diff --git a/examples/parameterize_peptide/generate_peptide_input_files.ipynb b/examples/parameterize_peptide/generate_peptide_input_files.ipynb index 9462c3e1..2d6d25d5 100644 --- a/examples/parameterize_peptide/generate_peptide_input_files.ipynb +++ b/examples/parameterize_peptide/generate_peptide_input_files.ipynb @@ -2,10 +2,26 @@ "cells": [ { "cell_type": "code", - "execution_count": 17, + "execution_count": 1, "id": "30557f01-a3d5-4860-972f-26ede5b26197", "metadata": {}, - "outputs": [], + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "/home/lenny/anaconda3/envs/pymol_builder/lib/python3.11/site-packages/mdtraj/formats/__init__.py:6: DeprecationWarning: 'xdrlib' is deprecated and slated for removal in Python 3.13\n", + " from .xtc import XTCTrajectoryFile\n", + "/home/lenny/anaconda3/envs/pymol_builder/lib/python3.11/site-packages/mdtraj/geometry/order.py:25: DeprecationWarning: pkg_resources is deprecated as an API. See https://setuptools.pypa.io/en/latest/pkg_resources.html\n", + " from pkg_resources import parse_version\n", + "/home/lenny/anaconda3/envs/pymol_builder/lib/python3.11/site-packages/pkg_resources/__init__.py:2871: DeprecationWarning: Deprecated call to `pkg_resources.declare_namespace('google')`.\n", + "Implementing implicit namespace packages (as specified in PEP 420) is preferred to `pkg_resources.declare_namespace`. See https://setuptools.pypa.io/en/latest/references/keywords.html#keyword-namespace-packages\n", + " declare_namespace(pkg)\n", + "/home/lenny/anaconda3/envs/pymol_builder/lib/python3.11/site-packages/mbuild/recipes/__init__.py:13: DeprecationWarning: SelectableGroups dict interface is deprecated. Use select.\n", + " entry_points = metadata.entry_points()[\"mbuild.plugins\"]\n" + ] + } + ], "source": [ "import pymol\n", "import mbuild as mb\n", @@ -22,7 +38,7 @@ }, { "cell_type": "code", - "execution_count": 18, + "execution_count": 2, "id": "d21904a8", "metadata": {}, "outputs": [], @@ -47,12 +63,12 @@ }, { "cell_type": "code", - "execution_count": 19, + "execution_count": 3, "id": "f1eb6921-ad90-4fda-9c88-505ec4e8b614", "metadata": {}, "outputs": [], "source": [ - "peptide_sequence = \"AAQAAAAQAA\"\n", + "peptide_sequence = \"AAQAAAAQAAAAQAA\"\n", "pymol.cmd.delete(\"all\")\n", "pymol.editor.fab(peptide_sequence, ss = 1, hydro=0)\n", "pymol.editor.attach_amino_acid(\"last name C\", 'nme', hydro=0)\n", @@ -61,25 +77,25 @@ "# Change the naming of NME CH3 to C, so it is consistent with AMBER\n", "pymol.cmd.alter(\"resn NME and name CH3\", \"name='C'\")\n", "pymol.cmd.set(\"pdb_conect_all\", \"off\")\n", - "pymol.cmd.save(os.path.join(output_dir, \"short_peptide.pdb\"))" + "pymol.cmd.save(os.path.join(output_dir, \"long_peptide.pdb\"))" ] }, { "cell_type": "code", - "execution_count": 20, + "execution_count": 4, "id": "18be188b", "metadata": {}, "outputs": [], "source": [ "# Remove extra TER group after terminal alanine\n", - "with open(os.path.join(output_dir, \"short_peptide.pdb\"), 'r') as fn:\n", + "with open(os.path.join(output_dir, \"long_peptide.pdb\"), 'r') as fn:\n", " lines = []\n", " for line in fn.readlines():\n", " if \"TER\" in line:\n", " continue\n", " else:\n", " lines.append(line)\n", - "with open(os.path.join(output_dir, \"short_peptide.pdb\"), 'w') as fn:\n", + "with open(os.path.join(output_dir, \"long_peptide.pdb\"), 'w') as fn:\n", " fn.writelines(lines)" ] }, @@ -95,15 +111,82 @@ }, { "cell_type": "code", - "execution_count": null, + "execution_count": 8, "id": "9807004c-350b-4fa0-b9af-cc925136ad9a", - "metadata": { - "scrolled": false - }, - "outputs": [], + "metadata": {}, + "outputs": [ + { + "data": { + "application/3dmoljs_load.v0": "
\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n jupyter labextension install jupyterlab_3dmol

\n
\n", + "text/html": [ + "
\n", + "

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n", + " jupyter labextension install jupyterlab_3dmol

\n", + "
\n", + "" + ] + }, + "metadata": {}, + "output_type": "display_data" + }, + { + "data": { + "text/plain": [ + "" + ] + }, + "execution_count": 8, + "metadata": {}, + "output_type": "execute_result" + } + ], "source": [ "# Use mbuild to visualize componenets\n", - "peptide = mb.load(os.path.join(output_dir, \"short_peptide.pdb\"))\n", + "peptide = mb.load(os.path.join(output_dir, \"long_peptide.pdb\"))\n", "peptide\n", "view = peptide.visualize(show_ports=True)\n", "style = {\n", @@ -116,13 +199,82 @@ }, { "cell_type": "code", - "execution_count": null, + "execution_count": 9, "id": "b45b3466", "metadata": {}, - "outputs": [], + "outputs": [ + { + "data": { + "application/3dmoljs_load.v0": "
\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n jupyter labextension install jupyterlab_3dmol

\n
\n", + "text/html": [ + "
\n", + "

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n", + " jupyter labextension install jupyterlab_3dmol

\n", + "
\n", + "" + ] + }, + "metadata": {}, + "output_type": "display_data" + }, + { + "data": { + "text/plain": [ + "" + ] + }, + "execution_count": 9, + "metadata": {}, + "output_type": "execute_result" + } + ], "source": [ "succynl = mb.load(\"O=C(O)CCC(=O)O\", smiles=True)\n", - "succynl.save(\"succ.pdb\", overwrite=True)\n", + "succynl.save(os.path.join(output_dir,\"succ.pdb\"), overwrite=True)\n", "succynl.remove(succynl[8])\n", "view = succynl.visualize()\n", "\n", @@ -138,13 +290,81 @@ }, { "cell_type": "code", - "execution_count": null, + "execution_count": 10, "id": "3ed09a97", "metadata": {}, - "outputs": [], + "outputs": [ + { + "data": { + "application/3dmoljs_load.v0": "
\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n jupyter labextension install jupyterlab_3dmol

\n
\n", + "text/html": [ + "
\n", + "

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n", + " jupyter labextension install jupyterlab_3dmol

\n", + "
\n", + "" + ] + }, + "metadata": {}, + "output_type": "display_data" + }, + { + "data": { + "text/plain": [ + "" + ] + }, + "execution_count": 10, + "metadata": {}, + "output_type": "execute_result" + } + ], "source": [ "nh3 = mb.load(\"N\", smiles=True)\n", - "nh3.save(\"nh3.pdb\", overwrite=True)\n", + "nh3.save(os.path.join(output_dir,\"nh3.pdb\"), overwrite=True)\n", "view = nh3.visualize()\n", "style = {\n", " \"stick\": {\"radius\": 0.2, \"color\": \"grey\"},\n", @@ -155,13 +375,80 @@ }, { "cell_type": "code", - "execution_count": null, + "execution_count": 11, "id": "aca96519", "metadata": {}, - "outputs": [], + "outputs": [ + { + "data": { + "application/3dmoljs_load.v0": "
\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n jupyter labextension install jupyterlab_3dmol

\n
\n", + "text/html": [ + "
\n", + "

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\n", + " jupyter labextension install jupyterlab_3dmol

\n", + "
\n", + "" + ] + }, + "metadata": {}, + "output_type": "display_data" + }, + { + "data": { + "text/plain": [ + "" + ] + }, + "execution_count": 11, + "metadata": {}, + "output_type": "execute_result" + } + ], "source": [ "h2o = mb.load(\"O\", smiles=True)\n", - "h2o.save(\"h2o.pdb\", overwrite=True)\n", + "h2o.save(os.path.join(output_dir,\"h2o.pdb\"), overwrite=True)\n", "h2o.visualize()" ] }, @@ -175,10 +462,25 @@ }, { "cell_type": "code", - "execution_count": null, + "execution_count": 12, "id": "9d1c4553", "metadata": {}, - "outputs": [], + "outputs": [ + { + "ename": "IndexError", + "evalue": "list index out of range", + "output_type": "error", + "traceback": [ + "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m", + "\u001b[0;31mIndexError\u001b[0m Traceback (most recent call last)", + "Cell \u001b[0;32mIn[12], line 3\u001b[0m\n\u001b[1;32m 1\u001b[0m chain \u001b[38;5;241m=\u001b[39m Polymer()\n\u001b[0;32m----> 3\u001b[0m \u001b[43mchain\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43madd_monomer\u001b[49m\u001b[43m(\u001b[49m\u001b[43mcompound\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m \u001b[49m\u001b[43mpeptide\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mindices\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m[\u001b[49m\u001b[38;5;241;43m0\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m128\u001b[39;49m\u001b[43m]\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mseparation\u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[38;5;241;43m0.15\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mreplace\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m=\u001b[39;49m\u001b[43m \u001b[49m\u001b[38;5;28;43;01mFalse\u001b[39;49;00m\u001b[43m)\u001b[49m\n\u001b[1;32m 4\u001b[0m chain\u001b[38;5;241m.\u001b[39madd_end_groups(compound \u001b[38;5;241m=\u001b[39m succynl,\n\u001b[1;32m 5\u001b[0m index \u001b[38;5;241m=\u001b[39m \u001b[38;5;241m2\u001b[39m,\n\u001b[1;32m 6\u001b[0m separation \u001b[38;5;241m=\u001b[39m \u001b[38;5;241m0.15\u001b[39m,\n\u001b[0;32m (...)\u001b[0m\n\u001b[1;32m 9\u001b[0m orientation\u001b[38;5;241m=\u001b[39m[\u001b[38;5;241m0.5\u001b[39m,\u001b[38;5;241m-\u001b[39m\u001b[38;5;241m0.5\u001b[39m,\u001b[38;5;241m0.5\u001b[39m]\n\u001b[1;32m 10\u001b[0m )\n\u001b[1;32m 12\u001b[0m chain\u001b[38;5;241m.\u001b[39madd_end_groups(compound \u001b[38;5;241m=\u001b[39m nh3,\n\u001b[1;32m 13\u001b[0m index \u001b[38;5;241m=\u001b[39m \u001b[38;5;241m2\u001b[39m,\n\u001b[1;32m 14\u001b[0m separation \u001b[38;5;241m=\u001b[39m \u001b[38;5;241m0.15\u001b[39m,\n\u001b[1;32m 15\u001b[0m label \u001b[38;5;241m=\u001b[39m \u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mtail\u001b[39m\u001b[38;5;124m\"\u001b[39m,\n\u001b[1;32m 16\u001b[0m duplicate \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;01mFalse\u001b[39;00m\n\u001b[1;32m 17\u001b[0m )\n", + "File \u001b[0;32m~/anaconda3/envs/pymol_builder/lib/python3.11/site-packages/mbuild/lib/recipes/polymer.py:279\u001b[0m, in \u001b[0;36mPolymer.add_monomer\u001b[0;34m(self, compound, indices, separation, orientation, replace)\u001b[0m\n\u001b[1;32m 276\u001b[0m comp \u001b[38;5;241m=\u001b[39m clone(compound)\n\u001b[1;32m 278\u001b[0m \u001b[38;5;28;01mfor\u001b[39;00m idx, label, orientation \u001b[38;5;129;01min\u001b[39;00m \u001b[38;5;28mzip\u001b[39m(indices, port_labels, orientation):\n\u001b[0;32m--> 279\u001b[0m \u001b[43m_add_port\u001b[49m\u001b[43m(\u001b[49m\u001b[43mcomp\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mlabel\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43midx\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mseparation\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43morientation\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mreplace\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 280\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m replace:\n\u001b[1;32m 281\u001b[0m remove_atom1 \u001b[38;5;241m=\u001b[39m comp[indices[\u001b[38;5;241m0\u001b[39m]]\n", + "File \u001b[0;32m~/anaconda3/envs/pymol_builder/lib/python3.11/site-packages/mbuild/lib/recipes/polymer.py:380\u001b[0m, in \u001b[0;36m_add_port\u001b[0;34m(compound, label, idx, separation, orientation, replace)\u001b[0m\n\u001b[1;32m 378\u001b[0m separation \u001b[38;5;241m=\u001b[39m np\u001b[38;5;241m.\u001b[39mlinalg\u001b[38;5;241m.\u001b[39mnorm(compound[idx]\u001b[38;5;241m.\u001b[39mpos \u001b[38;5;241m-\u001b[39m anchor\u001b[38;5;241m.\u001b[39mpos)\n\u001b[1;32m 379\u001b[0m \u001b[38;5;28;01melse\u001b[39;00m:\n\u001b[0;32m--> 380\u001b[0m anchor \u001b[38;5;241m=\u001b[39m \u001b[43mcompound\u001b[49m\u001b[43m[\u001b[49m\u001b[43midx\u001b[49m\u001b[43m]\u001b[49m\n\u001b[1;32m 382\u001b[0m port \u001b[38;5;241m=\u001b[39m Port(\n\u001b[1;32m 383\u001b[0m anchor\u001b[38;5;241m=\u001b[39manchor,\n\u001b[1;32m 384\u001b[0m orientation\u001b[38;5;241m=\u001b[39morientation,\n\u001b[1;32m 385\u001b[0m separation\u001b[38;5;241m=\u001b[39mseparation \u001b[38;5;241m/\u001b[39m \u001b[38;5;241m2\u001b[39m,\n\u001b[1;32m 386\u001b[0m )\n\u001b[1;32m 387\u001b[0m compound\u001b[38;5;241m.\u001b[39madd(port, label\u001b[38;5;241m=\u001b[39mlabel)\n", + "File \u001b[0;32m~/anaconda3/envs/pymol_builder/lib/python3.11/site-packages/mbuild/compound.py:3445\u001b[0m, in \u001b[0;36mCompound.__getitem__\u001b[0;34m(self, selection)\u001b[0m\n\u001b[1;32m 3443\u001b[0m \u001b[38;5;250m\u001b[39m\u001b[38;5;124;03m\"\"\"Get item from Compound.\"\"\"\u001b[39;00m\n\u001b[1;32m 3444\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28misinstance\u001b[39m(selection, \u001b[38;5;28mint\u001b[39m):\n\u001b[0;32m-> 3445\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;43mlist\u001b[39;49m\u001b[43m(\u001b[49m\u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mparticles\u001b[49m\u001b[43m(\u001b[49m\u001b[43m)\u001b[49m\u001b[43m)\u001b[49m\u001b[43m[\u001b[49m\u001b[43mselection\u001b[49m\u001b[43m]\u001b[49m\n\u001b[1;32m 3446\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28misinstance\u001b[39m(selection, \u001b[38;5;28mstr\u001b[39m):\n\u001b[1;32m 3447\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m selection \u001b[38;5;129;01mnot\u001b[39;00m \u001b[38;5;129;01min\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mlabels:\n", + "\u001b[0;31mIndexError\u001b[0m: list index out of range" + ] + } + ], "source": [ "chain = Polymer()\n", "\n", @@ -279,14 +581,14 @@ }, { "cell_type": "code", - "execution_count": 21, + "execution_count": 5, "id": "23af6d7e", "metadata": {}, "outputs": [], "source": [ "import subprocess\n", "\n", - "peptide_pdb_fn = os.path.join(output_dir, \"short_peptide.pdb\")" + "peptide_pdb_fn = os.path.join(output_dir, \"long_peptide.pdb\")" ] }, { @@ -301,7 +603,7 @@ }, { "cell_type": "code", - "execution_count": 22, + "execution_count": 6, "id": "b9aa94e7", "metadata": {}, "outputs": [ @@ -309,10 +611,9 @@ "name": "stderr", "output_type": "stream", "text": [ - "Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.