135 -0.736 1.00 0.00 C -ATOM 328 NH1 ARG A 19 7.327 8.346 -0.138 1.00 0.00 N -ATOM 329 NH2 ARG A 19 6.909 10.106 -1.492 1.00 0.00 N -ATOM 330 H ARG A 19 2.211 4.959 0.891 1.00 0.00 H -ATOM 331 HA ARG A 19 4.390 4.917 -0.956 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.838 6.284 1.679 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.323 6.587 0.778 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.744 6.729 -0.715 1.00 0.00 H -ATOM 335 HG3 ARG A 19 3.137 8.062 0.372 1.00 0.00 H -ATOM 336 HD2 ARG A 19 5.228 7.070 -1.555 1.00 0.00 H -ATOM 337 HD3 ARG A 19 3.967 8.184 -2.116 1.00 0.00 H -ATOM 338 HE ARG A 19 4.679 9.564 -0.015 1.00 0.00 H -ATOM 339 HH11 ARG A 19 6.998 7.602 0.442 1.00 0.00 H -ATOM 340 HH12 ARG A 19 8.310 8.487 -0.261 1.00 0.00 H -ATOM 341 HH21 ARG A 19 6.258 10.711 -1.950 1.00 0.00 H -ATOM 342 HH22 ARG A 19 7.893 10.246 -1.613 1.00 0.00 H -ATOM 343 N ASP A 20 4.854 3.209 1.773 1.00 0.00 N -ATOM 344 CA ASP A 20 5.811 2.295 2.465 1.00 0.00 C -ATOM 345 C ASP A 20 5.645 0.858 1.958 1.00 0.00 C -ATOM 346 O ASP A 20 6.594 0.098 1.921 1.00 0.00 O -ATOM 347 CB ASP A 20 5.444 2.386 3.946 1.00 0.00 C -ATOM 348 CG ASP A 20 6.705 2.217 4.796 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.369 1.205 4.641 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.985 3.102 5.588 1.00 0.00 O -ATOM 351 H ASP A 20 3.921 3.247 2.068 1.00 0.00 H -ATOM 352 HA ASP A 20 6.825 2.632 2.317 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.999 3.349 4.148 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.739 1.605 4.191 1.00 0.00 H -ATOM 355 N PHE A 21 4.449 0.479 1.569 1.00 0.00 N -ATOM 356 CA PHE A 21 4.234 -0.913 1.069 1.00 0.00 C -ATOM 357 C PHE A 21 4.933 -1.118 -0.282 1.00 0.00 C -ATOM 358 O PHE A 21 5.946 -1.784 -0.372 1.00 0.00 O -ATOM 359 CB PHE A 21 2.721 -1.085 0.911 1.00 0.00 C -ATOM 360 CG PHE A 21 2.476 -2.498 0.452 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.502 -3.524 1.390 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.264 -2.782 -0.903 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.306 -4.848 0.987 1.00 0.00 C -ATOM 364 CE2 PHE A 21 2.072 -4.107 -1.310 1.00 0.00 C -ATOM 365 CZ PHE A 21 2.088 -5.141 -0.364 1.00 0.00 C -ATOM 366 H PHE A 21 3.698 1.108 1.609 1.00 0.00 H -ATOM 367 HA PHE A 21 4.596 -1.634 1.791 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.243 -0.923 1.860 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.326 -0.393 0.192 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.684 -3.287 2.428 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.250 -1.981 -1.636 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.319 -5.644 1.718 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.913 -4.332 -2.354 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.939 -6.163 -0.679 1.00 0.00 H -ATOM 375 N ILE A 22 4.383 -0.559 -1.332 1.00 0.00 N -ATOM 376 CA ILE A 22 4.984 -0.718 -2.698 1.00 0.00 C -ATOM 377 C ILE A 22 6.480 -0.384 -2.656 1.00 0.00 C -ATOM 378 O ILE A 22 7.280 -0.958 -3.370 1.00 0.00 O -ATOM 379 CB ILE A 22 4.228 0.274 -3.593 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.747 -0.121 -3.659 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.808 0.224 -5.009 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.910 0.806 -2.785 1.00 0.00 C -ATOM 383 H ILE A 22 3.567 -0.039 -1.221 1.00 0.00 H -ATOM 384 HA ILE A 22 4.825 -1.725 -3.062 1.00 0.00 H -ATOM 385 HB ILE A 22 4.325 1.273 -3.194 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.402 -0.049 -4.678 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.632 -1.133 -3.315 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.387 1.024 -5.598 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.557 -0.725 -5.457 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.880 0.332 -4.964 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.652 0.296 -1.867 1.00 0.00 H -ATOM 392 HD12 ILE A 22 1.008 1.073 -3.311 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.472 1.698 -2.557 1.00 0.00 H -ATOM 394 N GLU A 23 6.851 0.534 -1.805 1.00 0.00 N -ATOM 395 CA GLU A 23 8.292 0.911 -1.686 1.00 0.00 C -ATOM 396 C GLU A 23 9.071 -0.242 -1.050 1.00 0.00 C -ATOM 397 O GLU A 23 10.239 -0.443 -1.326 1.00 0.00 O -ATOM 398 CB GLU A 23 8.315 2.143 -0.778 1.00 0.00 C -ATOM 399 CG GLU A 23 9.750 2.663 -0.658 1.00 0.00 C -ATOM 400 CD GLU A 23 9.743 4.025 0.039 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.486 4.056 1.231 1.00 0.00 O -ATOM 402 OE2 GLU A 23 9.994 5.012 -0.632 1.00 0.00 O -ATOM 403 H GLU A 23 6.178 0.967 -1.236 1.00 0.00 H -ATOM 404 HA GLU A 23 8.700 1.153 -2.654 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.686 2.913 -1.202 1.00 0.00 H -ATOM 406 HB3 GLU A 23 7.948 1.876 0.201 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.337 1.965 -0.080 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.178 2.767 -1.643 1.00 0.00 H -ATOM 409 N LYS A 24 8.423 -1.007 -0.208 1.00 0.00 N -ATOM 410 CA LYS A 24 9.106 -2.160 0.446 1.00 0.00 C -ATOM 411 C LYS A 24 8.887 -3.426 -0.384 1.00 0.00 C -ATOM 412 O LYS A 24 9.815 -4.158 -0.674 1.00 0.00 O -ATOM 413 CB LYS A 24 8.435 -2.291 1.816 1.00 0.00 C -ATOM 414 CG LYS A 24 9.031 -1.265 2.791 1.00 0.00 C -ATOM 415 CD LYS A 24 9.897 -1.979 3.833 1.00 0.00 C -ATOM 416 CE LYS A 24 9.000 -2.572 4.921 1.00 0.00 C -ATOM 417 NZ LYS A 24 9.918 -2.873 6.054 1.00 0.00 N -ATOM 418 H LYS A 24 7.482 -0.826 -0.010 1.00 0.00 H -ATOM 419 HA LYS A 24 10.159 -1.961 0.566 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.374 -2.112 1.711 1.00 0.00 H -ATOM 421 HB3 LYS A 24 8.594 -3.289 2.199 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.636 -0.554 2.246 1.00 0.00 H -ATOM 423 HG3 LYS A 24 8.230 -0.742 3.292 1.00 0.00 H -ATOM 424 HD2 LYS A 24 10.457 -2.769 3.355 1.00 0.00 H -ATOM 425 HD3 LYS A 24 10.580 -1.272 4.279 1.00 0.00 H -ATOM 426 HE2 LYS A 24 8.249 -1.854 5.221 1.00 0.00 H -ATOM 427 HE3 LYS A 24 8.535 -3.481 4.572 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 9.366 -3.201 6.872 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 10.442 -2.012 6.312 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 10.588 -3.615 5.771 1.00 0.00 H -ATOM 431 N PHE A 25 7.662 -3.682 -0.771 1.00 0.00 N -ATOM 432 CA PHE A 25 7.365 -4.886 -1.583 1.00 0.00 C -ATOM 433 C PHE A 25 6.965 -4.479 -3.006 1.00 0.00 C -ATOM 434 O PHE A 25 5.832 -4.655 -3.416 1.00 0.00 O -ATOM 435 CB PHE A 25 6.202 -5.571 -0.866 1.00 0.00 C -ATOM 436 CG PHE A 25 5.844 -6.843 -1.594 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.734 -7.921 -1.594 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.624 -6.941 -2.271 1.00 0.00 C -ATOM 439 CE1 PHE A 25 6.405 -9.102 -2.270 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.293 -8.120 -2.949 1.00 0.00 C -ATOM 441 CZ PHE A 25 5.183 -9.201 -2.947 1.00 0.00 C -ATOM 442 H PHE A 25 6.940 -3.082 -0.527 1.00 0.00 H -ATOM 443 HA PHE A 25 8.216 -5.530 -1.598 1.00 0.00 H -ATOM 444 HB2 PHE A 25 6.491 -5.806 0.149 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.346 -4.913 -0.853 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.677 -7.841 -1.073 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.941 -6.104 -2.272 1.00 0.00 H -ATOM 448 HE1 PHE A 25 7.093 -9.934 -2.270 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.351 -8.196 -3.470 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.928 -10.112 -3.471 1.00 0.00 H -ATOM 451 N LYS A 26 7.889 -3.943 -3.761 1.00 0.00 N -ATOM 452 CA LYS A 26 7.571 -3.525 -5.163 1.00 0.00 C -ATOM 453 C LYS A 26 7.068 -4.717 -5.984 1.00 0.00 C -ATOM 454 O LYS A 26 6.397 -4.554 -6.985 1.00 0.00 O -ATOM 455 CB LYS A 26 8.886 -2.998 -5.739 1.00 0.00 C -ATOM 456 CG LYS A 26 8.941 -1.476 -5.589 1.00 0.00 C -ATOM 457 CD LYS A 26 9.630 -0.863 -6.811 1.00 0.00 C -ATOM 458 CE LYS A 26 9.421 0.658 -6.817 1.00 0.00 C -ATOM 459 NZ LYS A 26 10.772 1.237 -6.575 1.00 0.00 N -ATOM 460 H LYS A 26 8.793 -3.816 -3.403 1.00 0.00 H -ATOM 461 HA LYS A 26 6.834 -2.747 -5.158 1.00 0.00 H -ATOM 462 HB2 LYS A 26 9.714 -3.444 -5.206 1.00 0.00 H -ATOM 463 HB3 LYS A 26 8.950 -3.259 -6.786 1.00 0.00 H -ATOM 464 HG2 LYS A 26 7.936 -1.085 -5.510 1.00 0.00 H -ATOM 465 HG3 LYS A 26 9.497 -1.221 -4.700 1.00 0.00 H -ATOM 466 HD2 LYS A 26 10.688 -1.084 -6.774 1.00 0.00 H -ATOM 467 HD3 LYS A 26 9.206 -1.285 -7.710 1.00 0.00 H -ATOM 468 HE2 LYS A 26 9.040 0.978 -7.777 1.00 0.00 H -ATOM 469 HE3 LYS A 26 8.747 0.951 -6.027 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.426 0.914 -7.316 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 11.121 0.924 -5.645 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 10.714 2.274 -6.594 1.00 0.00 H -ATOM 473 N GLY A 27 7.389 -5.909 -5.561 1.00 0.00 N -ATOM 474 CA GLY A 27 6.938 -7.123 -6.304 1.00 0.00 C -ATOM 475 C GLY A 27 7.550 -7.123 -7.705 1.00 0.00 C -ATOM 476 O GLY A 27 6.933 -6.690 -8.660 1.00 0.00 O -ATOM 477 H GLY A 27 7.928 -6.004 -4.754 1.00 0.00 H -ATOM 478 HA2 GLY A 27 7.254 -8.009 -5.771 1.00 0.00 H -ATOM 479 HA3 GLY A 27 5.861 -7.117 -6.384 1.00 0.00 H -ATOM 480 N ARG A 28 8.760 -7.606 -7.831 1.00 0.00 N -ATOM 481 CA ARG A 28 9.423 -7.638 -9.170 1.00 0.00 C -ATOM 482 C ARG A 28 8.885 -8.806 -10.003 1.00 0.00 C -ATOM 483 O ARG A 28 9.079 -8.789 -11.208 1.00 0.00 O -ATOM 484 CB ARG A 28 10.918 -7.823 -8.880 1.00 0.00 C -ATOM 485 CG ARG A 28 11.151 -9.126 -8.096 1.00 0.00 C -ATOM 486 CD ARG A 28 12.160 -10.007 -8.842 1.00 0.00 C -ATOM 487 NE ARG A 28 13.103 -10.489 -7.794 1.00 0.00 N -ATOM 488 CZ ARG A 28 14.347 -10.735 -8.099 1.00 0.00 C -ATOM 489 NH1 ARG A 28 14.630 -11.479 -9.134 1.00 0.00 N -ATOM 490 NH2 ARG A 28 15.310 -10.238 -7.371 1.00 0.00 N -ATOM 491 OXT ARG A 28 8.289 -9.698 -9.421 1.00 0.00 O -ATOM 492 H ARG A 28 9.232 -7.948 -7.043 1.00 0.00 H -ATOM 493 HA ARG A 28 9.262 -6.706 -9.688 1.00 0.00 H -ATOM 494 HB2 ARG A 28 11.460 -7.856 -9.814 1.00 0.00 H -ATOM 495 HB3 ARG A 28 11.272 -6.987 -8.292 1.00 0.00 H -ATOM 496 HG2 ARG A 28 11.537 -8.889 -7.115 1.00 0.00 H -ATOM 497 HG3 ARG A 28 10.218 -9.660 -7.995 1.00 0.00 H -ATOM 498 HD2 ARG A 28 11.654 -10.842 -9.308 1.00 0.00 H -ATOM 499 HD3 ARG A 28 12.694 -9.429 -9.580 1.00 0.00 H -ATOM 500 HE ARG A 28 12.788 -10.621 -6.875 1.00 0.00 H -ATOM 501 HH11 ARG A 28 13.894 -11.861 -9.691 1.00 0.00 H -ATOM 502 HH12 ARG A 28 15.584 -11.667 -9.368 1.00 0.00 H -ATOM 503 HH21 ARG A 28 15.093 -9.669 -6.579 1.00 0.00 H -ATOM 504 HH22 ARG A 28 16.262 -10.426 -7.606 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 22 -ATOM 1 N GLU A 1 -10.714 7.472 5.926 1.00 0.00 N -ATOM 2 CA GLU A 1 -11.608 7.176 4.768 1.00 0.00 C -ATOM 3 C GLU A 1 -10.975 7.687 3.470 1.00 0.00 C -ATOM 4 O GLU A 1 -11.125 8.838 3.108 1.00 0.00 O -ATOM 5 CB GLU A 1 -12.905 7.931 5.066 1.00 0.00 C -ATOM 6 CG GLU A 1 -13.942 6.965 5.641 1.00 0.00 C -ATOM 7 CD GLU A 1 -15.348 7.480 5.325 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -15.816 8.346 6.044 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.932 6.998 4.368 1.00 0.00 O -ATOM 10 H1 GLU A 1 -10.692 8.497 6.094 1.00 0.00 H -ATOM 11 H2 GLU A 1 -9.752 7.133 5.716 1.00 0.00 H -ATOM 12 H3 GLU A 1 -11.075 6.992 6.774 1.00 0.00 H -ATOM 13 HA GLU A 1 -11.801 6.117 4.703 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -12.707 8.715 5.783 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -13.286 8.365 4.154 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -13.808 5.988 5.200 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -13.819 6.897 6.712 1.00 0.00 H -ATOM 18 N GLN A 2 -10.268 6.835 2.772 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.619 7.258 1.494 1.00 0.00 C -ATOM 20 C GLN A 2 -9.775 6.161 0.439 1.00 0.00 C -ATOM 21 O GLN A 2 -10.577 5.259 0.578 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.139 7.465 1.845 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.784 8.951 1.737 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.829 9.382 0.269 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -8.572 8.827 -0.516 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -7.060 10.356 -0.137 1.00 0.00 N -ATOM 27 H GLN A 2 -10.164 5.914 3.088 1.00 0.00 H -ATOM 28 HA GLN A 2 -10.049 8.180 1.139 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -7.956 7.125 2.855 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.523 6.902 1.161 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -8.494 9.533 2.306 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -6.790 9.113 2.127 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -6.461 10.803 0.496 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -7.082 10.639 -1.075 1.00 0.00 H -ATOM 35 N TYR A 3 -9.010 6.242 -0.621 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.089 5.218 -1.714 1.00 0.00 C -ATOM 37 C TYR A 3 -9.068 3.787 -1.162 1.00 0.00 C -ATOM 38 O TYR A 3 -8.648 3.547 -0.046 1.00 0.00 O -ATOM 39 CB TYR A 3 -7.868 5.470 -2.612 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.613 5.610 -1.783 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.125 4.531 -1.040 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -5.946 6.837 -1.756 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -4.973 4.681 -0.271 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.793 6.989 -0.986 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.302 5.909 -0.242 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.159 6.055 0.520 1.00 0.00 O -ATOM 47 H TYR A 3 -8.380 6.988 -0.704 1.00 0.00 H -ATOM 48 HA TYR A 3 -9.978 5.372 -2.286 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -7.752 4.648 -3.300 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.027 6.383 -3.166 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.633 3.580 -1.057 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.324 7.669 -2.330 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.603 3.851 0.300 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.283 7.936 -0.965 1.00 0.00 H -ATOM 55 HH TYR A 3 -3.140 6.953 0.860 1.00 0.00 H -ATOM 56 N THR A 4 -9.524 2.840 -1.944 1.00 0.00 N -ATOM 57 CA THR A 4 -9.541 1.419 -1.484 1.00 0.00 C -ATOM 58 C THR A 4 -8.477 0.608 -2.229 1.00 0.00 C -ATOM 59 O THR A 4 -8.665 -0.555 -2.527 1.00 0.00 O -ATOM 60 CB THR A 4 -10.943 0.909 -1.827 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.901 1.910 -1.513 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.242 -0.354 -1.020 1.00 0.00 C -ATOM 63 H THR A 4 -9.857 3.065 -2.838 1.00 0.00 H -ATOM 64 HA THR A 4 -9.381 1.366 -0.419 1.00 0.00 H -ATOM 65 HB THR A 4 -10.995 0.678 -2.880 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.916 2.018 -0.559 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.218 -0.122 0.035 1.00 0.00 H -ATOM 68 HG22 THR A 4 -10.500 -1.107 -1.239 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.222 -0.726 -1.284 1.00 0.00 H -ATOM 70 N ALA A 5 -7.357 1.220 -2.535 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.265 0.501 -3.266 1.00 0.00 C -ATOM 72 C ALA A 5 -5.921 -0.820 -2.584 1.00 0.00 C -ATOM 73 O ALA A 5 -5.593 -0.843 -1.418 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.056 1.426 -3.191 1.00 0.00 C -ATOM 75 H ALA A 5 -7.238 2.156 -2.288 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.542 0.342 -4.293 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.386 2.448 -3.091 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.471 1.318 -4.092 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.450 1.151 -2.332 1.00 0.00 H -ATOM 80 N LYS A 6 -5.971 -1.905 -3.307 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.631 -3.228 -2.695 1.00 0.00 C -ATOM 82 C LYS A 6 -4.350 -3.796 -3.304 1.00 0.00 C -ATOM 83 O LYS A 6 -4.102 -3.679 -4.489 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.821 -4.150 -2.979 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.133 -4.176 -4.478 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.650 -5.562 -4.867 1.00 0.00 C -ATOM 87 CE LYS A 6 -7.274 -5.860 -6.320 1.00 0.00 C -ATOM 88 NZ LYS A 6 -7.099 -7.339 -6.376 1.00 0.00 N -ATOM 89 H LYS A 6 -6.218 -1.847 -4.251 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.509 -3.118 -1.633 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.577 -5.148 -2.646 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.685 -3.794 -2.440 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.887 -3.435 -4.700 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.238 -3.957 -5.038 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.205 -6.306 -4.220 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.723 -5.590 -4.762 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -8.069 -5.547 -6.983 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -6.350 -5.368 -6.579 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -8.024 -7.802 -6.268 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -6.469 -7.643 -5.607 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -6.682 -7.603 -7.292 1.00 0.00 H -ATOM 102 N TYR A 7 -3.533 -4.406 -2.488 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.253 -4.990 -2.986 1.00 0.00 C -ATOM 104 C TYR A 7 -2.099 -6.420 -2.471 1.00 0.00 C -ATOM 105 O TYR A 7 -2.018 -6.652 -1.280 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.151 -4.108 -2.416 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.190 -2.776 -3.092 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.186 -1.859 -2.766 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.220 -2.465 -4.036 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.218 -0.615 -3.392 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.237 -1.224 -4.668 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.239 -0.290 -4.349 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.262 0.941 -4.971 1.00 0.00 O -ATOM 114 H TYR A 7 -3.765 -4.480 -1.538 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.218 -4.960 -4.064 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.293 -3.976 -1.361 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.196 -4.565 -2.595 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.934 -2.116 -2.033 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.540 -3.190 -4.282 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.987 0.099 -3.124 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.527 -0.984 -5.392 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.152 0.799 -5.914 1.00 0.00 H -ATOM 123 N LYS A 8 -2.060 -7.381 -3.358 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.914 -8.815 -2.932 1.00 0.00 C -ATOM 125 C LYS A 8 -2.943 -9.177 -1.846 1.00 0.00 C -ATOM 126 O LYS A 8 -2.738 -10.092 -1.070 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.492 -8.926 -2.375 1.00 0.00 C -ATOM 128 CG LYS A 8 0.444 -9.480 -3.452 1.00 0.00 C -ATOM 129 CD LYS A 8 0.443 -11.009 -3.393 1.00 0.00 C -ATOM 130 CE LYS A 8 1.272 -11.568 -4.553 1.00 0.00 C -ATOM 131 NZ LYS A 8 2.675 -11.169 -4.251 1.00 0.00 N -ATOM 132 H LYS A 8 -2.127 -7.161 -4.310 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.025 -9.469 -3.782 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.149 -7.947 -2.069 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.489 -9.590 -1.524 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.102 -9.156 -4.426 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.445 -9.116 -3.282 1.00 0.00 H -ATOM 138 HD2 LYS A 8 0.870 -11.333 -2.455 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -0.571 -11.372 -3.471 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.184 -12.645 -4.591 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.956 -11.129 -5.486 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 2.903 -11.425 -3.267 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 2.778 -10.143 -4.375 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 3.322 -11.661 -4.897 1.00 0.00 H -ATOM 145 N GLY A 9 -4.045 -8.468 -1.792 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.087 -8.769 -0.764 1.00 0.00 C -ATOM 147 C GLY A 9 -4.933 -7.825 0.435 1.00 0.00 C -ATOM 148 O GLY A 9 -5.112 -8.223 1.571 1.00 0.00 O -ATOM 149 H GLY A 9 -4.189 -7.739 -2.431 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.067 -8.638 -1.200 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.976 -9.789 -0.429 1.00 0.00 H -ATOM 152 N ARG A 10 -4.604 -6.580 0.190 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.440 -5.606 1.315 1.00 0.00 C -ATOM 154 C ARG A 10 -4.884 -4.208 0.872 1.00 0.00 C -ATOM 155 O ARG A 10 -4.198 -3.549 0.113 1.00 0.00 O -ATOM 156 CB ARG A 10 -2.942 -5.606 1.632 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.498 -7.012 2.041 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.048 -6.965 2.530 1.00 0.00 C -ATOM 159 NE ARG A 10 -0.844 -8.249 3.252 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.384 -8.246 4.474 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -1.198 -8.060 5.477 1.00 0.00 N -ATOM 162 NH2 ARG A 10 0.889 -8.429 4.692 1.00 0.00 N -ATOM 163 H ARG A 10 -4.466 -6.286 -0.734 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.000 -5.926 2.179 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.390 -5.295 0.757 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.746 -4.920 2.443 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.135 -7.376 2.834 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.566 -7.674 1.190 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.373 -6.894 1.688 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -0.904 -6.135 3.201 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.054 -9.099 2.811 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -2.173 -7.920 5.311 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -0.844 -8.057 6.413 1.00 0.00 H -ATOM 174 HH21 ARG A 10 1.512 -8.573 3.923 1.00 0.00 H -ATOM 175 HH22 ARG A 10 1.242 -8.425 5.628 1.00 0.00 H -ATOM 176 N THR A 11 -6.024 -3.750 1.339 1.00 0.00 N -ATOM 177 CA THR A 11 -6.505 -2.393 0.932 1.00 0.00 C -ATOM 178 C THR A 11 -5.663 -1.296 1.596 1.00 0.00 C -ATOM 179 O THR A 11 -5.000 -1.529 2.589 1.00 0.00 O -ATOM 180 CB THR A 11 -7.953 -2.299 1.408 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.695 -3.394 0.890 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.556 -0.980 0.909 1.00 0.00 C -ATOM 183 H THR A 11 -6.559 -4.298 1.949 1.00 0.00 H -ATOM 184 HA THR A 11 -6.473 -2.299 -0.136 1.00 0.00 H -ATOM 185 HB THR A 11 -7.982 -2.317 2.487 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.557 -3.393 1.312 1.00 0.00 H -ATOM 187 HG21 THR A 11 -8.424 -0.217 1.660 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.608 -1.116 0.713 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.054 -0.676 0.000 1.00 0.00 H -ATOM 190 N PHE A 12 -5.697 -0.099 1.057 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.911 1.019 1.657 1.00 0.00 C -ATOM 192 C PHE A 12 -5.798 2.243 1.882 1.00 0.00 C -ATOM 193 O PHE A 12 -6.463 2.715 0.982 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.801 1.329 0.648 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.692 0.352 0.862 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.759 -0.875 0.218 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.611 0.658 1.704 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.745 -1.814 0.404 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.588 -0.284 1.885 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.656 -1.518 1.232 1.00 0.00 C -ATOM 201 H PHE A 12 -6.244 0.062 0.261 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.473 0.703 2.591 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.175 1.224 -0.372 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.435 2.332 0.804 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.600 -1.091 -0.436 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.566 1.615 2.210 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.800 -2.764 -0.089 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.260 -0.053 2.513 1.00 0.00 H -ATOM 209 HZ PHE A 12 0.127 -2.248 1.375 1.00 0.00 H -ATOM 210 N ARG A 13 -5.801 2.760 3.082 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.629 3.961 3.390 1.00 0.00 C -ATOM 212 C ARG A 13 -5.738 5.049 3.990 1.00 0.00 C -ATOM 213 O ARG A 13 -6.136 5.772 4.883 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.663 3.485 4.411 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.990 3.189 3.703 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.631 1.939 4.313 1.00 0.00 C -ATOM 217 NE ARG A 13 -11.029 1.936 3.802 1.00 0.00 N -ATOM 218 CZ ARG A 13 -12.030 1.852 4.636 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.135 0.820 5.428 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -12.926 2.800 4.677 1.00 0.00 N -ATOM 221 H ARG A 13 -5.249 2.357 3.785 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.121 4.321 2.500 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.302 2.588 4.895 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -7.817 4.255 5.153 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.657 4.031 3.825 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.810 3.021 2.652 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -9.107 1.053 3.986 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.631 2.002 5.390 1.00 0.00 H -ATOM 229 HE ARG A 13 -11.197 1.994 2.839 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -11.448 0.094 5.396 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -12.901 0.757 6.066 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -12.845 3.590 4.071 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -13.693 2.736 5.316 1.00 0.00 H -ATOM 234 N ASN A 14 -4.528 5.158 3.503 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.586 6.190 4.035 1.00 0.00 C -ATOM 236 C ASN A 14 -2.354 6.287 3.132 1.00 0.00 C -ATOM 237 O ASN A 14 -1.783 5.286 2.739 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.197 5.692 5.432 1.00 0.00 C -ATOM 239 CG ASN A 14 -3.253 6.853 6.428 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -4.306 7.180 6.939 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.156 7.494 6.728 1.00 0.00 N -ATOM 242 H ASN A 14 -4.238 4.555 2.783 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.079 7.147 4.105 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.884 4.919 5.743 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.194 5.292 5.407 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -1.306 7.232 6.318 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -2.183 8.238 7.366 1.00 0.00 H -ATOM 248 N GLU A 15 -1.945 7.484 2.801 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.750 7.656 1.918 1.00 0.00 C -ATOM 250 C GLU A 15 0.506 7.111 2.605 1.00 0.00 C -ATOM 251 O GLU A 15 1.340 6.482 1.982 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.631 9.166 1.695 1.00 0.00 C -ATOM 253 CG GLU A 15 0.055 9.437 0.354 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.259 10.863 -0.101 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -0.109 11.767 0.705 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -0.643 11.028 -1.247 1.00 0.00 O -ATOM 257 H GLU A 15 -2.427 8.270 3.133 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.907 7.157 0.975 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.618 9.606 1.690 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.046 9.603 2.490 1.00 0.00 H -ATOM 261 HG2 GLU A 15 1.122 9.320 0.466 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.309 8.738 -0.384 1.00 0.00 H -ATOM 263 N LYS A 16 0.650 7.354 3.884 1.00 0.00 N -ATOM 264 CA LYS A 16 1.855 6.862 4.622 1.00 0.00 C -ATOM 265 C LYS A 16 2.007 5.347 4.477 1.00 0.00 C -ATOM 266 O LYS A 16 3.094 4.833 4.291 1.00 0.00 O -ATOM 267 CB LYS A 16 1.612 7.231 6.088 1.00 0.00 C -ATOM 268 CG LYS A 16 2.847 6.871 6.918 1.00 0.00 C -ATOM 269 CD LYS A 16 2.446 6.698 8.386 1.00 0.00 C -ATOM 270 CE LYS A 16 3.278 5.577 9.016 1.00 0.00 C -ATOM 271 NZ LYS A 16 3.416 5.960 10.449 1.00 0.00 N -ATOM 272 H LYS A 16 -0.031 7.868 4.359 1.00 0.00 H -ATOM 273 HA LYS A 16 2.727 7.356 4.264 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.421 8.291 6.165 1.00 0.00 H -ATOM 275 HB3 LYS A 16 0.758 6.682 6.459 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.271 5.949 6.548 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.577 7.662 6.838 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.623 7.622 8.918 1.00 0.00 H -ATOM 279 HD3 LYS A 16 1.399 6.443 8.446 1.00 0.00 H -ATOM 280 HE2 LYS A 16 2.762 4.631 8.925 1.00 0.00 H -ATOM 281 HE3 LYS A 16 4.250 5.524 8.552 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 3.967 5.235 10.950 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 2.472 6.038 10.880 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 3.907 6.874 10.520 1.00 0.00 H -ATOM 285 N GLU A 17 0.921 4.643 4.569 1.00 0.00 N -ATOM 286 CA GLU A 17 0.965 3.151 4.449 1.00 0.00 C -ATOM 287 C GLU A 17 1.364 2.734 3.033 1.00 0.00 C -ATOM 288 O GLU A 17 2.427 2.188 2.809 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.464 2.681 4.739 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.803 2.920 6.208 1.00 0.00 C -ATOM 291 CD GLU A 17 0.087 2.044 7.092 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.189 0.862 6.808 1.00 0.00 O -ATOM 293 OE2 GLU A 17 0.651 2.569 8.037 1.00 0.00 O -ATOM 294 H GLU A 17 0.073 5.102 4.723 1.00 0.00 H -ATOM 295 HA GLU A 17 1.646 2.734 5.172 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.155 3.232 4.118 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.546 1.627 4.520 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.643 3.959 6.449 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.838 2.665 6.378 1.00 0.00 H -ATOM 300 N LEU A 18 0.500 2.973 2.082 1.00 0.00 N -ATOM 301 CA LEU A 18 0.783 2.580 0.667 1.00 0.00 C -ATOM 302 C LEU A 18 2.149 3.097 0.203 1.00 0.00 C -ATOM 303 O LEU A 18 2.887 2.392 -0.461 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.349 3.214 -0.146 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.433 2.560 -1.524 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.876 1.100 -1.384 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.451 3.315 -2.381 1.00 0.00 C -ATOM 308 H LEU A 18 -0.352 3.398 2.305 1.00 0.00 H -ATOM 309 HA LEU A 18 0.750 1.513 0.574 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.286 3.074 0.374 1.00 0.00 H -ATOM 311 HB3 LEU A 18 -0.159 4.270 -0.264 1.00 0.00 H -ATOM 312 HG LEU A 18 0.535 2.602 -1.997 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.530 0.695 -0.455 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.464 0.523 -2.183 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.954 1.044 -1.420 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.449 2.999 -2.114 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.272 3.101 -3.424 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.351 4.376 -2.208 1.00 0.00 H -ATOM 319 N ARG A 19 2.496 4.308 0.553 1.00 0.00 N -ATOM 320 CA ARG A 19 3.826 4.851 0.136 1.00 0.00 C -ATOM 321 C ARG A 19 4.951 3.978 0.707 1.00 0.00 C -ATOM 322 O ARG A 19 6.064 3.989 0.216 1.00 0.00 O -ATOM 323 CB ARG A 19 3.894 6.263 0.719 1.00 0.00 C -ATOM 324 CG ARG A 19 2.990 7.202 -0.087 1.00 0.00 C -ATOM 325 CD ARG A 19 3.834 8.015 -1.074 1.00 0.00 C -ATOM 326 NE ARG A 19 4.032 9.335 -0.413 1.00 0.00 N -ATOM 327 CZ ARG A 19 4.925 9.466 0.530 1.00 0.00 C -ATOM 328 NH1 ARG A 19 4.680 9.010 1.729 1.00 0.00 N -ATOM 329 NH2 ARG A 19 6.063 10.052 0.275 1.00 0.00 N -ATOM 330 H ARG A 19 1.889 4.855 1.095 1.00 0.00 H -ATOM 331 HA ARG A 19 3.894 4.891 -0.940 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.565 6.241 1.748 1.00 0.00 H -ATOM 333 HB3 ARG A 19 4.911 6.619 0.675 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.258 6.622 -0.630 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.483 7.876 0.587 1.00 0.00 H -ATOM 336 HD2 ARG A 19 4.785 7.528 -1.242 1.00 0.00 H -ATOM 337 HD3 ARG A 19 3.305 8.143 -2.005 1.00 0.00 H -ATOM 338 HE ARG A 19 3.491 10.106 -0.686 1.00 0.00 H -ATOM 339 HH11 ARG A 19 3.809 8.562 1.925 1.00 0.00 H -ATOM 340 HH12 ARG A 19 5.365 9.111 2.451 1.00 0.00 H -ATOM 341 HH21 ARG A 19 6.251 10.401 -0.643 1.00 0.00 H -ATOM 342 HH22 ARG A 19 6.747 10.152 0.998 1.00 0.00 H -ATOM 343 N ASP A 20 4.667 3.224 1.743 1.00 0.00 N -ATOM 344 CA ASP A 20 5.711 2.349 2.352 1.00 0.00 C -ATOM 345 C ASP A 20 5.531 0.889 1.910 1.00 0.00 C -ATOM 346 O ASP A 20 6.419 0.075 2.087 1.00 0.00 O -ATOM 347 CB ASP A 20 5.494 2.478 3.860 1.00 0.00 C -ATOM 348 CG ASP A 20 6.225 3.718 4.378 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.321 3.975 3.908 1.00 0.00 O -ATOM 350 OD2 ASP A 20 5.676 4.391 5.235 1.00 0.00 O -ATOM 351 H ASP A 20 3.764 3.233 2.123 1.00 0.00 H -ATOM 352 HA ASP A 20 6.696 2.703 2.094 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.435 2.571 4.065 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.881 1.601 4.357 1.00 0.00 H -ATOM 355 N PHE A 21 4.395 0.546 1.346 1.00 0.00 N -ATOM 356 CA PHE A 21 4.171 -0.867 0.910 1.00 0.00 C -ATOM 357 C PHE A 21 4.833 -1.146 -0.450 1.00 0.00 C -ATOM 358 O PHE A 21 5.836 -1.827 -0.530 1.00 0.00 O -ATOM 359 CB PHE A 21 2.654 -1.032 0.804 1.00 0.00 C -ATOM 360 CG PHE A 21 2.383 -2.442 0.348 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.420 -3.470 1.282 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.134 -2.718 -1.001 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.197 -4.791 0.879 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.913 -4.037 -1.408 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.940 -5.076 -0.467 1.00 0.00 C -ATOM 366 H PHE A 21 3.688 1.211 1.217 1.00 0.00 H -ATOM 367 HA PHE A 21 4.545 -1.557 1.656 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.213 -0.874 1.769 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.237 -0.329 0.104 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.636 -3.238 2.315 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.114 -1.915 -1.727 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.218 -5.589 1.607 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.725 -4.255 -2.448 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.769 -6.094 -0.781 1.00 0.00 H -ATOM 375 N ILE A 22 4.250 -0.643 -1.518 1.00 0.00 N -ATOM 376 CA ILE A 22 4.801 -0.885 -2.898 1.00 0.00 C -ATOM 377 C ILE A 22 6.315 -0.657 -2.914 1.00 0.00 C -ATOM 378 O ILE A 22 7.048 -1.303 -3.641 1.00 0.00 O -ATOM 379 CB ILE A 22 4.084 0.127 -3.802 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.592 -0.220 -3.862 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.658 0.050 -5.218 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.793 0.736 -2.988 1.00 0.00 C -ATOM 383 H ILE A 22 3.437 -0.119 -1.409 1.00 0.00 H -ATOM 384 HA ILE A 22 4.558 -1.887 -3.225 1.00 0.00 H -ATOM 385 HB ILE A 22 4.216 1.123 -3.407 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.242 -0.147 -4.881 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.445 -1.227 -3.507 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.196 0.804 -5.835 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.454 -0.928 -5.627 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.725 0.212 -5.183 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.489 0.221 -2.086 1.00 0.00 H -ATOM 392 HD12 ILE A 22 0.916 1.063 -3.525 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.400 1.592 -2.730 1.00 0.00 H -ATOM 394 N GLU A 23 6.774 0.245 -2.095 1.00 0.00 N -ATOM 395 CA GLU A 23 8.240 0.518 -2.027 1.00 0.00 C -ATOM 396 C GLU A 23 8.935 -0.665 -1.352 1.00 0.00 C -ATOM 397 O GLU A 23 9.966 -1.131 -1.799 1.00 0.00 O -ATOM 398 CB GLU A 23 8.382 1.787 -1.185 1.00 0.00 C -ATOM 399 CG GLU A 23 9.855 2.199 -1.126 1.00 0.00 C -ATOM 400 CD GLU A 23 10.213 2.998 -2.381 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.045 2.467 -3.466 1.00 0.00 O -ATOM 402 OE2 GLU A 23 10.648 4.129 -2.235 1.00 0.00 O -ATOM 403 H GLU A 23 6.149 0.734 -1.513 1.00 0.00 H -ATOM 404 HA GLU A 23 8.639 0.673 -3.016 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.802 2.581 -1.633 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.023 1.598 -0.186 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.022 2.808 -0.250 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.474 1.317 -1.075 1.00 0.00 H -ATOM 409 N LYS A 24 8.357 -1.165 -0.289 1.00 0.00 N -ATOM 410 CA LYS A 24 8.957 -2.338 0.411 1.00 0.00 C -ATOM 411 C LYS A 24 8.735 -3.587 -0.441 1.00 0.00 C -ATOM 412 O LYS A 24 9.633 -4.380 -0.650 1.00 0.00 O -ATOM 413 CB LYS A 24 8.205 -2.448 1.740 1.00 0.00 C -ATOM 414 CG LYS A 24 8.897 -3.478 2.635 1.00 0.00 C -ATOM 415 CD LYS A 24 7.861 -4.141 3.545 1.00 0.00 C -ATOM 416 CE LYS A 24 8.464 -5.398 4.176 1.00 0.00 C -ATOM 417 NZ LYS A 24 7.336 -6.042 4.903 1.00 0.00 N -ATOM 418 H LYS A 24 7.516 -0.779 0.035 1.00 0.00 H -ATOM 419 HA LYS A 24 10.010 -2.178 0.587 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.201 -1.486 2.231 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.189 -2.762 1.553 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.372 -4.228 2.022 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.641 -2.984 3.242 1.00 0.00 H -ATOM 424 HD2 LYS A 24 7.571 -3.450 4.323 1.00 0.00 H -ATOM 425 HD3 LYS A 24 6.993 -4.414 2.963 1.00 0.00 H -ATOM 426 HE2 LYS A 24 8.847 -6.056 3.408 1.00 0.00 H -ATOM 427 HE3 LYS A 24 9.247 -5.132 4.869 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 6.597 -6.314 4.225 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 6.942 -5.373 5.596 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 7.680 -6.890 5.397 1.00 0.00 H -ATOM 431 N PHE A 25 7.536 -3.756 -0.943 1.00 0.00 N -ATOM 432 CA PHE A 25 7.232 -4.939 -1.798 1.00 0.00 C -ATOM 433 C PHE A 25 8.152 -4.940 -3.037 1.00 0.00 C -ATOM 434 O PHE A 25 9.240 -5.481 -3.006 1.00 0.00 O -ATOM 435 CB PHE A 25 5.730 -4.791 -2.150 1.00 0.00 C -ATOM 436 CG PHE A 25 5.336 -5.696 -3.300 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.577 -7.072 -3.237 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.736 -5.141 -4.436 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.215 -7.893 -4.313 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.377 -5.958 -5.511 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.615 -7.336 -5.450 1.00 0.00 C -ATOM 442 H PHE A 25 6.835 -3.097 -0.760 1.00 0.00 H -ATOM 443 HA PHE A 25 7.380 -5.834 -1.238 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.138 -5.046 -1.284 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.530 -3.764 -2.423 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.040 -7.500 -2.360 1.00 0.00 H -ATOM 447 HD2 PHE A 25 4.553 -4.077 -4.482 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.400 -8.957 -4.265 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.917 -5.522 -6.388 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.339 -7.969 -6.280 1.00 0.00 H -ATOM 451 N LYS A 26 7.716 -4.356 -4.123 1.00 0.00 N -ATOM 452 CA LYS A 26 8.527 -4.328 -5.367 1.00 0.00 C -ATOM 453 C LYS A 26 8.147 -3.109 -6.202 1.00 0.00 C -ATOM 454 O LYS A 26 8.940 -2.218 -6.436 1.00 0.00 O -ATOM 455 CB LYS A 26 8.115 -5.601 -6.089 1.00 0.00 C -ATOM 456 CG LYS A 26 8.596 -6.815 -5.304 1.00 0.00 C -ATOM 457 CD LYS A 26 8.572 -8.052 -6.203 1.00 0.00 C -ATOM 458 CE LYS A 26 9.357 -9.184 -5.536 1.00 0.00 C -ATOM 459 NZ LYS A 26 10.768 -8.978 -5.967 1.00 0.00 N -ATOM 460 H LYS A 26 6.848 -3.948 -4.126 1.00 0.00 H -ATOM 461 HA LYS A 26 9.573 -4.339 -5.152 1.00 0.00 H -ATOM 462 HB2 LYS A 26 7.036 -5.625 -6.153 1.00 0.00 H -ATOM 463 HB3 LYS A 26 8.541 -5.616 -7.080 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.602 -6.639 -4.953 1.00 0.00 H -ATOM 465 HG3 LYS A 26 7.940 -6.969 -4.460 1.00 0.00 H -ATOM 466 HD2 LYS A 26 7.549 -8.364 -6.358 1.00 0.00 H -ATOM 467 HD3 LYS A 26 9.025 -7.815 -7.154 1.00 0.00 H -ATOM 468 HE2 LYS A 26 9.274 -9.114 -4.460 1.00 0.00 H -ATOM 469 HE3 LYS A 26 9.001 -10.143 -5.881 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.340 -9.798 -5.681 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 11.144 -8.119 -5.521 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 10.803 -8.873 -7.000 1.00 0.00 H -ATOM 473 N GLY A 27 6.926 -3.084 -6.647 1.00 0.00 N -ATOM 474 CA GLY A 27 6.431 -1.949 -7.475 1.00 0.00 C -ATOM 475 C GLY A 27 6.457 -2.338 -8.955 1.00 0.00 C -ATOM 476 O GLY A 27 5.677 -1.844 -9.747 1.00 0.00 O -ATOM 477 H GLY A 27 6.329 -3.824 -6.430 1.00 0.00 H -ATOM 478 HA2 GLY A 27 5.415 -1.719 -7.183 1.00 0.00 H -ATOM 479 HA3 GLY A 27 7.058 -1.087 -7.319 1.00 0.00 H -ATOM 480 N ARG A 28 7.349 -3.222 -9.333 1.00 0.00 N -ATOM 481 CA ARG A 28 7.427 -3.647 -10.763 1.00 0.00 C -ATOM 482 C ARG A 28 7.176 -5.152 -10.881 1.00 0.00 C -ATOM 483 O ARG A 28 7.633 -5.736 -11.851 1.00 0.00 O -ATOM 484 CB ARG A 28 8.852 -3.307 -11.200 1.00 0.00 C -ATOM 485 CG ARG A 28 8.914 -1.843 -11.644 1.00 0.00 C -ATOM 486 CD ARG A 28 9.323 -0.958 -10.459 1.00 0.00 C -ATOM 487 NE ARG A 28 10.546 -0.238 -10.916 1.00 0.00 N -ATOM 488 CZ ARG A 28 11.706 -0.530 -10.397 1.00 0.00 C -ATOM 489 NH1 ARG A 28 12.233 -1.707 -10.597 1.00 0.00 N -ATOM 490 NH2 ARG A 28 12.341 0.355 -9.678 1.00 0.00 N -ATOM 491 OXT ARG A 28 6.531 -5.697 -9.999 1.00 0.00 O -ATOM 492 H ARG A 28 7.965 -3.605 -8.676 1.00 0.00 H -ATOM 493 HA ARG A 28 6.717 -3.098 -11.360 1.00 0.00 H -ATOM 494 HB2 ARG A 28 9.530 -3.461 -10.372 1.00 0.00 H -ATOM 495 HB3 ARG A 28 9.138 -3.943 -12.024 1.00 0.00 H -ATOM 496 HG2 ARG A 28 9.636 -1.741 -12.441 1.00 0.00 H -ATOM 497 HG3 ARG A 28 7.942 -1.535 -12.000 1.00 0.00 H -ATOM 498 HD2 ARG A 28 8.535 -0.253 -10.230 1.00 0.00 H -ATOM 499 HD3 ARG A 28 9.553 -1.561 -9.595 1.00 0.00 H -ATOM 500 HE ARG A 28 10.478 0.454 -11.606 1.00 0.00 H -ATOM 501 HH11 ARG A 28 11.747 -2.386 -11.147 1.00 0.00 H -ATOM 502 HH12 ARG A 28 13.122 -1.931 -10.198 1.00 0.00 H -ATOM 503 HH21 ARG A 28 11.937 1.257 -9.525 1.00 0.00 H -ATOM 504 HH22 ARG A 28 13.230 0.131 -9.280 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 23 -ATOM 1 N GLU A 1 -17.035 7.571 -1.013 1.00 0.00 N -ATOM 2 CA GLU A 1 -16.104 6.664 -0.280 1.00 0.00 C -ATOM 3 C GLU A 1 -14.654 7.092 -0.522 1.00 0.00 C -ATOM 4 O GLU A 1 -14.322 7.634 -1.559 1.00 0.00 O -ATOM 5 CB GLU A 1 -16.359 5.276 -0.871 1.00 0.00 C -ATOM 6 CG GLU A 1 -15.636 4.222 -0.032 1.00 0.00 C -ATOM 7 CD GLU A 1 -16.482 3.878 1.196 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -17.694 3.844 1.065 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.901 3.656 2.246 1.00 0.00 O -ATOM 10 H1 GLU A 1 -18.017 7.303 -0.805 1.00 0.00 H -ATOM 11 H2 GLU A 1 -16.861 7.492 -2.036 1.00 0.00 H -ATOM 12 H3 GLU A 1 -16.874 8.553 -0.708 1.00 0.00 H -ATOM 13 HA GLU A 1 -16.328 6.664 0.773 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -17.420 5.075 -0.870 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -15.988 5.244 -1.884 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -15.484 3.333 -0.626 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -14.681 4.609 0.288 1.00 0.00 H -ATOM 18 N GLN A 2 -13.788 6.850 0.432 1.00 0.00 N -ATOM 19 CA GLN A 2 -12.356 7.238 0.266 1.00 0.00 C -ATOM 20 C GLN A 2 -11.535 6.046 -0.242 1.00 0.00 C -ATOM 21 O GLN A 2 -12.053 5.149 -0.876 1.00 0.00 O -ATOM 22 CB GLN A 2 -11.894 7.679 1.664 1.00 0.00 C -ATOM 23 CG GLN A 2 -10.888 8.839 1.538 1.00 0.00 C -ATOM 24 CD GLN A 2 -11.154 9.871 2.636 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -10.520 9.850 3.673 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -12.072 10.780 2.451 1.00 0.00 N -ATOM 27 H GLN A 2 -14.082 6.413 1.258 1.00 0.00 H -ATOM 28 HA GLN A 2 -12.266 8.063 -0.420 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -12.750 8.003 2.238 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -11.419 6.848 2.164 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -9.875 8.460 1.636 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -10.999 9.308 0.572 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -12.583 10.797 1.614 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -12.250 11.446 3.147 1.00 0.00 H -ATOM 35 N TYR A 3 -10.255 6.074 0.021 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.295 5.009 -0.422 1.00 0.00 C -ATOM 37 C TYR A 3 -9.888 3.610 -0.590 1.00 0.00 C -ATOM 38 O TYR A 3 -10.716 3.156 0.176 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.255 4.964 0.698 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.048 5.734 0.271 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.061 5.103 -0.484 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.932 7.077 0.616 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -4.940 5.826 -0.899 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.819 7.805 0.210 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.816 7.182 -0.553 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.712 7.902 -0.961 1.00 0.00 O -ATOM 47 H TYR A 3 -9.898 6.838 0.509 1.00 0.00 H -ATOM 48 HA TYR A 3 -8.814 5.310 -1.337 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.666 5.405 1.595 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -7.973 3.941 0.896 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.166 4.054 -0.747 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -7.705 7.553 1.202 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.176 5.341 -1.486 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -5.737 8.846 0.479 1.00 0.00 H -ATOM 55 HH TYR A 3 -3.589 7.750 -1.901 1.00 0.00 H -ATOM 56 N THR A 4 -9.389 2.916 -1.574 1.00 0.00 N -ATOM 57 CA THR A 4 -9.808 1.515 -1.827 1.00 0.00 C -ATOM 58 C THR A 4 -8.711 0.815 -2.641 1.00 0.00 C -ATOM 59 O THR A 4 -8.974 -0.102 -3.396 1.00 0.00 O -ATOM 60 CB THR A 4 -11.117 1.573 -2.621 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.852 2.739 -2.270 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.951 0.327 -2.302 1.00 0.00 C -ATOM 63 H THR A 4 -8.694 3.316 -2.136 1.00 0.00 H -ATOM 64 HA THR A 4 -9.970 1.005 -0.893 1.00 0.00 H -ATOM 65 HB THR A 4 -10.897 1.590 -3.678 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.124 2.654 -1.354 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.552 -0.166 -1.421 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.916 -0.354 -3.139 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.975 0.617 -2.117 1.00 0.00 H -ATOM 70 N ALA A 5 -7.476 1.258 -2.503 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.358 0.645 -3.272 1.00 0.00 C -ATOM 72 C ALA A 5 -6.007 -0.727 -2.727 1.00 0.00 C -ATOM 73 O ALA A 5 -5.728 -0.866 -1.564 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.160 1.568 -3.059 1.00 0.00 C -ATOM 75 H ALA A 5 -7.288 2.003 -1.902 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.603 0.596 -4.313 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.505 2.549 -2.768 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.597 1.639 -3.978 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.525 1.158 -2.274 1.00 0.00 H -ATOM 80 N LYS A 6 -5.965 -1.721 -3.561 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.576 -3.081 -3.081 1.00 0.00 C -ATOM 82 C LYS A 6 -4.307 -3.526 -3.800 1.00 0.00 C -ATOM 83 O LYS A 6 -4.129 -3.283 -4.979 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.746 -4.011 -3.395 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.152 -3.883 -4.864 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.624 -5.241 -5.386 1.00 0.00 C -ATOM 87 CE LYS A 6 -6.451 -5.969 -6.044 1.00 0.00 C -ATOM 88 NZ LYS A 6 -7.042 -6.666 -7.219 1.00 0.00 N -ATOM 89 H LYS A 6 -6.156 -1.571 -4.508 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.404 -3.057 -2.016 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.449 -5.029 -3.190 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.584 -3.750 -2.767 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.953 -3.163 -4.947 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.306 -3.548 -5.442 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -8.001 -5.830 -4.564 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.407 -5.094 -6.114 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -5.700 -5.259 -6.363 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -6.026 -6.690 -5.363 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -7.773 -7.332 -6.896 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -6.297 -7.185 -7.726 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -7.468 -5.967 -7.859 1.00 0.00 H -ATOM 102 N TYR A 7 -3.417 -4.158 -3.088 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.136 -4.608 -3.706 1.00 0.00 C -ATOM 104 C TYR A 7 -1.934 -6.112 -3.505 1.00 0.00 C -ATOM 105 O TYR A 7 -1.417 -6.797 -4.368 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.055 -3.804 -2.984 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.085 -2.400 -3.488 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.134 -1.557 -3.121 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.063 -1.941 -4.311 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.164 -0.243 -3.581 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.082 -0.628 -4.775 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.134 0.227 -4.410 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.155 1.529 -4.869 1.00 0.00 O -ATOM 114 H TYR A 7 -3.589 -4.325 -2.139 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.123 -4.361 -4.756 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.240 -3.796 -1.924 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.088 -4.229 -3.181 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.923 -1.926 -2.484 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.741 -2.604 -4.591 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.973 0.413 -3.282 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.714 -0.277 -5.410 1.00 0.00 H -ATOM 122 HH TYR A 7 -2.006 1.683 -5.286 1.00 0.00 H -ATOM 123 N LYS A 8 -2.344 -6.628 -2.378 1.00 0.00 N -ATOM 124 CA LYS A 8 -2.191 -8.088 -2.111 1.00 0.00 C -ATOM 125 C LYS A 8 -3.260 -8.536 -1.111 1.00 0.00 C -ATOM 126 O LYS A 8 -2.958 -9.048 -0.049 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.790 -8.240 -1.515 1.00 0.00 C -ATOM 128 CG LYS A 8 -0.449 -9.725 -1.379 1.00 0.00 C -ATOM 129 CD LYS A 8 -0.150 -10.312 -2.760 1.00 0.00 C -ATOM 130 CE LYS A 8 1.122 -9.675 -3.324 1.00 0.00 C -ATOM 131 NZ LYS A 8 1.611 -10.636 -4.352 1.00 0.00 N -ATOM 132 H LYS A 8 -2.760 -6.054 -1.703 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.269 -8.650 -3.028 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.070 -7.761 -2.162 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.762 -7.775 -0.541 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.417 -9.837 -0.744 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -1.287 -10.248 -0.942 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.011 -11.380 -2.674 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -0.976 -10.110 -3.426 1.00 0.00 H -ATOM 140 HE2 LYS A 8 0.893 -8.720 -3.776 1.00 0.00 H -ATOM 141 HE3 LYS A 8 1.860 -9.557 -2.546 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 0.853 -10.825 -5.038 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 1.891 -11.525 -3.888 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 2.429 -10.229 -4.846 1.00 0.00 H -ATOM 145 N GLY A 9 -4.509 -8.333 -1.445 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.609 -8.726 -0.520 1.00 0.00 C -ATOM 147 C GLY A 9 -5.608 -7.782 0.684 1.00 0.00 C -ATOM 148 O GLY A 9 -5.973 -8.160 1.781 1.00 0.00 O -ATOM 149 H GLY A 9 -4.721 -7.909 -2.303 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.557 -8.657 -1.036 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.453 -9.738 -0.181 1.00 0.00 H -ATOM 152 N ARG A 10 -5.190 -6.557 0.483 1.00 0.00 N -ATOM 153 CA ARG A 10 -5.150 -5.575 1.609 1.00 0.00 C -ATOM 154 C ARG A 10 -5.432 -4.168 1.086 1.00 0.00 C -ATOM 155 O ARG A 10 -4.559 -3.537 0.519 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.716 -5.640 2.148 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.384 -7.072 2.582 1.00 0.00 C -ATOM 158 CD ARG A 10 -2.030 -7.092 3.296 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.930 -8.452 3.892 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.740 -8.592 5.176 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -2.668 -8.221 6.016 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -0.625 -9.104 5.620 1.00 0.00 N -ATOM 163 H ARG A 10 -4.896 -6.282 -0.410 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.852 -5.846 2.381 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -3.026 -5.325 1.372 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.623 -4.980 2.998 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -4.151 -7.431 3.253 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -3.338 -7.710 1.713 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.230 -6.930 2.587 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -2.004 -6.344 4.074 1.00 0.00 H -ATOM 171 HE ARG A 10 -2.005 -9.244 3.320 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -3.523 -7.829 5.676 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -2.523 -8.327 7.000 1.00 0.00 H -ATOM 174 HH21 ARG A 10 0.085 -9.389 4.975 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -0.481 -9.212 6.603 1.00 0.00 H -ATOM 176 N THR A 11 -6.629 -3.661 1.269 1.00 0.00 N -ATOM 177 CA THR A 11 -6.915 -2.283 0.772 1.00 0.00 C -ATOM 178 C THR A 11 -6.061 -1.277 1.557 1.00 0.00 C -ATOM 179 O THR A 11 -5.866 -1.423 2.750 1.00 0.00 O -ATOM 180 CB THR A 11 -8.405 -2.027 1.008 1.00 0.00 C -ATOM 181 OG1 THR A 11 -9.166 -3.020 0.334 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.766 -0.642 0.460 1.00 0.00 C -ATOM 183 H THR A 11 -7.322 -4.176 1.732 1.00 0.00 H -ATOM 184 HA THR A 11 -6.699 -2.229 -0.283 1.00 0.00 H -ATOM 185 HB THR A 11 -8.623 -2.059 2.060 1.00 0.00 H -ATOM 186 HG1 THR A 11 -10.094 -2.865 0.529 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.546 -0.207 1.067 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.113 -0.739 -0.557 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.894 0.003 0.481 1.00 0.00 H -ATOM 190 N PHE A 12 -5.548 -0.269 0.900 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.702 0.738 1.605 1.00 0.00 C -ATOM 192 C PHE A 12 -5.513 2.000 1.901 1.00 0.00 C -ATOM 193 O PHE A 12 -5.865 2.748 1.012 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.536 1.014 0.649 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.604 -0.161 0.721 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.932 -1.317 0.022 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.434 -0.103 1.486 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.093 -2.436 0.085 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.587 -1.218 1.548 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.921 -2.387 0.851 1.00 0.00 C -ATOM 201 H PHE A 12 -5.716 -0.177 -0.061 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.322 0.321 2.525 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.901 1.121 -0.371 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.015 1.910 0.952 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.833 -1.336 -0.577 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.190 0.797 2.030 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.358 -3.342 -0.439 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.324 -1.174 2.128 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.269 -3.248 0.898 1.00 0.00 H -ATOM 210 N ARG A 13 -5.817 2.227 3.153 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.618 3.430 3.535 1.00 0.00 C -ATOM 212 C ARG A 13 -5.709 4.523 4.102 1.00 0.00 C -ATOM 213 O ARG A 13 -6.107 5.293 4.957 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.610 2.937 4.597 1.00 0.00 C -ATOM 215 CG ARG A 13 -6.854 2.350 5.797 1.00 0.00 C -ATOM 216 CD ARG A 13 -7.557 2.756 7.096 1.00 0.00 C -ATOM 217 NE ARG A 13 -6.764 2.111 8.178 1.00 0.00 N -ATOM 218 CZ ARG A 13 -7.355 1.344 9.053 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -7.574 0.087 8.777 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -7.727 1.832 10.205 1.00 0.00 N -ATOM 221 H ARG A 13 -5.520 1.597 3.844 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.157 3.803 2.682 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.221 3.765 4.926 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.243 2.174 4.169 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -6.838 1.273 5.719 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -5.843 2.725 5.806 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -7.545 3.831 7.208 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -8.569 2.385 7.108 1.00 0.00 H -ATOM 229 HE ARG A 13 -5.799 2.265 8.236 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -7.288 -0.287 7.895 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -8.025 -0.501 9.448 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -7.561 2.795 10.417 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -8.180 1.244 10.876 1.00 0.00 H -ATOM 234 N ASN A 14 -4.495 4.596 3.627 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.548 5.635 4.124 1.00 0.00 C -ATOM 236 C ASN A 14 -2.471 5.899 3.071 1.00 0.00 C -ATOM 237 O ASN A 14 -2.052 5.003 2.363 1.00 0.00 O -ATOM 238 CB ASN A 14 -2.933 5.040 5.390 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.573 6.166 6.361 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.435 6.720 7.012 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.325 6.528 6.487 1.00 0.00 N -ATOM 242 H ASN A 14 -4.205 3.962 2.937 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.077 6.544 4.361 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.643 4.374 5.857 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.040 4.491 5.133 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -0.629 6.080 5.962 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.084 7.246 7.109 1.00 0.00 H -ATOM 248 N GLU A 15 -2.026 7.124 2.960 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.978 7.455 1.948 1.00 0.00 C -ATOM 250 C GLU A 15 0.395 6.981 2.431 1.00 0.00 C -ATOM 251 O GLU A 15 1.211 6.524 1.653 1.00 0.00 O -ATOM 252 CB GLU A 15 -1.013 8.980 1.823 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.840 9.380 0.356 1.00 0.00 C -ATOM 254 CD GLU A 15 -1.656 10.642 0.070 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -1.523 11.594 0.821 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -2.400 10.635 -0.898 1.00 0.00 O -ATOM 257 H GLU A 15 -2.386 7.827 3.541 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.219 7.002 0.999 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.963 9.348 2.187 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.213 9.408 2.408 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.204 9.571 0.156 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -1.188 8.577 -0.278 1.00 0.00 H -ATOM 263 N LYS A 16 0.655 7.090 3.710 1.00 0.00 N -ATOM 264 CA LYS A 16 1.974 6.650 4.252 1.00 0.00 C -ATOM 265 C LYS A 16 2.174 5.154 4.028 1.00 0.00 C -ATOM 266 O LYS A 16 3.239 4.705 3.649 1.00 0.00 O -ATOM 267 CB LYS A 16 1.927 6.967 5.749 1.00 0.00 C -ATOM 268 CG LYS A 16 3.349 7.201 6.272 1.00 0.00 C -ATOM 269 CD LYS A 16 3.507 6.550 7.648 1.00 0.00 C -ATOM 270 CE LYS A 16 4.953 6.079 7.827 1.00 0.00 C -ATOM 271 NZ LYS A 16 4.940 5.259 9.071 1.00 0.00 N -ATOM 272 H LYS A 16 -0.016 7.465 4.311 1.00 0.00 H -ATOM 273 HA LYS A 16 2.757 7.202 3.788 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.332 7.856 5.908 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.481 6.136 6.275 1.00 0.00 H -ATOM 276 HG2 LYS A 16 4.063 6.768 5.585 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.530 8.261 6.356 1.00 0.00 H -ATOM 278 HD2 LYS A 16 3.262 7.268 8.417 1.00 0.00 H -ATOM 279 HD3 LYS A 16 2.843 5.702 7.723 1.00 0.00 H -ATOM 280 HE2 LYS A 16 5.259 5.481 6.980 1.00 0.00 H -ATOM 281 HE3 LYS A 16 5.611 6.926 7.949 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 5.840 4.741 9.151 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 4.152 4.582 9.033 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 4.823 5.880 9.896 1.00 0.00 H -ATOM 285 N GLU A 17 1.150 4.389 4.262 1.00 0.00 N -ATOM 286 CA GLU A 17 1.245 2.907 4.071 1.00 0.00 C -ATOM 287 C GLU A 17 1.590 2.582 2.617 1.00 0.00 C -ATOM 288 O GLU A 17 2.577 1.930 2.332 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.144 2.363 4.414 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.186 1.945 5.884 1.00 0.00 C -ATOM 291 CD GLU A 17 0.767 0.770 6.113 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.847 -0.081 5.242 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.400 0.740 7.155 1.00 0.00 O -ATOM 294 H GLU A 17 0.316 4.796 4.563 1.00 0.00 H -ATOM 295 HA GLU A 17 1.981 2.486 4.738 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -0.884 3.129 4.235 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.357 1.505 3.793 1.00 0.00 H -ATOM 298 HG2 GLU A 17 0.113 2.779 6.503 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.191 1.646 6.143 1.00 0.00 H -ATOM 300 N LEU A 18 0.778 3.036 1.697 1.00 0.00 N -ATOM 301 CA LEU A 18 1.037 2.765 0.246 1.00 0.00 C -ATOM 302 C LEU A 18 2.445 3.224 -0.141 1.00 0.00 C -ATOM 303 O LEU A 18 3.192 2.491 -0.760 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.035 3.574 -0.504 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.451 2.855 -1.796 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.999 1.452 -1.479 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.534 3.681 -2.500 1.00 0.00 C -ATOM 308 H LEU A 18 -0.009 3.555 1.963 1.00 0.00 H -ATOM 309 HA LEU A 18 0.924 1.716 0.040 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -0.901 3.692 0.132 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.361 4.548 -0.750 1.00 0.00 H -ATOM 312 HG LEU A 18 0.405 2.772 -2.443 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.889 1.253 -0.431 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.452 0.703 -2.044 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -2.046 1.400 -1.739 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.230 4.060 -1.767 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -2.060 3.054 -3.206 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.074 4.506 -3.023 1.00 0.00 H -ATOM 319 N ARG A 19 2.821 4.418 0.241 1.00 0.00 N -ATOM 320 CA ARG A 19 4.196 4.910 -0.091 1.00 0.00 C -ATOM 321 C ARG A 19 5.252 3.968 0.505 1.00 0.00 C -ATOM 322 O ARG A 19 6.383 3.933 0.058 1.00 0.00 O -ATOM 323 CB ARG A 19 4.296 6.298 0.541 1.00 0.00 C -ATOM 324 CG ARG A 19 3.470 7.294 -0.276 1.00 0.00 C -ATOM 325 CD ARG A 19 3.601 8.688 0.341 1.00 0.00 C -ATOM 326 NE ARG A 19 2.678 9.548 -0.444 1.00 0.00 N -ATOM 327 CZ ARG A 19 2.928 10.822 -0.577 1.00 0.00 C -ATOM 328 NH1 ARG A 19 2.969 11.593 0.476 1.00 0.00 N -ATOM 329 NH2 ARG A 19 3.140 11.327 -1.762 1.00 0.00 N -ATOM 330 H ARG A 19 2.207 4.983 0.754 1.00 0.00 H -ATOM 331 HA ARG A 19 4.320 4.983 -1.159 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.920 6.261 1.552 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.328 6.613 0.551 1.00 0.00 H -ATOM 334 HG2 ARG A 19 3.833 7.313 -1.294 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.433 6.994 -0.268 1.00 0.00 H -ATOM 336 HD2 ARG A 19 3.300 8.667 1.378 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.611 9.050 0.247 1.00 0.00 H -ATOM 338 HE ARG A 19 1.883 9.159 -0.855 1.00 0.00 H -ATOM 339 HH11 ARG A 19 2.808 11.205 1.384 1.00 0.00 H -ATOM 340 HH12 ARG A 19 3.161 12.568 0.375 1.00 0.00 H -ATOM 341 HH21 ARG A 19 3.110 10.737 -2.569 1.00 0.00 H -ATOM 342 HH22 ARG A 19 3.332 12.303 -1.862 1.00 0.00 H -ATOM 343 N ASP A 20 4.886 3.201 1.506 1.00 0.00 N -ATOM 344 CA ASP A 20 5.860 2.257 2.126 1.00 0.00 C -ATOM 345 C ASP A 20 5.673 0.847 1.555 1.00 0.00 C -ATOM 346 O ASP A 20 6.632 0.141 1.316 1.00 0.00 O -ATOM 347 CB ASP A 20 5.540 2.274 3.620 1.00 0.00 C -ATOM 348 CG ASP A 20 6.648 1.547 4.384 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.752 2.065 4.425 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.374 0.482 4.914 1.00 0.00 O -ATOM 351 H ASP A 20 3.970 3.243 1.848 1.00 0.00 H -ATOM 352 HA ASP A 20 6.870 2.597 1.963 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.476 3.297 3.963 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.599 1.776 3.794 1.00 0.00 H -ATOM 355 N PHE A 21 4.447 0.433 1.337 1.00 0.00 N -ATOM 356 CA PHE A 21 4.205 -0.936 0.782 1.00 0.00 C -ATOM 357 C PHE A 21 4.901 -1.102 -0.577 1.00 0.00 C -ATOM 358 O PHE A 21 5.901 -1.781 -0.691 1.00 0.00 O -ATOM 359 CB PHE A 21 2.692 -1.069 0.618 1.00 0.00 C -ATOM 360 CG PHE A 21 2.411 -2.451 0.096 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.385 -3.515 0.988 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.209 -2.667 -1.274 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.145 -4.814 0.524 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.970 -3.964 -1.742 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.934 -5.038 -0.843 1.00 0.00 C -ATOM 366 H PHE A 21 3.688 1.020 1.539 1.00 0.00 H -ATOM 367 HA PHE A 21 4.549 -1.693 1.476 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.217 -0.937 1.572 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.313 -0.335 -0.069 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.562 -3.331 2.037 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.242 -1.834 -1.968 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.116 -5.641 1.219 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.820 -4.137 -2.797 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.750 -6.039 -1.204 1.00 0.00 H -ATOM 375 N ILE A 22 4.358 -0.494 -1.608 1.00 0.00 N -ATOM 376 CA ILE A 22 4.956 -0.608 -2.979 1.00 0.00 C -ATOM 377 C ILE A 22 6.466 -0.341 -2.923 1.00 0.00 C -ATOM 378 O ILE A 22 7.239 -0.899 -3.678 1.00 0.00 O -ATOM 379 CB ILE A 22 4.238 0.460 -3.812 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.760 0.079 -3.949 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.857 0.520 -5.208 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.898 0.956 -3.048 1.00 0.00 C -ATOM 383 H ILE A 22 3.550 0.033 -1.476 1.00 0.00 H -ATOM 384 HA ILE A 22 4.747 -1.582 -3.397 1.00 0.00 H -ATOM 385 HB ILE A 22 4.329 1.421 -3.328 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.453 0.212 -4.973 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.629 -0.953 -3.667 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.390 1.311 -5.775 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.694 -0.425 -5.705 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.917 0.708 -5.125 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.608 0.393 -2.172 1.00 0.00 H -ATOM 392 HD12 ILE A 22 1.014 1.261 -3.587 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.457 1.828 -2.751 1.00 0.00 H -ATOM 394 N GLU A 23 6.874 0.503 -2.015 1.00 0.00 N -ATOM 395 CA GLU A 23 8.327 0.813 -1.874 1.00 0.00 C -ATOM 396 C GLU A 23 9.031 -0.343 -1.160 1.00 0.00 C -ATOM 397 O GLU A 23 10.178 -0.646 -1.430 1.00 0.00 O -ATOM 398 CB GLU A 23 8.388 2.087 -1.030 1.00 0.00 C -ATOM 399 CG GLU A 23 9.842 2.548 -0.904 1.00 0.00 C -ATOM 400 CD GLU A 23 10.170 3.514 -2.045 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.432 4.469 -2.216 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.155 3.281 -2.726 1.00 0.00 O -ATOM 403 H GLU A 23 6.218 0.925 -1.417 1.00 0.00 H -ATOM 404 HA GLU A 23 8.773 0.986 -2.841 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.803 2.862 -1.504 1.00 0.00 H -ATOM 406 HB3 GLU A 23 7.990 1.887 -0.046 1.00 0.00 H -ATOM 407 HG2 GLU A 23 9.981 3.047 0.044 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.497 1.692 -0.960 1.00 0.00 H -ATOM 409 N LYS A 24 8.342 -0.995 -0.258 1.00 0.00 N -ATOM 410 CA LYS A 24 8.952 -2.142 0.475 1.00 0.00 C -ATOM 411 C LYS A 24 8.826 -3.415 -0.365 1.00 0.00 C -ATOM 412 O LYS A 24 9.783 -4.143 -0.550 1.00 0.00 O -ATOM 413 CB LYS A 24 8.146 -2.266 1.770 1.00 0.00 C -ATOM 414 CG LYS A 24 8.850 -3.239 2.720 1.00 0.00 C -ATOM 415 CD LYS A 24 7.806 -4.010 3.531 1.00 0.00 C -ATOM 416 CE LYS A 24 7.366 -3.171 4.735 1.00 0.00 C -ATOM 417 NZ LYS A 24 7.275 -4.136 5.866 1.00 0.00 N -ATOM 418 H LYS A 24 7.417 -0.731 -0.068 1.00 0.00 H -ATOM 419 HA LYS A 24 9.987 -1.938 0.700 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.070 -1.297 2.241 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.157 -2.637 1.546 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.446 -3.933 2.145 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.489 -2.686 3.393 1.00 0.00 H -ATOM 424 HD2 LYS A 24 6.950 -4.222 2.907 1.00 0.00 H -ATOM 425 HD3 LYS A 24 8.235 -4.938 3.880 1.00 0.00 H -ATOM 426 HE2 LYS A 24 8.101 -2.407 4.948 1.00 0.00 H -ATOM 427 HE3 LYS A 24 6.401 -2.726 4.550 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 6.848 -3.664 6.689 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 8.228 -4.472 6.113 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 6.688 -4.946 5.585 1.00 0.00 H -ATOM 431 N PHE A 25 7.650 -3.684 -0.876 1.00 0.00 N -ATOM 432 CA PHE A 25 7.450 -4.899 -1.706 1.00 0.00 C -ATOM 433 C PHE A 25 7.831 -4.621 -3.166 1.00 0.00 C -ATOM 434 O PHE A 25 7.050 -4.842 -4.072 1.00 0.00 O -ATOM 435 CB PHE A 25 5.959 -5.223 -1.588 1.00 0.00 C -ATOM 436 CG PHE A 25 5.658 -6.502 -2.333 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.375 -7.669 -2.043 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.663 -6.518 -3.315 1.00 0.00 C -ATOM 439 CE1 PHE A 25 6.095 -8.852 -2.737 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.381 -7.700 -4.009 1.00 0.00 C -ATOM 441 CZ PHE A 25 5.098 -8.868 -3.720 1.00 0.00 C -ATOM 442 H PHE A 25 6.900 -3.087 -0.713 1.00 0.00 H -ATOM 443 HA PHE A 25 8.030 -5.707 -1.312 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.698 -5.344 -0.547 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.379 -4.418 -2.014 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.144 -7.654 -1.286 1.00 0.00 H -ATOM 447 HD2 PHE A 25 4.112 -5.615 -3.536 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.647 -9.753 -2.515 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.612 -7.712 -4.767 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.881 -9.780 -4.256 1.00 0.00 H -ATOM 451 N LYS A 26 9.026 -4.137 -3.396 1.00 0.00 N -ATOM 452 CA LYS A 26 9.464 -3.841 -4.797 1.00 0.00 C -ATOM 453 C LYS A 26 9.633 -5.133 -5.602 1.00 0.00 C -ATOM 454 O LYS A 26 9.611 -5.122 -6.819 1.00 0.00 O -ATOM 455 CB LYS A 26 10.807 -3.121 -4.656 1.00 0.00 C -ATOM 456 CG LYS A 26 10.566 -1.639 -4.368 1.00 0.00 C -ATOM 457 CD LYS A 26 11.887 -0.974 -3.972 1.00 0.00 C -ATOM 458 CE LYS A 26 12.711 -0.681 -5.229 1.00 0.00 C -ATOM 459 NZ LYS A 26 12.487 0.765 -5.505 1.00 0.00 N -ATOM 460 H LYS A 26 9.634 -3.968 -2.648 1.00 0.00 H -ATOM 461 HA LYS A 26 8.754 -3.199 -5.277 1.00 0.00 H -ATOM 462 HB2 LYS A 26 11.365 -3.561 -3.843 1.00 0.00 H -ATOM 463 HB3 LYS A 26 11.367 -3.221 -5.574 1.00 0.00 H -ATOM 464 HG2 LYS A 26 10.172 -1.159 -5.252 1.00 0.00 H -ATOM 465 HG3 LYS A 26 9.859 -1.539 -3.559 1.00 0.00 H -ATOM 466 HD2 LYS A 26 11.682 -0.051 -3.451 1.00 0.00 H -ATOM 467 HD3 LYS A 26 12.443 -1.638 -3.327 1.00 0.00 H -ATOM 468 HE2 LYS A 26 13.759 -0.873 -5.043 1.00 0.00 H -ATOM 469 HE3 LYS A 26 12.360 -1.275 -6.059 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 13.108 1.070 -6.281 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 12.705 1.318 -4.653 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 11.493 0.917 -5.774 1.00 0.00 H -ATOM 473 N GLY A 27 9.801 -6.239 -4.932 1.00 0.00 N -ATOM 474 CA GLY A 27 9.974 -7.539 -5.647 1.00 0.00 C -ATOM 475 C GLY A 27 11.363 -8.106 -5.351 1.00 0.00 C -ATOM 476 O GLY A 27 12.052 -8.575 -6.239 1.00 0.00 O -ATOM 477 H GLY A 27 9.815 -6.215 -3.956 1.00 0.00 H -ATOM 478 HA2 GLY A 27 9.219 -8.236 -5.313 1.00 0.00 H -ATOM 479 HA3 GLY A 27 9.873 -7.380 -6.710 1.00 0.00 H -ATOM 480 N ARG A 28 11.777 -8.069 -4.110 1.00 0.00 N -ATOM 481 CA ARG A 28 13.122 -8.608 -3.746 1.00 0.00 C -ATOM 482 C ARG A 28 12.977 -9.965 -3.051 1.00 0.00 C -ATOM 483 O ARG A 28 13.793 -10.258 -2.192 1.00 0.00 O -ATOM 484 CB ARG A 28 13.720 -7.573 -2.787 1.00 0.00 C -ATOM 485 CG ARG A 28 15.198 -7.339 -3.128 1.00 0.00 C -ATOM 486 CD ARG A 28 15.358 -5.994 -3.842 1.00 0.00 C -ATOM 487 NE ARG A 28 16.356 -6.244 -4.919 1.00 0.00 N -ATOM 488 CZ ARG A 28 17.017 -5.245 -5.438 1.00 0.00 C -ATOM 489 NH1 ARG A 28 17.755 -4.485 -4.677 1.00 0.00 N -ATOM 490 NH2 ARG A 28 16.939 -5.006 -6.719 1.00 0.00 N -ATOM 491 OXT ARG A 28 12.054 -10.686 -3.390 1.00 0.00 O -ATOM 492 H ARG A 28 11.201 -7.688 -3.415 1.00 0.00 H -ATOM 493 HA ARG A 28 13.742 -8.698 -4.625 1.00 0.00 H -ATOM 494 HB2 ARG A 28 13.175 -6.644 -2.877 1.00 0.00 H -ATOM 495 HB3 ARG A 28 13.642 -7.936 -1.772 1.00 0.00 H -ATOM 496 HG2 ARG A 28 15.778 -7.333 -2.217 1.00 0.00 H -ATOM 497 HG3 ARG A 28 15.551 -8.130 -3.773 1.00 0.00 H -ATOM 498 HD2 ARG A 28 14.414 -5.681 -4.267 1.00 0.00 H -ATOM 499 HD3 ARG A 28 15.730 -5.247 -3.159 1.00 0.00 H -ATOM 500 HE ARG A 28 16.517 -7.156 -5.237 1.00 0.00 H -ATOM 501 HH11 ARG A 28 17.815 -4.667 -3.696 1.00 0.00 H -ATOM 502 HH12 ARG A 28 18.262 -3.720 -5.075 1.00 0.00 H -ATOM 503 HH21 ARG A 28 16.373 -5.589 -7.302 1.00 0.00 H -ATOM 504 HH22 ARG A 28 17.445 -4.241 -7.117 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 24 -ATOM 1 N GLU A 1 -11.780 6.956 5.251 1.00 0.00 N -ATOM 2 CA GLU A 1 -12.400 7.780 4.173 1.00 0.00 C -ATOM 3 C GLU A 1 -11.389 8.032 3.051 1.00 0.00 C -ATOM 4 O GLU A 1 -11.366 9.090 2.452 1.00 0.00 O -ATOM 5 CB GLU A 1 -12.788 9.096 4.850 1.00 0.00 C -ATOM 6 CG GLU A 1 -14.099 8.908 5.618 1.00 0.00 C -ATOM 7 CD GLU A 1 -14.121 9.845 6.826 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -13.122 9.906 7.523 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -15.138 10.486 7.035 1.00 0.00 O -ATOM 10 H1 GLU A 1 -10.843 7.339 5.485 1.00 0.00 H -ATOM 11 H2 GLU A 1 -11.682 5.974 4.922 1.00 0.00 H -ATOM 12 H3 GLU A 1 -12.383 6.979 6.098 1.00 0.00 H -ATOM 13 HA GLU A 1 -13.281 7.292 3.785 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -12.007 9.391 5.535 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -12.919 9.861 4.100 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -14.932 9.137 4.968 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -14.175 7.886 5.956 1.00 0.00 H -ATOM 18 N GLN A 2 -10.555 7.064 2.765 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.539 7.238 1.682 1.00 0.00 C -ATOM 20 C GLN A 2 -9.760 6.193 0.583 1.00 0.00 C -ATOM 21 O GLN A 2 -10.641 5.360 0.675 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.181 7.025 2.369 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.288 8.249 2.144 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.838 9.435 2.940 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -8.834 10.021 2.567 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -7.226 9.814 4.028 1.00 0.00 N -ATOM 27 H GLN A 2 -10.596 6.222 3.264 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.596 8.233 1.270 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.331 6.882 3.429 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.698 6.152 1.955 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -6.283 8.027 2.475 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.275 8.498 1.094 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -6.423 9.341 4.329 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -7.571 10.573 4.545 1.00 0.00 H -ATOM 35 N TYR A 3 -8.966 6.236 -0.458 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.118 5.253 -1.582 1.00 0.00 C -ATOM 37 C TYR A 3 -9.170 3.808 -1.070 1.00 0.00 C -ATOM 38 O TYR A 3 -8.855 3.531 0.072 1.00 0.00 O -ATOM 39 CB TYR A 3 -7.904 5.467 -2.498 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.621 5.518 -1.702 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.179 4.402 -0.985 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -5.878 6.699 -1.684 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -4.997 4.471 -0.253 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -4.694 6.768 -0.951 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.250 5.653 -0.234 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.078 5.719 0.489 1.00 0.00 O -ATOM 47 H TYR A 3 -8.269 6.923 -0.511 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.007 5.473 -2.128 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -7.849 4.663 -3.214 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.029 6.403 -3.021 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.747 3.488 -0.993 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.220 7.560 -2.239 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.662 3.612 0.298 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.126 7.681 -0.938 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.364 5.413 -0.075 1.00 0.00 H -ATOM 56 N THR A 4 -9.571 2.891 -1.915 1.00 0.00 N -ATOM 57 CA THR A 4 -9.657 1.459 -1.496 1.00 0.00 C -ATOM 58 C THR A 4 -8.581 0.631 -2.206 1.00 0.00 C -ATOM 59 O THR A 4 -8.761 -0.544 -2.466 1.00 0.00 O -ATOM 60 CB THR A 4 -11.054 1.006 -1.926 1.00 0.00 C -ATOM 61 OG1 THR A 4 -12.002 2.002 -1.569 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.404 -0.309 -1.228 1.00 0.00 C -ATOM 63 H THR A 4 -9.821 3.146 -2.828 1.00 0.00 H -ATOM 64 HA THR A 4 -9.554 1.373 -0.427 1.00 0.00 H -ATOM 65 HB THR A 4 -11.071 0.858 -2.994 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.903 2.181 -0.631 1.00 0.00 H -ATOM 67 HG21 THR A 4 -10.959 -0.324 -0.244 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.022 -1.138 -1.808 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.477 -0.396 -1.140 1.00 0.00 H -ATOM 70 N ALA A 5 -7.464 1.239 -2.522 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.354 0.509 -3.219 1.00 0.00 C -ATOM 72 C ALA A 5 -6.041 -0.816 -2.528 1.00 0.00 C -ATOM 73 O ALA A 5 -5.842 -0.851 -1.335 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.137 1.424 -3.094 1.00 0.00 C -ATOM 75 H ALA A 5 -7.355 2.183 -2.305 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.594 0.356 -4.255 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.464 2.443 -2.948 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.546 1.358 -3.995 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.537 1.107 -2.244 1.00 0.00 H -ATOM 80 N LYS A 6 -5.966 -1.889 -3.269 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.637 -3.204 -2.641 1.00 0.00 C -ATOM 82 C LYS A 6 -4.345 -3.766 -3.230 1.00 0.00 C -ATOM 83 O LYS A 6 -4.106 -3.691 -4.420 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.810 -4.135 -2.947 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.055 -4.207 -4.462 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.079 -5.670 -4.917 1.00 0.00 C -ATOM 87 CE LYS A 6 -6.599 -5.763 -6.368 1.00 0.00 C -ATOM 88 NZ LYS A 6 -6.081 -7.152 -6.513 1.00 0.00 N -ATOM 89 H LYS A 6 -6.107 -1.826 -4.235 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.537 -3.086 -1.576 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.578 -5.120 -2.567 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.698 -3.763 -2.458 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -8.003 -3.744 -4.692 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.267 -3.683 -4.983 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -6.428 -6.254 -4.283 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.086 -6.051 -4.849 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -7.423 -5.593 -7.047 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -5.808 -5.052 -6.549 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -6.858 -7.828 -6.362 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -5.333 -7.319 -5.811 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -5.691 -7.279 -7.468 1.00 0.00 H -ATOM 102 N TYR A 7 -3.514 -4.332 -2.395 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.228 -4.912 -2.887 1.00 0.00 C -ATOM 104 C TYR A 7 -2.072 -6.340 -2.365 1.00 0.00 C -ATOM 105 O TYR A 7 -2.040 -6.575 -1.172 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.118 -4.026 -2.329 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.165 -2.696 -2.997 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.192 -1.808 -2.699 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.170 -2.351 -3.900 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.235 -0.561 -3.310 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.196 -1.106 -4.519 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.231 -0.200 -4.226 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.264 1.036 -4.838 1.00 0.00 O -ATOM 114 H TYR A 7 -3.742 -4.381 -1.445 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.196 -4.890 -3.964 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.236 -3.893 -1.273 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.165 -4.480 -2.527 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.961 -2.093 -1.998 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.617 -3.055 -4.124 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -3.031 0.132 -3.061 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.584 -0.841 -5.212 1.00 0.00 H -ATOM 122 HH TYR A 7 -0.362 1.362 -4.897 1.00 0.00 H -ATOM 123 N LYS A 8 -1.976 -7.295 -3.252 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.822 -8.727 -2.828 1.00 0.00 C -ATOM 125 C LYS A 8 -2.922 -9.137 -1.834 1.00 0.00 C -ATOM 126 O LYS A 8 -2.764 -10.083 -1.085 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.445 -8.807 -2.161 1.00 0.00 C -ATOM 128 CG LYS A 8 0.114 -10.222 -2.311 1.00 0.00 C -ATOM 129 CD LYS A 8 0.582 -10.435 -3.752 1.00 0.00 C -ATOM 130 CE LYS A 8 1.711 -11.469 -3.776 1.00 0.00 C -ATOM 131 NZ LYS A 8 2.664 -10.970 -4.806 1.00 0.00 N -ATOM 132 H LYS A 8 -2.003 -7.071 -4.206 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.844 -9.373 -3.691 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.224 -8.102 -2.632 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.540 -8.569 -1.112 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.948 -10.353 -1.636 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -0.657 -10.942 -2.076 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.245 -10.788 -4.350 1.00 0.00 H -ATOM 139 HD3 LYS A 8 0.945 -9.500 -4.153 1.00 0.00 H -ATOM 140 HE2 LYS A 8 2.190 -11.523 -2.809 1.00 0.00 H -ATOM 141 HE3 LYS A 8 1.328 -12.435 -4.063 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 2.177 -10.893 -5.721 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 3.459 -11.634 -4.894 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 3.022 -10.035 -4.523 1.00 0.00 H -ATOM 145 N GLY A 9 -4.037 -8.442 -1.830 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.146 -8.804 -0.894 1.00 0.00 C -ATOM 147 C GLY A 9 -5.107 -7.911 0.352 1.00 0.00 C -ATOM 148 O GLY A 9 -5.415 -8.351 1.445 1.00 0.00 O -ATOM 149 H GLY A 9 -4.147 -7.691 -2.449 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.094 -8.674 -1.398 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.039 -9.835 -0.594 1.00 0.00 H -ATOM 152 N ARG A 10 -4.739 -6.664 0.198 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.687 -5.740 1.374 1.00 0.00 C -ATOM 154 C ARG A 10 -5.080 -4.324 0.943 1.00 0.00 C -ATOM 155 O ARG A 10 -4.362 -3.676 0.206 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.232 -5.775 1.842 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.857 -7.202 2.243 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.481 -7.198 2.912 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.231 -8.618 3.287 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.593 -9.408 2.467 1.00 0.00 C -ATOM 161 NH1 ARG A 10 0.571 -9.055 1.996 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.121 -10.549 2.118 1.00 0.00 N -ATOM 163 H ARG A 10 -4.499 -6.334 -0.692 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.337 -6.091 2.160 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.589 -5.445 1.038 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.111 -5.120 2.692 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.593 -7.588 2.933 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.824 -7.827 1.363 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.729 -6.851 2.217 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.495 -6.579 3.795 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.546 -8.960 4.150 1.00 0.00 H -ATOM 172 HH11 ARG A 10 0.975 -8.181 2.263 1.00 0.00 H -ATOM 173 HH12 ARG A 10 1.060 -9.661 1.367 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -2.014 -10.819 2.479 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -0.632 -11.154 1.489 1.00 0.00 H -ATOM 176 N THR A 11 -6.215 -3.842 1.390 1.00 0.00 N -ATOM 177 CA THR A 11 -6.657 -2.469 0.991 1.00 0.00 C -ATOM 178 C THR A 11 -5.765 -1.397 1.634 1.00 0.00 C -ATOM 179 O THR A 11 -5.026 -1.670 2.561 1.00 0.00 O -ATOM 180 CB THR A 11 -8.092 -2.334 1.502 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.875 -3.408 0.999 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.676 -1.002 1.024 1.00 0.00 C -ATOM 183 H THR A 11 -6.778 -4.388 1.978 1.00 0.00 H -ATOM 184 HA THR A 11 -6.648 -2.379 -0.080 1.00 0.00 H -ATOM 185 HB THR A 11 -8.096 -2.358 2.581 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.682 -3.456 1.518 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.726 -0.960 1.272 1.00 0.00 H -ATOM 188 HG22 THR A 11 -8.555 -0.918 -0.046 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.158 -0.186 1.507 1.00 0.00 H -ATOM 190 N PHE A 12 -5.842 -0.176 1.154 1.00 0.00 N -ATOM 191 CA PHE A 12 -5.013 0.922 1.742 1.00 0.00 C -ATOM 192 C PHE A 12 -5.862 2.179 1.947 1.00 0.00 C -ATOM 193 O PHE A 12 -6.561 2.620 1.057 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.883 1.179 0.734 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.845 0.115 0.916 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -3.024 -1.101 0.276 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.724 0.330 1.733 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.087 -2.121 0.439 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.774 -0.689 1.888 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.957 -1.915 1.240 1.00 0.00 C -ATOM 201 H PHE A 12 -6.453 0.018 0.413 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.592 0.603 2.682 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.266 1.129 -0.286 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.446 2.149 0.914 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.888 -1.247 -0.362 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.590 1.279 2.232 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.236 -3.063 -0.049 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.104 -0.526 2.497 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.231 -2.706 1.364 1.00 0.00 H -ATOM 210 N ARG A 13 -5.802 2.752 3.122 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.597 3.982 3.407 1.00 0.00 C -ATOM 212 C ARG A 13 -5.684 5.067 3.982 1.00 0.00 C -ATOM 213 O ARG A 13 -6.056 5.791 4.885 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.636 3.553 4.445 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.545 2.478 3.846 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.851 2.411 4.641 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.817 3.231 3.859 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.736 2.647 3.140 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.441 1.674 3.647 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -11.947 3.037 1.913 1.00 0.00 N -ATOM 221 H ARG A 13 -5.230 2.371 3.820 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.087 4.333 2.513 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.132 3.156 5.314 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.231 4.406 4.731 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -8.761 2.722 2.815 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.048 1.519 3.893 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -10.194 1.389 4.714 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.716 2.836 5.624 1.00 0.00 H -ATOM 229 HE ARG A 13 -10.764 4.210 3.886 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -12.278 1.375 4.587 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -13.145 1.227 3.095 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -11.407 3.783 1.524 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -12.652 2.589 1.361 1.00 0.00 H -ATOM 234 N ASN A 14 -4.487 5.175 3.463 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.530 6.205 3.971 1.00 0.00 C -ATOM 236 C ASN A 14 -2.312 6.292 3.047 1.00 0.00 C -ATOM 237 O ASN A 14 -1.753 5.286 2.651 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.115 5.718 5.361 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.657 6.910 6.203 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.459 7.561 6.841 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.390 7.225 6.232 1.00 0.00 N -ATOM 242 H ASN A 14 -4.216 4.574 2.735 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.016 7.166 4.046 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.957 5.239 5.840 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.304 5.013 5.267 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -0.744 6.698 5.717 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.087 7.986 6.769 1.00 0.00 H -ATOM 248 N GLU A 15 -1.903 7.485 2.700 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.723 7.644 1.794 1.00 0.00 C -ATOM 250 C GLU A 15 0.541 7.084 2.453 1.00 0.00 C -ATOM 251 O GLU A 15 1.366 6.469 1.803 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.585 9.152 1.573 1.00 0.00 C -ATOM 253 CG GLU A 15 0.049 9.412 0.206 1.00 0.00 C -ATOM 254 CD GLU A 15 0.207 10.918 -0.008 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -0.729 11.640 0.295 1.00 0.00 O -ATOM 256 OE2 GLU A 15 1.260 11.324 -0.471 1.00 0.00 O -ATOM 257 H GLU A 15 -2.376 8.276 3.032 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.905 7.151 0.852 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.562 9.612 1.611 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.042 9.573 2.344 1.00 0.00 H -ATOM 261 HG2 GLU A 15 1.019 8.937 0.164 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.585 9.005 -0.568 1.00 0.00 H -ATOM 263 N LYS A 16 0.702 7.299 3.734 1.00 0.00 N -ATOM 264 CA LYS A 16 1.916 6.791 4.443 1.00 0.00 C -ATOM 265 C LYS A 16 2.050 5.278 4.277 1.00 0.00 C -ATOM 266 O LYS A 16 3.122 4.757 4.037 1.00 0.00 O -ATOM 267 CB LYS A 16 1.705 7.148 5.915 1.00 0.00 C -ATOM 268 CG LYS A 16 3.053 7.486 6.559 1.00 0.00 C -ATOM 269 CD LYS A 16 2.871 8.631 7.559 1.00 0.00 C -ATOM 270 CE LYS A 16 3.125 9.968 6.859 1.00 0.00 C -ATOM 271 NZ LYS A 16 2.089 10.889 7.403 1.00 0.00 N -ATOM 272 H LYS A 16 0.028 7.804 4.228 1.00 0.00 H -ATOM 273 HA LYS A 16 2.784 7.280 4.071 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.045 8.001 5.986 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.265 6.307 6.428 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.436 6.616 7.072 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.754 7.789 5.794 1.00 0.00 H -ATOM 278 HD2 LYS A 16 1.862 8.611 7.946 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.571 8.513 8.373 1.00 0.00 H -ATOM 280 HE2 LYS A 16 4.116 10.331 7.094 1.00 0.00 H -ATOM 281 HE3 LYS A 16 3.003 9.863 5.792 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 2.102 10.852 8.442 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 1.151 10.597 7.057 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 2.288 11.859 7.090 1.00 0.00 H -ATOM 285 N GLU A 17 0.964 4.582 4.410 1.00 0.00 N -ATOM 286 CA GLU A 17 0.989 3.092 4.271 1.00 0.00 C -ATOM 287 C GLU A 17 1.367 2.695 2.842 1.00 0.00 C -ATOM 288 O GLU A 17 2.370 2.048 2.611 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.436 2.633 4.586 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.635 2.567 6.100 1.00 0.00 C -ATOM 291 CD GLU A 17 0.275 1.489 6.693 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.430 0.458 6.060 1.00 0.00 O -ATOM 293 OE2 GLU A 17 0.802 1.714 7.771 1.00 0.00 O -ATOM 294 H GLU A 17 0.127 5.046 4.607 1.00 0.00 H -ATOM 295 HA GLU A 17 1.680 2.660 4.978 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.141 3.333 4.159 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.600 1.653 4.161 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.392 3.526 6.536 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.665 2.325 6.315 1.00 0.00 H -ATOM 300 N LEU A 18 0.559 3.072 1.884 1.00 0.00 N -ATOM 301 CA LEU A 18 0.844 2.718 0.455 1.00 0.00 C -ATOM 302 C LEU A 18 2.256 3.158 0.054 1.00 0.00 C -ATOM 303 O LEU A 18 3.002 2.398 -0.535 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.219 3.474 -0.357 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.496 2.748 -1.678 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -1.039 1.333 -1.407 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.530 3.545 -2.481 1.00 0.00 C -ATOM 308 H LEU A 18 -0.245 3.585 2.106 1.00 0.00 H -ATOM 309 HA LEU A 18 0.738 1.658 0.309 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.131 3.531 0.218 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.135 4.472 -0.566 1.00 0.00 H -ATOM 312 HG LEU A 18 0.417 2.683 -2.244 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.924 1.095 -0.373 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.497 0.609 -1.995 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -2.087 1.288 -1.665 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.499 3.451 -2.012 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.579 3.159 -3.488 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.241 4.586 -2.506 1.00 0.00 H -ATOM 319 N ARG A 19 2.633 4.368 0.378 1.00 0.00 N -ATOM 320 CA ARG A 19 4.006 4.845 0.024 1.00 0.00 C -ATOM 321 C ARG A 19 5.068 3.941 0.664 1.00 0.00 C -ATOM 322 O ARG A 19 6.205 3.909 0.231 1.00 0.00 O -ATOM 323 CB ARG A 19 4.099 6.260 0.587 1.00 0.00 C -ATOM 324 CG ARG A 19 3.385 7.227 -0.357 1.00 0.00 C -ATOM 325 CD ARG A 19 4.356 7.684 -1.449 1.00 0.00 C -ATOM 326 NE ARG A 19 4.048 9.123 -1.661 1.00 0.00 N -ATOM 327 CZ ARG A 19 3.863 9.579 -2.869 1.00 0.00 C -ATOM 328 NH1 ARG A 19 4.811 9.474 -3.759 1.00 0.00 N -ATOM 329 NH2 ARG A 19 2.728 10.141 -3.188 1.00 0.00 N -ATOM 330 H ARG A 19 2.017 4.958 0.860 1.00 0.00 H -ATOM 331 HA ARG A 19 4.130 4.869 -1.046 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.633 6.292 1.560 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.136 6.543 0.672 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.541 6.726 -0.810 1.00 0.00 H -ATOM 335 HG3 ARG A 19 3.041 8.085 0.199 1.00 0.00 H -ATOM 336 HD2 ARG A 19 5.377 7.562 -1.117 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.186 7.131 -2.360 1.00 0.00 H -ATOM 338 HE ARG A 19 3.988 9.728 -0.894 1.00 0.00 H -ATOM 339 HH11 ARG A 19 5.680 9.043 -3.515 1.00 0.00 H -ATOM 340 HH12 ARG A 19 4.669 9.824 -4.685 1.00 0.00 H -ATOM 341 HH21 ARG A 19 2.002 10.222 -2.505 1.00 0.00 H -ATOM 342 HH22 ARG A 19 2.587 10.492 -4.113 1.00 0.00 H -ATOM 343 N ASP A 20 4.706 3.211 1.693 1.00 0.00 N -ATOM 344 CA ASP A 20 5.691 2.312 2.363 1.00 0.00 C -ATOM 345 C ASP A 20 5.502 0.865 1.897 1.00 0.00 C -ATOM 346 O ASP A 20 6.442 0.091 1.870 1.00 0.00 O -ATOM 347 CB ASP A 20 5.386 2.437 3.857 1.00 0.00 C -ATOM 348 CG ASP A 20 5.998 3.730 4.398 1.00 0.00 C -ATOM 349 OD1 ASP A 20 5.608 4.788 3.931 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.846 3.641 5.270 1.00 0.00 O -ATOM 351 H ASP A 20 3.787 3.256 2.026 1.00 0.00 H -ATOM 352 HA ASP A 20 6.698 2.644 2.165 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.316 2.455 4.004 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.808 1.594 4.382 1.00 0.00 H -ATOM 355 N PHE A 21 4.297 0.490 1.536 1.00 0.00 N -ATOM 356 CA PHE A 21 4.057 -0.912 1.078 1.00 0.00 C -ATOM 357 C PHE A 21 4.753 -1.177 -0.265 1.00 0.00 C -ATOM 358 O PHE A 21 5.743 -1.878 -0.333 1.00 0.00 O -ATOM 359 CB PHE A 21 2.545 -1.059 0.923 1.00 0.00 C -ATOM 360 CG PHE A 21 2.278 -2.480 0.506 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.230 -3.468 1.482 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.118 -2.810 -0.847 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.009 -4.801 1.122 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.900 -4.144 -1.211 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.841 -5.140 -0.227 1.00 0.00 C -ATOM 366 H PHE A 21 3.556 1.129 1.569 1.00 0.00 H -ATOM 367 HA PHE A 21 4.400 -1.619 1.824 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.068 -0.859 1.864 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.163 -0.380 0.182 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.377 -3.196 2.516 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.166 -2.038 -1.609 1.00 0.00 H -ATOM 372 HE1 PHE A 21 1.964 -5.566 1.882 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.779 -4.406 -2.252 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.673 -6.168 -0.508 1.00 0.00 H -ATOM 375 N ILE A 22 4.215 -0.635 -1.335 1.00 0.00 N -ATOM 376 CA ILE A 22 4.806 -0.852 -2.699 1.00 0.00 C -ATOM 377 C ILE A 22 6.319 -0.614 -2.664 1.00 0.00 C -ATOM 378 O ILE A 22 7.079 -1.252 -3.367 1.00 0.00 O -ATOM 379 CB ILE A 22 4.111 0.168 -3.608 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.619 -0.174 -3.699 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.715 0.096 -5.013 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.804 0.781 -2.838 1.00 0.00 C -ATOM 383 H ILE A 22 3.414 -0.092 -1.239 1.00 0.00 H -ATOM 384 HA ILE A 22 4.581 -1.850 -3.047 1.00 0.00 H -ATOM 385 HB ILE A 22 4.238 1.162 -3.206 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.294 -0.092 -4.724 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.462 -1.183 -3.352 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.214 0.803 -5.656 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.584 -0.903 -5.402 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.767 0.330 -4.966 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.461 0.261 -1.954 1.00 0.00 H -ATOM 392 HD12 ILE A 22 0.950 1.131 -3.401 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.413 1.624 -2.548 1.00 0.00 H -ATOM 394 N GLU A 23 6.746 0.292 -1.827 1.00 0.00 N -ATOM 395 CA GLU A 23 8.207 0.570 -1.711 1.00 0.00 C -ATOM 396 C GLU A 23 8.897 -0.666 -1.137 1.00 0.00 C -ATOM 397 O GLU A 23 9.966 -1.052 -1.570 1.00 0.00 O -ATOM 398 CB GLU A 23 8.326 1.756 -0.751 1.00 0.00 C -ATOM 399 CG GLU A 23 9.685 2.433 -0.943 1.00 0.00 C -ATOM 400 CD GLU A 23 9.620 3.373 -2.149 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.571 2.875 -3.262 1.00 0.00 O -ATOM 402 OE2 GLU A 23 9.621 4.575 -1.938 1.00 0.00 O -ATOM 403 H GLU A 23 6.101 0.775 -1.263 1.00 0.00 H -ATOM 404 HA GLU A 23 8.621 0.822 -2.675 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.536 2.464 -0.955 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.243 1.405 0.266 1.00 0.00 H -ATOM 407 HG2 GLU A 23 9.933 2.999 -0.057 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.440 1.682 -1.116 1.00 0.00 H -ATOM 409 N LYS A 24 8.270 -1.302 -0.180 1.00 0.00 N -ATOM 410 CA LYS A 24 8.857 -2.535 0.416 1.00 0.00 C -ATOM 411 C LYS A 24 8.634 -3.703 -0.546 1.00 0.00 C -ATOM 412 O LYS A 24 9.503 -4.532 -0.745 1.00 0.00 O -ATOM 413 CB LYS A 24 8.094 -2.755 1.724 1.00 0.00 C -ATOM 414 CG LYS A 24 8.656 -1.833 2.813 1.00 0.00 C -ATOM 415 CD LYS A 24 9.602 -2.623 3.722 1.00 0.00 C -ATOM 416 CE LYS A 24 10.600 -1.665 4.378 1.00 0.00 C -ATOM 417 NZ LYS A 24 9.871 -1.090 5.542 1.00 0.00 N -ATOM 418 H LYS A 24 7.399 -0.974 0.132 1.00 0.00 H -ATOM 419 HA LYS A 24 9.909 -2.398 0.614 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.047 -2.533 1.570 1.00 0.00 H -ATOM 421 HB3 LYS A 24 8.200 -3.784 2.035 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.197 -1.017 2.353 1.00 0.00 H -ATOM 423 HG3 LYS A 24 7.843 -1.437 3.403 1.00 0.00 H -ATOM 424 HD2 LYS A 24 9.028 -3.127 4.487 1.00 0.00 H -ATOM 425 HD3 LYS A 24 10.138 -3.353 3.135 1.00 0.00 H -ATOM 426 HE2 LYS A 24 11.476 -2.206 4.709 1.00 0.00 H -ATOM 427 HE3 LYS A 24 10.877 -0.882 3.690 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 9.126 -0.447 5.201 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 10.537 -0.562 6.141 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 9.442 -1.856 6.097 1.00 0.00 H -ATOM 431 N PHE A 25 7.472 -3.763 -1.154 1.00 0.00 N -ATOM 432 CA PHE A 25 7.175 -4.862 -2.120 1.00 0.00 C -ATOM 433 C PHE A 25 8.242 -4.886 -3.238 1.00 0.00 C -ATOM 434 O PHE A 25 9.263 -5.534 -3.113 1.00 0.00 O -ATOM 435 CB PHE A 25 5.748 -4.547 -2.639 1.00 0.00 C -ATOM 436 CG PHE A 25 5.431 -5.322 -3.904 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.540 -6.716 -3.930 1.00 0.00 C -ATOM 438 CD2 PHE A 25 5.035 -4.628 -5.054 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.254 -7.416 -5.111 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.751 -5.321 -6.231 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.859 -6.718 -6.261 1.00 0.00 C -ATOM 442 H PHE A 25 6.795 -3.078 -0.976 1.00 0.00 H -ATOM 443 HA PHE A 25 7.169 -5.799 -1.610 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.030 -4.807 -1.878 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.675 -3.490 -2.847 1.00 0.00 H -ATOM 446 HD1 PHE A 25 5.845 -7.250 -3.042 1.00 0.00 H -ATOM 447 HD2 PHE A 25 4.951 -3.551 -5.029 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.337 -8.492 -5.134 1.00 0.00 H -ATOM 449 HE2 PHE A 25 4.452 -4.777 -7.118 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.639 -7.257 -7.171 1.00 0.00 H -ATOM 451 N LYS A 26 8.004 -4.201 -4.324 1.00 0.00 N -ATOM 452 CA LYS A 26 8.967 -4.181 -5.457 1.00 0.00 C -ATOM 453 C LYS A 26 8.900 -2.823 -6.148 1.00 0.00 C -ATOM 454 O LYS A 26 9.858 -2.076 -6.195 1.00 0.00 O -ATOM 455 CB LYS A 26 8.454 -5.260 -6.410 1.00 0.00 C -ATOM 456 CG LYS A 26 8.641 -6.651 -5.804 1.00 0.00 C -ATOM 457 CD LYS A 26 10.136 -6.983 -5.695 1.00 0.00 C -ATOM 458 CE LYS A 26 10.529 -7.986 -6.790 1.00 0.00 C -ATOM 459 NZ LYS A 26 11.668 -7.349 -7.510 1.00 0.00 N -ATOM 460 H LYS A 26 7.185 -3.705 -4.403 1.00 0.00 H -ATOM 461 HA LYS A 26 9.958 -4.401 -5.132 1.00 0.00 H -ATOM 462 HB2 LYS A 26 7.402 -5.090 -6.584 1.00 0.00 H -ATOM 463 HB3 LYS A 26 8.989 -5.198 -7.346 1.00 0.00 H -ATOM 464 HG2 LYS A 26 8.189 -6.676 -4.827 1.00 0.00 H -ATOM 465 HG3 LYS A 26 8.156 -7.380 -6.436 1.00 0.00 H -ATOM 466 HD2 LYS A 26 10.718 -6.080 -5.809 1.00 0.00 H -ATOM 467 HD3 LYS A 26 10.336 -7.418 -4.727 1.00 0.00 H -ATOM 468 HE2 LYS A 26 10.840 -8.921 -6.345 1.00 0.00 H -ATOM 469 HE3 LYS A 26 9.706 -8.148 -7.470 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.871 -7.883 -8.379 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 12.509 -7.350 -6.898 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 11.419 -6.371 -7.758 1.00 0.00 H -ATOM 473 N GLY A 27 7.756 -2.520 -6.684 1.00 0.00 N -ATOM 474 CA GLY A 27 7.551 -1.227 -7.393 1.00 0.00 C -ATOM 475 C GLY A 27 8.523 -1.122 -8.571 1.00 0.00 C -ATOM 476 O GLY A 27 9.255 -0.159 -8.697 1.00 0.00 O -ATOM 477 H GLY A 27 7.020 -3.158 -6.618 1.00 0.00 H -ATOM 478 HA2 GLY A 27 6.532 -1.185 -7.758 1.00 0.00 H -ATOM 479 HA3 GLY A 27 7.724 -0.409 -6.710 1.00 0.00 H -ATOM 480 N ARG A 28 8.532 -2.110 -9.430 1.00 0.00 N -ATOM 481 CA ARG A 28 9.455 -2.080 -10.604 1.00 0.00 C -ATOM 482 C ARG A 28 8.665 -1.827 -11.891 1.00 0.00 C -ATOM 483 O ARG A 28 7.475 -2.100 -11.895 1.00 0.00 O -ATOM 484 CB ARG A 28 10.100 -3.466 -10.633 1.00 0.00 C -ATOM 485 CG ARG A 28 11.161 -3.513 -11.734 1.00 0.00 C -ATOM 486 CD ARG A 28 12.450 -2.858 -11.231 1.00 0.00 C -ATOM 487 NE ARG A 28 13.235 -2.561 -12.460 1.00 0.00 N -ATOM 488 CZ ARG A 28 13.996 -1.502 -12.510 1.00 0.00 C -ATOM 489 NH1 ARG A 28 15.219 -1.557 -12.058 1.00 0.00 N -ATOM 490 NH2 ARG A 28 13.535 -0.389 -13.011 1.00 0.00 N -ATOM 491 OXT ARG A 28 9.262 -1.366 -12.849 1.00 0.00 O -ATOM 492 H ARG A 28 7.932 -2.873 -9.301 1.00 0.00 H -ATOM 493 HA ARG A 28 10.211 -1.323 -10.471 1.00 0.00 H -ATOM 494 HB2 ARG A 28 10.563 -3.667 -9.677 1.00 0.00 H -ATOM 495 HB3 ARG A 28 9.346 -4.211 -10.831 1.00 0.00 H -ATOM 496 HG2 ARG A 28 11.359 -4.541 -11.999 1.00 0.00 H -ATOM 497 HG3 ARG A 28 10.804 -2.979 -12.601 1.00 0.00 H -ATOM 498 HD2 ARG A 28 12.222 -1.946 -10.696 1.00 0.00 H -ATOM 499 HD3 ARG A 28 12.997 -3.540 -10.598 1.00 0.00 H -ATOM 500 HE ARG A 28 13.179 -3.160 -13.233 1.00 0.00 H -ATOM 501 HH11 ARG A 28 15.573 -2.410 -11.675 1.00 0.00 H -ATOM 502 HH12 ARG A 28 15.803 -0.746 -12.096 1.00 0.00 H -ATOM 503 HH21 ARG A 28 12.597 -0.347 -13.357 1.00 0.00 H -ATOM 504 HH22 ARG A 28 14.118 0.422 -13.048 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 25 -ATOM 1 N GLU A 1 -16.857 8.227 1.043 1.00 0.00 N -ATOM 2 CA GLU A 1 -16.066 7.213 0.287 1.00 0.00 C -ATOM 3 C GLU A 1 -14.635 7.713 0.073 1.00 0.00 C -ATOM 4 O GLU A 1 -14.396 8.899 -0.059 1.00 0.00 O -ATOM 5 CB GLU A 1 -16.792 7.061 -1.053 1.00 0.00 C -ATOM 6 CG GLU A 1 -16.895 5.578 -1.417 1.00 0.00 C -ATOM 7 CD GLU A 1 -18.128 4.972 -0.746 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -18.410 5.348 0.380 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -18.772 4.145 -1.371 1.00 0.00 O -ATOM 10 H1 GLU A 1 -16.520 8.269 2.025 1.00 0.00 H -ATOM 11 H2 GLU A 1 -17.863 7.961 1.031 1.00 0.00 H -ATOM 12 H3 GLU A 1 -16.740 9.159 0.599 1.00 0.00 H -ATOM 13 HA GLU A 1 -16.061 6.272 0.814 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -17.784 7.481 -0.975 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -16.242 7.581 -1.823 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -16.980 5.476 -2.490 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -16.011 5.060 -1.076 1.00 0.00 H -ATOM 18 N GLN A 2 -13.684 6.814 0.034 1.00 0.00 N -ATOM 19 CA GLN A 2 -12.264 7.227 -0.173 1.00 0.00 C -ATOM 20 C GLN A 2 -11.413 6.020 -0.590 1.00 0.00 C -ATOM 21 O GLN A 2 -11.911 5.061 -1.145 1.00 0.00 O -ATOM 22 CB GLN A 2 -11.807 7.788 1.182 1.00 0.00 C -ATOM 23 CG GLN A 2 -10.839 8.964 0.955 1.00 0.00 C -ATOM 24 CD GLN A 2 -11.134 10.075 1.965 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -12.265 10.493 2.113 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -10.157 10.575 2.668 1.00 0.00 N -ATOM 27 H GLN A 2 -13.905 5.866 0.141 1.00 0.00 H -ATOM 28 HA GLN A 2 -12.200 7.995 -0.923 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -12.669 8.131 1.737 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -11.304 7.014 1.741 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -9.814 8.625 1.081 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -10.967 9.348 -0.046 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -9.244 10.238 2.548 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -10.335 11.288 3.317 1.00 0.00 H -ATOM 35 N TYR A 3 -10.131 6.106 -0.341 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.138 5.037 -0.701 1.00 0.00 C -ATOM 37 C TYR A 3 -9.703 3.621 -0.821 1.00 0.00 C -ATOM 38 O TYR A 3 -10.521 3.178 -0.038 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.127 5.069 0.445 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.919 5.826 -0.001 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -5.896 5.158 -0.676 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.836 7.194 0.241 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -4.776 5.869 -1.112 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.723 7.910 -0.188 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.686 7.250 -0.868 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.583 7.957 -1.299 1.00 0.00 O -ATOM 47 H TYR A 3 -9.794 6.918 0.082 1.00 0.00 H -ATOM 48 HA TYR A 3 -8.639 5.302 -1.618 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.564 5.560 1.303 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -7.840 4.062 0.711 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -5.975 4.090 -0.861 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -7.633 7.699 0.764 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -3.985 5.355 -1.636 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -5.668 8.970 0.002 1.00 0.00 H -ATOM 55 HH TYR A 3 -3.666 8.090 -2.246 1.00 0.00 H -ATOM 56 N THR A 4 -9.203 2.907 -1.789 1.00 0.00 N -ATOM 57 CA THR A 4 -9.608 1.497 -1.997 1.00 0.00 C -ATOM 58 C THR A 4 -8.492 0.764 -2.756 1.00 0.00 C -ATOM 59 O THR A 4 -8.736 -0.212 -3.441 1.00 0.00 O -ATOM 60 CB THR A 4 -10.894 1.536 -2.825 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.691 2.644 -2.426 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.675 0.237 -2.600 1.00 0.00 C -ATOM 63 H THR A 4 -8.520 3.301 -2.370 1.00 0.00 H -ATOM 64 HA THR A 4 -9.797 1.022 -1.050 1.00 0.00 H -ATOM 65 HB THR A 4 -10.649 1.625 -3.872 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.436 3.400 -2.960 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.354 -0.225 -1.674 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.491 -0.440 -3.421 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.731 0.458 -2.544 1.00 0.00 H -ATOM 70 N ALA A 5 -7.264 1.238 -2.648 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.137 0.582 -3.369 1.00 0.00 C -ATOM 72 C ALA A 5 -5.828 -0.775 -2.771 1.00 0.00 C -ATOM 73 O ALA A 5 -5.413 -0.872 -1.637 1.00 0.00 O -ATOM 74 CB ALA A 5 -4.928 1.488 -3.182 1.00 0.00 C -ATOM 75 H ALA A 5 -7.086 2.026 -2.102 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.370 0.495 -4.412 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.254 2.508 -3.054 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.296 1.413 -4.053 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.374 1.166 -2.306 1.00 0.00 H -ATOM 80 N LYS A 6 -5.990 -1.807 -3.537 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.677 -3.179 -3.034 1.00 0.00 C -ATOM 82 C LYS A 6 -4.466 -3.731 -3.781 1.00 0.00 C -ATOM 83 O LYS A 6 -4.270 -3.462 -4.952 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.925 -4.026 -3.304 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.326 -3.926 -4.778 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.876 -5.273 -5.258 1.00 0.00 C -ATOM 87 CE LYS A 6 -6.777 -6.047 -5.990 1.00 0.00 C -ATOM 88 NZ LYS A 6 -7.023 -5.791 -7.437 1.00 0.00 N -ATOM 89 H LYS A 6 -6.292 -1.678 -4.456 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.477 -3.148 -1.974 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.713 -5.057 -3.058 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.737 -3.672 -2.686 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -8.086 -3.166 -4.888 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.463 -3.658 -5.367 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -8.217 -5.847 -4.408 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.703 -5.104 -5.932 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -5.802 -5.679 -5.699 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -6.860 -7.103 -5.783 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -7.889 -6.286 -7.733 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -6.217 -6.137 -7.992 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -7.136 -4.769 -7.593 1.00 0.00 H -ATOM 102 N TYR A 7 -3.643 -4.482 -3.102 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.423 -5.041 -3.751 1.00 0.00 C -ATOM 104 C TYR A 7 -2.367 -6.557 -3.559 1.00 0.00 C -ATOM 105 O TYR A 7 -2.372 -7.314 -4.511 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.271 -4.343 -3.036 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.242 -2.906 -3.479 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.177 -1.997 -2.972 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.285 -2.487 -4.402 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.155 -0.662 -3.391 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.260 -1.157 -4.825 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.195 -0.241 -4.323 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.169 1.073 -4.743 1.00 0.00 O -ATOM 114 H TYR A 7 -3.822 -4.667 -2.157 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.404 -4.786 -4.799 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.422 -4.389 -1.967 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.336 -4.818 -3.294 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.914 -2.327 -2.256 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.431 -3.193 -4.792 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.877 0.042 -2.993 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.494 -0.834 -5.529 1.00 0.00 H -ATOM 122 HH TYR A 7 -2.014 1.270 -5.154 1.00 0.00 H -ATOM 123 N LYS A 8 -2.328 -7.001 -2.331 1.00 0.00 N -ATOM 124 CA LYS A 8 -2.286 -8.467 -2.056 1.00 0.00 C -ATOM 125 C LYS A 8 -3.317 -8.808 -0.978 1.00 0.00 C -ATOM 126 O LYS A 8 -3.001 -9.414 0.029 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.867 -8.739 -1.555 1.00 0.00 C -ATOM 128 CG LYS A 8 0.036 -9.079 -2.743 1.00 0.00 C -ATOM 129 CD LYS A 8 -0.334 -10.460 -3.290 1.00 0.00 C -ATOM 130 CE LYS A 8 -0.187 -10.465 -4.813 1.00 0.00 C -ATOM 131 NZ LYS A 8 -0.862 -11.714 -5.262 1.00 0.00 N -ATOM 132 H LYS A 8 -2.335 -6.367 -1.584 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.478 -9.028 -2.957 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.489 -7.861 -1.053 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.882 -9.571 -0.866 1.00 0.00 H -ATOM 136 HG2 LYS A 8 -0.094 -8.336 -3.517 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.067 -9.085 -2.421 1.00 0.00 H -ATOM 138 HD2 LYS A 8 0.324 -11.203 -2.862 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -1.356 -10.690 -3.029 1.00 0.00 H -ATOM 140 HE2 LYS A 8 -0.674 -9.597 -5.239 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.855 -10.487 -5.091 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 -1.863 -11.689 -4.976 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 -0.397 -12.536 -4.824 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 -0.797 -11.792 -6.296 1.00 0.00 H -ATOM 145 N GLY A 9 -4.544 -8.404 -1.182 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.606 -8.678 -0.172 1.00 0.00 C -ATOM 147 C GLY A 9 -5.485 -7.658 0.961 1.00 0.00 C -ATOM 148 O GLY A 9 -5.803 -7.942 2.101 1.00 0.00 O -ATOM 149 H GLY A 9 -4.765 -7.908 -1.998 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.579 -8.594 -0.637 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.480 -9.672 0.227 1.00 0.00 H -ATOM 152 N ARG A 10 -5.017 -6.473 0.652 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.859 -5.424 1.703 1.00 0.00 C -ATOM 154 C ARG A 10 -5.163 -4.045 1.124 1.00 0.00 C -ATOM 155 O ARG A 10 -4.284 -3.398 0.582 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.385 -5.484 2.117 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.039 -6.892 2.608 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.634 -6.889 3.217 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.299 -8.321 3.424 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.065 -8.730 3.298 1.00 0.00 C -ATOM 161 NH1 ARG A 10 0.545 -8.620 2.150 1.00 0.00 N -ATOM 162 NH2 ARG A 10 0.559 -9.246 4.323 1.00 0.00 N -ATOM 163 H ARG A 10 -4.763 -6.275 -0.273 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.492 -5.631 2.551 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.761 -5.228 1.266 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.208 -4.774 2.912 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.757 -7.197 3.356 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -3.069 -7.580 1.778 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.931 -6.431 2.535 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.635 -6.372 4.162 1.00 0.00 H -ATOM 171 HE ARG A 10 -2.004 -8.956 3.661 1.00 0.00 H -ATOM 172 HH11 ARG A 10 0.067 -8.223 1.367 1.00 0.00 H -ATOM 173 HH12 ARG A 10 1.489 -8.933 2.053 1.00 0.00 H -ATOM 174 HH21 ARG A 10 0.092 -9.328 5.203 1.00 0.00 H -ATOM 175 HH22 ARG A 10 1.504 -9.559 4.227 1.00 0.00 H -ATOM 176 N THR A 11 -6.384 -3.576 1.238 1.00 0.00 N -ATOM 177 CA THR A 11 -6.690 -2.223 0.690 1.00 0.00 C -ATOM 178 C THR A 11 -5.911 -1.179 1.497 1.00 0.00 C -ATOM 179 O THR A 11 -5.728 -1.328 2.692 1.00 0.00 O -ATOM 180 CB THR A 11 -8.196 -2.004 0.840 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.894 -3.026 0.142 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.564 -0.635 0.252 1.00 0.00 C -ATOM 183 H THR A 11 -7.079 -4.103 1.685 1.00 0.00 H -ATOM 184 HA THR A 11 -6.418 -2.185 -0.350 1.00 0.00 H -ATOM 185 HB THR A 11 -8.469 -2.027 1.881 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.643 -3.295 0.679 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.291 -0.154 0.889 1.00 0.00 H -ATOM 188 HG22 THR A 11 -8.983 -0.769 -0.733 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.678 -0.010 0.184 1.00 0.00 H -ATOM 190 N PHE A 12 -5.443 -0.137 0.861 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.667 0.901 1.603 1.00 0.00 C -ATOM 192 C PHE A 12 -5.516 2.149 1.845 1.00 0.00 C -ATOM 193 O PHE A 12 -5.958 2.802 0.923 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.464 1.202 0.708 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.477 0.077 0.859 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.658 -1.089 0.113 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.398 0.188 1.747 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.762 -2.159 0.252 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.500 -0.879 1.886 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.684 -2.053 1.141 1.00 0.00 C -ATOM 201 H PHE A 12 -5.595 -0.042 -0.103 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.323 0.499 2.544 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.781 1.266 -0.330 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.008 2.131 1.012 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.487 -1.156 -0.580 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.263 1.092 2.331 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.909 -3.071 -0.314 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.337 -0.797 2.565 1.00 0.00 H -ATOM 209 HZ PHE A 12 0.008 -2.875 1.249 1.00 0.00 H -ATOM 210 N ARG A 13 -5.746 2.477 3.092 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.563 3.681 3.424 1.00 0.00 C -ATOM 212 C ARG A 13 -5.660 4.787 3.971 1.00 0.00 C -ATOM 213 O ARG A 13 -6.067 5.584 4.796 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.546 3.208 4.497 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.915 3.848 4.258 1.00 0.00 C -ATOM 216 CD ARG A 13 -8.891 5.304 4.730 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.273 5.805 4.501 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.223 5.515 5.348 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -11.269 6.116 6.506 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -12.124 4.625 5.037 1.00 0.00 N -ATOM 221 H ARG A 13 -5.375 1.927 3.815 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.101 4.026 2.555 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.637 2.134 4.452 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -7.181 3.498 5.471 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.149 3.814 3.205 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -9.668 3.306 4.812 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -8.639 5.354 5.780 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -8.188 5.878 4.145 1.00 0.00 H -ATOM 229 HE ARG A 13 -10.471 6.353 3.713 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -10.577 6.798 6.743 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -11.997 5.895 7.155 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -12.088 4.164 4.150 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -12.852 4.401 5.686 1.00 0.00 H -ATOM 234 N ASN A 14 -4.435 4.836 3.516 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.489 5.883 4.001 1.00 0.00 C -ATOM 236 C ASN A 14 -2.325 6.029 3.016 1.00 0.00 C -ATOM 237 O ASN A 14 -1.698 5.058 2.634 1.00 0.00 O -ATOM 238 CB ASN A 14 -2.992 5.373 5.359 1.00 0.00 C -ATOM 239 CG ASN A 14 -3.041 6.507 6.386 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -4.067 6.754 6.988 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.965 7.209 6.613 1.00 0.00 N -ATOM 242 H ASN A 14 -4.136 4.179 2.852 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.001 6.824 4.121 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.620 4.560 5.692 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -1.975 5.025 5.265 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -1.138 7.009 6.128 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.983 7.933 7.272 1.00 0.00 H -ATOM 248 N GLU A 15 -2.039 7.236 2.602 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.919 7.458 1.635 1.00 0.00 C -ATOM 250 C GLU A 15 0.407 6.987 2.241 1.00 0.00 C -ATOM 251 O GLU A 15 1.229 6.392 1.569 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.892 8.971 1.394 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.608 9.252 -0.083 1.00 0.00 C -ATOM 254 CD GLU A 15 -1.332 10.532 -0.508 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -0.803 11.600 -0.253 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -2.403 10.419 -1.082 1.00 0.00 O -ATOM 257 H GLU A 15 -2.565 7.997 2.925 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.114 6.942 0.709 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.850 9.394 1.664 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.118 9.418 1.999 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.456 9.375 -0.227 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.961 8.426 -0.681 1.00 0.00 H -ATOM 263 N LYS A 16 0.621 7.259 3.503 1.00 0.00 N -ATOM 264 CA LYS A 16 1.893 6.841 4.163 1.00 0.00 C -ATOM 265 C LYS A 16 2.021 5.320 4.176 1.00 0.00 C -ATOM 266 O LYS A 16 3.083 4.770 3.956 1.00 0.00 O -ATOM 267 CB LYS A 16 1.801 7.379 5.593 1.00 0.00 C -ATOM 268 CG LYS A 16 3.187 7.354 6.242 1.00 0.00 C -ATOM 269 CD LYS A 16 3.090 7.892 7.670 1.00 0.00 C -ATOM 270 CE LYS A 16 2.554 6.797 8.594 1.00 0.00 C -ATOM 271 NZ LYS A 16 3.758 6.042 9.037 1.00 0.00 N -ATOM 272 H LYS A 16 -0.053 7.745 4.013 1.00 0.00 H -ATOM 273 HA LYS A 16 2.721 7.279 3.662 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.430 8.393 5.572 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.126 6.761 6.166 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.556 6.339 6.262 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.862 7.972 5.670 1.00 0.00 H -ATOM 278 HD2 LYS A 16 4.071 8.199 8.006 1.00 0.00 H -ATOM 279 HD3 LYS A 16 2.421 8.739 7.692 1.00 0.00 H -ATOM 280 HE2 LYS A 16 2.049 7.237 9.443 1.00 0.00 H -ATOM 281 HE3 LYS A 16 1.886 6.143 8.055 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 4.458 6.703 9.429 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 4.175 5.544 8.225 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 3.485 5.351 9.766 1.00 0.00 H -ATOM 285 N GLU A 17 0.944 4.648 4.445 1.00 0.00 N -ATOM 286 CA GLU A 17 0.968 3.152 4.496 1.00 0.00 C -ATOM 287 C GLU A 17 1.407 2.567 3.156 1.00 0.00 C -ATOM 288 O GLU A 17 2.469 1.986 3.034 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.478 2.728 4.777 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.713 2.578 6.278 1.00 0.00 C -ATOM 291 CD GLU A 17 0.198 1.485 6.844 1.00 0.00 C -ATOM 292 OE1 GLU A 17 -0.103 0.322 6.634 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.183 1.831 7.477 1.00 0.00 O -ATOM 294 H GLU A 17 0.116 5.135 4.623 1.00 0.00 H -ATOM 295 HA GLU A 17 1.615 2.810 5.286 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.149 3.475 4.382 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.672 1.783 4.291 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.507 3.517 6.770 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.743 2.302 6.441 1.00 0.00 H -ATOM 300 N LEU A 18 0.570 2.687 2.159 1.00 0.00 N -ATOM 301 CA LEU A 18 0.890 2.110 0.823 1.00 0.00 C -ATOM 302 C LEU A 18 2.248 2.596 0.309 1.00 0.00 C -ATOM 303 O LEU A 18 3.035 1.813 -0.178 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.245 2.571 -0.097 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.035 2.025 -1.513 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.053 0.489 -1.494 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.155 2.538 -2.425 1.00 0.00 C -ATOM 308 H LEU A 18 -0.288 3.134 2.303 1.00 0.00 H -ATOM 309 HA LEU A 18 0.887 1.038 0.890 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.185 2.211 0.289 1.00 0.00 H -ATOM 311 HB3 LEU A 18 -0.262 3.651 -0.131 1.00 0.00 H -ATOM 312 HG LEU A 18 0.917 2.366 -1.888 1.00 0.00 H -ATOM 313 HD11 LEU A 18 0.581 0.126 -0.705 1.00 0.00 H -ATOM 314 HD12 LEU A 18 0.306 0.115 -2.438 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.063 0.143 -1.328 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -1.609 3.414 -1.983 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.903 1.769 -2.548 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -0.742 2.797 -3.389 1.00 0.00 H -ATOM 319 N ARG A 19 2.544 3.870 0.411 1.00 0.00 N -ATOM 320 CA ARG A 19 3.871 4.362 -0.084 1.00 0.00 C -ATOM 321 C ARG A 19 4.998 3.553 0.573 1.00 0.00 C -ATOM 322 O ARG A 19 6.016 3.279 -0.035 1.00 0.00 O -ATOM 323 CB ARG A 19 3.949 5.832 0.325 1.00 0.00 C -ATOM 324 CG ARG A 19 3.142 6.682 -0.658 1.00 0.00 C -ATOM 325 CD ARG A 19 3.400 8.166 -0.383 1.00 0.00 C -ATOM 326 NE ARG A 19 4.511 8.541 -1.299 1.00 0.00 N -ATOM 327 CZ ARG A 19 5.486 9.296 -0.870 1.00 0.00 C -ATOM 328 NH1 ARG A 19 6.522 8.758 -0.286 1.00 0.00 N -ATOM 329 NH2 ARG A 19 5.425 10.591 -1.026 1.00 0.00 N -ATOM 330 H ARG A 19 1.902 4.494 0.811 1.00 0.00 H -ATOM 331 HA ARG A 19 3.920 4.268 -1.161 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.547 5.950 1.320 1.00 0.00 H -ATOM 333 HB3 ARG A 19 4.979 6.151 0.312 1.00 0.00 H -ATOM 334 HG2 ARG A 19 3.441 6.444 -1.669 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.090 6.474 -0.534 1.00 0.00 H -ATOM 336 HD2 ARG A 19 2.517 8.746 -0.608 1.00 0.00 H -ATOM 337 HD3 ARG A 19 3.701 8.314 0.642 1.00 0.00 H -ATOM 338 HE ARG A 19 4.508 8.224 -2.224 1.00 0.00 H -ATOM 339 HH11 ARG A 19 6.569 7.766 -0.167 1.00 0.00 H -ATOM 340 HH12 ARG A 19 7.268 9.337 0.040 1.00 0.00 H -ATOM 341 HH21 ARG A 19 4.631 11.003 -1.473 1.00 0.00 H -ATOM 342 HH22 ARG A 19 6.171 11.170 -0.697 1.00 0.00 H -ATOM 343 N ASP A 20 4.793 3.132 1.798 1.00 0.00 N -ATOM 344 CA ASP A 20 5.817 2.295 2.486 1.00 0.00 C -ATOM 345 C ASP A 20 5.732 0.884 1.904 1.00 0.00 C -ATOM 346 O ASP A 20 6.728 0.244 1.630 1.00 0.00 O -ATOM 347 CB ASP A 20 5.423 2.303 3.966 1.00 0.00 C -ATOM 348 CG ASP A 20 6.260 3.347 4.707 1.00 0.00 C -ATOM 349 OD1 ASP A 20 6.511 4.393 4.130 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.632 3.085 5.839 1.00 0.00 O -ATOM 351 H ASP A 20 3.948 3.340 2.248 1.00 0.00 H -ATOM 352 HA ASP A 20 6.804 2.709 2.352 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.374 2.546 4.061 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.608 1.329 4.393 1.00 0.00 H -ATOM 355 N PHE A 21 4.528 0.423 1.678 1.00 0.00 N -ATOM 356 CA PHE A 21 4.322 -0.925 1.066 1.00 0.00 C -ATOM 357 C PHE A 21 4.949 -0.941 -0.330 1.00 0.00 C -ATOM 358 O PHE A 21 5.857 -1.693 -0.628 1.00 0.00 O -ATOM 359 CB PHE A 21 2.800 -1.065 0.934 1.00 0.00 C -ATOM 360 CG PHE A 21 2.489 -2.291 0.123 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.570 -3.535 0.733 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.146 -2.179 -1.232 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.299 -4.694 -0.003 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.873 -3.337 -1.972 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.947 -4.595 -1.357 1.00 0.00 C -ATOM 366 H PHE A 21 3.753 0.987 1.885 1.00 0.00 H -ATOM 367 HA PHE A 21 4.713 -1.719 1.689 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.364 -1.155 1.909 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.390 -0.199 0.444 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.857 -3.597 1.773 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.097 -1.198 -1.707 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.355 -5.663 0.471 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.611 -3.260 -3.015 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.736 -5.488 -1.927 1.00 0.00 H -ATOM 375 N ILE A 22 4.426 -0.097 -1.178 1.00 0.00 N -ATOM 376 CA ILE A 22 4.904 0.014 -2.594 1.00 0.00 C -ATOM 377 C ILE A 22 6.439 0.072 -2.629 1.00 0.00 C -ATOM 378 O ILE A 22 7.073 -0.373 -3.566 1.00 0.00 O -ATOM 379 CB ILE A 22 4.304 1.337 -3.093 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.765 1.245 -3.097 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.800 1.633 -4.512 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.291 0.192 -4.096 1.00 0.00 C -ATOM 383 H ILE A 22 3.698 0.473 -0.869 1.00 0.00 H -ATOM 384 HA ILE A 22 4.526 -0.807 -3.192 1.00 0.00 H -ATOM 385 HB ILE A 22 4.613 2.137 -2.435 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.411 0.970 -2.117 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.351 2.203 -3.370 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.439 2.600 -4.826 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.425 0.872 -5.179 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.879 1.626 -4.525 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.802 -0.608 -3.564 1.00 0.00 H -ATOM 392 HD12 ILE A 22 3.136 -0.200 -4.638 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.598 0.646 -4.785 1.00 0.00 H -ATOM 394 N GLU A 23 7.023 0.621 -1.597 1.00 0.00 N -ATOM 395 CA GLU A 23 8.511 0.722 -1.531 1.00 0.00 C -ATOM 396 C GLU A 23 9.113 -0.614 -1.092 1.00 0.00 C -ATOM 397 O GLU A 23 10.192 -0.985 -1.514 1.00 0.00 O -ATOM 398 CB GLU A 23 8.791 1.804 -0.487 1.00 0.00 C -ATOM 399 CG GLU A 23 10.297 2.055 -0.403 1.00 0.00 C -ATOM 400 CD GLU A 23 10.776 2.713 -1.698 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.429 3.862 -1.920 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.482 2.057 -2.448 1.00 0.00 O -ATOM 403 H GLU A 23 6.475 0.967 -0.858 1.00 0.00 H -ATOM 404 HA GLU A 23 8.911 1.020 -2.487 1.00 0.00 H -ATOM 405 HB2 GLU A 23 8.288 2.717 -0.771 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.429 1.478 0.476 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.508 2.706 0.433 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.812 1.116 -0.268 1.00 0.00 H -ATOM 409 N LYS A 24 8.420 -1.340 -0.252 1.00 0.00 N -ATOM 410 CA LYS A 24 8.946 -2.658 0.213 1.00 0.00 C -ATOM 411 C LYS A 24 8.800 -3.691 -0.903 1.00 0.00 C -ATOM 412 O LYS A 24 9.768 -4.286 -1.340 1.00 0.00 O -ATOM 413 CB LYS A 24 8.082 -3.039 1.417 1.00 0.00 C -ATOM 414 CG LYS A 24 8.888 -3.932 2.361 1.00 0.00 C -ATOM 415 CD LYS A 24 8.214 -3.962 3.735 1.00 0.00 C -ATOM 416 CE LYS A 24 8.461 -2.632 4.463 1.00 0.00 C -ATOM 417 NZ LYS A 24 7.112 -2.012 4.606 1.00 0.00 N -ATOM 418 H LYS A 24 7.550 -1.019 0.069 1.00 0.00 H -ATOM 419 HA LYS A 24 9.979 -2.567 0.512 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.779 -2.144 1.939 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.207 -3.572 1.078 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.931 -4.935 1.959 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.889 -3.541 2.461 1.00 0.00 H -ATOM 424 HD2 LYS A 24 7.152 -4.116 3.610 1.00 0.00 H -ATOM 425 HD3 LYS A 24 8.627 -4.770 4.320 1.00 0.00 H -ATOM 426 HE2 LYS A 24 8.897 -2.814 5.435 1.00 0.00 H -ATOM 427 HE3 LYS A 24 9.101 -1.991 3.877 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 6.742 -1.766 3.665 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 7.187 -1.151 5.185 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 6.468 -2.684 5.068 1.00 0.00 H -ATOM 431 N PHE A 25 7.595 -3.904 -1.368 1.00 0.00 N -ATOM 432 CA PHE A 25 7.373 -4.891 -2.457 1.00 0.00 C -ATOM 433 C PHE A 25 7.701 -4.263 -3.817 1.00 0.00 C -ATOM 434 O PHE A 25 6.862 -4.186 -4.695 1.00 0.00 O -ATOM 435 CB PHE A 25 5.888 -5.259 -2.366 1.00 0.00 C -ATOM 436 CG PHE A 25 5.551 -6.289 -3.416 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.295 -7.472 -3.508 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.493 -6.057 -4.299 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.979 -8.423 -4.485 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.175 -7.007 -5.276 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.918 -8.191 -5.370 1.00 0.00 C -ATOM 442 H PHE A 25 6.839 -3.414 -1.000 1.00 0.00 H -ATOM 443 HA PHE A 25 7.974 -5.759 -2.287 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.678 -5.662 -1.386 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.288 -4.375 -2.527 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.112 -7.650 -2.825 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.921 -5.144 -4.225 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.552 -9.334 -4.558 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.357 -6.827 -5.958 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.673 -8.923 -6.124 1.00 0.00 H -ATOM 451 N LYS A 26 8.918 -3.814 -3.992 1.00 0.00 N -ATOM 452 CA LYS A 26 9.317 -3.186 -5.293 1.00 0.00 C -ATOM 453 C LYS A 26 9.482 -4.243 -6.389 1.00 0.00 C -ATOM 454 O LYS A 26 9.511 -3.930 -7.564 1.00 0.00 O -ATOM 455 CB LYS A 26 10.656 -2.511 -5.010 1.00 0.00 C -ATOM 456 CG LYS A 26 10.417 -1.122 -4.415 1.00 0.00 C -ATOM 457 CD LYS A 26 10.298 -0.096 -5.544 1.00 0.00 C -ATOM 458 CE LYS A 26 11.658 0.569 -5.779 1.00 0.00 C -ATOM 459 NZ LYS A 26 11.790 0.664 -7.260 1.00 0.00 N -ATOM 460 H LYS A 26 9.572 -3.889 -3.266 1.00 0.00 H -ATOM 461 HA LYS A 26 8.592 -2.455 -5.589 1.00 0.00 H -ATOM 462 HB2 LYS A 26 11.217 -3.114 -4.311 1.00 0.00 H -ATOM 463 HB3 LYS A 26 11.213 -2.416 -5.930 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.502 -1.132 -3.838 1.00 0.00 H -ATOM 465 HG3 LYS A 26 11.244 -0.857 -3.775 1.00 0.00 H -ATOM 466 HD2 LYS A 26 9.978 -0.592 -6.450 1.00 0.00 H -ATOM 467 HD3 LYS A 26 9.574 0.657 -5.271 1.00 0.00 H -ATOM 468 HE2 LYS A 26 11.674 1.555 -5.333 1.00 0.00 H -ATOM 469 HE3 LYS A 26 12.450 -0.041 -5.375 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.722 -0.286 -7.676 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 12.713 1.083 -7.498 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 11.029 1.261 -7.639 1.00 0.00 H -ATOM 473 N GLY A 27 9.600 -5.490 -6.013 1.00 0.00 N -ATOM 474 CA GLY A 27 9.776 -6.588 -7.020 1.00 0.00 C -ATOM 475 C GLY A 27 8.710 -6.491 -8.119 1.00 0.00 C -ATOM 476 O GLY A 27 8.999 -6.116 -9.240 1.00 0.00 O -ATOM 477 H GLY A 27 9.581 -5.706 -5.061 1.00 0.00 H -ATOM 478 HA2 GLY A 27 10.757 -6.508 -7.464 1.00 0.00 H -ATOM 479 HA3 GLY A 27 9.685 -7.543 -6.523 1.00 0.00 H -ATOM 480 N ARG A 28 7.486 -6.828 -7.805 1.00 0.00 N -ATOM 481 CA ARG A 28 6.398 -6.758 -8.828 1.00 0.00 C -ATOM 482 C ARG A 28 5.816 -5.344 -8.887 1.00 0.00 C -ATOM 483 O ARG A 28 5.833 -4.675 -7.867 1.00 0.00 O -ATOM 484 CB ARG A 28 5.341 -7.754 -8.350 1.00 0.00 C -ATOM 485 CG ARG A 28 4.607 -8.341 -9.558 1.00 0.00 C -ATOM 486 CD ARG A 28 3.380 -7.483 -9.876 1.00 0.00 C -ATOM 487 NE ARG A 28 2.569 -8.306 -10.814 1.00 0.00 N -ATOM 488 CZ ARG A 28 2.478 -7.965 -12.069 1.00 0.00 C -ATOM 489 NH1 ARG A 28 3.490 -8.156 -12.872 1.00 0.00 N -ATOM 490 NH2 ARG A 28 1.378 -7.429 -12.523 1.00 0.00 N -ATOM 491 OXT ARG A 28 5.360 -4.955 -9.950 1.00 0.00 O -ATOM 492 H ARG A 28 7.280 -7.128 -6.895 1.00 0.00 H -ATOM 493 HA ARG A 28 6.772 -7.053 -9.796 1.00 0.00 H -ATOM 494 HB2 ARG A 28 5.820 -8.549 -7.797 1.00 0.00 H -ATOM 495 HB3 ARG A 28 4.633 -7.247 -7.714 1.00 0.00 H -ATOM 496 HG2 ARG A 28 5.271 -8.354 -10.410 1.00 0.00 H -ATOM 497 HG3 ARG A 28 4.290 -9.348 -9.331 1.00 0.00 H -ATOM 498 HD2 ARG A 28 2.823 -7.277 -8.973 1.00 0.00 H -ATOM 499 HD3 ARG A 28 3.679 -6.563 -10.355 1.00 0.00 H -ATOM 500 HE ARG A 28 2.103 -9.105 -10.488 1.00 0.00 H -ATOM 501 HH11 ARG A 28 4.333 -8.564 -12.522 1.00 0.00 H -ATOM 502 HH12 ARG A 28 3.420 -7.894 -13.834 1.00 0.00 H -ATOM 503 HH21 ARG A 28 0.603 -7.281 -11.908 1.00 0.00 H -ATOM 504 HH22 ARG A 28 1.308 -7.167 -13.485 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 26 -ATOM 1 N GLU A 1 -14.001 9.690 3.817 1.00 0.00 N -ATOM 2 CA GLU A 1 -13.246 8.414 3.643 1.00 0.00 C -ATOM 3 C GLU A 1 -12.138 8.592 2.602 1.00 0.00 C -ATOM 4 O GLU A 1 -12.009 9.638 1.993 1.00 0.00 O -ATOM 5 CB GLU A 1 -14.284 7.405 3.150 1.00 0.00 C -ATOM 6 CG GLU A 1 -14.951 6.729 4.349 1.00 0.00 C -ATOM 7 CD GLU A 1 -13.922 5.876 5.093 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -13.205 5.141 4.434 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -13.867 5.973 6.308 1.00 0.00 O -ATOM 10 H1 GLU A 1 -14.305 10.042 2.888 1.00 0.00 H -ATOM 11 H2 GLU A 1 -13.387 10.395 4.274 1.00 0.00 H -ATOM 12 H3 GLU A 1 -14.837 9.520 4.411 1.00 0.00 H -ATOM 13 HA GLU A 1 -12.833 8.089 4.584 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -15.031 7.916 2.561 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -13.797 6.656 2.544 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -15.342 7.485 5.016 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -15.757 6.100 4.006 1.00 0.00 H -ATOM 18 N GLN A 2 -11.339 7.577 2.395 1.00 0.00 N -ATOM 19 CA GLN A 2 -10.236 7.674 1.393 1.00 0.00 C -ATOM 20 C GLN A 2 -10.311 6.500 0.412 1.00 0.00 C -ATOM 21 O GLN A 2 -11.152 5.631 0.537 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.946 7.612 2.213 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.920 8.585 1.629 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.030 9.132 2.749 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -7.402 9.109 3.905 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -5.861 9.629 2.450 1.00 0.00 N -ATOM 27 H GLN A 2 -11.467 6.745 2.899 1.00 0.00 H -ATOM 28 HA GLN A 2 -10.292 8.612 0.863 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -9.159 7.884 3.238 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -8.548 6.609 2.183 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -7.309 8.069 0.902 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -8.434 9.404 1.149 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -5.561 9.648 1.516 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -5.283 9.981 3.158 1.00 0.00 H -ATOM 35 N TYR A 3 -9.441 6.475 -0.568 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.459 5.364 -1.573 1.00 0.00 C -ATOM 37 C TYR A 3 -9.368 3.995 -0.902 1.00 0.00 C -ATOM 38 O TYR A 3 -9.140 3.883 0.287 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.250 5.594 -2.483 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.994 5.784 -1.668 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.450 4.727 -0.921 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.376 7.035 -1.663 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.290 4.935 -0.175 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.218 7.239 -0.918 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.673 6.191 -0.173 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.524 6.394 0.562 1.00 0.00 O -ATOM 47 H TYR A 3 -8.779 7.193 -0.653 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.351 5.423 -2.156 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.127 4.744 -3.137 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.423 6.480 -3.074 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.922 3.753 -0.916 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.796 7.846 -2.238 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.874 4.128 0.397 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.747 8.207 -0.916 1.00 0.00 H -ATOM 55 HH TYR A 3 -3.626 7.214 1.051 1.00 0.00 H -ATOM 56 N THR A 4 -9.542 2.954 -1.673 1.00 0.00 N -ATOM 57 CA THR A 4 -9.463 1.574 -1.117 1.00 0.00 C -ATOM 58 C THR A 4 -8.496 0.733 -1.949 1.00 0.00 C -ATOM 59 O THR A 4 -8.731 -0.433 -2.195 1.00 0.00 O -ATOM 60 CB THR A 4 -10.884 1.006 -1.205 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.541 1.518 -2.358 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.665 1.398 0.050 1.00 0.00 C -ATOM 63 H THR A 4 -9.719 3.082 -2.629 1.00 0.00 H -ATOM 64 HA THR A 4 -9.142 1.604 -0.087 1.00 0.00 H -ATOM 65 HB THR A 4 -10.835 -0.070 -1.268 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.932 0.778 -2.829 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.151 1.026 0.924 1.00 0.00 H -ATOM 68 HG22 THR A 4 -12.657 0.970 0.006 1.00 0.00 H -ATOM 69 HG23 THR A 4 -11.741 2.474 0.107 1.00 0.00 H -ATOM 70 N ALA A 5 -7.401 1.319 -2.379 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.392 0.566 -3.194 1.00 0.00 C -ATOM 72 C ALA A 5 -6.035 -0.753 -2.517 1.00 0.00 C -ATOM 73 O ALA A 5 -5.694 -0.764 -1.358 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.154 1.455 -3.216 1.00 0.00 C -ATOM 75 H ALA A 5 -7.242 2.256 -2.163 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.754 0.406 -4.194 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.453 2.492 -3.184 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.593 1.263 -4.117 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.539 1.225 -2.350 1.00 0.00 H -ATOM 80 N LYS A 6 -6.100 -1.850 -3.221 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.754 -3.155 -2.576 1.00 0.00 C -ATOM 82 C LYS A 6 -4.574 -3.809 -3.287 1.00 0.00 C -ATOM 83 O LYS A 6 -4.452 -3.765 -4.496 1.00 0.00 O -ATOM 84 CB LYS A 6 -7.000 -4.048 -2.659 1.00 0.00 C -ATOM 85 CG LYS A 6 -8.265 -3.263 -2.284 1.00 0.00 C -ATOM 86 CD LYS A 6 -9.464 -4.213 -2.254 1.00 0.00 C -ATOM 87 CE LYS A 6 -9.851 -4.593 -3.684 1.00 0.00 C -ATOM 88 NZ LYS A 6 -11.122 -5.356 -3.549 1.00 0.00 N -ATOM 89 H LYS A 6 -6.370 -1.815 -4.161 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.499 -2.992 -1.545 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -7.099 -4.435 -3.660 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -6.879 -4.866 -1.967 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -8.136 -2.812 -1.311 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -8.439 -2.492 -3.019 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -9.203 -5.104 -1.701 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -10.298 -3.724 -1.775 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -10.005 -3.702 -4.280 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -9.091 -5.216 -4.127 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -11.875 -4.721 -3.218 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -10.993 -6.126 -2.862 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -11.386 -5.756 -4.473 1.00 0.00 H -ATOM 102 N TYR A 7 -3.696 -4.405 -2.524 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.494 -5.059 -3.111 1.00 0.00 C -ATOM 104 C TYR A 7 -2.392 -6.496 -2.608 1.00 0.00 C -ATOM 105 O TYR A 7 -2.297 -6.737 -1.420 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.316 -4.243 -2.604 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.380 -2.874 -3.214 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.323 -1.953 -2.764 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.487 -2.529 -4.221 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.382 -0.678 -3.324 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.531 -1.255 -4.786 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.481 -0.324 -4.340 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.530 0.938 -4.898 1.00 0.00 O -ATOM 114 H TYR A 7 -3.826 -4.409 -1.553 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.526 -5.020 -4.188 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.364 -4.165 -1.531 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.394 -4.721 -2.891 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -3.015 -2.234 -1.986 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.234 -3.256 -4.567 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -3.114 0.034 -2.964 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.174 -0.987 -5.557 1.00 0.00 H -ATOM 122 HH TYR A 7 -0.633 1.269 -4.960 1.00 0.00 H -ATOM 123 N LYS A 8 -2.415 -7.452 -3.499 1.00 0.00 N -ATOM 124 CA LYS A 8 -2.324 -8.892 -3.079 1.00 0.00 C -ATOM 125 C LYS A 8 -3.346 -9.206 -1.974 1.00 0.00 C -ATOM 126 O LYS A 8 -3.161 -10.118 -1.190 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.897 -9.066 -2.551 1.00 0.00 C -ATOM 128 CG LYS A 8 -0.505 -10.542 -2.612 1.00 0.00 C -ATOM 129 CD LYS A 8 0.185 -10.831 -3.946 1.00 0.00 C -ATOM 130 CE LYS A 8 1.687 -10.559 -3.817 1.00 0.00 C -ATOM 131 NZ LYS A 8 2.063 -9.870 -5.083 1.00 0.00 N -ATOM 132 H LYS A 8 -2.493 -7.223 -4.449 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.479 -9.539 -3.928 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.216 -8.486 -3.158 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.848 -8.724 -1.528 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.170 -10.769 -1.799 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -1.390 -11.153 -2.527 1.00 0.00 H -ATOM 138 HD2 LYS A 8 0.027 -11.866 -4.216 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -0.231 -10.192 -4.711 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.883 -9.920 -2.967 1.00 0.00 H -ATOM 141 HE3 LYS A 8 2.231 -11.486 -3.727 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 1.628 -8.926 -5.108 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 1.727 -10.428 -5.895 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 3.097 -9.773 -5.133 1.00 0.00 H -ATOM 145 N GLY A 9 -4.418 -8.453 -1.908 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.454 -8.698 -0.858 1.00 0.00 C -ATOM 147 C GLY A 9 -5.193 -7.791 0.350 1.00 0.00 C -ATOM 148 O GLY A 9 -5.361 -8.196 1.485 1.00 0.00 O -ATOM 149 H GLY A 9 -4.544 -7.726 -2.551 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.433 -8.487 -1.263 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.410 -9.730 -0.544 1.00 0.00 H -ATOM 152 N ARG A 10 -4.786 -6.568 0.114 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.513 -5.626 1.248 1.00 0.00 C -ATOM 154 C ARG A 10 -4.948 -4.208 0.870 1.00 0.00 C -ATOM 155 O ARG A 10 -4.221 -3.492 0.208 1.00 0.00 O -ATOM 156 CB ARG A 10 -2.995 -5.671 1.452 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.553 -7.103 1.775 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.043 -7.132 2.047 1.00 0.00 C -ATOM 159 NE ARG A 10 -0.909 -7.643 3.441 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.140 -6.849 4.452 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.632 -5.648 4.470 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.880 -7.260 5.446 1.00 0.00 N -ATOM 163 H ARG A 10 -4.658 -6.266 -0.810 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.017 -5.954 2.143 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.501 -5.333 0.551 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.725 -5.022 2.272 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.087 -7.456 2.645 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.775 -7.744 0.934 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.551 -7.799 1.354 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -0.625 -6.140 1.976 1.00 0.00 H -ATOM 171 HE ARG A 10 -0.647 -8.574 3.599 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -0.065 -5.333 3.708 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -0.810 -5.041 5.244 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -2.268 -8.181 5.433 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -2.057 -6.653 6.221 1.00 0.00 H -ATOM 176 N THR A 11 -6.126 -3.795 1.280 1.00 0.00 N -ATOM 177 CA THR A 11 -6.594 -2.419 0.926 1.00 0.00 C -ATOM 178 C THR A 11 -5.720 -1.358 1.610 1.00 0.00 C -ATOM 179 O THR A 11 -5.037 -1.636 2.577 1.00 0.00 O -ATOM 180 CB THR A 11 -8.030 -2.309 1.437 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.807 -3.373 0.904 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.614 -0.964 0.987 1.00 0.00 C -ATOM 183 H THR A 11 -6.699 -4.388 1.810 1.00 0.00 H -ATOM 184 HA THR A 11 -6.585 -2.298 -0.142 1.00 0.00 H -ATOM 185 HB THR A 11 -8.039 -2.357 2.514 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.135 -3.897 1.638 1.00 0.00 H -ATOM 187 HG21 THR A 11 -8.451 -0.225 1.759 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.671 -1.070 0.805 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.121 -0.644 0.078 1.00 0.00 H -ATOM 190 N PHE A 12 -5.746 -0.141 1.117 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.931 0.943 1.739 1.00 0.00 C -ATOM 192 C PHE A 12 -5.800 2.167 2.030 1.00 0.00 C -ATOM 193 O PHE A 12 -6.426 2.724 1.149 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.844 1.280 0.717 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.746 0.273 0.855 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.827 -0.905 0.126 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.659 0.508 1.712 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.822 -1.871 0.244 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.650 -0.457 1.831 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.734 -1.648 1.097 1.00 0.00 C -ATOM 201 H PHE A 12 -6.306 0.057 0.341 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.476 0.588 2.649 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.248 1.228 -0.294 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.455 2.269 0.906 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.674 -1.065 -0.534 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.604 1.428 2.284 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.890 -2.788 -0.316 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.194 -0.283 2.483 1.00 0.00 H -ATOM 209 HZ PHE A 12 0.043 -2.393 1.188 1.00 0.00 H -ATOM 210 N ARG A 13 -5.830 2.588 3.267 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.639 3.783 3.645 1.00 0.00 C -ATOM 212 C ARG A 13 -5.707 4.877 4.165 1.00 0.00 C -ATOM 213 O ARG A 13 -6.029 5.601 5.088 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.592 3.300 4.747 1.00 0.00 C -ATOM 215 CG ARG A 13 -6.797 2.709 5.918 1.00 0.00 C -ATOM 216 CD ARG A 13 -7.562 2.942 7.224 1.00 0.00 C -ATOM 217 NE ARG A 13 -6.899 2.056 8.221 1.00 0.00 N -ATOM 218 CZ ARG A 13 -7.586 1.125 8.826 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -8.268 0.260 8.125 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -7.590 1.056 10.128 1.00 0.00 N -ATOM 221 H ARG A 13 -5.309 2.118 3.952 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.204 4.139 2.797 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.181 4.134 5.100 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.248 2.543 4.345 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -6.663 1.648 5.763 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -5.832 3.189 5.980 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -7.484 3.978 7.524 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -8.598 2.659 7.108 1.00 0.00 H -ATOM 229 HE ARG A 13 -5.949 2.174 8.425 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -8.264 0.311 7.126 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -8.793 -0.454 8.587 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -7.067 1.719 10.665 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -8.116 0.342 10.590 1.00 0.00 H -ATOM 234 N ASN A 14 -4.545 4.990 3.573 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.559 6.023 4.014 1.00 0.00 C -ATOM 236 C ASN A 14 -2.392 6.082 3.026 1.00 0.00 C -ATOM 237 O ASN A 14 -1.908 5.064 2.567 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.074 5.556 5.393 1.00 0.00 C -ATOM 239 CG ASN A 14 -3.036 6.744 6.357 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -4.034 7.084 6.958 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.917 7.393 6.531 1.00 0.00 N -ATOM 242 H ASN A 14 -4.317 4.385 2.833 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.036 6.989 4.095 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.749 4.805 5.775 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.082 5.136 5.304 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -1.110 7.119 6.046 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.884 8.156 7.146 1.00 0.00 H -ATOM 248 N GLU A 15 -1.944 7.264 2.691 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.811 7.395 1.722 1.00 0.00 C -ATOM 250 C GLU A 15 0.493 6.896 2.352 1.00 0.00 C -ATOM 251 O GLU A 15 1.276 6.217 1.716 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.721 8.890 1.411 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.339 9.085 -0.058 1.00 0.00 C -ATOM 254 CD GLU A 15 -1.035 10.332 -0.606 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -2.252 10.316 -0.698 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -0.340 11.282 -0.926 1.00 0.00 O -ATOM 257 H GLU A 15 -2.358 8.067 3.074 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.026 6.845 0.819 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.679 9.354 1.600 1.00 0.00 H -ATOM 260 HB3 GLU A 15 0.031 9.344 2.040 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.733 9.205 -0.138 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.648 8.223 -0.628 1.00 0.00 H -ATOM 263 N LYS A 16 0.732 7.231 3.597 1.00 0.00 N -ATOM 264 CA LYS A 16 1.988 6.786 4.276 1.00 0.00 C -ATOM 265 C LYS A 16 2.119 5.266 4.227 1.00 0.00 C -ATOM 266 O LYS A 16 3.181 4.724 3.986 1.00 0.00 O -ATOM 267 CB LYS A 16 1.856 7.261 5.725 1.00 0.00 C -ATOM 268 CG LYS A 16 1.982 8.785 5.778 1.00 0.00 C -ATOM 269 CD LYS A 16 2.695 9.196 7.068 1.00 0.00 C -ATOM 270 CE LYS A 16 3.219 10.628 6.931 1.00 0.00 C -ATOM 271 NZ LYS A 16 2.004 11.487 6.961 1.00 0.00 N -ATOM 272 H LYS A 16 0.088 7.783 4.081 1.00 0.00 H -ATOM 273 HA LYS A 16 2.832 7.245 3.817 1.00 0.00 H -ATOM 274 HB2 LYS A 16 0.892 6.963 6.111 1.00 0.00 H -ATOM 275 HB3 LYS A 16 2.637 6.816 6.321 1.00 0.00 H -ATOM 276 HG2 LYS A 16 2.550 9.131 4.926 1.00 0.00 H -ATOM 277 HG3 LYS A 16 0.997 9.229 5.758 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.002 9.144 7.895 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.523 8.527 7.250 1.00 0.00 H -ATOM 280 HE2 LYS A 16 3.874 10.868 7.757 1.00 0.00 H -ATOM 281 HE3 LYS A 16 3.736 10.750 5.991 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 1.433 11.252 7.798 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 1.441 11.324 6.103 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 2.290 12.488 7.004 1.00 0.00 H -ATOM 285 N GLU A 17 1.039 4.587 4.461 1.00 0.00 N -ATOM 286 CA GLU A 17 1.056 3.091 4.441 1.00 0.00 C -ATOM 287 C GLU A 17 1.429 2.576 3.052 1.00 0.00 C -ATOM 288 O GLU A 17 2.440 1.928 2.862 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.381 2.665 4.759 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.689 2.901 6.234 1.00 0.00 C -ATOM 291 CD GLU A 17 0.209 2.013 7.099 1.00 0.00 C -ATOM 292 OE1 GLU A 17 1.320 2.427 7.385 1.00 0.00 O -ATOM 293 OE2 GLU A 17 -0.231 0.934 7.461 1.00 0.00 O -ATOM 294 H GLU A 17 0.211 5.069 4.652 1.00 0.00 H -ATOM 295 HA GLU A 17 1.731 2.705 5.187 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.065 3.242 4.154 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.501 1.617 4.533 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.516 3.939 6.476 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.723 2.655 6.420 1.00 0.00 H -ATOM 300 N LEU A 18 0.585 2.835 2.094 1.00 0.00 N -ATOM 301 CA LEU A 18 0.823 2.345 0.707 1.00 0.00 C -ATOM 302 C LEU A 18 2.187 2.776 0.166 1.00 0.00 C -ATOM 303 O LEU A 18 2.951 1.952 -0.296 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.305 2.952 -0.127 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.325 2.305 -1.510 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.780 0.850 -1.390 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.297 3.068 -2.410 1.00 0.00 C -ATOM 308 H LEU A 18 -0.232 3.334 2.299 1.00 0.00 H -ATOM 309 HA LEU A 18 0.751 1.275 0.688 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.250 2.778 0.365 1.00 0.00 H -ATOM 311 HB3 LEU A 18 -0.144 4.015 -0.232 1.00 0.00 H -ATOM 312 HG LEU A 18 0.666 2.340 -1.936 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.438 0.431 -0.463 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.371 0.277 -2.209 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.858 0.809 -1.425 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.268 3.109 -1.939 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.380 2.561 -3.360 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -0.931 4.071 -2.569 1.00 0.00 H -ATOM 319 N ARG A 19 2.509 4.048 0.201 1.00 0.00 N -ATOM 320 CA ARG A 19 3.839 4.492 -0.338 1.00 0.00 C -ATOM 321 C ARG A 19 4.968 3.681 0.315 1.00 0.00 C -ATOM 322 O ARG A 19 5.961 3.367 -0.314 1.00 0.00 O -ATOM 323 CB ARG A 19 3.956 5.974 0.020 1.00 0.00 C -ATOM 324 CG ARG A 19 2.984 6.790 -0.837 1.00 0.00 C -ATOM 325 CD ARG A 19 3.627 8.127 -1.213 1.00 0.00 C -ATOM 326 NE ARG A 19 3.039 8.480 -2.536 1.00 0.00 N -ATOM 327 CZ ARG A 19 3.774 8.427 -3.612 1.00 0.00 C -ATOM 328 NH1 ARG A 19 4.293 7.291 -3.993 1.00 0.00 N -ATOM 329 NH2 ARG A 19 3.992 9.509 -4.308 1.00 0.00 N -ATOM 330 H ARG A 19 1.881 4.704 0.568 1.00 0.00 H -ATOM 331 HA ARG A 19 3.861 4.362 -1.414 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.721 6.111 1.065 1.00 0.00 H -ATOM 333 HB3 ARG A 19 4.966 6.307 -0.168 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.745 6.239 -1.736 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.079 6.973 -0.277 1.00 0.00 H -ATOM 336 HD2 ARG A 19 3.383 8.881 -0.476 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.697 8.019 -1.302 1.00 0.00 H -ATOM 338 HE ARG A 19 2.099 8.752 -2.596 1.00 0.00 H -ATOM 339 HH11 ARG A 19 4.126 6.462 -3.459 1.00 0.00 H -ATOM 340 HH12 ARG A 19 4.856 7.250 -4.817 1.00 0.00 H -ATOM 341 HH21 ARG A 19 3.596 10.380 -4.017 1.00 0.00 H -ATOM 342 HH22 ARG A 19 4.556 9.467 -5.133 1.00 0.00 H -ATOM 343 N ASP A 20 4.794 3.307 1.559 1.00 0.00 N -ATOM 344 CA ASP A 20 5.827 2.476 2.243 1.00 0.00 C -ATOM 345 C ASP A 20 5.722 1.054 1.692 1.00 0.00 C -ATOM 346 O ASP A 20 6.710 0.389 1.444 1.00 0.00 O -ATOM 347 CB ASP A 20 5.460 2.512 3.728 1.00 0.00 C -ATOM 348 CG ASP A 20 6.355 3.521 4.451 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.504 3.193 4.700 1.00 0.00 O -ATOM 350 OD2 ASP A 20 5.877 4.604 4.742 1.00 0.00 O -ATOM 351 H ASP A 20 3.968 3.549 2.029 1.00 0.00 H -ATOM 352 HA ASP A 20 6.814 2.880 2.083 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.425 2.804 3.837 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.606 1.533 4.159 1.00 0.00 H -ATOM 355 N PHE A 21 4.513 0.609 1.469 1.00 0.00 N -ATOM 356 CA PHE A 21 4.289 -0.752 0.895 1.00 0.00 C -ATOM 357 C PHE A 21 4.847 -0.800 -0.530 1.00 0.00 C -ATOM 358 O PHE A 21 5.728 -1.570 -0.858 1.00 0.00 O -ATOM 359 CB PHE A 21 2.763 -0.908 0.833 1.00 0.00 C -ATOM 360 CG PHE A 21 2.445 -2.162 0.069 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.558 -3.384 0.714 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.070 -2.097 -1.283 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.290 -4.570 0.023 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.804 -3.283 -1.978 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.912 -4.519 -1.325 1.00 0.00 C -ATOM 366 H PHE A 21 3.745 1.189 1.660 1.00 0.00 H -ATOM 367 HA PHE A 21 4.712 -1.530 1.515 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.370 -0.978 1.828 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.321 -0.062 0.336 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.864 -3.408 1.750 1.00 0.00 H -ATOM 371 HD2 PHE A 21 1.998 -1.131 -1.792 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.379 -5.522 0.526 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.518 -3.248 -3.016 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.705 -5.434 -1.862 1.00 0.00 H -ATOM 375 N ILE A 22 4.285 0.028 -1.369 1.00 0.00 N -ATOM 376 CA ILE A 22 4.683 0.101 -2.814 1.00 0.00 C -ATOM 377 C ILE A 22 6.211 0.111 -2.942 1.00 0.00 C -ATOM 378 O ILE A 22 6.774 -0.388 -3.898 1.00 0.00 O -ATOM 379 CB ILE A 22 4.079 1.422 -3.307 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.541 1.346 -3.220 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.502 1.683 -4.757 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.997 0.291 -4.181 1.00 0.00 C -ATOM 383 H ILE A 22 3.576 0.608 -1.036 1.00 0.00 H -ATOM 384 HA ILE A 22 4.253 -0.725 -3.369 1.00 0.00 H -ATOM 385 HB ILE A 22 4.434 2.229 -2.682 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.243 1.079 -2.219 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.120 2.308 -3.474 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.122 2.640 -5.077 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.097 0.904 -5.386 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.578 1.679 -4.825 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.512 -0.486 -3.614 1.00 0.00 H -ATOM 392 HD12 ILE A 22 2.808 -0.131 -4.753 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.285 0.751 -4.848 1.00 0.00 H -ATOM 394 N GLU A 23 6.871 0.664 -1.961 1.00 0.00 N -ATOM 395 CA GLU A 23 8.362 0.703 -1.982 1.00 0.00 C -ATOM 396 C GLU A 23 8.917 -0.515 -1.240 1.00 0.00 C -ATOM 397 O GLU A 23 9.974 -1.023 -1.564 1.00 0.00 O -ATOM 398 CB GLU A 23 8.739 1.996 -1.260 1.00 0.00 C -ATOM 399 CG GLU A 23 8.520 3.188 -2.196 1.00 0.00 C -ATOM 400 CD GLU A 23 9.585 3.180 -3.292 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.757 3.210 -2.953 1.00 0.00 O -ATOM 402 OE2 GLU A 23 9.213 3.143 -4.454 1.00 0.00 O -ATOM 403 H GLU A 23 6.380 1.044 -1.200 1.00 0.00 H -ATOM 404 HA GLU A 23 8.725 0.724 -2.999 1.00 0.00 H -ATOM 405 HB2 GLU A 23 8.121 2.110 -0.380 1.00 0.00 H -ATOM 406 HB3 GLU A 23 9.778 1.957 -0.969 1.00 0.00 H -ATOM 407 HG2 GLU A 23 7.539 3.116 -2.644 1.00 