\n", "\n", "==================================================\n", - "Summary of pdb4amber for: output/short_peptide.pdb\n", + "Summary of pdb4amber for: output/long_peptide.pdb\n", "===================================================\n", "\n", "----------Chains\n", @@ -327,15 +628,20 @@ "\n", "\n", "---------- Gaps (Renumbered Residues!)\n", - "gap of 4.091359 A between ACE 1 and ALA 3\n", - "gap of 3.227524 A between ALA 2 and GLN 4\n", + "gap of 4.090978 A between ACE 1 and ALA 3\n", + "gap of 3.227160 A between ALA 2 and GLN 4\n", "gap of 3.229751 A between ALA 3 and ALA 5\n", - "gap of 3.226663 A between GLN 4 and ALA 6\n", + "gap of 3.226545 A between GLN 4 and ALA 6\n", "gap of 3.227391 A between ALA 5 and ALA 7\n", - "gap of 3.226804 A between ALA 6 and ALA 8\n", + "gap of 3.226035 A between ALA 6 and ALA 8\n", "gap of 3.227061 A between ALA 7 and GLN 9\n", "gap of 3.229582 A between ALA 8 and ALA 10\n", - "gap of 3.227276 A between GLN 9 and ALA 11\n", + "gap of 3.227263 A between GLN 9 and ALA 11\n", + "gap of 3.227452 A between ALA 10 and ALA 12\n", + "gap of 3.227777 A between ALA 11 and ALA 13\n", + "gap of 3.226835 A between ALA 12 and GLN 14\n", + "gap of 3.229648 A between ALA 13 and ALA 15\n", + "gap of 3.226610 A between GLN 14 and ALA 16\n", "\n", "---------- Missing heavy atom(s)\n", "\n", @@ -348,7 +654,7 @@ "0" ] }, - "execution_count": 22, + "execution_count": 6, "metadata": {}, "output_type": "execute_result" } @@ -393,7 +699,7 @@ }, { "cell_type": "code", - "execution_count": 23, + "execution_count": 7, "id": "81e0c7e2", "metadata": {}, "outputs": [], @@ -424,7 +730,7 @@ }, { "cell_type": "code", - "execution_count": 24, + "execution_count": 16, "id": "31c9d94a", "metadata": {}, "outputs": [ @@ -432,30 +738,30 @@ "name": "stdout", "output_type": "stream", "text": [ - "-I: Adding /home/tfobe/anaconda3/envs/pymol_builder/dat/leap/prep to search path.\n", - "-I: Adding /home/tfobe/anaconda3/envs/pymol_builder/dat/leap/lib to search path.\n", - "-I: Adding /home/tfobe/anaconda3/envs/pymol_builder/dat/leap/parm to search path.\n", - "-I: Adding /home/tfobe/anaconda3/envs/pymol_builder/dat/leap/cmd to search path.\n", + "-I: Adding /home/lenny/anaconda3/envs/pymol_builder/dat/leap/prep to search path.\n", + "-I: Adding /home/lenny/anaconda3/envs/pymol_builder/dat/leap/lib to search path.\n", + "-I: Adding /home/lenny/anaconda3/envs/pymol_builder/dat/leap/parm to search path.\n", + "-I: Adding /home/lenny/anaconda3/envs/pymol_builder/dat/leap/cmd to search path.\n", "-f: Source output/tleap.in.\n", "\n", "Welcome to LEaP!\n", "(no leaprc in search path)\n", "Sourcing: ./output/tleap.in\n", - "----- Source: /home/tfobe/anaconda3/envs/pymol_builder/dat/leap/cmd/leaprc.protein.ff14SB\n", - "----- Source of /home/tfobe/anaconda3/envs/pymol_builder/dat/leap/cmd/leaprc.protein.ff14SB done\n", + "----- Source: /home/lenny/anaconda3/envs/pymol_builder/dat/leap/cmd/leaprc.protein.ff14SB\n", + "----- Source of /home/lenny/anaconda3/envs/pymol_builder/dat/leap/cmd/leaprc.protein.ff14SB done\n", "Log file: ./leap.log\n", - "Loading parameters: /home/tfobe/anaconda3/envs/pymol_builder/dat/leap/parm/parm10.dat\n", + "Loading parameters: /home/lenny/anaconda3/envs/pymol_builder/dat/leap/parm/parm10.dat\n", "Reading title:\n", "PARM99 + frcmod.ff99SB + frcmod.parmbsc0 + OL3 for RNA\n", - "Loading parameters: /home/tfobe/anaconda3/envs/pymol_builder/dat/leap/parm/frcmod.ff14SB\n", + "Loading parameters: /home/lenny/anaconda3/envs/pymol_builder/dat/leap/parm/frcmod.ff14SB\n", "Reading force field modification type file (frcmod)\n", "Reading title:\n", "ff14SB protein backbone and sidechain parameters\n", - "Loading library: /home/tfobe/anaconda3/envs/pymol_builder/dat/leap/lib/amino12.lib\n", - "Loading library: /home/tfobe/anaconda3/envs/pymol_builder/dat/leap/lib/aminoct12.lib\n", - "Loading library: /home/tfobe/anaconda3/envs/pymol_builder/dat/leap/lib/aminont12.lib\n", + "Loading library: /home/lenny/anaconda3/envs/pymol_builder/dat/leap/lib/amino12.lib\n", + "Loading library: /home/lenny/anaconda3/envs/pymol_builder/dat/leap/lib/aminoct12.lib\n", + "Loading library: /home/lenny/anaconda3/envs/pymol_builder/dat/leap/lib/aminont12.lib\n", "Loading PDB file: ./output/peptide_amber.pdb\n", - " total atoms in file: 126\n", + " total atoms in file: 183\n", "Checking Unit.\n", "Building topology.\n", "Building atom parameters.\n", @@ -463,7 +769,7 @@ "Building angle parameters.\n", "Building proper torsion parameters.\n", "Building improper torsion parameters.\n", - " total 26 improper torsions applied\n", + " total 38 improper torsions applied\n", "Building H-Bond parameters.\n", "Incorporating Non-Bonded adjustments.\n", "Not Marking per-residue atom chain types.\n", @@ -480,7 +786,7 @@ "0" ] }, - "execution_count": 24, + "execution_count": 16, "metadata": {}, "output_type": "execute_result" } @@ -501,40 +807,22 @@ }, { "cell_type": "code", - "execution_count": 25, + "execution_count": 17, "id": "80209164", "metadata": {}, "outputs": [ { - "name": "stderr", - "output_type": "stream", - "text": [ - "Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "/home/tfobe/Research/heteropolymer_simulations/examples/parameterize_peptide/output/peptide_amber.parm7 /home/tfobe/Research/heteropolymer_simulations/examples/parameterize_peptide/output/peptide_amber.rst7\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "{'gromacs': 'Converted'}\n" + "ename": "PermissionError", + "evalue": "[Errno 13] Permission denied: 'intermol-convert'", + "output_type": "error", + "traceback": [ + "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m", + "\u001b[0;31mPermissionError\u001b[0m Traceback (most recent call last)", + "Cell \u001b[0;32mIn[17], line 1\u001b[0m\n\u001b[0;32m----> 1\u001b[0m \u001b[43msubprocess\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mPopen\u001b[49m\u001b[43m(\u001b[49m\u001b[43m[\u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43mintermol-convert\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m-f\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m--amb_in\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mamb_parm_file\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mamb_rst_file\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[38;5;124;43m--gromacs\u001b[39;49m\u001b[38;5;124;43m\"\u001b[39;49m\u001b[43m]\u001b[49m\u001b[43m)\u001b[49m\u001b[38;5;241m.\u001b[39mwait()\n", + "File \u001b[0;32m~/anaconda3/envs/pymol_builder/lib/python3.11/subprocess.py:1026\u001b[0m, in \u001b[0;36mPopen.__init__\u001b[0;34m(self, args, bufsize, executable, stdin, stdout, stderr, preexec_fn, close_fds, shell, cwd, env, universal_newlines, startupinfo, creationflags, restore_signals, start_new_session, pass_fds, user, group, extra_groups, encoding, errors, text, umask, pipesize, process_group)\u001b[0m\n\u001b[1;32m 1022\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mtext_mode:\n\u001b[1;32m 1023\u001b[0m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mstderr \u001b[38;5;241m=\u001b[39m io\u001b[38;5;241m.\u001b[39mTextIOWrapper(\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mstderr,\n\u001b[1;32m 1024\u001b[0m encoding\u001b[38;5;241m=\u001b[39mencoding, errors\u001b[38;5;241m=\u001b[39merrors)\n\u001b[0;32m-> 1026\u001b[0m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43m_execute_child\u001b[49m\u001b[43m(\u001b[49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mexecutable\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mpreexec_fn\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mclose_fds\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1027\u001b[0m \u001b[43m \u001b[49m\u001b[43mpass_fds\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mcwd\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43menv\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1028\u001b[0m \u001b[43m \u001b[49m\u001b[43mstartupinfo\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mcreationflags\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mshell\u001b[49m\u001b[43m,\u001b[49m\n\u001b[1;32m 1029\u001b[0m \u001b[43m \u001b[49m\u001b[43mp2cread\u001b[49m\u001b[43m,\u001b[49m\u001b[43m 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1035\u001b[0m \u001b[38;5;28;01mexcept\u001b[39;00m:\n\u001b[1;32m 1036\u001b[0m \u001b[38;5;66;03m# Cleanup if the child failed starting.\u001b[39;00m\n\u001b[1;32m 1037\u001b[0m \u001b[38;5;28;01mfor\u001b[39;00m f \u001b[38;5;129;01min\u001b[39;00m \u001b[38;5;28mfilter\u001b[39m(\u001b[38;5;28;01mNone\u001b[39;00m, (\u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mstdin, \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mstdout, \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mstderr)):\n", + "File \u001b[0;32m~/anaconda3/envs/pymol_builder/lib/python3.11/subprocess.py:1950\u001b[0m, in \u001b[0;36mPopen._execute_child\u001b[0;34m(self, args, executable, preexec_fn, close_fds, pass_fds, cwd, env, startupinfo, creationflags, shell, p2cread, p2cwrite, c2pread, c2pwrite, errread, errwrite, restore_signals, gid, gids, uid, umask, start_new_session, process_group)\u001b[0m\n\u001b[1;32m 1948\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m errno_num \u001b[38;5;241m!=\u001b[39m \u001b[38;5;241m0\u001b[39m:\n\u001b[1;32m 1949\u001b[0m err_msg \u001b[38;5;241m=\u001b[39m os\u001b[38;5;241m.\u001b[39mstrerror(errno_num)\n\u001b[0;32m-> 1950\u001b[0m \u001b[38;5;28;01mraise\u001b[39;00m child_exception_type(errno_num, err_msg, err_filename)\n\u001b[1;32m 1951\u001b[0m \u001b[38;5;28;01mraise\u001b[39;00m child_exception_type(err_msg)\n", + "\u001b[0;31mPermissionError\u001b[0m: [Errno 13] Permission denied: 'intermol-convert'" ] - }, - { - "data": { - "text/plain": [ - "1" - ] - }, - "execution_count": 25, - "metadata": {}, - "output_type": "execute_result" } ], "source": [ @@ -551,58 +839,10 @@ }, { "cell_type": "code", - "execution_count": 26, + "execution_count": null, "id": "2e991844", "metadata": {}, - "outputs": [ - { - "data": { - "text/plain": [ - "" - ] - }, - "execution_count": 26, - "metadata": {}, - "output_type": "execute_result" - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Note that major changes are planned in future for editconf, to improve usability and utility.\n", - "Read 126 atoms\n", - "No velocities found\n", - " system size : 1.746 1.521 1.493 (nm)\n", - " center : 1.175 0.148 -0.955 (nm)\n", - " box vectors : 0.000 0.000 0.000 (nm)\n", - " box angles : 0.00 0.00 0.00 (degrees)\n", - " box volume : 0.00 (nm^3)\n", - " shift : 3.825 4.852 5.955 (nm)\n", - "new center : 5.000 5.000 5.000 (nm)\n", - "new box vectors : 10.000 10.000 10.000 (nm)\n", - "new box angles : 90.00 90.00 90.00 (degrees)\n", - "new box volume :1000.00 (nm^3)\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - " :-) GROMACS - gmx editconf, 2022.4 (-:\n", - "\n", - "Executable: /usr/local/bin/gmx\n", - "Data prefix: /usr/local\n", - "Working dir: /home/tfobe/Research/heteropolymer_simulations/examples/parameterize_peptide\n", - "Command line:\n", - " gmx editconf -f output/peptide_amber.pdb -box 10 -o output/peptide_amber.gro\n", - "\n", - "WARNING: all CONECT records are ignored\n", - "\n", - "GROMACS reminds you: \"I was told I'd never make it to VP rank because I was too outspoken. Maybe so, but I think men will always find an excuse for keeping women in their 'place.' So, let's make that place the executive suite and start more of our own companies.\" (Jean Bartik, ENIAC developer)\n", - "\n" - ] - } - ], + "outputs": [], "source": [ "subprocess.Popen([\"gmx\", \"editconf\", \"-f\", os.path.join(output_dir, \"peptide_amber.pdb\"), \"-box\", \"10\", \"-o\", os.path.join(output_dir, \"peptide_amber.gro\")])" ] @@ -632,7 +872,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.10.10" + "version": "3.11.5" } }, "nbformat": 4, diff --git a/examples/parameterize_peptide/output/peptide_amber.parm7 b/examples/parameterize_peptide/output/peptide_amber.parm7 index b56aac2b..6173ff15 100644 --- a/examples/parameterize_peptide/output/peptide_amber.parm7 +++ b/examples/parameterize_peptide/output/peptide_amber.parm7 @@ -1,11 +1,11 @@ -%VERSION VERSION_STAMP = V0001.000 DATE = 06/20/23 16:01:11 +%VERSION VERSION_STAMP = V0001.000 DATE = 09/22/23 12:48:37 %FLAG TITLE %FORMAT(20a4) default_name %FLAG POINTERS %FORMAT(10I8) - 126 7 63 62 138 84 274 249 0 0 - 654 12 62 84 249 15 33 38 9 0 + 183 7 91 91 200 124 400 372 0 0 + 958 17 91 124 372 15 33 38 9 0 0 0 0 0 0 0 0 0 17 0 0 %FLAG ATOM_NAME @@ -16,7 +16,10 @@ HE22C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O -N H C H1 H2 H3 +N H CA HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O +N H CA HA CB HB2 HB3 CG HG2 HG3 CD OE1 NE2 HE21HE22C O N H CA +HA CB HB1 HB2 HB3 C O N H CA HA CB HB1 HB2 HB3 C O N H C +H1 H2 H3 %FLAG CHARGE %FORMAT(5E16.8) 2.04636429E+00 -6.67300626E+00 2.04636429E+00 2.04636429E+00 1.08823576E+01 @@ -43,8 +46,19 @@ N H C H1 H2 H3 1.09880469E+00 1.09880469E+00 1.09880469E+00 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 6.14091510E-01 1.49969529E+00 -3.32556975E+00 1.09880469E+00 1.09880469E+00 1.09880469E+00 1.08841798E+01 -1.03484442E+01 - -7.57501011E+00 4.95464337E+00 -2.71512270E+00 1.77849648E+00 1.77849648E+00 - 1.77849648E+00 + -7.57501011E+00 4.95464337E+00 6.14091510E-01 1.49969529E+00 -3.32556975E+00 + 1.09880469E+00 1.09880469E+00 1.09880469E+00 1.08841798E+01 -1.03484442E+01 + -7.57501011E+00 4.95464337E+00 6.14091510E-01 1.49969529E+00 -3.32556975E+00 + 1.09880469E+00 1.09880469E+00 1.09880469E+00 1.08841798E+01 -1.03484442E+01 + -7.57501011E+00 4.95464337E+00 -5.64891300E-02 1.54889550E+00 -6.56002800E-02 + 3.11601330E-01 3.11601330E-01 -1.17533835E+00 6.41424960E-01 6.41424960E-01 + 1.26663207E+01 -1.10900918E+01 -1.71417176E+01 7.74629973E+00 7.74629973E+00 + 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 6.14091510E-01 + 1.49969529E+00 -3.32556975E+00 1.09880469E+00 1.09880469E+00 1.09880469E+00 + 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 6.14091510E-01 + 1.49969529E+00 -3.32556975E+00 1.09880469E+00 1.09880469E+00 1.09880469E+00 + 1.08841798E+01 -1.03484442E+01 -7.57501011E+00 4.95464337E+00 -2.71512270E+00 + 1.77849648E+00 1.77849648E+00 1.77849648E+00 %FLAG ATOMIC_NUMBER %FORMAT(10I8) 1 6 1 1 6 8 7 1 6 1 @@ -59,7 +73,13 @@ N H C H1 H2 H3 6 1 1 6 8 7 1 1 6 8 7 1 6 1 6 1 1 1 6 8 7 1 6 1 6 1 1 1 6 8 - 7 1 6 1 1 1 + 7 1 6 1 6 1 1 1 6 8 + 7 1 6 1 6 1 1 1 6 8 + 7 1 6 1 6 1 1 6 1 1 + 6 8 7 1 1 6 8 7 1 6 + 1 6 1 1 1 6 8 7 1 6 + 1 6 1 1 1 6 8 7 1 6 + 1 1 1 %FLAG MASS %FORMAT(5E16.8) 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.20100000E+01 @@ -86,8 +106,19 @@ N H C H1 H2 H3 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 - 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 - 1.00800000E+00 + 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 + 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 + 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 + 1.00800000E+00 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.60000000E+01 + 1.40100000E+01 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.20100000E+01 + 1.00800000E+00 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 + 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.00800000E+00 + 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 + 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 + 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 + 1.00800000E+00 1.20100000E+01 1.00800000E+00 1.00800000E+00 1.00800000E+00 + 1.20100000E+01 1.60000000E+01 1.40100000E+01 1.00800000E+00 1.20100000E+01 + 1.00800000E+00 1.00800000E+00 1.00800000E+00 %FLAG ATOM_TYPE_INDEX %FORMAT(10I8) 1 2 1 1 3 4 5 6 2 7 @@ -102,7 +133,13 @@ N H C H1 H2 H3 2 1 1 3 4 5 6 6 3 4 5 6 2 7 2 1 1 1 3 4 5 6 2 7 2 1 1 1 3 4 - 5 6 2 7 7 7 + 5 6 2 7 2 1 1 1 3 4 + 5 6 2 7 2 1 1 1 3 4 + 5 6 2 7 2 1 1 2 1 1 + 3 4 5 6 6 3 4 5 6 2 + 7 2 1 1 1 3 4 5 6 2 + 7 2 1 1 1 3 4 5 6 2 + 7 7 7 %FLAG NUMBER_EXCLUDED_ATOMS %FORMAT(10I8) 6 7 4 3 7 3 10 4 10 7 @@ -117,7 +154,13 @@ N H C H1 H2 H3 8 4 3 4 3 2 1 1 7 3 10 4 10 7 6 3 2 1 7 3 10 4 10 7 6 3 2 1 7 3 - 5 4 3 2 1 1 + 10 4 10 7 6 3 2 1 7 3 + 10 4 10 7 6 3 2 1 7 3 + 10 4 13 7 11 6 5 8 4 3 + 4 3 2 1 1 7 3 10 4 10 + 7 6 3 2 1 7 3 10 4 10 + 7 6 3 2 1 7 3 5 4 3 + 2 1 1 %FLAG NONBONDED_PARM_INDEX %FORMAT(10I8) 1 2 4 7 11 16 22 2 3 5 @@ -127,11 +170,11 @@ N H C H1 H2 H3 21 27 22 23 24 25 26 27 28 %FLAG RESIDUE_LABEL %FORMAT(20a4) -ACE ALA ALA GLN ALA ALA ALA ALA GLN ALA ALA NME +ACE ALA ALA GLN ALA ALA ALA ALA GLN ALA ALA ALA ALA GLN ALA ALA NME %FLAG RESIDUE_POINTER %FORMAT(10I8) 1 7 17 27 44 54 64 74 84 101 - 111 121 + 111 121 131 141 158 168 178 %FLAG BOND_FORCE_CONSTANT %FORMAT(5E16.8) 5.70000000E+02 4.90000000E+02 3.40000000E+02 3.17000000E+02 3.40000000E+02 @@ -249,8 +292,17 @@ ACE ALA ALA GLN ALA ALA ALA ALA GLN ALA ALA NME 10 255 258 5 249 252 8 312 315 3 312 318 3 312 321 3 306 309 5 300 303 8 342 345 3 342 348 3 342 351 - 3 336 339 5 330 333 8 366 369 14 - 366 372 14 366 375 14 360 363 8 + 3 336 339 5 330 333 8 372 375 3 + 372 378 3 372 381 3 366 369 5 360 + 363 8 402 405 3 402 408 3 402 411 + 3 396 399 5 390 393 8 456 459 8 + 456 462 8 441 444 10 441 447 10 432 + 435 10 432 438 10 426 429 5 420 423 + 8 483 486 3 483 489 3 483 492 3 + 477 480 5 471 474 8 513 516 3 513 + 519 3 513 522 3 507 510 5 501 504 + 8 537 540 14 537 543 14 537 546 14 + 531 534 8 %FLAG BONDS_WITHOUT_HYDROGEN %FORMAT(10I8) 12 15 1 12 18 2 3 12 4 42 @@ -271,7 +323,16 @@ ACE ALA ALA GLN ALA ALA ALA ALA GLN ALA ALA NME 249 255 9 324 327 1 324 330 2 306 312 6 306 324 7 300 306 9 354 357 1 354 360 2 336 342 6 336 354 7 - 330 336 9 360 366 15 + 330 336 9 384 387 1 384 390 2 366 + 372 6 366 384 7 360 366 9 414 417 + 1 414 420 2 396 402 6 396 414 7 + 390 396 9 465 468 1 465 471 2 450 + 453 1 450 456 2 441 450 11 432 441 + 12 426 432 13 426 465 7 420 426 9 + 495 498 1 495 501 2 477 483 6 477 + 495 7 471 477 9 525 528 1 525 531 + 2 507 513 6 507 525 7 501 507 9 + 531 537 15 %FLAG ANGLES_INC_HYDROGEN %FORMAT(10I8) 12 18 21 2 9 3 12 4 6 3 @@ -326,10 +387,34 @@ ACE ALA ALA GLN ALA ALA ALA ALA GLN ALA ALA NME 348 5 345 342 351 5 339 336 342 9 339 336 354 10 336 342 345 11 336 342 348 11 336 342 351 11 333 330 336 14 - 330 336 339 15 372 366 375 31 369 366 - 372 31 369 366 375 31 363 360 366 32 - 360 366 369 33 360 366 372 33 360 366 - 375 33 + 330 336 339 15 384 390 393 2 378 372 + 381 5 375 372 378 5 375 372 381 5 + 369 366 372 9 369 366 384 10 366 372 + 375 11 366 372 378 11 366 372 381 11 + 363 360 366 14 360 366 369 15 414 420 + 423 2 408 402 411 5 405 402 408 5 + 405 402 411 5 399 396 402 9 399 396 + 414 10 396 402 405 11 396 402 408 11 + 396 402 411 11 393 390 396 14 390 396 + 399 15 465 471 474 2 459 456 462 18 + 450 456 459 2 450 456 462 2 447 441 + 450 19 444 441 447 20 444 441 450 19 + 438 432 441 23 435 432 438 20 435 432 + 441 23 432 441 444 23 432 441 447 23 + 429 426 432 26 429 426 465 10 426 432 + 435 27 426 432 438 27 423 420 426 14 + 420 426 429 15 495 501 504 2 489 483 + 492 5 486 483 489 5 486 483 492 5 + 480 477 483 9 480 477 495 10 477 483 + 486 11 477 483 489 11 477 483 492 11 + 474 471 477 14 471 477 480 15 525 531 + 534 2 519 513 522 5 516 513 519 5 + 516 513 522 5 510 507 513 9 510 507 + 525 10 507 513 516 11 507 513 519 11 + 507 513 522 11 504 501 507 14 501 507 + 510 15 543 537 546 31 540 537 543 31 + 540 537 546 31 534 531 537 32 531 537 + 540 33 531 537 543 33 531 537 546 33 %FLAG ANGLES_WITHOUT_HYDROGEN %FORMAT(10I8) 15 12 18 1 12 18 24 3 3 12 @@ -363,9 +448,25 @@ ACE ALA ALA GLN ALA ALA ALA ALA GLN ALA ALA NME 327 324 330 1 324 330 336 3 312 306 324 8 306 324 327 12 306 324 330 13 300 306 312 16 300 306 324 17 357 354 - 360 1 354 360 366 30 342 336 354 8 + 360 1 354 360 366 3 342 336 354 8 336 354 357 12 336 354 360 13 330 336 - 342 16 330 336 354 17 + 342 16 330 336 354 17 387 384 390 1 + 384 390 396 3 372 366 384 8 366 384 + 387 12 366 384 390 13 360 366 372 16 + 360 366 384 17 417 414 420 1 414 420 + 426 3 402 396 414 8 396 414 417 12 + 396 414 420 13 390 396 402 16 390 396 + 414 17 468 465 471 1 465 471 477 3 + 453 450 456 1 441 450 453 21 441 450 + 456 22 432 426 465 24 432 441 450 25 + 426 432 441 28 426 465 468 12 426 465 + 471 13 420 426 432 29 420 426 465 17 + 498 495 501 1 495 501 507 3 483 477 + 495 8 477 495 498 12 477 495 501 13 + 471 477 483 16 471 477 495 17 528 525 + 531 1 525 531 537 30 513 507 525 8 + 507 525 528 12 507 525 531 13 501 507 + 513 16 501 507 525 17 %FLAG DIHEDRALS_INC_HYDROGEN %FORMAT(10I8) 15 12 18 21 1 15 12 -18 21 2 @@ -487,8 +588,7 @@ ACE ALA ALA GLN ALA ALA ALA ALA GLN ALA ALA NME 303 300 306 324 3 300 306 312 315 12 300 306 312 318 12 300 306 312 321 12 357 354 360 363 1 357 354 -360 363 2 - 354 360 366 369 3 354 360 366 372 3 - 354 360 366 375 3 351 342 336 354 12 + 354 360 366 369 3 351 342 336 354 12 348 342 336 354 12 345 342 336 354 12 339 336 342 345 12 339 336 342 348 12 339 336 342 351 12 339 336 354 357 10 @@ -497,14 +597,78 @@ ACE ALA ALA GLN ALA ALA ALA ALA GLN ALA ALA NME 333 330 336 339 3 333 330 336 342 3 333 330 336 354 3 330 336 342 345 12 330 336 342 348 12 330 336 342 351 12 + 387 384 390 393 1 387 384 -390 393 2 + 384 390 396 399 3 381 372 366 384 12 + 378 372 366 384 12 375 372 366 384 12 + 369 366 372 375 12 369 366 372 378 12 + 369 366 372 381 12 369 366 384 387 10 + 369 366 -384 387 3 369 366 -384 387 11 + 369 366 384 390 3 366 384 390 393 2 363 360 366 369 3 363 360 366 372 3 - 363 360 366 375 3 12 24 -18 -21 37 + 363 360 366 384 3 360 366 372 375 12 + 360 366 372 378 12 360 366 372 381 12 + 417 414 420 423 1 417 414 -420 423 2 + 414 420 426 429 3 411 402 396 414 12 + 408 402 396 414 12 405 402 396 414 12 + 399 396 402 405 12 399 396 402 408 12 + 399 396 402 411 12 399 396 414 417 10 + 399 396 -414 417 3 399 396 -414 417 11 + 399 396 414 420 3 396 414 420 423 2 + 393 390 396 399 3 393 390 396 402 3 + 393 390 396 414 3 390 396 402 405 12 + 390 396 402 408 12 390 396 402 411 12 + 468 465 471 474 1 468 465 -471 474 2 + 465 471 477 480 3 453 450 456 459 1 + 453 450 -456 459 2 453 450 456 462 1 + 453 450 -456 462 2 447 441 450 453 10 + 447 441 -450 453 3 447 441 -450 453 11 + 447 441 450 456 3 444 441 450 453 10 + 444 441 -450 453 3 444 441 -450 453 11 + 444 441 450 456 3 441 450 456 459 2 + 441 450 456 462 2 438 432 426 465 12 + 438 432 441 444 23 438 432 441 447 23 + 438 432 441 450 12 435 432 426 465 12 + 435 432 441 444 23 435 432 441 447 23 + 435 432 441 450 12 429 426 432 435 12 + 429 426 432 438 12 429 426 432 441 12 + 429 426 465 468 10 429 426 -465 468 3 + 429 426 -465 468 11 429 426 465 471 3 + 426 432 441 444 28 426 432 441 447 28 + 426 465 471 474 2 423 420 426 429 3 + 423 420 426 432 3 423 420 426 465 3 + 420 426 432 435 12 420 426 432 438 12 + 498 495 501 504 1 498 495 -501 504 2 + 495 501 507 510 3 492 483 477 495 12 + 489 483 477 495 12 486 483 477 495 12 + 480 477 483 486 12 480 477 483 489 12 + 480 477 483 492 12 480 477 495 498 10 + 480 477 -495 498 3 480 477 -495 498 11 + 480 477 495 501 3 477 495 501 504 2 + 474 471 477 480 3 474 471 477 483 3 + 474 471 477 495 3 471 477 483 486 12 + 471 477 483 489 12 471 477 483 492 12 + 528 525 531 534 1 528 525 -531 534 2 + 525 531 537 540 3 525 531 537 543 3 + 525 531 537 546 3 522 513 507 525 12 + 519 513 507 525 12 516 513 507 525 12 + 510 507 513 516 12 510 507 513 519 12 + 510 507 513 522 12 510 507 525 528 10 + 510 507 -525 528 3 510 507 -525 528 11 + 510 507 525 531 3 507 525 531 534 2 + 504 501 507 510 3 504 501 507 513 3 + 504 501 507 525 3 501 507 513 516 12 + 501 507 513 519 12 501 507 513 522 12 + 534 531 537 540 3 534 531 537 543 3 + 534 531 537 546 3 12 24 -18 -21 37 42 54 -48 -51 37 108 117 -114 -120 38 72 84 -78 -81 37 123 135 -129 -132 37 153 165 -159 -162 37 183 195 -189 -192 37 213 225 -219 -222 37 279 288 -285 -291 38 243 255 -249 -252 37 294 306 -300 -303 37 324 336 -330 -333 37 354 366 -360 -363 37 + 384 396 -390 -393 37 450 459 -456 -462 38 + 414 426 -420 -423 37 465 477 -471 -474 37 + 495 507 -501 -504 37 525 537 -531 -534 37 %FLAG DIHEDRALS_WITHOUT_HYDROGEN %FORMAT(10I8) 15 12 18 24 2 12 18 24 30 1 @@ -619,19 +783,80 @@ ACE ALA ALA GLN ALA ALA ALA ALA GLN ALA ALA NME 306 324 330 336 2 300 306 324 327 3 300 306 324 330 16 300 306 -324 330 17 300 306 -324 330 18 300 306 -324 330 6 - 357 354 360 366 2 342 336 354 357 3 + 357 354 360 366 2 354 360 366 372 1 + 354 360 -366 372 4 354 360 -366 372 5 + 354 360 -366 372 6 354 360 366 384 7 + 354 360 -366 384 8 354 360 -366 384 9 + 354 360 -366 384 6 342 336 354 357 3 342 336 354 360 13 342 336 -354 360 14 342 336 -354 360 15 342 336 -354 360 6 336 354 360 366 2 330 336 354 357 3 330 336 354 360 16 330 336 -354 360 17 330 336 -354 360 18 330 336 -354 360 6 - 3 18 -12 -15 36 24 48 -42 -45 36 - 54 78 -72 -75 36 84 129 -123 -126 36 - 99 114 -108 -111 36 135 159 -153 -156 36 - 165 189 -183 -186 36 195 219 -213 -216 36 - 225 249 -243 -246 36 255 300 -294 -297 36 - 270 285 -279 -282 36 306 330 -324 -327 36 - 336 360 -354 -357 36 + 387 384 390 396 2 384 390 396 402 1 + 384 390 -396 402 4 384 390 -396 402 5 + 384 390 -396 402 6 384 390 396 414 7 + 384 390 -396 414 8 384 390 -396 414 9 + 384 390 -396 414 6 372 366 384 387 3 + 372 366 384 390 13 372 366 -384 390 14 + 372 366 -384 390 15 372 366 -384 390 6 + 366 384 390 396 2 360 366 384 387 3 + 360 366 384 390 16 360 366 -384 390 17 + 360 366 -384 390 18 360 366 -384 390 6 + 417 414 420 426 2 414 420 426 432 1 + 414 420 -426 432 4 414 420 -426 432 5 + 414 420 -426 432 6 414 420 426 465 7 + 414 420 -426 465 8 414 420 -426 465 9 + 414 420 -426 465 6 402 396 414 417 3 + 402 396 414 420 13 402 396 -414 420 14 + 402 396 -414 420 15 402 396 -414 420 6 + 396 414 420 426 2 390 396 414 417 3 + 390 396 414 420 16 390 396 -414 420 17 + 390 396 -414 420 18 390 396 -414 420 6 + 468 465 471 477 2 465 471 477 483 1 + 465 471 -477 483 4 465 471 -477 483 5 + 465 471 -477 483 6 465 471 477 495 7 + 465 471 -477 495 8 465 471 -477 495 9 + 465 471 -477 495 6 441 432 426 465 19 + 441 432 -426 465 20 441 432 -426 465 21 + 441 432 -426 465 22 432 426 465 468 3 + 432 426 465 471 13 432 426 -465 471 14 + 432 426 -465 471 15 432 426 -465 471 6 + 432 441 450 453 7 432 441 450 456 24 + 432 441 -450 456 25 432 441 -450 456 26 + 432 441 -450 456 27 426 432 441 450 29 + 426 432 -441 450 30 426 432 -441 450 31 + 426 432 -441 450 32 426 465 471 477 2 + 420 426 432 441 33 420 426 -432 441 34 + 420 426 -432 441 