0.00 H -ATOM 408 HG3 GLU A 23 8.592 4.106 -1.632 1.00 0.00 H -ATOM 409 N LYS A 24 8.199 -0.993 -0.252 1.00 0.00 N -ATOM 410 CA LYS A 24 8.669 -2.187 0.511 1.00 0.00 C -ATOM 411 C LYS A 24 8.488 -3.446 -0.339 1.00 0.00 C -ATOM 412 O LYS A 24 9.263 -4.379 -0.257 1.00 0.00 O -ATOM 413 CB LYS A 24 7.777 -2.251 1.755 1.00 0.00 C -ATOM 414 CG LYS A 24 8.212 -3.424 2.643 1.00 0.00 C -ATOM 415 CD LYS A 24 6.976 -4.114 3.231 1.00 0.00 C -ATOM 416 CE LYS A 24 6.714 -3.583 4.642 1.00 0.00 C -ATOM 417 NZ LYS A 24 6.305 -4.776 5.433 1.00 0.00 N -ATOM 418 H LYS A 24 7.347 -0.566 -0.020 1.00 0.00 H -ATOM 419 HA LYS A 24 9.700 -2.070 0.802 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.866 -1.327 2.309 1.00 0.00 H -ATOM 421 HB3 LYS A 24 6.750 -2.392 1.452 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.772 -4.135 2.052 1.00 0.00 H -ATOM 423 HG3 LYS A 24 8.833 -3.055 3.445 1.00 0.00 H -ATOM 424 HD2 LYS A 24 6.119 -3.913 2.604 1.00 0.00 H -ATOM 425 HD3 LYS A 24 7.148 -5.179 3.276 1.00 0.00 H -ATOM 426 HE2 LYS A 24 7.614 -3.146 5.052 1.00 0.00 H -ATOM 427 HE3 LYS A 24 5.915 -2.858 4.629 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 5.502 -5.243 4.967 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 6.024 -4.481 6.388 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 7.104 -5.440 5.495 1.00 0.00 H -ATOM 431 N PHE A 25 7.462 -3.475 -1.157 1.00 0.00 N -ATOM 432 CA PHE A 25 7.202 -4.666 -2.029 1.00 0.00 C -ATOM 433 C PHE A 25 8.487 -5.094 -2.780 1.00 0.00 C -ATOM 434 O PHE A 25 9.286 -5.850 -2.259 1.00 0.00 O -ATOM 435 CB PHE A 25 6.071 -4.206 -2.980 1.00 0.00 C -ATOM 436 CG PHE A 25 5.867 -5.193 -4.112 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.622 -6.544 -3.840 1.00 0.00 C -ATOM 438 CD2 PHE A 25 5.932 -4.745 -5.435 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.443 -7.446 -4.897 1.00 0.00 C -ATOM 440 CE2 PHE A 25 5.755 -5.641 -6.491 1.00 0.00 C -ATOM 441 CZ PHE A 25 5.510 -6.995 -6.223 1.00 0.00 C -ATOM 442 H PHE A 25 6.852 -2.708 -1.192 1.00 0.00 H -ATOM 443 HA PHE A 25 6.851 -5.479 -1.432 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.152 -4.118 -2.420 1.00 0.00 H -ATOM 445 HB3 PHE A 25 6.327 -3.241 -3.394 1.00 0.00 H -ATOM 446 HD1 PHE A 25 5.573 -6.890 -2.818 1.00 0.00 H -ATOM 447 HD2 PHE A 25 6.120 -3.701 -5.640 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.255 -8.489 -4.691 1.00 0.00 H -ATOM 449 HE2 PHE A 25 5.811 -5.290 -7.512 1.00 0.00 H -ATOM 450 HZ PHE A 25 5.372 -7.690 -7.038 1.00 0.00 H -ATOM 451 N LYS A 26 8.677 -4.642 -3.991 1.00 0.00 N -ATOM 452 CA LYS A 26 9.876 -5.032 -4.777 1.00 0.00 C -ATOM 453 C LYS A 26 10.228 -3.928 -5.773 1.00 0.00 C -ATOM 454 O LYS A 26 11.245 -3.268 -5.664 1.00 0.00 O -ATOM 455 CB LYS A 26 9.425 -6.285 -5.514 1.00 0.00 C -ATOM 456 CG LYS A 26 9.203 -7.414 -4.513 1.00 0.00 C -ATOM 457 CD LYS A 26 9.125 -8.750 -5.254 1.00 0.00 C -ATOM 458 CE LYS A 26 9.415 -9.895 -4.280 1.00 0.00 C -ATOM 459 NZ LYS A 26 10.872 -10.167 -4.431 1.00 0.00 N -ATOM 460 H LYS A 26 8.025 -4.063 -4.393 1.00 0.00 H -ATOM 461 HA LYS A 26 10.704 -5.250 -4.139 1.00 0.00 H -ATOM 462 HB2 LYS A 26 8.494 -6.072 -6.017 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.172 -6.578 -6.234 1.00 0.00 H -ATOM 464 HG2 LYS A 26 10.022 -7.435 -3.807 1.00 0.00 H -ATOM 465 HG3 LYS A 26 8.277 -7.240 -3.986 1.00 0.00 H -ATOM 466 HD2 LYS A 26 8.135 -8.873 -5.669 1.00 0.00 H -ATOM 467 HD3 LYS A 26 9.854 -8.764 -6.050 1.00 0.00 H -ATOM 468 HE2 LYS A 26 9.190 -9.590 -3.267 1.00 0.00 H -ATOM 469 HE3 LYS A 26 8.845 -10.771 -4.547 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.171 -10.860 -3.717 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 11.405 -9.285 -4.301 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 11.055 -10.547 -5.384 1.00 0.00 H -ATOM 473 N GLY A 27 9.382 -3.737 -6.740 1.00 0.00 N -ATOM 474 CA GLY A 27 9.616 -2.690 -7.773 1.00 0.00 C -ATOM 475 C GLY A 27 10.378 -3.293 -8.956 1.00 0.00 C -ATOM 476 O GLY A 27 10.011 -3.102 -10.100 1.00 0.00 O -ATOM 477 H GLY A 27 8.582 -4.291 -6.784 1.00 0.00 H -ATOM 478 HA2 GLY A 27 8.661 -2.313 -8.113 1.00 0.00 H -ATOM 479 HA3 GLY A 27 10.192 -1.884 -7.347 1.00 0.00 H -ATOM 480 N ARG A 28 11.435 -4.022 -8.690 1.00 0.00 N -ATOM 481 CA ARG A 28 12.223 -4.641 -9.800 1.00 0.00 C -ATOM 482 C ARG A 28 11.463 -5.836 -10.384 1.00 0.00 C -ATOM 483 O ARG A 28 10.481 -6.239 -9.784 1.00 0.00 O -ATOM 484 CB ARG A 28 13.531 -5.104 -9.156 1.00 0.00 C -ATOM 485 CG ARG A 28 14.467 -5.648 -10.237 1.00 0.00 C -ATOM 486 CD ARG A 28 15.881 -5.812 -9.666 1.00 0.00 C -ATOM 487 NE ARG A 28 16.661 -4.676 -10.234 1.00 0.00 N -ATOM 488 CZ ARG A 28 17.330 -3.884 -9.443 1.00 0.00 C -ATOM 489 NH1 ARG A 28 18.474 -4.271 -8.949 1.00 0.00 N -ATOM 490 NH2 ARG A 28 16.856 -2.704 -9.146 1.00 0.00 N -ATOM 491 OXT ARG A 28 11.878 -6.327 -11.421 1.00 0.00 O -ATOM 492 H ARG A 28 11.708 -4.161 -7.760 1.00 0.00 H -ATOM 493 HA ARG A 28 12.428 -3.913 -10.569 1.00 0.00 H -ATOM 494 HB2 ARG A 28 14.002 -4.268 -8.656 1.00 0.00 H -ATOM 495 HB3 ARG A 28 13.324 -5.882 -8.436 1.00 0.00 H -ATOM 496 HG2 ARG A 28 14.104 -6.608 -10.575 1.00 0.00 H -ATOM 497 HG3 ARG A 28 14.494 -4.961 -11.069 1.00 0.00 H -ATOM 498 HD2 ARG A 28 15.861 -5.754 -8.586 1.00 0.00 H -ATOM 499 HD3 ARG A 28 16.309 -6.749 -9.985 1.00 0.00 H -ATOM 500 HE ARG A 28 16.671 -4.525 -11.202 1.00 0.00 H -ATOM 501 HH11 ARG A 28 18.837 -5.174 -9.175 1.00 0.00 H -ATOM 502 HH12 ARG A 28 18.988 -3.664 -8.342 1.00 0.00 H -ATOM 503 HH21 ARG A 28 15.980 -2.408 -9.526 1.00 0.00 H -ATOM 504 HH22 ARG A 28 17.370 -2.097 -8.540 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 27 -ATOM 1 N GLU A 1 -17.228 7.149 0.213 1.00 0.00 N -ATOM 2 CA GLU A 1 -16.550 6.867 -1.085 1.00 0.00 C -ATOM 3 C GLU A 1 -15.120 7.416 -1.066 1.00 0.00 C -ATOM 4 O GLU A 1 -14.900 8.599 -1.250 1.00 0.00 O -ATOM 5 CB GLU A 1 -17.389 7.592 -2.137 1.00 0.00 C -ATOM 6 CG GLU A 1 -17.116 6.987 -3.516 1.00 0.00 C -ATOM 7 CD GLU A 1 -18.373 7.094 -4.380 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -18.599 8.157 -4.935 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -19.089 6.111 -4.473 1.00 0.00 O -ATOM 10 H1 GLU A 1 -18.171 6.710 0.215 1.00 0.00 H -ATOM 11 H2 GLU A 1 -17.325 8.178 0.336 1.00 0.00 H -ATOM 12 H3 GLU A 1 -16.663 6.757 0.992 1.00 0.00 H -ATOM 13 HA GLU A 1 -16.544 5.807 -1.285 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -18.437 7.485 -1.898 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -17.127 8.640 -2.148 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -16.306 7.523 -3.989 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -16.844 5.948 -3.405 1.00 0.00 H -ATOM 18 N GLN A 2 -14.152 6.563 -0.847 1.00 0.00 N -ATOM 19 CA GLN A 2 -12.733 7.026 -0.815 1.00 0.00 C -ATOM 20 C GLN A 2 -11.781 5.849 -1.073 1.00 0.00 C -ATOM 21 O GLN A 2 -12.131 4.881 -1.719 1.00 0.00 O -ATOM 22 CB GLN A 2 -12.532 7.613 0.591 1.00 0.00 C -ATOM 23 CG GLN A 2 -11.560 8.805 0.523 1.00 0.00 C -ATOM 24 CD GLN A 2 -12.349 10.098 0.305 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -12.739 10.752 1.251 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -12.603 10.494 -0.912 1.00 0.00 N -ATOM 27 H GLN A 2 -14.360 5.616 -0.703 1.00 0.00 H -ATOM 28 HA GLN A 2 -12.569 7.792 -1.552 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -13.484 7.947 0.979 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -12.124 6.855 1.242 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -11.005 8.872 1.450 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -10.866 8.668 -0.296 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -12.289 9.966 -1.676 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -13.107 11.321 -1.063 1.00 0.00 H -ATOM 35 N TYR A 3 -10.572 5.967 -0.590 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.504 4.933 -0.776 1.00 0.00 C -ATOM 37 C TYR A 3 -9.992 3.490 -0.904 1.00 0.00 C -ATOM 38 O TYR A 3 -10.829 3.015 -0.163 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.646 5.059 0.482 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.441 5.876 0.154 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.324 5.259 -0.406 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -7.453 7.249 0.386 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.204 6.017 -0.737 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -6.340 8.016 0.061 1.00 0.00 C -ATOM 45 CZ TYR A 3 -5.207 7.404 -0.504 1.00 0.00 C -ATOM 46 OH TYR A 3 -4.101 8.163 -0.829 1.00 0.00 O -ATOM 47 H TYR A 3 -10.343 6.782 -0.109 1.00 0.00 H -ATOM 48 HA TYR A 3 -8.906 5.183 -1.636 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -9.213 5.547 1.263 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.336 4.081 0.819 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.331 4.191 -0.583 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -8.325 7.716 0.820 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.342 5.535 -1.173 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -6.359 9.079 0.239 1.00 0.00 H -ATOM 55 HH TYR A 3 -3.865 8.687 -0.061 1.00 0.00 H -ATOM 56 N THR A 4 -9.396 2.788 -1.828 1.00 0.00 N -ATOM 57 CA THR A 4 -9.708 1.354 -2.038 1.00 0.00 C -ATOM 58 C THR A 4 -8.527 0.690 -2.763 1.00 0.00 C -ATOM 59 O THR A 4 -8.692 -0.297 -3.454 1.00 0.00 O -ATOM 60 CB THR A 4 -10.969 1.302 -2.902 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.859 2.342 -2.519 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.651 -0.056 -2.707 1.00 0.00 C -ATOM 63 H THR A 4 -8.700 3.212 -2.373 1.00 0.00 H -ATOM 64 HA THR A 4 -9.890 0.871 -1.093 1.00 0.00 H -ATOM 65 HB THR A 4 -10.702 1.418 -3.941 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.119 2.188 -1.609 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.353 -0.477 -1.753 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.357 -0.724 -3.502 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.723 0.074 -2.723 1.00 0.00 H -ATOM 70 N ALA A 5 -7.333 1.235 -2.617 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.148 0.648 -3.303 1.00 0.00 C -ATOM 72 C ALA A 5 -5.817 -0.719 -2.734 1.00 0.00 C -ATOM 73 O ALA A 5 -5.606 -0.851 -1.557 1.00 0.00 O -ATOM 74 CB ALA A 5 -4.982 1.590 -3.004 1.00 0.00 C -ATOM 75 H ALA A 5 -7.217 2.033 -2.063 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.316 0.596 -4.360 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.364 2.549 -2.690 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.385 1.709 -3.895 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.368 1.162 -2.212 1.00 0.00 H -ATOM 80 N LYS A 6 -5.724 -1.715 -3.562 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.353 -3.068 -3.055 1.00 0.00 C -ATOM 82 C LYS A 6 -4.059 -3.519 -3.721 1.00 0.00 C -ATOM 83 O LYS A 6 -3.834 -3.281 -4.892 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.509 -4.003 -3.409 1.00 0.00 C -ATOM 85 CG LYS A 6 -6.855 -3.884 -4.894 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.269 -5.254 -5.438 1.00 0.00 C -ATOM 87 CE LYS A 6 -8.354 -5.075 -6.503 1.00 0.00 C -ATOM 88 NZ LYS A 6 -9.638 -5.313 -5.786 1.00 0.00 N -ATOM 89 H LYS A 6 -5.863 -1.569 -4.517 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.224 -3.038 -1.984 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.218 -5.019 -3.187 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.372 -3.739 -2.817 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.670 -3.186 -5.011 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -5.993 -3.526 -5.435 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -6.410 -5.740 -5.877 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -7.655 -5.859 -4.633 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -8.324 -4.072 -6.905 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -8.231 -5.802 -7.291 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -9.665 -4.737 -4.922 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -9.713 -6.318 -5.532 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -10.433 -5.051 -6.404 1.00 0.00 H -ATOM 102 N TYR A 7 -3.197 -4.143 -2.969 1.00 0.00 N -ATOM 103 CA TYR A 7 -1.892 -4.592 -3.534 1.00 0.00 C -ATOM 104 C TYR A 7 -1.690 -6.095 -3.309 1.00 0.00 C -ATOM 105 O TYR A 7 -1.110 -6.780 -4.130 1.00 0.00 O -ATOM 106 CB TYR A 7 -0.848 -3.770 -2.782 1.00 0.00 C -ATOM 107 CG TYR A 7 -0.873 -2.369 -3.305 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -1.940 -1.530 -2.983 1.00 0.00 C -ATOM 109 CD2 TYR A 7 0.171 -1.913 -4.104 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -1.965 -0.221 -3.463 1.00 0.00 C -ATOM 111 CE2 TYR A 7 0.155 -0.607 -4.587 1.00 0.00 C -ATOM 112 CZ TYR A 7 -0.913 0.246 -4.268 1.00 0.00 C -ATOM 113 OH TYR A 7 -0.933 1.541 -4.745 1.00 0.00 O -ATOM 114 H TYR A 7 -3.407 -4.302 -2.026 1.00 0.00 H -ATOM 115 HA TYR A 7 -1.843 -4.359 -4.585 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.072 -3.751 -1.729 1.00 0.00 H -ATOM 117 HB3 TYR A 7 0.129 -4.187 -2.940 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.745 -1.895 -2.365 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.990 -2.571 -4.349 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.788 0.433 -3.200 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.969 -0.257 -5.200 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.433 1.548 -5.563 1.00 0.00 H -ATOM 123 N LYS A 8 -2.171 -6.611 -2.207 1.00 0.00 N -ATOM 124 CA LYS A 8 -2.022 -8.069 -1.921 1.00 0.00 C -ATOM 125 C LYS A 8 -3.147 -8.524 -0.990 1.00 0.00 C -ATOM 126 O LYS A 8 -2.907 -9.025 0.093 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.662 -8.201 -1.234 1.00 0.00 C -ATOM 128 CG LYS A 8 -0.231 -9.669 -1.230 1.00 0.00 C -ATOM 129 CD LYS A 8 0.543 -9.979 -2.513 1.00 0.00 C -ATOM 130 CE LYS A 8 0.568 -11.491 -2.742 1.00 0.00 C -ATOM 131 NZ LYS A 8 0.585 -11.655 -4.223 1.00 0.00 N -ATOM 132 H LYS A 8 -2.637 -6.040 -1.565 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.032 -8.638 -2.838 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.070 -7.611 -1.767 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.737 -7.848 -0.217 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.402 -9.856 -0.373 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -1.105 -10.301 -1.178 1.00 0.00 H -ATOM 138 HD2 LYS A 8 0.060 -9.495 -3.350 1.00 0.00 H -ATOM 139 HD3 LYS A 8 1.555 -9.614 -2.421 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.459 -11.922 -2.303 1.00 0.00 H -ATOM 141 HE3 LYS A 8 -0.316 -11.950 -2.329 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 -0.206 -11.122 -4.638 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 0.489 -12.662 -4.461 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 1.484 -11.296 -4.602 1.00 0.00 H -ATOM 145 N GLY A 9 -4.376 -8.332 -1.401 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.528 -8.730 -0.540 1.00 0.00 C -ATOM 147 C GLY A 9 -5.596 -7.783 0.660 1.00 0.00 C -ATOM 148 O GLY A 9 -6.017 -8.158 1.737 1.00 0.00 O -ATOM 149 H GLY A 9 -4.540 -7.914 -2.271 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.445 -8.664 -1.110 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.388 -9.741 -0.190 1.00 0.00 H -ATOM 152 N ARG A 10 -5.171 -6.556 0.476 1.00 0.00 N -ATOM 153 CA ARG A 10 -5.191 -5.569 1.596 1.00 0.00 C -ATOM 154 C ARG A 10 -5.431 -4.162 1.051 1.00 0.00 C -ATOM 155 O ARG A 10 -4.551 -3.579 0.445 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.792 -5.638 2.216 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.499 -7.063 2.696 1.00 0.00 C -ATOM 158 CD ARG A 10 -2.192 -7.075 3.491 1.00 0.00 C -ATOM 159 NE ARG A 10 -2.273 -8.289 4.347 1.00 0.00 N -ATOM 160 CZ ARG A 10 -2.152 -8.184 5.642 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -2.884 -7.327 6.299 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.297 -8.936 6.281 1.00 0.00 N -ATOM 163 H ARG A 10 -4.831 -6.285 -0.402 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.938 -5.832 2.328 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -3.058 -5.345 1.474 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.740 -4.961 3.056 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -4.308 -7.404 3.325 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -3.405 -7.718 1.844 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.347 -7.141 2.819 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -2.117 -6.192 4.107 1.00 0.00 H -ATOM 171 HE ARG A 10 -2.417 -9.168 3.938 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -3.539 -6.751 5.810 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -2.791 -7.247 7.292 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -0.736 -9.593 5.776 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -1.203 -8.856 7.273 1.00 0.00 H -ATOM 176 N THR A 11 -6.598 -3.602 1.264 1.00 0.00 N -ATOM 177 CA THR A 11 -6.845 -2.224 0.752 1.00 0.00 C -ATOM 178 C THR A 11 -5.970 -1.237 1.543 1.00 0.00 C -ATOM 179 O THR A 11 -5.751 -1.412 2.727 1.00 0.00 O -ATOM 180 CB THR A 11 -8.333 -1.936 0.973 1.00 0.00 C -ATOM 181 OG1 THR A 11 -9.110 -2.860 0.224 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.646 -0.509 0.511 1.00 0.00 C -ATOM 183 H THR A 11 -7.295 -4.079 1.761 1.00 0.00 H -ATOM 184 HA THR A 11 -6.618 -2.185 -0.301 1.00 0.00 H -ATOM 185 HB THR A 11 -8.574 -2.029 2.017 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.390 -3.562 0.817 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.716 -0.368 0.470 1.00 0.00 H -ATOM 188 HG22 THR A 11 -8.224 -0.348 -0.471 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.215 0.199 1.205 1.00 0.00 H -ATOM 190 N PHE A 12 -5.470 -0.207 0.904 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.611 0.779 1.626 1.00 0.00 C -ATOM 192 C PHE A 12 -5.391 2.060 1.899 1.00 0.00 C -ATOM 193 O PHE A 12 -5.616 2.865 1.021 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.417 1.029 0.703 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.518 -0.167 0.798 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.871 -1.323 0.117 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.347 -0.124 1.564 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.057 -2.461 0.197 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.526 -1.255 1.644 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.884 -2.427 0.963 1.00 0.00 C -ATOM 201 H PHE A 12 -5.657 -0.087 -0.051 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.264 0.354 2.554 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.755 1.148 -0.326 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -2.882 1.914 1.019 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.775 -1.330 -0.478 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.086 0.779 2.099 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.343 -3.369 -0.316 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.387 -1.221 2.223 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.252 -3.301 1.023 1.00 0.00 H -ATOM 210 N ARG A 13 -5.806 2.240 3.123 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.583 3.461 3.492 1.00 0.00 C -ATOM 212 C ARG A 13 -5.657 4.497 4.129 1.00 0.00 C -ATOM 213 O ARG A 13 -6.065 5.276 4.970 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.625 2.978 4.503 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.896 3.820 4.373 1.00 0.00 C -ATOM 216 CD ARG A 13 -10.076 3.057 4.979 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.969 4.111 5.537 1.00 0.00 N -ATOM 218 CZ ARG A 13 -10.894 4.428 6.800 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -11.211 3.551 7.713 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -10.501 5.622 7.151 1.00 0.00 N -ATOM 221 H ARG A 13 -5.602 1.565 3.804 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.073 3.873 2.624 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.858 1.940 4.309 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -7.230 3.077 5.502 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -8.762 4.756 4.896 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -9.094 4.015 3.330 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -10.589 2.492 4.213 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -9.737 2.405 5.768 1.00 0.00 H -ATOM 229 HE ARG A 13 -11.613 4.565 4.954 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -11.512 2.636 7.445 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -11.154 3.795 8.681 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -10.256 6.294 6.451 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -10.444 5.865 8.119 1.00 0.00 H -ATOM 234 N ASN A 14 -4.413 4.505 3.732 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.442 5.481 4.302 1.00 0.00 C -ATOM 236 C ASN A 14 -2.348 5.773 3.270 1.00 0.00 C -ATOM 237 O ASN A 14 -1.613 4.893 2.862 1.00 0.00 O -ATOM 238 CB ASN A 14 -2.883 4.781 5.551 1.00 0.00 C -ATOM 239 CG ASN A 14 -1.692 5.555 6.116 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -0.596 5.038 6.205 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.873 6.778 6.506 1.00 0.00 N -ATOM 242 H ASN A 14 -4.115 3.864 3.054 1.00 0.00 H -ATOM 243 HA ASN A 14 -3.947 6.392 4.582 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.655 4.742 6.304 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.575 3.780 5.298 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -2.761 7.181 6.435 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.125 7.293 6.873 1.00 0.00 H -ATOM 248 N GLU A 15 -2.242 7.006 2.844 1.00 0.00 N -ATOM 249 CA GLU A 15 -1.203 7.375 1.833 1.00 0.00 C -ATOM 250 C GLU A 15 0.194 7.001 2.343 1.00 0.00 C -ATOM 251 O GLU A 15 1.028 6.520 1.599 1.00 0.00 O -ATOM 252 CB GLU A 15 -1.330 8.889 1.667 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.900 9.285 0.253 1.00 0.00 C -ATOM 254 CD GLU A 15 -1.152 10.778 0.040 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -0.801 11.549 0.917 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -1.693 11.125 -0.997 1.00 0.00 O -ATOM 257 H GLU A 15 -2.853 7.691 3.191 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.403 6.884 0.894 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -2.359 9.181 1.826 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.699 9.385 2.388 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.152 9.075 0.126 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -1.470 8.719 -0.468 1.00 0.00 H -ATOM 263 N LYS A 16 0.448 7.215 3.610 1.00 0.00 N -ATOM 264 CA LYS A 16 1.784 6.871 4.183 1.00 0.00 C -ATOM 265 C LYS A 16 2.055 5.377 4.015 1.00 0.00 C -ATOM 266 O LYS A 16 3.139 4.960 3.657 1.00 0.00 O -ATOM 267 CB LYS A 16 1.694 7.234 5.666 1.00 0.00 C -ATOM 268 CG LYS A 16 3.023 7.831 6.131 1.00 0.00 C -ATOM 269 CD LYS A 16 2.891 8.313 7.579 1.00 0.00 C -ATOM 270 CE LYS A 16 1.935 9.512 7.642 1.00 0.00 C -ATOM 271 NZ LYS A 16 2.796 10.678 7.985 1.00 0.00 N -ATOM 272 H LYS A 16 -0.240 7.600 4.184 1.00 0.00 H -ATOM 273 HA LYS A 16 2.544 7.444 3.709 1.00 0.00 H -ATOM 274 HB2 LYS A 16 0.903 7.956 5.811 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.478 6.346 6.241 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.796 7.078 6.071 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.285 8.666 5.498 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.501 7.510 8.189 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.861 8.607 7.950 1.00 0.00 H -ATOM 280 HE2 LYS A 16 1.456 9.665 6.684 1.00 0.00 H -ATOM 281 HE3 LYS A 16 1.195 9.361 8.412 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 3.433 10.885 7.191 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 3.357 10.456 8.833 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 2.198 11.508 8.172 1.00 0.00 H -ATOM 285 N GLU A 17 1.061 4.583 4.274 1.00 0.00 N -ATOM 286 CA GLU A 17 1.206 3.098 4.142 1.00 0.00 C -ATOM 287 C GLU A 17 1.618 2.732 2.715 1.00 0.00 C -ATOM 288 O GLU A 17 2.625 2.089 2.490 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.185 2.533 4.445 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.245 2.064 5.898 1.00 0.00 C -ATOM 291 CD GLU A 17 -1.675 1.642 6.240 1.00 0.00 C -ATOM 292 OE1 GLU A 17 -2.159 0.705 5.625 1.00 0.00 O -ATOM 293 OE2 GLU A 17 -2.263 2.262 7.111 1.00 0.00 O -ATOM 294 H GLU A 17 0.211 4.971 4.558 1.00 0.00 H -ATOM 295 HA GLU A 17 1.924 2.720 4.854 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -0.926 3.302 4.284 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.384 1.698 3.791 1.00 0.00 H -ATOM 298 HG2 GLU A 17 0.420 1.224 6.029 1.00 0.00 H -ATOM 299 HG3 GLU A 17 0.055 2.871 6.549 1.00 0.00 H -ATOM 300 N LEU A 18 0.835 3.141 1.751 1.00 0.00 N -ATOM 301 CA LEU A 18 1.149 2.831 0.319 1.00 0.00 C -ATOM 302 C LEU A 18 2.577 3.265 -0.027 1.00 0.00 C -ATOM 303 O LEU A 18 3.335 2.514 -0.611 1.00 0.00 O -ATOM 304 CB LEU A 18 0.115 3.632 -0.489 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.336 2.841 -1.726 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.935 1.487 -1.304 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.392 3.653 -2.481 1.00 0.00 C -ATOM 308 H LEU A 18 0.030 3.653 1.971 1.00 0.00 H -ATOM 309 HA LEU A 18 1.029 1.778 0.133 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -0.744 3.834 0.135 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.555 4.566 -0.805 1.00 0.00 H -ATOM 312 HG LEU A 18 0.511 2.675 -2.368 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.875 1.392 -0.237 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.380 0.678 -1.766 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.969 1.430 -1.608 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.040 4.148 -1.773 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.977 2.991 -3.104 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -0.904 4.391 -3.100 1.00 0.00 H -ATOM 319 N ARG A 19 2.954 4.462 0.344 1.00 0.00 N -ATOM 320 CA ARG A 19 4.343 4.934 0.047 1.00 0.00 C -ATOM 321 C ARG A 19 5.376 3.995 0.688 1.00 0.00 C -ATOM 322 O ARG A 19 6.523 3.959 0.286 1.00 0.00 O -ATOM 323 CB ARG A 19 4.438 6.334 0.661 1.00 0.00 C -ATOM 324 CG ARG A 19 3.566 7.314 -0.140 1.00 0.00 C -ATOM 325 CD ARG A 19 4.364 8.586 -0.444 1.00 0.00 C -ATOM 326 NE ARG A 19 3.347 9.674 -0.497 1.00 0.00 N -ATOM 327 CZ ARG A 19 2.747 9.951 -1.622 1.00 0.00 C -ATOM 328 NH1 ARG A 19 1.697 9.269 -1.986 1.00 0.00 N -ATOM 329 NH2 ARG A 19 3.198 10.912 -2.383 1.00 0.00 N -ATOM 330 H ARG A 19 2.329 5.044 0.825 1.00 0.00 H -ATOM 331 HA ARG A 19 4.499 4.989 -1.019 1.00 0.00 H -ATOM 332 HB2 ARG A 19 4.092 6.299 1.684 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.465 6.664 0.639 1.00 0.00 H -ATOM 334 HG2 ARG A 19 3.259 6.853 -1.068 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.693 7.571 0.440 1.00 0.00 H -ATOM 336 HD2 ARG A 19 5.082 8.776 0.342 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.861 8.499 -1.398 1.00 0.00 H -ATOM 338 HE ARG A 19 3.131 10.182 0.313 1.00 0.00 H -ATOM 339 HH11 ARG A 19 1.352 8.533 -1.403 1.00 0.00 H -ATOM 340 HH12 ARG A 19 1.236 9.481 -2.848 1.00 0.00 H -ATOM 341 HH21 ARG A 19 4.004 11.435 -2.104 1.00 0.00 H -ATOM 342 HH22 ARG A 19 2.737 11.124 -3.245 1.00 0.00 H -ATOM 343 N ASP A 20 4.975 3.235 1.682 1.00 0.00 N -ATOM 344 CA ASP A 20 5.928 2.299 2.348 1.00 0.00 C -ATOM 345 C ASP A 20 5.742 0.875 1.814 1.00 0.00 C -ATOM 346 O ASP A 20 6.696 0.132 1.671 1.00 0.00 O -ATOM 347 CB ASP A 20 5.576 2.364 3.834 1.00 0.00 C -ATOM 348 CG ASP A 20 6.855 2.257 4.666 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.726 1.495 4.283 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.941 2.939 5.675 1.00 0.00 O -ATOM 351 H ASP A 20 4.047 3.280 1.991 1.00 0.00 H -ATOM 352 HA ASP A 20 6.944 2.627 2.196 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.084 3.302 4.046 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.916 1.546 4.084 1.00 0.00 H -ATOM 355 N PHE A 21 4.523 0.485 1.523 1.00 0.00 N -ATOM 356 CA PHE A 21 4.286 -0.897 1.003 1.00 0.00 C -ATOM 357 C PHE A 21 5.024 -1.113 -0.325 1.00 0.00 C -ATOM 358 O PHE A 21 6.012 -1.818 -0.387 1.00 0.00 O -ATOM 359 CB PHE A 21 2.777 -1.023 0.791 1.00 0.00 C -ATOM 360 CG PHE A 21 2.510 -2.420 0.303 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.430 -3.454 1.228 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.374 -2.679 -1.066 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.204 -4.766 0.795 1.00 0.00 C -ATOM 364 CE2 PHE A 21 2.149 -3.989 -1.503 1.00 0.00 C -ATOM 365 CZ PHE A 21 2.062 -5.033 -0.573 1.00 0.00 C -ATOM 366 H PHE A 21 3.769 1.098 1.648 1.00 0.00 H -ATOM 367 HA PHE A 21 4.599 -1.636 1.730 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.273 -0.858 1.725 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.429 -0.311 0.069 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.553 -3.235 2.279 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.452 -1.871 -1.785 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.141 -5.569 1.513 1.00 0.00 H -ATOM 373 HE2 PHE A 21 2.045 -4.195 -2.557 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.887 -6.045 -0.910 1.00 0.00 H -ATOM 375 N ILE A 22 4.530 -0.521 -1.390 1.00 0.00 N -ATOM 376 CA ILE A 22 5.169 -0.688 -2.738 1.00 0.00 C -ATOM 377 C ILE A 22 6.684 -0.465 -2.641 1.00 0.00 C -ATOM 378 O ILE A 22 7.463 -1.066 -3.358 1.00 0.00 O -ATOM 379 CB ILE A 22 4.514 0.378 -3.623 1.00 0.00 C -ATOM 380 CG1 ILE A 22 3.029 0.038 -3.798 1.00 0.00 C -ATOM 381 CG2 ILE A 22 5.179 0.382 -5.000 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.164 0.977 -2.963 1.00 0.00 C -ATOM 383 H ILE A 22 3.728 0.027 -1.301 1.00 0.00 H -ATOM 384 HA ILE A 22 4.945 -1.666 -3.138 1.00 0.00 H -ATOM 385 HB ILE A 22 4.618 1.350 -3.161 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.763 0.138 -4.836 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.854 -0.978 -3.480 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.768 1.183 -5.596 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.987 -0.564 -5.485 1.00 0.00 H -ATOM 390 HG23 ILE A 22 6.242 0.522 -4.888 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.783 0.443 -2.103 1.00 0.00 H -ATOM 392 HD12 ILE A 22 1.337 1.326 -3.562 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.752 1.819 -2.637 1.00 0.00 H -ATOM 394 N GLU A 23 7.089 0.389 -1.743 1.00 0.00 N -ATOM 395 CA GLU A 23 8.547 0.659 -1.567 1.00 0.00 C -ATOM 396 C GLU A 23 9.236 -0.593 -1.025 1.00 0.00 C -ATOM 397 O GLU A 23 10.361 -0.897 -1.377 1.00 0.00 O -ATOM 398 CB GLU A 23 8.630 1.803 -0.554 1.00 0.00 C -ATOM 399 CG GLU A 23 10.063 2.337 -0.500 1.00 0.00 C -ATOM 400 CD GLU A 23 10.182 3.371 0.620 1.00 0.00 C -ATOM 401 OE1 GLU A 23 9.259 4.154 0.777 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.193 3.363 1.302 1.00 0.00 O -ATOM 403 H GLU A 23 6.427 0.847 -1.178 1.00 0.00 H -ATOM 404 HA GLU A 23 8.992 0.957 -2.503 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.961 2.598 -0.853 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.347 1.441 0.422 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.745 1.519 -0.311 1.00 0.00 H -ATOM 408 HG3 GLU A 23 10.310 2.800 -1.443 1.00 0.00 H -ATOM 409 N LYS A 24 8.558 -1.329 -0.181 1.00 0.00 N -ATOM 410 CA LYS A 24 9.153 -2.576 0.380 1.00 0.00 C -ATOM 411 C LYS A 24 8.869 -3.747 -0.563 1.00 0.00 C -ATOM 412 O LYS A 24 9.750 -4.521 -0.889 1.00 0.00 O -ATOM 413 CB LYS A 24 8.453 -2.785 1.724 1.00 0.00 C -ATOM 414 CG LYS A 24 9.273 -3.750 2.582 1.00 0.00 C -ATOM 415 CD LYS A 24 9.106 -3.389 4.060 1.00 0.00 C -ATOM 416 CE LYS A 24 7.811 -4.005 4.594 1.00 0.00 C -ATOM 417 NZ LYS A 24 7.970 -4.010 6.075 1.00 0.00 N -ATOM 418 H LYS A 24 7.649 -1.065 0.074 1.00 0.00 H -ATOM 419 HA LYS A 24 10.215 -2.456 0.528 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.361 -1.836 2.234 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.471 -3.201 1.557 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.928 -4.761 2.417 1.00 0.00 H -ATOM 423 HG3 LYS A 24 10.315 -3.677 2.311 1.00 0.00 H -ATOM 424 HD2 LYS A 24 9.947 -3.773 4.621 1.00 0.00 H -ATOM 425 HD3 LYS A 24 9.063 -2.316 4.165 1.00 0.00 H -ATOM 426 HE2 LYS A 24 6.962 -3.399 4.306 1.00 0.00 H -ATOM 427 HE3 LYS A 24 7.696 -5.014 4.231 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 7.101 -4.371 6.517 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 8.148 -3.042 6.408 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 8.772 -4.620 6.335 1.00 0.00 H -ATOM 431 N PHE A 25 7.643 -3.874 -1.006 1.00 0.00 N -ATOM 432 CA PHE A 25 7.286 -4.978 -1.929 1.00 0.00 C -ATOM 433 C PHE A 25 7.168 -4.451 -3.365 1.00 0.00 C -ATOM 434 O PHE A 25 6.102 -4.454 -3.952 1.00 0.00 O -ATOM 435 CB PHE A 25 5.937 -5.496 -1.428 1.00 0.00 C -ATOM 436 CG PHE A 25 5.551 -6.727 -2.210 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.359 -7.868 -2.164 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.383 -6.725 -2.981 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.999 -9.010 -2.890 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.023 -7.867 -3.707 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.830 -9.009 -3.662 1.00 0.00 C -ATOM 442 H PHE A 25 6.959 -3.243 -0.733 1.00 0.00 H -ATOM 443 HA PHE A 25 8.020 -5.750 -1.870 1.00 0.00 H -ATOM 444 HB2 PHE A 25 6.014 -5.744 -0.380 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.185 -4.733 -1.565 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.260 -7.867 -1.568 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.761 -5.843 -3.015 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.622 -9.891 -2.855 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.121 -7.866 -4.302 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.552 -9.889 -4.222 1.00 0.00 H -ATOM 451 N LYS A 26 8.259 -3.994 -3.928 1.00 0.00 N -ATOM 452 CA LYS A 26 8.224 -3.458 -5.328 1.00 0.00 C -ATOM 453 C LYS A 26 7.656 -4.495 -6.305 1.00 0.00 C -ATOM 454 O LYS A 26 7.179 -4.156 -7.372 1.00 0.00 O -ATOM 455 CB LYS A 26 9.680 -3.138 -5.675 1.00 0.00 C -ATOM 456 CG LYS A 26 10.092 -1.830 -4.994 1.00 0.00 C -ATOM 457 CD LYS A 26 11.457 -1.387 -5.524 1.00 0.00 C -ATOM 458 CE LYS A 26 11.730 0.056 -5.090 1.00 0.00 C -ATOM 459 NZ LYS A 26 11.270 0.894 -6.232 1.00 0.00 N -ATOM 460 H LYS A 26 9.102 -4.000 -3.428 1.00 0.00 H -ATOM 461 HA LYS A 26 7.635 -2.564 -5.363 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.315 -3.940 -5.331 1.00 0.00 H -ATOM 463 HB3 LYS A 26 9.780 -3.031 -6.745 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.357 -1.067 -5.205 1.00 0.00 H -ATOM 465 HG3 LYS A 26 10.156 -1.985 -3.927 1.00 0.00 H -ATOM 466 HD2 LYS A 26 12.225 -2.034 -5.127 1.00 0.00 H -ATOM 467 HD3 LYS A 26 11.461 -1.442 -6.602 1.00 0.00 H -ATOM 468 HE2 LYS A 26 11.168 0.291 -4.197 1.00 0.00 H -ATOM 469 HE3 LYS A 26 12.785 0.205 -4.923 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 11.872 0.712 -7.059 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 11.331 1.899 -5.971 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 10.285 0.654 -6.463 1.00 0.00 H -ATOM 473 N GLY A 27 7.704 -5.748 -5.945 1.00 0.00 N -ATOM 474 CA GLY A 27 7.168 -6.812 -6.839 1.00 0.00 C -ATOM 475 C GLY A 27 7.912 -8.125 -6.581 1.00 0.00 C -ATOM 476 O GLY A 27 7.414 -9.005 -5.905 1.00 0.00 O -ATOM 477 H GLY A 27 8.088 -5.988 -5.085 1.00 0.00 H -ATOM 478 HA2 GLY A 27 6.116 -6.948 -6.638 1.00 0.00 H -ATOM 479 HA3 GLY A 27 7.305 -6.520 -7.867 1.00 0.00 H -ATOM 480 N ARG A 28 9.097 -8.260 -7.118 1.00 0.00 N -ATOM 481 CA ARG A 28 9.881 -9.515 -6.911 1.00 0.00 C -ATOM 482 C ARG A 28 11.054 -9.255 -5.963 1.00 0.00 C -ATOM 483 O ARG A 28 12.012 -10.009 -6.018 1.00 0.00 O -ATOM 484 CB ARG A 28 10.389 -9.898 -8.302 1.00 0.00 C -ATOM 485 CG ARG A 28 9.222 -10.414 -9.147 1.00 0.00 C -ATOM 486 CD ARG A 28 9.671 -10.566 -10.604 1.00 0.00 C -ATOM 487 NE ARG A 28 9.969 -12.016 -10.763 1.00 0.00 N -ATOM 488 CZ ARG A 28 9.061 -12.818 -11.249 1.00 0.00 C -ATOM 489 NH1 ARG A 28 8.613 -12.638 -12.462 1.00 0.00 N -ATOM 490 NH2 ARG A 28 8.602 -13.801 -10.523 1.00 0.00 N -ATOM 491 OXT ARG A 28 10.974 -8.308 -5.198 1.00 0.00 O -ATOM 492 H ARG A 28 9.472 -7.534 -7.660 1.00 0.00 H -ATOM 493 HA ARG A 28 9.247 -10.295 -6.522 1.00 0.00 H -ATOM 494 HB2 ARG A 28 10.823 -9.031 -8.778 1.00 0.00 H -ATOM 495 HB3 ARG A 28 11.135 -10.672 -8.212 1.00 0.00 H -ATOM 496 HG2 ARG A 28 8.899 -11.371 -8.768 1.00 0.00 H -ATOM 497 HG3 ARG A 28 8.403 -9.712 -9.098 1.00 0.00 H -ATOM 498 HD2 ARG A 28 8.877 -10.266 -11.273 1.00 0.00 H -ATOM 499 HD3 ARG A 28 10.560 -9.984 -10.787 1.00 0.00 H -ATOM 500 HE ARG A 28 10.846 -12.368 -10.504 1.00 0.00 H -ATOM 501 HH11 ARG A 28 8.965 -11.885 -13.017 1.00 0.00 H -ATOM 502 HH12 ARG A 28 7.917 -13.252 -12.834 1.00 0.00 H -ATOM 503 HH21 ARG A 28 8.947 -13.940 -9.594 1.00 0.00 H -ATOM 504 HH22 ARG A 28 7.908 -14.416 -10.895 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 28 -ATOM 1 N GLU A 1 -17.513 7.813 0.209 1.00 0.00 N -ATOM 2 CA GLU A 1 -16.599 6.788 -0.373 1.00 0.00 C -ATOM 3 C GLU A 1 -15.185 7.360 -0.511 1.00 0.00 C -ATOM 4 O GLU A 1 -15.006 8.548 -0.711 1.00 0.00 O -ATOM 5 CB GLU A 1 -17.184 6.465 -1.749 1.00 0.00 C -ATOM 6 CG GLU A 1 -16.461 5.253 -2.339 1.00 0.00 C -ATOM 7 CD GLU A 1 -16.894 5.056 -3.793 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -16.643 5.944 -4.591 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -17.471 4.020 -4.083 1.00 0.00 O -ATOM 10 H1 GLU A 1 -18.483 7.440 0.231 1.00 0.00 H -ATOM 11 H2 GLU A 1 -17.486 8.674 -0.377 1.00 0.00 H -ATOM 12 H3 GLU A 1 -17.208 8.041 1.176 1.00 0.00 H -ATOM 13 HA GLU A 1 -16.588 5.901 0.241 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -18.237 6.243 -1.647 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -17.056 7.313 -2.402 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -15.394 5.417 -2.299 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -16.711 4.372 -1.768 1.00 0.00 H -ATOM 18 N GLN A 2 -14.185 6.524 -0.406 1.00 0.00 N -ATOM 19 CA GLN A 2 -12.779 7.009 -0.529 1.00 0.00 C -ATOM 20 C GLN A 2 -11.839 5.840 -0.841 1.00 0.00 C -ATOM 21 O GLN A 2 -12.246 4.833 -1.385 1.00 0.00 O -ATOM 22 CB GLN A 2 -12.452 7.633 0.836 1.00 0.00 C -ATOM 23 CG GLN A 2 -11.533 8.853 0.644 1.00 0.00 C -ATOM 24 CD GLN A 2 -11.992 9.992 1.558 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -12.819 10.796 1.178 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -11.486 10.095 2.757 1.00 0.00 N -ATOM 27 H GLN A 2 -14.361 5.572 -0.245 1.00 0.00 H -ATOM 28 HA GLN A 2 -12.702 7.758 -1.298 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -13.370 7.941 1.318 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -11.951 6.902 1.454 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -10.510 8.582 0.889 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -11.577 9.181 -0.384 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -10.818 9.447 3.064 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -11.775 10.819 3.349 1.00 0.00 H -ATOM 35 N TYR A 3 -10.582 6.006 -0.511 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.508 4.983 -0.754 1.00 0.00 C -ATOM 37 C TYR A 3 -9.989 3.538 -0.910 1.00 0.00 C -ATOM 38 O TYR A 3 -10.814 3.046 -0.165 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.624 5.080 0.490 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.414 5.894 0.161 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.316 5.282 -0.440 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -7.402 7.258 0.443 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.191 6.039 -0.762 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -6.284 8.021 0.127 1.00 0.00 C -ATOM 45 CZ TYR A 3 -5.170 7.415 -0.479 1.00 0.00 C -ATOM 46 OH TYR A 3 -4.060 8.169 -0.795 1.00 0.00 O -ATOM 47 H TYR A 3 -10.321 6.852 -0.098 1.00 0.00 H -ATOM 48 HA TYR A 3 -8.931 5.263 -1.619 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -9.172 5.555 1.290 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.317 4.092 0.801 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.340 4.221 -0.657 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -8.259 7.721 0.909 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.342 5.563 -1.227 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -6.283 9.077 0.344 1.00 0.00 H -ATOM 55 HH TYR A 3 -4.274 8.707 -1.561 1.00 0.00 H -ATOM 56 N THR A 4 -9.412 2.857 -1.860 1.00 0.00 N -ATOM 57 CA THR A 4 -9.736 1.426 -2.086 1.00 0.00 C -ATOM 58 C THR A 4 -8.566 0.745 -2.806 1.00 0.00 C -ATOM 59 O THR A 4 -8.741 -0.257 -3.472 1.00 0.00 O -ATOM 60 CB THR A 4 -10.995 1.394 -2.957 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.844 2.484 -2.619 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.736 0.074 -2.715 1.00 0.00 C -ATOM 63 H THR A 4 -8.728 3.290 -2.411 1.00 0.00 H -ATOM 64 HA THR A 4 -9.931 0.938 -1.147 1.00 0.00 H -ATOM 65 HB THR A 4 -10.718 1.460 -3.996 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.251 2.804 -3.428 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.399 -0.369 -1.784 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.534 -0.606 -3.529 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.797 0.262 -2.658 1.00 0.00 H -ATOM 70 N ALA A 5 -7.367 1.283 -2.679 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.193 0.667 -3.356 1.00 0.00 C -ATOM 72 C ALA A 5 -5.888 -0.689 -2.751 1.00 0.00 C -ATOM 73 O ALA A 5 -5.679 -0.788 -1.570 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.014 1.595 -3.077 1.00 0.00 C -ATOM 75 H ALA A 5 -7.241 2.092 -2.142 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.364 0.592 -4.412 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.379 2.575 -2.808 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.399 1.666 -3.962 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.424 1.188 -2.256 1.00 0.00 H -ATOM 80 N LYS A 6 -5.807 -1.713 -3.546 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.459 -3.053 -2.987 1.00 0.00 C -ATOM 82 C LYS A 6 -4.170 -3.549 -3.629 1.00 0.00 C -ATOM 83 O LYS A 6 -3.937 -3.358 -4.809 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.628 -3.983 -3.308 1.00 0.00 C -ATOM 85 CG LYS A 6 -6.869 -4.034 -4.822 1.00 0.00 C -ATOM 86 CD LYS A 6 -6.623 -5.456 -5.339 1.00 0.00 C -ATOM 87 CE LYS A 6 -7.186 -5.588 -6.757 1.00 0.00 C -ATOM 88 NZ LYS A 6 -6.595 -6.847 -7.290 1.00 0.00 N -ATOM 89 H LYS A 6 -5.938 -1.593 -4.506 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.333 -2.983 -1.917 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.396 -4.972 -2.940 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.517 -3.618 -2.817 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.889 -3.747 -5.027 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.198 -3.353 -5.320 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -5.561 -5.656 -5.353 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -7.115 -6.166 -4.691 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -8.264 -5.659 -6.727 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -6.878 -4.749 -7.363 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -7.054 -7.090 -8.191 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -6.740 -7.616 -6.606 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -5.576 -6.714 -7.446 1.00 0.00 H -ATOM 102 N TYR A 7 -3.326 -4.167 -2.853 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.031 -4.665 -3.395 1.00 0.00 C -ATOM 104 C TYR A 7 -1.870 -6.157 -3.095 1.00 0.00 C -ATOM 105 O TYR A 7 -1.904 -6.983 -3.988 1.00 0.00 O -ATOM 106 CB TYR A 7 -0.971 -3.831 -2.679 1.00 0.00 C -ATOM 107 CG TYR A 7 -0.988 -2.450 -3.245 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.031 -1.584 -2.922 1.00 0.00 C -ATOM 109 CD2 TYR A 7 0.042 -2.036 -4.082 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.049 -0.293 -3.442 1.00 0.00 C -ATOM 111 CE2 TYR A 7 0.035 -0.747 -4.606 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.011 0.133 -4.287 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.021 1.412 -4.804 1.00 0.00 O -ATOM 114 H TYR A 7 -3.543 -4.294 -1.907 1.00 0.00 H -ATOM 115 HA TYR A 7 -1.975 -4.483 -4.457 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.186 -3.777 -1.624 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.001 -4.264 -2.831 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.827 -1.918 -2.274 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.843 -2.717 -4.327 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.855 0.383 -3.180 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.838 -0.431 -5.250 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.397 1.373 -5.686 1.00 0.00 H -ATOM 123 N LYS A 8 -1.710 -6.506 -1.846 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.565 -7.947 -1.475 1.00 0.00 C -ATOM 125 C LYS A 8 -2.841 -8.417 -0.771 1.00 0.00 C -ATOM 126 O LYS A 8 -2.799 -8.974 0.310 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.359 -7.997 -0.525 1.00 0.00 C -ATOM 128 CG LYS A 8 0.787 -8.773 -1.182 1.00 0.00 C -ATOM 129 CD LYS A 8 0.451 -10.265 -1.198 1.00 0.00 C -ATOM 130 CE LYS A 8 1.383 -10.989 -2.173 1.00 0.00 C -ATOM 131 NZ LYS A 8 0.654 -10.989 -3.472 1.00 0.00 N -ATOM 132 H LYS A 8 -1.699 -5.820 -1.146 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.377 -8.545 -2.354 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.030 -6.992 -0.305 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.640 -8.490 0.393 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.925 -8.422 -2.195 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.696 -8.617 -0.620 1.00 0.00 H -ATOM 138 HD2 LYS A 8 0.578 -10.674 -0.206 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -0.573 -10.400 -1.515 1.00 0.00 H -ATOM 140 HE2 LYS A 8 2.319 -10.454 -2.263 1.00 0.00 H -ATOM 141 HE3 LYS A 8 1.556 -12.002 -1.845 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 0.495 -10.007 -3.779 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 -0.261 -11.469 -3.356 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 1.219 -11.489 -4.186 1.00 0.00 H -ATOM 145 N GLY A 9 -3.978 -8.179 -1.375 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.268 -8.588 -0.745 1.00 0.00 C -ATOM 147 C GLY A 9 -5.534 -7.679 0.456 1.00 0.00 C -ATOM 148 O GLY A 9 -6.111 -8.092 1.444 1.00 0.00 O -ATOM 149 H GLY A 9 -3.983 -7.719 -2.240 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.069 -8.490 -1.464 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.200 -9.612 -0.412 1.00 0.00 H -ATOM 152 N ARG A 10 -5.103 -6.445 0.376 1.00 0.00 N -ATOM 153 CA ARG A 10 -5.308 -5.494 1.508 1.00 0.00 C -ATOM 154 C ARG A 10 -5.553 -4.084 0.973 1.00 0.00 C -ATOM 155 O ARG A 10 -4.673 -3.487 0.379 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.989 -5.516 2.289 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.687 -6.941 2.767 1.00 0.00 C -ATOM 158 CD ARG A 10 -2.436 -6.934 3.648 1.00 0.00 C -ATOM 159 NE ARG A 10 -2.188 -8.367 3.966 1.00 0.00 N -ATOM 160 CZ ARG A 10 -2.386 -8.814 5.176 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -1.420 -8.773 6.052 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -3.548 -9.304 5.511 1.00 0.00 N -ATOM 163 H ARG A 10 -4.634 -6.146 -0.431 1.00 0.00 H -ATOM 164 HA ARG A 10 -6.121 -5.814 2.139 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -3.188 -5.170 1.646 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -4.069 -4.862 3.144 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -4.527 -7.315 3.334 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -3.517 -7.578 1.912 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.597 -6.515 3.108 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -2.618 -6.380 4.556 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.878 -8.977 3.264 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -0.529 -8.399 5.796 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -1.571 -9.116 6.979 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -4.290 -9.338 4.840 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -3.699 -9.647 6.438 1.00 0.00 H -ATOM 176 N THR A 11 -6.726 -3.533 1.189 1.00 0.00 N -ATOM 177 CA THR A 11 -6.978 -2.149 0.696 1.00 0.00 C -ATOM 178 C THR A 11 -6.086 -1.180 1.488 1.00 0.00 C -ATOM 179 O THR A 11 -5.798 -1.411 2.648 1.00 0.00 O -ATOM 180 CB THR A 11 -8.464 -1.860 0.948 1.00 0.00 C -ATOM 181 OG1 THR A 11 -9.255 -2.740 0.159 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.775 -0.408 0.563 1.00 0.00 C -ATOM 183 H THR A 11 -7.420 -4.018 1.681 1.00 0.00 H -ATOM 184 HA THR A 11 -6.767 -2.096 -0.359 1.00 0.00 H -ATOM 185 HB THR A 11 -8.694 -2.008 1.988 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.015 -2.610 -0.761 1.00 0.00 H -ATOM 187 HG21 THR A 11 -8.448 0.253 1.353 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.838 -0.293 0.415 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.253 -0.156 -0.351 1.00 0.00 H -ATOM 190 N PHE A 12 -5.644 -0.110 0.878 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.771 0.856 1.605 1.00 0.00 C -ATOM 192 C PHE A 12 -5.539 2.136 1.910 1.00 0.00 C -ATOM 193 O PHE A 12 -5.775 2.958 1.050 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.582 1.108 0.676 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.658 -0.065 0.803 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.991 -1.247 0.158 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.488 0.023 1.564 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.157 -2.367 0.271 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.646 -1.090 1.678 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.983 -2.289 1.034 1.00 0.00 C -ATOM 201 H PHE A 12 -5.884 0.055 -0.059 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.419 0.411 2.524 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.919 1.189 -0.354 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.068 2.010 0.969 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.894 -1.288 -0.438 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.243 0.947 2.069 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.427 -3.295 -0.214 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.268 -1.023 2.253 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.336 -3.149 1.120 1.00 0.00 H -ATOM 210 N ARG A 13 -5.930 2.297 3.144 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.695 3.516 3.550 1.00 0.00 C -ATOM 212 C ARG A 13 -5.748 4.553 4.159 1.00 0.00 C -ATOM 213 O ARG A 13 -6.134 5.336 5.006 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.708 3.026 4.594 1.00 0.00 C -ATOM 215 CG ARG A 13 -6.980 2.385 5.788 1.00 0.00 C -ATOM 216 CD ARG A 13 -7.418 0.926 5.949 1.00 0.00 C -ATOM 217 NE ARG A 13 -6.399 0.316 6.848 1.00 0.00 N -ATOM 218 CZ ARG A 13 -5.752 -0.753 6.471 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -6.289 -1.932 6.627 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -4.565 -0.643 5.938 1.00 0.00 N -ATOM 221 H ARG A 13 -5.717 1.610 3.808 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.213 3.933 2.702 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.293 3.866 4.941 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.364 2.299 4.139 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -5.912 2.422 5.624 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -7.221 2.930 6.689 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -8.399 0.878 6.402 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -7.418 0.425 4.994 1.00 0.00 H -ATOM 229 HE ARG A 13 -6.216 0.718 7.722 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -7.198 -2.016 7.036 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -5.791 -2.750 6.340 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -4.152 0.260 5.819 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -4.069 -1.462 5.650 1.00 0.00 H -ATOM 234 N ASN A 14 -4.513 4.558 3.732 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.530 5.533 4.277 1.00 0.00 C -ATOM 236 C ASN A 14 -2.407 5.756 3.264 1.00 0.00 C -ATOM 237 O ASN A 14 -1.732 4.831 2.853 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.003 4.887 5.564 1.00 0.00 C -ATOM 239 CG ASN A 14 -1.903 5.753 6.172 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -0.780 5.319 6.329 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.192 6.968 6.519 1.00 0.00 N -ATOM 242 H ASN A 14 -4.232 3.914 3.049 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.018 6.467 4.507 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.812 4.804 6.273 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.611 3.906 5.344 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -3.103 7.304 6.385 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.507 7.546 6.914 1.00 0.00 H -ATOM 248 N GLU A 15 -2.208 6.983 2.866 1.00 0.00 N -ATOM 249 CA GLU A 15 -1.132 7.293 1.878 1.00 0.00 C -ATOM 250 C GLU A 15 0.236 6.896 2.441 1.00 0.00 C -ATOM 251 O GLU A 15 1.102 6.435 1.721 1.00 0.00 O -ATOM 252 CB GLU A 15 -1.214 8.805 1.670 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.751 9.150 0.254 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.109 10.537 0.248 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -0.617 11.406 0.937 1.00 0.00 O -ATOM 256 OE2 GLU A 15 0.880 10.708 -0.446 1.00 0.00 O -ATOM 257 H GLU A 15 -2.771 7.703 3.220 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.319 6.783 0.947 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -2.237 9.128 1.805 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.581 9.303 2.388 1.00 0.00 H -ATOM 261 HG2 GLU A 15 -0.028 8.416 -0.076 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -1.600 9.145 -0.414 1.00 0.00 H -ATOM 263 N LYS A 16 0.433 7.069 3.725 1.00 0.00 N -ATOM 264 CA LYS A 16 1.742 6.704 4.347 1.00 0.00 C -ATOM 265 C LYS A 16 2.037 5.222 4.130 1.00 0.00 C -ATOM 266 O LYS A 16 3.139 4.833 3.792 1.00 0.00 O -ATOM 267 CB LYS A 16 1.579 7.003 5.840 1.00 0.00 C -ATOM 268 CG LYS A 16 2.882 7.594 6.399 1.00 0.00 C -ATOM 269 CD LYS A 16 2.693 9.086 6.691 1.00 0.00 C -ATOM 270 CE LYS A 16 2.143 9.265 8.107 1.00 0.00 C -ATOM 271 NZ LYS A 16 3.343 9.487 8.961 1.00 0.00 N -ATOM 272 H LYS A 16 -0.278 7.443 4.279 1.00 0.00 H -ATOM 273 HA LYS A 16 2.519 7.302 3.936 1.00 0.00 H -ATOM 274 HB2 LYS A 16 0.771 7.708 5.977 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.348 6.088 6.365 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.143 7.080 7.313 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.677 7.469 5.679 1.00 0.00 H -ATOM 278 HD2 LYS A 16 3.645 9.591 6.606 1.00 0.00 H -ATOM 279 HD3 LYS A 16 1.998 9.506 5.980 1.00 0.00 H -ATOM 280 HE2 LYS A 16 1.484 10.122 8.147 1.00 0.00 H -ATOM 281 HE3 LYS A 16 1.624 8.374 8.425 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 3.987 8.676 8.871 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 3.050 9.587 9.953 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 3.831 10.353 8.652 1.00 0.00 H -ATOM 285 N GLU A 17 1.051 4.403 4.330 1.00 0.00 N -ATOM 286 CA GLU A 17 1.229 2.928 4.148 1.00 0.00 C -ATOM 287 C GLU A 17 1.618 2.614 2.704 1.00 0.00 C -ATOM 288 O GLU A 17 2.607 1.955 2.445 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.136 2.314 4.467 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.295 2.167 5.981 1.00 0.00 C -ATOM 291 CD GLU A 17 0.722 1.152 6.506 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.484 -0.034 6.346 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.724 1.578 7.057 1.00 0.00 O -ATOM 294 H GLU A 17 0.185 4.765 4.603 1.00 0.00 H -ATOM 295 HA GLU A 17 1.973 2.551 4.832 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -0.917 2.955 4.084 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.209 1.342 4.005 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.131 3.124 6.455 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.293 1.821 6.204 1.00 0.00 H -ATOM 300 N LEU A 18 0.838 3.081 1.763 1.00 0.00 N -ATOM 301 CA LEU A 18 1.138 2.815 0.319 1.00 0.00 C -ATOM 302 C LEU A 18 2.547 3.292 -0.033 1.00 0.00 C -ATOM 303 O LEU A 18 3.289 2.603 -0.709 1.00 0.00 O -ATOM 304 CB LEU A 18 0.075 3.612 -0.457 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.333 2.870 -1.738 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.869 1.465 -1.400 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.424 3.672 -2.454 1.00 0.00 C -ATOM 308 H LEU A 18 0.047 3.604 2.009 1.00 0.00 H -ATOM 309 HA LEU A 18 1.046 1.766 0.109 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -0.795 3.747 0.169 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.477 4.579 -0.720 1.00 0.00 H -ATOM 312 HG LEU A 18 0.523 2.784 -2.385 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.749 1.280 -0.351 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.322 0.716 -1.960 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.918 1.403 -1.651 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.079 4.122 -1.721 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.995 3.013 -3.091 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -0.968 4.446 -3.053 1.00 0.00 H -ATOM 319 N ARG A 19 2.926 4.452 0.429 1.00 0.00 N -ATOM 320 CA ARG A 19 4.298 4.959 0.127 1.00 0.00 C -ATOM 321 C ARG A 19 5.354 4.018 0.725 1.00 0.00 C -ATOM 322 O ARG A 19 6.498 4.018 0.310 1.00 0.00 O -ATOM 323 CB ARG A 19 4.372 6.341 0.780 1.00 0.00 C -ATOM 324 CG ARG A 19 3.442 7.305 0.037 1.00 0.00 C -ATOM 325 CD ARG A 19 3.038 8.448 0.971 1.00 0.00 C -ATOM 326 NE ARG A 19 4.161 9.421 0.895 1.00 0.00 N -ATOM 327 CZ ARG A 19 4.671 9.913 1.990 1.00 0.00 C -ATOM 328 NH1 ARG A 19 3.895 10.488 2.869 1.00 0.00 N -ATOM 329 NH2 ARG A 19 5.955 9.831 2.207 1.00 0.00 N -ATOM 330 H ARG A 19 2.314 4.982 0.982 1.00 0.00 H -ATOM 331 HA ARG A 19 4.437 5.044 -0.937 1.00 0.00 H -ATOM 332 HB2 ARG A 19 4.066 6.269 1.814 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.384 6.711 0.729 1.00 0.00 H -ATOM 334 HG2 ARG A 19 3.956 7.707 -0.824 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.559 6.776 -0.284 1.00 0.00 H -ATOM 336 HD2 ARG A 19 2.121 8.903 0.629 1.00 0.00 H -ATOM 337 HD3 ARG A 19 2.929 8.088 1.981 1.00 0.00 H -ATOM 338 HE ARG A 19 4.513 9.692 0.023 1.00 0.00 H -ATOM 339 HH11 ARG A 19 2.911 10.549 2.702 1.00 0.00 H -ATOM 340 HH12 ARG A 19 4.285 10.865 3.709 1.00 0.00 H -ATOM 341 HH21 ARG A 19 6.549 9.390 1.533 1.00 0.00 H -ATOM 342 HH22 ARG A 19 6.346 10.208 3.047 1.00 0.00 H -ATOM 343 N ASP A 20 4.978 3.217 1.696 1.00 0.00 N -ATOM 344 CA ASP A 20 5.957 2.276 2.319 1.00 0.00 C -ATOM 345 C ASP A 20 5.763 0.856 1.773 1.00 0.00 C -ATOM 346 O ASP A 20 6.717 0.127 1.575 1.00 0.00 O -ATOM 347 CB ASP A 20 5.649 2.323 3.815 1.00 0.00 C -ATOM 348 CG ASP A 20 6.537 3.373 4.485 1.00 0.00 C -ATOM 349 OD1 ASP A 20 6.650 4.459 3.941 1.00 0.00 O -ATOM 350 OD2 ASP A 20 7.088 3.074 5.531 1.00 0.00 O -ATOM 351 H ASP A 20 4.053 3.234 2.017 1.00 0.00 H -ATOM 352 HA ASP A 20 6.966 2.613 2.140 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.610 2.584 3.960 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.844 1.357 4.254 1.00 0.00 H -ATOM 355 N PHE A 21 4.535 0.456 1.532 1.00 0.00 N -ATOM 356 CA PHE A 21 4.284 -0.921 1.003 1.00 0.00 C -ATOM 357 C PHE A 21 4.981 -1.122 -0.352 1.00 0.00 C -ATOM 358 O PHE A 21 5.959 -1.836 -0.460 1.00 0.00 O -ATOM 359 CB PHE A 21 2.769 -1.041 0.834 1.00 0.00 C -ATOM 360 CG PHE A 21 2.479 -2.433 0.344 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.410 -3.472 1.265 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.302 -2.683 -1.023 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.157 -4.779 0.831 1.00 0.00 C -ATOM 364 CE2 PHE A 21 2.052 -3.987 -1.461 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.977 -5.037 -0.534 1.00 0.00 C -ATOM 366 H PHE A 21 3.783 1.061 1.702 1.00 0.00 H -ATOM 367 HA PHE A 21 4.617 -1.670 1.713 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.291 -0.882 1.782 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.403 -0.321 0.127 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.566 -3.261 2.312 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.367 -1.871 -1.739 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.101 -5.587 1.546 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.917 -4.186 -2.514 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.782 -6.044 -0.873 1.00 0.00 H -ATOM 375 N ILE A 22 4.459 -0.508 -1.388 1.00 0.00 N -ATOM 376 CA ILE A 22 5.050 -0.660 -2.757 1.00 0.00 C -ATOM 377 C ILE A 22 6.564 -0.415 -2.718 1.00 0.00 C -ATOM 378 O ILE A 22 7.323 -1.020 -3.453 1.00 0.00 O -ATOM 379 CB ILE A 22 4.342 0.397 -3.614 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.862 0.026 -3.742 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.959 0.424 -5.013 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.010 0.918 -2.848 1.00 0.00 C -ATOM 383 H ILE A 22 3.667 0.046 -1.264 1.00 0.00 H -ATOM 384 HA ILE A 22 4.829 -1.641 -3.153 1.00 0.00 H -ATOM 385 HB ILE A 22 4.440 1.369 -3.151 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.550 0.151 -4.765 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.724 -1.001 -3.446 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.491 1.200 -5.598 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.797 -0.533 -5.486 1.00 0.00 H -ATOM 390 HG23 ILE A 22 6.018 0.614 -4.936 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.811 0.407 -1.916 1.00 0.00 H -ATOM 392 HD12 ILE A 22 1.074 1.132 -3.344 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.534 1.840 -2.653 1.00 0.00 H -ATOM 394 N GLU A 23 6.994 0.464 -1.857 1.00 0.00 N -ATOM 395 CA GLU A 23 8.456 0.756 -1.748 1.00 0.00 C -ATOM 396 C GLU A 23 9.196 -0.470 -1.212 1.00 0.00 C -ATOM 397 O GLU A 23 10.363 -0.671 -1.491 1.00 0.00 O -ATOM 398 CB GLU A 23 8.565 1.927 -0.764 1.00 0.00 C -ATOM 399 CG GLU A 23 8.787 3.238 -1.533 1.00 0.00 C -ATOM 400 CD GLU A 23 9.996 3.981 -0.956 1.00 0.00 C -ATOM 401 OE1 GLU A 23 11.104 3.513 -1.158 1.00 0.00 O -ATOM 402 OE2 GLU A 23 9.792 5.002 -0.322 1.00 0.00 O -ATOM 403 H GLU A 23 6.350 0.927 -1.276 1.00 0.00 H -ATOM 404 HA GLU A 23 8.854 1.041 -2.709 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.650 1.996 -0.193 1.00 0.00 H -ATOM 406 HB3 GLU A 23 9.394 1.755 -0.095 1.00 0.00 H -ATOM 407 HG2 GLU A 23 8.965 3.024 -2.578 1.00 0.00 H -ATOM 408 HG3 GLU A 23 7.911 3.860 -1.440 1.00 0.00 H -ATOM 409 N LYS A 24 8.521 -1.294 -0.451 1.00 0.00 N -ATOM 410 CA LYS A 24 9.175 -2.514 0.100 1.00 0.00 C -ATOM 411 C LYS A 24 8.798 -3.733 -0.745 1.00 0.00 C -ATOM 412 O LYS A 24 9.619 -4.589 -1.012 1.00 0.00 O -ATOM 413 CB LYS A 24 8.633 -2.648 1.522 1.00 0.00 C -ATOM 414 CG LYS A 24 9.518 -1.846 2.478 1.00 0.00 C -ATOM 415 CD LYS A 24 9.125 -2.160 3.924 1.00 0.00 C -ATOM 416 CE LYS A 24 9.838 -1.192 4.880 1.00 0.00 C -ATOM 417 NZ LYS A 24 10.636 -2.062 5.789 1.00 0.00 N -ATOM 418 H LYS A 24 7.581 -1.111 -0.245 1.00 0.00 H -ATOM 419 HA LYS A 24 10.246 -2.388 0.123 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.623 -2.266 1.559 1.00 0.00 H -ATOM 421 HB3 LYS A 24 8.639 -3.686 1.813 1.00 0.00 H -ATOM 422 HG2 LYS A 24 10.554 -2.114 2.320 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.387 -0.790 2.292 1.00 0.00 H -ATOM 424 HD2 LYS A 24 8.055 -2.051 4.035 1.00 0.00 H -ATOM 425 HD3 LYS A 24 9.410 -3.173 4.161 1.00 0.00 H -ATOM 426 HE2 LYS A 24 10.488 -0.525 4.328 1.00 0.00 H -ATOM 427 HE3 LYS A 24 9.116 -0.628 5.450 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 9.996 -2.594 6.412 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 11.270 -1.470 6.365 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 11.202 -2.728 5.225 1.00 0.00 H -ATOM 431 N PHE A 25 7.559 -3.815 -1.166 1.00 0.00 N -ATOM 432 CA PHE A 25 7.122 -4.969 -1.991 1.00 0.00 C -ATOM 433 C PHE A 25 7.279 -4.655 -3.483 1.00 0.00 C -ATOM 434 O PHE A 25 6.382 -4.885 -4.271 1.00 0.00 O -ATOM 435 CB PHE A 25 5.649 -5.181 -1.636 1.00 0.00 C -ATOM 436 CG PHE A 25 5.125 -6.408 -2.344 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.831 -7.617 -2.281 1.00 0.00 C -ATOM 438 CD2 PHE A 25 3.929 -6.334 -3.063 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.339 -8.751 -2.937 1.00 0.00 C -ATOM 440 CE2 PHE A 25 3.436 -7.467 -3.720 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.141 -8.676 -3.657 1.00 0.00 C -ATOM 442 H PHE A 25 6.919 -3.121 -0.938 1.00 0.00 H -ATOM 443 HA PHE A 25 7.688 -5.836 -1.726 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.552 -5.313 -0.568 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.076 -4.319 -1.946 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.757 -7.672 -1.726 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.388 -5.402 -3.110 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.883 -9.682 -2.889 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.512 -7.409 -4.275 1.00 0.00 H -ATOM 450 HZ PHE A 25 3.760 -9.550 -4.164 1.00 0.00 H -ATOM 451 N LYS A 26 8.416 -4.136 -3.871 1.00 0.00 N -ATOM 452 CA LYS A 26 8.643 -3.805 -5.315 1.00 0.00 C -ATOM 453 C LYS A 26 8.517 -5.054 -6.192 1.00 0.00 C -ATOM 454 O LYS A 26 8.317 -4.964 -7.389 1.00 0.00 O -ATOM 455 CB LYS A 26 10.067 -3.256 -5.383 1.00 0.00 C -ATOM 456 CG LYS A 26 10.038 -1.737 -5.213 1.00 0.00 C -ATOM 457 CD LYS A 26 9.533 -1.087 -6.501 1.00 0.00 C -ATOM 458 CE LYS A 26 10.686 -0.960 -7.497 1.00 0.00 C -ATOM 459 NZ LYS A 26 10.080 -0.338 -8.707 1.00 0.00 N -ATOM 460 H LYS A 26 9.121 -3.962 -3.212 1.00 0.00 H -ATOM 461 HA LYS A 26 7.947 -3.057 -5.637 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.659 -3.699 -4.595 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.500 -3.502 -6.341 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.377 -1.481 -4.397 1.00 0.00 H -ATOM 465 HG3 LYS A 26 11.033 -1.380 -4.997 1.00 0.00 H -ATOM 466 HD2 LYS A 26 8.752 -1.698 -6.929 1.00 0.00 H -ATOM 467 HD3 LYS A 26 9.142 -0.106 -6.280 1.00 0.00 H -ATOM 468 HE2 LYS A 26 11.463 -0.325 -7.093 1.00 0.00 H -ATOM 469 HE3 LYS A 26 11.084 -1.934 -7.742 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 10.815 -0.200 -9.431 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 9.666 0.580 -8.453 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 9.336 -0.960 -9.081 1.00 0.00 H -ATOM 473 N GLY A 27 8.637 -6.215 -5.606 1.00 0.00 N -ATOM 474 CA GLY A 27 8.531 -7.486 -6.391 1.00 0.00 C -ATOM 475 C GLY A 27 7.224 -7.509 -7.195 1.00 0.00 C -ATOM 476 O GLY A 27 7.128 -8.168 -8.213 1.00 0.00 O -ATOM 477 H GLY A 27 8.803 -6.252 -4.645 1.00 0.00 H -ATOM 478 HA2 GLY A 27 9.370 -7.559 -7.068 1.00 0.00 H -ATOM 479 HA3 GLY A 27 8.545 -8.327 -5.713 1.00 0.00 H -ATOM 480 N ARG A 28 6.224 -6.792 -6.746 1.00 0.00 N -ATOM 481 CA ARG A 28 4.925 -6.766 -7.481 1.00 0.00 C -ATOM 482 C ARG A 28 4.144 -5.495 -7.132 1.00 0.00 C -ATOM 483 O ARG A 28 3.509 -5.482 -6.090 1.00 0.00 O -ATOM 484 CB ARG A 28 4.172 -8.008 -7.000 1.00 0.00 C -ATOM 485 CG ARG A 28 3.441 -8.653 -8.179 1.00 0.00 C -ATOM 486 CD ARG A 28 2.348 -7.706 -8.683 1.00 0.00 C -ATOM 487 NE ARG A 28 1.363 -8.589 -9.365 1.00 0.00 N -ATOM 488 CZ ARG A 28 0.084 -8.389 -9.201 1.00 0.00 C -ATOM 489 NH1 ARG A 28 -0.425 -8.367 -7.999 1.00 0.00 N -ATOM 490 NH2 ARG A 28 -0.689 -8.213 -10.238 1.00 0.00 N -ATOM 491 OXT ARG A 28 4.195 -4.559 -7.913 1.00 0.00 O -ATOM 492 H ARG A 28 6.328 -6.269 -5.924 1.00 0.00 H -ATOM 493 HA ARG A 28 5.094 -6.825 -8.545 1.00 0.00 H -ATOM 494 HB2 ARG A 28 4.874 -8.714 -6.582 1.00 0.00 H -ATOM 495 HB3 ARG A 28 3.454 -7.724 -6.246 1.00 0.00 H -ATOM 496 HG2 ARG A 28 4.144 -8.848 -8.976 1.00 0.00 H -ATOM 497 HG3 ARG A 28 2.990 -9.580 -7.860 1.00 0.00 H -ATOM 498 HD2 ARG A 28 1.886 -7.192 -7.852 1.00 0.00 H -ATOM 499 HD3 ARG A 28 2.759 -6.998 -9.385 1.00 0.00 H -ATOM 500 HE ARG A 28 1.674 -9.320 -9.939 1.00 0.00 H -ATOM 501 HH11 ARG A 28 0.167 -8.503 -7.204 1.00 0.00 H -ATOM 502 HH12 ARG A 28 -1.405 -8.214 -7.873 1.00 0.00 H -ATOM 503 HH21 ARG A 28 -0.300 -8.231 -11.159 1.00 0.00 H -ATOM 504 HH22 ARG A 28 -1.669 -8.060 -10.112 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 29 -ATOM 1 N GLU A 1 -17.397 7.650 0.747 1.00 0.00 N -ATOM 2 CA GLU A 1 -16.421 6.541 0.532 1.00 0.00 C -ATOM 3 C GLU A 1 -15.020 7.108 0.283 1.00 0.00 C -ATOM 4 O GLU A 1 -14.867 8.209 -0.211 1.00 0.00 O -ATOM 5 CB GLU A 1 -16.930 5.789 -0.704 1.00 0.00 C -ATOM 6 CG GLU A 1 -17.013 6.741 -1.903 1.00 0.00 C -ATOM 7 CD GLU A 1 -17.144 5.927 -3.192 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -18.072 5.140 -3.281 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -16.314 6.105 -4.069 1.00 0.00 O -ATOM 10 H1 GLU A 1 -17.270 8.372 0.010 1.00 0.00 H -ATOM 11 H2 GLU A 1 -17.235 8.077 1.683 1.00 0.00 H -ATOM 12 H3 GLU A 1 -18.365 7.275 0.700 1.00 0.00 H -ATOM 13 HA GLU A 1 -16.411 5.881 1.385 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -16.253 4.981 -0.934 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -17.911 5.387 -0.500 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -17.874 7.384 -1.794 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -16.117 7.342 -1.950 1.00 0.00 H -ATOM 18 N GLN A 2 -13.999 6.361 0.622 1.00 0.00 N -ATOM 19 CA GLN A 2 -12.605 6.849 0.408 1.00 0.00 C -ATOM 20 C GLN A 2 -11.720 5.720 -0.138 1.00 0.00 C -ATOM 21 O GLN A 2 -12.195 4.775 -0.735 1.00 0.00 O -ATOM 22 CB GLN A 2 -12.123 7.311 1.791 1.00 0.00 C -ATOM 23 CG GLN A 2 -11.230 8.555 1.641 1.00 0.00 C -ATOM 24 CD GLN A 2 -11.492 9.514 2.804 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -11.038 9.287 3.908 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -12.210 10.585 2.601 1.00 0.00 N -ATOM 27 H GLN A 2 -14.152 5.478 1.019 1.00 0.00 H -ATOM 28 HA GLN A 2 -12.598 7.682 -0.274 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -12.978 7.551 2.407 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -11.556 6.518 2.257 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -10.184 8.261 1.645 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -11.456 9.051 0.710 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -12.576 10.768 1.711 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -12.382 11.206 3.339 1.00 0.00 H -ATOM 35 N TYR A 3 -10.435 5.856 0.058 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.409 4.871 -0.421 1.00 0.00 C -ATOM 37 C TYR A 3 -9.896 3.427 -0.571 1.00 0.00 C -ATOM 38 O TYR A 3 -10.681 2.922 0.207 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.334 4.910 0.666 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.202 5.765 0.202 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.170 5.199 -0.544 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -7.193 7.122 0.512 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.115 5.997 -0.985 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -6.147 7.927 0.075 1.00 0.00 C -ATOM 45 CZ TYR A 3 -5.100 7.369 -0.677 1.00 0.00 C -ATOM 46 OH TYR A 3 -4.060 8.164 -1.111 1.00 0.00 O -ATOM 47 H TYR A 3 -10.119 6.653 0.524 1.00 0.00 H -ATOM 48 HA TYR A 3 -8.984 5.207 -1.352 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.750 5.323 1.573 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -7.970 3.910 0.860 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.191 4.140 -0.779 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -8.000 7.548 1.090 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.316 5.558 -1.563 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -6.151 8.979 0.318 1.00 0.00 H -ATOM 55 HH TYR A 3 -3.242 7.798 -0.767 1.00 0.00 H -ATOM 56 N THR A 4 -9.358 2.762 -1.556 1.00 0.00 N -ATOM 57 CA THR A 4 -9.679 1.331 -1.784 1.00 0.00 C -ATOM 58 C THR A 4 -8.530 0.661 -2.554 1.00 0.00 C -ATOM 59 O THR A 4 -8.715 -0.364 -3.182 1.00 0.00 O -ATOM 60 CB THR A 4 -10.972 1.295 -2.601 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.821 2.364 -2.204 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.678 -0.043 -2.352 1.00 0.00 C -ATOM 63 H THR A 4 -8.701 3.206 -2.130 1.00 0.00 H -ATOM 64 HA THR A 4 -9.833 0.834 -0.842 1.00 0.00 H -ATOM 65 HB THR A 4 -10.741 1.386 -3.650 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.058 2.229 -1.284 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.320 -0.479 -1.425 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.467 -0.718 -3.169 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.743 0.118 -2.285 1.00 0.00 H -ATOM 70 N ALA A 5 -7.338 1.229 -2.504 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.185 0.617 -3.224 1.00 0.00 C -ATOM 72 C ALA A 5 -5.859 -0.722 -2.607 1.00 0.00 C -ATOM 73 O ALA A 5 -5.524 -0.787 -1.450 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.004 1.551 -3.001 1.00 0.00 C -ATOM 75 H ALA A 5 -7.200 2.046 -1.991 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.398 0.526 -4.271 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.362 2.545 -2.782 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.397 1.569 -3.892 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.410 1.182 -2.165 1.00 0.00 H -ATOM 80 N LYS A 6 -5.928 -1.775 -3.361 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.604 -3.117 -2.790 1.00 0.00 C -ATOM 82 C LYS A 6 -4.288 -3.655 -3.346 1.00 0.00 C -ATOM 83 O LYS A 6 -3.997 -3.543 -4.522 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.765 -4.037 -3.173 1.00 0.00 C -ATOM 85 CG LYS A 6 -6.987 -4.014 -4.692 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.194 -5.442 -5.208 1.00 0.00 C -ATOM 87 CE LYS A 6 -8.523 -5.989 -4.681 1.00 0.00 C -ATOM 88 NZ LYS A 6 -9.494 -5.773 -5.790 1.00 0.00 N -ATOM 89 H LYS A 6 -6.179 -1.682 -4.300 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.545 -3.048 -1.716 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.530 -5.043 -2.856 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.663 -3.705 -2.675 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.862 -3.421 -4.916 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.127 -3.580 -5.178 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.210 -5.435 -6.288 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -6.386 -6.070 -4.863 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -8.431 -7.043 -4.458 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -8.835 -5.442 -3.805 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -10.391 -6.246 -5.563 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -9.105 -6.167 -6.671 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -9.663 -4.754 -5.910 1.00 0.00 H -ATOM 102 N TYR A 7 -3.504 -4.255 -2.495 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.204 -4.838 -2.933 1.00 0.00 C -ATOM 104 C TYR A 7 -2.093 -6.262 -2.394 1.00 0.00 C -ATOM 105 O TYR A 7 -2.096 -6.484 -1.199 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.120 -3.952 -2.329 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.134 -2.628 -3.010 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.128 -1.703 -2.703 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.144 -2.326 -3.935 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.137 -0.460 -3.329 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.139 -1.087 -4.567 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.138 -0.144 -4.266 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.139 1.087 -4.891 1.00 0.00 O -ATOM 114 H TYR A 7 -3.784 -4.340 -1.560 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.128 -4.823 -4.010 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.292 -3.809 -1.282 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.160 -4.410 -2.476 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.893 -1.954 -1.985 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.616 -3.058 -4.166 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.904 0.262 -3.077 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.637 -0.855 -5.278 1.00 0.00 H -ATOM 122 HH TYR A 7 -0.739 1.723 -4.294 1.00 0.00 H -ATOM 123 N LYS A 8 -2.014 -7.231 -3.269 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.923 -8.661 -2.822 1.00 0.00 C -ATOM 125 C LYS A 8 -3.109 -9.028 -1.914 1.00 0.00 C -ATOM 126 O LYS A 8 -3.050 -9.986 -1.168 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.602 -8.776 -2.051 1.00 0.00 C -ATOM 128 CG LYS A 8 -0.110 -10.224 -2.090 1.00 0.00 C -ATOM 129 CD LYS A 8 0.675 -10.463 -3.381 1.00 0.00 C -ATOM 130 CE LYS A 8 1.169 -11.911 -3.418 1.00 0.00 C -ATOM 131 NZ LYS A 8 2.006 -12.000 -4.647 1.00 0.00 N -ATOM 132 H LYS A 8 -2.025 -7.020 -4.226 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.899 -9.314 -3.681 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.137 -8.131 -2.507 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.756 -8.477 -1.026 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.528 -10.410 -1.239 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -0.957 -10.892 -2.058 1.00 0.00 H -ATOM 138 HD2 LYS A 8 0.035 -10.278 -4.231 1.00 0.00 H -ATOM 139 HD3 LYS A 8 1.523 -9.795 -3.415 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.761 -12.128 -2.539 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.335 -12.593 -3.489 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 1.400 -11.904 -5.487 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 2.490 -12.921 -4.672 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 2.714 -11.240 -4.641 1.00 0.00 H -ATOM 145 N GLY A 9 -4.191 -8.283 -1.984 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.382 -8.603 -1.139 1.00 0.00 C -ATOM 147 C GLY A 9 -5.403 -7.730 0.122 1.00 0.00 C -ATOM 148 O GLY A 9 -5.789 -8.181 1.184 1.00 0.00 O -ATOM 149 H GLY A 9 -4.224 -7.524 -2.602 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.282 -8.424 -1.711 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.346 -9.642 -0.849 1.00 0.00 H -ATOM 152 N ARG A 10 -4.996 -6.489 0.018 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.998 -5.589 1.218 1.00 0.00 C -ATOM 154 C ARG A 10 -5.272 -4.141 0.795 1.00 0.00 C -ATOM 155 O ARG A 10 -4.442 -3.514 0.160 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.589 -5.702 1.809 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.285 -7.158 2.172 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.959 -7.226 2.932 1.00 0.00 C -ATOM 159 NE ARG A 10 -2.316 -6.994 4.354 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.458 -6.431 5.160 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.289 -6.978 5.356 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.769 -5.321 5.772 1.00 0.00 N -ATOM 163 H ARG A 10 -4.690 -6.147 -0.848 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.730 -5.919 1.937 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.867 -5.355 1.084 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.525 -5.092 2.698 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -4.078 -7.549 2.792 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -3.208 -7.746 1.271 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.510 -8.200 2.812 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.289 -6.455 2.589 1.00 0.00 H -ATOM 171 HE ARG A 10 -3.193 -7.267 4.685 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -0.051 -7.829 4.888 1.00 0.00 H -ATOM 173 HH12 ARG A 10 0.368 -6.547 5.974 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -2.664 -4.901 5.622 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -1.112 -4.889 6.390 1.00 0.00 H -ATOM 176 N THR A 11 -6.421 -3.600 1.139 1.00 0.00 N -ATOM 177 CA THR A 11 -6.721 -2.188 0.743 1.00 0.00 C -ATOM 178 C THR A 11 -5.797 -1.220 1.502 1.00 0.00 C -ATOM 179 O THR A 11 -5.226 -1.568 2.518 1.00 0.00 O -ATOM 180 CB THR A 11 -8.193 -1.939 1.112 1.00 0.00 C -ATOM 181 OG1 THR A 11 -9.021 -2.797 0.341 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.559 -0.475 0.820 1.00 0.00 C -ATOM 183 H THR A 11 -7.076 -4.118 1.652 1.00 0.00 H -ATOM 184 HA THR A 11 -6.598 -2.084 -0.315 1.00 0.00 H -ATOM 185 HB THR A 11 -8.347 -2.139 2.157 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.797 -2.674 -0.584 1.00 0.00 H -ATOM 187 HG21 THR A 11 -8.224 0.152 1.635 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.630 -0.387 0.715 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.080 -0.155 -0.096 1.00 0.00 H -ATOM 190 N PHE A 12 -5.657 -0.005 1.021 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.783 0.988 1.722 1.00 0.00 C -ATOM 192 C PHE A 12 -5.555 2.277 1.996 1.00 0.00 C -ATOM 193 O PHE A 12 -5.854 3.033 1.097 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.600 1.245 0.781 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.621 0.126 0.964 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.889 -1.090 0.359 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.461 0.297 1.732 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.007 -2.158 0.516 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.568 -0.771 1.889 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.845 -2.003 1.284 1.00 0.00 C -ATOM 201 H PHE A 12 -6.135 0.256 0.205 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.421 0.570 2.648 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.938 1.261 -0.255 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.131 2.184 1.030 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.780 -1.195 -0.243 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.260 1.249 2.204 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.232 -3.106 0.063 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.336 -0.645 2.468 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.161 -2.830 1.402 1.00 0.00 H -ATOM 210 N ARG A 13 -5.876 2.529 3.239 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.630 3.773 3.586 1.00 0.00 C -ATOM 212 C ARG A 13 -5.676 4.814 4.176 1.00 0.00 C -ATOM 213 O ARG A 13 -6.021 5.545 5.084 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.682 3.344 4.616 1.00 0.00 C -ATOM 215 CG ARG A 13 -7.006 2.714 5.838 1.00 0.00 C -ATOM 216 CD ARG A 13 -7.935 2.832 7.049 1.00 0.00 C -ATOM 217 NE ARG A 13 -7.033 2.900 8.225 1.00 0.00 N -ATOM 218 CZ ARG A 13 -7.424 2.426 9.377 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -7.548 1.138 9.545 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -7.693 3.242 10.360 1.00 0.00 N -ATOM 221 H ARG A 13 -5.618 1.900 3.945 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.117 4.169 2.709 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -8.249 4.209 4.929 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.349 2.624 4.167 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -6.802 1.672 5.639 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -6.080 3.228 6.047 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -8.527 3.732 6.977 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -8.571 1.966 7.120 1.00 0.00 H -ATOM 229 HE ARG A 13 -6.149 3.305 8.136 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -7.343 0.513 8.792 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -7.846 0.775 10.428 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -7.600 4.228 10.230 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -7.993 2.879 11.242 1.00 0.00 H -ATOM 234 N ASN A 14 -4.478 4.880 3.657 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.483 5.867 4.168 1.00 0.00 C -ATOM 236 C ASN A 14 -2.347 6.028 3.155 1.00 0.00 C -ATOM 237 O ASN A 14 -1.670 5.076 2.816 1.00 0.00 O -ATOM 238 CB ASN A 14 -2.961 5.266 5.475 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.789 6.373 6.517 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.684 6.636 7.294 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.668 7.037 6.565 1.00 0.00 N -ATOM 242 H ASN A 14 -4.232 4.279 2.925 1.00 0.00 H -ATOM 243 HA ASN A 14 -3.957 6.818 4.360 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.666 4.532 5.840 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.008 4.791 5.297 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -0.945 6.825 5.937 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.547 7.749 7.227 1.00 0.00 H -ATOM 248 N GLU A 15 -2.141 7.224 2.669 1.00 0.00 N -ATOM 249 CA GLU A 15 -1.052 7.456 1.668 1.00 0.00 C -ATOM 250 C GLU A 15 0.309 7.070 2.259 1.00 0.00 C -ATOM 251 O GLU A 15 1.181 6.587 1.561 1.00 0.00 O -ATOM 252 CB GLU A 15 -1.103 8.955 1.362 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.711 9.193 -0.098 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.323 10.660 -0.289 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -1.145 11.513 0.003 1.00 0.00 O -ATOM 256 OE2 GLU A 15 0.791 10.906 -0.724 1.00 0.00 O -ATOM 257 H GLU A 15 -2.707 7.970 2.959 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.244 6.891 0.770 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -2.107 9.321 1.529 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.416 9.478 2.008 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.127 8.560 -0.353 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -1.548 8.958 -0.738 1.00 0.00 H -ATOM 263 N LYS A 16 0.495 7.282 3.539 1.00 0.00 N -ATOM 264 CA LYS A 16 1.797 6.933 4.180 1.00 0.00 C -ATOM 265 C LYS A 16 2.073 5.438 4.049 1.00 0.00 C -ATOM 266 O LYS A 16 3.183 5.016 3.782 1.00 0.00 O -ATOM 267 CB LYS A 16 1.643 7.320 5.653 1.00 0.00 C -ATOM 268 CG LYS A 16 3.021 7.367 6.317 1.00 0.00 C -ATOM 269 CD LYS A 16 3.009 8.398 7.448 1.00 0.00 C -ATOM 270 CE LYS A 16 4.384 8.438 8.119 1.00 0.00 C -ATOM 271 NZ LYS A 16 4.101 8.681 9.560 1.00 0.00 N -ATOM 272 H LYS A 16 -0.220 7.675 4.073 1.00 0.00 H -ATOM 273 HA LYS A 16 2.583 7.494 3.736 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.176 8.292 5.723 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.028 6.587 6.154 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.259 6.393 6.719 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.764 7.647 5.585 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.776 9.371 7.043 1.00 0.00 H -ATOM 279 HD3 LYS A 16 2.262 8.122 8.177 1.00 0.00 H -ATOM 280 HE2 LYS A 16 4.893 7.493 7.986 1.00 0.00 H -ATOM 281 HE3 LYS A 16 4.976 9.246 7.717 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 4.973 8.546 10.113 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 3.375 8.013 9.890 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 3.756 9.654 9.688 1.00 0.00 H -ATOM 285 N GLU A 17 1.065 4.643 4.239 1.00 0.00 N -ATOM 286 CA GLU A 17 1.233 3.159 4.136 1.00 0.00 C -ATOM 287 C GLU A 17 1.589 2.768 2.700 1.00 0.00 C -ATOM 288 O GLU A 17 2.587 2.118 2.453 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.126 2.572 4.523 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.222 2.464 6.046 1.00 0.00 C -ATOM 291 CD GLU A 17 0.770 1.413 6.547 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.679 0.282 6.098 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.601 1.756 7.371 1.00 0.00 O -ATOM 294 H GLU A 17 0.192 5.028 4.453 1.00 0.00 H -ATOM 295 HA GLU A 17 1.992 2.817 4.820 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -0.914 3.214 4.156 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.230 1.589 4.088 1.00 0.00 H -ATOM 298 HG2 GLU A 17 0.011 3.421 6.489 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.223 2.172 6.322 1.00 0.00 H -ATOM 300 N LEU A 18 0.773 3.158 1.753 1.00 0.00 N -ATOM 301 CA LEU A 18 1.041 2.817 0.318 1.00 0.00 C -ATOM 302 C LEU A 18 2.447 3.271 -0.088 1.00 0.00 C -ATOM 303 O LEU A 18 3.129 2.601 -0.840 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.031 3.577 -0.477 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.395 2.811 -1.757 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.949 1.419 -1.406 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.455 3.601 -2.530 1.00 0.00 C -ATOM 308 H LEU A 18 -0.024 3.677 1.989 1.00 0.00 H -ATOM 309 HA LEU A 18 0.939 1.757 0.163 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -0.914 3.691 0.134 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.347 4.553 -0.742 1.00 0.00 H -ATOM 312 HG LEU A 18 0.485 2.707 -2.368 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.829 1.240 -0.359 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.415 0.657 -1.958 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.998 1.367 -1.655 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.123 4.085 -1.833 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -2.018 2.927 -3.159 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -0.973 4.347 -3.144 1.00 0.00 H -ATOM 319 N ARG A 19 2.886 4.393 0.417 1.00 0.00 N -ATOM 320 CA ARG A 19 4.256 4.881 0.072 1.00 0.00 C -ATOM 321 C ARG A 19 5.314 3.953 0.679 1.00 0.00 C -ATOM 322 O ARG A 19 6.441 3.907 0.222 1.00 0.00 O -ATOM 323 CB ARG A 19 4.353 6.281 0.685 1.00 0.00 C -ATOM 324 CG ARG A 19 3.427 7.247 -0.067 1.00 0.00 C -ATOM 325 CD ARG A 19 4.261 8.212 -0.914 1.00 0.00 C -ATOM 326 NE ARG A 19 4.878 9.146 0.068 1.00 0.00 N -ATOM 327 CZ ARG A 19 4.673 10.431 -0.034 1.00 0.00 C -ATOM 328 NH1 ARG A 19 5.097 11.078 -1.085 1.00 0.00 N -ATOM 329 NH2 ARG A 19 4.046 11.070 0.916 1.00 0.00 N -ATOM 330 H ARG A 19 2.321 4.907 1.030 1.00 0.00 H -ATOM 331 HA ARG A 19 4.375 4.936 -0.998 1.00 0.00 H -ATOM 332 HB2 ARG A 19 4.059 6.236 1.724 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.373 6.630 0.616 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.763 6.688 -0.709 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.845 7.812 0.646 1.00 0.00 H -ATOM 336 HD2 ARG A 19 5.027 7.672 -1.454 1.00 0.00 H -ATOM 337 HD3 ARG A 19 3.629 8.757 -1.597 1.00 0.00 H -ATOM 338 HE ARG A 19 5.438 8.796 0.791 1.00 0.00 H -ATOM 339 HH11 ARG A 19 5.577 10.590 -1.813 1.00 0.00 H -ATOM 340 HH12 ARG A 19 4.939 12.063 -1.164 1.00 0.00 H -ATOM 341 HH21 ARG A 19 3.722 10.574 1.722 1.00 0.00 H -ATOM 342 HH22 ARG A 19 3.890 12.054 0.839 1.00 0.00 H -ATOM 343 N ASP A 20 4.960 3.216 1.705 1.00 0.00 N -ATOM 344 CA ASP A 20 5.943 2.293 2.344 1.00 0.00 C -ATOM 345 C ASP A 20 5.724 0.856 1.862 1.00 0.00 C -ATOM 346 O ASP A 20 6.637 0.051 1.871 1.00 0.00 O -ATOM 347 CB ASP A 20 5.670 2.402 3.846 1.00 0.00 C -ATOM 348 CG ASP A 20 6.705 3.325 4.493 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.862 3.244 4.112 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.324 4.095 5.358 1.00 0.00 O -ATOM 351 H ASP A 20 4.048 3.271 2.058 1.00 0.00 H -ATOM 352 HA ASP A 20 6.951 2.611 2.128 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.680 2.805 4.003 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.734 1.422 4.294 1.00 0.00 H -ATOM 355 N PHE A 21 4.524 0.524 1.445 1.00 0.00 N -ATOM 356 CA PHE A 21 4.259 -0.868 0.970 1.00 0.00 C -ATOM 357 C PHE A 21 4.920 -1.116 -0.395 1.00 0.00 C -ATOM 358 O PHE A 21 5.915 -1.806 -0.496 1.00 0.00 O -ATOM 359 CB PHE A 21 2.741 -0.997 0.855 1.00 0.00 C -ATOM 360 CG PHE A 21 2.446 -2.410 0.429 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.446 -3.415 1.388 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.217 -2.713 -0.917 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.202 -4.742 1.013 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.976 -4.039 -1.298 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.965 -5.053 -0.332 1.00 0.00 C -ATOM 366 H PHE A 21 3.803 1.187 1.450 1.00 0.00 H -ATOM 367 HA PHE A 21 4.617 -1.589 1.694 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.292 -0.803 1.810 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.347 -0.307 0.132 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.644 -3.164 2.419 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.226 -1.928 -1.664 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.193 -5.522 1.759 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.802 -4.279 -2.336 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.780 -6.076 -0.625 1.00 0.00 H -ATOM 375 N ILE A 22 4.351 -0.570 -1.447 1.00 0.00 N -ATOM 376 CA ILE A 22 4.912 -0.775 -2.824 1.00 0.00 C -ATOM 377 C ILE A 22 6.420 -0.495 -2.831 1.00 0.00 C -ATOM 378 O ILE A 22 7.177 -1.107 -3.561 1.00 0.00 O -ATOM 379 CB ILE A 22 4.163 0.224 -3.714 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.682 -0.164 -3.770 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.734 0.173 -5.133 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.858 0.776 -2.903 1.00 0.00 C -ATOM 383 H ILE A 22 3.547 -0.033 -1.328 1.00 0.00 H -ATOM 384 HA ILE A 22 4.704 -1.779 -3.167 1.00 0.00 H -ATOM 385 HB ILE A 22 4.269 1.222 -3.312 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.333 -0.103 -4.788 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.563 -1.172 -3.411 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.144 0.803 -5.779 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.696 -0.846 -5.490 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.756 0.516 -5.124 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.658 0.303 -1.951 1.00 0.00 H -ATOM 392 HD12 ILE A 22 0.923 0.993 -3.397 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.402 1.694 -2.744 1.00 0.00 H -ATOM 394 N GLU A 23 6.849 0.420 -2.003 1.00 0.00 N -ATOM 395 CA GLU A 23 8.304 0.745 -1.931 1.00 0.00 C -ATOM 396 C GLU A 23 9.050 -0.408 -1.259 1.00 0.00 C -ATOM 397 O GLU A 23 10.185 -0.700 -1.586 1.00 0.00 O -ATOM 398 CB GLU A 23 8.397 2.017 -1.087 1.00 0.00 C -ATOM 399 CG GLU A 23 9.811 2.595 -1.186 1.00 0.00 C -ATOM 400 CD GLU A 23 10.717 1.911 -0.160 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.364 1.916 1.008 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.748 1.395 -0.558 1.00 0.00 O -ATOM 403 H GLU A 23 6.206 0.885 -1.422 1.00 0.00 H -ATOM 404 HA GLU A 23 8.700 0.924 -2.919 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.684 2.743 -1.450 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.178 1.782 -0.055 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.200 2.425 -2.180 1.00 0.00 H -ATOM 408 HG3 GLU A 23 9.782 3.655 -0.986 1.00 0.00 H -ATOM 409 N LYS A 24 8.409 -1.071 -0.330 1.00 0.00 N -ATOM 410 CA LYS A 24 9.062 -2.220 0.361 1.00 0.00 C -ATOM 411 C LYS A 24 8.822 -3.501 -0.441 1.00 0.00 C -ATOM 412 O LYS A 24 9.743 -4.239 -0.738 1.00 0.00 O -ATOM 413 CB LYS A 24 8.383 -2.307 1.728 1.00 0.00 C -ATOM 414 CG LYS A 24 9.133 -3.312 2.605 1.00 0.00 C -ATOM 415 CD LYS A 24 10.417 -2.670 3.139 1.00 0.00 C -ATOM 416 CE LYS A 24 10.158 -2.091 4.532 1.00 0.00 C -ATOM 417 NZ LYS A 24 11.475 -2.152 5.226 1.00 0.00 N -ATOM 418 H LYS A 24 7.491 -0.820 -0.096 1.00 0.00 H -ATOM 419 HA LYS A 24 10.118 -2.040 0.481 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.397 -1.336 2.200 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.361 -2.634 1.604 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.504 -3.607 3.434 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.387 -4.183 2.019 1.00 0.00 H -ATOM 424 HD2 LYS A 24 11.195 -3.417 3.199 1.00 0.00 H -ATOM 425 HD3 LYS A 24 10.727 -1.879 2.474 1.00 0.00 H -ATOM 426 HE2 LYS A 24 9.817 -1.066 4.454 1.00 0.00 H -ATOM 427 HE3 LYS A 24 9.433 -2.690 5.061 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 11.341 -1.954 6.239 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 12.116 -1.444 4.816 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 11.886 -3.099 5.108 1.00 0.00 H -ATOM 431 N PHE A 25 7.588 -3.765 -0.796 1.00 0.00 N -ATOM 432 CA PHE A 25 7.273 -4.986 -1.578 1.00 0.00 C -ATOM 433 C PHE A 25 7.454 -4.721 -3.078 1.00 0.00 C -ATOM 434 O PHE A 25 6.557 -4.948 -3.869 1.00 0.00 O -ATOM 435 CB PHE A 25 5.811 -5.300 -1.257 1.00 0.00 C -ATOM 436 CG PHE A 25 5.419 -6.603 -1.909 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.166 -7.761 -1.669 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.305 -6.649 -2.752 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.799 -8.969 -2.275 1.00 0.00 C -ATOM 440 CE2 PHE A 25 3.935 -7.857 -3.358 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.682 -9.017 -3.119 1.00 0.00 C -ATOM 442 H PHE A 25 6.871 -3.159 -0.545 1.00 0.00 H -ATOM 443 HA PHE A 25 7.898 -5.793 -1.259 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.687 -5.381 -0.187 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.181 -4.508 -1.634 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.028 -7.721 -1.019 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.729 -5.753 -2.934 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.376 -9.863 -2.090 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.074 -7.892 -4.008 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.398 -9.947 -3.586 1.00 0.00 H -ATOM 451 N LYS A 26 8.607 -4.244 -3.471 1.00 0.00 N -ATOM 452 CA LYS A 26 8.854 -3.959 -4.921 1.00 0.00 C -ATOM 453 C LYS A 26 8.678 -5.226 -5.764 1.00 0.00 C -ATOM 454 O LYS A 26 8.467 -5.158 -6.961 1.00 0.00 O -ATOM 455 CB LYS A 26 10.301 -3.465 -4.997 1.00 0.00 C -ATOM 456 CG LYS A 26 10.381 -2.028 -4.477 1.00 0.00 C -ATOM 457 CD LYS A 26 11.528 -1.297 -5.178 1.00 0.00 C -ATOM 458 CE LYS A 26 12.083 -0.209 -4.257 1.00 0.00 C -ATOM 459 NZ LYS A 26 12.650 0.818 -5.175 1.00 0.00 N -ATOM 460 H LYS A 26 9.310 -4.070 -2.812 1.00 0.00 H -ATOM 461 HA LYS A 26 8.188 -3.194 -5.265 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.931 -4.102 -4.394 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.637 -3.492 -6.023 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.449 -1.518 -4.681 1.00 0.00 H -ATOM 465 HG3 LYS A 26 10.561 -2.039 -3.412 1.00 0.00 H -ATOM 466 HD2 LYS A 26 12.311 -2.003 -5.415 1.00 0.00 H -ATOM 467 HD3 LYS A 26 11.163 -0.845 -6.088 1.00 0.00 H -ATOM 468 HE2 LYS A 26 11.289 0.216 -3.658 1.00 0.00 H -ATOM 469 HE3 LYS A 26 12.860 -0.610 -3.626 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 13.341 0.369 -5.811 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 13.120 1.560 -4.619 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 11.885 1.241 -5.737 1.00 0.00 H -ATOM 473 N GLY A 27 8.766 -6.374 -5.151 1.00 0.00 N -ATOM 474 CA GLY A 27 8.607 -7.651 -5.908 1.00 0.00 C -ATOM 475 C GLY A 27 9.971 -8.323 -6.071 1.00 0.00 C -ATOM 476 O GLY A 27 10.116 -9.512 -5.858 1.00 0.00 O -ATOM 477 H GLY A 27 8.938 -6.395 -4.190 1.00 0.00 H -ATOM 478 HA2 GLY A 27 7.943 -8.310 -5.366 1.00 0.00 H -ATOM 479 HA3 GLY A 27 8.192 -7.444 -6.882 1.00 0.00 H -ATOM 480 N ARG A 28 10.973 -7.568 -6.449 1.00 0.00 N -ATOM 481 CA ARG A 28 12.334 -8.155 -6.630 1.00 0.00 C -ATOM 482 C ARG A 28 13.404 -7.165 -6.165 1.00 0.00 C -ATOM 483 O ARG A 28 13.088 -6.327 -5.336 1.00 0.00 O -ATOM 484 CB ARG A 28 12.457 -8.410 -8.133 1.00 0.00 C -ATOM 485 CG ARG A 28 13.268 -9.685 -8.370 1.00 0.00 C -ATOM 486 CD ARG A 28 12.374 -10.908 -8.148 1.00 0.00 C -ATOM 487 NE ARG A 28 13.134 -12.051 -8.728 1.00 0.00 N -ATOM 488 CZ ARG A 28 12.979 -13.251 -8.241 1.00 0.00 C -ATOM 489 NH1 ARG A 28 11.779 -13.722 -8.034 1.00 0.00 N -ATOM 490 NH2 ARG A 28 14.023 -13.982 -7.960 1.00 0.00 N -ATOM 491 OXT ARG A 28 14.523 -7.262 -6.643 1.00 0.00 O -ATOM 492 H ARG A 28 10.828 -6.613 -6.614 1.00 0.00 H -ATOM 493 HA ARG A 28 12.419 -9.085 -6.092 1.00 0.00 H -ATOM 494 HB2 ARG A 28 11.471 -8.525 -8.560 1.00 0.00 H -ATOM 495 HB3 ARG A 28 12.957 -7.576 -8.601 1.00 0.00 H -ATOM 496 HG2 ARG A 28 13.642 -9.690 -9.384 1.00 0.00 H -ATOM 497 HG3 ARG A 28 14.097 -9.718 -7.680 1.00 0.00 H -ATOM 498 HD2 ARG A 28 12.206 -11.062 -7.091 1.00 0.00 H -ATOM 499 HD3 ARG A 28 11.435 -10.786 -8.666 1.00 0.00 H -ATOM 500 HE ARG A 28 13.749 -11.900 -9.475 1.00 0.00 H -ATOM 501 HH11 ARG A 28 10.978 -13.162 -8.249 1.00 0.00 H -ATOM 502 HH12 ARG A 28 11.660 -14.641 -7.661 1.00 0.00 H -ATOM 503 HH21 ARG A 28 14.942 -13.620 -8.118 1.00 0.00 H -ATOM 504 HH22 ARG A 28 13.904 -14.902 -7.587 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 30 -ATOM 1 N GLU A 1 -15.800 3.224 1.290 1.00 0.00 N -ATOM 2 CA GLU A 1 -15.752 4.712 1.388 1.00 0.00 C -ATOM 3 C GLU A 1 -14.330 5.212 1.120 1.00 0.00 C -ATOM 4 O GLU A 1 -13.383 4.781 1.749 1.00 0.00 O -ATOM 5 CB GLU A 1 -16.171 5.024 2.824 1.00 0.00 C -ATOM 6 CG GLU A 1 -16.225 6.539 3.026 1.00 0.00 C -ATOM 7 CD GLU A 1 -16.084 6.859 4.516 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -14.977 6.765 5.019 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -17.087 7.191 5.127 1.00 0.00 O -ATOM 10 H1 GLU A 1 -15.038 2.815 1.867 1.00 0.00 H -ATOM 11 H2 GLU A 1 -15.676 2.938 0.296 1.00 0.00 H -ATOM 12 H3 GLU A 1 -16.716 2.882 1.638 1.00 0.00 H -ATOM 13 HA GLU A 1 -16.447 5.158 0.694 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -17.147 4.600 3.014 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -15.454 4.596 3.509 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -15.418 7.005 2.479 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -17.171 6.916 2.667 1.00 0.00 H -ATOM 18 N GLN A 2 -14.173 6.122 0.185 1.00 0.00 N -ATOM 19 CA GLN A 2 -12.812 6.664 -0.140 1.00 0.00 C -ATOM 20 C GLN A 2 -11.832 5.523 -0.453 1.00 0.00 C -ATOM 21 O GLN A 2 -12.233 4.437 -0.819 1.00 0.00 O -ATOM 22 CB GLN A 2 -12.370 7.444 1.113 1.00 0.00 C -ATOM 23 CG GLN A 2 -11.545 8.680 0.701 1.00 0.00 C -ATOM 24 CD GLN A 2 -12.303 9.958 1.073 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -12.398 10.874 0.280 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -12.850 10.057 2.253 1.00 0.00 N -ATOM 27 H GLN A 2 -14.956 6.450 -0.306 1.00 0.00 H -ATOM 28 HA GLN A 2 -12.869 7.336 -0.980 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -13.244 7.756 1.667 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -11.763 6.802 1.736 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -10.589 8.665 1.212 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -11.375 8.663 -0.366 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -12.773 9.319 2.892 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -13.338 10.870 2.500 1.00 0.00 H -ATOM 35 N TYR A 3 -10.558 5.805 -0.317 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.438 4.832 -0.586 1.00 0.00 C -ATOM 37 C TYR A 3 -9.840 3.358 -0.690 1.00 0.00 C -ATOM 38 O TYR A 3 -10.583 2.831 0.115 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.504 5.011 0.612 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.348 5.864 0.199 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.245 5.278 -0.420 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -7.392 7.239 0.420 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.172 6.073 -0.824 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -6.326 8.040 0.022 1.00 0.00 C -ATOM 45 CZ TYR A 3 -5.209 7.460 -0.603 1.00 0.00 C -ATOM 46 OH TYR A 3 -4.151 8.253 -0.999 1.00 0.00 O -ATOM 47 H TYR A 3 -10.314 6.707 -0.035 1.00 0.00 H -ATOM 48 HA TYR A 3 -8.918 5.122 -1.483 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -9.037 5.490 1.421 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.140 4.048 0.942 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.226 4.206 -0.589 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -8.251 7.682 0.901 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.319 5.619 -1.303 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -6.369 9.104 0.193 1.00 0.00 H -ATOM 55 HH TYR A 3 -4.026 8.129 -1.944 1.00 0.00 H -ATOM 56 N THR A 4 -9.289 2.695 -1.669 1.00 0.00 N -ATOM 57 CA THR A 4 -9.548 1.245 -1.851 1.00 0.00 C -ATOM 58 C THR A 4 -8.362 0.594 -2.578 1.00 0.00 C -ATOM 59 O THR A 4 -8.498 -0.460 -3.170 1.00 0.00 O -ATOM 60 CB THR A 4 -10.823 1.141 -2.690 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.734 2.160 -2.300 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.461 -0.233 -2.464 1.00 0.00 C -ATOM 63 H THR A 4 -8.670 3.155 -2.272 1.00 0.00 H -ATOM 64 HA THR A 4 -9.704 0.774 -0.895 1.00 0.00 H -ATOM 65 HB THR A 4 -10.579 1.252 -3.735 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.897 2.719 -3.063 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.107 -0.650 -1.528 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.192 -0.894 -3.274 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.535 -0.129 -2.425 1.00 0.00 H -ATOM 70 N ALA A 5 -7.194 1.210 -2.536 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.010 0.617 -3.224 1.00 0.00 C -ATOM 72 C ALA A 5 -5.679 -0.731 -2.616 1.00 0.00 C -ATOM 73 O ALA A 5 -5.287 -0.807 -1.473 1.00 0.00 O -ATOM 74 CB ALA A 5 -4.852 1.568 -2.968 1.00 0.00 C -ATOM 75 H ALA A 5 -7.096 2.055 -2.054 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.193 0.531 -4.277 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.231 2.555 -2.758 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.223 1.595 -3.843 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.275 1.206 -2.119 1.00 0.00 H -ATOM 80 N LYS A 6 -5.813 -1.777 -3.368 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.502 -3.134 -2.823 1.00 0.00 C -ATOM 82 C LYS A 6 -4.182 -3.668 -3.375 1.00 0.00 C -ATOM 83 O LYS A 6 -3.854 -3.500 -4.533 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.669 -4.037 -3.230 1.00 0.00 C -ATOM 85 CG LYS A 6 -6.886 -3.985 -4.746 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.450 -5.323 -5.228 1.00 0.00 C -ATOM 87 CE LYS A 6 -6.921 -5.625 -6.631 1.00 0.00 C -ATOM 88 NZ LYS A 6 -7.675 -4.708 -7.530 1.00 0.00 N -ATOM 89 H LYS A 6 -6.109 -1.667 -4.291 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.449 -3.087 -1.749 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.449 -5.052 -2.933 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.566 -3.704 -2.728 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.584 -3.194 -4.981 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -5.945 -3.794 -5.238 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.143 -6.107 -4.550 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.528 -5.271 -5.256 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -5.860 -5.421 -6.684 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -7.121 -6.651 -6.897 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -8.695 -4.830 -7.374 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -7.449 -4.928 -8.521 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -7.407 -3.724 -7.322 1.00 0.00 H -ATOM 102 N TYR A 7 -3.428 -4.318 -2.530 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.118 -4.890 -2.953 1.00 0.00 C -ATOM 104 C TYR A 7 -2.021 -6.333 -2.463 1.00 0.00 C -ATOM 105 O TYR A 7 -2.011 -6.594 -1.275 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.063 -4.020 -2.280 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.050 -2.684 -2.940 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.039 -1.751 -2.636 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.044 -2.381 -3.848 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.028 -0.501 -3.248 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.018 -1.134 -4.467 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.013 -0.185 -4.168 1.00 0.00 C -ATOM 113 OH TYR A 7 -0.994 1.051 -4.780 1.00 0.00 O -ATOM 114 H TYR A 7 -3.732 -4.435 -1.606 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.009 -4.837 -4.025 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.293 -3.899 -1.241 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.095 -4.474 -2.385 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.816 -2.001 -1.930 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.712 -3.118 -4.077 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.792 0.226 -2.995 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.773 -0.902 -5.163 1.00 0.00 H -ATOM 122 HH TYR A 7 -0.577 1.672 -4.181 1.00 0.00 H -ATOM 123 N LYS A 8 -1.968 -7.273 -3.369 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.892 -8.720 -2.974 1.00 0.00 C -ATOM 125 C LYS A 8 -3.045 -9.083 -2.021 1.00 0.00 C -ATOM 126 O LYS A 8 -2.963 -10.043 -1.278 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.539 -8.890 -2.272 1.00 0.00 C -ATOM 128 CG LYS A 8 0.527 -9.278 -3.299 1.00 0.00 C -ATOM 129 CD LYS A 8 0.279 -10.709 -3.782 1.00 0.00 C -ATOM 130 CE LYS A 8 1.112 -11.683 -2.946 1.00 0.00 C -ATOM 131 NZ LYS A 8 0.715 -13.035 -3.426 1.00 0.00 N -ATOM 132 H LYS A 8 -1.990 -7.029 -4.318 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.928 -9.344 -3.852 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.260 -7.962 -1.795 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.617 -9.668 -1.526 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.479 -8.601 -4.139 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.504 -9.219 -2.843 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.769 -10.949 -3.674 1.00 0.00 H -ATOM 139 HD3 LYS A 8 0.563 -10.794 -4.819 1.00 0.00 H -ATOM 140 HE2 LYS A 8 2.167 -11.514 -3.117 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.876 -11.578 -1.899 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 -0.281 -13.210 -3.185 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 1.311 -13.755 -2.969 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 0.837 -13.086 -4.458 1.00 0.00 H -ATOM 145 N GLY A 9 -4.120 -8.327 -2.044 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.279 -8.631 -1.152 1.00 0.00 C -ATOM 147 C GLY A 9 -5.238 -7.746 0.100 1.00 0.00 C -ATOM 148 O GLY A 9 -5.570 -8.185 1.185 1.00 0.00 O -ATOM 149 H GLY A 9 -4.167 -7.564 -2.657 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.200 -8.448 -1.688 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.240 -9.668 -0.854 1.00 0.00 H -ATOM 152 N ARG A 10 -4.835 -6.506 -0.039 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.775 -5.593 1.149 1.00 0.00 C -ATOM 154 C ARG A 10 -5.075 -4.150 0.730 1.00 0.00 C -ATOM 155 O ARG A 10 -4.262 -3.509 0.089 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.336 -5.696 1.665 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.011 -7.149 2.024 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.653 -7.209 2.724 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.956 -7.040 4.170 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.204 -6.271 4.909 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.150 -6.764 5.499 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.507 -5.010 5.059 1.00 0.00 N -ATOM 163 H ARG A 10 -4.572 -6.174 -0.923 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.465 -5.917 1.912 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.654 -5.353 0.898 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.225 -5.079 2.543 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.775 -7.538 2.682 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.974 -7.743 1.124 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.184 -8.166 2.547 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.019 -6.408 2.382 1.00 0.00 H -ATOM 171 HE ARG A 10 -2.718 -7.508 4.565 1.00 0.00 H -ATOM 172 HH11 ARG A 10 0.082 -7.729 5.384 1.00 0.00 H -ATOM 173 HH12 ARG A 10 0.426 -6.175 6.066 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -2.314 -4.634 4.606 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -0.930 -4.422 5.627 1.00 0.00 H -ATOM 176 N THR A 11 -6.228 -3.628 1.088 1.00 0.00 N -ATOM 177 CA THR A 11 -6.556 -2.222 0.701 1.00 0.00 C -ATOM 178 C THR A 11 -5.668 -1.240 1.484 1.00 0.00 C -ATOM 179 O THR A 11 -5.065 -1.598 2.477 1.00 0.00 O -ATOM 180 CB THR A 11 -8.033 -2.010 1.056 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.832 -2.904 0.295 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.433 -0.562 0.733 1.00 0.00 C -ATOM 183 H THR A 11 -6.868 -4.159 1.607 1.00 0.00 H -ATOM 184 HA THR A 11 -6.423 -2.101 -0.356 1.00 0.00 H -ATOM 185 HB THR A 11 -8.187 -2.194 2.105 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.672 -2.728 -0.635 1.00 0.00 H -ATOM 187 HG21 THR A 11 -8.097 0.092 1.526 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.506 -0.494 0.641 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.972 -0.256 -0.197 1.00 0.00 H -ATOM 190 N PHE A 12 -5.600 -0.001 1.051 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.768 1.005 1.780 1.00 0.00 C -ATOM 192 C PHE A 12 -5.590 2.257 2.087 1.00 0.00 C -ATOM 193 O PHE A 12 -6.037 2.949 1.197 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.597 1.334 0.847 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.531 0.307 1.069 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.657 -0.922 0.440 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.430 0.574 1.897 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.687 -1.906 0.635 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.453 -0.413 2.089 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.586 -1.655 1.460 1.00 0.00 C -ATOM 201 H PHE A 12 -6.103 0.265 0.254 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.392 0.579 2.696 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.918 1.293 -0.195 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.210 2.315 1.074 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.508 -1.104 -0.207 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.338 1.533 2.388 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.794 -2.863 0.162 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.407 -0.215 2.714 1.00 0.00 H -ATOM 209 HZ PHE A 12 0.164 -2.417 1.604 1.00 0.00 H -ATOM 210 N ARG A 13 -5.792 2.544 3.348 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.585 3.749 3.728 1.00 0.00 C -ATOM 212 C ARG A 13 -5.650 4.883 4.162 1.00 0.00 C -ATOM 213 O ARG A 13 -6.027 5.747 4.932 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.452 3.291 4.901 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.838 3.929 4.792 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.560 3.801 6.134 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.554 4.911 6.144 1.00 0.00 N -ATOM 218 CZ ARG A 13 -10.343 5.967 6.880 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -9.180 6.560 6.852 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -11.295 6.432 7.642 1.00 0.00 N -ATOM 221 H ARG A 13 -5.421 1.965 4.046 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.208 4.066 2.907 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.548 2.215 4.877 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -6.991 3.592 5.830 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -8.735 4.974 4.535 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -9.409 3.424 4.028 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -10.059 2.843 6.200 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -8.862 3.921 6.948 1.00 0.00 H -ATOM 229 HE ARG A 13 -11.365 4.846 5.598 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -8.452 6.204 6.267 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -9.019 7.370 7.416 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -12.185 5.979 7.663 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -11.132 7.244 8.206 1.00 0.00 H -ATOM 234 N ASN A 14 -4.434 4.884 3.673 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.470 5.959 4.052 1.00 0.00 C -ATOM 236 C ASN A 14 -2.320 6.012 3.044 1.00 0.00 C -ATOM 237 O ASN A 14 -1.664 5.019 2.788 1.00 0.00 O -ATOM 238 CB ASN A 14 -2.954 5.557 5.436 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.873 6.794 6.334 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.741 7.023 7.152 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.859 7.606 6.212 1.00 0.00 N -ATOM 242 H ASN A 14 -4.155 4.177 3.055 1.00 0.00 H -ATOM 243 HA ASN A 14 -3.971 6.912 4.105 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.628 4.836 5.876 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -1.971 5.119 5.342 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -1.160 7.420 5.551 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.797 8.401 6.781 1.00 0.00 H -ATOM 248 N GLU A 15 -2.073 7.162 2.472 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.964 7.284 1.477 1.00 0.00 C -ATOM 250 C GLU A 15 0.376 6.955 2.139 1.00 0.00 C -ATOM 251 O GLU A 15 1.246 6.359 1.533 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.994 8.742 1.013 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.436 8.834 -0.409 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.380 10.300 -0.843 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -1.432 10.856 -1.117 1.00 0.00 O -ATOM 256 OE2 GLU A 15 0.712 10.840 -0.895 1.00 0.00 O -ATOM 257 H GLU A 15 -2.619 7.945 2.698 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.139 6.628 0.639 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -2.014 9.102 1.024 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.390 9.344 1.674 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.559 8.413 -0.432 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -1.075 8.284 -1.084 1.00 0.00 H -ATOM 263 N LYS A 16 0.547 7.334 3.383 1.00 0.00 N -ATOM 264 CA LYS A 16 1.830 7.044 4.095 1.00 0.00 C -ATOM 265 C LYS A 16 2.103 5.542 4.098 1.00 0.00 C -ATOM 266 O LYS A 16 3.215 5.095 3.888 1.00 0.00 O -ATOM 267 CB LYS A 16 1.630 7.555 5.523 1.00 0.00 C -ATOM 268 CG LYS A 16 2.995 7.763 6.187 1.00 0.00 C -ATOM 269 CD LYS A 16 3.421 9.232 6.052 1.00 0.00 C -ATOM 270 CE LYS A 16 4.886 9.310 5.610 1.00 0.00 C -ATOM 271 NZ LYS A 16 4.833 9.635 4.157 1.00 0.00 N -ATOM 272 H LYS A 16 -0.167 7.811 3.847 1.00 0.00 H -ATOM 273 HA LYS A 16 2.631 7.566 3.628 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.094 8.492 5.499 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.064 6.830 6.089 1.00 0.00 H -ATOM 276 HG2 LYS A 16 2.926 7.503 7.235 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.727 7.129 5.709 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.798 9.724 5.318 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.310 9.726 7.005 1.00 0.00 H -ATOM 280 HE2 LYS A 16 5.400 10.092 6.153 1.00 0.00 H -ATOM 281 HE3 LYS A 16 5.378 8.360 5.758 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 5.784 9.553 3.747 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 4.484 10.608 4.032 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 4.192 8.973 3.676 1.00 0.00 H -ATOM 285 N GLU A 17 1.083 4.774 4.326 1.00 0.00 N -ATOM 286 CA GLU A 17 1.235 3.287 4.339 1.00 0.00 C -ATOM 287 C GLU A 17 1.580 2.797 2.933 1.00 0.00 C -ATOM 288 O GLU A 17 2.529 2.063 2.730 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.133 2.745 4.762 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.447 3.191 6.190 1.00 0.00 C -ATOM 291 CD GLU A 17 0.546 2.550 7.160 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.553 1.333 7.252 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.285 3.286 7.794 1.00 0.00 O -ATOM 294 H GLU A 17 0.209 5.181 4.480 1.00 0.00 H -ATOM 295 HA GLU A 17 1.992 2.986 5.046 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -0.890 3.127 4.092 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.124 1.668 4.716 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.374 4.267 6.255 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.449 2.882 6.448 1.00 0.00 H -ATOM 300 N LEU A 18 0.802 3.202 1.967 1.00 0.00 N -ATOM 301 CA LEU A 18 1.049 2.776 0.558 1.00 0.00 C -ATOM 302 C LEU A 18 2.431 3.234 0.094 1.00 0.00 C -ATOM 303 O LEU A 18 3.160 2.484 -0.530 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.059 3.457 -0.257 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.291 2.706 -1.571 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.782 1.280 -1.280 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.347 3.453 -2.400 1.00 0.00 C -ATOM 308 H LEU A 18 0.047 3.788 2.174 1.00 0.00 H -ATOM 309 HA LEU A 18 0.970 1.708 0.475 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -0.974 3.462 0.318 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.231 4.474 -0.475 1.00 0.00 H -ATOM 312 HG LEU A 18 0.633 2.665 -2.124 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.564 1.019 -0.270 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.285 0.582 -1.931 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.848 1.219 -1.443 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.305 2.967 -2.286 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.059 3.441 -3.440 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.420 4.475 -2.059 1.00 0.00 H -ATOM 319 N ARG A 19 2.805 4.451 0.401 1.00 0.00 N -ATOM 320 CA ARG A 19 4.154 4.945 -0.018 1.00 0.00 C -ATOM 321 C ARG A 19 5.253 4.063 0.593 1.00 0.00 C -ATOM 322 O ARG A 19 6.369 4.031 0.112 1.00 0.00 O -ATOM 323 CB ARG A 19 4.252 6.372 0.519 1.00 0.00 C -ATOM 324 CG ARG A 19 3.391 7.304 -0.338 1.00 0.00 C -ATOM 325 CD ARG A 19 3.495 8.733 0.200 1.00 0.00 C -ATOM 326 NE ARG A 19 3.212 9.608 -0.972 1.00 0.00 N -ATOM 327 CZ ARG A 19 4.159 9.878 -1.829 1.00 0.00 C -ATOM 328 NH1 ARG A 19 5.056 10.784 -1.548 1.00 0.00 N -ATOM 329 NH2 ARG A 19 4.210 9.243 -2.968 1.00 0.00 N -ATOM 330 H ARG A 19 2.204 5.034 0.912 1.00 0.00 H -ATOM 331 HA ARG A 19 4.234 4.947 -1.092 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.904 6.398 1.541 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.279 6.700 0.479 1.00 0.00 H -ATOM 334 HG2 ARG A 19 3.740 7.275 -1.361 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.363 6.981 -0.300 1.00 0.00 H -ATOM 336 HD2 ARG A 19 2.763 8.894 0.979 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.491 8.924 0.572 1.00 0.00 H -ATOM 338 HE ARG A 19 2.315 9.981 -1.099 1.00 0.00 H -ATOM 339 HH11 ARG A 19 5.018 11.272 -0.675 1.00 0.00 H -ATOM 340 HH12 ARG A 19 5.781 10.991 -2.205 1.00 0.00 H -ATOM 341 HH21 ARG A 19 3.523 8.549 -3.184 1.00 0.00 H -ATOM 342 HH22 ARG A 19 4.935 9.450 -3.625 1.00 0.00 H -ATOM 343 N ASP A 20 4.940 3.348 1.649 1.00 0.00 N -ATOM 344 CA ASP A 20 5.958 2.469 2.292 1.00 0.00 C -ATOM 345 C ASP A 20 5.758 1.014 1.853 1.00 0.00 C -ATOM 346 O ASP A 20 6.706 0.257 1.748 1.00 0.00 O -ATOM 347 CB ASP A 20 5.713 2.613 3.795 1.00 0.00 C -ATOM 348 CG ASP A 20 6.292 3.942 4.281 1.00 0.00 C -ATOM 349 OD1 ASP A 20 6.044 4.947 3.635 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.974 3.933 5.294 1.00 0.00 O -ATOM 351 H ASP A 20 4.035 3.390 2.019 1.00 0.00 H -ATOM 352 HA ASP A 20 6.954 2.803 2.048 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.651 2.589 3.990 1.00 0.00 H -ATOM 354 HB3 ASP A 20 6.193 1.800 4.317 1.00 0.00 H -ATOM 355 N PHE A 21 4.533 0.615 1.603 1.00 0.00 N -ATOM 356 CA PHE A 21 4.277 -0.795 1.175 1.00 0.00 C -ATOM 357 C PHE A 21 4.967 -1.093 -0.164 1.00 0.00 C -ATOM 358 O PHE A 21 5.968 -1.781 -0.214 1.00 0.00 O -ATOM 359 CB PHE A 21 2.759 -0.928 1.032 1.00 0.00 C -ATOM 360 CG PHE A 21 2.468 -2.344 0.613 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.466 -3.346 1.575 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.237 -2.653 -0.733 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.221 -4.674 1.207 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.994 -3.980 -1.108 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.982 -4.991 -0.137 1.00 0.00 C -ATOM 366 H PHE A 21 3.785 1.242 1.698 1.00 0.00 H -ATOM 367 HA PHE A 21 4.619 -1.488 1.934 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.294 -0.726 1.979 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.381 -0.240 0.298 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.665 -3.091 2.605 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.250 -1.870 -1.481 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.212 -5.451 1.955 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.820 -4.224 -2.145 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.795 -6.014 -0.425 1.00 0.00 H -ATOM 375 N ILE A 22 4.419 -0.592 -1.249 1.00 0.00 N -ATOM 376 CA ILE A 22 5.011 -0.846 -2.607 1.00 0.00 C -ATOM 377 C ILE A 22 6.522 -0.583 -2.581 1.00 0.00 C -ATOM 378 O ILE A 22 7.292 -1.222 -3.273 1.00 0.00 O -ATOM 379 CB ILE A 22 4.301 0.136 -3.546 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.817 -0.234 -3.634 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.909 0.036 -4.947 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.982 0.726 -2.799 1.00 0.00 C -ATOM 383 H ILE A 22 3.610 -0.057 -1.168 1.00 0.00 H -ATOM 384 HA ILE A 22 4.797 -1.858 -2.925 1.00 0.00 H -ATOM 385 HB ILE A 22 4.409 1.143 -3.172 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.493 -0.183 -4.661 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.677 -1.236 -3.264 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.390 0.708 -5.612 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.803 -0.978 -5.302 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.954 0.298 -4.906 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.657 0.223 -1.899 1.00 0.00 H -ATOM 392 HD12 ILE A 22 1.119 1.036 -3.366 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.571 1.592 -2.536 1.00 0.00 H -ATOM 394 N GLU A 23 6.936 0.349 -1.765 1.00 0.00 N -ATOM 395 CA GLU A 23 8.392 0.660 -1.656 1.00 0.00 C -ATOM 396 C GLU A 23 9.126 -0.561 -1.103 1.00 0.00 C -ATOM 397 O GLU A 23 10.225 -0.879 -1.517 1.00 0.00 O -ATOM 398 CB GLU A 23 8.485 1.840 -0.682 1.00 0.00 C -ATOM 399 CG GLU A 23 9.942 2.306 -0.565 1.00 0.00 C -ATOM 400 CD GLU A 23 10.547 1.794 0.745 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.471 0.600 0.984 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.074 2.606 1.488 1.00 0.00 O -ATOM 403 H GLU A 23 6.281 0.834 -1.212 1.00 0.00 H -ATOM 404 HA GLU A 23 8.792 0.937 -2.618 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.875 2.654 -1.048 1.00 0.00 H -ATOM 406 HB3 GLU A 23 8.126 1.533 0.289 1.00 0.00 H -ATOM 407 HG2 GLU A 23 10.513 1.923 -1.399 1.00 0.00 H -ATOM 408 HG3 GLU A 23 9.975 3.385 -0.575 1.00 0.00 H -ATOM 409 N LYS A 24 8.509 -1.256 -0.180 1.00 0.00 N -ATOM 410 CA LYS A 24 9.146 -2.475 0.397 1.00 0.00 C -ATOM 411 C LYS A 24 8.829 -3.679 -0.492 1.00 0.00 C -ATOM 412 O LYS A 24 9.717 -4.370 -0.953 1.00 0.00 O -ATOM 413 CB LYS A 24 8.515 -2.641 1.781 1.00 0.00 C -ATOM 414 CG LYS A 24 9.115 -3.865 2.478 1.00 0.00 C -ATOM 415 CD LYS A 24 10.536 -3.545 2.947 1.00 0.00 C -ATOM 416 CE LYS A 24 11.287 -4.848 3.229 1.00 0.00 C -ATOM 417 NZ LYS A 24 12.395 -4.462 4.147 1.00 0.00 N -ATOM 418 H LYS A 24 7.619 -0.982 0.123 1.00 0.00 H -ATOM 419 HA LYS A 24 10.213 -2.338 0.487 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.711 -1.758 2.374 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.449 -2.774 1.677 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.505 -4.128 3.330 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.145 -4.694 1.787 1.00 0.00 H -ATOM 424 HD2 LYS A 24 11.052 -2.989 2.178 1.00 0.00 H -ATOM 425 HD3 LYS A 24 10.492 -2.954 3.850 1.00 0.00 H -ATOM 426 HE2 LYS A 24 10.631 -5.563 3.705 1.00 0.00 H -ATOM 427 HE3 LYS A 24 11.690 -5.256 2.314 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 11.998 -4.015 4.998 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 13.027 -3.792 3.665 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 12.933 -5.310 4.417 1.00 0.00 H -ATOM 431 N PHE A 25 7.565 -3.927 -0.741 1.00 0.00 N -ATOM 432 CA PHE A 25 7.181 -5.072 -1.601 1.00 0.00 C -ATOM 433 C PHE A 25 6.894 -4.592 -3.027 1.00 0.00 C -ATOM 434 O PHE A 25 5.776 -4.666 -3.505 1.00 0.00 O -ATOM 435 CB PHE A 25 5.921 -5.653 -0.963 1.00 0.00 C -ATOM 436 CG PHE A 25 5.578 -6.951 -1.645 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.452 -8.040 -1.552 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.390 -7.067 -2.374 1.00 0.00 C -ATOM 439 CE1 PHE A 25 6.137 -9.247 -2.186 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.073 -8.273 -3.010 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.947 -9.364 -2.915 1.00 0.00 C -ATOM 442 H PHE A 25 6.873 -3.360 -0.364 1.00 0.00 H -ATOM 443 HA PHE A 25 7.961 -5.802 -1.599 1.00 0.00 H -ATOM 444 HB2 PHE A 25 6.097 -5.830 0.088 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.103 -4.957 -1.081 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.369 -7.947 -0.991 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.718 -6.223 -2.446 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.810 -10.088 -2.113 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.156 -8.363 -3.572 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.703 -10.295 -3.405 1.00 0.00 H -ATOM 451 N LYS A 26 7.897 -4.099 -3.707 1.00 0.00 N -ATOM 452 CA LYS A 26 7.693 -3.607 -5.108 1.00 0.00 C -ATOM 453 C LYS A 26 7.131 -4.718 -6.001 1.00 0.00 C -ATOM 454 O LYS A 26 6.532 -4.456 -7.027 1.00 0.00 O -ATOM 455 CB LYS A 26 9.081 -3.181 -5.593 1.00 0.00 C -ATOM 456 CG LYS A 26 9.242 -1.668 -5.426 1.00 0.00 C -ATOM 457 CD LYS A 26 10.100 -1.115 -6.566 1.00 0.00 C -ATOM 458 CE LYS A 26 9.662 0.315 -6.891 1.00 0.00 C -ATOM 459 NZ LYS A 26 9.843 0.447 -8.363 1.00 0.00 N -ATOM 460 H LYS A 26 8.785 -4.051 -3.294 1.00 0.00 H -ATOM 461 HA LYS A 26 7.030 -2.766 -5.110 1.00 0.00 H -ATOM 462 HB2 LYS A 26 9.836 -3.692 -5.011 1.00 0.00 H -ATOM 463 HB3 LYS A 26 9.193 -3.441 -6.635 1.00 0.00 H -ATOM 464 HG2 LYS A 26 8.270 -1.198 -5.446 1.00 0.00 H -ATOM 465 HG3 LYS A 26 9.724 -1.459 -4.483 1.00 0.00 H -ATOM 466 HD2 LYS A 26 11.139 -1.115 -6.267 1.00 0.00 H -ATOM 467 HD3 LYS A 26 9.978 -1.735 -7.442 1.00 0.00 H -ATOM 468 HE2 LYS A 26 8.623 0.458 -6.622 1.00 0.00 H -ATOM 469 HE3 LYS A 26 10.286 1.027 -6.375 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 10.806 0.157 -8.622 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 9.691 1.439 -8.642 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 9.155 -0.159 -8.854 1.00 0.00 H -ATOM 473 N GLY A 27 7.320 -5.948 -5.615 1.00 0.00 N -ATOM 474 CA GLY A 27 6.800 -7.087 -6.428 1.00 0.00 C -ATOM 475 C GLY A 27 7.772 -7.386 -7.571 1.00 0.00 C -ATOM 476 O GLY A 27 7.549 -6.999 -8.703 1.00 0.00 O -ATOM 477 H GLY A 27 7.804 -6.123 -4.785 1.00 0.00 H -ATOM 478 HA2 GLY A 27 6.701 -7.961 -5.800 1.00 0.00 H -ATOM 479 HA3 GLY A 27 5.837 -6.827 -6.837 1.00 0.00 H -ATOM 480 N ARG A 28 8.847 -8.073 -7.281 1.00 0.00 N -ATOM 481 CA ARG A 28 9.841 -8.405 -8.345 1.00 0.00 C -ATOM 482 C ARG A 28 9.589 -9.816 -8.883 1.00 0.00 C -ATOM 483 O ARG A 28 9.164 -9.928 -10.021 1.00 0.00 O -ATOM 484 CB ARG A 28 11.201 -8.329 -7.650 1.00 0.00 C -ATOM 485 CG ARG A 28 11.706 -6.884 -7.673 1.00 0.00 C -ATOM 486 CD ARG A 28 12.589 -6.661 -8.908 1.00 0.00 C -ATOM 487 NE ARG A 28 13.957 -6.414 -8.369 1.00 0.00 N -ATOM 488 CZ ARG A 28 14.788 -7.408 -8.214 1.00 0.00 C -ATOM 489 NH1 ARG A 28 15.129 -8.141 -9.239 1.00 0.00 N -ATOM 490 NH2 ARG A 28 15.278 -7.671 -7.033 1.00 0.00 N -ATOM 491 OXT ARG A 28 9.824 -10.760 -8.146 1.00 0.00 O -ATOM 492 H ARG A 28 9.000 -8.373 -6.360 1.00 0.00 H -ATOM 493 HA ARG A 28 9.793 -7.682 -9.144 1.00 0.00 H -ATOM 494 HB2 ARG A 28 11.101 -8.661 -6.627 1.00 0.00 H -ATOM 495 HB3 ARG A 28 11.905 -8.962 -8.169 1.00 0.00 H -ATOM 496 HG2 ARG A 28 10.861 -6.211 -7.708 1.00 0.00 H -ATOM 497 HG3 ARG A 28 12.281 -6.691 -6.780 1.00 0.00 H -ATOM 498 HD2 ARG A 28 12.585 -7.540 -9.540 1.00 0.00 H -ATOM 499 HD3 ARG A 28 12.250 -5.799 -9.460 1.00 0.00 H -ATOM 500 HE ARG A 28 14.231 -5.504 -8.129 1.00 0.00 H -ATOM 501 HH11 ARG A 28 14.753 -7.940 -10.143 1.00 0.00 H -ATOM 502 HH12 ARG A 28 15.767 -8.901 -9.119 1.00 0.00 H -ATOM 503 HH21 ARG A 28 15.018 -7.109 -6.248 1.00 0.00 H -ATOM 504 HH22 ARG A 28 15.915 -8.433 -6.915 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 31 -ATOM 1 N GLU A 1 -12.372 4.429 5.217 1.00 0.00 N -ATOM 2 CA GLU A 1 -11.872 5.826 5.057 1.00 0.00 C -ATOM 3 C GLU A 1 -10.844 5.892 3.923 1.00 0.00 C -ATOM 4 O GLU A 1 -10.185 4.918 3.615 1.00 0.00 O -ATOM 5 CB GLU A 1 -11.218 6.168 6.397 1.00 0.00 C -ATOM 6 CG GLU A 1 -11.553 7.612 6.778 1.00 0.00 C -ATOM 7 CD GLU A 1 -11.269 7.828 8.265 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -11.792 7.070 9.065 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -10.530 8.748 8.579 1.00 0.00 O -ATOM 10 H1 GLU A 1 -13.181 4.423 5.868 1.00 0.00 H -ATOM 11 H2 GLU A 1 -11.611 3.832 5.602 1.00 0.00 H -ATOM 12 H3 GLU A 1 -12.670 4.059 4.293 1.00 0.00 H -ATOM 13 HA GLU A 1 -12.691 6.498 4.863 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -11.588 5.498 7.159 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -10.146 6.060 6.314 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -10.949 8.288 6.192 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -12.598 7.801 6.583 1.00 0.00 H -ATOM 18 N GLN A 2 -10.706 7.038 3.300 1.00 0.00 N -ATOM 19 CA GLN A 2 -9.724 7.192 2.175 1.00 0.00 C -ATOM 20 C GLN A 2 -9.987 6.143 1.087 1.00 0.00 C -ATOM 21 O GLN A 2 -10.820 5.272 1.241 1.00 0.00 O -ATOM 22 CB GLN A 2 -8.337 6.987 2.805 1.00 0.00 C -ATOM 23 CG GLN A 2 -7.403 8.138 2.404 1.00 0.00 C -ATOM 24 CD GLN A 2 -7.210 9.086 3.591 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -6.096 9.340 4.005 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -8.254 9.623 4.160 1.00 0.00 N -ATOM 27 H GLN A 2 -11.252 7.805 3.573 1.00 0.00 H -ATOM 28 HA GLN A 2 -9.794 8.185 1.757 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -8.433 6.956 3.881 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -7.919 6.053 2.459 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -6.445 7.736 2.107 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -7.835 8.684 1.578 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -9.153 9.419 3.827 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -8.139 10.231 4.920 1.00 0.00 H -ATOM 35 N TYR A 3 -9.283 6.227 -0.016 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.486 5.243 -1.129 1.00 0.00 C -ATOM 37 C TYR A 3 -9.390 3.799 -0.627 1.00 0.00 C -ATOM 38 O TYR A 3 -9.099 3.551 0.528 1.00 0.00 O -ATOM 39 CB TYR A 3 -8.391 5.540 -2.163 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.035 5.662 -1.508 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.456 4.573 -0.846 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.359 6.881 -1.569 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.205 4.709 -0.248 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.108 7.018 -0.971 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.527 5.932 -0.310 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.287 6.066 0.276 1.00 0.00 O -ATOM 47 H TYR A 3 -8.625 6.944 -0.120 1.00 0.00 H -ATOM 48 HA TYR A 3 -10.440 5.406 -1.577 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.365 4.747 -2.894 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -8.627 6.471 -2.654 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.969 3.629 -0.794 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -6.807 7.722 -2.080 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.766 3.872 0.261 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -4.592 7.961 -1.018 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.737 5.339 -0.025 1.00 0.00 H -ATOM 56 N THR A 4 -9.639 2.845 -1.492 1.00 0.00 N -ATOM 57 CA THR A 4 -9.570 1.411 -1.076 1.00 0.00 C -ATOM 58 C THR A 4 -8.583 0.637 -1.957 1.00 0.00 C -ATOM 59 O THR A 4 -8.811 -0.508 -2.296 1.00 0.00 O -ATOM 60 CB THR A 4 -10.990 0.859 -1.252 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.631 1.505 -2.346 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.791 1.097 0.028 1.00 0.00 C -ATOM 63 H THR A 4 -9.874 3.074 -2.415 1.00 0.00 H -ATOM 64 HA THR A 4 -9.278 1.338 -0.040 1.00 0.00 H -ATOM 65 HB THR A 4 -10.939 -0.202 -1.443 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.568 0.927 -3.110 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.269 0.655 0.866 1.00 0.00 H -ATOM 68 HG22 THR A 4 -12.766 0.645 -0.068 1.00 0.00 H -ATOM 69 HG23 THR A 4 -11.900 2.159 0.192 1.00 0.00 H -ATOM 70 N ALA A 5 -7.482 1.250 -2.321 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.464 0.554 -3.172 1.00 0.00 C -ATOM 72 C ALA A 5 -6.085 -0.790 -2.560 1.00 0.00 C -ATOM 73 O ALA A 5 -5.698 -0.853 -1.415 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.241 1.460 -3.163 1.00 0.00 C -ATOM 75 H ALA A 5 -7.323 2.167 -2.033 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.829 0.434 -4.176 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.553 2.492 -3.131 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.659 1.282 -4.055 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.641 1.231 -2.287 1.00 0.00 H -ATOM 80 N LYS A 6 -6.185 -1.852 -3.312 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.824 -3.197 -2.761 1.00 0.00 C -ATOM 82 C LYS A 6 -4.569 -3.746 -3.438 1.00 0.00 C -ATOM 83 O LYS A 6 -4.350 -3.565 -4.620 1.00 0.00 O -ATOM 84 CB LYS A 6 -7.026 -4.102 -3.039 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.363 -4.086 -4.531 1.00 0.00 C -ATOM 86 CD LYS A 6 -8.273 -5.269 -4.864 1.00 0.00 C -ATOM 87 CE LYS A 6 -8.663 -5.214 -6.343 1.00 0.00 C -ATOM 88 NZ LYS A 6 -9.752 -4.200 -6.414 1.00 0.00 N -ATOM 89 H LYS A 6 -6.490 -1.765 -4.237 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.664 -3.127 -1.699 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.788 -5.111 -2.734 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.877 -3.749 -2.476 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.869 -3.162 -4.771 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.453 -4.158 -5.105 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -7.749 -6.194 -4.664 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -9.164 -5.222 -4.257 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -7.818 -4.904 -6.942 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -9.030 -6.173 -6.672 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -10.489 -4.432 -5.719 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -10.164 -4.201 -7.371 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -9.364 -3.258 -6.204 1.00 0.00 H -ATOM 102 N TYR A 7 -3.739 -4.414 -2.679 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.481 -4.987 -3.242 1.00 0.00 C -ATOM 104 C TYR A 7 -2.332 -6.442 -2.815 1.00 0.00 C -ATOM 105 O TYR A 7 -2.154 -6.741 -1.650 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.363 -4.157 -2.638 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.417 -2.777 -3.220 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.374 -1.871 -2.769 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.504 -2.409 -4.201 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.422 -0.583 -3.304 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.540 -1.123 -4.741 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.502 -0.204 -4.294 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.541 1.069 -4.824 1.00 0.00 O -ATOM 114 H TYR A 7 -3.947 -4.538 -1.729 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.466 -4.890 -4.316 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.485 -4.108 -1.570 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.409 -4.607 -2.872 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -3.080 -2.169 -2.011 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.226 -3.126 -4.547 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -3.162 0.121 -2.944 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.181 -0.838 -5.491 1.00 0.00 H -ATOM 122 HH TYR A 7 -2.093 1.046 -5.608 1.00 0.00 H -ATOM 123 N LYS A 8 -2.406 -7.351 -3.750 1.00 0.00 N -ATOM 124 CA LYS A 8 -2.272 -8.810 -3.414 1.00 0.00 C -ATOM 125 C LYS A 8 -3.210 -9.199 -2.256 1.00 0.00 C -ATOM 126 O LYS A 8 -2.970 -10.163 -1.553 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.804 -8.990 -2.999 1.00 0.00 C -ATOM 128 CG LYS A 8 -0.214 -10.215 -3.700 1.00 0.00 C -ATOM 129 CD LYS A 8 0.239 -9.826 -5.108 1.00 0.00 C -ATOM 130 CE LYS A 8 1.430 -10.694 -5.520 1.00 0.00 C -ATOM 131 NZ LYS A 8 2.166 -9.884 -6.529 1.00 0.00 N -ATOM 132 H LYS A 8 -2.548 -7.075 -4.679 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.484 -9.412 -4.284 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.242 -8.111 -3.280 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.746 -9.128 -1.929 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.632 -10.581 -3.136 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -0.964 -10.989 -3.767 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.575 -9.976 -5.803 1.00 0.00 H -ATOM 139 HD3 LYS A 8 0.534 -8.787 -5.117 1.00 0.00 H -ATOM 140 HE2 LYS A 8 2.059 -10.898 -4.664 1.00 0.00 H -ATOM 141 HE3 LYS A 8 1.088 -11.616 -5.965 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 1.501 -9.530 -7.245 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 2.888 -10.476 -6.989 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 2.626 -9.078 -6.059 1.00 0.00 H -ATOM 145 N GLY A 9 -4.276 -8.458 -2.058 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.228 -8.784 -0.953 1.00 0.00 C -ATOM 147 C GLY A 9 -4.988 -7.856 0.245 1.00 0.00 C -ATOM 148 O GLY A 9 -5.109 -8.266 1.385 1.00 0.00 O -ATOM 149 H GLY A 9 -4.452 -7.691 -2.640 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.241 -8.658 -1.307 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.081 -9.808 -0.645 1.00 0.00 H -ATOM 152 N ARG A 10 -4.653 -6.613 -0.002 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.409 -5.658 1.124 1.00 0.00 C -ATOM 154 C ARG A 10 -4.887 -4.253 0.741 1.00 0.00 C -ATOM 155 O ARG A 10 -4.246 -3.570 -0.037 1.00 0.00 O -ATOM 156 CB ARG A 10 -2.895 -5.660 1.327 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.431 -7.064 1.715 1.00 0.00 C -ATOM 158 CD ARG A 10 -0.949 -7.021 2.094 1.00 0.00 C -ATOM 159 NE ARG A 10 -0.592 -8.430 2.414 1.00 0.00 N -ATOM 160 CZ ARG A 10 0.185 -9.103 1.612 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.320 -9.717 0.577 1.00 0.00 N -ATOM 162 NH2 ARG A 10 1.468 -9.161 1.843 1.00 0.00 N -ATOM 163 H ARG A 10 -4.563 -6.306 -0.928 1.00 0.00 H -ATOM 164 HA ARG A 10 -4.903 -5.995 2.022 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.410 -5.361 0.409 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -2.635 -4.968 2.113 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.009 -7.414 2.557 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.568 -7.732 0.879 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.360 -6.661 1.261 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -0.800 -6.395 2.959 1.00 0.00 H -ATOM 171 HE ARG A 10 -0.941 -8.851 3.228 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -1.303 -9.671 0.399 1.00 0.00 H -ATOM 173 HH12 ARG A 10 0.275 -10.234 -0.038 1.00 0.00 H -ATOM 174 HH21 ARG A 10 1.855 -8.689 2.636 1.00 0.00 H -ATOM 175 HH22 ARG A 10 2.064 -9.677 1.228 1.00 0.00 H -ATOM 176 N THR A 11 -6.003 -3.818 1.277 1.00 0.00 N -ATOM 177 CA THR A 11 -6.511 -2.456 0.933 1.00 0.00 C -ATOM 178 C THR A 11 -5.662 -1.373 1.610 1.00 0.00 C -ATOM 179 O THR A 11 -4.941 -1.640 2.552 1.00 0.00 O -ATOM 180 CB THR A 11 -7.945 -2.397 1.457 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.695 -3.476 0.912 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.569 -1.066 1.032 1.00 0.00 C -ATOM 183 H THR A 11 -6.502 -4.385 1.902 1.00 0.00 H -ATOM 184 HA THR A 11 -6.515 -2.326 -0.133 1.00 0.00 H -ATOM 185 HB THR A 11 -7.943 -2.462 2.533 1.00 0.00 H -ATOM 186 HG1 THR A 11 -8.622 -3.434 -0.044 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.619 -1.060 1.283 1.00 0.00 H -ATOM 188 HG22 THR A 11 -8.451 -0.940 -0.035 1.00 0.00 H -ATOM 189 HG23 THR A 11 -8.069 -0.255 1.544 1.00 0.00 H -ATOM 190 N PHE A 12 -5.755 -0.148 1.143 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.965 0.958 1.766 1.00 0.00 C -ATOM 192 C PHE A 12 -5.853 2.169 2.045 1.00 0.00 C -ATOM 193 O PHE A 12 -6.542 2.663 1.172 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.877 1.309 0.748 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.774 0.308 0.885 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.851 -0.869 0.153 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.688 0.548 1.741 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.841 -1.828 0.268 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.673 -0.411 1.857 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.751 -1.602 1.120 1.00 0.00 C -ATOM 201 H PHE A 12 -6.348 0.041 0.388 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.507 0.616 2.681 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -4.279 1.262 -0.262 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.496 2.299 0.947 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.697 -1.034 -0.505 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.637 1.468 2.314 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.902 -2.744 -0.295 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.170 -0.234 2.509 1.00 0.00 H -ATOM 209 HZ PHE A 12 0.029 -2.342 1.208 1.00 0.00 H -ATOM 210 N ARG A 13 -5.834 2.652 3.261 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.663 3.838 3.618 1.00 0.00 C -ATOM 212 C ARG A 13 -5.754 4.992 4.048 1.00 0.00 C -ATOM 213 O ARG A 13 -6.130 5.824 4.853 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.537 3.374 4.785 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.553 2.343 4.282 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.176 1.603 5.473 1.00 0.00 C -ATOM 217 NE ARG A 13 -8.668 0.205 5.372 1.00 0.00 N -ATOM 218 CZ ARG A 13 -9.438 -0.737 4.901 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -9.951 -0.624 3.706 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -9.696 -1.792 5.624 1.00 0.00 N -ATOM 221 H ARG A 13 -5.264 2.234 3.940 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.281 4.132 2.785 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -6.914 2.927 5.545 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -8.063 4.221 5.200 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.330 2.848 3.726 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -8.054 1.634 3.638 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -8.860 2.052 6.405 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -10.252 1.610 5.397 1.00 0.00 H -ATOM 229 HE ARG A 13 -7.755 -0.006 5.658 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -9.755 0.184 3.152 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -10.543 -1.346 3.345 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -9.302 -1.879 6.539 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -10.287 -2.514 5.263 1.00 0.00 H -ATOM 234 N ASN A 14 -4.561 5.045 3.512 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.613 6.141 3.877 1.00 0.00 C -ATOM 236 C ASN A 14 -2.460 6.190 2.871 1.00 0.00 C -ATOM 237 O ASN A 14 -2.097 5.192 2.278 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.106 5.785 5.277 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.105 6.840 5.748 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -0.931 6.564 5.895 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.531 8.045 5.990 1.00 0.00 N -ATOM 242 H ASN A 14 -4.288 4.360 2.863 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.129 7.088 3.902 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.940 5.760 5.962 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.625 4.819 5.255 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -3.479 8.257 5.867 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.906 8.737 6.292 1.00 0.00 H -ATOM 248 N GLU A 15 -1.892 7.351 2.671 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.767 7.488 1.698 1.00 0.00 C -ATOM 250 C GLU A 15 0.541 6.971 2.303 1.00 0.00 C -ATOM 251 O GLU A 15 1.274 6.230 1.676 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.672 8.989 1.419 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.082 9.216 0.026 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.290 10.673 -0.386 1.00 0.00 C -ATOM 255 OE1 GLU A 15 0.553 11.489 -0.055 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -1.292 10.950 -1.026 1.00 0.00 O -ATOM 257 H GLU A 15 -2.214 8.137 3.162 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.993 6.960 0.784 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.659 9.425 1.469 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.036 9.452 2.158 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.976 8.992 0.043 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.575 8.568 -0.683 1.00 0.00 H -ATOM 263 N LYS A 16 0.843 7.363 3.516 1.00 0.00 N -ATOM 264 CA LYS A 16 2.110 6.908 4.174 1.00 0.00 C -ATOM 265 C LYS A 16 2.221 5.385 4.148 1.00 0.00 C -ATOM 266 O LYS A 16 3.277 4.825 3.919 1.00 0.00 O -ATOM 267 CB LYS A 16 2.014 7.406 5.616 1.00 0.00 C -ATOM 268 CG LYS A 16 3.420 7.637 6.173 1.00 0.00 C -ATOM 269 CD LYS A 16 3.844 9.083 5.908 1.00 0.00 C -ATOM 270 CE LYS A 16 5.341 9.235 6.184 1.00 0.00 C -ATOM 271 NZ LYS A 16 5.491 10.602 6.759 1.00 0.00 N -ATOM 272 H LYS A 16 0.240 7.966 3.994 1.00 0.00 H -ATOM 273 HA LYS A 16 2.949 7.350 3.690 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.459 8.333 5.641 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.507 6.665 6.217 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.420 7.451 7.238 1.00 0.00 H -ATOM 277 HG3 LYS A 16 4.114 6.967 5.690 1.00 0.00 H -ATOM 278 HD2 LYS A 16 3.640 9.335 4.877 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.291 9.746 6.557 1.00 0.00 H -ATOM 280 HE2 LYS A 16 5.669 8.488 6.894 1.00 0.00 H -ATOM 281 HE3 LYS A 16 5.904 9.157 5.267 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 6.475 10.746 7.058 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 4.860 10.702 7.581 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 5.242 11.310 6.041 1.00 0.00 H -ATOM 285 N GLU A 17 1.131 4.724 4.387 1.00 0.00 N -ATOM 286 CA GLU A 17 1.127 3.228 4.390 1.00 0.00 C -ATOM 287 C GLU A 17 1.477 2.681 3.007 1.00 0.00 C -ATOM 288 O GLU A 17 2.463 1.993 2.828 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.309 2.825 4.737 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.671 3.309 6.137 1.00 0.00 C -ATOM 291 CD GLU A 17 0.213 2.607 7.171 1.00 0.00 C -ATOM 292 OE1 GLU A 17 -0.095 1.479 7.517 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.184 3.211 7.598 1.00 0.00 O -ATOM 294 H GLU A 17 0.309 5.220 4.569 1.00 0.00 H -ATOM 295 HA GLU A 17 1.808 2.847 5.134 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -0.986 3.268 4.022 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.400 1.751 4.696 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.524 4.376 6.197 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.706 3.075 6.332 1.00 0.00 H -ATOM 300 N LEU A 18 0.643 2.959 2.042 1.00 0.00 N -ATOM 301 CA LEU A 18 0.874 2.436 0.664 1.00 0.00 C -ATOM 302 C LEU A 18 2.239 2.850 0.117 1.00 0.00 C -ATOM 303 O LEU A 18 3.009 2.012 -0.310 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.249 3.030 -0.186 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.282 2.328 -1.542 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.771 0.891 -1.363 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.235 3.073 -2.479 1.00 0.00 C -ATOM 308 H LEU A 18 -0.154 3.493 2.233 1.00 0.00 H -ATOM 309 HA LEU A 18 0.799 1.365 0.670 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.195 2.890 0.317 1.00 0.00 H -ATOM 311 HB3 LEU A 18 -0.071 4.084 -0.335 1.00 0.00 H -ATOM 312 HG LEU A 18 0.710 2.320 -1.966 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.440 0.505 -0.419 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.377 0.275 -2.155 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.850 0.874 -1.395 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.240 2.702 -2.340 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -0.931 2.914 -3.502 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.207 4.129 -2.256 1.00 0.00 H -ATOM 319 N ARG A 19 2.552 4.124 0.113 1.00 0.00 N -ATOM 320 CA ARG A 19 3.881 4.566 -0.429 1.00 0.00 C -ATOM 321 C ARG A 19 5.012 3.769 0.235 1.00 0.00 C -ATOM 322 O ARG A 19 6.025 3.483 -0.375 1.00 0.00 O -ATOM 323 CB ARG A 19 3.988 6.053 -0.091 1.00 0.00 C -ATOM 324 CG ARG A 19 3.019 6.847 -0.969 1.00 0.00 C -ATOM 325 CD ARG A 19 3.562 8.264 -1.178 1.00 0.00 C -ATOM 326 NE ARG A 19 4.559 8.135 -2.275 1.00 0.00 N -ATOM 327 CZ ARG A 19 4.448 8.869 -3.348 1.00 0.00 C -ATOM 328 NH1 ARG A 19 4.608 10.162 -3.275 1.00 0.00 N -ATOM 329 NH2 ARG A 19 4.176 8.311 -4.496 1.00 0.00 N -ATOM 330 H ARG A 19 1.915 4.786 0.455 1.00 0.00 H -ATOM 331 HA ARG A 19 3.905 4.423 -1.502 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.739 6.204 0.950 1.00 0.00 H -ATOM 333 HB3 ARG A 19 4.996 6.391 -0.273 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.917 6.356 -1.925 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.055 6.901 -0.486 1.00 0.00 H -ATOM 336 HD2 ARG A 19 2.762 8.932 -1.468 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.043 8.619 -0.281 1.00 0.00 H -ATOM 338 HE ARG A 19 5.301 7.499 -2.190 1.00 0.00 H -ATOM 339 HH11 ARG A 19 4.817 10.591 -2.395 1.00 0.00 H -ATOM 340 HH12 ARG A 19 4.522 10.724 -4.097 1.00 0.00 H -ATOM 341 HH21 ARG A 19 4.052 7.320 -4.553 1.00 0.00 H -ATOM 342 HH22 ARG A 19 4.091 8.873 -5.318 1.00 0.00 H -ATOM 343 N ASP A 20 4.816 3.371 1.468 1.00 0.00 N -ATOM 344 CA ASP A 20 5.845 2.546 2.164 1.00 0.00 C -ATOM 345 C ASP A 20 5.715 1.112 1.650 1.00 0.00 C -ATOM 346 O ASP A 20 6.687 0.449 1.350 1.00 0.00 O -ATOM 347 CB ASP A 20 5.496 2.630 3.652 1.00 0.00 C -ATOM 348 CG ASP A 20 6.484 1.786 4.460 1.00 0.00 C -ATOM 349 OD1 ASP A 20 6.545 0.592 4.221 1.00 0.00 O -ATOM 350 OD2 ASP A 20 7.163 2.349 5.303 1.00 0.00 O -ATOM 351 H ASP A 20 3.974 3.587 1.923 1.00 0.00 H -ATOM 352 HA ASP A 20 6.836 2.932 1.982 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.553 3.660 3.976 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.493 2.258 3.811 1.00 0.00 H -ATOM 355 N PHE A 21 4.496 0.655 1.512 1.00 0.00 N -ATOM 356 CA PHE A 21 4.243 -0.719 0.975 1.00 0.00 C -ATOM 357 C PHE A 21 4.816 -0.826 -0.441 1.00 0.00 C -ATOM 358 O PHE A 21 5.670 -1.637 -0.738 1.00 0.00 O -ATOM 359 CB PHE A 21 2.716 -0.832 0.899 1.00 0.00 C -ATOM 360 CG PHE A 21 2.364 -2.089 0.152 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.436 -3.304 0.817 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.006 -2.035 -1.205 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.138 -4.492 0.141 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.708 -3.224 -1.884 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.771 -4.452 -1.210 1.00 0.00 C -ATOM 366 H PHE A 21 3.739 1.236 1.739 1.00 0.00 H -ATOM 367 HA PHE A 21 4.637 -1.490 1.626 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.311 -0.875 1.891 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.306 0.020 0.383 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.737 -3.319 1.855 1.00 0.00 H -ATOM 371 HD2 PHE A 21 1.959 -1.076 -1.729 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.188 -5.438 0.661 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.437 -3.196 -2.926 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.543 -5.367 -1.735 1.00 0.00 H -ATOM 375 N ILE A 22 4.294 0.001 -1.306 1.00 0.00 N -ATOM 376 CA ILE A 22 4.708 0.021 -2.749 1.00 0.00 C -ATOM 377 C ILE A 22 6.237 -0.031 -2.861 1.00 0.00 C -ATOM 378 O ILE A 22 6.787 -0.565 -3.805 1.00 0.00 O -ATOM 379 CB ILE A 22 4.160 1.353 -3.277 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.617 1.339 -3.209 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.613 1.569 -4.726 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.039 0.291 -4.158 1.00 0.00 C -ATOM 383 H ILE A 22 3.603 0.615 -0.994 1.00 0.00 H -ATOM 384 HA ILE A 22 4.250 -0.800 -3.286 1.00 0.00 H -ATOM 385 HB ILE A 22 4.538 2.158 -2.664 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.298 1.101 -2.206 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.239 2.312 -3.482 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.315 2.553 -5.054 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.150 0.823 -5.355 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.686 1.475 -4.785 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.555 -0.480 -3.583 1.00 0.00 H -ATOM 392 HD12 ILE A 22 2.831 -0.143 -4.747 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.319 0.762 -4.810 1.00 0.00 H -ATOM 394 N GLU A 23 6.911 0.514 -1.887 1.00 0.00 N -ATOM 395 CA GLU A 23 8.403 0.498 -1.900 1.00 0.00 C -ATOM 396 C GLU A 23 8.917 -0.723 -1.133 1.00 0.00 C -ATOM 397 O GLU A 23 9.874 -1.360 -1.534 1.00 0.00 O -ATOM 398 CB GLU A 23 8.825 1.790 -1.201 1.00 0.00 C -ATOM 399 CG GLU A 23 8.331 2.993 -2.006 1.00 0.00 C -ATOM 400 CD GLU A 23 9.068 3.050 -3.345 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.287 3.120 -3.325 1.00 0.00 O -ATOM 402 OE2 GLU A 23 8.403 3.024 -4.367 1.00 0.00 O -ATOM 403 H GLU A 23 6.430 0.929 -1.137 1.00 0.00 H -ATOM 404 HA GLU A 23 8.771 0.488 -2.915 1.00 0.00 H -ATOM 405 HB2 GLU A 23 8.396 1.819 -0.209 1.00 0.00 H -ATOM 406 HB3 GLU A 23 9.901 1.826 -1.129 1.00 0.00 H -ATOM 407 HG2 GLU A 23 7.269 2.895 -2.183 1.00 0.00 H -ATOM 408 HG3 GLU A 23 8.521 3.900 -1.453 1.00 0.00 H -ATOM 409 N LYS A 24 8.284 -1.056 -0.035 1.00 0.00 N -ATOM 410 CA LYS A 24 8.727 -2.242 0.759 1.00 0.00 C -ATOM 411 C LYS A 24 8.528 -3.518 -0.060 1.00 0.00 C -ATOM 412 O LYS A 24 9.342 -4.419 -0.027 1.00 0.00 O -ATOM 413 CB LYS A 24 7.835 -2.258 2.002 1.00 0.00 C -ATOM 414 CG LYS A 24 8.480 -3.129 3.083 1.00 0.00 C -ATOM 415 CD LYS A 24 7.947 -4.559 2.975 1.00 0.00 C -ATOM 416 CE LYS A 24 8.761 -5.476 3.891 1.00 0.00 C -ATOM 417 NZ LYS A 24 9.994 -5.795 3.120 1.00 0.00 N -ATOM 418 H LYS A 24 7.512 -0.526 0.260 1.00 0.00 H -ATOM 419 HA LYS A 24 9.762 -2.136 1.047 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.719 -1.250 2.375 1.00 0.00 H -ATOM 421 HB3 LYS A 24 6.867 -2.661 1.748 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.552 -3.132 2.951 1.00 0.00 H -ATOM 423 HG3 LYS A 24 8.239 -2.730 4.058 1.00 0.00 H -ATOM 424 HD2 LYS A 24 6.909 -4.581 3.272 1.00 0.00 H -ATOM 425 HD3 LYS A 24 8.038 -4.902 1.955 1.00 0.00 H -ATOM 426 HE2 LYS A 24 9.010 -4.962 4.810 1.00 0.00 H -ATOM 427 HE3 LYS A 24 8.212 -6.380 4.102 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 10.463 -4.913 2.833 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 9.742 -6.342 2.272 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 10.639 -6.354 3.715 1.00 0.00 H -ATOM 431 N PHE A 25 7.445 -3.597 -0.796 1.00 0.00 N -ATOM 432 CA PHE A 25 7.176 -4.810 -1.629 1.00 0.00 C -ATOM 433 C PHE A 25 8.374 -5.099 -2.561 1.00 0.00 C -ATOM 434 O PHE A 25 9.344 -5.710 -2.149 1.00 0.00 O -ATOM 435 CB PHE A 25 5.879 -4.478 -2.397 1.00 0.00 C -ATOM 436 CG PHE A 25 5.575 -5.547 -3.425 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.537 -6.896 -3.055 1.00 0.00 C -ATOM 438 CD2 PHE A 25 5.339 -5.177 -4.753 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.260 -7.876 -4.017 1.00 0.00 C -ATOM 440 CE2 PHE A 25 5.064 -6.153 -5.715 1.00 0.00 C -ATOM 441 CZ PHE A 25 5.024 -7.505 -5.348 1.00 0.00 C -ATOM 442 H PHE A 25 6.807 -2.856 -0.799 1.00 0.00 H -ATOM 443 HA PHE A 25 7.006 -5.651 -0.993 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.057 -4.414 -1.700 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.994 -3.527 -2.898 1.00 0.00 H -ATOM 446 HD1 PHE A 25 5.719 -7.181 -2.029 1.00 0.00 H -ATOM 447 HD2 PHE A 25 5.370 -4.135 -5.034 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.230 -8.918 -3.735 1.00 0.00 H -ATOM 449 HE2 PHE A 25 4.883 -5.863 -6.741 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.810 -8.259 -6.090 1.00 0.00 H -ATOM 451 N LYS A 26 8.312 -4.694 -3.804 1.00 0.00 N -ATOM 452 CA LYS A 26 9.425 -4.968 -4.749 1.00 0.00 C -ATOM 453 C LYS A 26 9.437 -3.897 -5.848 1.00 0.00 C -ATOM 454 O LYS A 26 10.461 -3.340 -6.192 1.00 0.00 O -ATOM 455 CB LYS A 26 9.091 -6.392 -5.257 1.00 0.00 C -ATOM 456 CG LYS A 26 8.629 -6.416 -6.724 1.00 0.00 C -ATOM 457 CD LYS A 26 8.481 -7.864 -7.195 1.00 0.00 C -ATOM 458 CE LYS A 26 9.850 -8.419 -7.608 1.00 0.00 C -ATOM 459 NZ LYS A 26 10.202 -9.410 -6.552 1.00 0.00 N -ATOM 460 H LYS A 26 7.531 -4.236 -4.124 1.00 0.00 H -ATOM 461 HA LYS A 26 10.359 -4.972 -4.229 1.00 0.00 H -ATOM 462 HB2 LYS A 26 9.960 -7.019 -5.152 1.00 0.00 H -ATOM 463 HB3 LYS A 26 8.295 -6.784 -4.642 1.00 0.00 H -ATOM 464 HG2 LYS A 26 7.676 -5.911 -6.801 1.00 0.00 H -ATOM 465 HG3 LYS A 26 9.356 -5.909 -7.340 1.00 0.00 H -ATOM 466 HD2 LYS A 26 8.075 -8.463 -6.390 1.00 0.00 H -ATOM 467 HD3 LYS A 26 7.811 -7.900 -8.040 1.00 0.00 H -ATOM 468 HE2 LYS A 26 9.779 -8.903 -8.573 1.00 0.00 H -ATOM 469 HE3 LYS A 26 10.586 -7.631 -7.635 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 9.488 -10.165 -6.534 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 10.229 -8.937 -5.627 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 11.136 -9.820 -6.761 1.00 0.00 H -ATOM 473 N GLY A 27 8.288 -3.629 -6.391 1.00 0.00 N -ATOM 474 CA GLY A 27 8.165 -2.612 -7.475 1.00 0.00 C -ATOM 475 C GLY A 27 9.040 -3.014 -8.666 1.00 0.00 C -ATOM 476 O GLY A 27 10.024 -2.367 -8.970 1.00 0.00 O -ATOM 477 H GLY A 27 7.497 -4.108 -6.079 1.00 0.00 H -ATOM 478 HA2 GLY A 27 7.132 -2.554 -7.791 1.00 0.00 H -ATOM 479 HA3 GLY A 27 8.486 -1.650 -7.106 1.00 0.00 H -ATOM 480 N ARG A 28 8.688 -4.081 -9.338 1.00 0.00 N -ATOM 481 CA ARG A 28 9.494 -4.536 -10.511 1.00 0.00 C -ATOM 482 C ARG A 28 8.574 -5.068 -11.613 1.00 0.00 C -ATOM 483 O ARG A 28 7.723 -5.886 -11.305 1.00 0.00 O -ATOM 484 CB ARG A 28 10.383 -5.656 -9.969 1.00 0.00 C -ATOM 485 CG ARG A 28 11.553 -5.887 -10.928 1.00 0.00 C -ATOM 486 CD ARG A 28 12.590 -4.777 -10.744 1.00 0.00 C -ATOM 487 NE ARG A 28 13.243 -5.073 -9.439 1.00 0.00 N -ATOM 488 CZ ARG A 28 14.439 -5.593 -9.412 1.00 0.00 C -ATOM 489 NH1 ARG A 28 15.414 -5.020 -10.062 1.00 0.00 N -ATOM 490 NH2 ARG A 28 14.660 -6.687 -8.734 1.00 0.00 N -ATOM 491 OXT ARG A 28 8.737 -4.649 -12.747 1.00 0.00 O -ATOM 492 H ARG A 28 7.891 -4.585 -9.070 1.00 0.00 H -ATOM 493 HA ARG A 28 10.104 -3.729 -10.885 1.00 0.00 H -ATOM 494 HB2 ARG A 28 10.763 -5.375 -8.997 1.00 0.00 H -ATOM 495 HB3 ARG A 28 9.807 -6.564 -9.883 1.00 0.00 H -ATOM 496 HG2 ARG A 28 12.008 -6.845 -10.715 1.00 0.00 H -ATOM 497 HG3 ARG A 28 11.193 -5.877 -11.945 1.00 0.00 H -ATOM 498 HD2 ARG A 28 13.315 -4.805 -11.546 1.00 0.00 H -ATOM 499 HD3 ARG A 28 12.107 -3.813 -10.707 1.00 0.00 H -ATOM 500 HE ARG A 28 12.774 -4.877 -8.602 1.00 0.00 H -ATOM 501 HH11 ARG A 28 15.245 -4.182 -10.580 1.00 0.00 H -ATOM 502 HH12 ARG A 28 16.331 -5.418 -10.042 1.00 0.00 H -ATOM 503 HH21 ARG A 28 13.912 -7.126 -8.236 1.00 0.00 H -ATOM 504 HH22 ARG A 28 15.576 -7.086 -8.715 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 32 -ATOM 1 N GLU A 1 -15.773 8.062 1.467 1.00 0.00 N -ATOM 2 CA GLU A 1 -15.591 7.715 0.028 1.00 