21 420 426 -432 441 35 + 420 426 465 468 3 420 426 465 471 16 + 420 426 -465 471 17 420 426 -465 471 18 + 420 426 -465 471 6 498 495 501 507 2 + 495 501 507 513 1 495 501 -507 513 4 + 495 501 -507 513 5 495 501 -507 513 6 + 495 501 507 525 7 495 501 -507 525 8 + 495 501 -507 525 9 495 501 -507 525 6 + 483 477 495 498 3 483 477 495 501 13 + 483 477 -495 501 14 483 477 -495 501 15 + 483 477 -495 501 6 477 495 501 507 2 + 471 477 495 498 3 471 477 495 501 16 + 471 477 -495 501 17 471 477 -495 501 18 + 471 477 -495 501 6 528 525 531 537 2 + 513 507 525 528 3 513 507 525 531 13 + 513 507 -525 531 14 513 507 -525 531 15 + 513 507 -525 531 6 507 525 531 537 2 + 501 507 525 528 3 501 507 525 531 16 + 501 507 -525 531 17 501 507 -525 531 18 + 501 507 -525 531 6 3 18 -12 -15 36 + 24 48 -42 -45 36 54 78 -72 -75 36 + 84 129 -123 -126 36 99 114 -108 -111 36 + 135 159 -153 -156 36 165 189 -183 -186 36 + 195 219 -213 -216 36 225 249 -243 -246 36 + 255 300 -294 -297 36 270 285 -279 -282 36 + 306 330 -324 -327 36 336 360 -354 -357 36 + 366 390 -384 -387 36 396 420 -414 -417 36 + 426 471 -465 -468 36 441 456 -450 -453 36 + 477 501 -495 -498 36 507 531 -525 -528 36 %FLAG EXCLUDED_ATOMS_LIST %FORMAT(10I8) 2 3 4 5 6 7 3 4 5 6 @@ -697,9 +922,39 @@ ACE ALA ALA GLN ALA ALA ALA ALA GLN ALA ALA NME 115 116 117 118 119 120 121 122 123 115 116 117 118 119 120 121 116 117 118 119 120 121 117 118 119 118 119 119 120 121 - 122 123 124 125 126 121 122 123 122 123 - 124 125 126 123 124 125 126 124 125 126 - 125 126 126 0 + 122 123 124 125 129 121 122 123 122 123 + 124 125 126 127 128 129 130 131 123 124 + 125 129 124 125 126 127 128 129 130 131 + 132 133 125 126 127 128 129 130 131 126 + 127 128 129 130 131 127 128 129 128 129 + 129 130 131 132 133 134 135 139 131 132 + 133 132 133 134 135 136 137 138 139 140 + 141 133 134 135 139 134 135 136 137 138 + 139 140 141 142 143 135 136 137 138 139 + 140 141 136 137 138 139 140 141 137 138 + 139 138 139 139 140 141 142 143 144 145 + 156 141 142 143 142 143 144 145 146 147 + 148 156 157 158 143 144 145 156 144 145 + 146 147 148 149 150 151 156 157 158 159 + 160 145 146 147 148 156 157 158 146 147 + 148 149 150 151 152 153 156 157 158 147 + 148 149 150 151 156 148 149 150 151 156 + 149 150 151 152 153 154 155 156 150 151 + 152 153 151 152 153 152 153 154 155 153 + 154 155 154 155 155 0 157 158 159 160 + 161 162 166 158 159 160 159 160 161 162 + 163 164 165 166 167 168 160 161 162 166 + 161 162 163 164 165 166 167 168 169 170 + 162 163 164 165 166 167 168 163 164 165 + 166 167 168 164 165 166 165 166 166 167 + 168 169 170 171 172 176 168 169 170 169 + 170 171 172 173 174 175 176 177 178 170 + 171 172 176 171 172 173 174 175 176 177 + 178 179 180 172 173 174 175 176 177 178 + 173 174 175 176 177 178 174 175 176 175 + 176 176 177 178 179 180 181 182 183 178 + 179 180 179 180 181 182 183 180 181 182 + 183 181 182 183 182 183 183 0 %FLAG HBOND_ACOEF %FORMAT(5E16.8) @@ -717,7 +972,10 @@ H C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC HC C O -N H CT H1 H1 H1 +N H CX H1 CT HC HC HC C O N H CX H1 CT HC HC HC C O +N H CX H1 2C HC HC 2C HC HC C O N H H C O N H CX +H1 CT HC HC HC C O N H CX H1 CT HC HC HC C O N H CT +H1 H1 H1 %FLAG TREE_CHAIN_CLASSIFICATION %FORMAT(20a4) M M E E M E M E M E 3 E E E M E M E M E @@ -726,7 +984,10 @@ E M E M E M E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E E M E M E M E 3 E E 3 E E B E B E E M E M E M E 3 E E E M E M E M E 3 E E E M E -M E M E E E +M E M E 3 E E E M E M E M E 3 E E E M E +M E M E 3 E E 3 E E B E B E E M E M E M +E 3 E E E M E M E M E 3 E E E M E M E M +E E E %FLAG JOIN_ARRAY %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 @@ -741,7 +1002,13 @@ M E M E E E 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 %FLAG IROTAT %FORMAT(10I8) 0 0 0 0 0 0 0 0 0 0 @@ -756,7 +1023,13 @@ M E M E E E 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 0 0 0 0 0 0 0 + 0 0 0 %FLAG RADIUS_SET %FORMAT(1a80) modified Bondi radii (mbondi) @@ -786,8 +1059,19 @@ modified Bondi radii (mbondi) 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 - 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 - 1.30000000E+00 + 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 + 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 + 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 + 1.30000000E+00 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.50000000E+00 + 1.55000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.70000000E+00 + 1.30000000E+00 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 + 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.30000000E+00 + 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 + 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 + 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 + 1.30000000E+00 1.70000000E+00 1.30000000E+00 1.30000000E+00 1.30000000E+00 + 1.70000000E+00 1.50000000E+00 1.55000000E+00 1.30000000E+00 1.70000000E+00 + 1.30000000E+00 1.30000000E+00 1.30000000E+00 %FLAG SCREEN %FORMAT(5E16.8) 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 @@ -814,8 +1098,19 @@ modified Bondi radii (mbondi) 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 - 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 - 8.50000000E-01 + 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 + 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 + 7.90000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 7.20000000E-01 + 8.50000000E-01 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 + 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 8.50000000E-01 + 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 + 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 + 8.50000000E-01 7.20000000E-01 8.50000000E-01 8.50000000E-01 8.50000000E-01 + 7.20000000E-01 8.50000000E-01 7.90000000E-01 8.50000000E-01 7.20000000E-01 + 8.50000000E-01 8.50000000E-01 8.50000000E-01 %FLAG IPOL %FORMAT(1I8) 0 diff --git a/examples/parameterize_peptide/output/peptide_amber.pdb b/examples/parameterize_peptide/output/peptide_amber.pdb index db2b771e..cbe91126 100644 --- a/examples/parameterize_peptide/output/peptide_amber.pdb +++ b/examples/parameterize_peptide/output/peptide_amber.pdb @@ -1,140 +1,185 @@ -HETATM 1 H1 ACE 1 4.316 -2.673 -6.409 1.00 0.00 H -HETATM 2 CH3 ACE 1 3.619 -1.903 -6.077 1.00 0.00 C -HETATM 3 H2 ACE 1 3.281 -2.131 -5.066 1.00 0.00 H -HETATM 4 H3 ACE 1 2.761 -1.876 -6.749 1.00 0.00 H -HETATM 5 C ACE 1 4.311 -0.557 -6.086 1.00 0.00 C -HETATM 6 O ACE 1 3.889 0.373 -6.786 1.00 0.00 O -ATOM 7 N ALA 2 5.357 -0.375 -5.353 1.00 0.00 N -ATOM 8 H ALA 2 5.773 -1.082 -4.747 1.00 0.00 H -ATOM 9 CA ALA 2 6.033 0.919 -5.353 1.00 0.00 C -ATOM 10 HA ALA 2 5.803 1.477 -6.261 1.00 0.00 H -ATOM 11 CB ALA 2 5.525 1.711 -4.136 1.00 0.00 C -ATOM 12 HB1 ALA 2 6.012 2.686 -4.107 1.00 0.00 H -ATOM 13 HB2 ALA 2 4.446 1.847 -4.215 1.00 0.00 H -ATOM 14 HB3 ALA 2 5.756 1.163 -3.223 1.00 0.00 H -ATOM 15 C ALA 2 7.533 0.745 -5.353 1.00 0.00 C -ATOM 16 O ALA 2 8.268 1.379 -6.120 1.00 0.00 O -ATOM 17 N ALA 3 8.065 -0.092 -4.527 1.00 0.00 N -ATOM 18 H ALA 3 7.554 -0.664 -3.854 1.00 0.00 H -ATOM 19 CA ALA 3 9.516 -0.260 -4.528 1.00 0.00 C -ATOM 20 HA ALA 3 10.017 0.681 -4.300 1.00 0.00 H -ATOM 21 CB ALA 3 9.866 -1.290 -3.440 1.00 0.00 C -ATOM 22 HB1 ALA 3 10.945 -1.439 -3.414 1.00 0.00 H -ATOM 23 HB2 ALA 3 9.527 -0.925 -2.471 1.00 0.00 H -ATOM 24 HB3 ALA 3 9.374 -2.237 -3.663 1.00 0.00 H -ATOM 25 C ALA 3 10.013 -0.661 -5.896 1.00 0.00 C -ATOM 26 O ALA 3 10.985 -0.112 -6.428 1.00 0.00 O -ATOM 27 N GLN 4 9.405 -1.606 -6.530 1.00 0.00 N -ATOM 28 H GLN 4 8.596 -2.123 -6.184 1.00 0.00 H -ATOM 29 CA GLN 4 9.885 -1.994 -7.852 1.00 0.00 C -ATOM 30 HA GLN 4 10.912 -2.352 -7.775 1.00 0.00 H -ATOM 31 CB GLN 4 8.983 -3.125 -8.394 1.00 0.00 C -ATOM 32 HB2 GLN 4 8.984 -3.940 -7.671 1.00 0.00 H -ATOM 33 HB3 GLN 4 7.961 -2.751 -8.450 1.00 0.00 H -ATOM 34 CG GLN 4 9.371 -3.708 -9.793 1.00 0.00 C -ATOM 35 HG2 GLN 4 9.419 -2.875 -10.494 1.00 0.00 H -ATOM 36 HG3 GLN 4 10.379 -4.114 -9.711 1.00 0.00 H -ATOM 37 CD GLN 4 8.486 -4.791 -10.422 1.00 0.00 C -ATOM 38 OE1 GLN 4 8.735 -5.243 -11.530 1.00 0.00 O -ATOM 39 NE2 GLN 4 7.431 -5.227 -9.784 1.00 0.00 N -ATOM 40 HE21 GLN 4 7.207 -4.861 -8.858 1.00 0.00 H -ATOM 41 HE22 GLN 4 6.832 -5.933 -10.212 1.00 0.00 H -ATOM 42 C GLN 4 9.897 -0.813 -8.793 1.00 0.00 C -ATOM 43 O GLN 4 10.865 -0.559 -9.507 1.00 0.00 O -ATOM 44 N ALA 5 8.860 -0.048 -8.850 1.00 0.00 N -ATOM 45 H ALA 5 8.007 -0.169 -8.304 1.00 0.00 H -ATOM 46 CA ALA 5 8.872 1.094 -9.760 1.00 0.00 C -ATOM 47 HA ALA 5 9.008 0.768 -10.791 1.00 0.00 H -ATOM 48 CB ALA 5 7.514 1.805 -9.635 1.00 0.00 C -ATOM 49 HB1 ALA 5 7.491 2.665 -10.304 1.00 0.00 H -ATOM 50 HB2 ALA 5 6.715 1.114 -9.905 1.00 0.00 H -ATOM 51 HB3 ALA 5 7.372 2.140 -8.608 1.00 0.00 H -ATOM 52 C ALA 5 10.039 2.006 -9.467 1.00 0.00 C -ATOM 53 O ALA 5 10.775 2.438 -10.362 1.00 0.00 O -ATOM 54 N ALA 6 10.277 2.344 -8.245 1.00 0.00 N -ATOM 55 H ALA 6 9.736 2.044 -7.434 1.00 0.00 H -ATOM 56 CA ALA 6 11.405 3.226 -7.962 1.00 0.00 C -ATOM 57 HA ALA 6 11.291 4.180 -8.476 1.00 0.00 H -ATOM 58 CB ALA 6 11.433 3.476 -6.444 1.00 0.00 C -ATOM 59 HB1 ALA 6 12.267 4.134 -6.199 1.00 0.00 H -ATOM 60 HB2 ALA 6 10.499 3.945 -6.135 1.00 0.00 H -ATOM 61 HB3 ALA 6 11.553 2.527 -5.921 1.00 0.00 H -ATOM 62 C ALA 6 12.695 2.637 -8.482 1.00 0.00 C -ATOM 63 O ALA 6 13.504 3.306 -9.136 1.00 0.00 O -ATOM 64 N ALA 7 12.960 1.399 -8.236 1.00 0.00 N -ATOM 65 H ALA 7 12.364 0.761 -7.708 1.00 0.00 H -ATOM 66 CA ALA 7 14.207 0.830 -8.739 1.00 0.00 C -ATOM 67 HA ALA 7 15.068 1.363 -8.335 1.00 0.00 H -ATOM 68 CB ALA 7 14.268 -0.638 -8.283 1.00 0.00 C -ATOM 69 HB1 ALA 7 15.190 -1.093 -8.644 1.00 0.00 H -ATOM 70 HB2 ALA 7 14.243 -0.682 -7.194 1.00 0.00 H -ATOM 71 HB3 ALA 7 13.414 -1.180 -8.688 1.00 0.00 H -ATOM 72 C ALA 7 14.304 0.981 -10.239 1.00 0.00 C -ATOM 73 O ALA 7 15.328 1.398 -10.792 1.00 0.00 O -ATOM 74 N ALA 8 13.286 0.664 -10.966 1.00 0.00 N -ATOM 75 H ALA 8 12.396 0.311 -10.614 1.00 0.00 H -ATOM 76 CA ALA 8 13.380 0.809 -12.415 1.00 0.00 C -ATOM 77 HA ALA 8 14.185 0.193 -12.816 1.00 0.00 H -ATOM 78 CB ALA 8 12.044 0.342 -13.018 1.00 0.00 C -ATOM 79 HB1 ALA 8 12.081 0.438 -14.103 1.00 0.00 H -ATOM 80 HB2 ALA 8 11.869 -0.700 -12.752 1.00 0.00 H -ATOM 81 HB3 ALA 8 11.234 0.957 -12.627 1.00 0.00 H -ATOM 82 C ALA 8 13.728 2.229 -12.794 1.00 0.00 C -ATOM 83 O ALA 8 14.612 2.489 -13.620 1.00 0.00 O -ATOM 84 N GLN 9 13.085 3.200 -12.240 1.00 0.00 N -ATOM 85 H GLN 9 12.341 3.097 -11.549 1.00 0.00 H -ATOM 86 CA GLN 9 13.421 4.572 -12.606 1.00 0.00 C -ATOM 87 HA GLN 9 13.243 4.718 -13.671 1.00 0.00 H -ATOM 88 CB GLN 9 12.524 5.534 -11.795 1.00 0.00 C -ATOM 89 HB2 GLN 9 11.483 5.273 -11.983 1.00 0.00 H -ATOM 90 HB3 GLN 9 12.709 5.363 -10.734 1.00 0.00 H -ATOM 91 CG GLN 9 12.709 7.060 -12.087 1.00 0.00 C -ATOM 92 HG2 GLN 9 13.764 7.296 -11.948 1.00 0.00 H -ATOM 93 HG3 GLN 9 12.483 7.223 -13.141 1.00 0.00 H -ATOM 94 CD GLN 9 11.897 8.079 -11.277 1.00 0.00 C -ATOM 95 OE1 GLN 9 12.041 9.279 -11.448 1.00 0.00 O -ATOM 96 NE2 GLN 9 11.051 7.667 -10.367 1.00 0.00 N -ATOM 97 HE21 GLN 9 10.917 6.668 -10.210 1.00 0.00 H -ATOM 98 HE22 GLN 9 10.525 8.345 -9.815 1.00 0.00 H -ATOM 99 C GLN 9 14.883 4.857 -12.357 1.00 0.00 C -ATOM 100 O GLN 9 15.589 5.415 -13.195 1.00 0.00 O -ATOM 101 N ALA 10 15.408 4.503 -11.233 1.00 0.00 N -ATOM 102 H ALA 10 14.914 4.035 -10.473 1.00 0.00 H -ATOM 103 CA ALA 10 16.821 4.779 -10.994 1.00 0.00 C -ATOM 104 HA ALA 10 17.022 5.849 -11.047 1.00 0.00 H -ATOM 105 CB ALA 10 17.163 4.275 -9.581 1.00 0.00 C -ATOM 106 HB1 ALA 10 18.215 4.467 -9.371 1.00 0.00 H -ATOM 107 HB2 ALA 10 16.546 4.797 -8.849 1.00 0.00 H -ATOM 108 HB3 ALA 10 16.971 3.204 -9.520 1.00 0.00 H -ATOM 109 C ALA 10 17.683 4.151 -12.063 1.00 0.00 C -ATOM 110 O ALA 10 18.588 4.777 -12.628 1.00 0.00 O -ATOM 111 N ALA 11 17.467 2.924 -12.399 1.00 0.00 N -ATOM 112 H ALA 11 16.748 2.321 -11.999 1.00 0.00 H -ATOM 113 CA ALA 11 18.300 2.317 -13.432 1.00 0.00 C -ATOM 114 HA ALA 11 19.350 2.324 -13.138 1.00 0.00 H -ATOM 115 CB ALA 11 17.839 0.860 -13.608 1.00 0.00 C -ATOM 116 HB1 ALA 11 18.444 0.377 -14.376 1.00 0.00 H -ATOM 117 HB2 ALA 11 17.955 0.325 -12.665 1.00 0.00 H -ATOM 118 HB3 ALA 11 16.791 0.844 -13.908 1.00 0.00 H -ATOM 119 C ALA 11 18.233 3.110 -14.716 1.00 0.00 C -ATOM 120 O ALA 11 17.162 3.525 -15.175 1.00 0.00 O -HETATM 121 N NME 12 19.326 3.364 -15.352 1.00 0.00 N -HETATM 122 H NME 12 20.223 3.046 -15.014 1.00 0.00 H -HETATM 123 C NME 12 19.287 4.125 -16.588 1.00 0.00 C -HETATM 124 H1 NME 12 18.256 4.393 -16.818 1.00 0.00 H -HETATM 125 H2 NME 12 19.881 5.032 -16.476 1.00 0.00 H -HETATM 126 H3 NME 12 19.695 3.522 -17.399 1.00 0.00 H -TER 126 NME 12 -CONECT 1 2 -CONECT 2 1 3 4 5 -CONECT 3 2 -CONECT 4 2 -CONECT 5 2 6 7 -CONECT 6 5 -CONECT 121 119 122 123 -CONECT 122 121 -CONECT 123 121 124 125 126 -CONECT 124 123 -CONECT 125 123 -CONECT 126 123 +HETATM 1 H1 ACE 1 -1.718 -3.527 -1.548 1.00 0.00 H +HETATM 2 CH3 ACE 1 -2.415 -2.758 -1.215 1.00 0.00 C +HETATM 3 H2 ACE 1 -2.753 -2.987 -0.204 1.00 0.00 H +HETATM 4 H3 ACE 1 -3.273 -2.730 -1.887 1.00 0.00 H +HETATM 5 C ACE 1 -1.723 -1.412 -1.223 1.00 0.00 C +HETATM 6 O ACE 1 -2.146 -0.482 -1.923 1.00 0.00 O +ATOM 7 N ALA 2 -0.677 -1.230 -0.491 1.00 0.00 N +ATOM 8 H ALA 2 -0.260 -1.937 0.114 1.00 0.00 H +ATOM 9 CA ALA 2 -0.001 0.064 -0.491 1.00 0.00 C +ATOM 10 HA ALA 2 -0.231 0.622 -1.398 1.00 0.00 H +ATOM 11 CB ALA 2 -0.509 0.856 0.727 1.00 0.00 C +ATOM 12 HB1 ALA 