0.00 C -ATOM 3 C GLU A 1 -14.158 8.028 -0.414 1.00 0.00 C -ATOM 4 O GLU A 1 -13.908 9.005 -1.096 1.00 0.00 O -ATOM 5 CB GLU A 1 -16.592 8.596 -0.723 1.00 0.00 C -ATOM 6 CG GLU A 1 -16.737 8.092 -2.160 1.00 0.00 C -ATOM 7 CD GLU A 1 -17.872 7.069 -2.229 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -17.658 5.945 -1.807 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -18.937 7.428 -2.704 1.00 0.00 O -ATOM 10 H1 GLU A 1 -16.729 7.795 1.771 1.00 0.00 H -ATOM 11 H2 GLU A 1 -15.641 9.087 1.594 1.00 0.00 H -ATOM 12 H3 GLU A 1 -15.073 7.549 2.038 1.00 0.00 H -ATOM 13 HA GLU A 1 -15.818 6.675 -0.140 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -17.551 8.554 -0.227 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -16.236 9.615 -0.735 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -16.960 8.923 -2.811 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -15.816 7.625 -2.473 1.00 0.00 H -ATOM 18 N GLN A 2 -13.218 7.204 -0.028 1.00 0.00 N -ATOM 19 CA GLN A 2 -11.796 7.442 -0.418 1.00 0.00 C -ATOM 20 C GLN A 2 -11.112 6.117 -0.774 1.00 0.00 C -ATOM 21 O GLN A 2 -11.759 5.151 -1.124 1.00 0.00 O -ATOM 22 CB GLN A 2 -11.145 8.082 0.819 1.00 0.00 C -ATOM 23 CG GLN A 2 -10.108 9.130 0.379 1.00 0.00 C -ATOM 24 CD GLN A 2 -10.172 10.337 1.316 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -11.066 11.154 1.214 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -9.253 10.487 2.231 1.00 0.00 N -ATOM 27 H GLN A 2 -13.447 6.426 0.522 1.00 0.00 H -ATOM 28 HA GLN A 2 -11.741 8.123 -1.250 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -11.908 8.558 1.418 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -10.655 7.317 1.402 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -9.112 8.698 0.415 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -10.324 9.448 -0.630 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -8.531 9.829 2.313 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -9.285 11.257 2.836 1.00 0.00 H -ATOM 35 N TYR A 3 -9.804 6.106 -0.693 1.00 0.00 N -ATOM 36 CA TYR A 3 -8.950 4.909 -1.015 1.00 0.00 C -ATOM 37 C TYR A 3 -9.662 3.555 -0.968 1.00 0.00 C -ATOM 38 O TYR A 3 -10.442 3.266 -0.082 1.00 0.00 O -ATOM 39 CB TYR A 3 -7.874 4.930 0.073 1.00 0.00 C -ATOM 40 CG TYR A 3 -6.614 5.507 -0.489 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -5.705 4.677 -1.148 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -6.364 6.870 -0.360 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -4.537 5.216 -1.682 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -5.200 7.417 -0.890 1.00 0.00 C -ATOM 45 CZ TYR A 3 -4.278 6.591 -1.555 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.121 7.129 -2.082 1.00 0.00 O -ATOM 47 H TYR A 3 -9.352 6.927 -0.423 1.00 0.00 H -ATOM 48 HA TYR A 3 -8.483 5.039 -1.976 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -8.208 5.537 0.902 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -7.683 3.925 0.419 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -5.908 3.617 -1.246 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -7.074 7.504 0.151 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -3.839 4.572 -2.191 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -5.016 8.474 -0.787 1.00 0.00 H -ATOM 55 HH TYR A 3 -2.403 6.516 -1.908 1.00 0.00 H -ATOM 56 N THR A 4 -9.330 2.714 -1.907 1.00 0.00 N -ATOM 57 CA THR A 4 -9.900 1.343 -1.941 1.00 0.00 C -ATOM 58 C THR A 4 -8.951 0.400 -2.697 1.00 0.00 C -ATOM 59 O THR A 4 -9.357 -0.645 -3.166 1.00 0.00 O -ATOM 60 CB THR A 4 -11.247 1.449 -2.656 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.890 2.662 -2.289 1.00 0.00 O -ATOM 62 CG2 THR A 4 -12.122 0.259 -2.246 1.00 0.00 C -ATOM 63 H THR A 4 -8.670 2.981 -2.580 1.00 0.00 H -ATOM 64 HA THR A 4 -10.052 0.986 -0.936 1.00 0.00 H -ATOM 65 HB THR A 4 -11.095 1.427 -3.724 1.00 0.00 H -ATOM 66 HG1 THR A 4 -11.803 3.278 -3.021 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.747 -0.169 -1.323 1.00 0.00 H -ATOM 68 HG22 THR A 4 -12.097 -0.490 -3.024 1.00 0.00 H -ATOM 69 HG23 THR A 4 -13.138 0.593 -2.100 1.00 0.00 H -ATOM 70 N ALA A 5 -7.683 0.753 -2.803 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.713 -0.135 -3.508 1.00 0.00 C -ATOM 72 C ALA A 5 -6.620 -1.464 -2.767 1.00 0.00 C -ATOM 73 O ALA A 5 -7.485 -1.789 -1.980 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.376 0.607 -3.449 1.00 0.00 C -ATOM 75 H ALA A 5 -7.367 1.590 -2.410 1.00 0.00 H -ATOM 76 HA ALA A 5 -7.007 -0.288 -4.526 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.551 1.670 -3.539 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.742 0.275 -4.258 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.895 0.401 -2.504 1.00 0.00 H -ATOM 80 N LYS A 6 -5.575 -2.226 -2.997 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.415 -3.540 -2.271 1.00 0.00 C -ATOM 82 C LYS A 6 -4.099 -4.245 -2.639 1.00 0.00 C -ATOM 83 O LYS A 6 -3.548 -4.980 -1.842 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.624 -4.406 -2.664 1.00 0.00 C -ATOM 85 CG LYS A 6 -6.541 -5.771 -1.971 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.791 -6.589 -2.301 1.00 0.00 C -ATOM 87 CE LYS A 6 -8.923 -6.200 -1.347 1.00 0.00 C -ATOM 88 NZ LYS A 6 -10.167 -6.334 -2.154 1.00 0.00 N -ATOM 89 H LYS A 6 -4.894 -1.922 -3.627 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.429 -3.352 -1.217 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -7.532 -3.912 -2.360 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -6.632 -4.548 -3.734 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -5.663 -6.298 -2.316 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.479 -5.629 -0.902 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -8.092 -6.390 -3.320 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -7.573 -7.640 -2.189 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -8.946 -6.871 -0.500 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -8.804 -5.180 -1.018 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -10.995 -6.176 -1.542 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -10.215 -7.288 -2.563 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -10.163 -5.631 -2.919 1.00 0.00 H -ATOM 102 N TYR A 7 -3.581 -4.012 -3.816 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.287 -4.636 -4.233 1.00 0.00 C -ATOM 104 C TYR A 7 -2.330 -6.167 -4.081 1.00 0.00 C -ATOM 105 O TYR A 7 -2.704 -6.867 -5.003 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.249 -3.979 -3.321 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.221 -2.515 -3.637 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.189 -1.685 -3.080 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.261 -1.998 -4.504 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.209 -0.333 -3.380 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.272 -0.639 -4.818 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.249 0.201 -4.257 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.266 1.545 -4.569 1.00 0.00 O -ATOM 114 H TYR A 7 -4.023 -3.405 -4.419 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.072 -4.377 -5.259 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.545 -4.109 -2.292 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.277 -4.409 -3.489 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.920 -2.094 -2.401 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.486 -2.648 -4.934 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.966 0.294 -2.935 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.481 -0.237 -5.479 1.00 0.00 H -ATOM 122 HH TYR A 7 -2.172 1.790 -4.773 1.00 0.00 H -ATOM 123 N LYS A 8 -1.962 -6.696 -2.937 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.999 -8.178 -2.754 1.00 0.00 C -ATOM 125 C LYS A 8 -3.329 -8.585 -2.115 1.00 0.00 C -ATOM 126 O LYS A 8 -4.102 -9.332 -2.686 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.827 -8.496 -1.818 1.00 0.00 C -ATOM 128 CG LYS A 8 0.280 -9.209 -2.599 1.00 0.00 C -ATOM 129 CD LYS A 8 -0.019 -10.708 -2.651 1.00 0.00 C -ATOM 130 CE LYS A 8 1.068 -11.418 -3.461 1.00 0.00 C -ATOM 131 NZ LYS A 8 0.530 -12.785 -3.707 1.00 0.00 N -ATOM 132 H LYS A 8 -1.668 -6.122 -2.200 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.867 -8.678 -3.701 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.438 -7.578 -1.401 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -1.167 -9.137 -1.017 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.321 -8.814 -3.605 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.228 -9.049 -2.110 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.039 -11.105 -1.646 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -0.977 -10.868 -3.121 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.236 -10.902 -4.396 1.00 0.00 H -ATOM 141 HE3 LYS A 8 1.983 -11.478 -2.891 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 -0.403 -12.712 -4.163 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 0.438 -13.290 -2.803 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 1.180 -13.307 -4.327 1.00 0.00 H -ATOM 145 N GLY A 9 -3.596 -8.090 -0.939 1.00 0.00 N -ATOM 146 CA GLY A 9 -4.871 -8.423 -0.242 1.00 0.00 C -ATOM 147 C GLY A 9 -5.050 -7.463 0.930 1.00 0.00 C -ATOM 148 O GLY A 9 -5.560 -7.823 1.974 1.00 0.00 O -ATOM 149 H GLY A 9 -2.953 -7.487 -0.510 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -5.698 -8.319 -0.930 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -4.829 -9.437 0.128 1.00 0.00 H -ATOM 152 N ARG A 10 -4.617 -6.240 0.762 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.735 -5.234 1.858 1.00 0.00 C -ATOM 154 C ARG A 10 -5.122 -3.878 1.277 1.00 0.00 C -ATOM 155 O ARG A 10 -4.294 -3.208 0.696 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.330 -5.141 2.461 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.894 -6.514 2.986 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.474 -6.424 3.552 1.00 0.00 C -ATOM 159 NE ARG A 10 -1.647 -6.404 5.029 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.012 -5.521 5.749 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -1.165 -4.247 5.507 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -0.221 -5.910 6.711 1.00 0.00 N -ATOM 163 H ARG A 10 -4.202 -5.983 -0.091 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.444 -5.554 2.604 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.635 -4.804 1.698 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.336 -4.432 3.276 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.573 -6.833 3.764 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.911 -7.229 2.178 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.897 -7.288 3.254 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -0.991 -5.517 3.225 1.00 0.00 H -ATOM 171 HE ARG A 10 -2.235 -7.055 5.461 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -1.771 -3.949 4.770 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -0.678 -3.571 6.059 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -0.103 -6.886 6.898 1.00 0.00 H -ATOM 175 HH22 ARG A 10 0.267 -5.234 7.263 1.00 0.00 H -ATOM 176 N THR A 11 -6.354 -3.455 1.427 1.00 0.00 N -ATOM 177 CA THR A 11 -6.730 -2.126 0.867 1.00 0.00 C -ATOM 178 C THR A 11 -6.050 -1.022 1.672 1.00 0.00 C -ATOM 179 O THR A 11 -6.169 -0.952 2.879 1.00 0.00 O -ATOM 180 CB THR A 11 -8.253 -2.009 0.955 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.851 -3.136 0.328 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.696 -0.727 0.241 1.00 0.00 C -ATOM 183 H THR A 11 -7.014 -4.000 1.903 1.00 0.00 H -ATOM 184 HA THR A 11 -6.420 -2.067 -0.159 1.00 0.00 H -ATOM 185 HB THR A 11 -8.561 -1.963 1.985 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.039 -3.788 1.007 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.169 -0.066 0.952 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.399 -0.975 -0.540 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.835 -0.232 -0.194 1.00 0.00 H -ATOM 190 N PHE A 12 -5.318 -0.174 1.002 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.595 0.924 1.703 1.00 0.00 C -ATOM 192 C PHE A 12 -5.479 2.163 1.829 1.00 0.00 C -ATOM 193 O PHE A 12 -5.819 2.796 0.849 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.389 1.205 0.819 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.450 0.038 0.917 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.677 -1.095 0.128 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.357 0.087 1.790 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.807 -2.189 0.212 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.485 -1.005 1.869 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.713 -2.144 1.082 1.00 0.00 C -ATOM 201 H PHE A 12 -5.233 -0.269 0.030 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.263 0.594 2.675 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.709 1.323 -0.209 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -2.890 2.102 1.153 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.528 -1.125 -0.544 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.192 0.965 2.410 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.984 -3.074 -0.388 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.363 -0.971 2.536 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.042 -2.985 1.142 1.00 0.00 H -ATOM 210 N ARG A 13 -5.842 2.513 3.035 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.701 3.715 3.250 1.00 0.00 C -ATOM 212 C ARG A 13 -5.837 4.889 3.714 1.00 0.00 C -ATOM 213 O ARG A 13 -6.261 5.706 4.511 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.694 3.305 4.347 1.00 0.00 C -ATOM 215 CG ARG A 13 -9.129 3.540 3.865 1.00 0.00 C -ATOM 216 CD ARG A 13 -10.114 2.899 4.851 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.627 1.689 4.155 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.883 1.353 4.268 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.815 2.262 4.165 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -12.207 0.107 4.479 1.00 0.00 N -ATOM 221 H ARG A 13 -5.544 1.983 3.804 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.227 3.969 2.345 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.562 2.258 4.580 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -7.516 3.894 5.235 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -9.318 4.602 3.805 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -9.258 3.096 2.889 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -9.606 2.620 5.763 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -10.926 3.575 5.063 1.00 0.00 H -ATOM 229 HE ARG A 13 -10.019 1.143 3.618 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -12.567 3.216 4.001 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -13.777 2.002 4.255 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -11.494 -0.591 4.555 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -13.170 -0.151 4.566 1.00 0.00 H -ATOM 234 N ASN A 14 -4.626 4.971 3.226 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.722 6.080 3.634 1.00 0.00 C -ATOM 236 C ASN A 14 -2.545 6.170 2.661 1.00 0.00 C -ATOM 237 O ASN A 14 -2.251 5.232 1.944 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.244 5.692 5.033 1.00 0.00 C -ATOM 239 CG ASN A 14 -2.813 6.941 5.798 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -3.631 7.767 6.153 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.550 7.114 6.069 1.00 0.00 N -ATOM 242 H ASN A 14 -4.307 4.296 2.589 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.259 7.015 3.670 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -4.050 5.204 5.565 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.409 5.017 4.952 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -0.894 6.448 5.779 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.258 7.905 6.566 1.00 0.00 H -ATOM 248 N GLU A 15 -1.875 7.292 2.627 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.719 7.454 1.696 1.00 0.00 C -ATOM 250 C GLU A 15 0.580 7.008 2.373 1.00 0.00 C -ATOM 251 O GLU A 15 1.418 6.365 1.768 1.00 0.00 O -ATOM 252 CB GLU A 15 -0.676 8.950 1.385 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.129 9.167 -0.027 1.00 0.00 C -ATOM 254 CD GLU A 15 0.004 10.667 -0.295 1.00 0.00 C -ATOM 255 OE1 GLU A 15 0.924 11.265 0.238 1.00 0.00 O -ATOM 256 OE2 GLU A 15 -0.817 11.192 -1.028 1.00 0.00 O -ATOM 257 H GLU A 15 -2.136 8.033 3.212 1.00 0.00 H -ATOM 258 HA GLU A 15 -0.883 6.894 0.788 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.674 9.358 1.452 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.035 9.446 2.099 1.00 0.00 H -ATOM 261 HG2 GLU A 15 0.841 8.697 -0.113 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -0.806 8.733 -0.746 1.00 0.00 H -ATOM 263 N LYS A 16 0.753 7.354 3.623 1.00 0.00 N -ATOM 264 CA LYS A 16 1.997 6.968 4.352 1.00 0.00 C -ATOM 265 C LYS A 16 2.148 5.449 4.385 1.00 0.00 C -ATOM 266 O LYS A 16 3.231 4.914 4.243 1.00 0.00 O -ATOM 267 CB LYS A 16 1.823 7.514 5.769 1.00 0.00 C -ATOM 268 CG LYS A 16 1.684 9.039 5.721 1.00 0.00 C -ATOM 269 CD LYS A 16 3.068 9.684 5.813 1.00 0.00 C -ATOM 270 CE LYS A 16 2.989 11.133 5.326 1.00 0.00 C -ATOM 271 NZ LYS A 16 3.317 11.069 3.875 1.00 0.00 N -ATOM 272 H LYS A 16 0.067 7.877 4.079 1.00 0.00 H -ATOM 273 HA LYS A 16 2.845 7.414 3.889 1.00 0.00 H -ATOM 274 HB2 LYS A 16 0.935 7.084 6.210 1.00 0.00 H -ATOM 275 HB3 LYS A 16 2.684 7.252 6.365 1.00 0.00 H -ATOM 276 HG2 LYS A 16 1.213 9.330 4.794 1.00 0.00 H -ATOM 277 HG3 LYS A 16 1.080 9.372 6.552 1.00 0.00 H -ATOM 278 HD2 LYS A 16 3.407 9.665 6.839 1.00 0.00 H -ATOM 279 HD3 LYS A 16 3.763 9.137 5.194 1.00 0.00 H -ATOM 280 HE2 LYS A 16 1.990 11.522 5.473 1.00 0.00 H -ATOM 281 HE3 LYS A 16 3.712 11.745 5.842 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 4.283 10.708 3.752 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 3.247 12.023 3.463 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 2.648 10.435 3.395 1.00 0.00 H -ATOM 285 N GLU A 17 1.062 4.764 4.574 1.00 0.00 N -ATOM 286 CA GLU A 17 1.103 3.270 4.623 1.00 0.00 C -ATOM 287 C GLU A 17 1.538 2.709 3.272 1.00 0.00 C -ATOM 288 O GLU A 17 2.594 2.124 3.131 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.341 2.836 4.909 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.513 2.457 6.377 1.00 0.00 C -ATOM 291 CD GLU A 17 0.431 1.305 6.740 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.530 0.376 5.955 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.040 1.373 7.795 1.00 0.00 O -ATOM 294 H GLU A 17 0.215 5.238 4.683 1.00 0.00 H -ATOM 295 HA GLU A 17 1.759 2.930 5.408 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -1.009 3.649 4.672 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.590 1.983 4.292 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.296 3.317 6.995 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.532 2.143 6.536 1.00 0.00 H -ATOM 300 N LEU A 18 0.697 2.867 2.288 1.00 0.00 N -ATOM 301 CA LEU A 18 0.994 2.334 0.927 1.00 0.00 C -ATOM 302 C LEU A 18 2.385 2.752 0.441 1.00 0.00 C -ATOM 303 O LEU A 18 3.129 1.939 -0.066 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.098 2.923 0.035 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.038 2.284 -1.350 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.470 0.814 -1.261 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -0.975 3.040 -2.300 1.00 0.00 C -ATOM 308 H LEU A 18 -0.153 3.323 2.455 1.00 0.00 H -ATOM 309 HA LEU A 18 0.918 1.263 0.936 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.065 2.731 0.477 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.049 3.989 -0.057 1.00 0.00 H -ATOM 312 HG LEU A 18 0.970 2.340 -1.722 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.110 0.379 -0.347 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.065 0.266 -2.098 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.546 0.757 -1.283 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -1.885 2.475 -2.440 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -0.486 3.175 -3.253 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.215 4.008 -1.881 1.00 0.00 H -ATOM 319 N ARG A 19 2.757 4.001 0.594 1.00 0.00 N -ATOM 320 CA ARG A 19 4.118 4.430 0.131 1.00 0.00 C -ATOM 321 C ARG A 19 5.187 3.533 0.772 1.00 0.00 C -ATOM 322 O ARG A 19 6.197 3.223 0.168 1.00 0.00 O -ATOM 323 CB ARG A 19 4.275 5.877 0.594 1.00 0.00 C -ATOM 324 CG ARG A 19 3.473 6.802 -0.324 1.00 0.00 C -ATOM 325 CD ARG A 19 4.383 7.327 -1.439 1.00 0.00 C -ATOM 326 NE ARG A 19 3.511 8.210 -2.262 1.00 0.00 N -ATOM 327 CZ ARG A 19 3.389 7.996 -3.544 1.00 0.00 C -ATOM 328 NH1 ARG A 19 2.575 7.072 -3.977 1.00 0.00 N -ATOM 329 NH2 ARG A 19 4.080 8.706 -4.394 1.00 0.00 N -ATOM 330 H ARG A 19 2.150 4.648 1.011 1.00 0.00 H -ATOM 331 HA ARG A 19 4.178 4.371 -0.948 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.913 5.972 1.607 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.317 6.153 0.557 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.651 6.252 -0.759 1.00 0.00 H -ATOM 335 HG3 ARG A 19 3.090 7.634 0.247 1.00 0.00 H -ATOM 336 HD2 ARG A 19 5.202 7.892 -1.017 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.754 6.512 -2.038 1.00 0.00 H -ATOM 338 HE ARG A 19 3.031 8.954 -1.842 1.00 0.00 H -ATOM 339 HH11 ARG A 19 2.045 6.528 -3.326 1.00 0.00 H -ATOM 340 HH12 ARG A 19 2.481 6.908 -4.959 1.00 0.00 H -ATOM 341 HH21 ARG A 19 4.704 9.414 -4.063 1.00 0.00 H -ATOM 342 HH22 ARG A 19 3.986 8.541 -5.376 1.00 0.00 H -ATOM 343 N ASP A 20 4.940 3.079 1.977 1.00 0.00 N -ATOM 344 CA ASP A 20 5.905 2.159 2.649 1.00 0.00 C -ATOM 345 C ASP A 20 5.757 0.781 2.003 1.00 0.00 C -ATOM 346 O ASP A 20 6.723 0.106 1.705 1.00 0.00 O -ATOM 347 CB ASP A 20 5.481 2.122 4.123 1.00 0.00 C -ATOM 348 CG ASP A 20 6.551 2.796 4.985 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.646 2.263 5.060 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.257 3.834 5.555 1.00 0.00 O -ATOM 351 H ASP A 20 4.101 3.319 2.425 1.00 0.00 H -ATOM 352 HA ASP A 20 6.916 2.523 2.549 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.542 2.643 4.243 1.00 0.00 H -ATOM 354 HB3 ASP A 20 5.364 1.096 4.440 1.00 0.00 H -ATOM 355 N PHE A 21 4.534 0.389 1.755 1.00 0.00 N -ATOM 356 CA PHE A 21 4.264 -0.921 1.087 1.00 0.00 C -ATOM 357 C PHE A 21 4.907 -0.921 -0.304 1.00 0.00 C -ATOM 358 O PHE A 21 5.759 -1.725 -0.627 1.00 0.00 O -ATOM 359 CB PHE A 21 2.738 -0.968 0.931 1.00 0.00 C -ATOM 360 CG PHE A 21 2.371 -2.151 0.078 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.359 -3.413 0.653 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.069 -1.980 -1.283 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.036 -4.533 -0.120 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.745 -3.099 -2.060 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.726 -4.376 -1.478 1.00 0.00 C -ATOM 366 H PHE A 21 3.786 0.980 1.987 1.00 0.00 H -ATOM 367 HA PHE A 21 4.599 -1.760 1.682 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.283 -1.064 1.898 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.384 -0.067 0.464 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.614 -3.519 1.699 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.091 -0.985 -1.734 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.021 -5.515 0.328 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.516 -2.982 -3.106 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.476 -5.238 -2.079 1.00 0.00 H -ATOM 375 N ILE A 22 4.454 -0.009 -1.118 1.00 0.00 N -ATOM 376 CA ILE A 22 4.954 0.123 -2.526 1.00 0.00 C -ATOM 377 C ILE A 22 6.489 0.075 -2.551 1.00 0.00 C -ATOM 378 O ILE A 22 7.096 -0.379 -3.502 1.00 0.00 O -ATOM 379 CB ILE A 22 4.449 1.499 -2.979 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.909 1.499 -2.999 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.983 1.816 -4.380 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.379 0.542 -4.063 1.00 0.00 C -ATOM 383 H ILE A 22 3.764 0.598 -0.791 1.00 0.00 H -ATOM 384 HA ILE A 22 4.524 -0.649 -3.158 1.00 0.00 H -ATOM 385 HB ILE A 22 4.799 2.250 -2.287 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.533 1.183 -2.042 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.555 2.497 -3.211 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.656 2.801 -4.674 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.597 1.085 -5.074 1.00 0.00 H -ATOM 390 HG23 ILE A 22 6.060 1.777 -4.373 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.829 -0.250 -3.582 1.00 0.00 H -ATOM 392 HD12 ILE A 22 3.202 0.124 -4.620 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.727 1.082 -4.730 1.00 0.00 H -ATOM 394 N GLU A 23 7.103 0.545 -1.499 1.00 0.00 N -ATOM 395 CA GLU A 23 8.596 0.541 -1.429 1.00 0.00 C -ATOM 396 C GLU A 23 9.100 -0.848 -1.037 1.00 0.00 C -ATOM 397 O GLU A 23 10.153 -1.279 -1.468 1.00 0.00 O -ATOM 398 CB GLU A 23 8.948 1.565 -0.348 1.00 0.00 C -ATOM 399 CG GLU A 23 8.961 2.968 -0.959 1.00 0.00 C -ATOM 400 CD GLU A 23 10.365 3.289 -1.475 1.00 0.00 C -ATOM 401 OE1 GLU A 23 10.757 2.703 -2.471 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.024 4.114 -0.865 1.00 0.00 O -ATOM 403 H GLU A 23 6.577 0.902 -0.750 1.00 0.00 H -ATOM 404 HA GLU A 23 9.018 0.842 -2.375 1.00 0.00 H -ATOM 405 HB2 GLU A 23 8.213 1.521 0.442 1.00 0.00 H -ATOM 406 HB3 GLU A 23 9.924 1.341 0.055 1.00 0.00 H -ATOM 407 HG2 GLU A 23 8.257 3.010 -1.778 1.00 0.00 H -ATOM 408 HG3 GLU A 23 8.683 3.690 -0.207 1.00 0.00 H -ATOM 409 N LYS A 24 8.352 -1.551 -0.228 1.00 0.00 N -ATOM 410 CA LYS A 24 8.776 -2.920 0.193 1.00 0.00 C -ATOM 411 C LYS A 24 8.481 -3.918 -0.929 1.00 0.00 C -ATOM 412 O LYS A 24 9.370 -4.578 -1.435 1.00 0.00 O -ATOM 413 CB LYS A 24 7.935 -3.236 1.432 1.00 0.00 C -ATOM 414 CG LYS A 24 8.633 -2.684 2.677 1.00 0.00 C -ATOM 415 CD LYS A 24 7.598 -2.427 3.775 1.00 0.00 C -ATOM 416 CE LYS A 24 7.144 -3.760 4.376 1.00 0.00 C -ATOM 417 NZ LYS A 24 5.841 -4.054 3.718 1.00 0.00 N -ATOM 418 H LYS A 24 7.506 -1.179 0.100 1.00 0.00 H -ATOM 419 HA LYS A 24 9.825 -2.930 0.443 1.00 0.00 H -ATOM 420 HB2 LYS A 24 6.961 -2.779 1.332 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.824 -4.306 1.529 1.00 0.00 H -ATOM 422 HG2 LYS A 24 9.361 -3.400 3.029 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.130 -1.757 2.430 1.00 0.00 H -ATOM 424 HD2 LYS A 24 8.038 -1.814 4.548 1.00 0.00 H -ATOM 425 HD3 LYS A 24 6.745 -1.917 3.353 1.00 0.00 H -ATOM 426 HE2 LYS A 24 7.865 -4.537 4.156 1.00 0.00 H -ATOM 427 HE3 LYS A 24 7.006 -3.665 5.442 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 5.990 -4.178 2.695 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 5.184 -3.265 3.880 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 5.438 -4.925 4.117 1.00 0.00 H -ATOM 431 N PHE A 25 7.238 -4.027 -1.320 1.00 0.00 N -ATOM 432 CA PHE A 25 6.865 -4.971 -2.406 1.00 0.00 C -ATOM 433 C PHE A 25 7.132 -4.337 -3.777 1.00 0.00 C -ATOM 434 O PHE A 25 6.236 -4.194 -4.587 1.00 0.00 O -ATOM 435 CB PHE A 25 5.369 -5.232 -2.208 1.00 0.00 C -ATOM 436 CG PHE A 25 4.891 -6.237 -3.225 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.487 -7.500 -3.296 1.00 0.00 C -ATOM 438 CD2 PHE A 25 3.849 -5.903 -4.097 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.041 -8.433 -4.239 1.00 0.00 C -ATOM 440 CE2 PHE A 25 3.402 -6.836 -5.042 1.00 0.00 C -ATOM 441 CZ PHE A 25 3.998 -8.101 -5.113 1.00 0.00 C -ATOM 442 H PHE A 25 6.550 -3.488 -0.897 1.00 0.00 H -ATOM 443 HA PHE A 25 7.412 -5.885 -2.297 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.199 -5.616 -1.214 1.00 0.00 H -ATOM 445 HB3 PHE A 25 4.824 -4.308 -2.335 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.292 -7.754 -2.621 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.391 -4.926 -4.042 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.502 -9.409 -4.293 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.598 -6.580 -5.716 1.00 0.00 H -ATOM 450 HZ PHE A 25 3.654 -8.821 -5.841 1.00 0.00 H -ATOM 451 N LYS A 26 8.358 -3.956 -4.038 1.00 0.00 N -ATOM 452 CA LYS A 26 8.687 -3.326 -5.356 1.00 0.00 C -ATOM 453 C LYS A 26 8.387 -4.295 -6.497 1.00 0.00 C -ATOM 454 O LYS A 26 8.029 -3.897 -7.589 1.00 0.00 O -ATOM 455 CB LYS A 26 10.184 -3.013 -5.298 1.00 0.00 C -ATOM 456 CG LYS A 26 10.441 -1.923 -4.252 1.00 0.00 C -ATOM 457 CD LYS A 26 11.553 -0.991 -4.741 1.00 0.00 C -ATOM 458 CE LYS A 26 11.879 0.030 -3.650 1.00 0.00 C -ATOM 459 NZ LYS A 26 12.834 0.981 -4.285 1.00 0.00 N -ATOM 460 H LYS A 26 9.059 -4.081 -3.365 1.00 0.00 H -ATOM 461 HA LYS A 26 8.128 -2.423 -5.484 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.727 -3.907 -5.027 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.517 -2.668 -6.265 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.536 -1.353 -4.096 1.00 0.00 H -ATOM 465 HG3 LYS A 26 10.743 -2.383 -3.323 1.00 0.00 H -ATOM 466 HD2 LYS A 26 12.435 -1.571 -4.969 1.00 0.00 H -ATOM 467 HD3 LYS A 26 11.223 -0.473 -5.629 1.00 0.00 H -ATOM 468 HE2 LYS A 26 10.981 0.547 -3.338 1.00 0.00 H -ATOM 469 HE3 LYS A 26 12.347 -0.455 -2.808 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 13.643 0.453 -4.670 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 13.169 1.663 -3.576 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 12.355 1.492 -5.054 1.00 0.00 H -ATOM 473 N GLY A 27 8.531 -5.563 -6.242 1.00 0.00 N -ATOM 474 CA GLY A 27 8.258 -6.589 -7.294 1.00 0.00 C -ATOM 475 C GLY A 27 9.184 -6.363 -8.493 1.00 0.00 C -ATOM 476 O GLY A 27 8.756 -6.406 -9.632 1.00 0.00 O -ATOM 477 H GLY A 27 8.817 -5.840 -5.351 1.00 0.00 H -ATOM 478 HA2 GLY A 27 8.431 -7.574 -6.885 1.00 0.00 H -ATOM 479 HA3 GLY A 27 7.231 -6.508 -7.617 1.00 0.00 H -ATOM 480 N ARG A 28 10.446 -6.124 -8.244 1.00 0.00 N -ATOM 481 CA ARG A 28 11.405 -5.894 -9.367 1.00 0.00 C -ATOM 482 C ARG A 28 12.433 -7.027 -9.426 1.00 0.00 C -ATOM 483 O ARG A 28 13.039 -7.196 -10.471 1.00 0.00 O -ATOM 484 CB ARG A 28 12.088 -4.566 -9.041 1.00 0.00 C -ATOM 485 CG ARG A 28 11.119 -3.413 -9.309 1.00 0.00 C -ATOM 486 CD ARG A 28 11.109 -3.092 -10.805 1.00 0.00 C -ATOM 487 NE ARG A 28 12.112 -2.003 -10.970 1.00 0.00 N -ATOM 488 CZ ARG A 28 12.761 -1.879 -12.096 1.00 0.00 C -ATOM 489 NH1 ARG A 28 13.653 -2.770 -12.435 1.00 0.00 N -ATOM 490 NH2 ARG A 28 12.518 -0.866 -12.882 1.00 0.00 N -ATOM 491 OXT ARG A 28 12.595 -7.706 -8.425 1.00 0.00 O -ATOM 492 H ARG A 28 10.764 -6.094 -7.318 1.00 0.00 H -ATOM 493 HA ARG A 28 10.876 -5.816 -10.304 1.00 0.00 H -ATOM 494 HB2 ARG A 28 12.380 -4.558 -8.000 1.00 0.00 H -ATOM 495 HB3 ARG A 28 12.964 -4.449 -9.661 1.00 0.00 H -ATOM 496 HG2 ARG A 28 10.126 -3.698 -8.994 1.00 0.00 H -ATOM 497 HG3 ARG A 28 11.435 -2.540 -8.757 1.00 0.00 H -ATOM 498 HD2 ARG A 28 11.397 -3.963 -11.377 1.00 0.00 H -ATOM 499 HD3 ARG A 28 10.134 -2.746 -11.109 1.00 0.00 H -ATOM 500 HE ARG A 28 12.284 -1.380 -10.234 1.00 0.00 H -ATOM 501 HH11 ARG A 28 13.838 -3.547 -11.834 1.00 0.00 H -ATOM 502 HH12 ARG A 28 14.151 -2.674 -13.297 1.00 0.00 H -ATOM 503 HH21 ARG A 28 11.834 -0.184 -12.621 1.00 0.00 H -ATOM 504 HH22 ARG A 28 13.016 -0.770 -13.743 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 33 -ATOM 1 N GLU A 1 -16.546 8.098 -4.037 1.00 0.00 N -ATOM 2 CA GLU A 1 -15.824 6.806 -4.226 1.00 0.00 C -ATOM 3 C GLU A 1 -14.320 7.056 -4.357 1.00 0.00 C -ATOM 4 O GLU A 1 -13.782 7.098 -5.448 1.00 0.00 O -ATOM 5 CB GLU A 1 -16.388 6.222 -5.522 1.00 0.00 C -ATOM 6 CG GLU A 1 -17.603 5.349 -5.202 1.00 0.00 C -ATOM 7 CD GLU A 1 -17.787 4.307 -6.308 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -17.136 3.278 -6.238 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -18.577 4.556 -7.203 1.00 0.00 O -ATOM 10 H1 GLU A 1 -16.250 8.533 -3.141 1.00 0.00 H -ATOM 11 H2 GLU A 1 -17.571 7.921 -4.016 1.00 0.00 H -ATOM 12 H3 GLU A 1 -16.319 8.739 -4.823 1.00 0.00 H -ATOM 13 HA GLU A 1 -16.025 6.139 -3.402 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -16.684 7.027 -6.180 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -15.632 5.621 -6.004 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -17.448 4.849 -4.257 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -18.485 5.968 -5.142 1.00 0.00 H -ATOM 18 N GLN A 2 -13.639 7.223 -3.252 1.00 0.00 N -ATOM 19 CA GLN A 2 -12.168 7.472 -3.300 1.00 0.00 C -ATOM 20 C GLN A 2 -11.408 6.245 -2.788 1.00 0.00 C -ATOM 21 O GLN A 2 -12.004 5.258 -2.407 1.00 0.00 O -ATOM 22 CB GLN A 2 -11.940 8.671 -2.374 1.00 0.00 C -ATOM 23 CG GLN A 2 -10.680 9.430 -2.809 1.00 0.00 C -ATOM 24 CD GLN A 2 -10.920 10.937 -2.685 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -11.863 11.463 -3.244 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -10.100 11.659 -1.971 1.00 0.00 N -ATOM 27 H GLN A 2 -14.099 7.184 -2.387 1.00 0.00 H -ATOM 28 HA GLN A 2 -11.859 7.717 -4.304 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -12.795 9.329 -2.424 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -11.814 8.322 -1.360 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -9.851 9.145 -2.175 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -10.448 9.189 -3.836 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -9.340 11.235 -1.521 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -10.245 12.624 -1.885 1.00 0.00 H -ATOM 35 N TYR A 3 -10.095 6.336 -2.743 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.217 5.234 -2.232 1.00 0.00 C -ATOM 37 C TYR A 3 -9.768 3.813 -2.448 1.00 0.00 C -ATOM 38 O TYR A 3 -10.507 3.563 -3.379 1.00 0.00 O -ATOM 39 CB TYR A 3 -9.061 5.587 -0.755 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.683 6.145 -0.565 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.579 5.289 -0.460 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -7.511 7.526 -0.538 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.297 5.830 -0.324 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -6.240 8.067 -0.401 1.00 0.00 C -ATOM 45 CZ TYR A 3 -5.126 7.222 -0.294 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.862 7.761 -0.160 1.00 0.00 O -ATOM 47 H TYR A 3 -9.665 7.172 -3.012 1.00 0.00 H -ATOM 48 HA TYR A 3 -8.255 5.296 -2.711 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -9.790 6.343 -0.495 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -9.198 4.721 -0.135 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.719 4.211 -0.489 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -8.369 8.177 -0.621 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.442 5.177 -0.244 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -6.119 9.134 -0.389 1.00 0.00 H -ATOM 55 HH TYR A 3 -3.845 8.283 0.645 1.00 0.00 H -ATOM 56 N THR A 4 -9.323 2.886 -1.610 1.00 0.00 N -ATOM 57 CA THR A 4 -9.681 1.416 -1.682 1.00 0.00 C -ATOM 58 C THR A 4 -8.595 0.710 -2.490 1.00 0.00 C -ATOM 59 O THR A 4 -8.848 -0.235 -3.211 1.00 0.00 O -ATOM 60 CB THR A 4 -11.064 1.247 -2.343 1.00 0.00 C -ATOM 61 OG1 THR A 4 -11.957 2.225 -1.830 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.608 -0.150 -2.040 1.00 0.00 C -ATOM 63 H THR A 4 -8.679 3.158 -0.930 1.00 0.00 H -ATOM 64 HA THR A 4 -9.705 1.007 -0.682 1.00 0.00 H -ATOM 65 HB THR A 4 -10.970 1.368 -3.411 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.144 2.852 -2.533 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.153 -0.527 -1.136 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.379 -0.812 -2.861 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.679 -0.099 -1.909 1.00 0.00 H -ATOM 70 N ALA A 5 -7.380 1.186 -2.366 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.244 0.583 -3.110 1.00 0.00 C -ATOM 72 C ALA A 5 -5.878 -0.772 -2.525 1.00 0.00 C -ATOM 73 O ALA A 5 -5.500 -0.869 -1.382 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.077 1.547 -2.920 1.00 0.00 C -ATOM 75 H ALA A 5 -7.216 1.950 -1.784 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.485 0.501 -4.151 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.450 2.503 -2.572 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.567 1.675 -3.861 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.389 1.139 -2.188 1.00 0.00 H -ATOM 80 N LYS A 6 -5.957 -1.800 -3.312 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.586 -3.161 -2.816 1.00 0.00 C -ATOM 82 C LYS A 6 -4.383 -3.684 -3.597 1.00 0.00 C -ATOM 83 O LYS A 6 -4.246 -3.438 -4.781 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.811 -4.050 -3.044 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.238 -3.986 -4.511 1.00 0.00 C -ATOM 86 CD LYS A 6 -8.286 -5.070 -4.797 1.00 0.00 C -ATOM 87 CE LYS A 6 -7.976 -5.749 -6.135 1.00 0.00 C -ATOM 88 NZ LYS A 6 -9.297 -5.896 -6.808 1.00 0.00 N -ATOM 89 H LYS A 6 -6.235 -1.674 -4.240 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.354 -3.120 -1.762 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.561 -5.070 -2.786 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.623 -3.710 -2.419 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.661 -3.013 -4.711 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.376 -4.140 -5.140 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -8.269 -5.808 -4.007 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -9.266 -4.618 -4.843 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -7.316 -5.130 -6.727 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -7.537 -6.721 -5.970 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -9.981 -6.314 -6.146 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -9.195 -6.514 -7.638 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -9.638 -4.961 -7.110 1.00 0.00 H -ATOM 102 N TYR A 7 -3.506 -4.384 -2.934 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.291 -4.914 -3.616 1.00 0.00 C -ATOM 104 C TYR A 7 -2.200 -6.430 -3.434 1.00 0.00 C -ATOM 105 O TYR A 7 -2.352 -7.187 -4.374 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.131 -4.201 -2.928 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.125 -2.766 -3.378 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.110 -1.888 -2.916 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.146 -2.318 -4.263 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.118 -0.558 -3.341 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.143 -0.988 -4.687 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.131 -0.103 -4.228 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.133 1.210 -4.651 1.00 0.00 O -ATOM 114 H TYR A 7 -3.642 -4.554 -1.978 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.305 -4.654 -4.662 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.258 -4.243 -1.856 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.197 -4.668 -3.205 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.865 -2.243 -2.230 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.610 -3.001 -4.617 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -2.879 0.122 -2.972 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.629 -0.643 -5.362 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.647 1.259 -5.461 1.00 0.00 H -ATOM 123 N LYS A 8 -1.965 -6.876 -2.227 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.878 -8.343 -1.965 1.00 0.00 C -ATOM 125 C LYS A 8 -2.941 -8.740 -0.940 1.00 0.00 C -ATOM 126 O LYS A 8 -2.655 -9.393 0.047 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.473 -8.567 -1.401 1.00 0.00 C -ATOM 128 CG LYS A 8 0.053 -9.925 -1.868 1.00 0.00 C -ATOM 129 CD LYS A 8 0.547 -9.814 -3.313 1.00 0.00 C -ATOM 130 CE LYS A 8 1.751 -10.737 -3.515 1.00 0.00 C -ATOM 131 NZ LYS A 8 1.185 -11.984 -4.101 1.00 0.00 N -ATOM 132 H LYS A 8 -1.857 -6.242 -1.487 1.00 0.00 H -ATOM 133 HA LYS A 8 -2.005 -8.900 -2.879 1.00 0.00 H -ATOM 134 HB2 LYS A 8 0.184 -7.785 -1.754 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.510 -8.548 -0.323 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.869 -10.233 -1.231 1.00 0.00 H -ATOM 137 HG3 LYS A 8 -0.740 -10.657 -1.816 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -0.247 -10.102 -3.987 1.00 0.00 H -ATOM 139 HD3 LYS A 8 0.839 -8.795 -3.516 1.00 0.00 H -ATOM 140 HE2 LYS A 8 2.458 -10.285 -4.196 1.00 0.00 H -ATOM 141 HE3 LYS A 8 2.223 -10.953 -2.569 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 0.371 -12.296 -3.531 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 1.912 -12.727 -4.103 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 0.876 -11.801 -5.076 1.00 0.00 H -ATOM 145 N GLY A 9 -4.165 -8.335 -1.164 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.259 -8.664 -0.206 1.00 0.00 C -ATOM 147 C GLY A 9 -5.212 -7.678 0.962 1.00 0.00 C -ATOM 148 O GLY A 9 -5.555 -8.009 2.081 1.00 0.00 O -ATOM 149 H GLY A 9 -4.362 -7.801 -1.962 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.213 -8.591 -0.708 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.123 -9.668 0.168 1.00 0.00 H -ATOM 152 N ARG A 10 -4.781 -6.466 0.705 1.00 0.00 N -ATOM 153 CA ARG A 10 -4.696 -5.446 1.795 1.00 0.00 C -ATOM 154 C ARG A 10 -5.061 -4.064 1.253 1.00 0.00 C -ATOM 155 O ARG A 10 -4.252 -3.420 0.609 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.229 -5.447 2.240 1.00 0.00 C -ATOM 157 CG ARG A 10 -2.809 -6.856 2.672 1.00 0.00 C -ATOM 158 CD ARG A 10 -1.363 -6.827 3.173 1.00 0.00 C -ATOM 159 NE ARG A 10 -0.864 -8.215 2.992 1.00 0.00 N -ATOM 160 CZ ARG A 10 -0.124 -8.769 3.914 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.684 -9.416 4.899 1.00 0.00 N -ATOM 162 NH2 ARG A 10 1.176 -8.675 3.849 1.00 0.00 N -ATOM 163 H ARG A 10 -4.507 -6.229 -0.205 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.336 -5.714 2.621 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -2.605 -5.118 1.417 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.108 -4.768 3.071 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -3.459 -7.198 3.464 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -2.882 -7.528 1.830 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -0.776 -6.138 2.580 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.329 -6.554 4.215 1.00 0.00 H -ATOM 171 HE ARG A 10 -1.089 -8.713 2.181 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -1.681 -9.485 4.948 1.00 0.00 H -ATOM 173 HH12 ARG A 10 -0.117 -9.839 5.606 1.00 0.00 H -ATOM 174 HH21 ARG A 10 1.605 -8.179 3.094 1.00 0.00 H -ATOM 175 HH22 ARG A 10 1.744 -9.100 4.555 1.00 0.00 H -ATOM 176 N THR A 11 -6.257 -3.592 1.513 1.00 0.00 N -ATOM 177 CA THR A 11 -6.632 -2.239 1.009 1.00 0.00 C -ATOM 178 C THR A 11 -5.785 -1.183 1.730 1.00 0.00 C -ATOM 179 O THR A 11 -5.406 -1.366 2.873 1.00 0.00 O -ATOM 180 CB THR A 11 -8.115 -2.046 1.344 1.00 0.00 C -ATOM 181 OG1 THR A 11 -8.877 -3.067 0.716 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.577 -0.670 0.836 1.00 0.00 C -ATOM 183 H THR A 11 -6.893 -4.119 2.041 1.00 0.00 H -ATOM 184 HA THR A 11 -6.488 -2.190 -0.057 1.00 0.00 H -ATOM 185 HB THR A 11 -8.254 -2.096 2.411 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.711 -3.145 1.185 1.00 0.00 H -ATOM 187 HG21 THR A 11 -8.989 -0.103 1.658 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.333 -0.802 0.077 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.736 -0.129 0.416 1.00 0.00 H -ATOM 190 N PHE A 12 -5.482 -0.087 1.079 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.657 0.967 1.739 1.00 0.00 C -ATOM 192 C PHE A 12 -5.475 2.236 1.964 1.00 0.00 C -ATOM 193 O PHE A 12 -5.713 3.002 1.054 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.500 1.224 0.776 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.501 0.119 0.944 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -2.664 -1.057 0.211 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.419 0.263 1.823 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -1.746 -2.104 0.353 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.495 -0.782 1.962 1.00 0.00 C -ATOM 200 CZ PHE A 12 -0.662 -1.966 1.228 1.00 0.00 C -ATOM 201 H PHE A 12 -5.794 0.039 0.159 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.272 0.603 2.679 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.862 1.228 -0.249 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -3.035 2.171 1.006 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.507 -1.153 -0.467 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.301 1.177 2.399 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -1.876 -3.021 -0.208 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.344 -0.677 2.633 1.00 0.00 H -ATOM 209 HZ PHE A 12 0.049 -2.771 1.334 1.00 0.00 H -ATOM 210 N ARG A 13 -5.900 2.460 3.182 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.702 3.681 3.489 1.00 0.00 C -ATOM 212 C ARG A 13 -5.789 4.828 3.943 1.00 0.00 C -ATOM 213 O ARG A 13 -6.246 5.797 4.520 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.633 3.260 4.626 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.913 4.094 4.577 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.959 3.474 5.507 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.715 2.519 4.651 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.878 2.857 4.165 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.861 3.153 4.970 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -12.057 2.900 2.873 1.00 0.00 N -ATOM 221 H ARG A 13 -5.686 1.825 3.897 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.282 3.976 2.630 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.879 2.213 4.519 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -7.139 3.418 5.573 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -8.699 5.103 4.897 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -9.295 4.108 3.567 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -9.473 2.951 6.319 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -10.622 4.234 5.888 1.00 0.00 H -ATOM 229 HE ARG A 13 -10.340 1.635 4.452 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -12.723 3.121 5.960 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -13.751 3.413 4.598 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -11.302 2.674 2.255 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -12.948 3.158 2.500 1.00 0.00 H -ATOM 234 N ASN A 14 -4.506 4.730 3.683 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.569 5.816 4.097 1.00 0.00 C -ATOM 236 C ASN A 14 -2.375 5.863 3.140 1.00 0.00 C -ATOM 237 O ASN A 14 -1.684 4.879 2.948 1.00 0.00 O -ATOM 238 CB ASN A 14 -3.117 5.438 5.514 1.00 0.00 C -ATOM 239 CG ASN A 14 -3.273 6.644 6.444 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -4.290 6.798 7.092 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -2.302 7.510 6.538 1.00 0.00 N -ATOM 242 H ASN A 14 -4.157 3.945 3.214 1.00 0.00 H -ATOM 243 HA ASN A 14 -4.078 6.767 4.109 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.723 4.621 5.879 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.081 5.136 5.494 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -1.483 7.385 6.015 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -2.393 8.285 7.130 1.00 0.00 H -ATOM 248 N GLU A 15 -2.134 6.997 2.536 1.00 0.00 N -ATOM 249 CA GLU A 15 -0.988 7.118 1.582 1.00 0.00 C -ATOM 250 C GLU A 15 0.335 6.800 2.287 1.00 0.00 C -ATOM 251 O GLU A 15 1.256 6.277 1.688 1.00 0.00 O -ATOM 252 CB GLU A 15 -1.014 8.576 1.109 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.720 8.641 -0.394 1.00 0.00 C -ATOM 254 CD GLU A 15 0.735 9.053 -0.621 1.00 0.00 C -ATOM 255 OE1 GLU A 15 1.117 10.105 -0.135 1.00 0.00 O -ATOM 256 OE2 GLU A 15 1.443 8.309 -1.279 1.00 0.00 O -ATOM 257 H GLU A 15 -2.712 7.771 2.709 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.131 6.457 0.740 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -1.993 8.995 1.302 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.270 9.142 1.648 1.00 0.00 H -ATOM 261 HG2 GLU A 15 -0.894 7.673 -0.839 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -1.372 9.369 -0.854 1.00 0.00 H -ATOM 263 N LYS A 16 0.435 7.116 3.556 1.00 0.00 N -ATOM 264 CA LYS A 16 1.696 6.839 4.304 1.00 0.00 C -ATOM 265 C LYS A 16 1.974 5.338 4.352 1.00 0.00 C -ATOM 266 O LYS A 16 3.094 4.894 4.190 1.00 0.00 O -ATOM 267 CB LYS A 16 1.464 7.383 5.715 1.00 0.00 C -ATOM 268 CG LYS A 16 2.805 7.495 6.444 1.00 0.00 C -ATOM 269 CD LYS A 16 2.566 7.547 7.954 1.00 0.00 C -ATOM 270 CE LYS A 16 3.708 6.830 8.678 1.00 0.00 C -ATOM 271 NZ LYS A 16 3.235 5.427 8.844 1.00 0.00 N -ATOM 272 H LYS A 16 -0.316 7.539 4.011 1.00 0.00 H -ATOM 273 HA LYS A 16 2.508 7.350 3.847 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.003 8.359 5.653 1.00 0.00 H -ATOM 275 HB3 LYS A 16 0.815 6.711 6.257 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.416 6.636 6.204 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.311 8.395 6.131 1.00 0.00 H -ATOM 278 HD2 LYS A 16 2.525 8.578 8.277 1.00 0.00 H -ATOM 279 HD3 LYS A 16 1.631 7.060 8.189 1.00 0.00 H -ATOM 280 HE2 LYS A 16 4.607 6.859 8.079 1.00 0.00 H -ATOM 281 HE3 LYS A 16 3.882 7.277 9.644 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 3.992 4.854 9.267 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 2.984 5.033 7.916 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 2.400 5.414 9.465 1.00 0.00 H -ATOM 285 N GLU A 17 0.954 4.565 4.574 1.00 0.00 N -ATOM 286 CA GLU A 17 1.124 3.079 4.639 1.00 0.00 C -ATOM 287 C GLU A 17 1.554 2.541 3.281 1.00 0.00 C -ATOM 288 O GLU A 17 2.593 1.926 3.137 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.259 2.517 4.974 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.741 3.052 6.317 1.00 0.00 C -ATOM 291 CD GLU A 17 0.044 2.388 7.449 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.045 1.169 7.508 1.00 0.00 O -ATOM 293 OE2 GLU A 17 0.633 3.110 8.238 1.00 0.00 O -ATOM 294 H GLU A 17 0.074 4.967 4.695 1.00 0.00 H -ATOM 295 HA GLU A 17 1.834 2.806 5.402 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -0.958 2.807 4.205 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.205 1.440 5.019 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.596 4.120 6.353 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.790 2.824 6.426 1.00 0.00 H -ATOM 300 N LEU A 18 0.730 2.748 2.291 1.00 0.00 N -ATOM 301 CA LEU A 18 1.029 2.236 0.924 1.00 0.00 C -ATOM 302 C LEU A 18 2.423 2.653 0.451 1.00 0.00 C -ATOM 303 O LEU A 18 3.186 1.832 -0.009 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.053 2.838 0.026 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.004 2.172 -1.347 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -0.466 0.715 -1.233 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -0.926 2.924 -2.310 1.00 0.00 C -ATOM 308 H LEU A 18 -0.108 3.226 2.457 1.00 0.00 H -ATOM 309 HA LEU A 18 0.952 1.166 0.917 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -1.023 2.675 0.473 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.119 3.898 -0.084 1.00 0.00 H -ATOM 312 HG LEU A 18 1.005 2.200 -1.720 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -0.144 0.299 -0.297 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.044 0.140 -2.040 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -1.543 0.677 -1.289 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -1.900 2.456 -2.317 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -0.506 2.896 -3.304 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.022 3.951 -1.989 1.00 0.00 H -ATOM 319 N ARG A 19 2.775 3.913 0.560 1.00 0.00 N -ATOM 320 CA ARG A 19 4.139 4.341 0.105 1.00 0.00 C -ATOM 321 C ARG A 19 5.210 3.481 0.793 1.00 0.00 C -ATOM 322 O ARG A 19 6.229 3.160 0.213 1.00 0.00 O -ATOM 323 CB ARG A 19 4.270 5.807 0.514 1.00 0.00 C -ATOM 324 CG ARG A 19 3.494 6.682 -0.471 1.00 0.00 C -ATOM 325 CD ARG A 19 4.425 7.127 -1.602 1.00 0.00 C -ATOM 326 NE ARG A 19 3.949 8.486 -1.980 1.00 0.00 N -ATOM 327 CZ ARG A 19 4.606 9.542 -1.586 1.00 0.00 C -ATOM 328 NH1 ARG A 19 5.891 9.629 -1.802 1.00 0.00 N -ATOM 329 NH2 ARG A 19 3.980 10.510 -0.976 1.00 0.00 N -ATOM 330 H ARG A 19 2.151 4.568 0.937 1.00 0.00 H -ATOM 331 HA ARG A 19 4.216 4.243 -0.970 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.873 5.941 1.509 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.310 6.089 0.499 1.00 0.00 H -ATOM 334 HG2 ARG A 19 2.671 6.114 -0.883 1.00 0.00 H -ATOM 335 HG3 ARG A 19 3.112 7.550 0.042 1.00 0.00 H -ATOM 336 HD2 ARG A 19 5.447 7.168 -1.250 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.342 6.458 -2.444 1.00 0.00 H -ATOM 338 HE ARG A 19 3.140 8.587 -2.526 1.00 0.00 H -ATOM 339 HH11 ARG A 19 6.371 8.886 -2.268 1.00 0.00 H -ATOM 340 HH12 ARG A 19 6.394 10.438 -1.499 1.00 0.00 H -ATOM 341 HH21 ARG A 19 2.995 10.443 -0.811 1.00 0.00 H -ATOM 342 HH22 ARG A 19 4.483 11.319 -0.674 1.00 0.00 H -ATOM 343 N ASP A 20 4.953 3.072 2.012 1.00 0.00 N -ATOM 344 CA ASP A 20 5.921 2.189 2.728 1.00 0.00 C -ATOM 345 C ASP A 20 5.817 0.793 2.114 1.00 0.00 C -ATOM 346 O ASP A 20 6.802 0.134 1.845 1.00 0.00 O -ATOM 347 CB ASP A 20 5.462 2.180 4.190 1.00 0.00 C -ATOM 348 CG ASP A 20 6.676 2.328 5.110 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.400 3.297 4.953 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.861 1.469 5.956 1.00 0.00 O -ATOM 351 H ASP A 20 4.107 3.318 2.442 1.00 0.00 H -ATOM 352 HA ASP A 20 6.927 2.572 2.644 1.00 0.00 H -ATOM 353 HB2 ASP A 20 4.781 3.003 4.356 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.959 1.249 4.407 1.00 0.00 H -ATOM 355 N PHE A 21 4.607 0.366 1.858 1.00 0.00 N -ATOM 356 CA PHE A 21 4.378 -0.965 1.217 1.00 0.00 C -ATOM 357 C PHE A 21 5.029 -0.974 -0.171 1.00 0.00 C -ATOM 358 O PHE A 21 5.914 -1.751 -0.470 1.00 0.00 O -ATOM 359 CB PHE A 21 2.856 -1.059 1.055 1.00 0.00 C -ATOM 360 CG PHE A 21 2.530 -2.273 0.230 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.549 -3.520 0.837 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.242 -2.146 -1.136 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.267 -4.668 0.088 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.960 -3.292 -1.890 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.971 -4.554 -1.277 1.00 0.00 C -ATOM 366 H PHE A 21 3.842 0.944 2.065 1.00 0.00 H -ATOM 367 HA PHE A 21 4.734 -1.781 1.832 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.398 -1.143 2.022 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.480 -0.180 0.562 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.794 -3.593 1.888 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.240 -1.162 -1.610 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.275 -5.639 0.560 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.740 -3.206 -2.941 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.754 -5.438 -1.859 1.00 0.00 H -ATOM 375 N ILE A 22 4.548 -0.100 -1.010 1.00 0.00 N -ATOM 376 CA ILE A 22 5.050 0.019 -2.418 1.00 0.00 C -ATOM 377 C ILE A 22 6.586 0.031 -2.432 1.00 0.00 C -ATOM 378 O ILE A 22 7.216 -0.421 -3.369 1.00 0.00 O -ATOM 379 CB ILE A 22 4.496 1.365 -2.904 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.956 1.310 -2.934 1.00 0.00 C -ATOM 381 CG2 ILE A 22 5.025 1.673 -4.308 1.00 0.00 C -ATOM 382 CD1 ILE A 22 2.467 0.300 -3.969 1.00 0.00 C -ATOM 383 H ILE A 22 3.834 0.489 -0.702 1.00 0.00 H -ATOM 384 HA ILE A 22 4.657 -0.783 -3.034 1.00 0.00 H -ATOM 385 HB ILE A 22 4.813 2.145 -2.227 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.582 1.012 -1.967 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.569 2.285 -3.181 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.683 2.649 -4.615 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.655 0.927 -4.994 1.00 0.00 H -ATOM 390 HG23 ILE A 22 6.104 1.652 -4.299 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.958 -0.505 -3.468 1.00 0.00 H -ATOM 392 HD12 ILE A 22 3.309 -0.093 -4.520 1.00 0.00 H -ATOM 393 HD13 ILE A 22 1.791 0.792 -4.649 1.00 0.00 H -ATOM 394 N GLU A 23 7.174 0.547 -1.386 1.00 0.00 N -ATOM 395 CA GLU A 23 8.666 0.600 -1.309 1.00 0.00 C -ATOM 396 C GLU A 23 9.229 -0.811 -1.114 1.00 0.00 C -ATOM 397 O GLU A 23 10.278 -1.145 -1.631 1.00 0.00 O -ATOM 398 CB GLU A 23 8.977 1.476 -0.094 1.00 0.00 C -ATOM 399 CG GLU A 23 9.206 2.918 -0.553 1.00 0.00 C -ATOM 400 CD GLU A 23 9.597 3.781 0.647 1.00 0.00 C -ATOM 401 OE1 GLU A 23 8.943 3.670 1.671 1.00 0.00 O -ATOM 402 OE2 GLU A 23 10.544 4.541 0.522 1.00 0.00 O -ATOM 403 H GLU A 23 6.628 0.900 -0.649 1.00 0.00 H -ATOM 404 HA GLU A 23 9.073 1.047 -2.202 1.00 0.00 H -ATOM 405 HB2 GLU A 23 8.146 1.445 0.596 1.00 0.00 H -ATOM 406 HB3 GLU A 23 9.867 1.111 0.396 1.00 0.00 H -ATOM 407 HG2 GLU A 23 9.999 2.939 -1.287 1.00 0.00 H -ATOM 408 HG3 GLU A 23 8.299 3.305 -0.992 1.00 0.00 H -ATOM 409 N LYS A 24 8.532 -1.642 -0.380 1.00 0.00 N -ATOM 410 CA LYS A 24 9.015 -3.036 -0.157 1.00 0.00 C -ATOM 411 C LYS A 24 8.654 -3.904 -1.363 1.00 0.00 C -ATOM 412 O LYS A 24 9.518 -4.426 -2.043 1.00 0.00 O -ATOM 413 CB LYS A 24 8.280 -3.520 1.095 1.00 0.00 C -ATOM 414 CG LYS A 24 9.219 -4.388 1.935 1.00 0.00 C -ATOM 415 CD LYS A 24 9.894 -3.528 3.004 1.00 0.00 C -ATOM 416 CE LYS A 24 10.890 -4.379 3.794 1.00 0.00 C -ATOM 417 NZ LYS A 24 12.016 -3.457 4.113 1.00 0.00 N -ATOM 418 H LYS A 24 7.685 -1.348 0.019 1.00 0.00 H -ATOM 419 HA LYS A 24 10.080 -3.045 0.012 1.00 0.00 H -ATOM 420 HB2 LYS A 24 7.960 -2.667 1.676 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.419 -4.101 0.803 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.651 -5.174 2.411 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.973 -4.825 1.298 1.00 0.00 H -ATOM 424 HD2 LYS A 24 10.416 -2.708 2.529 1.00 0.00 H -ATOM 425 HD3 LYS A 24 9.146 -3.136 3.675 1.00 0.00 H -ATOM 426 HE2 LYS A 24 10.432 -4.746 4.702 1.00 0.00 H -ATOM 427 HE3 LYS A 24 11.245 -5.201 3.191 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 11.679 -2.713 4.757 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 12.369 -3.026 3.236 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 12.783 -3.991 4.568 1.00 0.00 H -ATOM 431 N PHE A 25 7.383 -4.056 -1.633 1.00 0.00 N -ATOM 432 CA PHE A 25 6.951 -4.880 -2.792 1.00 0.00 C -ATOM 433 C PHE A 25 7.010 -4.050 -4.080 1.00 0.00 C -ATOM 434 O PHE A 25 6.021 -3.892 -4.773 1.00 0.00 O -ATOM 435 CB PHE A 25 5.512 -5.293 -2.481 1.00 0.00 C -ATOM 436 CG PHE A 25 5.019 -6.228 -3.556 1.00 0.00 C -ATOM 437 CD1 PHE A 25 5.709 -7.416 -3.819 1.00 0.00 C -ATOM 438 CD2 PHE A 25 3.874 -5.904 -4.290 1.00 0.00 C -ATOM 439 CE1 PHE A 25 5.250 -8.284 -4.819 1.00 0.00 C -ATOM 440 CE2 PHE A 25 3.415 -6.770 -5.290 1.00 0.00 C -ATOM 441 CZ PHE A 25 4.103 -7.961 -5.553 1.00 0.00 C -ATOM 442 H PHE A 25 6.713 -3.628 -1.074 1.00 0.00 H -ATOM 443 HA PHE A 25 7.572 -5.747 -2.872 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.479 -5.794 -1.524 1.00 0.00 H -ATOM 445 HB3 PHE A 25 4.882 -4.416 -2.453 1.00 0.00 H -ATOM 446 HD1 PHE A 25 6.593 -7.663 -3.253 1.00 0.00 H -ATOM 447 HD2 PHE A 25 3.345 -4.983 -4.084 1.00 0.00 H -ATOM 448 HE1 PHE A 25 5.782 -9.202 -5.021 1.00 0.00 H -ATOM 449 HE2 PHE A 25 2.530 -6.521 -5.857 1.00 0.00 H -ATOM 450 HZ PHE A 25 3.749 -8.630 -6.324 1.00 0.00 H -ATOM 451 N LYS A 26 8.162 -3.521 -4.402 1.00 0.00 N -ATOM 452 CA LYS A 26 8.295 -2.697 -5.645 1.00 0.00 C -ATOM 453 C LYS A 26 8.005 -3.541 -6.888 1.00 0.00 C -ATOM 454 O LYS A 26 7.684 -3.022 -7.940 1.00 0.00 O -ATOM 455 CB LYS A 26 9.746 -2.213 -5.654 1.00 0.00 C -ATOM 456 CG LYS A 26 9.818 -0.795 -5.082 1.00 0.00 C -ATOM 457 CD LYS A 26 11.097 -0.112 -5.570 1.00 0.00 C -ATOM 458 CE LYS A 26 10.862 1.397 -5.679 1.00 0.00 C -ATOM 459 NZ LYS A 26 11.172 1.932 -4.323 1.00 0.00 N -ATOM 460 H LYS A 26 8.940 -3.667 -3.825 1.00 0.00 H -ATOM 461 HA LYS A 26 7.627 -1.860 -5.606 1.00 0.00 H -ATOM 462 HB2 LYS A 26 10.348 -2.876 -5.050 1.00 0.00 H -ATOM 463 HB3 LYS A 26 10.118 -2.211 -6.667 1.00 0.00 H -ATOM 464 HG2 LYS A 26 8.958 -0.229 -5.414 1.00 0.00 H -ATOM 465 HG3 LYS A 26 9.825 -0.840 -4.005 1.00 0.00 H -ATOM 466 HD2 LYS A 26 11.897 -0.303 -4.869 1.00 0.00 H -ATOM 467 HD3 LYS A 26 11.367 -0.503 -6.540 1.00 0.00 H -ATOM 468 HE2 LYS A 26 11.526 1.828 -6.416 1.00 0.00 H -ATOM 469 HE3 LYS A 26 9.833 1.600 -5.931 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 12.115 1.604 -4.028 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 10.459 1.594 -3.646 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 11.157 2.971 -4.349 1.00 0.00 H -ATOM 473 N GLY A 27 8.122 -4.835 -6.772 1.00 0.00 N -ATOM 474 CA GLY A 27 7.861 -5.726 -7.939 1.00 0.00 C -ATOM 475 C GLY A 27 9.022 -5.624 -8.931 1.00 0.00 C -ATOM 476 O GLY A 27 8.853 -5.827 -10.118 1.00 0.00 O -ATOM 477 H GLY A 27 8.386 -5.220 -5.915 1.00 0.00 H -ATOM 478 HA2 GLY A 27 7.766 -6.748 -7.598 1.00 0.00 H -ATOM 479 HA3 GLY A 27 6.947 -5.422 -8.427 1.00 0.00 H -ATOM 480 N ARG A 28 10.204 -5.312 -8.452 1.00 0.00 N -ATOM 481 CA ARG A 28 11.396 -5.194 -9.355 1.00 0.00 C -ATOM 482 C ARG A 28 11.089 -4.289 -10.557 1.00 0.00 C -ATOM 483 O ARG A 28 11.885 -4.274 -11.481 1.00 0.00 O -ATOM 484 CB ARG A 28 11.685 -6.624 -9.817 1.00 0.00 C -ATOM 485 CG ARG A 28 12.821 -7.217 -8.979 1.00 0.00 C -ATOM 486 CD ARG A 28 12.775 -8.744 -9.063 1.00 0.00 C -ATOM 487 NE ARG A 28 13.646 -9.090 -10.221 1.00 0.00 N -ATOM 488 CZ ARG A 28 13.275 -10.016 -11.061 1.00 0.00 C -ATOM 489 NH1 ARG A 28 12.993 -11.214 -10.629 1.00 0.00 N -ATOM 490 NH2 ARG A 28 13.184 -9.744 -12.334 1.00 0.00 N -ATOM 491 OXT ARG A 28 10.064 -3.629 -10.528 1.00 0.00 O -ATOM 492 H ARG A 28 10.312 -5.158 -7.492 1.00 0.00 H -ATOM 493 HA ARG A 28 12.241 -4.809 -8.807 1.00 0.00 H -ATOM 494 HB2 ARG A 28 10.796 -7.224 -9.694 1.00 0.00 H -ATOM 495 HB3 ARG A 28 11.974 -6.615 -10.857 1.00 0.00 H -ATOM 496 HG2 ARG A 28 13.769 -6.862 -9.357 1.00 0.00 H -ATOM 497 HG3 ARG A 28 12.706 -6.911 -7.951 1.00 0.00 H -ATOM 498 HD2 ARG A 28 13.164 -9.181 -8.153 1.00 0.00 H -ATOM 499 HD3 ARG A 28 11.767 -9.082 -9.245 1.00 0.00 H -ATOM 500 HE ARG A 28 14.497 -8.622 -10.352 1.00 0.00 H -ATOM 501 HH11 ARG A 28 13.062 -11.424 -9.653 1.00 0.00 H -ATOM 502 HH12 ARG A 28 12.708 -11.925 -11.273 1.00 0.00 H -ATOM 503 HH21 ARG A 28 13.400 -8.825 -12.665 1.00 0.00 H -ATOM 504 HH22 ARG A 28 12.901 -10.454 -12.978 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MODEL 34 -ATOM 1 N GLU A 1 -16.129 8.064 -5.007 1.00 0.00 N -ATOM 2 CA GLU A 1 -15.495 6.988 -4.192 1.00 0.00 C -ATOM 3 C GLU A 1 -13.977 7.180 -4.149 1.00 0.00 C -ATOM 4 O GLU A 1 -13.291 6.985 -5.136 1.00 0.00 O -ATOM 5 CB GLU A 1 -15.852 5.686 -4.913 1.00 0.00 C -ATOM 6 CG GLU A 1 -15.827 4.527 -3.914 1.00 0.00 C -ATOM 7 CD GLU A 1 -16.828 3.456 -4.352 1.00 0.00 C -ATOM 8 OE1 GLU A 1 -17.977 3.549 -3.951 1.00 0.00 O -ATOM 9 OE2 GLU A 1 -16.430 2.563 -5.081 1.00 0.00 O -ATOM 10 H1 GLU A 1 -15.827 7.974 -5.997 1.00 0.00 H -ATOM 11 H2 GLU A 1 -15.838 8.993 -4.638 1.00 0.00 H -ATOM 12 H3 GLU A 1 -17.163 7.977 -4.953 1.00 0.00 H -ATOM 13 HA GLU A 1 -15.903 6.980 -3.194 1.00 0.00 H -ATOM 14 HB2 GLU A 1 -16.840 5.772 -5.341 1.00 0.00 H -ATOM 15 HB3 GLU A 1 -15.134 5.500 -5.696 1.00 0.00 H -ATOM 16 HG2 GLU A 1 -14.834 4.101 -3.883 1.00 0.00 H -ATOM 17 HG3 GLU A 1 -16.095 4.889 -2.934 1.00 0.00 H -ATOM 18 N GLN A 2 -13.452 7.561 -3.013 1.00 0.00 N -ATOM 19 CA GLN A 2 -11.979 7.770 -2.895 1.00 0.00 C -ATOM 20 C GLN A 2 -11.301 6.484 -2.412 1.00 0.00 C -ATOM 21 O GLN A 2 -11.959 5.510 -2.109 1.00 0.00 O -ATOM 22 CB GLN A 2 -11.818 8.884 -1.857 1.00 0.00 C -ATOM 23 CG GLN A 2 -10.468 9.587 -2.053 1.00 0.00 C -ATOM 24 CD GLN A 2 -10.644 11.099 -1.886 1.00 0.00 C -ATOM 25 OE1 GLN A 2 -10.535 11.844 -2.839 1.00 0.00 O -ATOM 26 NE2 GLN A 2 -10.913 11.587 -0.705 1.00 0.00 N -ATOM 27 H GLN A 2 -14.030 7.710 -2.236 1.00 0.00 H -ATOM 28 HA GLN A 2 -11.565 8.082 -3.840 1.00 0.00 H -ATOM 29 HB2 GLN A 2 -12.620 9.600 -1.976 1.00 0.00 H -ATOM 30 HB3 GLN A 2 -11.860 8.460 -0.866 1.00 0.00 H -ATOM 31 HG2 GLN A 2 -9.762 9.224 -1.317 1.00 0.00 H -ATOM 32 HG3 GLN A 2 -10.092 9.379 -3.044 1.00 0.00 H -ATOM 33 HE21 GLN A 2 -11.002 10.987 0.065 1.00 0.00 H -ATOM 34 HE22 GLN A 2 -11.026 12.553 -0.588 1.00 0.00 H -ATOM 35 N TYR A 3 -9.990 6.510 -2.304 1.00 0.00 N -ATOM 36 CA TYR A 3 -9.188 5.346 -1.810 1.00 0.00 C -ATOM 37 C TYR A 3 -9.791 3.960 -2.102 1.00 0.00 C -ATOM 38 O TYR A 3 -10.504 3.774 -3.069 1.00 0.00 O -ATOM 39 CB TYR A 3 -9.071 5.634 -0.315 1.00 0.00 C -ATOM 40 CG TYR A 3 -7.675 6.115 -0.057 1.00 0.00 C -ATOM 41 CD1 TYR A 3 -6.613 5.206 -0.033 1.00 0.00 C -ATOM 42 CD2 TYR A 3 -7.444 7.477 0.107 1.00 0.00 C -ATOM 43 CE1 TYR A 3 -5.311 5.670 0.162 1.00 0.00 C -ATOM 44 CE2 TYR A 3 -6.150 7.943 0.304 1.00 0.00 C -ATOM 45 CZ TYR A 3 -5.076 7.043 0.331 1.00 0.00 C -ATOM 46 OH TYR A 3 -3.791 7.506 0.525 1.00 0.00 O -ATOM 47 H TYR A 3 -9.511 7.339 -2.509 1.00 0.00 H -ATOM 48 HA TYR A 3 -8.207 5.382 -2.250 1.00 0.00 H -ATOM 49 HB2 TYR A 3 -9.772 6.415 -0.049 1.00 0.00 H -ATOM 50 HB3 TYR A 3 -9.272 4.752 0.264 1.00 0.00 H -ATOM 51 HD1 TYR A 3 -6.801 4.146 -0.171 1.00 0.00 H -ATOM 52 HD2 TYR A 3 -8.271 8.171 0.086 1.00 0.00 H -ATOM 53 HE1 TYR A 3 -4.488 4.974 0.179 1.00 0.00 H -ATOM 54 HE2 TYR A 3 -5.982 8.997 0.422 1.00 0.00 H -ATOM 55 HH TYR A 3 -3.334 6.884 1.095 1.00 0.00 H -ATOM 56 N THR A 4 -9.417 2.984 -1.288 1.00 0.00 N -ATOM 57 CA THR A 4 -9.837 1.539 -1.442 1.00 0.00 C -ATOM 58 C THR A 4 -8.816 0.850 -2.343 1.00 0.00 C -ATOM 59 O THR A 4 -9.134 -0.013 -3.138 1.00 0.00 O -ATOM 60 CB THR A 4 -11.253 1.476 -2.047 1.00 0.00 C -ATOM 61 OG1 THR A 4 -12.047 2.517 -1.497 1.00 0.00 O -ATOM 62 CG2 THR A 4 -11.887 0.121 -1.721 1.00 0.00 C -ATOM 63 H THR A 4 -8.787 3.197 -0.574 1.00 0.00 H -ATOM 64 HA THR A 4 -9.836 1.062 -0.472 1.00 0.00 H -ATOM 65 HB THR A 4 -11.194 1.593 -3.117 1.00 0.00 H -ATOM 66 HG1 THR A 4 -12.522 2.941 -2.217 1.00 0.00 H -ATOM 67 HG21 THR A 4 -11.405 -0.303 -0.850 1.00 0.00 H -ATOM 68 HG22 THR A 4 -11.764 -0.545 -2.560 1.00 0.00 H -ATOM 69 HG23 THR A 4 -12.940 0.256 -1.519 1.00 0.00 H -ATOM 70 N ALA A 5 -7.575 1.246 -2.206 1.00 0.00 N -ATOM 71 CA ALA A 5 -6.482 0.660 -3.022 1.00 0.00 C -ATOM 72 C ALA A 5 -6.110 -0.720 -2.504 1.00 0.00 C -ATOM 73 O ALA A 5 -5.896 -0.890 -1.333 1.00 0.00 O -ATOM 74 CB ALA A 5 -5.289 1.601 -2.819 1.00 0.00 C -ATOM 75 H ALA A 5 -7.363 1.944 -1.559 1.00 0.00 H -ATOM 76 HA ALA A 5 -6.758 0.629 -4.055 1.00 0.00 H -ATOM 77 HB1 ALA A 5 -5.628 2.524 -2.362 1.00 0.00 H -ATOM 78 HB2 ALA A 5 -4.833 1.815 -3.774 1.00 0.00 H -ATOM 79 HB3 ALA A 5 -4.561 1.122 -2.167 1.00 0.00 H -ATOM 80 N LYS A 6 -5.987 -1.689 -3.362 1.00 0.00 N -ATOM 81 CA LYS A 6 -5.574 -3.046 -2.897 1.00 0.00 C -ATOM 82 C LYS A 6 -4.320 -3.476 -3.649 1.00 0.00 C -ATOM 83 O LYS A 6 -4.176 -3.228 -4.832 1.00 0.00 O -ATOM 84 CB LYS A 6 -6.743 -3.985 -3.187 1.00 0.00 C -ATOM 85 CG LYS A 6 -7.194 -3.842 -4.640 1.00 0.00 C -ATOM 86 CD LYS A 6 -7.707 -5.189 -5.156 1.00 0.00 C -ATOM 87 CE LYS A 6 -6.548 -6.189 -5.233 1.00 0.00 C -ATOM 88 NZ LYS A 6 -6.221 -6.292 -6.683 1.00 0.00 N -ATOM 89 H LYS A 6 -6.133 -1.522 -4.314 1.00 0.00 H -ATOM 90 HA LYS A 6 -5.378 -3.025 -1.836 1.00 0.00 H -ATOM 91 HB2 LYS A 6 -6.428 -5.001 -3.005 1.00 0.00 H -ATOM 92 HB3 LYS A 6 -7.563 -3.739 -2.532 1.00 0.00 H -ATOM 93 HG2 LYS A 6 -7.985 -3.108 -4.693 1.00 0.00 H -ATOM 94 HG3 LYS A 6 -6.362 -3.518 -5.243 1.00 0.00 H -ATOM 95 HD2 LYS A 6 -8.464 -5.567 -4.483 1.00 0.00 H -ATOM 96 HD3 LYS A 6 -8.134 -5.059 -6.139 1.00 0.00 H -ATOM 97 HE2 LYS A 6 -5.696 -5.823 -4.677 1.00 0.00 H -ATOM 98 HE3 LYS A 6 -6.857 -7.152 -4.857 1.00 0.00 H -ATOM 99 HZ1 LYS A 6 -7.031 -6.696 -7.194 1.00 0.00 H -ATOM 100 HZ2 LYS A 6 -5.392 -6.906 -6.810 1.00 0.00 H -ATOM 101 HZ3 LYS A 6 -6.011 -5.343 -7.057 1.00 0.00 H -ATOM 102 N TYR A 7 -3.406 -4.099 -2.961 1.00 0.00 N -ATOM 103 CA TYR A 7 -2.137 -4.531 -3.613 1.00 0.00 C -ATOM 104 C TYR A 7 -1.917 -6.032 -3.414 1.00 0.00 C -ATOM 105 O TYR A 7 -1.595 -6.749 -4.343 1.00 0.00 O -ATOM 106 CB TYR A 7 -1.048 -3.715 -2.918 1.00 0.00 C -ATOM 107 CG TYR A 7 -1.098 -2.310 -3.427 1.00 0.00 C -ATOM 108 CD1 TYR A 7 -2.148 -1.474 -3.051 1.00 0.00 C -ATOM 109 CD2 TYR A 7 -0.088 -1.846 -4.263 1.00 0.00 C -ATOM 110 CE1 TYR A 7 -2.193 -0.161 -3.516 1.00 0.00 C -ATOM 111 CE2 TYR A 7 -0.122 -0.537 -4.732 1.00 0.00 C -ATOM 112 CZ TYR A 7 -1.176 0.314 -4.360 1.00 0.00 C -ATOM 113 OH TYR A 7 -1.212 1.614 -4.823 1.00 0.00 O -ATOM 114 H TYR A 7 -3.551 -4.272 -2.008 1.00 0.00 H -ATOM 115 HA TYR A 7 -2.156 -4.285 -4.663 1.00 0.00 H -ATOM 116 HB2 TYR A 7 -1.209 -3.705 -1.854 1.00 0.00 H -ATOM 117 HB3 TYR A 7 -0.084 -4.135 -3.136 1.00 0.00 H -ATOM 118 HD1 TYR A 7 -2.927 -1.844 -2.403 1.00 0.00 H -ATOM 119 HD2 TYR A 7 0.719 -2.504 -4.549 1.00 0.00 H -ATOM 120 HE1 TYR A 7 -3.005 0.490 -3.214 1.00 0.00 H -ATOM 121 HE2 TYR A 7 0.667 -0.182 -5.375 1.00 0.00 H -ATOM 122 HH TYR A 7 -1.561 1.601 -5.718 1.00 0.00 H -ATOM 123 N LYS A 8 -2.094 -6.510 -2.211 1.00 0.00 N -ATOM 124 CA LYS A 8 -1.904 -7.966 -1.938 1.00 0.00 C -ATOM 125 C LYS A 8 -3.011 -8.461 -1.002 1.00 0.00 C -ATOM 126 O LYS A 8 -2.752 -8.964 0.075 1.00 0.00 O -ATOM 127 CB LYS A 8 -0.526 -8.073 -1.270 1.00 0.00 C -ATOM 128 CG LYS A 8 0.322 -9.123 -1.995 1.00 0.00 C -ATOM 129 CD LYS A 8 -0.289 -10.515 -1.788 1.00 0.00 C -ATOM 130 CE LYS A 8 0.508 -11.279 -0.727 1.00 0.00 C -ATOM 131 NZ LYS A 8 0.361 -12.714 -1.096 1.00 0.00 N -ATOM 132 H LYS A 8 -2.357 -5.909 -1.483 1.00 0.00 H -ATOM 133 HA LYS A 8 -1.915 -8.524 -2.862 1.00 0.00 H -ATOM 134 HB2 LYS A 8 -0.027 -7.115 -1.318 1.00 0.00 H -ATOM 135 HB3 LYS A 8 -0.644 -8.362 -0.237 1.00 0.00 H -ATOM 136 HG2 LYS A 8 0.348 -8.895 -3.051 1.00 0.00 H -ATOM 137 HG3 LYS A 8 1.328 -9.109 -1.599 1.00 0.00 H -ATOM 138 HD2 LYS A 8 -1.315 -10.415 -1.465 1.00 0.00 H -ATOM 139 HD3 LYS A 8 -0.259 -11.061 -2.719 1.00 0.00 H -ATOM 140 HE2 LYS A 8 1.549 -10.985 -0.755 1.00 0.00 H -ATOM 141 HE3 LYS A 8 0.093 -11.105 0.253 1.00 0.00 H -ATOM 142 HZ1 LYS A 8 -0.644 -12.982 -1.058 1.00 0.00 H -ATOM 143 HZ2 LYS A 8 0.899 -13.302 -0.428 1.00 0.00 H -ATOM 144 HZ3 LYS A 8 0.723 -12.862 -2.060 1.00 0.00 H -ATOM 145 N GLY A 9 -4.247 -8.308 -1.407 1.00 0.00 N -ATOM 146 CA GLY A 9 -5.382 -8.752 -0.546 1.00 0.00 C -ATOM 147 C GLY A 9 -5.467 -7.835 0.676 1.00 0.00 C -ATOM 148 O GLY A 9 -5.865 -8.249 1.748 1.00 0.00 O -ATOM 149 H GLY A 9 -4.428 -7.892 -2.275 1.00 0.00 H -ATOM 150 HA2 GLY A 9 -6.304 -8.697 -1.107 1.00 0.00 H -ATOM 151 HA3 GLY A 9 -5.215 -9.767 -0.220 1.00 0.00 H -ATOM 152 N ARG A 10 -5.090 -6.591 0.517 1.00 0.00 N -ATOM 153 CA ARG A 10 -5.134 -5.632 1.661 1.00 0.00 C -ATOM 154 C ARG A 10 -5.464 -4.228 1.158 1.00 0.00 C -ATOM 155 O ARG A 10 -4.693 -3.635 0.427 1.00 0.00 O -ATOM 156 CB ARG A 10 -3.721 -5.646 2.247 1.00 0.00 C -ATOM 157 CG ARG A 10 -3.361 -7.059 2.715 1.00 0.00 C -ATOM 158 CD ARG A 10 -2.022 -7.024 3.456 1.00 0.00 C -ATOM 159 NE ARG A 10 -2.362 -6.616 4.844 1.00 0.00 N -ATOM 160 CZ ARG A 10 -1.575 -6.940 5.833 1.00 0.00 C -ATOM 161 NH1 ARG A 10 -0.395 -6.391 5.935 1.00 0.00 N -ATOM 162 NH2 ARG A 10 -1.967 -7.814 6.719 1.00 0.00 N -ATOM 163 H ARG A 10 -4.769 -6.288 -0.358 1.00 0.00 H -ATOM 164 HA ARG A 10 -5.849 -5.953 2.402 1.00 0.00 H -ATOM 165 HB2 ARG A 10 -3.016 -5.323 1.490 1.00 0.00 H -ATOM 166 HB3 ARG A 10 -3.675 -4.970 3.089 1.00 0.00 H -ATOM 167 HG2 ARG A 10 -4.131 -7.428 3.376 1.00 0.00 H -ATOM 168 HG3 ARG A 10 -3.278 -7.711 1.860 1.00 0.00 H -ATOM 169 HD2 ARG A 10 -1.564 -8.002 3.453 1.00 0.00 H -ATOM 170 HD3 ARG A 10 -1.366 -6.296 3.012 1.00 0.00 H -ATOM 171 HE ARG A 10 -3.172 -6.100 5.013 1.00 0.00 H -ATOM 172 HH11 ARG A 10 -0.095 -5.721 5.256 1.00 0.00 H -ATOM 173 HH12 ARG A 10 0.209 -6.641 6.692 1.00 0.00 H -ATOM 174 HH21 ARG A 10 -2.871 -8.235 6.641 1.00 0.00 H -ATOM 175 HH22 ARG A 10 -1.363 -8.064 7.478 1.00 0.00 H -ATOM 176 N THR A 11 -6.591 -3.682 1.548 1.00 0.00 N -ATOM 177 CA THR A 11 -6.934 -2.306 1.088 1.00 0.00 C -ATOM 178 C THR A 11 -6.011 -1.300 1.791 1.00 0.00 C -ATOM 179 O THR A 11 -5.709 -1.447 2.961 1.00 0.00 O -ATOM 180 CB THR A 11 -8.389 -2.067 1.499 1.00 0.00 C -ATOM 181 OG1 THR A 11 -9.214 -3.063 0.912 1.00 0.00 O -ATOM 182 CG2 THR A 11 -8.836 -0.679 1.019 1.00 0.00 C -ATOM 183 H THR A 11 -7.197 -4.169 2.144 1.00 0.00 H -ATOM 184 HA THR A 11 -6.838 -2.241 0.013 1.00 0.00 H -ATOM 185 HB THR A 11 -8.474 -2.115 2.572 1.00 0.00 H -ATOM 186 HG1 THR A 11 -9.106 -3.016 -0.040 1.00 0.00 H -ATOM 187 HG21 THR A 11 -9.296 -0.147 1.837 1.00 0.00 H -ATOM 188 HG22 THR A 11 -9.548 -0.790 0.215 1.00 0.00 H -ATOM 189 HG23 THR A 11 -7.978 -0.119 0.664 1.00 0.00 H -ATOM 190 N PHE A 12 -5.559 -0.287 1.095 1.00 0.00 N -ATOM 191 CA PHE A 12 -4.656 0.717 1.729 1.00 0.00 C -ATOM 192 C PHE A 12 -5.420 2.002 2.018 1.00 0.00 C -ATOM 193 O PHE A 12 -5.662 2.806 1.144 1.00 0.00 O -ATOM 194 CB PHE A 12 -3.532 0.945 0.716 1.00 0.00 C -ATOM 195 CG PHE A 12 -2.638 -0.257 0.756 1.00 0.00 C -ATOM 196 CD1 PHE A 12 -3.018 -1.400 0.066 1.00 0.00 C -ATOM 197 CD2 PHE A 12 -1.442 -0.229 1.480 1.00 0.00 C -ATOM 198 CE1 PHE A 12 -2.203 -2.538 0.096 1.00 0.00 C -ATOM 199 CE2 PHE A 12 -0.619 -1.361 1.510 1.00 0.00 C -ATOM 200 CZ PHE A 12 -1.003 -2.520 0.820 1.00 0.00 C -ATOM 201 H PHE A 12 -5.813 -0.191 0.153 1.00 0.00 H -ATOM 202 HA PHE A 12 -4.244 0.318 2.642 1.00 0.00 H -ATOM 203 HB2 PHE A 12 -3.943 1.055 -0.285 1.00 0.00 H -ATOM 204 HB3 PHE A 12 -2.969 1.825 0.983 1.00 0.00 H -ATOM 205 HD1 PHE A 12 -3.943 -1.396 -0.497 1.00 0.00 H -ATOM 206 HD2 PHE A 12 -1.162 0.665 2.022 1.00 0.00 H -ATOM 207 HE1 PHE A 12 -2.506 -3.433 -0.426 1.00 0.00 H -ATOM 208 HE2 PHE A 12 0.314 -1.340 2.056 1.00 0.00 H -ATOM 209 HZ PHE A 12 -0.370 -3.395 0.841 1.00 0.00 H -ATOM 210 N ARG A 13 -5.800 2.187 3.252 1.00 0.00 N -ATOM 211 CA ARG A 13 -6.561 3.412 3.638 1.00 0.00 C -ATOM 212 C ARG A 13 -5.621 4.441 4.269 1.00 0.00 C -ATOM 213 O ARG A 13 -6.030 5.253 5.077 1.00 0.00 O -ATOM 214 CB ARG A 13 -7.592 2.930 4.660 1.00 0.00 C -ATOM 215 CG ARG A 13 -8.876 2.518 3.936 1.00 0.00 C -ATOM 216 CD ARG A 13 -9.712 3.764 3.626 1.00 0.00 C -ATOM 217 NE ARG A 13 -10.581 3.962 4.816 1.00 0.00 N -ATOM 218 CZ ARG A 13 -11.301 5.044 4.925 1.00 0.00 C -ATOM 219 NH1 ARG A 13 -12.335 5.221 4.149 1.00 0.00 N -ATOM 220 NH2 ARG A 13 -10.987 5.952 5.810 1.00 0.00 N -ATOM 221 H ARG A 13 -5.580 1.512 3.928 1.00 0.00 H -ATOM 222 HA ARG A 13 -7.060 3.832 2.781 1.00 0.00 H -ATOM 223 HB2 ARG A 13 -7.194 2.082 5.199 1.00 0.00 H -ATOM 224 HB3 ARG A 13 -7.812 3.727 5.353 1.00 0.00 H -ATOM 225 HG2 ARG A 13 -8.623 2.015 3.014 1.00 0.00 H -ATOM 226 HG3 ARG A 13 -9.446 1.852 4.565 1.00 0.00 H -ATOM 227 HD2 ARG A 13 -9.070 4.619 3.483 1.00 0.00 H -ATOM 228 HD3 ARG A 13 -10.320 3.599 2.753 1.00 0.00 H -ATOM 229 HE ARG A 13 -10.615 3.280 5.513 1.00 0.00 H -ATOM 230 HH11 ARG A 13 -12.576 4.525 3.472 1.00 0.00 H -ATOM 231 HH12 ARG A 13 -12.886 6.050 4.231 1.00 0.00 H -ATOM 232 HH21 ARG A 13 -10.194 5.816 6.404 1.00 0.00 H -ATOM 233 HH22 ARG A 13 -11.539 6.781 5.893 1.00 0.00 H -ATOM 234 N ASN A 14 -4.368 4.411 3.900 1.00 0.00 N -ATOM 235 CA ASN A 14 -3.392 5.384 4.467 1.00 0.00 C -ATOM 236 C ASN A 14 -2.305 5.688 3.433 1.00 0.00 C -ATOM 237 O ASN A 14 -1.641 4.799 2.933 1.00 0.00 O -ATOM 238 CB ASN A 14 -2.811 4.684 5.703 1.00 0.00 C -ATOM 239 CG ASN A 14 -1.690 5.525 6.310 1.00 0.00 C -ATOM 240 OD1 ASN A 14 -0.556 5.097 6.376 1.00 0.00 O -ATOM 241 ND2 ASN A 14 -1.973 6.710 6.760 1.00 0.00 N -ATOM 242 H ASN A 14 -4.066 3.748 3.245 1.00 0.00 H -ATOM 243 HA ASN A 14 -3.895 6.292 4.761 1.00 0.00 H -ATOM 244 HB2 ASN A 14 -3.591 4.564 6.438 1.00 0.00 H -ATOM 245 HB3 ASN A 14 -2.424 3.716 5.423 1.00 0.00 H -ATOM 246 HD21 ASN A 14 -2.892 7.041 6.703 1.00 0.00 H -ATOM 247 HD22 ASN A 14 -1.271 7.268 7.155 1.00 0.00 H -ATOM 248 N GLU A 15 -2.126 6.943 3.115 1.00 0.00 N -ATOM 249 CA GLU A 15 -1.085 7.330 2.113 1.00 0.00 C -ATOM 250 C GLU A 15 0.297 6.854 2.576 1.00 0.00 C -ATOM 251 O GLU A 15 1.094 6.378 1.791 1.00 0.00 O -ATOM 252 CB GLU A 15 -1.143 8.857 2.053 1.00 0.00 C -ATOM 253 CG GLU A 15 -0.803 9.328 0.638 1.00 0.00 C -ATOM 254 CD GLU A 15 -0.275 10.763 0.688 1.00 0.00 C -ATOM 255 OE1 GLU A 15 -0.811 11.543 1.458 1.00 0.00 O -ATOM 256 OE2 GLU A 15 0.655 11.057 -0.043 1.00 0.00 O -ATOM 257 H GLU A 15 -2.679 7.634 3.536 1.00 0.00 H -ATOM 258 HA GLU A 15 -1.320 6.914 1.146 1.00 0.00 H -ATOM 259 HB2 GLU A 15 -2.140 9.186 2.314 1.00 0.00 H -ATOM 260 HB3 GLU A 15 -0.431 9.273 2.751 1.00 0.00 H -ATOM 261 HG2 GLU A 15 -0.050 8.680 0.214 1.00 0.00 H -ATOM 262 HG3 GLU A 15 -1.692 9.296 0.026 1.00 0.00 H -ATOM 263 N LYS A 16 0.580 6.974 3.850 1.00 0.00 N -ATOM 264 CA LYS A 16 1.904 6.527 4.377 1.00 0.00 C -ATOM 265 C LYS A 16 2.105 5.038 4.104 1.00 0.00 C -ATOM 266 O LYS A 16 3.166 4.601 3.704 1.00 0.00 O -ATOM 267 CB LYS A 16 1.854 6.791 5.883 1.00 0.00 C -ATOM 268 CG LYS A 16 3.248 7.173 6.385 1.00 0.00 C -ATOM 269 CD LYS A 16 3.131 7.863 7.745 1.00 0.00 C -ATOM 270 CE LYS A 16 2.614 6.865 8.784 1.00 0.00 C -ATOM 271 NZ LYS A 16 3.824 6.141 9.260 1.00 0.00 N -ATOM 272 H LYS A 16 -0.079 7.358 4.458 1.00 0.00 H -ATOM 273 HA LYS A 16 2.685 7.095 3.931 1.00 0.00 H -ATOM 274 HB2 LYS A 16 1.163 7.597 6.084 1.00 0.00 H -ATOM 275 HB3 LYS A 16 1.523 5.898 6.392 1.00 0.00 H -ATOM 276 HG2 LYS A 16 3.851 6.281 6.483 1.00 0.00 H -ATOM 277 HG3 LYS A 16 3.712 7.846 5.680 1.00 0.00 H -ATOM 278 HD2 LYS A 16 4.101 8.230 8.048 1.00 0.00 H -ATOM 279 HD3 LYS A 16 2.441 8.691 7.669 1.00 0.00 H -ATOM 280 HE2 LYS A 16 2.139 7.389 9.603 1.00 0.00 H -ATOM 281 HE3 LYS A 16 1.923 6.172 8.329 1.00 0.00 H -ATOM 282 HZ1 LYS A 16 4.510 6.824 9.641 1.00 0.00 H -ATOM 283 HZ2 LYS A 16 4.253 5.623 8.465 1.00 0.00 H -ATOM 284 HZ3 LYS A 16 3.556 5.470 10.007 1.00 0.00 H -ATOM 285 N GLU A 17 1.081 4.269 4.321 1.00 0.00 N -ATOM 286 CA GLU A 17 1.167 2.794 4.082 1.00 0.00 C -ATOM 287 C GLU A 17 1.515 2.516 2.619 1.00 0.00 C -ATOM 288 O GLU A 17 2.488 1.853 2.317 1.00 0.00 O -ATOM 289 CB GLU A 17 -0.226 2.248 4.401 1.00 0.00 C -ATOM 290 CG GLU A 17 -0.332 1.939 5.895 1.00 0.00 C -ATOM 291 CD GLU A 17 0.638 0.811 6.259 1.00 0.00 C -ATOM 292 OE1 GLU A 17 0.458 -0.284 5.754 1.00 0.00 O -ATOM 293 OE2 GLU A 17 1.543 1.064 7.038 1.00 0.00 O -ATOM 294 H GLU A 17 0.248 4.669 4.640 1.00 0.00 H -ATOM 295 HA GLU A 17 1.899 2.347 4.737 1.00 0.00 H -ATOM 296 HB2 GLU A 17 -0.969 2.984 4.132 1.00 0.00 H -ATOM 297 HB3 GLU A 17 -0.395 1.344 3.837 1.00 0.00 H -ATOM 298 HG2 GLU A 17 -0.087 2.824 6.464 1.00 0.00 H -ATOM 299 HG3 GLU A 17 -1.340 1.629 6.124 1.00 0.00 H -ATOM 300 N LEU A 18 0.720 3.021 1.710 1.00 0.00 N -ATOM 301 CA LEU A 18 0.985 2.796 0.254 1.00 0.00 C -ATOM 302 C LEU A 18 2.396 3.263 -0.108 1.00 0.00 C -ATOM 303 O LEU A 18 3.144 2.556 -0.756 1.00 0.00 O -ATOM 304 CB LEU A 18 -0.075 3.632 -0.481 1.00 0.00 C -ATOM 305 CG LEU A 18 -0.579 2.887 -1.728 1.00 0.00 C -ATOM 306 CD1 LEU A 18 -1.157 1.515 -1.333 1.00 0.00 C -ATOM 307 CD2 LEU A 18 -1.666 3.724 -2.409 1.00 0.00 C -ATOM 308 H LEU A 18 -0.058 3.548 1.988 1.00 0.00 H -ATOM 309 HA LEU A 18 0.868 1.754 0.012 1.00 0.00 H -ATOM 310 HB2 LEU A 18 -0.907 3.817 0.184 1.00 0.00 H -ATOM 311 HB3 LEU A 18 0.358 4.575 -0.782 1.00 0.00 H -ATOM 312 HG LEU A 18 0.241 2.748 -2.411 1.00 0.00 H -ATOM 313 HD11 LEU A 18 -1.080 1.394 -0.269 1.00 0.00 H -ATOM 314 HD12 LEU A 18 -0.600 0.724 -1.824 1.00 0.00 H -ATOM 315 HD13 LEU A 18 -2.196 1.456 -1.626 1.00 0.00 H -ATOM 316 HD21 LEU A 18 -2.534 3.775 -1.768 1.00 0.00 H -ATOM 317 HD22 LEU A 18 -1.938 3.265 -3.348 1.00 0.00 H -ATOM 318 HD23 LEU A 18 -1.292 4.721 -2.591 1.00 0.00 H -ATOM 319 N ARG A 19 2.771 4.439 0.323 1.00 0.00 N -ATOM 320 CA ARG A 19 4.145 4.944 0.020 1.00 0.00 C -ATOM 321 C ARG A 19 5.200 4.007 0.621 1.00 0.00 C -ATOM 322 O ARG A 19 6.349 4.025 0.224 1.00 0.00 O -ATOM 323 CB ARG A 19 4.221 6.326 0.671 1.00 0.00 C -ATOM 324 CG ARG A 19 3.372 7.320 -0.132 1.00 0.00 C -ATOM 325 CD ARG A 19 4.103 8.661 -0.231 1.00 0.00 C -ATOM 326 NE ARG A 19 4.763 8.638 -1.562 1.00 0.00 N -ATOM 327 CZ ARG A 19 5.977 9.097 -1.696 1.00 0.00 C -ATOM 328 NH1 ARG A 19 6.997 8.351 -1.370 1.00 0.00 N -ATOM 329 NH2 ARG A 19 6.170 10.302 -2.156 1.00 0.00 N -ATOM 330 H ARG A 19 2.153 4.984 0.856 1.00 0.00 H -ATOM 331 HA ARG A 19 4.285 5.031 -1.045 1.00 0.00 H -ATOM 332 HB2 ARG A 19 3.848 6.265 1.682 1.00 0.00 H -ATOM 333 HB3 ARG A 19 5.247 6.658 0.684 1.00 0.00 H -ATOM 334 HG2 ARG A 19 3.201 6.931 -1.126 1.00 0.00 H -ATOM 335 HG3 ARG A 19 2.425 7.466 0.364 1.00 0.00 H -ATOM 336 HD2 ARG A 19 3.397 9.477 -0.176 1.00 0.00 H -ATOM 337 HD3 ARG A 19 4.843 8.747 0.547 1.00 0.00 H -ATOM 338 HE ARG A 19 4.285 8.282 -2.337 1.00 0.00 H -ATOM 339 HH11 ARG A 19 6.848 7.428 -1.016 1.00 0.00 H -ATOM 340 HH12 ARG A 19 7.927 8.704 -1.472 1.00 0.00 H -ATOM 341 HH21 ARG A 19 5.389 10.873 -2.405 1.00 0.00 H -ATOM 342 HH22 ARG A 19 7.100 10.654 -2.261 1.00 0.00 H -ATOM 343 N ASP A 20 4.818 3.191 1.577 1.00 0.00 N -ATOM 344 CA ASP A 20 5.795 2.252 2.204 1.00 0.00 C -ATOM 345 C ASP A 20 5.623 0.838 1.633 1.00 0.00 C -ATOM 346 O ASP A 20 6.581 0.101 1.492 1.00 0.00 O -ATOM 347 CB ASP A 20 5.457 2.272 3.696 1.00 0.00 C -ATOM 348 CG ASP A 20 6.663 1.782 4.500 1.00 0.00 C -ATOM 349 OD1 ASP A 20 7.247 0.786 4.107 1.00 0.00 O -ATOM 350 OD2 ASP A 20 6.981 2.413 5.494 1.00 0.00 O -ATOM 351 H ASP A 20 3.890 3.197 1.884 1.00 0.00 H -ATOM 352 HA ASP A 20 6.804 2.600 2.051 1.00 0.00 H -ATOM 353 HB2 ASP A 20 5.209 3.279 3.995 1.00 0.00 H -ATOM 354 HB3 ASP A 20 4.615 1.622 3.883 1.00 0.00 H -ATOM 355 N PHE A 21 4.411 0.453 1.307 1.00 0.00 N -ATOM 356 CA PHE A 21 4.182 -0.917 0.750 1.00 0.00 C -ATOM 357 C PHE A 21 4.879 -1.078 -0.607 1.00 0.00 C -ATOM 358 O PHE A 21 5.871 -1.770 -0.728 1.00 0.00 O -ATOM 359 CB PHE A 21 2.670 -1.063 0.584 1.00 0.00 C -ATOM 360 CG PHE A 21 2.406 -2.449 0.062 1.00 0.00 C -ATOM 361 CD1 PHE A 21 2.383 -3.512 0.956 1.00 0.00 C -ATOM 362 CD2 PHE A 21 2.214 -2.670 -1.308 1.00 0.00 C -ATOM 363 CE1 PHE A 21 2.160 -4.813 0.494 1.00 0.00 C -ATOM 364 CE2 PHE A 21 1.992 -3.970 -1.775 1.00 0.00 C -ATOM 365 CZ PHE A 21 1.962 -5.043 -0.873 1.00 0.00 C -ATOM 366 H PHE A 21 3.654 1.064 1.433 1.00 0.00 H -ATOM 367 HA PHE A 21 4.531 -1.672 1.444 1.00 0.00 H -ATOM 368 HB2 PHE A 21 2.192 -0.934 1.536 1.00 0.00 H -ATOM 369 HB3 PHE A 21 2.286 -0.336 -0.107 1.00 0.00 H -ATOM 370 HD1 PHE A 21 2.549 -3.322 2.006 1.00 0.00 H -ATOM 371 HD2 PHE A 21 2.246 -1.839 -2.005 1.00 0.00 H -ATOM 372 HE1 PHE A 21 2.141 -5.640 1.191 1.00 0.00 H -ATOM 373 HE2 PHE A 21 1.844 -4.147 -2.830 1.00 0.00 H -ATOM 374 HZ PHE A 21 1.790 -6.047 -1.233 1.00 0.00 H -ATOM 375 N ILE A 22 4.341 -0.456 -1.632 1.00 0.00 N -ATOM 376 CA ILE A 22 4.933 -0.568 -3.006 1.00 0.00 C -ATOM 377 C ILE A 22 6.449 -0.328 -2.954 1.00 0.00 C -ATOM 378 O ILE A 22 7.209 -0.893 -3.718 1.00 0.00 O -ATOM 379 CB ILE A 22 4.231 0.518 -3.828 1.00 0.00 C -ATOM 380 CG1 ILE A 22 2.745 0.167 -3.957 1.00 0.00 C -ATOM 381 CG2 ILE A 22 4.843 0.575 -5.229 1.00 0.00 C -ATOM 382 CD1 ILE A 22 1.906 1.063 -3.055 1.00 0.00 C -ATOM 383 H ILE A 22 3.537 0.077 -1.496 1.00 0.00 H -ATOM 384 HA ILE A 22 4.709 -1.534 -3.433 1.00 0.00 H -ATOM 385 HB ILE A 22 4.344 1.475 -3.338 1.00 0.00 H -ATOM 386 HG12 ILE A 22 2.435 0.304 -4.981 1.00 0.00 H -ATOM 387 HG13 ILE A 22 2.593 -0.862 -3.672 1.00 0.00 H -ATOM 388 HG21 ILE A 22 4.395 1.384 -5.784 1.00 0.00 H -ATOM 389 HG22 ILE A 22 4.650 -0.360 -5.733 1.00 0.00 H -ATOM 390 HG23 ILE A 22 5.908 0.732 -5.152 1.00 0.00 H -ATOM 391 HD11 ILE A 22 1.640 0.520 -2.158 1.00 0.00 H -ATOM 392 HD12 ILE A 22 1.007 1.354 -3.576 1.00 0.00 H -ATOM 393 HD13 ILE A 22 2.470 1.944 -2.791 1.00 0.00 H -ATOM 394 N GLU A 23 6.875 0.496 -2.038 1.00 0.00 N -ATOM 395 CA GLU A 23 8.337 0.777 -1.897 1.00 0.00 C -ATOM 396 C GLU A 23 9.020 -0.432 -1.256 1.00 0.00 C -ATOM 397 O GLU A 23 10.130 -0.788 -1.605 1.00 0.00 O -ATOM 398 CB GLU A 23 8.431 2.004 -0.980 1.00 0.00 C -ATOM 399 CG GLU A 23 9.118 3.155 -1.720 1.00 0.00 C -ATOM 400 CD GLU A 23 10.632 2.937 -1.711 1.00 0.00 C -ATOM 401 OE1 GLU A 23 11.175 2.730 -0.638 1.00 0.00 O -ATOM 402 OE2 GLU A 23 11.224 2.982 -2.778 1.00 0.00 O -ATOM 403 H GLU A 23 6.228 0.922 -1.432 1.00 0.00 H -ATOM 404 HA GLU A 23 8.774 0.990 -2.859 1.00 0.00 H -ATOM 405 HB2 GLU A 23 7.437 2.310 -0.687 1.00 0.00 H -ATOM 406 HB3 GLU A 23 9.003 1.756 -0.098 1.00 0.00 H -ATOM 407 HG2 GLU A 23 8.764 3.189 -2.741 1.00 0.00 H -ATOM 408 HG3 GLU A 23 8.888 4.089 -1.228 1.00 0.00 H -ATOM 409 N LYS A 24 8.353 -1.070 -0.328 1.00 0.00 N -ATOM 410 CA LYS A 24 8.943 -2.268 0.337 1.00 0.00 C -ATOM 411 C LYS A 24 8.831 -3.477 -0.593 1.00 0.00 C -ATOM 412 O LYS A 24 9.820 -4.087 -0.952 1.00 0.00 O -ATOM 413 CB LYS A 24 8.108 -2.482 1.599 1.00 0.00 C -ATOM 414 CG LYS A 24 8.713 -3.618 2.424 1.00 0.00 C -ATOM 415 CD LYS A 24 8.439 -3.374 3.908 1.00 0.00 C -ATOM 416 CE LYS A 24 9.569 -2.530 4.503 1.00 0.00 C -ATOM 417 NZ LYS A 24 9.815 -3.118 5.850 1.00 0.00 N -ATOM 418 H LYS A 24 7.456 -0.764 -0.076 1.00 0.00 H -ATOM 419 HA LYS A 24 9.974 -2.086 0.600 1.00 0.00 H -ATOM 420 HB2 LYS A 24 8.101 -1.574 2.184 1.00 0.00 H -ATOM 421 HB3 LYS A 24 7.097 -2.740 1.322 1.00 0.00 H -ATOM 422 HG2 LYS A 24 8.270 -4.557 2.123 1.00 0.00 H -ATOM 423 HG3 LYS A 24 9.779 -3.655 2.258 1.00 0.00 H -ATOM 424 HD2 LYS A 24 7.501 -2.850 4.018 1.00 0.00 H -ATOM 425 HD3 LYS A 24 8.387 -4.319 4.425 1.00 0.00 H -ATOM 426 HE2 LYS A 24 10.456 -2.605 3.890 1.00 0.00 H -ATOM 427 HE3 LYS A 24 9.260 -1.501 4.599 1.00 0.00 H -ATOM 428 HZ1 LYS A 24 8.962 -3.013 6.435 1.00 0.00 H -ATOM 429 HZ2 LYS A 24 10.610 -2.622 6.303 1.00 0.00 H -ATOM 430 HZ3 LYS A 24 10.043 -4.126 5.752 1.00 0.00 H -ATOM 431 N PHE A 25 7.631 -3.820 -0.990 1.00 0.00 N -ATOM 432 CA PHE A 25 7.442 -4.981 -1.899 1.00 0.00 C -ATOM 433 C PHE A 25 7.720 -4.569 -3.351 1.00 0.00 C -ATOM 434 O PHE A 25 6.875 -4.706 -4.216 1.00 0.00 O -ATOM 435 CB PHE A 25 5.978 -5.395 -1.726 1.00 0.00 C -ATOM 436 CG PHE A 25 5.694 -6.622 -2.557 1.00 0.00 C -ATOM 437 CD1 PHE A 25 6.456 -7.782 -2.377 1.00 0.00 C -ATOM 438 CD2 PHE A 25 4.668 -6.597 -3.507 1.00 0.00 C -ATOM 439 CE1 PHE A 25 6.190 -8.920 -3.149 1.00 0.00 C -ATOM 440 CE2 PHE A 25 4.402 -7.734 -4.279 1.00 0.00 C -ATOM 441 CZ PHE A 25 5.162 -8.896 -4.101 1.00 0.00 C -ATOM 442 H PHE A 25 6.855 -3.315 -0.689 1.00 0.00 H -ATOM 443 HA PHE A 25 8.085 -5.784 -1.603 1.00 0.00 H -ATOM 444 HB2 PHE A 25 5.787 -5.614 -0.685 1.00 0.00 H -ATOM 445 HB3 PHE A 25 5.335 -4.589 -2.047 1.00 0.00 H -ATOM 446 HD1 PHE A 25 7.248 -7.800 -1.644 1.00 0.00 H -ATOM 447 HD2 PHE A 25 4.083 -5.700 -3.644 1.00 0.00 H -ATOM 448 HE1 PHE A 25 6.777 -9.816 -3.011 1.00 0.00 H -ATOM 449 HE2 PHE A 25 3.609 -7.715 -5.013 1.00 0.00 H -ATOM 450 HZ PHE A 25 4.957 -9.773 -4.696 1.00 0.00 H -ATOM 451 N LYS A 26 8.899 -4.067 -3.619 1.00 0.00 N -ATOM 452 CA LYS A 26 9.237 -3.643 -5.015 1.00 0.00 C -ATOM 453 C LYS A 26 9.208 -4.841 -5.966 1.00 0.00 C -ATOM 454 O LYS A 26 9.065 -4.688 -7.165 1.00 0.00 O -ATOM 455 CB LYS A 26 10.651 -3.060 -4.929 1.00 0.00 C -ATOM 456 CG LYS A 26 10.575 -1.558 -4.631 1.00 0.00 C -ATOM 457 CD LYS A 26 10.779 -0.764 -5.923 1.00 0.00 C -ATOM 458 CE LYS A 26 12.273 -0.691 -6.247 1.00 0.00 C -ATOM 459 NZ LYS A 26 12.380 0.321 -7.333 1.00 0.00 N -ATOM 460 H LYS A 26 9.561 -3.969 -2.905 1.00 0.00 H -ATOM 461 HA LYS A 26 8.551 -2.891 -5.348 1.00 0.00 H -ATOM 462 HB2 LYS A 26 11.195 -3.557 -4.137 1.00 0.00 H -ATOM 463 HB3 LYS A 26 11.162 -3.216 -5.867 1.00 0.00 H -ATOM 464 HG2 LYS A 26 9.607 -1.321 -4.212 1.00 0.00 H -ATOM 465 HG3 LYS A 26 11.346 -1.292 -3.924 1.00 0.00 H -ATOM 466 HD2 LYS A 26 10.257 -1.253 -6.733 1.00 0.00 H -ATOM 467 HD3 LYS A 26 10.391 0.236 -5.796 1.00 0.00 H -ATOM 468 HE2 LYS A 26 12.830 -0.374 -5.376 1.00 0.00 H -ATOM 469 HE3 LYS A 26 12.628 -1.647 -6.597 1.00 0.00 H -ATOM 470 HZ1 LYS A 26 13.348 0.325 -7.710 1.00 0.00 H -ATOM 471 HZ2 LYS A 26 12.154 1.263 -6.953 1.00 0.00 H -ATOM 472 HZ3 LYS A 26 11.711 0.085 -8.095 1.00 0.00 H -ATOM 473 N GLY A 27 9.340 -6.027 -5.439 1.00 0.00 N -ATOM 474 CA GLY A 27 9.321 -7.245 -6.301 1.00 0.00 C -ATOM 475 C GLY A 27 10.737 -7.816 -6.413 1.00 0.00 C -ATOM 476 O GLY A 27 10.922 -9.006 -6.575 1.00 0.00 O -ATOM 477 H GLY A 27 9.453 -6.116 -4.474 1.00 0.00 H -ATOM 478 HA2 GLY A 27 8.667 -7.985 -5.863 1.00 0.00 H -ATOM 479 HA3 GLY A 27 8.963 -6.985 -7.285 1.00 0.00 H -ATOM 480 N ARG A 28 11.734 -6.971 -6.327 1.00 0.00 N -ATOM 481 CA ARG A 28 13.145 -7.458 -6.426 1.00 0.00 C -ATOM 482 C ARG A 28 13.507 -8.282 -5.188 1.00 0.00 C -ATOM 483 O ARG A 28 14.687 -8.502 -4.972 1.00 0.00 O -ATOM 484 CB ARG A 28 14.003 -6.194 -6.499 1.00 0.00 C -ATOM 485 CG ARG A 28 13.806 -5.520 -7.858 1.00 0.00 C -ATOM 486 CD ARG A 28 14.941 -4.523 -8.102 1.00 0.00 C -ATOM 487 NE ARG A 28 16.086 -5.350 -8.571 1.00 0.00 N -ATOM 488 CZ ARG A 28 16.713 -5.034 -9.672 1.00 0.00 C -ATOM 489 NH1 ARG A 28 16.073 -5.030 -10.809 1.00 0.00 N -ATOM 490 NH2 ARG A 28 17.980 -4.722 -9.635 1.00 0.00 N -ATOM 491 OXT ARG A 28 12.599 -8.679 -4.477 1.00 0.00 O -ATOM 492 H ARG A 28 11.554 -6.016 -6.195 1.00 0.00 H -ATOM 493 HA ARG A 28 13.276 -8.046 -7.322 1.00 0.00 H -ATOM 494 HB2 ARG A 28 13.710 -5.514 -5.713 1.00 0.00 H -ATOM 495 HB3 ARG A 28 15.043 -6.458 -6.378 1.00 0.00 H -ATOM 496 HG2 ARG A 28 13.811 -6.270 -8.636 1.00 0.00 H -ATOM 497 HG3 ARG A 28 12.862 -4.998 -7.868 1.00 0.00 H -ATOM 498 HD2 ARG A 28 14.654 -3.807 -8.860 1.00 0.00 H -ATOM 499 HD3 ARG A 28 15.201 -4.016 -7.185 1.00 0.00 H -ATOM 500 HE ARG A 28 16.370 -6.132 -8.055 1.00 0.00 H -ATOM 501 HH11 ARG A 28 15.102 -5.269 -10.836 1.00 0.00 H -ATOM 502 HH12 ARG A 28 16.552 -4.787 -11.652 1.00 0.00 H -ATOM 503 HH21 ARG A 28 18.471 -4.726 -8.764 1.00 0.00 H -ATOM 504 HH22 ARG A 28 18.460 -4.480 -10.478 1.00 0.00 H -TER 505 ARG A 28 -ENDMDL -MASTER 341 0 0 1 2 0 0 617136 34 0 3 -END diff --git a/data/bba/epoch-130-20201203-150026.pt b/data/bba/epoch-130-20201203-150026.pt deleted file mode 100644 index da0822e..0000000 Binary files a/data/bba/epoch-130-20201203-150026.pt and /dev/null differ diff --git a/data/bba/system/1FME-unfolded.pdb b/data/bba/system/1FME-unfolded.pdb deleted file mode 100644 index 7013b73..0000000 --- a/data/bba/system/1FME-unfolded.pdb +++ /dev/null @@ -1,506 +0,0 @@ -CRYST1 46.599 46.599 46.599 90.00 90.00 90.00 P 1 1 -ATOM 1 N GLU P 1 -21.735 21.125 -9.570 0.00 0.00 P N -ATOM 2 HT1 GLU P 1 -22.655 21.313 -9.198 0.00 0.00 P H -ATOM 3 HT2 GLU P 1 -21.690 20.141 -9.795 0.00 0.00 P H -ATOM 4 HT3 GLU P 1 -21.792 21.581 -10.470 0.00 0.00 P H -ATOM 5 CA GLU P 1 -20.667 21.590 -8.722 0.00 0.00 P C -ATOM 6 HA GLU P 1 -19.805 21.304 -9.324 0.00 0.00 P H -ATOM 7 CB GLU P 1 -20.790 23.057 -8.530 0.00 0.00 P C -ATOM 8 HB1 GLU P 1 -20.958 23.579 -9.472 0.00 0.00 P H -ATOM 9 HB2 GLU P 1 -21.642 23.120 -7.853 0.00 0.00 P H -ATOM 10 CG GLU P 1 -19.590 23.626 -7.793 0.00 0.00 P C -ATOM 11 HG1 GLU P 1 -19.647 23.179 -6.800 0.00 0.00 P H -ATOM 12 HG2 GLU P 1 -18.640 23.451 -8.298 0.00 0.00 P H -ATOM 13 CD GLU P 1 -19.688 25.182 -7.530 0.00 0.00 P C -ATOM 14 OE1 GLU P 1 -20.804 25.653 -7.606 0.00 0.00 P O -ATOM 15 OE2 GLU P 1 -18.746 25.861 -7.052 0.00 0.00 P O -ATOM 16 C GLU P 1 -20.523 20.722 -7.486 0.00 0.00 P C -ATOM 17 O GLU P 1 -20.801 21.070 -6.296 0.00 0.00 P O -ATOM 18 N GLN P 2 -19.868 19.607 -7.743 0.00 0.00 P N -ATOM 19 HN GLN P 2 -19.593 19.378 -8.687 0.00 0.00 P H -ATOM 20 CA GLN P 2 -19.419 18.597 -6.738 0.00 0.00 P C -ATOM 21 HA GLN P 2 -18.882 17.793 -7.241 0.00 0.00 P H -ATOM 22 CB GLN P 2 -18.252 19.116 -5.921 0.00 0.00 P C -ATOM 23 HB1 GLN P 2 -17.733 18.238 -5.536 0.00 0.00 P H -ATOM 24 HB2 GLN P 2 -17.487 19.539 -6.572 0.00 0.00 P H -ATOM 25 CG GLN P 2 -18.559 20.065 -4.677 0.00 0.00 P C -ATOM 26 HG1 GLN P 2 -19.610 20.032 -4.389 0.00 0.00 P H -ATOM 27 HG2 GLN P 2 -18.000 19.605 -3.862 0.00 0.00 P H -ATOM 28 CD GLN P 2 -18.173 21.473 -4.753 0.00 0.00 P C -ATOM 29 OE1 GLN P 2 -17.223 21.856 -5.370 0.00 0.00 P O -ATOM 30 NE2 GLN P 2 -18.955 22.302 -4.114 0.00 0.00 P N -ATOM 31 HE21 GLN P 2 -18.617 23.248 -4.009 0.00 0.00 P H -ATOM 32 HE22 GLN P 2 -19.788 21.891 -3.717 0.00 0.00 P H -ATOM 33 C GLN P 2 -20.530 17.972 -5.883 0.00 0.00 P C -ATOM 34 O GLN P 2 -20.329 17.070 -5.091 0.00 0.00 P O -ATOM 35 N TYR P 3 -21.784 18.356 -6.018 0.00 0.00 P N -ATOM 36 HN TYR P 3 -22.014 18.985 -6.775 0.00 0.00 P H -ATOM 37 CA TYR P 3 -22.923 17.782 -5.339 0.00 0.00 P C -ATOM 38 HA TYR P 3 -22.628 17.140 -4.509 0.00 0.00 P H -ATOM 39 CB TYR P 3 -23.695 18.941 -4.716 0.00 0.00 P C -ATOM 40 HB1 TYR P 3 -23.883 19.575 -5.583 0.00 0.00 P H -ATOM 41 HB2 TYR P 3 -24.689 18.795 -4.292 0.00 0.00 P H -ATOM 42 CG TYR P 3 -22.977 19.814 -3.695 0.00 0.00 P C -ATOM 43 CD1 TYR P 3 -23.198 21.212 -3.649 0.00 0.00 P C -ATOM 44 HD1 TYR P 3 -23.955 21.717 -4.230 0.00 0.00 P H -ATOM 45 CE1 TYR P 3 -22.442 22.024 -2.764 0.00 0.00 P C -ATOM 46 HE1 TYR P 3 -22.638 23.085 -2.719 0.00 0.00 P H -ATOM 47 CZ TYR P 3 -21.577 21.451 -1.803 0.00 0.00 P C -ATOM 48 OH TYR P 3 -21.040 22.104 -0.756 0.00 0.00 P O -ATOM 49 HH TYR P 3 -21.243 23.041 -0.814 0.00 0.00 P H -ATOM 50 CD2 TYR P 3 -21.911 19.305 -2.993 0.00 0.00 P C -ATOM 51 HD2 TYR P 3 -21.633 18.280 -3.190 0.00 0.00 P H -ATOM 52 CE2 TYR P 3 -21.284 20.083 -1.969 0.00 0.00 P C -ATOM 53 HE2 TYR P 3 -20.634 19.703 -1.194 0.00 0.00 P H -ATOM 54 C TYR P 3 -23.871 17.053 -6.234 0.00 0.00 P C -ATOM 55 O TYR P 3 -23.569 17.002 -7.445 0.00 0.00 P O -ATOM 56 N THR P 4 -24.815 16.383 -5.595 0.00 0.00 P N -ATOM 57 HN THR P 4 -24.949 16.536 -4.606 0.00 0.00 P H -ATOM 58 CA THR P 4 -25.682 15.366 -6.209 0.00 0.00 P C -ATOM 59 HA THR P 4 -25.886 15.739 -7.213 0.00 0.00 P H -ATOM 60 CB THR P 4 -24.955 13.953 -6.312 0.00 0.00 P C -ATOM 61 HB THR P 4 -25.647 13.214 -6.717 0.00 0.00 P H -ATOM 62 OG1 THR P 4 -24.705 13.580 -4.966 0.00 0.00 P O -ATOM 63 HG1 THR P 4 -24.371 12.689 -4.838 0.00 0.00 P H -ATOM 64 CG2 THR P 4 -23.688 13.861 -7.164 0.00 0.00 P C -ATOM 65 HG21 THR P 4 -23.501 12.814 -7.405 0.00 0.00 P H -ATOM 66 HG22 THR P 4 -23.641 14.554 -8.004 0.00 0.00 P H -ATOM 67 HG23 THR P 4 -22.942 14.150 -6.423 0.00 0.00 P H -ATOM 68 C THR P 4 -27.046 15.378 -5.503 0.00 0.00 P C -ATOM 69 O THR P 4 -28.051 15.536 -6.121 0.00 0.00 P O -ATOM 70 N ALA P 5 -27.016 15.286 -4.202 0.00 0.00 P N -ATOM 71 HN ALA P 5 -26.081 15.265 -3.819 0.00 0.00 P H -ATOM 72 CA ALA P 5 -28.146 15.023 -3.294 0.00 0.00 P C -ATOM 73 HA ALA P 5 -28.837 14.332 -3.778 0.00 0.00 P H -ATOM 74 CB ALA P 5 -27.597 14.393 -2.002 0.00 0.00 P C -ATOM 75 HB1 ALA P 5 -26.852 15.050 -1.555 0.00 0.00 P H -ATOM 76 HB2 ALA P 5 -28.414 14.213 -1.303 0.00 0.00 P H -ATOM 77 HB3 ALA P 5 -27.005 13.506 -2.223 0.00 0.00 P H -ATOM 78 C ALA P 5 -29.061 16.268 -3.111 0.00 0.00 P C -ATOM 79 O ALA P 5 -29.414 16.611 -1.972 0.00 0.00 P O -ATOM 80 N LYS P 6 -29.263 17.134 -4.117 0.00 0.00 P N -ATOM 81 HN LYS P 6 -29.019 16.814 -5.044 0.00 0.00 P H -ATOM 82 CA LYS P 6 -30.058 18.343 -4.056 0.00 0.00 P C -ATOM 83 HA LYS P 6 -29.763 18.971 -4.896 0.00 0.00 P H -ATOM 84 CB LYS P 6 -31.505 18.026 -4.419 0.00 0.00 P C -ATOM 85 HB1 LYS P 6 -32.096 18.941 -4.462 0.00 0.00 P H -ATOM 86 HB2 LYS P 6 -31.492 17.546 -5.398 0.00 0.00 P H -ATOM 87 CG LYS P 6 -32.099 16.989 -3.518 0.00 0.00 P C -ATOM 88 HG1 LYS P 6 -31.640 16.000 -3.546 0.00 0.00 P H -ATOM 89 HG2 LYS P 6 -32.060 17.492 -2.552 0.00 0.00 P H -ATOM 90 CD LYS P 6 -33.622 16.691 -3.867 0.00 0.00 P C -ATOM 91 HD1 LYS P 6 -34.126 17.653 -3.960 0.00 0.00 P H -ATOM 92 HD2 LYS P 6 -33.648 16.233 -4.856 0.00 0.00 P H -ATOM 93 CE LYS P 6 -34.337 15.733 -2.860 0.00 0.00 P C -ATOM 94 HE1 LYS P 6 -33.784 14.806 -2.711 0.00 0.00 P H -ATOM 95 HE2 LYS P 6 -34.304 16.240 -1.895 0.00 0.00 P H -ATOM 96 NZ LYS P 6 -35.773 15.498 -3.257 0.00 0.00 P N -ATOM 97 HZ1 LYS P 6 -35.747 14.899 -4.070 0.00 0.00 P H -ATOM 98 HZ2 LYS P 6 -36.251 15.024 -2.504 0.00 0.00 P H -ATOM 99 HZ3 LYS P 6 -36.368 16.294 -3.441 0.00 0.00 P H -ATOM 100 C LYS P 6 -29.857 19.320 -2.826 0.00 0.00 P C -ATOM 101 O LYS P 6 -30.794 19.928 -2.397 0.00 0.00 P O -ATOM 102 N TYR P 7 -28.606 19.461 -2.381 0.00 0.00 P N -ATOM 103 HN TYR P 7 -27.944 18.867 -2.860 0.00 0.00 P H -ATOM 104 CA TYR P 7 -28.215 20.323 -1.212 0.00 0.00 P C -ATOM 105 HA TYR P 7 -29.005 21.044 -1.001 0.00 0.00 P H -ATOM 106 CB TYR P 7 -28.230 19.418 0.062 0.00 0.00 P C -ATOM 107 HB1 TYR P 7 -29.298 19.399 0.282 0.00 0.00 P H -ATOM 108 HB2 TYR P 7 -27.788 18.451 -0.180 0.00 0.00 P H -ATOM 109 CG TYR P 7 -27.515 20.012 1.339 0.00 0.00 P C -ATOM 110 CD1 TYR P 7 -28.090 21.143 2.016 0.00 0.00 P C -ATOM 111 HD1 TYR P 7 -29.065 21.557 1.805 0.00 0.00 P H -ATOM 112 CE1 TYR P 7 -27.290 21.608 3.115 0.00 0.00 P C -ATOM 113 HE1 TYR P 7 -27.811 22.405 3.624 0.00 0.00 P H -ATOM 114 CZ TYR P 7 -26.114 21.039 3.519 0.00 0.00 P C -ATOM 115 OH TYR P 7 -25.572 21.523 4.666 0.00 0.00 P O -ATOM 116 HH TYR P 7 -24.871 20.967 5.015 0.00 0.00 P H -ATOM 117 CD2 TYR P 7 -26.269 19.432 1.803 0.00 0.00 P C -ATOM 118 HD2 TYR P 7 -25.846 18.557 1.332 0.00 0.00 P H -ATOM 119 CE2 TYR P 7 -25.521 19.893 2.876 0.00 0.00 P C -ATOM 120 HE2 TYR P 7 -24.662 19.369 3.270 0.00 0.00 P H -ATOM 121 C TYR P 7 -26.846 20.975 -1.350 0.00 0.00 P C -ATOM 122 O TYR P 7 -25.896 20.323 -1.945 0.00 0.00 P O -ATOM 123 N LYS P 8 -26.599 22.233 -0.854 0.00 0.00 P N -ATOM 124 HN LYS P 8 -27.319 22.666 -0.293 0.00 0.00 P H -ATOM 125 CA LYS P 8 -25.487 23.095 -1.257 0.00 0.00 P C -ATOM 126 HA LYS P 8 -24.977 22.674 -2.123 0.00 0.00 P H -ATOM 127 CB LYS P 8 -26.068 24.405 -1.869 0.00 0.00 P C -ATOM 128 HB1 LYS P 8 -26.716 24.944 -1.178 0.00 0.00 P H -ATOM 129 HB2 LYS P 8 -25.224 25.087 -1.979 0.00 0.00 P H -ATOM 130 CG LYS P 8 -26.749 24.223 -3.229 0.00 0.00 P C -ATOM 131 HG1 LYS P 8 -26.026 23.716 -3.867 0.00 0.00 P H -ATOM 132 HG2 LYS P 8 -27.531 23.497 -3.009 0.00 0.00 P H -ATOM 133 CD LYS P 8 -27.344 25.522 -3.939 0.00 0.00 P C -ATOM 134 HD1 LYS P 8 -27.900 26.101 -3.201 0.00 0.00 P H -ATOM 135 HD2 LYS P 8 -26.524 26.144 -4.299 0.00 0.00 P H -ATOM 136 CE LYS P 8 -28.220 25.108 -5.123 0.00 0.00 P C -ATOM 137 HE1 LYS P 8 -28.275 25.870 -5.901 0.00 0.00 P H -ATOM 138 HE2 LYS P 8 -27.722 24.261 -5.595 0.00 0.00 P H -ATOM 139 NZ LYS P 8 -29.653 24.834 -4.795 0.00 0.00 P N -ATOM 140 HZ1 LYS P 8 -30.192 24.735 -5.644 0.00 0.00 P H -ATOM 141 HZ2 LYS P 8 -29.805 23.985 -4.269 0.00 0.00 P H -ATOM 142 HZ3 LYS P 8 -30.152 25.545 -4.280 0.00 0.00 P H -ATOM 143 C LYS P 8 -24.501 23.287 -0.178 0.00 0.00 P C -ATOM 144 O LYS P 8 -23.506 24.011 -0.320 0.00 0.00 P O -ATOM 145 N GLY P 9 -24.664 22.590 0.946 0.00 0.00 P N -ATOM 146 HN GLY P 9 -25.341 21.846 1.028 0.00 0.00 P H -ATOM 147 CA GLY P 9 -23.629 22.538 1.977 0.00 0.00 P C -ATOM 148 HA1 GLY P 9 -24.084 22.542 2.967 0.00 0.00 P H -ATOM 149 HA2 GLY P 9 -23.010 23.427 2.096 0.00 0.00 P H -ATOM 150 C GLY P 9 -22.737 21.262 1.835 0.00 0.00 P C -ATOM 151 O GLY P 9 -23.083 20.419 1.016 0.00 0.00 P O -ATOM 152 N ARG P 10 -21.642 21.199 2.653 0.00 0.00 P N -ATOM 153 HN ARG P 10 -21.547 21.905 3.369 0.00 0.00 P H -ATOM 154 CA ARG P 10 -20.667 20.087 2.632 0.00 0.00 P C -ATOM 155 HA ARG P 10 -20.508 19.918 1.567 0.00 0.00 P H -ATOM 156 CB ARG P 10 -19.395 20.650 3.266 0.00 0.00 P C -ATOM 157 HB1 ARG P 10 -18.691 20.124 2.622 0.00 0.00 P H -ATOM 158 HB2 ARG P 10 -19.350 21.730 3.124 0.00 0.00 P H -ATOM 159 CG ARG P 10 -19.139 20.203 4.759 0.00 0.00 P C -ATOM 160 HG1 ARG P 10 -19.822 20.769 5.393 0.00 0.00 P H -ATOM 161 HG2 ARG P 10 -19.193 19.128 4.930 0.00 0.00 P H -ATOM 162 CD ARG P 10 -17.783 20.829 5.087 0.00 0.00 P C -ATOM 163 HD1 ARG P 10 -17.860 21.916 5.084 0.00 0.00 P H -ATOM 164 HD2 ARG P 10 -17.580 20.584 6.130 0.00 0.00 P H -ATOM 165 NE ARG P 10 -16.792 20.340 4.198 0.00 0.00 P N -ATOM 166 HE ARG P 10 -16.896 19.372 3.930 0.00 0.00 P H -ATOM 167 CZ ARG P 10 -15.775 20.940 3.603 0.00 0.00 P C -ATOM 168 NH1 ARG P 10 -15.429 22.118 3.780 0.00 0.00 P N -ATOM 169 HH11 ARG P 10 -14.807 22.532 3.100 0.00 0.00 P H -ATOM 170 HH12 ARG P 10 -15.913 22.650 4.490 0.00 0.00 P H -ATOM 171 NH2 ARG P 10 -15.258 20.348 2.608 0.00 0.00 P N -ATOM 172 HH21 ARG P 10 -14.443 20.748 2.165 0.00 0.00 P H -ATOM 173 HH22 ARG P 10 -15.488 19.402 2.340 0.00 0.00 P H -ATOM 174 C ARG P 10 -21.133 18.754 3.274 0.00 0.00 P C -ATOM 175 O ARG P 10 -21.963 18.753 4.198 0.00 0.00 P O -ATOM 176 N THR P 11 -20.546 17.669 2.797 0.00 0.00 P N -ATOM 177 HN THR P 11 -19.931 17.811 2.008 0.00 0.00 P H -ATOM 178 CA THR P 11 -20.636 16.311 3.294 0.00 0.00 P C -ATOM 179 HA THR P 11 -21.191 16.262 4.231 0.00 0.00 P H -ATOM 180 CB THR P 11 -21.509 15.435 2.397 0.00 0.00 P C -ATOM 181 HB THR P 11 -21.142 15.415 1.370 0.00 0.00 P H -ATOM 182 OG1 THR P 11 -22.772 16.102 2.361 0.00 0.00 P O -ATOM 183 HG1 THR P 11 -23.143 15.926 1.493 0.00 0.00 P H -ATOM 184 CG2 THR P 11 -21.788 14.000 2.938 0.00 0.00 P C -ATOM 185 HG21 THR P 11 -22.379 13.420 2.230 0.00 0.00 P H -ATOM 186 HG22 THR P 11 -20.864 13.444 3.094 0.00 0.00 P H -ATOM 187 HG23 THR P 11 -22.241 14.099 3.925 0.00 0.00 P H -ATOM 188 C THR P 11 -19.291 15.645 3.508 0.00 0.00 P C -ATOM 189 O THR P 11 -19.120 14.966 4.571 0.00 0.00 P O -ATOM 190 N PHE P 12 -18.372 15.694 2.531 0.00 0.00 P N -ATOM 191 HN PHE P 12 -18.503 16.359 1.782 0.00 0.00 P H -ATOM 192 CA PHE P 12 -16.998 15.193 2.610 0.00 0.00 P C -ATOM 193 HA PHE P 12 -17.093 14.443 3.395 0.00 0.00 P H -ATOM 194 CB PHE P 12 -16.539 14.562 1.308 0.00 0.00 P C -ATOM 195 HB1 PHE P 12 -16.267 15.325 0.578 0.00 0.00 P H -ATOM 196 HB2 PHE P 12 -15.696 13.906 1.522 0.00 0.00 P H -ATOM 197 CG PHE P 12 -17.585 13.664 0.611 0.00 0.00 P C -ATOM 198 CD1 PHE P 12 -18.291 12.637 1.329 0.00 0.00 P C -ATOM 199 HD1 PHE P 12 -18.046 12.441 2.362 0.00 0.00 P H -ATOM 200 CE1 PHE P 12 -19.097 11.782 0.628 0.00 0.00 P C -ATOM 201 HE1 PHE P 12 -19.612 10.972 1.124 0.00 0.00 P H -ATOM 202 CZ PHE P 12 -19.396 12.024 -0.692 0.00 0.00 P C -ATOM 203 HZ PHE P 12 -20.106 11.371 -1.180 0.00 0.00 P H -ATOM 204 CD2 PHE P 12 -17.923 13.938 -0.750 0.00 0.00 P C -ATOM 205 HD2 PHE P 12 -17.469 14.759 -1.284 0.00 0.00 P H -ATOM 206 CE2 PHE P 12 -18.806 13.069 -1.365 0.00 0.00 P C -ATOM 207 HE2 PHE P 12 -19.140 13.260 -2.375 0.00 0.00 P H -ATOM 208 C PHE P 12 -15.951 16.325 3.037 0.00 0.00 P C -ATOM 209 O PHE P 12 -16.195 17.522 2.897 0.00 0.00 P O -ATOM 210 N ARG P 13 -14.831 15.948 3.673 0.00 0.00 P N -ATOM 211 HN ARG P 13 -14.748 14.960 3.863 0.00 0.00 P H -ATOM 212 CA ARG P 13 -13.764 16.839 4.232 0.00 0.00 P C -ATOM 213 HA ARG P 13 -13.686 17.706 3.576 0.00 0.00 P H -ATOM 214 CB ARG P 13 -14.127 17.359 5.641 0.00 0.00 P C -ATOM 215 HB1 ARG P 13 -15.192 17.561 5.760 0.00 0.00 P H -ATOM 216 HB2 ARG P 13 -13.722 16.708 6.416 0.00 0.00 P H -ATOM 217 CG ARG P 13 -13.463 18.706 5.923 0.00 0.00 P C -ATOM 218 HG1 ARG P 13 -12.419 18.788 5.621 0.00 0.00 P H -ATOM 219 HG2 ARG P 13 -13.936 19.483 5.323 0.00 0.00 P H -ATOM 220 CD ARG P 13 -13.526 19.101 7.342 0.00 0.00 P C -ATOM 221 HD1 ARG P 13 -13.600 20.180 7.481 0.00 0.00 P H -ATOM 222 HD2 ARG P 13 -14.469 18.742 7.754 0.00 0.00 P H -ATOM 223 NE ARG P 13 -12.468 18.478 8.148 0.00 0.00 P N -ATOM 224 HE ARG P 13 -12.427 17.470 8.187 0.00 0.00 P H -ATOM 225 CZ ARG P 13 -11.462 19.080 8.736 0.00 0.00 P C -ATOM 226 NH1 ARG P 13 -11.292 20.337 8.852 0.00 0.00 P N -ATOM 227 HH11 ARG P 13 -10.509 20.595 9.436 0.00 0.00 P H -ATOM 228 HH12 ARG P 13 -11.991 20.990 8.528 0.00 0.00 P H -ATOM 229 NH2 ARG P 13 -10.627 18.369 9.289 0.00 0.00 P N -ATOM 230 HH21 ARG P 13 -9.834 18.866 9.670 0.00 0.00 P H -ATOM 231 HH22 ARG P 13 -10.880 17.400 9.416 0.00 0.00 P H -ATOM 232 C ARG P 13 -12.344 16.177 4.281 0.00 0.00 P C -ATOM 233 O ARG P 13 -12.298 14.951 4.475 0.00 0.00 P O -ATOM 234 N ASN P 14 -11.285 16.994 4.070 0.00 0.00 P N -ATOM 235 HN ASN P 14 -11.448 17.975 3.892 0.00 0.00 P H -ATOM 236 CA ASN P 14 -9.922 16.515 4.239 0.00 0.00 P C -ATOM 237 HA ASN P 14 -9.774 15.496 3.882 0.00 0.00 P H -ATOM 238 CB ASN P 14 -9.072 17.381 3.266 0.00 0.00 P C -ATOM 239 HB1 ASN P 14 -9.331 16.996 2.279 0.00 0.00 P H -ATOM 240 HB2 ASN P 14 -9.327 18.441 3.289 0.00 0.00 P H -ATOM 241 CG ASN P 14 -7.601 17.201 3.292 0.00 0.00 P C -ATOM 242 OD1 ASN P 14 -7.127 16.405 4.015 0.00 0.00 P O -ATOM 243 ND2 ASN P 14 -7.007 18.037 2.537 0.00 0.00 P N -ATOM 244 HD21 ASN P 14 -6.047 17.750 2.404 0.00 0.00 P H -ATOM 245 HD22 ASN P 14 -7.509 18.862 2.241 0.00 0.00 P H -ATOM 246 C ASN P 14 -9.513 16.592 5.705 0.00 0.00 P C -ATOM 247 O ASN P 14 -9.816 17.613 6.336 0.00 0.00 P O -ATOM 248 N GLU P 15 -8.736 15.578 6.192 0.00 0.00 P N -ATOM 249 HN GLU P 15 -8.693 14.777 5.578 0.00 0.00 P H -ATOM 250 CA GLU P 15 -8.042 15.539 7.459 0.00 0.00 P C -ATOM 251 HA GLU P 15 -8.421 16.385 8.032 0.00 0.00 P H -ATOM 252 CB GLU P 15 -8.563 14.267 8.141 0.00 0.00 P C -ATOM 253 HB1 GLU P 15 -8.279 13.398 7.547 0.00 0.00 P H -ATOM 254 HB2 GLU P 15 -8.141 14.072 9.126 0.00 0.00 P H -ATOM 255 CG GLU P 15 -10.070 14.044 8.335 0.00 0.00 P C -ATOM 256 HG1 GLU P 15 -10.579 13.851 7.390 0.00 0.00 P H -ATOM 257 HG2 GLU P 15 -10.113 13.144 8.949 0.00 0.00 P H -ATOM 258 CD GLU P 15 -10.880 15.189 9.061 0.00 0.00 P C -ATOM 259 OE1 GLU P 15 -10.486 15.523 10.157 0.00 0.00 P O -ATOM 260 OE2 GLU P 15 -11.781 15.845 8.466 0.00 0.00 P O -ATOM 261 C GLU P 15 -6.565 15.688 7.538 0.00 0.00 P C -ATOM 262 O GLU P 15 -5.949 15.845 8.574 0.00 0.00 P O -ATOM 263 N LYS P 16 -5.897 15.496 6.400 0.00 0.00 P N -ATOM 264 HN LYS P 16 -6.429 15.366 5.551 0.00 0.00 P H -ATOM 265 CA LYS P 16 -4.422 15.272 6.293 0.00 0.00 P C -ATOM 266 HA LYS P 16 -3.975 15.046 7.261 0.00 0.00 P H -ATOM 267 CB LYS P 16 -4.144 14.059 5.357 0.00 0.00 P C -ATOM 268 HB1 LYS P 16 -4.229 14.348 4.309 0.00 0.00 P H -ATOM 269 HB2 LYS P 16 -3.094 13.771 5.410 0.00 0.00 P H -ATOM 270 CG LYS P 16 -4.914 12.841 5.896 0.00 0.00 P C -ATOM 271 HG1 LYS P 16 -4.439 12.593 6.845 0.00 0.00 P H -ATOM 272 HG2 LYS P 16 -5.990 13.017 5.889 0.00 0.00 P H -ATOM 273 CD LYS P 16 -4.767 11.560 5.003 0.00 0.00 P C -ATOM 274 HD1 LYS P 16 -5.575 10.856 5.201 0.00 0.00 P H -ATOM 275 HD2 LYS P 16 -4.818 11.844 3.952 0.00 0.00 P H -ATOM 276 CE LYS P 16 -3.461 10.691 5.061 0.00 0.00 P C -ATOM 277 HE1 LYS P 16 -3.461 9.919 4.292 0.00 0.00 P H -ATOM 278 HE2 LYS P 16 -2.586 11.338 5.002 0.00 0.00 P H -ATOM 279 NZ LYS P 16 -3.331 9.974 6.341 0.00 0.00 P N -ATOM 280 HZ1 LYS P 16 -4.084 9.302 6.303 0.00 0.00 P H -ATOM 281 HZ2 LYS P 16 -2.439 9.561 6.570 0.00 0.00 P H -ATOM 282 HZ3 LYS P 16 -3.617 10.539 7.129 0.00 0.00 P H -ATOM 283 C LYS P 16 -3.679 16.555 5.943 0.00 0.00 P C -ATOM 284 O LYS P 16 -2.448 16.637 6.130 0.00 0.00 P O -ATOM 285 N GLU P 17 -4.323 17.575 5.352 0.00 0.00 P N -ATOM 286 HN GLU P 17 -5.318 17.460 5.218 0.00 0.00 P H -ATOM 287 CA GLU P 17 -3.783 18.807 4.853 0.00 0.00 P C -ATOM 288 HA GLU P 17 -2.966 19.129 5.498 0.00 0.00 P H -ATOM 289 CB GLU P 17 -3.237 18.498 3.461 0.00 0.00 P C -ATOM 290 HB1 GLU P 17 -3.543 17.509 3.121 0.00 0.00 P H -ATOM 291 HB2 GLU P 17 -3.780 19.091 2.725 0.00 0.00 P H -ATOM 292 CG GLU P 17 -1.677 18.632 3.243 0.00 0.00 P C -ATOM 293 HG1 GLU P 17 -1.329 17.934 4.004 0.00 0.00 P H -ATOM 294 HG2 GLU P 17 -1.485 18.283 2.228 0.00 0.00 P H -ATOM 295 CD GLU P 17 -1.272 20.107 3.269 0.00 0.00 P C -ATOM 296 OE1 GLU P 17 -1.300 20.741 4.346 0.00 0.00 P O -ATOM 297 OE2 GLU P 17 -0.841 20.629 2.220 0.00 0.00 P O -ATOM 298 C GLU P 17 -4.739 20.000 4.699 0.00 0.00 P C -ATOM 299 O GLU P 17 -5.949 19.839 4.876 0.00 0.00 P O -ATOM 300 N LEU P 18 -4.249 21.168 4.379 0.00 0.00 P N -ATOM 301 HN LEU P 18 -3.255 21.128 4.204 0.00 0.00 P H -ATOM 302 CA LEU P 18 -4.941 22.472 4.333 0.00 0.00 P C -ATOM 303 HA LEU P 18 -5.611 22.471 5.192 0.00 0.00 P H -ATOM 304 CB LEU P 18 -3.966 23.727 4.578 0.00 0.00 P C -ATOM 305 HB1 LEU P 18 -2.917 23.433 4.602 0.00 0.00 P H -ATOM 306 HB2 LEU P 18 -3.976 24.389 3.712 0.00 0.00 P H -ATOM 307 CG LEU P 18 -4.300 24.404 5.911 0.00 0.00 P C -ATOM 308 HG LEU P 18 -5.379 24.379 6.063 0.00 0.00 P H -ATOM 309 CD1 LEU P 18 -3.589 23.756 7.048 0.00 0.00 P C -ATOM 310 HD11 LEU P 18 -2.511 23.824 6.903 0.00 0.00 P H -ATOM 311 HD12 LEU P 18 -3.897 24.190 7.999 0.00 0.00 P H -ATOM 312 HD13 LEU P 18 -3.868 22.707 7.144 0.00 0.00 P H -ATOM 313 CD2 LEU P 18 -3.814 25.805 5.928 0.00 0.00 P C -ATOM 314 HD21 LEU P 18 -2.787 25.687 5.583 0.00 0.00 P H -ATOM 315 HD22 LEU P 18 -4.343 26.431 5.210 0.00 0.00 P H -ATOM 316 HD23 LEU P 18 -3.919 26.311 6.888 0.00 0.00 P H -ATOM 317 C LEU P 18 -5.778 22.611 3.046 0.00 0.00 P C -ATOM 318 O LEU P 18 -6.334 23.664 2.762 0.00 0.00 P O -ATOM 319 N ARG P 19 -5.775 21.505 2.245 0.00 0.00 P N -ATOM 320 HN ARG P 19 -5.325 20.638 2.505 0.00 0.00 P H -ATOM 321 CA ARG P 19 -6.509 21.524 0.982 0.00 0.00 P C -ATOM 322 HA ARG P 19 -6.454 22.538 0.586 0.00 0.00 P H -ATOM 323 CB ARG P 19 -5.864 20.604 -0.046 0.00 0.00 P C -ATOM 324 HB1 ARG P 19 -5.789 19.613 0.401 0.00 0.00 P H -ATOM 325 HB2 ARG P 19 -6.466 20.631 -0.954 0.00 0.00 P H -ATOM 326 CG ARG P 19 -4.541 21.057 -0.638 0.00 0.00 P C -ATOM 327 HG1 ARG P 19 -3.898 21.080 0.241 0.00 0.00 P H -ATOM 328 HG2 ARG P 19 -4.136 20.262 -1.263 0.00 0.00 P H -ATOM 329 CD ARG P 19 -4.438 22.360 -1.435 0.00 0.00 P C -ATOM 330 HD1 ARG P 19 -4.868 22.326 -2.435 0.00 0.00 P H -ATOM 331 HD2 ARG P 19 -4.973 23.153 -0.913 0.00 0.00 P H -ATOM 332 NE ARG P 19 -3.030 22.772 -1.509 0.00 0.00 P N -ATOM 333 HE ARG P 19 -2.332 22.070 -1.308 0.00 0.00 P H -ATOM 334 CZ ARG P 19 -2.617 23.990 -1.688 0.00 0.00 P C -ATOM 335 NH1 ARG P 19 -3.414 24.980 -1.933 0.00 0.00 P N -ATOM 336 HH11 ARG P 19 -2.868 25.807 -2.133 0.00 0.00 P H -ATOM 337 HH12 ARG P 19 -4.309 24.876 -2.388 0.00 0.00 P H -ATOM 338 NH2 ARG P 19 -1.366 24.312 -1.661 0.00 0.00 P N -ATOM 339 HH21 ARG P 19 -1.113 25.226 -2.008 0.00 0.00 P H -ATOM 340 HH22 ARG P 19 -0.646 23.672 -1.357 0.00 0.00 P H -ATOM 341 C ARG P 19 -7.984 21.279 1.159 0.00 0.00 P C -ATOM 342 O ARG P 19 -8.292 20.193 1.653 0.00 0.00 P O -ATOM 343 N ASP P 20 -8.859 22.205 0.776 0.00 0.00 P N -ATOM 344 HN ASP P 20 -8.486 23.121 0.568 0.00 0.00 P H -ATOM 345 CA ASP P 20 -10.294 21.993 0.740 0.00 0.00 P C -ATOM 346 HA ASP P 20 -10.472 21.009 1.175 0.00 0.00 P H -ATOM 347 CB ASP P 20 -11.043 22.989 1.531 0.00 0.00 P C -ATOM 348 HB1 ASP P 20 -10.532 22.986 2.494 0.00 0.00 P H -ATOM 349 HB2 ASP P 20 -10.847 23.960 1.076 0.00 0.00 P H -ATOM 350 CG ASP P 20 -12.530 22.641 1.748 0.00 0.00 P C -ATOM 351 OD1 ASP P 20 -13.307 23.534 2.164 0.00 0.00 P O -ATOM 352 OD2 ASP P 20 -12.975 21.459 1.583 0.00 0.00 P O -ATOM 353 C ASP P 20 -10.770 22.003 -0.727 0.00 0.00 P C -ATOM 354 O ASP P 20 -10.156 22.746 -1.521 0.00 0.00 P O -ATOM 355 N PHE P 21 -11.796 21.251 -0.988 0.00 0.00 P N -ATOM 356 HN PHE P 21 -12.323 20.781 -0.266 0.00 0.00 P H -ATOM 357 CA PHE P 21 -12.494 21.344 -2.320 0.00 0.00 P C -ATOM 358 HA PHE P 21 -11.699 21.696 -2.977 0.00 0.00 P H -ATOM 359 CB PHE P 21 -13.019 19.975 -2.730 0.00 0.00 P C -ATOM 360 HB1 PHE P 21 -13.421 20.063 -3.740 0.00 0.00 P H -ATOM 361 HB2 PHE P 21 -12.179 19.291 -2.848 0.00 0.00 P H -ATOM 362 CG PHE P 21 -14.006 19.284 -1.772 0.00 0.00 P C -ATOM 363 CD1 PHE P 21 -13.609 18.653 -0.565 0.00 0.00 P C -ATOM 364 HD1 PHE P 21 -12.601 18.791 -0.203 0.00 0.00 P H -ATOM 365 CE1 PHE P 21 -14.594 17.880 0.041 0.00 0.00 P C -ATOM 366 HE1 PHE P 21 -14.355 17.309 0.926 0.00 0.00 P H -ATOM 367 CZ PHE P 21 -15.947 17.921 -0.358 0.00 0.00 P C -ATOM 368 HZ PHE P 21 -16.791 17.512 0.177 0.00 0.00 P H -ATOM 369 CD2 PHE P 21 -15.341 19.306 -2.191 0.00 0.00 P C -ATOM 370 HD2 PHE P 21 -15.618 19.958 -3.007 0.00 0.00 P H -ATOM 371 CE2 PHE P 21 -16.290 18.694 -1.490 0.00 0.00 P C -ATOM 372 HE2 PHE P 21 -17.361 18.731 -1.622 0.00 0.00 P H -ATOM 373 C PHE P 21 -13.562 22.498 -2.251 0.00 0.00 P C -ATOM 374 O PHE P 21 -13.798 23.239 -3.173 0.00 0.00 P O -ATOM 375 N ILE P 22 -14.291 22.609 -1.121 0.00 0.00 P N -ATOM 376 HN ILE P 22 -14.227 21.872 -0.432 0.00 0.00 P H -ATOM 377 CA ILE P 22 -15.371 23.669 -1.011 0.00 0.00 P C -ATOM 378 HA ILE P 22 -15.955 23.646 -1.931 0.00 0.00 P H -ATOM 379 CB ILE P 22 -16.191 23.563 0.289 0.00 0.00 P C -ATOM 380 HB ILE P 22 -15.522 23.501 1.147 0.00 0.00 P H -ATOM 381 CG2 ILE P 22 -17.219 24.666 0.557 0.00 0.00 P C -ATOM 382 HG21 ILE P 22 -16.722 25.510 1.036 0.00 0.00 P H -ATOM 383 HG22 ILE P 22 -17.814 24.988 -0.297 0.00 0.00 P H -ATOM 384 HG23 ILE P 22 -17.900 24.312 1.331 0.00 0.00 P H -ATOM 385 CG1 ILE P 22 -16.997 22.215 0.311 0.00 0.00 P C -ATOM 386 HG11 ILE P 22 -16.375 21.324 0.392 0.00 0.00 P H -ATOM 387 HG12 ILE P 22 -17.585 22.119 1.224 0.00 0.00 P H -ATOM 388 CD ILE P 22 -17.925 22.052 -0.977 0.00 0.00 P C -ATOM 389 HD1 ILE P 22 -18.549 22.930 -1.143 0.00 0.00 P H -ATOM 390 HD2 ILE P 22 -17.285 21.875 -1.841 0.00 0.00 P H -ATOM 391 HD3 ILE P 22 -18.561 21.179 -0.831 0.00 0.00 P H -ATOM 392 C ILE P 22 -14.684 25.029 -0.965 0.00 0.00 P C -ATOM 393 O ILE P 22 -15.001 25.819 -1.801 0.00 0.00 P O -ATOM 394 N GLU P 23 -13.804 25.315 -0.020 0.00 0.00 P N -ATOM 395 HN GLU P 23 -13.708 24.664 0.746 0.00 0.00 P H -ATOM 396 CA GLU P 23 -12.976 26.490 0.073 0.00 0.00 P C -ATOM 397 HA GLU P 23 -13.397 27.406 -0.343 0.00 0.00 P H -ATOM 398 CB GLU P 23 -12.950 26.836 1.594 0.00 0.00 P C -ATOM 399 HB1 GLU P 23 -12.564 26.134 2.333 0.00 0.00 P H -ATOM 400 HB2 GLU P 23 -12.256 27.675 1.642 0.00 0.00 P H -ATOM 401 CG GLU P 23 -14.286 27.422 2.149 0.00 0.00 P C -ATOM 402 HG1 GLU P 23 -14.387 28.361 1.605 0.00 0.00 P H -ATOM 403 HG2 GLU P 23 -15.142 26.765 1.993 0.00 0.00 P H -ATOM 404 CD GLU P 23 -14.226 27.861 3.670 0.00 0.00 P C -ATOM 405 OE1 GLU P 23 -14.874 28.890 4.097 0.00 0.00 P O -ATOM 406 OE2 GLU P 23 -13.473 27.214 4.434 0.00 0.00 P O -ATOM 407 C GLU P 23 -11.596 26.415 -0.631 0.00 0.00 P C -ATOM 408 O GLU P 23 -10.584 26.487 0.017 0.00 0.00 P O -ATOM 409 N LYS P 24 -11.593 26.316 -1.933 0.00 0.00 P N -ATOM 410 HN LYS P 24 -12.485 26.173 -2.385 0.00 0.00 P H -ATOM 411 CA LYS P 24 -10.427 26.045 -2.842 0.00 0.00 P C -ATOM 412 HA LYS P 24 -9.725 25.399 -2.316 0.00 0.00 P H -ATOM 413 CB LYS P 24 -10.943 25.395 -4.124 0.00 0.00 P C -ATOM 414 HB1 LYS P 24 -10.092 25.127 -4.750 0.00 0.00 P H -ATOM 415 HB2 LYS P 24 -11.491 24.494 -3.847 0.00 0.00 P H -ATOM 416 CG LYS P 24 -11.989 26.209 -4.987 0.00 0.00 P C -ATOM 417 HG1 LYS P 24 -12.822 26.153 -4.286 0.00 0.00 P H -ATOM 418 HG2 LYS P 24 -11.786 27.264 -5.170 0.00 0.00 P H -ATOM 419 CD LYS P 24 -12.388 25.638 -6.299 0.00 0.00 P C -ATOM 420 HD1 LYS P 24 -11.528 25.676 -6.968 0.00 0.00 P H -ATOM 421 HD2 LYS P 24 -12.448 24.555 -6.189 0.00 0.00 P H -ATOM 422 CE LYS P 24 -13.706 26.082 -6.890 0.00 0.00 P C -ATOM 423 HE1 LYS P 24 -14.444 26.039 -6.089 0.00 0.00 P H -ATOM 424 HE2 LYS P 24 -13.545 27.151 -7.025 0.00 0.00 P H -ATOM 425 NZ LYS P 24 -14.148 25.379 -8.095 0.00 0.00 P N -ATOM 426 HZ1 LYS P 24 -14.930 25.932 -8.415 0.00 0.00 P H -ATOM 427 HZ2 LYS P 24 -13.376 25.373 -8.745 0.00 0.00 P H -ATOM 428 HZ3 LYS P 24 -14.402 24.414 -7.941 0.00 0.00 P H -ATOM 429 C LYS P 24 -9.425 27.209 -3.075 0.00 0.00 P C -ATOM 430 O LYS P 24 -8.620 27.321 -4.003 0.00 0.00 P O -ATOM 431 N PHE P 25 -9.548 28.102 -2.029 0.00 0.00 P N -ATOM 432 HN PHE P 25 -10.240 27.868 -1.331 0.00 0.00 P H -ATOM 433 CA PHE P 25 -8.992 29.453 -1.844 0.00 0.00 P C -ATOM 434 HA PHE P 25 -8.219 29.522 -2.610 0.00 0.00 P H -ATOM 435 CB PHE P 25 -10.018 30.510 -2.132 0.00 0.00 P C -ATOM 436 HB1 PHE P 25 -9.659 31.493 -1.824 0.00 0.00 P H -ATOM 437 HB2 PHE P 25 -10.170 30.515 -3.212 0.00 0.00 P H -ATOM 438 CG PHE P 25 -11.360 30.314 -1.435 0.00 0.00 P C -ATOM 439 CD1 PHE P 25 -11.489 30.426 -0.091 0.00 0.00 P C -ATOM 440 HD1 PHE P 25 -10.665 30.610 0.583 0.00 0.00 P H -ATOM 441 CE1 PHE P 25 -12.687 30.402 0.585 0.00 0.00 P C -ATOM 442 HE1 PHE P 25 -12.798 30.501 1.655 0.00 0.00 P H -ATOM 443 CZ PHE P 25 -13.841 30.162 -0.131 0.00 0.00 P C -ATOM 444 HZ PHE P 25 -14.754 30.289 0.432 0.00 0.00 P H -ATOM 445 CD2 PHE P 25 -12.484 30.092 -2.201 0.00 0.00 P C -ATOM 446 HD2 PHE P 25 -12.528 30.022 -3.278 0.00 0.00 P H -ATOM 447 CE2 PHE P 25 -13.790 30.081 -1.556 0.00 0.00 P C -ATOM 448 HE2 PHE P 25 -14.687 30.073 -2.157 0.00 0.00 P H -ATOM 449 C PHE P 25 -8.141 29.583 -0.562 0.00 0.00 P C -ATOM 450 O PHE P 25 -7.355 30.538 -0.524 0.00 0.00 P O -ATOM 451 N LYS P 26 -8.231 28.660 0.368 0.00 0.00 P N -ATOM 452 HN LYS P 26 -8.986 28.032 0.128 0.00 0.00 P H -ATOM 453 CA LYS P 26 -7.598 28.614 1.672 0.00 0.00 P C -ATOM 454 HA LYS P 26 -7.419 29.609 2.079 0.00 0.00 P H -ATOM 455 CB LYS P 26 -8.709 27.983 2.622 0.00 0.00 P C -ATOM 456 HB1 LYS P 26 -9.162 27.109 2.155 0.00 0.00 P H -ATOM 457 HB2 LYS P 26 -8.237 27.665 3.552 0.00 0.00 P H -ATOM 458 CG LYS P 26 -9.678 29.011 3.108 0.00 0.00 P C -ATOM 459 HG1 LYS P 26 -9.250 29.948 3.467 0.00 0.00 P H -ATOM 460 HG2 LYS P 26 -10.240 29.441 2.278 0.00 0.00 P H -ATOM 461 CD LYS P 26 -10.532 28.437 4.266 0.00 0.00 P C -ATOM 462 HD1 LYS P 26 -11.132 27.569 3.994 0.00 0.00 P H -ATOM 463 HD2 LYS P 26 -9.800 28.082 4.992 0.00 0.00 P H -ATOM 464 CE LYS P 26 -11.436 29.486 4.927 0.00 0.00 P C -ATOM 465 HE1 LYS P 26 -10.892 30.327 5.357 0.00 0.00 P H -ATOM 466 HE2 LYS P 26 -12.217 29.837 4.252 0.00 0.00 P H -ATOM 467 NZ LYS P 26 -12.231 28.925 6.069 0.00 0.00 P N -ATOM 468 HZ1 LYS P 26 -12.714 29.614 6.628 0.00 0.00 P H -ATOM 469 HZ2 LYS P 26 -12.898 28.282 5.668 0.00 0.00 P H -ATOM 470 HZ3 LYS P 26 -11.694 28.362 6.713 0.00 0.00 P H -ATOM 471 C LYS P 26 -6.234 27.885 1.905 0.00 0.00 P C -ATOM 472 O LYS P 26 -5.742 27.912 3.023 0.00 0.00 P O -ATOM 473 N GLY P 27 -5.700 27.064 0.930 0.00 0.00 P N -ATOM 474 HN GLY P 27 -6.326 26.951 0.145 0.00 0.00 P H -ATOM 475 CA GLY P 27 -4.622 26.096 1.122 0.00 0.00 P C -ATOM 476 HA1 GLY P 27 -4.646 25.457 0.239 0.00 0.00 P H -ATOM 477 HA2 GLY P 27 -4.797 25.564 2.058 0.00 0.00 P H -ATOM 478 C GLY P 27 -3.232 26.796 1.321 0.00 0.00 P C -ATOM 479 O GLY P 27 -3.204 28.006 1.330 0.00 0.00 P O -ATOM 480 C ARG P 28 0.300 25.771 0.956 0.00 0.00 P C -ATOM 481 OT1 ARG P 28 1.135 26.510 0.375 0.00 0.00 P O -ATOM 482 OT2 ARG P 28 0.301 24.511 1.049 0.00 0.00 P O -ATOM 483 N ARG P 28 -2.165 25.986 1.359 0.00 0.00 P N -ATOM 484 HN ARG P 28 -2.351 25.008 1.189 0.00 0.00 P H -ATOM 485 CA ARG P 28 -0.839 26.447 1.763 0.00 0.00 P C -ATOM 486 HA ARG P 28 -0.723 27.511 1.560 0.00 0.00 P H -ATOM 487 CB ARG P 28 -0.675 26.184 3.273 0.00 0.00 P C -ATOM 488 HB1 ARG P 28 -1.569 26.667 3.667 0.00 0.00 P H -ATOM 489 HB2 ARG P 28 -0.880 25.141 3.517 0.00 0.00 P H -ATOM 490 CG ARG P 28 0.541 26.649 4.027 0.00 0.00 P C -ATOM 491 HG1 ARG P 28 0.776 27.565 3.486 0.00 0.00 P H -ATOM 492 HG2 ARG P 28 0.239 27.063 4.989 0.00 0.00 P H -ATOM 493 CD ARG P 28 1.722 25.626 3.999 0.00 0.00 P C -ATOM 494 HD1 ARG P 28 1.851 25.263 2.979 0.00 0.00 P H -ATOM 495 HD2 ARG P 28 2.607 26.154 4.354 0.00 0.00 P H -ATOM 496 NE ARG P 28 1.552 24.490 4.875 0.00 0.00 P N -ATOM 497 HE ARG P 28 1.972 24.642 5.781 0.00 0.00 P H -ATOM 498 CZ ARG P 28 0.905 23.347 4.652 0.00 0.00 P C -ATOM 499 NH1 ARG P 28 0.568 22.972 3.478 0.00 0.00 P N -ATOM 500 HH11 ARG P 28 0.149 22.068 3.313 0.00 0.00 P H -ATOM 501 HH12 ARG P 28 0.829 23.466 2.637 0.00 0.00 P H -ATOM 502 NH2 ARG P 28 0.541 22.547 5.595 0.00 0.00 P N -ATOM 503 HH21 ARG P 28 -0.071 21.761 5.430 0.00 0.00 P H -ATOM 504 HH22 ARG P 28 0.575 22.801 6.572 0.00 0.00 P H -END diff --git a/data/h2co/README.md b/data/h2co/README.md deleted file mode 100644 index 231ec90..0000000 --- a/data/h2co/README.md +++ /dev/null @@ -1,8 +0,0 @@ -# Formaldehyde - -The structures in this folder correspond to a transition state -search on formaldehyde. These structures stem from a string -method QA test in NWChem. - -See: https://github.com/nwchemgit/nwchem/tree/master/QA/tests/h2co_zts_par -for details. diff --git a/data/h2co/h2co-folded.pdb b/data/h2co/h2co-folded.pdb deleted file mode 100644 index a216b53..0000000 --- a/data/h2co/h2co-folded.pdb +++ /dev/null @@ -1,7 +0,0 @@ -HETATM 1 C1 FAL A 1 6.030 6.379 6.619 1.00 1.00 C -HETATM 2 C2 FAL A 1 6.220 5.940 8.036 1.00 1.00 C -HETATM 3 H1 FAL A 1 6.294 7.453 6.424 1.00 1.00 H -HETATM 4 H2 FAL A 1 5.608 6.570 8.702 1.00 1.00 H -HETATM 5 H3 FAL A 1 5.947 4.884 8.155 1.00 1.00 H -HETATM 6 H4 FAL A 1 7.268 6.101 8.335 1.00 1.00 H -HETATM 7 O FAL A 1 5.630 5.670 5.727 1.00 1.00 O diff --git a/data/h2co/system/README.md b/data/h2co/system/README.md deleted file mode 100644 index 9249432..0000000 --- a/data/h2co/system/README.md +++ /dev/null @@ -1,28 +0,0 @@ -This directory contains two sets of files - -- PDB file(s) with the structure of the formaldehyde isomer -- NWChem input files for specific training data points - -The input files target training data points that are difficult -to generate automatically. The structures are radicals with particular -spin states. These are easily to set up by hand but automatically -guessing the correct spin state would require non-trivial script -writing. So, it is easier to provide the finished input files. - -The numbering of the diatomic input files has the following meaning: - -- 000000 - the equilibrium structure -- 00000n - structures with elongated bonds relative to the equilibrium structure, - the higher n the more elongated the bond -- 00001n - structures with shortened bonds relative to the equilibrium structure, - the higher n the shorter the bond - -Because the energy rises much faster for shortened bonds than for elongated bonds, -the shortening happens in small step (in most cases 0.1 Angstrom), whereas the -elongating happens in increasingly larger steps (up to a maximum of 2 Angstrom -at the moment). - -The hope is that by providing training data points for individual atoms and -diatomic systems we can "anchor" the neural network potential to the behavior -of well understood sub-systems. In addition the corresponding data points -are easily calculated. diff --git a/data/h2co/system/c1_000000.nwi b/data/h2co/system/c1_000000.nwi deleted file mode 100644 index 8ee2a69..0000000 --- a/data/h2co/system/c1_000000.nwi +++ /dev/null @@ -1,32 +0,0 @@ -echo - -title "c1_000000_dat" - -permanent_dir ./c1_000000_dat - -scratch_dir ./c1_000000_dat - -start c1_000000_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.2580000000000000e+00 6.2779999999999996e+00 6.3810000000000002e+00 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 3 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1h1_000000.nwi b/data/h2co/system/c1h1_000000.nwi deleted file mode 100644 index a566c74..0000000 --- a/data/h2co/system/c1h1_000000.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "c1h1_000000_dat" - -permanent_dir ./c1h1_000000_dat - -scratch_dir ./c1h1_000000_dat - -start c1h1_000000_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.11862680 - C 6.1500000000000004e+00 6.9409999999999998e+00 9.24337320 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1h1_000001.nwi b/data/h2co/system/c1h1_000001.nwi deleted file mode 100644 index 44f277c..0000000 --- a/data/h2co/system/c1h1_000001.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "c1h1_000001_dat" - -permanent_dir ./c1h1_000001_dat - -scratch_dir ./c1h1_000001_dat - -start c1h1_000001_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.11862680 - C 6.1500000000000004e+00 6.9409999999999998e+00 9.29337320 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1h1_000002.nwi b/data/h2co/system/c1h1_000002.nwi deleted file mode 100644 index e3713fe..0000000 --- a/data/h2co/system/c1h1_000002.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "c1h1_000002_dat" - -permanent_dir ./c1h1_000002_dat - -scratch_dir ./c1h1_000002_dat - -start c1h1_000002_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.11862680 - C 6.1500000000000004e+00 6.9409999999999998e+00 9.44337320 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1h1_000003.nwi b/data/h2co/system/c1h1_000003.nwi deleted file mode 100644 index 396ff5d..0000000 --- a/data/h2co/system/c1h1_000003.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "c1h1_000003_dat" - -permanent_dir ./c1h1_000003_dat - -scratch_dir ./c1h1_000003_dat - -start c1h1_000003_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.11862680 - C 6.1500000000000004e+00 6.9409999999999998e+00 9.74337320 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1h1_000004.nwi b/data/h2co/system/c1h1_000004.nwi deleted file mode 100644 index de83f07..0000000 --- a/data/h2co/system/c1h1_000004.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "c1h1_000004_dat" - -permanent_dir ./c1h1_000004_dat - -scratch_dir ./c1h1_000004_dat - -start c1h1_000004_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.11862680 - C 6.1500000000000004e+00 6.9409999999999998e+00 10.24337320 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1h1_000005.nwi b/data/h2co/system/c1h1_000005.nwi deleted file mode 100644 index 7ef8fe8..0000000 --- a/data/h2co/system/c1h1_000005.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "c1h1_000005_dat" - -permanent_dir ./c1h1_000005_dat - -scratch_dir ./c1h1_000005_dat - -start c1h1_000005_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.11862680 - C 6.1500000000000004e+00 6.9409999999999998e+00 11.24337320 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1h1_000011.nwi b/data/h2co/system/c1h1_000011.nwi deleted file mode 100644 index 72a7f9d..0000000 --- a/data/h2co/system/c1h1_000011.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "c1h1_000011_dat" - -permanent_dir ./c1h1_000011_dat - -scratch_dir ./c1h1_000011_dat - -start c1h1_000011_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.11862680 - C 6.1500000000000004e+00 6.9409999999999998e+00 9.19337320 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1h1_000012.nwi b/data/h2co/system/c1h1_000012.nwi deleted file mode 100644 index 9b6c990..0000000 --- a/data/h2co/system/c1h1_000012.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "c1h1_000012_dat" - -permanent_dir ./c1h1_000012_dat - -scratch_dir ./c1h1_000012_dat - -start c1h1_000012_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.11862680 - C 6.1500000000000004e+00 6.9409999999999998e+00 9.14337320 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1h1_000013.nwi b/data/h2co/system/c1h1_000013.nwi deleted file mode 100644 index e3e6574..0000000 --- a/data/h2co/system/c1h1_000013.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "c1h1_000013_dat" - -permanent_dir ./c1h1_000013_dat - -scratch_dir ./c1h1_000013_dat - -start c1h1_000013_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.11862680 - C 6.1500000000000004e+00 6.9409999999999998e+00 9.04337320 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1h1_000014.nwi b/data/h2co/system/c1h1_000014.nwi deleted file mode 100644 index 8dfd8b2..0000000 --- a/data/h2co/system/c1h1_000014.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "c1h1_000014_dat" - -permanent_dir ./c1h1_000014_dat - -scratch_dir ./c1h1_000014_dat - -start c1h1_000014_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.11862680 - C 6.1500000000000004e+00 6.9409999999999998e+00 8.94337320 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1h1_000015.nwi b/data/h2co/system/c1h1_000015.nwi deleted file mode 100644 index 6113aa0..0000000 --- a/data/h2co/system/c1h1_000015.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "c1h1_000015_dat" - -permanent_dir ./c1h1_000015_dat - -scratch_dir ./c1h1_000015_dat - -start c1h1_000015_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.11862680 - C 6.1500000000000004e+00 6.9409999999999998e+00 8.84337320 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o1_000000.nwi b/data/h2co/system/c1o1_000000.nwi deleted file mode 100644 index f104a67..0000000 --- a/data/h2co/system/c1o1_000000.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o1_000000_dat" - -permanent_dir ./c1o1_000000_dat - -scratch_dir ./c1o1_000000_dat - -start c1o1_000000_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.00000000 6.00000000 6.46544280 - O 6.00000000 6.00000000 7.59155720 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - cgmin - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o1_000001.nwi b/data/h2co/system/c1o1_000001.nwi deleted file mode 100644 index 9d5395f..0000000 --- a/data/h2co/system/c1o1_000001.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o1_000001_dat" - -permanent_dir ./c1o1_000001_dat - -scratch_dir ./c1o1_000001_dat - -start c1o1_000001_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.00000000 6.00000000 6.46544280 - O 6.00000000 6.00000000 7.69155720 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - cgmin - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o1_000002.nwi b/data/h2co/system/c1o1_000002.nwi deleted file mode 100644 index a64fd2d..0000000 --- a/data/h2co/system/c1o1_000002.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o1_000002_dat" - -permanent_dir ./c1o1_000002_dat - -scratch_dir ./c1o1_000002_dat - -start c1o1_000002_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.00000000 6.00000000 6.46544280 - O 6.00000000 6.00000000 7.89155720 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - cgmin - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o1_000003.nwi b/data/h2co/system/c1o1_000003.nwi deleted file mode 100644 index 76b8085..0000000 --- a/data/h2co/system/c1o1_000003.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o1_000003_dat" - -permanent_dir ./c1o1_000003_dat - -scratch_dir ./c1o1_000003_dat - -start c1o1_000003_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.00000000 6.00000000 6.46544280 - O 6.00000000 6.00000000 8.09155720 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - cgmin - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o1_000004.nwi b/data/h2co/system/c1o1_000004.nwi deleted file mode 100644 index 8be6828..0000000 --- a/data/h2co/system/c1o1_000004.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o1_000004_dat" - -permanent_dir ./c1o1_000004_dat - -scratch_dir ./c1o1_000004_dat - -start c1o1_000004_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.00000000 6.00000000 6.46544280 - O 6.00000000 6.00000000 8.59155720 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - cgmin - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o1_000005.nwi b/data/h2co/system/c1o1_000005.nwi deleted file mode 100644 index 969a64b..0000000 --- a/data/h2co/system/c1o1_000005.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o1_000005_dat" - -permanent_dir ./c1o1_000005_dat - -scratch_dir ./c1o1_000005_dat - -start c1o1_000005_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.00000000 6.00000000 6.46544280 - O 6.00000000 6.00000000 9.59155720 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - cgmin - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o1_000011.nwi b/data/h2co/system/c1o1_000011.nwi deleted file mode 100644 index 9c5d85a..0000000 --- a/data/h2co/system/c1o1_000011.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o1_000011_dat" - -permanent_dir ./c1o1_000011_dat - -scratch_dir ./c1o1_000011_dat - -start c1o1_000011_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.00000000 6.00000000 6.46544280 - O 6.00000000 6.00000000 7.54155720 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - cgmin - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o1_000012.nwi b/data/h2co/system/c1o1_000012.nwi deleted file mode 100644 index 2d53ebf..0000000 --- a/data/h2co/system/c1o1_000012.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o1_000012_dat" - -permanent_dir ./c1o1_000012_dat - -scratch_dir ./c1o1_000012_dat - -start c1o1_000012_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.00000000 6.00000000 6.46544280 - O 6.00000000 6.00000000 7.49155720 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - cgmin - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o1_000013.nwi b/data/h2co/system/c1o1_000013.nwi deleted file mode 100644 index a87b3d4..0000000 --- a/data/h2co/system/c1o1_000013.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o1_000013_dat" - -permanent_dir ./c1o1_000013_dat - -scratch_dir ./c1o1_000013_dat - -start c1o1_000013_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.00000000 6.00000000 6.46544280 - O 6.00000000 6.00000000 7.39155720 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - cgmin - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o1_000014.nwi b/data/h2co/system/c1o1_000014.nwi deleted file mode 100644 index 21ae1a2..0000000 --- a/data/h2co/system/c1o1_000014.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o1_000014_dat" - -permanent_dir ./c1o1_000014_dat - -scratch_dir ./c1o1_000014_dat - -start c1o1_000014_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.00000000 6.00000000 6.46544280 - O 6.00000000 6.00000000 7.29155720 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - cgmin - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o1_000015.nwi b/data/h2co/system/c1o1_000015.nwi deleted file mode 100644 index bbec511..0000000 --- a/data/h2co/system/c1o1_000015.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o1_000015_dat" - -permanent_dir ./c1o1_000015_dat - -scratch_dir ./c1o1_000015_dat - -start c1o1_000015_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.00000000 6.00000000 6.46544280 - O 6.00000000 6.00000000 7.19155720 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - cgmin - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o1_000016.nwi b/data/h2co/system/c1o1_000016.nwi deleted file mode 100644 index ebde59e..0000000 --- a/data/h2co/system/c1o1_000016.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o1_000016_dat" - -permanent_dir ./c1o1_000016_dat - -scratch_dir ./c1o1_000016_dat - -start c1o1_000016_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.00000000 6.00000000 6.46544280 - O 6.00000000 6.00000000 7.09155720 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - cgmin - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c1o2_000000.nwi b/data/h2co/system/c1o2_000000.nwi deleted file mode 100644 index 0eca64d..0000000 --- a/data/h2co/system/c1o2_000000.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c1o2_000000_dat" - -permanent_dir ./c1o2_000000_dat - -scratch_dir ./c1o2_000000_dat - -start c1o2_000000_dat - -geometry units angstrom nocenter noautosym noautoz - O 6.15400000 5.95518785 7.86072084 - C 6.15400000 6.14301715 6.70933349 - O 6.15400000 6.33079500 5.55794566 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c2_000000.nwi b/data/h2co/system/c2_000000.nwi deleted file mode 100644 index 13726b2..0000000 --- a/data/h2co/system/c2_000000.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "c2_000000_dat" - -permanent_dir ./c2_000000_dat - -scratch_dir ./c2_000000_dat - -start c2_000000_dat - -geometry units angstrom nocenter noautosym noautoz - C 6.2580000000000000e+00 6.2779999999999996e+00 6.3810000000000002e+00 - C 6.2580000000000000e+00 6.2779999999999996e+00 0.4310000000000002e+00 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 5 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c3h8_000000.nwi b/data/h2co/system/c3h8_000000.nwi deleted file mode 100644 index 999bd0e..0000000 --- a/data/h2co/system/c3h8_000000.nwi +++ /dev/null @@ -1,42 +0,0 @@ -echo - -title "c3h8_000000_dat" - -permanent_dir ./c3h8_000000_dat - -scratch_dir ./c3h8_000000_dat - -start c3h8_000000_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H -1.16100607 -0.60323800 1.24971765 - H -0.55113316 1.05253272 1.47005852 - H 0.30536421 -0.31735289 2.21874442 - C -0.24236441 0.00408499 1.31866458 - C 0.60501456 -0.14058466 0.06041653 - H 1.53167614 0.45197551 0.16903832 - H 0.92710499 -1.19218603 -0.04918331 - C -0.13630927 0.29875874 -1.19643833 - H 0.48726073 0.18838128 -2.09774788 - H -1.05149534 -0.29915061 -1.34599574 - H -0.44175299 1.35678043 -1.12711126 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c3h8_000001.nwi b/data/h2co/system/c3h8_000001.nwi deleted file mode 100644 index 438a047..0000000 --- a/data/h2co/system/c3h8_000001.nwi +++ /dev/null @@ -1,42 +0,0 @@ -echo - -title "c3h8_000001_dat" - -permanent_dir ./c3h8_000001_dat - -scratch_dir ./c3h8_000001_dat - -start c3h8_000001_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H -1.16100607 -0.60323800 1.24971765 - H -0.55113316 1.05253272 1.47005852 - H 0.30536421 -0.31735289 2.21874442 - C -0.24236441 0.00408499 1.51866458 - C 0.60501456 -0.14058466 0.06041653 - H 1.53167614 0.45197551 0.16903832 - H 0.92710499 -1.19218603 -0.04918331 - C -0.13630927 0.29875874 -1.19643833 - H 0.48726073 0.18838128 -2.09774788 - H -1.05149534 -0.29915061 -1.34599574 - H -0.44175299 1.35678043 -1.12711126 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c3h8_000002.nwi b/data/h2co/system/c3h8_000002.nwi deleted file mode 100644 index 253930e..0000000 --- a/data/h2co/system/c3h8_000002.nwi +++ /dev/null @@ -1,42 +0,0 @@ -echo - -title "c3h8_000002_dat" - -permanent_dir ./c3h8_000002_dat - -scratch_dir ./c3h8_000002_dat - -start c3h8_000002_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H -1.16100607 -0.60323800 1.24971765 - H -0.55113316 1.05253272 1.47005852 - H 0.30536421 -0.31735289 2.21874442 - C -0.24236441 0.00408499 1.11866458 - C 0.60501456 -0.14058466 0.06041653 - H 1.53167614 0.45197551 0.16903832 - H 0.92710499 -1.19218603 -0.04918331 - C -0.13630927 0.29875874 -1.19643833 - H 0.48726073 0.18838128 -2.09774788 - H -1.05149534 -0.29915061 -1.34599574 - H -0.44175299 1.35678043 -1.12711126 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c3h8_000010.nwi b/data/h2co/system/c3h8_000010.nwi deleted file mode 100644 index c84b1e1..0000000 --- a/data/h2co/system/c3h8_000010.nwi +++ /dev/null @@ -1,42 +0,0 @@ -echo - -title "c3h8_000010_dat" - -permanent_dir ./c3h8_000010_dat - -scratch_dir ./c3h8_000010_dat - -start c3h8_000010_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H -1.16100607 -0.60323800 1.24971765 - H -0.55113316 1.05253272 1.47005852 - H 0.30536421 -0.31735289 2.21874442 - C -0.24236441 0.20408499 1.31866458 - C 0.60501456 -0.14058466 0.06041653 - H 1.53167614 0.45197551 0.16903832 - H 0.92710499 -1.19218603 -0.04918331 - C -0.13630927 0.29875874 -1.19643833 - H 0.48726073 0.18838128 -2.09774788 - H -1.05149534 -0.29915061 -1.34599574 - H -0.44175299 1.35678043 -1.12711126 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c3h8_000020.nwi b/data/h2co/system/c3h8_000020.nwi deleted file mode 100644 index f584901..0000000 --- a/data/h2co/system/c3h8_000020.nwi +++ /dev/null @@ -1,42 +0,0 @@ -echo - -title "c3h8_000020_dat" - -permanent_dir ./c3h8_000020_dat - -scratch_dir ./c3h8_000020_dat - -start c3h8_000020_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H -1.16100607 -0.60323800 1.24971765 - H -0.55113316 1.05253272 1.47005852 - H 0.30536421 -0.31735289 2.21874442 - C -0.24236441 -0.20408499 1.31866458 - C 0.60501456 -0.14058466 0.06041653 - H 1.53167614 0.45197551 0.16903832 - H 0.92710499 -1.19218603 -0.04918331 - C -0.13630927 0.29875874 -1.19643833 - H 0.48726073 0.18838128 -2.09774788 - H -1.05149534 -0.29915061 -1.34599574 - H -0.44175299 1.35678043 -1.12711126 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c3h8_000100.nwi b/data/h2co/system/c3h8_000100.nwi deleted file mode 100644 index 931ab8d..0000000 --- a/data/h2co/system/c3h8_000100.nwi +++ /dev/null @@ -1,42 +0,0 @@ -echo - -title "c3h8_000100_dat" - -permanent_dir ./c3h8_000100_dat - -scratch_dir ./c3h8_000100_dat - -start c3h8_000100_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H -1.16100607 -0.60323800 1.24971765 - H -0.55113316 1.05253272 1.47005852 - H 0.30536421 -0.31735289 2.21874442 - C -0.04236441 0.00408499 1.31866458 - C 0.60501456 -0.14058466 0.06041653 - H 1.53167614 0.45197551 0.16903832 - H 0.92710499 -1.19218603 -0.04918331 - C -0.13630927 0.29875874 -1.19643833 - H 0.48726073 0.18838128 -2.09774788 - H -1.05149534 -0.29915061 -1.34599574 - H -0.44175299 1.35678043 -1.12711126 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/c3h8_000200.nwi b/data/h2co/system/c3h8_000200.nwi deleted file mode 100644 index f080d8a..0000000 --- a/data/h2co/system/c3h8_000200.nwi +++ /dev/null @@ -1,42 +0,0 @@ -echo - -title "c3h8_000200_dat" - -permanent_dir ./c3h8_000200_dat - -scratch_dir ./c3h8_000200_dat - -start c3h8_000200_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H -1.16100607 -0.60323800 1.24971765 - H -0.55113316 1.05253272 1.47005852 - H 0.30536421 -0.31735289 2.21874442 - C -0.44236441 0.00408499 1.31866458 - C 0.60501456 -0.14058466 0.06041653 - H 1.53167614 0.45197551 0.16903832 - H 0.92710499 -1.19218603 -0.04918331 - C -0.13630927 0.29875874 -1.19643833 - H 0.48726073 0.18838128 -2.09774788 - H -1.05149534 -0.29915061 -1.34599574 - H -0.44175299 1.35678043 -1.12711126 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h1_000000.nwi b/data/h2co/system/h1_000000.nwi deleted file mode 100644 index b91a760..0000000 --- a/data/h2co/system/h1_000000.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "h1_000000_dat" - -permanent_dir ./h1_000000_dat - -scratch_dir ./h1_000000_dat - -start h1_000000_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.30995915 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h1o1_000000.nwi b/data/h2co/system/h1o1_000000.nwi deleted file mode 100644 index 8c6c201..0000000 --- a/data/h2co/system/h1o1_000000.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "h1o1_000000_dat" - -permanent_dir ./h1o1_000000_dat - -scratch_dir ./h1o1_000000_dat - -start h1o1_000000_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.19461497 - O 6.1500000000000004e+00 6.9409999999999998e+00 9.16738503 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h1o1_000001.nwi b/data/h2co/system/h1o1_000001.nwi deleted file mode 100644 index 668f827..0000000 --- a/data/h2co/system/h1o1_000001.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "h1o1_000001_dat" - -permanent_dir ./h1o1_000001_dat - -scratch_dir ./h1o1_000001_dat - -start h1o1_000001_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.19461497 - O 6.1500000000000004e+00 6.9409999999999998e+00 9.21738503 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h1o1_000002.nwi b/data/h2co/system/h1o1_000002.nwi deleted file mode 100644 index 97f3d0f..0000000 --- a/data/h2co/system/h1o1_000002.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "h1o1_000002_dat" - -permanent_dir ./h1o1_000002_dat - -scratch_dir ./h1o1_000002_dat - -start h1o1_000002_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.19461497 - O 6.1500000000000004e+00 6.9409999999999998e+00 9.26738503 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h1o1_000003.nwi b/data/h2co/system/h1o1_000003.nwi deleted file mode 100644 index 926a3c4..0000000 --- a/data/h2co/system/h1o1_000003.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "h1o1_000003_dat" - -permanent_dir ./h1o1_000003_dat - -scratch_dir ./h1o1_000003_dat - -start h1o1_000003_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.19461497 - O 6.1500000000000004e+00 6.9409999999999998e+00 9.66738503 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h1o1_000004.nwi b/data/h2co/system/h1o1_000004.nwi deleted file mode 100644 index 0708074..0000000 --- a/data/h2co/system/h1o1_000004.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "h1o1_000004_dat" - -permanent_dir ./h1o1_000004_dat - -scratch_dir ./h1o1_000004_dat - -start h1o1_000004_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.19461497 - O 6.1500000000000004e+00 6.9409999999999998e+00 10.16738503 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h1o1_000005.nwi b/data/h2co/system/h1o1_000005.nwi deleted file mode 100644 index d4b4ab8..0000000 --- a/data/h2co/system/h1o1_000005.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "h1o1_000005_dat" - -permanent_dir ./h1o1_000005_dat - -scratch_dir ./h1o1_000005_dat - -start h1o1_000005_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.19461497 - O 6.1500000000000004e+00 6.9409999999999998e+00 11.16738503 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h1o1_000011.nwi b/data/h2co/system/h1o1_000011.nwi deleted file mode 100644 index b6b3b82..0000000 --- a/data/h2co/system/h1o1_000011.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "h1o1_000011_dat" - -permanent_dir ./h1o1_000011_dat - -scratch_dir ./h1o1_000011_dat - -start h1o1_000011_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.19461497 - O 6.1500000000000004e+00 6.9409999999999998e+00 9.11738503 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h1o1_000012.nwi b/data/h2co/system/h1o1_000012.nwi deleted file mode 100644 index ce56321..0000000 --- a/data/h2co/system/h1o1_000012.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "h1o1_000012_dat" - -permanent_dir ./h1o1_000012_dat - -scratch_dir ./h1o1_000012_dat - -start h1o1_000012_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.19461497 - O 6.1500000000000004e+00 6.9409999999999998e+00 9.06738503 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h1o1_000013.nwi b/data/h2co/system/h1o1_000013.nwi deleted file mode 100644 index 96c61a0..0000000 --- a/data/h2co/system/h1o1_000013.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "h1o1_000013_dat" - -permanent_dir ./h1o1_000013_dat - -scratch_dir ./h1o1_000013_dat - -start h1o1_000013_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.19461497 - O 6.1500000000000004e+00 6.9409999999999998e+00 8.96738503 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h1o1_000014.nwi b/data/h2co/system/h1o1_000014.nwi deleted file mode 100644 index d56b0f5..0000000 --- a/data/h2co/system/h1o1_000014.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "h1o1_000014_dat" - -permanent_dir ./h1o1_000014_dat - -scratch_dir ./h1o1_000014_dat - -start h1o1_000014_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.19461497 - O 6.1500000000000004e+00 6.9409999999999998e+00 8.86738503 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h1o1_000015.nwi b/data/h2co/system/h1o1_000015.nwi deleted file mode 100644 index f8fd864..0000000 --- a/data/h2co/system/h1o1_000015.nwi +++ /dev/null @@ -1,34 +0,0 @@ -echo - -title "h1o1_000015_dat" - -permanent_dir ./h1o1_000015_dat - -scratch_dir ./h1o1_000015_dat - -start h1o1_000015_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.19461497 - O 6.1500000000000004e+00 6.9409999999999998e+00 8.76738503 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 2 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2_000000.nwi b/data/h2co/system/h2_000000.nwi deleted file mode 100644 index e4c7045..0000000 --- a/data/h2co/system/h2_000000.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "h2_000000_dat" - -permanent_dir ./h2_000000_dat - -scratch_dir ./h2_000000_dat - -start h2_000000_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.30995915 - H 6.1500000000000004e+00 6.9409999999999998e+00 9.05204085 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2_000001.nwi b/data/h2co/system/h2_000001.nwi deleted file mode 100644 index 6e22860..0000000 --- a/data/h2co/system/h2_000001.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "h2_000001_dat" - -permanent_dir ./h2_000001_dat - -scratch_dir ./h2_000001_dat - -start h2_000001_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.30995915 - H 6.1500000000000004e+00 6.9409999999999998e+00 9.10204085 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2_000002.nwi b/data/h2co/system/h2_000002.nwi deleted file mode 100644 index 88b7b1b..0000000 --- a/data/h2co/system/h2_000002.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "h2_000002_dat" - -permanent_dir ./h2_000002_dat - -scratch_dir ./h2_000002_dat - -start h2_000002_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.30995915 - H 6.1500000000000004e+00 6.9409999999999998e+00 9.25204085 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2_000003.nwi b/data/h2co/system/h2_000003.nwi deleted file mode 100644 index 627e12c..0000000 --- a/data/h2co/system/h2_000003.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "h2_000003_dat" - -permanent_dir ./h2_000003_dat - -scratch_dir ./h2_000003_dat - -start h2_000003_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.30995915 - H 6.1500000000000004e+00 6.9409999999999998e+00 9.55204085 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2_000004.nwi b/data/h2co/system/h2_000004.nwi deleted file mode 100644 index 53caaca..0000000 --- a/data/h2co/system/h2_000004.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "h2_000004_dat" - -permanent_dir ./h2_000004_dat - -scratch_dir ./h2_000004_dat - -start h2_000004_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.30995915 - H 6.1500000000000004e+00 6.9409999999999998e+00 10.05204085 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2_000005.nwi b/data/h2co/system/h2_000005.nwi deleted file mode 100644 index 2f5cddc..0000000 --- a/data/h2co/system/h2_000005.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "h2_000005_dat" - -permanent_dir ./h2_000005_dat - -scratch_dir ./h2_000005_dat - -start h2_000005_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.30995915 - H 6.1500000000000004e+00 6.9409999999999998e+00 11.05204085 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2_000011.nwi b/data/h2co/system/h2_000011.nwi deleted file mode 100644 index 34e2dcb..0000000 --- a/data/h2co/system/h2_000011.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "h2_000011_dat" - -permanent_dir ./h2_000011_dat - -scratch_dir ./h2_000011_dat - -start h2_000011_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.30995915 - H 6.1500000000000004e+00 6.9409999999999998e+00 9.00204085 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2_000012.nwi b/data/h2co/system/h2_000012.nwi deleted file mode 100644 index e5a2a3a..0000000 --- a/data/h2co/system/h2_000012.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "h2_000012_dat" - -permanent_dir ./h2_000012_dat - -scratch_dir ./h2_000012_dat - -start h2_000012_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.30995915 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.95204085 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2_000013.nwi b/data/h2co/system/h2_000013.nwi deleted file mode 100644 index 82163f1..0000000 --- a/data/h2co/system/h2_000013.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "h2_000013_dat" - -permanent_dir ./h2_000013_dat - -scratch_dir ./h2_000013_dat - -start h2_000013_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.30995915 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.85204085 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2_000014.nwi b/data/h2co/system/h2_000014.nwi deleted file mode 100644 index 4246365..0000000 --- a/data/h2co/system/h2_000014.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "h2_000014_dat" - -permanent_dir ./h2_000014_dat - -scratch_dir ./h2_000014_dat - -start h2_000014_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.30995915 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.75204085 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2_000015.nwi b/data/h2co/system/h2_000015.nwi deleted file mode 100644 index 2209b2e..0000000 --- a/data/h2co/system/h2_000015.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "h2_000015_dat" - -permanent_dir ./h2_000015_dat - -scratch_dir ./h2_000015_dat - -start h2_000015_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.30995915 - H 6.1500000000000004e+00 6.9409999999999998e+00 8.65204085 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2co-unfolded.pdb b/data/h2co/system/h2co-unfolded.pdb deleted file mode 100644 index 2fb7eac..0000000 --- a/data/h2co/system/h2co-unfolded.pdb +++ /dev/null @@ -1,7 +0,0 @@ -HETATM 1 C1 FAL A 1 5.482 6.030 6.624 1.00 1.00 C -HETATM 2 C2 FAL A 1 6.187 5.994 7.941 1.00 1.00 C -HETATM 3 H1 FAL A 1 5.968 6.020 4.831 1.00 1.00 H -HETATM 4 H2 FAL A 1 5.849 6.872 8.521 1.00 1.00 H -HETATM 5 H3 FAL A 1 5.794 5.125 8.499 1.00 1.00 H -HETATM 6 H4 FAL A 1 7.292 5.959 7.893 1.00 1.00 H -HETATM 7 O FAL A 1 6.426 5.999 5.690 1.00 1.00 O diff --git a/data/h2co/system/h2o2_000000.nwi b/data/h2co/system/h2o2_000000.nwi deleted file mode 100644 index efbfbe8..0000000 --- a/data/h2co/system/h2o2_000000.nwi +++ /dev/null @@ -1,35 +0,0 @@ -echo - -title "h2o2_000000_dat" - -permanent_dir ./h2o2_000000_dat - -scratch_dir ./h2o2_000000_dat - -start h2o2_000000_dat - -geometry units angstrom nocenter noautosym noautoz - symmetry c1 - H 6.14999780 6.22934439 6.47993244 - O 6.15000234 7.02749362 7.03410455 - O 6.15000200 6.35448589 8.34151561 - H 6.14999786 7.15267611 8.89567734 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2o3_000000.nwi b/data/h2co/system/h2o3_000000.nwi deleted file mode 100644 index c22b11e..0000000 --- a/data/h2co/system/h2o3_000000.nwi +++ /dev/null @@ -1,35 +0,0 @@ -echo - -title "h2o3_000000_dat" - -permanent_dir ./h2o3_000000_dat - -scratch_dir ./h2o3_000000_dat - -start h2o3_000000_dat - -geometry units angstrom nocenter noautosym noautoz - H 6.15399943 5.83275335 8.51458983 - O 6.15400050 6.56520373 7.87153582 - O 6.15400035 5.74649211 6.67336420 - O 6.15400016 6.79308752 5.66849399 - H 6.15399956 6.20802643 4.88899773 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2o3_000001.nwi b/data/h2co/system/h2o3_000001.nwi deleted file mode 100644 index 4b27ab2..0000000 --- a/data/h2co/system/h2o3_000001.nwi +++ /dev/null @@ -1,35 +0,0 @@ -echo - -title "h2o3_000001_dat" - -permanent_dir ./h2o3_000001_dat - -scratch_dir ./h2o3_000001_dat - -start h2o3_000001_dat - -geometry units angstrom nocenter noautosym noautoz - H 6.15399943 5.83275335 8.51458983 - O 6.15400050 6.56520373 7.97153582 - O 6.15400035 5.74649211 6.67336420 - O 6.15400016 6.79308752 5.66849399 - H 6.15399956 6.20802643 4.88899773 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2o3_000002.nwi b/data/h2co/system/h2o3_000002.nwi deleted file mode 100644 index dc4ec23..0000000 --- a/data/h2co/system/h2o3_000002.nwi +++ /dev/null @@ -1,35 +0,0 @@ -echo - -title "h2o3_000002_dat" - -permanent_dir ./h2o3_000002_dat - -scratch_dir ./h2o3_000002_dat - -start h2o3_000002_dat - -geometry units angstrom nocenter noautosym noautoz - H 6.15399943 5.83275335 8.51458983 - O 6.15400050 6.56520373 7.67153582 - O 6.15400035 5.74649211 6.67336420 - O 6.15400016 6.79308752 5.66849399 - H 6.15399956 6.20802643 4.88899773 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2o3_000010.nwi b/data/h2co/system/h2o3_000010.nwi deleted file mode 100644 index cb37e7b..0000000 --- a/data/h2co/system/h2o3_000010.nwi +++ /dev/null @@ -1,35 +0,0 @@ -echo - -title "h2o3_000010_dat" - -permanent_dir ./h2o3_000010_dat - -scratch_dir ./h2o3_000010_dat - -start h2o3_000010_dat - -geometry units angstrom nocenter noautosym noautoz - H 6.15399943 5.83275335 8.51458983 - O 6.15400050 6.76520373 7.87153582 - O 6.15400035 5.74649211 6.67336420 - O 6.15400016 6.79308752 5.66849399 - H 6.15399956 6.20802643 4.88899773 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2o3_000020.nwi b/data/h2co/system/h2o3_000020.nwi deleted file mode 100644 index 56a79b0..0000000 --- a/data/h2co/system/h2o3_000020.nwi +++ /dev/null @@ -1,35 +0,0 @@ -echo - -title "h2o3_000020_dat" - -permanent_dir ./h2o3_000020_dat - -scratch_dir ./h2o3_000020_dat - -start h2o3_000020_dat - -geometry units angstrom nocenter noautosym noautoz - H 6.15399943 5.83275335 8.51458983 - O 6.15400050 6.36520373 7.87153582 - O 6.15400035 5.74649211 6.67336420 - O 6.15400016 6.79308752 5.66849399 - H 6.15399956 6.20802643 4.88899773 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2o3_000100.nwi b/data/h2co/system/h2o3_000100.nwi deleted file mode 100644 index 5bced38..0000000 --- a/data/h2co/system/h2o3_000100.nwi +++ /dev/null @@ -1,35 +0,0 @@ -echo - -title "h2o3_000100_dat" - -permanent_dir ./h2o3_000100_dat - -scratch_dir ./h2o3_000100_dat - -start h2o3_000100_dat - -geometry units angstrom nocenter noautosym noautoz - H 6.15399943 5.83275335 8.51458983 - O 6.35400050 6.56520373 7.87153582 - O 6.15400035 5.74649211 6.67336420 - O 6.15400016 6.79308752 5.66849399 - H 6.15399956 6.20802643 4.88899773 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/h2o3_000200.nwi b/data/h2co/system/h2o3_000200.nwi deleted file mode 100644 index 83bcf3b..0000000 --- a/data/h2co/system/h2o3_000200.nwi +++ /dev/null @@ -1,35 +0,0 @@ -echo - -title "h2o3_000200_dat" - -permanent_dir ./h2o3_000200_dat - -scratch_dir ./h2o3_000200_dat - -start h2o3_000200_dat - -geometry units angstrom nocenter noautosym noautoz - H 6.15399943 5.83275335 8.51458983 - O 5.95400050 6.56520373 7.87153582 - O 6.15400035 5.74649211 6.67336420 - O 6.15400016 6.79308752 5.66849399 - H 6.15399956 6.20802643 4.88899773 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/models/train-1/compress.json b/data/h2co/system/models/train-1/compress.json deleted file mode 100644 index bee6e17..0000000 --- a/data/h2co/system/models/train-1/compress.json +++ /dev/null @@ -1,135 +0,0 @@ -{ - "model": { - "type_map": [ - "c", - "h", - "o" - ], - "descriptor": { - "type": "se_e2_a", - "sel": [ - 4, - 4, - 4 - ], - "rcut_smth": 3.0, - "rcut": 6.0, - "neuron": [ - 32, - 32, - 64, - 128 - ], - "axis_neuron": 16, - "activation_function": "tanh", - "resnet_dt": false, - "type_one_side": false, - "precision": "default", - "trainable": true, - "exclude_types": [], - "set_davg_zero": false - }, - "fitting_net": { - "neuron": [ - 240, - 240, - 240 - ], - "resnet_dt": true, - "type": "ener", - "numb_fparam": 0, - "numb_aparam": 0, - "activation_function": "tanh", - "precision": "default", - "trainable": true, - "rcond": null, - "atom_ener": [], - "use_aparam_as_mask": false - }, - "data_stat_nbatch": 10, - "data_stat_protect": 0.01, - "data_bias_nsample": 10, - "srtab_add_bias": true, - "type": "standard", - "compress": { - "model_file": "model.pb", - "min_nbor_dist": 0.30611268695843163, - "table_config": [ - 5, - 0.01, - 0.1, - -1 - ], - "type": "se_e2_a" - } - }, - "learning_rate": { - "start_lr": 0.002, - "decay_steps": 500, - "scale_by_worker": "linear", - "type": "exp", - "stop_lr": 1e-08 - }, - "loss": { - "start_pref_e": 0.02, - "limit_pref_e": 1, - "start_pref_f": 1000, - "limit_pref_f": 1, - "start_pref_v": 0, - "limit_pref_v": 0, - "type": "ener", - "start_pref_ae": 0.0, - "limit_pref_ae": 0.0, - "start_pref_pf": 0.0, - "limit_pref_pf": 0.0, - "enable_atom_ener_coeff": false, - "start_pref_gf": 0.0, - "limit_pref_gf": 0.0, - "numb_generalized_coord": 0 - }, - "training": { - "disp_file": "lcurve.out", - "disp_freq": 2000, - "save_freq": 20000, - "save_ckpt": "model-compression/model.ckpt", - "validation_data": { - "systems": [ - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_c1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h1c1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h2", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h2c1o1" - ], - "batch_size": "auto", - "set_prefix": "set", - "auto_prob": "prob_sys_size", - "sys_probs": null, - "numb_btch": 1 - }, - "training_data": { - "systems": [ - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_c1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_c1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h2", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h1c1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h2c1o1" - ], - "batch_size": "auto", - "set_prefix": "set", - "auto_prob": "prob_sys_size", - "sys_probs": null - }, - "numb_steps": 200000, - "disp_training": true, - "time_training": true, - "profiling": false, - "profiling_file": "timeline.json", - "enable_profiler": false, - "tensorboard": false, - "tensorboard_log_dir": "log", - "tensorboard_freq": 1 - } -} \ No newline at end of file diff --git a/data/h2co/system/models/train-1/lcurve.out b/data/h2co/system/models/train-1/lcurve.out deleted file mode 100644 index 755ce91..0000000 --- a/data/h2co/system/models/train-1/lcurve.out +++ /dev/null @@ -1,88 +0,0 @@ -# step rmse_val rmse_trn rmse_e_val rmse_e_trn rmse_f_val rmse_f_trn lr -# If there is no available reference data, rmse_*_{val,trn} will print nan - 0 2.79e+03 1.75e+02 3.03e+00 3.00e+00 8.82e+01 5.52e+00 2.0e-03 - 2000 1.20e+03 2.16e+03 1.75e+01 4.98e+00 4.04e+01 7.27e+01 1.8e-03 - 4000 1.13e+03 2.54e+01 1.41e+00 5.27e+01 4.02e+01 0.00e+00 1.6e-03 - 6000 6.64e+02 6.81e+02 1.57e+00 2.80e+00 2.52e+01 2.59e+01 1.4e-03 - 8000 1.58e+02 2.64e+01 1.81e+01 4.18e+01 6.33e+00 0.00e+00 1.2e-03 - 10000 9.49e+02 1.83e+02 2.99e+00 4.52e+00 4.07e+01 7.84e+00 1.1e-03 - 12000 3.54e+02 1.14e+03 1.93e+00 4.41e+00 1.62e+01 5.21e+01 9.6e-04 - 14000 1.31e+02 4.85e+02 1.52e+01 2.33e+00 6.31e+00 2.35e+01 8.5e-04 - 16000 8.19e+02 2.12e+02 1.22e+01 1.07e+00 4.21e+01 1.09e+01 7.5e-04 - 18000 1.06e+02 6.19e+01 9.03e-01 2.21e+00 5.83e+00 3.38e+00 6.7e-04 - 20000 1.10e+02 6.20e+02 1.10e+01 3.16e+00 6.33e+00 3.61e+01 5.9e-04 - 22000 7.46e+02 4.43e+02 2.38e+00 2.97e+00 4.61e+01 2.74e+01 5.2e-04 - 24000 4.18e+02 8.36e-01 2.65e+00 9.50e-01 2.74e+01 0.00e+00 4.6e-04 - 26000 5.72e+01 2.78e+02 2.74e-01 4.21e+00 3.99e+00 1.94e+01 4.1e-04 - 28000 7.86e+01 5.83e+01 2.12e-01 3.26e+00 5.83e+00 4.30e+00 3.6e-04 - 30000 2.24e+02 1.08e+02 1.70e+00 1.49e+00 1.76e+01 8.51e+00 3.2e-04 - 32000 7.27e+01 5.21e+01 5.75e+00 1.68e+00 6.05e+00 4.35e+00 2.8e-04 - 34000 7.17e+01 3.86e+01 7.41e+00 2.69e+00 6.32e+00 3.40e+00 2.5e-04 - 36000 6.17e+01 6.19e+01 6.75e-02 1.32e+00 5.83e+00 5.84e+00 2.2e-04 - 38000 3.98e+01 4.41e+02 1.90e+00 5.21e+00 3.99e+00 4.42e+01 2.0e-04 - 40000 5.47e+01 5.31e+02 6.58e-01 7.03e+00 5.83e+00 5.66e+01 1.7e-04 - 42000 5.15e+01 2.42e+01 1.07e+00 1.50e+00 5.83e+00 2.72e+00 1.5e-04 - 44000 4.84e+01 7.97e+02 5.79e-02 9.25e+00 5.83e+00 9.59e+01 1.4e-04 - 46000 2.27e+02 1.28e-01 2.98e+00 1.32e-01 2.90e+01 0.00e+00 1.2e-04 - 48000 4.04e+01 5.75e+02 3.42e+00 8.18e+00 5.45e+00 7.79e+01 1.1e-04 - 50000 4.31e+01 3.18e-01 6.06e+00 3.25e-01 6.09e+00 0.00e+00 9.5e-05 - 52000 2.62e+01 2.50e-03 2.94e+00 2.55e-03 3.96e+00 0.00e+00 8.4e-05 - 54000 7.44e+02 5.69e+01 3.14e+00 4.17e+00 1.21e+02 9.14e+00 7.4e-05 - 56000 7.61e+02 9.40e+01 1.93e+01 4.10e+00 1.31e+02 1.61e+01 6.6e-05 - 58000 3.57e+01 4.63e+01 6.57e+00 7.53e-01 6.30e+00 8.46e+00 5.8e-05 - 60000 2.51e+02 4.38e+01 3.59e+00 8.21e-01 4.86e+01 8.47e+00 5.1e-05 - 62000 1.93e+01 6.34e-02 1.75e+00 6.42e-02 3.93e+00 0.00e+00 4.5e-05 - 64000 1.81e+01 9.29e+01 1.68e+00 1.88e+00 3.91e+00 2.02e+01 4.0e-05 - 66000 4.64e+02 5.15e+01 2.73e+01 2.02e+00 1.07e+02 1.19e+01 3.6e-05 - 68000 1.63e+01 1.93e+02 1.73e+00 5.25e+00 3.93e+00 4.71e+01 3.2e-05 - 70000 1.96e+01 7.53e+01 1.34e-01 4.59e+00 5.07e+00 1.93e+01 2.8e-05 - 72000 5.41e+01 8.65e+00 1.28e+00 1.05e+00 1.48e+01 2.30e+00 2.5e-05 - 74000 1.64e+02 1.89e+01 3.37e+00 1.21e+00 4.76e+01 5.44e+00 2.2e-05 - 76000 2.61e+02 1.06e+01 3.04e+01 3.86e+00 7.89e+01 2.22e+00 1.9e-05 - 78000 2.38e+02 1.35e-01 3.10e+01 1.36e-01 7.57e+01 0.00e+00 1.7e-05 - 80000 3.15e+01 5.92e+01 6.63e+00 1.74e+00 1.03e+01 2.02e+01 1.5e-05 - 82000 5.71e+00 6.59e+00 1.55e+00 1.37e+00 1.90e+00 2.16e+00 1.3e-05 - 84000 4.01e+01 6.58e+00 1.71e+00 1.41e+00 1.52e+01 2.26e+00 1.2e-05 - 86000 1.35e+02 1.52e+01 2.36e+00 9.99e-01 5.41e+01 6.02e+00 1.1e-05 - 88000 1.68e+02 1.33e+01 3.25e+01 1.43e+00 6.81e+01 5.49e+00 9.3e-06 - 90000 1.13e+01 8.90e+00 2.91e-01 3.12e+00 4.98e+00 2.82e+00 8.2e-06 - 92000 6.83e+01 8.77e+00 2.19e+00 9.65e-01 3.17e+01 3.97e+00 7.3e-06 - 94000 5.50e+00 4.79e+00 1.80e+00 6.07e-01 2.38e+00 2.29e+00 6.4e-06 - 96000 4.46e+01 1.84e+01 3.16e+00 1.84e+00 2.25e+01 9.28e+00 5.7e-06 - 98000 3.40e+00 1.22e+01 2.09e+00 2.94e+00 9.09e-01 5.67e+00 5.1e-06 - 100000 6.28e+01 4.17e+01 1.71e+00 1.47e+00 3.49e+01 2.31e+01 4.5e-06 - 102000 1.30e+02 1.65e+01 3.40e+01 1.85e+00 7.01e+01 9.41e+00 4.0e-06 - 104000 6.42e+01 1.76e+01 3.22e+00 6.97e+00 3.85e+01 6.48e+00 3.5e-06 - 106000 8.78e+00 8.80e+00 7.41e-01 1.32e+00 5.46e+00 5.25e+00 3.1e-06 - 108000 4.67e+01 4.77e+00 2.44e+00 1.24e+00 3.02e+01 2.65e+00 2.7e-06 - 110000 2.57e+01 3.47e+00 6.20e+00 1.11e+00 1.63e+01 1.79e+00 2.4e-06 - 112000 5.22e+01 1.84e+01 3.58e+00 7.85e+00 3.59e+01 6.70e+00 2.2e-06 - 114000 1.13e+02 4.48e+00 3.46e+01 1.49e+00 7.33e+01 2.39e+00 1.9e-06 - 116000 5.58e+01 6.27e+00 1.90e+00 1.96e+00 4.10e+01 3.61e+00 1.7e-06 - 118000 1.09e+02 3.66e-04 3.48e+01 3.66e-04 7.34e+01 0.00e+00 1.5e-06 - 120000 7.10e+00 8.84e-04 9.15e-01 8.85e-04 5.42e+00 0.00e+00 1.3e-06 - 122000 1.05e+02 5.24e+00 3.49e+01 1.29e+00 7.38e+01 3.63e+00 1.2e-06 - 124000 2.32e+01 6.22e+00 6.13e+00 2.64e+00 1.74e+01 2.68e+00 1.0e-06 - 126000 2.29e+01 6.54e+00 6.12e+00 1.86e+00 1.75e+01 4.46e+00 9.1e-07 - 128000 6.93e+01 3.99e+00 3.51e+00 9.40e-01 5.82e+01 2.97e+00 8.1e-07 - 130000 3.80e+00 8.41e+00 2.23e+00 3.03e+00 1.83e+00 5.01e+00 7.2e-07 - 132000 1.70e+01 6.00e+00 1.88e+00 1.26e+00 1.45e+01 4.74e+00 6.3e-07 - 134000 6.27e+00 9.49e+01 9.99e-01 6.86e+00 5.40e+00 8.30e+01 5.6e-07 - 136000 4.03e+00 2.30e+00 2.19e+00 5.58e-01 2.30e+00 1.80e+00 5.0e-07 - 138000 6.96e+01 5.27e+01 3.66e+00 4.19e+00 6.27e+01 4.71e+01 4.4e-07 - 140000 1.30e+01 5.70e+00 1.52e+00 1.31e+00 1.16e+01 4.63e+00 3.9e-07 - 142000 2.14e+01 5.56e+00 6.11e+00 1.57e+00 1.81e+01 4.23e+00 3.4e-07 - 144000 3.73e+01 4.26e+00 3.67e+00 1.89e+00 3.40e+01 1.84e+00 3.0e-07 - 146000 6.19e+01 1.83e-03 1.47e+00 1.83e-03 5.81e+01 0.00e+00 2.7e-07 - 148000 2.11e+01 2.53e-05 6.10e+00 2.53e-05 1.82e+01 0.00e+00 2.4e-07 - 150000 4.35e+00 3.57e+00 2.07e+00 1.26e+00 3.06e+00 2.40e+00 2.1e-07 - 152000 6.38e+01 1.70e+00 1.41e+00 1.17e+00 6.10e+01 3.67e-01 1.9e-07 - 154000 3.20e+01 1.06e-04 3.41e+00 1.06e-04 3.01e+01 0.00e+00 1.7e-07 - 156000 2.08e+01 8.69e+01 6.10e+00 6.34e+00 1.82e+01 8.30e+01 1.5e-07 - 158000 9.19e+01 3.44e+00 3.50e+01 9.72e-01 7.50e+01 2.75e+00 1.3e-07 - 160000 6.62e+01 4.79e+00 1.98e+00 9.67e-01 6.43e+01 4.26e+00 1.1e-07 - 162000 5.72e+00 1.67e+01 1.03e+00 1.41e+00 5.39e+00 1.61e+01 1.0e-07 - 164000 2.06e+01 2.59e+00 6.09e+00 7.91e-01 1.83e+01 2.01e+00 9.0e-08 - 166000 4.55e+00 3.48e-05 1.98e+00 3.48e-05 3.52e+00 0.00e+00 8.0e-08 - 168000 4.58e+00 9.84e+01 1.98e+00 8.95e+00 3.57e+00 9.59e+01 7.0e-08 - 170000 2.81e+01 8.53e+01 3.30e+00 6.35e+00 2.69e+01 8.30e+01 6.2e-08 diff --git a/data/h2co/system/models/train-1/model.pb b/data/h2co/system/models/train-1/model.pb deleted file mode 100644 index 6664edb..0000000 Binary files a/data/h2co/system/models/train-1/model.pb and /dev/null differ diff --git a/data/h2co/system/models/train-2/compress.json b/data/h2co/system/models/train-2/compress.json deleted file mode 100644 index bee6e17..0000000 --- a/data/h2co/system/models/train-2/compress.json +++ /dev/null @@ -1,135 +0,0 @@ -{ - "model": { - "type_map": [ - "c", - "h", - "o" - ], - "descriptor": { - "type": "se_e2_a", - "sel": [ - 4, - 4, - 4 - ], - "rcut_smth": 3.0, - "rcut": 6.0, - "neuron": [ - 32, - 32, - 64, - 128 - ], - "axis_neuron": 16, - "activation_function": "tanh", - "resnet_dt": false, - "type_one_side": false, - "precision": "default", - "trainable": true, - "exclude_types": [], - "set_davg_zero": false - }, - "fitting_net": { - "neuron": [ - 240, - 240, - 240 - ], - "resnet_dt": true, - "type": "ener", - "numb_fparam": 0, - "numb_aparam": 0, - "activation_function": "tanh", - "precision": "default", - "trainable": true, - "rcond": null, - "atom_ener": [], - "use_aparam_as_mask": false - }, - "data_stat_nbatch": 10, - "data_stat_protect": 0.01, - "data_bias_nsample": 10, - "srtab_add_bias": true, - "type": "standard", - "compress": { - "model_file": "model.pb", - "min_nbor_dist": 0.30611268695843163, - "table_config": [ - 5, - 0.01, - 0.1, - -1 - ], - "type": "se_e2_a" - } - }, - "learning_rate": { - "start_lr": 0.002, - "decay_steps": 500, - "scale_by_worker": "linear", - "type": "exp", - "stop_lr": 1e-08 - }, - "loss": { - "start_pref_e": 0.02, - "limit_pref_e": 1, - "start_pref_f": 1000, - "limit_pref_f": 1, - "start_pref_v": 0, - "limit_pref_v": 0, - "type": "ener", - "start_pref_ae": 0.0, - "limit_pref_ae": 0.0, - "start_pref_pf": 0.0, - "limit_pref_pf": 0.0, - "enable_atom_ener_coeff": false, - "start_pref_gf": 0.0, - "limit_pref_gf": 0.0, - "numb_generalized_coord": 0 - }, - "training": { - "disp_file": "lcurve.out", - "disp_freq": 2000, - "save_freq": 20000, - "save_ckpt": "model-compression/model.ckpt", - "validation_data": { - "systems": [ - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_c1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h1c1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h2", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h2c1o1" - ], - "batch_size": "auto", - "set_prefix": "set", - "auto_prob": "prob_sys_size", - "sys_probs": null, - "numb_btch": 1 - }, - "training_data": { - "systems": [ - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_c1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_c1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h2", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h1c1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h2c1o1" - ], - "batch_size": "auto", - "set_prefix": "set", - "auto_prob": "prob_sys_size", - "sys_probs": null - }, - "numb_steps": 200000, - "disp_training": true, - "time_training": true, - "profiling": false, - "profiling_file": "timeline.json", - "enable_profiler": false, - "tensorboard": false, - "tensorboard_log_dir": "log", - "tensorboard_freq": 1 - } -} \ No newline at end of file diff --git a/data/h2co/system/models/train-2/lcurve.out b/data/h2co/system/models/train-2/lcurve.out deleted file mode 100644 index 78b1c94..0000000 --- a/data/h2co/system/models/train-2/lcurve.out +++ /dev/null @@ -1,89 +0,0 @@ -# step rmse_val rmse_trn rmse_e_val rmse_e_trn rmse_f_val rmse_f_trn lr -# If there is no available reference data, rmse_*_{val,trn} will print nan - 0 1.01e+03 4.49e+01 3.40e+00 8.96e-01 3.21e+01 1.42e+00 2.0e-03 - 2000 7.06e+02 4.85e+02 3.87e+00 1.94e+00 2.37e+01 1.63e+01 1.8e-03 - 4000 5.26e+00 2.96e+03 1.34e+00 8.06e+00 1.85e-01 1.06e+02 1.6e-03 - 6000 2.88e+02 1.62e+03 3.20e+00 5.17e+00 1.09e+01 6.15e+01 1.4e-03 - 8000 9.46e+01 1.28e+03 1.32e+01 4.85e+00 3.79e+00 5.15e+01 1.2e-03 - 10000 2.11e+02 2.08e+02 1.49e-01 1.79e+00 9.07e+00 8.90e+00 1.1e-03 - 12000 9.18e+02 2.10e+03 5.31e+00 1.53e+01 4.18e+01 9.59e+01 9.6e-04 - 14000 5.35e+02 2.31e+01 2.07e+00 3.03e+01 2.59e+01 0.00e+00 8.5e-04 - 16000 1.97e+01 3.15e+02 3.72e+00 6.05e+00 9.89e-01 1.62e+01 7.5e-04 - 18000 9.08e+02 2.49e+01 6.52e+00 3.04e+01 4.97e+01 0.00e+00 6.7e-04 - 20000 1.26e+02 1.51e+00 1.23e+01 1.79e+00 7.26e+00 0.00e+00 5.9e-04 - 22000 2.20e+02 9.46e+02 9.99e-01 4.22e+00 1.36e+01 5.85e+01 5.2e-04 - 24000 2.95e+02 1.30e+02 1.29e+01 1.34e+00 1.93e+01 8.55e+00 4.6e-04 - 26000 5.62e+01 1.96e+02 1.12e+00 1.12e+00 3.92e+00 1.37e+01 4.1e-04 - 28000 6.59e+02 2.41e-02 5.63e+00 2.66e-02 4.88e+01 0.00e+00 3.6e-04 - 30000 2.16e+02 4.42e+02 2.13e+00 8.81e+00 1.70e+01 3.48e+01 3.2e-04 - 32000 3.82e+01 2.84e+02 9.68e+00 1.80e+00 3.02e+00 2.38e+01 2.8e-04 - 34000 5.92e+02 2.70e+02 6.16e+00 2.23e+00 5.26e+01 2.40e+01 2.5e-04 - 36000 4.47e+02 5.47e+00 4.93e+00 5.80e+00 4.22e+01 0.00e+00 2.2e-04 - 38000 5.66e+01 3.86e+02 9.39e+00 9.42e+00 5.54e+00 3.87e+01 2.0e-04 - 40000 3.75e+01 9.00e+02 1.75e+00 9.72e+00 3.99e+00 9.59e+01 1.7e-04 - 42000 1.85e+02 1.93e+02 3.08e+00 2.30e+00 2.10e+01 2.19e+01 1.5e-04 - 44000 3.38e+01 4.23e+01 4.67e+00 2.06e+00 3.99e+00 5.06e+00 1.4e-04 - 46000 4.26e+01 4.66e+01 1.11e+00 3.44e+00 5.43e+00 5.89e+00 1.2e-04 - 48000 4.31e+01 1.97e+02 2.14e+00 3.84e+00 5.83e+00 2.68e+01 1.1e-04 - 50000 2.77e+01 2.93e+01 9.76e-01 3.20e+00 3.99e+00 4.12e+00 9.5e-05 - 52000 3.61e+02 4.11e+01 4.21e+00 4.84e+00 5.52e+01 6.11e+00 8.4e-05 - 54000 5.54e+01 7.69e+01 5.25e+00 6.74e+00 8.91e+00 1.23e+01 7.4e-05 - 56000 2.45e+01 2.98e+02 8.68e-01 4.70e+00 4.21e+00 5.13e+01 6.6e-05 - 58000 1.62e+02 5.60e+01 4.84e+00 3.92e+00 2.96e+01 1.01e+01 5.8e-05 - 60000 1.75e+02 2.64e+02 2.90e+00 4.72e+00 3.39e+01 5.12e+01 5.1e-05 - 62000 1.82e+02 2.90e+02 3.60e+00 5.53e+00 3.73e+01 5.94e+01 4.5e-05 - 64000 8.58e+00 2.84e+01 1.01e+00 3.31e+00 1.84e+00 6.01e+00 4.0e-05 - 66000 1.75e+01 3.30e+02 2.05e+00 8.13e+00 3.99e+00 7.60e+01 3.6e-05 - 68000 4.37e+01 3.83e+01 6.49e+00 4.37e+00 1.04e+01 9.11e+00 3.2e-05 - 70000 1.57e+01 1.74e+01 2.12e+00 3.87e+00 3.99e+00 4.02e+00 2.8e-05 - 72000 1.49e+01 5.15e-02 2.14e+00 5.18e-02 3.99e+00 0.00e+00 2.5e-05 - 74000 1.40e+01 1.88e+01 1.99e+00 2.39e+00 3.99e+00 5.26e+00 2.2e-05 - 76000 8.64e+01 4.51e+01 3.77e+00 3.59e+00 2.64e+01 1.36e+01 1.9e-05 - 78000 1.76e+02 5.53e+01 5.32e+00 5.56e+00 5.69e+01 1.75e+01 1.7e-05 - 80000 1.80e+02 1.28e-01 4.37e+00 1.29e-01 6.13e+01 0.00e+00 1.5e-05 - 82000 1.63e+01 3.25e+01 1.43e+00 3.14e+00 5.83e+00 1.15e+01 1.3e-05 - 84000 1.36e+02 1.28e+02 4.74e+00 6.91e+00 5.15e+01 4.82e+01 1.2e-05 - 86000 4.98e+02 5.64e+01 5.20e+00 2.82e+00 1.99e+02 2.24e+01 1.1e-05 - 88000 9.87e+00 3.22e+01 1.88e+00 2.10e+00 4.00e+00 1.34e+01 9.3e-06 - 90000 6.88e+01 1.14e+01 3.42e+00 3.16e+00 3.03e+01 4.20e+00 8.2e-06 - 92000 1.62e+02 1.84e+01 4.31e+00 8.40e-01 7.53e+01 8.54e+00 7.3e-06 - 94000 8.53e+00 9.72e+00 2.03e+00 3.21e+00 3.91e+00 3.55e+00 6.4e-06 - 96000 2.30e+01 8.67e+00 1.46e+00 1.82e+00 1.17e+01 4.01e+00 5.7e-06 - 98000 2.20e+01 7.05e+00 5.39e+00 1.38e+00 1.10e+01 3.61e+00 5.1e-06 - 100000 8.58e+01 6.49e+00 3.76e+00 1.28e+00 4.75e+01 3.46e+00 4.5e-06 - 102000 7.10e+00 6.48e+00 1.46e+00 2.38e+00 3.94e+00 2.55e+00 4.0e-06 - 104000 9.70e+00 8.44e+00 5.86e-01 2.90e+00 5.83e+00 3.70e+00 3.5e-06 - 106000 5.64e+01 2.59e+01 3.43e+00 1.85e+00 3.50e+01 1.61e+01 3.1e-06 - 108000 2.76e+00 7.86e+01 1.73e+00 4.97e+00 8.28e-01 5.06e+01 2.7e-06 - 110000 1.22e+02 1.10e+02 4.43e+00 7.32e+00 8.20e+01 7.36e+01 2.4e-06 - 112000 8.80e+00 7.00e+00 1.83e+00 2.42e+00 5.84e+00 3.52e+00 2.2e-06 - 114000 6.03e+00 1.11e+01 1.75e+00 1.47e+00 3.94e+00 7.64e+00 1.9e-06 - 116000 5.04e+01 2.22e+01 3.51e+00 1.75e+00 3.68e+01 1.61e+01 1.7e-06 - 118000 1.62e+01 3.15e+01 1.95e+00 2.58e+00 1.21e+01 2.35e+01 1.5e-06 - 120000 1.76e+01 9.87e+00 6.61e+00 4.47e+00 1.16e+01 3.25e+00 1.3e-06 - 122000 7.34e+00 7.77e+00 3.17e-01 2.13e+00 5.83e+00 5.17e+00 1.2e-06 - 124000 1.58e+02 6.29e+00 4.00e+00 2.19e+00 1.28e+02 3.67e+00 1.0e-06 - 126000 7.05e+00 4.75e+00 3.23e-01 2.05e+00 5.83e+00 1.98e+00 9.1e-07 - 128000 5.25e+00 6.58e+00 1.70e+00 1.87e+00 3.94e+00 4.56e+00 8.1e-07 - 130000 5.20e+00 1.00e+01 1.73e+00 8.48e-01 3.94e+00 8.54e+00 7.2e-07 - 132000 4.24e+01 5.90e+01 4.08e+00 4.36e+00 3.63e+01 5.09e+01 6.3e-07 - 134000 2.33e+02 7.24e+00 2.84e+00 2.41e+00 2.06e+02 4.78e+00 5.6e-07 - 136000 2.06e+01 2.62e+01 2.09e+00 1.57e+00 1.82e+01 2.33e+01 5.0e-07 - 138000 1.60e+02 1.79e+01 2.82e+00 1.63e+00 1.45e+02 1.61e+01 4.4e-07 - 140000 3.40e+01 8.57e+00 3.93e+00 3.71e+00 3.02e+01 3.92e+00 3.9e-07 - 142000 1.53e+01 4.34e+00 6.92e+00 1.83e+00 1.09e+01 2.15e+00 3.4e-07 - 144000 1.65e+01 6.27e+00 2.08e+00 2.62e+00 1.52e+01 3.20e+00 3.0e-07 - 146000 6.22e+00 5.27e+00 3.09e-01 2.25e+00 5.83e+00 2.57e+00 2.7e-07 - 148000 4.86e+00 8.97e+00 1.77e+00 4.25e+00 3.94e+00 2.72e+00 2.4e-07 - 150000 1.41e+01 6.06e+00 2.05e+00 2.12e+00 1.31e+01 4.12e+00 2.1e-07 - 152000 7.98e+01 6.71e+00 3.79e+00 1.64e+00 7.59e+01 5.60e+00 1.9e-07 - 154000 4.24e+01 8.97e+00 3.40e+00 8.47e-01 4.02e+01 8.54e+00 1.7e-07 - 156000 6.05e+00 5.33e+00 3.04e-01 2.25e+00 5.83e+00 2.77e+00 1.5e-07 - 158000 8.35e+01 1.88e+01 3.47e+00 3.96e+00 8.06e+01 1.65e+01 1.3e-07 - 160000 1.48e+01 6.85e+00 6.99e+00 3.23e+00 1.07e+01 2.20e+00 1.1e-07 - 162000 2.86e+01 3.91e+00 3.80e+00 1.35e+00 2.69e+01 3.33e+00 1.0e-07 - 164000 1.02e+01 5.03e+00 1.99e+00 2.15e+00 9.59e+00 2.54e+00 9.0e-08 - 166000 9.82e+00 6.91e+00 1.98e+00 2.89e+00 9.23e+00 3.73e+00 8.0e-08 - 168000 4.74e+00 8.29e+00 1.79e+00 3.72e+00 3.94e+00 3.59e+00 7.0e-08 - 170000 9.15e+00 6.64e+00 1.97e+00 1.91e+00 8.58e+00 5.35e+00 6.2e-08 - 172000 8.85e+00 6.88e+01 1.97e+00 6.20e+00 8.29e+00 6.68e+01 5.5e-08 diff --git a/data/h2co/system/models/train-2/model.pb b/data/h2co/system/models/train-2/model.pb deleted file mode 100644 index 948cb48..0000000 Binary files a/data/h2co/system/models/train-2/model.pb and /dev/null differ diff --git a/data/h2co/system/models/train-3/compress.json b/data/h2co/system/models/train-3/compress.json deleted file mode 100644 index bee6e17..0000000 --- a/data/h2co/system/models/train-3/compress.json +++ /dev/null @@ -1,135 +0,0 @@ -{ - "model": { - "type_map": [ - "c", - "h", - "o" - ], - "descriptor": { - "type": "se_e2_a", - "sel": [ - 4, - 4, - 4 - ], - "rcut_smth": 3.0, - "rcut": 6.0, - "neuron": [ - 32, - 32, - 64, - 128 - ], - "axis_neuron": 16, - "activation_function": "tanh", - "resnet_dt": false, - "type_one_side": false, - "precision": "default", - "trainable": true, - "exclude_types": [], - "set_davg_zero": false - }, - "fitting_net": { - "neuron": [ - 240, - 240, - 240 - ], - "resnet_dt": true, - "type": "ener", - "numb_fparam": 0, - "numb_aparam": 0, - "activation_function": "tanh", - "precision": "default", - "trainable": true, - "rcond": null, - "atom_ener": [], - "use_aparam_as_mask": false - }, - "data_stat_nbatch": 10, - "data_stat_protect": 0.01, - "data_bias_nsample": 10, - "srtab_add_bias": true, - "type": "standard", - "compress": { - "model_file": "model.pb", - "min_nbor_dist": 0.30611268695843163, - "table_config": [ - 5, - 0.01, - 0.1, - -1 - ], - "type": "se_e2_a" - } - }, - "learning_rate": { - "start_lr": 0.002, - "decay_steps": 500, - "scale_by_worker": "linear", - "type": "exp", - "stop_lr": 1e-08 - }, - "loss": { - "start_pref_e": 0.02, - "limit_pref_e": 1, - "start_pref_f": 1000, - "limit_pref_f": 1, - "start_pref_v": 0, - "limit_pref_v": 0, - "type": "ener", - "start_pref_ae": 0.0, - "limit_pref_ae": 0.0, - "start_pref_pf": 0.0, - "limit_pref_pf": 0.0, - "enable_atom_ener_coeff": false, - "start_pref_gf": 0.0, - "limit_pref_gf": 0.0, - "numb_generalized_coord": 0 - }, - "training": { - "disp_file": "lcurve.out", - "disp_freq": 2000, - "save_freq": 20000, - "save_ckpt": "model-compression/model.ckpt", - "validation_data": { - "systems": [ - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_c1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h1c1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h2", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h2c1o1" - ], - "batch_size": "auto", - "set_prefix": "set", - "auto_prob": "prob_sys_size", - "sys_probs": null, - "numb_btch": 1 - }, - "training_data": { - "systems": [ - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_c1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_c1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h2", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h1c1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h2c1o1" - ], - "batch_size": "auto", - "set_prefix": "set", - "auto_prob": "prob_sys_size", - "sys_probs": null - }, - "numb_steps": 200000, - "disp_training": true, - "time_training": true, - "profiling": false, - "profiling_file": "timeline.json", - "enable_profiler": false, - "tensorboard": false, - "tensorboard_log_dir": "log", - "tensorboard_freq": 1 - } -} \ No newline at end of file diff --git a/data/h2co/system/models/train-3/lcurve.out b/data/h2co/system/models/train-3/lcurve.out deleted file mode 100644 index 6796b6f..0000000 --- a/data/h2co/system/models/train-3/lcurve.out +++ /dev/null @@ -1,88 +0,0 @@ -# step rmse_val rmse_trn rmse_e_val rmse_e_trn rmse_f_val rmse_f_trn lr -# If there is no available reference data, rmse_*_{val,trn} will print nan - 0 1.23e+03 6.13e+01 1.77e+00 2.28e+00 3.90e+01 1.94e+00 2.0e-03 - 2000 1.73e+02 2.58e+02 1.33e+00 1.33e+00 5.83e+00 8.66e+00 1.8e-03 - 4000 5.07e+02 4.63e+02 4.28e+00 8.08e+00 1.81e+01 1.65e+01 1.6e-03 - 6000 9.66e+01 1.37e+03 6.10e+00 5.72e+00 3.66e+00 5.19e+01 1.4e-03 - 8000 8.70e+02 1.25e+03 4.53e+00 4.31e+00 3.51e+01 5.06e+01 1.2e-03 - 10000 1.86e+02 6.62e+02 1.40e+01 2.94e+00 7.94e+00 2.84e+01 1.1e-03 - 12000 1.41e+02 3.39e+02 2.36e+01 3.78e+00 6.33e+00 1.54e+01 9.6e-04 - 14000 1.32e+02 1.78e+03 1.82e+01 8.53e+00 6.32e+00 8.61e+01 8.5e-04 - 16000 5.61e+01 1.42e+02 1.82e+00 2.63e+00 2.89e+00 7.33e+00 7.5e-04 - 18000 5.29e+01 1.54e+03 6.25e-01 8.82e+00 2.90e+00 8.42e+01 6.7e-04 - 20000 1.69e+03 2.17e+02 3.44e+00 1.45e+00 9.82e+01 1.26e+01 5.9e-04 - 22000 5.29e+02 3.90e+02 4.26e+00 9.51e+00 3.27e+01 2.40e+01 5.2e-04 - 24000 7.75e+01 2.27e-01 8.34e-01 2.58e-01 5.09e+00 0.00e+00 4.6e-04 - 26000 7.00e+02 1.45e+01 3.77e+00 1.62e+01 4.88e+01 0.00e+00 4.1e-04 - 28000 8.28e+01 1.13e+02 1.26e+00 2.60e+00 6.14e+00 8.38e+00 3.6e-04 - 30000 5.03e+01 1.43e+02 1.01e+00 4.19e+00 3.96e+00 1.13e+01 3.2e-04 - 32000 3.75e+02 5.48e+01 1.10e+01 3.05e+00 3.14e+01 4.57e+00 2.8e-04 - 34000 3.23e+02 6.45e+00 3.74e+00 6.89e+00 2.87e+01 0.00e+00 2.5e-04 - 36000 3.59e+02 1.31e+02 4.26e+00 2.39e+00 3.40e+01 1.24e+01 2.2e-04 - 38000 5.04e+01 2.02e+02 3.01e+00 3.64e+00 5.04e+00 2.03e+01 2.0e-04 - 40000 4.34e+01 3.68e+02 3.06e+01 5.66e+00 1.37e+00 3.92e+01 1.7e-04 - 42000 3.12e+01 3.18e+01 3.63e+00 4.86e+00 3.49e+00 3.45e+00 1.5e-04 - 44000 2.94e+02 5.23e+02 4.27e+00 1.65e+01 3.53e+01 6.28e+01 1.4e-04 - 46000 4.40e+01 7.51e+02 2.48e+00 9.12e+00 5.60e+00 9.59e+01 1.2e-04 - 48000 3.20e+01 9.43e+01 3.21e+00 4.66e+00 4.29e+00 1.27e+01 1.1e-04 - 50000 4.94e+02 3.25e+01 5.82e+00 2.83e+00 7.11e+01 4.62e+00 9.5e-05 - 52000 1.70e+02 4.01e+01 5.94e+00 3.26e+00 2.60e+01 6.05e+00 8.4e-05 - 54000 9.41e+01 1.25e+02 2.14e+00 6.71e+00 1.53e+01 2.02e+01 7.4e-05 - 56000 3.28e+01 1.68e-02 1.57e+00 1.71e-02 5.64e+00 0.00e+00 6.6e-05 - 58000 3.51e+01 1.81e+01 5.24e+00 5.60e+00 6.27e+00 2.61e+00 5.8e-05 - 60000 2.28e+01 3.44e+01 1.62e+01 2.45e+00 5.18e-01 6.60e+00 5.1e-05 - 62000 2.14e+01 2.60e+01 1.39e+01 8.51e+00 1.79e+00 4.08e+00 4.5e-05 - 64000 1.09e+02 1.13e+01 2.45e+00 1.70e+00 2.37e+01 2.41e+00 4.0e-05 - 66000 2.21e+01 4.16e+02 1.16e+01 9.15e+00 3.48e+00 9.59e+01 3.6e-05 - 68000 2.67e+01 2.14e+01 4.85e+00 1.91e+00 6.30e+00 5.13e+00 3.2e-05 - 70000 1.40e+02 9.59e+00 7.24e+00 2.91e+00 3.61e+01 1.98e+00 2.8e-05 - 72000 2.41e+01 3.95e-02 5.01e+00 3.97e-02 6.30e+00 0.00e+00 2.5e-05 - 74000 7.23e+01 3.74e-02 3.94e+00 3.76e-02 2.08e+01 0.00e+00 2.2e-05 - 76000 2.89e+01 8.99e+00 1.30e+01 3.08e+00 6.85e+00 2.01e+00 1.9e-05 - 78000 2.08e+01 1.46e+02 5.34e+00 5.30e+00 6.29e+00 4.72e+01 1.7e-05 - 80000 3.11e+01 5.69e+00 1.48e+01 1.60e+00 7.86e+00 1.61e+00 1.5e-05 - 82000 6.94e+01 4.70e+00 4.41e+00 1.04e+00 2.48e+01 1.52e+00 1.3e-05 - 84000 1.81e+01 9.29e+01 5.21e+00 8.09e+00 6.28e+00 3.47e+01 1.2e-05 - 86000 3.63e+00 1.32e-02 1.73e+00 1.32e-02 1.07e+00 0.00e+00 1.1e-05 - 88000 3.39e+00 1.34e+01 1.74e+00 4.93e+00 9.85e-01 3.81e+00 9.3e-06 - 90000 1.61e+01 7.12e+00 5.35e+00 1.21e+00 6.28e+00 2.96e+00 8.2e-06 - 92000 1.55e+01 4.30e+01 5.32e+00 3.12e+00 6.29e+00 1.99e+01 7.3e-06 - 94000 3.16e+00 7.66e+00 1.92e+00 3.44e+00 7.92e-01 1.66e+00 6.4e-06 - 96000 3.56e+00 1.38e+01 1.68e+00 3.48e+00 1.35e+00 6.09e+00 5.7e-06 - 98000 1.42e+01 9.98e+00 5.64e+00 2.34e+00 6.29e+00 4.70e+00 5.1e-06 - 100000 1.70e+02 6.31e+00 2.71e+00 2.87e+00 9.46e+01 1.46e+00 4.5e-06 - 102000 3.18e+01 5.68e+00 4.70e+00 2.66e+00 1.76e+01 1.18e+00 4.0e-06 - 104000 5.44e+01 4.67e+00 4.43e+00 1.73e+00 3.23e+01 1.89e+00 3.5e-06 - 106000 4.77e+01 1.84e+01 2.57e+01 4.08e+00 1.94e+01 1.03e+01 3.1e-06 - 108000 1.25e+01 4.72e+00 5.60e+00 2.07e+00 6.29e+00 1.48e+00 2.7e-06 - 110000 7.12e+01 6.84e-03 4.20e+00 6.84e-03 4.75e+01 0.00e+00 2.4e-06 - 112000 1.21e+01 8.71e+00 5.64e+00 4.18e+00 6.29e+00 1.73e+00 2.2e-06 - 114000 7.36e+00 1.35e+02 1.44e+00 9.07e+00 5.07e+00 9.59e+01 1.9e-06 - 116000 1.15e+01 9.74e+00 5.49e+00 3.51e+00 6.29e+00 4.98e+00 1.7e-06 - 118000 5.47e+01 6.97e+00 3.06e+01 3.11e+00 2.54e+01 2.39e+00 1.5e-06 - 120000 6.40e+00 3.89e-02 2.69e+00 3.89e-02 3.99e+00 0.00e+00 1.3e-06 - 122000 6.43e+00 5.10e+00 1.41e+00 2.30e+00 4.86e+00 1.73e+00 1.2e-06 - 124000 5.76e+01 2.37e+00 3.28e+01 1.55e+00 2.78e+01 7.28e-01 1.0e-06 - 126000 4.84e+01 2.65e+00 3.54e+00 1.03e+00 3.97e+01 1.39e+00 9.1e-07 - 128000 7.35e+01 4.36e+01 6.92e+00 7.47e+00 6.09e+01 3.45e+01 8.1e-07 - 130000 3.62e+01 2.43e+00 3.42e+00 1.62e+00 3.05e+01 7.20e-01 7.2e-07 - 132000 5.80e+00 4.40e+00 1.44e+00 1.85e+00 4.73e+00 2.06e+00 6.3e-07 - 134000 6.09e+01 1.87e+01 3.53e+01 3.39e+00 3.09e+01 1.54e+01 5.6e-07 - 136000 5.61e+00 3.53e+00 1.42e+00 1.63e+00 4.69e+00 1.22e+00 5.0e-07 - 138000 6.20e+01 4.62e+00 3.60e+01 2.05e+00 3.19e+01 1.92e+00 4.4e-07 - 140000 3.96e+01 2.21e+01 3.65e+00 2.96e+00 3.56e+01 1.99e+01 3.9e-07 - 142000 6.92e+01 4.98e+00 7.10e+00 1.13e+00 6.26e+01 4.09e+00 3.4e-07 - 144000 5.85e+00 8.57e+00 2.82e+00 4.19e+00 3.99e+00 1.67e+00 3.0e-07 - 146000 3.24e+01 1.16e+01 3.29e+00 2.01e+00 2.98e+01 1.02e+01 2.7e-07 - 148000 1.04e+01 5.08e+00 5.67e+00 2.28e+00 6.30e+00 2.09e+00 2.4e-07 - 150000 3.63e+01 3.56e+00 4.57e+00 1.34e+00 3.34e+01 2.22e+00 2.1e-07 - 152000 6.44e+01 2.88e+01 3.77e+01 3.71e+00 3.45e+01 2.66e+01 1.9e-07 - 154000 1.04e+01 9.28e+00 5.70e+00 4.54e+00 6.30e+00 1.83e+00 1.7e-07 - 156000 6.48e+01 3.72e+01 6.64e+00 6.19e+00 6.12e+01 3.38e+01 1.5e-07 - 158000 1.03e+01 5.52e+00 5.69e+00 2.12e+00 6.30e+00 3.42e+00 1.3e-07 - 160000 1.03e+01 4.44e+00 5.69e+00 1.44e+00 6.30e+00 3.28e+00 1.1e-07 - 162000 5.11e+00 1.06e+01 1.38e+00 5.06e+00 4.61e+00 3.06e+00 1.0e-07 - 164000 6.55e+01 5.45e+00 3.85e+01 1.42e+00 3.57e+01 4.56e+00 9.0e-08 - 166000 5.09e+00 3.45e+00 1.40e+00 1.49e+00 4.59e+00 1.70e+00 8.0e-08 - 168000 2.51e+01 3.43e+00 2.91e+00 1.42e+00 2.40e+01 1.89e+00 7.0e-08 - 170000 7.02e+01 5.45e+00 6.96e+00 2.16e+00 6.78e+01 3.27e+00 6.2e-08 diff --git a/data/h2co/system/models/train-3/model.pb b/data/h2co/system/models/train-3/model.pb deleted file mode 100644 index b21d6a7..0000000 Binary files a/data/h2co/system/models/train-3/model.pb and /dev/null differ diff --git a/data/h2co/system/models/train-4/compress.json b/data/h2co/system/models/train-4/compress.json deleted file mode 100644 index bee6e17..0000000 --- a/data/h2co/system/models/train-4/compress.json +++ /dev/null @@ -1,135 +0,0 @@ -{ - "model": { - "type_map": [ - "c", - "h", - "o" - ], - "descriptor": { - "type": "se_e2_a", - "sel": [ - 4, - 4, - 4 - ], - "rcut_smth": 3.0, - "rcut": 6.0, - "neuron": [ - 32, - 32, - 64, - 128 - ], - "axis_neuron": 16, - "activation_function": "tanh", - "resnet_dt": false, - "type_one_side": false, - "precision": "default", - "trainable": true, - "exclude_types": [], - "set_davg_zero": false - }, - "fitting_net": { - "neuron": [ - 240, - 240, - 240 - ], - "resnet_dt": true, - "type": "ener", - "numb_fparam": 0, - "numb_aparam": 0, - "activation_function": "tanh", - "precision": "default", - "trainable": true, - "rcond": null, - "atom_ener": [], - "use_aparam_as_mask": false - }, - "data_stat_nbatch": 10, - "data_stat_protect": 0.01, - "data_bias_nsample": 10, - "srtab_add_bias": true, - "type": "standard", - "compress": { - "model_file": "model.pb", - "min_nbor_dist": 0.30611268695843163, - "table_config": [ - 5, - 0.01, - 0.1, - -1 - ], - "type": "se_e2_a" - } - }, - "learning_rate": { - "start_lr": 0.002, - "decay_steps": 500, - "scale_by_worker": "linear", - "type": "exp", - "stop_lr": 1e-08 - }, - "loss": { - "start_pref_e": 0.02, - "limit_pref_e": 1, - "start_pref_f": 1000, - "limit_pref_f": 1, - "start_pref_v": 0, - "limit_pref_v": 0, - "type": "ener", - "start_pref_ae": 0.0, - "limit_pref_ae": 0.0, - "start_pref_pf": 0.0, - "limit_pref_pf": 0.0, - "enable_atom_ener_coeff": false, - "start_pref_gf": 0.0, - "limit_pref_gf": 0.0, - "numb_generalized_coord": 0 - }, - "training": { - "disp_file": "lcurve.out", - "disp_freq": 2000, - "save_freq": 20000, - "save_ckpt": "model-compression/model.ckpt", - "validation_data": { - "systems": [ - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_c1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h1c1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h2", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/validate_mol_h2c1o1" - ], - "batch_size": "auto", - "set_prefix": "set", - "auto_prob": "prob_sys_size", - "sys_probs": null, - "numb_btch": 1 - }, - "training_data": { - "systems": [ - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_c1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_c1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h2", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h1c1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h1o1", - "/direct/sdcc+u/hvandam/DeepDriveMD-pipeline/deepdrivemd/models/deepmd/../../sim/nwchem/test_dir/training_mol_h2c1o1" - ], - "batch_size": "auto", - "set_prefix": "set", - "auto_prob": "prob_sys_size", - "sys_probs": null - }, - "numb_steps": 200000, - "disp_training": true, - "time_training": true, - "profiling": false, - "profiling_file": "timeline.json", - "enable_profiler": false, - "tensorboard": false, - "tensorboard_log_dir": "log", - "tensorboard_freq": 1 - } -} \ No newline at end of file diff --git a/data/h2co/system/models/train-4/lcurve.out b/data/h2co/system/models/train-4/lcurve.out deleted file mode 100644 index 43b890a..0000000 --- a/data/h2co/system/models/train-4/lcurve.out +++ /dev/null @@ -1,87 +0,0 @@ -# step rmse_val rmse_trn rmse_e_val rmse_e_trn rmse_f_val rmse_f_trn lr -# If there is no available reference data, rmse_*_{val,trn} will print nan - 0 1.16e+03 5.98e+01 2.73e+00 1.63e+00 3.65e+01 1.89e+00 2.0e-03 - 2000 1.48e+02 2.54e+02 7.73e+00 1.56e+01 4.96e+00 8.53e+00 1.8e-03 - 4000 1.12e+02 3.13e+02 8.41e+00 3.18e+00 3.99e+00 1.12e+01 1.6e-03 - 6000 1.54e+02 2.26e+02 3.47e+00 2.38e+00 5.83e+00 8.58e+00 1.4e-03 - 8000 7.27e+02 4.33e+02 2.31e+00 3.15e+00 2.93e+01 1.75e+01 1.2e-03 - 10000 7.17e+02 1.89e+02 2.50e+00 1.47e+00 3.08e+01 8.11e+00 1.1e-03 - 12000 3.16e+02 4.45e+02 2.68e+00 4.54e+00 1.44e+01 2.03e+01 9.6e-04 - 14000 1.21e+03 4.15e+00 2.23e+00 5.43e+00 5.85e+01 0.00e+00 8.5e-04 - 16000 3.30e+01 3.28e+02 2.87e-01 8.43e+00 1.70e+00 1.69e+01 7.5e-04 - 18000 6.04e+02 1.74e+02 3.27e+00 3.41e+00 3.30e+01 9.51e+00 6.7e-04 - 20000 1.15e+03 3.58e+02 2.99e+00 2.63e+00 6.66e+01 2.08e+01 5.9e-04 - 22000 5.55e+02 1.93e+00 3.55e+00 2.24e+00 3.43e+01 0.00e+00 5.2e-04 - 24000 8.88e+01 1.26e+02 2.17e+00 2.60e+00 5.83e+00 8.28e+00 4.6e-04 - 26000 3.72e+01 2.87e+02 1.53e-01 5.96e+00 2.60e+00 2.00e+01 4.1e-04 - 28000 2.62e+01 1.12e+02 1.38e-01 2.02e+00 1.95e+00 8.31e+00 3.6e-04 - 30000 1.32e+02 6.06e+01 2.88e+00 2.64e+00 1.04e+01 4.76e+00 3.2e-04 - 32000 4.77e+01 6.18e+01 4.88e-01 2.19e+00 3.99e+00 5.16e+00 2.8e-04 - 34000 5.51e+01 6.81e+02 5.74e+00 1.41e+01 4.86e+00 6.05e+01 2.5e-04 - 36000 5.40e+02 1.67e+02 4.24e+00 7.27e+00 5.10e+01 1.58e+01 2.2e-04 - 38000 4.61e+02 9.56e+02 3.56e+00 9.70e+00 4.63e+01 9.59e+01 2.0e-04 - 40000 3.82e+02 5.33e+02 4.14e+00 1.06e+01 4.07e+01 5.68e+01 1.7e-04 - 42000 8.82e+01 6.03e+01 6.57e+00 3.67e+00 9.94e+00 6.78e+00 1.5e-04 - 44000 4.40e+02 1.31e-02 5.13e+00 1.36e-02 5.29e+01 0.00e+00 1.4e-04 - 46000 4.72e+01 1.76e-01 8.29e+00 1.82e-01 5.85e+00 0.00e+00 1.2e-04 - 48000 3.08e+02 2.25e+02 4.53e+00 3.15e+00 4.17e+01 3.06e+01 1.1e-04 - 50000 5.16e+02 2.48e+01 5.59e+00 2.93e+00 7.43e+01 3.47e+00 9.5e-05 - 52000 2.46e+02 3.82e-02 4.21e+00 3.91e-02 3.76e+01 0.00e+00 8.4e-05 - 54000 3.63e+01 3.31e+01 3.69e+00 3.72e+00 5.83e+00 5.23e+00 7.4e-05 - 56000 2.49e+01 2.07e-02 7.77e+00 2.11e-02 3.86e+00 0.00e+00 6.6e-05 - 58000 4.75e+02 5.25e+02 5.47e+00 9.24e+00 8.67e+01 9.59e+01 5.8e-05 - 60000 6.03e+01 4.27e+01 6.72e+00 1.98e+00 1.15e+01 8.23e+00 5.1e-05 - 62000 1.96e+01 1.83e+01 2.10e+00 2.61e+00 3.99e+00 3.62e+00 4.5e-05 - 64000 1.21e+01 6.31e+01 7.09e+00 1.01e+01 1.52e+00 1.30e+01 4.0e-05 - 66000 2.87e+02 4.79e+01 5.09e+00 2.85e+00 6.62e+01 1.10e+01 3.6e-05 - 68000 9.20e+00 2.45e+01 6.23e+00 2.94e+00 7.01e-01 5.81e+00 3.2e-05 - 70000 1.92e+02 1.43e+01 3.63e+00 1.99e+00 4.95e+01 3.56e+00 2.8e-05 - 72000 2.16e+01 8.06e+00 2.45e+00 2.57e+00 5.83e+00 1.71e+00 2.5e-05 - 74000 2.03e+01 1.60e+01 1.92e+00 3.75e+00 5.83e+00 4.11e+00 2.2e-05 - 76000 2.46e+02 1.75e+01 3.26e+00 2.57e+00 7.53e+01 5.12e+00 1.9e-05 - 78000 1.81e+01 3.68e+01 1.03e+00 6.83e+00 5.83e+00 1.11e+01 1.7e-05 - 80000 3.21e+01 1.33e+01 6.10e+00 2.74e+00 1.06e+01 4.16e+00 1.5e-05 - 82000 2.10e+02 7.53e+01 4.46e+00 4.12e+00 7.55e+01 2.70e+01 1.3e-05 - 84000 9.20e+00 7.38e+00 5.70e+00 3.12e+00 1.70e+00 1.51e+00 1.2e-05 - 86000 9.27e+00 4.90e+00 5.77e+00 1.96e+00 1.78e+00 1.18e+00 1.1e-05 - 88000 9.12e+00 5.67e+00 5.67e+00 1.13e+00 1.84e+00 2.19e+00 9.3e-06 - 90000 9.82e+00 1.23e+01 2.76e+00 1.74e+00 3.99e+00 5.23e+00 8.2e-06 - 92000 3.21e+01 6.98e+00 5.65e+00 2.18e+00 1.44e+01 2.53e+00 7.3e-06 - 94000 1.35e+02 8.55e+00 3.84e+00 3.70e+00 6.57e+01 2.10e+00 6.4e-06 - 96000 1.38e+02 4.72e+00 3.54e+00 2.00e+00 7.04e+01 1.28e+00 5.7e-06 - 98000 1.26e+02 1.94e+01 4.87e+00 1.82e+00 6.67e+01 1.01e+01 5.1e-06 - 100000 8.02e+00 3.82e+00 2.53e+00 1.31e+00 3.99e+00 1.55e+00 4.5e-06 - 102000 8.29e+00 2.24e-03 5.14e+00 2.25e-03 2.32e+00 0.00e+00 4.0e-06 - 104000 7.46e+00 4.28e+00 2.42e+00 1.64e+00 4.00e+00 1.66e+00 3.5e-06 - 106000 3.00e+01 3.24e+01 5.99e+00 2.05e+00 1.80e+01 2.02e+01 3.1e-06 - 108000 7.99e+00 4.13e+01 4.97e+00 2.93e+00 2.47e+00 2.65e+01 2.7e-06 - 110000 8.18e+00 3.75e+00 9.18e-01 1.64e+00 5.43e+00 1.22e+00 2.4e-06 - 112000 7.49e+01 5.92e+00 2.27e+00 1.58e+00 5.19e+01 3.47e+00 2.2e-06 - 114000 8.09e+00 3.76e+00 5.08e+00 1.47e+00 2.67e+00 1.68e+00 1.9e-06 - 116000 6.68e+01 3.14e+00 2.74e+00 7.35e-01 4.91e+01 2.04e+00 1.7e-06 - 118000 5.67e+01 9.03e+00 3.77e+00 2.22e+00 4.26e+01 5.96e+00 1.5e-06 - 120000 6.33e+00 1.31e+01 2.59e+00 1.22e+00 4.01e+00 9.99e+00 1.3e-06 - 122000 7.92e+00 5.52e+00 5.01e+00 2.50e+00 2.80e+00 1.86e+00 1.2e-06 - 124000 6.71e+01 2.01e+01 4.17e+00 2.24e+00 5.41e+01 1.61e+01 1.0e-06 - 126000 7.82e+00 1.03e+01 4.96e+00 8.07e-01 2.88e+00 8.45e+00 9.1e-07 - 128000 2.39e+01 4.12e+00 5.26e+00 1.87e+00 1.92e+01 1.45e+00 8.1e-07 - 130000 7.10e+01 2.38e+01 2.26e+00 2.12e+00 6.08e+01 2.02e+01 7.2e-07 - 132000 2.33e+01 6.82e+01 5.19e+00 7.53e+00 1.92e+01 5.87e+01 6.3e-07 - 134000 7.70e+00 3.62e+00 4.88e+00 1.37e+00 3.03e+00 2.08e+00 5.6e-07 - 136000 2.28e+01 3.42e+00 5.18e+00 1.52e+00 1.94e+01 1.42e+00 5.0e-07 - 138000 4.86e+00 2.93e+00 7.87e-01 1.20e+00 4.28e+00 1.53e+00 4.4e-07 - 140000 5.65e+00 3.80e-03 2.51e+00 3.80e-03 4.02e+00 0.00e+00 3.9e-07 - 142000 2.23e+01 1.16e+01 5.13e+00 1.48e+00 1.95e+01 1.04e+01 3.4e-07 - 144000 5.56e+01 6.12e+01 1.90e+00 7.51e+00 5.17e+01 5.61e+01 3.0e-07 - 146000 5.58e+00 6.15e+00 2.53e+00 1.93e+00 4.02e+00 4.50e+00 2.7e-07 - 148000 4.10e+00 6.95e+00 8.11e-01 2.53e+00 3.72e+00 4.52e+00 2.4e-07 - 150000 4.02e+00 5.23e-04 8.14e-01 5.23e-04 3.66e+00 0.00e+00 2.1e-07 - 152000 3.89e+00 3.69e+01 8.14e-01 7.86e+00 3.56e+00 3.19e+01 1.9e-07 - 154000 2.17e+01 5.41e+00 5.07e+00 1.98e+00 1.97e+01 3.54e+00 1.7e-07 - 156000 6.38e+01 4.99e+00 4.36e+00 1.77e+00 6.10e+01 3.40e+00 1.5e-07 - 158000 3.57e+00 1.07e+01 8.18e-01 1.63e+00 3.27e+00 9.86e+00 1.3e-07 - 160000 3.49e+00 4.40e+00 8.26e-01 2.02e+00 3.20e+00 1.69e+00 1.1e-07 - 162000 7.56e+00 3.64e+01 4.71e+00 8.05e+00 3.49e+00 3.19e+01 1.0e-07 - 164000 7.32e+01 3.61e+01 4.61e+00 7.80e+00 7.10e+01 3.19e+01 9.0e-08 - 166000 2.14e+01 2.08e+01 5.05e+00 2.11e+00 1.98e+01 2.02e+01 8.0e-08 - 168000 5.45e+00 5.58e+01 2.54e+00 7.48e+00 4.02e+00 5.38e+01 7.0e-08 diff --git a/data/h2co/system/models/train-4/model.pb b/data/h2co/system/models/train-4/model.pb deleted file mode 100644 index 51f1640..0000000 Binary files a/data/h2co/system/models/train-4/model.pb and /dev/null differ diff --git a/data/h2co/system/o1_000000.nwi b/data/h2co/system/o1_000000.nwi deleted file mode 100644 index fb360a1..0000000 --- a/data/h2co/system/o1_000000.nwi +++ /dev/null @@ -1,32 +0,0 @@ -echo - -title "o1_000000_dat" - -permanent_dir ./o1_000000_dat - -scratch_dir ./o1_000000_dat - -start o1_000000_dat - -geometry units angstrom nocenter noautosym noautoz - O 6.1539999999999999e+00 6.0430000000000001e+00 7.6760000000000002e+00 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 3 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/o2_000000.nwi b/data/h2co/system/o2_000000.nwi deleted file mode 100644 index e91c258..0000000 --- a/data/h2co/system/o2_000000.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "o2_000000_dat" - -permanent_dir ./o2_000000_dat - -scratch_dir ./o2_000000_dat - -start o2_000000_dat - -geometry units angstrom nocenter noautosym noautoz - O 6.1539999999999999e+00 6.0430000000000001e+00 7.6760000000000002e+00 - O 6.1539999999999999e+00 6.0430000000000001e+00 2.7260000000000002e+00 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 5 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/o2_000001.nwi b/data/h2co/system/o2_000001.nwi deleted file mode 100644 index aa2b103..0000000 --- a/data/h2co/system/o2_000001.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "o2_000001_dat" - -permanent_dir ./o2_000001_dat - -scratch_dir ./o2_000001_dat - -start o2_000001_dat - -geometry units angstrom nocenter noautosym noautoz - O 6.15400000 6.04300000 7.80658155 - O 6.15400000 6.04300000 6.59541845 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 3 - rodft - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/data/h2co/system/o3_000000.nwi b/data/h2co/system/o3_000000.nwi deleted file mode 100644 index f91f7a5..0000000 --- a/data/h2co/system/o3_000000.nwi +++ /dev/null @@ -1,33 +0,0 @@ -echo - -title "o3_000000_dat" - -permanent_dir ./o3_000000_dat - -scratch_dir ./o3_000000_dat - -start o3_000000_dat - -geometry units angstrom nocenter noautosym noautoz - O 6.15400000 6.18339795 7.81488873 - O 6.15400000 5.71243687 6.63901843 - O 6.15400000 6.53316518 5.67409284 -end - -basis noprint - * library cc-pvdz -end - -dft - xc scan - mult 1 - direct - maxiter 500 - mulliken - noprint "final vectors analysis" -end - - - -task dft gradient - diff --git a/ddmd/__init__.py b/ddmd/__init__.py new file mode 100644 index 0000000..b2af1b9 --- /dev/null +++ b/ddmd/__init__.py @@ -0,0 +1,12 @@ +from __future__ import annotations + +from .ddmd_manager import DDMD_manager +from .logger import Logger +from .pipelines.dummy_learner import DummyWorkflow + + +__all__ = [ + "DDMD_manager", + "Logger", + "DummyWorkflow", +] diff --git a/ddmd/ddmd_manager.py b/ddmd/ddmd_manager.py new file mode 100644 index 0000000..483cc38 --- /dev/null +++ b/ddmd/ddmd_manager.py @@ -0,0 +1,300 @@ +#!/usr/bin/env python3 +# ------------------------------------------------------------------------------ +# Async-friendly DDMD manager for orchestrating simulations +# ------------------------------------------------------------------------------ + +import asyncio +from collections import OrderedDict +from rose import Learner +from ddmd.logger import Logger + + +class DDMD_manager: + """ + Orchestrates the scheduling, monitoring, and cancellation of simulations + in an AI-steered ensemble simulation workflow. + """ + + def __init__(self, asyncflow): + self.learner = Learner(asyncflow) + self.logger = Logger(use_colors=True) + self.registered_sims = OrderedDict() # Active simulations: {tag: asyncio.Task} + self.sim_task_queue = asyncio.Queue() # Queue of pending simulation inputs + + # Tuning parameters (should be configurable) + self.time_between_predictions = 20 # Delay between prediction checks + self.time_before_shutdown = 5 # Grace period before shutdown + + """These attributes should be defined in pipeline subclass: + Make sure they are set correctly! + - self.sim_batch_size + - self.max_sim_batch + - self.retrain_model + - self.sim_batch_size + - self.clean_unregistered_sims + _register_learner_tasks must be defined in subclass to register all learner tasks: simulation, training, active learning, prediction. + """ + + + # -------------------------------------------------------------------------- + def check_prediction(self, pred): + """ + Decide whether a simulation should be canceled based on prediction. + Override this with actual logic in pipeline subclass. + """ + raise NotImplementedError("check_prediction must be implemented") + # -------------------------------------------------------------------------- + async def collect_sim_inputs(self): + """ + Collect all simulation input files into task queue (sim_task_queue). + Override this with actual logic in pipeline subclass. + """ + raise NotImplementedError("collect_sim_inputs must be implemented") + # -------------------------------------------------------------------------- + async def check_training_data(self): + """ + Check if enough training data is available to start training. + Override this with actual logic in pipeline subclass. + """ + raise NotImplementedError("check_training_data must be implemented") + # -------------------------------------------------------------------------- + async def del_files(self, sim_ind): + """ + Delete all files associated with a simulation index (sim_ind) + if clean_unregistered_sims is set to True in pipeline subclass. + Override this with actual logic if needed. + """ + raise NotImplementedError("del_files must be implemented") + # -------------------------------------------------------------------------- + async def train_model(self): + """ + Define all step required for model training. + Override this with actual logic in pipeline subclass. + """ + raise NotImplementedError("train_model must be implemented") + + # -------------------------------------------------------------------------- + async def close(self): + """Gracefully shutdown learner.""" + try: + await self.learner.shutdown() + except Exception: + pass + + async def stop(self): + """Alias for close(), can be used for external termination.""" + try: + await self.learner.shutdown() + except Exception: + pass + + # -------------------------------------------------------------------------- + async def _unregister_sims(self, unregistered_sims, clean_unregistered_sims): + """ + Remove completed or canceled simulations from the registry, + and optionally clean up files from canceled simulations to exclude them from the training batch."** + """ + for tag in unregistered_sims: + self.registered_sims.pop(tag, None) + if clean_unregistered_sims: + #await asyncio.to_thread(self.del_files, tag) + await self.del_files(tag) + + if unregistered_sims and not self.sim_task_queue.empty(): + # Adjust next batch size (ensure it does not exceed max_sim_batch) + num_to_submit = min(self.sim_batch_size, self.sim_task_queue.qsize()) + if num_to_submit > 0: + self.logger.info( + f"{num_to_submit} simulations will start at next iteration" + ) + + # -------------------------------------------------------------------------- + async def submit_sims(self): + """Submit simulations from the queue and register them.""" + while True: + await self.monitor_sims() # Clean up completed/failed tasks + + if self.sim_task_queue.empty(): + self.logger.info("No more simulation inputs in queue.") + break + + if self.sim_batch_size <= 0: + await asyncio.sleep(1) + continue + + # Submit up to sim_batch_size items + num_to_submit = min(self.sim_batch_size, self.sim_task_queue.qsize()) + for _ in range(num_to_submit): + try: + sim_inputs = self.sim_task_queue.get_nowait() + except asyncio.QueueEmpty: + self.logger.info("No more simulation inputs in queue.") + break + + simul = self.simulation(sim_inputs=sim_inputs) + sim_tag = sim_inputs["sim_tag"] + self.logger.task_started(f"Simulation {sim_tag}") + self.registered_sims[sim_tag] = simul + + if num_to_submit > 0: + self.logger.info( + f"[DDMD] Submitted {num_to_submit} new simulation(s)" + ) + # Update sim_batch_size (subtract submitted items) + self.sim_batch_size -= num_to_submit + await asyncio.sleep(0.1) + + # -------------------------------------------------------------------------- + async def monitor_sims(self): + """Unregister completed/failed simulations and prepare next batch.""" + unregistered_sims = [] + + for sim_tag, task in self.registered_sims.items(): + if task.done(): + unregistered_sims.append(sim_tag) + self.logger.task_completed(f"Simulation {sim_tag}") + self.sim_batch_size += 1 + + if task.exception(): + self.logger.error( + f"Simulation {sim_tag} failed: {task.exception()}" + ) + await self._unregister_sims(unregistered_sims, False) + + # -------------------------------------------------------------------------- + async def monitor_training_data(self): + """Cancel sims when enough training data is available and free resources for model training.""" + while True: + try: + start_training = await self.check_training_data() + except Exception as e: + self.logger.error(f"Error while checking training data: {e}") + await asyncio.sleep(self.time_between_predictions) + continue + + if start_training and self.registered_sims: + unregistered_sims = [] + resubmitted_sims = [] + count = 0 + total_sims = len(self.registered_sims) + + self.logger.info( + f"Preparing to cancel {self.training_cores} simulations " + f"out of {total_sims} to free resources for training" + ) + + for sim_tag, task in list(self.registered_sims.items()): + if task.done(): + unregistered_sims.append(sim_tag) + else: + try: + task.cancel() + unregistered_sims.append(sim_tag) + self.logger.task_killed( + f"Cancelling {sim_tag} to start training " + f"(ROSE task ID {getattr(task, 'id', 'N/A')})" + ) + resubmitted_sims.append(sim_tag) + except Exception as e: + self.logger.error(f"Error cancelling {sim_tag}: {e}") + continue + + count += 1 + self.sim_batch_size += 1 + if count >= self.training_cores: + break + + self.logger.info(f"Cancelled {count} simulations; Training will now start.") + + # Remove canceled sims from registry + await self._unregister_sims(unregistered_sims, False) + + # Re-add canceled sims back to task queue for later rescheduling + for sim_tag in resubmitted_sims: + await self.sim_task_queue.put({'sim_tag': sim_tag}) + self.logger.info(f"Re-added {sim_tag} back to sim_task_queue") + + break # Exit loop after canceling + else: + await asyncio.sleep(self.time_between_predictions) + + # -------------------------------------------------------------------------- + async def cancel_sims(self): + """Cancel sims based on prediction results.""" + unregister_sims = [] + + for sim_tag, pred in self.sim_predictions.items(): + self.logger.info(f"{sim_tag} prediction: {pred}") + + if sim_tag not in self.registered_sims: + continue + + if self.check_prediction(prediction=pred): + task = self.registered_sims[sim_tag] + task.cancel() + unregister_sims.append(sim_tag) + self.logger.task_killed( + f"Simulation {sim_tag} canceled due to prediction score {pred} " + f"(task ID {getattr(task, 'id', 'N/A')})" + ) + self.sim_batch_size += 1 + + await self._unregister_sims(unregister_sims, self.clean_unregistered_sims) + + # -------------------------------------------------------------------------- + async def teach(self): + """ + Main event loop: + - Collects input simulations + - Submits and monitors tasks + - Cancels based on predictions + - Waits until all sims finish or queue empties + """ + + self.logger.separator("DDMD MANAGER STARTING") + await self.collect_sim_inputs() + submit_task = asyncio.create_task(self.submit_sims()) + + if not self.force_start_training: + await self.monitor_training_data() # blocks until training starts + + self.sim_batch_size -= self.training_cores # Release training resources and ensure the DDMD manager does not allocate them for simulations + + while True: + self.logger.info(f"{len(self.registered_sims)} simulation(s) running...") + #self.logger.info(f"{list(self.registered_sims.keys())}") + + # Train model if flag is set + if self.retrain_model: + await self.train_model() + else: + await asyncio.sleep(self.time_between_predictions) + + # Perform prediction + self.logger.task_started("Prediction") + sim_inds = list(self.registered_sims.keys()) + + # # ************************ + # # Use the following code to run predicions as executable + # await self.exe_prediction() + # with open(self.prediction_file, 'r') as f: + # predictions = json.load(f) + # # ************************ + + predictions = await self.prediction(sim_inds=sim_inds) + + self.sim_predictions = predictions + self.logger.info(f"[Task-Prediction] completed with {len(predictions)} results.") + + if predictions: + await self.cancel_sims() + + # Exit if no sims left + if self.sim_task_queue.empty() and len(len(self.registered_sims)) == 0: + break + + await asyncio.sleep(1) + + await submit_task + self.logger.manager_exiting() + self.logger.separator("DDMD MANAGER FINISHED") diff --git a/ddmd/logger.py b/ddmd/logger.py new file mode 100644 index 0000000..a09ffb2 --- /dev/null +++ b/ddmd/logger.py @@ -0,0 +1,161 @@ +from datetime import datetime +from enum import Enum +import sys + +class Colors: + BLACK = '\033[30m' + RED = '\033[31m' + GREEN = '\033[32m' + YELLOW = '\033[33m' + BLUE = '\033[34m' + MAGENTA = '\033[35m' + CYAN = '\033[36m' + WHITE = '\033[37m' + BRIGHT_BLACK = '\033[90m' + BRIGHT_RED = '\033[91m' + BRIGHT_GREEN = '\033[92m' + BRIGHT_YELLOW = '\033[93m' + BRIGHT_BLUE = '\033[94m' + BRIGHT_MAGENTA = '\033[95m' + BRIGHT_CYAN = '\033[96m' + BRIGHT_WHITE = '\033[97m' + RESET = '\033[0m' + BOLD = '\033[1m' + DIM = '\033[2m' + +class LogLevel(Enum): + DEBUG = "DEBUG" + INFO = "INFO" + WARNING = "WARNING" + ERROR = "ERROR" + CRITICAL = "CRITICAL" + +class Logger: + def __init__(self, name="DDMDManager", use_colors=True, output_stream=None): + self.name = name + self.use_colors = use_colors + self.output_stream = output_stream or sys.stdout + + self.level_colors = { + LogLevel.DEBUG: Colors.BRIGHT_BLACK, + LogLevel.INFO: Colors.BRIGHT_CYAN, + LogLevel.WARNING: Colors.BRIGHT_YELLOW, + LogLevel.ERROR: Colors.BRIGHT_RED, + LogLevel.CRITICAL: Colors.RED + Colors.BOLD + } + + self.component_colors = { + 'task': Colors.BRIGHT_GREEN, + #'adaptive': Colors.BRIGHT_MAGENTA, + 'manager': Colors.BRIGHT_BLUE, + 'workflow': Colors.CYAN, + 'task': Colors.YELLOW, + 'error': Colors.RED, + 'success': Colors.GREEN, + 'stage': Colors.BRIGHT_CYAN, + 'step': Colors.CYAN, + 'resource': Colors.MAGENTA, + 'data': Colors.BRIGHT_YELLOW, + 'validation': Colors.BRIGHT_MAGENTA, + 'checkpoint': Colors.BRIGHT_GREEN, + 'metric': Colors.BRIGHT_WHITE + } + + def _colorize(self, text, color): + return f"{color}{text}{Colors.RESET}" if self.use_colors else text + + def _format_message(self, level, component, message, task_name=None): + timestamp = self._colorize(datetime.now().strftime("%H:%M:%S.%f")[:-3], Colors.DIM) + colored_level = self._colorize(f"[{level.value}]", self.level_colors.get(level, Colors.WHITE)) + + # Handle task-specific components + if component.lower().startswith('task-'): + component_color = Colors.BRIGHT_GREEN + else: + component_color = self.component_colors.get(component.lower(), Colors.WHITE) + + colored_component = self._colorize(f"[{component.upper()}]", component_color) + + task_part = "" + if task_name: + task_part = f" {self._colorize(f'[{task_name}]', Colors.BRIGHT_WHITE)}" + + return f"{timestamp} {colored_level} {colored_component}{task_part} {message}" + + def _write_log(self, message, to_stderr=False): + stream = sys.stderr if to_stderr else self.output_stream + stream.write(message + '\n') + stream.flush() + + def debug(self, message, component="manager", task_name=None): + formatted = self._format_message(LogLevel.DEBUG, component, message, task_name) + self._write_log(formatted) + + def info(self, message, component="manager", task_name=None): + formatted = self._format_message(LogLevel.INFO, component, message, task_name) + self._write_log(formatted) + + def warning(self, message, component="manager", task_name=None): + formatted = self._format_message(LogLevel.WARNING, component, message, task_name) + self._write_log(formatted) + + def error(self, message, component="manager", task_name=None): + formatted = self._format_message(LogLevel.ERROR, component, message, task_name) + self._write_log(formatted, to_stderr=True) + + def critical(self, message, component="manager", task_name=None): + formatted = self._format_message(LogLevel.CRITICAL, component, message, task_name) + self._write_log(formatted, to_stderr=True) + + def task_started(self, task_name): + message = f"Task started: {self._colorize(task_name, Colors.BRIGHT_WHITE)}" + self.info(message, "manager") + + def task_completed(self, task_name): + message = f"Task completed: {self._colorize(task_name, Colors.BRIGHT_WHITE)}" + self.info(message, "manager") + + def task_killed(self, task_name): + message = f"Task killed: {self._colorize(task_name, Colors.BRIGHT_WHITE)}" + self.warning(message, "task") + + # def adaptive_started(self, task_name): + # message = f"Adaptive function started for: {self._colorize(task_name, Colors.BRIGHT_WHITE)}" + # self.info(message, "adaptive") + + # def adaptive_completed(self, task_name): + # message = f"Adaptive function completed for: {self._colorize(task_name, Colors.BRIGHT_WHITE)}" + # self.info(message, "adaptive") + + # def adaptive_failed(self, task_name, error): + # message = f"Adaptive function failed for {self._colorize(task_name, Colors.BRIGHT_WHITE)}: {error}" + # self.error(message, "adaptive") + + # def child_task_submitted(self, child_name, parent_name): + # message = f"Submitting child task: {self._colorize(child_name, Colors.BRIGHT_WHITE)} from {self._colorize(parent_name, Colors.BRIGHT_WHITE)}" + # self.info(message, "manager") + + def manager_starting(self, task_count): + message = f"Starting with {self._colorize(str(task_count), Colors.BRIGHT_WHITE)} initial tasks" + self.info(message, "manager") + + def manager_exiting(self): + self.info("All tasks finished. Exiting.", "manager") + + # def activity_summary(self, active_tasks, active_adaptive, buffered_tasks): + # summary = (f"Active: {self._colorize(str(active_tasks), Colors.BRIGHT_GREEN)} tasks, " + # f"{self._colorize(str(active_adaptive), Colors.BRIGHT_MAGENTA)} adaptive tasks, " + # f"{self._colorize(str(buffered_tasks), Colors.BRIGHT_YELLOW)} buffered") + # self.debug(summary, "manager") + + def task_log(self, message, level=LogLevel.INFO): + task_component = f"TASK-{self.name.upper()}" + formatted = self._format_message(level, task_component, message) + self._write_log(formatted, to_stderr=level in [LogLevel.ERROR, LogLevel.CRITICAL]) + + def separator(self, title=None): + if title: + separator = f"{'='*20} {title} {'='*20}" + else: + separator = "="*50 + self._write_log(self._colorize(separator, Colors.BRIGHT_BLUE)) \ No newline at end of file diff --git a/src/agents/__init__.py b/ddmd/pipelines/__init__.py similarity index 100% rename from src/agents/__init__.py rename to ddmd/pipelines/__init__.py diff --git a/ddmd/pipelines/dummy_learner.py b/ddmd/pipelines/dummy_learner.py new file mode 100644 index 0000000..b9fab3c --- /dev/null +++ b/ddmd/pipelines/dummy_learner.py @@ -0,0 +1,221 @@ +import asyncio +import os +import sys +import random +import shutil +import numpy as np +from pathlib import Path +from ddmd.ddmd_manager import DDMD_manager +from rose.metrics import MODEL_ACCURACY + + +class DummyWorkflow(DDMD_manager): + """Dummy workflow for managing DDMD simulations, training, and predictions.""" + + def __init__(self, **kwargs): + # Default home directory + home_dir = Path(kwargs.get('home_dir', Path.home() / 'DDMD')) + self.clean_dir(home_dir) # ❗Careful: deletes everything in home_dir! + + # Create workflow directories + self.sim_output_dir = self._ensure_dir(kwargs.get('sim_output_dir', home_dir / 'sim_output')) + self.sim_inputs_dir = self._ensure_dir(kwargs.get('sim_inputs_dir', home_dir / 'sim_input')) + self.train_dir = self._ensure_dir(kwargs.get('train_dir', home_dir / 'train')) + self.train_al_dir = self._ensure_dir(kwargs.get('train_al_dir', home_dir / 'train_al')) + self.val_dir = self._ensure_dir(kwargs.get('val_dir', home_dir / 'val')) + + # Simulation/training config + self.max_sim_batch = kwargs.get('max_sim_batch', 4) + self.training_cores = kwargs.get('training_cores', 1) + self.sim_batch_size = self.max_sim_batch + self.training_cores + self.training_threshold = kwargs.get('training_threshold', 0.5) + self.prediction_threshold = kwargs.get('prediction_threshold', 0.5) + self.start_training_threshold = kwargs.get('start_training_threshold', 10) + self.training_epochs = kwargs.get('training_epochs', 1) + self.force_start_training = bool(kwargs.get("force_start_training", False)) + + self.clean_unregistered_sims = bool(kwargs.get("clean_unregistered_sims", True)) + + self.iteration = 0 + self.retrain_model = self.training_epochs > 0 + self.sim_predictions = {} + + # Paths for executables and model + self.code_path = kwargs.get('code_path', f'{sys.executable} {os.getcwd()}') + self.model_filename = home_dir / 'model.pkl' + self.prediction_file = home_dir / 'predictions.json' # fixed typo ("predicions") + + # Initialize parent class (sets up asyncflow, logger, queues, etc.) + asyncflow = kwargs.get('asyncflow') + super().__init__(asyncflow) + + # Register learner tasks + self._register_learner_tasks() + num_files = kwargs.get('num_files', 500) + # Generate dummy input files + self.generate_sim_inputs(self.sim_inputs_dir, num_files=num_files) + + # -------------------------------------------------------------------------- + @staticmethod + def _ensure_dir(path): + """Create directory if it does not exist.""" + path = Path(path) + path.mkdir(parents=True, exist_ok=True) + return path + + # -------------------------------------------------------------------------- + @staticmethod + def clean_dir(dir_name): + """Delete an existing directory (used for a clean workflow run).""" + dir_path = Path(dir_name) + if dir_path.exists() and dir_path.is_dir(): + shutil.rmtree(dir_path) + + # -------------------------------------------------------------------------- + @staticmethod + def generate_sim_inputs(sim_inputs_dir, num_files: int = 5): + """ + Generate dummy input `.npz` files for simulations. + """ + sim_inputs_path = Path(sim_inputs_dir) + for i in range(num_files): + file_path = sim_inputs_path / f"input_{i}.npz" + X = np.random.rand(100, 1) # Dummy input data + np.savez(file_path, X=X) + + # -------------------------------------------------------------------------- + def check_prediction(self, *args, **kwargs): + """Return True if prediction < threshold (cancel simulation).""" + return kwargs['prediction'] < self.prediction_threshold + + # -------------------------------------------------------------------------- + async def collect_sim_inputs(self): + """Collect all simulation input files into task queue.""" + filenames = await asyncio.to_thread(lambda: list(self.sim_inputs_dir.iterdir())) + for filename in filenames: + if filename.is_file(): + sim_name = filename.stem # cleaner than split(".")[0] + sim_tag = f'sim_{sim_name}' + await self.sim_task_queue.put({'sim_tag': sim_tag}) + + # -------------------------------------------------------------------------- + async def check_training_data(self): + """Check if enough training data is available to start training.""" + total_files = 0 + for dir in self.sim_output_dir.iterdir(): + if dir.is_dir(): + # Run blocking file listing in thread pool + filenames = await asyncio.to_thread(lambda: list(dir.iterdir())) + total_files += len(filenames) + return total_files >= self.start_training_threshold + + # -------------------------------------------------------------------------- + async def del_files(self, sim_ind): + """Asynchronously delete all files associated with a simulation index (safe parallel cleanup).""" + + async def _delete_file(file_path): + try: + await asyncio.to_thread(os.remove, file_path) + except FileNotFoundError: + self.logger.warning(f"File already removed: {file_path}") + except Exception as e: + self.logger.error(f"Error deleting {file_path}: {e}") + + # Collect all deletion tasks (parallel file cleanup) + tasks = [] + for directory in [self.train_al_dir, self.train_dir, self.val_dir]: + + for filename in directory.iterdir(): + if sim_ind in filename.name: + tasks.append(_delete_file(filename)) + if tasks: + await asyncio.gather(*tasks) + + # Remove simulation output directory after files are gone + sim_dir = Path(self.sim_output_dir, sim_ind) + try: + if sim_dir.exists(): + await asyncio.to_thread(shutil.rmtree, sim_dir) + else: + self.logger.warning(f"Simulation directory already removed: {sim_dir}") + except Exception as e: + self.logger.error(f"Error deleting directory {sim_dir}: {e}") + self.logger.info(f"Removed all files related to simulation {sim_ind}") + + # -------------------------------------------------------------------------- + def _register_learner_tasks(self): + """Register learner tasks: simulation, training, active learning, prediction.""" + + @self.learner.simulation_task + async def simulation(*args, **kwargs): + sim_tag = kwargs["sim_inputs"]["sim_tag"] + args = f'--output_dir {self.sim_output_dir} --sim_tag {sim_tag}' + return f'{self.code_path}/simulation.py {args}' + self.simulation = simulation + + @self.learner.training_task + async def training(*args, **kwargs): + args = ( + f'--model_filename {self.model_filename} ' + f'--sim_output_dir {self.sim_output_dir} ' + f'--train_dir {self.train_al_dir} --val_dir {self.val_dir}' + ) + return f'{self.code_path}/train.py {args}' + self.training = training + + @self.learner.active_learn_task + async def active_learn(*args, **kwargs): + args = ( + f'--model_filename {self.model_filename} ' + f'--train_dir {self.train_dir} ' + f'--train_al_dir {self.train_al_dir}' + ) + return f'{self.code_path}/active_learn.py {args}' + self.active_learn = active_learn + + #@self.learner.prediction_task + @self.learner.utility_task + async def exe_prediction(*args, **kwargs): + args = ( + f'--model_filename {self.model_filename} ' + f'--sim_output_dir {self.sim_output_dir} ' + f'--output_file {self.prediction_file}' + ) + return f'{self.code_path}/predict.py {args}' + self.exe_prediction = exe_prediction + + #@self.learner.prediction_task(as_executable=False) # will work after UQ branch of ROSE is finalized + @self.learner.utility_task(as_executable=False) + async def prediction(*args, **kwargs): + """Dummy prediction: assign random score to each sim.""" + sim_inds = kwargs["sim_inds"] + return {sim_ind: random.random() for sim_ind in sim_inds} + self.prediction = prediction + + @self.learner.as_stop_criterion(metric_name=MODEL_ACCURACY, threshold=self.training_threshold) + async def check_accuracy(*args, **kwargs): + args = f'--model_filename {self.model_filename} --val_dir {self.val_dir}' + return f'{self.code_path}/check_accuracy.py {args}' + self.check_accuracy = check_accuracy + + # -------------------------------------------------------------------------- + async def train_model(self): + """Train until accuracy threshold is met or epochs are exhausted.""" + self.iteration += 1 + for epoch in range(self.training_epochs): + self.logger.info(f'\nTraining Iteration {self.iteration} / Epoch {epoch + 1}') + self.logger.info(f'{len(self.registered_sims)} simulation(s) running....') + + train_task = self.training() + self.logger.task_started('Training Model') + + should_stop, metric_val = await self.check_accuracy(train_task) + self.logger.task_started('Check Accuracy') + + if should_stop: + self.logger.info(f'Accuracy ({metric_val}) reached threshold → stopping training') + self.retrain_model = False + break + + await self.active_learn() + self.logger.task_started('Active Learning') diff --git a/src/agents/lof/__init__.py b/examples/__init__.py similarity index 100% rename from src/agents/lof/__init__.py rename to examples/__init__.py diff --git a/src/agents/stream/__init__.py b/examples/dummy_pipeline/__init__.py similarity index 100% rename from src/agents/stream/__init__.py rename to examples/dummy_pipeline/__init__.py diff --git a/examples/dummy_pipeline/active_learn.py b/examples/dummy_pipeline/active_learn.py new file mode 100644 index 0000000..1c9adc2 --- /dev/null +++ b/examples/dummy_pipeline/active_learn.py @@ -0,0 +1,126 @@ +import asyncio +import random +from pathlib import Path +import numpy as np +import pickle +import argparse +from typing import Union + +# Global datasets +UNLABELED_DATA = [] +LABELED_DATA = [] +LABELS = {} + +async def load_model(model_filename: Union[str, Path]): + """Load a model from a pickle file in a thread.""" + try: + return await asyncio.to_thread( + lambda: pickle.load(open(model_filename, 'rb')) + ) + except (OSError, pickle.UnpicklingError) as e: + print(f"⚠ Unable to load model from {model_filename}: {e}") + return None + +async def train_model(labeled_data, labels): + """Simulate model training.""" + await asyncio.sleep(0.5) + print(f"Trained model on {len(labeled_data)} samples") + return "model" + +async def get_uncertainty_scores(model, unlabeled_data): + """Simulate computing uncertainty scores for unlabeled samples.""" + await asyncio.sleep(0.2) + return {i: random.random() for i in range(len(unlabeled_data))} + +async def label_data(samples): + """Simulate labeling process (e.g., human annotation or simulation).""" + await asyncio.sleep(0.3) + return {s: random.choice([0, 1]) for s in samples} + +def load_unlabeled_data(train_dir: str): + """Load all .npz files from train_dir into UNLABELED_DATA.""" + global UNLABELED_DATA + train_dir = Path(train_dir) + if not train_dir.is_dir(): + raise ValueError(f"Train directory {train_dir} does not exist") + + UNLABELED_DATA = [] + for file in train_dir.iterdir(): + if file.is_file() and file.suffix == ".npz": + data = np.load(file) + X = data["X"] + UNLABELED_DATA.extend([x for x in X]) + print(f"Loaded {len(UNLABELED_DATA)} unlabeled samples from {train_dir}") + +def move_labeled_to_train_al(train_al_dir: str, sample_indices, unlabeled_data_snapshot, labels_snapshot): + """ + Move newly labeled data to train_al_dir for next training iteration. + + Args: + train_al_dir: directory to store labeled data + sample_indices: indices of the newly labeled samples in the original UNLABELED_DATA snapshot + unlabeled_data_snapshot: the UNLABELED_DATA list at the start of iteration + labels_snapshot: dictionary of labels for the newly labeled samples + """ + train_al_dir = Path(train_al_dir) + train_al_dir.mkdir(parents=True, exist_ok=True) + + for idx in sample_indices: + sample_file = train_al_dir / f"sample_{idx}.npz" + X = unlabeled_data_snapshot[idx] + y = labels_snapshot[idx] + np.savez(sample_file, X=X, y=y) + print(f"Moved {len(sample_indices)} labeled samples to {train_al_dir}") + + +async def active_learning_loop(model_filename: str, + train_dir: str, + train_al_dir: str, + iterations=5, batch_size=5)-> None: + global UNLABELED_DATA, LABELED_DATA, LABELS + + for it in range(iterations): + print(f"\n=== Iteration {it+1} ===") + + # Load model + model = await load_model(model_filename) + + # Load unlabeled data + load_unlabeled_data(train_dir) + + # Get uncertainty scores for unlabeled data + scores = await get_uncertainty_scores(model, UNLABELED_DATA) + + # Select top uncertain samples + most_uncertain = sorted(scores, key=scores.get, reverse=True)[:batch_size] + print(f"Selected samples for labeling: {most_uncertain}") + + # Label them + new_labels = await label_data(most_uncertain) + + # Take a snapshot of current UNLABELED_DATA + unlabeled_snapshot = UNLABELED_DATA.copy() + new_labels = await label_data(most_uncertain) + + # Update datasets + for s, lbl in new_labels.items(): + LABELS[s] = lbl + LABELED_DATA.append(UNLABELED_DATA[s]) + UNLABELED_DATA = [x for i, x in enumerate(UNLABELED_DATA) if i not in most_uncertain] + + # Move newly labeled data using the snapshot + move_labeled_to_train_al(train_al_dir, list(new_labels.keys()), unlabeled_snapshot, new_labels) + + + print("\nFinal labeled dataset size:", len(LABELED_DATA)) + #print("Labels:", LABELS) + + +if __name__ == "__main__": + parser = argparse.ArgumentParser(description="Select batch for the next training iteration.") + parser.add_argument('--model_filename', required=True, help='Path to model weights (pickle file)') + parser.add_argument('--train_dir', type=str, help='Path to all available training data') + parser.add_argument('--train_al_dir', type=str, help='Path to training data selected for next AL iteration') + args = parser.parse_args() + + asyncio.run(active_learning_loop(args.model_filename, args.train_dir, args.train_al_dir)) \ No newline at end of file diff --git a/examples/dummy_pipeline/anvil_CPU_sbatch.sh b/examples/dummy_pipeline/anvil_CPU_sbatch.sh new file mode 100644 index 0000000..0f71cc7 --- /dev/null +++ b/examples/dummy_pipeline/anvil_CPU_sbatch.sh @@ -0,0 +1,16 @@ +#!/bin/sh -l + +#SBATCH -A *** +#SBATCH --partition debug #wholenode +#SBATCH --nodes=1 +#SBATCH --ntasks-per-node=32 +#SBATCH --time=00:30:00 +#SBATCH --job-name ddmd_cpu +#SBATCH --mail-user=*** +#SBATCH --mail-type=ALL # When to send emails (BEGIN, END, FAIL, ALL) + +module load anaconda +source activate base +conda activate *** + +python run_dummy_pipeline.py diff --git a/examples/dummy_pipeline/check_accuracy.py b/examples/dummy_pipeline/check_accuracy.py new file mode 100644 index 0000000..a3e7983 --- /dev/null +++ b/examples/dummy_pipeline/check_accuracy.py @@ -0,0 +1,86 @@ +# check_accuracy_async.py +import pickle +from pathlib import Path +import argparse +import numpy as np +import random +import asyncio + +def dummy_mse(): + """Return a random value for testing purposes.""" + return random.random() + +async def load_model(model_filename): + """Load a pre-trained model asynchronously, return None if loading fails.""" + try: + try: + import aiofiles + async with aiofiles.open(model_filename, 'rb') as f: + data = await f.read() + except: + def _read_file(path): + with open(path, "rb") as f: + return f.read() + + data = await asyncio.to_thread(_read_file, model_filename) + # pickle.load is CPU-bound, run in a thread + return await asyncio.to_thread(pickle.loads, data) + except (OSError, pickle.UnpicklingError) as e: + #print(f"Warning: Unable to load model from {model_filename} ({e}). Using dummy MSE.") + return None + + +async def load_single_npz(file): + """Load one .npz file asynchronously.""" + try: + return await asyncio.to_thread(np.load, file) + except Exception as e: + #print(f"Warning: Failed to load {file}: {e}") + return None + + +async def load_validation_data(val_dir): + """Load all validation data from the given directory asynchronously.""" + val_path = Path(val_dir) + npz_files = [f for f in val_path.iterdir() if f.is_file() and f.suffix == '.npz'] + + # Load files concurrently + datasets = await asyncio.gather(*(load_single_npz(f) for f in npz_files)) + + X_all, y_all = [], [] + for data in datasets: + if data is not None: + X_all.append(data['X']) + y_all.append(data['y']) + + if not X_all: + return None, None + + return np.concatenate(X_all, axis=0), np.concatenate(y_all, axis=0) + + +async def check(model_filename='model.pkl', val_dir='val'): + #try: + model = await load_model(model_filename) + ##except: + # pass + X_eval, y_eval = await load_validation_data(val_dir) + + if X_eval is None or y_eval is None or len(y_eval) == 0: + mse_eval = dummy_mse() + else: + # Real model evaluation would go here: + # y_pred_eval = await asyncio.to_thread(model.predict, X_eval) + # mse_eval = mean_squared_error(y_eval, y_pred_eval) + mse_eval = dummy_mse() + + print(mse_eval) + + +if __name__ == "__main__": + parser = argparse.ArgumentParser(description="Check model accuracy against validation data (async).") + parser.add_argument('--model_filename', type=str, default='model.pkl', help='Path to model file') + parser.add_argument('--val_dir', type=str, default='val', help='Path to validation data directory') + args = parser.parse_args() + + asyncio.run(check(args.model_filename, args.val_dir)) \ No newline at end of file diff --git a/examples/dummy_pipeline/predict.py b/examples/dummy_pipeline/predict.py new file mode 100644 index 0000000..df85142 --- /dev/null +++ b/examples/dummy_pipeline/predict.py @@ -0,0 +1,130 @@ +# predict_async_limited.py +import pickle +import random +import json +import os +import numpy as np +from pathlib import Path +from sklearn.metrics import mean_squared_error +import argparse +from typing import Dict, Union +import asyncio +from asyncio import to_thread + +# Control how many files to load in parallel (tune for HPC) +MAX_CONCURRENT_FILE_LOADS = 50 + +async def async_iterdir(path: Path): + """Run Path.iterdir() in a separate thread to avoid blocking.""" + return await to_thread(list, path.iterdir()) + +async def load_model(model_filename: Union[str, Path]): + """Load a model from a pickle file in a thread.""" + try: + return await asyncio.to_thread( + lambda: pickle.load(open(model_filename, 'rb')) + ) + except (OSError, pickle.UnpicklingError) as e: + print(f"⚠ Unable to load model from {model_filename}: {e}") + return None + + +async def evaluate_npz_file(file: Path, model, sem: asyncio.Semaphore) -> float: + """Evaluate a single .npz file and return its MSE.""" + async with sem: # limit concurrent file access + try: + data = await asyncio.to_thread(np.load, file) + X_eval = data['X'] + y_eval = data['y'] + except (OSError, KeyError) as e: + print(f"⚠ Skipping corrupt file {file}: {e}") + return None + + if len(y_eval) == 0: + return None + + # Uncomment for real model prediction + # y_pred_eval = await asyncio.to_thread(model.predict, X_eval) + # mse_eval = mean_squared_error(y_eval, y_pred_eval) + mse_eval = random.random() # placeholder + return mse_eval + + +async def evaluate_simulation(sim_dir: Path, model, sem: asyncio.Semaphore) -> float: + """Evaluate a single simulation directory asynchronously.""" + tasks = [] + for file in sim_dir.iterdir(): + if file.is_file() and file.suffix == ".npz": + tasks.append(evaluate_npz_file(file, model, sem)) + + mses = await asyncio.gather(*tasks) + mses = [m for m in mses if m is not None] + return float(np.mean(mses)) if mses else float('nan') + + +async def predict( + model_filename: str, + sim_output_dir: str, + output_file: str +) -> None: + """Run prediction on all available simulations asynchronously.""" + model = await load_model(model_filename) + + sim_output_dir = Path(sim_output_dir) + results: Dict[str, float] = {} + + sem = asyncio.Semaphore(MAX_CONCURRENT_FILE_LOADS) # limit concurrency + + tasks = [] + for sim_dir in await async_iterdir(sim_output_dir): + if not sim_dir.is_dir(): + continue + + files = [f.name for f in await async_iterdir(sim_dir)] + if not files: + continue + sim_tag = sim_dir.name + sim_dir = sim_output_dir / sim_tag + if sim_dir.is_dir(): + tasks.append((sim_tag, evaluate_simulation(sim_dir, model, sem))) + + # Run simulations concurrently + eval_results = await asyncio.gather(*(task for _, task in tasks)) + for (sim_tag, _), mse in zip(tasks, eval_results): + results[sim_tag] = mse + + print(f"\nPrediction completed. Saving results to {output_file}") + # try: + # await asyncio.to_thread( + # lambda: json.dump(results, open(output_file, 'w'), indent=2) + # ) + # except OSError as e: + # print(f"⚠ Failed to write results to {output_file}: {e}") + + def _write(): + os.makedirs(os.path.dirname(output_file), exist_ok=True) + with open(output_file, "w") as f: + json.dump(results, f, indent=2) + + await asyncio.to_thread(_write) + + +def main(): + global MAX_CONCURRENT_FILE_LOADS + + parser = argparse.ArgumentParser(description="Run predictions on simulation data (async + concurrency limit).") + parser.add_argument('--model_filename', required=True, help='Path to model weights (pickle file)') + parser.add_argument('--sim_output_dir', required=True, help='Path to simulation output data') + parser.add_argument('--output_file', required=True, help='Path to save prediction results') + parser.add_argument('--max_concurrent', type=int, default=MAX_CONCURRENT_FILE_LOADS, help='Max concurrent file loads') + args = parser.parse_args() + + MAX_CONCURRENT_FILE_LOADS = args.max_concurrent + + asyncio.run( + predict(args.model_filename, args.sim_output_dir, args.output_file) + ) + + +if __name__ == "__main__": + main() \ No newline at end of file diff --git a/examples/dummy_pipeline/run_dummy_pipeline.py b/examples/dummy_pipeline/run_dummy_pipeline.py new file mode 100644 index 0000000..5603ca2 --- /dev/null +++ b/examples/dummy_pipeline/run_dummy_pipeline.py @@ -0,0 +1,53 @@ +#!/usr/bin/env python3 +import asyncio +from radical.asyncflow import WorkflowEngine +from radical.asyncflow import ConcurrentExecutionBackend +from concurrent.futures import ThreadPoolExecutor, ProcessPoolExecutor +from radical.asyncflow import RadicalExecutionBackend +from ddmd import DummyWorkflow +# from radical.asyncflow import DaskExecutionBackend + + +SIM_CORES = 3 +TRAIN_CORE = 1 +TOTAL_CORES= SIM_CORES + TRAIN_CORE + +RESOURCES = { + 'runtime': 30, + #'resource': 'local.localhost', + 'resource': 'purdue.anvil', + 'cores': TOTAL_CORES + } + +raptor_config = { + "masters": [{ + "ranks": 1, + "workers": [{ + "ranks": TRAIN_CORE + }] + }] +} + +async def run_ddmd(): + + #engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) + engine = await ConcurrentExecutionBackend(ProcessPoolExecutor()) + #engine = await RadicalExecutionBackend(RESOURCES, raptor_config) + + # Create the async workflow engine + asyncflow = await WorkflowEngine.create(engine) + + # Initialize the workflow + workflow = DummyWorkflow(asyncflow=asyncflow, training_cores=TRAIN_CORE, max_sim_batch=SIM_CORES) + + try: + # Run the workflow + await workflow.teach() + except Exception as e: + print(f"An error occurred during teaching: {e}") + finally: + # Ensure cleanup regardless of errors + await workflow.close() + +if __name__ == '__main__': + asyncio.run(run_ddmd()) \ No newline at end of file diff --git a/examples/dummy_pipeline/saved_dummy_learner.py b/examples/dummy_pipeline/saved_dummy_learner.py new file mode 100644 index 0000000..a8d4068 --- /dev/null +++ b/examples/dummy_pipeline/saved_dummy_learner.py @@ -0,0 +1,233 @@ +import asyncio +import os +import sys +import random +import shutil +import numpy as np +from pathlib import Path +from ddmd_manager import DDMD_manager +from rose.metrics import MODEL_ACCURACY + +VAL_SPLIT = 0.2 +MIN_TRAIN_SIZE = 1 + +class DummyWorkflow(DDMD_manager): + """Dummy workflow for managing DDMD simulations, training, and predictions.""" + + def __init__(self, **kwargs): + home_dir = Path(kwargs.get('home_dir', Path.home() / 'DDMD')) + self.clean_dir(home_dir) + + self.sim_output_dir = self._ensure_dir(kwargs.get('sim_output_dir', home_dir / 'sim_output')) + self.sim_inputs_dir = self._ensure_dir(kwargs.get('sim_inputs_dir', home_dir / 'sim_input')) + self.train_dir = self._ensure_dir(kwargs.get('train_dir', home_dir / 'train')) + self.train_al_dir = self._ensure_dir(kwargs.get('train_al_dir', home_dir / 'train_al')) + self.val_dir = self._ensure_dir(kwargs.get('val_dir', home_dir / 'val')) + + self.max_sim_batch = kwargs.get('max_sim_batch', 4) + self.training_cores = kwargs.get('training_cores', 1) + self.sim_batch_size = self.max_sim_batch + self.training_threshold = kwargs.get('training_threshold', 0.95) + self.prediction_threshold = kwargs.get('prediction_threshold', 0.5) + self.start_training_threshold = kwargs.get('start_training_threshold', 10) + self.training_epochs = kwargs.get('training_epochs', 1) + self.clean_unregister_sims = bool(kwargs.get("clean_unregister_sims", True)) + self.iteration = 0 + + self.retrain_model = self.training_epochs > 0 + self.sim_predictions = {} + + self.code_path = f'{sys.executable} {os.getcwd()}' + self.model_filename = home_dir / 'model.pkl' + self.prediction_file = home_dir / 'predicions.json' + + asyncflow = kwargs.get('asyncflow') + super().__init__(asyncflow) + + self._register_learner_tasks() + + self.generate_sim_inputs(self.sim_inputs_dir, num_files=500) + + # -------------------------------------------------------------------------- + # + @staticmethod + def _ensure_dir(path): + path = Path(path) + path.mkdir(parents=True, exist_ok=True) + return path + + # -------------------------------------------------------------------------- + # + @staticmethod + def clean_dir(dir_name): + dir_path = Path(dir_name) + if dir_path.exists() and dir_path.is_dir(): + shutil.rmtree(dir_path) + # -------------------------------------------------------------------------- + # + @staticmethod + def generate_sim_inputs(sim_inputs_dir, num_files: int = 5): + """ + Ensure all files from previous run are deleted and new dummy input files are generated + + Args: + sim_inputs_dir: Path to the simulation input directory. + num_files: Number of dummy files to create. + """ + sim_inputs_path = Path(sim_inputs_dir) + # if sim_inputs_path.exists() and sim_inputs_path.is_dir(): + # shutil.rmtree(sim_inputs_path) + # sim_inputs_path.mkdir(parents=True, exist_ok=True) + + # Generate dummy input files + for i in range(num_files): + file_path = sim_inputs_path / f"input_{i}.npz" + X = np.random.rand(100, 1) # Example input array + np.savez(file_path, X=X) + #print(f"Generated input file: {file_path}") + # -------------------------------------------------------------------------- + # + def check_prediction(self, *args, **kwargs): + return kwargs['prediction'] < self.prediction_threshold + + # -------------------------------------------------------------------------- + # + async def collect_sim_inputs(self): + """Collect simulation inputs""" + filenames = await asyncio.to_thread(lambda: list(self.sim_inputs_dir.iterdir())) + for filename in filenames: + if filename.is_file(): + sim_name = filename.name.split(".")[0] + sim_tag = f'sim_{sim_name}' + await self.sim_task_queue.put({'sim_tag': sim_tag}) + + + # -------------------------------------------------------------------------- + # + async def check_training_data(self): + """Asynchronously check if enough training data files are available.""" + total_files = 0 + + # Iterate directories asynchronously + #while True: + for dir in self.sim_output_dir.iterdir(): + if dir.is_dir(): + # Run blocking I/O in a thread executor + filenames = await asyncio.to_thread(lambda: list(dir.iterdir())) + total_files += len(filenames) + + #print(total_files, self.start_training_threshold) + #if total_files >= self.start_training_threshold: + return total_files >= self.start_training_threshold + + # -------------------------------------------------------------------------- + # + def del_files(self, sim_ind): + for filename in self.train_al_dir.iterdir(): + if sim_ind in filename.name: + os.remove(filename) + for filename in self.train_dir.iterdir(): + if sim_ind in filename.name: + os.remove(filename) + for filename in self.val_dir.iterdir(): + if sim_ind in filename.name: + os.remove(filename) + + sim_dir = Path(self.sim_output_dir, sim_ind) + shutil.rmtree(sim_dir, ignore_errors=True) + # -------------------------------------------------------------------------- + # + def _register_learner_tasks(self): + + @self.learner.simulation_task + async def simulation(*args, **kwargs): + sim_tag = kwargs["sim_inputs"]["sim_tag"] + args = f'--output_dir {self.sim_output_dir} --sim_tag {sim_tag}' + return f'{self.code_path}/simulation.py {args}' + self.simulation = simulation + + # -------------------------------------------------------------------------- + @self.learner.training_task + async def training(*args, **kwargs): + args = ( + f'--model_filename {self.model_filename} ' + f'--sim_output_dir {self.sim_output_dir} ' + f'--train_dir {self.train_al_dir} --val_dir {self.val_dir}' + ) + return f'{self.code_path}/train.py {args}' + self.training = training + + # -------------------------------------------------------------------------- + @self.learner.active_learn_task + async def active_learn(*args, **kwargs): + args = ( + f'--model_filename {self.model_filename} ' + f'--train_dir {self.train_dir} ' + f'--train_al_dir {self.train_al_dir}' + ) + + return f'{self.code_path}/active_learn.py {args}' + self.active_learn = active_learn + + # -------------------------------------------------------------------------- + @self.learner.utility_task + async def exe_prediction(*args, **kwargs): + args = ( + f'--model_filename {self.model_filename} ' + f'--sim_output_dir {self.sim_output_dir} ' + f'--output_file {self.prediction_file}' + ) + return f'{self.code_path}/predict.py {args}' + self.exe_prediction = exe_prediction + + # -------------------------------------------------------------------------- + @self.learner.utility_task(as_executable=False) + async def prediction(*args, **kwargs): + """Generate random sim_predictions.""" + sim_inds = kwargs["sim_inds"] + #sim_output_dir = kwargs["sim_output_dir"] + sim_predictions = {} + + for sim_ind in sim_inds: + # sim_dir = Path(sim_output_dir, sim_ind) + # if sim_dir.is_dir(): + sim_predictions[sim_ind] = random.random() + + return sim_predictions + self.prediction = prediction + + # @self.learner.utility_task(as_executable=False) + # async def prediction(*args, **kwargs): + # masha = 1 + # return + # self.prediction = prediction + + # -------------------------------------------------------------------------- + @self.learner.as_stop_criterion(metric_name=MODEL_ACCURACY, threshold=self.training_threshold) + async def check_accuracy(*args, **kwargs): + args = f'--model_filename {self.model_filename} --val_dir {self.val_dir}' + return f'{self.code_path}/check_accuracy.py {args}' + self.check_accuracy = check_accuracy + + # -------------------------------------------------------------------------- + # + async def train_model(self): + """Run training loop until accuracy threshold is met or epochs are exhausted.""" + self.iteration += 1 + for epoch in range(self.training_epochs): + self.logger.info(f'\nStarting Training Iteration {self.iteration} / Epoch {epoch + 1}') + self.logger.info(f'{len(self.registered_sims)} simulation(s) running....') + + train_task = self.training() + self.logger.task_started('Training Model') + + should_stop, metric_val = await self.check_accuracy(train_task) + self.logger.task_started('Check Accuracy') + + if should_stop: + self.logger.info(f'Accuracy ({metric_val}) met the threshold, stopping training...') + self.retrain_model = False + break + + await self.active_learn() + self.logger.task_started('Active Learning') \ No newline at end of file diff --git a/examples/dummy_pipeline/simulation.py b/examples/dummy_pipeline/simulation.py new file mode 100644 index 0000000..cb692eb --- /dev/null +++ b/examples/dummy_pipeline/simulation.py @@ -0,0 +1,64 @@ +# sim_async.py +import argparse +from pathlib import Path +import numpy as np +import asyncio + +def complicated_function(x: np.ndarray) -> np.ndarray: + """Complex mathematical function to simulate a process.""" + return ( + 0.3 * np.sin(1.5 * np.pi * x**2) + + 0.2 * np.cos(2 * np.pi * x**3) + + 0.5 * np.exp(-0.5 * x) + + 0.1 * np.tanh(0.2 * (x - 0.5)) + + 0.3 * (x**3) + ) + +async def simulate_one(output_file: Path): + """Run a single simulation iteration asynchronously.""" + X = np.random.uniform(low=0.0, high=1.0, size=(500, 1)) + + # Run CPU-heavy loop in a thread to avoid blocking event loop + def run_math(): + y = 0 + for _ in range(1000): + y += complicated_function(X) + return y + + y = await asyncio.to_thread(run_math) + + # Save results asynchronously + np_bytes = await asyncio.to_thread(np.savez_compressed, output_file, X=X, y=y) + + print(f"Saved simulation to {output_file}") + + +async def run_simulation(output_dir: str, sim_tag: str) -> None: + """Run the simulation and save results.""" + print(f"Simulation {sim_tag } will start now") + + output_sim_dir = Path(output_dir) / sim_tag + output_sim_dir.mkdir(parents=True, exist_ok=True) + + tasks = [] + for i in range(150): + output_file = output_sim_dir / f"{sim_tag}_{i}.npz" + tasks.append(simulate_one(output_file)) + + # Run up to N simulations concurrently + await asyncio.gather(*tasks) + + print(f"Simulation completed. Results saved in {output_sim_dir}") + + +def main(): + parser = argparse.ArgumentParser(description="Run a simulation (async)") + #parser.add_argument('--input_dir', type=str, required=True, help='Path to input file') + parser.add_argument('--output_dir', type=str, required=True, help='Path to simulation output directory') + parser.add_argument('--sim_tag', type=str, required=True, help='Simulation tag') + args = parser.parse_args() + + asyncio.run(run_simulation(args.output_dir, args.sim_tag)) + +if __name__ == "__main__": + main() \ No newline at end of file diff --git a/examples/dummy_pipeline/train.py b/examples/dummy_pipeline/train.py new file mode 100644 index 0000000..48f0e17 --- /dev/null +++ b/examples/dummy_pipeline/train.py @@ -0,0 +1,121 @@ +# train_async.py +import asyncio +from pathlib import Path +import pickle +import argparse +import numpy as np +import random +import shutil +from asyncio import to_thread + +VAL_SPLIT = 0.5 +MIN_TRAIN_SIZE = 10 +MIN_NUM_TO_PREDICT = 1 + +async def async_iterdir(path: Path): + """Run Path.iterdir() in a separate thread to avoid blocking.""" + return await to_thread(list, path.iterdir()) + +async def check_sim_dir(sim_output_dir: Path): + files = [] + count = 0 + for sim_dir in await async_iterdir(sim_output_dir): + count += 1 + if count == MIN_TRAIN_SIZE: + return True + if sim_dir.is_dir(): + files += [f.name for f in await async_iterdir(sim_dir)] + + return False + +async def data_loading(sim_output_dir: Path, train_dir: Path, val_dir: Path): + await asyncio.to_thread(train_dir.mkdir, parents=True, exist_ok=True) + await asyncio.to_thread(val_dir.mkdir, parents=True, exist_ok=True) + + for sim_dir in await async_iterdir(sim_output_dir): + if not sim_dir.is_dir(): + continue + + files = [f.name for f in await async_iterdir(sim_dir)] + if not files: + continue + + random.shuffle(files) + val_subset = int(len(files) * VAL_SPLIT) + train_files = files[val_subset:] + val_files = files[:val_subset] + + # Move files asynchronously (threaded because shutil is blocking) + for filename in train_files: + await to_thread(shutil.move, sim_dir / filename, train_dir / filename) + for filename in val_files: + await to_thread(shutil.move, sim_dir / filename, val_dir / filename) + +async def train(model_filename='model.pkl', sim_output_dir='sim_output', + train_dir='train_data', val_dir='val_data'): + + train_dir = Path(train_dir) + val_dir = Path(val_dir) + sim_output_dir = Path(sim_output_dir) + + while True: + data_ready = await check_sim_dir(sim_output_dir) + if data_ready: + break + await asyncio.sleep(1) + + await data_loading(sim_output_dir, train_dir, val_dir) + + try: + model = await to_thread(pickle.load, open(model_filename, 'rb')) + except: + try: + from sklearn.linear_model import LinearRegression + model = LinearRegression() + except: + pass + + X_all, y_all = [], [] + + count = 0 + for file in await async_iterdir(train_dir): + count += 1 + # This condition helps avoid long execution times when there are too many files to iterate through. + if count == MIN_TRAIN_SIZE: + break + if file.is_file(): + print(f'Using data from {file} for training') + try: + data = await to_thread(np.load, file) + X_labeled = data['X'] + y_labeled = data['y'] + X_all.append(X_labeled) + y_all.append(y_labeled) + except Exception as e: + print(f"Skipping {file}: {e}") + + if y_all: + X_combined = np.concatenate(X_all, axis=0) + y_combined = np.concatenate(y_all, axis=0) + if len(y_combined) > MIN_NUM_TO_PREDICT: + try: + await to_thread(model.fit, X_combined, y_combined) + await to_thread(pickle.dump, model, open(model_filename, 'wb')) + print(f"Model saved to {model_filename}") + except: + pass + + #Run this to extend execution time + i = 0 + for _ in range(10000): + i += 1 + +if __name__ == "__main__": + parser = argparse.ArgumentParser(description="Async Training Script") + parser.add_argument('--model_filename', type=str, help='Path to store model weights') + parser.add_argument('--train_dir', type=str, help='Path to training data') + parser.add_argument('--sim_output_dir', type=str, help='Path to simulation output data') + parser.add_argument('--val_dir', type=str, help='Path to validation data') + + args = parser.parse_args() + asyncio.run(train(args.model_filename, args.sim_output_dir, args.train_dir, args.val_dir)) \ No newline at end of file diff --git a/pyproject.toml b/pyproject.toml new file mode 100644 index 0000000..ed70deb --- /dev/null +++ b/pyproject.toml @@ -0,0 +1,92 @@ +[build-system] +requires = ["setuptools>=61.0", "wheel"] +build-backend = "setuptools.build_meta" + +[project] +name = "DDMD" +version = "0.2.0" +description = "Toolkit for Deep learning-driven Adaptive Molecular Simulations for Protein Folding" + +authors = [ + {name = "Mariya Goliyad", email = "mariya.goliyad@rutgers.edu"}, + {name = "RADICAL Lab"}, +] +maintainers = [ + {name = "Mariya Goliyad", email = "mariya.goliyad@rutgers.edu"}, +] +readme = "README.md" +requires-python = ">=3.9" + +dependencies = ["rose"] + +[project.urls] +Homepage = "https://github.com/radical-collaboration/DeepDriveMD" +Issues = "https://github.com/radical-collaboration/DeepDriveMD/issues" +Documentation = "https://deepdrivemd.github.io" + +[project.optional-dependencies] +lint = ["ruff"] + +# All test deps +dev = [ + "pytest", + "pytest-asyncio", + "pytest-cov" +] + +doc = [ + "mkdocs==1.5.3", + "mkdocs-material==9.5.9", + "mkdocstrings[python]>=0.26.1", + "mkdocs-gen-files==0.5.0", + "mkdocs-literate-nav==0.6.1", + "mkdocs-section-index==0.3.8", + "mkdocs-glightbox", + "mkdocs-material-extensions", + "mkdocs-minify-plugin" +] + +[tool.ruff] +line-length = 88 +target-version = "py39" +fix = true + +[tool.ruff.lint] +select = ["E", "F", "W", "B", "I", "N", "UP"] +ignore = ["UP007", "UP045"] + +[tool.ruff.format] +quote-style = "double" +indent-style = "space" + +[tool.pytest.ini_options] +minversion = "6.0" + +testpaths = ["tests"] +asyncio_mode = "auto" +markers = [ + "slow: marks tests as slow (deselect with '-m \"not slow\"')", + "integration: marks tests as integration tests", +] + +[tool.coverage.run] +source = ["ddmd"] +omit = ["tests/*"] + +[tool.coverage.report] +exclude_lines = [ + "pragma: no cover", + "def __repr__", + "raise AssertionError", + "raise NotImplementedError", +] + +[tool.codespell] +skip = """ +.git, +.github, +__pycache__, +build, +dist, +.*egg-info +""" diff --git a/src/NWchem_Adapt.py b/src/NWchem_Adapt.py deleted file mode 100644 index b775bde..0000000 --- a/src/NWchem_Adapt.py +++ /dev/null @@ -1,1237 +0,0 @@ -#!/usr/bin/env python3 - -# - initial ML force field exists -# - while iteration < X (configurable): -# - start DTF ( Ab-initio MD simulation ) (with all reasources) CPU only -# - start force field training task (FFTrain) (with all resources) CPU only -# - if DFT partially satisfy the uncertainty -# - Kill Half of the Ab-initio Tasks -# - Start DDMD with %50 CPU and %100 GPU -# - If DFT fully satisfy: -# - run 2nd DDMD loop (divide available resources between bot loop) -# - If DDMD1 finish run DDMD 2 with full resoureces - -# lower / upper bound on active num of simulations -# ddmd.get_last_n_sims ... - -# ------------------------------------------------------------------------------ -# - -# This one will run Adaptive and Asyncronous. -import argparse -import copy -import json -import math -import os -import random -import signal -import sys -import threading as mt -import time -import traceback -import typing - -from collections import defaultdict - -import radical.pilot as rp -import radical.utils as ru - -import itertools -import shutil -from pathlib import Path -from typing import List, Optional - - -from deepdrivemd.config import BaseStageConfig, ExperimentConfig -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.utils import parse_args - - -# ------------------------------------------------------------------------------ -# This is the main class -# TODO: Maybe we need a base class and multiple classes for DDMD and AB-INITIO -class DDMD(object): - - # define task types (used as prefix on task-uid) - # AB-INITIO TASKS - TASK_TRAIN_FF = 'task_train_ff' # AB-initio-FF-training - TASK_MD = 'task_md' # AB-initio MD-simulation - TASK_DFT1 = 'task_dft1' # Ab-inito DFT prep - TASK_DFT2 = 'task_dft2' # Ab-inito DFT calculation - TASK_DFT3 = 'task_dft3' # Ab-inito DFT finalize - # DDMD TASKS - TASK_DDMD_MD = 'task_ddmd_md' # DDMD MD-Simulation - TASK_DDMD_AGGREGATION = 'task_ddmd_aggregation' # DDMD Aggregation - TASK_DDMD_TRAIN = 'task_ddmd_train' # DDMD Training - TASK_DDMD_SELECTION = 'task_ddmd_selection' # DDMD Selection - TASK_DDMD_AGENT = 'task_ddmd_agent' # DDMD Agent - - TASK_TYPES = [TASK_TRAIN_FF, - TASK_MD, - TASK_DFT1, - TASK_DFT2, - TASK_DFT3, - TASK_DDMD_MD, - TASK_DDMD_AGGREGATION, - TASK_DDMD_TRAIN, - TASK_DDMD_SELECTION, - TASK_DDMD_AGENT] - - # these alues fall from heaven.... - # We need to have a swich condition here. - ITER_AB_INITIO = 6 - ITER_DDMD = 6 - ITER_DDMD_1 = int(math.floor(ITER_AB_INITIO / 2)) - ITER_DDMD_2 = ITER_AB_INITIO - - # keep track of core usage - cores_used = 0 - gpus_used = 0 - avail_cores = 0 - avail_gpus = 0 - - # keep track the stage - stage = 0 # 0 no tasks started - # 1 only ab-initio - # 2 ab-initio + DDM1 - # 3 DDMD1 + DDMD2 - # 4 only DDMD2 - # 5 all done - - # -------------------------------------------------------------------------- - # - def __init__(self): - - # control flow table - self._protocol = {self.TASK_TRAIN_FF : self._control_train_ff , - self.TASK_MD : self._control_md , - self.TASK_DFT1 : self._control_dft1 , - self.TASK_DFT2 : self._control_dft2 , - self.TASK_DFT3 : self._control_dft3 , - self.TASK_DDMD_MD : self._control_ddmd_md , - self.TASK_DDMD_AGGREGATION: self._control_ddmd_aggregation, - self.TASK_DDMD_TRAIN : self._control_ddmd_train , - self.TASK_DDMD_SELECTION : self._control_ddmd_selection , - self.TASK_DDMD_AGENT : self._control_ddmd_agent } - - self._glyphs = {self.TASK_TRAIN_FF : 't', - self.TASK_MD : 'm', - self.TASK_DFT1 : 'i', - self.TASK_DFT2 : 'd', - self.TASK_DFT3 : 'e', - self.TASK_DDMD_MD : 'M', - self.TASK_DDMD_AGGREGATION: 'G', - self.TASK_DDMD_TRAIN : 'T', - self.TASK_DDMD_SELECTION : 'S', - self.TASK_DDMD_AGENT : 'A'} - - # bookkeeping - # FIXME There are lots off un used item here - self._iter = 0 - self._DDMD_CPU = 1 - self._DDMD_CPUt = 1 - self._DDMD_GPU = 1 - self._cores = 48 # available cpu resources FIXME: maybe get from the user? - self._gpus = 4 # available gpu resources "" - self._avail_cores = self._cores - self._avail_gpus = self._gpus - self._cores_used = 0 - self._gpus_used = 0 - self._ddmd_tasks = 0 - - # FIXME Make sure everything is needed. - self._lock = mt.RLock() - self._series = [1, 2] - self._uids = {s:list() for s in self._series} - - self._tasks = {s: {ttype: dict() for ttype in self.TASK_TYPES} - for s in self._series} - - self._final_tasks = list() - - # silence RP reporter, use own - os.environ['RADICAL_REPORT'] = 'false' - self._rep = ru.Reporter('nwchem') - self._rep.title('NWCHEM') - - # RP setup - self._session = rp.Session() - self._pmgr = rp.PilotManager(session=self._session) - self._tmgr = rp.TaskManager(session=self._session) - - # Where is the software we are running - abs_path = os.path.abspath(__file__) - self._deepdrivemd_directory = os.path.dirname(abs_path) - - # Maybe get from user?? - pdesc = rp.PilotDescription({'resource': 'local.localhost_test', - 'runtime' : 3000, - 'sandbox' : os.getenv('RADICAL_PILOT_BASE'), -# 'runtime' : 4, - 'cores' : self._cores}) -# 'cores' : 1}) - self._pilot = self._pmgr.submit_pilots(pdesc) - - self._tmgr.add_pilots(self._pilot) - self._tmgr.register_callback(self._state_cb) - - #set aditional DDMD related setups: - - #FIXME: Makesure the names are not conflicting with others - args = parse_args() - cfg = ExperimentConfig.from_yaml(args.config) - self._env_work_dir = cfg.experiment_directory - self.cfg = cfg - - self._DDMD_CPU = 1 # cfg.cpu_reqs.processes - self._DDMD_CPUt = 1 # cfg.cpu_reqs.threads_per_process - self._DDMD_GPU = 0 # cfg.gpu_reqs.processes - self._stage = 0 #There are 3 stages 0 ab-initio only - # 1 Both - # 2 DDMD only - - # Parser - # We need a different solution for this. The parse_args a few lines back conflicts - # with the parse_args in the next function. The arguments known to set_argparse are - # unknown to deepdrivemd.utils.parse_args. Some of the arguments unknown to - # deepdrivemd.utils.parse_args are required by set_argparse. - # We need to call set_argparse to set self.args.work_dir needed by get_json. - self.set_argparse() - self.get_json() - - # Calculate total number of nodes required. - # If gpus_per_node is 0, then we assume that the CPU is used for - # simulation, in which case we request a node per simulation task. - # Otherwise, we assume that each simulation task uses a single GPU. - if cfg.gpus_per_node == 0: - num_nodes = cfg.molecular_dynamics_stage.num_tasks - else: - num_nodes, extra_gpus = divmod( - cfg.molecular_dynamics_stage.num_tasks, cfg.gpus_per_node - ) - # If simulations don't pack evenly onto nodes, add an extra node - num_nodes += int(extra_gpus > 0) - - num_nodes = max(1, num_nodes) - - #FIXME maybe we can use this but we need to be carefull here. - self.ddmd_pilot_desc = rp.PilotDescription({ - "resource": cfg.resource, - "queue": cfg.queue, - "access_schema": cfg.schema_, - "walltime": cfg.walltime_min, - "project": cfg.project, - "cpus": cfg.cpus_per_node * cfg.hardware_threads_per_cpu * num_nodes, - "gpus": cfg.gpus_per_node * num_nodes}) - - self.api = DeepDriveMD_API(cfg.experiment_directory) - self.stage_idx = 0 - - - # -------------------------------------------------------------------------- - # -------------------------------------------------------------------------- - # ---------FUNCINALITIES FROM DDME------------------------------------------ - # -------------------------------------------------------------------------- - # -------------------------------------------------------------------------- - # I basically change the nubner of cpu and GPU here depending on stage ----- - # -------------------------------------------------------------------------- - # If it stucks on _control_ddmd we can move that in here with a if case. - # I basically change the nubner of cpu and GPU here depending on stage ----- - def generate_task_description(self, cfg: BaseStageConfig) -> rp.TaskDescription: - task = 0 - self._control_ddmd(cfg) - td = rp.TaskDescription() - td.ranks = self._DDMD_CPU - td.cores_per_rank = self._DDMD_CPUt - td.gpus_per_rank = self._DDMD_GPU - td.pre_exec = copy.deepcopy(cfg.pre_exec) - td.executable = copy.deepcopy(cfg.executable) - td.arguments = copy.deepcopy(cfg.arguments) - return td - - - # we don't need this - def _init_experiment_dir(self) -> None: - # Make experiment directories - self.cfg.experiment_directory.mkdir() - self.api.molecular_dynamics_stage.runs_dir.mkdir() - self.api.aggregation_stage.runs_dir.mkdir() - self.api.machine_learning_stage.runs_dir.mkdir() - self.api.model_selection_stage.runs_dir.mkdir() - self.api.agent_stage.runs_dir.mkdir() - - # FIXME Probably neeed to delete this one but I am not sure since it is checking max iteration - def func_condition(self) -> None: - if self.stage_idx < self.cfg.max_iteration: - self.func_on_true() - else: - self.func_on_false() - -#FIXME we definitly dont need following -# def func_on_true(self) -> None: -# print(f"Finishing stage {self.stage_idx} of {self.cfg.max_iteration}") -# self._generate_pipeline_iteration() -# -# def func_on_false(self) -> None: -# print("Done") -# -# def _generate_pipeline_iteration(self) -> None: -# -# self.pipeline.add_stages(self.generate_molecular_dynamics_stage()) -# -# if not cfg.aggregation_stage.skip_aggregation: -# self.pipeline.add_stages(self.generate_aggregating_stage()) -# -# if self.stage_idx % cfg.machine_learning_stage.retrain_freq == 0: -# self.pipeline.add_stages(self.generate_machine_learning_stage()) -# self.pipeline.add_stages(self.generate_model_selection_stage()) -# -# agent_stage = self.generate_agent_stage() -# agent_stage.post_exec = self.func_condition -# self.pipeline.add_stages(agent_stage) -# -# self.stage_idx += 1 -# -# def generate_pipelines(self) -> List[Pipeline]: -# self._generate_pipeline_iteration() -# return [self.pipeline] - - - - - - - def generate_molecular_dynamics_stage(self): - task = 0 - cfg = self.cfg.molecular_dynamics_stage - stage_api = self.api.molecular_dynamics_stage - - if self.stage_idx == 0: - initial_pdbs = self.api.get_initial_pdbs(cfg.task_config.initial_pdb_dir) - filenames: Optional[itertools.cycle[Path]] = itertools.cycle(initial_pdbs) - else: - filenames = None - - tds = [] - for task_idx in range(cfg.num_tasks): - - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - if self.stage_idx == 0: - assert filenames is not None - cfg.task_config.pdb_file = next(filenames) - else: - cfg.task_config.pdb_file = None - cfg.task_config.train_dir = Path(self.cfg.experiment_directory,"deepmd") - - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_MD) - tds.append(td) - - self._submit_task(tds, series = 1) - - - # TODO HUUB: DO we have aggregation stage? - def generate_aggregating_stage(self): - - cfg = self.cfg.aggregation_stage - stage_api = self.api.aggregation_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) #FIXME: Add a task for Aggregeation. - self._submit_task(td, series = 1) - - - def generate_machine_learning_stage(self): - cfg = self.cfg.machine_learning_stage - stage_api = self.api.machine_learning_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - cfg.task_config.model_tag = stage_api.unique_name(output_path) - if self.stage_idx > 0: - # Machine learning should use model selection API - cfg.task_config.init_weights_path = None - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_TRAIN) - self._submit_task(td, series = 1) - - - def generate_model_selection_stage(self): - cfg = self.cfg.model_selection_stage - stage_api = self.api.model_selection_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) - self._submit_task(td, series = 1) - - - def generate_agent_stage(self): - cfg = self.cfg.agent_stage - stage_api = self.api.agent_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_AGENT) - self._submit_task(td, series = 1) - - - # -------------------------------------------------------------------------- - def set_argparse(self): - parser = argparse.ArgumentParser(description="NWChem - DeepDriveMD Synchronous") - #FIXME Delete unneded ones and add the ones we need. - parser.add_argument('-c', '--config', - help='YAML config file', type=str, required=True) - parser.add_argument('--num_phases', type=int, default=3, - help='number of phases in the workflow') - parser.add_argument('--mat_size', type=int, default=5000, - help='the matrix with have size of mat_size * mat_size') - parser.add_argument('--data_root_dir', default='./', - help='the root dir of gsas output data') - parser.add_argument('--num_step', type=int, default=1000, - help='number of step in MD simulation') - parser.add_argument('--num_epochs_train', type=int, default=150, - help='number of epochs in training task') - parser.add_argument('--model_dir', default='./', - help='the directory where save and load model') - parser.add_argument('--conda_env', default=None, - help='the conda env where numpy/cupy installed, if not specified, no env will be loaded') - parser.add_argument('--num_sample', type=int, default=500, - help='num of samples in matrix mult (training and agent)') - parser.add_argument('--num_mult_train', type=int, default=4000, - help='number of matrix mult to perform in training task') - parser.add_argument('--dense_dim_in', type=int, default=12544, - help='dim for most heavy dense layer, input') - parser.add_argument('--dense_dim_out', type=int, default=128, - help='dim for most heavy dense layer, output') - parser.add_argument('--preprocess_time_train', type=float, default=20.0, - help='time for doing preprocess in training') - parser.add_argument('--preprocess_time_agent', type=float, default=10.0, - help='time for doing preprocess in agent') - parser.add_argument('--num_epochs_agent', type=int, default=10, - help='number of epochs in agent task') - parser.add_argument('--num_mult_agent', type=int, default=4000, - help='number of matrix mult to perform in agent task, inference') - parser.add_argument('--num_mult_outlier', type=int, default=10, - help='number of matrix mult to perform in agent task, outlier') - parser.add_argument('--enable_darshan', action='store_true', - help='enable darshan analyze') - parser.add_argument('--project_id', # required=True, - help='the project ID we used to launch the job') - parser.add_argument('--queue', # required=True, - help='the queue we used to submit the job') - parser.add_argument('--work_dir', default=self._env_work_dir, - help='working dir, which is the dir of this repo') - parser.add_argument('--num_sim', type=int, default=12, - help='number of tasks used for simulation') - parser.add_argument('--num_nodes', type=int, default=3, - help='number of nodes used for simulation') - parser.add_argument('--io_json_file', default="io_size.json", - help='the filename of json file for io size') - - args = parser.parse_args() - self.args = args - - # FIXME: This is unused now but we may want to use a json file in the future - def get_json(self): - return - json_file = "{}/launch-scripts/{}".format(self.args.work_dir, self.args.io_json_file) - with open(json_file) as f: - self.io_dict = json.load(f) - - # FIXME do not use argument_val and get them from the user using arguments - def get_arguments(self, ttype, argument_val=""): - args = [] - - if ttype == self.TASK_MD: - args = ['{}/sim/lammps/main_ase_lammps.py'.format(self._deepdrivemd_directory), - '{}/molecular_dynamics_runs'.format(self.cfg.experiment_directory), # get test dir path here #FIXME - '{}/ab_initio'.format(self.cfg.experiment_directory), # get pbd file path here #FIXME - '{}/deepmd'.format(self.cfg.experiment_directory)] #training folder name - elif ttype == self.TASK_DFT1: - # Generate a set of input files and store the filenames in "inputs.txt" - args = ['{}/sim/nwchem/main1_nwchem.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory), - '{}/molecular_dynamics_runs'.format(self.cfg.experiment_directory)] - elif ttype == self.TASK_DFT2: - args = ['{}/sim/nwchem/main2_nwchem.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory), - '{}'.format(argument_val)] # this will need to get the instance - elif ttype == self.TASK_DFT3: - args = ['{}/sim/nwchem/main3_nwchem.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory)] - elif ttype == self.TASK_TRAIN_FF: - args = ['{}/models/deepmd/main_deepmd.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory), - '{}/deepmd/{}'.format(self.cfg.experiment_directory,argument_val)] #training folder name - -# elif ttype == self.TASK_DDMD: #TODO: ask to to HUUB -# args = ['{}/Executables/training.py'.format(self.args.work_dir), -# '--num_epochs={}'.format(self.args.num_epochs_train), -# '--device=gpu', -# '--phase={}'.format(phase_idx), -# '--data_root_dir={}'.format(self.args.data_root_dir), -# '--model_dir={}'.format(self.args.model_dir), -# '--num_sample={}'.format(self.args.num_sample * (1 if phase_idx == 0 else 2)), -# '--num_mult={}'.format(self.args.num_mult_train), -# '--dense_dim_in={}'.format(self.args.dense_dim_in), -# '--dense_dim_out={}'.format(self.args.dense_dim_out), -# '--mat_size={}'.format(self.args.mat_size), -# '--preprocess_time={}'.format(self.args.preprocess_time_train), -# '--write_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["train"]["write"]), -# '--read_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["train"]["read"])] - - - return args - - - - # -------------------------------------------------------------------------- - # - def __del__(self): - - self.close() - - - # -------------------------------------------------------------------------- - # - def close(self): - - if self._session is not None: - self._session.close(download=True) - self._session = None - - - # -------------------------------------------------------------------------- - # - def dump(self, task=None, msg=''): - ''' - dump a representation of current task set to stdout - ''' - - # this assumes one core per task - - self._rep.plain('<<|') - - idle = self._cores - - for ttype in self.TASK_TYPES: - - n = 0 - for series in self._series: - n += len(self._tasks[series][ttype]) - - if n > idle: - n = idle - idle = 0 - else: - idle -= n - - self._rep.ok('%s' % self._glyphs[ttype] * n) - - self._rep.plain('%s' % '-' * idle + - '| %4d [%4d]' % (self._cores_used, self._cores)) - - if task and msg: - self._rep.plain(' %-15s: %s\n' % (task.uid, msg)) - else: - if task: - msg = task - self._rep.plain(' %-15s: %s\n' % (' ', msg)) - - - # -------------------------------------------------------------------------- - # - def start(self): - ''' - submit initial set of Ab-initio MD similation tasks DFT - ''' - - self.dump('submit MD simulations') - - pdb_files = Path('{}/molecular_dynamics_runs/pdb_files.txt'.format(self.cfg.experiment_directory)) - pdb_exists = pdb_files.exists() - if pdb_exists: - with open(str(pdb_files), "r") as fp: - lines = fp.readlines() - pdb_len = len(lines) - - # start ab-initio loop - if not pdb_exists: - # we are starting afresh - self._stage = 0 - self._submit_task(self.TASK_DFT1, args=None, n=1, cpu=1, gpu=0, series=1, argvals='')#TODO HUUB What is the configuration needed here? - elif pdb_len > 0: - # we are restarting a calculation with DFT calculations to do - self._stage = 0 - self._submit_task(self.TASK_DFT1, args=None, n=1, cpu=1, gpu=0, series=1, argvals='')#TODO HUUB What is the configuration needed here? - else: - # we are restarting a calculation but there are no DFT calculations left to do - # skip to force training instead - self._stage = 0 - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-1')#TODO HUUB What is the configuration needed here? - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-2')#TODO HUUB What is the configuration needed here? - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-3')#TODO HUUB What is the configuration needed here? - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-4')#TODO HUUB What is the configuration needed here? - - - - - # -------------------------------------------------------------------------- - # - def stop(self): - - os.kill(os.getpid(), signal.SIGKILL) - os.kill(os.getpid(), signal.SIGTERM) - - - # -------------------------------------------------------------------------- - # - def _get_ttype(self, uid): - ''' - get task type from task uid - ''' - - ttype = uid.split('.')[0] - - assert ttype in self.TASK_TYPES, 'unknown task type: %s' % uid - return ttype - - - # -------------------------------------------------------------------------- - # - def _submit_task(self, ttype, args=None, n=1, cpu=1, gpu=0, series=1, argvals=''): - ''' - submit 'n' new tasks of specified type - ''' - - assert ttype - - # NOTE: ttype can be a task description (or a list of those), or it can - # be a string. In the first case, we submit the given - # description(s). In the second case, we construct the task - # description from the remaining arguments and the ttype string. - if isinstance(ttype, list) and isinstance(ttype[0], rp.TaskDescription): - tds = ttype - - elif isinstance(ttype, rp.TaskDescription): - tds = [ttype] - - elif isinstance(ttype, str): - - cur_args = self.get_arguments(ttype, argument_val=argvals) - tds = list() - for _ in range(n): - - # FIXME: uuid=ttype won't work - the uid needs to be *unique* - - ve_path = "/hpcgpfs01/work/csi/hvandam/pydeepmd-3.11" - tds.append(rp.TaskDescription({ - # FIXME HUUB: give correct environment name - #'pre_exec' : ['. %s/bin/activate' % ve_path, - # 'pip install pyyaml'], - # Activating a conda environment inside a Python virtual environment - # can generate interesting problems. - 'pre_exec' : ['. %s/bin/activate' % ve_path], - 'uid' : ru.generate_id(ttype), - 'ranks' : 1, - 'cores_per_rank' : cpu, - 'gpus_per_rank' : gpu, - 'executable' : 'python', - 'arguments' : cur_args - })) - - else: - raise TypeError('invalid task type %s' % type(ttype)) - - - with self._lock: - - tasks = self._tmgr.submit_tasks(tds) - - for task in tasks: - self._register_task(task, series=series) - - - # -------------------------------------------------------------------------- - # - def _cancel_tasks(self, uids): - ''' - cancel tasks with the given uids, and unregister them - ''' - - uids = ru.as_list(uids) - - # FIXME AM: does not work - self._tmgr.cancel_tasks(uids) - - for uid in uids: - - series = self._get_series(uid=uid) - ttype = self._get_ttype(uid) - task = self._tasks[series][ttype][uid] - self.dump(task, 'cancel [%s]' % task.state) - - self._unregister_task(task) - - self.dump('cancelled') - - - # -------------------------------------------------------------------------- - # - def _register_task(self, task, series: int): - ''' - add task to bookkeeping - ''' - - with self._lock: - - ttype = self._get_ttype(task.uid) - - self._uids[series].append(task.uid) - - self._tasks[series][ttype][task.uid] = task - - cores = task.description['ranks'] \ - * task.description['cores_per_rank'] - self._cores_used += cores - - gpus = task.description['gpu_processes'] - self._gpus_used += gpus - - - # -------------------------------------------------------------------------- - # - def _unregister_task(self, task): - ''' - remove completed task from bookkeeping - ''' - - with self._lock: - - series = self._get_series(task) - ttype = self._get_ttype(task.uid) - - if task.uid not in self._tasks[series][ttype]: - return - - # remove task from bookkeeping - self._final_tasks.append(task.uid) - del self._tasks[series][ttype][task.uid] - self.dump(task, 'unregister %s' % task.uid) - - cores = task.description['ranks'] \ - * task.description['cores_per_rank'] - self._cores_used -= cores - - gpus = task.description['gpu_processes'] - self._gpus_used -= gpus - - - # -------------------------------------------------------------------------- - # - def _state_cb(self, task, state): - ''' - act on task state changes according to our protocol - ''' - - try: - return self._checked_state_cb(task, state) - - except Exception as e: - self._rep.exception('\n\n---------\nexception caught: %s\n\n' % repr(e)) - ru.print_exception_trace() - self.stop() - - - # -------------------------------------------------------------------------- - # - def _checked_state_cb(self, task, state): - - # this cb will react on task state changes. Specifically it will watch - # out for task completion notification and react on them, depending on - # the task type. - - if state in [rp.TMGR_SCHEDULING] + rp.FINAL: - self.dump(task, ' -> %s' % task.state) - - # ignore all non-final state transitions - if state not in rp.FINAL: - return - - # ignore tasks which were already completed - if task.uid in self._final_tasks: - return - - # lock bookkeeping - with self._lock: - - # raise alarm on failing tasks (but continue anyway) - if state == rp.FAILED: - self._rep.error('task %s failed: %s' % (task.uid, task.stderr)) - self.stop() - - # control flow depends on ttype - ttype = self._get_ttype(task.uid) - action = self._protocol[ttype] - if not action: - self._rep.exit('no action found for task %s' % task.uid) - action(task) - - # remove final task from bookkeeping - self._unregister_task(task) - - - # -------------------------------------------------------------------------- - # - def _get_series(self, task=None, uid=None): - - if uid: - # look up by uid - for series in self._series: - if uid in self._uids[series]: - return series - - else: - # look up by task type - for series in self._series: - if task.uid in self._uids[series]: - return series - - raise ValueError('task does not belong to any serious') - - - # -------------------------------------------------------------------------- - - def _control_ddmd(self, cfg): - if self._stage == 1: #This is the case when DDMD and AB-initio runs in parallel - self._DDMD_CPU = 1 # TODO Huub is 1 CPU is enough? - self._DDMD_CPUt = 1 # Same Question - self._DDMD_GPU = cfg.gpu_reqs.processes # I kept the GPU as is - else: - self._DDMD_CPU = cfg.cpu_reqs.processes - self._DDMD_CPUt = cfg.cpu_reqs.threads_per_process - self._DDMD_GPU = cfg.gpu_reqs.processes - - # -------------------------------------------------------------------------- - - # -------------------------------------------------------------------------- - # - def _control_md(self, task): - ''' - react on completed ff training task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_MD]) > 1: - return - - - self.dump(task, 'completed ab-initio md ') - - #check if this satisfy: - filename = Path(self.cfg.experiment_directory,"molecular_dynamics_runs","lammps_success.txt") - with open(str(filename), "r") as fp: - line = fp.readline() - Satisfy = eval(line) - filename = Path(self.cfg.experiment_directory,"molecular_dynamics_runs","pdb_files.txt") - with open(str(filename), "r") as fp: - lines = fp.readlines() - partial_satisfy = (len(lines) > 0) - #fully_satisfy = Satisfy and (len(lines) == 0) - self.dump(task, 'before Satisfy') - if Satisfy: #FIXME Huub we need 2 condition first inital and secon final - self.dump(task, 'in Satisfy') - if partial_satisfy: - self.dump(task, 'in partial_satisfy') - #set stage to both - self._stage = 1 - #run DDMD - self.generate_molecular_dynamics_stage() - #if not self.cfg.aggregation_stage.skip_aggregation: - # self.generate_aggregating_stage() - #else: - # self.generate_machine_learning_stage() - # continue to Ab-initio - #filename = Path(self.cfg.experiment_directory,"molecular_dynamics_runs","pdb_files.txt") - #with open(str(filename), "r") as fp: - # Structures = fp.readlines() - #if len(Structures) > 0: - self._submit_task(self.TASK_DFT1, args=None, n=1, cpu=1, gpu=0, series=1, argvals='') - # when fully satisfy: - #if full_satisfy: - else: - #Kill any Ab-initio TASK - #FIXME ANDRE Please chech if this is correct. - uids = list(self._tasks[series][self.TASK_TRAIN_FF].keys()) - uids.extend(self._tasks[series][self.TASK_MD].keys()) - uids.extend(self._tasks[series][self.TASK_DFT1].keys()) - uids.extend(self._tasks[series][self.TASK_DFT2].keys()) - uids.extend(self._tasks[series][self.TASK_DFT3].keys()) - self._cancel_tasks(uids) - #And let DDMD loop Continute with updated input set - #set stage to only DDMD - self.dump(task, 'in full_satisfy') - if self._stage == 0: - self.dump(task, 'in full_satisfy stage == 0') - # We are switching directly from DeePMD to DeepDriveMD without a mixed intermediate stage - self._stage = 2 - self.generate_molecular_dynamics_stage() - self._stage = 2 - else: - # continue to Ab-initio - self.dump(task, 'in else') - self._stage = 0 - #filename = Path(self.cfg.experiment_directory,"molecular_dynamics_runs","pdb_files.txt") - #with open(str(filename), "r") as fp: - # Structures = fp.readlines() - #if len(Structures) > 0: - # self._submit_task(self.TASK_DFT1, args=None, n=1, cpu=1, gpu=0, series=1, argvals='') - self._submit_task(self.TASK_DFT1, args=None, n=1, cpu=1, gpu=0, series=1, argvals='') - - # -------------------------------------------------------------------------- - # - def _control_train_ff(self, task): - ''' - react on completed ff training task - ''' - - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_TRAIN_FF]) > 1: - return - - self.dump(task, 'completed ff train') - cfg = self.cfg.molecular_dynamics_stage - output_path = Path(self.cfg.experiment_directory,"molecular_dynamics_runs") - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = 0 - cfg.task_config.task_idx = 0 - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - initial_pdbs = self.api.get_initial_pdbs(cfg.task_config.initial_pdb_dir) - cfg.task_config.pdb_file = initial_pdbs[0] - #self.dump(task, 'pdb: '+str(cfg.task_config.pdb_file)) - os.makedirs(output_path,exist_ok=True) - cfg_path = Path(output_path,"config.yaml") - cfg.task_config.dump_yaml(cfg_path) - self._submit_task(self.TASK_MD, args=None, n=1, cpu=1, gpu=1, series=1, argvals='') - - # -------------------------------------------------------------------------- - # - def _control_dft1(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT1]) > 1: - return - - inputs_file = '{}/ab_initio/inputs.txt'.format(self.cfg.experiment_directory) - with open(inputs_file, "r") as fp: - for line in fp: - filename = line.strip() - self._submit_task(self.TASK_DFT2, args=None, n=1, cpu=1, gpu=0, series=1, argvals=filename) - - self.dump(task, 'completed dft1') - - # -------------------------------------------------------------------------- - # - def _control_dft2(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT2]) > 12: - return - - if len(self._tasks[series][self.TASK_DFT2]) > 0: - # Cancel remaining tasks and submit TASK_DFT3 - uids = list(self._tasks[series][self.TASK_DFT2].keys()) - self._cancel_tasks(uids) - # Wait until all remaining TASK_DFT2 tasks have terminated - time.sleep(1.00) - while len(self._tasks[series][self.TASK_DFT2]) > 0: - time.sleep(1.00) - self.dump(task, 'completed dft2') - if len(self._tasks[series][self.TASK_DFT3]) == 0: - self._submit_task(self.TASK_DFT3, args=None, n=1, cpu=1, gpu=0, series=1, argvals='') - return - - self.dump(task, 'completed dft2') - if len(self._tasks[series][self.TASK_DFT3]) == 0: - self._submit_task(self.TASK_DFT3, args=None, n=1, cpu=1, gpu=0, series=1, argvals='') - - - # -------------------------------------------------------------------------- - # - def _control_dft3(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT3]) > 1: - return - - self.dump(task, 'completed dft3') - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-1') - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-2') - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-3') - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-4') - - # --------------------------------------------------------------------------# - # CONTROLS FOR DDMD LOOP # - # --------------------------------------------------------------------------# - def _control_ddmd_md(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_MD]) > 1: - return - - self.dump(task, 'completed DDMD MD') - if not self.cfg.aggregation_stage.skip_aggregation: - self.generate_aggregating_stage() - else: - self.generate_machine_learning_stage() - # -------------------------------------------------------------------------- - # - def _control_ddmd_aggregation(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_AGGREGATION]) > 1: - return - - self.dump(task, 'completed DDMD Aggregation') - - self.generate_machine_learning_stage() - - # -------------------------------------------------------------------------- - # - def _control_ddmd_train(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_TRAIN]) > 1: - return - - self.dump(task, 'completed DDMD Training') - - self.generate_model_selection_stage() - # -------------------------------------------------------------------------- - # - def _control_ddmd_selection(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_SELECTION]) > 1: - return - - self.dump(task, 'completed DDMD Selection') - - self.generate_agent_stage() - - - # -------------------------------------------------------------------------- - # - def _control_ddmd_agent(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_AGENT]) > 1: - return - - self.dump(task, 'completed DDMD agent') - - #Check if we are done with DDMD loop: - if self.stage_idx < self.cfg.max_iteration: - self.stage_idx += 1 - self.generate_molecular_dynamics_stage() - else: - self.dump("DONE!!!") - ddmd.close() #TODO Check if this is needed!!! - - - # --------------------------------------------------------------------------# - # Place holder for Ab-initio Stages # - # --------------------------------------------------------------------------# - def generate_dft_stage(self, structure = None, path="pbd_files.txt"): - return - #cfg = self.cfg.dft - #stage_api = self.api.dft - - #task_idx = 0 - #output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - #assert output_path is not None - - ## Update base parameters - #cfg.task_config.experiment_directory = self.cfg.experiment_directory - #cfg.task_config.stage_idx = self.stage_idx - #cfg.task_config.task_idx = task_idx - #cfg.task_config.node_local_path = self.cfg.node_local_path - #cfg.task_config.output_path = output_path - - ## Write yaml configuration - #cfg_path = stage_api.config_path(self.stage_idx, task_idx) - #assert cfg_path is not None - #cfg.task_config.dump_yaml(cfg_path) - #td = self.generate_task_description(cfg) - #td.arguments += ["-c", cfg_path.as_posix()] - #td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) - #self._submit_task(td, series = 1) - - def generate_fft_stage(self, structure = None, path="pbd_files.txt"): - return - #cfg = self.cfg.dft - #stage_api = self.api.dft - - #task_idx = 0 - #output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - #assert output_path is not None - - ## Update base parameters - #cfg.task_config.experiment_directory = self.cfg.experiment_directory - #cfg.task_config.stage_idx = self.stage_idx - #cfg.task_config.task_idx = task_idx - #cfg.task_config.node_local_path = self.cfg.node_local_path - #cfg.task_config.output_path = output_path - - ## Write yaml configuration - #cfg_path = stage_api.config_path(self.stage_idx, task_idx) - #assert cfg_path is not None - #cfg.task_config.dump_yaml(cfg_path) - #td = self.generate_task_description(cfg) - #td.arguments += ["-c", cfg_path.as_posix()] - #td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) - #self._submit_task(td, series = 1) - - def generate_md_stage(self, structure = None, path="pbd_files.txt"): - return - #cfg = self.cfg.dft - #stage_api = self.api.dft - - #task_idx = 0 - #output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - #assert output_path is not None - - ## Update base parameters - #cfg.task_config.experiment_directory = self.cfg.experiment_directory - #cfg.task_config.stage_idx = self.stage_idx - #cfg.task_config.task_idx = task_idx - #cfg.task_config.node_local_path = self.cfg.node_local_path - #cfg.task_config.output_path = output_path - - ## Write yaml configuration - #cfg_path = stage_api.config_path(self.stage_idx, task_idx) - #assert cfg_path is not None - #cfg.task_config.dump_yaml(cfg_path) - #td = self.generate_task_description(cfg) - #td.arguments += ["-c", cfg_path.as_posix()] - #td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) - #self._submit_task(td, series = 1) - - - - - -# ------------------------------------------------------------------------------ -# -if __name__ == '__main__': - ddmd = DDMD() - try: - ddmd.start() - while True: - #ddmd.dump() - time.sleep(1) - - finally: - ddmd.close() - - -# ------------------------------------------------------------------------------ diff --git a/src/NWchem_T1.py b/src/NWchem_T1.py deleted file mode 100644 index d83e13f..0000000 --- a/src/NWchem_T1.py +++ /dev/null @@ -1,905 +0,0 @@ -#!/usr/bin/env python3 - -# - initial ML force field exists -# - while iteration < X (configurable): -# - start DTF ( Ab-initio MD simulation ) (with all reasources) CPU only -# - start force field training task (FFTrain) (with all resources) CPU only -# - if DFT partially satisfy the uncertainty -# - Kill Half of the Ab-initio Tasks -# - Start DDMD with %50 CPU and %100 GPU -# - If DFT fully satisfy: -# - run 2nd DDMD loop (divide available resources between bot loop) -# - If DDMD1 finish run DDMD 2 with full resoureces - -# lower / upper bound on active num of simulations -# ddmd.get_last_n_sims ... - -# ------------------------------------------------------------------------------ -# - - -import os -import math, sys, argparse -import json -import time -import random -import signal -import threading as mt - -from collections import defaultdict - -import radical.pilot as rp -import radical.utils as ru - - -# ------------------------------------------------------------------------------ -# -class DDMD(object): - - # define task types (used as prefix on task-uid) - TASK_TRAIN_MODEL = 'task_train_model' # DDMD - TASK_TRAIN_FF = 'task_train_ff' # AB-initio - TASK_MD_DDMD = 'task_md_ddmd' # DDMD - TASK_MD_AI = 'task_md_ai' # AB-initio MD - TASK_DFT = 'task_dft' # Ab-inito - TASK_SELECT = 'task_select' # DDMD - TASK_AGENT = 'task_agent' # DDMD - - TASK_TYPES = [TASK_TRAIN_MODEL, - TASK_TRAIN_FF, - TASK_MD_DDMD, - TASK_MD_AI, - TASK_DFT, - TASK_SELECT, - TASK_AGENT] - - # these alues fall from heaven.... - ITER_AB_INITIO = 6 - ITER_DDMD = 6 - ITER_DDMD_1 = int(math.floor(ITER_AB_INITIO / 2)) - ITER_DDMD_2 = ITER_AB_INITIO - - # keep track of core usage - cores_used = 0 - gpus_used = 0 - avail_cores = 0 - avail_gpus = 0 - - # keep track the stage - stage = 0 # 0 no tasks started - # 1 only ab-initio - # 2 ab-initio + DDM1 - # 3 DDMD1 + DDMD2 - # 4 only DDMD2 - # 5 all done - - # -------------------------------------------------------------------------- - # - def __init__(self): - - # control flow table - self._protocol = {self.TASK_TRAIN_MODEL: self._control_train_model, - self.TASK_TRAIN_FF : self._control_train_ff , - self.TASK_MD_DDMD : self._control_md_ddmd , - self.TASK_MD_AI : self._control_md_ai , - self.TASK_DFT : self._control_dft , - self.TASK_SELECT : self._control_select , - self.TASK_AGENT : self._control_agent } - - self._glyphs = {self.TASK_TRAIN_MODEL: 'T', - self.TASK_TRAIN_FF : 't', - self.TASK_MD_DDMD : 'S', - self.TASK_MD_DDMD : 's', - self.TASK_DFT : 'd', - self.TASK_SELECT : 'L', - self.TASK_AGENT : 'A',} - - # bookkeeping - self._iter = 0 - self._iterDDMD1 = 0 - self._iterDDMD2 = 0 - self._threshold = 1 - self._cores = 16 # available cpu resources - self._gpus = 4 # available gpu resources - self._avail_cores = self._cores - self._avail_gpus = self._gpus - self._cores_used = 0 - self._gpus_used = 0 - self._ddmd_tasks = 0 - - self._lock = mt.RLock() - self._series = [1, 2] - self._uids = {s:list() for s in self._series} - - self._tasks = {s: {ttype: dict() for ttype in self.TASK_TYPES} - for s in self._series} - - self._final_tasks = list() - - # silence RP reporter, use own - os.environ['RADICAL_REPORT'] = 'false' - self._rep = ru.Reporter('ddmd') - self._rep.title('DDMD') - - # RP setup - self._session = rp.Session() - self._pmgr = rp.PilotManager(session=self._session) - self._tmgr = rp.TaskManager(session=self._session) - - pdesc = rp.PilotDescription({'resource': 'local.localhost', - 'runtime' : 30, -# 'runtime' : 4, - 'cores' : self._cores}) -# 'cores' : 1}) - self._pilot = self._pmgr.submit_pilots(pdesc) - - self._tmgr.add_pilots(self._pilot) - self._tmgr.register_callback(self._state_cb) - # Parser - self.env_work_dir = os.getenv("MINI_APP_DeepDriveMD_DIR") - if self.env_work_dir is None: - print("Warning: Did not set up work_dir using env var, need to set it up in parser manually!") - self.set_argparse() - self.get_json() - - # -------------------------------------------------------------------------- - # - - def set_resource(self, res_desc): - self.resource_desc = res_desc - - # -------------------------------------------------------------------------- - # - def set_argparse(self): - parser = argparse.ArgumentParser(description="DeepDriveMD_miniapp_EnTK_serial") - - parser.add_argument('--num_phases', type=int, default=3, - help='number of phases in the workflow') - parser.add_argument('--mat_size', type=int, default=5000, - help='the matrix with have size of mat_size * mat_size') - parser.add_argument('--data_root_dir', default='./', - help='the root dir of gsas output data') - parser.add_argument('--num_step', type=int, default=1000, - help='number of step in MD simulation') - parser.add_argument('--num_epochs_train', type=int, default=150, - help='number of epochs in training task') - parser.add_argument('--model_dir', default='./', - help='the directory where save and load model') - parser.add_argument('--conda_env', default=None, - help='the conda env where numpy/cupy installed, if not specified, no env will be loaded') - parser.add_argument('--num_sample', type=int, default=500, - help='num of samples in matrix mult (training and agent)') - parser.add_argument('--num_mult_train', type=int, default=4000, - help='number of matrix mult to perform in training task') - parser.add_argument('--dense_dim_in', type=int, default=12544, - help='dim for most heavy dense layer, input') - parser.add_argument('--dense_dim_out', type=int, default=128, - help='dim for most heavy dense layer, output') - parser.add_argument('--preprocess_time_train', type=float, default=20.0, - help='time for doing preprocess in training') - parser.add_argument('--preprocess_time_agent', type=float, default=10.0, - help='time for doing preprocess in agent') - parser.add_argument('--num_epochs_agent', type=int, default=10, - help='number of epochs in agent task') - parser.add_argument('--num_mult_agent', type=int, default=4000, - help='number of matrix mult to perform in agent task, inference') - parser.add_argument('--num_mult_outlier', type=int, default=10, - help='number of matrix mult to perform in agent task, outlier') - parser.add_argument('--enable_darshan', action='store_true', - help='enable darshan analyze') - parser.add_argument('--project_id', required=True, - help='the project ID we used to launch the job') - parser.add_argument('--queue', required=True, - help='the queue we used to submit the job') - parser.add_argument('--work_dir', default=self.env_work_dir, - help='working dir, which is the dir of this repo') - parser.add_argument('--num_sim', type=int, default=12, - help='number of tasks used for simulation') - parser.add_argument('--num_nodes', type=int, default=3, - help='number of nodes used for simulation') - parser.add_argument('--io_json_file', default="io_size.json", - help='the filename of json file for io size') - - args = parser.parse_args() - self.args = args - - def get_json(self): - json_file = "{}/launch-scripts/{}".format(self.args.work_dir, self.args.io_json_file) - with open(json_file) as f: - self.io_dict = json.load(f) - - def get_arguments(self, ttype, argument_val=""): - - #FIXME OK: find correct Phase and i= task id - phase_idx = 0 - i = 0 - - args = [] - - if ttype == self.TASK_MD_DDMD: - args = ['{}/sim/lammps/main_ase_lammps.py'.format(self.args.work_dir), - '{}'.format(argument_val.split("|")[0]), # get pbd file path here #FIXME - '{}'.format(argument_val.split("|")[1])] # get test dir path here #FIXME - - elif ttype == self.TASK_DFT1: - args = ['{}/sim/nwchem/main1_nwchem.py'.format(self.args.work_dir)] - elif ttype == self.TASK_DFT2: - args = ['{}/sim/nwchem/main2_nwchem.py'.format(self.args.work_dir), - '{}'.format(argument_val)] # this will need to get the instance - elif ttype == self.TASK_DFT3: - args = ['{}/sim/nwchem/main3_nwchem.py'.format(self.args.work_dir)] - - elif ttype == self.TASK_TRAIN_FF: - args = ['{}/model/deepm/main_deepmd.py'.format(self.args.work_dir), - '{}'.format(argument_val)] #training folder name - - elif ttype == self.TASK_TRAIN_MODEL: - args = ['{}/Executables/training.py'.format(self.args.work_dir), - '--num_epochs={}'.format(self.args.num_epochs_train), - '--device=gpu', - '--phase={}'.format(phase_idx), - '--data_root_dir={}'.format(self.args.data_root_dir), - '--model_dir={}'.format(self.args.model_dir), - '--num_sample={}'.format(self.args.num_sample * (1 if phase_idx == 0 else 2)), - '--num_mult={}'.format(self.args.num_mult_train), - '--dense_dim_in={}'.format(self.args.dense_dim_in), - '--dense_dim_out={}'.format(self.args.dense_dim_out), - '--mat_size={}'.format(self.args.mat_size), - '--preprocess_time={}'.format(self.args.preprocess_time_train), - '--write_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["train"]["write"]), - '--read_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["train"]["read"])] - - - elif ttype == self.TASK_AGENT: - args = ['{}/Executables/agent.py'.format(self.args.work_dir), - '--num_epochs={}'.format(self.args.num_epochs_agent), - '--device=gpu', - '--phase={}'.format(phase_idx), - '--data_root_dir={}'.format(self.args.data_root_dir), - '--model_dir={}'.format(self.args.model_dir), - '--num_sample={}'.format(self.args.num_sample), - '--num_mult={}'.format(self.args.num_mult_agent), - '--num_mult_outlier={}'.format(self.args.num_mult_outlier), - '--dense_dim_in={}'.format(self.args.dense_dim_in), - '--dense_dim_out={}'.format(self.args.dense_dim_out), - '--mat_size={}'.format(self.args.mat_size), - '--preprocess_time={}'.format(self.args.preprocess_time_agent), - '--write_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["agent"]["write"]), - '--read_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["agent"]["read"])] - - - elif ttype == self.TASK_SELECT: - args = ['{}/Executables/selection.py'.format(self.args.work_dir), - '--phase={}'.format(phase_idx), - '--mat_size={}'.format(self.args.mat_size), - '--data_root_dir={}'.format(self.args.data_root_dir), - '--write_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["selection"]["write"]), - '--read_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["selection"]["read"])] - - - return args - - - - # -------------------------------------------------------------------------- - # - def __del__(self): - - self.close() - - - # -------------------------------------------------------------------------- - # - def close(self): - - if self._session is not None: - self._session.close(download=True) - self._session = None - - - # -------------------------------------------------------------------------- - # - def dump(self, task=None, msg=''): - ''' - dump a representation of current task set to stdout - ''' - - # this assumes one core per task - - self._rep.plain('<<|') - - idle = self._cores - - for ttype in self.TASK_TYPES: - - n = 0 - for series in self._series: - n += len(self._tasks[series][ttype]) - idle -= n - - self._rep.ok('%s' % self._glyphs[ttype] * n) - - self._rep.plain('%s' % '-' * idle + - '| %4d [%4d]' % (self._cores_used, self._cores)) - - if task and msg: - self._rep.plain(' %-15s: %s\n' % (task.uid, msg)) - else: - if task: - msg = task - self._rep.plain(' %-15s: %s\n' % (' ', msg)) - - - # -------------------------------------------------------------------------- - # - def start(self): - ''' - submit initial set of Ab-initio MD similation tasks DFT - ''' - - self.dump('submit MD simulations') - - # start ab-initio loop - self.stage = 1 - self._ab_initio(self.TASK_DFT, series=1) - - # def control_exec(self, rules = None): - # if rules["stage"] < 0: - # self.dump("Stage cannot be negatif there is an error") - # self.stop() - - # if self._avail_cores >= rules["n_cpus"] and self._avail_gpus >= rules["n_gpus"]: - # self._submit_task(rules) - # else: - # #FIXME OK this is hard I need to think about this a bit more for know there will be multiple controler - - - - - - # -------------------------------------------------------------------------- - # - def _ab_initio(self, ttype, series): - - - # Ab-Inito tasks only uses CPU - - self.dump('next ab-initio iter: requested') - - # FIXME OK: currently we assume only 1 CPU per task - # To fix this we need to ask user to define how may cpus 1 task may use. - n_tasks = self._cores - - if ttype == self.TASK_TRAIN_FF: - if self.stage == 2: - n_tasks = int(math.floor((self._cores - self._ddmd_tasks)/2)) - self._submit_task(self.TASK_MD_AI, n=n_tasks, series=1) - return - - if ttype == self.TASK_DFT: - if self.stage == 2: - n_tasks = int(math.floor((self._cores - self._ddmd_tasks)/2)) - - for i in range(4): - self._submit_task(self.TASK_TRAIN_FF, n=1, series=1, argvals="train{}".format(i))#FIXME argvals needs to be 4 - return - - - self._iter += 1 - - uids = list() - for series in self._series: - for ttype in self._tasks[series]: - if ttype in [self.TASK_MD_DDMD, self.TASK_TRAIN_MODEL, - self.TASK_AGENT, self.TASK_SELECT]: - continue - uids.extend(self._tasks[series][ttype].keys()) - - # cancel necessary tasks from ab-initio iteration - if self._iter == self.ITER_DDMD_1: - self.dump('ab-initio iter Partially Satisfy: Start DDMD1') - - - tts = list(self._tasks[series][self.TASK_TRAIN_FF].keys()) - dtfs = list(self._tasks[series][self.TASK_DFT].keys()) - - # to_cancel = int(math.floor(len(uids) / 2)) - to_cancel = int(math.floor((self._cores - self._ddmd_tasks)/2)) - - self.dump('Number of tasks to CANCEL: %s' % to_cancel) - self._ddmd_tasks = to_cancel - - if len(dtfs) >= to_cancel: - random_uids = random.sample(dtfs, to_cancel) - self._cancel_tasks(random_uids) - - else: - self._cancel_tasks(dtfs) - to_cancel = to_cancel - len(dtfs) - - if len(tts) >= to_cancel: - random_uids = random.sample(tts, to_cancel) - self._cancel_tasks(random_uids) - - else: - self._cancel_tasks(tts) - - # we use use 50% of resources for DDMD tasks now - # (other 50% are reserved for ab-initio) - self.stage = 2 - - # self._submit_task(self.TASK_TRAIN_MODEL, n=self._ddmd_tasks, series=1) - self.control_DDMD(self.TASK_MD_DDMD, series=1) - - - elif self._iter >= self.ITER_DDMD_2: - self.dump('Ab-initio Is done Start DDMD2') - - - self._cancel_tasks(uids) - - # ab-initio completed, we use up to 100% for MD tasks - self.stage =3 - - # self._submit_task(self.TASK_TRAIN_MODEL, n=self._ddmd_tasks, series=2) - self.control_DDMD(self.TASK_MD_DDMD, series=2) - return - - - # If I reach hear I will start next batch of DFT tasks (assume one core per task) - # FIXME: task numbers - n_tasks = self._cores - self._ddmd_tasks - self._submit_task(self.TASK_DFT, n=n_tasks, series=1) - - self.dump('next ab-initio iter: started %s DFT' - % (self._cores - self._cores_used)) - - # -------------------------------------------------------------------------- - def control_DDMD (self, ttype, series): - # This function control how many resources available for and given DDMD task - self.dump("Starting %s "%ttype) - - # Check which stage we are in and set Core counts accordingly - # FIXME OK: for now I will assume we create N task with mutliple resources - # Where N = #cpus/#gpus - # we can always change this later - - cpus = 0 - gpus = 0 - ntask = 0 - - if self.stage <=0 or self.stage >=5: - self.dump("Something went wrong") - self.stop() - elif self.stage == 1: - # In here we only should have ab-initio code running - self.dump("Error: Only ab-initio should have been running here") - self.stop() - elif self.stage == 2: - # here we have ab-initio and DDMD 1 - self.dump('Ab-initio still runs use 50% CPU and 100% GPU') - cpus = int (math.floor(self._cores / 2)) # or self._ddmd_tasks - gpus = self._gpus - elif self.stage == 3: - # here we have ab-initio and DDMD 1 - self.dump('DDMD1 and DDMD2 runs use 50% CPU and GPU') - cpus = int (math.floor(self._cores / 2)) - gpus = int (math.floor(self._gpus / 2)) - elif self.stage == 4: - # here we have ab-initio and DDMD 1 - self.dump('DDMD2 only use 100% CPU and GPU') - cpus = self._cores - gpus = self._gpus - - if ttype == self.TASK_AGENT: - ntask = 1 - cpus = 1 - gpus = 1 - - if ttype == self.TASK_SELECT: - ntask = 1 -# cpus = self._cores - - if ttype in [self.TASK_TRAIN_MODEL, self.TASK_MD_DDMD]: - ntask = gpus - cpus = int (math.floor(cpus / gpus)) - gpus = 1 - - if ttype == self.TASK_MD_DDMD: - if self._iterDDMD1 >= ITER_DDMD and self._iterDDMD2 >= ITER_DDMD: - self.dump("We are done:") - self.stop() - - if series == 1: - if self._iterDDMD1 >= ITER_DDMD: - self.stage = 4 - #FIXME OK We need to decide what to do at this point - #For now I will wait for any stage from DDMD2 to finish - return - else: - self._iterDDMD1+=1 - elif series == 2: - if self._iterDDMD2 >= ITER_DDMD: - self.dump("ERROR: For some reason there is still DDMD 1 running") - self.stop() - else: - self._iterDDMD2+=1 - - self._submit_task(ttype, n=ntask, cpu=cpus, gpu=gpus, series=1) - - - # -------------------------------------------------------------------------- - # - def stop(self): - - os.kill(os.getpid(), signal.SIGKILL) - os.kill(os.getpid(), signal.SIGTERM) - - - # -------------------------------------------------------------------------- - # - def _get_ttype(self, uid): - ''' - get task type from task uid - ''' - - ttype = uid.split('.')[0] - - assert ttype in self.TASK_TYPES, 'unknown task type: %s' % uid - return ttype - - - # -------------------------------------------------------------------------- - # - def _submit_task(self, ttype, args=None, n=1, cpu=1, gpu=0, series: int=1, argvals=''): - ''' - submit 'n' new tasks of specified type - - NOTE: all tasks are uniform for now: they use a single core and sleep - for a random number (0..3) of seconds. - ''' - - # with self._lock: - - # tds = list() - # for _ in range(n): - - # t_sleep = int(random.randint(0,30) / 10) + 3 - # result = int(random.randint(0,10) / 1) - - # uid = ru.generate_id('%s.%03d' % (ttype, self._iter)) - # tds.append(rp.TaskDescription({ - # 'uid' : uid, - # 'cpu_processes': cpu, - # 'gpus' : gpu, - # 'executable' : '/bin/sh', - # 'arguments' : ['-c', 'sleep %s; echo %s %s' % - # (t_sleep, result, args)] - # })) - - # tasks = self._tmgr.submit_tasks(tds) - - # NOTE Here I will try to add all Mini-app tasks - - cur_args = self.get_arguments(ttype, argument_val=argvals) - - with self._lock: - - tds = list() - for _ in range(n): - - tds.append(rp.TaskDescription({ - 'uid' : ttype, - 'ranks' : 1, - 'cores_per_rank' : cpu, - 'gpus_per_rank' : gpu, - 'executable' : 'python', - 'arguments' : cur_args - })) - - tasks = self._tmgr.submit_tasks(tds) - - for task in tasks: - self._register_task(task, series=series) - - - # -------------------------------------------------------------------------- - # - def _cancel_tasks(self, uids): - ''' - cancel tasks with the given uids, and unregister them - ''' - - uids = ru.as_list(uids) - - # FIXME AM: does not work - self._tmgr.cancel_tasks(uids) - - for uid in uids: - - series = self._get_series(uid=uid) - ttype = self._get_ttype(uid) - task = self._tasks[series][ttype][uid] - self.dump(task, 'cancel [%s]' % task.state) - - self._unregister_task(task) - - self.dump('cancelled') - - - # -------------------------------------------------------------------------- - # - def _register_task(self, task, series: int): - ''' - add task to bookkeeping - ''' - - with self._lock: - - ttype = self._get_ttype(task.uid) - - self._uids[series].append(task.uid) - - self._tasks[series][ttype][task.uid] = task - - cores = task.description['cpu_processes'] \ - * task.description['cpu_threads'] - self._cores_used += cores - - gpus = task.description['gpu_processes'] - self._gpus_used += gpus - - - # -------------------------------------------------------------------------- - # - def _unregister_task(self, task): - ''' - remove completed task from bookkeeping - ''' - - with self._lock: - - series = self._get_series(task) - ttype = self._get_ttype(task.uid) - - if task.uid not in self._tasks[series][ttype]: - return - - # remove task from bookkeeping - self._final_tasks.append(task.uid) - del self._tasks[series][ttype][task.uid] - self.dump(task, 'unregister %s' % task.uid) - - cores = task.description['cpu_processes'] \ - * task.description['cpu_threads'] - self._cores_used -= cores - - gpus = task.description['gpu_processes'] - self._gpus_used -= gpus - - - # -------------------------------------------------------------------------- - # - def _state_cb(self, task, state): - ''' - act on task state changes according to our protocol - ''' - - try: - return self._checked_state_cb(task, state) - - except Exception as e: - self._rep.exception('\n\n---------\nexception caught: %s\n\n' % repr(e)) - ru.print_exception_trace() - self.stop() - - - # -------------------------------------------------------------------------- - # - def _checked_state_cb(self, task, state): - - # this cb will react on task state changes. Specifically it will watch - # out for task completion notification and react on them, depending on - # the task type. - - if state in [rp.TMGR_SCHEDULING] + rp.FINAL: - self.dump(task, ' -> %s' % task.state) - - # ignore all non-final state transitions - if state not in rp.FINAL: - return - - # ignore tasks which were already completed - if task.uid in self._final_tasks: - return - - # lock bookkeeping - with self._lock: - - # raise alarm on failing tasks (but continue anyway) - if state == rp.FAILED: - self._rep.error('task %s failed: %s' % (task.uid, task.stderr)) - self.stop() - - # control flow depends on ttype - ttype = self._get_ttype(task.uid) - action = self._protocol[ttype] - if not action: - self._rep.exit('no action found for task %s' % task.uid) - action(task) - - # remove final task from bookkeeping - self._unregister_task(task) - - - # -------------------------------------------------------------------------- - # - def _get_series(self, task=None, uid=None): - - if uid: - # look up by uid - for series in self._series: - if uid in self._uids[series]: - return series - - else: - # look up by task type - for series in self._series: - if task.uid in self._uids[series]: - return series - - raise ValueError('task does not belong to any serious') - - - # -------------------------------------------------------------------------- - # - def _control_train_model(self, task): - ''' - react on completed MD simulation task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_TRAIN_MODEL]) > 1: - return - - self.dump(task, 'completed model train') - - # FIXME OK: allways trigger control_DDMD() - self.control_DDMD(self.TASK_SELECT, series) - - # -------------------------------------------------------------------------- - # - def _control_md_ai(self, task): - ''' - react on completed ff training task - ''' - - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_MD_AI]) > 1: - return - - self.dump(task, 'completed ab-initio md ') - self._ab_initio(self.TASK_MD_AI, series) - - - - # -------------------------------------------------------------------------- - # - def _control_train_ff(self, task): - ''' - react on completed ff training task - ''' - - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_TRAIN_FF]) > 1: - return - - self.dump(task, 'completed ff train') - self._ab_initio(self.TASK_DFT, series) - - # -------------------------------------------------------------------------- - # - def _control_dft1(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT1]) > 1: - return - - # TODO READ the inputs.txt - # submit self.TASK_DFT2 for each line - - self.dump(task, 'completed dft1') - self._submit_task() #TODO submit self.TASK_DFT2 - - # -------------------------------------------------------------------------- - # - def _control_dft2(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT2]) > 1: - return - - self.dump(task, 'completed dft') -# self._ab_initio(self.TASK_TRAIN_FF, series) - #TODO : submit self.TASK_DFT3 - - - # -------------------------------------------------------------------------- - # - def _control_dft3(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT3]) > 1: - return - - self.dump(task, 'completed dft') - self._ab_initio(self.TASK_TRAIN_FF, series) - - - # -------------------------------------------------------------------------- - # - def _control_select(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_SELECT]) > 1: - return - - self.dump(task, 'completed selection') - self.control_DDMD(self.TASK_AGENT, series) - - # -------------------------------------------------------------------------- - # - def _control_md_ddmd(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_SELECT]) > 1: - return - - self.dump(task, 'completed MD') - self.control_DDMD(self.TASK_TRAIN_MODEL, series) - - - - # -------------------------------------------------------------------------- - # - def _control_agent(self, task): - ''' - react on completed DDMD agent task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_AGENT]) > 1: - return - - self.dump(task, 'completed Agent') - - - - # FIXME OK: allways trigger control_DDMD() - self.control_DDMD(self.TASK_MD_DDMD, series) - - -# ------------------------------------------------------------------------------ -# -if __name__ == '__main__': - # Apparently there is no main(?) - pass - -# ------------------------------------------------------------------------------ diff --git a/src/NWchem_async.py b/src/NWchem_async.py deleted file mode 100644 index 31d7c56..0000000 --- a/src/NWchem_async.py +++ /dev/null @@ -1,1008 +0,0 @@ -#!/usr/bin/env python3 - -# - initial ML force field exists -# - while iteration < X (configurable): -# - start DTF ( Ab-initio MD simulation ) (with all reasources) CPU only -# - start force field training task (FFTrain) (with all resources) CPU only -# - if DFT partially satisfy the uncertainty -# - Kill Half of the Ab-initio Tasks -# - Start DDMD with %50 CPU and %100 GPU -# - If DFT fully satisfy: -# - run 2nd DDMD loop (divide available resources between bot loop) -# - If DDMD1 finish run DDMD 2 with full resoureces - -# lower / upper bound on active num of simulations -# ddmd.get_last_n_sims ... - -# ------------------------------------------------------------------------------ -# - -# This one will run synchronously -import os -import math, sys, argparse -import json -import time -import random -import signal -import threading as mt - -from collections import defaultdict - -import radical.pilot as rp -import radical.utils as ru - -import itertools -import shutil -from pathlib import Path -from typing import List, Optional - - -from deepdrivemd.config import BaseStageConfig, ExperimentConfig -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.utils import parse_args - - -# ------------------------------------------------------------------------------ -# This is the main class -# TODO: Maybe we need a base class and multiple classes for DDMD and AB-INITIO -class DDMD(object): - - # define task types (used as prefix on task-uid) - # AB-INITIO TASKS - TASK_TRAIN_FF = 'task_train_ff' # AB-initio-FF-training - TASK_MD = 'task_md' # AB-initio MD-simulation - TASK_DFT1 = 'task_dft1' # Ab-inito DFT prep - TASK_DFT2 = 'task_dft' # Ab-inito DFT calculation - TASK_DFT3 = 'task_dft' # Ab-inito DFT finalize - # DDMD TASKS - TASK_DDMD_MD = 'task_ddmd_md' # DDMD MD-Simulation - TASK_DDMD_TRAIN = 'task_ddmd_train' # DDMD Training - TASK_DDMD_SELECTION = 'task_ddmd_selection' # DDMD Selection - TASK_DDMD_AGENT = 'task_ddmd_agent' # DDMD Agent - - TASK_TYPES = [TASK_TRAIN_FF, - TASK_DDMD, - TASK_MD, - TASK_DFT1, - TASK_DFT2, - TASK_DFT3, - TASK_DDMD_MD, - TASK_DDMD_TRAIN, - TASK_DDMD_SELECTION, - TASK_DDMD_AGENT] - - # these alues fall from heaven.... - # We need to have a swich condition here. - ITER_AB_INITIO = 6 - ITER_DDMD = 6 - ITER_DDMD_1 = int(math.floor(ITER_AB_INITIO / 2)) - ITER_DDMD_2 = ITER_AB_INITIO - - # keep track of core usage - cores_used = 0 - gpus_used = 0 - avail_cores = 0 - avail_gpus = 0 - - # keep track the stage - stage = 0 # 0 no tasks started - # 1 only ab-initio - # 2 ab-initio + DDM1 - # 3 DDMD1 + DDMD2 - # 4 only DDMD2 - # 5 all done - - # -------------------------------------------------------------------------- - # - def __init__(self): - - # control flow table - self._protocol = {self.TASK_TRAIN_FF : self._control_train_ff , - self.TASK_MD : self._control_md , - self.TASK_DFT1 : self._control_dft1 , - self.TASK_DFT2 : self._control_dft2 , - self.TASK_DFT3 : self._control_dft3 , - self.TASK_DDMD_MD : self._control_ddmd_md , - self.TASK_DDMD_TRAIN : self._control_ddmd_train , - self.TASK_DDMD_SELECTION : self._control_ddmd_selection , - self.TASK_DDMD_AGENT : self._control_ddmd_agent } - - self._glyphs = {self.TASK_TRAIN_FF : 't', - self.TASK_MD : 'm', - self.TASK_DFT1 : 'i', - self.TASK_DFT2 : 'd', - self.TASK_DFT3 : 'e', - self.TASK_DDMD_MD : 'M', - self.TASK_DDMD_TRAIN : 'T', - self.TASK_DDMD_SELECTION : 'S', - self.TASK_DDMD_AGENT : 'A', - - # bookkeeping - # FIXME There are lots off un used item here - self._iter = 0 - self._iterDDMD1 = 0 - self._iterDDMD2 = 0 - self._threshold = 1 - self._cores = 16 # available cpu resources FIXME: maybe get from the user? - self._gpus = 4 # available gpu resources "" - self._avail_cores = self._cores - self._avail_gpus = self._gpus - self._cores_used = 0 - self._gpus_used = 0 - self._ddmd_tasks = 0 - - # FIXME Make sure everything is needed. - self._lock = mt.RLock() - self._series = [1, 2] - self._uids = {s:list() for s in self._series} - - self._tasks = {s: {ttype: dict() for ttype in self.TASK_TYPES} - for s in self._series} - - self._final_tasks = list() - - # silence RP reporter, use own - os.environ['RADICAL_REPORT'] = 'false' - self._rep = ru.Reporter('nwchem') - self._rep.title('NWCHEM') - - # RP setup - self._session = rp.Session() - self._pmgr = rp.PilotManager(session=self._session) - self._tmgr = rp.TaskManager(session=self._session) - - # Maybe get from user?? - pdesc = rp.PilotDescription({'resource': 'local.localhost', - 'runtime' : 30, -# 'runtime' : 4, - 'cores' : self._cores}) -# 'cores' : 1}) - self._pilot = self._pmgr.submit_pilots(pdesc) - - self._tmgr.add_pilots(self._pilot) - self._tmgr.register_callback(self._state_cb) - - # Parser - self.set_argparse() - self.get_json() - - #set aditional DDMD related setups: - - #FIXME: Makesure the names are not conflicting with others - args = parse_args() - cfg = ExperimentConfig.from_yaml(args.config) - - # Calculate total number of nodes required. - # If gpus_per_node is 0, then we assume that the CPU is used for - # simulation, in which case we request a node per simulation task. - # Otherwise, we assume that each simulation task uses a single GPU. - if cfg.gpus_per_node == 0: - num_nodes = cfg.molecular_dynamics_stage.num_tasks - else: - num_nodes, extra_gpus = divmod( - cfg.molecular_dynamics_stage.num_tasks, cfg.gpus_per_node - ) - # If simulations don't pack evenly onto nodes, add an extra node - num_nodes += int(extra_gpus > 0) - - num_nodes = max(1, num_nodes) - - #FIXME maybe we can use this but we need to be carefull here. - ddmd_pilot_desc = rp.PilotDescription.