2 -0.022 1.831 0.756 1.00 0.00 H +ATOM 13 HB2 ALA 2 -1.588 0.992 0.649 1.00 0.00 H +ATOM 14 HB3 ALA 2 -0.278 0.307 1.640 1.00 0.00 H +ATOM 15 C ALA 2 1.499 -0.110 -0.491 1.00 0.00 C +ATOM 16 O ALA 2 2.233 0.524 -1.257 1.00 0.00 O +ATOM 17 N ALA 3 2.031 -0.947 0.335 1.00 0.00 N +ATOM 18 H ALA 3 1.519 -1.519 1.007 1.00 0.00 H +ATOM 19 CA ALA 3 3.481 -1.115 0.335 1.00 0.00 C +ATOM 20 HA ALA 3 3.981 -0.174 0.564 1.00 0.00 H +ATOM 21 CB ALA 3 3.832 -2.145 1.422 1.00 0.00 C +ATOM 22 HB1 ALA 3 4.912 -2.293 1.448 1.00 0.00 H +ATOM 23 HB2 ALA 3 3.493 -1.781 2.392 1.00 0.00 H +ATOM 24 HB3 ALA 3 3.341 -3.092 1.198 1.00 0.00 H +ATOM 25 C ALA 3 3.979 -1.516 -1.034 1.00 0.00 C +ATOM 26 O ALA 3 4.951 -0.967 -1.565 1.00 0.00 O +ATOM 27 N GLN 4 3.371 -2.461 -1.667 1.00 0.00 N +ATOM 28 H GLN 4 2.563 -2.978 -1.321 1.00 0.00 H +ATOM 29 CA GLN 4 3.851 -2.849 -2.990 1.00 0.00 C +ATOM 30 HA GLN 4 4.878 -3.207 -2.913 1.00 0.00 H +ATOM 31 CB GLN 4 2.949 -3.980 -3.532 1.00 0.00 C +ATOM 32 HB2 GLN 4 2.950 -4.795 -2.809 1.00 0.00 H +ATOM 33 HB3 GLN 4 1.927 -3.606 -3.589 1.00 0.00 H +ATOM 34 CG GLN 4 3.337 -4.563 -4.930 1.00 0.00 C +ATOM 35 HG2 GLN 4 3.385 -3.730 -5.631 1.00 0.00 H +ATOM 36 HG3 GLN 4 4.345 -4.970 -4.848 1.00 0.00 H +ATOM 37 CD GLN 4 2.452 -5.646 -5.560 1.00 0.00 C +ATOM 38 OE1 GLN 4 2.700 -6.098 -6.667 1.00 0.00 O +ATOM 39 NE2 GLN 4 1.397 -6.082 -4.921 1.00 0.00 N +ATOM 40 HE21 GLN 4 1.174 -5.716 -3.995 1.00 0.00 H +ATOM 41 HE22 GLN 4 0.797 -6.788 -5.348 1.00 0.00 H +ATOM 42 C GLN 4 3.863 -1.668 -3.931 1.00 0.00 C +ATOM 43 O GLN 4 4.831 -1.414 -4.644 1.00 0.00 O +ATOM 44 N ALA 5 2.826 -0.903 -3.988 1.00 0.00 N +ATOM 45 H ALA 5 1.973 -1.024 -3.442 1.00 0.00 H +ATOM 46 CA ALA 5 2.838 0.239 -4.898 1.00 0.00 C +ATOM 47 HA ALA 5 2.974 -0.087 -5.929 1.00 0.00 H +ATOM 48 CB ALA 5 1.480 0.950 -4.773 1.00 0.00 C +ATOM 49 HB1 ALA 5 1.457 1.810 -5.442 1.00 0.00 H +ATOM 50 HB2 ALA 5 0.681 0.259 -5.043 1.00 0.00 H +ATOM 51 HB3 ALA 5 1.338 1.285 -3.746 1.00 0.00 H +ATOM 52 C ALA 5 4.005 1.151 -4.605 1.00 0.00 C +ATOM 53 O ALA 5 4.741 1.583 -5.500 1.00 0.00 O +ATOM 54 N ALA 6 4.242 1.489 -3.383 1.00 0.00 N +ATOM 55 H ALA 6 3.700 1.190 -2.572 1.00 0.00 H +ATOM 56 CA ALA 6 5.371 2.371 -3.100 1.00 0.00 C +ATOM 57 HA ALA 6 5.257 3.325 -3.615 1.00 0.00 H +ATOM 58 CB ALA 6 5.399 2.621 -1.582 1.00 0.00 C +ATOM 59 HB1 ALA 6 6.233 3.278 -1.337 1.00 0.00 H +ATOM 60 HB2 ALA 6 4.465 3.090 -1.273 1.00 0.00 H +ATOM 61 HB3 ALA 6 5.519 1.672 -1.059 1.00 0.00 H +ATOM 62 C ALA 6 6.661 1.782 -3.620 1.00 0.00 C +ATOM 63 O ALA 6 7.470 2.451 -4.274 1.00 0.00 O +ATOM 64 N ALA 7 6.926 0.544 -3.374 1.00 0.00 N +ATOM 65 H ALA 7 6.330 -0.094 -2.846 1.00 0.00 H +ATOM 66 CA ALA 7 8.173 -0.025 -3.877 1.00 0.00 C +ATOM 67 HA ALA 7 9.034 0.508 -3.474 1.00 0.00 H +ATOM 68 CB ALA 7 8.234 -1.493 -3.420 1.00 0.00 C +ATOM 69 HB1 ALA 7 9.156 -1.948 -3.781 1.00 0.00 H +ATOM 70 HB2 ALA 7 8.209 -1.536 -2.331 1.00 0.00 H +ATOM 71 HB3 ALA 7 7.379 -2.036 -3.824 1.00 0.00 H +ATOM 72 C ALA 7 8.270 0.126 -5.376 1.00 0.00 C +ATOM 73 O ALA 7 9.294 0.543 -5.929 1.00 0.00 O +ATOM 74 N ALA 8 7.252 -0.191 -6.103 1.00 0.00 N +ATOM 75 H ALA 8 6.362 -0.543 -5.751 1.00 0.00 H +ATOM 76 CA ALA 8 7.346 -0.046 -7.553 1.00 0.00 C +ATOM 77 HA ALA 8 8.151 -0.662 -7.954 1.00 0.00 H +ATOM 78 CB ALA 8 6.010 -0.513 -8.156 1.00 0.00 C +ATOM 79 HB1 ALA 8 6.047 -0.417 -9.241 1.00 0.00 H +ATOM 80 HB2 ALA 8 5.835 -1.555 -7.890 1.00 0.00 H +ATOM 81 HB3 ALA 8 5.200 0.102 -7.765 1.00 0.00 H +ATOM 82 C ALA 8 7.694 1.374 -7.932 1.00 0.00 C +ATOM 83 O ALA 8 8.577 1.634 -8.758 1.00 0.00 O +ATOM 84 N GLN 9 7.051 2.345 -7.377 1.00 0.00 N +ATOM 85 H GLN 9 6.308 2.241 -6.686 1.00 0.00 H +ATOM 86 CA GLN 9 7.387 3.717 -7.743 1.00 0.00 C +ATOM 87 HA GLN 9 7.209 3.863 -8.808 1.00 0.00 H +ATOM 88 CB GLN 9 6.490 4.679 -6.933 1.00 0.00 C +ATOM 89 HB2 GLN 9 5.449 4.418 -7.122 1.00 0.00 H +ATOM 90 HB3 GLN 9 6.674 4.508 -5.872 1.00 0.00 H +ATOM 91 CG GLN 9 6.675 6.205 -7.224 1.00 0.00 C +ATOM 92 HG2 GLN 9 7.730 6.441 -7.083 1.00 0.00 H +ATOM 93 HG3 GLN 9 6.450 6.368 -8.278 1.00 0.00 H +ATOM 94 CD GLN 9 5.862 7.224 -6.415 1.00 0.00 C +ATOM 95 OE1 GLN 9 6.007 8.424 -6.585 1.00 0.00 O +ATOM 96 NE2 GLN 9 5.016 6.812 -5.505 1.00 0.00 N +ATOM 97 HE21 GLN 9 4.881 5.813 -5.349 1.00 0.00 H +ATOM 98 HE22 GLN 9 4.491 7.490 -4.952 1.00 0.00 H +ATOM 99 C GLN 9 8.849 4.002 -7.495 1.00 0.00 C +ATOM 100 O GLN 9 9.555 4.560 -8.333 1.00 0.00 O +ATOM 101 N ALA 10 9.374 3.648 -6.371 1.00 0.00 N +ATOM 102 H ALA 10 8.880 3.180 -5.611 1.00 0.00 H +ATOM 103 CA ALA 10 10.787 3.924 -6.132 1.00 0.00 C +ATOM 104 HA ALA 10 10.988 4.994 -6.185 1.00 0.00 H +ATOM 105 CB ALA 10 11.129 3.420 -4.719 1.00 0.00 C +ATOM 106 HB1 ALA 10 12.181 3.612 -4.509 1.00 0.00 H +ATOM 107 HB2 ALA 10 10.512 3.942 -3.987 1.00 0.00 H +ATOM 108 HB3 ALA 10 10.937 2.349 -4.658 1.00 0.00 H +ATOM 109 C ALA 10 11.648 3.296 -7.201 1.00 0.00 C +ATOM 110 O ALA 10 12.554 3.921 -7.766 1.00 0.00 O +ATOM 111 N ALA 11 11.433 2.069 -7.536 1.00 0.00 N +ATOM 112 H ALA 11 10.715 1.465 -7.135 1.00 0.00 H +ATOM 113 CA ALA 11 12.266 1.462 -8.570 1.00 0.00 C +ATOM 114 HA ALA 11 13.316 1.469 -8.276 1.00 0.00 H +ATOM 115 CB ALA 11 11.804 0.005 -8.746 1.00 0.00 C +ATOM 116 HB1 ALA 11 12.408 -0.478 -9.514 1.00 0.00 H +ATOM 117 HB2 ALA 11 11.920 -0.530 -7.803 1.00 0.00 H +ATOM 118 HB3 ALA 11 10.756 -0.011 -9.046 1.00 0.00 H +ATOM 119 C ALA 11 12.199 2.255 -9.853 1.00 0.00 C +ATOM 120 O ALA 11 13.214 2.561 -10.489 1.00 0.00 O +ATOM 121 N ALA 12 11.046 2.625 -10.300 1.00 0.00 N +ATOM 122 H ALA 12 10.150 2.426 -9.856 1.00 0.00 H +ATOM 123 CA ALA 12 10.981 3.392 -11.540 1.00 0.00 C +ATOM 124 HA ALA 12 11.409 2.828 -12.368 1.00 0.00 H +ATOM 125 CB ALA 12 9.499 3.672 -11.839 1.00 0.00 C +ATOM 126 HB1 ALA 12 9.416 4.245 -12.762 1.00 0.00 H +ATOM 127 HB2 ALA 12 8.965 2.728 -11.949 1.00 0.00 H +ATOM 128 HB3 ALA 12 9.063 4.241 -11.018 1.00 0.00 H +ATOM 129 C ALA 12 11.806 4.653 -11.440 1.00 0.00 C +ATOM 130 O ALA 12 12.592 4.996 -12.331 1.00 0.00 O +ATOM 131 N ALA 13 11.687 5.396 -10.392 1.00 0.00 N +ATOM 132 H ALA 13 11.070 5.207 -9.602 1.00 0.00 H +ATOM 133 CA ALA 13 12.485 6.615 -10.294 1.00 0.00 C +ATOM 134 HA ALA 13 12.260 7.294 -11.117 1.00 0.00 H +ATOM 135 CB ALA 13 12.126 7.303 -8.966 1.00 0.00 C +ATOM 136 HB1 ALA 13 12.707 8.219 -8.862 1.00 0.00 H +ATOM 137 HB2 ALA 13 11.063 7.544 -8.957 1.00 0.00 H +ATOM 138 HB3 ALA 13 12.353 6.634 -8.136 1.00 0.00 H +ATOM 139 C ALA 13 13.958 6.307 -10.414 1.00 0.00 C +ATOM 140 O ALA 13 14.706 6.958 -11.154 1.00 0.00 O +ATOM 141 N GLN 14 14.452 5.336 -9.724 1.00 0.00 N +ATOM 142 H GLN 14 13.926 4.738 -9.087 1.00 0.00 H +ATOM 143 CA GLN 14 15.876 5.039 -9.839 1.00 0.00 C +ATOM 144 HA GLN 14 16.454 5.906 -9.519 1.00 0.00 H +ATOM 145 CB GLN 14 16.206 3.833 -8.930 1.00 0.00 C +ATOM 146 HB2 GLN 14 15.889 4.072 -7.915 1.00 0.00 H +ATOM 147 HB3 GLN 14 15.609 2.983 -9.259 1.00 0.00 H +ATOM 148 CG GLN 14 17.705 3.392 -8.885 1.00 0.00 C +ATOM 149 HG2 GLN 14 18.024 3.208 -9.911 1.00 0.00 H +ATOM 150 HG3 GLN 14 18.285 4.238 -8.517 1.00 0.00 H +ATOM 151 CD GLN 14 18.098 2.165 -8.052 1.00 0.00 C +ATOM 152 OE1 GLN 14 19.252 1.765 -8.023 1.00 0.00 O +ATOM 153 NE2 GLN 14 17.186 1.512 -7.378 1.00 0.00 N +ATOM 154 HE21 GLN 14 16.217 1.831 -7.390 1.00 0.00 H +ATOM 155 HE22 GLN 14 17.444 0.684 -6.841 1.00 0.00 H +ATOM 156 C GLN 14 16.257 4.755 -11.273 1.00 0.00 C +ATOM 157 O GLN 14 17.242 5.269 -11.798 1.00 0.00 O +ATOM 158 N ALA 15 15.527 3.949 -11.966 1.00 0.00 N +ATOM 159 H ALA 15 14.692 3.471 -11.628 1.00 0.00 H +ATOM 160 CA ALA 15 15.896 3.675 -13.352 1.00 0.00 C +ATOM 161 HA ALA 15 16.891 3.234 -13.410 1.00 0.00 H +ATOM 162 CB ALA 15 14.873 2.675 -13.919 1.00 0.00 C +ATOM 163 HB1 ALA 15 15.121 2.449 -14.956 1.00 0.00 H +ATOM 164 HB2 ALA 15 14.897 1.757 -13.332 1.00 0.00 H +ATOM 165 HB3 ALA 15 13.875 3.110 -13.871 1.00 0.00 H +ATOM 166 C ALA 15 15.971 4.953 -14.153 1.00 0.00 C +ATOM 167 O ALA 15 16.924 5.204 -14.900 1.00 0.00 O +ATOM 168 N ALA 16 15.010 5.809 -14.056 1.00 0.00 N +ATOM 169 H ALA 16 14.180 5.701 -13.472 1.00 0.00 H +ATOM 170 CA ALA 16 15.083 7.044 -14.831 1.00 0.00 C +ATOM 171 HA ALA 16 15.131 6.831 -15.899 1.00 0.00 H +ATOM 172 CB ALA 16 13.808 7.854 -14.539 1.00 0.00 C +ATOM 173 HB1 ALA 16 13.831 8.786 -15.104 1.00 0.00 H +ATOM 174 HB2 ALA 16 12.933 7.274 -14.832 1.00 0.00 H +ATOM 175 HB3 ALA 16 13.755 8.077 -13.473 1.00 0.00 H +ATOM 176 C ALA 16 16.347 7.807 -14.514 1.00 0.00 C +ATOM 177 O ALA 16 16.740 7.972 -13.353 1.00 0.00 O +HETATM 178 N NME 17 17.038 8.303 -15.484 1.00 0.00 N +HETATM 179 H NME 17 16.756 8.193 -16.448 1.00 0.00 H +HETATM 180 C NME 17 18.257 9.042 -15.203 1.00 0.00 C +HETATM 181 H1 NME 17 18.424 9.072 -14.126 1.00 0.00 H +HETATM 182 H2 NME 17 19.101 8.550 -15.687 1.00 0.00 H +HETATM 183 H3 NME 17 18.162 10.059 -15.584 1.00 0.00 H +TER 183 NME 17 END diff --git a/examples/parameterize_peptide/output/peptide_amber.rst7 b/examples/parameterize_peptide/output/peptide_amber.rst7 index 5b16fcbb..0a9e5ee2 100644 --- a/examples/parameterize_peptide/output/peptide_amber.rst7 +++ b/examples/parameterize_peptide/output/peptide_amber.rst7 @@ -1,65 +1,94 @@ default_name - 126 - 4.3160000 -2.6730000 -6.4090000 3.6190000 -1.9030000 -6.0770000 - 3.2810000 -2.1310000 -5.0660000 2.7610000 -1.8760000 -6.7490000 - 4.3110000 -0.5570000 -6.0860000 3.8890000 0.3730000 -6.7860000 - 5.3570000 -0.3750000 -5.3530000 5.7730000 -1.0820000 -4.7470000 - 6.0330000 0.9190000 -5.3530000 5.8030000 1.4770000 -6.2610000 - 5.5250000 1.7110000 -4.1360000 6.0120000 2.6860000 -4.1070000 - 4.4460000 1.8470000 -4.2150000 5.7560000 1.1630000 -3.2230000 - 7.5330000 0.7450000 -5.3530000 8.2680000 1.3790000 -6.1200000 - 8.0650000 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b/examples/parameterize_peptide/output/peptide_amber_from_amber.gro @@ -1,129 +1,186 @@ GROningen MAchine for Chemical Simulation - 126 - 1ACE H1 1 0.43160000 -0.26730000 -0.64090000 - 1ACE CH3 2 0.36190000 -0.19030000 -0.60770000 - 1ACE H2 3 0.32810000 -0.21310000 -0.50660000 - 1ACE H3 4 0.27610000 -0.18760000 -0.67490000 - 1ACE C 5 0.43110000 -0.05570000 -0.60860000 - 1ACE O 6 0.38890000 0.03730000 -0.67860000 - 2ALA N 7 0.53570000 -0.03750000 -0.53530000 - 2ALA H 8 0.57730000 -0.10820000 -0.47470000 - 2ALA CA 9 0.60330000 0.09190000 -0.53530000 - 2ALA HA 10 0.58030000 0.14770000 -0.62610000 - 2ALA CB 11 0.55250000 0.17110000 -0.41360000 - 2ALA HB1 12 0.60120000 0.26860000 -0.41070000 - 2ALA HB2 13 0.44460000 0.18470000 -0.42150000 - 2ALA HB3 14 0.57560000 0.11630000 -0.32230000 - 2ALA C 15 0.75330000 0.07450000 -0.53530000 - 2ALA O 16 0.82680000 0.13790000 -0.61200000 - 3ALA N 17 0.80650000 -0.00920000 -0.45270000 - 3ALA H 18 0.75540000 -0.06640000 -0.38540000 - 3ALA CA 19 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4GLN HE21 40 0.72070000 -0.48610000 -0.88580000 - 4GLN HE22 41 0.68320000 -0.59330000 -1.02120000 - 4GLN C 42 0.98970000 -0.08130000 -0.87930000 - 4GLN O 43 1.08650000 -0.05590000 -0.95070000 - 5ALA N 44 0.88600000 -0.00480000 -0.88500000 - 5ALA H 45 0.80070000 -0.01690000 -0.83040000 - 5ALA CA 46 0.88720000 0.10940000 -0.97600000 - 5ALA HA 47 0.90080000 0.07680000 -1.07910000 - 5ALA CB 48 0.75140000 0.18050000 -0.96350000 - 5ALA HB1 49 0.74910000 0.26650000 -1.03040000 - 5ALA HB2 50 0.67150000 0.11140000 -0.99050000 - 5ALA HB3 51 0.73720000 0.21400000 -0.86080000 - 5ALA C 52 1.00390000 0.20060000 -0.94670000 - 5ALA O 53 1.07750000 0.24380000 -1.03620000 - 6ALA N 54 1.02770000 0.23440000 -0.82450000 - 6ALA H 55 0.97360000 0.20440000 -0.74340000 - 6ALA CA 56 1.14050000 0.32260000 -0.79620000 - 6ALA HA 57 1.12910000 0.41800000 -0.84760000 - 6ALA CB 58 1.14330000 0.34760000 -0.64440000 - 6ALA HB1 59 1.22670000 0.41340000 -0.61990000 - 6ALA HB2 60 1.04990000 0.39450000 -0.61350000 - 6ALA 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1.37280000 0.22290000 -1.27940000 - 8ALA O 83 1.46120000 0.24890000 -1.36200000 - 9GLN N 84 1.30850000 0.32000000 -1.22400000 - 9GLN H 85 1.23410000 0.30970000 -1.15490000 - 9GLN CA 86 1.34210000 0.45720000 -1.26060000 - 9GLN HA 87 1.32430000 0.47180000 -1.36710000 - 9GLN CB 88 1.25240000 0.55340000 -1.17950000 - 9GLN HB2 89 1.14830000 0.52730000 -1.19830000 - 9GLN HB3 90 1.27090000 0.53630000 -1.07340000 - 9GLN CG 91 1.27090000 0.70600000 -1.20870000 - 9GLN HG2 92 1.37640000 0.72960000 -1.19480000 - 9GLN HG3 93 1.24830000 0.72230000 -1.31410000 - 9GLN CD 94 1.18970000 0.80790000 -1.12770000 - 9GLN OE1 95 1.20410000 0.92790000 -1.14480000 - 9GLN NE2 96 1.10510000 0.76670000 -1.03670000 - 9GLN HE21 97 1.09170000 0.66680000 -1.02100000 - 9GLN HE22 98 1.05250000 0.83450000 -0.98150000 - 9GLN C 99 1.48830000 0.48570000 -1.23570000 - 9GLN O 100 1.55890000 0.54150000 -1.31950000 - 10ALA N 101 1.54080000 0.45030000 -1.12330000 - 10ALA H 102 1.49140000 0.40350000 -1.04730000 - 10ALA CA 103 1.68210000 0.47790000 -1.09940000 - 10ALA HA 104 1.70220000 0.58490000 -1.10470000 - 10ALA CB 105 1.71630000 0.42750000 -0.95810000 - 10ALA HB1 106 1.82150000 0.44670000 -0.93710000 - 10ALA HB2 107 1.65460000 0.47970000 -0.88490000 - 10ALA HB3 108 1.69710000 0.32040000 -0.95200000 - 10ALA C 109 1.76830000 0.41510000 -1.20630000 - 10ALA O 110 1.85880000 0.47770000 -1.26280000 - 11ALA N 111 1.74670000 0.29240000 -1.23990000 - 11ALA H 112 1.67480000 0.23210000 -1.19990000 - 11ALA CA 113 1.83000000 0.23170000 -1.34320000 - 11ALA HA 114 1.93500000 0.23240000 -1.31380000 - 11ALA CB 115 1.78390000 0.08600000 -1.36080000 - 11ALA HB1 116 1.84440000 0.03770000 -1.43760000 - 11ALA HB2 117 1.79550000 0.03250000 -1.26650000 - 11ALA HB3 118 1.67910000 0.08440000 -1.39080000 - 11ALA C 119 1.82330000 0.31100000 -1.47160000 - 11ALA O 120 1.71620000 0.35250000 -1.51750000 - 12NME N 121 1.93260000 0.33640000 -1.53520000 - 12NME H 122 2.02230000 0.30460000 -1.50140000 - 12NME C 123 1.92870000 0.41250000 -1.65880000 - 12NME H1 124 1.82560000 0.43930000 -1.68180000 - 12NME H2 125 1.98810000 0.50320000 -1.64760000 - 12NME H3 126 1.96950000 0.35220000 -1.73990000 + 183 + 1ACE H1 1 -0.17180000 -0.35270000 -0.15480000 + 1ACE CH3 2 -0.24150000 -0.27580000 -0.12150000 + 1ACE H2 3 -0.27530000 -0.29870000 -0.02040000 + 1ACE H3 4 -0.32730000 -0.27300000 -0.18870000 + 1ACE C 5 -0.17230000 -0.14120000 -0.12230000 + 1ACE O 6 -0.21460000 -0.04820000 -0.19230000 + 2ALA N 7 -0.06770000 -0.12300000 -0.04910000 + 2ALA H 8 -0.02600000 -0.19370000 0.01140000 + 2ALA CA 9 -0.00010000 0.00640000 -0.04910000 + 2ALA HA 10 -0.02310000 0.06220000 -0.13980000 + 2ALA CB 11 -0.05090000 0.08560000 0.07270000 + 2ALA HB1 12 -0.00220000 0.18310000 0.07560000 + 2ALA HB2 13 -0.15880000 0.09920000 0.06490000 + 2ALA HB3 14 -0.02780000 0.03070000 0.16400000 + 2ALA C 15 0.14990000 -0.01100000 -0.04910000 + 2ALA O 16 0.22330000 0.05240000 -0.12570000 + 3ALA N 17 0.20310000 -0.09470000 0.03350000 + 3ALA H 18 0.15190000 -0.15190000 0.10070000 + 3ALA CA 19 0.34810000 -0.11150000 0.03350000 + 3ALA HA 20 0.39810000 -0.01740000 0.05640000 + 3ALA CB 21 0.38320000 -0.21450000 0.14220000 + 3ALA HB1 22 0.49120000 -0.22930000 0.14480000 + 3ALA HB2 23 0.34930000 -0.17810000 0.23920000 + 3ALA HB3 24 0.33410000 -0.30920000 0.11980000 + 3ALA C 25 0.39790000 -0.15160000 -0.10340000 + 3ALA O 26 0.49510000 -0.09670000 -0.15650000 + 4GLN N 27 0.33710000 -0.24610000 -0.16670000 + 4GLN H 28 0.25630000 -0.29780000 -0.13210000 + 4GLN CA 29 0.38510000 -0.28490000 -0.29900000 + 4GLN HA 30 0.48780000 -0.32070000 -0.29130000 + 4GLN CB 31 0.29490000 -0.39800000 -0.35320000 + 4GLN HB2 32 0.29500000 -0.47950000 -0.28090000 + 4GLN HB3 33 0.19270000 -0.36060000 -0.35890000 + 4GLN CG 34 0.33370000 -0.45630000 -0.49300000 + 4GLN HG2 35 0.33850000 -0.37300000 -0.56310000 + 4GLN HG3 36 0.43450000 -0.49700000 -0.48480000 + 4GLN CD 37 0.24520000 -0.56460000 -0.55600000 + 4GLN OE1 38 0.27000000 -0.60980000 -0.66670000 + 4GLN NE2 39 0.13970000 -0.60820000 -0.49210000 + 4GLN HE21 40 0.11740000 -0.57160000 -0.39950000 + 4GLN HE22 41 0.07970000 -0.67880000 -0.53480000 + 4GLN C 42 0.38630000 -0.16680000 -0.39310000 + 4GLN O 43 0.48310000 -0.14140000 -0.46440000 + 5ALA N 44 0.28260000 -0.09030000 -0.39880000 + 5ALA H 45 0.19730000 -0.10240000 -0.34420000 + 5ALA CA 46 0.28380000 0.02390000 -0.48980000 + 5ALA HA 47 0.29740000 -0.00870000 -0.59290000 + 5ALA CB 48 0.14800000 0.09500000 -0.47730000 + 5ALA HB1 49 0.14570000 0.18100000 -0.54420000 + 5ALA HB2 50 0.06810000 0.02590000 -0.50430000 + 5ALA HB3 51 0.13380000 0.12850000 -0.37460000 + 5ALA C 52 0.40050000 0.11510000 -0.46050000 + 5ALA O 53 0.47410000 0.15830000 -0.55000000 + 6ALA N 54 0.42420000 0.14890000 -0.33830000 + 6ALA H 55 0.37000000 0.11900000 -0.25720000 + 6ALA CA 56 0.53710000 0.23710000 -0.31000000 + 6ALA HA 57 0.52570000 0.33250000 -0.36150000 + 6ALA CB 58 0.53990000 0.26210000 -0.15820000 + 6ALA HB1 59 0.62330000 0.32780000 -0.13370000 + 6ALA HB2 60 0.44650000 0.30900000 -0.12730000 + 6ALA HB3 61 0.55190000 0.16720000 -0.10590000 + 6ALA C 62 0.66610000 0.17820000 -0.36200000 + 6ALA O 63 0.74700000 0.24510000 -0.42740000 + 7ALA N 64 0.69260000 0.05440000 -0.33740000 + 7ALA H 65 0.63300000 -0.00940000 -0.28460000 + 7ALA CA 66 0.81730000 -0.00250000 -0.38770000 + 7ALA HA 67 0.90340000 0.05080000 -0.34740000 + 7ALA CB 68 0.82340000 -0.14930000 -0.34200000 + 7ALA HB1 69 0.91560000 -0.19480000 -0.37810000 + 7ALA HB2 70 0.82090000 -0.15360000 -0.23310000 + 7ALA HB3 71 0.73790000 -0.20360000 -0.38240000 + 7ALA C 72 0.82700000 0.01260000 -0.53760000 + 7ALA O 73 0.92940000 0.05430000 -0.59290000 + 8ALA N 74 0.72520000 -0.01910000 -0.61030000 + 8ALA H 75 0.63620000 -0.05430000 -0.57510000 + 8ALA CA 76 0.73460000 -0.00460000 -0.75530000 + 8ALA HA 77 0.81510000 -0.06620000 -0.79540000 + 8ALA CB 78 0.60100000 -0.05130000 -0.81560000 + 8ALA HB1 79 0.60470000 -0.04170000 -0.92410000 + 8ALA HB2 80 0.58350000 -0.15550000 -0.78900000 + 8ALA HB3 81 0.52000000 0.01020000 -0.77650000 + 8ALA C 82 0.76940000 0.13740000 -0.79320000 + 8ALA O 83 0.85770000 0.16340000 -0.87580000 + 9GLN N 84 0.70510000 0.23450000 -0.73770000 + 9GLN H 85 0.63080000 0.22410000 -0.66860000 + 9GLN CA 86 0.73870000 0.37170000 -0.77430000 + 9GLN HA 87 0.72090000 0.38630000 -0.88080000 + 9GLN CB 88 0.64900000 0.46790000 -0.69330000 + 9GLN HB2 89 0.54490000 0.44180000 -0.71220000 + 9GLN HB3 90 0.66740000 0.45080000 -0.58720000 + 9GLN CG 91 0.66750000 0.62050000 -0.72240000 + 9GLN HG2 92 0.77300000 0.64410000 -0.70830000 + 9GLN HG3 93 0.64500000 0.63680000 -0.82780000 + 9GLN CD 94 0.58620000 0.72240000 -0.64150000 + 9GLN OE1 95 0.60070000 0.84240000 -0.65850000 + 9GLN NE2 96 0.50160000 0.68120000 -0.55050000 + 9GLN HE21 97 0.48810000 0.58130000 -0.53490000 + 9GLN HE22 98 0.44910000 0.74900000 -0.49520000 + 9GLN C 99 0.88490000 0.40020000 -0.74950000 + 9GLN O 100 0.95550000 0.45600000 -0.83330000 + 10ALA N 101 0.93740000 0.36480000 -0.63710000 + 10ALA H 102 0.88800000 0.31800000 -0.56110000 + 10ALA CA 103 1.07870000 0.39240000 -0.61320000 + 10ALA HA 104 1.09880000 0.49940000 -0.61850000 + 10ALA CB 105 1.11290000 0.34200000 -0.47190000 + 10ALA HB1 106 1.21810000 0.36120000 -0.45090000 + 10ALA HB2 107 1.05120000 0.39420000 -0.39870000 + 10ALA HB3 108 1.09370000 0.23490000 -0.46580000 + 10ALA C 109 1.16480000 0.32960000 -0.72010000 + 10ALA O 110 1.25540000 0.39210000 -0.77660000 + 11ALA N 111 1.14330000 0.20690000 -0.75360000 + 11ALA H 112 1.07150000 0.14650000 -0.71350000 + 11ALA CA 113 1.22660000 0.14620000 -0.85700000 + 11ALA HA 114 1.33160000 0.14690000 -0.82760000 + 11ALA CB 115 1.18040000 0.00050000 -0.87460000 + 11ALA HB1 116 1.24080000 -0.04780000 -0.95140000 + 11ALA HB2 117 1.19200000 -0.05300000 -0.78030000 + 11ALA HB3 118 1.07560000 -0.00110000 -0.90460000 + 11ALA C 119 1.21990000 0.22550000 -0.98530000 + 11ALA O 120 1.32140000 0.25610000 -1.04890000 + 12ALA N 121 1.10460000 0.26250000 -1.03000000 + 12ALA H 122 1.01500000 0.24260000 -0.98560000 + 12ALA CA 123 1.09810000 0.33920000 -1.15400000 + 12ALA HA 124 1.14090000 0.28280000 -1.23680000 + 12ALA CB 125 0.94990000 0.36720000 -1.18390000 + 12ALA HB1 126 0.94160000 0.42450000 -1.27620000 + 12ALA HB2 127 0.89650000 0.27280000 -1.19490000 + 12ALA HB3 128 0.90630000 0.42410000 -1.10180000 + 12ALA C 129 1.18060000 0.46530000 -1.14400000 + 12ALA O 130 1.25920000 0.49960000 -1.23310000 + 13ALA N 131 1.16870000 0.53960000 -1.03920000 + 13ALA H 132 1.10700000 0.52070000 -0.96020000 + 13ALA CA 133 1.24850000 0.66150000 -1.02940000 + 13ALA HA 134 1.22600000 0.72940000 -1.11170000 + 13ALA CB 135 1.21260000 0.73030000 -0.89660000 + 13ALA HB1 136 1.27070000 0.82190000 -0.88620000 + 13ALA HB2 137 1.10630000 0.75440000 -0.89570000 + 13ALA HB3 138 1.23530000 0.66340000 -0.81360000 + 13ALA C 139 1.39580000 0.63070000 -1.04140000 + 13ALA O 140 1.47060000 0.69580000 -1.11540000 + 14GLN N 141 1.44520000 0.53360000 -0.97240000 + 14GLN H 142 1.39260000 0.47380000 -0.90870000 + 14GLN CA 143 1.58760000 0.50390000 -0.98390000 + 14GLN HA 144 1.64540000 0.59060000 -0.95190000 + 14GLN CB 145 1.62060000 0.38330000 -0.89300000 + 14GLN HB2 146 1.58890000 0.40720000 -0.79150000 + 14GLN HB3 147 1.56090000 0.29830000 -0.92590000 + 14GLN CG 148 1.77050000 0.33920000 -0.88850000 + 14GLN HG2 149 1.80240000 0.32080000 -0.99110000 + 14GLN HG3 150 1.82850000 0.42380000 -0.85170000 + 14GLN CD 151 1.80980000 0.21650000 -0.80520000 + 14GLN OE1 152 1.92520000 0.17650000 -0.80230000 + 14GLN NE2 153 1.71860000 0.15120000 -0.73780000 + 14GLN HE21 154 1.62170000 0.18310000 -0.73900000 + 14GLN HE22 155 1.74440000 0.06840000 -0.68410000 + 14GLN C 156 1.62570000 0.47550000 -1.12730000 + 14GLN O 157 1.72420000 0.52690000 -1.17980000 + 15ALA N 158 1.55270000 0.39490000 -1.19660000 + 15ALA H 159 1.46920000 0.34710000 -1.16280000 + 15ALA CA 160 1.58960000 0.36750000 -1.33520000 + 15ALA HA 161 1.68910000 0.32340000 -1.34100000 + 15ALA CB 162 1.48730000 0.26750000 -1.39190000 + 15ALA HB1 163 1.51210000 0.24490000 -1.49560000 + 15ALA HB2 164 1.48970000 0.17570000 -1.33320000 + 15ALA HB3 165 1.38750000 0.31100000 -1.38710000 + 15ALA C 166 1.59710000 0.49530000 -1.41530000 + 15ALA O 167 1.69240000 0.52040000 -1.49000000 + 16ALA N 168 1.50100000 0.58090000 -1.40560000 + 16ALA H 169 1.41800000 0.57010000 -1.34720000 + 16ALA CA 170 1.50830000 0.70440000 -1.48310000 + 16ALA HA 171 1.51310000 0.68310000 -1.58990000 + 16ALA CB 172 1.38080000 0.78540000 -1.45390000 + 16ALA HB1 173 1.38310000 0.87860000 -1.51040000 + 16ALA HB2 174 1.29330000 0.72740000 -1.48320000 + 16ALA HB3 175 1.37550000 0.80770000 -1.34730000 + 16ALA C 176 1.63470000 0.78070000 -1.45140000 + 16ALA O 177 1.67400000 0.79720000 -1.33530000 + 17NME N 178 1.70380000 0.83030000 -1.54840000 + 17NME H 179 1.67560000 0.81930000 -1.64480000 + 17NME C 180 1.82570000 0.90420000 -1.52030000 + 17NME H1 181 1.84240000 0.90720000 -1.41260000 + 17NME H2 182 1.91010000 0.85500000 -1.56870000 + 17NME H3 183 1.81620000 1.00590000 -1.55840000 7.00000 7.00000 7.00000 diff --git a/examples/parameterize_peptide/output/peptide_amber_from_amber.top b/examples/parameterize_peptide/output/peptide_amber_from_amber.top index 4d2e534a..08dd50b3 100644 --- a/examples/parameterize_peptide/output/peptide_amber_from_amber.top +++ b/examples/parameterize_peptide/output/peptide_amber_from_amber.top @@ -1,17 +1,17 @@ ; -; File /home/tfobe/Research/heteropolymer_simulations/examples/parameterize_peptide/output/peptide_amber_from_amber.top was generated -; By user: tfobe (1000) -; On host: grays-peak -; At date: Tue. June 2 16:01:12 2023 +; File /home/lenny/Research/terphenyl_simulations/examples/parameterize_peptide/output/peptide_amber_from_amber.top was generated +; By user: lenny (1000) +; On host:DESKTOP-HTCAJ46 +; At date:Fri. September 5 12:48:43 2023 ; ; This is a standalone topology file ; ; Created by: -; ParmEd: intermol-convert, VERSION 3.4.4 +; ParmEd: intermol-convert, VERSION4.1.0 ; Executable: intermol-convert -; Library dir: /usr/share/gromacs/top +; Library dir: /usr/local/gromacs/share/gromacs/top ; Command line: -; /home/tfobe/anaconda3/envs/pymol_builder/bin/intermol-convert -f --amb_in output/peptide_amber.parm7 output/peptide_amber.rst7 --gromacs +; /home/lenny/anaconda3/envs/pymol_builder/bin/intermol-convert -f --amb_in output/peptide_amber.parm7 output/peptide_amber.rst7 --gromacs ; [ defaults ] @@ -168,13 +168,75 @@ system1 3 118 HC 11 ALA HB3 118 0.06030000 1.008000 ; qtot -0.029400 119 C 11 ALA C 119 0.59730000 12.010000 ; qtot 0.567900 120 O 11 ALA O 120 -0.56790000 16.000000 ; qtot -0.000000 -; residue 12 NME rtp NME q 0.0 - 121 N 12 NME N 121 -0.41570000 14.010000 ; qtot -0.415700 - 122 H 12 NME H 122 0.27190000 1.008000 ; qtot -0.143800 - 123 CT 12 NME C 123 -0.14900000 12.010000 ; qtot -0.292800 - 124 H1 12 NME H1 124 0.09760000 1.008000 ; qtot -0.195200 - 125 H1 12 NME H2 125 0.09760000 1.008000 ; qtot -0.097600 - 126 H1 12 NME H3 126 0.09760000 1.008000 ; qtot -0.000000 +; residue 12 ALA rtp ALA q -0.0 + 121 N 12 ALA N 121 -0.41570000 14.010000 ; qtot -0.415700 + 122 H 12 ALA H 122 0.27190000 1.008000 ; qtot -0.143800 + 123 CX 12 ALA CA 123 0.03370000 12.010000 ; qtot -0.110100 + 124 H1 12 ALA HA 124 0.08230000 1.008000 ; qtot -0.027800 + 125 CT 12 ALA CB 125 -0.18250000 12.010000 ; qtot -0.210300 + 126 HC 12 ALA HB1 126 0.06030000 1.008000 ; qtot -0.150000 + 127 HC 12 ALA HB2 127 0.06030000 1.008000 ; qtot -0.089700 + 128 HC 12 ALA HB3 128 0.06030000 1.008000 ; qtot -0.029400 + 129 C 12 ALA C 129 0.59730000 12.010000 ; qtot 0.567900 + 130 O 12 ALA O 130 -0.56790000 16.000000 ; qtot -0.000000 +; residue 13 ALA rtp ALA q -0.0 + 131 N 13 ALA N 131 -0.41570000 14.010000 ; qtot -0.415700 + 132 H 13 ALA H 132 0.27190000 1.008000 ; qtot -0.143800 + 133 CX 13 ALA CA 133 0.03370000 12.010000 ; qtot -0.110100 + 134 H1 13 ALA HA 134 0.08230000 1.008000 ; qtot -0.027800 + 135 CT 13 ALA CB 135 -0.18250000 12.010000 ; qtot -0.210300 + 136 HC 13 ALA HB1 136 0.06030000 1.008000 ; qtot -0.150000 + 137 HC 13 ALA HB2 137 0.06030000 1.008000 ; qtot -0.089700 + 138 HC 13 ALA HB3 138 0.06030000 1.008000 ; qtot -0.029400 + 139 C 13 ALA C 139 0.59730000 12.010000 ; qtot 0.567900 + 140 O 13 ALA O 140 -0.56790000 16.000000 ; qtot -0.000000 +; residue 14 GLN rtp GLN q -0.0 + 141 N 14 GLN N 141 -0.41570000 14.010000 ; qtot -0.415700 + 142 H 14 GLN H 142 0.27190000 1.008000 ; qtot -0.143800 + 143 CX 14 GLN CA 143 -0.00310000 12.010000 ; qtot -0.146900 + 144 H1 14 GLN HA 144 0.08500000 1.008000 ; qtot -0.061900 + 145 2C 14 GLN CB 145 -0.00360000 12.010000 ; qtot -0.065500 + 146 HC 14 GLN HB2 146 0.01710000 1.008000 ; qtot -0.048400 + 147 HC 14 GLN HB3 147 0.01710000 1.008000 ; qtot -0.031300 + 148 2C 14 GLN CG 148 -0.06450000 12.010000 ; qtot -0.095800 + 149 HC 14 GLN HG2 149 0.03520000 1.008000 ; qtot -0.060600 + 150 HC 14 GLN HG3 150 0.03520000 1.008000 ; qtot -0.025400 + 151 C 14 GLN CD 151 0.69510000 12.010000 ; qtot 0.669700 + 152 O 14 GLN OE1 152 -0.60860000 16.000000 ; qtot 0.061100 + 153 N 14 GLN NE2 153 -0.94070000 14.010000 ; qtot -0.879600 + 154 H 14 