({ - "resource": cfg.resource, - "queue": cfg.queue, - "access_schema": cfg.schema_, - "walltime": cfg.walltime_min, - "project": cfg.project, - "cpus": cfg.cpus_per_node * cfg.hardware_threads_per_cpu * num_nodes, - "gpus": cfg.gpus_per_node * num_nodes}) - - api = DeepDriveMD_API(cfg.experiment_directory) - - # -------------------------------------------------------------------------- - # -------------------------------------------------------------------------- - # ---------FUNCINALITIES FROM DDME------------------------------------------ - # -------------------------------------------------------------------------- - # -------------------------------------------------------------------------- - # this needs to converted to the RP task: - #TODO Andre. - def generate_task_description(cfg: BaseStageConfig) -> rp.TaskDescription: - td = rp.TaskDescription() - td.ranks = cfg.cpu_reqs.cpu_processes - td.cores_per_rank = cfg.cpu_reqs.cpu_threads - td.gpus_per_rank = cfg.gpu_reqs.gpu_processes - td.pre_exec = copy.deepcopy(cfg.pre_exec) - td.executable = copy.deepcopy(cfg.executable) - td.arguments = copy.deepcopy(cfg.arguments) - return td - - -#we don't need this - def _init_experiment_dir(self) -> None: - # Make experiment directories - self.cfg.experiment_directory.mkdir() - self.api.molecular_dynamics_stage.runs_dir.mkdir() - self.api.aggregation_stage.runs_dir.mkdir() - self.api.machine_learning_stage.runs_dir.mkdir() - self.api.model_selection_stage.runs_dir.mkdir() - self.api.agent_stage.runs_dir.mkdir() - -#FIXME Probably neeed to delete this one but I am not sure since it is checking max iteration - def func_condition(self) -> None: - if self.stage_idx < self.cfg.max_iteration: - self.func_on_true() - else: - self.func_on_false() - -#FIXME we definitly dont need following -# def func_on_true(self) -> None: -# print(f"Finishing stage {self.stage_idx} of {self.cfg.max_iteration}") -# self._generate_pipeline_iteration() -# -# def func_on_false(self) -> None: -# print("Done") -# -# def _generate_pipeline_iteration(self) -> None: -# -# self.pipeline.add_stages(self.generate_molecular_dynamics_stage()) -# -# if not cfg.aggregation_stage.skip_aggregation: -# self.pipeline.add_stages(self.generate_aggregating_stage()) -# -# if self.stage_idx % cfg.machine_learning_stage.retrain_freq == 0: -# self.pipeline.add_stages(self.generate_machine_learning_stage()) -# self.pipeline.add_stages(self.generate_model_selection_stage()) -# -# agent_stage = self.generate_agent_stage() -# agent_stage.post_exec = self.func_condition -# self.pipeline.add_stages(agent_stage) -# -# self.stage_idx += 1 -# -# def generate_pipelines(self) -> List[Pipeline]: -# self._generate_pipeline_iteration() -# return [self.pipeline] - - - - - - - #TODO Andre. -# def generate_molecular_dynamics_stage(self) -> Stage: - def generate_molecular_dynamics_stage(self): -# stage = Stage() -# stage.name = self.MOLECULAR_DYNAMICS_STAGE_NAME - # I created a List instead of the Stage - tds =[] - cfg = self.cfg.molecular_dynamics_stage - stage_api = self.api.molecular_dynamics_stage - - if self.stage_idx == 0: - initial_pdbs = self.api.get_initial_pdbs(cfg.task_config.initial_pdb_dir) - filenames: Optional[itertools.cycle[Path]] = itertools.cycle(initial_pdbs) - else: - filenames = None - - for task_idx in range(cfg.num_tasks): - - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - if self.stage_idx == 0: - assert filenames is not None - cfg.task_config.pdb_file = next(filenames) - else: - cfg.task_config.pdb_file = None - - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - #FIXME ANDRE can you check if this makes sense? - #TODO ANDRE also do you think if there is a issue submitting tasks back to back here - # versus using n=cfg.num_tasks? - # I submit a single task here in a loop since - # it is setting taskid and probably output_path for each task - td.uid = self.TASK_DDMD_MD - self._submit_task(td, series = 1) - tds.append(td) - -# return stage - return tds - - #TODO Andre. - #TODO HUUB: DO we have aggregation stage? -# def generate_aggregating_stage(self) -> Stage: - def generate_aggregating_stage(self): -# stage = Stage() -# stage.name = self.AGGREGATION_STAGE_NAME - - cfg = self.cfg.aggregation_stage - stage_api = self.api.aggregation_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - #FIXME ANDRE can you check if this makes sense? - td.uid = self.TASK_DDMD_SELECTION - self._submit_task(td, series = 1) - - return [td] - - #TODO Andre. -# def generate_machine_learning_stage(self) -> Stage: - def generate_machine_learning_stage(self): -# stage = Stage() -# stage.name = self.MACHINE_LEARNING_STAGE_NAME - cfg = self.cfg.machine_learning_stage - stage_api = self.api.machine_learning_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - cfg.task_config.model_tag = stage_api.unique_name(output_path) - if self.stage_idx > 0: - # Machine learning should use model selection API - cfg.task_config.init_weights_path = None - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posiix()] - #FIXME ANDRE can you check if this makes sense? - td.uid = self.TASK_DDMD_TRAIN - self._submit_task(td, series = 1) - return [td] - - #TODO Andre. -# def generate_model_selection_stage(self) -> Stage: - def generate_model_selection_stage(self): -# stage = Stage() -# stage.name = self.MODEL_SELECTION_STAGE_NAME - cfg = self.cfg.model_selection_stage - stage_api = self.api.model_selection_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - #FIXME ANDRE can you check if this makes sense? - td.uid = self.TASK_DDMD_SELECTION - self._submit_task(td, series = 1) - - return [td] - - #TODO Andre. -# def generate_agent_stage(self) -> Stage: - def generate_agent_stage(self): -# stage = Stage() -# stage.name = self.AGENT_STAGE_NAME - cfg = self.cfg.agent_stage - stage_api = self.api.agent_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - #FIXME ANDRE can you check if this makes sense? - td.uid = self.TASK_DDMD_AGENT - self._submit_task(td, series = 1) - return [td] - - - - # -------------------------------------------------------------------------- - def set_argparse(self): - parser = argparse.ArgumentParser(description="NWChem - DeepDriveMD Synchronous") - #FIXME Delete unneded ones and add the ones we need. - parser.add_argument('--num_phases', type=int, default=3, - help='number of phases in the workflow') - parser.add_argument('--mat_size', type=int, default=5000, - help='the matrix with have size of mat_size * mat_size') - parser.add_argument('--data_root_dir', default='./', - help='the root dir of gsas output data') - parser.add_argument('--num_step', type=int, default=1000, - help='number of step in MD simulation') - parser.add_argument('--num_epochs_train', type=int, default=150, - help='number of epochs in training task') - parser.add_argument('--model_dir', default='./', - help='the directory where save and load model') - parser.add_argument('--conda_env', default=None, - help='the conda env where numpy/cupy installed, if not specified, no env will be loaded') - parser.add_argument('--num_sample', type=int, default=500, - help='num of samples in matrix mult (training and agent)') - parser.add_argument('--num_mult_train', type=int, default=4000, - help='number of matrix mult to perform in training task') - parser.add_argument('--dense_dim_in', type=int, default=12544, - help='dim for most heavy dense layer, input') - parser.add_argument('--dense_dim_out', type=int, default=128, - help='dim for most heavy dense layer, output') - parser.add_argument('--preprocess_time_train', type=float, default=20.0, - help='time for doing preprocess in training') - parser.add_argument('--preprocess_time_agent', type=float, default=10.0, - help='time for doing preprocess in agent') - parser.add_argument('--num_epochs_agent', type=int, default=10, - help='number of epochs in agent task') - parser.add_argument('--num_mult_agent', type=int, default=4000, - help='number of matrix mult to perform in agent task, inference') - parser.add_argument('--num_mult_outlier', type=int, default=10, - help='number of matrix mult to perform in agent task, outlier') - parser.add_argument('--enable_darshan', action='store_true', - help='enable darshan analyze') - parser.add_argument('--project_id', required=True, - help='the project ID we used to launch the job') - parser.add_argument('--queue', required=True, - help='the queue we used to submit the job') - parser.add_argument('--work_dir', default=self.env_work_dir, - help='working dir, which is the dir of this repo') - parser.add_argument('--num_sim', type=int, default=12, - help='number of tasks used for simulation') - parser.add_argument('--num_nodes', type=int, default=3, - help='number of nodes used for simulation') - parser.add_argument('--io_json_file', default="io_size.json", - help='the filename of json file for io size') - - args = parser.parse_args() - self.args = args - - # FIXME: This is unused now but we may want to use a json file in the future - def get_json(self): - json_file = "{}/launch-scripts/{}".format(self.args.work_dir, self.args.io_json_file) - with open(json_file) as f: - self.io_dict = json.load(f) - - # FIXME do not use argument_val and get them from the user using arguments - def get_arguments(self, ttype, argument_val=""): - args = [] - - if ttype == self.TASK_MD: - args = ['{}/sim/lammps/main_ase_lammps.py'.format(self.args.work_dir), - '{}'.format(argument_val.split("|")[0]), # get pbd file path here #FIXME - '{}'.format(argument_val.split("|")[1])] # get test dir path here #FIXME - - elif ttype == self.TASK_DFT1: - args = ['{}/sim/nwchem/main1_nwchem.py'.format(self.args.work_dir)] - elif ttype == self.TASK_DFT2: - args = ['{}/sim/nwchem/main2_nwchem.py'.format(self.args.work_dir), - '{}'.format(argument_val))] # this will need to get the instance - elif ttype == self.TASK_DFT3: - args = ['{}/sim/nwchem/main3_nwchem.py'.format(self.args.work_dir)] - - elif ttype == self.TASK_TRAIN_FF: - args = ['{}/model/deepm/main_deepmd.py'.format(self.args.work_dir), - '{}'.format(argument_val)] #training folder name -` - - elif ttype == self.TASK_DDMD: #TODO: ask to to HUUB - args = ['{}/Executables/training.py'.format(self.args.work_dir), - '--num_epochs={}'.format(self.args.num_epochs_train), - '--device=gpu', - '--phase={}'.format(phase_idx), - '--data_root_dir={}'.format(self.args.data_root_dir), - '--model_dir={}'.format(self.args.model_dir), - '--num_sample={}'.format(self.args.num_sample * (1 if phase_idx == 0 else 2)), - '--num_mult={}'.format(self.args.num_mult_train), - '--dense_dim_in={}'.format(self.args.dense_dim_in), - '--dense_dim_out={}'.format(self.args.dense_dim_out), - '--mat_size={}'.format(self.args.mat_size), - '--preprocess_time={}'.format(self.args.preprocess_time_train), - '--write_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["train"]["write"]), - '--read_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["train"]["read"])] - - - return args - - - - # -------------------------------------------------------------------------- - # - def __del__(self): - - self.close() - - - # -------------------------------------------------------------------------- - # - def close(self): - - if self._session is not None: - self._session.close() - self._session = None - - - # -------------------------------------------------------------------------- - # - def dump(self, task=None, msg=''): - ''' - dump a representation of current task set to stdout - ''' - - # this assumes one core per task - - self._rep.plain('<<|') - - idle = self._cores - - for ttype in self.TASK_TYPES: - - n = 0 - for series in self._series: - n += len(self._tasks[series][ttype]) - idle -= n - - self._rep.ok('%s' % self._glyphs[ttype] * n) - - self._rep.plain('%s' % '-' * idle + - '| %4d [%4d]' % (self._cores_used, self._cores)) - - if task and msg: - self._rep.plain(' %-15s: %s\n' % (task.uid, msg)) - else: - if task: - msg = task - self._rep.plain(' %-15s: %s\n' % (' ', msg)) - - - # -------------------------------------------------------------------------- - # - def start(self): - ''' - submit initial set of Ab-initio MD similation tasks DFT - ''' - - self.dump('submit MD simulations') - - # start ab-initio loop - self.stage = 1 - self._submit_task(self.TASK_DFT, ...) - - - - - # -------------------------------------------------------------------------- - # - def stop(self): - - os.kill(os.getpid(), signal.SIGKILL) - os.kill(os.getpid(), signal.SIGTERM) - - - # -------------------------------------------------------------------------- - # - def _get_ttype(self, uid): - ''' - get task type from task uid - ''' - - ttype = uid.split('.')[0] - - assert ttype in self.TASK_TYPES, 'unknown task type: %s' % uid - return ttype - - - # -------------------------------------------------------------------------- - # - # FIXME: we need to consider this again with new model. - #TODO Andre. - def _submit_task(self, ttype, args=None, n=1, cpu=1, gpu=0, series: int=1, argvals=''): - ''' - submit 'n' new tasks of specified type - - NOTE: all tasks are uniform for now: they use a single core and sleep - for a random number (0..3) of seconds. - ''' - - # NOTE: ttype can be a task description or a string. In the first case, - # we submit `n` tasks with that description. In the second case, - # we construct the task description from the remaining arguments - # and the ttype string - - if isinstance(ttype, rp.TaskDescription): - tds = [ttype] * n - for td in tds: - td.uid = ru.generate_id(ttype) - - elif isinstance(ttype, str): - - cur_args = self.get_arguments(ttype, argument_val=argvals) - tds = list() - for _ in range(n): - - # FIXME: uuid=ttype won't work - the uid needs to be *unique* - - tds.append(rp.TaskDescription({ - 'pre_exec' : ['. %s/bin/activate' % ve_path, - 'pip install pyyaml'], #FIXME: give correct environment name - 'uid' : ru.generate_id(ttype), - 'ranks' : 1 - 'cores_per_rank' : cpu, - 'gpus_per_rank' : gpu, - 'executable' : 'python', - 'arguments' : cur_args - })) - - with self._lock: - - tasks = self._tmgr.submit_tasks(tds) - - for task in tasks: - self._register_task(task, series=series) - - - # -------------------------------------------------------------------------- - # - def _cancel_tasks(self, uids): - ''' - cancel tasks with the given uids, and unregister them - ''' - - uids = ru.as_list(uids) - - # FIXME AM: does not work - self._tmgr.cancel_tasks(uids) - - for uid in uids: - - series = self._get_series(uid=uid) - ttype = self._get_ttype(uid) - task = self._tasks[series][ttype][uid] - self.dump(task, 'cancel [%s]' % task.state) - - self._unregister_task(task) - - self.dump('cancelled') - - - # -------------------------------------------------------------------------- - # - def _register_task(self, task, series: int): - ''' - add task to bookkeeping - ''' - - with self._lock: - - ttype = self._get_ttype(task.uid) - - self._uids[series].append(task.uid) - - self._tasks[series][ttype][task.uid] = task - - cores = task.description['cpu_processes'] \ - * task.description['cpu_threads'] - self._cores_used += cores - - gpus = task.description['gpu_processes'] - self._gpus_used += gpus - - - # -------------------------------------------------------------------------- - # - def _unregister_task(self, task): - ''' - remove completed task from bookkeeping - ''' - - with self._lock: - - series = self._get_series(task) - ttype = self._get_ttype(task.uid) - - if task.uid not in self._tasks[series][ttype]: - return - - # remove task from bookkeeping - self._final_tasks.append(task.uid) - del self._tasks[series][ttype][task.uid] - self.dump(task, 'unregister %s' % task.uid) - - cores = task.description['cpu_processes'] \ - * task.description['cpu_threads'] - self._cores_used -= cores - - gpus = task.description['gpu_processes'] - self._gpus_used -= gpus - - - # -------------------------------------------------------------------------- - # - def _state_cb(self, task, state): - ''' - act on task state changes according to our protocol - ''' - - try: - return self._checked_state_cb(task, state) - - except Exception as e: - self._rep.exception('\n\n---------\nexception caught: %s\n\n' % repr(e)) - ru.print_exception_trace() - self.stop() - - - # -------------------------------------------------------------------------- - # - def _checked_state_cb(self, task, state): - - # this cb will react on task state changes. Specifically it will watch - # out for task completion notification and react on them, depending on - # the task type. - - if state in [rp.TMGR_SCHEDULING] + rp.FINAL: - self.dump(task, ' -> %s' % task.state) - - # ignore all non-final state transitions - if state not in rp.FINAL: - return - - # ignore tasks which were already completed - if task.uid in self._final_tasks: - return - - # lock bookkeeping - with self._lock: - - # raise alarm on failing tasks (but continue anyway) - if state == rp.FAILED: - self._rep.error('task %s failed: %s' % (task.uid, task.stderr)) - self.stop() - - # control flow depends on ttype - ttype = self._get_ttype(task.uid) - action = self._protocol[ttype] - if not action: - self._rep.exit('no action found for task %s' % task.uid) - action(task) - - # remove final task from bookkeeping - self._unregister_task(task) - - - # -------------------------------------------------------------------------- - # - def _get_series(self, task=None, uid=None): - - if uid: - # look up by uid - for series in self._series: - if uid in self._uids[series]: - return series - - else: - # look up by task type - for series in self._series: - if task.uid in self._uids[series]: - return series - - raise ValueError('task does not belong to any serious') - - - # -------------------------------------------------------------------------- - # - def _control_md(self, task): - ''' - react on completed ff training task - ''' - - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_MD]) > 1: - return - - - self.dump(task, 'completed ab-initio md ') - - #check if this satisfy: - if False: - #FIXME: Here we need to write resource allocation to the YAML file. - # maybe for now we can skip this - with open (self.args.yaml, 'a') as f: - self.printYAML(cpus=cpus, gpus=gpus, sim=sim) #FIXME - - # FIXME: ttype is not defined here - self._submit_task(self, ttype, args=None, n=1, cpu=1, gpu=0, series: int=1, argvals='') #FIXME - else: - self._submit_task(self, self.TASK_DFT1, args=None, n=1, cpu=1, gpu=0, series: int=1, argvals='') - - - - - # -------------------------------------------------------------------------- - # - def _control_train_ff(self, task): - ''' - react on completed ff training task - ''' - - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_TRAIN_FF]) > 1: - return - - self.dump(task, 'completed ff train') - self._submit_task(self, self.TASK_MD, args=None, n=1, cpu=1, gpu=0, series: int=1, argvals='') - - # -------------------------------------------------------------------------- - # - def _control_dft1(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT1]) > 1: - return - - # TODO READ the inputs.txt - # submit self.TASK_DFT2 for each line - - self.dump(task, 'completed dft1') - self._submit_task(self, self.TASK_DFT2, args=None, n=1, cpu=1, gpu=0, series: int=1, argvals='') - - # -------------------------------------------------------------------------- - # - def _control_dft2(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT2]) > 1: - return - - self.dump(task, 'completed dft') - self._submit_task(self, self.TASK_DFT3, args=None, n=1, cpu=1, gpu=0, series: int=1, argvals='') - - - # -------------------------------------------------------------------------- - # - def _control_dft3(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT3]) > 1: - return - - self.dump(task, 'completed dft') - self._submit_task(self, self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=0, series: int=1, argvals='') - - # --------------------------------------------------------------------------# - # CONTROLS FOR DDMD LOOP # - # --------------------------------------------------------------------------# - def _control_ddmd_md(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_MD]) > 1: - return - - self.dump(task, 'completed DDMD MD') - - self.generate_machine_learning_stage() - - # -------------------------------------------------------------------------- - # - def _control_ddmd_train(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_TRAIN]) > 1: - return - - self.dump(task, 'completed DDMD Training') - - self.generate_model_selection_stage() - # -------------------------------------------------------------------------- - # - def _control_ddmd_selection(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_SELECTION]) > 1: - return - - self.dump(task, 'completed DDMD Selection') - - self.generate_agent_stage() - - # -------------------------------------------------------------------------- - # - def _control_ddmd_agent(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_AGENT]) > 1: - return - - self.dump(task, 'completed DDMD agent') - - #Check if we are done with DDMD loop: - if self.stage_idx < self.cfg.max_iteration: - self.stage_idx += 1 - self.generate_molecular_dynamics_stage() - else: - self.dump("DONE!!!") - ddmd.close() #TODO Check if this is needed!!! - -# ------------------------------------------------------------------------------ -# -if __name__ == '__main__': - ddmd = DDMD() - try: - ddmd.start() - while True: - # ddmd.dump() - time.sleep(1) - - finally: - ddmd.close() - - -# ------------------------------------------------------------------------------ diff --git a/src/NWchem_sync.py b/src/NWchem_sync.py deleted file mode 100644 index 44c3d57..0000000 --- a/src/NWchem_sync.py +++ /dev/null @@ -1,1185 +0,0 @@ -#!/usr/bin/env python3 - -# - initial ML force field exists -# - while iteration < X (configurable): -# - start DTF ( Ab-initio MD simulation ) (with all reasources) CPU only -# - start force field training task (FFTrain) (with all resources) CPU only -# - if DFT partially satisfy the uncertainty -# - Kill Half of the Ab-initio Tasks -# - Start DDMD with %50 CPU and %100 GPU -# - If DFT fully satisfy: -# - run 2nd DDMD loop (divide available resources between bot loop) -# - If DDMD1 finish run DDMD 2 with full resoureces - -# lower / upper bound on active num of simulations -# ddmd.get_last_n_sims ... - -# ------------------------------------------------------------------------------ -# - -# This one will run synchronously -import argparse -import copy -import json -import math -import os -import random -import signal -import sys -import threading as mt -import time -import traceback -import typing - -from collections import defaultdict - -import radical.pilot as rp -import radical.utils as ru - -import itertools -import shutil -from pathlib import Path -from typing import List, Optional - - -from deepdrivemd.config import BaseStageConfig, ExperimentConfig -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.utils import parse_args - -N2P2=1 -DEEPMD=2 -env_model = os.getenv("FF_MODEL") -if env_model == "DEEPMD": - model = DEEPMD -elif env_model == "N2P2": - model = N2P2 -else: - model = DEEPMD - -# ------------------------------------------------------------------------------ -# This is the main class -# TODO: Maybe we need a base class and multiple classes for DDMD and AB-INITIO -class DDMD(object): - - # define task types (used as prefix on task-uid) - # AB-INITIO TASKS - TASK_TRAIN_FF = 'task_train_ff' # AB-initio-FF-training - TASK_MD = 'task_md' # AB-initio MD-simulation - TASK_DFT1 = 'task_dft1' # Ab-inito DFT prep - TASK_DFT2 = 'task_dft2' # Ab-inito DFT calculation - TASK_DFT3 = 'task_dft3' # Ab-inito DFT finalize - # DDMD TASKS - TASK_DDMD_MD = 'task_ddmd_md' # DDMD MD-Simulation - TASK_DDMD_AGGREGATION = 'task_ddmd_aggregation' # DDMD Aggregation - TASK_DDMD_TRAIN = 'task_ddmd_train' # DDMD Training - TASK_DDMD_SELECTION = 'task_ddmd_selection' # DDMD Selection - TASK_DDMD_AGENT = 'task_ddmd_agent' # DDMD Agent - - TASK_TYPES = [TASK_TRAIN_FF, - TASK_MD, - TASK_DFT1, - TASK_DFT2, - TASK_DFT3, - TASK_DDMD_MD, - TASK_DDMD_AGGREGATION, - TASK_DDMD_TRAIN, - TASK_DDMD_SELECTION, - TASK_DDMD_AGENT] - - # these alues fall from heaven.... - # We need to have a swich condition here. - ITER_AB_INITIO = 6 - ITER_DDMD = 6 - ITER_DDMD_1 = int(math.floor(ITER_AB_INITIO / 2)) - ITER_DDMD_2 = ITER_AB_INITIO - - # keep track of core usage - cores_used = 0 - gpus_used = 0 - avail_cores = 0 - avail_gpus = 0 - - # keep track the stage - stage = 0 # 0 no tasks started - # 1 only ab-initio - # 2 ab-initio + DDM1 - # 3 DDMD1 + DDMD2 - # 4 only DDMD2 - # 5 all done - - # -------------------------------------------------------------------------- - # - def __init__(self): - - # control flow table - self._protocol = {self.TASK_TRAIN_FF : self._control_train_ff , - self.TASK_MD : self._control_md , - self.TASK_DFT1 : self._control_dft1 , - self.TASK_DFT2 : self._control_dft2 , - self.TASK_DFT3 : self._control_dft3 , - self.TASK_DDMD_MD : self._control_ddmd_md , - self.TASK_DDMD_AGGREGATION: self._control_ddmd_aggregation, - self.TASK_DDMD_TRAIN : self._control_ddmd_train , - self.TASK_DDMD_SELECTION : self._control_ddmd_selection , - self.TASK_DDMD_AGENT : self._control_ddmd_agent } - - self._glyphs = {self.TASK_TRAIN_FF : 't', - self.TASK_MD : 'm', - self.TASK_DFT1 : 'i', - self.TASK_DFT2 : 'd', - self.TASK_DFT3 : 'e', - self.TASK_DDMD_MD : 'M', - self.TASK_DDMD_AGGREGATION: 'G', - self.TASK_DDMD_TRAIN : 'T', - self.TASK_DDMD_SELECTION : 'S', - self.TASK_DDMD_AGENT : 'A'} - - # bookkeeping - # FIXME There are lots off unused items here - self._iter = 0 - self._iterDDMD1 = 0 - self._iterDDMD2 = 0 - self._threshold = 1 - self._cores = 48 # available cpu resources FIXME: maybe get from the user? - self._gpus = 4 # available gpu resources "" - self._gpus = 0 # for now... (Still need reinstall TensorFlow) - self._avail_cores = self._cores - self._avail_gpus = self._gpus - self._cores_used = 0 - self._gpus_used = 0 - self._ddmd_tasks = 0 - - # FIXME Make sure everything is needed. - self._lock = mt.RLock() - self._series = [1, 2] - self._uids = {s:list() for s in self._series} - - self._tasks = {s: {ttype: dict() for ttype in self.TASK_TYPES} - for s in self._series} - - self._final_tasks = list() - - # silence RP reporter, use own - os.environ['RADICAL_REPORT'] = 'false' - self._rep = ru.Reporter('nwchem') - self._rep.title('NWCHEM') - - # RP setup - self._session = rp.Session() - self._pmgr = rp.PilotManager(session=self._session) - self._tmgr = rp.TaskManager(session=self._session) - - # Where is the software we are running - abs_path = os.path.abspath(__file__) - self._deepdrivemd_directory = os.path.dirname(abs_path) - - # Maybe get from user?? - pdesc = rp.PilotDescription({'resource': 'local.localhost_test', - 'runtime' : 3000, - 'sandbox' : os.getenv('RADICAL_PILOT_BASE'), -# 'runtime' : 4, - 'cores' : self._cores}) -# 'cores' : 1}) - self._pilot = self._pmgr.submit_pilots(pdesc) - - self._tmgr.add_pilots(self._pilot) - self._tmgr.register_callback(self._state_cb) - - #set aditional DDMD related setups: - - #FIXME: Makesure the names are not conflicting with others - args = parse_args() - cfg = ExperimentConfig.from_yaml(args.config) - self._env_work_dir = cfg.experiment_directory - self.cfg = cfg - - # Parser - # We need a different solution for this. The parse_args a few lines back conflicts - # with the parse_args in the next function. The arguments known to set_argparse are - # unknown to deepdrivemd.utils.parse_args. Some of the arguments unknown to - # deepdrivemd.utils.parse_args are required by set_argparse. - # We need to call set_argparse to set self.args.work_dir needed by get_json. - self.set_argparse() - self.get_json() - - # Calculate total number of nodes required. - # If gpus_per_node is 0, then we assume that the CPU is used for - # simulation, in which case we request a node per simulation task. - # Otherwise, we assume that each simulation task uses a single GPU. - if cfg.gpus_per_node == 0: - num_nodes = cfg.molecular_dynamics_stage.num_tasks - else: - num_nodes, extra_gpus = divmod( - cfg.molecular_dynamics_stage.num_tasks, cfg.gpus_per_node - ) - # If simulations don't pack evenly onto nodes, add an extra node - num_nodes += int(extra_gpus > 0) - - num_nodes = max(1, num_nodes) - - #FIXME maybe we can use this but we need to be carefull here. - self.ddmd_pilot_desc = rp.PilotDescription({ - "resource": cfg.resource, - "queue": cfg.queue, - "access_schema": cfg.schema_, - "walltime": cfg.walltime_min, - "project": cfg.project, - "cpus": cfg.cpus_per_node * cfg.hardware_threads_per_cpu * num_nodes, - "gpus": cfg.gpus_per_node * num_nodes}) - - self.api = DeepDriveMD_API(cfg.experiment_directory) - self.stage_idx = 0 - - # -------------------------------------------------------------------------- - # -------------------------------------------------------------------------- - # ---------FUNCINALITIES FROM DDME------------------------------------------ - # -------------------------------------------------------------------------- - # -------------------------------------------------------------------------- - # this needs to converted to the RP task: - def generate_task_description(self, cfg: BaseStageConfig) -> rp.TaskDescription: - td = rp.TaskDescription() - td.ranks = cfg.cpu_reqs.processes - td.cores_per_rank = cfg.cpu_reqs.threads_per_process - td.gpus_per_rank = cfg.gpu_reqs.processes - td.pre_exec = copy.deepcopy(cfg.pre_exec) - td.executable = copy.deepcopy(cfg.executable) - td.arguments = copy.deepcopy(cfg.arguments) - return td - - - # we don't need this - def _init_experiment_dir(self) -> None: - # Make experiment directories - self.cfg.experiment_directory.mkdir() - self.api.molecular_dynamics_stage.runs_dir.mkdir() - self.api.aggregation_stage.runs_dir.mkdir() - self.api.machine_learning_stage.runs_dir.mkdir() - self.api.model_selection_stage.runs_dir.mkdir() - self.api.agent_stage.runs_dir.mkdir() - - # FIXME Probably neeed to delete this one but I am not sure since it is checking max iteration - def func_condition(self) -> None: - if self.stage_idx < self.cfg.max_iteration: - self.func_on_true() - else: - self.func_on_false() - -#FIXME we definitly dont need following -# def func_on_true(self) -> None: -# print(f"Finishing stage {self.stage_idx} of {self.cfg.max_iteration}") -# self._generate_pipeline_iteration() -# -# def func_on_false(self) -> None: -# print("Done") -# -# def _generate_pipeline_iteration(self) -> None: -# -# self.pipeline.add_stages(self.generate_molecular_dynamics_stage()) -# -# if not cfg.aggregation_stage.skip_aggregation: -# self.pipeline.add_stages(self.generate_aggregating_stage()) -# -# if self.stage_idx % cfg.machine_learning_stage.retrain_freq == 0: -# self.pipeline.add_stages(self.generate_machine_learning_stage()) -# self.pipeline.add_stages(self.generate_model_selection_stage()) -# -# agent_stage = self.generate_agent_stage() -# agent_stage.post_exec = self.func_condition -# self.pipeline.add_stages(agent_stage) -# -# self.stage_idx += 1 -# -# def generate_pipelines(self) -> List[Pipeline]: -# self._generate_pipeline_iteration() -# return [self.pipeline] - - - - - - - def generate_molecular_dynamics_stage(self): - global model, DEEPMD, N2P2 - - cfg = self.cfg.molecular_dynamics_stage - stage_api = self.api.molecular_dynamics_stage - - if self.stage_idx == 0: - initial_pdbs = self.api.get_initial_pdbs(cfg.task_config.initial_pdb_dir) - filenames: Optional[itertools.cycle[Path]] = itertools.cycle(initial_pdbs) - else: - filenames = None - - tds = [] - for task_idx in range(cfg.num_tasks): - - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - if self.stage_idx == 0: - assert filenames is not None - cfg.task_config.pdb_file = next(filenames) - else: - cfg.task_config.pdb_file = None - if model == DEEPMD: - cfg.task_config.train_dir = Path(self.cfg.experiment_directory,"deepmd") - elif model == N2P2: - cfg.task_config.train_dir = Path(self.cfg.experiment_directory,"n2p2") - - - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_MD) - tds.append(td) - - self._submit_task(tds, series = 1) - - - # TODO HUUB: DO we have aggregation stage? - def generate_aggregating_stage(self): - - cfg = self.cfg.aggregation_stage - stage_api = self.api.aggregation_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) #FIXME: Add a task for Aggregeation. - self._submit_task(td, series = 1) - - - def generate_machine_learning_stage(self): - cfg = self.cfg.machine_learning_stage - stage_api = self.api.machine_learning_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - cfg.task_config.model_tag = stage_api.unique_name(output_path) - if self.stage_idx > 0: - # Machine learning should use model selection API - cfg.task_config.init_weights_path = None - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_TRAIN) - self._submit_task(td, series = 1) - - - def generate_model_selection_stage(self): - cfg = self.cfg.model_selection_stage - stage_api = self.api.model_selection_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) - self._submit_task(td, series = 1) - - - def generate_agent_stage(self): - cfg = self.cfg.agent_stage - stage_api = self.api.agent_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_AGENT) - self._submit_task(td, series = 1) - - - # -------------------------------------------------------------------------- - def set_argparse(self): - parser = argparse.ArgumentParser(description="NWChem - DeepDriveMD Synchronous") - #FIXME Delete unneded ones and add the ones we need. - parser.add_argument('-c', '--config', - help='YAML config file', type=str, required=True) - parser.add_argument('--num_phases', type=int, default=3, - help='number of phases in the workflow') - parser.add_argument('--mat_size', type=int, default=5000, - help='the matrix with have size of mat_size * mat_size') - parser.add_argument('--data_root_dir', default='./', - help='the root dir of gsas output data') - parser.add_argument('--num_step', type=int, default=1000, - help='number of step in MD simulation') - parser.add_argument('--num_epochs_train', type=int, default=150, - help='number of epochs in training task') - parser.add_argument('--model_dir', default='./', - help='the directory where save and load model') - parser.add_argument('--conda_env', default=None, - help='the conda env where numpy/cupy installed, if not specified, no env will be loaded') - parser.add_argument('--num_sample', type=int, default=500, - help='num of samples in matrix mult (training and agent)') - parser.add_argument('--num_mult_train', type=int, default=4000, - help='number of matrix mult to perform in training task') - parser.add_argument('--dense_dim_in', type=int, default=12544, - help='dim for most heavy dense layer, input') - parser.add_argument('--dense_dim_out', type=int, default=128, - help='dim for most heavy dense layer, output') - parser.add_argument('--preprocess_time_train', type=float, default=20.0, - help='time for doing preprocess in training') - parser.add_argument('--preprocess_time_agent', type=float, default=10.0, - help='time for doing preprocess in agent') - parser.add_argument('--num_epochs_agent', type=int, default=10, - help='number of epochs in agent task') - parser.add_argument('--num_mult_agent', type=int, default=4000, - help='number of matrix mult to perform in agent task, inference') - parser.add_argument('--num_mult_outlier', type=int, default=10, - help='number of matrix mult to perform in agent task, outlier') - parser.add_argument('--enable_darshan', action='store_true', - help='enable darshan analyze') - parser.add_argument('--project_id', # required=True, - help='the project ID we used to launch the job') - parser.add_argument('--queue', # required=True, - help='the queue we used to submit the job') - parser.add_argument('--work_dir', default=self._env_work_dir, - help='working dir, which is the dir of this repo') - parser.add_argument('--num_sim', type=int, default=12, - help='number of tasks used for simulation') - parser.add_argument('--num_nodes', type=int, default=3, - help='number of nodes used for simulation') - parser.add_argument('--io_json_file', default="io_size.json", - help='the filename of json file for io size') - - args = parser.parse_args() - self.args = args - - # FIXME: This is unused now but we may want to use a json file in the future - def get_json(self): - return - json_file = "{}/launch-scripts/{}".format(self.args.work_dir, self.args.io_json_file) - with open(json_file) as f: - self.io_dict = json.load(f) - - # FIXME do not use argument_val and get them from the user using arguments - def get_arguments(self, ttype, argument_val=""): - global model, DEEPMD, N2P2 - args = [] - - if ttype == self.TASK_MD: - if model == DEEPMD: - args = ['{}/sim/lammps/main_ase_lammps.py'.format(self._deepdrivemd_directory), - '{}/molecular_dynamics_runs'.format(self.cfg.experiment_directory), # get test dir path here #FIXME - '{}/ab_initio'.format(self.cfg.experiment_directory), # get pbd file path here #FIXME - '{}/deepmd'.format(self.cfg.experiment_directory)] #training folder name - elif model == N2P2: - args = ['{}/sim/lammps/main_ase_lammps.py'.format(self._deepdrivemd_directory), - '{}/molecular_dynamics_runs'.format(self.cfg.experiment_directory), # get test dir path here #FIXME - '{}/ab_initio'.format(self.cfg.experiment_directory), # get pbd file path here #FIXME - '{}/n2p2'.format(self.cfg.experiment_directory)] #training folder name - elif ttype == self.TASK_DFT1: - # Generate a set of input files and store the filenames in "inputs.txt" - args = ['{}/sim/nwchem/main1_nwchem.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory), - '{}/molecular_dynamics_runs'.format(self.cfg.experiment_directory)] - elif ttype == self.TASK_DFT2: - args = ['{}/sim/nwchem/main2_nwchem.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory), - '{}'.format(argument_val)] # this will need to get the instance - elif ttype == self.TASK_DFT3: - args = ['{}/sim/nwchem/main3_nwchem.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory)] - elif ttype == self.TASK_TRAIN_FF: - if model == DEEPMD: - args = ['{}/models/deepmd/main_deepmd.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory), - '{}/deepmd/{}'.format(self.cfg.experiment_directory,argument_val)] #training folder name - elif model == N2P2: - args = ['{}/models/n2p2/main_n2p2.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory), - '{}/n2p2/{}'.format(self.cfg.experiment_directory,argument_val)] #training folder name - - -# elif ttype == self.TASK_DDMD: #TODO: ask to to HUUB -# args = ['{}/Executables/training.py'.format(self.args.work_dir), -# '--num_epochs={}'.format(self.args.num_epochs_train), -# '--device=gpu', -# '--phase={}'.format(phase_idx), -# '--data_root_dir={}'.format(self.args.data_root_dir), -# '--model_dir={}'.format(self.args.model_dir), -# '--num_sample={}'.format(self.args.num_sample * (1 if phase_idx == 0 else 2)), -# '--num_mult={}'.format(self.args.num_mult_train), -# '--dense_dim_in={}'.format(self.args.dense_dim_in), -# '--dense_dim_out={}'.format(self.args.dense_dim_out), -# '--mat_size={}'.format(self.args.mat_size), -# '--preprocess_time={}'.format(self.args.preprocess_time_train), -# '--write_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["train"]["write"]), -# '--read_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["train"]["read"])] - - - return args - - - - # -------------------------------------------------------------------------- - # - def __del__(self): - - self.close() - - - # -------------------------------------------------------------------------- - # - def close(self): - - if self._session is not None: - self._session.close(download=True) - self._session = None - - - # -------------------------------------------------------------------------- - # - def dump(self, task=None, msg=''): - ''' - dump a representation of current task set to stdout - ''' - - # this assumes one core per task - - self._rep.plain('<<|') - - idle = self._cores - - for ttype in self.TASK_TYPES: - - n = 0 - for series in self._series: - n += len(self._tasks[series][ttype]) - idle -= n - - if n > self._cores: - idle = 0 - n = self._cores - - self._rep.ok('%s' % self._glyphs[ttype] * n) - - self._rep.plain('%s' % '-' * idle + - '| %4d [%4d]' % (self._cores_used, self._cores)) - - if task and msg: - self._rep.plain(' %-15s: %s\n' % (task.uid, msg)) - else: - if task: - msg = task - self._rep.plain(' %-15s: %s\n' % (' ', msg)) - - - # -------------------------------------------------------------------------- - # - def start(self): - ''' - submit initial set of Ab-initio MD similation tasks DFT - ''' - - self.dump('submit MD simulations') - - # start ab-initio loop - self.stage = 1 - self._submit_task(self.TASK_DFT1, args=None, n=1, cpu=1, gpu=0, series=1, argvals='')#TODO HUUB What is the configuration needed here? - #self._submit_task(self.TASK_DFT3, args=None, n=1, cpu=1, gpu=0, series=1, argvals='')#TODO HUUB What is the configuration needed here? - - - - - # -------------------------------------------------------------------------- - # - def stop(self): - - os.kill(os.getpid(), signal.SIGKILL) - os.kill(os.getpid(), signal.SIGTERM) - - - # -------------------------------------------------------------------------- - # - def _get_ttype(self, uid): - ''' - get task type from task uid - ''' - - ttype = uid.split('.')[0] - - assert ttype in self.TASK_TYPES, 'unknown task type: %s' % uid - return ttype - - - # -------------------------------------------------------------------------- - # - def _submit_task(self, ttype, args=None, n=1, cpu=1, gpu=0, series=1, argvals=''): - ''' - submit 'n' new tasks of specified type - ''' - - assert ttype - - # NOTE: ttype can be a task description (or a list of those), or it can - # be a string. In the first case, we submit the given - # description(s). In the second case, we construct the task - # description from the remaining arguments and the ttype string. - if isinstance(ttype, list) and isinstance(ttype[0], rp.TaskDescription): - tds = ttype - - elif isinstance(ttype, rp.TaskDescription): - tds = [ttype] - - elif isinstance(ttype, str): - - cur_args = self.get_arguments(ttype, argument_val=argvals) - tds = list() - for _ in range(n): - - # FIXME: uuid=ttype won't work - the uid needs to be *unique* - - ve_path = "/hpcgpfs01/work/csi/hvandam/pydeepmd-3.11" - tds.append(rp.TaskDescription({ - # FIXME HUUB: give correct environment name - #'pre_exec' : ['. %s/bin/activate' % ve_path, - # 'pip install pyyaml'], - # Activating a conda environment inside a Python virtual environment - # can generate interesting problems. - 'pre_exec' : ['. %s/bin/activate' % ve_path], - 'uid' : ru.generate_id(ttype), - 'ranks' : 1, - 'cores_per_rank' : cpu, - 'gpus_per_rank' : gpu, - 'executable' : 'python', - 'arguments' : cur_args - })) - - else: - raise TypeError('invalid task type %s' % type(ttype)) - - - with self._lock: - - tasks = self._tmgr.submit_tasks(tds) - - for task in tasks: - self._register_task(task, series=series) - - - # -------------------------------------------------------------------------- - # - def _cancel_tasks(self, uids): - ''' - cancel tasks with the given uids, and unregister them - ''' - - uids = ru.as_list(uids) - - # FIXME AM: does not work - self._tmgr.cancel_tasks(uids) - - for uid in uids: - - series = self._get_series(uid=uid) - ttype = self._get_ttype(uid) - task = self._tasks[series][ttype][uid] - self.dump(task, 'cancel [%s]' % task.state) - - self._unregister_task(task) - - self.dump('cancelled') - - - # -------------------------------------------------------------------------- - # - def _register_task(self, task, series: int): - ''' - add task to bookkeeping - ''' - - with self._lock: - - ttype = self._get_ttype(task.uid) - - self._uids[series].append(task.uid) - - self._tasks[series][ttype][task.uid] = task - - cores = task.description['ranks'] \ - * task.description['cores_per_rank'] - self._cores_used += cores - - gpus = task.description['gpu_processes'] - self._gpus_used += gpus - - - # -------------------------------------------------------------------------- - # - def _unregister_task(self, task): - ''' - remove completed task from bookkeeping - ''' - - with self._lock: - - series = self._get_series(task) - ttype = self._get_ttype(task.uid) - - if task.uid not in self._tasks[series][ttype]: - return - - # remove task from bookkeeping - self._final_tasks.append(task.uid) - del self._tasks[series][ttype][task.uid] - self.dump(task, 'unregister %s' % task.uid) - - cores = task.description['ranks'] \ - * task.description['cores_per_rank'] - self._cores_used -= cores - - gpus = task.description['gpu_processes'] - self._gpus_used -= gpus - - - # -------------------------------------------------------------------------- - # - def _state_cb(self, task, state): - ''' - act on task state changes according to our protocol - ''' - - try: - return self._checked_state_cb(task, state) - - except Exception as e: - self._rep.exception('\n\n---------\nexception caught: %s\n\n' % repr(e)) - ru.print_exception_trace() - self.stop() - - - # -------------------------------------------------------------------------- - # - def _checked_state_cb(self, task, state): - - # this cb will react on task state changes. Specifically it will watch - # out for task completion notification and react on them, depending on - # the task type. - - if state in [rp.TMGR_SCHEDULING] + rp.FINAL: - self.dump(task, ' -> %s' % task.state) - - # ignore all non-final state transitions - if state not in rp.FINAL: - return - - # ignore tasks which were already completed - if task.uid in self._final_tasks: - return - - # lock bookkeeping - with self._lock: - - # raise alarm on failing tasks (but continue anyway) - if state == rp.FAILED: - self._rep.error('task %s failed: %s' % (task.uid, task.stderr)) - self.stop() - - # control flow depends on ttype - ttype = self._get_ttype(task.uid) - action = self._protocol[ttype] - if not action: - self._rep.exit('no action found for task %s' % task.uid) - action(task) - - # remove final task from bookkeeping - self._unregister_task(task) - - - # -------------------------------------------------------------------------- - # - def _get_series(self, task=None, uid=None): - - if uid: - # look up by uid - for series in self._series: - if uid in self._uids[series]: - return series - - else: - # look up by task type - for series in self._series: - if task.uid in self._uids[series]: - return series - - raise ValueError('task does not belong to any serious') - - - # -------------------------------------------------------------------------- - # - def _control_md(self, task): - ''' - react on completed ff training task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_MD]) > 1: - return - - - self.dump(task, 'completed ab-initio md ') - - #check if this satisfy: - filename = Path(self.cfg.experiment_directory,"molecular_dynamics_runs","lammps_success.txt") - with open(str(filename), "r") as fp: - line = fp.readline() - Satisfy = eval(line) -#DEBUG - if os.path.exists("file_1.txt"): - Satisfy = True - if os.path.exists("file_1.txt"): - with open("file_2.txt","w") as fp: - print("hello",file=fp) - if os.path.exists("file_0.txt"): - with open("file_1.txt","w") as fp: - print("hello",file=fp) - else: - with open("file_0.txt","w") as fp: - print("hello",file=fp) -#DEBUG - if Satisfy: - #FIXME: Here we need to write resource allocation to the YAML file. - # maybe for now we can skip this -# with open (self.args.yaml, 'a') as f: -# self.printYAML(cpus=cpus, gpus=gpus, sim=sim) #FIXME - - # FIXME: ttype is not defined here - # FIXME: ultimately this should work, but right now task_md and task_ddmd_md leave - # their results in different places. So we need to kick the DDMD loop off with - # a DDMD_MD stage - #if not self.cfg.aggregation_stage.skip_aggregation: - # self.generate_aggregating_stage() - #else: - # self.generate_machine_learning_stage() - self.generate_molecular_dynamics_stage() - else: - filename = Path(self.cfg.experiment_directory,"molecular_dynamics_runs","pdb_files.txt") - with open(str(filename), "r") as fp: - Structures = fp.readlines() - if len(Structures) > 0: - self._submit_task(self.TASK_DFT1, args=None, n=1, cpu=1, gpu=0, series=1, argvals='') - - # -------------------------------------------------------------------------- - # - def _control_train_ff(self, task): - ''' - react on completed ff training task - ''' - - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_TRAIN_FF]) > 1: - return - - self.dump(task, 'completed ff train') - cfg = self.cfg.molecular_dynamics_stage - output_path = Path(self.cfg.experiment_directory,"molecular_dynamics_runs") - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = 0 - cfg.task_config.task_idx = 0 - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - initial_pdbs = self.api.get_initial_pdbs(cfg.task_config.initial_pdb_dir) - cfg.task_config.pdb_file = initial_pdbs[0] - os.makedirs(output_path,exist_ok=True) - cfg_path = Path(output_path,"config.yaml") - cfg.task_config.dump_yaml(cfg_path) - self._submit_task(self.TASK_MD, args=None, n=1, cpu=1, gpu=1, series=1, argvals='') - - # -------------------------------------------------------------------------- - # - def _control_dft1(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT1]) > 1: - return - - # TODO READ the inputs.txt - # submit self.TASK_DFT2 for each line - # FIXME HUUB can you please chech to see if this does what you wanted - inputs_file = '{}/ab_initio/inputs.txt'.format(self.cfg.experiment_directory) - with open(inputs_file, "r") as fp: - for line in fp: - filename = line.strip() - self._submit_task(self.TASK_DFT2, args=None, n=1, cpu=1, gpu=0, series=1, argvals=filename) - - self.dump(task, 'completed dft1') - - # -------------------------------------------------------------------------- - # - def _control_dft2(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT2]) > 1: - return - - self.dump(task, 'completed dft2') - self._submit_task(self.TASK_DFT3, args=None, n=1, cpu=1, gpu=0, series=1, argvals='') - - - # -------------------------------------------------------------------------- - # - def _control_dft3(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT3]) > 1: - return - - self.dump(task, 'completed dft3') - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-1') - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-2') - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-3') - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-4') - - # --------------------------------------------------------------------------# - # CONTROLS FOR DDMD LOOP # - # --------------------------------------------------------------------------# - def _control_ddmd_md(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_MD]) > 1: - return - - self.dump(task, 'completed DDMD MD') - if not self.cfg.aggregation_stage.skip_aggregation: - self.generate_aggregating_stage() - else: - self.generate_machine_learning_stage() - # -------------------------------------------------------------------------- - # - def _control_ddmd_aggregation(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_AGGREGATION]) > 1: - return - - self.dump(task, 'completed DDMD Aggregation') - - self.generate_machine_learning_stage() - - # -------------------------------------------------------------------------- - # - def _control_ddmd_train(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_TRAIN]) > 1: - return - - self.dump(task, 'completed DDMD Training') - - self.generate_model_selection_stage() - # -------------------------------------------------------------------------- - # - def _control_ddmd_selection(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_SELECTION]) > 1: - return - - self.dump(task, 'completed DDMD Selection') - - self.generate_agent_stage() - - - # -------------------------------------------------------------------------- - # - def _control_ddmd_agent(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_AGENT]) > 1: - return - - self.dump(task, 'completed DDMD agent') - - #Check if we are done with DDMD loop: - if self.stage_idx < self.cfg.max_iteration: - self.stage_idx += 1 - self.generate_molecular_dynamics_stage() - else: - self.dump("DONE!!!") - ddmd.close() #TODO Check if this is needed!!! - - - # --------------------------------------------------------------------------# - # Place holder for Ab-initio Stages # - # --------------------------------------------------------------------------# - def generate_dft_stage(self, structure = None, path="pbd_files.txt"): - return - #cfg = self.cfg.dft - #stage_api = self.api.dft - - #task_idx = 0 - #output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - #assert output_path is not None - - ## Update base parameters - #cfg.task_config.experiment_directory = self.cfg.experiment_directory - #cfg.task_config.stage_idx = self.stage_idx - #cfg.task_config.task_idx = task_idx - #cfg.task_config.node_local_path = self.cfg.node_local_path - #cfg.task_config.output_path = output_path - - ## Write yaml configuration - #cfg_path = stage_api.config_path(self.stage_idx, task_idx) - #assert cfg_path is not None - #cfg.task_config.dump_yaml(cfg_path) - #td = self.generate_task_description(cfg) - #td.arguments += ["-c", cfg_path.as_posix()] - #td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) - #self._submit_task(td, series = 1) - - def generate_fft_stage(self, structure = None, path="pbd_files.txt"): - return - #cfg = self.cfg.dft - #stage_api = self.api.dft - - #task_idx = 0 - #output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - #assert output_path is not None - - ## Update base parameters - #cfg.task_config.experiment_directory = self.cfg.experiment_directory - #cfg.task_config.stage_idx = self.stage_idx - #cfg.task_config.task_idx = task_idx - #cfg.task_config.node_local_path = self.cfg.node_local_path - #cfg.task_config.output_path = output_path - - ## Write yaml configuration - #cfg_path = stage_api.config_path(self.stage_idx, task_idx) - #assert cfg_path is not None - #cfg.task_config.dump_yaml(cfg_path) - #td = self.generate_task_description(cfg) - #td.arguments += ["-c", cfg_path.as_posix()] - #td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) - #self._submit_task(td, series = 1) - - def generate_md_stage(self, structure = None, path="pbd_files.txt"): - return - #cfg = self.cfg.dft - #stage_api = self.api.dft - - #task_idx = 0 - #output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - #assert output_path is not None - - ## Update base parameters - #cfg.task_config.experiment_directory = self.cfg.experiment_directory - #cfg.task_config.stage_idx = self.stage_idx - #cfg.task_config.task_idx = task_idx - #cfg.task_config.node_local_path = self.cfg.node_local_path - #cfg.task_config.output_path = output_path - - ## Write yaml configuration - #cfg_path = stage_api.config_path(self.stage_idx, task_idx) - #assert cfg_path is not None - #cfg.task_config.dump_yaml(cfg_path) - #td = self.generate_task_description(cfg) - #td.arguments += ["-c", cfg_path.as_posix()] - #td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) - #self._submit_task(td, series = 1) - - - - - -# ------------------------------------------------------------------------------ -# -if __name__ == '__main__': - ddmd = DDMD() - try: - ddmd.start() - while True: - #ddmd.dump() - time.sleep(1) - - finally: - ddmd.close() - - -# ------------------------------------------------------------------------------ diff --git a/src/NWchem_sync_killdft.py b/src/NWchem_sync_killdft.py deleted file mode 100644 index 6d16391..0000000 --- a/src/NWchem_sync_killdft.py +++ /dev/null @@ -1,1168 +0,0 @@ -#!/usr/bin/env python3 - -# - initial ML force field exists -# - while iteration < X (configurable): -# - start DTF ( Ab-initio MD simulation ) (with all reasources) CPU only -# - start force field training task (FFTrain) (with all resources) CPU only -# - if DFT partially satisfy the uncertainty -# - Kill Half of the Ab-initio Tasks -# - Start DDMD with %50 CPU and %100 GPU -# - If DFT fully satisfy: -# - run 2nd DDMD loop (divide available resources between bot loop) -# - If DDMD1 finish run DDMD 2 with full resoureces - -# lower / upper bound on active num of simulations -# ddmd.get_last_n_sims ... - -# ------------------------------------------------------------------------------ -# - -# This one will run synchronously -import argparse -import copy -import json -import math -import os -import random -import signal -import sys -import threading as mt -import time -import traceback -import typing - -from collections import defaultdict - -import radical.pilot as rp -import radical.utils as ru - -import itertools -import shutil -from pathlib import Path -from typing import List, Optional - - -from deepdrivemd.config import BaseStageConfig, ExperimentConfig -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.utils import parse_args - - -# ------------------------------------------------------------------------------ -# This is the main class -# TODO: Maybe we need a base class and multiple classes for DDMD and AB-INITIO -class DDMD(object): - - # define task types (used as prefix on task-uid) - # AB-INITIO TASKS - TASK_TRAIN_FF = 'task_train_ff' # AB-initio-FF-training - TASK_MD = 'task_md' # AB-initio MD-simulation - TASK_DFT1 = 'task_dft1' # Ab-inito DFT prep - TASK_DFT2 = 'task_dft2' # Ab-inito DFT calculation - TASK_DFT3 = 'task_dft3' # Ab-inito DFT finalize - # DDMD TASKS - TASK_DDMD_MD = 'task_ddmd_md' # DDMD MD-Simulation - TASK_DDMD_AGGREGATION = 'task_ddmd_aggregation' # DDMD Aggregation - TASK_DDMD_TRAIN = 'task_ddmd_train' # DDMD Training - TASK_DDMD_SELECTION = 'task_ddmd_selection' # DDMD Selection - TASK_DDMD_AGENT = 'task_ddmd_agent' # DDMD Agent - - TASK_TYPES = [TASK_TRAIN_FF, - TASK_MD, - TASK_DFT1, - TASK_DFT2, - TASK_DFT3, - TASK_DDMD_MD, - TASK_DDMD_AGGREGATION, - TASK_DDMD_TRAIN, - TASK_DDMD_SELECTION, - TASK_DDMD_AGENT] - - # these alues fall from heaven.... - # We need to have a swich condition here. - ITER_AB_INITIO = 6 - ITER_DDMD = 6 - ITER_DDMD_1 = int(math.floor(ITER_AB_INITIO / 2)) - ITER_DDMD_2 = ITER_AB_INITIO - - # keep track of core usage - cores_used = 0 - gpus_used = 0 - avail_cores = 0 - avail_gpus = 0 - - # keep track the stage - stage = 0 # 0 no tasks started - # 1 only ab-initio - # 2 ab-initio + DDM1 - # 3 DDMD1 + DDMD2 - # 4 only DDMD2 - # 5 all done - - # -------------------------------------------------------------------------- - # - def __init__(self): - - # control flow table - self._protocol = {self.TASK_TRAIN_FF : self._control_train_ff , - self.TASK_MD : self._control_md , - self.TASK_DFT1 : self._control_dft1 , - self.TASK_DFT2 : self._control_dft2 , - self.TASK_DFT3 : self._control_dft3 , - self.TASK_DDMD_MD : self._control_ddmd_md , - self.TASK_DDMD_AGGREGATION: self._control_ddmd_aggregation, - self.TASK_DDMD_TRAIN : self._control_ddmd_train , - self.TASK_DDMD_SELECTION : self._control_ddmd_selection , - self.TASK_DDMD_AGENT : self._control_ddmd_agent } - - self._glyphs = {self.TASK_TRAIN_FF : 't', - self.TASK_MD : 'm', - self.TASK_DFT1 : 'i', - self.TASK_DFT2 : 'd', - self.TASK_DFT3 : 'e', - self.TASK_DDMD_MD : 'M', - self.TASK_DDMD_AGGREGATION: 'G', - self.TASK_DDMD_TRAIN : 'T', - self.TASK_DDMD_SELECTION : 'S', - self.TASK_DDMD_AGENT : 'A'} - - # bookkeeping - # FIXME There are lots off unused items here - self._iter = 0 - self._iterDDMD1 = 0 - self._iterDDMD2 = 0 - self._threshold = 1 - self._cores = 48 # available cpu resources FIXME: maybe get from the user? - self._gpus = 4 # available gpu resources "" - self._gpus = 0 # for now... (Still need reinstall TensorFlow) - self._avail_cores = self._cores - self._avail_gpus = self._gpus - self._cores_used = 0 - self._gpus_used = 0 - self._ddmd_tasks = 0 - - # FIXME Make sure everything is needed. - self._lock = mt.RLock() - self._series = [1, 2] - self._uids = {s:list() for s in self._series} - - self._tasks = {s: {ttype: dict() for ttype in self.TASK_TYPES} - for s in self._series} - - self._final_tasks = list() - - # silence RP reporter, use own - os.environ['RADICAL_REPORT'] = 'false' - self._rep = ru.Reporter('nwchem') - self._rep.title('NWCHEM') - - # RP setup - self._session = rp.Session() - self._pmgr = rp.PilotManager(session=self._session) - self._tmgr = rp.TaskManager(session=self._session) - - # Where is the software we are running - abs_path = os.path.abspath(__file__) - self._deepdrivemd_directory = os.path.dirname(abs_path) - - # Maybe get from user?? - pdesc = rp.PilotDescription({'resource': 'local.localhost_test', - 'runtime' : 3000, - 'sandbox' : os.getenv('RADICAL_PILOT_BASE'), -# 'runtime' : 4, - 'cores' : self._cores}) -# 'cores' : 1}) - self._pilot = self._pmgr.submit_pilots(pdesc) - - self._tmgr.add_pilots(self._pilot) - self._tmgr.register_callback(self._state_cb) - - #set aditional DDMD related setups: - - #FIXME: Makesure the names are not conflicting with others - args = parse_args() - cfg = ExperimentConfig.from_yaml(args.config) - self._env_work_dir = cfg.experiment_directory - self.cfg = cfg - - # Parser - # We need a different solution for this. The parse_args a few lines back conflicts - # with the parse_args in the next function. The arguments known to set_argparse are - # unknown to deepdrivemd.utils.parse_args. Some of the arguments unknown to - # deepdrivemd.utils.parse_args are required by set_argparse. - # We need to call set_argparse to set self.args.work_dir needed by get_json. - self.set_argparse() - self.get_json() - - # Calculate total number of nodes required. - # If gpus_per_node is 0, then we assume that the CPU is used for - # simulation, in which case we request a node per simulation task. - # Otherwise, we assume that each simulation task uses a single GPU. - if cfg.gpus_per_node == 0: - num_nodes = cfg.molecular_dynamics_stage.num_tasks - else: - num_nodes, extra_gpus = divmod( - cfg.molecular_dynamics_stage.num_tasks, cfg.gpus_per_node - ) - # If simulations don't pack evenly onto nodes, add an extra node - num_nodes += int(extra_gpus > 0) - - num_nodes = max(1, num_nodes) - - #FIXME maybe we can use this but we need to be carefull here. - self.ddmd_pilot_desc = rp.PilotDescription({ - "resource": cfg.resource, - "queue": cfg.queue, - "access_schema": cfg.schema_, - "walltime": cfg.walltime_min, - "project": cfg.project, - "cpus": cfg.cpus_per_node * cfg.hardware_threads_per_cpu * num_nodes, - "gpus": cfg.gpus_per_node * num_nodes}) - - self.api = DeepDriveMD_API(cfg.experiment_directory) - self.stage_idx = 0 - - # -------------------------------------------------------------------------- - # -------------------------------------------------------------------------- - # ---------FUNCINALITIES FROM DDME------------------------------------------ - # -------------------------------------------------------------------------- - # -------------------------------------------------------------------------- - # this needs to converted to the RP task: - def generate_task_description(self, cfg: BaseStageConfig) -> rp.TaskDescription: - td = rp.TaskDescription() - td.ranks = cfg.cpu_reqs.processes - td.cores_per_rank = cfg.cpu_reqs.threads_per_process - td.gpus_per_rank = cfg.gpu_reqs.processes - td.pre_exec = copy.deepcopy(cfg.pre_exec) - td.executable = copy.deepcopy(cfg.executable) - td.arguments = copy.deepcopy(cfg.arguments) - return td - - - # we don't need this - def _init_experiment_dir(self) -> None: - # Make experiment directories - self.cfg.experiment_directory.mkdir() - self.api.molecular_dynamics_stage.runs_dir.mkdir() - self.api.aggregation_stage.runs_dir.mkdir() - self.api.machine_learning_stage.runs_dir.mkdir() - self.api.model_selection_stage.runs_dir.mkdir() - self.api.agent_stage.runs_dir.mkdir() - - # FIXME Probably neeed to delete this one but I am not sure since it is checking max iteration - def func_condition(self) -> None: - if self.stage_idx < self.cfg.max_iteration: - self.func_on_true() - else: - self.func_on_false() - -#FIXME we definitly dont need following -# def func_on_true(self) -> None: -# print(f"Finishing stage {self.stage_idx} of {self.cfg.max_iteration}") -# self._generate_pipeline_iteration() -# -# def func_on_false(self) -> None: -# print("Done") -# -# def _generate_pipeline_iteration(self) -> None: -# -# self.pipeline.add_stages(self.generate_molecular_dynamics_stage()) -# -# if not cfg.aggregation_stage.skip_aggregation: -# self.pipeline.add_stages(self.generate_aggregating_stage()) -# -# if self.stage_idx % cfg.machine_learning_stage.retrain_freq == 0: -# self.pipeline.add_stages(self.generate_machine_learning_stage()) -# self.pipeline.add_stages(self.generate_model_selection_stage()) -# -# agent_stage = self.generate_agent_stage() -# agent_stage.post_exec = self.func_condition -# self.pipeline.add_stages(agent_stage) -# -# self.stage_idx += 1 -# -# def generate_pipelines(self) -> List[Pipeline]: -# self._generate_pipeline_iteration() -# return [self.pipeline] - - - - - - - def generate_molecular_dynamics_stage(self): - cfg = self.cfg.molecular_dynamics_stage - stage_api = self.api.molecular_dynamics_stage - - if self.stage_idx == 0: - initial_pdbs = self.api.get_initial_pdbs(cfg.task_config.initial_pdb_dir) - filenames: Optional[itertools.cycle[Path]] = itertools.cycle(initial_pdbs) - else: - filenames = None - - tds = [] - for task_idx in range(cfg.num_tasks): - - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - if self.stage_idx == 0: - assert filenames is not None - cfg.task_config.pdb_file = next(filenames) - else: - cfg.task_config.pdb_file = None - cfg.task_config.train_dir = Path(self.cfg.experiment_directory,"deepmd") - - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_MD) - tds.append(td) - - self._submit_task(tds, series = 1) - - - # TODO HUUB: DO we have aggregation stage? - def generate_aggregating_stage(self): - - cfg = self.cfg.aggregation_stage - stage_api = self.api.aggregation_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) #FIXME: Add a task for Aggregeation. - self._submit_task(td, series = 1) - - - def generate_machine_learning_stage(self): - cfg = self.cfg.machine_learning_stage - stage_api = self.api.machine_learning_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - cfg.task_config.model_tag = stage_api.unique_name(output_path) - if self.stage_idx > 0: - # Machine learning should use model selection API - cfg.task_config.init_weights_path = None - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_TRAIN) - self._submit_task(td, series = 1) - - - def generate_model_selection_stage(self): - cfg = self.cfg.model_selection_stage - stage_api = self.api.model_selection_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) - self._submit_task(td, series = 1) - - - def generate_agent_stage(self): - cfg = self.cfg.agent_stage - stage_api = self.api.agent_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - td = self.generate_task_description(cfg) - td.arguments += ["-c", cfg_path.as_posix()] - td.uid = ru.generate_id(self.TASK_DDMD_AGENT) - self._submit_task(td, series = 1) - - - # -------------------------------------------------------------------------- - def set_argparse(self): - parser = argparse.ArgumentParser(description="NWChem - DeepDriveMD Synchronous") - #FIXME Delete unneded ones and add the ones we need. - parser.add_argument('-c', '--config', - help='YAML config file', type=str, required=True) - parser.add_argument('--num_phases', type=int, default=3, - help='number of phases in the workflow') - parser.add_argument('--mat_size', type=int, default=5000, - help='the matrix with have size of mat_size * mat_size') - parser.add_argument('--data_root_dir', default='./', - help='the root dir of gsas output data') - parser.add_argument('--num_step', type=int, default=1000, - help='number of step in MD simulation') - parser.add_argument('--num_epochs_train', type=int, default=150, - help='number of epochs in training task') - parser.add_argument('--model_dir', default='./', - help='the directory where save and load model') - parser.add_argument('--conda_env', default=None, - help='the conda env where numpy/cupy installed, if not specified, no env will be loaded') - parser.add_argument('--num_sample', type=int, default=500, - help='num of samples in matrix mult (training and agent)') - parser.add_argument('--num_mult_train', type=int, default=4000, - help='number of matrix mult to perform in training task') - parser.add_argument('--dense_dim_in', type=int, default=12544, - help='dim for most heavy dense layer, input') - parser.add_argument('--dense_dim_out', type=int, default=128, - help='dim for most heavy dense layer, output') - parser.add_argument('--preprocess_time_train', type=float, default=20.0, - help='time for doing preprocess in training') - parser.add_argument('--preprocess_time_agent', type=float, default=10.0, - help='time for doing preprocess in agent') - parser.add_argument('--num_epochs_agent', type=int, default=10, - help='number of epochs in agent task') - parser.add_argument('--num_mult_agent', type=int, default=4000, - help='number of matrix mult to perform in agent task, inference') - parser.add_argument('--num_mult_outlier', type=int, default=10, - help='number of matrix mult to perform in agent task, outlier') - parser.add_argument('--enable_darshan', action='store_true', - help='enable darshan analyze') - parser.add_argument('--project_id', # required=True, - help='the project ID we used to launch the job') - parser.add_argument('--queue', # required=True, - help='the queue we used to submit the job') - parser.add_argument('--work_dir', default=self._env_work_dir, - help='working dir, which is the dir of this repo') - parser.add_argument('--num_sim', type=int, default=12, - help='number of tasks used for simulation') - parser.add_argument('--num_nodes', type=int, default=3, - help='number of nodes used for simulation') - parser.add_argument('--io_json_file', default="io_size.json", - help='the filename of json file for io size') - - args = parser.parse_args() - self.args = args - - # FIXME: This is unused now but we may want to use a json file in the future - def get_json(self): - return - json_file = "{}/launch-scripts/{}".format(self.args.work_dir, self.args.io_json_file) - with open(json_file) as f: - self.io_dict = json.load(f) - - # FIXME do not use argument_val and get them from the user using arguments - def get_arguments(self, ttype, argument_val=""): - args = [] - - if ttype == self.TASK_MD: - args = ['{}/sim/lammps/main_ase_lammps.py'.format(self._deepdrivemd_directory), - '{}/molecular_dynamics_runs'.format(self.cfg.experiment_directory), # get test dir path here #FIXME - '{}/ab_initio'.format(self.cfg.experiment_directory), # get pbd file path here #FIXME - '{}/deepmd'.format(self.cfg.experiment_directory)] #training folder name - elif ttype == self.TASK_DFT1: - # Generate a set of input files and store the filenames in "inputs.txt" - args = ['{}/sim/nwchem/main1_nwchem.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory), - '{}/molecular_dynamics_runs'.format(self.cfg.experiment_directory)] - elif ttype == self.TASK_DFT2: - args = ['{}/sim/nwchem/main2_nwchem.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory), - '{}'.format(argument_val)] # this will need to get the instance - elif ttype == self.TASK_DFT3: - args = ['{}/sim/nwchem/main3_nwchem.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory)] - elif ttype == self.TASK_TRAIN_FF: - args = ['{}/models/deepmd/main_deepmd.py'.format(self._deepdrivemd_directory), - '{}/ab_initio'.format(self.cfg.experiment_directory), - '{}/deepmd/{}'.format(self.cfg.experiment_directory,argument_val)] #training folder name - -# elif ttype == self.TASK_DDMD: #TODO: ask to to HUUB -# args = ['{}/Executables/training.py'.format(self.args.work_dir), -# '--num_epochs={}'.format(self.args.num_epochs_train), -# '--device=gpu', -# '--phase={}'.format(phase_idx), -# '--data_root_dir={}'.format(self.args.data_root_dir), -# '--model_dir={}'.format(self.args.model_dir), -# '--num_sample={}'.format(self.args.num_sample * (1 if phase_idx == 0 else 2)), -# '--num_mult={}'.format(self.args.num_mult_train), -# '--dense_dim_in={}'.format(self.args.dense_dim_in), -# '--dense_dim_out={}'.format(self.args.dense_dim_out), -# '--mat_size={}'.format(self.args.mat_size), -# '--preprocess_time={}'.format(self.args.preprocess_time_train), -# '--write_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["train"]["write"]), -# '--read_size={}'.format(self.io_dict["phase{}".format(phase_idx)]["train"]["read"])] - - - return args - - - - # -------------------------------------------------------------------------- - # - def __del__(self): - - self.close() - - - # -------------------------------------------------------------------------- - # - def close(self): - - if self._session is not None: - self._session.close(download=True) - self._session = None - - - # -------------------------------------------------------------------------- - # - def dump(self, task=None, msg=''): - ''' - dump a representation of current task set to stdout - ''' - - # this assumes one core per task - - self._rep.plain('<<|') - - idle = self._cores - - for ttype in self.TASK_TYPES: - - n = 0 - for series in self._series: - n += len(self._tasks[series][ttype]) - idle -= n - - if n > self._cores: - idle = 0 - n = self._cores - - self._rep.ok('%s' % self._glyphs[ttype] * n) - - self._rep.plain('%s' % '-' * idle + - '| %4d [%4d]' % (self._cores_used, self._cores)) - - if task and msg: - self._rep.plain(' %-15s: %s\n' % (task.uid, msg)) - else: - if task: - msg = task - self._rep.plain(' %-15s: %s\n' % (' ', msg)) - - - # -------------------------------------------------------------------------- - # - def start(self): - ''' - submit initial set of Ab-initio MD similation tasks DFT - ''' - - self.dump('submit MD simulations') - - # start ab-initio loop - self.stage = 1 - self._submit_task(self.TASK_DFT1, args=None, n=1, cpu=1, gpu=0, series=1, argvals='')#TODO HUUB What is the configuration needed here? - - - - - # -------------------------------------------------------------------------- - # - def stop(self): - - os.kill(os.getpid(), signal.SIGKILL) - os.kill(os.getpid(), signal.SIGTERM) - - - # -------------------------------------------------------------------------- - # - def _get_ttype(self, uid): - ''' - get task type from task uid - ''' - - ttype = uid.split('.')[0] - - assert ttype in self.TASK_TYPES, 'unknown task type: %s' % uid - return ttype - - - # -------------------------------------------------------------------------- - # - def _submit_task(self, ttype, args=None, n=1, cpu=1, gpu=0, series=1, argvals=''): - ''' - submit 'n' new tasks of specified type - ''' - - assert ttype - - # NOTE: ttype can be a task description (or a list of those), or it can - # be a string. In the first case, we submit the given - # description(s). In the second case, we construct the task - # description from the remaining arguments and the ttype string. - if isinstance(ttype, list) and isinstance(ttype[0], rp.TaskDescription): - tds = ttype - - elif isinstance(ttype, rp.TaskDescription): - tds = [ttype] - - elif isinstance(ttype, str): - - cur_args = self.get_arguments(ttype, argument_val=argvals) - tds = list() - for _ in range(n): - - # FIXME: uuid=ttype won't work - the uid needs to be *unique* - - ve_path = "/hpcgpfs01/work/csi/hvandam/pydeepmd-3.11" - tds.append(rp.TaskDescription({ - # FIXME HUUB: give correct environment name - #'pre_exec' : ['. %s/bin/activate' % ve_path, - # 'pip install pyyaml'], - # Activating a conda environment inside a Python virtual environment - # can generate interesting problems. - 'pre_exec' : ['. %s/bin/activate' % ve_path], - 'uid' : ru.generate_id(ttype), - 'ranks' : 1, - 'cores_per_rank' : cpu, - 'gpus_per_rank' : gpu, - 'executable' : 'python', - 'arguments' : cur_args - })) - - else: - raise TypeError('invalid task type %s' % type(ttype)) - - - with self._lock: - - tasks = self._tmgr.submit_tasks(tds) - - for task in tasks: - self._register_task(task, series=series) - - - # -------------------------------------------------------------------------- - # - def _cancel_tasks(self, uids): - ''' - cancel tasks with the given uids, and unregister them - ''' - - uids = ru.as_list(uids) - - # FIXME AM: does not work - self._tmgr.cancel_tasks(uids) - - for uid in uids: - - series = self._get_series(uid=uid) - ttype = self._get_ttype(uid) - task = self._tasks[series][ttype][uid] - self.dump(task, 'cancel [%s]' % task.state) - - self._unregister_task(task) - - self.dump('cancelled') - - - # -------------------------------------------------------------------------- - # - def _register_task(self, task, series: int): - ''' - add task to bookkeeping - ''' - - with self._lock: - - ttype = self._get_ttype(task.uid) - - self._uids[series].append(task.uid) - - self._tasks[series][ttype][task.uid] = task - - cores = task.description['ranks'] \ - * task.description['cores_per_rank'] - self._cores_used += cores - - gpus = task.description['gpu_processes'] - self._gpus_used += gpus - - - # -------------------------------------------------------------------------- - # - def _unregister_task(self, task): - ''' - remove completed task from bookkeeping - ''' - - with self._lock: - - series = self._get_series(task) - ttype = self._get_ttype(task.uid) - - if task.uid not in self._tasks[series][ttype]: - return - - # remove task from bookkeeping - self._final_tasks.append(task.uid) - del self._tasks[series][ttype][task.uid] - self.dump(task, 'unregister %s' % task.uid) - - cores = task.description['ranks'] \ - * task.description['cores_per_rank'] - self._cores_used -= cores - - gpus = task.description['gpu_processes'] - self._gpus_used -= gpus - - - # -------------------------------------------------------------------------- - # - def _state_cb(self, task, state): - ''' - act on task state changes according to our protocol - ''' - - try: - return self._checked_state_cb(task, state) - - except Exception as e: - self._rep.exception('\n\n---------\nexception caught: %s\n\n' % repr(e)) - ru.print_exception_trace() - self.stop() - - - # -------------------------------------------------------------------------- - # - def _checked_state_cb(self, task, state): - - # this cb will react on task state changes. Specifically it will watch - # out for task completion notification and react on them, depending on - # the task type. - - if state in [rp.TMGR_SCHEDULING] + rp.FINAL: - self.dump(task, ' -> %s' % task.state) - - # ignore all non-final state transitions - if state not in rp.FINAL: - return - - # ignore tasks which were already completed - if task.uid in self._final_tasks: - return - - # lock bookkeeping - with self._lock: - - # raise alarm on failing tasks (but continue anyway) - if state == rp.FAILED: - self._rep.error('task %s failed: %s' % (task.uid, task.stderr)) - self.stop() - - # control flow depends on ttype - ttype = self._get_ttype(task.uid) - action = self._protocol[ttype] - if not action: - self._rep.exit('no action found for task %s' % task.uid) - action(task) - - # remove final task from bookkeeping - self._unregister_task(task) - - - # -------------------------------------------------------------------------- - # - def _get_series(self, task=None, uid=None): - - if uid: - # look up by uid - for series in self._series: - if uid in self._uids[series]: - return series - - else: - # look up by task type - for series in self._series: - if task.uid in self._uids[series]: - return series - - raise ValueError('task does not belong to any serious') - - - # -------------------------------------------------------------------------- - # - def _control_md(self, task): - ''' - react on completed ff training task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_MD]) > 1: - return - - - self.dump(task, 'completed ab-initio md ') - - #check if this satisfy: - filename = Path(self.cfg.experiment_directory,"molecular_dynamics_runs","lammps_success.txt") - with open(str(filename), "r") as fp: - line = fp.readline() - Satisfy = eval(line) -#DEBUG - if os.path.exists("file_1.txt"): - Satisfy = True - if os.path.exists("file_1.txt"): - with open("file_2.txt","w") as fp: - print("hello",file=fp) - if os.path.exists("file_0.txt"): - with open("file_1.txt","w") as fp: - print("hello",file=fp) - else: - with open("file_0.txt","w") as fp: - print("hello",file=fp) -#DEBUG - if Satisfy: - #FIXME: Here we need to write resource allocation to the YAML file. - # maybe for now we can skip this -# with open (self.args.yaml, 'a') as f: -# self.printYAML(cpus=cpus, gpus=gpus, sim=sim) #FIXME - - # FIXME: ttype is not defined here - # FIXME: ultimately this should work, but right now task_md and task_ddmd_md leave - # their results in different places. So we need to kick the DDMD loop off with - # a DDMD_MD stage - #if not self.cfg.aggregation_stage.skip_aggregation: - # self.generate_aggregating_stage() - #else: - # self.generate_machine_learning_stage() - self.generate_molecular_dynamics_stage() - else: - filename = Path(self.cfg.experiment_directory,"molecular_dynamics_runs","pdb_files.txt") - with open(str(filename), "r") as fp: - Structures = fp.readlines() - if len(Structures) > 0: - self._submit_task(self.TASK_DFT1, args=None, n=1, cpu=1, gpu=0, series=1, argvals='') - - # -------------------------------------------------------------------------- - # - def _control_train_ff(self, task): - ''' - react on completed ff training task - ''' - - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_TRAIN_FF]) > 1: - return - - self.dump(task, 'completed ff train') - cfg = self.cfg.molecular_dynamics_stage - output_path = Path(self.cfg.experiment_directory,"molecular_dynamics_runs") - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = 0 - cfg.task_config.task_idx = 0 - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - initial_pdbs = self.api.get_initial_pdbs(cfg.task_config.initial_pdb_dir) - cfg.task_config.pdb_file = initial_pdbs[0] - os.makedirs(output_path,exist_ok=True) - cfg_path = Path(output_path,"config.yaml") - cfg.task_config.dump_yaml(cfg_path) - self._submit_task(self.TASK_MD, args=None, n=1, cpu=1, gpu=1, series=1, argvals='') - - # -------------------------------------------------------------------------- - # - def _control_dft1(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT1]) > 1: - return - - # TODO READ the inputs.txt - # submit self.TASK_DFT2 for each line - # FIXME HUUB can you please chech to see if this does what you wanted - inputs_file = '{}/ab_initio/inputs.txt'.format(self.cfg.experiment_directory) - with open(inputs_file, "r") as fp: - for line in fp: - filename = line.strip() - self._submit_task(self.TASK_DFT2, args=None, n=1, cpu=1, gpu=0, series=1, argvals=filename) - - self.dump(task, 'completed dft1') - - # -------------------------------------------------------------------------- - # - def _control_dft2(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT2]) > 12: - return - - if len(self._tasks[series][self.TASK_DFT2]) > 0: - # Cancel remaining tasks and submit TASK_DFT3 - uids = list(self._tasks[series][self.TASK_DFT2].keys()) - self._cancel_tasks(uids) - # Wait until all remaining TASK_DFT2 tasks have terminated - while len(self._tasks[series][self.TASK_DFT2]) > 0: - time.sleep(0.01) - self.dump(task, 'completed dft2') - self._submit_task(self.TASK_DFT3, args=None, n=1, cpu=1, gpu=0, series=1, argvals='') - return - - self.dump(task, 'completed dft2') - if len(self._tasks[series][self.TASK_DFT3]) == 0: - self._submit_task(self.TASK_DFT3, args=None, n=1, cpu=1, gpu=0, series=1, argvals='') - - - # -------------------------------------------------------------------------- - # - def _control_dft3(self, task): - ''' - react on completed DFT task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DFT3]) > 1: - return - - self.dump(task, 'completed dft3') - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-1') - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-2') - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-3') - self._submit_task(self.TASK_TRAIN_FF, args=None, n=1, cpu=1, gpu=1, series=1, argvals='train-4') - - # --------------------------------------------------------------------------# - # CONTROLS FOR DDMD LOOP # - # --------------------------------------------------------------------------# - def _control_ddmd_md(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_MD]) > 1: - return - - self.dump(task, 'completed DDMD MD') - if not self.cfg.aggregation_stage.skip_aggregation: - self.generate_aggregating_stage() - else: - self.generate_machine_learning_stage() - # -------------------------------------------------------------------------- - # - def _control_ddmd_aggregation(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_AGGREGATION]) > 1: - return - - self.dump(task, 'completed DDMD Aggregation') - - self.generate_machine_learning_stage() - - # -------------------------------------------------------------------------- - # - def _control_ddmd_train(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_TRAIN]) > 1: - return - - self.dump(task, 'completed DDMD Training') - - self.generate_model_selection_stage() - # -------------------------------------------------------------------------- - # - def _control_ddmd_selection(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_SELECTION]) > 1: - return - - self.dump(task, 'completed DDMD Selection') - - self.generate_agent_stage() - - - # -------------------------------------------------------------------------- - # - def _control_ddmd_agent(self, task): - ''' - react on completed DDMD selection task - ''' - series = self._get_series(task) - - if len(self._tasks[series][self.TASK_DDMD_AGENT]) > 1: - return - - self.dump(task, 'completed DDMD agent') - - #Check if we are done with DDMD loop: - if self.stage_idx < self.cfg.max_iteration: - self.stage_idx += 1 - self.generate_molecular_dynamics_stage() - else: - self.dump("DONE!!!") - ddmd.close() #TODO Check if this is needed!!! - - - # --------------------------------------------------------------------------# - # Place holder for Ab-initio Stages # - # --------------------------------------------------------------------------# - def generate_dft_stage(self, structure = None, path="pbd_files.txt"): - return - #cfg = self.cfg.dft - #stage_api = self.api.dft - - #task_idx = 0 - #output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - #assert output_path is not None - - ## Update base parameters - #cfg.task_config.experiment_directory = self.cfg.experiment_directory - #cfg.task_config.stage_idx = self.stage_idx - #cfg.task_config.task_idx = task_idx - #cfg.task_config.node_local_path = self.cfg.node_local_path - #cfg.task_config.output_path = output_path - - ## Write yaml configuration - #cfg_path = stage_api.config_path(self.stage_idx, task_idx) - #assert cfg_path is not None - #cfg.task_config.dump_yaml(cfg_path) - #td = self.generate_task_description(cfg) - #td.arguments += ["-c", cfg_path.as_posix()] - #td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) - #self._submit_task(td, series = 1) - - def generate_fft_stage(self, structure = None, path="pbd_files.txt"): - return - #cfg = self.cfg.dft - #stage_api = self.api.dft - - #task_idx = 0 - #output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - #assert output_path is not None - - ## Update base parameters - #cfg.task_config.experiment_directory = self.cfg.experiment_directory - #cfg.task_config.stage_idx = self.stage_idx - #cfg.task_config.task_idx = task_idx - #cfg.task_config.node_local_path = self.cfg.node_local_path - #cfg.task_config.output_path = output_path - - ## Write yaml configuration - #cfg_path = stage_api.config_path(self.stage_idx, task_idx) - #assert cfg_path is not None - #cfg.task_config.dump_yaml(cfg_path) - #td = self.generate_task_description(cfg) - #td.arguments += ["-c", cfg_path.as_posix()] - #td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) - #self._submit_task(td, series = 1) - - def generate_md_stage(self, structure = None, path="pbd_files.txt"): - return - #cfg = self.cfg.dft - #stage_api = self.api.dft - - #task_idx = 0 - #output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - #assert output_path is not None - - ## Update base parameters - #cfg.task_config.experiment_directory = self.cfg.experiment_directory - #cfg.task_config.stage_idx = self.stage_idx - #cfg.task_config.task_idx = task_idx - #cfg.task_config.node_local_path = self.cfg.node_local_path - #cfg.task_config.output_path = output_path - - ## Write yaml configuration - #cfg_path = stage_api.config_path(self.stage_idx, task_idx) - #assert cfg_path is not None - #cfg.task_config.dump_yaml(cfg_path) - #td = self.generate_task_description(cfg) - #td.arguments += ["-c", cfg_path.as_posix()] - #td.uid = ru.generate_id(self.TASK_DDMD_SELECTION) - #self._submit_task(td, series = 1) - - - - - -# ------------------------------------------------------------------------------ -# -if __name__ == '__main__': - ddmd = DDMD() - try: - ddmd.start() - while True: - #ddmd.dump() - time.sleep(1) - - finally: - ddmd.close() - - -# ------------------------------------------------------------------------------ diff --git a/src/__init__.py b/src/__init__.py deleted file mode 100644 index 3b93d0b..0000000 --- a/src/__init__.py +++ /dev/null @@ -1 +0,0 @@ -__version__ = "0.0.2" diff --git a/src/agents/lof/bin/lassen.sh b/src/agents/lof/bin/lassen.sh deleted file mode 100755 index f768dc6..0000000 --- a/src/agents/lof/bin/lassen.sh +++ /dev/null @@ -1,21 +0,0 @@ -#!/bin/bash - -cmd_params=$@ - -# important variables -export WORLD_SIZE=${OMPI_COMM_WORLD_SIZE} -export RANK=${OMPI_COMM_WORLD_RANK} -export LOCAL_RANK=${OMPI_COMM_WORLD_LOCAL_RANK} -export MASTER_PORT=29500 -export MASTER_ADDR=$(cat ${LSB_DJOB_HOSTFILE} | head -n2 | tail -n1) -export LC_ALL=en_US.utf-8 -export LANG=en_US.utf-8 -export WANDB_MODE=dryrun - -# determine gpu -enc_gpu=$(( ${LOCAL_RANK} )) - -# launch code -cmd="$cmd_params -E ${enc_gpu} --distributed" -echo ${cmd} -($cmd) \ No newline at end of file diff --git a/src/agents/lof/config.py b/src/agents/lof/config.py deleted file mode 100644 index 14c5d2c..0000000 --- a/src/agents/lof/config.py +++ /dev/null @@ -1,72 +0,0 @@ -from typing import Any, Dict, Optional - -from pydantic import root_validator, validator - -from deepdrivemd.config import AgentTaskConfig - - -class OutlierDetectionConfig(AgentTaskConfig): - """Outlier detection algorithm configuration.""" - - # Number of outliers to detect with LOF - num_intrinsic_outliers: int = 100 - # Number of outliers to choose from `num_intrinsic_outliers` - # ranked by the extrinsic scoring method - num_extrinsic_outliers: int = 100 - # Intrinsic scoring method - intrinsic_score: Optional[str] = "lof" - # Exrtrinsic scoring method - extrinsic_score: Optional[str] = None - # Number of frames in each trajectory/HDF5 file - #n_traj_frames: int = 200 - n_traj_frames: int = 1000 # This really should be established at runtime. - # Select the n most recent HDF5 files for outlier search - n_most_recent_h5_files: int = 10 - # Select k random HDF5 files from previous DeepDriveMD iterations for outlier search - k_random_old_h5_files: int = 0 - # Number of workers to use for LOF - sklearn_num_jobs: int = -1 - # Machine learning model type - model_type: str = "AAE3d" - #model_type: str = "keras_cvae" - # Inference batch size for encoder forward pass - inference_batch_size: int = 128 - - @root_validator(skip_on_failure=True) - def num_outliers_check(cls, values: Dict[str, Any]) -> Dict[str, Any]: - num_intrinsic_outliers = values["num_intrinsic_outliers"] - num_extrinsic_outliers = values["num_extrinsic_outliers"] - if num_extrinsic_outliers > num_intrinsic_outliers: - raise ValueError( - "num_extrinsic_outliers must be less than or equal to num_intrinsic_outliers" - ) - return values - - @root_validator(skip_on_failure=True) - def scoring_method_check(cls, values: Dict[str, Any]) -> Dict[str, Any]: - intrinsic_score = values.get("intrinsic_score") - extrinsic_score = values.get("extrinsic_score") - valid_intrinsic_scores = {"lof", "dbscan", "dbscan_lof_outlier", None} - valid_extrinsic_scores = {"rmsd", None} - if intrinsic_score is None and extrinsic_score is None: - raise ValueError("intrinsic_score and extrinsic_score cannot both be None.") - if intrinsic_score not in valid_intrinsic_scores: - raise ValueError( - f"intrinsic score must be one of {valid_intrinsic_scores}, not {intrinsic_score}." - ) - if extrinsic_score not in valid_extrinsic_scores: - raise ValueError( - f"extrinsic score must be one of {valid_extrinsic_scores}, not {extrinsic_score}." - ) - return values - - @validator("model_type") - def model_type_check(cls, v: str) -> str: - valid_model_types = {"AAE3d", "keras_cvae"} - if v not in valid_model_types: - raise ValueError(f"model_type must be one of {valid_model_types}, not {v}.") - return v - - -if __name__ == "__main__": - OutlierDetectionConfig().dump_yaml("lof_template.yaml") diff --git a/src/agents/lof/lof.py b/src/agents/lof/lof.py deleted file mode 100644 index 06486cf..0000000 --- a/src/agents/lof/lof.py +++ /dev/null @@ -1,314 +0,0 @@ -import argparse -import json -import random -from pathlib import Path -from typing import TYPE_CHECKING, Any, Dict, List, Optional, Tuple - -if TYPE_CHECKING: - import numpy.typing as npt - -import numpy as np -from sklearn.neighbors import LocalOutlierFactor # type: ignore[import] - -from deepdrivemd.agents.lof.config import OutlierDetectionConfig -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.data.utils import get_virtual_h5_file, parse_h5 -from deepdrivemd.selection.latest.select_model import get_model_path -from deepdrivemd.utils import PathLike, Timer, bestk, setup_mpi, setup_mpi_comm - - -def get_representation( - model_type: str, - model_cfg_path: PathLike, - model_weights_path: PathLike, - h5_file: PathLike, - inference_batch_size: int = 128, - gpu_id: int = 0, - comm: Optional[Any] = None, -) -> "npt.ArrayLike": - if model_type == "AAE3d": - from deepdrivemd.models.aae.inference import generate_embeddings - - # Generate embeddings with a distributed forward pass - embeddings = generate_embeddings( - model_cfg_path, - h5_file, - model_weights_path, - inference_batch_size, - gpu_id, - comm, - ) - elif model_type == "keras_cvae": - from deepdrivemd.models.keras_cvae.inference import generate_embeddings # type: ignore[no-redef] - - embeddings = generate_embeddings( # type: ignore[call-arg] - model_cfg_path, - h5_file, - model_weights_path, - inference_batch_size, - ) - else: - raise ValueError(f"model_type {cfg.model_type} not supported") - - return embeddings - - -def run_dbscan(data: "npt.ArrayLike", eps: float = 0.35) -> "npt.ArrayLike": - # RAPIDS.ai import as needed - import cupy as cp # type: ignore[import] - from cuml import DBSCAN as DBSCAN # type: ignore[import] - - db = DBSCAN(eps=eps, min_samples=10, max_mbytes_per_batch=500).fit(cp.asarray(data)) - outlier_inds = np.flatnonzero(db.labels_.to_array() == -1) - return outlier_inds - - -def dbscan_outlier_search( - embeddings: "npt.ArrayLike", num_intrinsic_outliers: int -) -> "npt.ArrayLike": - """Find best eps and return corresponding outlier indices.""" - - # TODO: Move these parameters to config - eps = 1.3 - outlier_min = num_intrinsic_outliers - outlier_max = num_intrinsic_outliers + 2000 - attempts = 120 - - for _ in range(attempts): - n_outlier = 0 - try: - outliers = run_dbscan(embeddings, eps=eps) - n_outlier = len(outliers) # type: ignore[arg-type] - except Exception as e: - print(e, "\nNo outliers found") - - if n_outlier > outlier_max: - eps += 0.09 * random.random() - elif n_outlier < outlier_min: - eps = max(0.01, eps - 0.09 * random.random()) - else: - return outliers - - raise ValueError("Found no outliers after DBSCAN search.") - - -def get_intrinsic_score( - embeddings: "npt.ArrayLike", cfg: OutlierDetectionConfig -) -> Tuple["npt.ArrayLike", "npt.ArrayLike"]: - - if cfg.intrinsic_score == "lof": - # Perform LocalOutlierFactor outlier detection on embeddings - clf = LocalOutlierFactor(n_jobs=cfg.sklearn_num_jobs) - embeddings = np.nan_to_num(embeddings, nan=0.0) # type: ignore[no-untyped-call] - # Array with 1 if inlier, -1 if outlier - clf.fit_predict(embeddings) - - assert cfg.num_intrinsic_outliers is not None - # Get best scores and corresponding indices - intrinsic_scores, intrinsic_inds = bestk( - clf.negative_outlier_factor_, k=cfg.num_intrinsic_outliers - ) - elif cfg.intrinsic_score == "dbscan": - intrinsic_inds = dbscan_outlier_search(embeddings, cfg.num_intrinsic_outliers) - # DBSCAN does not have an outlier score - intrinsic_scores = np.zeros(len(intrinsic_inds)) # type: ignore[arg-type] - elif cfg.intrinsic_score == "dbscan_lof_outlier": - try: - intrinsic_inds = dbscan_outlier_search( - embeddings, cfg.num_intrinsic_outliers - ) - except ValueError: - print("WARNING: Could not find outliers with DBSCAN") - # Default to the "lof" intrinsic score if DBSCAN doesn't find outliers - intrinsic_inds = np.arange(len(embeddings)) # type: ignore[arg-type] - clf = LocalOutlierFactor() - clf.fit_predict(embeddings[intrinsic_inds]) # type: ignore[index] - intrinsic_scores: "npt.ArrayLike" = clf.negative_outlier_factor_ # type: ignore[no-redef] - # Sort the DBSCAN outliers by LOF score. - # The smaller the lof_score, the more likely the point is an outlier. - sorted_lof_inds = np.argsort(intrinsic_scores) - intrinsic_inds = intrinsic_inds[sorted_lof_inds] # type: ignore[call-overload, index] - - else: - # If no intrinsic_score, simply return all the data - intrinsic_inds = np.arange(len(embeddings)) # type: ignore[arg-type] - intrinsic_scores = np.zeros(len(embeddings)) # type: ignore[arg-type] - - # Returns n_outlier best outliers sorted from best to worst - return intrinsic_scores, intrinsic_inds - - -def get_extrinsic_score( - intrinsic_inds: "npt.ArrayLike", virtual_h5_file: Path, cfg: OutlierDetectionConfig -) -> Tuple["npt.ArrayLike", "npt.ArrayLike"]: - - if cfg.extrinsic_score == "rmsd": - # Get all RMSD values from virutal HDF5 file - rmsds = parse_h5(virtual_h5_file, fields=["rmsd"])["rmsd"] - # Select the subset choosen with the intrinsic score method - intrinsic_rmsds = rmsds[intrinsic_inds] # type: ignore[index] - # Find the best points within the selected subset - extrinsic_scores, extrinsic_inds = bestk( - intrinsic_rmsds, k=cfg.num_extrinsic_outliers - ) - else: - # If no extrinsic_score, simply return the intrinsic selection - extrinsic_inds = np.arange(cfg.num_extrinsic_outliers) - extrinsic_scores = np.zeros(len(extrinsic_inds)) # type: ignore[arg-type] - - return extrinsic_scores, extrinsic_inds - - -def generate_outliers( - md_data: Dict[str, List[str]], - sampled_h5_files: List[str], - outlier_inds: "npt.ArrayLike", - intrinsic_scores: "npt.ArrayLike", - extrinsic_scores: "npt.ArrayLike", -) -> List[Dict[str, object]]: - - assert len(intrinsic_scores) == len(extrinsic_scores) # type: ignore[arg-type] - assert len(intrinsic_scores) == len(outlier_inds) # type: ignore[arg-type] - - # Get all available MD data - all_h5_files = md_data["data_files"] - all_traj_files = md_data["traj_files"] - all_pdb_files = md_data["structure_files"] - - # Mapping from the sampled HDF5 file to the index into md_data - h5_sample_ind_to_all = { - h5_file: all_h5_files.index(h5_file) for h5_file in sampled_h5_files - } - - # Collect outlier metadata used to create PDB files down stream - outliers = [] - for outlier_ind, intrinsic_score, extrinsic_score in zip( - outlier_inds, intrinsic_scores, extrinsic_scores # type: ignore[arg-type, misc] - ): - # divmod returns a tuple of quotient and remainder - sampled_index, frame = divmod(outlier_ind, cfg.n_traj_frames) # type: ignore[operator] - # Need to remap subsampled h5_file index back to all md_data - all_index = h5_sample_ind_to_all[sampled_h5_files[sampled_index]] - - # Collect data to be passed into DeepDriveMD_API.write_task_json() - # Data must be JSON serializable. - outlier = { - "structure_file": str(all_pdb_files[all_index]), - "traj_file": str(all_traj_files[all_index]), - "frame": int(frame), - "outlier_ind": int(outlier_ind), # type: ignore[call-overload] - "intrinsic_score": float(intrinsic_score), # type: ignore[arg-type] - "extrinsic_score": float(extrinsic_score), # type: ignore[arg-type] - } - outliers.append(outlier) - - return outliers - - -def main(cfg: OutlierDetectionConfig, encoder_gpu: int, distributed: bool) -> None: - - comm = setup_mpi_comm(distributed) - comm_size, comm_rank = setup_mpi(comm) - - if comm_rank == 0: - - # Collect training data - api = DeepDriveMD_API(cfg.experiment_directory) - - with Timer("agent_get_last_n_md_runs"): - md_data = api.get_last_n_md_runs() - - with Timer("agent_get_virtual_h5_file"): - virtual_h5_file, sampled_h5_files = get_virtual_h5_file( - output_path=cfg.output_path, - all_h5_files=md_data["data_files"], - last_n=cfg.n_most_recent_h5_files, - k_random_old=cfg.k_random_old_h5_files, - virtual_name=f"virtual_{api.agent_stage.unique_name(cfg.output_path)}", - node_local_path=cfg.node_local_path, - ) - - with open(cfg.output_path.joinpath("virtual-h5-metadata.json"), "w") as f: - json.dump(sampled_h5_files, f) - - # Get best model hyperparameters and weights - with Timer("agent_get_model_path"): - token = get_model_path(api=api) - assert token is not None - model_cfg_path, model_weights_path = token - - else: - virtual_h5_file, model_cfg_path, model_weights_path = None, None, None # type: ignore[assignment] - - if comm_size > 1: - virtual_h5_file = comm.bcast(virtual_h5_file, 0) # type: ignore[union-attr] - model_cfg_path = comm.bcast(model_cfg_path, 0) # type: ignore[union-attr] - model_weights_path = comm.bcast(model_weights_path, 0) # type: ignore[union-attr] - - # Select machine learning model and generate embeddings - with Timer("agent_get_representation"): - embeddings = get_representation( - cfg.model_type, - model_cfg_path, - model_weights_path, - virtual_h5_file, - cfg.inference_batch_size, - encoder_gpu, - comm, - ) - - if comm_rank == 0: - - with Timer("agent_get_intrinsic_score"): - intrinsic_scores, intrinsic_inds = get_intrinsic_score(embeddings, cfg) - - # Prune the best intrinsically ranked points with an extrinsic score - with Timer("agent_get_extrinsic_score"): - extrinsic_scores, extrinsic_inds = get_extrinsic_score( - intrinsic_inds, virtual_h5_file, cfg - ) - - # Take the subset of indices selected by the extrinsic method - pruned_intrinsic_scores = intrinsic_scores[extrinsic_inds] # type: ignore[index] - pruned_intrinsic_inds = intrinsic_inds[extrinsic_inds] # type: ignore[index] - - with Timer("agent_generate_outliers"): - outliers = generate_outliers( - md_data, - sampled_h5_files, - pruned_intrinsic_inds, - pruned_intrinsic_scores, - extrinsic_scores, - ) - - # Dump metadata to disk for MD stage - with Timer("agent_write_task_json"): - api.agent_stage.write_task_json(outliers, cfg.stage_idx, cfg.task_idx) - - if comm is not None: - # Final barrier - comm.barrier() - - -def parse_args() -> argparse.Namespace: - parser = argparse.ArgumentParser() - parser.add_argument( - "-c", "--config", help="YAML config file", type=str, required=True - ) - parser.add_argument( - "-E", "--encoder_gpu", help="GPU to place encoder", type=int, default=0 - ) - parser.add_argument( - "--distributed", action="store_true", help="Enable distributed inference" - ) - args = parser.parse_args() - return args - - -if __name__ == "__main__": - # set forkserver (needed for summit runs, may cause errors elsewhere) - # torch.multiprocessing.set_start_method("forkserver", force=True) - with Timer("agent_stage"): - args = parse_args() - cfg = OutlierDetectionConfig.from_yaml(args.config) - main(cfg, args.encoder_gpu, args.distributed) diff --git a/src/agents/stream/config.py b/src/agents/stream/config.py deleted file mode 100644 index 822305c..0000000 --- a/src/agents/stream/config.py +++ /dev/null @@ -1,82 +0,0 @@ -from pathlib import Path -from typing import List, Tuple - -from deepdrivemd.config import AgentTaskConfig - - -class OutlierDetectionConfig(AgentTaskConfig): - """Outlier detection algorithm configuration.""" - - # top aggregation directory - agg_dir: Path = Path() - - # number of aggregators - num_agg: int = 2 - # minimum acceptable number of steps in each aggregation file - min_step_increment: int = 500 - # sleep for timeout1 seconds if less than num_agg adios files are available - timeout1: int = 30 - # sleep for timeout2 seconds if less than min_step_increment number of steps is available in each aggregated file; same timeout2 is used to wait for the model to become available - timeout2: int = 10 - # path to the best model - best_model: Path = Path() - # use up to lastN last steps from each aggregated file to cluster and find outliers - lastN: int = 8000 - - # Model hyperparameters - # Latent dimension of the CVAE - latent_dim: int = 10 - # Number of convolutional layers - conv_layers: int = 4 - # Convolutional filters - conv_filters: List[int] = [64, 64, 64, 64] - # Convolutional filter shapes - conv_filter_shapes: List[Tuple[int, int]] = [(3, 3), (3, 3), (3, 3), (3, 3)] - # Convolutional strides - conv_strides: List[Tuple[int, int]] = [(1, 1), (2, 2), (1, 1), (1, 1)] - # Number of dense layers - dense_layers: int = 1 - # Number of neurons in each dense layer - dense_neurons: List[int] = [128] - # Dropout values for each dense layer - dense_dropouts: List[float] = [0.25] - - # number of attempts to find between outlier_min and outlier_max - outlier_count: int = 120 - # maximum number of outliers - outlier_max: int = 4500 - # minimum number of outliers - outlier_min: int = 3000 - # path to the intial pdb file - init_pdb_file: Path = Path() - - # path to the reference pdb file - ref_pdb_file: Path = Path() - - # initial value for eps for dbscan - init_eps: float = 1.3 - # initial value for min_samples for dbscan - init_min_samples: int = 10 - # adios xml configuration file for aggregated data - adios_xml_agg: Path = "" - # batch file for reading data from adios file - read_batch: int = 10000 - # use rapids version of TSNE or scikit-learn version in postproduction when computing embeddings - project_gpu: bool = False - # use project_lastN last samples from each aggregator to search for outliers - project_lastN: int = 8000 - num_sim: int = 120 - use_outliers: bool = True - use_random_outliers: bool = False - compute_rmsd: bool = True - compute_zcentroid: bool = False - final_shape: List[int] = [28, 28, 1] - outlier_selection: str = "rmsd" - multi_ligand_table: Path = Path() - model: str = "cvae" - num_points: int = 539 - num_features: int = 0 - - -if __name__ == "__main__": - OutlierDetectionConfig().dump_yaml("dbscan_template.yaml") diff --git a/src/agents/stream/dbscan.py b/src/agents/stream/dbscan.py deleted file mode 100644 index 5b61ae0..0000000 --- a/src/agents/stream/dbscan.py +++ /dev/null @@ -1,1096 +0,0 @@ -import argparse -import glob -import itertools -import os -import pickle -import random -import subprocess -import sys -import time -from pathlib import Path -from typing import Dict, List, Tuple, Union - -import adios2 -import cupy as cp -import numpy as np -import pandas as pd -import tensorflow.keras.backend as K -import torch -from cuml import DBSCAN as DBSCAN -from mdlearn.nn.models.aae.point_3d_aae import AAE3d -from numba import cuda -from pathos.multiprocessing import ProcessingPool as Pool -from openmm.app.pdbfile import PDBFile -from sklearn.neighbors import LocalOutlierFactor -from torchsummary import summary - -from deepdrivemd.agents.stream.config import OutlierDetectionConfig -from deepdrivemd.data.stream.aggregator_reader import ( - StreamContactMapVariable, - Streams, - StreamScalarVariable, - StreamVariable, -) -from deepdrivemd.data.stream.enumerations import DataStructure -from deepdrivemd.data.stream.OutlierDB import OutlierDB -from deepdrivemd.models.keras_cvae.model import CVAE -from deepdrivemd.utils import Timer, timer - -pool = Pool(39) - - -def clear_gpu(): - K.clear_session() - try: - device = int(os.environ["CUDA_VISIBLE_DEVICES"]) - print("device = ", device) - cuda.select_device(device) - cuda.close() - sys.stdout.flush() - except Exception as e: - print(e) - - -def build_model(cfg: OutlierDetectionConfig, model_path: str): - if cfg.model == "cvae": - cvae = CVAE( - image_size=cfg.final_shape, - channels=cfg.final_shape[-1], - conv_layers=cfg.conv_layers, - feature_maps=cfg.conv_filters, - filter_shapes=cfg.conv_filter_shapes, - strides=cfg.conv_strides, - dense_layers=cfg.dense_layers, - dense_neurons=cfg.dense_neurons, - dense_dropouts=cfg.dense_dropouts, - latent_dim=cfg.latent_dim, - ) - cvae.load(model_path) - return cvae, None - elif cfg.model == "aae": - device = torch.device("cuda") - print("device = ", device) - try: - print(cfg.aae) - except: # noqa TODO: flake8 - should not have a bar except - cfg.aae = AAE3d( - cfg.num_points, - cfg.num_features, - cfg.latent_dim, - cfg.encoder_bias, - cfg.encoder_relu_slope, - cfg.encoder_filters, - cfg.encoder_kernels, - cfg.decoder_bias, - cfg.decoder_relu_slope, - cfg.decoder_affine_widths, - cfg.discriminator_bias, - cfg.discriminator_relu_slope, - cfg.discriminator_affine_widths, - ) - print(subprocess.getstatusoutput("nvidia-smi")[1]) - print(subprocess.getstatusoutput("free -h")[1]) - print(subprocess.getstatusoutput("top -b -n1 -U yakushin")[1]) - print("model_path=", model_path) - sys.stdout.flush() - if os.path.exists(str(model_path)): - checkpoint = torch.load(model_path, map_location="cpu") - cfg.aae.load_state_dict(checkpoint["model_state_dict"]) - cfg.aae = cfg.aae.to(device) - cfg.aae.eval() - summary(cfg.aae, (3 + cfg.num_features, cfg.num_points)) - torch.cuda.empty_cache() - - return cfg.aae, device - - -def wait_for_model(cfg: OutlierDetectionConfig) -> str: - """Wait for the trained model to be published by machine learning pipeline. - - Returns - ------- - str - Path to the model. - """ - - while True: - if os.path.exists(cfg.best_model): - break - if(os.getenv('DDMD_DEBUG') == None): - print(f"No model {cfg.best_model}, sleeping") - sys.stdout.flush() - time.sleep(cfg.timeout2) - return cfg.best_model - - -def wait_for_input(cfg: OutlierDetectionConfig) -> List[str]: - """Wait for enough data to be produced by simulations. - - Returns - ------- - List[str] - List of aggregated bp files. - """ - while True: - bpfiles = glob.glob(str(cfg.agg_dir / "*/*/agg.bp*")) - if len(bpfiles) == cfg.num_agg: - break - print(f"Waiting for {cfg.num_agg} agg.bp files") - time.sleep(cfg.timeout1) - - print(f"bpfiles = {bpfiles}") - - return bpfiles - - -def dirs(cfg: OutlierDetectionConfig) -> Tuple[str, str, str]: - """Create tmp_dir and published_dir into which outliers are written - Returns - ------- - Tuple[str, str, str] - Paths to temporary and published directories. As the outliers are found, they are first written into `tmp_dir` and late moved to `published_dir` from where they are taken by the simulations. - """ - tmp_dir = cfg.output_path / "tmp" - published_dir = cfg.output_path / "published_outliers" - tmp_dir.mkdir(exist_ok=True) - published_dir.mkdir(exist_ok=True) - return tmp_dir, published_dir - - -def predict( - cfg: OutlierDetectionConfig, - model_path: str, - agg_input: Dict[str, Union[str, int, float, np.ndarray]], - batch_size: int = 32, -) -> np.ndarray: - """Project contact maps into the middle layer of CVAE - - Parameters - ---------- - cfg : OutlierDetectionConfig - model_path : str - Path to the published model. - agg_input : Dict[str, Union[str, int, float, np.ndarray], - positions, velocities, etc - batch_size : int - Batch size used to project input to the middle layer of the autoencoder. - Returns - ------- - np.ndarray - The latent space representation of the input. - """ - - if cfg.model == "cvae": - input = np.expand_dims(agg_input["contact_map"], axis=-1) - cfg.initial_shape = input.shape[1:3] - cfg.final_shape = list(input.shape[1:3]) + list(np.array([1])) - elif cfg.model == "aae": - input = np.transpose(agg_input["point_cloud"], [0, 2, 1]) - - print(f"input.shape = {input.shape}") - sys.stdout.flush() - - if cfg.model == "cvae": - cvae, _ = build_model(cfg, model_path) - cm_predict = cvae.return_embeddings(input, batch_size) - del cvae - clear_gpu() - return cm_predict - elif cfg.model == "aae": - _, device = build_model(cfg, model_path) - - p_list = [] - - batch_size = 10 - n = len(input) // batch_size - print("n = ", n) - for i in range(n): - start = i * batch_size - end = (i + 1) * batch_size - - print("start = ", start, ", end = ", end) - - with torch.no_grad(): - p_list.append( - cfg.aae.encode(torch.from_numpy(input[start:end]).to(device)) - .detach() - .cpu() - .numpy() - ) - - prediction = np.concatenate(p_list) - - # del aae - torch.cuda.empty_cache() - - return prediction - - -def outliers_from_latent( - cm_predict: np.ndarray, eps: float = 0.35, min_samples: int = 10 -) -> np.ndarray: - """Cluster the elements in the middle layer of CVAE. - - Parameters - ---------- - cm_predict : np.ndarray[np.float32] - Projections of contact maps to the middle layer of CVAE. - eps : float - DBSCAN's eps - min_samples : int - DBSCAN's min_samples. - - Returns - ------- - np.ndarray - Indices of outliers. - """ - cm_predict = cp.asarray(cm_predict) - db = DBSCAN(eps=eps, min_samples=min_samples, max_mbytes_per_batch=100).fit( - cm_predict - ) - db_label = db.labels_.to_array() - print("unique labels = ", np.unique(db_label)) - outlier_list = np.where(db_label == -1) - return outlier_list - - -def cluster( - cfg: OutlierDetectionConfig, - cm_predict: np.ndarray, - outlier_list: np.ndarray, - eps: float, - min_samples: int, -) -> Tuple[float, int]: - """Run :obj:`outliers_from_latent` changing parameters of DBSCAN until - the desired number of outliers is obtained. - - Parameters - ---------- - cfg : OutlierDetectionConfig - cm_predict : np.ndarray - outlier_list : np.ndaray - eps : float - min_samples : int - - Returns - ------- - Tuple[float, int] - eps, min_samples which give the number of outliers in the desired range. - """ - outlier_count = cfg.outlier_count - while outlier_count > 0: - n_outlier = 0 - try: - outliers = np.squeeze( - outliers_from_latent(cm_predict, eps=eps, min_samples=min_samples) - ) - n_outlier = len(outliers) - except Exception as e: - print(e) - print("No outliers found") - - print( - f"eps = {eps}, min_samples = {min_samples}, number of outlier found: {n_outlier}" - ) - - if n_outlier > cfg.outlier_max: - eps = eps + 0.09 * random.random() - min_samples -= int(random.random() < 0.5) - min_samples = max(5, min_samples) - elif n_outlier < cfg.outlier_min: - eps = max(0.01, eps - 0.09 * random.random()) - min_samples += int(random.random() < 0.5) - else: - outlier_list.append(outliers) - break - outlier_count -= 1 - return eps, min_samples - - -def write_pdb_frame( - frame: np.ndarray, original_pdb: Path, output_pdb_fn: str, ligand: int -): - """Write positions into pdb file. - - Parameters - ---------- - frame : np.ndarray - Positions of atoms. - original_pdb : str - PDB file with initial condition to be used for topology. - output_pdb_fn : str - Where to write an outlier. - """ - print( - "In write_pdb_frame, original_pdb = ", - original_pdb, - ", output_pdb_fn = ", - output_pdb_fn, - ", ligand = ", - ligand, - ", frame.shape = ", - frame.shape, - ) - sys.stdout.flush() - - np.save(str(output_pdb_fn), frame) - -def write_pdb_frame_2( - frame: np.ndarray, original_pdb: Path, output_pdb_fn: str, ligand: int -): - """Write positions into pdb file. - - Parameters - ---------- - frame : np.ndarray - Positions of atoms. - original_pdb : str - PDB file with initial condition to be used for topology. - output_pdb_fn : str - Where to write an outlier. - """ - pdb = PDBFile(str(original_pdb)) - print( - "write_pdb_frame: original_pdb = ", - original_pdb, - " frame.shape = ", - frame.shape, - " ligand = ", - ligand, - ) - sys.stdout.flush() - with open(str(output_pdb_fn), "w") as f: - try: - PDBFile.writeFile(pdb.getTopology(), frame, f) - except Exception as e: - print( - e, - "\n", - "original_pdb = ", - str(original_pdb), - "frame.shape = ", - frame.shape, - "output_pdb_fn = ", - str(output_pdb_fn), - "ligand = ", - ligand, - file=sys.stderr, - ) - sys.stdout.flush() - sys.stderr.flush() - raise e - f.flush() - f.flush() - - del pdb - - sys.stdout.flush() - sys.stderr.flush() - - -def check_output(dir): - print("=" * 30) - print(subprocess.getstatusoutput(f"ls -l {dir}/*")[1]) - print("=" * 30) - print(subprocess.getstatusoutput(f"md5sum {dir}/*")[1]) - print("=" * 30) - sys.stdout.flush() - - -def write_top_outliers( - cfg: OutlierDetectionConfig, - tmp_dir: str, - top: Dict[str, Union[str, int, float, np.ndarray]], -): - """Save to PDB files top outliers. - - Parameters - ---------- - cfg : OutlierDetectionConfig - tmp_dir : str - Temporary directory to write outliers to. - top : Dict[str, Union[str, int, float, np.ndarray]] - Top :obj:`N` positions, velocities, md5sums, etc. - :obj:`N` is equal to the number of the simulations. - """ - positions, velocities, md5s = top["positions"], top["velocities"], top["md5s"] - - pp = [] - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - dirs = top["dirs"] # top[5] - print("dirs=") - print(dirs) - table = pd.read_csv(cfg.multi_ligand_table) - for p, v, m, d in zip(positions, velocities, md5s, dirs): - print("d=", d) - sys.stdout.flush() - d = int(d) - print(" d=", d) - topology_file = table["pdb"][d] - tdir = table["tdir"][d] - outlier_pdb_file = f"{tmp_dir}/p_{m}.npy" - outlier_v_file = f"{tmp_dir}/v_{m}.npy" - init_pdb_file = Path(f"{tdir}/system/{topology_file}") - - pp.append( - pool.apipe( - write_pdb_frame, p.copy(), init_pdb_file, outlier_pdb_file, d - ) - ) - pp.append(pool.apipe(np.save, outlier_v_file, v)) - task_file = f"{tmp_dir}/{m}.txt" - with open(task_file, "w") as f: - f.write(str(d)) - f.flush() - else: - for p, v, m in zip(positions, velocities, md5s): - outlier_pdb_file = f"{tmp_dir}/p_{m}.npy" - outlier_v_file = f"{tmp_dir}/v_{m}.npy" - pp.append( - pool.apipe(write_pdb_frame, p, cfg.init_pdb_file, outlier_pdb_file, -1) - ) - pp.append(pool.apipe(np.save, outlier_v_file, v)) - - for p in pp: - zz = p.get() - print(zz) - - sys.stdout.flush() - sys.stderr.flush() - - check_output(tmp_dir) - - -def write_db( - top: Dict[str, Union[str, int, float, np.ndarray]], tmp_dir: Path -) -> OutlierDB: - """Create and save a database of outliers to be used by simulation.""" - outlier_db_fn = f"{tmp_dir}/OutlierDB.pickle" - outlier_files = list(map(lambda x: f"{tmp_dir}/{x}.pdb", top["md5s"])) - rmsds = top["rmsds"] - db = OutlierDB(tmp_dir, list(zip(rmsds, outlier_files))) - with open(outlier_db_fn, "wb") as f: - pickle.dump(db, f) - return db - - -def publish(tmp_dir: Path, published_dir: Path): - """Publish outliers and the corresponding database for simulations to pick up.""" - dbfn = f"{published_dir}/OutlierDB.pickle" - subprocess.getstatusoutput(f"touch {dbfn}") - - print(subprocess.getstatusoutput(f"mv {tmp_dir}/*.npy {published_dir}/")) - print(subprocess.getstatusoutput(f"mv {tmp_dir}/*.txt {published_dir}/")) - print(subprocess.getstatusoutput(f"mv {tmp_dir}/*.pickle {published_dir}/")) - - -def top_outliers( - cfg: OutlierDetectionConfig, - agg_input: Dict[str, Union[np.ndarray, str, int, float]], - outlier_list: np.ndarray, -) -> Dict[str, Union[np.ndarray, str, int, float]]: - """ - Find top :obj:num_sim` outliers sorted by :obj:`rmsd`. - - Parameters - ---------- - cfg : OutlierDetectionConfig - agg_input : Tuple[np.ndarray, np.ndarray, np.ndarray, np.ndarray, np.ndarray] - steps, positions, velocities, md5sums, rmsds - outlier_list : np.ndarray - indices corresponding to outliers - - Returns - ------- - Dict[str, Union[np.ndarray, str, int, float]] - Positions, velocities, md5sums, rmsds, outlier - indices of outliers, sorted in ascending order by rmsd - """ - outlier_list = list(outlier_list[0]) - positions = agg_input["positions"][outlier_list] - velocities = agg_input["velocities"][outlier_list] - md5s = agg_input["md5"][outlier_list] - rmsds = agg_input["rmsd"][outlier_list] - - z = list(zip(positions, velocities, md5s, rmsds, outlier_list)) - z.sort(key=lambda x: x[3]) - z = z[: cfg.num_sim] - z = list(zip(*z)) - - keys = ["positions", "velocities", "md5s", "rmsds", "outliers"] - - return dict(zip(keys, z)) - - -def random_outliers( - cfg: OutlierDetectionConfig, - agg_input: Dict[str, Union[np.ndarray, str, int, float]], - outlier_list: np.ndarray, -) -> Dict[str, Union[np.ndarray, str, int, float]]: - """ - Find :obj:`num_sim` outliers in a random order. Can be used in the absense of :obj:`rmsd`. - - Parameters - ---------- - cfg : OutlierDetectionConfig - agg_input : Tuple[np.ndarray, np.ndarray, np.ndarray, np.ndarray, np.ndarray] - steps, positions, velocities, md5sums, rmsds - outlier_list : np.ndarray - indices corresponding to outliers - - Returns - ------- - Dict[str, Union[np.ndarray, str, int, float]] - Positions, velocities, md5sums, rmsds, outlier, etc - """ - outlier_list = list(outlier_list[0]) - positions = agg_input["positions"][outlier_list] - velocities = agg_input["velocities"][outlier_list] - md5s = agg_input["md5"][outlier_list] - if cfg.compute_rmsd: - rmsds = agg_input["rmsd"][outlier_list] - else: - rmsds = np.array([-1.0] * len(outlier_list)) - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - dirs = agg_input["ligand"][outlier_list] - z = list(zip(positions, velocities, md5s, rmsds, outlier_list, dirs)) - keys = ["positions", "velocities", "md5s", "rmsds", "outliers", "dirs"] - else: - z = list(zip(positions, velocities, md5s, rmsds, outlier_list)) - keys = ["positions", "velocities", "md5s", "rmsds", "outliers"] - indices = np.arange(len(z)) - np.random.shuffle(indices) - indices = indices[: cfg.num_sim] - z = [z[i] for i in indices] - z = list(zip(*z)) - - return dict(zip(keys, z)) - - -def run_lof(data: np.ndarray) -> np.ndarray: - clf = LocalOutlierFactor() - clf.fit_predict(data) - lof_scores = clf.negative_outlier_factor_ - return lof_scores - - -def top_lof( - cfg: OutlierDetectionConfig, - agg_input: Dict[str, Union[np.ndarray, str, int, float]], - cm_predict: np.array, - outlier_list: np.ndarray, -) -> Dict[str, Union[np.ndarray, str, int, float]]: - - outlier_list = list(outlier_list[0]) - if cfg.model == "cvae": - projections = cm_predict[outlier_list] - elif cfg.model == "aae": - print("cm_predict.shape = ", cm_predict.shape) - print("len(outlier_list) = ", len(outlier_list)) - print("outlier_list = ", outlier_list) - print("max(outlier_list) = ", max(outlier_list)) - sys.stdout.flush() - try: - projections = cm_predict[outlier_list] - except Exception as e: - print("projection exception") - print(e) - outlier_list = list(filter(lambda x: x < len(cm_predict), outlier_list)) - projections = cm_predict[outlier_list] - - lof_scores = run_lof(projections) - print("lof_scores = ", lof_scores) - sys.stdout.flush() - positions = agg_input["positions"][outlier_list] - velocities = agg_input["velocities"][outlier_list] - md5s = agg_input["md5"][outlier_list] - - if cfg.compute_rmsd: - rmsds = agg_input["rmsd"][outlier_list] - else: - rmsds = np.array([-1.0] * len(outlier_list)) - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - dirs = agg_input["ligand"][outlier_list] - z = list( - zip(positions, velocities, md5s, rmsds, outlier_list, dirs, lof_scores) - ) - z.sort(key=lambda x: x[6]) - keys = ["positions", "velocities", "md5s", "rmsds", "outliers", "dirs", "lofs"] - else: - z = list(zip(positions, velocities, md5s, rmsds, outlier_list, lof_scores)) - z.sort(key=lambda x: x[5]) - keys = ["positions", "velocities", "md5s", "rmsds", "outliers", "lofs"] - z = z[: cfg.num_sim] - z = list(zip(*z)) - return dict(zip(keys, z)) - - -def select_best_random( - cfg: OutlierDetectionConfig, - agg_input: Dict[str, Union[np.ndarray, str, int, float]], -) -> List[int]: - """Sort agg_input by rmsd, selects :obj:`2*cfg.num_sim` best entries, out of them - randomly select :obj:`cfg.num_sim`, return the corresponding indices. - - Parameters - ---------- - cfg : OutlierDetectionConfig - agg_input : Dict[str, Union[np.ndarray, str, int, float]] - steps, positions, velocities, md5sums, rmsds, etc. - - Returns - ------- - List[int] - List of :obj:`cfg.num_sim` indices randomly selected from a list of - :obj:`2*cfg.num_sim` entries with smallest rmsd. - - Note - ---- - This is used when no outliers are found. - """ - rmsds = agg_input["rmsd"] - z = sorted(zip(rmsds, range(len(rmsds))), key=lambda x: x[0]) - sorted_index = list(map(lambda x: x[1], z))[2 * cfg.num_sim :] - sorted_index = random.sample(sorted_index, cfg.num_sim) - return sorted_index - - -def select_best( - cfg: OutlierDetectionConfig, - agg_input: Dict[str, Union[np.ndarray, str, int, float]], -) -> List[int]: - """Sort agg_input by rmsd, selects best :obj:`cfg.num_sim`, return - the corresponding indices. - - Parameters - ---------- - cfg : OutlierDetectionConfig - agg_input : Dict[str, Union[np.ndarray, str, int, float]] - steps, positions, velocities, md5sums, rmsds, etc. - - Returns - ------- - List[int] - List of :obj:`cfg.num_sim` indices for best traversed states among - :obj:`lastN` from each aggregator. - """ - rmsds = agg_input["rmsd"] - z = sorted(zip(rmsds, range(len(rmsds))), key=lambda x: x[0]) - sorted_index = list(map(lambda x: x[1], z))[cfg.num_sim :] - return sorted_index - - -def main(cfg: OutlierDetectionConfig): - print(subprocess.getstatusoutput("hostname")[1]) - sys.stdout.flush() - - print(cfg) - - with Timer("wait_for_input"): - adios_files_list = wait_for_input(cfg) - adios_files_list = list(map(lambda x: x.replace(".sst", ""), adios_files_list)) - - variable_list = [ - StreamVariable("positions", np.float32, DataStructure.array), - StreamVariable("md5", str, DataStructure.string), - StreamVariable("velocities", np.float32, DataStructure.array), - ] - - if cfg.model == "cvae": - variable_list.append( - StreamContactMapVariable("contact_map", np.uint8, DataStructure.array) - ) - elif cfg.model == "aae": - variable_list.append( - StreamVariable("point_cloud", np.float32, DataStructure.array) - ) - - if cfg.compute_rmsd: - variable_list.append( - StreamScalarVariable("rmsd", np.float32, DataStructure.scalar) - ) - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - variable_list.append(StreamVariable("ligand", np.int32, DataStructure.scalar)) - - mystreams = Streams( - adios_files_list, - variable_list, - lastN=cfg.lastN, - config=cfg.adios_xml_agg, - stream_name="AggregatorOutput", - batch=cfg.read_batch, - ) - - with Timer("outlier_read"): - while True: - try: - agg_input = mystreams.next() - except: # noqa TODO: flake8 - should not have a bar except - if(os.getenv('DDMD_DEBUG') == None): - print("Sleeping for input") - time.sleep(60) - continue - if len(agg_input[list(agg_input.keys())[0]]) < 10: - if(os.getenv('DDMD_DEBUG') == None): - time.sleep(30) - else: - break - - with Timer("wait_for_model"): - model_path = str(wait_for_model(cfg)) - - tmp_dir, published_dir = dirs(cfg) - eps = cfg.init_eps - min_samples = cfg.init_min_samples - - # Infinite loop of outlier search iterations - for j in itertools.count(0): - print(f"outlier iteration {j}") - - timer("outlier_search_iteration", 1) - - with Timer("outlier_predict"): - cm_predict = predict(cfg, model_path, agg_input) - - outlier_list = [] - with Timer("outlier_cluster"): - eps, min_samples = cluster(cfg, cm_predict, outlier_list, eps, min_samples) - if ( - cfg.use_outliers is False - or len(outlier_list) == 0 - or len(outlier_list[0]) < cfg.num_sim - ): - print("Not using outliers") - if cfg.compute_rmsd: - print("Using best rmsd states") - outlier_list = [select_best(cfg, agg_input)] - else: - print("Using random states") - outlier_list = [ - list( - np.random.choice( - np.arange(len(agg_input["contact_map"])), - cfg.num_sim, - replace=False, - ) - ) - ] - eps = cfg.init_eps - min_samples = cfg.init_min_samples - if cfg.outlier_selection == "lof": - print("Using top lof outliers") - top = top_lof(cfg, agg_input, cm_predict, outlier_list) - elif cfg.use_random_outliers or (not cfg.compute_rmsd): - print("Using random outliers") - top = random_outliers(cfg, agg_input, outlier_list) - else: - print("Using top outliers sorted by rmsd") - top = top_outliers(cfg, agg_input, outlier_list) - - print("top outliers = ", top["outliers"]) - - with Timer("outlier_write"): - write_top_outliers(cfg, tmp_dir, top) - - with Timer("outlier_db"): - write_db(top, tmp_dir) - - with Timer("outlier_publish"): - publish(tmp_dir, published_dir) - - if(os.getenv('DDMD_DEBUG') == None): - time.sleep(random.randint(250, 350)) - - with Timer("outlier_read"): - agg_input = mystreams.next() - - timer("outlier_search_iteration", -1) - - -# TODO: flake8 says this function is too complex. Needs refactor. -def read_lastN( # noqa - adios_files_list: List[str], lastN: int -) -> Tuple[np.ndarray, np.ndarray]: - """Read :obj:`lastN` steps from each aggregated file. Used by :obj:`project()` - - Parameters - ---------- - adios_files_list : List[str] - A list of aggregated adios files. - lastN :int - How many last entries to get from each file. - - Returns - ------- - Tuple[np.ndarray, np.ndarray] - :obj:`lastN` contact maps from each aggregated file and - :obj:`lastN` corresponding rmsds. - """ - - if cfg.model == "cvae": - vars = ["contact_map"] - elif cfg.model == "aae": - vars = ["point_cloud"] - - if hasattr(cfg, "compute_zcentroid") and cfg.compute_zcentroid: - print("compute_zcentroid = ", cfg.compute_zcentroid) - sys.stdout.flush() - vars.append("zcentroid") - - if cfg.compute_rmsd: - vars.append("rmsd") - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - vars.append("ligand") - vars.append("dir") - - variable_lists = {} - for bp in adios_files_list: - with adios2.open(bp, "r") as fh: - steps = fh.steps() - if steps == 0: - continue - start_step = steps - lastN - 2 - if start_step < 0: - start_step = 0 - lastN = steps - for v in vars: - if v == "contact_map" or v == "point_cloud": - shape = list( - map(int, fh.available_variables()[v]["Shape"].split(",")) - ) - elif v == "rmsd" or v == "zcentroid": - print(fh.available_variables()[v]["Shape"]) - sys.stdout.flush() - if v == "contact_map" or v == "point_cloud": - start = [0] * len(shape) - var = fh.read( - v, - start=start, - count=shape, - step_start=start_step, - step_count=lastN, - ) - elif v == "rmsd" or v == "zcentroid" or v == "ligand": - var = fh.read(v, [], [], step_start=start_step, step_count=lastN) - elif v == "dir": - var = fh.read_string(v, step_start=start_step, step_count=lastN) - if v != "dir": - print("v = ", v, " var.shape = ", var.shape) - else: - print("v = ", v, " len(var) = ", len(var)) - try: - variable_lists[v].append(var) - except Exception as e: - print("Exception ", e) - variable_lists[v] = [var] - - for vl in variable_lists: - print(vl) - print(len(variable_lists[vl])) - variable_lists[vl] = np.vstack(variable_lists[vl]) - print(len(variable_lists[vl])) - - if not variable_lists: - return {} - - if cfg.compute_rmsd: - print(variable_lists["rmsd"].shape) - sys.stdout.flush() - - if cfg.model == "cvae": - result = {"contact_map": variable_lists["contact_map"]} - print(variable_lists["contact_map"].shape) - elif cfg.model == "aae": - result = {"point_cloud": variable_lists["point_cloud"]} - print(variable_lists["point_cloud"].shape) - - if hasattr(cfg, "compute_zcentroid") and cfg.compute_zcentroid: - result["zcentroid"] = np.concatenate(variable_lists["zcentroid"]) - - if cfg.compute_rmsd: - result["rmsds"] = np.concatenate(variable_lists["rmsd"]) - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - result["dirs"] = np.concatenate(variable_lists["dir"]) - result["ligand"] = np.concatenate(variable_lists["ligand"]) - - return result - - -def project_mini(cfg: OutlierDetectionConfig, trajectory: str): - with Timer("wait_for_model"): - model_path = str(wait_for_model(cfg)) - print("model_path = ", model_path) - - lastN = 100000 - - output_path = Path(os.path.dirname(trajectory)) / "embeddings" - output_path.mkdir(exist_ok=True) - - agg_input = read_lastN([trajectory], lastN) - if not agg_input: - return - - if hasattr(cfg, "compute_zcentroid") and cfg.compute_zcentroid: - zcentroid = agg_input["zcentroid"] - with open(output_path / "zcentroid.npy", "wb") as f: - np.save(f, zcentroid) - - if cfg.compute_rmsd: - rmsds = agg_input["rmsds"] - with open(output_path / "rmsd.npy", "wb") as f: - np.save(f, rmsds) - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - ligand = agg_input["ligand"] - sim = agg_input["dirs"] - for j in range(len(ligand)): - print(f"ligand[{j}] = {ligand[j]}") - if ligand[j] == -1: - ligand[j] = int(sim[j]) - with open(output_path / "ligand.npy", "wb") as f: - np.save(f, ligand) - - with Timer("project_predict"): - embeddings = predict(cfg, model_path, agg_input, batch_size=64) - - with open(output_path / "embeddings_model.npy", "wb") as f: - np.save(f, embeddings) - - -def project(cfg: OutlierDetectionConfig): - """Postproduction: compute t-SNE embeddings.""" - if cfg.project_gpu: - from cuml import TSNE - else: - from sklearn.manifold import TSNE - - with Timer("wait_for_input"): - adios_files_list = wait_for_input(cfg) - with Timer("wait_for_model"): - model_path = str(wait_for_model(cfg)) - print("model_path = ", model_path) - - lastN = cfg.project_lastN - - # Create output directories - dirs(cfg) - - with Timer("project_next"): - agg_input = read_lastN(adios_files_list, lastN) - - if cfg.compute_rmsd: - rmsds = agg_input["rmsd"] - with open(cfg.output_path / "rmsd.npy", "wb") as f: - np.save(f, rmsds) - - with Timer("project_predict"): - embeddings_cvae = predict(cfg, model_path, agg_input, batch_size=1024) - - with open(cfg.output_path / "embeddings_cvae.npy", "wb") as f: - np.save(f, embeddings_cvae) - - with Timer("project_TSNE_2D"): - tsne2 = TSNE(n_components=2) - tsne_embeddings2 = tsne2.fit_transform(embeddings_cvae) - - with open(cfg.output_path / "tsne_embeddings_2.npy", "wb") as f: - np.save(f, tsne_embeddings2) - - with Timer("project_TSNE_3D"): - tsne3 = TSNE(n_components=3) - tsne_embeddings3 = tsne3.fit_transform(embeddings_cvae) - - with open(cfg.output_path / "tsne_embeddings_3.npy", "wb") as f: - np.save(f, tsne_embeddings3) - - -def project_tsne_3D(cfg: OutlierDetectionConfig): - from sklearn.manifold import TSNE - - tsne3 = TSNE(n_components=3) - emb = [] - for i in range(10): - with open(cfg.output_path / f"embeddings_cvae_{i}.npy", "rb") as f: - emb.append(np.load(f)) - embeddings_cvae = np.concatenate(emb) - - with Timer("project_TSNE_3D"): - tsne_embeddings3 = tsne3.fit_transform(embeddings_cvae) - - with open(cfg.output_path / "tsne_embeddings_3.npy", "wb") as f: - np.save(f, tsne_embeddings3) - - -def project_tsne_2D(cfg: OutlierDetectionConfig): - from sklearn.manifold import TSNE - - tsne2 = TSNE(n_components=2) - emb = [] - rmsds = [] - embs = glob.glob(str(cfg.output_path) + "/embeddings_cvae_*.npy") - for i in range(len(embs)): - with open(cfg.output_path / f"embeddings_cvae_{i}.npy", "rb") as f: - emb.append(np.load(f)) - with open(cfg.output_path / f"rmsd_{i}.npy", "rb") as f: - rmsds.append(np.load(f)) - - embeddings_cvae = np.concatenate(emb) - RMSDS = np.concatenate(rmsds) - with open(cfg.output_path / "rmsds.npy", "wb") as f: - np.save(f, RMSDS) - - with Timer("project_TSNE_2D"): - tsne_embeddings2 = tsne2.fit_transform(embeddings_cvae) - - with open(cfg.output_path / "tsne_embeddings_2.npy", "wb") as f: - np.save(f, tsne_embeddings2) - - -def parse_args() -> argparse.Namespace: - parser = argparse.ArgumentParser() - parser.add_argument( - "-c", "--config", help="YAML config file", type=str, required=True - ) - parser.add_argument("-p", "--project", action="store_true", help="compute tsne") - parser.add_argument( - "-m", "--miniproject", action="store_true", help="compute embeddings only" - ) - parser.add_argument("-b", "--bp") - parser.add_argument( - "-T", - "--tsne_2D", - action="store_true", - help="compute 2D tsne, assuming embeddings are already computed", - ) - parser.add_argument( - "-t", - "--tsne_3D", - action="store_true", - help="compute 3D tsne, assuming embeddings are already computed", - ) - - args = parser.parse_args() - return args - - -if __name__ == "__main__": - args = parse_args() - cfg = OutlierDetectionConfig.from_yaml(args.config) - - if args.project: - project(cfg) - elif args.miniproject: - project_mini(cfg, args.bp) - elif args.tsne_3D: - project_tsne_3D(cfg) - elif args.tsne_2D: - project_tsne_2D(cfg) - else: - main(cfg) diff --git a/src/aggregation/basic/aggregate.py b/src/aggregation/basic/aggregate.py deleted file mode 100644 index 37230db..0000000 --- a/src/aggregation/basic/aggregate.py +++ /dev/null @@ -1,104 +0,0 @@ -from typing import TYPE_CHECKING, Dict, List - -if TYPE_CHECKING: - import numpy.typing as npt - -import h5py # type: ignore[import] -import numpy as np - -from deepdrivemd.aggregation.basic.config import BasicAggegation -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.utils import parse_args - - -def concatenate_last_n_h5(cfg: BasicAggegation) -> None: # noqa - - fields = [] - if cfg.rmsd: - fields.append("rmsd") - if cfg.fnc: - fields.append("fnc") - if cfg.contact_map: - fields.append("contact_map") - if cfg.point_cloud: - fields.append("point_cloud") - - # Get list of input h5 files - api = DeepDriveMD_API(cfg.experiment_directory) - md_data = api.get_last_n_md_runs(n=cfg.last_n_h5_files) - files = md_data["data_files"] - - if cfg.verbose: - print(f"Collected {len(files)} h5 files.") - - # Open output file - fout = h5py.File(cfg.output_path / "aggregate.h5", "w", libver="latest") - - # Initialize data buffers - data: Dict[str, List["npt.ArrayLike"]] = {x: [] for x in fields} - - for in_file in files: - - if cfg.verbose: - print("Reading", in_file) - - with h5py.File(in_file, "r") as fin: - for field in fields: - data[field].append(fin[field][...]) - - # Concatenate data - concat_data: Dict[str, "npt.ArrayLike"] = { - field: np.concatenate(data[field]) for field in data # type: ignore[no-untyped-call] - } - # for field in data: - # data[field] = np.concatenate(data[field]) # type: ignore[no-untyped-call] - - # Centor of mass (CMS) subtraction - if "point_cloud" in concat_data: - if cfg.verbose: - print("Subtract center of mass (CMS) from point cloud") - cms = np.mean( - concat_data["point_cloud"][:, 0:3, :].astype(np.float128), # type: ignore[call-overload, union-attr, index] - axis=2, - keepdims=True, - ).astype(np.float32) - concat_data["point_cloud"][:, 0:3, :] -= cms # type: ignore[call-overload, index] - - # Create new dsets from concatenated dataset - for field, concat_dset in concat_data.items(): - if field == "traj_file": - utf8_type = h5py.string_dtype("utf-8") - fout.create_dataset("traj_file", data=concat_dset, dtype=utf8_type) - continue - - shape = concat_dset.shape # type: ignore[union-attr] - chunkshape = (1,) + shape[1:] - # Create dataset - # Note: Aliases of built-in data types are now deprecated in Numpy: - # https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations - # Not sure where that leaves np.float128, np.int16, etc. - if concat_dset.dtype != object: # type: ignore[union-attr, attr-defined] - if np.any(np.isnan(concat_dset)): - raise ValueError("NaN detected in concat_dset.") - dset = fout.create_dataset( - field, - shape, - chunks=chunkshape, - dtype=concat_dset.dtype, # type: ignore[union-attr] - ) - else: - dset = fout.create_dataset( - field, shape, chunks=chunkshape, dtype=h5py.vlen_dtype(np.int16) - ) - # write data - dset[...] = concat_dset[...] # type: ignore[call-overload, index] - - # Clean up - fout.flush() - fout.close() - - -if __name__ == "__main__": - args = parse_args() - cfg = BasicAggegation.from_yaml(args.config) - concatenate_last_n_h5(cfg) diff --git a/src/aggregation/basic/config.py b/src/aggregation/basic/config.py deleted file mode 100644 index 87a3fb4..0000000 --- a/src/aggregation/basic/config.py +++ /dev/null @@ -1,16 +0,0 @@ -from typing import Optional - -from deepdrivemd.config import AggregationTaskConfig - - -class BasicAggegation(AggregationTaskConfig): - rmsd: bool = True - fnc: bool = False - contact_map: bool = False - point_cloud: bool = True - verbose: bool = True - last_n_h5_files: Optional[int] - - -if __name__ == "__main__": - BasicAggegation().dump_yaml("basic_aggregation_template.yaml") diff --git a/src/aggregation/stream/aggregator.py b/src/aggregation/stream/aggregator.py deleted file mode 100644 index 35402d5..0000000 --- a/src/aggregation/stream/aggregator.py +++ /dev/null @@ -1,229 +0,0 @@ -import itertools -import math -import os -import queue -import subprocess -import sys -import time -from pathlib import Path -from typing import Dict, List, Tuple - -import adios2 -import numpy as np - -from deepdrivemd.aggregation.stream.config import StreamAggregation -from deepdrivemd.data.stream.adios_utils import AdiosStreamStepRW -from deepdrivemd.data.stream.enumerations import DataStructure -from deepdrivemd.utils import Timer, intarray2hash, parse_args, timer - - -def find_input(cfg: StreamAggregation) -> List[str]: - """Find adios streams to which simulations write. - - Parameters - ---------- - cfg : StreamAggregation - - Returns - ------- - List[str] - a list of sst files associated with simulations - """ - while True: - bpfiles = list(map(str, list(cfg.experiment_directory.glob("*/*/*/md.bp*")))) - if len(bpfiles) == cfg.n_sim: - break - print("In find_input: waiting for input") - time.sleep(cfg.sleeptime_bpfiles) - - bpfiles.sort() - return bpfiles - - -def connect_to_input( - cfg: StreamAggregation, bpfiles: List[Path] -) -> Dict[int, Tuple[adios2.adios2.ADIOS, adios2.adios2.IO, adios2.adios2.Engine]]: - """Open adios streams for reading. - - Parameters - ---------- - cfg : StreamAggregation - bpfiles : List[Path] - - Returns - ------- - Dict[int, Tuple[adios2.adios2.ADIOS, adios2.adios2.IO, adios2.adios2.Engine]] - key - simulation task id, value - tuple of the corresponding adios objects. - - """ - connections = {} - bp_slice = math.ceil(cfg.n_sim / cfg.num_tasks) - print("bp_slice = ", bp_slice) - - for i, bp in enumerate(bpfiles): - bp = bp.replace(".sst", "") - sim_dir = os.path.dirname(bp) - task_md = os.path.basename(sim_dir) - taskid_md = int(task_md.replace("task", "")) - adios_md = sim_dir + "/adios.xml" - - print(f"taskid_md = {taskid_md}, i = {i}, {i*bp_slice}, {(i+1)*bp_slice}") - - if taskid_md // bp_slice == cfg.task_idx: - adios = adios2.ADIOS(adios_md, True) - io = adios.DeclareIO(task_md) - io.SetParameters({"ControlModule": "epoll"}) - stream = io.Open(bp, adios2.Mode.Read) - connections[taskid_md] = (adios, io, stream) - - return connections - - -def aggregate( - cfg: StreamAggregation, - connections: Dict[ - int, Tuple[adios2.adios2.ADIOS, adios2.adios2.IO, adios2.adios2.Engine] - ], - aggregator_stream: adios2.adios2.Engine, - aggregator_stream_4ml: adios2.adios2.Engine, -): - """Read adios streams from a subset of simulations handled by this - aggregator and write them to adios file to be used by machine learning and outlier search. - - Parameters - ---------- - cfg : StreamAggregation - connections : Dict[int, Tuple[adios2.adios2.ADIOS, adios2.adios2.IO, adios2.adios2.Engine]] - key - task id, value - a tuple of adios objects - aggregator_stream : adios2.adios2.Engine - an adios stream of aggregated file to write to. - - Note - ---- - If we do not need to save the data for postproduction, we can get rid of the aggregated - adios file and replace it by SST stream. - """ - - variablesR = { - "step": (np.int32, DataStructure.scalar), - "positions": (np.float32, DataStructure.array), - "velocities": (np.float32, DataStructure.array), - "md5": (np.int64, DataStructure.array), - } - - if cfg.model == "cvae": - variablesR["contact_map"] = (np.uint8, DataStructure.array) - elif cfg.model == "aae": - variablesR["point_cloud"] = (np.float32, DataStructure.array) - - variablesW = { - "step": (np.int32, DataStructure.scalar), - "positions": (np.float32, DataStructure.array), - "velocities": (np.float32, DataStructure.array), - "md5": (str, DataStructure.scalar), - } - - if cfg.model == "cvae": - variablesW["contact_map"] = (np.uint8, DataStructure.array) - elif cfg.model == "aae": - variablesW["point_cloud"] = (np.float32, DataStructure.array) - - if cfg.model == "cvae": - variablesW_4ml = { - "contact_map": (np.uint8, DataStructure.array), - } - elif cfg.model == "aae": - variablesW_4ml = { - "point_cloud": (np.float32, DataStructure.array), - } - - if cfg.compute_rmsd: - variablesR["rmsd"] = (np.float32, DataStructure.scalar) - variablesW["rmsd"] = (np.float32, DataStructure.scalar) - - if cfg.compute_zcentroid: - variablesR["zcentroid"] = (np.float32, DataStructure.scalar) - variablesW["zcentroid"] = (np.float32, DataStructure.scalar) - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - variablesR["ligand"] = (np.int32, DataStructure.scalar) - variablesR["natoms"] = (np.int32, DataStructure.scalar) - variablesW["ligand"] = (np.int32, DataStructure.scalar) - variablesW["natoms"] = (np.int32, DataStructure.scalar) - - print("In aggregate: variablesR = ", variablesR) - print("In aggregate: variablesW_4ml = ", variablesW_4ml) - print("In aggregate: variablesW = ", variablesW) - sys.stdout.flush() - - ARW = AdiosStreamStepRW(connections, variablesR) - - # infinite loop over simulation reporting steps - for iteration in itertools.count(0): - timer("aggregator_iteration", 1) - print("iteration = ", iteration) - - q = queue.Queue() - for s in connections.keys(): - q.put(s) - - # Read data from each simulation and write it to the aggregated adios file - # If the data is not ready yet, go to the next simulation and revisit the current one later - while not q.empty(): - sim_task_id = q.get() - - status = ARW.read_step(sim_task_id) - if status: - ARW.d_md5 = intarray2hash(ARW.d_md5) - ARW.write_step(aggregator_stream_4ml, variablesW_4ml, end_step=True) - ARW.write_step(aggregator_stream, variablesW, end_step=False) - aggregator_stream.write("dir", str(sim_task_id), end_step=True) - else: - print(f"NotReady in simulation {sim_task_id}") - q.put(sim_task_id) - continue - - timer("aggregator_iteration", -1) - - -if __name__ == "__main__": - print(subprocess.getstatusoutput("hostname")[1]) - sys.stdout.flush() - - args = parse_args() - cfg = StreamAggregation.from_yaml(args.config) - - print(cfg) - - with Timer("aggregator_find_adios_files"): - bpfiles = find_input(cfg) - print("bpfiles = ", bpfiles) - print("len(bpfiles) = ", len(bpfiles)) - - with Timer("aggregator_connect"): - connections = connect_to_input(cfg, bpfiles) - print("connections = ", connections) - print("len(connections) = ", len(connections)) - - bpaggregator = str(cfg.output_path / "agg.bp") - - aggregator_stream = adios2.open( - name=bpaggregator, - mode="w", - config_file=str(cfg.adios_xml_agg), - io_in_config_file="AggregatorOutput", - ) - - bpaggregator_4ml = str(cfg.output_path / "agg_4ml.bp") - aggregator_stream_4ml = adios2.open( - name=bpaggregator_4ml, - mode="w", - config_file=str(cfg.adios_xml_agg_4ml), - io_in_config_file="AggregatorOutput4ml", - ) - - aggregate(cfg, connections, aggregator_stream, aggregator_stream_4ml) - - # Currently there is an infinite loop in aggregate() and this statement should never be reached. - aggregator_stream.close() - aggregator_stream_4ml.close() diff --git a/src/aggregation/stream/config.py b/src/aggregation/stream/config.py deleted file mode 100644 index 4cbd497..0000000 --- a/src/aggregation/stream/config.py +++ /dev/null @@ -1,23 +0,0 @@ -from pathlib import Path - -from deepdrivemd.config import AggregationTaskConfig - - -class StreamAggregation(AggregationTaskConfig): - # number of simulations - n_sim: int = 12 - # if adios streams from simulations are not available, sleep for this number of seconds before trying to find them again - sleeptime_bpfiles: int = 30 - # number of aggregators - num_tasks: int = 2 - # path to adios xml configuration file for aggregator - adios_xml_agg: Path = Path() - # is rmsd used - compute_rmsd: bool = True - compute_zcentroid: bool = False - multi_ligand_table: Path = Path() - model: str = "cvae" - - -if __name__ == "__main__": - StreamAggregation().dump_yaml("stream_aggregation_template.yaml") diff --git a/src/config.py b/src/config.py deleted file mode 100644 index 67d366f..0000000 --- a/src/config.py +++ /dev/null @@ -1,283 +0,0 @@ -"""Schema of the YAML experiment file""" -import json -from pathlib import Path -from typing import List, Optional, Type, TypeVar - -import yaml -from pydantic import validator -from pydantic_settings import BaseSettings as _BaseSettings - -from deepdrivemd.utils import PathLike - -_T = TypeVar("_T") - - -class BaseSettings(_BaseSettings): - def dump_yaml(self, cfg_path: PathLike) -> None: - ''' - DeepDriveMD uses YAML files to configure each stage in the workflow - ''' - with open(cfg_path, mode="w") as fp: - yaml.dump(json.loads(self.json()), fp, indent=4, sort_keys=False) - - #def dump_json(self, cfg_path: PathLike) -> None: - # ''' - # Some components (e.g. DeePMD) use JSON files as input - # ''' - # with open(cfg_path, mode="w") as fp: - # json.dump(json.loads(self.json()), fp, indent=4, sort_keys=False) - - @classmethod - def from_yaml(cls: Type[_T], filename: PathLike) -> _T: - with open(filename) as fp: - raw_data = yaml.safe_load(fp) - return cls(**raw_data) # type: ignore[call-arg] - - #@classmethod - #def from_json(cls: Type[_T], filename: PathLike) -> _T: - # with open(filename) as fp: - # raw_data = json.load(fp) - # return cls(**raw_data) # type: ignore[call-arg] - - -class CPUReqs(BaseSettings): - """radical.entk task.cpu_reqs parameters.""" - - processes: int = 1 - process_type: Optional[str] - threads_per_process: int = 1 - thread_type: Optional[str] - - @validator("process_type") - def process_type_check(cls, v: Optional[str]) -> Optional[str]: - valid_process_types = {None, "MPI"} - if v not in valid_process_types: - raise ValueError(f"process_type must be one of {valid_process_types}") - return v - - @validator("thread_type") - def thread_type_check(cls, v: Optional[str]) -> Optional[str]: - thread_process_types = {None, "OpenMP"} - if v not in thread_process_types: - raise ValueError(f"thread_type must be one of {thread_process_types}") - return v - - -class GPUReqs(BaseSettings): - """radical.entk task.gpu_reqs parameters.""" - - processes: int = 0 - process_type: Optional[str] - threads_per_process: int = 0 - thread_type: Optional[str] - - @validator("process_type") - def process_type_check(cls, v: Optional[str]) -> Optional[str]: - valid_process_types = {None, "MPI"} - if v not in valid_process_types: - raise ValueError(f"process_type must be one of {valid_process_types}") - return v - - @validator("thread_type") - def thread_type_check(cls, v: Optional[str]) -> Optional[str]: - thread_process_types = {None, "OpenMP", "CUDA"} - if v not in thread_process_types: - raise ValueError(f"thread_type must be one of {thread_process_types}") - return v - - -class BaseTaskConfig(BaseSettings): - """Base configuration for all TaskConfig objects.""" - - class Config: - extra = "allow" - - # Path to experiment directory in order to access data API (set by DeepDriveMD) - experiment_directory: Path = Path("set_by_deepdrivemd") - # Unique stage index (set by DeepDriveMD) - stage_idx: int = 0 - # Unique task index (set by DeepDriveMD) - task_idx: int = 0 - # Output directory for model data (set by DeepDriveMD) - output_path: Path = Path("set_by_deepdrivemd") - # Node local storage path - node_local_path: Optional[Path] = Path("set_by_deepdrivemd") - - -class BaseStageConfig(BaseSettings): - """Base configuration for all StageConfig objects.""" - - pre_exec: List[str] = [] - executable: str = "" - arguments: List[str] = [] - cpu_reqs: CPUReqs = CPUReqs(process_type=None, thread_type=None) - gpu_reqs: GPUReqs = GPUReqs(process_type=None, thread_type=None) - - -class MolecularDynamicsTaskConfig(BaseTaskConfig): - """Auto-generates configuration file for MD tasks.""" - - # PDB file used to start MD run (set by DeepDriveMD) - pdb_file: Optional[Path] = Path("set_by_deepdrivemd") - # Initial data directory passed containing PDBs and optional topologies - initial_pdb_dir: Path - - -class MolecularDynamicsStageConfig(BaseStageConfig): - """Global MD configuration (written one per experiment).""" - - num_tasks: int = 1 - # Arbitrary task parameters - task_config: MolecularDynamicsTaskConfig - - -class AggregationTaskConfig(BaseTaskConfig): - """Base class for specific aggregation configs to inherit.""" - - -class AggregationStageConfig(BaseStageConfig): - """Global aggregation configuration (written one per experiment).""" - - # Whether or not to skip aggregation stage - skip_aggregation: bool = False - # Arbitrary task parameters - task_config: AggregationTaskConfig - - -class StreamingAggregationStageConfig(AggregationStageConfig): - num_tasks: int = 1 - - -class MachineLearningTaskConfig(BaseTaskConfig): - """Base class for specific model configs to inherit.""" - - # Model ID for file naming (set by DeepDriveMD) - model_tag: str = "set_by_deepdrivemd" - # Model checkpoint file to load initial model weights from. - init_weights_path: Optional[Path] = None - - -class DeePMDTaskConfig(BaseTaskConfig): - """Base class for specific model configs to inherit.""" - - # Dictionary with DeePMD setting - deepmd: dict = {} - -class MachineLearningStageConfig(BaseStageConfig): - """Global ML configuration (written one per experiment).""" - - # Retrain every i deepdrivemd iterations - retrain_freq: int = 1 - # Arbitrary task parameters - task_config: MachineLearningTaskConfig - - -class StreamingMachineLearningStageConfig(MachineLearningStageConfig): - num_tasks: int = 1 - - -class ModelSelectionTaskConfig(BaseTaskConfig): - """Base class for specific model selection configs to inherit.""" - - -class ModelSelectionStageConfig(BaseStageConfig): - """Global ML configuration (written one per experiment).""" - - # Arbitrary task parameters - task_config: ModelSelectionTaskConfig - - -class AgentTaskConfig(BaseTaskConfig): - """Base class for specific agent configs to inherit.""" - - -class AgentStageConfig(BaseStageConfig): - """Global agent configuration (written one per experiment).""" - - # Arbitrary job parameters - task_config: AgentTaskConfig - - -class StreamingAgentStageConfig(AgentStageConfig): - num_tasks: int = 1 - - -class ExperimentConfig(BaseSettings): - """Main configuration.""" - - title: str - resource: str - queue: str - schema_: str - project: str - walltime_min: int - max_iteration: int - cpus_per_node: int - gpus_per_node: int - hardware_threads_per_cpu: int - experiment_directory: Path - node_local_path: Optional[Path] - molecular_dynamics_stage: MolecularDynamicsStageConfig - aggregation_stage: AggregationStageConfig - machine_learning_stage: MachineLearningStageConfig - model_selection_stage: ModelSelectionStageConfig - agent_stage: AgentStageConfig - - @validator("experiment_directory") - def experiment_directory_cannot_exist(cls, v: Path) -> Path: - if v.exists(): - raise FileNotFoundError(f"experiment_directory already exists! {v}") - if not v.is_absolute(): - raise ValueError(f"experiment_directory must be an absolute path! Not {v}") - return v - - -class StreamingExperimentConfig(ExperimentConfig): - adios_xml_sim: Path - adios_xml_agg: Path - adios_xml_agg_4ml: Path - adios_xml_file: Path - config_directory: Path - software_directory: Path - init_pdb_file: Path - top_file1: Optional[Path] - ref_pdb_file: Optional[Path] - multi_ligand_table: Optional[Path] - model_selection_stage: Optional[ModelSelectionStageConfig] - aggregation_stage: StreamingAggregationStageConfig - machine_learning_stage: StreamingMachineLearningStageConfig - agent_stage: StreamingAgentStageConfig - model: str - - -def generate_sample_config() -> ExperimentConfig: - return ExperimentConfig( - title="COVID-19 - Workflow2", - resource="ornl.summit", - queue="batch", - schema_="local", - project="MED110", - walltime_min=360, - cpus_per_node=42, - hardware_threads_per_cpu=4, - gpus_per_node=6, - max_iteration=4, - experiment_directory="/path/to/experiment", - node_local_path=None, - molecular_dynamics_stage=MolecularDynamicsStageConfig( - task_config=MolecularDynamicsTaskConfig(initial_pdb_dir=Path().resolve()) - ), - aggregation_stage=AggregationStageConfig(task_config=AggregationTaskConfig()), - machine_learning_stage=MachineLearningStageConfig( - task_config=MachineLearningTaskConfig() - ), - model_selection_stage=ModelSelectionStageConfig( - task_config=ModelSelectionTaskConfig() - ), - agent_stage=AgentStageConfig(task_config=AgentTaskConfig()), - ) - - -if __name__ == "__main__": - config = generate_sample_config() - config.dump_yaml("deepdrivemd_template.yaml") diff --git a/src/cscope.out b/src/cscope.out deleted file mode 100644 index 324ae89..0000000 --- a/src/cscope.out +++ /dev/null @@ -1,4233 +0,0 @@ -cscope 15 /Users/ozgurkilic/Projects/CANDLE/DeepDriveMD-pipeline/deepdrivemd -c 0000026725 - @./config.py - - - @./deepdrivemd_stream.py - -1 import - ~math - -2 import - ~os - -3 import - ~shutil - -4 from - ~pathlib - import -Path - -5 from - ~typing - import -List - -7 import - ~radical.utils - as -ru - -8 from - ~radical.entk - import -AppManager - , -Pipeline - , -Stage - , -Task - -10 from - ~deepdrivemd.config - import -BaseStageConfig - , -StreamingExperimentConfig - -11 from - ~deepdrivemd.data.api - import -DeepDriveMD_API - -12 from - ~deepdrivemd.utils - import -parse_args - -15 def - $generate_task - ( -cfg - : -BaseStageConfig - ) -> -Task - : - -16 -task - = -Task - ( ) - -17 -task - . -cpu_reqs - = -cfg - . -cpu_reqs - . -dict - ( ) . -copy - ( ) - -18 -task - . -gpu_reqs - = -cfg - . -gpu_reqs - . -dict - ( ) . -copy - ( ) - -19 -task - . -pre_exec - = -cfg - . -pre_exec - . -copy - ( ) - -20 -task - . -executable - = -cfg - . -executable - -21 -task - . -arguments - = -cfg - . -arguments - . -copy - ( ) - -22 return -task - - } - -25 class - cPipelineManager - : - -26 -MOLECULAR_DYNAMICS_STAGE_NAME - = "MolecularDynamics" - -27 -AGGREGATION_STAGE_NAME - = "Aggregating" - -28 -MACHINE_LEARNING_STAGE_NAME - = "MachineLearning" - -29 -AGENT_STAGE_NAME - = "Agent" - -31 -MOLECULAR_DYNAMICS_PIPELINE_NAME - = "MolecularDynamicsPipeline" - -32 -AGGREGATION_PIPELINE_NAME - = "AggregatingPipeline" - -33 -MACHINE_LEARNING_PIPELINE_NAME - = "MachineLearningPipeline" - -34 -AGENT_PIPELINE_NAME - = "AgentPipeline" - -36 def - $__init__ - ( -self - , -cfg - : -StreamingExperimentConfig - ) : - -37 -self - . -cfg - = -cfg - -38 -self - . -stage_idx - = 0 - -39 -self - . -api - = -DeepDriveMD_API - ( -cfg - . -experiment_directory - ) - -41 -self - . -pipelines - = { } - -43 -p_md - = -Pipeline - ( ) - -44 -p_md - . -name - = -self - . -MOLECULAR_DYNAMICS_PIPELINE_NAME - -46 -self - . -pipelines - [ -p_md - . -name - ] = -p_md - -48 -p_aggregate - = -Pipeline - ( ) - -49 -p_aggregate - . -name - = -self - . -AGGREGATION_PIPELINE_NAME - -51 -self - . -pipelines - [ -p_aggregate - . -name - ] = -p_aggregate - -53 -p_ml - = -Pipeline - ( ) - -54 -p_ml - . -name - = -self - . -MACHINE_LEARNING_PIPELINE_NAME - -55 -self - . -pipelines - [ -p_ml - . -name - ] = -p_ml - -57 -p_outliers - = -Pipeline - ( ) - -58 -p_outliers - . -name - = -self - . -AGENT_PIPELINE_NAME - -59 -self - . -pipelines - [ -p_outliers - . -name - ] = -p_outliers - -61 -self - . -_init_experiment_dir - ( ) - } - -63 def - $_init_experiment_dir - ( -self - ) : - -65 -self - . -cfg - . -experiment_directory - . -mkdir - ( ) - -66 -self - . -api - . -molecular_dynamics_stage - . -runs_dir - . -mkdir - ( ) - -67 -self - . -api - . -aggregation_stage - . -runs_dir - . -mkdir - ( ) - -68 -self - . -api - . -machine_learning_stage - . -runs_dir - . -mkdir - ( ) - -69 -self - . -api - . -agent_stage - . -runs_dir - . -mkdir - ( ) - } - -71 def - $_generate_pipeline_iteration - ( -self - ) : - -73 -self - . -pipelines - [ -self - . -MOLECULAR_DYNAMICS_PIPELINE_NAME - ] . -add_stages - ( - -74 -self - . -generate_molecular_dynamics_stage - ( ) - -76 -self - . -pipelines - [ -self - . -AGGREGATION_PIPELINE_NAME - ] . -add_stages - ( - -77 -self - . -generate_aggregating_stage - ( ) - -79 -self - . -pipelines - [ -self - . -MACHINE_LEARNING_PIPELINE_NAME - ] . -add_stages - ( - -80 -self - . -generate_machine_learning_stage - ( ) - -82 -self - . -pipelines - [ -self - . -AGENT_PIPELINE_NAME - ] . -add_stages - ( -self - . -generate_agent_stage - ( ) ) - -84 -self - . -stage_idx - += 1 - } - -86 def - $generate_pipelines - ( -self - ) -> -List - [ -Pipeline - ] : - -87 -self - . -_generate_pipeline_iteration - ( ) - -88 return -list - ( -self - . -pipelines - . -values - ( ) ) - } - -90 def - $generate_molecular_dynamics_stage - ( -self - ) -> -Stage - : - -91 -stage - = -Stage - ( ) - -92 -stage - . -name - = -self - . -MOLECULAR_DYNAMICS_STAGE_NAME - -93 -cfg - = -self - . -cfg - . -molecular_dynamics_stage - -94 -stage_api - = -self - . -api - . -molecular_dynamics_stage - -96 for -task_idx - in -range - ( -cfg - . -num_tasks - ) : - -98 -output_path - = -stage_api - . -task_dir - ( -self - . -stage_idx - , -task_idx - , -mkdir - = True ) - -99 assert -output_path - is not None - -102 -cfg - . -task_config - . -experiment_directory - = -self - . -cfg - . -experiment_directory - -103 -cfg - . -task_config - . -stage_idx - = -self - . -stage_idx - -104 -cfg - . -task_config - . -task_idx - = -task_idx - -105 -cfg - . -task_config - . -node_local_path - = -self - . -cfg - . -node_local_path - -106 -cfg - . -task_config - . -output_path - = -output_path - -108 -cfg_path - = -stage_api - . -config_path - ( -self - . -stage_idx - , -task_idx - ) - -109 -cfg - . -task_config - . -dump_yaml - ( -cfg_path - ) - -110 -task - = -generate_task - ( -cfg - ) - -111 -task - . -arguments - += [ "-c" , -cfg_path - . -as_posix - ( ) ] - -112 -stage - . -add_tasks - ( -task - ) - -114 return -stage - - } - -116 def - $generate_aggregating_stage - ( -self - ) -> -Stage - : - -117 -stage - = -Stage - ( ) - -118 -stage - . -name - = -self - . -AGGREGATION_STAGE_NAME - -119 -cfg - = -self - . -cfg - . -aggregation_stage - -120 -stage_api - = -self - . -api - . -aggregation_stage - -122 for -task_idx - in -range - ( -cfg - . -num_tasks - ) : - -123 -output_path - = -stage_api - . -task_dir - ( -self - . -stage_idx - , -task_idx - , -mkdir - = True ) - -124 assert -output_path - is not None - -127 -cfg - . -task_config - . -experiment_directory - = -self - . -cfg - . -experiment_directory - -128 -cfg - . -task_config - . -stage_idx - = -self - . -stage_idx - -129 -cfg - . -task_config - . -task_idx - = -task_idx - -130 -cfg - . -task_config - . -node_local_path - = -self - . -cfg - . -node_local_path - -131 -cfg - . -task_config - . -output_path - = -output_path - -134 -cfg_path - = -stage_api - . -config_path - ( -self - . -stage_idx - , -task_idx - ) - -135 -cfg - . -task_config - . -dump_yaml - ( -cfg_path - ) - -136 -task - = -generate_task - ( -cfg - ) - -137 -task - . -arguments - += [ "-c" , -cfg_path - . -as_posix - ( ) ] - -138 -stage - . -add_tasks - ( -task - ) - -140 return -stage - - } - -142 def - $generate_machine_learning_stage - ( -self - ) -> -Stage - : - -143 -stage - = -Stage - ( ) - -144 -stage - . -name - = -self - . -MACHINE_LEARNING_STAGE_NAME - -145 -cfg - = -self - . -cfg - . -machine_learning_stage - -146 -stage_api - = -self - . -api - . -machine_learning_stage - -148 -task_idx - = 0 - -149 -output_path - = -stage_api - . -task_dir - ( -self - . -stage_idx - , -task_idx - , -mkdir - = True ) - -150 assert -output_path - is not None - -153 -cfg - . -task_config - . -experiment_directory - = -self - . -cfg - . -experiment_directory - -154 -cfg - . -task_config - . -stage_idx - = -self - . -stage_idx - -155 -cfg - . -task_config - . -task_idx - = -task_idx - -156 -cfg - . -task_config - . -node_local_path - = -self - . -cfg - . -node_local_path - -157 -cfg - . -task_config - . -output_path - = -output_path - -158 -cfg - . -task_config - . -model_tag - = -stage_api - . -unique_name - ( -output_path - ) - -159 if -self - . -stage_idx - > 0 : - -161 -cfg - . -task_config - . -init_weights_path - = None - -164 -cfg_path - = -stage_api - . -config_path - ( -self - . -stage_idx - , -task_idx - ) - -165 -cfg - . -task_config - . -dump_yaml - ( -cfg_path - ) - -166 -task - = -generate_task - ( -cfg - ) - -167 -task - . -arguments - += [ "-c" , -cfg_path - . -as_posix - ( ) ] - -168 -stage - . -add_tasks - ( -task - ) - -170 return -stage - - } - -172 def - $generate_agent_stage - ( -self - ) -> -Stage - : - -173 -stage - = -Stage - ( ) - -174 -stage - . -name - = -self - . -AGENT_STAGE_NAME - -175 -cfg - = -self - . -cfg - . -agent_stage - -176 -stage_api - = -self - . -api - . -agent_stage - -178 -task_idx - = 0 - -179 -output_path - = -stage_api - . -task_dir - ( -self - . -stage_idx - , -task_idx - , -mkdir - = True ) - -180 assert -output_path - is not None - -183 -cfg - . -task_config - . -experiment_directory - = -self - . -cfg - . -experiment_directory - -184 -cfg - . -task_config - . -stage_idx - = -self - . -stage_idx - -185 -cfg - . -task_config - . -task_idx - = -task_idx - -186 -cfg - . -task_config - . -node_local_path - = -self - . -cfg - . -node_local_path - -187 -cfg - . -task_config - . -output_path - = -output_path - -190 -cfg_path - = -stage_api - . -config_path - ( -self - . -stage_idx - , -task_idx - ) - -191 -cfg - . -task_config - . -dump_yaml - ( -cfg_path - ) - -192 -task - = -generate_task - ( -cfg - ) - -193 -task - . -arguments - += [ "-c" , -cfg_path - . -as_posix - ( ) ] - -194 -stage - . -add_tasks - ( -task - ) - -196 return -stage - - } - -199 def - $compute_number_of_nodes - ( -cfg - : -StreamingExperimentConfig - ) -> -int - : - -200 -nodes - = 0 - -202 for -stage - in ( - -203 -cfg - . -molecular_dynamics_stage - , - -204 -cfg - . -aggregation_stage - , - -205 -cfg - . -machine_learning_stage - , - -206 -cfg - . -agent_stage - , - -208 -nodes_cpu - = ( - -209 -stage - . -cpu_reqs - . -processes - -210 * -stage - . -cpu_reqs - . -threads_per_process - -211 * -stage - . -num_tasks - -212 ) / ( -cfg - . -cpus_per_node - * -cfg - . -hardware_threads_per_cpu - ) - -213 -nodes_gpu - = ( - -214 -stage - . -gpu_reqs - . -processes - -215 * -stage - . -gpu_reqs - . -threads_per_process - -216 * -stage - . -num_tasks - -217 ) / -cfg - . -gpus_per_node - -218 -nodes - += -max - ( -nodes_cpu - , -nodes_gpu - ) - -219 return -int - ( -math - . -ceil - ( -nodes - ) ) - } - -222 if -__name__ - == "__main__" : - -224 -args - = -parse_args - ( ) - -225 -cfg - = -StreamingExperimentConfig - . -from_yaml - ( -args - . -config - ) - -226 -cfg - . -config_directory - = -os - . -path - . -dirname - ( -os - . -path - . -abspath - ( -args - . -config - ) ) - -227 -print - ( "config_directory = " , -cfg - . -config_directory - ) - -228 -print - ( "experiment directory = " , -cfg - . -experiment_directory - ) - -230 -cfg - . -adios_xml_sim - = -Path - ( -cfg - . -config_directory - ) / "adios_sim.xml" - -231 -cfg - . -adios_xml_agg - = -Path - ( -cfg - . -config_directory - ) / "adios_agg.xml" - -232 -cfg - . -adios_xml_agg_4ml - = -Path - ( -cfg - . -config_directory - ) / "adios_agg_4ml.xml" - -233 -cfg - . -adios_xml_file - = -Path - ( -cfg - . -config_directory - ) / "adios_file.xml" - -235 -cfg - . -agent_stage - . -task_config - . -adios_xml_agg - = -cfg - . -adios_xml_agg - -236 -cfg - . -aggregation_stage - . -task_config - . -adios_xml_agg - = -cfg - . -adios_xml_agg - -237 -cfg - . -aggregation_stage - . -task_config - . -adios_xml_agg_4ml - = -cfg - . -adios_xml_agg_4ml - -238 -cfg - . -machine_learning_stage - . -task_config - . -adios_xml_agg - = -cfg - . -adios_xml_agg - -239 -cfg - . -machine_learning_stage - . -task_config - . -adios_xml_agg_4ml - = -cfg - . -adios_xml_agg_4ml - -240 -cfg - . -molecular_dynamics_stage - . -task_config - . -adios_xml_sim - = -cfg - . -adios_xml_sim - -241 -cfg - . -molecular_dynamics_stage - . -task_config - . -adios_xml_file - = -cfg - . -adios_xml_file - -243 -reporter - = -ru - . -Reporter - ( -name - = "radical.entk" ) - -244 -reporter - . -title - ( -cfg - . -title - ) - -248 -appman - = -AppManager - ( - -249 -hostname - = -os - . -environ - [ "RMQ_HOSTNAME" ] , - -250 -port - = -int - ( -os - . -environ - [ "RMQ_PORT" ] ) , - -251 -username - = -os - . -environ - [ "RMQ_USERNAME" ] , - -252 -password - = -os - . -environ - [ "RMQ_PASSWORD" ] , - -254 except -KeyError - : - -255 raise -ValueError - ( "Invalid RMQ environment. Please see README.md for configuring environment." - -259 -num_nodes - = -compute_number_of_nodes - ( -cfg - ) - -261 -print - ( f"Required number of nodes: {num_nodes}" ) - -263 -appman - . -resource_desc - = { "resource" - -264 : -cfg - . -resource - , "queue" - -265 : -cfg - . -queue - , "access_schema" - -266 : -cfg - . -schema_ - , "walltime" - -267 : -cfg - . -walltime_min - , "project" - -268 : -cfg - . -project - , "cpus" - -269 : -cfg - . -cpus_per_node - * -cfg - . -hardware_threads_per_cpu - * -num_nodes - , "gpus" - -270 : -cfg - . -gpus_per_node - * -num_nodes - , - -273 -pipeline_manager - = -PipelineManager - ( -cfg - ) - -275 -shutil - . -copytree - ( -cfg - . -config_directory - , -cfg - . -experiment_directory - / "etc" ) - -277 -pipelines - = -pipeline_manager - . -generate_pipelines - ( ) - -280 -appman - . -workflow - = -pipelines - -283 -appman - . -run - ( ) - - - @./NWchem_T1.py - - - @./__init__.py - -1 -__version__ - = "0.0.2" - - - @./utils.py - -1 import - ~argparse - -2 import - ~math - -3 import - ~sys - -4 import - ~time - -5 from - ~inspect - import -Traceback - , -currentframe - , -getframeinfo - -6 from - ~pathlib - import -Path - -7 from - ~types - import -TracebackType - -8 from - ~typing - import -TYPE_CHECKING - , -Any - , -Optional - , -Tuple - , -Type - , -Union - -10 import - ~numpy - as -np - -12 if -TYPE_CHECKING - : - -13 import - ~numpy.typing - as -npt - -15 -PathLike - = -Union - [ -str - , -Path - ] - -18 def - $setup_mpi_comm - ( -distributed - : -bool - ) -> -Optional - [ -Any - ] : - -19 if -distributed - : - -21 from - ~mpi4py - import -MPI - -23 return -MPI - . -COMM_WORLD - . -Dup - ( ) - -24 return None - } - -27 def - $setup_mpi - ( -comm - : -Optional - [ -Any - ] = None ) -> -Tuple - [ -int - , -int - ] : - -28 -comm_size - = 1 - -29 -comm_rank - = 0 - -30 if -comm - is not None : - -31 -comm_size - = -comm - . -Get_size - ( ) - -32 -comm_rank - = -comm - . -Get_rank - ( ) - -34 return -comm_size - , -comm_rank - - } - -37 def - $get_frameinfo - ( ) -> -Traceback - : - -38 -frame - = -currentframe - ( ) - -39 if -frame - is not None : - -40 -f_back - = -frame - . -f_back - -41 if -f_back - is not None : - -42 -frameinfo - = -getframeinfo - ( -f_back - ) - -43 assert -frameinfo - is not None - -44 return -frameinfo - - } - -47 def - $timer - ( -label - : -str - , -start - : -int - = 1 , -frameinfo - : -Optional - [ -Traceback - ] = None ) -> None : - -49 -t - = -time - . -localtime - ( ) - -50 -gps - = -time - . -mktime - ( -t - ) - -51 -readable - = -time - . -asctime - ( -t - ) - -52 if -frameinfo - is None : - -53 -frameinfo - = -get_frameinfo - ( ) - -54 -fractions - = -time - . -perf_counter - ( ) - -55 -print - ( f"TLaBeL|{label}|{start}|{gps}|{readable}|{frameinfo.filename}|{frameinfo.lineno}|{fractions}" - -58 -sys - . -stdout - . -flush - ( ) - } - -61 class - cTimer - : - -62 def - $__init__ - ( -self - , -label - : -str - ) : - -63 -self - . -label - = -label - - } - -65 def - $__enter__ - ( -self - ) -> "Timer" : - -66 -frameinfo - = -get_frameinfo - ( ) - -67 -timer - ( -self - . -label - , 1 , -frameinfo - ) - -68 return -self - - } - -70 def - $__exit__ - ( - -71 -self - , - -72 -type - : -Optional - [ -Type - [ -BaseException - ] ] , - -73 -value - : -Optional - [ -BaseException - ] , - -74 -traceback - : -Optional - [ -TracebackType - ] , - -76 -frameinfo - = -get_frameinfo - ( ) - -77 -timer - ( -self - . -label - , - 1 , -frameinfo - ) - } - -80 def - $bestk - ( - -81 -a - : "npt.ArrayLike" , -k - : -int - , -smallest - : -bool - = True - -82 ) -> -Tuple - [ "npt.ArrayLike" , "npt.ArrayLike" ] : - -103 -_a - = -np - . -array - ( -a - ) - -106 -arr - = -_a - if -smallest - else - 1 * -_a - -111 -best_inds - = -np - . -argpartition - ( -arr - , -k - ) [ : -k - ] - -113 -best_values - = -arr - [ -best_inds - ] - -115 -sort_inds - = -np - . -argsort - ( -best_values - ) - -116 return -best_values - [ -sort_inds - ] , -best_inds - [ -sort_inds - ] - } - -119 def - $t2Dto1D - ( -A - ) : - -120 -n - , -m - = -A - . -shape - -121 -B - = -np - . -zeros - ( -int - ( -n - * ( -n - - 1 ) / 2 ) , -dtype - = -np - . -uint8 - ) - -122 -k - = 0 - -123 for -i - in -range - ( -n - ) : - -124 for -j - in -range - ( -i - + 1 , -n - ) : - -125 -B - [ -k - ] = -A - [ -i - , -j - ] - -126 -k - += 1 - -127 return -B - - } - -130 def - $t1Dto2D - ( -B - ) : - -131 -m - = -B - . -shape - [ 0 ] - -132 -n - = -int - ( ( 1 + -math - . -sqrt - ( 1 + 8 * -m - ) ) / 2 ) - -133 -A - = -np - . -ones - ( ( -n - , -n - ) , -dtype - = -np - . -uint8 - ) - -134 -k - = 0 - -135 for -i - in -range - ( -n - ) : - -136 for -j - in -range - ( -i - + 1 , -n - ) : - -137 -A - [ -i - , -j - ] = -B - [ -k - ] - -138 -A - [ -j - , -i - ] = -B - [ -k - ] - -139 -k - += 1 - -140 return -A - - } - -143 def - $parse_args - ( ) -> -argparse - . -Namespace - : - -144 -parser - = -argparse - . -ArgumentParser - ( ) - -145 -parser - . -add_argument - ( "-c" - -146 , "--config" , -help - = "YAML config file" , -type - = -str - , -required - = True - -148 -args - = -parser - . -parse_args - ( ) - -149 return -args - - } - -152 def - $hash2intarray - ( -h - ) : - -153 -b - = [ -int - ( -h - [ 4 * -i - : 4 * ( -i - + 1 ) ] , 16 ) for -i - in -range - ( -len - ( -h - ) // 4 ) ] - -154 return -np - . -asarray - ( -b - , -dtype - = -np - . -int64 - ) - } - -157 def - $intarray2hash - ( -ia - ) : - -158 -c - = -list - ( -map - ( lambda -x - : "{0:#0{1}x}" . -format - ( -x - , 6 ) . -replace - ( "0x" , "" ) , -ia - ) ) - -159 return "" . -join - ( -c - ) - } - - - @./NWchem_Adapt.py - - - @./NWchem_sync.py - - - @./deepdrivemd.py - -1 import - ~itertools - -2 import - ~os - -3 import - ~shutil - -4 from - ~pathlib - import -Path - -5 from - ~typing - import -List - , -Optional - -7 import - ~radical.utils - as -ru - -8 from - ~radical.entk - import -AppManager - , -Pipeline - , -Stage - , -Task - -10 from - ~deepdrivemd.config - import -BaseStageConfig - , -ExperimentConfig - -11 from - ~deepdrivemd.data.api - import -DeepDriveMD_API - -12 from - ~deepdrivemd.utils - import -parse_args - -15 def - $generate_task - ( -cfg - : -BaseStageConfig - ) -> -Task - : - -16 -task - = -Task - ( ) - -17 -task - . -cpu_reqs - = -cfg - . -cpu_reqs - . -dict - ( ) . -copy - ( ) - -18 -task - . -gpu_reqs - = -cfg - . -gpu_reqs - . -dict - ( ) . -copy - ( ) - -19 -task - . -pre_exec - = -cfg - . -pre_exec - . -copy - ( ) - -20 -task - . -executable - = -cfg - . -executable - -21 -task - . -arguments - = -cfg - . -arguments - . -copy - ( ) - -22 return -task - - } - -25 class - cPipelineManager - : - -27 -PIPELINE_NAME - = "DeepDriveMD" - -28 -MOLECULAR_DYNAMICS_STAGE_NAME - = "MolecularDynamics" - -29 -AGGREGATION_STAGE_NAME - = "Aggregating" - -30 -MACHINE_LEARNING_STAGE_NAME - = "MachineLearning" - -31 -MODEL_SELECTION_STAGE_NAME - = "ModelSelection" - -32 -AGENT_STAGE_NAME - = "Agent" - -34 def - $__init__ - ( -self - , -cfg - : -ExperimentConfig - ) : - -35 -self - . -cfg - = -cfg - -36 -self - . -stage_idx - = 0 - -38 -self - . -api - = -DeepDriveMD_API - ( -cfg - . -experiment_directory - ) - -39 -self - . -pipeline - = -Pipeline - ( ) - -40 -self - . -pipeline - . -name - = -self - . -PIPELINE_NAME - -42 -self - . -_init_experiment_dir - ( ) - } - -44 def - $_init_experiment_dir - ( -self - ) -> None : - -46 -self - . -cfg - . -experiment_directory - . -mkdir - ( ) - -47 -self - . -api - . -molecular_dynamics_stage - . -runs_dir - . -mkdir - ( ) - -48 -self - . -api - . -aggregation_stage - . -runs_dir - . -mkdir - ( ) - -49 -self - . -api - . -machine_learning_stage - . -runs_dir - . -mkdir - ( ) - -50 -self - . -api - . -model_selection_stage - . -runs_dir - . -mkdir - ( ) - -51 -self - . -api - . -agent_stage - . -runs_dir - . -mkdir - ( ) - } - -53 def - $func_condition - ( -self - ) -> None : - -54 if -self - . -stage_idx - < -self - . -cfg - . -max_iteration - : - -55 -self - . -func_on_true - ( ) - -57 -self - . -func_on_false - ( ) - } - -59 def - $func_on_true - ( -self - ) -> None : - -60 -print - ( f"Finishing stage {self.stage_idx} of {self.cfg.max_iteration}" ) - -61 -self - . -_generate_pipeline_iteration - ( ) - } - -63 def - $func_on_false - ( -self - ) -> None : - -64 -print - ( "Done" ) - } - -66 def - $_generate_pipeline_iteration - ( -self - ) -> None : - -68 -self - . -pipeline - . -add_stages - ( -self - . -generate_molecular_dynamics_stage - ( ) ) - -70 if not -cfg - . -aggregation_stage - . -skip_aggregation - : - -71 -self - . -pipeline - . -add_stages - ( -self - . -generate_aggregating_stage - ( ) ) - -73 if -self - . -stage_idx - % -cfg - . -machine_learning_stage - . -retrain_freq - == 0 : - -74 -self - . -pipeline - . -add_stages - ( -self - . -generate_machine_learning_stage - ( ) ) - -75 -self - . -pipeline - . -add_stages - ( -self - . -generate_model_selection_stage - ( ) ) - -77 -agent_stage - = -self - . -generate_agent_stage - ( ) - -78 -agent_stage - . -post_exec - = -self - . -func_condition - -79 -self - . -pipeline - . -add_stages - ( -agent_stage - ) - -81 -self - . -stage_idx - += 1 - } - -83 def - $generate_pipelines - ( -self - ) -> -List - [ -Pipeline - ] : - -84 -self - . -_generate_pipeline_iteration - ( ) - -85 return [ -self - . -pipeline - ] - } - -87 def - $generate_molecular_dynamics_stage - ( -self - ) -> -Stage - : - -88 -stage - = -Stage - ( ) - -89 -stage - . -name - = -self - . -MOLECULAR_DYNAMICS_STAGE_NAME - -90 -cfg - = -self - . -cfg - . -molecular_dynamics_stage - -91 -stage_api - = -self - . -api - . -molecular_dynamics_stage - -93 if -self - . -stage_idx - == 0 : - -94 -initial_pdbs - = -self - . -api - . -get_initial_pdbs - ( -cfg - . -task_config - . -initial_pdb_dir - ) - -95 -filenames - : -Optional - [ -itertools - . -cycle - [ -Path - ] ] = -itertools - . -cycle - ( -initial_pdbs - ) - -97 -filenames - = None - -99 for -task_idx - in -range - ( -cfg - . -num_tasks - ) : - -101 -output_path - = -stage_api - . -task_dir - ( -self - . -stage_idx - , -task_idx - , -mkdir - = True ) - -102 assert -output_path - is not None - -105 -cfg - . -task_config - . -experiment_directory - = -self - . -cfg - . -experiment_directory - -106 -cfg - . -task_config - . -stage_idx - = -self - . -stage_idx - -107 -cfg - . -task_config - . -task_idx - = -task_idx - -108 -cfg - . -task_config - . -node_local_path - = -self - . -cfg - . -node_local_path - -109 -cfg - . -task_config - . -output_path - = -output_path - -110 if -self - . -stage_idx - == 0 : - -111 assert -filenames - is not None - -112 -cfg - . -task_config - . -pdb_file - = -next - ( -filenames - ) - -114 -cfg - . -task_config - . -pdb_file - = None - -116 -cfg_path - = -stage_api - . -config_path - ( -self - . -stage_idx - , -task_idx - ) - -117 assert -cfg_path - is not None - -118 -cfg - . -task_config - . -dump_yaml - ( -cfg_path - ) - -119 -task - = -generate_task - ( -cfg - ) - -120 -task - . -arguments - += [ "-c" , -cfg_path - . -as_posix - ( ) ] - -121 -stage - . -add_tasks - ( -task - ) - -123 return -stage - - } - -125 def - $generate_aggregating_stage - ( -self - ) -> -Stage - : - -126 -stage - = -Stage - ( ) - -127 -stage - . -name - = -self - . -AGGREGATION_STAGE_NAME - -128 -cfg - = -self - . -cfg - . -aggregation_stage - -129 -stage_api - = -self - . -api - . -aggregation_stage - -131 -task_idx - = 0 - -132 -output_path - = -stage_api - . -task_dir - ( -self - . -stage_idx - , -task_idx - , -mkdir - = True ) - -133 assert -output_path - is not None - -136 -cfg - . -task_config - . -experiment_directory - = -self - . -cfg - . -experiment_directory - -137 -cfg - . -task_config - . -stage_idx - = -self - . -stage_idx - -138 -cfg - . -task_config - . -task_idx - = -task_idx - -139 -cfg - . -task_config - . -node_local_path - = -self - . -cfg - . -node_local_path - -140 -cfg - . -task_config - . -output_path - = -output_path - -143 -cfg_path - = -stage_api - . -config_path - ( -self - . -stage_idx - , -task_idx - ) - -144 assert -cfg_path - is not None - -145 -cfg - . -task_config - . -dump_yaml - ( -cfg_path - ) - -146 -task - = -generate_task - ( -cfg - ) - -147 -task - . -arguments - += [ "-c" , -cfg_path - . -as_posix - ( ) ] - -148 -stage - . -add_tasks - ( -task - ) - -150 return -stage - - } - -152 def - $generate_machine_learning_stage - ( -self - ) -> -Stage - : - -153 -stage - = -Stage - ( ) - -154 -stage - . -name - = -self - . -MACHINE_LEARNING_STAGE_NAME - -155 -cfg - = -self - . -cfg - . -machine_learning_stage - -156 -stage_api - = -self - . -api - . -machine_learning_stage - -158 -task_idx - = 0 - -159 -output_path - = -stage_api - . -task_dir - ( -self - . -stage_idx - , -task_idx - , -mkdir - = True ) - -160 assert -output_path - is not None - -163 -cfg - . -task_config - . -experiment_directory - = -self - . -cfg - . -experiment_directory - -164 -cfg - . -task_config - . -stage_idx - = -self - . -stage_idx - -165 -cfg - . -task_config - . -task_idx - = -task_idx - -166 -cfg - . -task_config - . -node_local_path - = -self - . -cfg - . -node_local_path - -167 -cfg - . -task_config - . -output_path - = -output_path - -168 -cfg - . -task_config - . -model_tag - = -stage_api - . -unique_name - ( -output_path - ) - -169 if -self - . -stage_idx - > 0 : - -171 -cfg - . -task_config - . -init_weights_path - = None - -174 -cfg_path - = -stage_api - . -config_path - ( -self - . -stage_idx - , -task_idx - ) - -175 assert -cfg_path - is not None - -176 -cfg - . -task_config - . -dump_yaml - ( -cfg_path - ) - -177 -task - = -generate_task - ( -cfg - ) - -178 -task - . -arguments - += [ "-c" , -cfg_path - . -as_posix - ( ) ] - -179 -stage - . -add_tasks - ( -task - ) - -181 return -stage - - } - -183 def - $generate_model_selection_stage - ( -self - ) -> -Stage - : - -184 -stage - = -Stage - ( ) - -185 -stage - . -name - = -self - . -MODEL_SELECTION_STAGE_NAME - -186 -cfg - = -self - . -cfg - . -model_selection_stage - -187 -stage_api - = -self - . -api - . -model_selection_stage - -189 -task_idx - = 0 - -190 -output_path - = -stage_api - . -task_dir - ( -self - . -stage_idx - , -task_idx - , -mkdir - = True ) - -191 assert -output_path - is not None - -194 -cfg - . -task_config - . -experiment_directory - = -self - . -cfg - . -experiment_directory - -195 -cfg - . -task_config - . -stage_idx - = -self - . -stage_idx - -196 -cfg - . -task_config - . -task_idx - = -task_idx - -197 -cfg - . -task_config - . -node_local_path - = -self - . -cfg - . -node_local_path - -198 -cfg - . -task_config - . -output_path - = -output_path - -201 -cfg_path - = -stage_api - . -config_path - ( -self - . -stage_idx - , -task_idx - ) - -202 assert -cfg_path - is not None - -203 -cfg - . -task_config - . -dump_yaml - ( -cfg_path - ) - -204 -task - = -generate_task - ( -cfg - ) - -205 -task - . -arguments - += [ "-c" , -cfg_path - . -as_posix - ( ) ] - -206 -stage - . -add_tasks - ( -task - ) - -208 return -stage - - } - -210 def - $generate_agent_stage - ( -self - ) -> -Stage - : - -211 -stage - = -Stage - ( ) - -212 -stage - . -name - = -self - . -AGENT_STAGE_NAME - -213 -cfg - = -self - . -cfg - . -agent_stage - -214 -stage_api - = -self - . -api - . -agent_stage - -216 -task_idx - = 0 - -217 -output_path - = -stage_api - . -task_dir - ( -self - . -stage_idx - , -task_idx - , -mkdir - = True ) - -218 assert -output_path - is not None - -221 -cfg - . -task_config - . -experiment_directory - = -self - . -cfg - . -experiment_directory - -222 -cfg - . -task_config - . -stage_idx - = -self - . -stage_idx - -223 -cfg - . -task_config - . -task_idx - = -task_idx - -224 -cfg - . -task_config - . -node_local_path - = -self - . -cfg - . -node_local_path - -225 -cfg - . -task_config - . -output_path - = -output_path - -228 -cfg_path - = -stage_api - . -config_path - ( -self - . -stage_idx - , -task_idx - ) - -229 assert -cfg_path - is not None - -230 -cfg - . -task_config - . -dump_yaml - ( -cfg_path - ) - -231 -task - = -generate_task - ( -cfg - ) - -232 -task - . -arguments - += [ "-c" , -cfg_path - . -as_posix - ( ) ] - -233 -stage - . -add_tasks - ( -task - ) - -235 return -stage - - } - -238 if -__name__ - == "__main__" : - -240 -args - = -parse_args - ( ) - -241 -cfg - = -ExperimentConfig - . -from_yaml - ( -args - . -config - ) - -243 -reporter - = -ru - . -Reporter - ( -name - = "radical.entk" ) - -244 -reporter - . -title - ( -cfg - . -title - ) - -248 -appman - = -AppManager - ( - -255 except -KeyError - : - -256 raise -ValueError - ( "Invalid RMQ environment. Please see README.md for configuring environment." - -264 if -cfg - . -gpus_per_node - == 0 : - -265 -num_nodes - = -cfg - . -molecular_dynamics_stage - . -num_tasks - -267 -num_nodes - , -extra_gpus - = -divmod - ( - -268 -cfg - . -molecular_dynamics_stage - . -num_tasks - , -cfg - . -gpus_per_node - -271 -num_nodes - += -int - ( -extra_gpus - > 0 ) - -273 -num_nodes - = -max - ( 1 , -num_nodes - ) - -275 -appman - . -resource_desc - = { "resource" - -276 : -cfg - . -resource - , "queue" - -277 : -cfg - . -queue - , "access_schema" - -278 : -cfg - . -schema_ - , "walltime" - -279 : -cfg - . -walltime_min - , "project" - -280 : -cfg - . -project - , "cpus" - -281 : -cfg - . -cpus_per_node - * -cfg - . -hardware_threads_per_cpu - * -num_nodes - , "gpus" - -282 : -cfg - . -gpus_per_node - * -num_nodes - , - -285 -pipeline_manager - = -PipelineManager - ( -cfg - ) - -287 -shutil - . -copy - ( -args - . -config - , -cfg - . -experiment_directory - ) - -289 -pipelines - = -pipeline_manager - . -generate_pipelines - ( ) - -292 -appman - . -workflow - = -pipelines - -295 -appman - . -run - ( ) - - - @ -1 -. -0 -8 -128 -./config.py -./deepdrivemd_stream.py -./NWchem_T1.py -./__init__.py -./utils.py -./NWchem_Adapt.py -./NWchem_sync.py -./deepdrivemd.py diff --git a/src/data/__init__.py b/src/data/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/data/analysis.py b/src/data/analysis.py deleted file mode 100644 index 177af81..0000000 --- a/src/data/analysis.py +++ /dev/null @@ -1,61 +0,0 @@ -from concurrent.futures import ProcessPoolExecutor -from typing import TYPE_CHECKING, Any, Callable, Dict, Iterable, List, Optional - -if TYPE_CHECKING: - import numpy.typing as npt - -from tqdm import tqdm # type: ignore[import] - -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.data.utils import parse_h5 -from deepdrivemd.utils import PathLike - - -class DeepDriveMD_Analysis: - def __init__(self, experiment_directory: PathLike): - self.api = DeepDriveMD_API(experiment_directory) - - def get_agent_json( - self, iterations: int = -1 - ) -> List[Optional[List[Dict[str, Any]]]]: - if iterations == -1: - iterations = self.api.get_total_iterations() - agent_json_data = [ - self.api.agent_stage.read_task_json(stage_idx) - for stage_idx in range(iterations) - ] - assert None not in agent_json_data - return agent_json_data - - def get_agent_h5( - self, iterations: int = -1, fields: List[str] = [] - ) -> List[Dict[str, "npt.ArrayLike"]]: - if iterations == -1: - iterations = self.api.get_total_iterations() - stage_dirs = [ - self.api.agent_stage.stage_dir(stage_idx) for stage_idx in range(iterations) - ] - h5_data = [ - parse_h5(next(stage_dir.glob("**/*.h5")), fields) - for stage_dir in stage_dirs - if stage_dir is not None - ] - return h5_data - - def apply_analysis_fn( - self, - fn: Callable[[Iterable[Dict[str, List[str]]]], Any], - num_workers: Optional[int] = None, - n: Optional[int] = None, - data_file_suffix: str = ".h5", - traj_file_suffix: str = ".dcd", - structure_file_suffix: str = ".pdb", - ) -> List[Any]: - md_data = self.api.get_last_n_md_runs( - n, data_file_suffix, traj_file_suffix, structure_file_suffix - ) - output_data = [] - with ProcessPoolExecutor(max_workers=num_workers) as executor: - for data in tqdm(executor.map(fn, zip(md_data.values()))): - output_data.append(data) - return output_data diff --git a/src/data/api.py b/src/data/api.py deleted file mode 100644 index cff2de8..0000000 --- a/src/data/api.py +++ /dev/null @@ -1,445 +0,0 @@ -import itertools -import json -from pathlib import Path -from typing import Any, Callable, Dict, List, Optional - -import MDAnalysis # type: ignore[import] - -from deepdrivemd.utils import PathLike - - -def glob_file_from_dirs(dirs: List[str], pattern: str) -> List[str]: - """Return a list of all items matching `pattern` in multiple `dirs`.""" - # Next raises a StopIteration exception when there are no more items in the list, - # this crashes the code. - #return [next(Path(d).glob(pattern)).as_posix() for d in dirs] - result = [] - for d in dirs: - pattrn_files = Path(d).glob(pattern) - for pattrn_file in pattrn_files: - result.append(Path(pattrn_file).as_posix()) - return result - - -class Stage_API: - @staticmethod - def task_name(task_idx: int) -> str: - return f"task{task_idx:04d}" - - @staticmethod - def stage_name(stage_idx: int) -> str: - return f"stage{stage_idx:04d}" - - @staticmethod - def unique_name(task_path: Path) -> str: - # _ - return f"{task_path.parent.name}_{task_path.name}" - - @staticmethod - def get_latest( - path: Path, - pattern: str, - is_dir: bool = False, - key: Callable[[Path], Path] = lambda x: x, - ) -> Optional[Path]: - matches = list(filter(lambda p: p.is_dir() == is_dir, path.glob(pattern))) - if not matches: - return None - return max(matches, key=key) - - @staticmethod - def get_count(path: Path, pattern: str, is_dir: bool = False) -> int: - matches = list(filter(lambda p: p.is_dir() == is_dir, path.glob(pattern))) - return len(matches) - - def __init__(self, experiment_dir: Path, stage_dir_name: str): - self.experiment_dir = experiment_dir - self._stage_dir_name = stage_dir_name - - @property - def runs_dir(self) -> Path: - return self.experiment_dir.joinpath(self._stage_dir_name) - - def stage_dir(self, stage_idx: int = -1) -> Optional[Path]: - r"""Return the stage directory containing task subdirectories. - - Each stage type has a directory containing subdirectories stageXXXX. - In each stageXXXX there are several task directories labeled taskXXXX. - This function returns a particular stageXXXX directory selected with - `stage_idx`. Each iteration of DeepDriveMD corresponds to a stageXXXX - directory, they are labeled in increasing order. - """ - if stage_idx == -1: - return self.get_latest(self.runs_dir, pattern="stage*", is_dir=True) - return self.runs_dir.joinpath(self.stage_name(stage_idx)) - - def stage_dir_count(self) -> int: - r"""Return the number of stage directories.""" - return self.get_count(self.runs_dir, pattern="stage*", is_dir=True) - - def task_dir( - self, stage_idx: int = -1, task_idx: int = 0, mkdir: bool = False - ) -> Optional[Path]: - _stage_dir = self.stage_dir(stage_idx) - if _stage_dir is None: - return None - _task_dir = _stage_dir.joinpath(self.task_name(task_idx)) - - if mkdir: - _task_dir.mkdir(exist_ok=True, parents=True) - - return _task_dir - - def _task_file_path( - self, stage_idx: int = -1, task_idx: int = 0, suffix: str = ".yaml" - ) -> Optional[Path]: - _task_dir = self.task_dir(stage_idx, task_idx) - if _task_dir is None: - return None - file_name = f"{self.unique_name(_task_dir)}{suffix}" - return _task_dir.joinpath(file_name) - - def config_path(self, stage_idx: int = -1, task_idx: int = 0) -> Optional[Path]: - return self._task_file_path(stage_idx, task_idx, suffix=".yaml") - - def json_path(self, stage_idx: int = -1, task_idx: int = 0) -> Optional[Path]: - return self._task_file_path(stage_idx, task_idx, suffix=".json") - - def write_task_json( - self, data: List[Dict[str, Any]], stage_idx: int = -1, task_idx: int = 0 - ) -> None: - r"""Dump `data` to a new JSON file for the agent. - - Dump `data` to a JSON file written to the directory specified - by `stage_idx` and `task_idx`. - - Parameters - ---------- - data : List[Dict[str, Any]] - List of dictionarys to pass to `json.dump()`. Values in the - dictionarys must be JSON serializable. - """ - path = self.json_path(stage_idx, task_idx) - assert path is not None - with open(path, "w") as f: - json.dump(data, f) - - def read_task_json( - self, stage_idx: int = -1, task_idx: int = 0 - ) -> Optional[List[Dict[str, Any]]]: - path = self.json_path(stage_idx, task_idx) - if path is None: - return None - with open(path, "r") as f: - data: List[Dict[str, Any]] = json.load(f) - return data - - -class DeepDriveMD_API: - - # Directory structure for experiment stages - MOLECULAR_DYNAMICS_DIR = "molecular_dynamics_runs" - AGGREGATE_DIR = "aggregation_runs" - MACHINE_LEARNING_DIR = "machine_learning_runs" - MODEL_SELECTION_DIR = "model_selection_runs" - AGENT_DIR = "agent_runs" - - def __init__(self, experiment_directory: PathLike): - self.experiment_dir = Path(experiment_directory) - self.molecular_dynamics_stage = self._stage_api(self.MOLECULAR_DYNAMICS_DIR) - self.aggregation_stage = self._stage_api(self.AGGREGATE_DIR) - self.machine_learning_stage = self._stage_api(self.MACHINE_LEARNING_DIR) - self.model_selection_stage = self._stage_api(self.MODEL_SELECTION_DIR) - self.agent_stage = self._stage_api(self.AGENT_DIR) - - def _stage_api(self, dirname: str) -> Stage_API: - """Factory function for Stage_API.""" - return Stage_API(self.experiment_dir, dirname) - - def get_total_iterations(self) -> int: - return self.molecular_dynamics_stage.stage_dir_count() - - def get_last_n_md_runs( - self, - n: Optional[int] = None, - data_file_suffix: str = ".h5", - traj_file_suffix: str = ".dcd", - structure_file_suffix: str = ".pdb", - ) -> Dict[str, List[str]]: - r"""Get the last `n` MD run directories data file paths. - - Return a dictionary of data file paths for the last `n` MD runs - including the training data files, the trajectory files, and the - coordinate files. - - Parameters - ---------- - n : int, optional - Number of latest MD run directories to glob data files from. - Defaults to all MD run directories. - data_file_suffix : int, optional - The suffix of the training data file. Defaults to ".h5". - traj_file_suffix : str, optional - The suffix of the traj file. Defaults to ".dcd". - structure_file_suffix : str, optional - The suffix of the structure file. Defaults to ".pdb". - - Returns - ------- - Dict[str, List[str]] - A dictionary with keys "data_files", "traj_files" and "structure_files" - each containing a list of `n` paths globed from the the latest `n` - MD run directories. - """ - # /self.molecular_dynamics_dir - # /stage_{stage_idx} - # /task_{task_idx} - run_dirs = self.molecular_dynamics_stage.runs_dir.glob("*/task*") - # Remove any potential files - filtered_dirs = filter(lambda p: p.is_dir(), run_dirs) - # Sort by deepdrivemd iteration and sim task id - sorted_dirs = sorted(filtered_dirs) - # Reverse sort to get last n - reversed_dirs = reversed(sorted_dirs) - # Evaluate generator up to n items - n_dirs = list(itertools.islice(reversed_dirs, n)) - # Put back in sequential order - reversed_n_dirs = reversed(n_dirs) - # Convert pathlib.Path to str - last_n_dirs = list(map(str, reversed_n_dirs)) - - return { - "data_files": glob_file_from_dirs(last_n_dirs, f"*{data_file_suffix}"), - "traj_files": glob_file_from_dirs(last_n_dirs, f"*{traj_file_suffix}"), - "structure_files": glob_file_from_dirs( - last_n_dirs, f"*{structure_file_suffix}" - ), - } - - def get_restart_pdb( - self, index: int, stage_idx: int = -1, task_idx: int = 0 - ) -> Dict[str, Any]: - r"""Gets a single datum for the restart points JSON file. - - Parameters - ---------- - index : int - Index into the agent_{}.json file of the latest - DeepDriveMD iteration. - - Returns - ------- - Dict[Any] - Dictionary entry written by the outlier detector. - """ - data = self.agent_stage.read_task_json(stage_idx, task_idx) - assert data is not None - return data[index] - - @staticmethod - def get_initial_pdbs(initial_pdb_dir: PathLike) -> List[Path]: - r"""Return a list of PDB paths from the `initial_pdb_dir`. - - For example if the directory `/mary` contains: - - `/mary/` - `louise.pdb` - `jane/` - `carol.pdb` - `jennifer.pdb` - `sandra/` - `monique.pdb` - `eileen/` - `eveline.pdb` - - and if `intial_pdb_dir == "/mary"` then this function will return - - `[/mary/jane/carol.pdb,/mary/jane/jennifer.pdb,/mary/sandra/monique.pdb]` - - but not `/mary/louise.pdb` nor `/mary/sandra/eileen/eveline.pdb`. - - - Parameters - ---------- - initial_pdb_dir : Union[str, Path] - Initial data directory passed containing PDBs and optional topologies. - The PDB files returned are the ones residing in the subdirectories - of this directory. - - Returns - ------- - List[Path] - List of paths to initial PDB files. - - Raises - ------ - ValueError - If any of the PDB file names contain a double underscore __. - """ - - pdb_filenames = list(Path(initial_pdb_dir).glob("*/*.pdb")) - - if any("__" in filename.as_posix() for filename in pdb_filenames): - raise ValueError("Initial PDB files cannot contain a double underscore __") - - return pdb_filenames - - @staticmethod - def get_system_name(pdb_file: PathLike) -> str: - r"""Parse the system name from a PDB file. - - Parameters - ---------- - pdb_file : Union[str, Path] - The PDB file to parse. Can be absolute path, - relative path, or filename. - - Returns - ------- - str - The system name used to identify system topology. - - Examples - -------- - >>> pdb_file = "/path/to/system_name__anything.pdb" - >>> DeepDriveMD_API.get_system_name(pdb_file) - 'system_name' - - >>> pdb_file = "/path/to/system_name/anything.pdb" - >>> DeepDriveMD_API.get_system_name(pdb_file) - 'system_name' - """ - pdb_file = Path(pdb_file) - # On subsequent iterations the PDB file names include - # the system information to look up the topology - if "__" in pdb_file.name: - return Path(pdb_file).name.split("__")[0] - - # On initial iterations the system name is the name of the - # subdirectory containing pdb/top files - return pdb_file.parent.name - - @staticmethod - def get_topology( - initial_pdb_dir: PathLike, pdb_file: PathLike, suffix: str = ".top" - ) -> Optional[Path]: - """Get the topology file for the system. - - Parse :obj:`pdb_file` for the system name and then retrieve the - topology file from the correct subdirectory, given by the system - name, in the `initial_pdb_dir` directory or return None if the - system doesn't have a topology. - - Parameters - ---------- - initial_pdb_dir : Union[str, Path] - Initial data directory passed containing system subdirectories - with PDBs and optional topologies. - pdb_file : Union[str, Path] - The PDB file to parse. Can be absolute path, relative path, or filename. - suffix : str - Suffix of the topology file (.top, .prmtop, etc). - - Returns - ------- - Optional[Path] - The path to the topology file, or None if system has no topology. - """ - # pdb_file: /path/to/pdb/__.pdb - # top_file: initial_pdb_dir//* - system_name = DeepDriveMD_API.get_system_name(pdb_file) - top_file = list(Path(initial_pdb_dir).joinpath(system_name).glob(f"*{suffix}")) - if top_file: - return top_file[0] - return None - - @staticmethod - def get_system_pdb_name(pdb_file: PathLike) -> str: - r"""Generate PDB file name with correct system name. - - Parse `pdb_file` for the system name and generate a - PDB file name that is parseable by DeepDriveMD. If - `pdb_file` name is already compatible with DeepDriveMD, - the returned name will be the same. - - Parameters - ---------- - pdb_file : Union[str, Path] - The PDB file to parse. Can be absolute path, - relative path, or filename. - - Returns - ------- - str - The new PDB file name. File is not created. - - Raises - ------ - ValueError - If `pdb_file` contains more than one __. - - Examples - -------- - >>> pdb_file = "/path/to/system_name__anything.pdb" - >>> DeepDriveMD_API.get_system_pdb_name(pdb_file) - 'system_name__anything.pdb' - - >>> pdb_file = "/path/to/system_name/anything.pdb" - >>> DeepDriveMD_API.get_system_pdb_name(pdb_file) - 'system_name__anything.pdb' - """ - pdb_file = Path(pdb_file) - - __count = pdb_file.name.count("__") - - if __count == 0: - return f"{pdb_file.parent.name}__{pdb_file.name}" - elif __count == 1: - return pdb_file.name - - raise ValueError( - f"pdb_file can only have one occurence of __ not {__count}.\n{pdb_file}" - ) - - @staticmethod - def write_pdb( - output_pdb_file: PathLike, - input_pdb_file: PathLike, - traj_file: PathLike, - frame: int, - in_memory: bool = False, - ) -> None: - r"""Write a PDB file. - - Writes `output_pdb_file` to disk containing coordindates of - a single `frame` from a given input PDB `input_pdb_file` and - trajectory file `traj_file`. - - Parameters - ---------- - output_pdb_file : Union[str, Path] - The path of the output PDB file to be written to. - input_pdb_file : Union[str, Path] - The path of the input PDB file used to open `traj_file` - in MDAnalysis.Universe(). - traj_file : Union[str, Path] - The path of the trajectory file to be read from. - frame : int - The frame index into `traj_file` used to write `output_pdb_file`. - in_memory : bool, optional - If true, will load the MDAnalysis.Universe() trajectory into memory. - - Examples - -------- - >>> output_pdb_file = "/path/to/output.pdb" - >>> input_pdb_file = "/path/to/input.pdb" - >>> traj_file = "/path/to/traj.dcd" - >>> frame = 10 - >>> DeepDriveMD_API.write_pdb(output_pdb_file, input_pdb_file, traj_file, frame) - """ - u = MDAnalysis.Universe( - str(input_pdb_file), str(traj_file), in_memory=in_memory - ) - u.trajectory[frame] - PDB = MDAnalysis.Writer(str(output_pdb_file)) - PDB.write(u.atoms) diff --git a/src/data/stream/OutlierDB.py b/src/data/stream/OutlierDB.py deleted file mode 100644 index e635efe..0000000 --- a/src/data/stream/OutlierDB.py +++ /dev/null @@ -1,78 +0,0 @@ -import os -import random -from typing import List, Tuple - - -class OutlierDB: - """Stores the metadata for outliers to be used by simulations. - - Attributes - ---------- - dir : str - directory with published outliers - sorted_index: List[str] - list of md5sums of outlier positions (used as a name of - an outlier pdb or numpy file) sorted by the corresponding rmsd - dictionary: Dict - maps md5sum to rmsd - """ - - def __init__(self, dir: str, restarts: List[Tuple[float, str]]): - """Constructor - - Parameters - ---------- - dir : str - directory with published outliers - restarts : List[Tuple[float, str]] - list of outliers given as tuples of rmsd and md5sum of positions (used as a file name) - """ - self.dir = dir - self.sorted_index = list( - map(lambda x: os.path.basename(x[1]).replace(".pdb", ""), restarts) - ) - self.dictionary = {} - for rmsd, path in restarts: - md5 = os.path.basename(path).replace(".pdb", "") - self.dictionary[md5] = rmsd - self.print() - - def print(self, n: int = 5): - print("=" * 30) - print("In OutlierDB") - n = min(n, len(self.sorted_index)) - for i in range(n): - md5 = self.sorted_index[i] - print(f"{md5}: {self.dictionary[md5]}") - print("=" * 30) - - def next_random(self, m: int = None, alpha: int = 1, beta: int = 25) -> str: - """Return next outlier using beta distribution that prefers smaller rmsds - - Parameters - ---------- - m : int, default = None - if `m` is not `None`, restrict the random selection to the first - `m` elements of `softed_index`, otherwise - any element can be chosen. - alpha : int, default = 1 - beta : int, default = 25 - `alpha` and `beta` are parameters of beta distribution. - """ - if len(self.sorted_index) == 0: - raise ValueError("len(sorted_index) = 0") - if m is None: - hlimit = len(self.sorted_index) - 1 - else: - hlimit = min(m, len(self.sorted_index) - 1) - i = int(random.betavariate(alpha=alpha, beta=beta) * (hlimit)) - md5 = self.sorted_index[i] - - selected_rmsd = self.dictionary[md5][0] - rmsds = list(map(lambda x: x[0], self.dictionary.values())) - min_rmsd = min(rmsds) - max_rmsd = max(rmsds) - print( - f"In next_random: selected_rmsd = {selected_rmsd}, min_rmsd = {min_rmsd}, max_rmsd = {max_rmsd}, md5 = {md5}, index = {i}, len = {len(self.sorted_index)}" - ) - - return f"{self.dir}/{md5}.pdb" diff --git a/src/data/stream/__init__.py b/src/data/stream/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/data/stream/adios_utils.py b/src/data/stream/adios_utils.py deleted file mode 100644 index 2aa5d39..0000000 --- a/src/data/stream/adios_utils.py +++ /dev/null @@ -1,130 +0,0 @@ -"""Utility functions for ADIOS2.""" - -from typing import Dict, Tuple - -import adios2 -import numpy as np - -from deepdrivemd.data.stream.enumerations import DataStructure - - -class AdiosStreamStepRW: - """Read/Write step by step adios stream using Full API. Full API is needed not to block if some - adios stream does not have data yet: check the status of the adios stream, if the next simulation step - is not available there yet, go to the next stream and revisit the current stream later. - The status can only be checked in Full ADIOS API. High level API can only read in blocking or - non-blocking way. - - Attributes - ---------- - connections : Dict[int, Tuple[adios2.adios2.ADIOS, adios2.adios2.IO, adios2.adios2.Engine]] - dictionary of adios connections; key - integer, in aggregator it is simulation task id; - value - a tuple of adios objects - variables : Dict[str, Tuple[type, DataStructure]], - dictionary describing variables; key - adios column name, value - a tuple of variable type and - enumeration describing the structure type: scalar, numpy array, string; - other class attributes are created on the fly using `setattr`: for each key two attributes - are created: `var_` - adios variable, `d_` - data which stores the result of reading - a particular variable `key` from a step of adios stream. - """ - - def __init__( - self, - connections: Dict[ - int, Tuple[adios2.adios2.ADIOS, adios2.adios2.IO, adios2.adios2.Engine] - ], - variables: Dict[str, Tuple[type, DataStructure]], - ): - """Initialize :code:`AdiosStreamStepRW` object. - - Parameters - ---------- - connections : Dict[int, Tuple[adios2.adios2.ADIOS, adios2.adios2.IO, adios2.adios2.Engine]] - dictionary of adios connections; key - integer, in aggregator it is simulation task id, - value - a tuple of adios objects - variables : Dict[str, Tuple[type, DataStructure]] - dictionary describing variables; key - adios column name, value - a tuple of variable type and - enumeration describing the structure type: scalar, numpy array, string. - """ - self.connections = connections - self.variables = variables - - def read_step(self, sim_task_id: int) -> bool: - """Read the next step from adios stream given by `connections[sim_task_id]`. - - Parameters - ---------- - sim_task_id : int - is used as a key to get the corresponding adios objects from `connections` - - Returns - ------- - bool - `True` if reading a step succeeded, `False` - otherwise. - """ - adios, io, stream = self.connections[sim_task_id] - - status = stream.BeginStep(adios2.StepMode.Read, 0.0) - - if not (status == adios2.StepStatus.OK): - return False - - for v in self.variables: - vname = "var_" + v - dname = "d_" + v - dtype = self.variables[v][0] - structure_type = self.variables[v][1] - setattr(self, vname, io.InquireVariable(v)) - if structure_type == DataStructure.scalar: - setattr(self, dname, np.zeros(1, dtype=dtype)) - stream.Get(getattr(self, vname), getattr(self, dname)) - elif structure_type == DataStructure.array: - shape = getattr(self, vname).Shape() - start = [0] * len(shape) # ndim - getattr(self, vname).SetSelection([start, shape]) - setattr(self, dname, np.zeros(shape, dtype=dtype)) - stream.Get(getattr(self, vname), getattr(self, dname)) - elif structure_type == DataStructure.string: - setattr(self, dname, stream.Get(getattr(self, vname))) - stream.EndStep() - return True - - def write_step( - self, - wstream: adios2.adios2.Engine, - variables: Dict[str, Tuple[type, DataStructure]], - end_step: bool = False, - ): - """Write the next step from class `d_...` variables into `wstream` adios stream. - - Parameters - ---------- - wstream : adios2.adios2.Engine - adios stream to which the data is written - variables : Dict[str, Tuple[type, DataStructure]] - a dictionary indexed by adios column names, value is a tuple - data type, structure type; - structure type can be scalar, array, string - end_step : bool, default = False - if this is `True`, the write of the last variable would be marked by `end_step = True` - meaning that the step writing is done; otherwise, terminating the step should be done - outside of the method - """ - vnames = list(variables.keys()) - - for v in vnames: - dname = "d_" + v - structure_type = variables[v][1] - data = getattr(self, dname) - end = end_step and v == vnames[-1] - - if structure_type == DataStructure.scalar: - wstream.write(v, data, end_step=end) - elif structure_type == DataStructure.array: - wstream.write( - v, - data, - list(data.shape), - [0] * len(data.shape), - list(data.shape), - end_step=end, - ) diff --git a/src/data/stream/aggregator_reader.py b/src/data/stream/aggregator_reader.py deleted file mode 100644 index e42eedc..0000000 --- a/src/data/stream/aggregator_reader.py +++ /dev/null @@ -1,268 +0,0 @@ -from pathlib import Path -from typing import Dict, List, Union - -import adios2 -import numpy as np - -from deepdrivemd.data.stream.adios_utils import AdiosStreamStepRW -from deepdrivemd.data.stream.enumerations import DataStructure - - -class StreamVariable: - """This class is used to read a variable from BP file. - - Attributes - ---------- - name : str - variable name in adios file - dtype : type - variable type, for example, np.uint8 - structure : DataStructure - enumeration: array, scalar, string - total : List - list of variable values for different steps - """ - - def __init__(self, name: str, dtype: type, structure: DataStructure): - """ - Parameters - ---------- - name : str - variable name in adios file - dtype : type - variable type, for example, np.uint8 - structure : DataStructure - structure type: array, scalar, string - - """ - self.name = name - self.dtype = dtype - self.structure = structure - self.total = [] - - def next(self, ARW: AdiosStreamStepRW): - """Get the variable value for the next time step and append it to `total`. - - Parameters - ---------- - ARW : AdiosStreamStepRW - low level object for reading data from ADIOS stream (BP file or SST stream) - - """ - - var = getattr(ARW, "d_" + self.name) - self.total.append(var) - - -class StreamContactMapVariable(StreamVariable): - """Implementation of `StreamVariable` that handles contact maps: - unpack bits to 1D array, convert 1D array to 2D array. - """ - - def next(self, ARW): - var = getattr(ARW, "d_" + self.name) - self.total.append(var) - - -class StreamScalarVariable(StreamVariable): - """Implementation of `StreamVariable` that handles scalar variables.""" - - def next(self, ARW): - var = getattr(ARW, "d_" + self.name) - self.total.append(var[0]) - - -class AdiosReader: - """This class is used to read the next `N` steps from an adios stream. - - Attributes - ---------- - adios : adios2.adios2.ADIOS - io : adios2.adios2.IO - stream : adios2.adios2.Engine - """ - - def __init__( - self, fn: str, config: Path, stream_name: str, variables: List[StreamVariable] - ): - """Initialize AdiosReader object. - - Parameters - ---------- - fn: str - file name of bp file or sst socket (without sst extension) - config : Path - path to `adios.xml` file - stream_name : str - name of a stream in `adios.xml` file - """ - print("config=", str(config)) - print("fn=", fn) - print("stream_name=", stream_name) - print("variables=", str(variables)) - import sys - - sys.stdout.flush() - - self.adios = adios2.ADIOS(str(config), True) - self.io = self.adios.DeclareIO(stream_name) - self.stream = self.io.Open(fn, adios2.Mode.Read) - - self.variables = variables - self.connections = {0: (self.adios, self.io, self.stream)} - - def __del__(self): - """Destructor: clean the adios resources.""" - self.stream.Close() - self.io.RemoveAllVariables() - self.adios.RemoveAllIOs() - - def next(self, N: int) -> Dict[str, Union[np.array, str, int, float]]: - """Read the next `N` steps of all variables. - - Parameters - ---------- - N : int - read that many steps - - Returns - ------- - Dict[str, Union[np.array, str, int, float]] - values for different variables whose names are used as keys - """ - vvv = {} - for v in self.variables: - vvv[v.name] = (v.dtype, v.structure) - v.total = [] - - ARW = AdiosStreamStepRW(self.connections, vvv) - - for i in range(N): - status = ARW.read_step(0) - if not status: - break - for v in self.variables: - v.next(ARW) - - output = {"steps_read": i} - for v in self.variables: - output[v.name] = v.total.copy() - - return output - - -class Streams: - """The class keeps `lastN` steps from each aggregator. - - Attributes - ---------- - readers : Dict[str, AdiosReader] - a dictionary of `AdiosReader` indexed by the corresponding adios file name - positions : Dict[str, np.ndarray] - md5 : Dict[str, str] - steps : Dict[str, np.ndarray] - rmsds : Dict[str, np.ndarray] - cm : Dict[str, np.ndarray] - velocities : Dict[str, np.ndarray] - lastN : int - keep that many last steps from each aggregator - batch : int - up to how many steps to read from each adios file at a time - - """ - - def __init__( - self, - files: List[str], - variables: List[StreamVariable], - config: Path = Path("../aggregate/adios.xml"), - stream_name: str = "AdiosOutput", - lastN: int = 2000, - batch: int = 10000, - ): - """Initialize Streams object. - - Parameters - ---------- - files : List[str] - adios files from each aggregator, - variables: List[StreamVariable] - list of variables to read from the aggegator file - config : Path - adios xml file for the files, - stream_name : str - corresponding stream name in adios.xml - lastN : int - number of last steps to keep from each adios file - batch : int - up to how many steps to read from each adios file at a time (call of `next()`) - """ - self.variables = variables - self.vnames = list(map(lambda x: x.name, variables)) - - self.readers = {} - - for v in self.vnames: - cname = "c_" + v - setattr(self, cname, {}) - - self.lastN = lastN - self.batch = batch - - for fn in files: - self.readers[fn] = AdiosReader(fn, config, stream_name, variables) - for v in self.vnames: - cname = "c_" + v - cache = getattr(self, cname) - cache[fn] = [] - - def next( - self, - ) -> Dict[str, Union[np.array, int, float, str]]: - """Provide `lastN` steps from each aggregator. - - Returns - ------- - Dict[str, Union[np.array, int, float, str]] - values for the the variables whose names are used as keys - """ - lastN = self.lastN - batch = self.batch - for fn in self.readers: - nextbatch = self.readers[fn].next(batch) - - i = nextbatch["steps_read"] - print(f"lastN = {lastN}, batch = {batch}, i = {i}") - if i >= lastN: - for j, v in enumerate(self.vnames): - cname = "c_" + v - cache = getattr(self, cname) - cache[fn] = nextbatch[v][-lastN:] - else: - remain = lastN - i - for j, v in enumerate(self.vnames): - cname = "c_" + v - cache = getattr(self, cname) - cache[fn] = cache[fn][-remain:] + nextbatch[v] - - output = {} - print(f"vnames = {self.vnames}") - for v in self.vnames: - cname = "c_" + v - cache = getattr(self, cname) - - for k in cache: - print("k=", k) - print("v=", cache[k]) - print("len(v)=", len(cache[k])) - - values = list(cache.values()) - print("before filter: len(values) = ", len(values)) - values = list(filter(lambda x: len(x) > 0, values)) - print("after filter: len(values) = ", len(values)) - import sys - - sys.stdout.flush() - output[v] = np.concatenate(values) - - return output diff --git a/src/data/stream/enumerations.py b/src/data/stream/enumerations.py deleted file mode 100644 index 685c38a..0000000 --- a/src/data/stream/enumerations.py +++ /dev/null @@ -1,8 +0,0 @@ -from enum import Enum, auto, unique - - -@unique -class DataStructure(Enum): - array = auto() - scalar = auto() - string = auto() diff --git a/src/data/utils.py b/src/data/utils.py deleted file mode 100644 index 14fb6ea..0000000 --- a/src/data/utils.py +++ /dev/null @@ -1,169 +0,0 @@ -"""Data utility functions for handling HDF5 files.""" - -import random -import shutil -from pathlib import Path -from typing import TYPE_CHECKING, Dict, List, Optional, Tuple - -if TYPE_CHECKING: - import numpy.typing as npt - -import h5py # type: ignore[import] - -from deepdrivemd.utils import PathLike - - -def concatenate_virtual_h5( - input_file_names: List[str], output_name: str, fields: Optional[List[str]] = None -) -> None: - """Concatenate HDF5 files into a virtual HDF5 file. - - Concatenates a list :obj:`input_file_names` of HDF5 files containing - the same format into a single virtual dataset. - - Parameters - ---------- - input_file_names : List[str] - List of HDF5 file names to concatenate. - output_name : str - Name of output virtual HDF5 file. - fields : Optional[List[str]], default=None - Which dataset fields to concatenate. Will concatenate all fields by default. - """ - - # Open first file to get dataset shape and dtype - # Assumes uniform number of data points per file - h5_file = h5py.File(input_file_names[0], "r") - - if not fields: - fields = list(h5_file.keys()) - - # Helper function to output concatenated shape - def concat_shape(shape: Tuple[int]) -> Tuple[int]: - return (len(input_file_names) * shape[0], *shape[1:]) - - # Create a virtual layout for each input field - layouts = { - field: h5py.VirtualLayout( - shape=concat_shape(h5_file[field].shape), - dtype=h5_file[field].dtype, - ) - for field in fields - } - - with h5py.File(output_name, "w", libver="latest") as f: - for field in fields: - for i, filename in enumerate(input_file_names): - shape = h5_file[field].shape - vsource = h5py.VirtualSource(filename, field, shape=shape) - layouts[field][i * shape[0] : (i + 1) * shape[0], ...] = vsource - - f.create_virtual_dataset(field, layouts[field]) - - h5_file.close() - - -def get_virtual_h5_file( - output_path: Path, - all_h5_files: List[str], - last_n: int = 0, - k_random_old: int = 0, - virtual_name: str = "virtual", - node_local_path: Optional[Path] = None, -) -> Tuple[Path, List[str]]: - r"""Create and return a virtual HDF5 file. - - Create a virtual HDF5 file from the `last_n` files - in `all_h5_files` and a random selection of `k_random_old`. - - Parameters - ---------- - output_path : Path - Directory to write virtual HDF5 file to. - all_h5_files : List[str] - List of HDF5 files to select from. - last_n : int, optional - Chooses the last n files in :obj:`all_h5_files` to concatenate - into a virtual HDF5 file. Defaults to all the files. - k_random_old : int, default=0 - Chooses k random files not in the :obj:`last_n` files to - concatenate into the virtual HDF5 file. Defaults to - choosing no random old files. - virtual_name : str, default="virtual" - The name of the virtual HDF5 file to be written - e.g. :obj:`virtual_name == virtual` implies the file will - be written to :obj:`output_path/virtual.h5`. - node_local_path : Optional[Path], default=None - An optional path to write the virtual file to that could - be a node local storage. Will also copy all selected HDF5 - files in :obj:`all_h5_files` to the same directory. - - Returns - ------- - Path - The path to the created virtual HDF5 file. - List[str] - The selected HDF5 files from :obj:`last_n` and - :obj:`k_random_old` used to make the virtual HDF5 file. - - Raises - ------ - ValueError - If :obj:`all_h5_files` is empty. - If `:obj:last_n` is greater than :obj:`len(all_h5_files)`. - """ - - if not all_h5_files: - raise ValueError("Tried to create virtual HDF5 file from empty all_h5_files") - if len(all_h5_files) < last_n: - raise ValueError("last_n is greater than the number files in all_h5_files") - - # Partition all HDF5 files into old and new - last_n_h5_files = all_h5_files[-1 * last_n :] - old_h5_files = all_h5_files[: -1 * last_n] - - # Get a random sample of old HDF5 files, or use all - # if the length of old files is less then k_random_old - if len(old_h5_files) > k_random_old: - old_h5_files = random.sample(old_h5_files, k=k_random_old) - - # Combine all new files and some old files - h5_files = old_h5_files + last_n_h5_files - - # Always make a virtual file in long term storage - virtual_h5_file = output_path.joinpath(f"{virtual_name}.h5") - concatenate_virtual_h5(h5_files, virtual_h5_file.as_posix()) - - # If node local storage optimization is available, then - # copy all HDF5 files to node local storage and make a - # separate virtual HDF5 file on node local storage. - if node_local_path is not None: - tmp_h5_files = [shutil.copy(f, node_local_path) for f in h5_files] - virtual_h5_file = node_local_path.joinpath(f"{virtual_name}.h5") - concatenate_virtual_h5(tmp_h5_files, virtual_h5_file.as_posix()) - - # Returns node local virtual file if available - return virtual_h5_file, h5_files - - -def parse_h5(path: PathLike, fields: List[str]) -> Dict[str, "npt.ArrayLike"]: - """Helper function for accessing data fields in a HDF5 file. - - Parameters - ---------- - path : Union[Path, str] - Path to HDF5 file. - fields : List[str] - List of dataset field names inside of the HDF5 file. - - Returns - ------- - Dict[str, npt.ArrayLike] - A dictionary maping each field name in :obj:`fields` to a numpy - array containing the data from the associated HDF5 dataset. - """ - data = {} - with h5py.File(path, "r") as f: - for field in fields: - data[field] = f[field][...] - return data diff --git a/src/deepdrivemd_offline.py b/src/deepdrivemd_offline.py deleted file mode 100644 index 78e5754..0000000 --- a/src/deepdrivemd_offline.py +++ /dev/null @@ -1,295 +0,0 @@ -import itertools -import os -import shutil -from pathlib import Path -from typing import List, Optional - -import radical.utils as ru # type: ignore[import] -from radical.entk import AppManager, Pipeline, Stage, Task # type: ignore[import] - -from deepdrivemd.config import BaseStageConfig, ExperimentConfig -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.utils import parse_args - - -def generate_task(cfg: BaseStageConfig) -> Task: - task = Task() - task.cpu_reqs = cfg.cpu_reqs.dict().copy() - task.gpu_reqs = cfg.gpu_reqs.dict().copy() - task.pre_exec = cfg.pre_exec.copy() - task.executable = cfg.executable - task.arguments = cfg.arguments.copy() - return task - - -class PipelineManager: - - PIPELINE_NAME = "DeepDriveMD" - MOLECULAR_DYNAMICS_STAGE_NAME = "MolecularDynamics" - AGGREGATION_STAGE_NAME = "Aggregating" - MACHINE_LEARNING_STAGE_NAME = "MachineLearning" - MODEL_SELECTION_STAGE_NAME = "ModelSelection" - AGENT_STAGE_NAME = "Agent" - - def __init__(self, cfg: ExperimentConfig): - self.cfg = cfg - self.stage_idx = 0 - - self.api = DeepDriveMD_API(cfg.experiment_directory) - self.pipeline = Pipeline() - self.pipeline.name = self.PIPELINE_NAME - - self._init_experiment_dir() - - def _init_experiment_dir(self) -> None: - # Make experiment directories - self.cfg.experiment_directory.mkdir() - self.api.molecular_dynamics_stage.runs_dir.mkdir() - self.api.aggregation_stage.runs_dir.mkdir() - self.api.machine_learning_stage.runs_dir.mkdir() - self.api.model_selection_stage.runs_dir.mkdir() - self.api.agent_stage.runs_dir.mkdir() - - def func_condition(self) -> None: - if self.stage_idx < self.cfg.max_iteration: - self.func_on_true() - else: - self.func_on_false() - - def func_on_true(self) -> None: - print(f"Finishing stage {self.stage_idx} of {self.cfg.max_iteration}") - self._generate_pipeline_iteration() - - def func_on_false(self) -> None: - print("Done") - - def _generate_pipeline_iteration(self) -> None: - - self.pipeline.add_stages(self.generate_molecular_dynamics_stage()) - - if not cfg.aggregation_stage.skip_aggregation: - self.pipeline.add_stages(self.generate_aggregating_stage()) - - if self.stage_idx % cfg.machine_learning_stage.retrain_freq == 0: - self.pipeline.add_stages(self.generate_machine_learning_stage()) - self.pipeline.add_stages(self.generate_model_selection_stage()) - - agent_stage = self.generate_agent_stage() - agent_stage.post_exec = self.func_condition - self.pipeline.add_stages(agent_stage) - - self.stage_idx += 1 - - def generate_pipelines(self) -> List[Pipeline]: - self._generate_pipeline_iteration() - return [self.pipeline] - - def generate_molecular_dynamics_stage(self) -> Stage: - stage = Stage() - stage.name = self.MOLECULAR_DYNAMICS_STAGE_NAME - cfg = self.cfg.molecular_dynamics_stage - stage_api = self.api.molecular_dynamics_stage - - if self.stage_idx == 0: - initial_pdbs = self.api.get_initial_pdbs(cfg.task_config.initial_pdb_dir) - filenames: Optional[itertools.cycle[Path]] = itertools.cycle(initial_pdbs) - else: - filenames = None - - for task_idx in range(cfg.num_tasks): - - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - if self.stage_idx == 0: - assert filenames is not None - cfg.task_config.pdb_file = next(filenames) - else: - cfg.task_config.pdb_file = None - - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - task = generate_task(cfg) - task.arguments += ["-c", cfg_path.as_posix()] - stage.add_tasks(task) - - return stage - - def generate_aggregating_stage(self) -> Stage: - stage = Stage() - stage.name = self.AGGREGATION_STAGE_NAME - cfg = self.cfg.aggregation_stage - stage_api = self.api.aggregation_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - task = generate_task(cfg) - task.arguments += ["-c", cfg_path.as_posix()] - stage.add_tasks(task) - - return stage - - def generate_machine_learning_stage(self) -> Stage: - stage = Stage() - stage.name = self.MACHINE_LEARNING_STAGE_NAME - cfg = self.cfg.machine_learning_stage - stage_api = self.api.machine_learning_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - cfg.task_config.model_tag = stage_api.unique_name(output_path) - if self.stage_idx > 0: - # Machine learning should use model selection API - cfg.task_config.init_weights_path = None - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - task = generate_task(cfg) - task.arguments += ["-c", cfg_path.as_posix()] - stage.add_tasks(task) - - return stage - - def generate_model_selection_stage(self) -> Stage: - stage = Stage() - stage.name = self.MODEL_SELECTION_STAGE_NAME - cfg = self.cfg.model_selection_stage - stage_api = self.api.model_selection_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - task = generate_task(cfg) - task.arguments += ["-c", cfg_path.as_posix()] - stage.add_tasks(task) - - return stage - - def generate_agent_stage(self) -> Stage: - stage = Stage() - stage.name = self.AGENT_STAGE_NAME - cfg = self.cfg.agent_stage - stage_api = self.api.agent_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - assert cfg_path is not None - cfg.task_config.dump_yaml(cfg_path) - task = generate_task(cfg) - task.arguments += ["-c", cfg_path.as_posix()] - stage.add_tasks(task) - - return stage - - -if __name__ == "__main__": - - args = parse_args() - cfg = ExperimentConfig.from_yaml(args.config) - - reporter = ru.Reporter(name="radical.entk") - reporter.title(cfg.title) - - # Create Application Manager - try: - appman = AppManager( - # All deprecated: - #hostname=os.environ["RMQ_HOSTNAME"], - #port=int(os.environ["RMQ_PORT"]), - #username=os.environ["RMQ_USERNAME"], - #password=os.environ["RMQ_PASSWORD"], - ) - except KeyError: - raise ValueError( - "Invalid RMQ environment. Please see README.md for configuring environment." - ) - - # Calculate total number of nodes required. - # If gpus_per_node is 0, then we assume that the CPU is used for - # simulation, in which case we request a node per simulation task. - # Otherwise, we assume that each simulation task uses a single GPU. - if cfg.gpus_per_node == 0: - num_nodes = cfg.molecular_dynamics_stage.num_tasks - else: - num_nodes, extra_gpus = divmod( - cfg.molecular_dynamics_stage.num_tasks, cfg.gpus_per_node - ) - # If simulations don't pack evenly onto nodes, add an extra node - num_nodes += int(extra_gpus > 0) - - num_nodes = max(1, num_nodes) - - appman.resource_desc = { - "resource": cfg.resource, - "queue": cfg.queue, - "access_schema": cfg.schema_, - "walltime": cfg.walltime_min, - "project": cfg.project, - "cpus": cfg.cpus_per_node * cfg.hardware_threads_per_cpu * num_nodes, - "gpus": cfg.gpus_per_node * num_nodes, - } - - pipeline_manager = PipelineManager(cfg) - # Back up configuration file (PipelineManager must create cfg.experiment_dir) - shutil.copy(args.config, cfg.experiment_directory) - - pipelines = pipeline_manager.generate_pipelines() - # Assign the workflow as a list of Pipelines to the Application Manager. - # All the pipelines in the list will execute concurrently. - appman.workflow = pipelines - - # Run the Application Manager - appman.run() diff --git a/src/deepdrivemd_stream.py b/src/deepdrivemd_stream.py deleted file mode 100644 index 3f854d3..0000000 --- a/src/deepdrivemd_stream.py +++ /dev/null @@ -1,283 +0,0 @@ -import math -import os -import shutil -from pathlib import Path -from typing import List - -import radical.utils as ru -from radical.entk import AppManager, Pipeline, Stage, Task - -from deepdrivemd.config import BaseStageConfig, StreamingExperimentConfig -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.utils import parse_args - - -def generate_task(cfg: BaseStageConfig) -> Task: - task = Task() - task.cpu_reqs = cfg.cpu_reqs.dict().copy() - task.gpu_reqs = cfg.gpu_reqs.dict().copy() - task.pre_exec = cfg.pre_exec.copy() - task.executable = cfg.executable - task.arguments = cfg.arguments.copy() - return task - - -class PipelineManager: - MOLECULAR_DYNAMICS_STAGE_NAME = "MolecularDynamics" - AGGREGATION_STAGE_NAME = "Aggregating" - MACHINE_LEARNING_STAGE_NAME = "MachineLearning" - AGENT_STAGE_NAME = "Agent" - - MOLECULAR_DYNAMICS_PIPELINE_NAME = "MolecularDynamicsPipeline" - AGGREGATION_PIPELINE_NAME = "AggregatingPipeline" - MACHINE_LEARNING_PIPELINE_NAME = "MachineLearningPipeline" - AGENT_PIPELINE_NAME = "AgentPipeline" - - def __init__(self, cfg: StreamingExperimentConfig): - self.cfg = cfg - self.stage_idx = 0 - self.api = DeepDriveMD_API(cfg.experiment_directory) - - self.pipelines = {} - - p_md = Pipeline() - p_md.name = self.MOLECULAR_DYNAMICS_PIPELINE_NAME - - self.pipelines[p_md.name] = p_md - - p_aggregate = Pipeline() - p_aggregate.name = self.AGGREGATION_PIPELINE_NAME - - self.pipelines[p_aggregate.name] = p_aggregate - - p_ml = Pipeline() - p_ml.name = self.MACHINE_LEARNING_PIPELINE_NAME - self.pipelines[p_ml.name] = p_ml - - p_outliers = Pipeline() - p_outliers.name = self.AGENT_PIPELINE_NAME - self.pipelines[p_outliers.name] = p_outliers - - self._init_experiment_dir() - - def _init_experiment_dir(self): - # Make experiment directories - self.cfg.experiment_directory.mkdir() - self.api.molecular_dynamics_stage.runs_dir.mkdir() - self.api.aggregation_stage.runs_dir.mkdir() - self.api.machine_learning_stage.runs_dir.mkdir() - self.api.agent_stage.runs_dir.mkdir() - - def _generate_pipeline_iteration(self): - - self.pipelines[self.MOLECULAR_DYNAMICS_PIPELINE_NAME].add_stages( - self.generate_molecular_dynamics_stage() - ) - self.pipelines[self.AGGREGATION_PIPELINE_NAME].add_stages( - self.generate_aggregating_stage() - ) - self.pipelines[self.MACHINE_LEARNING_PIPELINE_NAME].add_stages( - self.generate_machine_learning_stage() - ) - self.pipelines[self.AGENT_PIPELINE_NAME].add_stages(self.generate_agent_stage()) - - self.stage_idx += 1 - - def generate_pipelines(self) -> List[Pipeline]: - self._generate_pipeline_iteration() - return list(self.pipelines.values()) - - def generate_molecular_dynamics_stage(self) -> Stage: - stage = Stage() - stage.name = self.MOLECULAR_DYNAMICS_STAGE_NAME - cfg = self.cfg.molecular_dynamics_stage - stage_api = self.api.molecular_dynamics_stage - - for task_idx in range(cfg.num_tasks): - - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - cfg.task_config.dump_yaml(cfg_path) - task = generate_task(cfg) - task.arguments += ["-c", cfg_path.as_posix()] - stage.add_tasks(task) - - return stage - - def generate_aggregating_stage(self) -> Stage: - stage = Stage() - stage.name = self.AGGREGATION_STAGE_NAME - cfg = self.cfg.aggregation_stage - stage_api = self.api.aggregation_stage - - for task_idx in range(cfg.num_tasks): - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - cfg.task_config.dump_yaml(cfg_path) - task = generate_task(cfg) - task.arguments += ["-c", cfg_path.as_posix()] - stage.add_tasks(task) - - return stage - - def generate_machine_learning_stage(self) -> Stage: - stage = Stage() - stage.name = self.MACHINE_LEARNING_STAGE_NAME - cfg = self.cfg.machine_learning_stage - stage_api = self.api.machine_learning_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - cfg.task_config.model_tag = stage_api.unique_name(output_path) - if self.stage_idx > 0: - # Machine learning should use model selection API - cfg.task_config.init_weights_path = None - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - cfg.task_config.dump_yaml(cfg_path) - task = generate_task(cfg) - task.arguments += ["-c", cfg_path.as_posix()] - stage.add_tasks(task) - - return stage - - def generate_agent_stage(self) -> Stage: - stage = Stage() - stage.name = self.AGENT_STAGE_NAME - cfg = self.cfg.agent_stage - stage_api = self.api.agent_stage - - task_idx = 0 - output_path = stage_api.task_dir(self.stage_idx, task_idx, mkdir=True) - assert output_path is not None - - # Update base parameters - cfg.task_config.experiment_directory = self.cfg.experiment_directory - cfg.task_config.stage_idx = self.stage_idx - cfg.task_config.task_idx = task_idx - cfg.task_config.node_local_path = self.cfg.node_local_path - cfg.task_config.output_path = output_path - - # Write yaml configuration - cfg_path = stage_api.config_path(self.stage_idx, task_idx) - cfg.task_config.dump_yaml(cfg_path) - task = generate_task(cfg) - task.arguments += ["-c", cfg_path.as_posix()] - stage.add_tasks(task) - - return stage - - -def compute_number_of_nodes(cfg: StreamingExperimentConfig) -> int: - nodes = 0 - - for stage in ( - cfg.molecular_dynamics_stage, - cfg.aggregation_stage, - cfg.machine_learning_stage, - cfg.agent_stage, - ): - nodes_cpu = ( - stage.cpu_reqs.processes - * stage.cpu_reqs.threads_per_process - * stage.num_tasks - ) / (cfg.cpus_per_node * cfg.hardware_threads_per_cpu) - nodes_gpu = ( - stage.gpu_reqs.processes - * stage.gpu_reqs.threads_per_process - * stage.num_tasks - ) / cfg.gpus_per_node - nodes += max(nodes_cpu, nodes_gpu) - return int(math.ceil(nodes)) - - -if __name__ == "__main__": - - args = parse_args() - cfg = StreamingExperimentConfig.from_yaml(args.config) - cfg.config_directory = os.path.dirname(os.path.abspath(args.config)) - print("config_directory = ", cfg.config_directory) - print("experiment directory = ", cfg.experiment_directory) - - cfg.adios_xml_sim = Path(cfg.config_directory) / "adios_sim.xml" - cfg.adios_xml_agg = Path(cfg.config_directory) / "adios_agg.xml" - cfg.adios_xml_agg_4ml = Path(cfg.config_directory) / "adios_agg_4ml.xml" - cfg.adios_xml_file = Path(cfg.config_directory) / "adios_file.xml" - - cfg.agent_stage.task_config.adios_xml_agg = cfg.adios_xml_agg - cfg.aggregation_stage.task_config.adios_xml_agg = cfg.adios_xml_agg - cfg.aggregation_stage.task_config.adios_xml_agg_4ml = cfg.adios_xml_agg_4ml - cfg.machine_learning_stage.task_config.adios_xml_agg = cfg.adios_xml_agg - cfg.machine_learning_stage.task_config.adios_xml_agg_4ml = cfg.adios_xml_agg_4ml - cfg.molecular_dynamics_stage.task_config.adios_xml_sim = cfg.adios_xml_sim - cfg.molecular_dynamics_stage.task_config.adios_xml_file = cfg.adios_xml_file - - reporter = ru.Reporter(name="radical.entk") - reporter.title(cfg.title) - - # Create Application Manager - try: - appman = AppManager( - hostname=os.environ["RMQ_HOSTNAME"], - port=int(os.environ["RMQ_PORT"]), - username=os.environ["RMQ_USERNAME"], - password=os.environ["RMQ_PASSWORD"], - ) - except KeyError: - raise ValueError( - "Invalid RMQ environment. Please see README.md for configuring environment." - ) - - num_nodes = compute_number_of_nodes(cfg) - - print(f"Required number of nodes: {num_nodes}") - - appman.resource_desc = { - "resource": cfg.resource, - "queue": cfg.queue, - "access_schema": cfg.schema_, - "walltime": cfg.walltime_min, - "project": cfg.project, - "cpus": cfg.cpus_per_node * cfg.hardware_threads_per_cpu * num_nodes, - "gpus": cfg.gpus_per_node * num_nodes, - } - - pipeline_manager = PipelineManager(cfg) - # Back up configuration directory - shutil.copytree(cfg.config_directory, cfg.experiment_directory / "etc") - - pipelines = pipeline_manager.generate_pipelines() - # Assign the workflow as a list of Pipelines to the Application Manager. - # All the pipelines in the list will execute concurrently. - appman.workflow = pipelines - - # Run the Application Manager - appman.run() diff --git a/src/models/__init__.py b/src/models/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/models/aae/__init__.py b/src/models/aae/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/models/aae/bin/lassen.sh b/src/models/aae/bin/lassen.sh deleted file mode 100755 index 4f78f6d..0000000 --- a/src/models/aae/bin/lassen.sh +++ /dev/null @@ -1,21 +0,0 @@ -#!/bin/bash - -cmd_params=$@ - -# important variables -export WORLD_SIZE=${OMPI_COMM_WORLD_SIZE} -export RANK=${OMPI_COMM_WORLD_RANK} -export LOCAL_RANK=${OMPI_COMM_WORLD_LOCAL_RANK} -export MASTER_PORT=29500 -export MASTER_ADDR=$(cat ${LSB_DJOB_HOSTFILE} | head -n2 | tail -n1) -export LC_ALL=en_US.utf-8 -export LANG=en_US.utf-8 -export WANDB_MODE=dryrun - -# determine gpu -enc_gpu=$(( ${LOCAL_RANK} )) - -# launch code -cmd="$cmd_params -E ${enc_gpu} -D ${enc_gpu} -G ${enc_gpu} --distributed" -echo ${cmd} -($cmd) \ No newline at end of file diff --git a/src/models/aae/bin/summit.sh b/src/models/aae/bin/summit.sh deleted file mode 100644 index 8247e56..0000000 --- a/src/models/aae/bin/summit.sh +++ /dev/null @@ -1,23 +0,0 @@ -#!/bin/bash - -cmd_params=$@ - -# important variables -export WORLD_SIZE=${OMPI_COMM_WORLD_SIZE} -export RANK=${OMPI_COMM_WORLD_RANK} -export LOCAL_RANK=${OMPI_COMM_WORLD_LOCAL_RANK} -export MASTER_PORT=29500 -export MASTER_ADDR=$(cat ${LSB_DJOB_HOSTFILE} | uniq | sort | grep -v batch | head -n1) -export LC_ALL=en_US.utf-8 -export LANG=en_US.utf-8 -export WANDB_MODE=dryrun - -# determine gpu -enc_gpu=$(( ${LOCAL_RANK} )) - -#echo "REPORT: rank:${RANK}, local_rank:${LOCAL_RANK} enc:${enc_gpu}" - -# launch code -cmd="$cmd_params -E ${enc_gpu} -D ${enc_gpu} -G ${enc_gpu}" --distributed -echo ${cmd} -($cmd) \ No newline at end of file diff --git a/src/models/aae/config.py b/src/models/aae/config.py deleted file mode 100644 index eb7a7c3..0000000 --- a/src/models/aae/config.py +++ /dev/null @@ -1,82 +0,0 @@ -from typing import List, Optional - -from deepdrivemd.config import MachineLearningTaskConfig - - -class AAEModelConfig(MachineLearningTaskConfig): - # Select the n most recent HDF5 files for training - last_n_h5_files: int = 10 - # Select k random HDF5 files to train on from previous DeepDriveMD iterations - k_random_old_h5_files: int = 0 - # Name of the dataset in the HDF5 file. - dataset_name: str = "point_cloud" - # Name of the RMSD data in the HDF5 file. - rmsd_name: str = "rmsd" - # Name of the fraction of contacts data in the HDF5 file. - fnc_name: str = "fnc" - # Number of input points in point cloud - #num_points: int = 3375 #DEBUG - num_points: int = 5 - # Number of features per point in addition to 3D coordinates - num_features: int = 0 - # Number of epochs to train during first iteration - initial_epochs: int = 10 - # Number of epochs to train on later iterations - epochs: int = 10 - # Training batch size - batch_size: int = 32 - - # Optimizer params - # PyTorch Optimizer name - optimizer_name: str = "Adam" - # Learning rate - optimizer_lr: float = 0.0001 - - # Model hyperparameters - # Latent dimension of the AAE - latent_dim: int = 64 - # Encoder filter sizes - encoder_filters: List[int] = [64, 128, 256, 256, 512] - # Encoder kernel sizes - encoder_kernel_sizes: List[int] = [5, 5, 3, 1, 1] - # Encoder dilation - encoder_dilation: List[int] = [1, 1, 1, 1, 1] - # Encoder padding - encoder_padding: List[int] = [2, 2, 0, 0, 0] - # Encoder stride - encoder_stride: List[int] = [1, 2, 1, 1, 1] - # Generator filter sizes - generator_filters: List[int] = [64, 128, 512, 1024] - # Discriminator filter sizes - discriminator_filters: List[int] = [512, 512, 128, 64] - encoder_relu_slope: float = 0.0 - generator_relu_slope: float = 0.0 - discriminator_relu_slope: float = 0.0 - use_encoder_bias: bool = True - use_generator_bias: bool = True - use_discriminator_bias: bool = True - # Mean of the prior distribution - noise_mu: float = 0.0 - # Standard deviation of the prior distribution - noise_std: float = 1.0 - # Hyperparameters weighting different elements of the loss - lambda_rec: float = 0.5 - lambda_gp: float = 10 - - # Training settings - # Saves embeddings every embed_interval'th epoch - embed_interval: int = 1 - # Saves tsne plots every tsne_interval'th epoch - tsne_interval: int = 5 - # For saving and plotting embeddings. Saves len(validation_set) / sample_interval points. - sample_interval: int = 20 - # Number of data loaders for training - num_data_workers: int = 0 - # String which specifies from where to feed the dataset. Valid choices are `storage` and `cpu-memory`. - dataset_location: str = "storage" - # Project name for wandb logging - wandb_project_name: Optional[str] = None - - -if __name__ == "__main__": - AAEModelConfig().dump_yaml("aae_template.yaml") diff --git a/src/models/aae/inference.py b/src/models/aae/inference.py deleted file mode 100644 index f7a9ef8..0000000 --- a/src/models/aae/inference.py +++ /dev/null @@ -1,123 +0,0 @@ -import itertools -from typing import TYPE_CHECKING, Any, Optional - -if TYPE_CHECKING: - import numpy.typing as npt - -import numpy as np -import torch # type: ignore[import] -from molecules.ml.datasets import PointCloudDataset # type: ignore[import] -from molecules.ml.unsupervised.point_autoencoder import AAE3dHyperparams # type: ignore[import] -from molecules.ml.unsupervised.point_autoencoder.aae import Encoder # type: ignore[import] -from torch.utils.data import DataLoader, Dataset, Subset # type: ignore[import] - -from deepdrivemd.models.aae.config import AAEModelConfig -from deepdrivemd.utils import PathLike, setup_mpi - - -def shard_dataset(dataset: Dataset, comm_size: int, comm_rank: int) -> Dataset: - - fullsize = len(dataset) - chunksize = fullsize // comm_size - start = comm_rank * chunksize - end = start + chunksize - subset_indices = list(range(start, end)) - # deal with remainder - for idx, i in enumerate(range(comm_size * chunksize, fullsize)): - if idx == comm_rank: - subset_indices.append(i) - # split the set - dataset = Subset(dataset, subset_indices) - - return dataset - - -def generate_embeddings( - model_cfg_path: PathLike, - h5_file: PathLike, - model_weights_path: PathLike, - inference_batch_size: int, - encoder_gpu: int, - comm: Optional[Any] = None, -) -> "npt.ArrayLike": - - comm_size, comm_rank = setup_mpi(comm) - - model_cfg = AAEModelConfig.from_yaml(model_cfg_path) - - model_hparams = AAE3dHyperparams( - num_features=model_cfg.num_features, - encoder_filters=model_cfg.encoder_filters, - encoder_kernel_sizes=model_cfg.encoder_kernel_sizes, - encoder_dilation=model_cfg.encoder_dilation, - encoder_padding=model_cfg.encoder_padding, - encoder_stride=model_cfg.encoder_stride, - generator_filters=model_cfg.generator_filters, - discriminator_filters=model_cfg.discriminator_filters, - latent_dim=model_cfg.latent_dim, - encoder_relu_slope=model_cfg.encoder_relu_slope, - generator_relu_slope=model_cfg.generator_relu_slope, - discriminator_relu_slope=model_cfg.discriminator_relu_slope, - use_encoder_bias=model_cfg.use_encoder_bias, - use_generator_bias=model_cfg.use_generator_bias, - use_discriminator_bias=model_cfg.use_discriminator_bias, - noise_mu=model_cfg.noise_mu, - noise_std=model_cfg.noise_std, - lambda_rec=model_cfg.lambda_rec, - lambda_gp=model_cfg.lambda_gp, - ) - - encoder = Encoder( - model_cfg.num_points, - model_cfg.num_features, - model_hparams, - str(model_weights_path), - ) - - dataset = PointCloudDataset( - str(h5_file), - "point_cloud", - "rmsd", - "fnc", - model_cfg.num_points, - model_hparams.num_features, - split="train", - split_ptc=1.0, - normalize="box", - cms_transform=False, - ) - - # shard the dataset - if comm_size > 1: - dataset = shard_dataset(dataset, comm_size, comm_rank) - - # Put encoder on specified CPU/GPU - device = torch.device(f"cuda:{encoder_gpu}") - encoder.to(device) - - # create data loader - data_loader = DataLoader( - dataset, - batch_size=inference_batch_size, - drop_last=False, - shuffle=False, - pin_memory=True, - num_workers=0, - ) - - # Collect embeddings (requires shuffle=False) - embeddings = [] - for i, (data, *_) in enumerate(data_loader): - data = data.to(device) - embeddings.append(encoder.encode(data).cpu().numpy()) - if (comm_rank == 0) and (i % 100 == 0): - print(f"Batch {i}/{len(data_loader)}") - - if comm_size > 1: - # gather results - embeddings = comm.allgather(embeddings) # type: ignore[union-attr] - embeddings = list(itertools.chain.from_iterable(embeddings)) - - embeddings = np.concatenate(embeddings) # type: ignore[no-untyped-call] - - return embeddings diff --git a/src/models/aae/train.py b/src/models/aae/train.py deleted file mode 100644 index 352fe84..0000000 --- a/src/models/aae/train.py +++ /dev/null @@ -1,413 +0,0 @@ -import argparse -import json -import os -import sys -from pathlib import Path -from typing import List, Optional, Tuple - -# torch stuff -import torch # type: ignore[import] -import torch.distributed as dist # type: ignore[import] -import wandb # type: ignore[import] -from molecules.ml.callbacks import ( # type: ignore[import] - CheckpointCallback, - LossCallback, - SaveEmbeddingsCallback, - TSNEPlotCallback, -) - -# molecules stuff -from molecules.ml.hyperparams import OptimizerHyperparams # type: ignore[import] -from molecules.ml.unsupervised.point_autoencoder import AAE3d, AAE3dHyperparams # type: ignore[import] -from torch.nn.parallel import DistributedDataParallel as DDP # type: ignore[import] -from torch.utils.data import DataLoader, Subset # type: ignore[import] - -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.data.utils import get_virtual_h5_file -from deepdrivemd.models.aae.config import AAEModelConfig -from deepdrivemd.selection.latest.select_model import get_model_path - - -def setup_wandb( - cfg: AAEModelConfig, model: torch.nn.Module, comm_rank: int -) -> Optional[wandb.config]: - # Setup wandb - wandb_config = None - if (comm_rank == 0) and (cfg.wandb_project_name is not None): - wandb.init( - project=cfg.wandb_project_name, - name=cfg.model_tag, - id=cfg.model_tag, - dir=cfg.output_path.as_posix(), - config=cfg.dict(), - resume=False, - ) - wandb_config = wandb.config - # watch model - wandb.watch(model) - - return wandb_config - - -def get_h5_training_file(cfg: AAEModelConfig) -> Tuple[Path, List[str]]: - # Collect training data - api = DeepDriveMD_API(cfg.experiment_directory) - md_data = api.get_last_n_md_runs() - all_h5_files = md_data["data_files"] - - virtual_h5_path, h5_files = get_virtual_h5_file( - output_path=cfg.output_path, - all_h5_files=all_h5_files, - last_n=cfg.last_n_h5_files, - k_random_old=cfg.k_random_old_h5_files, - virtual_name=f"virtual_{cfg.model_tag}", - node_local_path=cfg.node_local_path, - ) - - return virtual_h5_path, h5_files - - -def get_init_weights(cfg: AAEModelConfig) -> Optional[str]: - if cfg.init_weights_path is None: - - if cfg.stage_idx == 0: - # Case for first iteration with no pretrained weights - return None - - token = get_model_path( - stage_idx=cfg.stage_idx - 1, experiment_dir=cfg.experiment_directory - ) - if token is None: - # Case for no pretrained weights - return None - else: - # Case where model selection has run before - _, init_weights = token - else: - # Case for pretrained weights - init_weights = cfg.init_weights_path - - return init_weights.as_posix() - - -def get_dataset( - dataset_location: str, - input_path: Path, - dataset_name: str, - rmsd_name: str, - fnc_name: str, - num_points: int, - num_features: int, - split: str, - shard_id: int = 0, - num_shards: int = 1, - normalize: str = "box", - cms_transform: bool = False, -) -> torch.utils.data.Dataset: - - if dataset_location == "storage": - # Load training and validation data - from molecules.ml.datasets import PointCloudDataset # type: ignore[import] - - dataset = PointCloudDataset( - input_path.as_posix(), - dataset_name, - rmsd_name, - fnc_name, - num_points, - num_features, - split=split, - normalize=normalize, - cms_transform=cms_transform, - ) - - # split across nodes - if num_shards > 1: - chunksize = len(dataset) // num_shards - dataset = Subset( - dataset, list(range(chunksize * shard_id, chunksize * (shard_id + 1))) - ) - - elif dataset_location == "cpu-memory": - from molecules.ml.datasets import PointCloudInMemoryDataset - - dataset = PointCloudInMemoryDataset( - input_path.as_posix(), - dataset_name, - rmsd_name, - fnc_name, - num_points, - num_features, - split=split, - shard_id=shard_id, - num_shards=num_shards, - normalize=normalize, - cms_transform=cms_transform, - ) - - else: - raise ValueError(f"Invalid option for dataset_location: {dataset_location}") - - return dataset - - -def main( - cfg: AAEModelConfig, - encoder_gpu: int, - generator_gpu: int, - discriminator_gpu: int, - distributed: bool, -) -> None: - - # Do some scaffolding for DDP - comm_rank = 0 - comm_size = 1 - comm = None - if distributed and dist.is_available(): - - import mpi4py # type: ignore[import] - - mpi4py.rc.initialize = False - from mpi4py import MPI # noqa: E402 - - MPI.Init_thread() - - # get communicator: duplicate from comm world - comm = MPI.COMM_WORLD.Dup() - - # now match ranks between the mpi comm and the nccl comm - os.environ["WORLD_SIZE"] = str(comm.Get_size()) - os.environ["RANK"] = str(comm.Get_rank()) - - # init pytorch - dist.init_process_group(backend="nccl", init_method="env://") - comm_rank = dist.get_rank() - comm_size = dist.get_world_size() - - model_hparams = AAE3dHyperparams( - num_features=cfg.num_features, - encoder_filters=cfg.encoder_filters, - encoder_kernel_sizes=cfg.encoder_kernel_sizes, - encoder_dilation=cfg.encoder_dilation, - encoder_padding=cfg.encoder_padding, - encoder_stride=cfg.encoder_stride, - generator_filters=cfg.generator_filters, - discriminator_filters=cfg.discriminator_filters, - latent_dim=cfg.latent_dim, - encoder_relu_slope=cfg.encoder_relu_slope, - generator_relu_slope=cfg.generator_relu_slope, - discriminator_relu_slope=cfg.discriminator_relu_slope, - use_encoder_bias=cfg.use_encoder_bias, - use_generator_bias=cfg.use_generator_bias, - use_discriminator_bias=cfg.use_discriminator_bias, - noise_mu=cfg.noise_mu, - noise_std=cfg.noise_std, - lambda_rec=cfg.lambda_rec, - lambda_gp=cfg.lambda_gp, - ) - - # optimizers - optimizer_hparams = OptimizerHyperparams( - name=cfg.optimizer_name, - hparams={"lr": cfg.optimizer_lr} - ) - - # Save hparams to disk and load initial weights and create virtual h5 file - if comm_rank == 0: - cfg.output_path.mkdir(exist_ok=True) - model_hparams.save(cfg.output_path.joinpath("model-hparams.json")) - optimizer_hparams.save(cfg.output_path.joinpath("optimizer-hparams.json")) - init_weights = get_init_weights(cfg) - h5_file, h5_files = get_h5_training_file(cfg) - with open(cfg.output_path.joinpath("virtual-h5-metadata.json"), "w") as f: - json.dump(h5_files, f) - - else: - init_weights, h5_file = None, None # type: ignore[assignment] - - if comm_size > 1: - init_weights = comm.bcast(init_weights, 0) # type: ignore[union-attr] - h5_file = comm.bcast(h5_file, 0) # type: ignore[union-attr] - - # construct model - aae = AAE3d( - cfg.num_points, - cfg.num_features, - cfg.batch_size, - model_hparams, - optimizer_hparams, - #HVD gpu=(encoder_gpu, generator_gpu, discriminator_gpu), - gpu=None, - init_weights=init_weights, - ) - - #HVD enc_device = torch.device(f"cuda:{encoder_gpu}") - if comm_size > 1: - #HVD if (encoder_gpu == generator_gpu) and (encoder_gpu == discriminator_gpu): - #HVD aae.model = DDP( - #HVD aae.model, device_ids=[enc_device], output_device=enc_device - #HVD ) - #HVD else: - aae.model = DDP(aae.model, device_ids=None, output_device=None) - - # set global default device - #HVD torch.cuda.set_device(enc_device.index) - torch.cuda.device(None) - - if comm_rank == 0: - # Diplay model - print(aae) - - assert isinstance(h5_file, Path) - # set up dataloaders - train_dataset = get_dataset( - cfg.dataset_location, - h5_file, - cfg.dataset_name, - cfg.rmsd_name, - cfg.fnc_name, - cfg.num_points, - cfg.num_features, - split="train", - shard_id=comm_rank, - num_shards=comm_size, - normalize="box", - cms_transform=False, - ) - - train_loader = DataLoader( - train_dataset, - batch_size=cfg.batch_size, - shuffle=True, - drop_last=True, - pin_memory=True, - num_workers=cfg.num_data_workers, - ) - - valid_dataset = get_dataset( - cfg.dataset_location, - h5_file, - cfg.dataset_name, - cfg.rmsd_name, - cfg.fnc_name, - cfg.num_points, - cfg.num_features, - split="valid", - shard_id=comm_rank, - num_shards=comm_size, - normalize="box", - cms_transform=False, - ) - - valid_loader = DataLoader( - valid_dataset, - batch_size=cfg.batch_size, - shuffle=True, - drop_last=True, - pin_memory=True, - num_workers=cfg.num_data_workers, - ) - - print( - f"Having {len(train_dataset)} training and {len(valid_dataset)} validation samples." - ) - - wandb_config = setup_wandb(cfg, aae.model, comm_rank) - - # Optional callbacks - loss_callback = LossCallback( - cfg.output_path.joinpath("loss.json"), wandb_config=wandb_config, mpi_comm=comm - ) - - checkpoint_callback = CheckpointCallback( - out_dir=cfg.output_path.joinpath("checkpoint"), mpi_comm=comm - ) - - save_callback = SaveEmbeddingsCallback( - out_dir=cfg.output_path.joinpath("embeddings"), - interval=cfg.embed_interval, - sample_interval=cfg.sample_interval, - mpi_comm=comm, - ) - - # TSNEPlotCallback requires SaveEmbeddingsCallback to run first - tsne_callback = TSNEPlotCallback( - out_dir=cfg.output_path.joinpath("embeddings"), - projection_type="3d", - target_perplexity=100, - interval=cfg.tsne_interval, - tsne_is_blocking=True, - wandb_config=wandb_config, - mpi_comm=comm, - ) - - # Train model with callbacks - callbacks = [ - loss_callback, - checkpoint_callback, - save_callback, - tsne_callback, - ] - - # Optionaly train for a different number of - # epochs on the first DDMD iterations - if cfg.stage_idx == 0: - epochs = cfg.initial_epochs - else: - epochs = cfg.epochs - - aae.train(train_loader, valid_loader, epochs, callbacks=callbacks) - - # Save loss history to disk. - if comm_rank == 0: - loss_callback.save(cfg.output_path.joinpath("loss.json")) - - # Save final model weights to disk - aae.save_weights( - cfg.output_path.joinpath("encoder-weights.pt"), - cfg.output_path.joinpath("generator-weights.pt"), - cfg.output_path.joinpath("discriminator-weights.pt"), - ) - - # Output directory structure - # out_path - # ├── cfg.output_path - # │ ├── checkpoint - # │ │ ├── epoch-1-20200606-125334.pt - # │ │ └── epoch-2-20200606-125338.pt - # │ ├── encoder-weights.pt - # │ ├── generator-weights.pt - # │ ├── discriminator-weights.pt - # │ ├── loss.json - # │ ├── model-hparams.json - # │ └── optimizer-hparams.json - - -def parse_args() -> argparse.Namespace: - parser = argparse.ArgumentParser() - parser.add_argument( - "-c", "--config", help="YAML config file", type=str, required=True - ) - parser.add_argument( - "-E", "--encoder_gpu", help="GPU to place encoder", type=int, default=0 - ) - parser.add_argument( - "-G", "--generator_gpu", help="GPU to place generator", type=int, default=0 - ) - parser.add_argument( - "-D", "--decoder_gpu", help="GPU to place decoder", type=int, default=0 - ) - parser.add_argument( - "--distributed", action="store_true", help="Enable distributed training" - ) - args = parser.parse_args() - return args - - -if __name__ == "__main__": - # set forkserver (needed for summit runs, may cause errors elsewhere) - # torch.multiprocessing.set_start_method('forkserver', force = True) - - args = parse_args() - cfg = AAEModelConfig.from_yaml(args.config) - main(cfg, args.encoder_gpu, args.generator_gpu, args.decoder_gpu, args.distributed) diff --git a/src/models/aae_stream/__init__.py b/src/models/aae_stream/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/models/aae_stream/config.py b/src/models/aae_stream/config.py deleted file mode 100644 index 17c0850..0000000 --- a/src/models/aae_stream/config.py +++ /dev/null @@ -1,120 +0,0 @@ -from pathlib import Path -from typing import List, Optional - -from mdlearn.utils import BaseSettings, OptimizerConfig - - -class Point3dAAEConfig(BaseSettings): - # File paths - # Path to adois file - input_path: Path = Path( - "/p/gpfs1/yakushin/Outputs/305t/molecular_dynamics_runs/stage0000/task0000/0/trajectory.bp" - ) - # Path to directory where trainer should write to (cannot already exist) - output_path: Path = Path("TODO") - # Optionally resume training from a checkpoint file - resume_checkpoint: Optional[Path] = None - - # Number of points per sample. Should be smaller or equal - # than the total number of points. - num_points: int = 200 - # Number of additional per-point features in addition to xyz coords. - num_features: int = 0 - # Name of scalar datasets. - scalar_dset_names: List[str] = [] - # If True, subtract center of mass from batch and shift and scale - # batch by the full dataset statistics. - cms_transform: bool = True - # Sets requires_grad torch.Tensor parameter for scalars specified - # by scalar_dset_names. Set to True, to use scalars for multi-task - # learning. If scalars are only required for plotting, then set it as False. - scalar_requires_grad: bool = False - # Percentage of data to be used as training data after a random split. - split_pct: float = 0.8 - # Random seed for shuffling train/validation data - seed: int = 333 - # Whether or not to shuffle train/validation data - shuffle: bool = True - # Number of epochs to train - epochs: int = 30 - # Training batch size - batch_size: int = 32 - # Pretrained model weights - init_weights: Optional[str] = "" - # AE (encoder/decoder) optimizer params - ae_optimizer: OptimizerConfig = OptimizerConfig(name="Adam", hparams={"learning_rate": 0.0001}) - # Discriminator optimizer params - disc_optimizer: OptimizerConfig = OptimizerConfig( - name="Adam", hparams={"learning_rate": 0.0001} - ) - - # Model hyperparameters - latent_dim: int = 16 - encoder_bias: bool = True - encoder_relu_slope: float = 0.0 - encoder_filters: List[int] = [64, 128, 256, 256, 512] - encoder_kernels: List[int] = [5, 5, 3, 1, 1] - decoder_bias: bool = True - decoder_relu_slope: float = 0.0 - decoder_affine_widths: List[int] = [64, 128, 512, 1024] - discriminator_bias: bool = True - discriminator_relu_slope: float = 0.0 - discriminator_affine_widths: List[int] = [512, 128, 64] - # Mean of the prior distribution - noise_mu: float = 0.0 - # Standard deviation of the prior distribution - noise_std: float = 1.0 - # Releative weight to put on gradient penalty - lambda_gp: float = 10.0 - # Releative weight to put on reconstruction loss - lambda_rec: float = 0.5 - - # Training settings - # Number of data loaders for training - num_data_workers: int = 16 - # Number of samples loaded in advance by each worker - prefetch_factor: int = 2 - # Log checkpoint file every `checkpoint_log_every` epochs - # checkpoint_log_every: int = 1 - # Log latent space plot `plot_log_every` epochs - # plot_log_every: int = 1 - - # Validation settings - # Method used to visualize latent space - # plot_method: str = "TSNE" - # Number of validation samples to run visualization on - # plot_n_samples: Optional[int] = None - - # minimum number of steps in each aggregated file before the model is trained - min_step_increment: int = 5000 - # take up to this number of samples from each aggregated file to train the model - max_steps: int = 8000 - # if the loss is greater than this, do not publish the model, retrain the model from scratch at next iteration regardless of reinit value - max_loss: int = 10000 - # number of aggregators - num_agg: int = 12 - # if num_agg adios aggregated files are not available, sleep for timeout1 before trying again - timeout1: int = 30 - # if less than min_step_increment is available in each aggregated file, sleep for timeout2 before trying again - timeout2: int = 10 - # directory with aggregated tasks subdirectories - agg_dir: Path = Path() - # where to publish a trained model for the outlier search to pick up - published_model_dir: Path - # temporary directory with model checkpoints - checkpoint_dir: Path - # adios xml configuration file for aggregators - adios_xml_agg: Path - adios_xml_agg_4ml: Path - # retrain the model from scratch at each iteration or start with the previously trained model - reinit: bool = False - use_model_checkpoint = True - read_batch: int = 10000 - - experiment_directory: Path - init_weights_path: Path - model: str = "aae" - model_tag: str = "aae" - node_local_path: Path = Path("/tmp") - stage_idx: int = 0 - task_idx: int = 0 diff --git a/src/models/aae_stream/train.py b/src/models/aae_stream/train.py deleted file mode 100644 index 51f6c22..0000000 --- a/src/models/aae_stream/train.py +++ /dev/null @@ -1,361 +0,0 @@ -import glob -import itertools -import subprocess -import sys -import time -from collections import defaultdict -from typing import List, Tuple - -import numpy as np -import torch -from mdlearn.data.utils import train_valid_split -from mdlearn.nn.models.aae.point_3d_aae import AAE3d -from mdlearn.utils import get_torch_optimizer, log_checkpoint -from torchsummary import summary -from tqdm import tqdm - -from deepdrivemd.data.stream.aggregator_reader import Streams, StreamVariable -from deepdrivemd.data.stream.enumerations import DataStructure -from deepdrivemd.models.aae_stream.config import Point3dAAEConfig -from deepdrivemd.models.aae_stream.utils import PointCloudDatasetInMemory -from deepdrivemd.utils import Timer, parse_args, timer - - -def wait_for_input(cfg: Point3dAAEConfig) -> List[str]: - """Wait for the expected number of sufficiently large agg.bp files to be produced. - - Returns - ------- - List[str] - List of paths to aggregated files. - """ - - # Wait for enough bpfiles - while True: - bpfiles = glob.glob(str(cfg.agg_dir / "*/*/agg_4ml.bp*")) - print(bpfiles) - sys.stdout.flush() - if len(bpfiles) == cfg.num_agg: - break - print(f"Waiting for {cfg.num_agg} agg.bp files") - time.sleep(cfg.timeout1) - - print(f"bpfiles = {bpfiles}") - - time.sleep(60 * 5) - return bpfiles - - -def next_input( - cfg: Point3dAAEConfig, streams: Streams -) -> Tuple[np.ndarray, np.ndarray]: - """Read the next batch of contact maps from aggregated files. - - Returns - ------- - Tuple[np.ndarray, np.ndarray] - Training and validation sets. - """ - while True: - with Timer("ml_read"): - - z = streams.next() - print("z=", z) - print("type(z)=", type(z)) - pc_data_input = z["point_cloud"] - - print("type(pc_data_input) = ", type(pc_data_input)) - print("dir(pc_data_input) = ", dir(pc_data_input)) - print("pc_data_input.shape = ", pc_data_input.shape) - print("pc_data_input.dtype = ", pc_data_input.dtype) - - if pc_data_input.shape[0] > 100: - break - print("Sleeping") - time.sleep(60) - - sys.stdout.flush() - pc_data_input = np.transpose(pc_data_input, [0, 2, 1]) - - dataset = PointCloudDatasetInMemory( - data=pc_data_input, - cms_transform=cfg.cms_transform, - ) - print(dataset[0]["X"].shape) - print("Dataset size:", len(dataset)) - - train_loader, valid_loader = train_valid_split( - dataset, - cfg.split_pct, - batch_size=cfg.batch_size, - shuffle=cfg.shuffle, - num_workers=cfg.num_data_workers, - drop_last=True, - pin_memory=True, - ) - - print("len(train_loader) = ", len(train_loader)) - print("len(valid_loader) = ", len(valid_loader)) - print("cfg.split_pct = ", cfg.split_pct) - - return train_loader, valid_loader - - -def build_model(cfg: Point3dAAEConfig): - device = torch.device("cuda:0") - with Timer("ml_aae"): - model = AAE3d( - cfg.num_points, - cfg.num_features, - cfg.latent_dim, - cfg.encoder_bias, - cfg.encoder_relu_slope, - cfg.encoder_filters, - cfg.encoder_kernels, - cfg.decoder_bias, - cfg.decoder_relu_slope, - cfg.decoder_affine_widths, - cfg.discriminator_bias, - cfg.discriminator_relu_slope, - cfg.discriminator_affine_widths, - ) - model = model.to(device) - - summary(model, (3 + cfg.num_features, cfg.num_points)) - - disc_optimizer = get_torch_optimizer( - cfg.disc_optimizer.name, - cfg.disc_optimizer.hparams, - model.discriminator.parameters(), - ) - ae_optimizer = get_torch_optimizer( - cfg.ae_optimizer.name, - cfg.ae_optimizer.hparams, - itertools.chain(model.encoder.parameters(), model.decoder.parameters()), - ) - - return model, disc_optimizer, ae_optimizer, device - - -def train( - train_loader, - model: AAE3d, - disc_optimizer, - ae_optimizer, - device, - cfg: Point3dAAEConfig, -): - avg_disc_loss, avg_ae_loss = 0.0, 0.0 - # Create prior noise buffer array - noise = torch.FloatTensor(cfg.batch_size, cfg.latent_dim).to(device) - - for batch in tqdm(train_loader): - - x = batch["X"].to(device, non_blocking=True) - - # Encoder/Discriminator forward - # Get latent vectors - z = model.encode(x) - # Get prior noise - noise.normal_(mean=cfg.noise_mu, std=cfg.noise_std) - # Get discriminator logits - real_logits = model.discriminate(noise) - fake_logits = model.discriminate(z) - # Discriminator loss - critic_loss = model.critic_loss(real_logits, fake_logits) - gp_loss = model.gp_loss(noise, z) - disc_loss = critic_loss + cfg.lambda_gp * gp_loss - - # Discriminator backward - disc_optimizer.zero_grad() - model.discriminator.zero_grad() - disc_loss.backward(retain_graph=True) - disc_optimizer.step() - - # Decoder forward - recon_x = model.decode(z) - recon_loss = model.recon_loss(x, recon_x) - - # Discriminator forward - fake_logit = model.discriminate(z) - decoder_loss = model.decoder_loss(fake_logit) - ae_loss = decoder_loss + cfg.lambda_rec * recon_loss - - # AE backward - ae_optimizer.zero_grad() - model.decoder.zero_grad() - model.encoder.zero_grad() - ae_loss.backward() - - # Collect loss - avg_disc_loss += disc_loss.item() - avg_ae_loss += ae_loss.item() - - avg_disc_loss /= len(train_loader) - avg_ae_loss /= len(train_loader) - - return avg_disc_loss, avg_ae_loss - - -def validate(valid_loader, model: AAE3d, device, cfg: Point3dAAEConfig): - scalars = defaultdict(list) - latent_vectors = [] - avg_ae_loss = 0.0 - for batch in valid_loader: - x = batch["X"].to(device) - z = model.encode(x) - recon_x = model.decode(z) - avg_ae_loss += model.recon_loss(x, recon_x).item() - - # Collect latent vectors for visualization - latent_vectors.append(z.cpu().numpy()) - for name in cfg.scalar_dset_names: - scalars[name].append(batch[name].cpu().numpy()) - - avg_ae_loss /= len(valid_loader) - latent_vectors = np.concatenate(latent_vectors) - scalars = {name: np.concatenate(scalar) for name, scalar in scalars.items()} - - return avg_ae_loss, latent_vectors, scalars - - -def train_model( - model, - ae_optimizer, - disc_optimizer, - train_loader, - valid_loader, - device, - cfg: Point3dAAEConfig, -): - best_valid_loss = np.inf - for epoch in range(0, cfg.epochs): - train_start = time.time() - # Training - model.train() - avg_train_disc_loss, avg_train_ae_loss = train( - train_loader, model, disc_optimizer, ae_optimizer, device, cfg - ) - - print( - "====> Epoch: {} Train:\tAvg Disc loss: {:.4f}\tAvg AE loss: {:.4f}\tTime: {:.4f}".format( - epoch, avg_train_disc_loss, avg_train_ae_loss, time.time() - train_start - ) - ) - - valid_start = time.time() - # Validation - model.eval() - with torch.no_grad(): - avg_valid_recon_loss, _, _ = validate(valid_loader, model, device, cfg) - - print( - "====> Epoch: {} Valid:\tAvg recon loss: {:.4f}\tTime: {:.4f}\n".format( - epoch, avg_valid_recon_loss, time.time() - valid_start - ) - ) - - # Log checkpoint - if avg_valid_recon_loss < best_valid_loss: - best_valid_loss = avg_valid_recon_loss - log_checkpoint( - cfg.checkpoint_dir / "best.pt", - epoch, - model, - {"disc_optimizer": disc_optimizer, "ae_optimizer": ae_optimizer}, - ) - print( - f"Logging checkpoint at epoch {epoch} with validation loss {best_valid_loss}" - ) - - print("Total time: {:.4f}".format(time.time() - train_start)) - - -def main(cfg: Point3dAAEConfig): - - torch.manual_seed(cfg.seed) - np.random.seed(cfg.seed) - torch.set_num_threads(cfg.num_data_workers) - - print(subprocess.getstatusoutput("hostname")[1]) - sys.stdout.flush() - - cfg.checkpoint_dir = cfg.output_path / "checkpoints" - cfg.checkpoint_dir.mkdir(exist_ok=True) - - cfg.published_model_dir = cfg.output_path / "published_model" - cfg.published_model_dir.mkdir(exist_ok=True) - - with Timer("ml_wait_for_input"): - bpfiles = wait_for_input(cfg) - - print("In main, bpfiles = ", bpfiles) - print(cfg.adios_xml_agg) - print(cfg.max_steps) - print(cfg.read_batch) - sys.stdout.flush() - - bpfiles = list(map(lambda x: x.replace(".sst", ""), bpfiles)) - print("In main, after map, bpfiles = ", bpfiles) - - streams = Streams( - bpfiles, - [StreamVariable("point_cloud", np.float32, DataStructure.array)], - lastN=cfg.max_steps, - config=cfg.adios_xml_agg_4ml, - batch=cfg.read_batch, - stream_name="AggregatorOutput4ml", - # change for different aggregators - ) - - model, disc_optimizer, ae_optimizer, device = build_model(cfg) - - # Infinite loop of AAE training - # After training iteration, publish the model in the directory - # from which it is picked up by outlier search - for i in itertools.count(0): - timer("ml_iteration", 1) - print(f"ML iteration {i}") - train_loader, valid_loader = next_input(cfg, streams) - - best_model_path = cfg.published_model_dir / "best.pt" - if i > 0: - checkpoint = torch.load(str(best_model_path), map_location="cpu") - print("type(checkpoint)=", type(checkpoint)) - print("dir(checkpoint)=", dir(checkpoint)) - print("checkpoint.keys() = ", checkpoint.keys()) - epoch = checkpoint["epoch"] - model.load_state_dict(checkpoint["model_state_dict"]) - ae_optimizer.load_state_dict(checkpoint["ae_optimizer_state_dict"]) - disc_optimizer.load_state_dict(checkpoint["disc_optimizer_state_dict"]) - model = model.to(device) - print(f"Loaded checkpoint from previous iteration at epoch: {epoch}") - - with Timer("ml_train"): - train_model( - model, - ae_optimizer, - disc_optimizer, - train_loader, - valid_loader, - device, - cfg, - ) - - checkpoint_path = cfg.checkpoint_dir / "best.pt" - - if checkpoint_path.exists(): - subprocess.getstatusoutput( - f"mv {checkpoint_path} {cfg.published_model_dir}/" - ) - - print("=" * 30) - timer("ml_iteration", -1) - - -if __name__ == "__main__": - args = parse_args() - cfg = Point3dAAEConfig.from_yaml(args.config) - - print(cfg) - main(cfg) diff --git a/src/models/aae_stream/utils.py b/src/models/aae_stream/utils.py deleted file mode 100644 index d9c7a3c..0000000 --- a/src/models/aae_stream/utils.py +++ /dev/null @@ -1,124 +0,0 @@ -from pathlib import Path -from typing import Dict - -import adios2 -import numpy as np -import torch -from torch.utils.data import Dataset - - -class CenterOfMassTransform: - def __init__(self, data: np.ndarray) -> None: - """Computes center of mass transformation - Parameters - ---------- - data : np.ndarray - Dataset of positions with shape (num_examples, 3, num_points). - """ - - # Center of mass over points - cms = np.mean(data.astype(np.float64), axis=2, keepdims=True).astype(np.float32) - # Scalar bias and scale normalization factors - self.bias: float = (data - cms).min() - self.scale: float = 1.0 / ((data - cms).max() - self.bias) - - def transform(self, x: np.ndarray) -> np.ndarray: - """Normalize example by bias and scale factors - Parameters - ---------- - x : np.ndarray - Data to transform shape (3, num_points). Modifies :obj:`x`. - Returns - ------- - np.ndarray - The transformed data - Raises - ------ - ValueError - If NaN encountered in input - """ - x -= np.mean(x, axis=1, keepdims=True) - - if np.any(np.isnan(x)): - raise ValueError("NaN encountered in input.") - - # Normalize - x = (x - self.bias) * self.scale - return x - - -class PointCloudDatasetInMemory(Dataset): - """ - PyTorch Dataset class to load point cloud data. Optionally, uses HDF5 - files to only read into memory what is necessary for one batch. - """ - - def __init__( - self, - data: np.ndarray, - scalars: Dict[str, np.ndarray] = {}, - cms_transform: bool = False, - scalar_requires_grad: bool = False, - ): - """ - Parameters - ---------- - data : np.ndarray - Dataset of positions with shape (num_examples, 3, num_points) - scalars : Dict[str, np.ndarray], default={} - Dictionary of scalar arrays. For instance, the root mean squared - deviation (RMSD) for each feature vector can be passed via - :obj:`{"rmsd": np.array(...)}`. The dimension of each scalar array - should match the number of input feature vectors N. - cms_transform: bool - If True, subtract center of mass from batch and shift and scale - batch by the full dataset statistics. - scalar_requires_grad : bool - Sets requires_grad torch.Tensor parameter for scalars specified by - :obj:`scalar_dset_names`. Set to True, to use scalars for learning. - If scalars are only required for plotting, then set it as False. - """ - self.data = data - self.scalars = scalars - self.cms_transform = cms_transform - self.scalar_requires_grad = scalar_requires_grad - - if self.cms_transform: - self.transform = CenterOfMassTransform(self.data) - - def __len__(self) -> int: - return len(self.data) - - def __getitem__(self, idx: int) -> Dict[str, torch.Tensor]: - - data = self.data[idx].copy() # shape (3, num_points) - - # CMS subtract - if self.cms_transform: - data = self.transform.transform(data) - - sample = {"X": torch.from_numpy(data)} - # Add scalars - for name, dset in self.scalars.items(): - sample[name] = torch.tensor( - dset[idx], requires_grad=self.scalar_requires_grad - ) - return sample - - -def read_adios_file(input_path: Path): - with adios2.open(str(input_path), "r") as fr: - n = fr.steps() - - shape = list( - map( - int, - fr.available_variables()["point_cloud"]["Shape"] - .replace(",", "") - .split(), - ) - ) - - points = fr.read("point_cloud", [0, 0], shape, 0, n) - - return points diff --git a/src/models/deepmd/README.md b/src/models/deepmd/README.md deleted file mode 100644 index 9f03161..0000000 --- a/src/models/deepmd/README.md +++ /dev/null @@ -1,14 +0,0 @@ -# DeePMD - -DeePMD is a neural network potential for molecular dynamics force fields. -The training capability can be accessed through a separate executable `dp`. -The force field needs to be accessed through a molecular dynamics code such -as LAMMPS[^1] or ASE[^2]. - -The DeePMD code is accessible on GitHub[^3]. -DeePMD also has a tutorial[^4]. - -[^1]: "LAMMPS packages" https://www.lammps.org/external.html -[^2]: "ASE Calculators" https://wiki.fysik.dtu.dk/ase/ase/calculators/calculators.html -[^3]: "deepmd-kit" https://github.com/deepmodeling/deepmd-kit -[^4]: "Princeton Deep Modeling for Molecular Simulation" https://github.com/CSIprinceton/workshop-july-2023 diff --git a/src/models/deepmd/deepmd.py b/src/models/deepmd/deepmd.py deleted file mode 100644 index 5debdf7..0000000 --- a/src/models/deepmd/deepmd.py +++ /dev/null @@ -1,270 +0,0 @@ -''' -Defined the setup to run the DeePMD training and MD - -The training data was generated by NWChem and collected using ASE. -Now we need to train the DeePMD force field on the data. Subsequently -we can use the force field inside LAMMPS to run MD. - -In order to accomplish the actions listed above we need: - - Generate the input file for `dp` which is written in JSON - - Run `dp train` to train the model - - Compress the model -''' - -import json -import os -import glob -import subprocess -import sys -from typing import List -from os import PathLike -from pathlib import Path -from deepdrivemd.config import DeePMDTaskConfig - -class DeePMDInput(DeePMDTaskConfig): - deepmd: dict = { - "model" : { - "type_map" : ["h", "he", "li", "be", "b", "c", "n", "o", "f", "ne", - "na", "mg", "al", "si", "p", "s", "cl", "ar", - "k", "ca", "sc", "ti", "v", "cr", "mn", "fe", "co", "ni", - "cu", "zn", "ga", "ge", "as", "se", "br", "kr", - "rb", "sr", "y", "zr", "nb", "mo", "tc", "ru", "rh", "pd", - "ag", "cd", "in", "sn", "sb", "te", "i", "xe", - "cs", "ba", "la", "ce", "pr", "nd", "pm", "sm", "eu", "gd", - "tb", "dy", "ho", "er", "tm", "yb", "lu", "hf", "ta", "w", - "re", "os", "ir", "pt", "au", "hg", "tl", "pb", "bi", "po", - "at", "rn", - "fr", "ra", "ac", "th", "pa", "u", "np", "pu", "am", "cm", - "bk", "cf", "es", "fm", "md", "no", "lr", "rf", "db", "sg", - "bh", "hs", "mt", "ds", "rg", "cn", "nh", "fl", "mc", "lv", - "ts", "og"], # will be replaced by a compressed list - "descriptor": { - "type" : "se_a", # was se_e3 but there were problems so try something from a working example - "sel" : "auto", # is this new? - "rcut_smth" : 3.0, - "rcut" : 6.0, - # These hyperparameters came from a Silicon example: - # https://github.com/CSIprinceton/workshop-july-2023/tree/main/hands-on-sessions/day-2/4-first-model - #"neuron" : [20,40,80], - # These hyperparameters came from a Zn-protein example: - # https://github.com/deepmodeling/deepmd-kit/blob/r2/examples/zinc_protein/zinc_se_a_mask.json - "neuron" : [32,32,64,128], - #"type_one_side" : True, # does not exist for se_e3, se_at, or se_a_3be and will cause an error - "axis_neuron" : 16, - }, - "fitting_net" : { - # These hyperparameters came from a Silicon example: - #"neuron" : [80,80,80], - # These hyperparameters came from a Zn-protein example: - "neuron" : [240,240,240], - "resnet_dt" : True, - }, - }, - "learning_rate" : { - "start_lr" : 0.002, - "decay_steps" : 500, - }, - "loss" : { - "start_pref_e": 0.02, - "limit_pref_e": 1, - "start_pref_f": 1000, - "limit_pref_f": 1, - "start_pref_v": 0, - "limit_pref_v": 0, - }, - "training" : { - "stop_batch": 50000, # was 200000, reduced here for testing, 200000 iterations would take 2 hours - "disp_file" : "lcurve.out", - "disp_freq" : 2000, - "save_freq" : 10000, # was 20000, make sure that stop_batch is a multiple of this value - "save_ckpt" : "model.ckpt", - "validation_data" : { - "systems" : [], - "batch_size" : "auto" - }, - "training_data" : { - "systems" : [], - "batch_size" : "auto" - }, - } - } - - def set_displ_file(self, newckpt_file: str) -> None: - ''' - Set save_ckpt entry - - When running multiple training instances in parallel - you want to be sure to write the checkpoint files - to separate files. - ''' - self.deepmd["training"]["save_ckpt"] = str(newckpt_file) - - def set_checkpoint_file(self, newdisp_file: str) -> None: - ''' - Set disp_file entry - - When running multiple training instances in parallel - you want to be sure to write the training progress - to separate files. - ''' - self.deepmd["training"]["disp_file"] = str(newdisp_file) - - - def set_type_map(self, newtypemap: List[str]) -> None: - ''' - Store a new value for the "type_map" entry - - The original type_map includes all elements of the periodic table. - This tends to cause problems with TensorFlow running out of memory. - This function allows to store a compressed list instead, which - hopefully circumvents memory problems. - ''' - self.deepmd["model"]["type_map"] = newtypemap - - def set_sel(self, newsel: List[int]) -> None: - ''' - Store a new value for the "sel" entry - - The "sel" entry specifies the maximum number of neighbors for every - element type. Setting this too big impedes efficient training, - setting it too small affects the accuracy of the model (the code - drops the atoms that don't fit in the buffer?). - - To get a sensible estimate you need to collect the neighbor statistics - on the training data: - - dp neighbor-stat -s -r 8.0 -t - - where: - - "-s " specifies the directory with training data - - "-r 8.0" specifies the cutoff for atoms to be considered - - "-t " is the list of all relevant chemical symbols - Sel is an upperbound. So if the typical cutoff is 6.0 running this - command with a cutoff of 8.0 probably obtains a sensible result. - ''' - self.deepmd["model"]["descriptor"]["sel"] = newsel - - def set_training_systems(self, newsystems: List[str]) -> None: - ''' - Store a new list for the "training_data" "systems" entry - - The "systems" entry in "training_data" contains a list - of paths to directories containing training data. - ''' - self.deepmd["training"]["training_data"]["systems"] = newsystems - - def set_validation_systems(self, newsystems: List[str]) -> None: - ''' - Store a new list for the "validation_data" "systems" entry - - The "systems" entry in "validation_data" contains a list - of paths to directories containing validation data. - ''' - self.deepmd["training"]["validation_data"]["systems"] = newsystems - - def dump_json(self, fpath: PathLike) -> None: - ''' - Overload dump_json to store the contents of self.deepmd and not self. - ''' - with open(fpath, mode="w") as fp: - json.dump(self.deepmd, fp, indent=4, sort_keys=False) - - -def _list_max(l1: List[int], l2: List[int]) -> List[int]: - ''' - Return the element wise maximum of two lists - - This is essentially an all-reduce with "max" on two lists. - The implementation is very much inspired by - https://stackoverflow.com/questions/35244791/finding-the-index-wise-maximum-values-of-two-lists - ''' - return [max(*l) for l in zip(l1, l2)] - -def _merge_type_maps(val_path: List[Path], trn_path: List[Path]) -> List[str]: - ''' - Merge the type maps from various data directories - - We assume that the order of the chemical elements is unimportant. - So we can simply read the various type_map.raw files, - add its elements to a dictionary (automatically ensures uniqueness), - and the extract a list of its keys. - ''' - all_path = val_path + trn_path - symb_dict = {} - for ipath in all_path: - tm_path = Path(ipath,"type_map.raw") - with open(tm_path,"r") as fp: - type_map = fp.readline() - type_map = type_map.split() - for symb in type_map: - symb_dict[symb] = 1 - return list(symb_dict.keys()) - -def gen_input(data_path: PathLike, json_path: PathLike) -> None: - ''' - Generate DeePMD input file - ''' - settings = DeePMDInput() - val_path = Path(data_path,"**/validate_mol_*") - trn_path = Path(data_path,"**/training_mol_*") - validate_data = glob.glob(str(val_path),recursive=True) - training_data = glob.glob(str(trn_path),recursive=True) - settings.set_validation_systems(validate_data) - settings.set_training_systems(training_data) - settings.set_type_map(_merge_type_maps(validate_data,training_data)) - settings.dump_json(Path(json_path)) - -def save_lcurve() -> None: - """Copy lcurve.out to a unique name for future reference - - lcurve.out lists data about the neural network training - convergence. This might contain useful information related - to the subsequent model performance. - """ - import hashlib - with open("lcurve.out","rb") as fp: - lines = fp.readlines() - h = hashlib.sha256() - for line in lines: - h.update(line) - hashkey = h.hexdigest() - with open("lcurve.out-"+str(hashkey),"wb") as fp: - fp.writelines(lines) - -def train(train_path: PathLike, json_file: PathLike, - model_file: PathLike = Path("model.pb"), - compressed_model_file: PathLike = Path("compressed_model.pb"), - ckpt_file: PathLike = None) -> None: - ''' - Run the model training - - The basic command is - - dp train - dp freeze -o - dp compress -t -i -o - - Note that effectively every separate training task has to run in a - separate directory. - - - train_path is the directory where the training is supposed to run - ''' - cwd = os.getcwd() - trn_path = Path(train_path) - if not trn_path.exists(): - os.makedirs(trn_path,exist_ok=True) - elif not trn_path.is_dir(): - raise OSError(trn_path+" exists but is not a directory") - os.chdir(trn_path) - if ckpt_file: - subprocess.run(["dp","train",str(json_file),"--init-model",str(ckpt_file)],stdout=sys.stdout) - else: - subprocess.run(["dp","train",str(json_file)],stdout=sys.stdout) - subprocess.run(["dp","freeze","-o",str(model_file)],stdout=sys.stdout) - # Normally we would use the compressed models but these models are rather large - # (raising questions about what compression means in this context) and for - # file quota restrictions I am avoiding using them for now. - #subprocess.run(["dp","compress","-t",str(json_file),"-i",str(model_file),"-o",str(compressed_model_file)],stdout=sys.stdout) - save_lcurve() - os.chdir(cwd) - diff --git a/src/models/deepmd/deepmd_test.py b/src/models/deepmd/deepmd_test.py deleted file mode 100644 index 8588c26..0000000 --- a/src/models/deepmd/deepmd_test.py +++ /dev/null @@ -1,33 +0,0 @@ -import deepmd -import os -from pathlib import Path - -cwd = os.getcwd() -data_path = Path(cwd,"../../sim/nwchem/test_dir") -json_file = Path(cwd,"input.json") -train1 = Path("./train-1") -train2 = Path("./train-2") -train3 = Path("./train-3") -train4 = Path("./train-4") -ckpt = Path("model.ckpt") - -deepmd.gen_input(data_path,json_file) -if not train1.exists(): - deepmd.train(train1,json_file) -else: - deepmd.train(train1,json_file,ckpt_file=ckpt) - -if not train2.exists(): - deepmd.train(train2,json_file) -else: - deepmd.train(train2,json_file,ckpt_file=ckpt) - -if not train3.exists(): - deepmd.train(train3,json_file) -else: - deepmd.train(train3,json_file,ckpt_file=ckpt) - -if not train4.exists(): - deepmd.train(train4,json_file) -else: - deepmd.train(train4,json_file,ckpt_file=ckpt) diff --git a/src/models/deepmd/main_deepmd.py b/src/models/deepmd/main_deepmd.py deleted file mode 100644 index 1ce37f9..0000000 --- a/src/models/deepmd/main_deepmd.py +++ /dev/null @@ -1,21 +0,0 @@ -import deepmd -import os -import sys -from pathlib import Path - -cwd = os.getcwd() -data_path = Path(sys.argv[1]) -train = Path(sys.argv[2]) -print("Begin training: "+str(train)) -json_file = Path(train,"input.json") -ckpt = Path("model.ckpt") - -if not train.exists(): - os.makedirs(train,exist_ok=True) - deepmd.gen_input(data_path,json_file) - deepmd.train(train,json_file) -else: - deepmd.gen_input(data_path,json_file) - deepmd.train(train,json_file,ckpt_file=ckpt) - -print("Done training: "+str(train)) diff --git a/src/models/keras_cvae/__init__.py b/src/models/keras_cvae/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/models/keras_cvae/config.py b/src/models/keras_cvae/config.py deleted file mode 100644 index 208b0db..0000000 --- a/src/models/keras_cvae/config.py +++ /dev/null @@ -1,50 +0,0 @@ -from typing import List, Tuple - -from deepdrivemd.config import MachineLearningTaskConfig - - -class KerasCVAEModelConfig(MachineLearningTaskConfig): - # Select the n most recent HDF5 files for training - last_n_h5_files: int = 10 - # Select k random HDF5 files to train on from previous DeepDriveMD iterations - k_random_old_h5_files: int = 0 - # Name of the dataset in the HDF5 file. - dataset_name: str = "contact_map" - # Shape of contact maps stored in HDF5 file - initial_shape: Tuple[int, int] = (28, 28) - # Shape of contact maps passed to CVAE - final_shape: Tuple[int, int, int] = (28, 28, 1) - # Number of epochs to train during first iteration - initial_epochs: int = 10 - # Number of epochs to train on later iterations - epochs: int = 10 - # Training batch size - batch_size: int = 32 - # Percentage of data to use as training data (the rest is validation) - split_pct: float = 0.8 - # Whether or not to shuffle training/validation data - shuffle: bool = True - - # Model hyperparameters - # Latent dimension of the CVAE - latent_dim: int = 10 - # Number of convolutional layers - conv_layers: int = 4 - # Convolutional filters - conv_filters: List[int] = [64, 64, 64, 64] - # Convolutional filter shapes - conv_filter_shapes: List[Tuple[int, int]] = [(3, 3), (3, 3), (3, 3), (3, 3)] - # Convolutional strides - conv_strides: List[Tuple[int, int]] = [(1, 1), (2, 2), (1, 1), (1, 1)] - # Number of dense layers - dense_layers: int = 1 - # Number of neurons in each dense layer - dense_neurons: List[int] = [128] - # Dropout values for each dense layer - dense_dropouts: List[float] = [0.25] - - use_model_checkpoint = False - - -if __name__ == "__main__": - KerasCVAEModelConfig().dump_yaml("keras_cvae_template.yaml") diff --git a/src/models/keras_cvae/inference.py b/src/models/keras_cvae/inference.py deleted file mode 100644 index 34f7c45..0000000 --- a/src/models/keras_cvae/inference.py +++ /dev/null @@ -1,42 +0,0 @@ -from typing import TYPE_CHECKING - -if TYPE_CHECKING: - import numpy.typing as npt - -from deepdrivemd.models.keras_cvae.config import KerasCVAEModelConfig -from deepdrivemd.models.keras_cvae.model import CVAE -from deepdrivemd.models.keras_cvae.utils import sparse_to_dense -from deepdrivemd.utils import PathLike - - -def generate_embeddings( - model_cfg_path: PathLike, - h5_file: PathLike, - model_weights_path: PathLike, - inference_batch_size: int, -) -> "npt.ArrayLike": - - cfg = KerasCVAEModelConfig.from_yaml(model_cfg_path) - - cvae = CVAE( - image_size=cfg.final_shape[:2], - channels=cfg.final_shape[-1], - conv_layers=cfg.conv_layers, - feature_maps=cfg.conv_filters, - filter_shapes=cfg.conv_filter_shapes, - strides=cfg.conv_strides, - dense_layers=cfg.dense_layers, - dense_neurons=cfg.dense_neurons, - dense_dropouts=cfg.dense_dropouts, - latent_dim=cfg.latent_dim, - ) - - cvae.model.load_weights(str(model_weights_path)) - - data = sparse_to_dense( - h5_file, cfg.dataset_name, cfg.initial_shape, cfg.final_shape - ) - - embeddings = cvae.return_embeddings(data, inference_batch_size) - - return embeddings diff --git a/src/models/keras_cvae/model.py b/src/models/keras_cvae/model.py deleted file mode 100644 index 2ddf696..0000000 --- a/src/models/keras_cvae/model.py +++ /dev/null @@ -1,482 +0,0 @@ -""" -Convolutional variational autoencoder in Keras -Reference: "Auto-Encoding Variational Bayes" (https://arxiv.org/abs/1312.6114) -""" - -from typing import TYPE_CHECKING, Dict, List, Tuple - -if TYPE_CHECKING: - import numpy.typing as npt - -import numpy as np -import pandas as pd -import tensorflow as tf -import tensorflow.keras.backend as K -import tensorflow.keras.losses as objectives -from tensorflow.keras.callbacks import Callback, EarlyStopping, ModelCheckpoint -from tensorflow.keras.layers import ( - Conv2DTranspose, - Convolution2D, - Dense, - Dropout, - Flatten, - Input, - Lambda, - Reshape, -) -from tensorflow.keras.models import Model -from tensorflow.keras.optimizers import RMSprop - -from deepdrivemd.utils import PathLike - -if "set_lms_enabled" in dir(tf.config.experimental): - tf.config.experimental.set_lms_enabled(True) -else: - print("Large Model Extensions (LMS) not available in this TensorFlow installation") - -# save history from log -class LossHistory(Callback): # type: ignore[misc] - def on_train_begin(self, logs: Dict[str, float] = {}) -> None: - self.losses: List[float] = [] - self.val_losses: List[float] = [] - - def on_epoch_end(self, epoch: int, logs: Dict[str, float] = {}) -> None: - self.losses.append(logs["loss"]) - self.val_losses.append(logs["val_loss"]) - - def to_csv(self, path: PathLike) -> None: - """Log loss values to a csv file.""" - df = pd.DataFrame({"train_loss": self.losses, "valid_loss": self.val_losses}) - df.to_csv(path, index_label="epoch") - - -class CVAE(object): - """Convolutional variational autoencoder class.""" - - def __init__( # noqa - self, - image_size: Tuple[int, int], - channels: int, - conv_layers: int, - feature_maps: List[int], - filter_shapes: List[Tuple[int, int]], - strides: List[Tuple[int, int]], - dense_layers: int, - dense_neurons: List[int], - dense_dropouts: List[float], - latent_dim: int, - activation: str = "relu", - eps_mean: float = 0.0, - eps_std: float = 1.0, - ): - """ - Parameters - ---------- - image_size : Tuple[int, int] - Height and width of images. - channels : int - Number of channels in input images. - conv_layers : int - Number of encoding/decoding convolutional layers. - feature_maps : List[int] - Number of output feature maps for each convolutional layer. - filter_shapes : List[Tuple[int, int]] - Convolutional filter shape for each convolutional layer. - strides : List[Tuple[int, int]] - Convolutional stride for each convolutional layer. - dense_layers : int - Number of encoding/decoding dense layers. - dense_neurons : List[int] - Number of neurons for each dense layer. - dense_dropouts : List[float] - Fraction of neurons to drop in each dense layer (between 0 and 1). - latent_dim : int - Number of dimensions for latent embedding. - activation : str, default="relu" - Activation function to use for layers. - eps_mean : float, default=0.0 - Mean to use for epsilon (target distribution for embedding). - eps_std : float, default=1.0 - Standard dev to use for epsilon (target distribution for embedding). - - Raises - ------ - Exception - :obj:`conv_layers` must equal length of :obj:`filter_shapes` list. - Exception - :obj:`conv_layers` must equal length of :obj:`strides` list. - Exception - :obj:`conv_layers` must equal length of :obj:`feature_maps` list. - Exception - :obj:`dense_layers` must equal length of :obj:`dense_neurons` list. - Exception - :obj:`dense_layers` must equal length of :obj:`dense_dropouts` list. - """ - - self.history = LossHistory() - - # check that arguments are proper length; - if len(filter_shapes) != conv_layers: - raise Exception( - "number of convolutional layers must equal length of filter_shapes list" - ) - if len(strides) != conv_layers: - raise Exception( - "number of convolutional layers must equal length of strides list" - ) - if len(feature_maps) != conv_layers: - raise Exception( - "number of convolutional layers must equal length of feature_maps list" - ) - if len(dense_neurons) != dense_layers: - raise Exception( - "number of dense layers must equal length of dense_neurons list" - ) - if len(dense_dropouts) != dense_layers: - raise Exception( - "number of dense layers must equal length of dense_dropouts list" - ) - - # even shaped filters may cause problems in theano backend - # even_filters = [f for pair in filter_shapes for f in pair if f % 2 == 0] - # if K.image_dim_ordering() == 'th' and len(even_filters) > 0: - # warnings.warn('Even shaped filters may cause problems in Theano backend') - # if K.image_dim_ordering() == 'channels_first' and len(even_filters) > 0: - # warnings.warn('Even shaped filters may cause problems in Theano backend') - - self.eps_mean = eps_mean - self.eps_std = eps_std - self.image_size = image_size - - # define input layer - if K.image_data_format() == "channels_first": - self.input = Input(shape=(channels, image_size[0], image_size[1])) - else: - self.input = Input(shape=(image_size[0], image_size[1], channels)) - - # define convolutional encoding layers - self.encode_conv = [] - layer = Convolution2D( - feature_maps[0], - filter_shapes[0], - padding="same", - activation=activation, - strides=strides[0], - )(self.input) - self.encode_conv.append(layer) - for i in range(1, conv_layers): - layer = Convolution2D( - feature_maps[i], - filter_shapes[i], - padding="same", - activation=activation, - strides=strides[i], - )(self.encode_conv[i - 1]) - self.encode_conv.append(layer) - - # define dense encoding layers - self.flat = Flatten()(self.encode_conv[-1]) - self.encode_dense = [] - layer = Dense(dense_neurons[0], activation=activation)( - Dropout(dense_dropouts[0])(self.flat) - ) - self.encode_dense.append(layer) - for i in range(1, dense_layers): - layer = Dense(dense_neurons[i], activation=activation)( - Dropout(dense_dropouts[i])(self.encode_dense[i - 1]) - ) - self.encode_dense.append(layer) - - # define embedding layer - self.z_mean = Dense(latent_dim)(self.encode_dense[-1]) - self.z_log_var = Dense(latent_dim)(self.encode_dense[-1]) - self.z = Lambda(self._sampling, output_shape=(latent_dim,))( - [self.z_mean, self.z_log_var] - ) - - # save all decoding layers for generation model - self.all_decoding = [] - - # define dense decoding layers - self.decode_dense = [] - layer = Dense(dense_neurons[-1], activation=activation) - self.all_decoding.append(layer) - self.decode_dense.append(layer(self.z)) - for i in range(1, dense_layers): - layer = Dense(dense_neurons[-i - 1], activation=activation) - self.all_decoding.append(layer) - self.decode_dense.append(layer(self.decode_dense[i - 1])) - - # dummy model to get image size after encoding convolutions - self.decode_conv = [] - if K.image_data_format() == "channels_first": - dummy_input = np.ones((1, channels, image_size[0], image_size[1])) - else: - dummy_input = np.ones((1, image_size[0], image_size[1], channels)) - dummy = Model(self.input, self.encode_conv[-1]) - conv_size = dummy.predict(dummy_input).shape - layer = Dense(conv_size[1] * conv_size[2] * conv_size[3], activation=activation) - self.all_decoding.append(layer) - self.decode_dense.append(layer(self.decode_dense[-1])) - reshape = Reshape(conv_size[1:]) - self.all_decoding.append(reshape) - self.decode_conv.append(reshape(self.decode_dense[-1])) - - # define deconvolutional decoding layers - for i in range(1, conv_layers): - if K.image_data_format() == "channels_first": - dummy_input = np.ones((1, channels, image_size[0], image_size[1])) - else: - dummy_input = np.ones((1, image_size[0], image_size[1], channels)) - dummy = Model(self.input, self.encode_conv[-i - 1]) - conv_size = list(dummy.predict(dummy_input).shape) - - if K.image_data_format() == "channels_first": - conv_size[1] = feature_maps[-i] - else: - conv_size[3] = feature_maps[-i] - - layer = Conv2DTranspose( - feature_maps[-i - 1], - filter_shapes[-i], - padding="same", - activation=activation, - strides=strides[-i], - ) - self.all_decoding.append(layer) - self.decode_conv.append(layer(self.decode_conv[i - 1])) - - layer = Conv2DTranspose( - channels, - filter_shapes[0], - padding="same", - activation="sigmoid", - strides=strides[0], - ) - self.all_decoding.append(layer) - self.output = layer(self.decode_conv[-1]) - - # build model - self.model = Model(self.input, self.output) - # Decay is a deprecated argument and no longer valid. - # lr is a deprecated argument and should be replaced by learning_rate - #self.optimizer = RMSprop(lr=0.001, rho=0.9, epsilon=1e-08, decay=0.0) - self.optimizer = RMSprop(learning_rate=0.001, rho=0.9, epsilon=1e-08) - # KLD loss - self.model.add_loss( - -0.5 - * K.mean( - 1 + self.z_log_var - K.square(self.z_mean) - K.exp(self.z_log_var), - axis=None, - ) - ) - self.model.compile(optimizer=self.optimizer, loss=self._vae_loss) - # self.model.compile(optimizer=self.optimizer) - # self.model.compile(optimizer=self.optimizer, loss=objectives.MeanSquaredError()) - self.model.summary() - - # model for embeddings - self.embedder = Model(self.input, self.z_mean) - - # model for generation - self.decoder_input = Input(shape=(latent_dim,)) - self.generation = [] - self.generation.append(self.all_decoding[0](self.decoder_input)) - for i in range(1, len(self.all_decoding)): - self.generation.append(self.all_decoding[i](self.generation[i - 1])) - self.generator = Model(self.decoder_input, self.generation[-1]) - - def _sampling( - self, args: Tuple["npt.ArrayLike", "npt.ArrayLike"] - ) -> "npt.ArrayLike": - """Sampling function for embedding layer. - - Parameters - ---------- - args : Tuple[npt.ArrayLike, npt.ArrayLike] - The :obj:`z_mean` and :obj:`z_log_var` tensors. - - Returns - ------- - npt.ArrayLike - The latent codes after the reparameterization trick. - """ - z_mean, z_log_var = args - epsilon = K.random_normal( - shape=K.shape(z_mean), mean=self.eps_mean, stddev=self.eps_std - ) - sample: "npt.ArrayLike" = z_mean + K.exp(z_log_var) * epsilon - return sample - - def _vae_loss(self, input, output): - input_flat = K.flatten(input) - output_flat = K.flatten(output) - xent_loss: "npt.ArrayLike" = ( - self.image_size[0] - * self.image_size[1] - * objectives.binary_crossentropy(input_flat, output_flat) - ) - return xent_loss - - def train( - self, - data, - batch_size, - epochs=1, - validation_data=None, - checkpoint_path=None, - file_path=None, - use_model_checkpoint=False, - **kwargs, - ): - """ - train network on given data - - Parameters - ---------- - data : npt.ArrayLike - Input training data. - batch_size : int - Batch size for training. - epochs : int, default=1.0 - Number of epochs to train for. - validation_data : Optional[npt.ArrayLike], optional - Validation data to report validation accuracy during training. - checkpoint : bool, default=False - Whether or not to save model after each epoch. - filepath : Optional[str], optional - Path to save model if :obj:`checkpoint` is set to True. - - Raises - ------ - Exception - If :obj:`checkpoint` is :obj:`True` but :obj:`filename` is :obj:`None`. - """ - # if checkpoint and filepath is None: - # raise Exception("Please enter a path to save the network") - # tensorflow.config.experimental_run_functions_eagerly(False) - - callbacks = [self.history] - if use_model_checkpoint: - callbacks.append( - ModelCheckpoint( - f"{checkpoint_path}/best.h5", - monitor="val_loss", - save_best_only=True, - verbose=1, - ) - ) - callbacks.append( - EarlyStopping( - monitor="val_loss", - patience=20, - verbose=1, - mode="min", - restore_best_weights=True, - ) - ) - - data_D = ( - tf.data.Dataset.from_tensor_slices((data, data)) - .batch(batch_size) - .prefetch(1) - ) - validation_data_D = ( - tf.data.Dataset.from_tensor_slices((validation_data, validation_data)) - .batch(batch_size) - .prefetch(1) - ) - - """ - self.model.fit( - data, - data, - batch_size, - epochs=epochs, - shuffle=True, - validation_data=(validation_data, validation_data), - callbacks=callbacks, - **kwargs, - ) - """ - - self.model.fit( - data_D, - epochs=epochs, - shuffle=True, - validation_data=validation_data_D, - callbacks=callbacks, - **kwargs, - ) - - def save(self, filepath: str) -> None: - """Save the model weights to a file. - - Parameters - ---------- - filepath: str - Path to save model weights. - """ - self.model.save_weights(filepath) - - def load(self, filepath: str) -> None: - """Load model weights from a file. - - Parameters - ---------- - filepath: str - Path from which to load model weights. - """ - self.model.load_weights(filepath) - - def decode(self, data: "npt.ArrayLike") -> "npt.ArrayLike": - """Return the decodings for given data - - Parameters - ---------- - data: npt.ArrayLike - Input data. - - Returns - ------- - npt.ArrayLike - Array of decodings for input data. - """ - recon: "npt.ArrayLike" = self.model.predict(data) - return recon - - def return_embeddings( - self, data: "npt.ArrayLike", batch_size: int = 32 - ) -> "npt.ArrayLike": - """Return the embeddings for given data. - - Parameters - ---------- - data: npt.ArrayLike - Input data. - batch_size: int - Batch size to use during inference. - - Returns - ------- - npt.ArrayLike - Array of embeddings for input data. - """ - embeddings: "npt.ArrayLike" = self.embedder.predict(data, batch_size=batch_size) - return embeddings - - def generate(self, embedding: "npt.ArrayLike") -> "npt.ArrayLike": - """Return a generated output given a latent embedding. - - Parameters - ---------- - data: npt.ArrayLike - Latent embeddings. - - Returns - ------- - npt.ArrayLike - Array of generated output. - """ - preds: "npt.ArrayLike" = self.generator.predict(embedding) - return preds diff --git a/src/models/keras_cvae/train.py b/src/models/keras_cvae/train.py deleted file mode 100644 index 72cee5b..0000000 --- a/src/models/keras_cvae/train.py +++ /dev/null @@ -1,157 +0,0 @@ -import json -import time -from pathlib import Path -from typing import TYPE_CHECKING, List, Optional, Tuple - -if TYPE_CHECKING: - import numpy.typing as npt - -import numpy as np - -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.data.utils import get_virtual_h5_file -from deepdrivemd.models.keras_cvae.config import KerasCVAEModelConfig -from deepdrivemd.models.keras_cvae.model import CVAE -from deepdrivemd.models.keras_cvae.utils import sparse_to_dense -from deepdrivemd.selection.latest.select_model import get_model_path -from deepdrivemd.utils import Timer, parse_args - - -def get_init_weights(cfg: KerasCVAEModelConfig) -> Optional[str]: - if cfg.init_weights_path is None: - - if cfg.stage_idx == 0: - # Case for first iteration with no pretrained weights - return None - - token = get_model_path( - stage_idx=cfg.stage_idx - 1, experiment_dir=cfg.experiment_directory - ) - if token is None: - # Case for no pretrained weights - return None - else: - # Case where model selection has run before - _, init_weights = token - else: - # Case for pretrained weights - init_weights = cfg.init_weights_path - - return init_weights.as_posix() - - -def get_h5_training_file(cfg: KerasCVAEModelConfig) -> Tuple[Path, List[str]]: - # Collect training data - api = DeepDriveMD_API(cfg.experiment_directory) - md_data = api.get_last_n_md_runs() - all_h5_files = md_data["data_files"] - - virtual_h5_path, h5_files = get_virtual_h5_file( - output_path=cfg.output_path, - all_h5_files=all_h5_files, - last_n=cfg.last_n_h5_files, - k_random_old=cfg.k_random_old_h5_files, - virtual_name=f"virtual_{cfg.model_tag}", - node_local_path=cfg.node_local_path, - ) - - return virtual_h5_path, h5_files - - -def preprocess( - h5_file: Path, - initial_shape: Tuple[int, int], - final_shape: Tuple[int, int, int], - dataset_name: str = "contact_map", - split_pct: float = 0.8, - shuffle: bool = True, -) -> Tuple["npt.ArrayLike", "npt.ArrayLike"]: - - data = sparse_to_dense(h5_file, dataset_name, initial_shape, final_shape) - - if shuffle: - np.random.shuffle(data) - - # Split data into train and validation - train_val_split = int(split_pct * len(data)) # type: ignore[arg-type] - train_data, valid_data = ( - data[:train_val_split], # type: ignore[index] - data[train_val_split:], # type: ignore[index] - ) - - return train_data, valid_data - - -def main(cfg: KerasCVAEModelConfig) -> None: - - cfg.output_path.mkdir(exist_ok=True) - - with Timer("machine_learning_get_init_weights"): - init_weights = get_init_weights(cfg) - - with Timer("machine_learning_get_h5_training_file"): - h5_file, h5_files = get_h5_training_file(cfg) - - # Log selected H5 files - with open(cfg.output_path / "virtual-h5-metadata.json", "w") as f: - json.dump(h5_files, f) - - with Timer("machine_learning_preprocess"): - train_data, valid_data = preprocess( - h5_file, - cfg.initial_shape, - cfg.final_shape, - cfg.dataset_name, - cfg.split_pct, - cfg.shuffle, - ) - - with Timer("machine_learning_conv_variational_autoencoder"): - cvae = CVAE( - image_size=cfg.final_shape[:2], - channels=cfg.final_shape[-1], - conv_layers=cfg.conv_layers, - feature_maps=cfg.conv_filters, - filter_shapes=cfg.conv_filter_shapes, - strides=cfg.conv_strides, - dense_layers=cfg.dense_layers, - dense_neurons=cfg.dense_neurons, - dense_dropouts=cfg.dense_dropouts, - latent_dim=cfg.latent_dim, - ) - cvae.model.summary() - - if init_weights is not None: - cvae.model.load_weights(init_weights) - - # Optionaly train for a different number of - # epochs on the first DDMD iterations - if cfg.stage_idx == 0: - epochs = cfg.initial_epochs - else: - epochs = cfg.epochs - - with Timer("machine_learning_train"): - cvae.train( - train_data, - validation_data=valid_data, - batch_size=cfg.batch_size, - epochs=epochs, - ) - - # Log checkpoint - with Timer("machine_learning_logging"): - checkpoint_path = cfg.output_path / "checkpoint" - checkpoint_path.mkdir() - time_stamp = time.strftime(f"epoch-{epochs}-%Y%m%d-%H%M%S.h5") - cvae.model.save_weights(str(checkpoint_path / time_stamp)) - - # Log loss history - cvae.history.to_csv(cfg.output_path / "loss.csv") - - -if __name__ == "__main__": - with Timer("machine_learning_stage"): - args = parse_args() - cfg = KerasCVAEModelConfig.from_yaml(args.config) - main(cfg) diff --git a/src/models/keras_cvae/utils.py b/src/models/keras_cvae/utils.py deleted file mode 100644 index e65b788..0000000 --- a/src/models/keras_cvae/utils.py +++ /dev/null @@ -1,57 +0,0 @@ -from typing import TYPE_CHECKING, Tuple, Union - -if TYPE_CHECKING: - import numpy.typing as npt - -import h5py # type: ignore[import] -import numpy as np -from scipy.sparse import coo_matrix # type: ignore[import] - -from deepdrivemd.utils import PathLike - - -def sparse_to_dense( - h5_file: PathLike, - dataset_name: str, - initial_shape: Tuple[int, int], - final_shape: Union[Tuple[int, int, int], Tuple[int, int]], -) -> "npt.ArrayLike": - """Convert sparse COO formatted contact maps to dense. - - Parameters - ---------- - h5_file : PathLike - The HDF5 file containing contact maps. - dataset_name : str - The dataset name containing the contact map indices. - initial_shape : Tuple[int, int] - The shape of the contact map saved in the HDF5 file. - final_shape : Union[Tuple[int, int, int], Tuple[int, int]] - The final shape of the contact map incase adding an extra - dimension is necessary e.g. (D, D, 1) where D is the number - of residues or the cropping shape. - - Returns - ------- - npt.ArrayLike - The output array of contact maps of shape (N, D, D) or - (N, D, D, 1) depending on :obj:`final_shape` where N is - the number of contact maps in the HDF5 file. - """ - contact_maps = [] - with h5py.File(h5_file, "r", libver="latest", swmr=False) as f: - for raw_indices in f[dataset_name]: - indices = raw_indices.reshape((2, -1)).astype("int16") - # Contact matrices are binary so we don't need to store the values - # in HDF5 format. Instead we create a vector of 1s on the fly. - values = np.ones(indices.shape[1]).astype("byte") - # Construct COO formated sparse matrix - contact_map = coo_matrix( - (values, (indices[0], indices[1])), shape=initial_shape - ).todense() - # Crop and reshape incase of extra 1 e.g. (N, N, 1) - contact_map = np.array( - contact_map[: final_shape[0], : final_shape[1]], dtype=np.float16 - ).reshape(final_shape) - contact_maps.append(contact_map) - return np.array(contact_maps) diff --git a/src/models/keras_cvae_stream/__init__.py b/src/models/keras_cvae_stream/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/models/keras_cvae_stream/config.py b/src/models/keras_cvae_stream/config.py deleted file mode 100644 index e915f2a..0000000 --- a/src/models/keras_cvae_stream/config.py +++ /dev/null @@ -1,65 +0,0 @@ -from pathlib import Path -from typing import List, Tuple - -from deepdrivemd.config import MachineLearningTaskConfig - - -class KerasCVAEModelConfig(MachineLearningTaskConfig): - # Shape of contact maps passed to CVAE - final_shape: Tuple[int, ...] = (28, 28, 1) - # Number of epochs - epochs: int = 10 - # Training batch size - batch_size: int = 32 - # Percentage of data to use as training data (the rest is validation) - split_pct: float = 0.8 - # Whether or not to shuffle training/validation data - shuffle: bool = True - - # Model hyperparameters - # Latent dimension of the CVAE - latent_dim: int = 10 - # Number of convolutional layers - conv_layers: int = 4 - # Convolutional filters - conv_filters: List[int] = [64, 64, 64, 64] - # Convolutional filter shapes - conv_filter_shapes: List[Tuple[int, int]] = [(3, 3), (3, 3), (3, 3), (3, 3)] - # Convolutional strides - conv_strides: List[Tuple[int, int]] = [(1, 1), (2, 2), (1, 1), (1, 1)] - # Number of dense layers - dense_layers: int = 1 - # Number of neurons in each dense layer - dense_neurons: List[int] = [128] - # Dropout values for each dense layer - dense_dropouts: List[float] = [0.25] - - # minimum number of steps in each aggregated file before the model is trained - min_step_increment: int = 5000 - # take up to this number of samples from each aggregated file to train the model - max_steps: int = 8000 - # if the loss is greater than this, do not publish the model, retrain the model from scratch at next iteration regardless of reinit value - max_loss: int = 10000 - # number of aggregators - num_agg: int = 12 - # if num_agg adios aggregated files are not available, sleep for timeout1 before trying again - timeout1: int = 30 - # if less than min_step_increment is available in each aggregated file, sleep for timeout2 before trying again - timeout2: int = 10 - # directory with aggregated tasks subdirectories - agg_dir: Path = Path() - # where to publish a trained model for the outlier search to pick up - published_model_dir: Path - # temporary directory with model checkpoints - checkpoint_dir: Path - # adios xml configuration file for aggregators - adios_xml_agg: Path - # retrain the model from scratch at each iteration or start with the previously trained model - reinit: bool = True - use_model_checkpoint = True - read_batch: int = 10000 - model: str = "cvae" - - -if __name__ == "__main__": - KerasCVAEModelConfig().dump_yaml("keras_cvae_template.yaml") diff --git a/src/models/keras_cvae_stream/train.py b/src/models/keras_cvae_stream/train.py deleted file mode 100644 index 3ec717c..0000000 --- a/src/models/keras_cvae_stream/train.py +++ /dev/null @@ -1,177 +0,0 @@ -import glob -import itertools -import math -import os -import subprocess -import sys -import time -from typing import List, Tuple - -import numpy as np - -from deepdrivemd.data.stream.aggregator_reader import StreamContactMapVariable, Streams -from deepdrivemd.data.stream.enumerations import DataStructure -from deepdrivemd.models.keras_cvae.model import CVAE -from deepdrivemd.models.keras_cvae_stream.config import KerasCVAEModelConfig -from deepdrivemd.utils import Timer, parse_args, timer - - -def wait_for_input(cfg: KerasCVAEModelConfig) -> List[str]: - """Wait for the expected number of sufficiently large agg.bp files to be produced. - - Returns - ------- - List[str] - List of paths to aggregated files. - """ - - # Wait for enough bpfiles - while True: - bpfiles = glob.glob(str(cfg.agg_dir / "*/*/agg_4ml.bp*")) - print(bpfiles) - sys.stdout.flush() - if len(bpfiles) == cfg.num_agg: - break - if(os.getenv('DDMD_DEBUG') == None): - print(f"Waiting for {cfg.num_agg} agg_4ml.bp files") - time.sleep(cfg.timeout1) - - print(f"bpfiles = {bpfiles}") - - time.sleep(5*60) - - return bpfiles - - -def next_input( - cfg: KerasCVAEModelConfig, streams: Streams -) -> Tuple[np.ndarray, np.ndarray]: - """Read the next batch of contact maps from aggregated files. - - Returns - ------- - Tuple[np.ndarray, np.ndarray] - Training and validation sets. - """ - - with Timer("ml_read"): - while True: - try: - cm_data_input = streams.next()["contact_map"] - break - except: # noqa TODO: flake8 - should not have a bar except - if(os.getenv('DDMD_DEBUG') == None): - print("Sleeping for input to become readable") - sys.stdout.flush() - time.sleep(60) - continue - cm_data_input = np.expand_dims(cm_data_input, axis=-1) - - cfg.initial_shape = cm_data_input.shape[1:3] - cfg.final_shape = list(cm_data_input.shape[1:3]) + [1] - - print( - f"in next_input: cm_data_input.shape = {cm_data_input.shape}" - ) # (2000, 28, 28, 1) - np.random.shuffle(cm_data_input) - train_val_split = int(cfg.split_pct * len(cm_data_input)) - print(f"train_val_split = {train_val_split}") - sys.stdout.flush() - return cm_data_input[:train_val_split], cm_data_input[train_val_split:] - - -def build_model(cfg: KerasCVAEModelConfig): - with Timer("ml_conv_variational_autoencoder"): - cvae = CVAE( - image_size=cfg.final_shape, - channels=cfg.final_shape[-1], - conv_layers=cfg.conv_layers, - feature_maps=cfg.conv_filters, - filter_shapes=cfg.conv_filter_shapes, - strides=cfg.conv_strides, - dense_layers=cfg.dense_layers, - dense_neurons=cfg.dense_neurons, - dense_dropouts=cfg.dense_dropouts, - latent_dim=cfg.latent_dim, - ) - cvae.model.summary() - return cvae - - -def main(cfg: KerasCVAEModelConfig): - print(subprocess.getstatusoutput("hostname")[1]) - sys.stdout.flush() - - cfg.checkpoint_dir = cfg.output_path / "checkpoints" - cfg.checkpoint_dir.mkdir(exist_ok=True) - - cfg.published_model_dir = cfg.output_path / "published_model" - cfg.published_model_dir.mkdir(exist_ok=True) - - with Timer("ml_wait_for_input"): - bpfiles = wait_for_input(cfg) - - print(bpfiles) - print(cfg.adios_xml_agg) - print(cfg.max_steps) - print(cfg.read_batch) - sys.stdout.flush() - - bpfiles = list(map(lambda x: x.replace(".sst", ""), bpfiles)) - - streams = Streams( - bpfiles, - [StreamContactMapVariable("contact_map", np.uint8, DataStructure.array)], - lastN=cfg.max_steps, - config=cfg.adios_xml_agg_4ml, - batch=cfg.read_batch, - stream_name="AggregatorOutput4ml", - ) - - # Infinite loop of CVAE training - # After training iteration, publish the model in the directory from which it is picked up by outlier search - for i in itertools.count(0): - timer("ml_iteration", 1) - print(f"ML iteration {i}") - cm_data_train, cm_data_val = next_input(cfg, streams) - - if "cvae" not in locals(): - cvae = build_model(cfg) - - with Timer("ml_train"): - try: - cvae.train( - cm_data_train, - validation_data=cm_data_val, - batch_size=cfg.batch_size, - epochs=cfg.epochs, - checkpoint_path=cfg.checkpoint_dir, - use_model_checkpoint=cfg.use_model_checkpoint, - ) - loss = cvae.history.val_losses[-1] - except Exception as e: - print(e) - loss = math.inf - - print("loss = ", loss) - best_model = f"{cfg.checkpoint_dir}/best.h5" - - if cfg.reinit or loss > cfg.max_loss: - del cvae - cvae = build_model(cfg) - else: - cvae.load(best_model) - - if loss < cfg.max_loss and os.path.exists(best_model): - subprocess.getstatusoutput( - f"mv {cfg.checkpoint_dir}/best.h5 {cfg.published_model_dir}/" - ) - - print("=" * 30) - timer("ml_iteration", -1) - - -if __name__ == "__main__": - args = parse_args() - cfg = KerasCVAEModelConfig.from_yaml(args.config) - main(cfg) diff --git a/src/models/n2p2/README.md b/src/models/n2p2/README.md deleted file mode 100644 index 85b2980..0000000 --- a/src/models/n2p2/README.md +++ /dev/null @@ -1,32 +0,0 @@ -# N2P2 - -N2P2 is a neural network potential for molecular dynamics force fields. -The force field needs to be accessed through LAMMPS[^1]. - -The N2P2 code[^2] builds as separate package. The build process also -automatically builds LAMMPS with N2P2 builtin. However, we cannot use -that version of LAMMPS here as we need LAMMPS to produce trajectory files -in the DCD format. So we need to copy the USER-NNP package into the LAMMPS -source directory. Subsequently we need to address an update to the LAMMPS -API. In LAMMPS the request members `pair`, `half`, and `full` are now protected. -This means that their values cannot be changed directly any longer. As a result -the code in `USER-NNP/pair_nnp.cpp` function `void PairNNP::init_style()` -needs to be changed like -```C++ - /* - neighbor->requests[irequest]->pair = 1; - neighbor->requests[irequest]->half = 0; - neighbor->requests[irequest]->full = 1; - */ - neighbor->requests[irequest]->enable_full(); -``` -The N2P2 workflow is a bit different than, e.g. the DeePMD workflow. DeePMD -just requires you to provide the training data and then `dp train` will -essentially train the model for you. In N2P2 more steps are needed: - -- sfparamgen - generate the symmetry functions -- nnp-scaling - calculates the symmetry functions -- nnp-train - does the actual training - -[^1]: "LAMMPS packages" https://www.lammps.org/external.html -[^2]: "n2p2 - A neural network potential package" https://github.com/CompPhysVienna/n2p2 diff --git a/src/models/n2p2/main_n2p2.py b/src/models/n2p2/main_n2p2.py deleted file mode 100644 index 6923a00..0000000 --- a/src/models/n2p2/main_n2p2.py +++ /dev/null @@ -1,18 +0,0 @@ -import n2p2 -import os -import sys -from pathlib import Path - -cwd = os.getcwd() -data_path = Path(sys.argv[1])/"input.data" -train = Path(sys.argv[2]) -print("Begin training: "+str(train)) - -if not train.exists(): - n2p2.create_directory(train,data_path) -os.chdir(train) -n2p2.run_scaling() -n2p2.run_training() -n2p2.select_best_model() - -print("Done training: "+str(train)) diff --git a/src/models/n2p2/n2p2.py b/src/models/n2p2/n2p2.py deleted file mode 100644 index 45768bb..0000000 --- a/src/models/n2p2/n2p2.py +++ /dev/null @@ -1,687 +0,0 @@ -import glob -import itertools -import math -import numpy as np -import operator -import os -from pathlib import Path -import deepdrivemd.models.n2p2.sfparamgen as sfp -import subprocess -import sys -import typing - -class Molecule: - '''A simple class to store molecules - - This class consists of a number of fields: - - chemical_symbols: a list of chemical symbols for the atoms - - coordinates: a list of atomic positions, each position is a list of x, y, and z - - forces: a list of atomic forces, each force is a list of f_x, f_y, and f_z - - energy: the energy associated with the molecule - ''' - chemical_symbols = None - coordinates = None - forces = None - energy = None - def __init__(self,symbols=None,positions=None): - '''Initialize a molecule instance - ''' - self.num_forces = 0 - self.num_positions = 0 - self.num_symbols = 0 - if not symbols is None: - self.num_symbols = len(symbols) - self.chemical_symbols = [] - for symbol in symbols: - self.chemical_symbols.append(symbol) - if not positions is None: - self.num_positions = len(positions) - self.coordinates = [] - for coord in positions: - if len(coord) != 3: - raise RuntimeError(f"Atom has {str(len(coord))} coordinates instead of 3: {str(coord)}") - self.coordinates.append(coord) - if self.num_symbols != 0: - if self.num_positions != 0: - if self.num_symbols != self.num_position: - raise RuntimeError(f"There should be equal numbers of chemical symbols {str(num_symbols)} and atomic coordinates {str(num_positions)}") - - def set_chemical_symbols(self,symbols): - '''Set the chemical symbols for the atoms - ''' - if self.num_positions != 0: - if len(symbols) != self.num_positions: - raise RuntimeError(f"The number of symbols {str(len(symbols))} should match the number of atoms") - self.num_symbols = len(symbols) - self.chemical_symbols = [] - for symbol in symbols: - self.chemical_symbols.append(symbol) - - def set_positions(self,positions): - '''Set the positions for the atoms - ''' - if self.num_symbols != 0: - if len(positions) != self.num_symbols: - raise RuntimeError(f"The number of positions {str(len(positions))} should match the number of atoms") - self.num_positions = len(positions) - self.positions = [] - for position in positions: - self.positions.append(position) - - def set_forces(self,forces): - '''Set the forces for the atoms - ''' - if self.num_symbols != 0: - if len(forces) != self.num_symbols: - raise RuntimeError(f"The number of forces {str(len(forces))} should match the number of atoms") - self.num_forces = len(forces) - self.forces = [] - for force in forces: - self.forces.append(force) - - def set_energy(self,energy): - '''Set the energy for the molecule - ''' - self.energy = energy - - def get_energy(self): - return self.energy - - def get_forces(self): - return self.forces - - def get_positions(self): - return self.positions - - def get_chemical_symbols(self): - return self.chemical_symbols - -def read_molecule(fp): - '''Read a molecule from an input.data file - - We assume that the file is open and the file object - is provided in fp. Next a molecule instance is created, - the relevant pieces of information are scanned from the file - and added to the molecule object, which is returned. - - The input data format follows the pattern - - begin - comment anything goes here - atom x y z s c n fx fy fz - atom ... - energy e - charge 0.0 - end - - where - - x, y, z - the atomic coordinates - s - the chemical symbol - c - the partial charge (not used) - n - the atomic number (not used) - fx, fy, fz - the atomic forces - e - the molecular energy - - This implementation scans the file for the "begin" keyword and - then reads and parses the lines until the "end" keyword is encountered. - Upon return the file object will be positioned just beyond the "end" - line. - ''' - molecule = Molecule() - energy = None - positions = [] - forces = [] - symbols = [] - line = fp.readline() - while not line.startswith("begin"): - line = fp.readline() - line = fp.readline() - while not line.startswith("end"): - if line.startswith("begin"): - raise RuntimeError("Invalid file format. New \"begin\" present before closing \"end\".") - elif line.startswith("comment"): - pass - elif line.startswith("atom"): - components = line.split() - x = float(components[1]) - y = float(components[2]) - z = float(components[3]) - s = str(components[4]) - c = float(components[5]) - n = float(components[6]) - fx = float(components[7]) - fy = float(components[8]) - fz = float(components[9]) - symbols.append(s) - positions.append([x,y,z]) - forces.append([fx,fy,fz]) - elif line.startswith("energy"): - components = line.split() - energy = float(components[1]) - elif line.startswith("charge"): - pass - else: - raise RuntimeError(f"Invalid keyword: {line}") - line = fp.readline() - molecule.set_energy(energy) - molecule.set_chemical_symbols(symbols) - molecule.set_positions(positions) - molecule.set_forces(forces) - return molecule - -def write_molecule(fp,molecule): - '''Write the molecule to file in the input.data format - - The file format in explained in the read_molecule - function. - ''' - energy = molecule.get_energy() - symbols = molecule.get_chemical_symbols() - positions = molecule.get_positions() - forces = molecule.get_forces() - fp.write("begin\n") - for ii in range(len(symbols)): - s = symbols[ii] - x, y, z = positions[ii] - fx, fy, fz = forces[ii] - c, n = 0.0, 0.0 - fp.write(f"atom {x} {y} {z} {s} {c} {n} {fx} {fy} {fz}\n") - fp.write("energy {energy}\n") - fp.write("end\n") - -def compare_vectors(veca,vecb): - '''Compare two vector in 3D space - - Returns the length of the difference vector - ''' - dx = veca[0] - vecb[0] - dy = veca[1] - vecb[1] - dz = veca[2] - vecb[2] - r = math.sqrt(dx*dx+dy*dy+dz*dz) - return r - -def compare_molecule_pair(mola: Molecule, molb: Molecule) -> (float, float, float, float, float, float): - '''Compare a single pair of molecules - - See also the discussion in the compare_molecules function. - ''' - energy_a = mola.get_energy() - energy_b = molb.get_energy() - e_max_diff = abs(energy_a - energy_b) - e_min_diff = e_max_diff - e_avg_diff = e_max_diff - forces_a = mola.get_forces() - forces_b = molb.get_forces() - lena = len(forces_a) - lenb = len(forces_b) - if not lena == lenb: - raise RuntimeError("molecule have different numbers of atoms") - f_max_diff = 0.0 - f_min_diff = sys.float_info.max - f_avg_diff = 0.0 - for ii in range(lena): - r = compare_vectors(forces_a[ii],forces_b[ii]) - f_max_diff = max(f_max_diff,r) - f_min_diff = min(f_min_diff,r) - f_avg_diff = f_avg_diff + r/lena - return (e_max_diff,e_min_diff,e_avg_diff,f_max_diff,f_min_diff,f_avg_diff) - -def compare_molecules(molecules: list[Molecule]) -> (float, float, float, float, float, float): - '''Compare the molecule data of multiple molecules - - We compare all pairs of molecules in the list of molecules provide. - We compares energies and atomic forces. We calculate the maximum, - minimum and average absolute difference. - - Note that to compare the forces in an coordinate invariant way - we need to calculate the difference of the forces for an atom, - and then compute the length of the difference vector. - ''' - lenm = len(molecules) - fac = 2.0/((lenm-1)*lenm) - e_max_diff = 0.0 - e_min_diff = sys.float_info.max - e_avg_diff = 0.0 - f_max_diff = 0.0 - f_min_diff = sys.float_info.max - f_avg_diff = 0.0 - for ii in range(lenm): - for jj in range(ii): - (e_max,e_min,e_avg,f_max,f_min,f_avg) = compare_molecule_pair(molecules[ii],molecules[jj]) - e_max_diff = max(e_max_diff,e_max) - e_min_diff = min(e_min_diff,e_min) - e_avg_diff = e_avg_diff + e_avg*fac - f_max_diff = max(f_max_diff,f_max) - f_min_diff = min(f_min_diff,f_min) - f_avg_diff = f_avg_diff + f_avg*fac - return (e_max_diff,e_min_diff,e_avg_diff,f_max_diff,f_min_diff,f_avg_diff) - - -def read_elements(fname: Path) -> (list[str], list[int]): - '''Read the elements in the training set - - The chemical elements are list in the comment line in the input.data - file. The elements are the string in round brackets. This string - is extracted, converted into a list and returned. For example - a comment line will look like - - comment h4c2o1 (C H O) - - We also count how many atoms there are of each element and return - these counts in a second list. We need these counts to screen - the symmetry functions. E.g. if there is only 1 Oxygen atom you - cannot have an O-O pair, if you only have 2 Carbons you cannot - have a C-C-C bond angle, etc. - ''' - with open(fname,'r') as fp: - while True: - entry = fp.readline() - if entry.startswith("comment"): - # - tmp1 = entry.split("(")[1] - tmp2 = tmp1.split(")")[0] - elements = tmp2.split() - # - tmp1 = entry.split()[1] - # For each element find the corresponding count - counts = [] - for element in elements: - index_el = tmp1.index(element.lower()) - index_other = sys.maxsize - for other in elements: - index = tmp1.index(other.lower()) - if index > index_el: - if index < index_other: - index_other = index - if index_other == sys.maxsize: - # element is the last element in the string - count = int(tmp1[index_el+len(element):]) - else: - # index_el and index_other bracket the count - count = int(tmp1[index_el+len(element):index_other]) - counts.append(count) - return (elements, counts) - -def gen_symfunc(elements: list[str], fname: Path, r_cutoff: float = 6.0, counts: list[int] = None) -> None: - '''Generate the symmetry functions - - The N2P2 approach needs symmetry functions as inputs to the NNP - setup. The functions are generated based on: - - the chemical elements involved - - the design rules preferred - The symmetry functions are written out to one of the N2P2 - input files. The input file name is given in fname and this function - appends the symmetry functions to that file. - There are two sets of rules derived from two papers: - - 'gastegger2018' from https://doi.org/10.1063/1.5019667 - - 'imbalzano2018' from https://doi.org/10.1063/1.5024611 - ''' - gen = sfp.SymFuncParamGenerator(elements,r_cutoff) - rule = 'gastegger2018' - rule = 'imbalzano2018' - mode = 'center' - mode = 'shift' - r_lower = 0.01 - r_upper = r_cutoff - if rule == 'imbalzano2018': - r_lower = None - r_upper = None - nb_param_pairs=5 - gen.generate_radial_params(rule=rule,mode=mode,nb_param_pairs=nb_param_pairs) - - with open(fname,'a') as fp: - gen.symfunc_type = 'radial' - if not counts is None: - gen.filter_element_combinations(counts) - gen.write_settings_overview(fileobj=fp) - gen.write_parameter_strings(fileobj=fp) - gen.symfunc_type = 'weighted_radial' - if not counts is None: - gen.filter_element_combinations(counts) - gen.write_settings_overview(fileobj=fp) - gen.write_parameter_strings(fileobj=fp) - gen.zetas = [1.0,6.0] - gen.symfunc_type = 'angular_narrow' - if not counts is None: - gen.filter_element_combinations(counts) - gen.write_settings_overview(fileobj=fp) - gen.write_parameter_strings(fileobj=fp) - gen.symfunc_type = 'angular_wide' - if not counts is None: - gen.filter_element_combinations(counts) - gen.write_settings_overview(fileobj=fp) - gen.write_parameter_strings(fileobj=fp) - gen.symfunc_type = 'weighted_angular' - if not counts is None: - gen.filter_element_combinations(counts) - gen.write_settings_overview(fileobj=fp) - gen.write_parameter_strings(fileobj=fp) - -def run_scaling(): - '''Run nnp-scaling - - One needs to run nnp-scaling to compute symmetry function - statistics that the training will use. - ''' - n2p2_root = os.environ.get("N2P2_ROOT") - if not n2p2_root: - scaling_exe = "nnp-scaling" - else: - scaling_exe = Path(n2p2_root) / "bin" / "nnp-scaling" - scaling_exe = str(scaling_exe) - nnp_nproc = 1 - with open("nnp-scaling.out","w") as fpout: - subprocess.run([scaling_exe,"100"],stdout=fpout,stderr=subprocess.STDOUT) - -def run_training(): - '''Run nnp-training - ''' - n2p2_root = os.environ.get("N2P2_ROOT") - if not n2p2_root: - training_exe = "nnp-train" - else: - training_exe = Path(n2p2_root) / "bin" / "nnp-train" - training_exe = str(training_exe) - nnp_nproc = 1 - with open("nnp-training.out","w") as fpout: - subprocess.run([training_exe],stdout=fpout,stderr=subprocess.STDOUT) - -def run_predict(): - '''Run nnp-predict - ''' - n2p2_root = os.environ.get("N2P2_ROOT") - if not n2p2_root: - predict_exe = "nnp-predict" - else: - predict_exe = Path(n2p2_root) / "bin" / "nnp-predict" - predict_exe = str(predict_exe) - nnp_nproc = 1 - with open("nnp-predict.out","w") as fpout: - subprocess.run([predict_exe,"0"],stdout=fpout,stderr=subprocess.STDOUT) - -def write_input(elements: list[str], cutoff_type: int, cutoff_alpha: float, counts: list[int]) -> None: - '''Write an input file - - This function writes an input file for the N2P2 tools. - - Some of the parameters are case specific so the corresponding - values need to be passed by the function arguments. This is - particularly true for the chemical elements in the system of - interest. - - Other characteristics we may want to set are the cutoff type - and the cutoff radius. More on this below. - - Finally, N2P2 uses random number generators but the seed is - specified in the input file. Here we want to use the NNP in a mode - that is similar to DeePMD. I.e. we want to train models with the - same hyperparameters but different initial weights to get a sense - of the parameter uncertainty after training. That means that for - every model we train we need a unique seed. Python's random number - generator can be initialized with a hardware entropy pool. We'll - use this approach to pick random random number generator seeds. - - N2P2 supports different cutoff types which are enumerated as: - - CT_HARD (0): No cutoff(?) - - CT_COS (1): (cos(pi*x)+1)/2 - - CT_TANHU (2): tanh^3(1 - r/r_c) - - CT_TANH (3): tanh^3(1 - r/r_c), except if r=0 then 1 - - CT_EXP (4): exp(1 - 1/(1-x*x)) - - CT_POLY1 (5): (2x - 3)x^2 + 1 - - CT_POLY2 (6): ((15 - 6x)x - 10) x^3 + 1 - - CT_POLY3 (7): (x(x(20x - 70) + 84) - 35)x^4 + 1 - - CT_POLY4 (8): (x(x((315 - 70x)x - 540) + 420) - 126)x^5 + 1 - See: n2p2/src/libnnp/CutoffFunction.h - - In general we follow the suggestions in - https://github.com/CompPhysVienna/n2p2/blob/master/examples/input.nn.recommended - ''' - num_elm = len(elements) - if num_elm < 1: - raise RuntimeError(f"N2P2 write_input: Invalid number of chemical elements: {num_elm}") - retrain = False - file_list = glob.glob("weights.