GLN HE21 154 0.42510000 1.008000 ; qtot -0.454500 + 155 H 14 GLN HE22 155 0.42510000 1.008000 ; qtot -0.029400 + 156 C 14 GLN C 156 0.59730000 12.010000 ; qtot 0.567900 + 157 O 14 GLN O 157 -0.56790000 16.000000 ; qtot -0.000000 +; residue 15 ALA rtp ALA q -0.0 + 158 N 15 ALA N 158 -0.41570000 14.010000 ; qtot -0.415700 + 159 H 15 ALA H 159 0.27190000 1.008000 ; qtot -0.143800 + 160 CX 15 ALA CA 160 0.03370000 12.010000 ; qtot -0.110100 + 161 H1 15 ALA HA 161 0.08230000 1.008000 ; qtot -0.027800 + 162 CT 15 ALA CB 162 -0.18250000 12.010000 ; qtot -0.210300 + 163 HC 15 ALA HB1 163 0.06030000 1.008000 ; qtot -0.150000 + 164 HC 15 ALA HB2 164 0.06030000 1.008000 ; qtot -0.089700 + 165 HC 15 ALA HB3 165 0.06030000 1.008000 ; qtot -0.029400 + 166 C 15 ALA C 166 0.59730000 12.010000 ; qtot 0.567900 + 167 O 15 ALA O 167 -0.56790000 16.000000 ; qtot -0.000000 +; residue 16 ALA rtp ALA q -0.0 + 168 N 16 ALA N 168 -0.41570000 14.010000 ; qtot -0.415700 + 169 H 16 ALA H 169 0.27190000 1.008000 ; qtot -0.143800 + 170 CX 16 ALA CA 170 0.03370000 12.010000 ; qtot -0.110100 + 171 H1 16 ALA HA 171 0.08230000 1.008000 ; qtot -0.027800 + 172 CT 16 ALA CB 172 -0.18250000 12.010000 ; qtot -0.210300 + 173 HC 16 ALA HB1 173 0.06030000 1.008000 ; qtot -0.150000 + 174 HC 16 ALA HB2 174 0.06030000 1.008000 ; qtot -0.089700 + 175 HC 16 ALA HB3 175 0.06030000 1.008000 ; qtot -0.029400 + 176 C 16 ALA C 176 0.59730000 12.010000 ; qtot 0.567900 + 177 O 16 ALA O 177 -0.56790000 16.000000 ; qtot -0.000000 +; residue 17 NME rtp NME q 0.0 + 178 N 17 NME N 178 -0.41570000 14.010000 ; qtot -0.415700 + 179 H 17 NME H 179 0.27190000 1.008000 ; qtot -0.143800 + 180 CT 17 NME C 180 -0.14900000 12.010000 ; qtot -0.292800 + 181 H1 17 NME H1 181 0.09760000 1.008000 ; qtot -0.195200 + 182 H1 17 NME H2 182 0.09760000 1.008000 ; qtot -0.097600 + 183 H1 17 NME H3 183 0.09760000 1.008000 ; qtot -0.000000 [ bonds ] ; ai aj funct c0 c1 c2 c3 @@ -239,7 +301,36 @@ system1 3 113 115 1 0.15260 259408.000000 113 119 1 0.15220 265265.600000 111 113 1 0.14490 282001.600000 + 129 130 1 0.12290 476976.000000 + 129 131 1 0.13350 410032.000000 + 123 125 1 0.15260 259408.000000 + 123 129 1 0.15220 265265.600000 121 123 1 0.14490 282001.600000 + 139 140 1 0.12290 476976.000000 + 139 141 1 0.13350 410032.000000 + 133 135 1 0.15260 259408.000000 + 133 139 1 0.15220 265265.600000 + 131 133 1 0.14490 282001.600000 + 156 157 1 0.12290 476976.000000 + 156 158 1 0.13350 410032.000000 + 151 152 1 0.12290 476976.000000 + 151 153 1 0.13350 410032.000000 + 148 151 1 0.15220 265265.600000 + 145 148 1 0.15260 259408.000000 + 143 145 1 0.15260 259408.000000 + 143 156 1 0.15220 265265.600000 + 141 143 1 0.14490 282001.600000 + 166 167 1 0.12290 476976.000000 + 166 168 1 0.13350 410032.000000 + 160 162 1 0.15260 259408.000000 + 160 166 1 0.15220 265265.600000 + 158 160 1 0.14490 282001.600000 + 176 177 1 0.12290 476976.000000 + 176 178 1 0.13350 410032.000000 + 170 172 1 0.15260 259408.000000 + 170 176 1 0.15220 265265.600000 + 168 170 1 0.14490 282001.600000 + 178 180 1 0.14490 282001.600000 2 3 1 0.10900 284512.000000 2 4 1 0.10900 284512.000000 1 2 1 0.10900 284512.000000 @@ -299,10 +390,38 @@ system1 3 115 118 1 0.10900 284512.000000 113 114 1 0.10900 284512.000000 111 112 1 0.10100 363171.200000 + 125 126 1 0.10900 284512.000000 + 125 127 1 0.10900 284512.000000 + 125 128 1 0.10900 284512.000000 123 124 1 0.10900 284512.000000 - 123 125 1 0.10900 284512.000000 - 123 126 1 0.10900 284512.000000 121 122 1 0.10100 363171.200000 + 135 136 1 0.10900 284512.000000 + 135 137 1 0.10900 284512.000000 + 135 138 1 0.10900 284512.000000 + 133 134 1 0.10900 284512.000000 + 131 132 1 0.10100 363171.200000 + 153 154 1 0.10100 363171.200000 + 153 155 1 0.10100 363171.200000 + 148 149 1 0.10900 284512.000000 + 148 150 1 0.10900 284512.000000 + 145 146 1 0.10900 284512.000000 + 145 147 1 0.10900 284512.000000 + 143 144 1 0.10900 284512.000000 + 141 142 1 0.10100 363171.200000 + 162 163 1 0.10900 284512.000000 + 162 164 1 0.10900 284512.000000 + 162 165 1 0.10900 284512.000000 + 160 161 1 0.10900 284512.000000 + 158 159 1 0.10100 363171.200000 + 172 173 1 0.10900 284512.000000 + 172 174 1 0.10900 284512.000000 + 172 175 1 0.10900 284512.000000 + 170 171 1 0.10900 284512.000000 + 168 169 1 0.10100 363171.200000 + 180 181 1 0.10900 284512.000000 + 180 182 1 0.10900 284512.000000 + 180 183 1 0.10900 284512.000000 + 178 179 1 0.10100 363171.200000 [ pairs ] ; ai aj funct c0 c1 c2 c3 @@ -393,11 +512,56 @@ system1 3 101 110 1 101 111 1 120 123 1 + 119 125 1 + 119 129 1 115 120 1 115 121 1 113 123 1 111 120 1 111 121 1 + 130 133 1 + 129 135 1 + 129 139 1 + 125 130 1 + 125 131 1 + 123 133 1 + 121 130 1 + 121 131 1 + 140 143 1 + 139 145 1 + 139 156 1 + 135 140 1 + 135 141 1 + 133 143 1 + 131 140 1 + 131 141 1 + 157 160 1 + 156 162 1 + 156 166 1 + 148 156 1 + 145 157 1 + 145 158 1 + 145 152 1 + 145 153 1 + 143 151 1 + 143 160 1 + 141 148 1 + 141 157 1 + 141 158 1 + 167 170 1 + 166 172 1 + 166 176 1 + 162 167 1 + 162 168 1 + 160 170 1 + 158 167 1 + 158 168 1 + 177 180 1 + 172 177 1 + 172 178 1 + 170 180 1 + 168 177 1 + 168 178 1 6 8 1 5 10 1 4 6 1 @@ -590,8 +754,6 @@ system1 3 101 108 1 120 122 1 119 124 1 - 119 125 1 - 119 126 1 118 119 1 117 119 1 116 119 1 @@ -607,9 +769,110 @@ system1 3 111 116 1 111 117 1 111 118 1 + 130 132 1 + 129 134 1 + 128 129 1 + 127 129 1 + 126 129 1 + 124 126 1 + 124 127 1 + 124 128 1 + 124 130 1 + 124 131 1 + 123 132 1 122 124 1 122 125 1 - 122 126 1 + 122 129 1 + 121 126 1 + 121 127 1 + 121 128 1 + 140 142 1 + 139 144 1 + 138 139 1 + 137 139 1 + 136 139 1 + 134 136 1 + 134 137 1 + 134 138 1 + 134 140 1 + 134 141 1 + 133 142 1 + 132 134 1 + 132 135 1 + 132 139 1 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109.7000470 669.440000 111 113 119 1 110.1000472 527.184000 + 130 129 131 1 122.9000527 669.440000 + 129 131 133 1 121.9000522 418.400000 + 125 123 129 1 111.1000476 527.184000 + 123 129 130 1 120.4000516 669.440000 + 123 129 131 1 116.6000500 585.760000 + 121 123 125 1 109.7000470 669.440000 + 121 123 129 1 110.1000472 527.184000 + 140 139 141 1 122.9000527 669.440000 + 139 141 143 1 121.9000522 418.400000 + 135 133 139 1 111.1000476 527.184000 + 133 139 140 1 120.4000516 669.440000 + 133 139 141 1 116.6000500 585.760000 + 131 133 135 1 109.7000470 669.440000 + 131 133 139 1 110.1000472 527.184000 + 157 156 158 1 122.9000527 669.440000 + 156 158 160 1 121.9000522 418.400000 + 152 151 153 1 122.9000527 669.440000 + 148 151 152 1 120.4000516 669.440000 + 148 151 153 1 116.6000500 585.760000 + 145 143 156 1 111.1000476 527.184000 + 145 148 151 1 111.1000476 527.184000 + 143 145 148 1 109.5000469 334.720000 + 143 156 157 1 120.4000516 669.440000 + 143 156 158 1 116.6000500 585.760000 + 141 143 145 1 109.7000470 669.440000 + 141 143 156 1 110.1000472 527.184000 + 167 166 168 1 122.9000527 669.440000 + 166 168 170 1 121.9000522 418.400000 + 162 160 166 1 111.1000476 527.184000 + 160 166 167 1 120.4000516 669.440000 + 160 166 168 1 116.6000500 585.760000 + 158 160 162 1 109.7000470 669.440000 + 158 160 166 1 110.1000472 527.184000 + 177 176 178 1 122.9000527 669.440000 + 176 178 180 1 121.9000522 418.400000 + 172 170 176 1 111.1000476 527.184000 + 170 176 177 1 120.4000516 669.440000 + 170 176 178 1 116.6000500 585.760000 + 168 170 172 1 109.7000470 669.440000 + 168 170 176 1 110.1000472 527.184000 5 7 8 1 120.0000514 418.400000 4 2 5 1 109.5000469 418.400000 3 2 4 1 109.5000469 292.880000 @@ -828,13 +1131,75 @@ system1 3 113 115 118 1 109.5000469 418.400000 112 111 113 1 118.0400505 418.400000 111 113 114 1 109.5000469 418.400000 - 125 123 126 1 109.5000469 292.880000 - 124 123 125 1 109.5000469 292.880000 - 124 123 126 1 109.5000469 292.880000 + 129 131 132 1 120.0000514 418.400000 + 127 125 128 1 109.5000469 292.880000 + 126 125 127 1 109.5000469 292.880000 + 126 125 128 1 109.5000469 292.880000 + 124 123 125 1 109.5000469 418.400000 + 124 123 129 1 109.5000469 418.400000 + 123 125 126 1 109.5000469 418.400000 + 123 125 127 1 109.5000469 418.400000 + 123 125 128 1 109.5000469 418.400000 122 121 123 1 118.0400505 418.400000 121 123 124 1 109.5000469 418.400000 - 121 123 125 1 109.5000469 418.400000 - 121 123 126 1 109.5000469 418.400000 + 139 141 142 1 120.0000514 418.400000 + 137 135 138 1 109.5000469 292.880000 + 136 135 137 1 109.5000469 292.880000 + 136 135 138 1 109.5000469 292.880000 + 134 133 135 1 109.5000469 418.400000 + 134 133 139 1 109.5000469 418.400000 + 133 135 136 1 109.5000469 418.400000 + 133 135 137 1 109.5000469 418.400000 + 133 135 138 1 109.5000469 418.400000 + 132 131 133 1 118.0400505 418.400000 + 131 133 134 1 109.5000469 418.400000 + 156 158 159 1 120.0000514 418.400000 + 154 153 155 1 120.0000514 292.880000 + 151 153 154 1 120.0000514 418.400000 + 151 153 155 1 120.0000514 418.400000 + 150 148 151 1 109.5000469 418.400000 + 149 148 150 1 109.5000469 292.880000 + 149 148 151 1 109.5000469 418.400000 + 147 145 148 1 109.5000469 418.400000 + 146 145 147 1 109.5000469 292.880000 + 146 145 148 1 109.5000469 418.400000 + 145 148 149 1 109.5000469 418.400000 + 145 148 150 1 109.5000469 418.400000 + 144 143 145 1 109.5000469 418.400000 + 144 143 156 1 109.5000469 418.400000 + 143 145 146 1 109.5000469 418.400000 + 143 145 147 1 109.5000469 418.400000 + 142 141 143 1 118.0400505 418.400000 + 141 143 144 1 109.5000469 418.400000 + 166 168 169 1 120.0000514 418.400000 + 164 162 165 1 109.5000469 292.880000 + 163 162 164 1 109.5000469 292.880000 + 163 162 165 1 109.5000469 292.880000 + 161 160 162 1 109.5000469 418.400000 + 161 160 166 1 109.5000469 418.400000 + 160 162 163 1 109.5000469 418.400000 + 160 162 164 1 109.5000469 418.400000 + 160 162 165 1 109.5000469 418.400000 + 159 158 160 1 118.0400505 418.400000 + 158 160 161 1 109.5000469 418.400000 + 176 178 179 1 120.0000514 418.400000 + 174 172 175 1 109.5000469 292.880000 + 173 172 174 1 109.5000469 292.880000 + 173 172 175 1 109.5000469 292.880000 + 171 170 172 1 109.5000469 418.400000 + 171 170 176 1 109.5000469 418.400000 + 170 172 173 1 109.5000469 418.400000 + 170 172 174 1 109.5000469 418.400000 + 170 172 175 1 109.5000469 418.400000 + 169 168 170 1 118.0400505 418.400000 + 168 170 171 1 109.5000469 418.400000 + 182 180 183 1 109.5000469 292.880000 + 181 180 182 1 109.5000469 292.880000 + 181 180 183 1 109.5000469 292.880000 + 179 178 180 1 118.0400505 418.400000 + 178 180 181 1 109.5000469 418.400000 + 178 180 182 1 109.5000469 418.400000 + 178 180 183 1 109.5000469 418.400000 [ dihedrals ] ; ai aj ak al funct c0 c1 c2 c3 c4 c5 @@ -1063,6 +1428,14 @@ system1 3 101 103 109 111 1 180.0000771 2.3012000 3 101 103 109 111 1 0.0000000 0.0000000 4 120 119 121 123 1 180.0000771 10.4600000 2 + 119 121 123 125 1 0.0000000 8.3680000 1 + 119 121 123 125 1 0.0000000 7.5312000 2 + 119 121 123 125 1 0.0000000 3.3472000 3 + 119 121 123 125 1 0.0000000 0.0000000 4 + 119 121 123 129 1 0.0000000 0.0000000 1 + 119 121 123 129 1 0.0000000 1.1296800 2 + 119 121 123 129 1 0.0000000 1.7572800 3 + 119 121 123 129 1 0.0000000 0.0000000 4 115 113 119 120 1 0.0000000 0.0000000 2 115 113 119 121 1 0.0000000 0.8368000 1 115 113 119 121 1 0.0000000 0.8368000 2 @@ -1074,6 +1447,115 @@ system1 3 111 113 119 121 1 180.0000771 6.6107200 2 111 113 119 121 1 180.0000771 2.3012000 3 111 113 119 121 1 0.0000000 0.0000000 4 + 130 129 131 133 1 180.0000771 10.4600000 2 + 129 131 133 135 1 0.0000000 8.3680000 1 + 129 131 133 135 1 0.0000000 7.5312000 2 + 129 131 133 135 1 0.0000000 3.3472000 3 + 129 131 133 135 1 0.0000000 0.0000000 4 + 129 131 133 139 1 0.0000000 0.0000000 1 + 129 131 133 139 1 0.0000000 1.1296800 2 + 129 131 133 139 1 0.0000000 1.7572800 3 + 129 131 133 139 1 0.0000000 0.0000000 4 + 125 123 129 130 1 0.0000000 0.0000000 2 + 125 123 129 131 1 0.0000000 0.8368000 1 + 125 123 129 131 1 0.0000000 0.8368000 2 + 125 123 129 131 1 0.0000000 1.6736000 3 + 125 123 129 131 1 0.0000000 0.0000000 4 + 123 129 131 133 1 180.0000771 10.4600000 2 + 121 123 129 130 1 0.0000000 0.0000000 2 + 121 123 129 131 1 180.0000771 1.8828000 1 + 121 123 129 131 1 180.0000771 6.6107200 2 + 121 123 129 131 1 180.0000771 2.3012000 3 + 121 123 129 131 1 0.0000000 0.0000000 4 + 140 139 141 143 1 180.0000771 10.4600000 2 + 139 141 143 145 1 0.0000000 8.3680000 1 + 139 141 143 145 1 0.0000000 7.5312000 2 + 139 141 143 145 1 0.0000000 3.3472000 3 + 139 141 143 145 1 0.0000000 0.0000000 4 + 139 141 143 156 1 0.0000000 0.0000000 1 + 139 141 143 156 1 0.0000000 1.1296800 2 + 139 141 143 156 1 0.0000000 1.7572800 3 + 139 141 143 156 1 0.0000000 0.0000000 4 + 135 133 139 140 1 0.0000000 0.0000000 2 + 135 133 139 141 1 0.0000000 0.8368000 1 + 135 133 139 141 1 0.0000000 0.8368000 2 + 135 133 139 141 1 0.0000000 1.6736000 3 + 135 133 139 141 1 0.0000000 0.0000000 4 + 133 139 141 143 1 180.0000771 10.4600000 2 + 131 133 139 140 1 0.0000000 0.0000000 2 + 131 133 139 141 1 180.0000771 1.8828000 1 + 131 133 139 141 1 180.0000771 6.6107200 2 + 131 133 139 141 1 180.0000771 2.3012000 3 + 131 133 139 141 1 0.0000000 0.0000000 4 + 157 156 158 160 1 180.0000771 10.4600000 2 + 156 158 160 162 1 0.0000000 8.3680000 1 + 156 158 160 162 1 0.0000000 7.5312000 2 + 156 158 160 162 1 0.0000000 3.3472000 3 + 156 158 160 162 1 0.0000000 0.0000000 4 + 156 158 160 166 1 0.0000000 0.0000000 1 + 156 158 160 166 1 0.0000000 1.1296800 2 + 156 158 160 166 1 0.0000000 1.7572800 3 + 156 158 160 166 1 0.0000000 0.0000000 4 + 148 145 143 156 1 