*.data") - if len(file_list) > 0: - retrain = True - with open("input.nn","w") as fp: - fp.write(f"number_of_elements {num_elm}\n") - fp.write( "elements") - for element in elements: - fp.write(f" {element}") - fp.write( "\n") - fp.write(f"cutoff_type {str(cutoff_type)} {str(cutoff_alpha)}\n") - fp.write( "scale_symmetry_functions_sigma\n") - fp.write( "scale_min_short 0.0\n") - fp.write( "scale_max_short 1.0\n") - fp.write( "global_hidden_layers_short 2\n") - fp.write( "global_nodes_short 15 15\n") - fp.write( "global_activation_short p p l\n") - fp.write( "use_short_forces\n") - # The random_seed is mentioned here so we don't forget it. - # All the parameters printed out here are general for this case. - # The random_seed need to be set separately for every training input - # and needs to be unique among all training runs. - # So after generating the generic input files we append a different - # random_seed for every training input file. Which is probably the - # easiest way of handling this situation. - fp.write( "#random_seed - we'll append that at the end\n") - if retrain: - fp.write("use_old_weights_short\n") - fp.write( "epochs 20\n") - fp.write( "normalize_data_set force\n") - fp.write( "updater_type 1\n") - fp.write( "parallel_mode 0\n") - fp.write( "jacobian_mode 1\n") - fp.write( "update_strategy 0\n") - fp.write( "selection_mode 2\n") - fp.write( "task_batch_size_energy 1\n") - fp.write( "task_batch_size_force 1\n") - fp.write( "memorize_symfunc_results\n") - fp.write( "test_fraction 0.1\n") - fp.write( "force_weight 1.0\n") - fp.write( "short_energy_fraction 1.000\n") - fp.write( "force_energy_ratio 3.0\n") - fp.write( "short_energy_error_threshold 0.00\n") - fp.write( "short_force_error_threshold 1.00\n") - fp.write( "rmse_threshold_trials 3\n") - fp.write( "weights_min -1.0\n") - fp.write( "weights_max 1.0\n") - fp.write( "main_error_metric RMSEpa\n") - fp.write( "write_trainpoints 10\n") - fp.write( "write_trainforces 10\n") - fp.write( "write_weights_epoch 10\n") - fp.write( "write_neuronstats 10\n") - fp.write( "write_trainlog\n") - fp.write( "kalman_type 0\n") - fp.write( "kalman_epsilon 1.0E-2\n") - fp.write( "kalman_q0 0.01\n") - fp.write( "kalman_qtau 2.302\n") - fp.write( "kalman_qmin 1.0E-6\n") - fp.write( "kalman_eta 0.01\n") - fp.write( "kalman_etatau 2.302\n") - fp.write( "kalman_etamax 1.0\n") - gen_symfunc(elements, Path("input.nn"), r_cutoff = 6.0, counts = counts) - -def append_random_seed(num: int) -> None: - '''Append a random random seed to input.nn - - Everytime we call this function we create a new random number generator. - This generator will be seeded from the hardware entropy pool (if available - in your machine). Just incase there is no entropy pool we loop a number - of times over the generator and draw a random number that we'll use as - a seed. By ensuring we set num to a different value on every call we can - still draw a unique seed. - ''' - if num < 1: - raise RuntimeError(f"append_random_seed: num must be positive: {str(num)}") - random = np.random.default_rng() - ival = random.integers(low=sys.maxsize) - for ii in range(num): - ival = random.integers(low=sys.maxsize) - with open("input.nn","a") as fp: - fp.write(f"random_seed {str(ival)}\n") - -def create_directories(data_path: Path = None) -> None: - '''Generate the directories for scaling and training runs - ''' - # - # Make directories if needed - # - #os.makedirs("scaling",exist_ok=True) - os.makedirs("train-1",exist_ok=True) - os.makedirs("train-2",exist_ok=True) - os.makedirs("train-3",exist_ok=True) - os.makedirs("train-4",exist_ok=True) - # - # Softlink the training data - # - if data_path is None: - data_path = Path("..") / "ab-initio" / "input.data" - #path = Path("scaling") / "input.data" - #if not path.exists(): - # subprocess.run(["ln","-s",str(data_path),str(path)]) - path = Path("train-1") / "input.data" - if not path.exists(): - subprocess.run(["ln","-s",str(data_path),str(path)]) - path = Path("train-2") / "input.data" - if not path.exists(): - subprocess.run(["ln","-s",str(data_path),str(path)]) - path = Path("train-3") / "input.data" - if not path.exists(): - subprocess.run(["ln","-s",str(data_path),str(path)]) - path = Path("train-4") / "input.data" - if not path.exists(): - subprocess.run(["ln","-s",str(data_path),str(path)]) - # - # Create input files - # - elements, counts = read_elements(data_path) - for ii in range(len(elements)): - element = elements[ii] - elements[ii] = element.capitalize() - #path = Path("scaling") / "input.nn" - #if not path.exists(): - # os.chdir("scaling") - # write_input(elements,6,0.0,counts) - # append_random_seed(1) - # os.chdir("..") - path = Path("train-1") / "input.nn" - if not path.exists(): - os.chdir("train-1") - write_input(elements,6,0.0,counts) - append_random_seed(2) - os.chdir("..") - path = Path("train-2") / "input.nn" - if not path.exists(): - os.chdir("train-2") - write_input(elements,6,0.0,counts) - append_random_seed(3) - os.chdir("..") - path = Path("train-3") / "input.nn" - if not path.exists(): - os.chdir("train-3") - write_input(elements,6,0.0,counts) - append_random_seed(4) - os.chdir("..") - path = Path("train-4") / "input.nn" - if not path.exists(): - os.chdir("train-4") - write_input(elements,6,0.0,counts) - append_random_seed(5) - os.chdir("..") - # - # Create softlinks to scaling.data (this file will be generated when nnp-scaling is run) - # - #path = Path("train-1") / "scaling.data" - #if not path.exists(): - # os.chdir("train-1") - # subprocess.run(["ln","-s","../scaling/scaling.data","scaling.data"]) - # os.chdir("..") - #path = Path("train-2") / "scaling.data" - #if not path.exists(): - # os.chdir("train-2") - # subprocess.run(["ln","-s","../scaling/scaling.data","scaling.data"]) - # os.chdir("..") - #path = Path("train-3") / "scaling.data" - #if not path.exists(): - # os.chdir("train-3") - # subprocess.run(["ln","-s","../scaling/scaling.data","scaling.data"]) - # os.chdir("..") - #path = Path("train-4") / "scaling.data" - #if not path.exists(): - # os.chdir("train-4") - # subprocess.run(["ln","-s","../scaling/scaling.data","scaling.data"]) - # os.chdir("..") - -def create_directory(dir_path: Path, data_path: Path = None) -> None: - '''Generate the directories for scaling and training runs - ''' - # - # Make directories if needed - # - os.makedirs(str(dir_path),exist_ok=True) - # - # Softlink the training data - # - if data_path is None: - data_path = Path("..") / "ab-initio" / "input.data" - path = Path(dir_path) / "input.data" - if not path.exists(): - subprocess.run(["ln","-s",str(data_path),str(path)]) - # - # Create input files - # - num = int(str(dir_path)[-1]) - elements, counts = read_elements(data_path) - for ii in range(len(elements)): - element = elements[ii] - elements[ii] = element.capitalize() - path = Path(dir_path) / "input.nn" - if not path.exists(): - os.chdir(dir_path) - write_input(elements,6,0.0,counts) - append_random_seed(num) - os.chdir("..") - -def select_best_model(): - '''Select the "best" model for inference - - We bluntly assume that the best model is the one that has been trained - the most, i.e. the model with the heighest epoch count. - - In the training directories there will be files with names like - - weights.001.000010.out - - these filenames map onto a pattern - - weights.N.M.out - - where N is the atomic number of chemical elements, and M is the epoch - that corresponds to these weights. The model name for the inference - part corresponds to weights.N.data. - - So, here we want to establish the highest value of M and copy the files - for all N from weights.N.M.out to weights.N.data in the current - directory. - ''' - file_list = glob.glob("weights.*.*.out") - epoch_list = [] - element_list = [] - for filename in file_list: - fileinfo = filename.split(".") - element_list.append(fileinfo[1]) - epoch_list.append(fileinfo[2]) - element_list = _sort_uniq(element_list) - epoch_list = _sort_uniq(epoch_list) - last_epoch = epoch_list[-1] - for element in element_list: - subprocess.run(["cp",f"weights.{element}.{last_epoch}.out",f"weights.{element}.data"]) - -def _sort_uniq(sequence): - """Return a sorted sequence of unique instances. - - See https://stackoverflow.com/questions/2931672/what-is-the-cleanest-way-to-do-a-sort-plus-uniq-on-a-python-list - """ - return list(map(operator.itemgetter(0),itertools.groupby(sorted(sequence)))) diff --git a/src/models/n2p2/n2p2_test.py b/src/models/n2p2/n2p2_test.py deleted file mode 100644 index 36af95b..0000000 --- a/src/models/n2p2/n2p2_test.py +++ /dev/null @@ -1,46 +0,0 @@ -import n2p2 -import os -from pathlib import Path - -cwd = os.getcwd() -data_path = Path(cwd,"../../sim/nwchem/test_dir/input.data") -top = Path(cwd) -#scaling = Path(cwd,"scaling") -train1 = Path(cwd,"train-1") -train2 = Path(cwd,"train-2") -train3 = Path(cwd,"train-3") -train4 = Path(cwd,"train-4") - -#n2p2.create_directories(data_path) - -#os.chdir(scaling) -#n2p2.run_scaling() -#os.chdir(top) - -n2p2.create_directory(train1,data_path) -os.chdir(train1) -n2p2.run_scaling() -n2p2.run_training() -n2p2.select_best_model() -os.chdir(top) - -n2p2.create_directory(train2,data_path) -os.chdir(train2) -n2p2.run_scaling() -n2p2.run_training() -n2p2.select_best_model() -os.chdir(top) - -n2p2.create_directory(train3,data_path) -os.chdir(train3) -n2p2.run_scaling() -n2p2.run_training() -n2p2.select_best_model() -os.chdir(top) - -n2p2.create_directory(train4,data_path) -os.chdir(train4) -n2p2.run_scaling() -n2p2.run_training() -n2p2.select_best_model() -os.chdir(top) diff --git a/src/models/n2p2/sfparamgen.py b/src/models/n2p2/sfparamgen.py deleted file mode 100644 index 790647e..0000000 --- a/src/models/n2p2/sfparamgen.py +++ /dev/null @@ -1,764 +0,0 @@ -# -*- coding: utf-8 -*- - -import numpy as np -import sys -import inspect -import itertools -import warnings -from typing import Optional, TextIO - - -class SymFuncParamGenerator: - """Tools for generation, storage, and writing in the format required by - n2p2, of symmetry function parameter sets. - - Parameters - ---------- - elements : list of string - The chemical elements present in the system. - r_cutoff : float - Cutoff radius, at which symmetry functions go to zero. - Must be greater than zero. - - Attributes - ---------- - symfunc_type_numbers : dict - Dictionary mapping strings specifying the symmetry function type to the - numbers used internally by n2p2 to distinguish symmetry function types. - lambdas : numpy.ndarray - Set of values for the parameter lambda of angular symmetry functions. - Fixed to [-1, 1]. - radial_paramgen_settings : dict or None - Stores settings that were used in generating the symmetry function - parameters r_shift and eta using the class method provided for that - purpose. None, if no radial parameters have been generated yet, or if - custom ones (without using the method for generating radial parameters) - were set. - r_shift_grid - eta_grid - elements - element_combinations - r_cutoff - symfunc_type - zetas - """ - - symfunc_type_numbers = dict(radial=2, - angular_narrow=3, - angular_wide=9, - weighted_radial=12, - weighted_angular=13) - lambdas = np.array([-1.0, 1.0]) - - def __init__(self, elements, r_cutoff: float): - self._elements = elements - if not r_cutoff > 0: - raise ValueError('Invalid cutoff radius given. ' - 'Must be greater than zero.') - else: - self._r_cutoff = r_cutoff - - self._element_combinations = None - self._symfunc_type = None - self._zetas = None - - self._r_shift_grid = None - self._eta_grid = None - self.radial_paramgen_settings = None - - @property - def elements(self): - """The chemical elements present in the system (list of string, read-only). - """ - return self._elements - - @property - def element_combinations(self): - """Combinations of elements (list of tuple of string, read-only). - - This is (re)computed and set automatically each time - :py:attr:`~symfunc_type` is set. - """ - return self._element_combinations - - @property - def symfunc_type(self): - """Type of symmetry function for which parameters are to be generated - (`str`). - - When the setter for this is called it checks the validity of the given - symmetry function type. A symmetry function type is valid if it is in - the keys of the dict :py:attr:`~symfunc_type_numbers`, - and invalid otherwise. - - The setter also builds the necessary element combinations for the given - symmetry function type, and stores it to - :py:attr:`~element_combinations`. - - If the given symmetry function type is a radial one, - the setter also clears any preexisting zetas - (i.e., sets :py:attr:`~zetas` to None). - - Raises - ------ - ValueError - If invalid symmetry function type is given. - """ - return self._symfunc_type - - @symfunc_type.setter - def symfunc_type(self, value): - if value not in self.symfunc_type_numbers.keys(): - raise ValueError('Invalid symmetry function type. Must be one of ' - '{}'.format( - list(self.symfunc_type_numbers.keys()))) - else: - self._symfunc_type = value - # once symmetry function type has been set and found to be valid, - # build and store the element combinations - self._element_combinations = self.find_element_combinations() - # Clear any previous zeta values, if the given symfunc type is a - # radial one - if value in ['radial', 'weighted_radial']: - # set the member variable explicitly (with underscore) instead of - # calling setter, because the setter would make an array out of - # the None - self._zetas = None - - @property - def r_cutoff(self): - '''Cutoff radius where symmetry functions go to zero (float, read-only). - ''' - return self._r_cutoff - - @property - def zetas(self): - """Set of values for the parameter zeta of angular symmetry functions - (`numpy.ndarray`). - """ - return self._zetas - - @zetas.setter - def zetas(self, values): - # TODO: possibly add checks on values for zeta -> but how? - self._zetas = np.array(values) - - @property - def r_shift_grid(self): - """Set of values for the symmetry function parameter r_shift - (`numpy.ndarray` or None). - """ - return self._r_shift_grid - - @property - def eta_grid(self): - """Set of values for the symmetry function parameter eta - (`numpy.ndarray` or None). - """ - return self._eta_grid - - def check_symfunc_type(self, calling_method_name=None): - """Check if a symmetry function type has been set. - - Parameters - ---------- - calling_method_name : string, optional - The name of another method that calls this method. - If this parameter is given, a modified error message is printed - by this method, mentioning the method from which it was called. - This should make it clearer to the user in which part - of their own code to look for an error. - - Returns - ------- - None - - Raises - ------ - ValueError - If the symmetry function type has not been set (i.e., it is None). - """ - if self.symfunc_type is None: - if calling_method_name is None: - raise ValueError('Symmetry function type not set.') - else: - raise ValueError(f'Symmetry function type not set. ' - f'Calling method {calling_method_name} ' - f'requires that symmetry function type have ' - f'been set before.') - - def generate_radial_params(self, rule, mode, nb_param_pairs: int, - r_lower=None, r_upper=None): - """Generate a set of values for r_shift and eta. - - Such a set of (r_shift, eta)-values is required for any - symmetry function type (not only those called 'radial'). - Its generation is independent of the symmetry function type - and the angular symmetry function parameters zeta and lambda. - - Rules for parameter generation are implemented based on [1]_ and [2]_. - - The generated values are stored as arrays to :py:attr:`~r_shift_grid` - and :py:attr:`~eta_grid`. The entries are to be understood pairwise, - i.e., the i-th entry of :py:attr:`~r_shift_grid` and the i-th entry of - :py:attr:`~eta_grid` belong to one symmetry function. - Besides the values, the settings they were generated with are also - stored, to :py:attr:`~radial_paramgen_settings`. - - Parameters - ---------- - rule : {'gastegger2018', 'imbalzano2018'} - If rule=='gastegger2018' use the parameter generation rules - presented in [1]_. If rule=='imbalzano2018' use the parameter - generation rules presented in [2]_. - mode : {'center', 'shift'} - Selects which parameter generation procedure to use, on top of the - rule argument, since there are again two different varieties - presented in each of the two papers. 'center' sets r_shift to zero - for all symmetry functions, varying only eta. 'shift' creates - parameter sets where r_shift varies. The exact implementation - details differ depending on the rule parameter and are described in - the papers. - nb_param_pairs : int - Number of (r_shift, eta)-pairs to be generated. - r_lower : float - lowest value in the radial grid from which r_shift and eta values - are computed. - required if rule=='gastegger2018'. - ignored if rule=='imbalzano2018'. - r_upper : float, optional - Largest value in the radial grid from which r_shift and eta - values are computed. - Optional if rule=='gastegger2018', defaults to cutoff radius if not - given. - Ignored if rule=='imbalzano2018'. - - Returns - ------- - None - - Raises - ------ - ValueError - If nb_param_pairs is not two or greater. - TypeError - If parameter r_lower is not given, when using rule 'gastegger2018'. - ValueError - If illegal relation between r_lower, r_upper, r_cutoff. - ValueError - If invalid argument for parameters rule or mode. - - Notes - ----- - The parameter nb_param_pairs invariably specifies the number of - (r_shift, eta)-pairs ultimately generated, not the number of - intervals between points in a grid of r_shift values, or the - number of points in some auxiliary grid. - This constitutes a slight modification of the nomenclature in [2]_, - for the sake of consistent behavior across all options for rule and - mode. - - While the parameter generation by this method does not itself - depend on symmetry function type, be aware of the exact mathematical - expressions for the different symmetry function types and how the - parameters r_shift and eta appear slightly differently in each of them. - - All this method does is implement the procedures described in the two - papers for generating values of the symmetry function parameters - r_shift and eta. As far as this module is concerned, these can then - be used (with the above caveat) in combination with any symmetry - function type. However, this does not imply that their use with all - the different types of symmetry functions is actually discussed in - the papers or was necessarily intended by the authors. - - References - ---------- - .. [1] https://doi.org/10.1063/1.5019667 - .. [2] https://doi.org/10.1063/1.5024611 - """ - if not nb_param_pairs >= 2: - raise ValueError('nb_param_pairs must be two or greater.') - - # store those infos on radial parameter generation settings that are - # independent of the rule argument - self.radial_paramgen_settings = dict(rule=rule, - mode=mode, - nb_param_pairs=nb_param_pairs) - - r_cutoff = self.r_cutoff - - if rule == 'gastegger2018': - if r_lower is None: - raise TypeError('Argument r_lower is required for ' - 'rule "gastegger2018"') - if r_upper is None: - # by default, set largest value of radial grid to cutoff radius - r_upper = r_cutoff - - # store those settings that are unique to this rule - self.radial_paramgen_settings.update({'r_lower': r_lower, - 'r_upper': r_upper}) - - # create auxiliary grid - grid = np.linspace(r_lower, r_upper, nb_param_pairs) - - if mode == 'center': - # r_lower = 0 is not allowed in center mode, - # because it causes division by zero - if not 0 < r_lower < r_upper <= r_cutoff: - raise ValueError(f'Invalid argument(s): rule = {rule:s}, ' - f'mode = {mode:s} requires that 0 < ' - f'r_lower < r_upper <= r_cutoff.') - r_shift_grid = np.zeros(nb_param_pairs) - eta_grid = 1.0 / (2.0 * grid ** 2) - elif mode == 'shift': - # on the other hand, in shift mode, r_lower = 0 is possible - if not 0 <= r_lower < r_upper <= r_cutoff: - raise ValueError(f'Invalid argument(s): rule = {rule:s}, ' - f'mode = {mode:s} requires that 0 <= ' - f'r_lower < r_upper <= r_cutoff.') - r_shift_grid = grid - # compute the equidistant grid spacing - dr = (r_upper - r_lower) / (nb_param_pairs - 1) - eta_grid = np.full(nb_param_pairs, 1.0 / (2.0 * dr * dr)) - else: - raise ValueError('invalid argument for "mode"') - - elif rule == 'imbalzano2018': - if r_lower is not None: - this_method_name = inspect.currentframe().f_code.co_name - warnings.warn(f'The argument r_lower to method' - f' {this_method_name} will be ignored,' - f' since it is unused when calling the method' - f' with rule="imbalzano2018".') - if r_upper is not None: - this_method_name = inspect.currentframe().f_code.co_name - warnings.warn(f'The argument r_upper to method' - f' {this_method_name} will be ignored,' - f' since it is unused when calling the method' - f' with rule="imbalzano2018".') - - if mode == 'center': - nb_intervals = nb_param_pairs - 1 - gridpoint_indices = np.array(range(0, nb_intervals + 1)) - eta_grid = (nb_intervals ** (gridpoint_indices / nb_intervals) - / r_cutoff) ** 2 - r_shift_grid = np.zeros_like(eta_grid) - elif mode == 'shift': - # create extended auxiliary grid of r_shift values, - # that contains nb_param_pairs + 1 values - nb_intervals_extended = nb_param_pairs - gridpoint_indices_extended = np.array( - range(0, nb_intervals_extended + 1)) - rs_grid_extended = r_cutoff / nb_intervals_extended ** ( - gridpoint_indices_extended / nb_intervals_extended) - # from pairs of neighboring r_shift values, compute eta values. - # doing this for the nb_param_pairs + 1 values in the auxiliary - # grid ultimately gives nb_param_pairs different values for - # eta. - eta_grid = np.zeros(nb_param_pairs) - for idx in range(len(rs_grid_extended) - 1): - eta_current = 1 / (rs_grid_extended[idx] - - rs_grid_extended[idx + 1]) ** 2 - eta_grid[idx] = eta_current - # create final grid of r_shift values by excluding the first - # entry (for which r_shift coincides with the cutoff radius) - # from the extended grid - r_shift_grid = rs_grid_extended[1:] - # reverse the order of r_shift and eta values so they are - # sorted in order of ascending r_shift (not necessary, but - # makes the output consistent with the other options) - r_shift_grid = np.flip(r_shift_grid) - eta_grid = np.flip(eta_grid) - else: - raise ValueError('invalid argument for "mode"') - else: - raise ValueError('invalid argument for "rule"') - - # store the generated parameter sets - self._r_shift_grid = r_shift_grid - self._eta_grid = eta_grid - - def set_custom_radial_params(self, r_shift_values, eta_values): - """Set custom r_shift and eta, bypassing the class's generation method. - - The parameters r_shift_values and eta_values must have the same - length. - Their entries are to be understood pairwise, i.e., - the i-th entry of r_shift_values and the i-th entry of eta_values - belong together, describing one symmetry function. - - Parameters - ---------- - r_shift_values : sequence of float or 1D-array - Set of values for the symmetry function parameter r_shift. - eta_values : sequence of float or 1D-array - Set of values for the symmetry function parameter eta. - - Returns - ------- - None - - Raises - ------ - TypeError - If r_shift_values and eta_values do not have equal length. - ValueError - If there are negative entries in r_shift_values. - ValueError - If there are non-positive entries in eta_values. - - Notes - ----- - Setting r_shift and eta manually via this method instead of using the - method :py:attr:`~generate_radial_params` somewhat defeats the - purpose of the class as a generator of symmetry function parameter - values. However, it might still be useful, in case one wants to use - custom values for r_shift and eta, for which the generation is not - implemented as a class method, while still benefiting from the - parameter writing functionality of the class. - """ - - if len(r_shift_values) != len(eta_values): - raise TypeError('r_shift_values and eta_values must ' - 'have same length.') - if min(r_shift_values) < 0: - raise ValueError('r_shift_values must all be non-negative.') - if min(eta_values) <= 0: - raise ValueError('eta_values must all be greater than zero.') - # (re)set radial_paramgen_settings to None, indicating that custom - # values for (r_shift, eta) are used, rather than ones generated by - # class method. - self.radial_paramgen_settings = None - # set the values - self._r_shift_grid = np.array(r_shift_values) - self._eta_grid = np.array(eta_values) - - def check_writing_prerequisites(self, calling_method_name=None): - """Check if all data required for writing symmetry function sets are - present. - - | This comprises checking if the following have been set: - | - :py:attr:`~symfunc_type` - | - :py:attr:`~r_shift_grid` and :py:attr:`~eta_grid` - | - :py:attr:`~zetas`, if the symmetry function type is an angular one - - Parameters - ---------- - calling_method_name : string, optional - The name of another method that calls this method. - If this parameter is given, a modified error message is printed, - mentioning the method from which this error-raising method - was called. - This should make it clearer to a user in which part - of their code to look for an error. - - Returns - ------- - None - - Raises - ------ - ValueError - If values for r_shift or eta are not set. - ValueError - If an angular symmetry function type has been set, but no values - for zeta were set. - """ - self.check_symfunc_type(calling_method_name=calling_method_name) - - if calling_method_name is None: - if self._r_shift_grid is None or self._eta_grid is None: - raise ValueError('Values for r_shift and/or eta not set.') - if self.symfunc_type in ['angular_narrow', - 'angular_wide', - 'weighted_angular']: - if self.zetas is None: - raise ValueError( - f'Values for zeta not set (required for symmetry' - f' function type {self.symfunc_type}).\n' - f' If you are seeing this error despite having ' - f'previously set zetas, make sure\n' - f' they have not been cleared since by setting a ' - f'non-angular symmetry function type.') - else: - if self._r_shift_grid is None or self._eta_grid is None: - raise ValueError(f'Values for r_shift and/or eta not set. ' - f'Calling method {calling_method_name} ' - f'requires that values for r_shift and eta ' - f'have been set before.') - if self.symfunc_type in ['angular_narrow', - 'angular_wide', - 'weighted_angular']: - if self.zetas is None: - raise ValueError( - f'Values for zeta not set.\n ' - f'Calling {calling_method_name}, while using symmetry ' - f'function type {self.symfunc_type},\n' - f' requires zetas to have been set before.\n ' - f'If you are seeing this error despite having ' - f'previously set zetas, make sure\n' - f' they have not been cleared since by setting a ' - f'non-angular symmetry function type.') - - def write_settings_overview(self, fileobj: Optional[TextIO]=None): - """Write the settings the currently stored set of symmetry function - parameters was generated with. - - Parameters - ---------- - fileobj : `typing.TextIO`, optional - file object to write the settings information to. - If not given, write to sys.stdout instead. - - Returns - ------- - None - """ - this_method_name = inspect.currentframe().f_code.co_name - self.check_writing_prerequisites(calling_method_name=this_method_name) - - type_descriptions = dict(radial='Radial', - angular_narrow='Narrow angular', - angular_wide='Wide angular', - weighted_radial='Weighted radial', - weighted_angular='Weighted angular') - - if fileobj is None: - handle = sys.stdout - else: - handle = fileobj - - handle.write('########################################################' - '#################\n') - handle.write( - f'# {type_descriptions[self.symfunc_type]} symmetry function set, ' - f'for elements {self.elements}\n') - handle.write('########################################################' - '#################\n') - - handle.write(f'# r_cutoff = {self.r_cutoff}\n') - - # depending on whether radial parameters were generated using the - # method or custom-set (indicated by presence or absence of radial - # parameter generation settings), write the settings used or not - if self.radial_paramgen_settings is not None: - handle.write('# The following settings were used for generating ' - 'sets\n') - handle.write('# of values for the radial parameters r_shift and ' - 'eta:\n') - for key, value in self.radial_paramgen_settings.items(): - handle.write(f'# {key:14s} = {value}\n') - else: - handle.write('# A custom set of values was used for the radial ' - 'parameters r_shift and eta.\n') - handle.write('# Thus, there are no settings on radial parameter ' - 'generation available for display.\n') - - handle.write('# Sets of values for parameters:\n') - # set numpy print precision to lower number of decimal places for the - # following outputs - np.set_printoptions(precision=4) - - # printing numpy arrays causes linebreaks if they contain many entries. - # -> need to make sure that every single line in the output - # is prepended by "# " to make it into a comment. - outstring_r_shift = f'r_shift_grid = {self._r_shift_grid}' - handle.write('# ' + outstring_r_shift.replace("\n", "\n# ") + '\n') - outstring_eta = f'eta_grid = {self._eta_grid}' - handle.write('# ' + outstring_eta.replace("\n", "\n# ") + '\n') - - if self.symfunc_type in ['angular_narrow', - 'angular_wide', - 'weighted_angular']: - outstring_lambdas = f'lambdas = {self.lambdas}' - handle.write('# ' + outstring_lambdas.replace("\n", "\n# ") + '\n') - outstring_zetas = f'zetas = {self.zetas}' - handle.write('# ' + outstring_zetas.replace("\n", "\n# ") + '\n') - # reset numpy print precision to default - np.set_printoptions(precision=8) - handle.write('\n') - - def find_element_combinations(self): - """Create combinations of elements, depending on symmetry function type - and the elements in the system. - - For radial symmetry functions, the combinations are all possible - ordered pairs of elements in the system, including of an element with - itself. - For angular symmetry functions (narrow or wide), the combinations - consist of all possible elements as the central atom, and then again - for each central element all possible unordered pairs of neighbor - elements. - For weighted symmetry functions (radial or angular), the combinations - run only over all possible central elements, with neighbors not taken - into account at this stage. - - Returns - ------- - combinations : list of tuple of string - Each tuple in the list represents one element combination. Length - of the individual tuples can be 1, 2 or 3, depending on symmetry - function type. Zero-th entry of tuples is always the type of the - central atom, 1st and 2nd entry are neighbor atom types (radial sf: - one neighbor, angular sf: two neighbors, weighted sf: no neighbors) - """ - this_method_name = inspect.currentframe().f_code.co_name - self.check_symfunc_type(calling_method_name=this_method_name) - - combinations = [] - - if self.symfunc_type == 'radial': - for elem_central in self.elements: - for elem_neighbor in self.elements: - combinations.append((elem_central, elem_neighbor)) - elif self.symfunc_type in ['angular_narrow', 'angular_wide']: - for elem_central in self.elements: - for pair_of_neighbors in \ - itertools.combinations_with_replacement(self.elements, - 2): - comb = (elem_central,) + pair_of_neighbors - combinations.append(comb) - elif self.symfunc_type in ['weighted_radial', 'weighted_angular']: - for elem_central in self.elements: - combinations.append((elem_central,)) - - return combinations - - def filter_element_combinations(self,counts_list): - """Remove all element combination where the number of elements - occurances exceeds the given count - - I.e. if a molecule has 2 Carbon atoms then the element combination - (C, C, C) makes no sense. - """ - elements_list = self.elements - if counts_list is None: - return - if len(elements_list) != len(counts_list): - raise RuntimeError(f"Illegal argument elements: {elements_list}, counts: {counts_list}") - for ii in range(len(elements_list)): - new_combinations = [] - element = elements_list[ii] - count = counts_list[ii] - for combi in self._element_combinations: - if len(combi) == 1: - new_combinations.append(combi) - elif len(combi) == 2: - el1, el2 = combi - num = 0 - if el1 == element: - num += 1 - if el2 == element: - num += 1 - if num <= count: - new_combinations.append(combi) - elif len(combi) == 3: - el1, el2, el3 = combi - num = 0 - if el1 == element: - num += 1 - if el2 == element: - num += 1 - if el3 == element: - num += 1 - if num <= count: - new_combinations.append(combi) - self._element_combinations = new_combinations - - def write_parameter_strings(self, fileobj: Optional[TextIO]=None): - """Write symmetry function parameter sets, formatted as n2p2 requires. - - The output format is that required by the parameter file 'input.nn' - used by n2p2. The output is intended to be pasted/written to that - file. - - Each line in the output corresponds to one symmetry function. - - Output is formatted in blocks separated by blank lines, each block - corresponding to one element combination. The different blocks differ - from each other only in the element combinations and are otherwise - the same. - - Within each block, all combinations of the other parameters - r_shift, eta, lambda, zeta (the latter two only for angular - symmetry function types), are iterated over. - Note, however, that the value pairs for r_shift and eta are not - all the possible combinations of elements in r_shift_grid and eta_grid, - but only the combinations of the i-th entries of r_shift_grid with - the i-th entries of eta_grid. - - Schematic example: When r_shift_grid = [1, 2], eta_grid = [3, 4], - zetas = [5, 6], lambdas = [-1, 1] (the latter not being intended to be - set by the user, anyway), within each block of the output, the - method iterates over the following combinations of - (r_shift, eta, zeta, lambda): - - | (1, 3, 5, -1) - | (1, 3, 5, 1) - | (1, 3, 6, -1) - | (1, 3, 6, 1) - | (2, 4, 5, -1) - | (2, 4, 5, 1) - | (2, 4, 6, -1) - | (2, 4, 6, 1) - - Parameters - ---------- - fileobj : `typing.TextIO`, optional - file object to write the parameter strings to. - If not given, write to sys.stdout instead. - - Returns - ------- - None - """ - this_method_name = inspect.currentframe().f_code.co_name - self.check_writing_prerequisites(calling_method_name=this_method_name) - - if fileobj is None: - handle = sys.stdout - else: - handle = fileobj - - r_cutoff = self.r_cutoff - sf_number = self.symfunc_type_numbers[self.symfunc_type] - - if self.symfunc_type == 'radial': - for comb in self.element_combinations: - for (eta, rs) in zip(self._eta_grid, self._r_shift_grid): - handle.write( - f'symfunction_short {comb[0]:2s} {sf_number} ' - f'{comb[1]:2s} {eta:9.3E} {rs:9.3E} {r_cutoff:9.3E}\n') - handle.write('\n') - - elif self.symfunc_type in ['angular_narrow', 'angular_wide']: - for comb in self.element_combinations: - for (eta, rs) in zip(self._eta_grid, self._r_shift_grid): - for zeta in self.zetas: - for lambd in self.lambdas: - handle.write( - f'symfunction_short {comb[0]:2s} {sf_number} ' - f'{comb[1]:2s} {comb[2]:2s} {eta:9.3E} ' - f'{lambd:2.0f} {zeta:9.3E} {r_cutoff:9.3E} ' - f'{rs:9.3E}\n') - handle.write('\n') - - elif self.symfunc_type == 'weighted_radial': - for comb in self.element_combinations: - for (eta, rs) in zip(self._eta_grid, self._r_shift_grid): - handle.write( - f'symfunction_short {comb[0]:2s} {sf_number} ' - f'{eta:9.3E} {rs:9.3E} {r_cutoff:9.3E}\n') - handle.write('\n') - - elif self.symfunc_type == 'weighted_angular': - for comb in self.element_combinations: - for (eta, rs) in zip(self._eta_grid, self._r_shift_grid): - for zeta in self.zetas: - for lambd in self.lambdas: - handle.write( - f'symfunction_short {comb[0]:2s} {sf_number} ' - f'{eta:9.3E} {rs:9.3E} {lambd:2.0f} ' - f'{zeta:9.3E} {r_cutoff:9.3E} \n') - handle.write('\n') diff --git a/src/selection/__init__.py b/src/selection/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/selection/latest/__init__.py b/src/selection/latest/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/selection/latest/config.py b/src/selection/latest/config.py deleted file mode 100644 index cc1f4f1..0000000 --- a/src/selection/latest/config.py +++ /dev/null @@ -1,16 +0,0 @@ -from deepdrivemd.config import ModelSelectionTaskConfig - - -class LatestCheckpointConfig(ModelSelectionTaskConfig): - """Config for selecting the latest model checkpoint.""" - - # Number of DDMD iterations between training - retrain_freq: int = 1 - # Name of checkpoint directory in stage directory - checkpoint_dir: str = "checkpoint" - # Checkpoint file suffix - checkpoint_suffix: str = ".pt" - - -if __name__ == "__main__": - LatestCheckpointConfig().dump_yaml("latest_checkpoint_template.yaml") diff --git a/src/selection/latest/select_model.py b/src/selection/latest/select_model.py deleted file mode 100644 index 947ff90..0000000 --- a/src/selection/latest/select_model.py +++ /dev/null @@ -1,135 +0,0 @@ -from pathlib import Path -from typing import Optional, Tuple - -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.selection.latest.config import LatestCheckpointConfig -from deepdrivemd.utils import PathLike, Timer, parse_args - - -def get_model_path( - stage_idx: int = -1, - task_idx: int = 0, - api: Optional[DeepDriveMD_API] = None, - experiment_dir: Optional[PathLike] = None, -) -> Optional[Tuple[Path, Path]]: - """Get the current best model. - - Should be imported by other stages to retrieve the best model path. - - Parameters - ---------- - api : DeepDriveMD_API, optional - API to DeepDriveMD to access the machine learning model path. - experiment_dir : Union[str, Path], optional - Experiment directory to initialize DeepDriveMD_API. - - Returns - ------- - None - If model selection has not run before. - model_config : Path, optional - Path to the most recent model YAML configuration file - selected by the model selection stage. Contains hyperparameters. - model_checkpoint : Path, optional - Path to the most recent model weights selected by the model - selection stage. - - Raises - ------ - ValueError - If both :obj:`api` and :obj:`experiment_dir` are None. - """ - if api is None and experiment_dir is None: - raise ValueError("Both `api` and `experiment_dir` are None") - - if api is None: - assert experiment_dir is not None - api = DeepDriveMD_API(experiment_dir) - - data = api.model_selection_stage.read_task_json(stage_idx, task_idx) - if data is None: - return None - - model_config = Path(data[0]["model_config"]) - model_checkpoint = Path(data[0]["model_checkpoint"]) - - return model_config, model_checkpoint - - -def latest_checkpoint( - api: DeepDriveMD_API, - checkpoint_dir: str = "checkpoint", - checkpoint_suffix: str = ".pt", -) -> Path: - r"""Select latest PyTorch model checkpoint. - - Assuming the model outputs a `checkpoint_dir` directory with - `checkpoint_suffix` checkpoint files with the form - XXX__YYY_ZZZ...<`checkpoint_suffix`>, - return the path to the latest training epoch model checkpoint. - - Parameters - ---------- - api : DeepDriveMD_API - API to DeepDriveMD to access the machine learning model path. - checkpoint_dir : str, default="checkpoint" - Name of the checkpoint directory inside the model path. Note, - if checkpoint files are stored in the top level directory, set - checkpoint_dir="". - checkpoint_suffix : str, default=".pt" - The file extension for checkpoint files (.pt, .h5, etc). - - Returns - ------- - Path - Path to the latest model checkpoint file. - """ - task_dir = api.machine_learning_stage.task_dir() - assert task_dir is not None - checkpoint_files = task_dir.joinpath(checkpoint_dir).glob(f"*{checkpoint_suffix}") - # Format: epoch-1-20200922-131947.pt, select latest epoch checkpoint - return max(checkpoint_files, key=lambda x: int(x.name.split("-")[1])) - - -def latest_model_checkpoint(cfg: LatestCheckpointConfig) -> None: - """Select the latest model checkpoint and write path to JSON. - - Find the latest model checkpoint written by the machine learning - stage and write the path into a JSON file to be consumed by the - agent stage. - - Parameters - ---------- - cfg : LatestCheckpointConfig - pydantic YAML configuration for model selection task. - """ - api = DeepDriveMD_API(cfg.experiment_directory) - - # Check if there is a new model - if cfg.stage_idx % cfg.retrain_freq == 0: - # Select latest model checkpoint. - model_checkpoint = latest_checkpoint( - api, cfg.checkpoint_dir, cfg.checkpoint_suffix - ) - # Get latest model YAML configuration. - model_config = api.machine_learning_stage.config_path( - cfg.stage_idx, cfg.task_idx - ) - else: # Use old model - token = get_model_path(cfg.stage_idx - 1, cfg.task_idx, api) - assert token is not None, f"{cfg.stage_idx - 1}, {cfg.task_idx}" - model_config, model_checkpoint = token - - # Format data into JSON serializable list of dictionaries - data = [ - {"model_checkpoint": str(model_checkpoint), "model_config": str(model_config)} - ] - # Dump metadata to disk for MD stage - api.model_selection_stage.write_task_json(data, cfg.stage_idx, cfg.task_idx) - - -if __name__ == "__main__": - with Timer("model_selection_stage"): - args = parse_args() - cfg = LatestCheckpointConfig.from_yaml(args.config) - latest_model_checkpoint(cfg) diff --git a/src/sim/__init__.py b/src/sim/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/sim/lammps/__init__.py b/src/sim/lammps/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/sim/lammps/ase_lammps.py b/src/sim/lammps/ase_lammps.py deleted file mode 100644 index 3a23120..0000000 --- a/src/sim/lammps/ase_lammps.py +++ /dev/null @@ -1,424 +0,0 @@ -"""Define the setup for a short LAMMPS MD simulation using DeePMD - -Note that DeepDriveMD mainly thinks in terms of biomolecular structures. -Therefore it passes molecular structures around in PDB files. LAMMPS is -a general MD code that is more commonly used for materials (DL_POLY is -another example of such an MD code). Hence PDB files are strangers in -LAMMPS's midst, but with the DeePMD force field this should be workable. - -Approach: - - Take the geometry in a PDB file - - Take the force specification - - Take the temperature - - Take the number of time steps - - Write the input file - - Run the MD simulation - - Check whether any geometries were flagged - - Convert the trajectory for DeepDriveMD -""" - -import ase -import glob -import itertools -import MDAnalysis as mda -import deepdrivemd.models.n2p2.n2p2 as n2p2 -import numpy as np -import operator -import os -import subprocess -import sys -from ase.calculators.lammpsrun import LAMMPS -from ase.data import atomic_masses, chemical_symbols -from ase.io import iread -from ase.io.lammpsdata import read_lammps_data, write_lammps_data -from ase.io.proteindatabank import read_proteindatabank, write_proteindatabank -from deepdrivemd.sim.lammps.config import LAMMPSConfig -from MDAnalysis.analysis import distances, rms -from mdtools.analysis.order_parameters import fraction_of_contacts -from mdtools.writers import write_contact_map, write_point_cloud, write_fraction_of_contacts, write_rmsd -from mdtools.nwchem.reporter import OfflineReporter -from os import PathLike -from pathlib import Path -from typing import List - -N2P2 = 1 -DEEPMD = 2 -env_model = os.getenv('FF_MODEL') -if env_model == "DEEPMD": - model = DEEPMD -elif env_model == "N2P2": - model = N2P2 -else: - model = DEEPMD - -class Atoms: - """Atoms class to trick MD-tools reporter.""" - def __init__(self,atom_lst: List): - self._atoms = atom_lst - def atoms(self): - return self._atoms - -class Simulation: - """Simulation class to trick MD-tools reporter. - - MD-tools (https://github.com/hjjvandam/MD-tools/tree/nwchem) was - originally designed to support OpenMM calculations in DeepDriveMD. - I just want to run LAMMPS, and use MD-tools to convert the DCD file - produced to a contact map file in HDF5 as required by DeepDriveMD. - At the same time I don't want to bring all of OpenMM into my - environment just to be able to run this conversion. This Simulation - class with the Atoms class above allows me to give the OfflineReporter - what it needs without bringing all the OpenMM baggage along. - """ - def __init__(self,pdb_file): - self.pdb_file = Path(pdb_file) - universe = mda.Universe(pdb_file,pdb_file) - atomgroup = universe.select_atoms("all") - atoms = [ag for ag in atomgroup] - self.topology = Atoms(atoms) - -def _sort_uniq(sequence): - """Return a sorted sequence of unique instances. - - See https://stackoverflow.com/questions/2931672/what-is-the-cleanest-way-to-do-a-sort-plus-uniq-on-a-python-list - """ - return map(operator.itemgetter(0),itertools.groupby(sorted(sequence))) - -def lammps_input(pdb: PathLike, train: PathLike, traj: PathLike, freq: int, steps: int) -> None: - """Create the LAMMPS input file. - - The DeePMD models live in directories: - - {train}/train-*/compressed_model.pb - - The N2P2 models live in directories: - - {train}/train-*/weights.*.data - - The frequency specified here needs to match that in the - trajectory checking. The trajectory will contain only - (#steps)/(freq) frames, whereas "model_devi.out" labels - each structure by the original timestep ("model_devi.out" is - produced only by the DeePMD force field, for N2P2 we need to - generate something similar ourselves). - - Arguments: - pdb -- the PDB file with the structure - train -- the path to the directory above the DeePMD models - traj -- the DCD trajectory file - freq -- frequency of generating output - """ - global model, DEEPMD, N2P2 - cwd = os.getcwd() - temperature = 300.0 - subprocess.run(["cp",str(pdb),"lammps_input.pdb"]) - atoms = read_proteindatabank(pdb,index=0) - pbc = atoms.get_pbc() - if all(pbc): - cell = atoms.get_cell() - elif not any(pbc): - cell = 2 * np.max(np.abs(atoms.get_positions())) * np.eye(3) - atoms.set_cell(cell) - lammps_data = Path(cwd,"data_lammps_structure") - lammps_input = Path(cwd,"in_lammps") - lammps_trj = Path(traj) - lammps_out = Path(cwd,"out_lammps") - if model == DEEPMD: - # Taking compressed models out for now due to disk space limitations. - # The compressed models are 10x larger than the uncompressed ones - # (also raising questions about what compression means here). - #deep_models = glob.glob(str(Path(train,"train-*/compressed_model.pb"))) - deep_models = glob.glob(str(Path(train,"train-*/model.pb"))) - elif model == N2P2: - deep_models = str(Path(train,"train-1")) - else: - raise RuntimeError(f"Illegal value for model {model}") - with open(lammps_data,"w") as fp: - write_lammps_data(fp,atoms) - with open(lammps_input,"w") as fp: - fp.write( "clear\n") - fp.write( "atom_style atomic\n") - fp.write( "units metal\n") - fp.write( "atom_modify sort 0 0.0\n\n") - fp.write(f"read_data {lammps_data}\n\n") - if model == DEEPMD: - pair_style = "pair_style deepmd" - for model in deep_models: - pair_style += f" {model}" - fp.write(f"{pair_style}\n") - fp.write( "pair_coeff * *\n\n") - elif model == N2P2: - pair_style = f"pair_style nnp maxew 1000000 resetew yes dir {deep_models} emap \"" - fp.write(f"{pair_style}") - element_list = list(enumerate(_sort_uniq(atoms.get_chemical_symbols()))) - for i, cs in element_list: - ii = i+1 - fp.write(f"{ii}:{cs}") - if ii < len(element_list): - fp.write(",") - fp.write("\"\n") - fp.write( "pair_coeff * * 6.0\n\n") - else: - raise RuntimeError(f"Invalid value of model {model}") - for i, cs in enumerate(_sort_uniq(atoms.get_chemical_symbols())): - ii = i+1 - mass = atomic_masses[chemical_symbols.index(cs)] - fp.write(f"mass {ii} {mass}\n") - fp.write( "\n") - fp.write( "fix fix_nve all nve\n") - fp.write( "minimize 1.0e-4 1.0e-6 100 1000\n") - fp.write( "unfix fix_nve\n") - fp.write( "\n") - fp.write( "timestep 0.000025\n") # was 0.001 - fp.write(f"fix fix_nvt all nvt temp {temperature} {temperature} $(100.0*dt)\n") - fp.write(f"dump dump_all all dcd {freq} {lammps_trj}\n") - fp.write( "thermo_style custom step temp etotal ke pe atoms\n") - fp.write(f"thermo {freq}\n") - fp.write(f"run {steps} upto\n") - fp.write( "print \"__end_of_ase_invoked_calculation__\"\n") - fp.write(f"log {lammps_out}\n") - -def run_lammps() -> None: - """Run a LAMMPS calculation. - - Note that ASE gets the LAMMPS executable from the - environment variable ASE_LAMMPSRUN_COMMAND. - """ - lammps_exe = Path(os.environ.get("ASE_LAMMPSRUN_COMMAND")) - if not lammps_exe: - raise RuntimeError("run_lammps: ASE_LAMMPSRUN_COMMAND undefined") - if not Path(lammps_exe).is_file(): - raise RuntimeError("run_lammps: ASE_LAMMPSRUN_COMMAND("+str(lammps_exe)+") is not a file") - with open("in_lammps","r") as fp_in: - subprocess.run([lammps_exe],stdin=fp_in) - -def lammps_get_devi(trj_file: PathLike, pdb_file: PathLike) -> None: - """N2P2 does not produce "model_devi.out" so we need to create it - - DeePMD automatically compares the results from the different models - for each of the structures in the trajectory, and summarizes the outcome - in the file "model_devi.out". - - N2P2 assumes that your model is fully trained for all conceivable cases - before you start running any MD. So it doesn't have an internal measure - for the precision of the model. Hence we need to replicate this - feature. - """ - if model == DEEPMD: - return - # make a sub-directory for each model - scaling_name = Path("scaling.data") - input_name = Path("input.nn") - train_path = Path("..")/".."/".."/".."/"models"/"n2p2" - scaling_path = train_path/"scaling"/"scaling.data" - input_path = train_path/"scaling"/"input.nn" - if not input_path.exists(): - train_path = Path("..")/".."/"n2p2"/"train-1" - scaling_path = train_path/"scaling.data" - input_path = train_path/"input.nn" - train_path = Path("..")/".."/"n2p2" - for ii in range(1,5): - dir_name = f"model-{str(ii)}" - os.makedirs(dir_name,exist_ok=True) - os.chdir(dir_name) - subprocess.run(["ln","-s",str(scaling_path),str(scaling_name)]) - subprocess.run(["ln","-s",str(input_path), str(input_name)]) - weights = glob.glob(str(Path(train_path)/f"train-{str(ii)}"/"weights.???.data")) - for pathname in weights: - filename = os.path.basename(pathname) - if not os.path.exists(filename): - subprocess.run(["ln","-s",str(pathname),str(filename)]) - os.chdir("..") - universe = mda.Universe(pdb_file,trj_file) - selection = universe.select_atoms("all") - with open("model_devi.out","w") as fdevi: - step = -1 - fdevi.write("# step max_devi_v min_devi_v avg_devi_v max_devi_f min_devi_f avg_devi_f\n") - for ts in universe.trajectory: - step += 1 - molecules = [] - for ii in range(1,5): - dir_name = f"model-{str(ii)}" - os.chdir(dir_name) - write_input_data(selection) - n2p2.run_predict() - with open("output.data","r") as fp: - molecule = n2p2.read_molecule(fp) - molecules.append(molecule) - os.chdir("..") - (e_max,e_min,e_avg,f_max,f_min,f_avg) = n2p2.compare_molecules(molecules) - fdevi.write(f" {step:11d} {e_max:16e} {e_min:16e} {e_avg:16e} {f_max:16e} {f_min:16e} {f_avg:16e}\n") - -def write_input_data(selection) -> None: - """Given a structure write it to input.data - - The input.data is the N2P2 structure file. This function writes - a single given structure as an input.data file. As we plan - to give this file to nnp-predict we only need the atomic - coordinates. The nnp-predict tool will produce the energy - and forces for this structure. - """ - with open("input.data","w") as fp: - fp.write("begin\n") - fp.write("comment structure\n") - for atom in selection: - x1, y1, z1 = atom.position - e1 = atom.element - fx1, fy1, fz1 = 0.0, 0.0, 0.0 - c1, n1 = 0.0, 0.0 - fp.write(f"atom {x1} {y1} {z1} {e1} {c1} {n1} {fx1} {fy1} {fz1}\n") - fp.write("charge 0.0\n") - fp.write("end\n") - - -def lammps_questionable(force_crit_lo: float, force_crit_hi: float, freq: int) -> List[int]: - """Return a list of all structures with large force mismatches. - - There are two criteria. If the difference in the forces exceeds - the lower criterion then the corresponding structure should be - added to the training set. If the difference exceeds the higher - criterion for any point then the errors are so severe that the - trajectory should be considered non-physical. So its structures - should not be used in the DeepDriveMD loop. - - Arguments: - force_crit_lo -- the lower force criterion - force_crit_hi -- the higher force criterion - """ - structures = [] - failed = False - with open("model_devi.out","r") as fp: - # First line is just a line of headers - line = fp.readline() - # First line of real data - line = fp.readline() - while line: - ln_list = line.split() - struct_id = int(ln_list[0]) - error = float(ln_list[4]) - if error > force_crit_lo: - if struct_id % freq != 0: - raise RuntimeError("lammps_questionable: frequency mismatch") - structures.append(int(struct_id/freq)) - if error > force_crit_hi: - failed = True - line = fp.readline() - return (failed, structures) - -def lammps_save_model_devi() -> None: - """Copy model_devi.out to a unique name for future reference - - Model_devi.out details the deviation between the different DeePMD - models. This information should be kept to evaluate how the DeePMD - models improve over time with more training data. To generate - a unique name we simply hash the contents of the file and append - the hash to the filename. - """ - import hashlib - with open("model_devi.out","rb") as fp: - lines = fp.readlines() - h = hashlib.sha256() - for line in lines: - h.update(line) - hashkey = h.hexdigest() - with open("model_devi.out-"+str(hashkey),"wb") as fp: - fp.writelines(lines) - -#class lammps_txt_trajectory: -# """A class to deal with LAMMPS trajectory data in txt format. -# -# A class instance manages a single trajectory file. -# - Creating an instance opens the trajectory file. -# - Destroying an instance closes the trajectory file. -# - Read will read the next timestep from the trajectory file. -# """ -# def __init__(self, trj_file: PathLike, pdb_orig: PathLike): -# """Create a trajectory instance for trj_file. -# -# This constructor needs the PDB file from which the LAMMPS -# calculation was generated. In generating the LAMPS input -# the chemical element information was discarded. This means -# that the Atoms objects contain chemical nonsense information. -# By extracting the chemical element information from the -# PDB file this information can be restored before returning -# the Atoms object. -# -# Arguments: -# trj_file -- the filename of the trajectory file -# pdb_orig -- the filename of the PDB file -# """ -# self.trj_file = trj_file -# self.trj_file_it = iread(trj_file,format="lammps-dump-text") -# atoms = read_proteindatabank(pdb_orig) -# self.trj_atomicno = atoms.get_atomic_numbers() -# self.trj_symbols = atoms.get_chemical_symbols() -# -# def next(self) -> ase.Atoms: -# atoms = next(self.trj_file_it,None) -# if atoms: -# atoms.set_atomic_numbers(self.trj_atomicno) -# atoms.set_chemical_symbols(self.trj_symbols) -# return atoms - -def lammps_to_pdb(trj_file: PathLike, pdb_file: PathLike, indeces: List[int], data_dir: PathLike): - """Write timesteps from the LAMMPS DCD format trajectory to PDB files.""" - if not os.path.exists(data_dir): - os.mkdir(data_dir) - if not Path(data_dir).is_dir(): - raise RuntimeError(f"{data_dir} exists but is not a directory") - hashno = str(abs(hash(trj_file))) - universe = mda.Universe(pdb_file,trj_file) - selection = universe.select_atoms("all") - ii = 0 - istep_trj = -1 - pdb_list = [] - if ii >= len(indeces): - # We are done - with open("pdb_files.txt","w") as fp: - for pdb_file in pdb_list: - print(pdb_file, file=fp) - return - istep_lst = indeces[ii] - for ts in universe.trajectory: - istep_trj +=1 - while istep_lst < istep_trj: - ii += 1 - if ii >= len(indeces): - # We are done - with open("pdb_files.txt","w") as fp: - for pdb_file in pdb_list: - print(pdb_file, file=fp) - return - istep_lst = indeces[ii] - print(f"lst, trj: {istep_lst} {istep_trj}") - if istep_lst == istep_trj: - # Convert this structure to PDB - filename = Path(data_dir,f"atoms_{hashno}_{istep_trj}.pdb") - with mda.Writer(filename,universe.trajectory.n_atoms) as wrt: - wrt.write(selection) - pdb_list.append(filename) - with open("pdb_files.txt","w") as fp: - for pdb_file in pdb_list: - print(pdb_file, file=fp) - -def lammps_contactmap(cfg: LAMMPSConfig, trj_file: PathLike, pdb_file: PathLike, hdf5_file: PathLike, report_steps: int, total_steps: int): - """Write timesteps from the LAMMPS DCD format trajectory to PDB files.""" - hashno = str(abs(hash(trj_file))) - trj = mda.Universe(pdb_file,trj_file) - pdb = mda.Universe(pdb_file,pdb_file) - sim = Simulation(pdb_file) - frames_per_h5 = int(total_steps/report_steps) - - reporter = OfflineReporter( - hdf5_file,report_steps,frames_per_h5=frames_per_h5, - wrap_pdb_file=None,reference_pdb_file=pdb_file, - openmm_selection=cfg.lammps_selection, - mda_selection=cfg.mda_selection, - threshold=8.0, - contact_map=cfg.contact_map, - point_cloud=cfg.point_cloud, - fraction_of_contacts=cfg.fraction_of_contacts) - num_frames = 0 - for ts in trj.trajectory: - num_frames += 1 - reporter.report(sim,ts) diff --git a/src/sim/lammps/ase_lammps_test.py b/src/sim/lammps/ase_lammps_test.py deleted file mode 100644 index d7acf12..0000000 --- a/src/sim/lammps/ase_lammps_test.py +++ /dev/null @@ -1,60 +0,0 @@ -"""Test the ase_lammps functionality.""" -import ase_lammps -import glob -import os -from deepdrivemd.sim.lammps.config import LAMMPSConfig -from pathlib import Path - -N2P2=1 -DEEPMD=2 -env_model = os.getenv("FF_MODEL") -if env_model == "DEEPMD": - model = DEEPMD -elif env_model == "N2P2": - model = N2P2 -else: - model = DEEPMD - -cwd = os.getcwd() -pdb = Path(cwd,"../../../data/h2co/system/h2co-unfolded.pdb") -test_dir = "test_dir" -os.mkdir(test_dir) -config_file = Path(test_dir, "config.yaml") -lammpscfg = LAMMPSConfig(reference_pdb_file = pdb) -lammpscfg.dump_yaml(str(config_file)) -cfg = LAMMPSConfig.from_yaml(str(config_file)) -if model == DEEPMD: - train = Path(cwd,"../../models/deepmd") -elif model == N2P2: - train = Path(cwd,"../../models/n2p2") -data_dir = "pdbs" -trajectory = Path(cwd,test_dir,"trj_lammps.dcd") -if model == DEEPMD: - freq = 100 - steps = 10000 -elif model == N2P2: - freq = 1 - steps = 100 -os.chdir(test_dir) - -ase_lammps.lammps_input(pdb,train,trajectory,freq,steps) -ase_lammps.run_lammps() -ase_lammps.lammps_get_devi(trajectory,pdb) -failed, struct = ase_lammps.lammps_questionable(0.1,0.3,freq) -if failed: - print("Reject trajectory") -else: - print("Accept trajectory") -print(struct) -trajectory = Path(cwd,test_dir,"trj_lammps.dcd") -hdf5_basename = Path(cwd,test_dir,"trj_lammps") -ase_lammps.lammps_to_pdb(trajectory,pdb,struct,data_dir) -ase_lammps.lammps_contactmap(cfg,trajectory,pdb,hdf5_basename,freq,steps) - -exit() - -trajectories = glob.glob("scratch/trj_lammps*") -for trajectory in trajectories: - print(trajectory) - ase_lammps.lammps_to_pdb(trajectory,pdb,struct,data_dir) - diff --git a/src/sim/lammps/config.py b/src/sim/lammps/config.py deleted file mode 100644 index 4dc5310..0000000 --- a/src/sim/lammps/config.py +++ /dev/null @@ -1,68 +0,0 @@ -from enum import Enum -from pathlib import Path -from typing import Any, Dict, List, Optional - -from pydantic import root_validator - -from deepdrivemd.config import MolecularDynamicsTaskConfig - - -class LAMMPSConfig(MolecularDynamicsTaskConfig): - class MDSolvent(str, Enum): - none = "none" - implicit = "implicit" - explicit = "explicit" - - solvent_type: MDSolvent = MDSolvent.none - # LAMMPS does not have a separate topology file, it just uses the input file. - #top_suffix: Optional[str] = ".top" # Topology suffix - # We run only short MD simulations so we have no need to restart anything. - #rst_suffix: Optional[str] = ".rst" # Restart suffix - simulation_length_ns: float = 0.0025 - report_interval_ps: float = 0.0025 - dt_ps: float = 0.00025 - temperature_kelvin: float = 300.0 - #heat_bath_friction_coef: float = 1.0 # not available for Berendsen thermostat - # Whether to wrap system, only implemented for nsp system - # TODO: generalize this implementation. - wrap: bool = False - # Reference PDB file used to compute RMSD and align point cloud - reference_pdb_file: Optional[Path] - # LAMMPS install prefix directory - lammps_prefix_path: Optional[Path] = None - # Atom selection for LAMMPS - # In some places the full atom name is used (e.g. H1 or H2) and in some places just - # the chemical symbol survives (e.g. H). So for consistency we need to list both. - lammps_selection: List[str] = ["H", "H1", "H2", "H3", "H4", "C", "C1", "C2", "N", "O"] - # Atom selection for MDAnalysis - mda_selection: str = "(name H* C* N* O*)" - # Distance threshold to use for computing contact (in Angstroms) - threshold: float = 8.0 - # Write contact maps to HDF5 - contact_map: bool = False - # Write point clouds to HDF5 - point_cloud: bool = True - # Write fraction of contacts to HDF5 - fraction_of_contacts: bool = False - # Read outlier trajectory into memory while writing PDB file - in_memory: bool = True - # Directory with the initial PDB file - initial_pdb_dir: Optional[Path] = None - # Directory where the DeePMD models live - train_dir: Optional[Path] = None - - #@root_validator() - #def explicit_solvent_requires_top_suffix( - # cls, values: Dict[str, Any] - #) -> Dict[str, Any]: - # top_suffix = values.get("top_suffix") - # solvent_type = values.get("solvent_type") - # if solvent_type == "explicit" and top_suffix is None: - # raise ValueError( - # "Explicit solvents require a topology file with non-None suffix" - # ) - # return values - - -if __name__ == "__main__": - LAMMPSConfig().dump_yaml("lammps_template.yaml") diff --git a/src/sim/lammps/main_ase_lammps.py b/src/sim/lammps/main_ase_lammps.py deleted file mode 100644 index e53478e..0000000 --- a/src/sim/lammps/main_ase_lammps.py +++ /dev/null @@ -1,60 +0,0 @@ -"""Test the ase_lammps functionality.""" -import ase_lammps -import glob -import os -from pathlib import Path -from deepdrivemd.sim.lammps.config import LAMMPSConfig -import sys - -N2P2=1 -DEEPMD=2 -env_model = os.getenv("FF_MODEL") -if env_model == "DEEPMD": - model = DEEPMD -elif env_model == "N2P2": - model = N2P2 -else: - model = DEEPMD - -cwd = os.getcwd() -test_dir = Path(sys.argv[1]) -config_file = Path(test_dir, "config.yaml") -cfg = LAMMPSConfig.from_yaml(str(config_file)) -pdb = Path(sys.argv[2],"*.pdb") -if len(sys.argv) == 3: - train = Path(test_dir,"../../../deepmd") -else: - train = Path(sys.argv[3]) -pdbs = glob.glob(str(pdb)) -pdb = Path(pdbs[0]) -data_dir = "pdbs" -trajectory = Path(cwd,test_dir,"trj_lammps.dcd") -hdf5_basename = Path(cwd,test_dir,"trj_lammps") -print("Begin LAMMPS run") -print(str(sys.argv),file=sys.stderr) -if model == DEEPMD: - freq = 100 - steps = 10000 -else: - freq = 1 - steps = 100 -if not test_dir.exists(): - os.makedirs(test_dir,exist_ok=True) -os.chdir(test_dir) - -ase_lammps.lammps_input(pdb,train,trajectory,freq,steps) -ase_lammps.run_lammps() -ase_lammps.lammps_get_devi(trajectory,pdb) -failed, struct = ase_lammps.lammps_questionable(0.0003,0.3,freq) -success = not failed -with open("lammps_success.txt", "w") as fp: - print(success, file=fp) -if failed: - print("Reject trajectory") -else: - print("Accept trajectory") -print(struct) -ase_lammps.lammps_to_pdb(trajectory,pdb,struct,data_dir) -ase_lammps.lammps_contactmap(cfg,trajectory,pdb,hdf5_basename,freq,steps) -ase_lammps.lammps_save_model_devi() -print("Done LAMMPS run") diff --git a/src/sim/lammps/run_lammps.py b/src/sim/lammps/run_lammps.py deleted file mode 100644 index d95ff24..0000000 --- a/src/sim/lammps/run_lammps.py +++ /dev/null @@ -1,353 +0,0 @@ -import shutil -import os -import sys -import time -from pathlib import Path -from typing import Optional - -#import deepdrivemd.sim.lammps.ase_lammps -import ase_lammps -import openmm -import openmm.unit as u # type: ignore[import] -import openmm.app as app # type: ignore[import] -from mdtools.nwchem.reporter import OfflineReporter # type: ignore[import] - -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.sim.lammps.config import LAMMPSConfig -#from deepdrivemd.sim.lammps import ase_lammps -from deepdrivemd.utils import Timer, parse_args - -import MDAnalysis -import subprocess - - -class SimulationContext: - def __init__(self, cfg: LAMMPSConfig): - - self.cfg = cfg - self.api = DeepDriveMD_API(cfg.experiment_directory) - self._prefix = self.api.molecular_dynamics_stage.unique_name(cfg.output_path) - self._top_file: Optional[Path] = None - self._rst_file: Optional[Path] = None - - # Use node local storage if available. Otherwise, write to output directory. - if cfg.node_local_path is not None: - self.workdir = cfg.node_local_path.joinpath(self._prefix) - else: - self.workdir = cfg.output_path - - self._init_workdir() - - @property - def _sim_prefix(self) -> Path: - return self.workdir.joinpath(self._prefix) - - @property - def pdb_file(self) -> str: - return self._pdb_file.as_posix() - - @property - def train_dir(self) -> str: - return self.cfg.train_dir.as_posix() - - @property - def traj_file(self) -> str: - return self._sim_prefix.with_suffix(".dcd").as_posix() - - @property - def h5_prefix(self) -> str: - return self._sim_prefix.as_posix() - - @property - def log_file(self) -> str: - return self._sim_prefix.with_suffix(".log").as_posix() - - @property - def top_file(self) -> Optional[str]: - if self._top_file is None: - return None - return self._top_file.as_posix() - - @property - def rst_file(self) -> Optional[str]: - if self._rst_file is None: - return None - return self._rst_file.as_posix() - - @property - def reference_pdb_file(self) -> Optional[str]: - if self.cfg.reference_pdb_file is None: - return None - return self.cfg.reference_pdb_file.as_posix() - - def _init_workdir(self) -> None: - """Setup workdir and change into it.""" - - self.workdir.mkdir(exist_ok=True) - - self._pdb_file = self._get_pdb_file() - - os.chdir(self.workdir) - - def _get_pdb_file(self) -> Path: - if self.cfg.pdb_file is not None: - # Initial iteration - return self._copy_pdb_file() - - # Iterations after outlier detection - outlier = self.api.get_restart_pdb(self.cfg.task_idx, self.cfg.stage_idx - 1) - system_name = self.api.get_system_name(outlier["structure_file"]) - pdb_file = self.workdir.joinpath(f"{system_name}__{self._prefix}.pdb") - self.api.write_pdb( - pdb_file, - outlier["structure_file"], - outlier["traj_file"], - outlier["frame"], - self.cfg.in_memory, - ) - return pdb_file - - def _copy_pdb_file(self) -> Path: - assert self.cfg.pdb_file is not None - copy_to_file = self.api.get_system_pdb_name(self.cfg.pdb_file) - local_pdb_file = shutil.copy( - self.cfg.pdb_file, self.workdir.joinpath(copy_to_file) - ) - return Path(local_pdb_file) - - def _copy_top_file(self) -> Path: - """LAMMPS does not have a topology file as such.""" - return None - #assert self.cfg.top_suffix is not None - #top_file = self.api.get_topology( - # self.cfg.initial_pdb_dir, Path(self.pdb_file), self.cfg.top_suffix - #) - #assert top_file is not None - #local_top_file = shutil.copy(top_file, self.workdir.joinpath(top_file.name)) - #return Path(local_top_file) - - def _copy_rst_file(self) -> Path: - """We don't bother with restart files with LAMMPS.""" - return None - #assert self.cfg.rst_suffix is not None - ## We can abuse get_topology to get the restart file, the only difference is the suffix - ## Nevertheless, we might want to change the API. - #rst_file = self.api.get_topology( - # self.cfg.initial_pdb_dir, Path(self.pdb_file), self.cfg.rst_suffix - #) - #assert rst_file is not None - #local_rst_file = shutil.copy(rst_file, self.workdir.joinpath(rst_file.name)) - #return Path(local_rst_file) - - def move_results(self) -> None: - ''' - Move all files from the work directory to the output directory - - With LAMMPS in the DeePMD setup this data includes two different - categories of data: - - PDB files -- structures to be added to the training set - - DCD and H5 files -- trajectory data for the conventional DeepDriveMD loop - ''' - if self.workdir != self.cfg.output_path: - for p in self.workdir.iterdir(): - shutil.move(str(p), str(self.cfg.output_path.joinpath(p.name))) - -class Simulation: - def __init__(self,pdb_file): - self.pdb_file = Path(pdb_file) - self.reporters = [] - self.topology = app.PDBFile(str(self.pdb_file)).topology - -def configure_reporters( - sim: "app.Simulation", - ctx: SimulationContext, - cfg: LAMMPSConfig, - report_steps: int, - frames_per_h5: int, -) -> None: - # Configure DCD file reporter - sim.reporters.append(app.DCDReporter(ctx.traj_file, report_steps)) - - # Configure contact map reporter - sim.reporters.append( - OfflineReporter( - ctx.h5_prefix, - report_steps, - frames_per_h5=frames_per_h5, - wrap_pdb_file=ctx.pdb_file if cfg.wrap else None, - reference_pdb_file=ctx.reference_pdb_file, - openmm_selection=cfg.lammps_selection, - mda_selection=cfg.mda_selection, - threshold=cfg.threshold, - contact_map=cfg.contact_map, - point_cloud=cfg.point_cloud, - fraction_of_contacts=cfg.fraction_of_contacts, - ) - ) - - # Configure simulation output log - sim.reporters.append( - app.StateDataReporter( - ctx.log_file, - report_steps, - step=True, - time=True, - speed=True, - potentialEnergy=True, - temperature=True, - totalEnergy=True, - ) - ) - -def configure_simulation( - init_pdb_dir, # init_pdb_dir=ctx.init_pdb_dir, - pdb_file, # pdb_file=ctx.pdb_file, - train_dir, # train_dir=ctx.train_dir, - trajectory_file, # trajectory_file=ctx.traj_file - solvent_type, # solvent_type=cfg.solvent_type, - dt_ps, # dt_ps=cfg.dt_ps, - temperature_kelvin, # temperature_kelvin=cfg.temperature_kelvin, - lammps_prefix_path # lammps_prefix_path=cfg.lammps_prefix_path - ) -> None: - # Generate input file - ase_lammps.lammps_input(pdb_file,train_dir,trajectory_file,10,10000) - # For the simplest case we run LAMMPS on a single formaldehyde molecule - # Minimization and equilibration would just restore the system to the - # original configuration, which is pointless. So for now we skip all - # that and go straight to the MD. - # Note that in NWChem we could equilibrate the system by taking shorter - # timesteps and reassigning the velocities every timestep for a number - # steps. This seemed rather effective but I haven't found a way to do - # something similar in LAMMPS. - # Run prepare - -def run_steps( - dt_ps, # dt_ps=cfg.dt_ps, - time_ns, # time_ns=ctx.simulation_length_ns, - report_ps, # report_ps=ctx.report_interval_ps, - temperature_k, # temperature_k=cfg.temperature_kelvin, - lammps_prefix_path # nwchem_top_dir=cfg.nwchem_top_dir - ) -> None: - #do_dynamics = True - ase_lammps.run_lammps() - #nwchem.gen_input_analysis() - #nwchem.run_nwchem(nwchem_top_dir,"_analysis") - #nwchem.fix_nwchem_xyz("nwchemdat_md.xyz") - -def run_simulation(cfg: LAMMPSConfig) -> None: - - # Handle files - max_retries = 3 - with Timer("molecular_dynamics_SimulationContext"): - ctx = SimulationContext(cfg) - - # Create nwchem simulation object - with Timer("molecular_dynamics_configure_simulation"): - configure_simulation( - init_pdb_dir=cfg.initial_pdb_dir.joinpath("system"), - pdb_file=ctx.pdb_file, - train_dir=ctx.train_dir, - trajectory_file=ctx.traj_file, - solvent_type=cfg.solvent_type, - dt_ps=cfg.dt_ps, - temperature_kelvin=cfg.temperature_kelvin, - lammps_prefix_path=cfg.lammps_prefix_path - ) - - # openmm typed variables - dt_ps = cfg.dt_ps * u.picoseconds - report_interval_ps = cfg.report_interval_ps * u.picoseconds - simulation_length_ns = cfg.simulation_length_ns * u.nanoseconds - - # Write all frames to a single HDF5 file - # Steps between reporting DCD frames and logs - report_steps = int(report_interval_ps / dt_ps) - # Number of steps to run each simulation - nsteps = int(simulation_length_ns / dt_ps) - # Number of frames to report in the HDF5 file, chosen to save all reported steps - frames_per_h5 = int(nsteps / report_steps) - - # Run simulation for nsteps - with Timer("molecular_dynamics_step"): - run_steps( - dt_ps=cfg.dt_ps, - time_ns=cfg.simulation_length_ns, - report_ps=cfg.report_interval_ps, - temperature_k=cfg.temperature_kelvin, - lammps_prefix_path=cfg.lammps_prefix_path - ) - - # We need to report on structures from the trajectory file. - # OpenMM seems to write frames DCD files, but NWChem cannot. - # The regular OffLineReporter seems to store data in HDF5 files - # NWChem can produce trajectory in CRD files, or XYZ files. - # The MDAnalysis module seems to be able to read XYZ files, - # and can write DCD files. The DCD file can be converted - # into HDF5 using what the regular OffLineReporter could - # do already. - with Timer("molecular_dynamics_analysis"): - if not ctx.reference_pdb_file: - pdb_file = ctx.pdb_file - else: - pdb_file = ctx.reference_pdb_file - sim = Simulation(pdb_file) - sim.reporters.append( - OfflineReporter( - ctx.h5_prefix, - report_steps, - frames_per_h5=frames_per_h5, - wrap_pdb_file=ctx.pdb_file if cfg.wrap else None, - reference_pdb_file=ctx.reference_pdb_file, - openmm_selection=cfg.lammps_selection, - mda_selection=cfg.mda_selection, - threshold=cfg.threshold, - contact_map=cfg.contact_map, - point_cloud=cfg.point_cloud, - fraction_of_contacts=cfg.fraction_of_contacts, - ) - ) - #pdb = MDAnalysis.Universe("nwchemdat_input.pdb","nwchemdat_input.pdb") - #num_frames = 0 - #num_retries = 0 - #while num_frames < frames_per_h5 and num_retries < max_retries: - # num_frames = 0 - # trj = MDAnalysis.Universe("nwchemdat_md.pdb","nwchemdat_md.xyz") - # selection = f"bynum 1:{pdb.trajectory.n_atoms}" - # solute = trj.select_atoms(selection) - # with MDAnalysis.Writer(ctx.traj_file,pdb.trajectory.n_atoms) as wrt: - # for ts in trj.trajectory: - # wrt.write(solute) - # num_frames += 1 - # trj.trajectory.close() - # num_retries += 1 - #if num_frames < frames_per_h5 and not num_retries < max_retries: - # raise IOError("Trajectory file nwchemdat_md.xyz corrupted") - num_frames = 0 - dcd = MDAnalysis.Universe("lammps_input.pdb",ctx.traj_file) - for ts in dcd.trajectory: - num_frames += 1 - sim.reporters[0].report(sim,ts) - failed, struct = ase_lammps.lammps_questionable(0.1,0.3,10) - data_dir = os.getcwd() - ase_lammps.lammps_to_pdb(ctx.traj_file,pdb_file,struct,data_dir) - ase_lammps.lammps_contactmap(cfg,ctx.traj_file,pdb_file,ctx.h5_prefix,report_steps,nsteps) - # At this moment nwchemdat_md.pdb contain all atoms, i.e. solute and solvent - # for the outlier detection we just want the solute atoms. Fix this - # by overwriting nwchemdat_md.pdb with the input PDB file. - #subprocess.run(["cp","nwchemdat_input.pdb","nwchemdat_md.pdb"]) - # Each trajectory file is easily 700 MB in size, as we do not need this - # data after converting the trajectory to the DCD format we should get - # rid of this file. - #subprocess.run(["rm","nwchemdat_md.xyz"]) - - # Move simulation data to persistent storage - with Timer("molecular_dynamics_move_results"): - if cfg.node_local_path is not None: - ctx.move_results() - - -if __name__ == "__main__": - with Timer("molecular_dynamics_stage"): - args = parse_args() - cfg = LAMMPSConfig.from_yaml(args.config) - run_simulation(cfg) diff --git a/src/sim/lammps/run_lammps_test.py b/src/sim/lammps/run_lammps_test.py deleted file mode 100644 index d0926f1..0000000 --- a/src/sim/lammps/run_lammps_test.py +++ /dev/null @@ -1,24 +0,0 @@ -"""Test the ase_lammps functionality.""" -import ase_lammps -import glob -import os -import subprocess -import sys -from deepdrivemd.sim.lammps.config import LAMMPSConfig -from pathlib import Path - -cwd = os.getcwd() -train = Path(cwd,"../../models/deepmd") -pdb = Path(cwd,"../../../data/h2co/system/h2co-unfolded.pdb") -data_dir = "pdbs" -test_dir = "test_dir" -python_exec = sys.executable -freq = 10 -os.mkdir(test_dir) -os.chdir(test_dir) - -config = LAMMPSConfig() -config.output_path = test_dir -config.pdb_file = pdb -config.dump_yaml("config.yaml") -subprocess.run([python_exec,"../run_lammps.py","--config","config.yaml"]) diff --git a/src/sim/nwchem/__init__.py b/src/sim/nwchem/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/sim/nwchem/__pycache__/ase_nwchem.cpython-39.pyc b/src/sim/nwchem/__pycache__/ase_nwchem.cpython-39.pyc deleted file mode 100644 index a38c552..0000000 Binary files a/src/sim/nwchem/__pycache__/ase_nwchem.cpython-39.pyc and /dev/null differ diff --git a/src/sim/nwchem/ase_nwchem.py b/src/sim/nwchem/ase_nwchem.py deleted file mode 100644 index 4a6ace4..0000000 --- a/src/sim/nwchem/ase_nwchem.py +++ /dev/null @@ -1,830 +0,0 @@ -''' -Define the set up to run a single point NWChem Gradient simulation - -In general this should be simple: - - Take a geometry - - Take a basis set specification and a density functional - - Write the input file - - Run the DFT calculation - - Analyze the results -''' -# We are using the Atomic Simulation Environment (ASE) -# because ASE has been used to generate the files DeePMD-kit -# needs to train by the DeePMD-kit developers. -import ase -import glob -import numpy -import os -import random -import shutil -import string -import subprocess -from os import PathLike -from pathlib import Path, PurePath -from typing import List, Tuple -from ase.atoms import Atoms -from ase.calculators.nwchem import NWChem -from ase.calculators.calculator import PropertyNotImplementedError -from ase.io.nwchem import write_nwchem_in, read_nwchem_out -from ase.io.proteindatabank import read_proteindatabank, write_proteindatabank - -# From https://www.weizmann.ac.il/oc/martin/tools/hartree.html [accessed March 28, 2024] -hartree_to_ev = 27.211399 - -N2P2=1 -DEEPMD=2 -env_model = os.getenv("FF_MODEL") -if env_model == "DEEPMD": - model = DEEPMD -elif env_model == "N2P2": - model = N2P2 -else: - model = DEEPMD - -def perturb_mol(number: int, pdb: PathLike) -> List[PathLike]: - """Write input files for a number of molecular structures. - - To initialize a collection of structures for DeePMD to train on we need - to generate such a collection. A simple way to do this is to take the - initial structure we have been given and subject it to a random walk. - Each resulting structure is stored until we have the prescribed number - of structures. - In practice this is a bad idea as a random walk can blunder into completely - unrealistic parts of conformational space. So instead we now take the - initial structure every time and perturb it. We also make sure that the - initial structure itself is included in the training set. - - The names of the new structures will be derived from the input PDB filename - and include a number to ensure uniqueness. A list of structure names will - be returned. As a side effect input files for every structure will be produced. - - From the list returned input file names can be constructed by adding ".nwi" - and output file name by adding ".nwo" - - Arguments: - number -- the number of perturbed structure to generate - pdb -- the PDB file with the initial molecular structure - """ - # Create a random number generator instance. - # We need to pass this to rattle, otherwise rattle - # internally creates and seeds its own random - # number generator. Because this freezes the - # random number sequence every rattle call always does - # the exact same thing (not very random at all). - global model, DEEPMD, N2P2 - random = numpy.random.default_rng() - with open(pdb,"r") as fp: - atoms = read_proteindatabank(pdb,index=0) - symbols = atoms.get_chemical_symbols() - atomicno = atoms.get_atomic_numbers() - atom_list = _make_atom_list(symbols,atomicno) - atom_list.sort(key=lambda tup: tup[2]) - mol_name = _make_molecule_name(atom_list) - name_list = [] - for ii in range(number): - with open(pdb,"r") as fp: - atoms = read_proteindatabank(pdb,index=0) - # Perturb the atom positions - # - # For N2P2 we need a bunch of structures closely around - # the reference structure. The references structure will be - # used as the starting point for any MD. If this structure - # is poorly represented then the code will throw "extrapolation" - # warnings and either aborts or generate abhorrently bad - # trajectories. - # - # Note that N2P2 cannot deal with unbound atoms. As the bonding - # cutoff is typically 6 and bondlength are typically < 2 then - # as long as we don't perturb atom positions by more than 2 - # bound atoms will still be bound after applying the perturbation. - if ii == 0: - pass - elif ii < 25: - atoms = rattle(atoms=atoms,limit=0.1,rng=random) - elif ii < 75: - atoms = rattle(atoms=atoms,limit=0.25,rng=random) - elif ii < 175: - atoms = rattle(atoms=atoms,limit=0.5,rng=random) - elif ii < 375: - atoms = rattle(atoms=atoms,limit=1.0,rng=random) - else: - #atoms.rattle(stdev=0.005,rng=random) - atoms = rattle(atoms=atoms,limit=2.0,rng=random) - tmpfile = Path("./tmp.pdb") - with open(tmpfile,"w") as fp: - write_proteindatabank(fp,atoms) - # Add the name to the return list - fname = Path(f"{mol_name}_{ii:06d}") - name_list.append(fname) - # Add the extension for the input file and write the input - inpname = fname.with_suffix(".nwi") - nwchem_input(inpname,tmpfile) - return name_list - -def rattle(atoms: Atoms, limit: float = 1.0, seed: int = None, rng = None) -> Atoms: - """My rattle implementation - - ASE's rattle draws perturbations from a normal distribution. N2P2 will - terminate the training if a structure contains an atom without neighbors. - So for N2P2 we need perturbations that have strict limits on the - displacement, which is incompatible with normal distributions. - Therefore, we need our own implementation of rattle that draws - perturbations from a uniform distribution. - - DeePMD did not have any problems with isolated atoms, but it was very - problematic to install on HPC facilities. So we had to make a choice - and we chose to switch to N2P2, because it is easier for me to rewrite - code than to fix arcane installation conflicts. - - - atoms is the ASE Atoms structure - - limit is the limit on the range of perturbations, i.e. the range is [-limit,limit] - """ - if seed is not None and rng is not None: - raise ValueError('Please do not provide both seed and rng.') - - if rng is None: - if seed is None: - seed = 42 - rng = np.random.RandomState(seed) - positions = atoms.arrays['positions'] - atoms.set_positions(positions + - rng.uniform(low=-limit,high=limit, size=positions.shape)) - return atoms - -def clean_pdb(pdb: PathLike,tmp: PathLike) -> None: - """Supress ASE junk. - - ASE inherently assumes that any PDB file it writes is a crystal structure. - The CRYST1 line it adds reinforces that and when ASE writes an NWChem - input file it will write the geometry as if you are using the planewave - code. This breaks everything when you try to do Gaussian basis set - calculations. So we need to remove the CRYST1 lines. - - Another nasty thing is that ASE adds ENDMDL lines. This means that the PDB - files it writes ends as: - - ENDMDL - END - - This causes another problem. The ENDMDL line completes the molecular structure - and starts a new one. As the next line is END this last molecular structure - is an empty one. The protein reader read_proteindatabank by default returns - the last structure from the PDB file. I.e. if ASE wrote the PDB file you get - an empty structure! Fortunately, you can just ask the structure corresponding - to index=0 and get what you need. So for now I am not going to worry about - this, but this is definitely something to keep in mind. - """ - with open(pdb,"r") as fp_in: - with open(tmp,"w") as fp_out: - line = fp_in.readline() - while line: - if not line[0:6] == "CRYST1": - fp_out.write(line) - line = fp_in.readline() - -def gen_new_inputs(pdb_path: PathLike) -> List[PathLike]: - """Write input files for a number of molecular structures. - - From, for example, a prior molecular dynamics run we get an additional - set of PDB files. This function converts those PDB into new input - files and returns the list of those input files. We need to check - that the new input filenames are unique so we don't overwrite - anything. - - From the list returned input file names can be constructed by adding ".nwi" - and output file name by adding ".nwo" - - Arguments: - pdb_path -- the path where the new PDB files reside - """ - pdbs = glob.glob(str(Path(pdb_path,"*.pdb"))) - name_list = [] - ii = 0 - for pdb in pdbs: - tmp_pdb = "tmp.pdb" - clean_pdb(pdb,tmp_pdb) - with open(tmp_pdb,"r") as fp: - atoms = read_proteindatabank(fp,index=0) - symbols = atoms.get_chemical_symbols() - atomicno = atoms.get_atomic_numbers() - atom_list = _make_atom_list(symbols,atomicno) - atom_list.sort(key=lambda tup: tup[2]) - mol_name = _make_molecule_name(atom_list) - fname = Path(f"{mol_name}_{ii:06d}") - while fname.with_suffix(".nwi").exists(): - ii += 1 - fname = Path(f"{mol_name}_{ii:06d}") - name_list.append(fname) - # Add the extension for the input file and write the input - inpname = fname.with_suffix(".nwi") - nwchem_input(inpname,tmp_pdb) - return name_list - -def fetch_input(data: PathLike) -> List[PathLike]: - """Copy pre-existing NWChem input files.""" - path = Path(data,"*.nwi") - src_inputs = glob.glob(str(path)) - name_list = [] - for inp in src_inputs: - name = Path(inp).name - stem = Path(inp).stem - subprocess.run(["cp",str(inp),str(name)]) - name_list.append(Path(stem)) - return name_list - -def nwchem_input(inpf: PathLike, pdb: PathLike) -> None: - """Generate an NWChem input file. - - Take the input structure (a PDB file) and create an ASE NWChem - calculator for a DFT gradient calculation. The calculator is - is returned. Because of the way ASE is designed we actually return - the molecule object with the calculator attached. - - We use the SCAN functional because of https://doi.org/10.1021/acs.jctc.2c00953. - We use unrestricted DFT because at transition states you may not - have a closed shell electron density. - We use a TZVP basis set because that is the smallest basis set for which - reasonable results can be expected. - - Arguments: - inpf -- the name of the input file to be generated - pdb -- the PDB file containing the chemical structure - """ - with open(pdb,"r") as fp: - molecule = read_proteindatabank(fp,index=0) - name = Path(inpf).name - name = str(name).replace(".nwi","_dat") - fp = open(inpf,"w") - opts = dict(label=name, - basis="cc-pvdz", - symmetry="c1", - dft=dict(xc="scan", - mult=1, - cgmin=None, - direct=None, - maxiter=150, # for testing - mulliken=None, - noprint="\"final vectors analysis\""), - theory="dft") - - write_nwchem_in(fp,molecule,["forces"],True,**opts) - fp.close() - -def run_nwchem(nwchem_top: PathLike, inpf: PathLike, outf: PathLike) -> None: - """Run the NWChem calculation - - The executable name is constructed from the NWCHEM_TOP - environment variable as NWCHEM_TOP/bin/LINUX64/nwchem. - In principle LINUX64 could be different for different - operating systems, but at present LINUX64 is correct for - almost any computer system (this used to be very - different). - - The environment variable NWCHEM_TASK_MANAGER specifies - the task manager to start the parallel calculation. - Common choices would be "srun", "mpirun", or "mpiexec" - - The environment variable NWCHEM_NPROC specifies the - number of MPI processes to run NWChem on. - - Arguments: - nwchem_top -- specification of NWCHEM_TOP as an argument - inpf -- the name of the NWChem input file - outf -- the name of the NWChem output file - """ - if not nwchem_top: - nwchem_top = os.environ.get("NWCHEM_TOP") - if nwchem_top: - nwchem_exe = nwchem_top+"/bin/LINUX64/nwchem" - else: - raise RuntimeError("run_nwchem: NWCHEM_TOP undefined") - if not Path(nwchem_exe).is_file(): - raise RuntimeError("run_nwchem: NWCHEM_EXE("+nwchem_exe+") is not a file") - nwchem_task_man = os.environ.get("NWCHEM_TASK_MANAGER") - if not nwchem_task_man: - nwchem_task_man = "mpirun" - nwchem_nproc = os.environ.get("NWCHEM_NPROC") - if not nwchem_nproc: - nwchem_nproc = os.environ.get("SLURM_NTASKS") - if not nwchem_nproc: - nwchem_nproc = os.environ.get("PBS_NP") - if not nwchem_nproc: - #nwchem_nproc = "16" - nwchem_nproc = "1" - name = Path(inpf).name - name = str(name).replace(".nwi","_dat") - # ASE is going to insist on this directory for the - # permanent_dir and scratch_dir so we have to make - # sure it exists - newpath = "./"+name - if not os.path.exists(newpath): - os.mkdir(newpath) - elif not os.path.isdir(newpath): - raise OSError(f"{newpath} exists but is not a directory") - fpout = open(outf,"w") - #FIXME We need to pick the right task manager so we can start calculation on the right resource - #DEBUG now we just run plain NWChem without mpirun/srun/etc. - #subprocess.run(["/hpcgpfs01/ic2software/openmpi/4.1.5-gcc-12.3.0/bin/ompi_info"],stdout=fpout,stderr=subprocess.STDOUT) - #subprocess.run([nwchem_task_man,"-n",nwchem_nproc,"--cpus-per-task=1","--ntasks-per-core=1",nwchem_exe,inpf],stdout=fpout,stderr=subprocess.STDOUT) - subprocess.run([nwchem_exe,inpf],stdout=fpout,stderr=subprocess.STDOUT) - fpout.close() - # Now cleanup the data files - subprocess.run(["rm","-rf",newpath]) - -def _make_atom_list(symbols: List[str],atomicnos: List[int]) -> List[Tuple[int,str,int]]: - """Turn the list of chemical symbols and atomic numbers into a list of tuples. - - In order to present the data correctly to DeePMD we need to - sort the atoms. To facilitate this we create a list of tuples - where each tuple consists of: - - (index, symbol, atomic number) - - where index is the atom position in the original list, - symbol is the chemical symbol of the atom, and atomic number - is the corresponding atomic number of the element. - - Arguments: - symbols -- the list of chemical symbols of the atoms in the molecular structure - atomicno -- the list of atomic numbers of the atoms in the molecular structure - """ - result = [] - len_symbols = len(symbols) - len_atomicno = len(atomicnos) - if not len_symbols == len_atomicno: - raise RuntimeError("List of chemical symbols and atomic numbers are "+ - "of different length "+str(len_symbols)+" "+str(len_atomicno)) - for ii in range(len_symbols): - result.append((ii,symbols[ii],atomicnos[ii])) - return result - -def _make_molecule_name(tuples: List[Tuple[int,str,int]]) -> str: - """Return a kind of bruto formula for the molecule as a name. - - The way DeePMD stores its training data we need separate directories - for every different "bruto formula" in the training set. - - To generate this name we need to count how often every element appears - in the atom list. Then we need to string the chemical symbols with their - counts together in a string to generate the name. - - Note that for formaldehyde this function will produce h2c1o1. While this - will likely annoy chemists we have to it this way otherwise you cannot - distinguish between different molecules like C Au and Ca U, now these - would produce c1au1 and ca1u1 which clearly are different (essentially - we use the count BOTH to report the count AND as a separator between - elements). - - Arguments: - tuples -- list of tuples (index, symbol, atomic number) - """ - # There are 118 chemical elements but the atomic numbers are base 1 instead of base 0 - symbols = [""] * 119 - counts = [0] * 119 - for atm_tuple in tuples: - index, symbol, atomicno = atm_tuple - symbols[atomicno] = symbol.lower() - counts[atomicno] += 1 - result = "" - for ii in range(119): - if counts[ii] > 0: - result += symbols[ii] + str(counts[ii]) - return result - -def _write_type_map(fp: PathLike, tuples: List[Tuple[int,str,int]]) -> None: - """Write the type map to file. - - Arguments: - fp -- the filename of the type map file - tuples -- list of tuples (index, symbol, atomic number) sorted by atomic number - """ - with open(fp,"w") as mfile: - old_atomicno = -1 - for atm_tuple in tuples: - index, symbol, atomicno = atm_tuple - if atomicno != old_atomicno: - old_atomicno = atomicno - mfile.write(ase.data.chemical_symbols[atomicno].lower()+" ") - -def _write_type(fp: PathLike, tuples: List[Tuple[int,str,int]]) -> None: - """Write DeePMD's type file - - The type file contains a single line with the atomic number minus 1 - for each atom in the molecule - - Arguments: - fp -- the filename of the types file - tuples -- list of tuples (index, symbol, atomic number) sorted by atomic number - """ - with open(fp,"w") as mfile: - old_atomicno = -1 - atomtype = -1 - for atm_tuple in tuples: - index, symbol, atomicno = atm_tuple - if atomicno != old_atomicno: - old_atomicno = atomicno - atomtype += 1 - mfile.write(str(atomtype)+" ") - -def _write_energy(fp: PathLike, energy: float) -> None: - """Append the energy in eV to the energy file. - - Arguments: - fp -- the file name for the energy.raw file - energy -- the energy provide by ASE in eV - """ - with open(fp,"a") as mfile: - mfile.write(str(energy)+"\n") - -def _write_atmxyz(fp: PathLike, xyz: List[List[float]], atmtuples: List[Tuple[int,str,int]], convert: float) -> None: - """Add a line with atomic x,y,z quantities to quantity file. - - Because coordinates and forces are all 3D quantities we can use the - same rountine to write either. - - This function is a little bit more involved because: - - the coordinates have to be sorted according to the data in type.raw - - xyz is a list of lists where for every atom you have a list of x,y,z - Assumptions: - - atmtuples is sorted on the atomic numbers - - coordinates are provide in Angstrom - - forces are provided in eV/Angstrom - - convert is the appropriate conversion factor for DeePMD - - Arguments: - fp -- the file name - xyz -- list of coordinates in the original atom ordering - atmtuples -- list of tuples (index, symbol, atomic number) sorted by atomic number - convert -- the conversion factor for NWChem to DeePMD - """ - with open(fp,"a") as mfile: - for tup in atmtuples: - index, symbol, atomicno = tup - xx, yy, zz = xyz[index] - xx *= convert - yy *= convert - zz *= convert - mfile.write(f'{xx} {yy} {zz} ') - mfile.write("\n") - -def _write_box(fp,box=None) -> None: - """Append the simulation box to box.raw. - - If box is None then we don't have periodic boundary conditions and - we write a default 1x1x1 box. - - If box is not None then we write the three lattice vectors to box.raw. - - Arguments: - fp -- the file name - box -- the lattice vectors - """ - with open(fp,"a") as mfile: - if box: - for tup in box: - xx, yy, zz = tup - mfile.write(f'{xx} {yy} {zz} ') - mfile.write("\n") - else: - mfile.write("1.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 1.0\n") - -class split_tvt: - """A class to help with splitting data sets into training, validation, or testing sets.""" - splits = [0.8,0.9,1.0] # corresponds to 80% training, 10% validation, and 10% testing - def __init__(self,splits: List[float]=None): - """Constructor to allow setting the splits. - - The splits if given specify the proportions of the three categories. - The default setting corresponds to 80% training, 10% validation, 10% testing. - The given splits will be normalized and converted to make the selection - easy. See function training_or_validate_or_test for details on selection. - - Arguments: - splits -- a list of 3 non-negative numbers - """ - if splits: - if not len(splits) == 3: - raise RuntimeError("The list of splits must contain 3 elements not "+str(len(splits))) - total = 0.0 - for rr in splits: - total += rr - if rr < 0.0: - raise RuntimeError("The splits must be non-negative") - if total <= 0.0: - raise RuntimeError("The sum of splits must be positive") - self.splits[0] = splits[0]/total - self.splits[1] = (splits[0]+splits[1])/total - self.splits[2] = 1.0 - - def training_or_validate_or_test(self) -> str: - """Select whether the current instance is part of the training, validation or test set. - - Based on a random number in the range [0,1] a selection is made for - the current instance. Based on the selection a string is returned that can be one of - - - "training" : an element of the training set - - "validate" : an element of the validation set - - "testing" : an element of the test set - - Note that it is assumed that entropy from the system is used to initialize the - pseudo random number generator. Hence no explicit seed is used. This is significant - because the Python code is expected to be launched many times in the workflow. Using - a fixed seed would generate the same sequence every time. - """ - rnd = random.uniform(0.0,1.0) - if rnd <= self.splits[0]: - return "training" - elif rnd <= self.splits[1]: - return "validate" - elif rnd <= self.splits[2]: - return "testing" - else: - raise RuntimeError(f"Should not get here! {rnd} not <= {self.splits[2]}?") - -def _global_chemical_symbols(mols: List[PathLike]) -> List[str]: - """Return the set of chemical symbols from all the type_map.raw files. - - The list returned is sorted in alphabetical order. - - Arguments: - mols -- the list of all directories containing training data - """ - global_sym = [] - for mol in mols: - path = Path(mol,"type_map.raw") - with open(path,"r") as fp: - line = fp.readline() - elements = line.split() - global_sym += elements - # Use set to remove duplicates - tmp = set(global_sym) - # Turn unique elements back into a sorted list - global_sym = sorted([x for x in tmp]) - return global_sym - -def _remap_types(mols: List[PathLike], global_sym: List[str]) -> None: - """Replace type_map.raw and type.raw with ones based on the global chemical symbols list.""" - for mol in mols: - path_type_map = Path(mol,"type_map.raw") - path_type = Path(mol,"type.raw") - with open(path_type_map,"r") as fp: - line = fp.readline() - chem_symb = line.split() - with open(path_type,"r") as fp: - line = fp.readline() - chem_type = [int(x) for x in line.split()] - chem_type = [global_sym.index(chem_symb[x]) for x in chem_type] - with open(path_type_map,"w") as fp: - for x in global_sym: - fp.write(f"{x} ") - with open(path_type,"w") as fp: - for x in chem_type: - y = str(x) - fp.write(f"{y} ") - -def _harmonize_atom_types() -> None: - """Harmonize the type_map.raw and type.raw files across the entire training set.""" - # Gather all training data directories - mols = glob.glob("**/*_mol_*",recursive=True) - # Gather all chemical elements from the type_map.raw files - global_symbols = _global_chemical_symbols(mols) - # Replace the type_map.raw and type.raw files - _remap_types(mols,global_symbols) - -def nwchem_to_raw(nwofs: List[PathLike]) -> None: - """Extract data from NWChem outputs and store them in a raw form suitable for DeePMD - - DeePMD uses a batched learning approach. I.e. the training data is split into - batches, and the training loops over batches to update the moded weights and - biases. For all data points in a batch the chemistry needs to be the same, - meaning that every data point must have: - - - the same number of atoms - - the same numbers of atoms of each chemical element - - the same ordering of the atoms. - - For a given batch there are a number of files: - - - type_map.raw - translates atom types to chemical elements (a single line) - - type.raw - lists the atom types in a molecular structure in 0 based - type numbers (a single line) - - coord.raw - lists the atom positions of all atoms per line - - force.raw - lists the atomic forces of all atoms per line - - energy.raw - lists the total energy per line - - For finite systems (i.e. no periodic boundary conditions) there needs - to be a file with the name "nopbc" in the data directory. - - The coord.raw, force.raw, and energy.raw files should be converted into - NumPy files. The type.raw and type_map.raw files are used as plain text. - The coordinate, force, and energy files may be split into batches. - Overall this gives us a data organization like: - - - mol_a/ - - type.raw - - type_map.raw - - set.000/ - - coord.npy - - energy.npy - - force.npy - - set.001/ - - coord.npy - - energy.npy - - force.npy - - mol_b/ - - type.raw - - type_map.raw - - set.000/ - - coord.npy - - energy.npy - - force.npy - - Obviously there is a lot of uncertainty about how this data is used. I.e. - can I just use arbitary type data, for example set the atom type to be - the atom number minus 1, or is this data being used in some fancy way? - For example Uranyl UO2, can I just set the atom types to be 91 7 7, - or should I compress this list to 0 1 1. In the former case I could simply - keep the type map constant and just list all elements from the periodic - table, with the benefit that all atom types are defined the same way - for all conceivable molecules. Or is someone going to use the atom type - as an array index and specifying atom types 91 7 7 is going to create - some huge table? Who knows? - - Given all the uncertainties the following approach is selected (for now). - The type_map.raw file simply contains all elements of the periodic table, - as a results the types in type.raw simply consist of the atomic numbers - minus 1. At worst this will generate data structures that are 100 times - larger than they need to be. Because the neural networks in DeePMD are just - a few kB a piece this will waste at most a few MB of memory, which seems - acceptable. - - Molecules are canonicalized by sorting the structures on the atomic - numbers of the elements. The molecule names are constructed by - concatenating the chemical symbol and the correspond atom count - in the structure for all the constituent elements. - - This function generates the ".raw" files, see the - raw_to_deepmd function for the conversion to the final NumPy files. - - Comment on the suggestions given above: First of all, ASE tends to sort - chemical elements alphabetically. So listing all the elements in the - order of increasing atomic number causes mismatches between the trained - models and the atom types in the molecular dynamics simulations. Hence - we are forced to use alphabetic ordering everywhere. Second, the initial - memory impact assessment turned out to be way off the mark. Providing - one type_map.raw instance listing the entire periodic table of the elements - caused TensorFlow to run out of memory. Hence the type_map.raw files should - include a more limited set of elements. Third, whereas the chemical element - information is provided to DeePMD during the training stage, LAMMPS that is - used for the molecular dynamics simulations only has atom type numbers. So - we have to expect that the truly used atom information is in the type.raw - files. This means that we have to harmonize the type_map.raw and type.raw - files across the entire training data set used to train a particular model. - - Arguments: - nwofs -- a list of NWChem output files - """ - splitter = split_tvt([90.0,10.0,0.0]) - for nwof in nwofs: - try: - with open(nwof,"r") as fp: - data = read_nwchem_out(fp,slice(-1,None,None)) - atoms = data[0] - calc = atoms.get_calculator() - # NWChem DFT energy in eV - energy = calc.get_potential_energy() - # Chemical symbols of the atoms - symbols = atoms.get_chemical_symbols() - # Atomic numbers of the atoms - atomicno = atoms.get_atomic_numbers() - # NWChem atomic positions in Angstrom - positions = atoms.get_positions() - # NWChem atomic forces in eV/Angstrom - forces = calc.get_forces() - except (PropertyNotImplementedError, ValueError): - # If the geometry has atoms too close together NWChem - # will detect this and refuse to run a calculation on - # an unphysical (which will most fail badly if it was - # run due to numerical issues stemming from massive - # linear dependencies in the basis set). - # - # If the DFT calculation did not converge then ASE - # will raise a PropertyNotImplementedError exception. - # - # In these cases we should move the output file (if the - # calculation did not converge in 500 iterations then it - # is clearly not sensible anyway), and skip to the next - # output file. - new_path = Path(nwof).with_suffix(".failed") - os.replace(nwof,new_path) - continue - except (OSError): - continue - atom_list = _make_atom_list(symbols,atomicno) - atom_list.sort(key=lambda tup: tup[1]) - if len(atom_list) <= 1: - # Single atom chemical systems should always be added to the training set. - # These systems do not make sense in the validation set: - # - They have only a single geometry - # - The information they provide is unique - # - The information they provide is uniquely important as it pins the - # energy of a particular atom down. Given that DeePMD writes the - # total energy as a sum of atomic energies knowing what the individual - # energies are seems key. - data_set = "training" - else: - data_set = splitter.training_or_validate_or_test() - mol_name = Path(data_set + "_mol_" + _make_molecule_name(atom_list)) - if not mol_name.exists(): - os.mkdir(mol_name) - fp = mol_name/"type_map.raw" - _write_type_map(fp,atom_list) - fp = mol_name/"type.raw" - _write_type(fp,atom_list) - fp = open(mol_name/"nopbc","w") - fp.close() - elif not mol_name.is_dir(): - raise OSError(mol_name+" exists but is not a directory") - _write_energy(mol_name/"energy.raw",energy) - _write_atmxyz(mol_name/"coord.raw", positions, atom_list, 1.0) - _write_atmxyz(mol_name/"force.raw", forces, atom_list, 1.0) - _write_box(mol_name/"box.raw") - _harmonize_atom_types() - -def nwchem_is_successful(nwof: PathLike) -> None: - """Check whether an NWChem calculation ran successfully - - If not successful rename the output to *.failed. - - Arguments: - nwof -- an NWChem output files - """ - try: - with open(nwof,"r") as fp: - data = read_nwchem_out(fp,slice(-1,None,None)) - atoms = data[0] - calc = atoms.get_calculator() - # NWChem DFT energy in eV - energy = calc.get_potential_energy() - # Chemical symbols of the atoms - symbols = atoms.get_chemical_symbols() - # Atomic numbers of the atoms - atomicno = atoms.get_atomic_numbers() - # NWChem atomic positions in Angstrom - positions = atoms.get_positions() - # NWChem atomic forces in eV/Angstrom - forces = calc.get_forces() - except (PropertyNotImplementedError, ValueError): - # If the geometry has atoms too close together NWChem - # will detect this and refuse to run a calculation on - # an unphysical (which will most fail badly if it was - # run due to numerical issues stemming from massive - # linear dependencies in the basis set). - # - # If the DFT calculation did not converge then ASE - # will raise a PropertyNotImplementedError exception. - # - # In these cases we should move the output file (if the - # calculation did not converge in 500 iterations then it - # is clearly not sensible anyway), and skip to the next - # output file. - new_path = Path(nwof).with_suffix(".failed") - os.replace(nwof,new_path) - -def raw_to_deepmd(deepmd_source_dir: PathLike) -> None: - """Convert collections of ".raw" files into the training batches DeePMD expects - - DeePMD provides a script to convert the ".raw" data files into NumPy files - that it uses. We'll just use that script. This script needs to be run in - a directory corresponding to one particular molecular structure. - In principle it should be possible to train on multiple molecular structures. - So we'll just loop over all molecular directories and run the script in - each. - - The DeePMD conversion script is called "raw_to_set.sh". It is supposed to - to live at "$deepmd_source_dir/data/raw/raw_to_set.sh". The location - of deepmd_source_dir can be passed in as an argument, alternatively - we'll check the environment variables, and the system path. - - Arguments: - deepmd_source_dir -- the path to the DeePMD source code directory - """ - if not deepmd_source_dir: - deepmd_source_dir = Path(os.environ.get("deepmd_source_dir")) - if deepmd_source_dir: - raw_to_set = Path(deepmd_source_dir,"data/raw/raw_to_set.sh") - else: - raw_to_set = Path(shutil.which('raw_to_set.sh')) - if not raw_to_set: - raise RuntimeError("raw_to_set.sh not found! Set deepmd_source_dir environment variable or put raw_to_set.sh in your PATH!") - if not raw_to_set.is_file(): - raise RuntimeError(raw_to_set+" is not a file! Set deepmd_source_dir environment variable or put raw_to_set.sh in your PATH!") - if not os.access(raw_to_set, os.X_OK): - raise RuntimeError(raw_to_set+" is not executable!") - mols = glob.glob("**/*_mol_*",recursive=True) - cwd = Path(os.getcwd()) - for moldir in mols: - moldir = Path(moldir) - os.chdir(moldir) - subprocess.run([raw_to_set]) - os.chdir(cwd) diff --git a/src/sim/nwchem/ase_nwchem_test.py b/src/sim/nwchem/ase_nwchem_test.py deleted file mode 100644 index 49b3639..0000000 --- a/src/sim/nwchem/ase_nwchem_test.py +++ /dev/null @@ -1,62 +0,0 @@ -''' -A test driver for the code in ase_nwchem.py - -These tests make sure that -1. We can generate a valid NWChem input file with ASE -2. We can run an NWChem calculation for the energy and gradient -3. We can use ASE to extract the results of NWChem -4. We can store the results in a format suitable for DeePMD -''' - -import os -import ase_nwchem -import glob -import n2p2 -from pathlib import Path - -N2P2=1 -DEEPMD=2 -env_model = os.getenv("FF_MODEL") -if env_model == "DEEPMD": - model = DEEPMD -elif env_model == "N2P2": - model = N2P2 -else: - model = DEEPMD - -# the NWCHEM_TOP environment variable needs to be set to specify -# where the NWChem executable lives. -nwchem_top = None -deepmd_source_dir = None -test_data = Path("../../../../data/h2co/system") -test_pdb = Path(test_data,"h2co-unfolded.pdb") -test_inp = "h2co.nwi" -test_out = "h2co.nwo" -test_path = Path("./test_dir") -curr_path = Path("./") -os.mkdir(test_path) -os.chdir(test_path) -print("Generate NWChem input files") -inputs_cp = ase_nwchem.fetch_input(test_data) -inputs_gn = ase_nwchem.perturb_mol(400,test_pdb) -if model == DEEPMD: - inputs = inputs_gn + inputs_cp -elif model == N2P2: - inputs = inputs_gn -else: - inputs = inputs_gn + inputs_cp -print(inputs) -print("Run NWChem") -for instance in inputs: - test_inp = instance.with_suffix(".nwi") - test_out = instance.with_suffix(".nwo") - ase_nwchem.run_nwchem(nwchem_top,test_inp,test_out) -print("Extract NWChem results") -test_dat = glob.glob("*.nwo") -ase_nwchem.nwchem_to_raw(test_dat) -if model == DEEPMD: - print("Convert raw files to NumPy files") - ase_nwchem.raw_to_deepmd(deepmd_source_dir) -print("Convert raw files to N2P2 files") -n2p2.generate_n2p2_test_files_for_all_folders() -print("All done") diff --git a/src/sim/nwchem/ase_nwchem_test_1.py b/src/sim/nwchem/ase_nwchem_test_1.py deleted file mode 100644 index 56f437a..0000000 --- a/src/sim/nwchem/ase_nwchem_test_1.py +++ /dev/null @@ -1,38 +0,0 @@ -''' -A test driver for the code in ase_nwchem.py - -These tests make sure that -1. We can generate a valid NWChem input file with ASE -2. We can run an NWChem calculation for the energy and gradient -3. We can use ASE to extract the results of NWChem -4. We can store the results in a format suitable for DeePMD -''' - -import os -import ase_nwchem -import glob -from pathlib import Path - -# the NWCHEM_TOP environment variable needs to be set to specify -# where the NWChem executable lives. -nwchem_top = None -deepmd_source_dir = None -test_pdbs = Path("../../lammps/test_dir/pdbs") -test_path = Path("./test_dir") -curr_path = Path("./") -os.chdir(test_path) -print("Generate NWChem input files") -inputs = ase_nwchem.gen_new_inputs(test_pdbs) -print(inputs) -print("Run NWChem") -new_list = [] -for instance in inputs: - test_inp = instance.with_suffix(".nwi") - test_out = instance.with_suffix(".nwo") - ase_nwchem.run_nwchem(nwchem_top,test_inp,test_out) - new_list.append(test_out) -print("Extract NWChem results") -ase_nwchem.nwchem_to_raw(new_list) -print("Convert raw files to NumPy files") -ase_nwchem.raw_to_deepmd(deepmd_source_dir) -print("All done") diff --git a/src/sim/nwchem/config.py b/src/sim/nwchem/config.py deleted file mode 100644 index 35f4bbb..0000000 --- a/src/sim/nwchem/config.py +++ /dev/null @@ -1,61 +0,0 @@ -from enum import Enum -from pathlib import Path -from typing import Any, Dict, List, Optional - -from pydantic import root_validator - -from deepdrivemd.config import MolecularDynamicsTaskConfig - - -class NWChemConfig(MolecularDynamicsTaskConfig): - class MDSolvent(str, Enum): - implicit = "implicit" - explicit = "explicit" - - solvent_type: MDSolvent = MDSolvent.explicit - top_suffix: Optional[str] = ".top" # Topology suffix - rst_suffix: Optional[str] = ".rst" # Restart suffix - simulation_length_ns: float = 0.002 - report_interval_ps: float = 0.002 - dt_ps: float = 0.002 - temperature_kelvin: float = 310.0 - #heat_bath_friction_coef: float = 1.0 # not available for Berendsen thermostat - # Whether to wrap system, only implemented for nsp system - # TODO: generalize this implementation. - wrap: bool = False - # Reference PDB file used to compute RMSD and align point cloud - reference_pdb_file: Optional[Path] - # NWChem top directory (i.e. the top NWChem installation directory) - nwchem_top_dir: Optional[Path] = None - # Atom selection for nwchem - nwchem_selection: List[str] = ["CA", "PA", "PB", "C4", "C5", "C1'", "C3'", "C5'", "C1D", "C3D", "C5D"] - # Atom selection for MDAnalysis - mda_selection: str = "(name CA) or (name PA) or (name PB) or (name C4) or (name C5) or (name C1') or (name C3') or (name C5') or (name C1D) or (name C3D) or (name C5D)" - # Distance threshold to use for computing contact (in Angstroms) - threshold: float = 8.0 - # Write contact maps to HDF5 - contact_map: bool = False - # Write point clouds to HDF5 - point_cloud: bool = True - # Write fraction of contacts to HDF5 - fraction_of_contacts: bool = False - # Read outlier trajectory into memory while writing PDB file - in_memory: bool = True - # Directory with the initial PDB file - initial_pdb_dir: Optional[Path] = None - - @root_validator() - def explicit_solvent_requires_top_suffix( - cls, values: Dict[str, Any] - ) -> Dict[str, Any]: - top_suffix = values.get("top_suffix") - solvent_type = values.get("solvent_type") - if solvent_type == "explicit" and top_suffix is None: - raise ValueError( - "Explicit solvents require a topology file with non-None suffix" - ) - return values - - -if __name__ == "__main__": - NWChemConfig().dump_yaml("nwchem_template.yaml") diff --git a/src/sim/nwchem/main1_nwchem.py b/src/sim/nwchem/main1_nwchem.py deleted file mode 100644 index 2c558a1..0000000 --- a/src/sim/nwchem/main1_nwchem.py +++ /dev/null @@ -1,84 +0,0 @@ -''' -A test driver for the code in ase_nwchem.py - -These tests make sure that -1. We can generate a valid NWChem input file with ASE -2. We can run an NWChem calculation for the energy and gradient -3. We can use ASE to extract the results of NWChem -4. We can store the results in a format suitable for DeePMD -''' - -import os -import ase_nwchem -import glob -import sys -from pathlib import Path - -N2P2=1 -DEEPMD=2 -env_model = os.getenv("FF_MODEL") -if env_model == "DEEPMD": - model = DEEPMD -elif env_model == "N2P2": - model = N2P2 -else: - model = DEEPMD - -# the NWCHEM_TOP environment variable needs to be set to specify -# where the NWChem executable lives. -nwchem_top = None -deepmd_source_dir = None -test_data = Path("../../../../../data/h2co/system") -test_pdb = Path(test_data,"h2co-unfolded.pdb") -test_inp = "h2co.nwi" -test_out = "h2co.nwo" -test_path = Path("./test_dir") -curr_path = Path("./") -test_path = Path(sys.argv[1]) -if not test_path.exists(): - os.makedirs(test_path,exist_ok=True) -os.chdir(test_path) -print("Generate NWChem input files") -inputs_path = Path(test_path,"inputs.txt") -if not inputs_path.exists(): - # We haven't run any DFT calculations yet so generate input files - # and store the list of inputs files - # - grab a bunch of predefined input files - # - perturb the initial molecular structure to generate more inputs - # Note that N2P2 gets hopelessly confused when the training set - # contains a mix of chemical structures. So for N2P2 we stick to - # just using perturbed structures of 1 chemical structure and - # nothing else. - # For DeePMD a mixture of different chemical compounds is fine. - # So in that case we can add single atoms, diatomics and other - # small structures that are quick to evaluate and provide - # additional information. - inputs_cp = ase_nwchem.fetch_input(test_data) - inputs_gn = ase_nwchem.perturb_mol(475,test_pdb) - if model == DEEPMD: - inputs = inputs_gn + inputs_cp - elif model == N2P2: - inputs = inputs_gn - else: - inputs = inputs_gn + inputs_cp -else: - # We need to take new input files from the PDB structure generated - # by the LAMMPS MD run - pdbs_path = Path(sys.argv[2]) - inputs = [] - filename = Path(pdbs_path,"pdb_files.txt") - tmp_path = Path("tmp.pdb") - with open(str(filename), "r") as fp: - lines = fp.readlines() - for line in lines: - pdb_path = Path(pdbs_path,line.strip()) - input_path = Path(test_path,Path(line.strip()).stem) - input_name = input_path.with_suffix(".nwi") - ase_nwchem.clean_pdb(pdb_path,tmp_path) - ase_nwchem.nwchem_input(input_name,tmp_path) - inputs.append(input_path) -with open("inputs.txt", "w") as f: - for filename in inputs: - print(str(filename), file=f) -print("Done NWChem input files") - diff --git a/src/sim/nwchem/main2_nwchem.py b/src/sim/nwchem/main2_nwchem.py deleted file mode 100644 index fbdfef9..0000000 --- a/src/sim/nwchem/main2_nwchem.py +++ /dev/null @@ -1,50 +0,0 @@ -''' -A test driver for the code in ase_nwchem.py - -These tests make sure that -1. We can generate a valid NWChem input file with ASE -2. We can run an NWChem calculation for the energy and gradient -3. We can use ASE to extract the results of NWChem -4. We can store the results in a format suitable for DeePMD -''' - -import os -import ase_nwchem -import glob -from pathlib import Path -import sys - -# the NWCHEM_TOP environment variable needs to be set to specify -# where the NWChem executable lives. -nwchem_top = None -deepmd_source_dir = None -test_data = Path("../../../../../data/h2co/system") -test_pdb = Path(test_data,"h2co-unfolded.pdb") -test_inp = "h2co.nwi" -test_out = "h2co.nwo" -test_path = Path("./test_dir") -curr_path = Path("./") -test_path = Path(sys.argv[1]) -#os.mkdir(test_path) -os.chdir(test_path) -instance = sys.argv[2] -print (instance) -instance = Path(instance) -# print("Generate NWChem input files") -# inputs_cp = ase_nwchem.fetch_input(test_data) -# inputs_gn = ase_nwchem.perturb_mol(30,test_pdb) -# inputs = inputs_cp + inputs_gn -# print(inputs) -print("Run NWChem") -#for instance in inputs: -test_inp = instance.with_suffix(".nwi") -test_out = instance.with_suffix(".nwo") -ase_nwchem.run_nwchem(nwchem_top,test_inp,test_out) -ase_nwchem.nwchem_is_successful(test_out) -print("Done NWChem") -# print("Extract NWChem results") -# test_dat = glob.glob("*.nwo") -# ase_nwchem.nwchem_to_raw(test_dat) -# print("Convert raw files to NumPy files") -# ase_nwchem.raw_to_deepmd(deepmd_source_dir) -# print("All done") diff --git a/src/sim/nwchem/main3_nwchem.py b/src/sim/nwchem/main3_nwchem.py deleted file mode 100644 index 88dbca4..0000000 --- a/src/sim/nwchem/main3_nwchem.py +++ /dev/null @@ -1,107 +0,0 @@ -''' -A test driver for the code in ase_nwchem.py - -These tests make sure that -1. We can generate a valid NWChem input file with ASE -2. We can run an NWChem calculation for the energy and gradient -3. We can use ASE to extract the results of NWChem -4. We can store the results in a format suitable for DeePMD -''' - -import ase_nwchem -import glob -import n2p2 -import os -from pathlib import Path -import random -import shutil -import sys - -N2P2=1 -DEEPMD=2 -env_model = os.getenv("FF_MODEL") -if env_model == "DEEPMD": - model = DEEPMD -elif env_model == "N2P2": - model = N2P2 -else: - model = DEEPMD - -def prob_replace_pdb(total,success,good_pdb,start_pdb): - """ - Probabilistically replace the MD start PDB file - - Normally the MD tasks start from the last structure that needed - more training data from the previous MD run. This facilitates - exploring more of the molecular phase space, but it can also - take the calculation into rediculous regions of phase space. - These regions are typically characterized with most if not all - DFT calculations failing. This function probabilistically - replaces the starting PDB structure with a good structure - based on the fraction of DFT calculations that fail. - - total - the total number of DFT calculations - success - the number of successful DFT calculations - good_pdb - a file with a known good structure - start_pdb - the file with the MD starting structure - """ - fails = total - success - fraction_fails = (1.0*fails)/(1.0*total) - rnd = random.uniform(0.0,1.0) - if rnd <= fraction_fails: - # Copy good_pdb over start_pdb - path = shutil.copy(good_pdb,start_pdb) - with open("switches.txt","a") as fp: - fp.write("restart dynamics from initial structure\n") - else: - with open("switches.txt","a") as fp: - fp.write("continue dynamics from last structure\n") - -# the NWCHEM_TOP environment variable needs to be set to specify -# where the NWChem executable lives. -nwchem_top = None -deepmd_source_dir = None -test_data = Path("../../../../../data/h2co/system") -test_pdb = Path(test_data,"h2co-unfolded.pdb") -test_inp = "h2co.nwi" -test_out = "h2co.nwo" -test_path = Path("./test_dir") -curr_path = Path("./") -test_path = Path(sys.argv[1]) -#os.mkdir(test_path) -os.chdir(test_path) -# print("Generate NWChem input files") -# inputs_cp = ase_nwchem.fetch_input(test_data) -# inputs_gn = ase_nwchem.perturb_mol(30,test_pdb) -# inputs = inputs_cp + inputs_gn -# print(inputs) -# print("Run NWChem") -# for instance in inputs: -# test_inp = instance.with_suffix(".nwi") -# test_out = instance.with_suffix(".nwo") -# ase_nwchem.run_nwchem(nwchem_top,test_inp,test_out) -print("Extract NWChem results") -#test_dat = glob.glob("*.nwo") -# We just want to add the data from the last batch of DFT calculations. -test_dat = [] -with open("inputs.txt", "r") as fp: - lines = fp.readlines() -num_inputs = len(lines) -for line in lines: - filename = line.strip() - test_out = Path(filename).with_suffix(".nwo") - if os.path.exists(test_out): - test_dat.append(test_out) -num_success = len(test_dat) -prob_replace_pdb(num_inputs,num_success,test_pdb,Path("tmp.pdb")) -ase_nwchem.nwchem_to_raw(test_dat) -if model == DEEPMD: - # We need a DeePMD script for this conversion. - # We shouldn't force DeePMD to be installed if we're - # not using it. So skip this step if we're not - # using DeePMD. - print("Convert raw files to NumPy files") - ase_nwchem.raw_to_deepmd(deepmd_source_dir) -print("Convert raw files to N2P2 files") -n2p2.generate_n2p2_test_files_for_all_folders() -print("All done") diff --git a/src/sim/nwchem/n2p2.py b/src/sim/nwchem/n2p2.py deleted file mode 100644 index 78cef31..0000000 --- a/src/sim/nwchem/n2p2.py +++ /dev/null @@ -1,195 +0,0 @@ -import os -# Written by Nothando Khumalo, August 16, 2024 - -""" This program takes the trainig data generated from nwchem and formats it as input data for - n2p2 calculations. """ - -def create_file(filename): - """ - Creates a new file with the given filename. - """ - with open(filename, 'w') as file: - file.write("") # Create an empty file - -def write_to_file(filename, molecule_name, coord_file, type_map_file, type_file, force_file, energy_file, mol_identifier): - """ - Writes the necessary data to the file according to the provided algorithm. - """ - with open(filename, 'a') as file: - - # Read the data from input files - geometries = read_geometries(coord_file) - coords = geometries[0] - num_geom = len(geometries) - num_atoms = len(coords) - elements = read_elements(type_map_file, type_file, num_atoms) - elements_str = read_unique_elements(type_map_file) - forces = read_forces(force_file) - energies = read_energy(energy_file) - - for j in range(num_geom): - # Write the header - file.write("begin\n") - file.write(f"comment {molecule_name} ({elements_str})\n") - coords = geometries[j] - fcoords = forces[j] - # Write the data to the file - for i in range(num_atoms): - file.write("atom ") - x1, y1, z1 = coords[i] - e1 = elements[i] - fx1, fy1, fz1 = fcoords[i] - c1, n1 = 0.0, 0.0 # These values are not used - - # Write the atom line - file.write(f"{x1} {y1} {z1} {e1} {c1} {n1} {fx1} {fy1} {fz1}\n") - - # Write the energy value from the beginning of the list - file.write(f"energy {energies[j]}\n") # Use the first energy value - - # Write footer - file.write("charge 0.0\n") - file.write("end\n") - print("wrote to file") - -def read_geometries(coord_file): - """ - Reads the geometries from coord.raw and the coordinates of each geometry. - The coordinates of each geometry are converted into a list of tuples, - and the geometries are returned as a list of coordinates. - In the coordinates each tuple corresponds to the (x, y, z) coordinates of an atom. - """ - geometries = [] - with open(coord_file, 'r') as file: - lines = file.readlines() - for line in lines: - coords = [] - values = list(map(float, line.split())) - for i in range(0, len(values), 3): - x, y, z = values[i], values[i+1], values[i+2] - coords.append((x, y, z)) - geometries.append(coords) - print("coords taken") - return geometries - -def read_elements(type_map_file, type_file, num_atoms): - """ - Reads the element symbols from the type_map.raw file. The element indeces come - from type.raw. Then look up the elements names and compile a list of chemical - symbols. The function returns a list of elements, where each element corresponds to an atom. - """ - elements = [] - with open(type_map_file, 'r') as file: - # Read all element symbols from the file (assuming they are space-separated on a single line) - element_symbols = file.read().split() - for ii in range(len(element_symbols)): - element_symbols[ii] = element_symbols[ii].capitalize() - with open(type_file, 'r') as file: - # Read all element indices from the file - element_indeces = file.read().split() - if len(element_indeces) != num_atoms: - raise RuntimeError(f"Inconsistent number of atoms!\nnum_atoms={str(num_atoms)}\nelement_indeces={str(element_indeces)}") - - # Repeat or slice the element symbols to match the number of atoms - for i in range(num_atoms): - elements.append(element_symbols[int(element_indeces[i])]) - print("element read") - #print(elements) - return elements - -def read_unique_elements(type_map_file): - """ - Reads the element symbols from the type_map.raw file and return them as a string. - """ - with open(type_map_file, 'r') as file: - # Read all element symbols from the file (assuming they are space-separated on a single line) - element_symbols = file.read().split() - element_str = "" - for element in element_symbols: - if len(element_str) > 0: - element_str += " " - element_str += element.capitalize() - print("unique element read") - #print(element_symbols) - return element_str - -def read_forces(force_file): - """ - Reads the force values from the force.raw file and returns them as a list of tuples. - Each tuple corresponds to the (fx, fy, fz) forces acting on an atom. - """ - forces = [] - with open(force_file, 'r') as file: - lines = file.readlines() - for line in lines: - fcoords = [] - values = list(map(float, line.split())) - for i in range(0, len(values), 3): - fx, fy, fz = values[i], values[i+1], values[i+2] - fcoords.append((fx, fy, fz)) - forces.append(fcoords) - print("forces acquired") - return forces - -def read_energy(energy_file): - """ - Reads the energy values from the energy.raw file and returns them as a list of floats. - """ - energies = [] - with open(energy_file, 'r') as file: - lines = file.readlines() - for line in lines: - energy = float(line.strip()) - energies.append(energy) - print("energy") - return energies - -def find_molecule_folders(directory='.'): - """ - Finds folders with names starting with 'training_mol_' in the specified directory. - Returns a list of tuples (folder_path, molecule_identifier). - """ - folders = [] - for entry in os.listdir(directory): - if entry.startswith('training_mol_') and os.path.isdir(os.path.join(directory, entry)): - mol_identifier = entry[len('training_mol_'):] # Extract the part after 'training_mol_' - folder_path = os.path.join(directory, entry) - folders.append((folder_path, mol_identifier)) - if entry.startswith('validate_mol_') and os.path.isdir(os.path.join(directory, entry)): - mol_identifier = entry[len('validate_mol_'):] # Extract the part after 'training_mol_' - folder_path = os.path.join(directory, entry) - folders.append((folder_path, mol_identifier)) - print(folders) - print("training_mol folders found") - return folders - -def generate_n2p2_test_files_for_all_folders(): - """ - Finds all relevant folders and generates n2p2 test files for each. - """ - print("going through files") - folders = find_molecule_folders() - folder_path, mol_identifier = folders[0] - output_filename = os.path.join(folder_path, "..", "input.data") - create_file(output_filename) - for folder_path, mol_identifier in folders: - molecule_name = mol_identifier - # Turns out N2P2 reads only 1 file for the whole training set - #output_filename = os.path.join(folder_path, f"{molecule_name}_input.data") - coord_file = os.path.join(folder_path, "coord.raw") - type_map_file = os.path.join(folder_path, "type_map.raw") - type_file = os.path.join(folder_path, "type.raw") - force_file = os.path.join(folder_path, "force.raw") - energy_file = os.path.join(folder_path, "energy.raw") - - generate_n2p2_test_file(output_filename, molecule_name, coord_file, type_map_file, type_file, force_file, energy_file, mol_identifier) - -def generate_n2p2_test_file(output_filename, molecule_name, coord_file, type_map_file, type_file, force_file, energy_file, mol_identifier): - """ - Generates the n2p2 test file by calling the necessary functions. - """ - write_to_file(output_filename, molecule_name, coord_file, type_map_file, type_file, force_file, energy_file, mol_identifier) - -# Run the script for all folders -if __name__ == "__main__": - sample = generate_n2p2_test_files_for_all_folders() diff --git a/src/sim/nwchem/nwchem.py b/src/sim/nwchem/nwchem.py deleted file mode 100644 index e70a90f..0000000 --- a/src/sim/nwchem/nwchem.py +++ /dev/null @@ -1,394 +0,0 @@ -''' -Define the setup to run an NWChem MD simulation - -MD simulations in NWChem go through a number of stages: - - Generate an nwchemrc file detailing where the - parameter files reside - - Creating a topology file - - Relaxing the initial structure - - Running MD simulations - - Analyzing the results -Here we provide functions for each of these stages. For -actual runs an number of these phases might be combined -so that ultimately we have only three phases: - - Initialization - - Simulation - - Analysis -''' -import os -from os import PathLike -import glob -import subprocess -import MDAnalysis -from pathlib import Path - -def make_nwchemrc(workdir: PathLike, nwchem_top: PathLike) -> None: - ''' - Create an nwchemrc file if needed - - Check whether the nwchemrc file exists. If it does - not, create one with the appropiate paths for the - force field parameters. The force field parameters - live under nwchem_top/src/data/. - ''' - if (Path("/etc/nwchemrc").is_file() or - Path("~/.nwchemrc").is_file() or - Path(workdir.joinpath("nwchemrc")).is_file()): - # The nwchemrc already exists, so we are done - return - if not nwchem_top: - nwchem_top = Path(os.environ.get("NWCHEM_TOP")) - else: - nwchem_top = Path(nwchem_top) - if nwchem_top: - nwchem_data = nwchem_top.joinpath("src/data") - else: - raise RuntimeError("make_nwchemrc: NWCHEM_TOP undefined") - fp = open(workdir.joinpath("nwchemrc"),"w") - fp.write("ffield amber\n") - # We cannot use joinpath here as that would strip the trailing "/" off. - # In NWChem the trailing "/" indicates a directory instead of a file, - # i.e. "stuff" is a file whereas "stuff/" is a directory. - fp.write("amber_1 "+str(nwchem_data)+"/amber_s/\n") - fp.write("amber_2 "+str(nwchem_data)+"/amber_x/\n") - fp.write("amber_3 "+str(nwchem_data)+"/amber_t/\n") - fp.write("amber_4 "+str(nwchem_data)+"/amber_q/\n") - fp.write("amber_5 "+str(nwchem_data)+"/amber_u/\n") - fp.write("spce "+str(nwchem_data)+"/solvents/spce.rst\n") - fp.close() - -def run_nwchem(nwchem_top: PathLike, tag: str) -> None: - ''' - Run the NWChem executable in a system call - - NWChem is invoked with fixed command line parameters. - - nwchem.nw - input file - - nwchem.out - output file - The executable name is constructed from NWCHEM_TOP as - NWCHEM_TOP/bin/LINUX64/nwchem. In principle LINUX64 - could be different for different operating systems, - but at present LINUX64 is correct for almost any - computer system (this used to be very different). - ''' - if not nwchem_top: - nwchem_top = os.environ.get("NWCHEM_TOP") - if nwchem_top: - nwchem_exe = nwchem_top+"/bin/LINUX64/nwchem" - else: - raise RuntimeError("run_nwchem: NWCHEM_TOP undefined") - if not Path(nwchem_exe).is_file(): - raise RuntimeError("run_nwchem: NWCHEM_EXE("+nwchem_exe+") is not a file") - fp = open("nwchemdat"+str(tag)+".out","w") - subprocess.run([nwchem_exe,"nwchemdat.nw"],stdout=fp,stderr=subprocess.STDOUT) - fp.close() - -def replace_restart_file() -> None: - ''' - Replace the restart file after minimization - - After the prepare stage the energy of the structure needs to be - minimized. The minimization produces a new restart file but with - a different name. We need to replace the old restart file with - the new one otherwise the dynamics run will fail. - ''' - if Path("nwchemdat_md.qrs").is_file(): - subprocess.run(["cp","nwchemdat_md.qrs","nwchemdat_md.rst"]) - -def cp_ff_files(case_path: PathLike) -> None: - ''' - Copy files that NWChem needs to interpret the PDB correctly - - NWChem comes with datasets that specify the force field that is - going to be used. However, in biology there are many different - molecules. The integrated datasets cannot accommodate every - possible molecule. - - So for some cases you may need additional - force field parameters, fragment files, or segment files to - tell the code how to type atoms and what force field parameters - to use. These files need to copied to the current working - directory for the calculation to run. - ''' - case_path_par = str(case_path.joinpath("*.par")) - case_path_frg = str(case_path.joinpath("*.frg")) - case_path_sgm = str(case_path.joinpath("*.sgm")) - filelist = glob.glob(case_path_par) - filelist.extend(glob.glob(case_path_frg)) - filelist.extend(glob.glob(case_path_sgm)) - for filename in filelist: - subprocess.run(["cp",str(filename),"."]) - - -def gen_input_prepare(pdb: PathLike) -> None: - ''' - Generate the input for the PREPARE step that creates the topology and restart files - - This step is typically run in serial so it should be separate from - steps that might run in parallel. - ''' - if not pdb: - raise RuntimeError("gen_input_prepare: no PDB file for structure") - if not Path(pdb).is_file(): - raise RuntimeError("gen_input_prepare: PDB("+pdb+") is not a file") - # Need to copy the PDB file because NWChem accepts filenames of only 80 characters at most. - subprocess.run(["cp",str(pdb),"nwchemdat_input.pdb"]) - fix_input_pdb("nwchemdat_input.pdb") - fp = open("nwchemdat.nw","w") - fp.write("echo\n") - fp.write("start nwchemdat\n") - fp.write("prepare\n") - fp.write(" system nwchemdat_md\n") - # make a new restart file - fp.write(" new_rst\n") - # make a new topology file and sequence file - fp.write(" new_top new_seq\n") - fp.write(" source nwchemdat_input.pdb\n") - fp.write(" solvent name HOH model spce\n") - fp.write(" solvate\n") - fp.write("end\n") - fp.write("task prepare\n") - fp.close() - -def gen_input_minimize() -> None: - ''' - Generate input for minimization - ''' - fp = open("nwchemdat.nw","w") - fp.write("echo\n") - fp.write("start nwchemdat\n") - fp.write("md\n") - # we need sufficient memory for the structure - fp.write(" msa 100000\n") - fp.write(" system nwchemdat_md\n") - fp.write(" sd 500\n") - fp.write(" cg 500\n") - fp.write(" print extra out6\n") - fp.write("end\n") - fp.write("task md optimize\n") - fp.close() - -def gen_input_dynamics(do_md: bool, md_dt_ps: float, md_time_ns: float, temperature_K: float, report_interval_ps: float) -> None: - ''' - Generate input for minimization - - do_md: if True generate input for proper MD run - else generate input for equilibration - md_dt_ps: the time step in picoseconds - md_time_ns: the simulation time in nanoseconds - temperature_K: the temperature in Kelvin - report_interval_ps: the time between writing the system coordinates - to the trajectory file - ''' - if not md_dt_ps: - raise RuntimeError("gen_input_dynamics: undefined timestep") - if not md_time_ns: - raise RuntimeError("gen_input_dynamics: undefined simulation time") - if not temperature_K: - raise RuntimeError("gen_input_dynamics: undefined temperature") - if not report_interval_ps: - raise RuntimeError("gen_input_dynamics: undefined report interval") - numsteps = max(int((md_time_ns*1000)/md_dt_ps),1) - nreport = max(int(report_interval_ps/md_dt_ps),1) - fp = open("nwchemdat.nw","w") - fp.write("echo\n") - fp.write("start nwchemdat\n") - fp.write("md\n") - # we need sufficient memory for the structure - fp.write(" msa 100000\n") - fp.write(" system nwchemdat_md\n") - if do_md: - fp.write(" vreass "+str(numsteps)+" "+str(temperature_K)+" 1.0\n") - else: - fp.write(" vreass 1 "+str(temperature_K)+" 0.5\n") - fp.write(" step "+str(md_dt_ps)+" equil 0 data "+str(numsteps)+"\n") - fp.write(" isotherm "+str(temperature_K)+" trelax 0.1\n") - # the Berendsen thermostat is susceptable to the flying ice cube syndrome - # suppress translational and rotational motion to avoid this. - fp.write(" update motion 100\n") - fp.write(" print extra out6\n") - fp.write(" record rest "+str(numsteps)+"\n") - if do_md: - fp.write(" record scoor "+str(nreport)+" ascii\n") - fp.write("end\n") - fp.write("task md dynamics\n") - fp.close() - -def gen_input_analysis() -> None: - ''' - Convert the NWChem trajectory to common file formats - - The NWChem topology and trajectory files (.top and .trj) are stored - in its own data format. For other tools to access this data it needs - to be converted. - - The analysis needs to produce 2 files: - - A file that defines the atoms (here we'll generate a PDB file) - - A file with a time series of atom positions (here we'll generate an - - We assume that only the coordinates of the solute are relevant. The - solvent has no structure and pretty much does whatever it wants. So - exploring the phase space of the solvent is a waste. - - NWChem seems to have a major bug in that when converting the - trajectory into XYZ format it also prints out the water molecules - even if you ask for just the solute atoms. All water atoms are just - placed at position 0,0,0. - ''' - fp = open("nwchemdat.nw","w") - fp.write("echo\n") - fp.write("start nwchemdat\n") - fp.write("analysis\n") - fp.write(" system nwchemdat_md\n") - fp.write(" reference nwchemdat_md.rst\n") - fp.write(" file nwchemdat_md.trj\n") - #fp.write(" write 1 solute nwchemdat_md.pdb\n") - fp.write(" write 1 nwchemdat_md.pdb\n") - # Use a large number of frames here it will save only what there is - fp.write(" frames 1 1000000 1\n") - fp.write(" copy solute nwchemdat_md.xyz\n") - #fp.write(" copy nwchemdat_md.xyz\n") - fp.write("end\n") - fp.write("task analysis\n") - fp.close() - -def fix_nwchem_xyz(xyz_file: PathLike) -> None: - ''' - The NWChem MD Analysis module writes broken XYZ files that need fixing - - For the solute atoms the analysis module in nwchem writes: - - Chemical_Symbol X, Y, Z - - This is invalid and causes problems with Python based XYZ readers. - The correct format is - - Chemical_Symbol X Y Z - - I.e. there should be no commas. - This function replaces all the commas with spaces to fix this - issue. - - Depending on the values of the coordinates NWChem may write the - coordinates in a funky Fortran way. E.g. the code may write - - H -3.95 2*8.81 - - instead of - - H -3.95 8.81 8.81 - - I think even Fortran cannot read this data format. - This function also detects this "*"-notation and converts it - back to compliant XYZ. - ''' - if not [ [Path(xyz_file).suffix == ".xyz"] or [Path(xyz_file).suffix == ".XYZ"] ]: - return - fp = open(xyz_file,"r") - in_xyz = fp.readlines() - fp.close() - out_xyz = [] - for line in in_xyz: - # Fix any comma-s - line1 = line.replace(","," ") - # Fix any *-notation stuff - if "*" in line1: - tokens = line1.split() - # Keep the element symbol - line2 = tokens[0] - # Process the coordinates - for token in tokens[1:]: - if "*" in token: - tokens2 = token.split("*") - n = int(tokens2[0]) - for i in range(0,n): - line2 = line2 + " " + tokens2[1] - else: - line2 = line2 + " " + token - line2 = line2 + "\n" - else: - line2 = line1 - out_xyz.append(line2) - fp = open(xyz_file,"w") - fp.writelines(out_xyz) - fp.close() - -def fix_input_pdb(pdb_file: PathLike) -> None: - ''' - Fix the input PDB files that MDAnalysis produces - - The MDAnalysis package typically fails to read the CRYST1 line - in a PDB file. The package considers that this is not a problem - as most PDB file will list lattice vectors with lengths of 1.0 - anyway. However, for MD programs this is often a problem as they - use the CRYST1 line to define the simulation box. A box of - 1 Angstrom cubed is way too small and causes calculations to fail - as the solute cannot be solvated in such a tiny box. - - This function addresses this problem by reading the PDB file, - finding the minimum and maximum x-, y-, and z-coordinates, - calculate the minimum box edges required, add 7.5 Angstrom - of padding and generates a cubic box of the largest edge length. - The CRYST1 line is then updated with these dimensions and the PDB - file saved. - ''' - if not [ [Path(pdb_file).suffix == ".pdb"] or [Path(pdb_file).suffix == ".PDB"] ]: - return - fp = open(pdb_file,"r") - in_pdb = fp.readlines() - fp.close() - out_pdb = [] - x_min = 1.0e12 - x_max = -1.0e12 - y_min = 1.0e12 - y_max = -1.0e12 - z_min = 1.0e12 - z_max = -1.0e12 - for line in in_pdb: - if line[:6] == "HETATM" or line[:6] == "ATOM ": - x = float(line[30:38]) - y = float(line[38:46]) - z = float(line[46:54]) - if x < x_min: - x_min = x - if x_max < x: - x_max = x - if y < y_min: - y_min = y - if y_max < y: - y_max = y - if z < z_min: - z_min = z - if z_max < z: - z_max = z - x_len = x_max - x_min - y_len = y_max - y_min - z_len = z_max - z_min - length = x_len - if y_len > length: - length = y_len - if z_len > length: - length = z_len - length += 7.5 # This length cubed is the final box size - for line in in_pdb: - if line[:6] == "CRYST1": - out_pdb.append(f"CRYST1{length:9.3f}{length:9.3f}{length:9.3f} 90.00 90.00 90.00 P 1 1\n") - else: - out_pdb.append(line) - fp = open(pdb_file,"w") - fp.writelines(out_pdb) - fp.close() - -def read_trajectory(topology: PathLike, trajectory: PathLike) -> None: - ''' - Read the NWChem trajectory file and return the structure within - ''' - if not Path(topology).is_file(): - raise RuntimeError("read_trajectory: no topology file") - if not Path(trajectory).is_file(): - raise RuntimeError("read_trajectory: no trajectory file") - if Path(topology).suffix == ".xyz": - fix_nwchem_xyz(topology) - if Path(trajectory).suffix == ".xyz": - fix_nwchem_xyz(trajectory) - out = MDAnalysis.Universe(topology,trajectory) - return out diff --git a/src/sim/nwchem/nwchem_test.py b/src/sim/nwchem/nwchem_test.py deleted file mode 100644 index 0457cd4..0000000 --- a/src/sim/nwchem/nwchem_test.py +++ /dev/null @@ -1,61 +0,0 @@ -''' -A test driver for the code in nwchem.py - -Basically this code makes sure that -1. We can generate a valid nwchemrc file -2. We can generate and run the input for the prepare stage -3. We can generate and run the input for the energy minimization -4. We can generate and run the input for the MD -5. We can generate and run the input for a subsequent MD -6. We can generate and run the input for the trajectory conversion -In particular step 5 is important. We do not want to start from -scratch. Instead we want to start from an existing topology file -and restart file but generate an new trajectory file with -additional time frames. -''' - -import nwchem -import os -import subprocess -from pathlib import Path - -# You'll have to set the NWCHEM_TOP environment variable to tell where -# NWChem lives. This location is installation dependent. -nwchem_top = None -test_pdb = "../../../../data/7cz4/system/7CZ4-unfolded.pdb" -test_path = Path("./test_dir") -curr_path = Path("./") -# Create directory for the test -os.mkdir(test_path) -os.chdir(test_path) -# Setting the system up -print("Set system up") -nwchem.make_nwchemrc(curr_path,nwchem_top) -print(" - Prepare the system") -nwchem.cp_ff_files(os.path.dirname(test_pdb)) -nwchem.gen_input_prepare(test_pdb) -nwchem.run_nwchem(nwchem_top,"_prepare") -print(" - Minimize the energy") -nwchem.gen_input_minimize() -nwchem.run_nwchem(nwchem_top,"_minimize") -print(" - Replace restart file") -nwchem.replace_restart_file() -print(" - Run an equilibration simulation") -nwchem.gen_input_dynamics(False,0.002,0.004,310.15,0.2) -nwchem.run_nwchem(nwchem_top,"_equilibrate") -# Run a MD short simulation -print("Run a MD short simulation") -nwchem.gen_input_dynamics(True,0.002,0.000200,310.15,0.002) -nwchem.run_nwchem(nwchem_top,"_dynamics1") -print("Run a MD short simulation") -nwchem.gen_input_dynamics(True,0.002,0.000200,310.15,0.002) -nwchem.run_nwchem(nwchem_top,"_dynamics2") -# Convert the trajectory -print("Convert the trajectory") -nwchem.gen_input_analysis() -nwchem.run_nwchem(nwchem_top,"_analysis") -print("Read the trajectory data") -data = nwchem.read_trajectory("nwchemdat_md.xyz","nwchemdat_md.xyz") -print(data) - - diff --git a/src/sim/nwchem/run_nwchem.py b/src/sim/nwchem/run_nwchem.py deleted file mode 100644 index b1be6b8..0000000 --- a/src/sim/nwchem/run_nwchem.py +++ /dev/null @@ -1,337 +0,0 @@ -import shutil -import os -import sys -import time -from pathlib import Path -from typing import Optional - -import openmm -import openmm.unit as u # type: ignore[import] -import openmm.app as app # type: ignore[import] -from mdtools.nwchem.reporter import OfflineReporter # type: ignore[import] - -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.sim.nwchem.config import NWChemConfig -from deepdrivemd.sim.nwchem import nwchem -from deepdrivemd.utils import Timer, parse_args - -import MDAnalysis -import subprocess - - -class SimulationContext: - def __init__(self, cfg: NWChemConfig): - - self.cfg = cfg - self.api = DeepDriveMD_API(cfg.experiment_directory) - self._prefix = self.api.molecular_dynamics_stage.unique_name(cfg.output_path) - self._top_file: Optional[Path] = None - self._rst_file: Optional[Path] = None - - # Use node local storage if available. Otherwise, write to output directory. - if cfg.node_local_path is not None: - self.workdir = cfg.node_local_path.joinpath(self._prefix) - else: - self.workdir = cfg.output_path - - self._init_workdir() - - @property - def _sim_prefix(self) -> Path: - return self.workdir.joinpath(self._prefix) - - @property - def pdb_file(self) -> str: - return self._pdb_file.as_posix() - - @property - def traj_file(self) -> str: - return self._sim_prefix.with_suffix(".dcd").as_posix() - - @property - def h5_prefix(self) -> str: - return self._sim_prefix.as_posix() - - @property - def log_file(self) -> str: - return self._sim_prefix.with_suffix(".log").as_posix() - - @property - def top_file(self) -> Optional[str]: - if self._top_file is None: - return None - return self._top_file.as_posix() - - @property - def rst_file(self) -> Optional[str]: - if self._rst_file is None: - return None - return self._rst_file.as_posix() - - @property - def reference_pdb_file(self) -> Optional[str]: - if self.cfg.reference_pdb_file is None: - return None - return self.cfg.reference_pdb_file.as_posix() - - def _init_workdir(self) -> None: - """Setup workdir and change into it.""" - - self.workdir.mkdir(exist_ok=True) - nwchem.make_nwchemrc(self.workdir,self.cfg.nwchem_top_dir) - - self._pdb_file = self._get_pdb_file() - - os.chdir(self.workdir) - - def _get_pdb_file(self) -> Path: - if self.cfg.pdb_file is not None: - # Initial iteration - return self._copy_pdb_file() - - # Iterations after outlier detection - outlier = self.api.get_restart_pdb(self.cfg.task_idx, self.cfg.stage_idx - 1) - system_name = self.api.get_system_name(outlier["structure_file"]) - pdb_file = self.workdir.joinpath(f"{system_name}__{self._prefix}.pdb") - self.api.write_pdb( - pdb_file, - outlier["structure_file"], - outlier["traj_file"], - outlier["frame"], - self.cfg.in_memory, - ) - return pdb_file - - def _copy_pdb_file(self) -> Path: - assert self.cfg.pdb_file is not None - copy_to_file = self.api.get_system_pdb_name(self.cfg.pdb_file) - local_pdb_file = shutil.copy( - self.cfg.pdb_file, self.workdir.joinpath(copy_to_file) - ) - return Path(local_pdb_file) - - def _copy_top_file(self) -> Path: - assert self.cfg.top_suffix is not None - top_file = self.api.get_topology( - self.cfg.initial_pdb_dir, Path(self.pdb_file), self.cfg.top_suffix - ) - assert top_file is not None - local_top_file = shutil.copy(top_file, self.workdir.joinpath(top_file.name)) - return Path(local_top_file) - - def _copy_rst_file(self) -> Path: - assert self.cfg.rst_suffix is not None - # We can abuse get_topology to get the restart file, the only difference is the suffix - # Nevertheless, we might want to change the API. - rst_file = self.api.get_topology( - self.cfg.initial_pdb_dir, Path(self.pdb_file), self.cfg.rst_suffix - ) - assert rst_file is not None - local_rst_file = shutil.copy(rst_file, self.workdir.joinpath(rst_file.name)) - return Path(local_rst_file) - - def move_results(self) -> None: - ''' - Move all files from the work directory to the output directory - - With NWChem this seems a bad idea as the code generates a - number of scratch files. So this stores a lot of junk. - ''' - if self.workdir != self.cfg.output_path: - for p in self.workdir.iterdir(): - shutil.move(str(p), str(self.cfg.output_path.joinpath(p.name))) - -class Simulation: - def __init__(self,pdb_file): - self.pdb_file = Path(pdb_file) - self.reporters = [] - self.topology = app.PDBFile(str(self.pdb_file)).topology - -def configure_reporters( - sim: "app.Simulation", - ctx: SimulationContext, - cfg: NWChemConfig, - report_steps: int, - frames_per_h5: int, -) -> None: - # Configure DCD file reporter - sim.reporters.append(app.DCDReporter(ctx.traj_file, report_steps)) - - # Configure contact map reporter - sim.reporters.append( - OfflineReporter( - ctx.h5_prefix, - report_steps, - frames_per_h5=frames_per_h5, - wrap_pdb_file=ctx.pdb_file if cfg.wrap else None, - reference_pdb_file=ctx.reference_pdb_file, - openmm_selection=cfg.nwchem_selection, - mda_selection=cfg.mda_selection, - threshold=cfg.threshold, - contact_map=cfg.contact_map, - point_cloud=cfg.point_cloud, - fraction_of_contacts=cfg.fraction_of_contacts, - ) - ) - - # Configure simulation output log - sim.reporters.append( - app.StateDataReporter( - ctx.log_file, - report_steps, - step=True, - time=True, - speed=True, - potentialEnergy=True, - temperature=True, - totalEnergy=True, - ) - ) - -def configure_simulation( - init_pdb_dir, # init_pdb_dir=ctx.init_pdb_dir, - pdb_file, # pdb_file=ctx.pdb_file, - top_file, # top_file=ctx.top_file, - solvent_type, # solvent_type=cfg.solvent_type, - dt_ps, # dt_ps=cfg.dt_ps, - temperature_kelvin, # temperature_kelvin=cfg.temperature_kelvin, - nwchem_top_dir # nwchem_top_dir=cfg.nwchem_top_dir - ) -> None: - # Run prepare - nwchem.cp_ff_files(init_pdb_dir) - nwchem.gen_input_prepare(pdb_file) - nwchem.run_nwchem(nwchem_top_dir,"_prepare") - # Run minimization - nwchem.gen_input_minimize() - nwchem.run_nwchem(nwchem_top_dir,"_minimize") - nwchem.replace_restart_file() - # Run equilibration (always needed as we resolvate the chemical system) - do_dynamics = False - time_ns = 2*dt_ps - nwchem.gen_input_dynamics(do_dynamics,dt_ps,time_ns,temperature_kelvin,dt_ps) - nwchem.run_nwchem(nwchem_top_dir,"_equilibrate") - -def run_steps( - dt_ps, # dt_ps=cfg.dt_ps, - time_ns, # time_ns=ctx.simulation_length_ns, - report_ps, # report_ps=ctx.report_interval_ps, - temperature_k, # temperature_k=cfg.temperature_kelvin, - nwchem_top_dir # nwchem_top_dir=cfg.nwchem_top_dir - ) -> None: - do_dynamics = True - nwchem.gen_input_dynamics(do_dynamics,dt_ps,time_ns,temperature_k,report_ps) - nwchem.run_nwchem(nwchem_top_dir,"_dynamics") - nwchem.gen_input_analysis() - nwchem.run_nwchem(nwchem_top_dir,"_analysis") - nwchem.fix_nwchem_xyz("nwchemdat_md.xyz") - -def run_simulation(cfg: NWChemConfig) -> None: - - # Handle files - max_retries = 3 - with Timer("molecular_dynamics_SimulationContext"): - ctx = SimulationContext(cfg) - - # Create nwchem simulation object - with Timer("molecular_dynamics_configure_simulation"): - configure_simulation( - init_pdb_dir=cfg.initial_pdb_dir.joinpath("system"), - pdb_file=ctx.pdb_file, - top_file=ctx.top_file, - solvent_type=cfg.solvent_type, - dt_ps=cfg.dt_ps, - temperature_kelvin=cfg.temperature_kelvin, - nwchem_top_dir=cfg.nwchem_top_dir - ) - - # openmm typed variables - dt_ps = cfg.dt_ps * u.picoseconds - report_interval_ps = cfg.report_interval_ps * u.picoseconds - simulation_length_ns = cfg.simulation_length_ns * u.nanoseconds - - # Write all frames to a single HDF5 file - # Steps between reporting DCD frames and logs - report_steps = int(report_interval_ps / dt_ps) - # Number of steps to run each simulation - nsteps = int(simulation_length_ns / dt_ps) - # Number of frames to report in the HDF5 file, chosen to save all reported steps - frames_per_h5 = int(nsteps / report_steps) - - # Run simulation for nsteps - with Timer("molecular_dynamics_step"): - run_steps( - dt_ps=cfg.dt_ps, - time_ns=cfg.simulation_length_ns, - report_ps=cfg.report_interval_ps, - temperature_k=cfg.temperature_kelvin, - nwchem_top_dir=cfg.nwchem_top_dir - ) - - # We need to report on structures from the trajectory file. - # OpenMM seems to write frames DCD files, but NWChem cannot. - # The regular OffLineReporter seems to store data in HDF5 files - # NWChem can produce trajectory in CRD files, or XYZ files. - # The MDAnalysis module seems to be able to read XYZ files, - # and can write DCD files. The DCD file can be converted - # into HDF5 using what the regular OffLineReporter could - # do already. - with Timer("molecular_dynamics_analysis"): - if not ctx.reference_pdb_file: - pdb_file = ctx.pdb_file - else: - pdb_file = ctx.reference_pdb_file - sim = Simulation(pdb_file) - sim.reporters.append( - OfflineReporter( - ctx.h5_prefix, - report_steps, - frames_per_h5=frames_per_h5, - wrap_pdb_file=ctx.pdb_file if cfg.wrap else None, - reference_pdb_file=ctx.reference_pdb_file, - openmm_selection=cfg.nwchem_selection, - mda_selection=cfg.mda_selection, - threshold=cfg.threshold, - contact_map=cfg.contact_map, - point_cloud=cfg.point_cloud, - fraction_of_contacts=cfg.fraction_of_contacts, - ) - ) - pdb = MDAnalysis.Universe("nwchemdat_input.pdb","nwchemdat_input.pdb") - num_frames = 0 - num_retries = 0 - while num_frames < frames_per_h5 and num_retries < max_retries: - num_frames = 0 - trj = MDAnalysis.Universe("nwchemdat_md.pdb","nwchemdat_md.xyz") - selection = f"bynum 1:{pdb.trajectory.n_atoms}" - solute = trj.select_atoms(selection) - with MDAnalysis.Writer(ctx.traj_file,pdb.trajectory.n_atoms) as wrt: - for ts in trj.trajectory: - wrt.write(solute) - num_frames += 1 - trj.trajectory.close() - num_retries += 1 - if num_frames < frames_per_h5 and not num_retries < max_retries: - raise IOError("Trajectory file nwchemdat_md.xyz corrupted") - dcd = MDAnalysis.Universe("nwchemdat_input.pdb",ctx.traj_file) - for ts in dcd.trajectory: - sim.reporters[0].report(sim,ts) - # At this moment nwchemdat_md.pdb contain all atoms, i.e. solute and solvent - # for the outlier detection we just want the solute atoms. Fix this - # by overwriting nwchemdat_md.pdb with the input PDB file. - subprocess.run(["cp","nwchemdat_input.pdb","nwchemdat_md.pdb"]) - # Each trajectory file is easily 700 MB in size, as we do not need this - # data after converting the trajectory to the DCD format we should get - # rid of this file. - subprocess.run(["rm","nwchemdat_md.xyz"]) - - # Move simulation data to persistent storage - with Timer("molecular_dynamics_move_results"): - if cfg.node_local_path is not None: - ctx.move_results() - - -if __name__ == "__main__": - with Timer("molecular_dynamics_stage"): - args = parse_args() - cfg = NWChemConfig.from_yaml(args.config) - run_simulation(cfg) diff --git a/src/sim/openmm/__init__.py b/src/sim/openmm/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/sim/openmm/config.py b/src/sim/openmm/config.py deleted file mode 100644 index 9ecffe4..0000000 --- a/src/sim/openmm/config.py +++ /dev/null @@ -1,56 +0,0 @@ -from enum import Enum -from pathlib import Path -from typing import Any, Dict, List, Optional - -from pydantic import root_validator - -from deepdrivemd.config import MolecularDynamicsTaskConfig - - -class OpenMMConfig(MolecularDynamicsTaskConfig): - class MDSolvent(str, Enum): - implicit = "implicit" - explicit = "explicit" - - solvent_type: MDSolvent = MDSolvent.implicit - top_suffix: Optional[str] = ".top" - simulation_length_ns: float = 10 - report_interval_ps: float = 50 - dt_ps: float = 0.002 - temperature_kelvin: float = 310.0 - heat_bath_friction_coef: float = 1.0 - # Whether to wrap system, only implemented for nsp system - # TODO: generalize this implementation. - wrap: bool = False - # Reference PDB file used to compute RMSD and align point cloud - reference_pdb_file: Optional[Path] - # Atom selection for openmm - openmm_selection: List[str] = ["CA"] - # Atom selection for MDAnalysis - mda_selection: str = "protein and name CA" - # Distance threshold to use for computing contact (in Angstroms) - threshold: float = 8.0 - # Write contact maps to HDF5 - contact_map: bool = True - # Write point clouds to HDF5 - point_cloud: bool = True - # Write fraction of contacts to HDF5 - fraction_of_contacts: bool = True - # Read outlier trajectory into memory while writing PDB file - in_memory: bool = True - - @root_validator() - def explicit_solvent_requires_top_suffix( - cls, values: Dict[str, Any] - ) -> Dict[str, Any]: - top_suffix = values.get("top_suffix") - solvent_type = values.get("solvent_type") - if solvent_type == "explicit" and top_suffix is None: - raise ValueError( - "Explicit solvents require a topology file with non-None suffix" - ) - return values - - -if __name__ == "__main__": - OpenMMConfig().dump_yaml("openmm_template.yaml") diff --git a/src/sim/openmm/run_openmm.py b/src/sim/openmm/run_openmm.py deleted file mode 100644 index bb1ef4a..0000000 --- a/src/sim/openmm/run_openmm.py +++ /dev/null @@ -1,206 +0,0 @@ -import shutil -from pathlib import Path -from typing import Optional - -import openmm.unit as u # type: ignore[import] -import openmm.app as app # type: ignore[import] -from mdtools.openmm.reporter import OfflineReporter # type: ignore[import] -from mdtools.openmm.sim import configure_simulation # type: ignore[import] - -from deepdrivemd.data.api import DeepDriveMD_API -from deepdrivemd.sim.openmm.config import OpenMMConfig -from deepdrivemd.utils import Timer, parse_args - - -class SimulationContext: - def __init__(self, cfg: OpenMMConfig): - - self.cfg = cfg - self.api = DeepDriveMD_API(cfg.experiment_directory) - self._prefix = self.api.molecular_dynamics_stage.unique_name(cfg.output_path) - self._top_file: Optional[Path] = None - - # Use node local storage if available. Otherwise, write to output directory. - if cfg.node_local_path is not None: - self.workdir = cfg.node_local_path.joinpath(self._prefix) - else: - self.workdir = cfg.output_path - - self._init_workdir() - - @property - def _sim_prefix(self) -> Path: - return self.workdir.joinpath(self._prefix) - - @property - def pdb_file(self) -> str: - return self._pdb_file.as_posix() - - @property - def traj_file(self) -> str: - return self._sim_prefix.with_suffix(".dcd").as_posix() - - @property - def h5_prefix(self) -> str: - return self._sim_prefix.as_posix() - - @property - def log_file(self) -> str: - return self._sim_prefix.with_suffix(".log").as_posix() - - @property - def top_file(self) -> Optional[str]: - if self._top_file is None: - return None - return self._top_file.as_posix() - - @property - def reference_pdb_file(self) -> Optional[str]: - if self.cfg.reference_pdb_file is None: - return None - return self.cfg.reference_pdb_file.as_posix() - - def _init_workdir(self) -> None: - """Setup workdir and copy PDB/TOP files.""" - - self.workdir.mkdir(exist_ok=True) - - self._pdb_file = self._get_pdb_file() - - if self.cfg.solvent_type == "explicit": - self._top_file = self._copy_top_file() - else: - self._top_file = None - - def _get_pdb_file(self) -> Path: - if self.cfg.pdb_file is not None: - # Initial iteration - return self._copy_pdb_file() - - # Iterations after outlier detection - outlier = self.api.get_restart_pdb(self.cfg.task_idx, self.cfg.stage_idx - 1) - system_name = self.api.get_system_name(outlier["structure_file"]) - pdb_file = self.workdir.joinpath(f"{system_name}__{self._prefix}.pdb") - self.api.write_pdb( - pdb_file, - outlier["structure_file"], - outlier["traj_file"], - outlier["frame"], - self.cfg.in_memory, - ) - return pdb_file - - def _copy_pdb_file(self) -> Path: - assert self.cfg.pdb_file is not None - copy_to_file = self.api.get_system_pdb_name(self.cfg.pdb_file) - local_pdb_file = shutil.copy( - self.cfg.pdb_file, self.workdir.joinpath(copy_to_file) - ) - return Path(local_pdb_file) - - def _copy_top_file(self) -> Path: - assert self.cfg.top_suffix is not None - top_file = self.api.get_topology( - self.cfg.initial_pdb_dir, Path(self.pdb_file), self.cfg.top_suffix - ) - assert top_file is not None - local_top_file = shutil.copy(top_file, self.workdir.joinpath(top_file.name)) - return Path(local_top_file) - - def move_results(self) -> None: - if self.workdir != self.cfg.output_path: - for p in self.workdir.iterdir(): - shutil.move(str(p), str(self.cfg.output_path.joinpath(p.name))) - - -def configure_reporters( - sim: "app.Simulation", - ctx: SimulationContext, - cfg: OpenMMConfig, - report_steps: int, - frames_per_h5: int, -) -> None: - # Configure DCD file reporter - sim.reporters.append(app.DCDReporter(ctx.traj_file, report_steps)) - - # Configure contact map reporter - sim.reporters.append( - OfflineReporter( - ctx.h5_prefix, - report_steps, - frames_per_h5=frames_per_h5, - wrap_pdb_file=ctx.pdb_file if cfg.wrap else None, - reference_pdb_file=ctx.reference_pdb_file, - openmm_selection=cfg.openmm_selection, - mda_selection=cfg.mda_selection, - threshold=cfg.threshold, - contact_map=cfg.contact_map, - point_cloud=cfg.point_cloud, - fraction_of_contacts=cfg.fraction_of_contacts, - ) - ) - - # Configure simulation output log - sim.reporters.append( - app.StateDataReporter( - ctx.log_file, - report_steps, - step=True, - time=True, - speed=True, - potentialEnergy=True, - temperature=True, - totalEnergy=True, - ) - ) - - -def run_simulation(cfg: OpenMMConfig) -> None: - - # Handle files - with Timer("molecular_dynamics_SimulationContext"): - ctx = SimulationContext(cfg) - - # Create openmm simulation object - with Timer("molecular_dynamics_configure_simulation"): - sim = configure_simulation( - pdb_file=ctx.pdb_file, - top_file=ctx.top_file, - solvent_type=cfg.solvent_type, - gpu_index=0, - dt_ps=cfg.dt_ps, - temperature_kelvin=cfg.temperature_kelvin, - heat_bath_friction_coef=cfg.heat_bath_friction_coef, - ) - - # openmm typed variables - dt_ps = cfg.dt_ps * u.picoseconds - report_interval_ps = cfg.report_interval_ps * u.picoseconds - simulation_length_ns = cfg.simulation_length_ns * u.nanoseconds - - # Write all frames to a single HDF5 file - frames_per_h5 = int(simulation_length_ns / report_interval_ps) - # Steps between reporting DCD frames and logs - report_steps = int(report_interval_ps / dt_ps) - # Number of steps to run each simulation - nsteps = int(simulation_length_ns / dt_ps) - - # Configure reporters to write output files - with Timer("molecular_dynamics_configure_reporters"): - configure_reporters(sim, ctx, cfg, report_steps, frames_per_h5) - - # Run simulation for nsteps - with Timer("molecular_dynamics_step"): - sim.step(nsteps) - - # Move simulation data to persistent storage - with Timer("molecular_dynamics_move_results"): - if cfg.node_local_path is not None: - ctx.move_results() - - -if __name__ == "__main__": - with Timer("molecular_dynamics_stage"): - args = parse_args() - cfg = OpenMMConfig.from_yaml(args.config) - run_simulation(cfg) diff --git a/src/sim/openmm_stream/__init__.py b/src/sim/openmm_stream/__init__.py deleted file mode 100644 index e69de29..0000000 diff --git a/src/sim/openmm_stream/config.py b/src/sim/openmm_stream/config.py deleted file mode 100644 index 779e660..0000000 --- a/src/sim/openmm_stream/config.py +++ /dev/null @@ -1,72 +0,0 @@ -from enum import Enum -from pathlib import Path -from typing import List, Optional - -from pydantic import root_validator - -from deepdrivemd.config import MolecularDynamicsTaskConfig - - -class OpenMMConfig(MolecularDynamicsTaskConfig): - class MDSolvent(str, Enum): - implicit = "implicit" - explicit = "explicit" - - solvent_type: MDSolvent = MDSolvent.implicit - top_suffix: Optional[str] = ".top" - simulation_length_ns: float = 10 - report_interval_ps: float = 50 - dt_ps: float = 0.002 - temperature_kelvin: float = 310.0 - heat_bath_friction_coef: float = 1.0 - # Reference PDB file used to compute RMSD and align point cloud - reference_pdb_file: Optional[Path] - # Atom selection for openmm - openmm_selection: List[str] = ["CA"] - # Atom selection for MDAnalysis - mda_selection: str = "protein and name CA" - # Distance threshold to use for computing contact (in Angstroms) - threshold: float = 8.0 - # Read outlier trajectory into memory while writing PDB file - not used but is in run*.py, should be cleaned out from there - in_memory: bool = True - # Name of bp "socket" file in simulation directory (.sst is added by adios) - bp_file: Path = "md.bp" - # adios file name copied into the simulation directory - adios_cfg: Path = "adios.xml" - # a template file for a simulation adios file (stream name should be replaced to be unique for each simulation) - adios_xml_sim: Path = "adios.xml" - # a directory with initial pdb files - initial_pdb_dir: Path = Path() - # should rmsd be computed or there is no reference pdb - compute_rmsd: bool = True - # if necessary, reduce the number of atoms participating in contact map computation to make this number divisible by: - divisibleby: int = 2 - # directory where outliers are published - outliers_dir: Path = Path() - # pickle file with outliers database - pickle_db: Path = Path() - # probability with which velocities are copied from outlier to the new state (vs generating them randomly from a distribution with the given temperature) - copy_velocities_p: float = 0.5 - # simulation directory - current_dir: Path = Path() - zcentroid_atoms: Optional[str] = "" - compute_zcentroid: bool = False - ligand: int = -1 - multi_ligand_table: Path = Path() - adios_xml_file: Path = Path() - top_file1: Path = Path() - model = "cvae" - - @root_validator() - def explicit_solvent_requires_top_suffix(cls, values: dict): - top_suffix = values.get("top_suffix") - solvent_type = values.get("solvent_type") - if solvent_type == "explicit" and top_suffix is None: - raise ValueError( - "Explicit solvents require a topology file with non-None suffix" - ) - return values - - -if __name__ == "__main__": - OpenMMConfig().dump_yaml("openmm_template.yaml") diff --git a/src/sim/openmm_stream/openmm_reporter.py b/src/sim/openmm_stream/openmm_reporter.py deleted file mode 100644 index c6eb7b0..0000000 --- a/src/sim/openmm_stream/openmm_reporter.py +++ /dev/null @@ -1,186 +0,0 @@ -import datetime -import hashlib -import sys -from typing import Dict - -import adios2 -import MDAnalysis -import numpy as np -from MDAnalysis.analysis import distances, rms - -from deepdrivemd.utils import hash2intarray, timer - - -class ContactMapReporter(object): - """Periodically reports the results of the openmm simulation""" - - def __init__(self, reportInterval, cfg): - self._reportInterval = reportInterval - print(cfg) - print(f"report interval = {reportInterval}") - print("ContactMapRepoter constructor") - - """ - ADIOS stream is opened outside of this class so that - it can be created and destroyed without affecting the connection - to the ADIOS stream. Reinitializing this class is necessary for - the multi-ligand case. - """ - - self._adios_stream = cfg._adios_stream - - self.step = 0 - self.cfg = cfg - - if cfg.compute_zcentroid or cfg.compute_rmsd: - self.universe_init = MDAnalysis.Universe(self.cfg.init_pdb_file) - if cfg.compute_zcentroid: - self.heavy_atoms = self.universe_init.select_atoms(self.cfg.zcentroid_atoms) - self.heavy_atoms_indices = self.heavy_atoms.indices - self.heavy_atoms_masses = self.heavy_atoms.masses - if cfg.compute_rmsd: - self.rmsd_positions = self.universe_init.select_atoms( - self.cfg.mda_selection - ).positions.copy() - - - """ - This ADIOS file stores trajectory for the given simulation run from - a particular initial conditions. - There is one ADIOS file for each simulation run and therefore - opening and closing this file in this class is OK since - this class is created for each simulation run as well. - The data from this file is not used during the run by other - components (which get their data via network), this file is only needed - if one wants to get positions in postproduction. - """ - - self._adios_file = adios2.open( - name=str(self.cfg.current_dir) + "/trajectory.bp", - mode="w", - config_file=str(cfg.adios_xml_file), - io_in_config_file="Trajectory", - ) - - def __del__(self): - print("ContactMapRepoter destructor") - self._adios_file.close() - - def describeNextReport(self, simulation): - steps = self._reportInterval - simulation.currentStep % self._reportInterval - return (steps, True, False, False, False, None) - - def zcentroid(self, positions): - return np.average( - positions[self.heavy_atoms_indices, 2], weights=self.heavy_atoms_masses - ) - - def report(self, simulation, state): - """Computes contact maps, md5 sum of positions, rmsd to the reference state and records them into `_adios_stream`""" - timer("reporting", 1) - step = self.step - stateA = simulation.context.getState(getPositions=True, getVelocities=True) - ca_indices = [] - natoms = 0 - for atom in simulation.topology.atoms(): - natoms += 1 - if atom.name == self.cfg.openmm_selection[0]: - ca_indices.append(atom.index) - - positions = state.getPositions(asNumpy=True).astype(np.float32) - - - if self.cfg.compute_zcentroid: - centroid = np.array(self.zcentroid(positions), dtype=np.float32) - print(f"centroid = {centroid}") - sys.stdout.flush() - - velocities = stateA.getVelocities(asNumpy=True) - - velocities = np.array( - [[x[0]._value, x[1]._value, x[2]._value] for x in velocities] - ).astype(np.float32) - - m = hashlib.sha512() - m.update(positions.tostring()) - md5 = m.hexdigest() - md5 = hash2intarray(md5) - - positions_ca = positions[ca_indices].astype(np.float32) - point_cloud = positions_ca.copy() - - d = positions_ca.shape[0] - if not (positions_ca.shape[0] % self.cfg.divisibleby == 0): - d = positions_ca.shape[0] // self.cfg.divisibleby * self.cfg.divisibleby - positions_ca = positions_ca[:d] - - print(f"len(ca_indices) = {len(ca_indices)}, d = {d}, natoms = {natoms}") - sys.stdout.flush() - - if self.cfg.model == "cvae": - contact_map = distances.contact_matrix( - positions_ca, cutoff=self.cfg.threshold, returntype="numpy", box=None - ).astype("uint8") - - step = np.array([step], dtype=np.int32) - gpstime = np.array([int(datetime.datetime.now().timestamp())], dtype=np.int32) - - output = { - "md5": md5, - "step": step, - "positions": positions, - "velocities": velocities, - "gpstime": gpstime, - } - - if self.cfg.model == "cvae": - output["contact_map"] = contact_map - elif self.cfg.model == "aae": - output["point_cloud"] = point_cloud - - if self.cfg.compute_zcentroid: - output["zcentroid"] = centroid - - if self.cfg.compute_rmsd: - reference_positions = self.rmsd_positions[:d].copy() - rmsd = rms.rmsd(positions_ca, reference_positions, superposition=True) - rmsd = np.array([rmsd], dtype=np.float32) - output["rmsd"] = rmsd - - if ( - hasattr(self.cfg, "multi_ligand_table") - and self.cfg.multi_ligand_table.is_file() - ): - output["ligand"] = np.array([self.cfg.ligand], dtype=np.int32) - output["natoms"] = np.array([natoms], dtype=np.int32) - - self.write_adios_step(output) - timer("reporting", -1) - self.step += 1 - - def write_adios_step(self, output: Dict[str, np.ndarray]): - """Write a step into `_adios_stream` - - Parameters - ---------- - output : Dict[str, np.ndarray] - key - adios column name to which to write a value of the dictionary - representing one step - - """ - - # Sending data via network to the aggregator - for k, v in output.items(): - if k == "gpstime": - continue - self._adios_stream.write( - k, v, list(v.shape), [0] * len(v.shape), list(v.shape) - ) - self._adios_stream.end_step() - - # Saving trajectories to BP file - for k, v in output.items(): - self._adios_file.write( - k, v, list(v.shape), [0] * len(v.shape), list(v.shape) - ) - self._adios_file.end_step() diff --git a/src/sim/openmm_stream/run_openmm.py b/src/sim/openmm_stream/run_openmm.py deleted file mode 100644 index 8221adf..0000000 --- a/src/sim/openmm_stream/run_openmm.py +++ /dev/null @@ -1,350 +0,0 @@ -import itertools -import os -import pickle -import random -import shutil -import subprocess -import sys -import time -from typing import Dict, Union - -import adios2 -import numpy as np -import pandas as pd -import openmm.unit as u -import openmm.app as app -from mdtools.openmm.sim import configure_simulation - -from deepdrivemd.sim.openmm.run_openmm import SimulationContext -from deepdrivemd.sim.openmm_stream.config import OpenMMConfig -from deepdrivemd.sim.openmm_stream.openmm_reporter import ContactMapReporter -from deepdrivemd.utils import Timer, parse_args - - -def configure_reporters( - sim: app.simulation.Simulation, - cfg: OpenMMConfig, - report_steps: int, - iteration: int = 0, -): - cfg.reporter = ContactMapReporter(report_steps, cfg) - sim.reporters.append(cfg.reporter) - -def next_outlier( - cfg: OpenMMConfig, sim: app.simulation.Simulation -) -> Dict[str, Union[int, float, str, np.ndarray]]: - """Get the next outlier to use as an initial state. - - Parameters - ---------- - cfg : OpenMMConfig - sim : app.simulation.Simulation - - Returns - ------- - Dict[str, Union[np.array, str, int, float, None]] - path to pdb file with positions, path to numpy file with velocities, rmsd, md5sum, etc. depending on configuration. - The key describes what is returned: "positions_pdb", "velocities_npy", "rmsd", "md5", "ligand". - - """ - - cfg.pickle_db = cfg.outliers_dir / "OutlierDB.pickle" - - if not os.path.exists(cfg.pickle_db): - return None - - while True: - try: - with open(cfg.pickle_db, "rb") as f: - db = pickle.load(f) - md5 = db.sorted_index[cfg.task_idx] - rmsd = db.dictionary[md5] - positions_pdb = cfg.outliers_dir / f"p_{md5}.npy" - velocities_npy = cfg.outliers_dir / f"v_{md5}.npy" - - shutil.copy(positions_pdb, cfg.current_dir) - shutil.copy(velocities_npy, cfg.current_dir) - shutil.copy(cfg.pickle_db, cfg.current_dir) - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - task = cfg.outliers_dir / f"{md5}.txt" - shutil.copy(task, cfg.current_dir) - copied_task = cfg.current_dir / f"{md5}.txt" - except Exception as e: - print("=" * 30) - print(e) - sleeptime = random.randint(3, 15) - print(f"Sleeping for {sleeptime} seconds") - print(subprocess.getstatusoutput(f"ls -l {cfg.outliers_dir}")[1]) - print(subprocess.getstatusoutput(f"md5sum {cfg.outliers_dir}/*")[1]) - print("=" * 30) - sys.stdout.flush() - time.sleep(sleeptime) - continue - break - - with open(cfg.current_dir / "rmsd.txt", "w") as f: - f.write(f"{rmsd}\n") - - positions_pdb = cfg.current_dir / f"p_{md5}.npy" - velocities_npy = cfg.current_dir / f"v_{md5}.npy" - - outputs = { - "positions_pdb": positions_pdb, - "velocities_npy": velocities_npy, - "rmsd": rmsd, - "md5": md5, - } - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - with open(copied_task) as f: - task_id = int(f.read()) - cfg.ligand = task_id - outputs["ligand"] = task_id - - return outputs - - -# TODO: flake8 says this function is too complex. Needs refactor. -def prepare_simulation( # noqa - cfg: OpenMMConfig, iteration: int, sim: app.simulation.Simulation -) -> bool: - """Replace positions and, with `cfg.copy_velocities_p` probability, velocities - of the current simulation state from an outlier - - Parameters - ---------- - cfg : OpenMMConfig - iteration : int - sim: app.simulation.Simulation - - Returns - ------- - bool - True if there is an outlier, False - otherwise - """ - sim_dir = cfg.output_path / str(iteration) - sim_dir.mkdir(exist_ok=True) - cfg.current_dir = sim_dir - print("In prepare_simulation cfg.current_dir = ", str(cfg.current_dir)) - - if sim is None: - outlier = None - else: - outlier = next_outlier(cfg, sim) - - if outlier is not None: - print("There are outliers") - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - positions_pdb, velocities_npy, ligand = ( - outlier["positions_pdb"], - outlier["velocities_npy"], - outlier["ligand"], - ) - print("ligand=", ligand) - init_multi_ligand(cfg, ligand) - else: - positions_pdb, velocities_npy = ( - outlier["positions_pdb"], - outlier["velocities_npy"], - ) - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - with Timer("molecular_dynamics_SimulationContext"): - print("cfg.pdb_file = ", cfg.pdb_file) - print("cfg.top_file1 = ", cfg.top_file1) - ctx = SimulationContext(cfg) - print("ctx = ", ctx) - print("dir(ctx) = ", dir(ctx)) - print("ctx.pdb_file = ", ctx.pdb_file) - print("ctx.top_file = ", ctx.top_file) - - while True: - try: - positions = np.load(str(positions_pdb)) - print("positions.shape = ", positions.shape) - print("positions = ", positions) - velocities = np.load(str(velocities_npy)) - break - except Exception as e: - print("Exception ", e) - print(f"Waiting for {positions_pdb} and {velocities_npy}") - time.sleep(5) - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - with Timer("molecular_dynamics_configure_simulation"): - print("positions_pdb = ", positions_pdb) - print("ctx.top_file = ", ctx.top_file) - try: - del sim - except Exception as e: - print(e) - - sim = configure_simulation( - pdb_file=ctx.pdb_file, - top_file=ctx.top_file, - solvent_type=cfg.solvent_type, - gpu_index=0, - dt_ps=cfg.dt_ps, - temperature_kelvin=cfg.temperature_kelvin, - heat_bath_friction_coef=cfg.heat_bath_friction_coef, - ) - else: - try: - sim.reporters.pop() - except Exception as e: - print(e) - - with Timer("molecular_dynamics_configure_reporters"): - configure_reporters(sim, cfg, cfg.report_steps, iteration) - - if random.random() < cfg.copy_velocities_p: - print("Copying velocities from outliers") - sim.context.setVelocities(velocities) - else: - print("Generating velocities randomly") - sim.context.setVelocitiesToTemperature( - cfg.temperature_kelvin * u.kelvin, random.randint(1, 10000) - ) - - return True, sim - else: - print("There are no outliers") - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - init_multi_ligand(cfg) - else: - init_input(cfg) - - with Timer("molecular_dynamics_SimulationContext"): - ctx = SimulationContext(cfg) - print("ctx = ", ctx) - print("dir(ctx) = ", dir(ctx)) - - with Timer("molecular_dynamics_configure_simulation"): - try: - del sim - except Exception as e: - print(e) - pass - - sim = configure_simulation( - pdb_file=ctx.pdb_file, - top_file=ctx.top_file, - solvent_type=cfg.solvent_type, - gpu_index=0, - dt_ps=cfg.dt_ps, - temperature_kelvin=cfg.temperature_kelvin, - heat_bath_friction_coef=cfg.heat_bath_friction_coef - # explicit_barostat="MonteCarloAnisotropicBarostat", ### ifs - ) - sim.context.setVelocitiesToTemperature( - cfg.temperature_kelvin * u.kelvin, random.randint(1, 10000) - ) - - with Timer("molecular_dynamics_configure_reporters"): - configure_reporters(sim, cfg, cfg.report_steps, iteration) - - return False, sim - - -def init_input(cfg: OpenMMConfig): - """The first iteration of the simulation is initialized from pdb - files in `cfg.initial_pdb_dir`. For the given simulation the pdb file is - selected using simulation `task_id` in a round robin fashion. - """ - pdb_files = list(cfg.initial_pdb_dir.glob("*.pdb")) + list( - cfg.initial_pdb_dir.glob("*/*.pdb") - ) - pdb_files.sort() - n = len(pdb_files) - i = int(cfg.task_idx) % n - cfg.pdb_file = pdb_files[i] - print(f"init_input: n = {n}, i = {i}, pdb_file = {cfg.pdb_file}") - - -def init_multi_ligand(cfg: OpenMMConfig, task_id=None): - if task_id is None: - task_id = cfg.task_idx - table = pd.read_csv(cfg.multi_ligand_table) - pdb = table["pdb"][task_id] - tdir = table["tdir"][task_id] - cfg.pdb_file = f"{tdir}/system/{pdb}" - cfg.initial_pdb_dir = tdir - print( - f"init_multi_ligand: id = {task_id}, pdb = {cfg.pdb_file}, tdir = {cfg.initial_pdb_dir}" - ) - cfg.ligand = task_id # cfg.task_idx - - -def run_simulation(cfg: OpenMMConfig): - - if hasattr(cfg, "multi_ligand_table") and cfg.multi_ligand_table.is_file(): - init_multi_ligand(cfg) - else: - init_input(cfg) - - # openmm typed variables - dt_ps = cfg.dt_ps * u.picoseconds - report_interval_ps = cfg.report_interval_ps * u.picoseconds - simulation_length_ns = cfg.simulation_length_ns * u.nanoseconds - - # Number of steps to run each simulation - nsteps = int(simulation_length_ns / dt_ps) - - report_steps = int(report_interval_ps / dt_ps) - cfg.report_steps = report_steps - print("report_steps = ", report_steps) - - _, sim = prepare_simulation(cfg, 0, None) - - # Infinite simulation loop - for iteration in itertools.count(0): - # Run simulation for nsteps - print(f"Simulation iteration {iteration}") - sys.stdout.flush() - - with Timer("molecular_dynamics_step"): - sim.step(nsteps) - - subprocess.getstatusoutput(f"touch {str(cfg.current_dir)}/done") - - _, sim = prepare_simulation(cfg, iteration + 1, sim) - - -def adios_configuration(cfg: OpenMMConfig): - """Read a template `adios.xml` file, replace `SimulationOutput` - stream name with the simulation directory and write the resulting - configuration file 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AgentTaskConfig(BaseTaskConfig):$/;" c -AggregationStageConfig config.py /^class AggregationStageConfig(BaseStageConfig):$/;" c -AggregationTaskConfig config.py /^class AggregationTaskConfig(BaseTaskConfig):$/;" c -Atoms sim/lammps/ase_lammps.py /^class Atoms:$/;" c -BaseSettings config.py /^class BaseSettings(_BaseSettings):$/;" c -BaseStageConfig config.py /^class BaseStageConfig(BaseSettings):$/;" c -BaseTaskConfig config.py /^class BaseTaskConfig(BaseSettings):$/;" c -BasicAggegation aggregation/basic/config.py /^class BasicAggegation(AggregationTaskConfig):$/;" c -CPUReqs config.py /^class CPUReqs(BaseSettings):$/;" c -CVAE models/keras_cvae/model.py /^class CVAE(object):$/;" c -CenterOfMassTransform models/aae_stream/utils.py /^class CenterOfMassTransform:$/;" c -Config config.py /^ class Config:$/;" c class:BaseTaskConfig -ContactMapReporter sim/openmm_stream/openmm_reporter.py /^class ContactMapReporter(object):$/;" c -DBSCAN agents/lof/lof.py /^ from cuml import DBSCAN as DBSCAN # type: ignore[import]$/;" Y function:run_dbscan file: nameref:unknown:DBSCAN -DBSCAN agents/stream/dbscan.py /^from cuml import DBSCAN as DBSCAN$/;" Y nameref:unknown:DBSCAN -DDMD NWchem_Adapt.py /^class DDMD(object):$/;" c -DDMD NWchem_T1.py /^class DDMD(object):$/;" c -DDMD NWchem_sync.py /^class DDMD(object):$/;" c -DDP models/aae/train.py /^from torch.nn.parallel import DistributedDataParallel as DDP # type: ignore[import]$/;" Y nameref:unknown:DistributedDataParallel -DataStructure data/stream/enumerations.py /^class DataStructure(Enum):$/;" c -DeePMD models/deepmd/README.md /^# DeePMD$/;" c -DeePMDInput models/deepmd/deepmd.py /^class DeePMDInput(BaseSettings):$/;" c -DeepDriveMD_API data/api.py /^class DeepDriveMD_API:$/;" c -DeepDriveMD_Analysis data/analysis.py /^class DeepDriveMD_Analysis:$/;" c -ExperimentConfig config.py /^class ExperimentConfig(BaseSettings):$/;" c -GPUReqs config.py /^class GPUReqs(BaseSettings):$/;" c -ITER_AB_INITIO NWchem_Adapt.py /^ ITER_AB_INITIO = 6$/;" v class:DDMD -ITER_AB_INITIO NWchem_T1.py /^ ITER_AB_INITIO = 6$/;" v class:DDMD -ITER_AB_INITIO NWchem_sync.py /^ ITER_AB_INITIO = 6$/;" v class:DDMD -ITER_DDMD NWchem_Adapt.py /^ ITER_DDMD = 6$/;" v class:DDMD -ITER_DDMD NWchem_T1.py /^ ITER_DDMD = 6$/;" v class:DDMD -ITER_DDMD NWchem_sync.py /^ ITER_DDMD = 6$/;" v class:DDMD -ITER_DDMD_1 NWchem_Adapt.py /^ ITER_DDMD_1 = int(math.floor(ITER_AB_INITIO \/ 2))$/;" v class:DDMD -ITER_DDMD_1 NWchem_T1.py /^ ITER_DDMD_1 = int(math.floor(ITER_AB_INITIO \/ 2))$/;" v class:DDMD -ITER_DDMD_1 NWchem_sync.py /^ ITER_DDMD_1 = int(math.floor(ITER_AB_INITIO \/ 2))$/;" v class:DDMD -ITER_DDMD_2 NWchem_Adapt.py /^ ITER_DDMD_2 = ITER_AB_INITIO$/;" v class:DDMD -ITER_DDMD_2 NWchem_T1.py /^ ITER_DDMD_2 = ITER_AB_INITIO$/;" v class:DDMD -ITER_DDMD_2 NWchem_sync.py /^ ITER_DDMD_2 = ITER_AB_INITIO$/;" v class:DDMD -K agents/stream/dbscan.py /^import tensorflow.keras.backend as K$/;" I nameref:module:tensorflow.keras.backend -K models/keras_cvae/model.py /^import tensorflow.keras.backend as K$/;" I nameref:module:tensorflow.keras.backend -KerasCVAEModelConfig models/keras_cvae/config.py /^class KerasCVAEModelConfig(MachineLearningTaskConfig):$/;" c -KerasCVAEModelConfig models/keras_cvae_stream/config.py /^class KerasCVAEModelConfig(MachineLearningTaskConfig):$/;" c -LAMMPSConfig sim/lammps/config.py /^class LAMMPSConfig(MolecularDynamicsTaskConfig):$/;" c -LatestCheckpointConfig selection/latest/config.py /^class LatestCheckpointConfig(ModelSelectionTaskConfig):$/;" c -LossHistory models/keras_cvae/model.py /^class LossHistory(Callback): # type: ignore[misc]$/;" c -MACHINE_LEARNING_DIR data/api.py /^ MACHINE_LEARNING_DIR = "machine_learning_runs"$/;" v class:DeepDriveMD_API -MACHINE_LEARNING_PIPELINE_NAME deepdrivemd_stream.py /^ MACHINE_LEARNING_PIPELINE_NAME = "MachineLearningPipeline"$/;" v class:PipelineManager -MACHINE_LEARNING_STAGE_NAME deepdrivemd.py /^ MACHINE_LEARNING_STAGE_NAME = "MachineLearning"$/;" v class:PipelineManager -MACHINE_LEARNING_STAGE_NAME deepdrivemd_stream.py /^ MACHINE_LEARNING_STAGE_NAME = "MachineLearning"$/;" v class:PipelineManager -MDSolvent sim/lammps/config.py /^ class MDSolvent(str, Enum):$/;" c class:LAMMPSConfig -MDSolvent sim/nwchem/config.py /^ class MDSolvent(str, Enum):$/;" c class:NWChemConfig -MDSolvent sim/openmm/config.py /^ class MDSolvent(str, Enum):$/;" c class:OpenMMConfig -MDSolvent sim/openmm_stream/config.py /^ class MDSolvent(str, Enum):$/;" c class:OpenMMConfig -MODEL_SELECTION_DIR data/api.py /^ MODEL_SELECTION_DIR = "model_selection_runs"$/;" v class:DeepDriveMD_API -MODEL_SELECTION_STAGE_NAME deepdrivemd.py /^ MODEL_SELECTION_STAGE_NAME = "ModelSelection"$/;" v class:PipelineManager -MOLECULAR_DYNAMICS_DIR data/api.py /^ MOLECULAR_DYNAMICS_DIR = "molecular_dynamics_runs"$/;" v class:DeepDriveMD_API -MOLECULAR_DYNAMICS_PIPELINE_NAME deepdrivemd_stream.py /^ MOLECULAR_DYNAMICS_PIPELINE_NAME = "MolecularDynamicsPipeline"$/;" v class:PipelineManager -MOLECULAR_DYNAMICS_STAGE_NAME deepdrivemd.py /^ MOLECULAR_DYNAMICS_STAGE_NAME = "MolecularDynamics"$/;" v class:PipelineManager -MOLECULAR_DYNAMICS_STAGE_NAME deepdrivemd_stream.py /^ MOLECULAR_DYNAMICS_STAGE_NAME = "MolecularDynamics"$/;" v class:PipelineManager -MachineLearningStageConfig config.py /^class MachineLearningStageConfig(BaseStageConfig):$/;" c -MachineLearningTaskConfig config.py /^class MachineLearningTaskConfig(BaseTaskConfig):$/;" c -ModelSelectionStageConfig config.py /^class ModelSelectionStageConfig(BaseStageConfig):$/;" c -ModelSelectionTaskConfig config.py /^class ModelSelectionTaskConfig(BaseTaskConfig):$/;" c -MolecularDynamicsStageConfig config.py /^class MolecularDynamicsStageConfig(BaseStageConfig):$/;" c -MolecularDynamicsTaskConfig config.py /^class MolecularDynamicsTaskConfig(BaseTaskConfig):$/;" c -NWChemConfig sim/nwchem/config.py /^class NWChemConfig(MolecularDynamicsTaskConfig):$/;" c -OpenMMConfig sim/openmm/config.py /^class OpenMMConfig(MolecularDynamicsTaskConfig):$/;" c -OpenMMConfig sim/openmm_stream/config.py /^class OpenMMConfig(MolecularDynamicsTaskConfig):$/;" c -OutlierDB data/stream/OutlierDB.py /^class OutlierDB:$/;" c -OutlierDetectionConfig agents/lof/config.py /^class OutlierDetectionConfig(AgentTaskConfig):$/;" c -OutlierDetectionConfig agents/stream/config.py /^class OutlierDetectionConfig(AgentTaskConfig):$/;" c -PIPELINE_NAME deepdrivemd.py /^ PIPELINE_NAME = "DeepDriveMD"$/;" v class:PipelineManager -PathLike utils.py /^PathLike = Union[str, Path]$/;" v -PipelineManager deepdrivemd.py /^class PipelineManager:$/;" c -PipelineManager deepdrivemd_stream.py /^class PipelineManager:$/;" c -Point3dAAEConfig models/aae_stream/config.py /^class Point3dAAEConfig(BaseSettings):$/;" c -PointCloudDatasetInMemory models/aae_stream/utils.py /^class PointCloudDatasetInMemory(Dataset):$/;" c -Pool agents/stream/dbscan.py /^from pathos.multiprocessing import ProcessingPool as Pool$/;" Y nameref:unknown:ProcessingPool -Simulation sim/lammps/ase_lammps.py /^class Simulation:$/;" c -Simulation sim/nwchem/run_nwchem.py /^class Simulation:$/;" c -SimulationContext sim/nwchem/run_nwchem.py /^class SimulationContext:$/;" c -SimulationContext sim/openmm/run_openmm.py /^class SimulationContext:$/;" c -Stage_API data/api.py /^class Stage_API:$/;" c -StreamAggregation aggregation/stream/config.py /^class StreamAggregation(AggregationTaskConfig):$/;" c -StreamContactMapVariable data/stream/aggregator_reader.py /^class StreamContactMapVariable(StreamVariable):$/;" c -StreamScalarVariable data/stream/aggregator_reader.py /^class StreamScalarVariable(StreamVariable):$/;" c -StreamVariable data/stream/aggregator_reader.py /^class StreamVariable:$/;" c -StreamingAgentStageConfig config.py /^class StreamingAgentStageConfig(AgentStageConfig):$/;" c -StreamingAggregationStageConfig config.py /^class StreamingAggregationStageConfig(AggregationStageConfig):$/;" c -StreamingExperimentConfig config.py /^class StreamingExperimentConfig(ExperimentConfig):$/;" c -StreamingMachineLearningStageConfig config.py /^class StreamingMachineLearningStageConfig(MachineLearningStageConfig):$/;" c -Streams data/stream/aggregator_reader.py /^class Streams:$/;" c -TASK_AGENT NWchem_Adapt.py /^ TASK_AGENT = 'task_agent' # DDMD$/;" v class:DDMD -TASK_AGENT NWchem_T1.py /^ TASK_AGENT = 'task_agent' # DDMD$/;" v class:DDMD -TASK_DDMD_AGENT NWchem_sync.py /^ TASK_DDMD_AGENT = 'task_ddmd_agent' # DDMD Agent$/;" v class:DDMD -TASK_DDMD_MD NWchem_sync.py /^ TASK_DDMD_MD = 'task_ddmd_md' # DDMD MD-Simulation$/;" v class:DDMD -TASK_DDMD_SELECTION NWchem_sync.py /^ TASK_DDMD_SELECTION = 'task_ddmd_selection' # DDMD Selection$/;" v class:DDMD -TASK_DDMD_TRAIN NWchem_sync.py /^ TASK_DDMD_TRAIN = 'task_ddmd_train' # DDMD Training$/;" v class:DDMD -TASK_DFT NWchem_Adapt.py /^ TASK_DFT = 'task_dft' # Ab-inito$/;" v class:DDMD -TASK_DFT NWchem_T1.py /^ TASK_DFT = 'task_dft' # Ab-inito$/;" v class:DDMD -TASK_DFT1 NWchem_sync.py /^ TASK_DFT1 = 'task_dft1' # Ab-inito DFT prep$/;" v class:DDMD -TASK_DFT2 NWchem_sync.py /^ TASK_DFT2 = 'task_dft' # Ab-inito DFT calculation$/;" v class:DDMD -TASK_DFT3 NWchem_sync.py /^ TASK_DFT3 = 'task_dft' # Ab-inito DFT finalize$/;" v class:DDMD -TASK_MD NWchem_sync.py /^ TASK_MD = 'task_md' # AB-initio MD-simulation$/;" v class:DDMD -TASK_MD_AI NWchem_Adapt.py /^ TASK_MD_AI = 'task_md_ai' # AB-initio MD$/;" v class:DDMD -TASK_MD_AI NWchem_T1.py /^ TASK_MD_AI = 'task_md_ai' # AB-initio MD$/;" v class:DDMD -TASK_MD_DDMD NWchem_Adapt.py /^ TASK_MD_DDMD = 'task_md_ddmd' # DDMD$/;" v class:DDMD -TASK_MD_DDMD NWchem_T1.py /^ TASK_MD_DDMD = 'task_md_ddmd' # DDMD$/;" v class:DDMD -TASK_SELECT NWchem_Adapt.py /^ TASK_SELECT = 'task_select' # DDMD$/;" v class:DDMD -TASK_SELECT NWchem_T1.py /^ TASK_SELECT = 'task_select' # DDMD$/;" v class:DDMD -TASK_TRAIN_FF NWchem_Adapt.py /^ TASK_TRAIN_FF = 'task_train_ff' # AB-initio$/;" v class:DDMD -TASK_TRAIN_FF NWchem_T1.py /^ TASK_TRAIN_FF = 'task_train_ff' # AB-initio$/;" v class:DDMD -TASK_TRAIN_FF NWchem_sync.py /^ TASK_TRAIN_FF = 'task_train_ff' # AB-initio-FF-training$/;" v class:DDMD -TASK_TRAIN_MODEL NWchem_Adapt.py /^ TASK_TRAIN_MODEL = 'task_train_model' # DDMD$/;" v class:DDMD -TASK_TRAIN_MODEL NWchem_T1.py /^ TASK_TRAIN_MODEL = 'task_train_model' # DDMD$/;" v class:DDMD -TASK_TYPES NWchem_Adapt.py /^ TASK_TYPES = [TASK_TRAIN_MODEL,$/;" v class:DDMD -TASK_TYPES NWchem_T1.py /^ TASK_TYPES = [TASK_TRAIN_MODEL,$/;" v class:DDMD -TASK_TYPES NWchem_sync.py /^ TASK_TYPES = [TASK_TRAIN_FF,$/;" v class:DDMD -Timer utils.py /^class Timer:$/;" c -_BaseSettings config.py /^from pydantic import BaseSettings as _BaseSettings, validator$/;" Y nameref:unknown:BaseSettings -_T config.py /^_T = TypeVar("_T")$/;" v -__del__ NWchem_Adapt.py /^ def __del__(self):$/;" f -__del__ NWchem_T1.py /^ def __del__(self):$/;" f -__del__ NWchem_sync.py /^ def __del__(self):$/;" f -__del__ data/stream/aggregator_reader.py /^ def __del__(self):$/;" m class:AdiosReader -__del__ sim/openmm_stream/openmm_reporter.py /^ def __del__(self):$/;" m class:ContactMapReporter -__enter__ utils.py /^ def __enter__(self) -> "Timer":$/;" m class:Timer typeref:typename:"Timer" -__exit__ utils.py /^ def __exit__($/;" m class:Timer typeref:typename:None -__getitem__ models/aae_stream/utils.py /^ def __getitem__(self, idx: int) -> Dict[str, torch.Tensor]:$/;" m class:PointCloudDatasetInMemory typeref:typename:Dict[str,torch.Tensor] -__init__ NWchem_Adapt.py /^ def __init__(self):$/;" m class:DDMD -__init__ NWchem_T1.py /^ def __init__(self):$/;" m class:DDMD -__init__ NWchem_sync.py /^ def __init__(self):$/;" m class:DDMD -__init__ data/analysis.py /^ def __init__(self, experiment_directory: PathLike):$/;" m class:DeepDriveMD_Analysis -__init__ data/api.py /^ def __init__(self, experiment_dir: Path, stage_dir_name: str):$/;" m class:Stage_API -__init__ data/api.py /^ def __init__(self, experiment_directory: PathLike):$/;" m class:DeepDriveMD_API -__init__ data/stream/OutlierDB.py /^ def __init__(self, dir: str, restarts: List[Tuple[float, str]]):$/;" m class:OutlierDB -__init__ data/stream/adios_utils.py /^ def __init__($/;" m class:AdiosStreamStepRW -__init__ data/stream/aggregator_reader.py /^ def __init__($/;" m class:AdiosReader -__init__ data/stream/aggregator_reader.py /^ def __init__($/;" m class:Streams -__init__ data/stream/aggregator_reader.py /^ def __init__(self, name: str, dtype: type, structure: DataStructure):$/;" m class:StreamVariable -__init__ deepdrivemd.py /^ def __init__(self, cfg: ExperimentConfig):$/;" m class:PipelineManager -__init__ deepdrivemd_stream.py /^ def __init__(self, cfg: StreamingExperimentConfig):$/;" m class:PipelineManager -__init__ models/aae_stream/utils.py /^ def __init__($/;" m class:PointCloudDatasetInMemory -__init__ models/aae_stream/utils.py /^ def __init__(self, data: np.ndarray) -> None:$/;" m class:CenterOfMassTransform typeref:typename:None -__init__ models/keras_cvae/model.py /^ def __init__( # noqa$/;" m class:CVAE -__init__ sim/lammps/ase_lammps.py /^ def __init__(self, trj_file: PathLike, pdb_orig: PathLike):$/;" m class:lammps_txt_trajectory -__init__ sim/lammps/ase_lammps.py /^ def __init__(self,atom_lst: List):$/;" m class:Atoms -__init__ sim/lammps/ase_lammps.py /^ def __init__(self,pdb_file):$/;" m class:Simulation -__init__ sim/nwchem/ase_nwchem.py /^ def __init__(self,splits: List[float]=None):$/;" m class:split_tvt -__init__ sim/nwchem/run_nwchem.py /^ def __init__(self, cfg: NWChemConfig):$/;" m class:SimulationContext -__init__ sim/nwchem/run_nwchem.py /^ def __init__(self,pdb_file):$/;" m class:Simulation -__init__ sim/openmm/run_openmm.py /^ def __init__(self, cfg: OpenMMConfig):$/;" m class:SimulationContext -__init__ sim/openmm_stream/openmm_reporter.py /^ def __init__(self, reportInterval, cfg):$/;" m class:ContactMapReporter -__init__ utils.py /^ def __init__(self, label: str):$/;" m class:Timer -__len__ models/aae_stream/utils.py /^ def __len__(self) -> int:$/;" m class:PointCloudDatasetInMemory typeref:typename:int -__version__ __init__.py /^__version__ = "0.0.2"$/;" v -_ab_initio NWchem_Adapt.py /^ def _ab_initio(self, ttype, series):$/;" f -_ab_initio NWchem_T1.py /^ def _ab_initio(self, ttype, series):$/;" f -_cancel_tasks NWchem_Adapt.py /^ def _cancel_tasks(self, uids):$/;" f -_cancel_tasks NWchem_T1.py /^ def _cancel_tasks(self, uids):$/;" f -_cancel_tasks NWchem_sync.py /^ def _cancel_tasks(self, uids):$/;" f -_checked_state_cb NWchem_Adapt.py /^ def _checked_state_cb(self, task, state):$/;" f -_checked_state_cb NWchem_T1.py /^ def _checked_state_cb(self, task, state):$/;" f -_checked_state_cb NWchem_sync.py /^ def _checked_state_cb(self, task, state):$/;" f -_control_agent NWchem_Adapt.py /^ def _control_agent(self, task):$/;" f -_control_agent NWchem_T1.py /^ def _control_agent(self, task):$/;" f -_control_ddmd NWchem_sync.py /^ def _control_ddmd(self, task):$/;" f -_control_dft1 NWchem_Adapt.py /^ def _control_dft1(self, task):$/;" f -_control_dft1 NWchem_T1.py /^ def _control_dft1(self, task):$/;" f -_control_dft1 NWchem_sync.py /^ def _control_dft1(self, task):$/;" f -_control_dft2 NWchem_Adapt.py /^ def _control_dft2(self, task):$/;" f -_control_dft2 NWchem_T1.py /^ def _control_dft2(self, task):$/;" f -_control_dft2 NWchem_sync.py /^ def _control_dft2(self, task):$/;" f -_control_dft3 NWchem_Adapt.py /^ def _control_dft3(self, task):$/;" f -_control_dft3 NWchem_T1.py /^ def _control_dft3(self, task):$/;" f -_control_dft3 NWchem_sync.py /^ def _control_dft3(self, task):$/;" f -_control_md NWchem_sync.py /^ def _control_md(self, task):$/;" f -_control_md_ai NWchem_Adapt.py /^ def _control_md_ai(self, task):$/;" f -_control_md_ai NWchem_T1.py /^ def _control_md_ai(self, task):$/;" f -_control_md_ddmd NWchem_Adapt.py /^ def _control_md_ddmd(self, task):$/;" f -_control_md_ddmd NWchem_T1.py /^ def _control_md_ddmd(self, task):$/;" f -_control_select NWchem_Adapt.py /^ def _control_select(self, task):$/;" f -_control_select NWchem_T1.py /^ def _control_select(self, task):$/;" f -_control_train_ff NWchem_Adapt.py /^ def _control_train_ff(self, task):$/;" f -_control_train_ff NWchem_T1.py /^ def _control_train_ff(self, task):$/;" f -_control_train_ff NWchem_sync.py /^ def _control_train_ff(self, task):$/;" f -_control_train_model NWchem_Adapt.py /^ def _control_train_model(self, task):$/;" f -_control_train_model NWchem_T1.py /^ def _control_train_model(self, task):$/;" f -_copy_pdb_file sim/nwchem/run_nwchem.py /^ def _copy_pdb_file(self) -> Path:$/;" m class:SimulationContext typeref:typename:Path -_copy_pdb_file sim/openmm/run_openmm.py /^ def _copy_pdb_file(self) -> Path:$/;" m class:SimulationContext typeref:typename:Path -_copy_rst_file sim/nwchem/run_nwchem.py /^ def _copy_rst_file(self) -> Path:$/;" m class:SimulationContext typeref:typename:Path -_copy_top_file sim/nwchem/run_nwchem.py /^ def _copy_top_file(self) -> Path:$/;" m class:SimulationContext typeref:typename:Path -_copy_top_file sim/openmm/run_openmm.py /^ def _copy_top_file(self) -> Path:$/;" m class:SimulationContext typeref:typename:Path -_generate_pipeline_iteration deepdrivemd.py /^ def _generate_pipeline_iteration(self) -> None:$/;" m class:PipelineManager typeref:typename:None -_generate_pipeline_iteration deepdrivemd_stream.py /^ def _generate_pipeline_iteration(self):$/;" m class:PipelineManager -_get_pdb_file sim/nwchem/run_nwchem.py /^ def _get_pdb_file(self) -> Path:$/;" m class:SimulationContext typeref:typename:Path -_get_pdb_file sim/openmm/run_openmm.py /^ def _get_pdb_file(self) -> Path:$/;" m class:SimulationContext typeref:typename:Path -_get_series NWchem_Adapt.py /^ def _get_series(self, task=None, uid=None):$/;" f -_get_series NWchem_T1.py /^ def _get_series(self, task=None, uid=None):$/;" f -_get_series NWchem_sync.py /^ def _get_series(self, task=None, uid=None):$/;" f -_get_ttype NWchem_Adapt.py /^ def _get_ttype(self, uid):$/;" f -_get_ttype NWchem_T1.py /^ def _get_ttype(self, uid):$/;" f -_get_ttype NWchem_sync.py /^ def _get_ttype(self, uid):$/;" f -_global_chemical_symbols sim/nwchem/ase_nwchem.py /^def _global_chemical_symbols(mols: List[PathLike]) -> List[str]:$/;" f typeref:typename:List[str] -_harmonize_atom_types sim/nwchem/ase_nwchem.py /^def _harmonize_atom_types() -> None:$/;" f typeref:typename:None -_init_experiment_dir deepdrivemd.py /^ def _init_experiment_dir(self) -> None:$/;" m class:PipelineManager typeref:typename:None -_init_experiment_dir deepdrivemd_stream.py /^ def _init_experiment_dir(self):$/;" m class:PipelineManager -_init_workdir sim/nwchem/run_nwchem.py /^ def _init_workdir(self) -> None:$/;" m class:SimulationContext typeref:typename:None -_init_workdir sim/openmm/run_openmm.py /^ def _init_workdir(self) -> None:$/;" m class:SimulationContext typeref:typename:None -_list_max models/deepmd/deepmd.py /^def _list_max(l1: List[int], l2: List[int]) -> List[int]:$/;" f typeref:typename:List[int] -_make_atom_list sim/nwchem/ase_nwchem.py /^def _make_atom_list(symbols: List[str],atomicnos: List[int]) -> List[Tuple[int,str,int]]:$/;" f typeref:typename:List[Tuple[int,str,int]] -_make_molecule_name sim/nwchem/ase_nwchem.py /^def _make_molecule_name(tuples: List[Tuple[int,str,int]]) -> str:$/;" f typeref:typename:str -_merge_type_maps models/deepmd/deepmd.py /^def _merge_type_maps(val_path: List[Path], trn_path: List[Path]) -> List[str]:$/;" f typeref:typename:List[str] -_register_task NWchem_Adapt.py /^ def _register_task(self, task, series: int):$/;" f -_register_task NWchem_T1.py /^ def _register_task(self, task, series: int):$/;" f -_register_task NWchem_sync.py /^ def _register_task(self, task, series: int):$/;" f -_remap_types sim/nwchem/ase_nwchem.py /^def _remap_types(mols: List[PathLike], global_sym: List[str]) -> None:$/;" f typeref:typename:None -_sampling models/keras_cvae/model.py /^ def _sampling($/;" m class:CVAE typeref:typename:"npt.ArrayLike" -_sim_prefix sim/nwchem/run_nwchem.py /^ def _sim_prefix(self) -> Path:$/;" m class:SimulationContext typeref:typename:Path -_sim_prefix sim/openmm/run_openmm.py /^ def _sim_prefix(self) -> Path:$/;" m class:SimulationContext typeref:typename:Path -_sort_uniq sim/lammps/ase_lammps.py /^def _sort_uniq(sequence):$/;" f -_stage_api data/api.py /^ def _stage_api(self, dirname: str) -> Stage_API:$/;" m class:DeepDriveMD_API typeref:typename:Stage_API -_state_cb NWchem_Adapt.py /^ def _state_cb(self, task, state):$/;" f -_state_cb NWchem_T1.py /^ def _state_cb(self, task, state):$/;" f -_state_cb NWchem_sync.py /^ def _state_cb(self, task, state):$/;" f -_submit_task NWchem_Adapt.py /^ def _submit_task(self, ttype, args=None, n=1, cpu=1, gpu=0, series: int=1, argvals=''):$/;" f -_submit_task NWchem_T1.py /^ def _submit_task(self, ttype, args=None, n=1, cpu=1, gpu=0, series: int=1, argvals=''):$/;" f -_submit_task NWchem_sync.py /^ def _submit_task(self, ttype, args=None, n=1, cpu=1, gpu=0, series: int=1, argvals=''):$/;" f -_task_file_path data/api.py /^ def _task_file_path($/;" m class:Stage_API typeref:typename:Optional[Path] -_unregister_task NWchem_Adapt.py /^ def _unregister_task(self, task):$/;" f -_unregister_task NWchem_T1.py /^ def _unregister_task(self, task):$/;" f -_unregister_task NWchem_sync.py /^ def _unregister_task(self, task):$/;" f -_vae_loss models/keras_cvae/model.py /^ def _vae_loss(self, input, output):$/;" m class:CVAE -_write_atmxyz sim/nwchem/ase_nwchem.py /^def _write_atmxyz(fp: PathLike, xyz: List[List[float]], atmtuples: List[Tuple[int,str,int]], con/;" f typeref:typename:None -_write_box sim/nwchem/ase_nwchem.py /^def _write_box(fp,box=None) -> None:$/;" f typeref:typename:None -_write_energy sim/nwchem/ase_nwchem.py /^def _write_energy(fp: PathLike, energy: float) -> None:$/;" f typeref:typename:None -_write_type sim/nwchem/ase_nwchem.py /^def _write_type(fp: PathLike, tuples: List[Tuple[int,str,int]]) -> None:$/;" f typeref:typename:None -_write_type_map sim/nwchem/ase_nwchem.py /^def _write_type_map(fp: PathLike, tuples: List[Tuple[int,str,int]]) -> None:$/;" f typeref:typename:None -adios_cfg sim/openmm_stream/config.py /^ adios_cfg: Path = "adios.xml"$/;" v class:OpenMMConfig typeref:typename:Path -adios_configuration sim/openmm_stream/run_openmm.py /^def adios_configuration(cfg: OpenMMConfig):$/;" f -adios_xml_agg agents/stream/config.py /^ adios_xml_agg: Path = ""$/;" v class:OutlierDetectionConfig typeref:typename:Path -adios_xml_agg aggregation/stream/config.py /^ adios_xml_agg: Path = Path()$/;" v class:StreamAggregation typeref:typename:Path -adios_xml_file sim/openmm_stream/config.py /^ adios_xml_file: Path = Path()$/;" v class:OpenMMConfig typeref:typename:Path -adios_xml_sim sim/openmm_stream/config.py /^ adios_xml_sim: Path = "adios.xml"$/;" v class:OpenMMConfig typeref:typename:Path -ae_optimizer models/aae_stream/config.py /^ ae_optimizer: OptimizerConfig = OptimizerConfig(name="Adam", hparams={"learning_rate": 0.000/;" v class:Point3dAAEConfig typeref:typename:OptimizerConfig -agg_dir agents/stream/config.py /^ agg_dir: Path = Path()$/;" v class:OutlierDetectionConfig typeref:typename:Path -agg_dir models/aae_stream/config.py /^ agg_dir: Path = Path()$/;" v class:Point3dAAEConfig typeref:typename:Path -agg_dir models/keras_cvae_stream/config.py /^ agg_dir: Path = Path()$/;" v class:KerasCVAEModelConfig typeref:typename:Path -aggregate aggregation/stream/aggregator.py /^def aggregate($/;" f -aggregator_stream aggregation/stream/aggregator.py /^ aggregator_stream = adios2.open($/;" v -aggregator_stream_4ml aggregation/stream/aggregator.py /^ aggregator_stream_4ml = adios2.open($/;" v -app sim/nwchem/run_nwchem.py /^import openmm.app as app # type: ignore[import]$/;" I nameref:module:openmm.app -app sim/openmm/run_openmm.py /^import openmm.app as app # type: ignore[import]$/;" I nameref:module:openmm.app -app sim/openmm_stream/run_openmm.py /^import openmm.app as app$/;" I nameref:module:openmm.app -apply_analysis_fn data/analysis.py /^ def apply_analysis_fn($/;" m class:DeepDriveMD_Analysis typeref:typename:List[Any] -appman deepdrivemd.py /^ appman = AppManager($/;" v -appman deepdrivemd_stream.py /^ appman = AppManager($/;" v -args NWchem_Adapt.py /^ args = ['{}\/Executables\/agent.py'.format(self.args.work_dir),$/;" v -args NWchem_Adapt.py /^ args = ['{}\/Executables\/selection.py'.format(self.args.work_dir),$/;" v -args NWchem_Adapt.py /^ args = ['{}\/Executables\/training.py'.format(self.args.work_dir),$/;" v -args NWchem_T1.py /^ args = ['{}\/Executables\/agent.py'.format(self.args.work_dir),$/;" v -args NWchem_T1.py /^ args = ['{}\/Executables\/selection.py'.format(self.args.work_dir),$/;" v -args NWchem_T1.py /^ args = ['{}\/Executables\/training.py'.format(self.args.work_dir),$/;" v -args NWchem_sync.py /^ args = ['{}\/Executables\/training.py'.format(self.args.work_dir),$/;" v -args agents/lof/lof.py /^ args = parse_args()$/;" v -args agents/stream/dbscan.py /^ args = parse_args()$/;" v -args aggregation/basic/aggregate.py /^ args = parse_args()$/;" v -args aggregation/stream/aggregator.py /^ args = parse_args()$/;" v -args deepdrivemd.py /^ args = parse_args()$/;" v -args deepdrivemd_stream.py /^ args = parse_args()$/;" v -args models/aae/train.py /^ args = parse_args()$/;" v -args models/aae_stream/train.py /^ args = parse_args()$/;" v -args models/keras_cvae/train.py /^ args = parse_args()$/;" v -args models/keras_cvae_stream/train.py /^ args = parse_args()$/;" v -args selection/latest/select_model.py /^ args = parse_args()$/;" v -args sim/nwchem/run_nwchem.py /^ args = parse_args()$/;" v -args sim/openmm/run_openmm.py /^ args = parse_args()$/;" v -args sim/openmm_stream/run_openmm.py /^ args = parse_args()$/;" v -arguments config.py /^ arguments: List[str] = []$/;" v class:BaseStageConfig typeref:typename:List[str] -array data/stream/enumerations.py /^ array = auto()$/;" v class:DataStructure -atoms sim/lammps/ase_lammps.py /^ def atoms(self):$/;" m class:Atoms -avail_cores NWchem_Adapt.py /^ avail_cores = 0$/;" v class:DDMD -avail_cores NWchem_T1.py /^ avail_cores = 0$/;" v class:DDMD -avail_cores NWchem_sync.py /^ avail_cores = 0$/;" v class:DDMD -avail_gpus NWchem_Adapt.py /^ avail_gpus = 0$/;" v class:DDMD -avail_gpus NWchem_T1.py /^ avail_gpus = 0$/;" v class:DDMD -avail_gpus NWchem_sync.py /^ avail_gpus = 0$/;" v class:DDMD -batch_size models/aae/config.py /^ batch_size: int = 32$/;" v class:AAEModelConfig typeref:typename:int -batch_size models/aae_stream/config.py /^ batch_size: int = 32$/;" v class:Point3dAAEConfig typeref:typename:int -batch_size models/keras_cvae/config.py /^ batch_size: int = 32$/;" v class:KerasCVAEModelConfig typeref:typename:int -batch_size models/keras_cvae_stream/config.py /^ batch_size: int = 32$/;" v class:KerasCVAEModelConfig typeref:typename:int -best_model agents/stream/config.py /^ best_model: Path = Path()$/;" v class:OutlierDetectionConfig typeref:typename:Path -bestk utils.py /^def bestk($/;" f typeref:typename:Tuple["npt.ArrayLike","npt.ArrayLike"] -bp_file sim/openmm_stream/config.py /^ bp_file: Path = "md.bp"$/;" v class:OpenMMConfig typeref:typename:Path -bpaggregator aggregation/stream/aggregator.py /^ bpaggregator = str(cfg.output_path \/ "agg.bp")$/;" v -bpaggregator_4ml aggregation/stream/aggregator.py /^ bpaggregator_4ml = str(cfg.output_path \/ "agg_4ml.bp")$/;" v -bpfiles aggregation/stream/aggregator.py /^ bpfiles = find_input(cfg)$/;" v -build_model agents/stream/dbscan.py /^def build_model(cfg: OutlierDetectionConfig, model_path: str):$/;" f -build_model models/aae_stream/train.py /^def build_model(cfg: Point3dAAEConfig):$/;" f -build_model models/keras_cvae_stream/train.py /^def build_model(cfg: KerasCVAEModelConfig):$/;" f -cfg agents/lof/lof.py /^ cfg = OutlierDetectionConfig.from_yaml(args.config)$/;" v -cfg agents/stream/dbscan.py /^ cfg = OutlierDetectionConfig.from_yaml(args.config)$/;" v -cfg aggregation/basic/aggregate.py /^ cfg = BasicAggegation.from_yaml(args.config)$/;" v -cfg aggregation/stream/aggregator.py /^ cfg = StreamAggregation.from_yaml(args.config)$/;" v -cfg deepdrivemd.py /^ cfg = ExperimentConfig.from_yaml(args.config)$/;" v -cfg deepdrivemd_stream.py /^ cfg = StreamingExperimentConfig.from_yaml(args.config)$/;" v -cfg models/aae/train.py /^ cfg = AAEModelConfig.from_yaml(args.config)$/;" v -cfg models/aae_stream/train.py /^ cfg = Point3dAAEConfig.from_yaml(args.config)$/;" v -cfg models/keras_cvae/train.py /^ cfg = KerasCVAEModelConfig.from_yaml(args.config)$/;" v -cfg models/keras_cvae_stream/train.py /^ cfg = KerasCVAEModelConfig.from_yaml(args.config)$/;" v -cfg selection/latest/select_model.py /^ cfg = LatestCheckpointConfig.from_yaml(args.config)$/;" v -cfg sim/nwchem/run_nwchem.py /^ cfg = NWChemConfig.from_yaml(args.config)$/;" v -cfg sim/openmm/run_openmm.py /^ cfg = OpenMMConfig.from_yaml(args.config)$/;" v -cfg sim/openmm_stream/run_openmm.py /^ cfg = OpenMMConfig.from_yaml(args.config)$/;" v -check_output agents/stream/dbscan.py /^def check_output(dir):$/;" f -checkpoint_dir selection/latest/config.py /^ checkpoint_dir: str = "checkpoint"$/;" v class:LatestCheckpointConfig typeref:typename:str -checkpoint_suffix selection/latest/config.py /^ checkpoint_suffix: str = ".pt"$/;" v class:LatestCheckpointConfig typeref:typename:str -ckpt models/deepmd/deepmd_test.py /^ckpt = Path("model.ckpt")$/;" v -ckpt models/deepmd/main_deepmd.py /^ckpt = Path("model.ckpt")$/;" v -clean_pdb sim/nwchem/ase_nwchem.py /^def clean_pdb(pdb: PathLike,tmp: PathLike) -> None:$/;" f typeref:typename:None -clear_gpu agents/stream/dbscan.py /^def clear_gpu():$/;" f -close NWchem_Adapt.py /^ def close(self):$/;" f -close NWchem_T1.py /^ def close(self):$/;" f -close NWchem_sync.py /^ def close(self):$/;" f -cluster agents/stream/dbscan.py /^def cluster($/;" f typeref:typename:Tuple[float,int] -cms_transform models/aae_stream/config.py /^ cms_transform: bool = True$/;" v class:Point3dAAEConfig typeref:typename:bool -compute_number_of_nodes deepdrivemd_stream.py /^def compute_number_of_nodes(cfg: StreamingExperimentConfig) -> int:$/;" f typeref:typename:int -compute_rmsd agents/stream/config.py /^ compute_rmsd: bool = True$/;" v class:OutlierDetectionConfig typeref:typename:bool -compute_rmsd aggregation/stream/config.py /^ compute_rmsd: bool = True$/;" v class:StreamAggregation typeref:typename:bool -compute_rmsd sim/openmm_stream/config.py /^ compute_rmsd: bool = True$/;" v class:OpenMMConfig typeref:typename:bool -compute_zcentroid agents/stream/config.py /^ compute_zcentroid: bool = False$/;" v class:OutlierDetectionConfig typeref:typename:bool -compute_zcentroid aggregation/stream/config.py /^ compute_zcentroid: bool = False$/;" v class:StreamAggregation typeref:typename:bool -compute_zcentroid sim/openmm_stream/config.py /^ compute_zcentroid: bool = False$/;" v class:OpenMMConfig typeref:typename:bool -concat_shape data/utils.py /^ def concat_shape(shape: Tuple[int]) -> Tuple[int]:$/;" f function:concatenate_virtual_h5 typeref:typename:Tuple[int] file: -concatenate_last_n_h5 aggregation/basic/aggregate.py /^def concatenate_last_n_h5(cfg: BasicAggegation) -> None: # noqa$/;" f typeref:typename:None -concatenate_virtual_h5 data/utils.py /^def concatenate_virtual_h5($/;" f typeref:typename:None -config config.py /^ config = generate_sample_config()$/;" v -config_path data/api.py /^ def config_path(self, stage_idx: int = -1, task_idx: int = 0) -> Optional[Path]:$/;" m class:Stage_API typeref:typename:Optional[Path] -configure_reporters sim/nwchem/run_nwchem.py /^def configure_reporters($/;" f typeref:typename:None -configure_reporters sim/openmm/run_openmm.py /^def configure_reporters($/;" f typeref:typename:None -configure_reporters sim/openmm_stream/run_openmm.py /^def configure_reporters($/;" f -configure_simulation sim/nwchem/run_nwchem.py /^def configure_simulation($/;" f typeref:typename:None -connect_to_input aggregation/stream/aggregator.py /^def connect_to_input($/;" f typeref:typename:Dict[int,Tuple[adios2.adios2.ADIOS,adios2.adios2.IO,adios2.adios2.Engine]] -connections aggregation/stream/aggregator.py /^ connections = connect_to_input(cfg, bpfiles)$/;" v -contact_map aggregation/basic/config.py /^ contact_map: bool = False$/;" v class:BasicAggegation typeref:typename:bool -contact_map sim/lammps/config.py /^ contact_map: bool = False$/;" v class:LAMMPSConfig typeref:typename:bool -contact_map sim/nwchem/config.py /^ contact_map: bool = False$/;" v class:NWChemConfig typeref:typename:bool -contact_map sim/openmm/config.py /^ contact_map: bool = True$/;" v class:OpenMMConfig typeref:typename:bool -control_DDMD NWchem_Adapt.py /^ def control_DDMD (self, ttype, series):$/;" f -control_DDMD NWchem_T1.py /^ def control_DDMD (self, ttype, series):$/;" f -conv_filter_shapes agents/stream/config.py /^ conv_filter_shapes: List[Tuple[int, int]] = [(3, 3), (3, 3), (3, 3), (3, 3)]$/;" v class:OutlierDetectionConfig typeref:typename:List[Tuple[int, int]] -conv_filter_shapes models/keras_cvae/config.py /^ conv_filter_shapes: List[Tuple[int, int]] = [(3, 3), (3, 3), (3, 3), (3, 3)]$/;" v class:KerasCVAEModelConfig typeref:typename:List[Tuple[int, int]] -conv_filter_shapes models/keras_cvae_stream/config.py /^ conv_filter_shapes: List[Tuple[int, int]] = [(3, 3), (3, 3), (3, 3), (3, 3)]$/;" v class:KerasCVAEModelConfig typeref:typename:List[Tuple[int, int]] -conv_filters agents/stream/config.py /^ conv_filters: List[int] = [64, 64, 64, 64]$/;" v class:OutlierDetectionConfig typeref:typename:List[int] -conv_filters models/keras_cvae/config.py /^ conv_filters: List[int] = [64, 64, 64, 64]$/;" v class:KerasCVAEModelConfig typeref:typename:List[int] -conv_filters models/keras_cvae_stream/config.py /^ conv_filters: List[int] = [64, 64, 64, 64]$/;" v class:KerasCVAEModelConfig typeref:typename:List[int] -conv_layers agents/stream/config.py /^ conv_layers: int = 4$/;" v class:OutlierDetectionConfig typeref:typename:int -conv_layers models/keras_cvae/config.py /^ conv_layers: int = 4$/;" v class:KerasCVAEModelConfig typeref:typename:int -conv_layers models/keras_cvae_stream/config.py /^ conv_layers: int = 4$/;" v class:KerasCVAEModelConfig typeref:typename:int -conv_strides agents/stream/config.py /^ conv_strides: List[Tuple[int, int]] = [(1, 1), (2, 2), (1, 1), (1, 1)]$/;" v class:OutlierDetectionConfig typeref:typename:List[Tuple[int, int]] -conv_strides models/keras_cvae/config.py /^ conv_strides: List[Tuple[int, int]] = [(1, 1), (2, 2), (1, 1), (1, 1)]$/;" v class:KerasCVAEModelConfig typeref:typename:List[Tuple[int, int]] -conv_strides models/keras_cvae_stream/config.py /^ conv_strides: List[Tuple[int, int]] = [(1, 1), (2, 2), (1, 1), (1, 1)]$/;" v class:KerasCVAEModelConfig typeref:typename:List[Tuple[int, int]] -copy_velocities_p sim/openmm_stream/config.py /^ copy_velocities_p: float = 0.5$/;" v class:OpenMMConfig typeref:typename:float -cores_used NWchem_Adapt.py /^ cores_used = 0$/;" v class:DDMD -cores_used NWchem_T1.py /^ cores_used = 0$/;" v class:DDMD -cores_used NWchem_sync.py /^ cores_used = 0$/;" v class:DDMD -cp agents/lof/lof.py /^ import cupy as cp # type: ignore[import]$/;" I function:run_dbscan file: nameref:module:cupy -cp agents/stream/dbscan.py /^import cupy as cp$/;" I nameref:module:cupy -cp_ff_files sim/nwchem/nwchem.py /^def cp_ff_files(case_path: PathLike) -> None:$/;" f typeref:typename:None -cpu_reqs config.py /^ cpu_reqs: CPUReqs = CPUReqs()$/;" v class:BaseStageConfig typeref:typename:CPUReqs -curr_path sim/nwchem/ase_nwchem_test.py /^curr_path = Path(".\/")$/;" v -curr_path sim/nwchem/ase_nwchem_test_1.py /^curr_path = Path(".\/")$/;" v -curr_path sim/nwchem/main1_nwchem.py /^curr_path = Path(".\/")$/;" v -curr_path sim/nwchem/main2_nwchem.py /^curr_path = Path(".\/")$/;" v -curr_path sim/nwchem/main3_nwchem.py /^curr_path = Path(".\/")$/;" v -curr_path sim/nwchem/nwchem_test.py /^curr_path = Path(".\/")$/;" v -current_dir sim/openmm_stream/config.py /^ current_dir: Path = Path()$/;" v class:OpenMMConfig typeref:typename:Path -cwd models/deepmd/deepmd_test.py /^cwd = os.getcwd()$/;" v -cwd models/deepmd/main_deepmd.py /^cwd = os.getcwd()$/;" v -cwd sim/lammps/ase_lammps_test.py /^cwd = os.getcwd()$/;" v -cwd sim/lammps/main_ase_lammps.py /^cwd = os.getcwd()$/;" v -data sim/nwchem/nwchem_test.py /^data = nwchem.read_trajectory("nwchemdat_md.xyz","nwchemdat_md.xyz")$/;" v -data_dir sim/lammps/ase_lammps_test.py /^data_dir = "pdbs"$/;" v -data_dir sim/lammps/main_ase_lammps.py /^data_dir = "pdbs"$/;" v -data_path models/deepmd/deepmd_test.py /^data_path = Path(cwd,"..\/..\/sim\/nwchem\/test_dir")$/;" v -data_path models/deepmd/main_deepmd.py /^data_path = Path(cwd,"..\/..\/sim\/nwchem\/test_dir")$/;" v -dataset_location models/aae/config.py /^ dataset_location: str = "storage"$/;" v class:AAEModelConfig typeref:typename:str -dataset_name models/aae/config.py /^ dataset_name: str = "point_cloud"$/;" v class:AAEModelConfig typeref:typename:str -dataset_name models/keras_cvae/config.py /^ dataset_name: str = "contact_map"$/;" v class:KerasCVAEModelConfig typeref:typename:str -dbscan_outlier_search agents/lof/lof.py /^def dbscan_outlier_search($/;" f typeref:typename:"npt.ArrayLike" -decode models/keras_cvae/model.py /^ def decode(self, data: "npt.ArrayLike") -> "npt.ArrayLike":$/;" m class:CVAE typeref:typename:"npt.ArrayLike" -decoder_affine_widths models/aae_stream/config.py /^ decoder_affine_widths: List[int] = [64, 128, 512, 1024]$/;" v class:Point3dAAEConfig typeref:typename:List[int] -decoder_bias models/aae_stream/config.py /^ decoder_bias: bool = True$/;" v class:Point3dAAEConfig typeref:typename:bool -decoder_relu_slope models/aae_stream/config.py /^ decoder_relu_slope: float = 0.0$/;" v class:Point3dAAEConfig typeref:typename:float -deepmd models/deepmd/deepmd.py /^ deepmd = {$/;" v class:DeePMDInput -deepmd_source_dir sim/nwchem/ase_nwchem_test.py /^deepmd_source_dir = None$/;" v -deepmd_source_dir sim/nwchem/ase_nwchem_test_1.py /^deepmd_source_dir = None$/;" v -deepmd_source_dir sim/nwchem/main1_nwchem.py /^deepmd_source_dir = None$/;" v -deepmd_source_dir sim/nwchem/main2_nwchem.py /^deepmd_source_dir = None$/;" v -deepmd_source_dir sim/nwchem/main3_nwchem.py /^deepmd_source_dir = None$/;" v -dense_dropouts agents/stream/config.py /^ dense_dropouts: List[float] = [0.25]$/;" v class:OutlierDetectionConfig typeref:typename:List[float] -dense_dropouts models/keras_cvae/config.py /^ dense_dropouts: List[float] = [0.25]$/;" v class:KerasCVAEModelConfig typeref:typename:List[float] -dense_dropouts models/keras_cvae_stream/config.py /^ dense_dropouts: List[float] = [0.25]$/;" v class:KerasCVAEModelConfig typeref:typename:List[float] -dense_layers agents/stream/config.py /^ dense_layers: int = 1$/;" v class:OutlierDetectionConfig typeref:typename:int -dense_layers models/keras_cvae/config.py /^ dense_layers: int = 1$/;" v class:KerasCVAEModelConfig typeref:typename:int -dense_layers models/keras_cvae_stream/config.py /^ dense_layers: int = 1$/;" v class:KerasCVAEModelConfig typeref:typename:int -dense_neurons agents/stream/config.py /^ dense_neurons: List[int] = [128]$/;" v class:OutlierDetectionConfig typeref:typename:List[int] -dense_neurons models/keras_cvae/config.py /^ dense_neurons: List[int] = [128]$/;" v class:KerasCVAEModelConfig typeref:typename:List[int] -dense_neurons models/keras_cvae_stream/config.py /^ dense_neurons: List[int] = [128]$/;" v class:KerasCVAEModelConfig typeref:typename:List[int] -describeNextReport sim/openmm_stream/openmm_reporter.py /^ def describeNextReport(self, simulation):$/;" m class:ContactMapReporter -dirs agents/stream/dbscan.py /^def dirs(cfg: OutlierDetectionConfig) -> Tuple[str, str, str]:$/;" f typeref:typename:Tuple[str,str,str] -disc_optimizer models/aae_stream/config.py /^ disc_optimizer: OptimizerConfig = OptimizerConfig($/;" v class:Point3dAAEConfig typeref:typename:OptimizerConfig -discriminator_affine_widths models/aae_stream/config.py /^ discriminator_affine_widths: List[int] = [512, 128, 64]$/;" v class:Point3dAAEConfig typeref:typename:List[int] -discriminator_bias models/aae_stream/config.py /^ discriminator_bias: bool = True$/;" v class:Point3dAAEConfig typeref:typename:bool -discriminator_filters models/aae/config.py /^ discriminator_filters: List[int] = [512, 512, 128, 64]$/;" v class:AAEModelConfig typeref:typename:List[int] -discriminator_relu_slope models/aae/config.py /^ discriminator_relu_slope: float = 0.0$/;" v class:AAEModelConfig typeref:typename:float -discriminator_relu_slope models/aae_stream/config.py /^ discriminator_relu_slope: float = 0.0$/;" v class:Point3dAAEConfig typeref:typename:float -dist models/aae/train.py /^import torch.distributed as dist # type: ignore[import]$/;" I nameref:module:torch.distributed -divisibleby sim/openmm_stream/config.py /^ divisibleby: int = 2$/;" v class:OpenMMConfig typeref:typename:int -dt_ps sim/lammps/config.py /^ dt_ps: float = 0.002$/;" v class:LAMMPSConfig typeref:typename:float -dt_ps sim/nwchem/config.py /^ dt_ps: float = 0.002$/;" v class:NWChemConfig typeref:typename:float -dt_ps sim/openmm/config.py /^ dt_ps: float = 0.002$/;" v class:OpenMMConfig typeref:typename:float -dt_ps sim/openmm_stream/config.py /^ dt_ps: float = 0.002$/;" v class:OpenMMConfig typeref:typename:float -dump NWchem_Adapt.py /^ def dump(self, task=None, msg=''):$/;" f -dump NWchem_T1.py /^ def dump(self, task=None, msg=''):$/;" f -dump NWchem_sync.py /^ def dump(self, task=None, msg=''):$/;" f -dump_json models/deepmd/deepmd.py /^ def dump_json(self, fpath: PathLike) -> None:$/;" m class:DeePMDInput typeref:typename:None -dump_yaml config.py /^ def dump_yaml(self, cfg_path: PathLike) -> None:$/;" m class:BaseSettings typeref:typename:None -embed_interval models/aae/config.py /^ embed_interval: int = 1$/;" v class:AAEModelConfig typeref:typename:int -encoder_bias models/aae_stream/config.py /^ encoder_bias: bool = True$/;" v class:Point3dAAEConfig typeref:typename:bool -encoder_filters models/aae/config.py /^ encoder_filters: List[int] = [64, 128, 256, 256, 512]$/;" v class:AAEModelConfig typeref:typename:List[int] -encoder_filters models/aae_stream/config.py /^ encoder_filters: List[int] = [64, 128, 256, 256, 512]$/;" v class:Point3dAAEConfig typeref:typename:List[int] -encoder_kernel_sizes models/aae/config.py /^ encoder_kernel_sizes: List[int] = [5, 5, 3, 1, 1]$/;" v class:AAEModelConfig typeref:typename:List[int] -encoder_kernels models/aae_stream/config.py /^ encoder_kernels: List[int] = [5, 5, 3, 1, 1]$/;" v class:Point3dAAEConfig typeref:typename:List[int] -encoder_relu_slope models/aae/config.py /^ encoder_relu_slope: float = 0.0$/;" v class:AAEModelConfig typeref:typename:float -encoder_relu_slope models/aae_stream/config.py /^ encoder_relu_slope: float = 0.0$/;" v class:Point3dAAEConfig typeref:typename:float -epochs models/aae/config.py /^ epochs: int = 10$/;" v class:AAEModelConfig typeref:typename:int -epochs models/aae_stream/config.py /^ epochs: int = 30$/;" v class:Point3dAAEConfig typeref:typename:int -epochs models/keras_cvae/config.py /^ epochs: int = 10$/;" v class:KerasCVAEModelConfig typeref:typename:int -epochs models/keras_cvae_stream/config.py /^ epochs: int = 10$/;" v class:KerasCVAEModelConfig typeref:typename:int -executable config.py /^ executable: str = ""$/;" v class:BaseStageConfig typeref:typename:str -experiment_directory config.py /^ experiment_directory: Path = Path("set_by_deepdrivemd")$/;" v class:BaseTaskConfig typeref:typename:Path -experiment_directory_cannot_exist config.py /^ def experiment_directory_cannot_exist(cls, v: Path) -> Path:$/;" m class:ExperimentConfig typeref:typename:Path -explicit sim/lammps/config.py /^ explicit = "explicit"$/;" v class:LAMMPSConfig.MDSolvent -explicit sim/nwchem/config.py /^ explicit = "explicit"$/;" v class:NWChemConfig.MDSolvent -explicit sim/openmm/config.py /^ explicit = "explicit"$/;" v class:OpenMMConfig.MDSolvent -explicit sim/openmm_stream/config.py /^ explicit = "explicit"$/;" v class:OpenMMConfig.MDSolvent -explicit_solvent_requires_top_suffix sim/nwchem/config.py /^ def explicit_solvent_requires_top_suffix($/;" m class:NWChemConfig typeref:typename:Dict[str,Any] -explicit_solvent_requires_top_suffix sim/openmm/config.py /^ def explicit_solvent_requires_top_suffix($/;" m class:OpenMMConfig typeref:typename:Dict[str,Any] -explicit_solvent_requires_top_suffix sim/openmm_stream/config.py /^ def explicit_solvent_requires_top_suffix(cls, values: dict):$/;" m class:OpenMMConfig -extra config.py /^ extra = "allow"$/;" v class:BaseTaskConfig.Config -extra_gpus deepdrivemd.py /^ num_nodes, extra_gpus = divmod($/;" v -extrinsic_score agents/lof/config.py /^ extrinsic_score: Optional[str] = None$/;" v class:OutlierDetectionConfig typeref:typename:Optional[str] -failed sim/lammps/ase_lammps_test.py /^failed, struct = ase_lammps.lammps_questionable(0.1,0.3,freq)$/;" v -failed sim/lammps/main_ase_lammps.py /^failed, struct = ase_lammps.lammps_questionable(0.1,0.3,freq)$/;" v -fetch_input sim/nwchem/ase_nwchem.py /^def fetch_input(data: PathLike) -> List[PathLike]:$/;" f typeref:typename:List[PathLike] -final_shape agents/stream/config.py /^ final_shape: List[int] = [28, 28, 1]$/;" v class:OutlierDetectionConfig typeref:typename:List[int] -final_shape models/keras_cvae/config.py /^ final_shape: Tuple[int, int, int] = (28, 28, 1)$/;" v class:KerasCVAEModelConfig typeref:typename:Tuple[int, int, int] -final_shape models/keras_cvae_stream/config.py /^ final_shape: Tuple[int, ...] = (28, 28, 1)$/;" v class:KerasCVAEModelConfig typeref:typename:Tuple[int, ...] -find_input aggregation/stream/aggregator.py /^def find_input(cfg: StreamAggregation) -> List[str]:$/;" f typeref:typename:List[str] -fix_input_pdb sim/nwchem/nwchem.py /^def fix_input_pdb(pdb_file: PathLike) -> None:$/;" f typeref:typename:None -fix_nwchem_xyz sim/nwchem/nwchem.py /^def fix_nwchem_xyz(xyz_file: PathLike) -> None:$/;" f typeref:typename:None -fnc aggregation/basic/config.py /^ fnc: bool = False$/;" v class:BasicAggegation typeref:typename:bool -fnc_name models/aae/config.py /^ fnc_name: str = "fnc"$/;" v class:AAEModelConfig typeref:typename:str -fraction_of_contacts sim/lammps/config.py /^ fraction_of_contacts: bool = False$/;" v class:LAMMPSConfig typeref:typename:bool -fraction_of_contacts sim/nwchem/config.py /^ fraction_of_contacts: bool = False$/;" v class:NWChemConfig typeref:typename:bool -fraction_of_contacts sim/openmm/config.py /^ fraction_of_contacts: bool = True$/;" v class:OpenMMConfig typeref:typename:bool -freq sim/lammps/ase_lammps_test.py /^freq = 100$/;" v -freq sim/lammps/main_ase_lammps.py /^freq = 100$/;" v -from_yaml config.py /^ def from_yaml(cls: Type[_T], filename: PathLike) -> _T:$/;" m class:BaseSettings typeref:typename:_T -func_condition deepdrivemd.py /^ def func_condition(self) -> None:$/;" m class:PipelineManager typeref:typename:None -func_on_false deepdrivemd.py /^ def func_on_false(self) -> None:$/;" m class:PipelineManager typeref:typename:None -func_on_true deepdrivemd.py /^ def func_on_true(self) -> None:$/;" m class:PipelineManager typeref:typename:None -gen_input models/deepmd/deepmd.py /^def gen_input(data_path: PathLike, json_path: PathLike) -> None:$/;" f typeref:typename:None -gen_input_analysis sim/nwchem/nwchem.py /^def gen_input_analysis() -> None:$/;" f typeref:typename:None -gen_input_dynamics sim/nwchem/nwchem.py /^def gen_input_dynamics(do_md: bool, md_dt_ps: float, md_time_ns: float, temperature_K: float, re/;" f typeref:typename:None -gen_input_minimize sim/nwchem/nwchem.py /^def gen_input_minimize() -> None:$/;" f typeref:typename:None -gen_input_prepare sim/nwchem/nwchem.py /^def gen_input_prepare(pdb: PathLike) -> None:$/;" f typeref:typename:None -gen_new_inputs sim/nwchem/ase_nwchem.py /^def gen_new_inputs(pdb_path: PathLike) -> List[PathLike]:$/;" f typeref:typename:List[PathLike] -generate models/keras_cvae/model.py /^ def generate(self, embedding: "npt.ArrayLike") -> "npt.ArrayLike":$/;" m class:CVAE typeref:typename:"npt.ArrayLike" -generate_agent_stage deepdrivemd.py /^ def generate_agent_stage(self) -> Stage:$/;" m class:PipelineManager typeref:typename:Stage -generate_agent_stage deepdrivemd_stream.py /^ def generate_agent_stage(self) -> Stage:$/;" m class:PipelineManager typeref:typename:Stage -generate_aggregating_stage deepdrivemd.py /^ def generate_aggregating_stage(self) -> Stage:$/;" m class:PipelineManager typeref:typename:Stage -generate_aggregating_stage deepdrivemd_stream.py /^ def generate_aggregating_stage(self) -> Stage:$/;" m class:PipelineManager typeref:typename:Stage -generate_embeddings models/aae/inference.py /^def generate_embeddings($/;" f typeref:typename:"npt.ArrayLike" -generate_embeddings models/keras_cvae/inference.py /^def generate_embeddings($/;" f typeref:typename:"npt.ArrayLike" -generate_machine_learning_stage deepdrivemd.py /^ def generate_machine_learning_stage(self) -> Stage:$/;" m class:PipelineManager typeref:typename:Stage -generate_machine_learning_stage deepdrivemd_stream.py /^ def generate_machine_learning_stage(self) -> Stage:$/;" m class:PipelineManager typeref:typename:Stage -generate_model_selection_stage deepdrivemd.py /^ def generate_model_selection_stage(self) -> Stage:$/;" m class:PipelineManager typeref:typename:Stage -generate_molecular_dynamics_stage deepdrivemd.py /^ def generate_molecular_dynamics_stage(self) -> Stage:$/;" m class:PipelineManager typeref:typename:Stage -generate_molecular_dynamics_stage deepdrivemd_stream.py /^ def generate_molecular_dynamics_stage(self) -> Stage:$/;" m class:PipelineManager typeref:typename:Stage -generate_outliers agents/lof/lof.py /^def generate_outliers($/;" f typeref:typename:List[Dict[str,object]] -generate_pipelines deepdrivemd.py /^ def generate_pipelines(self) -> List[Pipeline]:$/;" m class:PipelineManager typeref:typename:List[Pipeline] -generate_pipelines deepdrivemd_stream.py /^ def generate_pipelines(self) -> List[Pipeline]:$/;" m class:PipelineManager typeref:typename:List[Pipeline] -generate_sample_config config.py /^def generate_sample_config() -> ExperimentConfig:$/;" f typeref:typename:ExperimentConfig -generate_task deepdrivemd.py /^def generate_task(cfg: BaseStageConfig) -> Task:$/;" f typeref:typename:Task -generate_task deepdrivemd_stream.py /^def generate_task(cfg: BaseStageConfig) -> Task:$/;" f typeref:typename:Task -generator_filters models/aae/config.py /^ generator_filters: List[int] = [64, 128, 512, 1024]$/;" v class:AAEModelConfig typeref:typename:List[int] -generator_relu_slope models/aae/config.py /^ generator_relu_slope: float = 0.0$/;" v class:AAEModelConfig typeref:typename:float -get_agent_h5 data/analysis.py /^ def get_agent_h5($/;" m class:DeepDriveMD_Analysis typeref:typename:List[Dict[str,"npt.ArrayLike"]] -get_agent_json data/analysis.py /^ def get_agent_json($/;" m class:DeepDriveMD_Analysis typeref:typename:List[Optional[List[Dict[str,Any]]]] -get_arguments NWchem_Adapt.py /^ def get_arguments(self, ttype, argument_val=""):$/;" m class:DDMD -get_arguments NWchem_T1.py /^ def get_arguments(self, ttype, argument_val=""):$/;" m class:DDMD -get_count data/api.py /^ def get_count(path: Path, pattern: str, is_dir: bool = False) -> int:$/;" m class:Stage_API typeref:typename:int -get_dataset models/aae/train.py /^def get_dataset($/;" f typeref:typename:torch.utils.data.Dataset -get_extrinsic_score agents/lof/lof.py /^def get_extrinsic_score($/;" f typeref:typename:Tuple["npt.ArrayLike","npt.ArrayLike"] -get_frameinfo utils.py /^def get_frameinfo() -> Traceback:$/;" f typeref:typename:Traceback -get_h5_training_file models/aae/train.py /^def get_h5_training_file(cfg: AAEModelConfig) -> Tuple[Path, List[str]]:$/;" f typeref:typename:Tuple[Path,List[str]] -get_h5_training_file models/keras_cvae/train.py /^def get_h5_training_file(cfg: KerasCVAEModelConfig) -> Tuple[Path, List[str]]:$/;" f typeref:typename:Tuple[Path,List[str]] -get_init_weights models/aae/train.py /^def get_init_weights(cfg: AAEModelConfig) -> Optional[str]:$/;" f typeref:typename:Optional[str] -get_init_weights models/keras_cvae/train.py /^def get_init_weights(cfg: KerasCVAEModelConfig) -> Optional[str]:$/;" f typeref:typename:Optional[str] -get_initial_pdbs data/api.py /^ def get_initial_pdbs(initial_pdb_dir: PathLike) -> List[Path]:$/;" m class:DeepDriveMD_API typeref:typename:List[Path] -get_intrinsic_score agents/lof/lof.py /^def get_intrinsic_score($/;" f typeref:typename:Tuple["npt.ArrayLike","npt.ArrayLike"] -get_json NWchem_Adapt.py /^ def get_json(self):$/;" m class:DDMD -get_json NWchem_T1.py /^ def get_json(self):$/;" m class:DDMD -get_last_n_md_runs data/api.py /^ def get_last_n_md_runs($/;" m class:DeepDriveMD_API typeref:typename:Dict[str,List[str]] -get_latest data/api.py /^ def get_latest($/;" m class:Stage_API typeref:typename:Optional[Path] -get_model_path selection/latest/select_model.py /^def get_model_path($/;" f typeref:typename:Optional[Tuple[Path,Path]] -get_representation agents/lof/lof.py /^def get_representation($/;" f typeref:typename:"npt.ArrayLike" -get_restart_pdb data/api.py /^ def get_restart_pdb($/;" m class:DeepDriveMD_API typeref:typename:Dict[str,Any] -get_system_name data/api.py /^ def get_system_name(pdb_file: PathLike) -> str:$/;" m class:DeepDriveMD_API typeref:typename:str -get_system_pdb_name data/api.py /^ def get_system_pdb_name(pdb_file: PathLike) -> str:$/;" m class:DeepDriveMD_API typeref:typename:str -get_topology data/api.py /^ def get_topology($/;" m class:DeepDriveMD_API typeref:typename:Optional[Path] -get_total_iterations data/api.py /^ def get_total_iterations(self) -> int:$/;" m class:DeepDriveMD_API typeref:typename:int -get_virtual_h5_file data/utils.py /^def get_virtual_h5_file($/;" f typeref:typename:Tuple[Path,List[str]] -glob_file_from_dirs data/api.py /^def glob_file_from_dirs(dirs: List[str], pattern: str) -> List[str]:$/;" f typeref:typename:List[str] -gpu_reqs config.py /^ gpu_reqs: GPUReqs = GPUReqs()$/;" v class:BaseStageConfig typeref:typename:GPUReqs -gpus_used NWchem_Adapt.py /^ gpus_used = 0$/;" v class:DDMD -gpus_used NWchem_T1.py /^ gpus_used = 0$/;" v class:DDMD -gpus_used NWchem_sync.py /^ gpus_used = 0$/;" v class:DDMD -h5_prefix sim/nwchem/run_nwchem.py /^ def h5_prefix(self) -> str:$/;" m class:SimulationContext typeref:typename:str -h5_prefix sim/openmm/run_openmm.py /^ def h5_prefix(self) -> str:$/;" m class:SimulationContext typeref:typename:str -hartree_to_ev sim/nwchem/ase_nwchem.py /^hartree_to_ev = 27.211399$/;" v -hash2intarray utils.py /^def hash2intarray(h):$/;" f -hdf5_basename sim/lammps/ase_lammps_test.py /^hdf5_basename = Path(cwd,test_dir,"trj_lammps")$/;" v -hdf5_basename sim/lammps/main_ase_lammps.py /^hdf5_basename = Path(cwd,test_dir,"trj_lammps")$/;" v -heat_bath_friction_coef sim/openmm/config.py /^ heat_bath_friction_coef: float = 1.0$/;" v class:OpenMMConfig typeref:typename:float -heat_bath_friction_coef sim/openmm_stream/config.py /^ heat_bath_friction_coef: float = 1.0$/;" v class:OpenMMConfig typeref:typename:float -implicit sim/lammps/config.py /^ implicit = "implicit"$/;" v class:LAMMPSConfig.MDSolvent -implicit sim/nwchem/config.py /^ implicit = "implicit"$/;" v class:NWChemConfig.MDSolvent -implicit sim/openmm/config.py /^ implicit = "implicit"$/;" v class:OpenMMConfig.MDSolvent -implicit sim/openmm_stream/config.py /^ implicit = "implicit"$/;" v class:OpenMMConfig.MDSolvent -in_memory sim/lammps/config.py /^ in_memory: bool = True$/;" v class:LAMMPSConfig typeref:typename:bool -in_memory sim/nwchem/config.py /^ in_memory: bool = True$/;" v class:NWChemConfig typeref:typename:bool -in_memory sim/openmm/config.py /^ in_memory: bool = True$/;" v class:OpenMMConfig typeref:typename:bool -in_memory sim/openmm_stream/config.py /^ in_memory: bool = True$/;" v class:OpenMMConfig typeref:typename:bool -inference_batch_size agents/lof/config.py /^ inference_batch_size: int = 128$/;" v class:OutlierDetectionConfig typeref:typename:int -init_eps agents/stream/config.py /^ init_eps: float = 1.3$/;" v class:OutlierDetectionConfig typeref:typename:float -init_input sim/openmm_stream/run_openmm.py /^def init_input(cfg: OpenMMConfig):$/;" f -init_min_samples agents/stream/config.py /^ init_min_samples: int = 10$/;" v class:OutlierDetectionConfig typeref:typename:int -init_multi_ligand sim/openmm_stream/run_openmm.py /^def init_multi_ligand(cfg: OpenMMConfig, task_id=None):$/;" f -init_pdb_file agents/stream/config.py /^ init_pdb_file: Path = Path()$/;" v class:OutlierDetectionConfig typeref:typename:Path -init_weights models/aae_stream/config.py /^ init_weights: Optional[str] = ""$/;" v class:Point3dAAEConfig typeref:typename:Optional[str] -init_weights_path config.py /^ init_weights_path: Optional[Path] = None$/;" v class:MachineLearningTaskConfig typeref:typename:Optional[Path] -initial_epochs models/aae/config.py /^ initial_epochs: int = 10$/;" v class:AAEModelConfig typeref:typename:int -initial_epochs models/keras_cvae/config.py /^ initial_epochs: int = 10$/;" v class:KerasCVAEModelConfig typeref:typename:int -initial_pdb_dir sim/lammps/config.py /^ initial_pdb_dir: Optional[Path] = None$/;" v class:LAMMPSConfig typeref:typename:Optional[Path] -initial_pdb_dir sim/nwchem/config.py /^ initial_pdb_dir: Optional[Path] = None$/;" v class:NWChemConfig typeref:typename:Optional[Path] -initial_pdb_dir sim/openmm_stream/config.py /^ initial_pdb_dir: Path = Path()$/;" v class:OpenMMConfig typeref:typename:Path -initial_shape models/keras_cvae/config.py /^ initial_shape: Tuple[int, int] = (28, 28)$/;" v class:KerasCVAEModelConfig typeref:typename:Tuple[int, int] -input_path models/aae_stream/config.py /^ input_path: Path = Path($/;" v class:Point3dAAEConfig typeref:typename:Path -inputs sim/nwchem/ase_nwchem_test.py /^inputs = inputs_cp + inputs_gn$/;" v -inputs sim/nwchem/ase_nwchem_test_1.py /^inputs = ase_nwchem.gen_new_inputs(test_pdbs)$/;" v -inputs sim/nwchem/main1_nwchem.py /^inputs = inputs_cp + inputs_gn$/;" v -inputs_cp sim/nwchem/ase_nwchem_test.py /^inputs_cp = ase_nwchem.fetch_input(test_data)$/;" v -inputs_cp sim/nwchem/main1_nwchem.py /^inputs_cp = ase_nwchem.fetch_input(test_data)$/;" v -inputs_gn sim/nwchem/ase_nwchem_test.py /^inputs_gn = ase_nwchem.perturb_mol(50,test_pdb)$/;" v -inputs_gn sim/nwchem/main1_nwchem.py /^inputs_gn = ase_nwchem.perturb_mol(30,test_pdb)$/;" v -instance sim/nwchem/main2_nwchem.py /^instance = sys.argv[1]$/;" v -intarray2hash utils.py /^def intarray2hash(ia):$/;" f -intrinsic_score agents/lof/config.py /^ intrinsic_score: Optional[str] = "lof"$/;" v class:OutlierDetectionConfig typeref:typename:Optional[str] -json_file models/deepmd/deepmd_test.py /^json_file = Path(cwd,"input.json")$/;" v -json_file models/deepmd/main_deepmd.py /^json_file = Path(train,"input.json")$/;" v -json_path data/api.py /^ def json_path(self, stage_idx: int = -1, task_idx: int = 0) -> Optional[Path]:$/;" m class:Stage_API typeref:typename:Optional[Path] -k_random_old_h5_files agents/lof/config.py /^ k_random_old_h5_files: int = 0$/;" v class:OutlierDetectionConfig typeref:typename:int -k_random_old_h5_files models/aae/config.py /^ k_random_old_h5_files: int = 0$/;" v class:AAEModelConfig typeref:typename:int -k_random_old_h5_files models/keras_cvae/config.py /^ k_random_old_h5_files: int = 0$/;" v class:KerasCVAEModelConfig typeref:typename:int -lambda_gp models/aae/config.py /^ lambda_gp: float = 10$/;" v class:AAEModelConfig typeref:typename:float -lambda_gp models/aae_stream/config.py /^ lambda_gp: float = 10.0$/;" v class:Point3dAAEConfig typeref:typename:float -lambda_rec models/aae/config.py /^ lambda_rec: float = 0.5$/;" v class:AAEModelConfig typeref:typename:float -lambda_rec models/aae_stream/config.py /^ lambda_rec: float = 0.5$/;" v class:Point3dAAEConfig typeref:typename:float -lammps_contactmap sim/lammps/ase_lammps.py /^def lammps_contactmap(trj_file: PathLike, pdb_file: PathLike, hdf5_file: PathLike):$/;" f -lammps_input sim/lammps/ase_lammps.py /^def lammps_input(pdb: PathLike, train: PathLike, freq: int) -> None:$/;" f typeref:typename:None -lammps_prefix_path sim/lammps/config.py /^ lammps_prefix_path: Optional[Path] = None$/;" v class:LAMMPSConfig typeref:typename:Optional[Path] -lammps_questionable sim/lammps/ase_lammps.py /^def lammps_questionable(force_crit_lo: float, force_crit_hi: float, freq: int) -> List[int]:$/;" f typeref:typename:List[int] -lammps_run sim/lammps/ase_lammps.py /^def lammps_run() -> None:$/;" f typeref:typename:None -lammps_selection sim/lammps/config.py /^ lammps_selection: List[str] = ["C", "O", "N"]$/;" v class:LAMMPSConfig typeref:typename:List[str] -lammps_to_pdb sim/lammps/ase_lammps.py /^def lammps_to_pdb(trj_file: PathLike, pdb_file: PathLike, indeces: List[int], data_dir: PathLike/;" f -lammps_txt_trajectory sim/lammps/ase_lammps.py /^class lammps_txt_trajectory:$/;" c -lastN agents/stream/config.py /^ lastN: int = 8000$/;" v class:OutlierDetectionConfig typeref:typename:int -last_n_h5_files models/aae/config.py /^ last_n_h5_files: int = 10$/;" v class:AAEModelConfig typeref:typename:int -last_n_h5_files models/keras_cvae/config.py /^ last_n_h5_files: int = 10$/;" v class:KerasCVAEModelConfig typeref:typename:int -latent_dim agents/stream/config.py /^ latent_dim: int = 10$/;" v class:OutlierDetectionConfig typeref:typename:int -latent_dim models/aae/config.py /^ latent_dim: int = 64$/;" v class:AAEModelConfig typeref:typename:int -latent_dim models/aae_stream/config.py /^ latent_dim: int = 16$/;" v class:Point3dAAEConfig typeref:typename:int -latent_dim models/keras_cvae/config.py /^ latent_dim: int = 10$/;" v class:KerasCVAEModelConfig typeref:typename:int -latent_dim models/keras_cvae_stream/config.py /^ latent_dim: int = 10$/;" v class:KerasCVAEModelConfig typeref:typename:int -latest_checkpoint selection/latest/select_model.py /^def latest_checkpoint($/;" f typeref:typename:Path -latest_model_checkpoint selection/latest/select_model.py /^def latest_model_checkpoint(cfg: LatestCheckpointConfig) -> None:$/;" f typeref:typename:None -ligand sim/openmm_stream/config.py /^ ligand: int = -1$/;" v class:OpenMMConfig typeref:typename:int -load models/keras_cvae/model.py /^ def load(self, filepath: str) -> None:$/;" m class:CVAE typeref:typename:None -log_file sim/nwchem/run_nwchem.py /^ def log_file(self) -> str:$/;" m class:SimulationContext typeref:typename:str -log_file sim/openmm/run_openmm.py /^ def log_file(self) -> str:$/;" m class:SimulationContext typeref:typename:str -main agents/lof/lof.py /^def main(cfg: OutlierDetectionConfig, encoder_gpu: int, distributed: bool) -> None:$/;" f typeref:typename:None -main agents/stream/dbscan.py /^def main(cfg: OutlierDetectionConfig):$/;" f -main models/aae/train.py /^def main($/;" f typeref:typename:None -main models/aae_stream/train.py /^def main(cfg: Point3dAAEConfig):$/;" f -main models/keras_cvae/train.py /^def main(cfg: KerasCVAEModelConfig) -> None:$/;" f typeref:typename:None -main models/keras_cvae_stream/train.py /^def main(cfg: KerasCVAEModelConfig):$/;" f -make_nwchemrc sim/nwchem/nwchem.py /^def make_nwchemrc(workdir: PathLike, nwchem_top: PathLike) -> None:$/;" f typeref:typename:None -max_loss models/aae_stream/config.py /^ max_loss: int = 10000$/;" v class:Point3dAAEConfig typeref:typename:int -max_loss models/keras_cvae_stream/config.py /^ max_loss: int = 10000$/;" v class:KerasCVAEModelConfig typeref:typename:int -max_steps models/aae_stream/config.py /^ max_steps: int = 8000$/;" v class:Point3dAAEConfig typeref:typename:int -max_steps models/keras_cvae_stream/config.py /^ max_steps: int = 8000$/;" v class:KerasCVAEModelConfig typeref:typename:int -mda sim/lammps/ase_lammps.py /^import MDAnalysis as mda$/;" I nameref:module:MDAnalysis -mda_selection sim/lammps/config.py /^ mda_selection: str = "(name C) or (name N) or (name O)"$/;" v class:LAMMPSConfig typeref:typename:str -mda_selection sim/nwchem/config.py /^ mda_selection: str = "(name CA) or (name PA) or (name PB) or (name C4) or (name C5) or (name/;" v class:NWChemConfig typeref:typename:str -mda_selection sim/openmm/config.py /^ mda_selection: str = "protein and name CA"$/;" v class:OpenMMConfig typeref:typename:str -mda_selection sim/openmm_stream/config.py /^ mda_selection: str = "protein and name CA"$/;" v class:OpenMMConfig typeref:typename:str -min_step_increment agents/stream/config.py /^ min_step_increment: int = 500$/;" v class:OutlierDetectionConfig typeref:typename:int -min_step_increment models/aae_stream/config.py /^ min_step_increment: int = 5000$/;" v class:Point3dAAEConfig typeref:typename:int -min_step_increment models/keras_cvae_stream/config.py /^ min_step_increment: int = 5000$/;" v class:KerasCVAEModelConfig typeref:typename:int -model agents/stream/config.py /^ model: str = "cvae"$/;" v class:OutlierDetectionConfig typeref:typename:str -model aggregation/stream/config.py /^ model: str = "cvae"$/;" v class:StreamAggregation typeref:typename:str -model models/aae_stream/config.py /^ model: str = "aae"$/;" v class:Point3dAAEConfig typeref:typename:str -model models/keras_cvae_stream/config.py /^ model: str = "cvae"$/;" v class:KerasCVAEModelConfig typeref:typename:str -model sim/openmm_stream/config.py /^ model = "cvae"$/;" v class:OpenMMConfig -model_tag config.py /^ model_tag: str = "set_by_deepdrivemd"$/;" v class:MachineLearningTaskConfig typeref:typename:str -model_tag models/aae_stream/config.py /^ model_tag: str = "aae"$/;" v class:Point3dAAEConfig typeref:typename:str -model_type agents/lof/config.py /^ model_type: str = "keras_cvae"$/;" v class:OutlierDetectionConfig typeref:typename:str -model_type_check agents/lof/config.py /^ def model_type_check(cls, v: str) -> str:$/;" m class:OutlierDetectionConfig typeref:typename:str -move_results sim/nwchem/run_nwchem.py /^ def move_results(self) -> None:$/;" m class:SimulationContext typeref:typename:None -move_results sim/openmm/run_openmm.py /^ def move_results(self) -> None:$/;" m class:SimulationContext typeref:typename:None -mt NWchem_Adapt.py /^import threading as mt$/;" I nameref:module:threading -mt NWchem_T1.py /^import threading as mt$/;" I nameref:module:threading -mt NWchem_sync.py /^import threading as mt$/;" I nameref:module:threading -multi_ligand_table agents/stream/config.py /^ multi_ligand_table: Path = Path()$/;" v class:OutlierDetectionConfig typeref:typename:Path -multi_ligand_table aggregation/stream/config.py /^ multi_ligand_table: Path = Path()$/;" v class:StreamAggregation typeref:typename:Path -multi_ligand_table sim/openmm_stream/config.py /^ multi_ligand_table: Path = Path()$/;" v class:OpenMMConfig typeref:typename:Path -n_most_recent_h5_files agents/lof/config.py /^ n_most_recent_h5_files: int = 10$/;" v class:OutlierDetectionConfig typeref:typename:int -n_sim aggregation/stream/config.py /^ n_sim: int = 12$/;" v class:StreamAggregation typeref:typename:int -n_traj_frames agents/lof/config.py /^ n_traj_frames: int = 1000 # This really should be established at runtime.$/;" v class:OutlierDetectionConfig typeref:typename:int -new_list sim/nwchem/ase_nwchem_test_1.py /^new_list = []$/;" v -next data/stream/aggregator_reader.py /^ def next($/;" m class:Streams typeref:typename:Dict[str,Union[np.array,int,float,str]] -next data/stream/aggregator_reader.py /^ def next(self, ARW):$/;" m class:StreamContactMapVariable -next data/stream/aggregator_reader.py /^ def next(self, ARW):$/;" m class:StreamScalarVariable -next data/stream/aggregator_reader.py /^ def next(self, ARW: AdiosStreamStepRW):$/;" m class:StreamVariable -next data/stream/aggregator_reader.py /^ def next(self, N: int) -> Dict[str, Union[np.array, str, int, float]]:$/;" m class:AdiosReader typeref:typename:Dict[str,Union[np.array,str,int,float]] -next sim/lammps/ase_lammps.py /^ def next(self) -> ase.Atoms:$/;" m class:lammps_txt_trajectory typeref:typename:ase.Atoms -next_input models/aae_stream/train.py /^def next_input($/;" f typeref:typename:Tuple[np.ndarray,np.ndarray] -next_input models/keras_cvae_stream/train.py /^def next_input($/;" f typeref:typename:Tuple[np.ndarray,np.ndarray] -next_outlier sim/openmm_stream/run_openmm.py /^def next_outlier($/;" f typeref:typename:Dict[str,Union[int,float,str,np.ndarray]] -next_random data/stream/OutlierDB.py /^ def next_random(self, m: int = None, alpha: int = 1, beta: int = 25) -> str:$/;" m class:OutlierDB typeref:typename:str -node_local_path config.py /^ node_local_path: Optional[Path] = Path("set_by_deepdrivemd")$/;" v class:BaseTaskConfig typeref:typename:Optional[Path] -node_local_path models/aae_stream/config.py /^ node_local_path: Path = Path("\/tmp")$/;" v class:Point3dAAEConfig typeref:typename:Path -noise_mu models/aae/config.py /^ noise_mu: float = 0.0$/;" v class:AAEModelConfig typeref:typename:float -noise_mu models/aae_stream/config.py /^ noise_mu: float = 0.0$/;" v class:Point3dAAEConfig typeref:typename:float -noise_std models/aae/config.py /^ noise_std: float = 1.0$/;" v class:AAEModelConfig typeref:typename:float -noise_std models/aae_stream/config.py /^ noise_std: float = 1.0$/;" v class:Point3dAAEConfig typeref:typename:float -none sim/lammps/config.py /^ none = "none"$/;" v class:LAMMPSConfig.MDSolvent -np agents/lof/lof.py /^import numpy as np$/;" I nameref:module:numpy -np agents/stream/dbscan.py /^import numpy as np$/;" I nameref:module:numpy -np aggregation/basic/aggregate.py /^import numpy as np$/;" I nameref:module:numpy -np aggregation/stream/aggregator.py /^import numpy as np$/;" I nameref:module:numpy -np data/stream/adios_utils.py /^import numpy as np$/;" I nameref:module:numpy -np data/stream/aggregator_reader.py /^import numpy as np$/;" I nameref:module:numpy -np models/aae/inference.py /^import numpy as np$/;" I nameref:module:numpy -np models/aae_stream/train.py /^import numpy as np$/;" I nameref:module:numpy -np models/aae_stream/utils.py /^import numpy as np$/;" I nameref:module:numpy -np models/keras_cvae/model.py /^import numpy as np$/;" I nameref:module:numpy -np models/keras_cvae/train.py /^import numpy as np$/;" I nameref:module:numpy -np models/keras_cvae/utils.py /^import numpy as np$/;" I nameref:module:numpy -np models/keras_cvae_stream/train.py /^import numpy as np$/;" I nameref:module:numpy -np sim/lammps/ase_lammps.py /^import numpy as np$/;" I nameref:module:numpy -np sim/openmm_stream/openmm_reporter.py /^import numpy as np$/;" I nameref:module:numpy -np sim/openmm_stream/run_openmm.py /^import numpy as np$/;" I nameref:module:numpy -np utils.py /^import numpy as np$/;" I nameref:module:numpy -npt agents/lof/lof.py /^ import numpy.typing as npt$/;" I nameref:module:numpy.typing -npt aggregation/basic/aggregate.py /^ import numpy.typing as npt$/;" I nameref:module:numpy.typing -npt data/analysis.py /^ import numpy.typing as npt$/;" I nameref:module:numpy.typing -npt data/utils.py /^ import numpy.typing as npt$/;" I nameref:module:numpy.typing -npt models/aae/inference.py /^ import numpy.typing as npt$/;" I nameref:module:numpy.typing -npt models/keras_cvae/inference.py /^ import numpy.typing as npt$/;" I nameref:module:numpy.typing -npt models/keras_cvae/model.py /^ import numpy.typing as npt$/;" I nameref:module:numpy.typing -npt models/keras_cvae/train.py /^ import numpy.typing as npt$/;" I nameref:module:numpy.typing -npt models/keras_cvae/utils.py /^ import numpy.typing as npt$/;" I nameref:module:numpy.typing -npt utils.py /^ import numpy.typing as npt$/;" I nameref:module:numpy.typing -num_agg agents/stream/config.py /^ num_agg: int = 2$/;" v class:OutlierDetectionConfig typeref:typename:int -num_agg models/aae_stream/config.py /^ num_agg: int = 12$/;" v class:Point3dAAEConfig typeref:typename:int -num_agg models/keras_cvae_stream/config.py /^ num_agg: int = 12$/;" v class:KerasCVAEModelConfig typeref:typename:int -num_data_workers models/aae/config.py /^ num_data_workers: int = 0$/;" v class:AAEModelConfig typeref:typename:int -num_data_workers models/aae_stream/config.py /^ num_data_workers: int = 16$/;" v class:Point3dAAEConfig typeref:typename:int -num_extrinsic_outliers agents/lof/config.py /^ num_extrinsic_outliers: int = 100$/;" v class:OutlierDetectionConfig typeref:typename:int -num_features agents/stream/config.py /^ num_features: int = 0$/;" v class:OutlierDetectionConfig typeref:typename:int -num_features models/aae/config.py /^ num_features: int = 0$/;" v class:AAEModelConfig typeref:typename:int -num_features models/aae_stream/config.py /^ num_features: int = 0$/;" v class:Point3dAAEConfig typeref:typename:int -num_intrinsic_outliers agents/lof/config.py /^ num_intrinsic_outliers: int = 100$/;" v class:OutlierDetectionConfig typeref:typename:int -num_nodes deepdrivemd.py /^ num_nodes = cfg.molecular_dynamics_stage.num_tasks$/;" v -num_nodes deepdrivemd.py /^ num_nodes, extra_gpus = divmod($/;" v -num_nodes deepdrivemd.py /^ num_nodes = max(1, num_nodes)$/;" v -num_nodes deepdrivemd_stream.py /^ num_nodes = compute_number_of_nodes(cfg)$/;" v -num_outliers_check agents/lof/config.py /^ def num_outliers_check(cls, values: Dict[str, Any]) -> Dict[str, Any]:$/;" m class:OutlierDetectionConfig typeref:typename:Dict[str,Any] -num_points agents/stream/config.py /^ num_points: int = 539$/;" v class:OutlierDetectionConfig typeref:typename:int -num_points models/aae/config.py /^ num_points: int = 3375$/;" v class:AAEModelConfig typeref:typename:int -num_points models/aae_stream/config.py /^ num_points: int = 200$/;" v class:Point3dAAEConfig typeref:typename:int -num_sim agents/stream/config.py /^ num_sim: int = 120$/;" v class:OutlierDetectionConfig typeref:typename:int -num_tasks aggregation/stream/config.py /^ num_tasks: int = 2$/;" v class:StreamAggregation typeref:typename:int -num_tasks config.py /^ num_tasks: int = 1$/;" v class:MolecularDynamicsStageConfig typeref:typename:int -num_tasks config.py /^ num_tasks: int = 1$/;" v class:StreamingAgentStageConfig typeref:typename:int -num_tasks config.py /^ num_tasks: int = 1$/;" v class:StreamingAggregationStageConfig typeref:typename:int -num_tasks config.py /^ num_tasks: int = 1$/;" v class:StreamingMachineLearningStageConfig typeref:typename:int -nwchem_input sim/nwchem/ase_nwchem.py /^def nwchem_input(inpf: PathLike, pdb: PathLike) -> None:$/;" f typeref:typename:None -nwchem_selection sim/nwchem/config.py /^ nwchem_selection: List[str] = ["CA", "PA", "PB", "C4", "C5", "C1'", "C3'", "C5'", "C1D", "C3/;" v class:NWChemConfig typeref:typename:List[str] -nwchem_to_raw sim/nwchem/ase_nwchem.py /^def nwchem_to_raw(nwofs: List[PathLike]) -> None:$/;" f typeref:typename:None -nwchem_top sim/nwchem/ase_nwchem_test.py /^nwchem_top = None$/;" v -nwchem_top sim/nwchem/ase_nwchem_test_1.py /^nwchem_top = None$/;" v -nwchem_top sim/nwchem/main1_nwchem.py /^nwchem_top = None$/;" v -nwchem_top sim/nwchem/main2_nwchem.py /^nwchem_top = None$/;" v -nwchem_top sim/nwchem/main3_nwchem.py /^nwchem_top = None$/;" v -nwchem_top sim/nwchem/nwchem_test.py /^nwchem_top = None$/;" v -nwchem_top_dir sim/nwchem/config.py /^ nwchem_top_dir: Optional[Path] = None$/;" v class:NWChemConfig typeref:typename:Optional[Path] -objectives models/keras_cvae/model.py /^import tensorflow.keras.losses as objectives$/;" I nameref:module:tensorflow.keras.losses -on_epoch_end models/keras_cvae/model.py /^ def on_epoch_end(self, epoch: int, logs: Dict[str, float] = {}) -> None:$/;" m class:LossHistory typeref:typename:None -on_train_begin models/keras_cvae/model.py /^ def on_train_begin(self, logs: Dict[str, float] = {}) -> None:$/;" m class:LossHistory typeref:typename:None -openmm_selection sim/openmm/config.py /^ openmm_selection: List[str] = ["CA"]$/;" v class:OpenMMConfig typeref:typename:List[str] -openmm_selection sim/openmm_stream/config.py /^ openmm_selection: List[str] = ["CA"]$/;" v class:OpenMMConfig typeref:typename:List[str] -optimizer_lr models/aae/config.py /^ optimizer_lr: float = 0.0001$/;" v class:AAEModelConfig typeref:typename:float -optimizer_name models/aae/config.py /^ optimizer_name: str = "Adam"$/;" v class:AAEModelConfig typeref:typename:str -outlier_count agents/stream/config.py /^ outlier_count: int = 120$/;" v class:OutlierDetectionConfig typeref:typename:int -outlier_max agents/stream/config.py /^ outlier_max: int = 4500$/;" v class:OutlierDetectionConfig typeref:typename:int -outlier_min agents/stream/config.py /^ outlier_min: int = 3000$/;" v class:OutlierDetectionConfig typeref:typename:int -outlier_selection agents/stream/config.py /^ outlier_selection: str = "rmsd"$/;" v class:OutlierDetectionConfig typeref:typename:str -outliers_dir sim/openmm_stream/config.py /^ outliers_dir: Path = Path()$/;" v class:OpenMMConfig typeref:typename:Path -outliers_from_latent agents/stream/dbscan.py /^def outliers_from_latent($/;" f typeref:typename:np.ndarray -output_path config.py /^ output_path: Path = Path("set_by_deepdrivemd")$/;" v class:BaseTaskConfig typeref:typename:Path -output_path models/aae_stream/config.py /^ output_path: Path = Path("TODO")$/;" v class:Point3dAAEConfig typeref:typename:Path -parse_args agents/lof/lof.py /^def parse_args() -> argparse.Namespace:$/;" f typeref:typename:argparse.Namespace -parse_args agents/stream/dbscan.py /^def parse_args() -> argparse.Namespace:$/;" f typeref:typename:argparse.Namespace -parse_args models/aae/train.py /^def parse_args() -> argparse.Namespace:$/;" f typeref:typename:argparse.Namespace -parse_args utils.py /^def parse_args() -> argparse.Namespace:$/;" f typeref:typename:argparse.Namespace -parse_h5 data/utils.py /^def parse_h5(path: PathLike, fields: List[str]) -> Dict[str, "npt.ArrayLike"]:$/;" f typeref:typename:Dict[str,"npt.ArrayLike"] -pd agents/stream/dbscan.py /^import pandas as pd$/;" I nameref:module:pandas -pd models/keras_cvae/model.py /^import pandas as pd$/;" I nameref:module:pandas -pd sim/openmm_stream/run_openmm.py /^import pandas as pd$/;" I nameref:module:pandas -pdb sim/lammps/ase_lammps_test.py /^pdb = Path(cwd,"..\/..\/..\/data\/h2co\/system\/h2co-unfolded.pdb")$/;" v -pdb sim/lammps/main_ase_lammps.py /^pdb = sys.argv[1]$/;" v -pdb_file config.py /^ pdb_file: Optional[Path] = Path("set_by_deepdrivemd")$/;" v class:MolecularDynamicsTaskConfig typeref:typename:Optional[Path] -pdb_file sim/nwchem/run_nwchem.py /^ def pdb_file(self) -> str:$/;" m class:SimulationContext typeref:typename:str -pdb_file sim/openmm/run_openmm.py /^ def pdb_file(self) -> str:$/;" m class:SimulationContext typeref:typename:str -perturb_mol sim/nwchem/ase_nwchem.py /^def perturb_mol(number: int, pdb: PathLike) -> List[PathLike]:$/;" f typeref:typename:List[PathLike] -pickle_db sim/openmm_stream/config.py /^ pickle_db: Path = Path()$/;" v class:OpenMMConfig typeref:typename:Path -pipeline_manager deepdrivemd.py /^ pipeline_manager = PipelineManager(cfg)$/;" v -pipeline_manager deepdrivemd_stream.py /^ pipeline_manager = PipelineManager(cfg)$/;" v -pipelines deepdrivemd.py /^ pipelines = pipeline_manager.generate_pipelines()$/;" v -pipelines deepdrivemd_stream.py /^ pipelines = pipeline_manager.generate_pipelines()$/;" v -point_cloud aggregation/basic/config.py /^ point_cloud: bool = True$/;" v class:BasicAggegation typeref:typename:bool -point_cloud sim/lammps/config.py /^ point_cloud: bool = True$/;" v class:LAMMPSConfig typeref:typename:bool -point_cloud sim/nwchem/config.py /^ point_cloud: bool = True$/;" v class:NWChemConfig typeref:typename:bool -point_cloud sim/openmm/config.py /^ point_cloud: bool = True$/;" v class:OpenMMConfig typeref:typename:bool -pool agents/stream/dbscan.py /^pool = Pool(39)$/;" v -pre_exec config.py /^ pre_exec: List[str] = []$/;" v class:BaseStageConfig typeref:typename:List[str] -predict agents/stream/dbscan.py /^def predict($/;" f typeref:typename:np.ndarray -prefetch_factor models/aae_stream/config.py /^ prefetch_factor: int = 2$/;" v class:Point3dAAEConfig typeref:typename:int -prepare_simulation sim/openmm_stream/run_openmm.py /^def prepare_simulation( # noqa$/;" f typeref:typename:bool -preprocess models/keras_cvae/train.py /^def preprocess($/;" f typeref:typename:Tuple["npt.ArrayLike","npt.ArrayLike"] -print data/stream/OutlierDB.py /^ def print(self, n: int = 5):$/;" m class:OutlierDB -process_type_check config.py /^ def process_type_check(cls, v: Optional[str]) -> Optional[str]:$/;" m class:CPUReqs typeref:typename:Optional[str] -process_type_check config.py /^ def process_type_check(cls, v: Optional[str]) -> Optional[str]:$/;" m class:GPUReqs typeref:typename:Optional[str] -processes config.py /^ processes: int = 0$/;" v class:GPUReqs typeref:typename:int -processes config.py /^ processes: int = 1$/;" v class:CPUReqs typeref:typename:int -project agents/stream/dbscan.py /^def project(cfg: OutlierDetectionConfig):$/;" f -project_gpu agents/stream/config.py /^ project_gpu: bool = False$/;" v class:OutlierDetectionConfig typeref:typename:bool -project_lastN agents/stream/config.py /^ project_lastN: int = 8000$/;" v class:OutlierDetectionConfig typeref:typename:int -project_mini agents/stream/dbscan.py /^def project_mini(cfg: OutlierDetectionConfig, trajectory: str):$/;" f -project_tsne_2D agents/stream/dbscan.py /^def project_tsne_2D(cfg: OutlierDetectionConfig):$/;" f -project_tsne_3D agents/stream/dbscan.py /^def project_tsne_3D(cfg: OutlierDetectionConfig):$/;" f -publish agents/stream/dbscan.py /^def publish(tmp_dir: Path, published_dir: Path):$/;" f -random_outliers agents/stream/dbscan.py /^def random_outliers($/;" f typeref:typename:Dict[str,Union[np.ndarray,str,int,float]] -raw_to_deepmd sim/nwchem/ase_nwchem.py /^def raw_to_deepmd(deepmd_source_dir: PathLike) -> None:$/;" f typeref:typename:None -read_adios_file models/aae_stream/utils.py /^def read_adios_file(input_path: Path):$/;" f -read_batch agents/stream/config.py /^ read_batch: int = 10000$/;" v class:OutlierDetectionConfig typeref:typename:int -read_batch models/aae_stream/config.py /^ read_batch: int = 10000$/;" v class:Point3dAAEConfig typeref:typename:int -read_batch models/keras_cvae_stream/config.py /^ read_batch: int = 10000$/;" v class:KerasCVAEModelConfig typeref:typename:int -read_lastN agents/stream/dbscan.py /^def read_lastN( # noqa$/;" f typeref:typename:Tuple[np.ndarray,np.ndarray] -read_step data/stream/adios_utils.py /^ def read_step(self, sim_task_id: int) -> bool:$/;" m class:AdiosStreamStepRW typeref:typename:bool -read_task_json data/api.py /^ def read_task_json($/;" m class:Stage_API typeref:typename:Optional[List[Dict[str,Any]]] -read_trajectory sim/nwchem/nwchem.py /^def read_trajectory(topology: PathLike, trajectory: PathLike) -> None:$/;" f typeref:typename:None -ref_pdb_file agents/stream/config.py /^ ref_pdb_file: Path = Path()$/;" v class:OutlierDetectionConfig typeref:typename:Path -reference_pdb_file sim/nwchem/run_nwchem.py /^ def reference_pdb_file(self) -> Optional[str]:$/;" m class:SimulationContext typeref:typename:Optional[str] -reference_pdb_file sim/openmm/run_openmm.py /^ def reference_pdb_file(self) -> Optional[str]:$/;" m class:SimulationContext typeref:typename:Optional[str] -reinit models/aae_stream/config.py /^ reinit: bool = False$/;" v class:Point3dAAEConfig typeref:typename:bool -reinit models/keras_cvae_stream/config.py /^ reinit: bool = True$/;" v class:KerasCVAEModelConfig typeref:typename:bool -replace_restart_file sim/nwchem/nwchem.py /^def replace_restart_file() -> None:$/;" f typeref:typename:None -report sim/openmm_stream/openmm_reporter.py /^ def report(self, simulation, state):$/;" m class:ContactMapReporter -report_interval_ps sim/lammps/config.py /^ report_interval_ps: float = 0.002$/;" v class:LAMMPSConfig typeref:typename:float -report_interval_ps sim/nwchem/config.py /^ report_interval_ps: float = 0.002$/;" v class:NWChemConfig typeref:typename:float -report_interval_ps sim/openmm/config.py /^ report_interval_ps: float = 50$/;" v class:OpenMMConfig typeref:typename:float -report_interval_ps sim/openmm_stream/config.py /^ report_interval_ps: float = 50$/;" v class:OpenMMConfig typeref:typename:float -reporter deepdrivemd.py /^ reporter = ru.Reporter(name="radical.entk")$/;" v -reporter deepdrivemd_stream.py /^ reporter = ru.Reporter(name="radical.entk")$/;" v -resume_checkpoint models/aae_stream/config.py /^ resume_checkpoint: Optional[Path] = None$/;" v class:Point3dAAEConfig typeref:typename:Optional[Path] -retrain_freq config.py /^ retrain_freq: int = 1$/;" v class:MachineLearningStageConfig typeref:typename:int -retrain_freq selection/latest/config.py /^ retrain_freq: int = 1$/;" v class:LatestCheckpointConfig typeref:typename:int -return_embeddings models/keras_cvae/model.py /^ def return_embeddings($/;" m class:CVAE typeref:typename:"npt.ArrayLike" -rmsd aggregation/basic/config.py /^ rmsd: bool = True$/;" v class:BasicAggegation typeref:typename:bool -rmsd_name models/aae/config.py /^ rmsd_name: str = "rmsd"$/;" v class:AAEModelConfig typeref:typename:str -rp NWchem_Adapt.py /^import radical.pilot as rp$/;" I nameref:module:radical.pilot -rp NWchem_T1.py /^import radical.pilot as rp$/;" I nameref:module:radical.pilot -rp NWchem_sync.py /^import radical.pilot as rp$/;" I nameref:module:radical.pilot -rst_file sim/nwchem/run_nwchem.py /^ def rst_file(self) -> Optional[str]:$/;" m class:SimulationContext typeref:typename:Optional[str] -rst_suffix sim/nwchem/config.py /^ rst_suffix: Optional[str] = ".rst" # Restart suffix$/;" v class:NWChemConfig typeref:typename:Optional[str] -ru NWchem_Adapt.py /^import radical.utils as ru$/;" I nameref:module:radical.utils -ru NWchem_T1.py /^import radical.utils as ru$/;" I nameref:module:radical.utils -ru NWchem_sync.py /^import radical.utils as ru$/;" I nameref:module:radical.utils -ru deepdrivemd.py /^import radical.utils as ru # type: ignore[import]$/;" I nameref:module:radical.utils -ru deepdrivemd_stream.py /^import radical.utils as ru$/;" I nameref:module:radical.utils -run_dbscan agents/lof/lof.py /^def run_dbscan(data: "npt.ArrayLike", eps: float = 0.35) -> "npt.ArrayLike":$/;" f typeref:typename:"npt.ArrayLike" -run_lof agents/stream/dbscan.py /^def run_lof(data: np.ndarray) -> np.ndarray:$/;" f typeref:typename:np.ndarray -run_nwchem sim/nwchem/ase_nwchem.py /^def run_nwchem(nwchem_top: PathLike, inpf: PathLike, outf: PathLike) -> None:$/;" f typeref:typename:None -run_nwchem sim/nwchem/nwchem.py /^def run_nwchem(nwchem_top: PathLike, tag: str) -> None:$/;" f typeref:typename:None -run_simulation sim/nwchem/run_nwchem.py /^def run_simulation(cfg: NWChemConfig) -> None:$/;" f typeref:typename:None -run_simulation sim/openmm/run_openmm.py /^def run_simulation(cfg: OpenMMConfig) -> None:$/;" f typeref:typename:None -run_simulation sim/openmm_stream/run_openmm.py /^def run_simulation(cfg: OpenMMConfig):$/;" f -run_steps sim/nwchem/run_nwchem.py /^def run_steps($/;" f typeref:typename:None -runs_dir data/api.py /^ def runs_dir(self) -> Path:$/;" m class:Stage_API typeref:typename:Path -sample_interval models/aae/config.py /^ sample_interval: int = 20$/;" v class:AAEModelConfig typeref:typename:int -save models/keras_cvae/model.py /^ def save(self, filepath: str) -> None:$/;" m class:CVAE typeref:typename:None -scalar data/stream/enumerations.py /^ scalar = auto()$/;" v class:DataStructure -scalar_dset_names models/aae_stream/config.py /^ scalar_dset_names: List[str] = []$/;" v class:Point3dAAEConfig typeref:typename:List[str] -scalar_requires_grad models/aae_stream/config.py /^ scalar_requires_grad: bool = False$/;" v class:Point3dAAEConfig typeref:typename:bool -scoring_method_check agents/lof/config.py /^ def scoring_method_check(cls, values: Dict[str, Any]) -> Dict[str, Any]:$/;" m class:OutlierDetectionConfig typeref:typename:Dict[str,Any] -seed models/aae_stream/config.py /^ seed: int = 333$/;" v class:Point3dAAEConfig typeref:typename:int -select_best agents/stream/dbscan.py /^def select_best($/;" f typeref:typename:List[int] -select_best_random agents/stream/dbscan.py /^def select_best_random($/;" f typeref:typename:List[int] -set_argparse NWchem_Adapt.py /^ def set_argparse(self):$/;" m class:DDMD -set_argparse NWchem_T1.py /^ def set_argparse(self):$/;" m class:DDMD -set_checkpoint_file models/deepmd/deepmd.py /^ def set_checkpoint_file(self, newdisp_file: str) -> None:$/;" m class:DeePMDInput typeref:typename:None -set_displ_file models/deepmd/deepmd.py /^ def set_displ_file(self, newckpt_file: str) -> None:$/;" m class:DeePMDInput typeref:typename:None -set_resource NWchem_Adapt.py /^ def set_resource(self, res_desc):$/;" m class:DDMD -set_resource NWchem_T1.py /^ def set_resource(self, res_desc):$/;" m class:DDMD -set_sel models/deepmd/deepmd.py /^ def set_sel(self, newsel: List[int]) -> None:$/;" m class:DeePMDInput typeref:typename:None -set_training_systems models/deepmd/deepmd.py /^ def set_training_systems(self, newsystems: List[str]) -> None:$/;" m class:DeePMDInput typeref:typename:None -set_type_map models/deepmd/deepmd.py /^ def set_type_map(self, newtypemap: List[str]) -> None:$/;" m class:DeePMDInput typeref:typename:None -set_validation_systems models/deepmd/deepmd.py /^ def set_validation_systems(self, newsystems: List[str]) -> None:$/;" m class:DeePMDInput typeref:typename:None -setup_mpi utils.py /^def setup_mpi(comm: Optional[Any] = None) -> Tuple[int, int]:$/;" f typeref:typename:Tuple[int,int] -setup_mpi_comm utils.py /^def setup_mpi_comm(distributed: bool) -> Optional[Any]:$/;" f typeref:typename:Optional[Any] -setup_wandb models/aae/train.py /^def setup_wandb($/;" f typeref:typename:Optional[wandb.config] -shard_dataset models/aae/inference.py /^def shard_dataset(dataset: Dataset, comm_size: int, comm_rank: int) -> Dataset:$/;" f typeref:typename:Dataset -shuffle models/aae_stream/config.py /^ shuffle: bool = True$/;" v class:Point3dAAEConfig typeref:typename:bool -shuffle models/keras_cvae/config.py /^ shuffle: bool = True$/;" v class:KerasCVAEModelConfig typeref:typename:bool -shuffle models/keras_cvae_stream/config.py /^ shuffle: bool = True$/;" v class:KerasCVAEModelConfig typeref:typename:bool -simulation_length_ns sim/lammps/config.py /^ simulation_length_ns: float = 0.002$/;" v class:LAMMPSConfig typeref:typename:float -simulation_length_ns sim/nwchem/config.py /^ simulation_length_ns: float = 0.002$/;" v class:NWChemConfig typeref:typename:float -simulation_length_ns sim/openmm/config.py /^ simulation_length_ns: float = 10$/;" v class:OpenMMConfig typeref:typename:float -simulation_length_ns sim/openmm_stream/config.py /^ simulation_length_ns: float = 10$/;" v class:OpenMMConfig typeref:typename:float -skip_aggregation config.py /^ skip_aggregation: bool = False$/;" v class:AggregationStageConfig typeref:typename:bool -sklearn_num_jobs agents/lof/config.py /^ sklearn_num_jobs: int = -1$/;" v class:OutlierDetectionConfig typeref:typename:int -sleeptime_bpfiles aggregation/stream/config.py /^ sleeptime_bpfiles: int = 30$/;" v class:StreamAggregation typeref:typename:int -solvent_type sim/lammps/config.py /^ solvent_type: MDSolvent = MDSolvent.none$/;" v class:LAMMPSConfig typeref:typename:MDSolvent -solvent_type sim/nwchem/config.py /^ solvent_type: MDSolvent = MDSolvent.explicit$/;" v class:NWChemConfig typeref:typename:MDSolvent -solvent_type sim/openmm/config.py /^ solvent_type: MDSolvent = MDSolvent.implicit$/;" v class:OpenMMConfig typeref:typename:MDSolvent -solvent_type sim/openmm_stream/config.py /^ solvent_type: MDSolvent = MDSolvent.implicit$/;" v class:OpenMMConfig typeref:typename:MDSolvent -sparse_to_dense models/keras_cvae/utils.py /^def sparse_to_dense($/;" f typeref:typename:"npt.ArrayLike" -split_pct models/aae_stream/config.py /^ split_pct: float = 0.8$/;" v class:Point3dAAEConfig typeref:typename:float -split_pct models/keras_cvae/config.py /^ split_pct: float = 0.8$/;" v class:KerasCVAEModelConfig typeref:typename:float -split_pct models/keras_cvae_stream/config.py /^ split_pct: float = 0.8$/;" v class:KerasCVAEModelConfig typeref:typename:float -split_tvt sim/nwchem/ase_nwchem.py /^class split_tvt:$/;" c -splits sim/nwchem/ase_nwchem.py /^ splits = [0.8,0.9,1.0] # corresponds to 80% training, 10% validation, and 10% testing$/;" v class:split_tvt -stage NWchem_Adapt.py /^ stage = 0 # 0 no tasks started$/;" v class:DDMD -stage NWchem_T1.py /^ stage = 0 # 0 no tasks started$/;" v class:DDMD -stage NWchem_sync.py /^ stage = 0 # 0 no tasks started$/;" v class:DDMD -stage_dir data/api.py /^ def stage_dir(self, stage_idx: int = -1) -> Optional[Path]:$/;" m class:Stage_API typeref:typename:Optional[Path] -stage_dir_count data/api.py /^ def stage_dir_count(self) -> int:$/;" m class:Stage_API typeref:typename:int -stage_idx config.py /^ stage_idx: int = 0$/;" v class:BaseTaskConfig typeref:typename:int -stage_idx models/aae_stream/config.py /^ stage_idx: int = 0$/;" v class:Point3dAAEConfig typeref:typename:int -stage_name data/api.py /^ def stage_name(stage_idx: int) -> str:$/;" m class:Stage_API typeref:typename:str -start NWchem_Adapt.py /^ def start(self):$/;" f -start NWchem_T1.py /^ def start(self):$/;" f -start NWchem_sync.py /^ def start(self):$/;" f -stop NWchem_Adapt.py /^ def stop(self):$/;" f -stop NWchem_T1.py /^ def stop(self):$/;" f -stop NWchem_sync.py /^ def stop(self):$/;" f -stream_name sim/openmm_stream/run_openmm.py /^ stream_name = os.path.basename(cfg.output_path)$/;" v -string data/stream/enumerations.py /^ string = auto()$/;" v class:DataStructure -struct sim/lammps/ase_lammps_test.py /^failed, struct = ase_lammps.lammps_questionable(0.1,0.3,freq)$/;" v -struct sim/lammps/main_ase_lammps.py /^failed, struct = ase_lammps.lammps_questionable(0.1,0.3,freq)$/;" v -t1Dto2D utils.py /^def t1Dto2D(B):$/;" f -t2Dto1D utils.py /^def t2Dto1D(A):$/;" f -task_dir data/api.py /^ def task_dir($/;" m class:Stage_API typeref:typename:Optional[Path] -task_idx config.py /^ task_idx: int = 0$/;" v class:BaseTaskConfig typeref:typename:int -task_idx models/aae_stream/config.py /^ task_idx: int = 0$/;" v class:Point3dAAEConfig typeref:typename:int -task_name data/api.py /^ def task_name(task_idx: int) -> str:$/;" m class:Stage_API typeref:typename:str -temperature_kelvin sim/lammps/config.py /^ temperature_kelvin: float = 310.0$/;" v class:LAMMPSConfig typeref:typename:float -temperature_kelvin sim/nwchem/config.py /^ temperature_kelvin: float = 310.0$/;" v class:NWChemConfig typeref:typename:float -temperature_kelvin sim/openmm/config.py /^ temperature_kelvin: float = 310.0$/;" v class:OpenMMConfig typeref:typename:float -temperature_kelvin sim/openmm_stream/config.py /^ temperature_kelvin: float = 310.0$/;" v class:OpenMMConfig typeref:typename:float -test_dat sim/nwchem/ase_nwchem_test.py /^test_dat = glob.glob("*.nwo")$/;" v -test_dat sim/nwchem/main3_nwchem.py /^test_dat = glob.glob("*.nwo")$/;" v -test_data sim/nwchem/ase_nwchem_test.py /^test_data = Path("..\/..\/..\/..\/data\/h2co\/system")$/;" v -test_data sim/nwchem/main1_nwchem.py /^test_data = Path("..\/..\/..\/..\/data\/h2co\/system")$/;" v -test_data sim/nwchem/main2_nwchem.py /^test_data = Path("..\/..\/..\/..\/data\/h2co\/system")$/;" v -test_data sim/nwchem/main3_nwchem.py /^test_data = Path("..\/..\/..\/..\/data\/h2co\/system")$/;" v -test_dir sim/lammps/ase_lammps_test.py /^test_dir = "test_dir"$/;" v -test_dir sim/lammps/main_ase_lammps.py /^test_dir = sys.argv[2]$/;" v -test_inp sim/nwchem/ase_nwchem_test.py /^ test_inp = instance.with_suffix(".nwi")$/;" v -test_inp sim/nwchem/ase_nwchem_test.py /^test_inp = "h2co.nwi"$/;" v -test_inp sim/nwchem/ase_nwchem_test_1.py /^ test_inp = instance.with_suffix(".nwi")$/;" v -test_inp sim/nwchem/main1_nwchem.py /^test_inp = "h2co.nwi"$/;" v -test_inp sim/nwchem/main2_nwchem.py /^test_inp = "h2co.nwi"$/;" v -test_inp sim/nwchem/main2_nwchem.py /^test_inp = instance.with_suffix(".nwi")$/;" v -test_inp sim/nwchem/main3_nwchem.py /^test_inp = "h2co.nwi"$/;" v -test_out sim/nwchem/ase_nwchem_test.py /^ test_out = instance.with_suffix(".nwo")$/;" v -test_out sim/nwchem/ase_nwchem_test.py /^test_out = "h2co.nwo"$/;" v -test_out sim/nwchem/ase_nwchem_test_1.py /^ test_out = instance.with_suffix(".nwo")$/;" v -test_out sim/nwchem/main1_nwchem.py /^test_out = "h2co.nwo"$/;" v -test_out sim/nwchem/main2_nwchem.py /^test_out = "h2co.nwo"$/;" v -test_out sim/nwchem/main2_nwchem.py /^test_out = instance.with_suffix(".nwo")$/;" v -test_out sim/nwchem/main3_nwchem.py /^test_out = "h2co.nwo"$/;" v -test_path sim/nwchem/ase_nwchem_test.py /^test_path = Path(".\/test_dir")$/;" v -test_path sim/nwchem/ase_nwchem_test_1.py /^test_path = Path(".\/test_dir")$/;" v -test_path sim/nwchem/main1_nwchem.py /^test_path = Path(".\/test_dir")$/;" v -test_path sim/nwchem/main2_nwchem.py /^test_path = Path(".\/test_dir")$/;" v -test_path sim/nwchem/main3_nwchem.py /^test_path = Path(".\/test_dir")$/;" v -test_path sim/nwchem/nwchem_test.py /^test_path = Path(".\/test_dir")$/;" v -test_pdb sim/nwchem/ase_nwchem_test.py /^test_pdb = Path(test_data,"h2co-unfolded.pdb")$/;" v -test_pdb sim/nwchem/main1_nwchem.py /^test_pdb = Path(test_data,"h2co-unfolded.pdb")$/;" v -test_pdb sim/nwchem/main2_nwchem.py /^test_pdb = Path(test_data,"h2co-unfolded.pdb")$/;" v -test_pdb sim/nwchem/main3_nwchem.py /^test_pdb = Path(test_data,"h2co-unfolded.pdb")$/;" v -test_pdb sim/nwchem/nwchem_test.py /^test_pdb = "..\/..\/..\/..\/data\/7cz4\/system\/7CZ4-unfolded.pdb"$/;" v -test_pdbs sim/nwchem/ase_nwchem_test_1.py /^test_pdbs = Path("..\/..\/lammps\/test_dir\/pdbs")$/;" v -tf models/keras_cvae/model.py /^import tensorflow as tf$/;" I nameref:module:tensorflow -thread_type_check config.py /^ def thread_type_check(cls, v: Optional[str]) -> Optional[str]:$/;" m class:CPUReqs typeref:typename:Optional[str] -thread_type_check config.py /^ def thread_type_check(cls, v: Optional[str]) -> Optional[str]:$/;" m class:GPUReqs typeref:typename:Optional[str] -threads_per_process config.py /^ threads_per_process: int = 0$/;" v class:GPUReqs typeref:typename:int -threads_per_process config.py /^ threads_per_process: int = 1$/;" v class:CPUReqs typeref:typename:int -threshold sim/lammps/config.py /^ threshold: float = 8.0$/;" v class:LAMMPSConfig typeref:typename:float -threshold sim/nwchem/config.py /^ threshold: float = 8.0$/;" v class:NWChemConfig typeref:typename:float -threshold sim/openmm/config.py /^ threshold: float = 8.0$/;" v class:OpenMMConfig typeref:typename:float -threshold sim/openmm_stream/config.py /^ threshold: float = 8.0$/;" v class:OpenMMConfig typeref:typename:float -timeout1 agents/stream/config.py /^ timeout1: int = 30$/;" v class:OutlierDetectionConfig typeref:typename:int -timeout1 models/aae_stream/config.py /^ timeout1: int = 30$/;" v class:Point3dAAEConfig typeref:typename:int -timeout1 models/keras_cvae_stream/config.py /^ timeout1: int = 30$/;" v class:KerasCVAEModelConfig typeref:typename:int -timeout2 agents/stream/config.py /^ timeout2: int = 10$/;" v class:OutlierDetectionConfig typeref:typename:int -timeout2 models/aae_stream/config.py /^ timeout2: int = 10$/;" v class:Point3dAAEConfig typeref:typename:int -timeout2 models/keras_cvae_stream/config.py /^ timeout2: int = 10$/;" v class:KerasCVAEModelConfig typeref:typename:int -timer utils.py /^def timer(label: str, start: int = 1, frameinfo: Optional[Traceback] = None) -> None:$/;" f typeref:typename:None -to_csv models/keras_cvae/model.py /^ def to_csv(self, path: PathLike) -> None:$/;" m class:LossHistory typeref:typename:None -top_file sim/nwchem/run_nwchem.py /^ def top_file(self) -> Optional[str]:$/;" m class:SimulationContext typeref:typename:Optional[str] -top_file sim/openmm/run_openmm.py /^ def top_file(self) -> Optional[str]:$/;" m class:SimulationContext typeref:typename:Optional[str] -top_file1 sim/openmm_stream/config.py /^ top_file1: Path = Path()$/;" v class:OpenMMConfig typeref:typename:Path -top_lof agents/stream/dbscan.py /^def top_lof($/;" f typeref:typename:Dict[str,Union[np.ndarray,str,int,float]] -top_outliers agents/stream/dbscan.py /^def top_outliers($/;" f typeref:typename:Dict[str,Union[np.ndarray,str,int,float]] -top_suffix sim/nwchem/config.py /^ top_suffix: Optional[str] = ".top" # Topology suffix$/;" v class:NWChemConfig typeref:typename:Optional[str] -top_suffix sim/openmm/config.py /^ top_suffix: Optional[str] = ".top"$/;" v class:OpenMMConfig typeref:typename:Optional[str] -top_suffix sim/openmm_stream/config.py /^ top_suffix: Optional[str] = ".top"$/;" v class:OpenMMConfig typeref:typename:Optional[str] -train models/aae_stream/train.py /^def train($/;" f -train models/deepmd/deepmd.py /^def train(train_path: PathLike, json_file: PathLike,$/;" f typeref:typename:None -train models/deepmd/main_deepmd.py /^train = sys.argv[1]$/;" v -train models/keras_cvae/model.py /^ def train($/;" m class:CVAE -train sim/lammps/ase_lammps_test.py /^train = Path(cwd,"..\/..\/models\/deepmd")$/;" v -train sim/lammps/main_ase_lammps.py /^train = Path(cwd,"..\/..\/models\/deepmd")$/;" v -train1 models/deepmd/deepmd_test.py /^train1 = Path(".\/train-1")$/;" v -train2 models/deepmd/deepmd_test.py /^train2 = Path(".\/train-2")$/;" v -train3 models/deepmd/deepmd_test.py /^train3 = Path(".\/train-3")$/;" v -train4 models/deepmd/deepmd_test.py /^train4 = Path(".\/train-4")$/;" v -train_model models/aae_stream/train.py /^def train_model($/;" f -training_or_validate_or_test sim/nwchem/ase_nwchem.py /^ def training_or_validate_or_test(self) -> str:$/;" m class:split_tvt typeref:typename:str -traj_file sim/nwchem/run_nwchem.py /^ def traj_file(self) -> str:$/;" m class:SimulationContext typeref:typename:str -traj_file sim/openmm/run_openmm.py /^ def traj_file(self) -> str:$/;" m class:SimulationContext typeref:typename:str -trajectories sim/lammps/ase_lammps_test.py /^trajectories = glob.glob("scratch\/trj_lammps*")$/;" v -trajectory sim/lammps/ase_lammps_test.py /^trajectory = Path(cwd,test_dir,"trj_lammps.dcd")$/;" v -trajectory sim/lammps/main_ase_lammps.py /^trajectory = Path(cwd,test_dir,"trj_lammps.dcd")$/;" v -transform models/aae_stream/utils.py /^ def transform(self, x: np.ndarray) -> np.ndarray:$/;" m class:CenterOfMassTransform typeref:typename:np.ndarray -tsne_interval models/aae/config.py /^ tsne_interval: int = 5$/;" v class:AAEModelConfig typeref:typename:int -u sim/nwchem/run_nwchem.py /^import openmm.unit as u # type: ignore[import]$/;" I nameref:module:openmm.unit -u sim/openmm/run_openmm.py /^import openmm.unit as u # type: ignore[import]$/;" I nameref:module:openmm.unit -u sim/openmm_stream/run_openmm.py /^import openmm.unit as u$/;" I nameref:module:openmm.unit -unique_name data/api.py /^ def unique_name(task_path: Path) -> str:$/;" m class:Stage_API typeref:typename:str -use_discriminator_bias models/aae/config.py /^ use_discriminator_bias: bool = True$/;" v class:AAEModelConfig typeref:typename:bool -use_encoder_bias models/aae/config.py /^ use_encoder_bias: bool = True$/;" v class:AAEModelConfig typeref:typename:bool -use_generator_bias models/aae/config.py /^ use_generator_bias: bool = True$/;" v class:AAEModelConfig typeref:typename:bool -use_model_checkpoint models/aae_stream/config.py /^ use_model_checkpoint = True$/;" v class:Point3dAAEConfig -use_model_checkpoint models/keras_cvae/config.py /^ use_model_checkpoint = False$/;" v class:KerasCVAEModelConfig -use_model_checkpoint models/keras_cvae_stream/config.py /^ use_model_checkpoint = True$/;" v class:KerasCVAEModelConfig -use_outliers agents/stream/config.py /^ use_outliers: bool = True$/;" v class:OutlierDetectionConfig typeref:typename:bool -use_random_outliers agents/stream/config.py /^ use_random_outliers: bool = False$/;" v class:OutlierDetectionConfig typeref:typename:bool -validate models/aae_stream/train.py /^def validate(valid_loader, model: AAE3d, device, cfg: Point3dAAEConfig):$/;" f -verbose aggregation/basic/config.py /^ verbose: bool = True$/;" v class:BasicAggegation typeref:typename:bool -wait_for_input agents/stream/dbscan.py /^def wait_for_input(cfg: OutlierDetectionConfig) -> List[str]:$/;" f typeref:typename:List[str] -wait_for_input models/aae_stream/train.py /^def wait_for_input(cfg: Point3dAAEConfig) -> List[str]:$/;" f typeref:typename:List[str] -wait_for_input models/keras_cvae_stream/train.py /^def wait_for_input(cfg: KerasCVAEModelConfig) -> List[str]:$/;" f typeref:typename:List[str] -wait_for_model agents/stream/dbscan.py /^def wait_for_model(cfg: OutlierDetectionConfig) -> str:$/;" f typeref:typename:str -wrap sim/lammps/config.py /^ wrap: bool = False$/;" v class:LAMMPSConfig typeref:typename:bool -wrap sim/nwchem/config.py /^ wrap: bool = False$/;" v class:NWChemConfig typeref:typename:bool -wrap sim/openmm/config.py /^ wrap: bool = False$/;" v class:OpenMMConfig typeref:typename:bool -write_adios_step sim/openmm_stream/openmm_reporter.py /^ def write_adios_step(self, output: Dict[str, np.ndarray]):$/;" m class:ContactMapReporter -write_db agents/stream/dbscan.py /^def write_db($/;" f typeref:typename:OutlierDB -write_pdb data/api.py /^ def write_pdb($/;" m class:DeepDriveMD_API typeref:typename:None -write_pdb_frame agents/stream/dbscan.py /^def write_pdb_frame($/;" f -write_pdb_frame_2 agents/stream/dbscan.py /^def write_pdb_frame_2($/;" f -write_step data/stream/adios_utils.py /^ def write_step($/;" m class:AdiosStreamStepRW -write_task_json data/api.py /^ def write_task_json($/;" m class:Stage_API typeref:typename:None -write_top_outliers agents/stream/dbscan.py /^def write_top_outliers($/;" f -zcentroid sim/openmm_stream/openmm_reporter.py /^ def zcentroid(self, positions):$/;" m class:ContactMapReporter -zcentroid_atoms sim/openmm_stream/config.py /^ zcentroid_atoms: Optional[str] = ""$/;" v class:OpenMMConfig typeref:typename:Optional[str] diff --git a/src/utils.py b/src/utils.py deleted file mode 100644 index a6076c2..0000000 --- a/src/utils.py +++ /dev/null @@ -1,159 +0,0 @@ -import argparse -import math -import sys -import time -from inspect import Traceback, currentframe, getframeinfo -from pathlib import Path -from types import TracebackType -from typing import TYPE_CHECKING, Any, Optional, Tuple, Type, Union - -import numpy as np - -if TYPE_CHECKING: - import numpy.typing as npt - -PathLike = Union[str, Path] - - -def setup_mpi_comm(distributed: bool) -> Optional[Any]: - if distributed: - # get communicator: duplicate from comm world - from mpi4py import MPI # type: ignore[import] - - return MPI.COMM_WORLD.Dup() - return None - - -def setup_mpi(comm: Optional[Any] = None) -> Tuple[int, int]: - comm_size = 1 - comm_rank = 0 - if comm is not None: - comm_size = comm.Get_size() - comm_rank = comm.Get_rank() - - return comm_size, comm_rank - - -def get_frameinfo() -> Traceback: - frame = currentframe() - if frame is not None: - f_back = frame.f_back - if f_back is not None: - frameinfo = getframeinfo(f_back) - assert frameinfo is not None - return frameinfo - - -def timer(label: str, start: int = 1, frameinfo: Optional[Traceback] = None) -> None: - # start = 1 - start, start = -1 - stop, start = 0 - neither - t = time.localtime() - gps = time.mktime(t) - readable = time.asctime(t) - if frameinfo is None: - frameinfo = get_frameinfo() - fractions = time.perf_counter() - print( - f"TLaBeL|{label}|{start}|{gps}|{readable}|{frameinfo.filename}|{frameinfo.lineno}|{fractions}" - ) - sys.stdout.flush() - - -class Timer: - def __init__(self, label: str): - self.label = label - - def __enter__(self) -> "Timer": - frameinfo = get_frameinfo() - timer(self.label, 1, frameinfo) - return self - - def __exit__( - self, - type: Optional[Type[BaseException]], - value: Optional[BaseException], - traceback: Optional[TracebackType], - ) -> None: - frameinfo = get_frameinfo() - timer(self.label, -1, frameinfo) - - -def bestk( - a: "npt.ArrayLike", k: int, smallest: bool = True -) -> Tuple["npt.ArrayLike", "npt.ArrayLike"]: - r"""Return the best `k` values and correspdonding indices. - - Parameters - ---------- - a : npt.ArrayLike - Array of dim (N,) - k : int - Specifies which element to partition upon. - smallest : bool - True if the best values are small (or most negative). - False if the best values are most positive. - - Returns - ------- - npt.ArrayLike - Of length `k` containing the `k` smallest values in `a`. - npt.ArrayLike - Of length `k` containing indices of input array `a` - coresponding to the `k` smallest values in `a`. - """ - _a = np.array(a) - # If larger values are considered best, make large values the smallest - # in order for the sort function to pick the best values. - arr = _a if smallest else -1 * _a - # Only sorts 1 element of `arr`, namely the element that is position - # k in the sorted array. The elements above and below the kth position - # are partitioned but not sorted. Returns the indices of the elements - # on the left hand side of the partition i.e. the top k. - best_inds = np.argpartition(arr, k)[:k] - # Get the associated values of the k-partition - best_values = arr[best_inds] - # Only sorts an array of size k - sort_inds = np.argsort(best_values) - return best_values[sort_inds], best_inds[sort_inds] - - -def t2Dto1D(A): - n, m = A.shape - B = np.zeros(int(n * (n - 1) / 2), dtype=np.uint8) - k = 0 - for i in range(n): - for j in range(i + 1, n): - B[k] = A[i, j] - k += 1 - return B - - -def t1Dto2D(B): - m = B.shape[0] - n = int((1 + math.sqrt(1 + 8 * m)) / 2) - A = np.ones((n, n), dtype=np.uint8) - k = 0 - for i in range(n): - for j in range(i + 1, n): - A[i, j] = B[k] - A[j, i] = B[k] - k += 1 - return A - - -def parse_args() -> argparse.Namespace: - parser = argparse.ArgumentParser() - parser.add_argument( - "-c", "--config", help="YAML config file", type=str, required=True - ) - args = parser.parse_args() - return args - - -def hash2intarray(h): - b = [int(h[4 * i : 4 * (i + 1)], 16) for i in range(len(h) // 4)] - return np.asarray(b, dtype=np.int64) - - -def intarray2hash(ia): - c = list(map(lambda x: "{0:#0{1}x}".format(x, 6).replace("0x", ""), ia)) - return "".join(c) diff --git a/src/aggregation/__init__.py b/tests/__init__.py similarity index 100% rename from src/aggregation/__init__.py rename to tests/__init__.py diff --git a/src/aggregation/basic/__init__.py b/tests/integration/__init__.py similarity index 100% rename from src/aggregation/basic/__init__.py rename to tests/integration/__init__.py diff --git a/tests/integration/test_integration.py b/tests/integration/test_integration.py new file mode 100644 index 0000000..1fc53f9 --- /dev/null +++ b/tests/integration/test_integration.py @@ -0,0 +1,17 @@ + +import asyncio +import pytest +from tests.unit.mock_manager import MockLearner +from concurrent.futures import ThreadPoolExecutor +from radical.asyncflow import ConcurrentExecutionBackend, WorkflowEngine + +@pytest.mark.asyncio +async def test_integration(): + engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) + asyncflow = await WorkflowEngine.create(engine) + manager = MockLearner(asyncflow=asyncflow) + + await manager.teach() + assert manager.registered_sims == {} + assert manager.sim_task_queue.empty() + await manager.close() \ No newline at end of file diff --git a/src/aggregation/stream/__init__.py b/tests/unit/__init__.py similarity index 100% rename from src/aggregation/stream/__init__.py rename to tests/unit/__init__.py diff --git a/tests/unit/mock_manager.py b/tests/unit/mock_manager.py new file mode 100644 index 0000000..d7b5a3b --- /dev/null +++ b/tests/unit/mock_manager.py @@ -0,0 +1,106 @@ +import pytest +import asyncio +import random +from ddmd.ddmd_manager import DDMD_manager +from unittest.mock import AsyncMock, MagicMock +#from unittest.mock import Mock + +# --------------------------- +# Minimal stubs for logger/learner +# --------------------------- +class DummyLogger: + def __init__(self): + self.info = MagicMock() + self.warning = MagicMock() + self.error = MagicMock() + self.task_started = MagicMock() + self.task_completed = MagicMock() + self.task_killed = MagicMock() + self.manager_exiting = MagicMock() + self.separator = MagicMock() + +class MockLearner(DDMD_manager): + """Dummy workflow for managing DDMD simulations, training, and predictions.""" + + def __init__(self, **kwargs): + + # Simulation/training config + self.max_sim_batch = kwargs.get('max_sim_batch', 4) + self.training_cores = kwargs.get('training_cores', 1) + self.sim_batch_size = self.max_sim_batch + self.training_cores + self.training_threshold = kwargs.get('training_threshold', 0.5) + self.prediction_threshold = kwargs.get('prediction_threshold', 0.5) + self.start_training_threshold = kwargs.get('start_training_threshold', 10) + self.training_epochs = kwargs.get('training_epochs', 1) + self.force_start_training = bool(kwargs.get("force_start_training", True)) + self.clean_unregistered_sims = bool(kwargs.get("clean_unregistered_sims", True)) + + self.iteration = 0 + self.retrain_model = self.training_epochs > 0 + self.sim_predictions = {} + + # Initialize parent class (sets up asyncflow, logger, queues, etc.) + asyncflow = kwargs.get('asyncflow') + super().__init__(asyncflow) + + # Register learner tasks + self._register_learner_tasks() + self.logger = DummyLogger() + + # -------------------------------------------------------------------------- + def check_prediction(self, *args, **kwargs): + """Return True if prediction < threshold (cancel simulation).""" + return kwargs['prediction'] < self.prediction_threshold + + # -------------------------------------------------------------------------- + async def collect_sim_inputs(self, n=5): + """Collect all simulation input files into task queue.""" + for i in range(n): + sim_tag = f'sim_{i}' + await self.sim_task_queue.put({'sim_tag': sim_tag}) + + # -------------------------------------------------------------------------- + async def check_training_data(self): + """Check if enough training data is available to start training.""" + return True + + # -------------------------------------------------------------------------- + async def del_files(self, sim_ind): + pass + + # -------------------------------------------------------------------------- + def _register_learner_tasks(self): + """Register learner tasks: simulation, training, active learning, prediction.""" + + @self.learner.simulation_task(as_executable=False) + async def simulation(*args, **kwargs): + await asyncio.sleep(5) + return True + self.simulation = simulation + + #@self.learner.prediction_task(as_executable=False) # will work after UQ branch of ROSE is finalized + @self.learner.utility_task(as_executable=False) + async def prediction(*args, **kwargs): + """Dummy prediction: assign random score to each sim.""" + sim_inds = kwargs["sim_inds"] + return {sim_ind: random.random() for sim_ind in sim_inds} + self.prediction = prediction + + + # -------------------------------------------------------------------------- + async def train_model(self): + pass + + +# @pytest.fixture +# def mock_execution_backend(): +# """Mock execution backend""" +# return Mock() + + +# @pytest.fixture +# def ddmd_workflow(mock_execution_backend): +# """Create an ImpressManager instance for testing""" +# manager = MockLearner(asyncflow=mock_execution_backend) +# manager.logger = Mock() # Mock the logger +# return manager \ No newline at end of file diff --git a/tests/unit/test_ddmd_manager.py b/tests/unit/test_ddmd_manager.py new file mode 100644 index 0000000..297fbb6 --- /dev/null +++ b/tests/unit/test_ddmd_manager.py @@ -0,0 +1,261 @@ +import asyncio +import pytest +from unittest.mock import AsyncMock, MagicMock, patch +from collections import OrderedDict +from tests.unit.mock_manager import MockLearner +from radical.asyncflow import WorkflowEngine +from rose import Learner +from concurrent.futures import ThreadPoolExecutor +from radical.asyncflow import ConcurrentExecutionBackend, WorkflowEngine + + +# --------------------------- +# Async helpers +# --------------------------- +def make_done_task(result="ok"): + async def _done(): return result + return asyncio.create_task(_done()) + +def make_failing_task(exc_msg="boom"): + async def _fail(): raise RuntimeError(exc_msg) + return asyncio.create_task(_fail()) + + +# # --------------------------- +# # Fixtures +# # --------------------------- + +# @pytest.fixture +# def mock_asyncflow(): +# mock = MagicMock(spec=WorkflowEngine) +# # manually add attributes that aren’t in WorkflowEngine +# #type(mock).task = MagicMock() +# #mock.task.return_value = "dummy_task" +# return mock + +# @pytest.fixture +# def manager(mock_asyncflow): +# return MockLearner(asyncflow=mock_asyncflow) + +# @pytest.fixture +# def learner(mock_asyncflow): +# mock = MagicMock(spec=Learner) +# type(mock).function_task = MagicMock() +# mock.function_task.return_value = "dummy_task" +# return mock +# --------------------------- +# Group 1: Simulation lifecycle +# --------------------------- +class TestSimulationLifecycle: + @pytest.mark.asyncio + async def test_submit_sims_registers_and_respects_batch(self): + engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) + asyncflow = await WorkflowEngine.create(engine) + manager = MockLearner(asyncflow=asyncflow) + + await manager.collect_sim_inputs(n=2) + manager.sim_batch_size = 2 + + await manager.submit_sims() + + assert len(manager.registered_sims) == 2 + assert manager.sim_task_queue.empty() + assert manager.sim_batch_size == 0 + manager.logger.task_started.assert_called() + + @pytest.mark.asyncio + async def test_monitor_sims_unregisters_done_and_increments_batch(self): + engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) + asyncflow = await WorkflowEngine.create(engine) + manager = MockLearner(asyncflow=asyncflow, max_sim_batch=1, training_cores=1) + done = make_done_task("done:sim_0") + running = manager.simulation(sim_inputs={"sim_tag": "sim_1"}) + manager.registered_sims["sim_0"] = done + manager.registered_sims["sim_1"] = running + + await asyncio.sleep(0) + await manager.monitor_sims() + + assert "sim_0" not in manager.registered_sims + assert "sim_1" in manager.registered_sims + assert manager.sim_batch_size == 3 #max_sim_batch + training_cores + 1 (sim_0 has completed) + manager.logger.task_completed.assert_called() + + @pytest.mark.asyncio + async def test_monitor_sims_logs_failures_and_unregs(self): + engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) + asyncflow = await WorkflowEngine.create(engine) + manager = MockLearner(asyncflow=asyncflow, max_sim_batch=1, training_cores=1) + failing = make_failing_task() + ok = make_done_task() + manager.registered_sims["sim_fail"] = failing + manager.registered_sims["sim_ok"] = ok + + with pytest.raises(RuntimeError): + await failing + await ok + + await manager.monitor_sims() + + assert "sim_fail" not in manager.registered_sims + assert "sim_ok" not in manager.registered_sims + assert manager.sim_batch_size == 4 #max_sim_batch + training_cores + 2 (both sims have completed) + manager.logger.error.assert_called() + + +# # --------------------------- +# # Group 2: Training behavior +# # --------------------------- +# class TestTrainingBehavior: +# @pytest.mark.asyncio +# @pytest.mark.parametrize( +# "_force_start_training, expected_queue_empty, expected_batch_min", +# [ +# (True, False, 1), +# (False, True, 0), +# ] +# ) +# async def test_monitor_training_data_param(self, _force_start_training, expected_queue_empty, expected_batch_min): +# engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) +# asyncflow = await WorkflowEngine.create(engine) +# manager = MockLearner(asyncflow=asyncflow) +# s0 = manager.simulation(sim_inputs={"sim_tag": "sim_0"}) +# s1 = manager.simulation(sim_inputs={"sim_tag": "sim_1"}) +# manager.registered_sims["sim_0"] = s0 +# manager.registered_sims["sim_1"] = s1 +# manager.training_cores = 1 +# manager._force_start_training = _force_start_training + +# await manager.monitor_training_data() + +# assert (manager.sim_task_queue.empty() == expected_queue_empty) +# assert manager.sim_batch_size >= expected_batch_min + +# if _force_start_training: +# manager.logger.task_killed.assert_called() +# else: +# manager.logger.task_killed.assert_not_called() + + +# --------------------------- +# Group 3: Cancel sims behavior +# --------------------------- +class TestCancelSimsBehavior: + @pytest.mark.asyncio + @pytest.mark.parametrize( + "predictions, clean_flag, expected_deleted, expected_remaining", + [ + ({"sim_0": 0.2, "sim_1": 0.8}, True, ["sim_0"], ["sim_1"]), + ({"sim_0": 0.6, "sim_1": 0.8}, True, [], ["sim_0", "sim_1"]), + ({"sim_0": 0.1, "sim_1": 0.7}, False, [], ["sim_1", "sim_0"]), + ({}, True, [], []), + ] + ) + async def test_cancel_sims_various_cases(self, predictions, clean_flag, expected_deleted, expected_remaining): + engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) + asyncflow = await WorkflowEngine.create(engine) + manager = MockLearner(asyncflow=asyncflow) + for tag in predictions.keys(): + task = manager.simulation(sim_inputs={"sim_tag": tag}) + manager.registered_sims[tag] = task + + manager.sim_predictions = predictions + manager.clean_unregistered_sims = clean_flag + + await manager.cancel_sims() + + for sim in expected_deleted: + assert sim not in manager.registered_sims.keys() + print(manager.registered_sims) + for sim in expected_remaining: + if predictions.get(sim, 1.0) >= 0.5 or not clean_flag: + assert sim in manager.registered_sims.keys() or not clean_flag + + assert manager.sim_batch_size >= len(expected_deleted) + + +# --------------------------- +# Group 4: Teach flow +# --------------------------- +class TestTeachFlow: + @pytest.mark.asyncio + async def test_teach_runs_full_cycle_and_exits(self): + engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) + asyncflow = await WorkflowEngine.create(engine) + manager = MockLearner(asyncflow=asyncflow) + manager.retrain_model = False + + await manager.teach() + + assert manager.sim_task_queue.empty() + assert not manager.registered_sims + manager.logger.manager_exiting.assert_called() + manager.logger.separator.assert_called() + + +# --------------------------- +# Group 5: Shutdown safety +# --------------------------- +class TestShutdownSafety: + @pytest.mark.asyncio + async def test_close_and_stop_are_safe(self): + engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) + asyncflow = await WorkflowEngine.create(engine) + manager = MockLearner(asyncflow=asyncflow) + await manager.close() + await manager.stop() + +# --------------------------- +# Group 6: File deletion +# --------------------------- +class TestDelFilesBehavior: + @pytest.mark.asyncio + async def test_del_files_records_multiple_deletions(self): + engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) + asyncflow = await WorkflowEngine.create(engine) + manager = MockLearner(asyncflow=asyncflow) + sims = ["sim_0", "sim_1", "sim_2"] + for sim in sims: + await manager.del_files(sim) + + for sim in sims: + assert sim not in manager.registered_sims.keys() + +# --------------------------- +# Group 7: Simulation queue edge cases +# --------------------------- +class TestSimulationQueueEdgeCases: + @pytest.mark.asyncio + async def test_submit_sims_with_empty_queue(self): + engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) + asyncflow = await WorkflowEngine.create(engine) + manager = MockLearner(asyncflow=asyncflow) + manager.sim_batch_size = 2 + await manager.submit_sims() + assert manager.sim_task_queue.empty() + + @pytest.mark.asyncio + async def test_submit_sims_with_partial_queue(self): + engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) + asyncflow = await WorkflowEngine.create(engine) + manager = MockLearner(asyncflow=asyncflow) + await manager.collect_sim_inputs(n=1) + manager.sim_batch_size = 3 + await manager.submit_sims() + + # Only 1 task submitted because queue has 1 + assert len(manager.registered_sims) == 1 + assert manager.sim_task_queue.empty() + + @pytest.mark.asyncio + async def test_submit_sims_with_batch_larger_than_queue(self): + engine = await ConcurrentExecutionBackend(ThreadPoolExecutor()) + asyncflow = await WorkflowEngine.create(engine) + manager = MockLearner(asyncflow=asyncflow) + await manager.collect_sim_inputs(n=2) + manager.sim_batch_size = 5 + await manager.submit_sims() + + # Queue had 2 inputs, sim_batch_size > queue + assert len(manager.registered_sims) == 2 + assert manager.sim_task_queue.empty() diff --git a/tox.ini b/tox.ini new file mode 100644 index 0000000..1ecfc2d --- /dev/null +++ b/tox.ini @@ -0,0 +1,36 @@ +[tox] +envlist = py39,py310,py311,py312,py313 +isolated_build = true + +# Unit test env +[testenv] +extras = dev +commands = pytest tests/unit {posargs} + +# Integration test +[testenv:{py39,py310,py311,py312,py313}-all] +extras = dev +setenv = + RADICAL_VERBOSE=DEBUG +commands_pre = + radical-stack +commands = pytest tests/integration {posargs} + +# Linting +[testenv:lint] +extras = lint +commands = + ruff check ddmd tests + ruff format --check ddmd tests + +# Formatting +[testenv:format] +extras = lint +commands = + ruff format ddmd tests + ruff check --fix ddmd tests + +# Coverage +[testenv:coverage] +extras = dev +commands = pytest --cov=ddmd --cov-report=html --cov-report=term {posargs}