180.0000771 1.7614640 1 + 148 145 143 156 1 180.0000771 1.6443120 2 + 148 145 143 156 1 0.0000000 0.6024960 3 + 148 145 143 156 1 0.0000000 0.6066800 4 + 145 143 156 157 1 0.0000000 0.0000000 2 + 145 143 156 158 1 0.0000000 0.8368000 1 + 145 143 156 158 1 0.0000000 0.8368000 2 + 145 143 156 158 1 0.0000000 1.6736000 3 + 145 143 156 158 1 0.0000000 0.0000000 4 + 145 148 151 152 1 0.0000000 0.0000000 1 + 145 148 151 153 1 180.0000771 2.5480560 1 + 145 148 151 153 1 180.0000771 3.5354800 2 + 145 148 151 153 1 180.0000771 0.3556400 3 + 145 148 151 153 1 0.0000000 0.1757280 4 + 143 145 148 151 1 180.0000771 0.8200640 1 + 143 145 148 151 1 0.0000000 0.3472720 2 + 143 145 148 151 1 180.0000771 1.7238080 3 + 143 145 148 151 1 0.0000000 0.5773920 4 + 143 156 158 160 1 180.0000771 10.4600000 2 + 141 143 145 148 1 180.0000771 0.4184000 1 + 141 143 145 148 1 180.0000771 0.7698560 2 + 141 143 145 148 1 0.0000000 0.6024960 3 + 141 143 145 148 1 0.0000000 0.3263520 4 + 141 143 156 157 1 0.0000000 0.0000000 2 + 141 143 156 158 1 180.0000771 1.8828000 1 + 141 143 156 158 1 180.0000771 6.6107200 2 + 141 143 156 158 1 180.0000771 2.3012000 3 + 141 143 156 158 1 0.0000000 0.0000000 4 + 167 166 168 170 1 180.0000771 10.4600000 2 + 166 168 170 172 1 0.0000000 8.3680000 1 + 166 168 170 172 1 0.0000000 7.5312000 2 + 166 168 170 172 1 0.0000000 3.3472000 3 + 166 168 170 172 1 0.0000000 0.0000000 4 + 166 168 170 176 1 0.0000000 0.0000000 1 + 166 168 170 176 1 0.0000000 1.1296800 2 + 166 168 170 176 1 0.0000000 1.7572800 3 + 166 168 170 176 1 0.0000000 0.0000000 4 + 162 160 166 167 1 0.0000000 0.0000000 2 + 162 160 166 168 1 0.0000000 0.8368000 1 + 162 160 166 168 1 0.0000000 0.8368000 2 + 162 160 166 168 1 0.0000000 1.6736000 3 + 162 160 166 168 1 0.0000000 0.0000000 4 + 160 166 168 170 1 180.0000771 10.4600000 2 + 158 160 166 167 1 0.0000000 0.0000000 2 + 158 160 166 168 1 180.0000771 1.8828000 1 + 158 160 166 168 1 180.0000771 6.6107200 2 + 158 160 166 168 1 180.0000771 2.3012000 3 + 158 160 166 168 1 0.0000000 0.0000000 4 + 177 176 178 180 1 180.0000771 10.4600000 2 + 172 170 176 177 1 0.0000000 0.0000000 2 + 172 170 176 178 1 0.0000000 0.8368000 1 + 172 170 176 178 1 0.0000000 0.8368000 2 + 172 170 176 178 1 0.0000000 1.6736000 3 + 172 170 176 178 1 0.0000000 0.0000000 4 + 170 176 178 180 1 180.0000771 10.4600000 2 + 168 170 176 177 1 0.0000000 0.0000000 2 + 168 170 176 178 1 180.0000771 1.8828000 1 + 168 170 176 178 1 180.0000771 6.6107200 2 + 168 170 176 178 1 180.0000771 2.3012000 3 + 168 170 176 178 1 0.0000000 0.0000000 4 2 7 5 6 4 180.0000771 43.9320000 2 9 17 15 16 4 180.0000771 43.9320000 2 19 27 25 26 4 180.0000771 43.9320000 2 @@ -1087,6 +1569,12 @@ system1 3 91 96 94 95 4 180.0000771 43.9320000 2 103 111 109 110 4 180.0000771 43.9320000 2 113 121 119 120 4 180.0000771 43.9320000 2 + 123 131 129 130 4 180.0000771 43.9320000 2 + 133 141 139 140 4 180.0000771 43.9320000 2 + 143 158 156 157 4 180.0000771 43.9320000 2 + 148 153 151 152 4 180.0000771 43.9320000 2 + 160 168 166 167 4 180.0000771 43.9320000 2 + 170 178 176 177 4 180.0000771 43.9320000 2 6 5 7 8 1 0.0000000 8.3680000 1 6 5 7 8 1 180.0000771 10.4600000 2 5 7 9 10 1 0.0000000 0.0000000 2 @@ -1326,8 +1814,6 @@ system1 3 120 119 121 122 1 0.0000000 8.3680000 1 120 119 121 122 1 180.0000771 10.4600000 2 119 121 123 124 1 0.0000000 0.0000000 2 - 119 121 123 125 1 0.0000000 0.0000000 2 - 119 121 123 126 1 0.0000000 0.0000000 2 118 115 113 119 1 0.0000000 0.6508444 3 117 115 113 119 1 0.0000000 0.6508444 3 116 115 113 119 1 0.0000000 0.6508444 3 @@ -1345,9 +1831,131 @@ system1 3 111 113 115 116 1 0.0000000 0.6508444 3 111 113 115 117 1 0.0000000 0.6508444 3 111 113 115 118 1 0.0000000 0.6508444 3 + 130 129 131 132 1 0.0000000 8.3680000 1 + 130 129 131 132 1 180.0000771 10.4600000 2 + 129 131 133 134 1 0.0000000 0.0000000 2 + 128 125 123 129 1 0.0000000 0.6508444 3 + 127 125 123 129 1 0.0000000 0.6508444 3 + 126 125 123 129 1 0.0000000 0.6508444 3 + 124 123 125 126 1 0.0000000 0.6508444 3 + 124 123 125 127 1 0.0000000 0.6508444 3 + 124 123 125 128 1 0.0000000 0.6508444 3 + 124 123 129 130 1 0.0000000 3.3472000 1 + 124 123 129 130 1 0.0000000 0.0000000 2 + 124 123 129 130 1 180.0000771 0.3347200 3 + 124 123 129 131 1 0.0000000 0.0000000 2 + 123 129 131 132 1 180.0000771 10.4600000 2 122 121 123 124 1 0.0000000 0.0000000 2 122 121 123 125 1 0.0000000 0.0000000 2 - 122 121 123 126 1 0.0000000 0.0000000 2 + 122 121 123 129 1 0.0000000 0.0000000 2 + 121 123 125 126 1 0.0000000 0.6508444 3 + 121 123 125 127 1 0.0000000 0.6508444 3 + 121 123 125 128 1 0.0000000 0.6508444 3 + 140 139 141 142 1 0.0000000 8.3680000 1 + 140 139 141 142 1 180.0000771 10.4600000 2 + 139 141 143 144 1 0.0000000 0.0000000 2 + 138 135 133 139 1 0.0000000 0.6508444 3 + 137 135 133 139 1 0.0000000 0.6508444 3 + 136 135 133 139 1 0.0000000 0.6508444 3 + 134 133 135 136 1 0.0000000 0.6508444 3 + 134 133 135 137 1 0.0000000 0.6508444 3 + 134 133 135 138 1 0.0000000 0.6508444 3 + 134 133 139 140 1 0.0000000 3.3472000 1 + 134 133 139 140 1 0.0000000 0.0000000 2 + 134 133 139 140 1 180.0000771 0.3347200 3 + 134 133 139 141 1 0.0000000 0.0000000 2 + 133 139 141 142 1 180.0000771 10.4600000 2 + 132 131 133 134 1 0.0000000 0.0000000 2 + 132 131 133 135 1 0.0000000 0.0000000 2 + 132 131 133 139 1 0.0000000 0.0000000 2 + 131 133 135 136 1 0.0000000 0.6508444 3 + 131 133 135 137 1 0.0000000 0.6508444 3 + 131 133 135 138 1 0.0000000 0.6508444 3 + 157 156 158 159 1 0.0000000 8.3680000 1 + 157 156 158 159 1 180.0000771 10.4600000 2 + 156 158 160 161 1 0.0000000 0.0000000 2 + 152 151 153 154 1 0.0000000 8.3680000 1 + 152 151 153 154 1 180.0000771 10.4600000 2 + 152 151 153 155 1 0.0000000 8.3680000 1 + 152 151 153 155 1 180.0000771 10.4600000 2 + 150 148 151 152 1 0.0000000 3.3472000 1 + 150 148 151 152 1 0.0000000 0.0000000 2 + 150 148 151 152 1 180.0000771 0.3347200 3 + 150 148 151 153 1 0.0000000 0.0000000 2 + 149 148 151 152 1 0.0000000 3.3472000 1 + 149 148 151 152 1 0.0000000 0.0000000 2 + 149 148 151 152 1 180.0000771 0.3347200 3 + 149 148 151 153 1 0.0000000 0.0000000 2 + 148 151 153 154 1 180.0000771 10.4600000 2 + 148 151 153 155 1 180.0000771 10.4600000 2 + 147 145 143 156 1 0.0000000 0.6508444 3 + 147 145 148 149 1 0.0000000 0.6276000 3 + 147 145 148 150 1 0.0000000 0.6276000 3 + 147 145 148 151 1 0.0000000 0.6508444 3 + 146 145 143 156 1 0.0000000 0.6508444 3 + 146 145 148 149 1 0.0000000 0.6276000 3 + 146 145 148 150 1 0.0000000 0.6276000 3 + 146 145 148 151 1 0.0000000 0.6508444 3 + 144 143 145 146 1 0.0000000 0.6508444 3 + 144 143 145 147 1 0.0000000 0.6508444 3 + 144 143 145 148 1 0.0000000 0.6508444 3 + 144 143 156 157 1 0.0000000 3.3472000 1 + 144 143 156 157 1 0.0000000 0.0000000 2 + 144 143 156 157 1 180.0000771 0.3347200 3 + 144 143 156 158 1 0.0000000 0.0000000 2 + 143 145 148 149 1 0.0000000 0.6694400 3 + 143 145 148 150 1 0.0000000 0.6694400 3 + 143 156 158 159 1 180.0000771 10.4600000 2 + 142 141 143 144 1 0.0000000 0.0000000 2 + 142 141 143 145 1 0.0000000 0.0000000 2 + 142 141 143 156 1 0.0000000 0.0000000 2 + 141 143 145 146 1 0.0000000 0.6508444 3 + 141 143 145 147 1 0.0000000 0.6508444 3 + 167 166 168 169 1 0.0000000 8.3680000 1 + 167 166 168 169 1 180.0000771 10.4600000 2 + 166 168 170 171 1 0.0000000 0.0000000 2 + 165 162 160 166 1 0.0000000 0.6508444 3 + 164 162 160 166 1 0.0000000 0.6508444 3 + 163 162 160 166 1 0.0000000 0.6508444 3 + 161 160 162 163 1 0.0000000 0.6508444 3 + 161 160 162 164 1 0.0000000 0.6508444 3 + 161 160 162 165 1 0.0000000 0.6508444 3 + 161 160 166 167 1 0.0000000 3.3472000 1 + 161 160 166 167 1 0.0000000 0.0000000 2 + 161 160 166 167 1 180.0000771 0.3347200 3 + 161 160 166 168 1 0.0000000 0.0000000 2 + 160 166 168 169 1 180.0000771 10.4600000 2 + 159 158 160 161 1 0.0000000 0.0000000 2 + 159 158 160 162 1 0.0000000 0.0000000 2 + 159 158 160 166 1 0.0000000 0.0000000 2 + 158 160 162 163 1 0.0000000 0.6508444 3 + 158 160 162 164 1 0.0000000 0.6508444 3 + 158 160 162 165 1 0.0000000 0.6508444 3 + 177 176 178 179 1 0.0000000 8.3680000 1 + 177 176 178 179 1 180.0000771 10.4600000 2 + 176 178 180 181 1 0.0000000 0.0000000 2 + 176 178 180 182 1 0.0000000 0.0000000 2 + 176 178 180 183 1 0.0000000 0.0000000 2 + 175 172 170 176 1 0.0000000 0.6508444 3 + 174 172 170 176 1 0.0000000 0.6508444 3 + 173 172 170 176 1 0.0000000 0.6508444 3 + 171 170 172 173 1 0.0000000 0.6508444 3 + 171 170 172 174 1 0.0000000 0.6508444 3 + 171 170 172 175 1 0.0000000 0.6508444 3 + 171 170 176 177 1 0.0000000 3.3472000 1 + 171 170 176 177 1 0.0000000 0.0000000 2 + 171 170 176 177 1 180.0000771 0.3347200 3 + 171 170 176 178 1 0.0000000 0.0000000 2 + 170 176 178 179 1 180.0000771 10.4600000 2 + 169 168 170 171 1 0.0000000 0.0000000 2 + 169 168 170 172 1 0.0000000 0.0000000 2 + 169 168 170 176 1 0.0000000 0.0000000 2 + 168 170 172 173 1 0.0000000 0.6508444 3 + 168 170 172 174 1 0.0000000 0.6508444 3 + 168 170 172 175 1 0.0000000 0.6508444 3 + 179 178 180 181 1 0.0000000 0.0000000 2 + 179 178 180 182 1 0.0000000 0.0000000 2 + 179 178 180 183 1 0.0000000 0.0000000 2 5 9 7 8 4 180.0000771 4.6024000 2 15 19 17 18 4 180.0000771 4.6024000 2 37 40 39 41 4 180.0000771 4.1840000 2 @@ -1361,6 +1969,12 @@ system1 3 99 103 101 102 4 180.0000771 4.6024000 2 109 113 111 112 4 180.0000771 4.6024000 2 119 123 121 122 4 180.0000771 4.6024000 2 + 129 133 131 132 4 180.0000771 4.6024000 2 + 151 154 153 155 4 180.0000771 4.1840000 2 + 139 143 141 142 4 180.0000771 4.6024000 2 + 156 160 158 159 4 180.0000771 4.6024000 2 + 166 170 168 169 4 180.0000771 4.6024000 2 + 176 180 178 179 4 180.0000771 4.6024000 2 [ system ] ; Name diff --git a/examples/parameterize_peptide/output/short_peptide.pdb b/examples/parameterize_peptide/output/short_peptide.pdb index d69c6f67..3fd12ebc 100644 --- a/examples/parameterize_peptide/output/short_peptide.pdb +++ b/examples/parameterize_peptide/output/short_peptide.pdb @@ -1,64 +1,94 @@ -ATOM 1 C ACE 0 4.311 -0.557 -6.086 1.00 0.00 C -ATOM 2 O ACE 0 3.889 0.373 -6.786 1.00 0.00 O -ATOM 3 CH3 ACE 0 3.619 -1.903 -6.077 1.00 0.00 C -ATOM 4 N ALA 1 5.357 -0.375 -5.353 1.00 0.00 N -ATOM 5 CA ALA 1 6.033 0.919 -5.353 1.00 0.00 C -ATOM 6 C ALA 1 7.533 0.745 -5.353 1.00 0.00 C -ATOM 7 O ALA 1 8.268 1.379 -6.120 1.00 0.00 O -ATOM 8 CB ALA 1 5.525 1.711 -4.136 1.00 0.00 C -ATOM 9 N ALA 2 8.065 -0.092 -4.527 1.00 0.00 N -ATOM 10 CA ALA 2 9.516 -0.260 -4.528 1.00 0.00 C -ATOM 11 C ALA 2 10.013 -0.661 -5.896 1.00 0.00 C -ATOM 12 O ALA 2 10.985 -0.112 -6.428 1.00 0.00 O -ATOM 13 CB ALA 2 9.866 -1.290 -3.440 1.00 0.00 C -ATOM 14 N GLN 3 9.405 -1.606 -6.530 1.00 0.00 N -ATOM 15 CA GLN 3 9.885 -1.994 -7.852 1.00 0.00 C -ATOM 16 C GLN 3 9.897 -0.813 -8.793 1.00 0.00 C -ATOM 17 O GLN 3 10.865 -0.559 -9.507 1.00 0.00 O -ATOM 18 CB GLN 3 8.983 -3.125 -8.394 1.00 0.00 C -ATOM 19 CG GLN 3 9.371 -3.708 -9.793 1.00 0.00 C -ATOM 20 CD GLN 3 8.486 -4.791 -10.422 1.00 0.00 C -ATOM 21 NE2 GLN 3 7.431 -5.227 -9.784 1.00 0.00 N -ATOM 22 OE1 GLN 3 8.735 -5.243 -11.530 1.00 0.00 O -ATOM 23 N ALA 4 8.860 -0.048 -8.850 1.00 0.00 N -ATOM 24 CA ALA 4 8.872 1.094 -9.760 1.00 0.00 C -ATOM 25 C ALA 4 10.039 2.006 -9.467 1.00 0.00 C -ATOM 26 O ALA 4 10.775 2.438 -10.362 1.00 0.00 O -ATOM 27 CB ALA 4 7.514 1.805 -9.635 1.00 0.00 C -ATOM 28 N ALA 5 10.277 2.344 -8.245 1.00 0.00 N -ATOM 29 CA ALA 5 11.405 3.226 -7.962 1.00 0.00 C -ATOM 30 C ALA 5 12.695 2.637 -8.482 1.00 0.00 C -ATOM 31 O ALA 5 13.504 3.306 -9.136 1.00 0.00 O -ATOM 32 CB ALA 5 11.433 3.476 -6.444 1.00 0.00 C -ATOM 33 N ALA 6 12.960 1.399 -8.236 1.00 0.00 N -ATOM 34 CA ALA 6 14.207 0.830 -8.739 1.00 0.00 C -ATOM 35 C ALA 6 14.304 0.981 -10.239 1.00 0.00 C -ATOM 36 O ALA 6 15.328 1.398 -10.792 1.00 0.00 O -ATOM 37 CB ALA 6 14.268 -0.638 -8.283 1.00 0.00 C -ATOM 38 N ALA 7 13.286 0.664 -10.966 1.00 0.00 N -ATOM 39 CA ALA 7 13.380 0.809 -12.415 1.00 0.00 C -ATOM 40 C ALA 7 13.728 2.229 -12.794 1.00 0.00 C -ATOM 41 O ALA 7 14.612 2.489 -13.620 1.00 0.00 O -ATOM 42 CB ALA 7 12.044 0.342 -13.018 1.00 0.00 C -ATOM 43 N GLN 8 13.085 3.200 -12.240 1.00 0.00 N -ATOM 44 CA GLN 8 13.421 4.572 -12.606 1.00 0.00 C -ATOM 45 C GLN 8 14.883 4.857 -12.357 1.00 0.00 C -ATOM 46 O GLN 8 15.589 5.415 -13.195 1.00 0.00 O -ATOM 47 CB GLN 8 12.524 5.534 -11.795 1.00 0.00 C -ATOM 48 CG GLN 8 12.709 7.060 -12.087 1.00 0.00 C -ATOM 49 CD GLN 8 11.897 8.079 -11.277 1.00 0.00 C -ATOM 50 NE2 GLN 8 11.051 7.667 -10.367 1.00 0.00 N -ATOM 51 OE1 GLN 8 12.041 9.279 -11.448 1.00 0.00 O -ATOM 52 N ALA 9 15.408 4.503 -11.233 1.00 0.00 N -ATOM 53 CA ALA 9 16.821 4.779 -10.994 1.00 0.00 C -ATOM 54 C ALA 9 17.683 4.151 -12.063 1.00 0.00 C -ATOM 55 O ALA 9 18.588 4.777 -12.628 1.00 0.00 O -ATOM 56 CB ALA 9 17.163 4.275 -9.581 1.00 0.00 C -ATOM 57 N ALA 10 17.467 2.924 -12.399 1.00 0.00 N -ATOM 58 CA ALA 10 18.300 2.317 -13.432 1.00 0.00 C -ATOM 59 C ALA 10 18.233 3.110 -14.716 1.00 0.00 C -ATOM 60 O ALA 10 17.162 3.525 -15.175 1.00 0.00 O -ATOM 61 CB ALA 10 17.839 0.860 -13.608 1.00 0.00 C -ATOM 62 N NME 11 19.326 3.364 -15.352 1.00 0.00 N -ATOM 63 C NME 11 19.287 4.125 -16.588 1.00 0.00 C +ATOM 1 C ACE 0 -1.723 -1.412 -1.223 1.00 0.00 C +ATOM 2 O ACE 0 -2.146 -0.482 -1.923 1.00 0.00 O +ATOM 3 CH3 ACE 0 -2.415 -2.758 -1.215 1.00 0.00 C +ATOM 4 N ALA 1 -0.677 -1.230 -0.491 1.00 0.00 N +ATOM 5 CA ALA 1 -0.001 0.064 -0.491 1.00 0.00 C +ATOM 6 C ALA 1 1.499 -0.110 -0.491 1.00 0.00 C +ATOM 7 O ALA 1 2.233 0.524 -1.257 1.00 0.00 O +ATOM 8 CB ALA 1 -0.509 0.856 0.727 1.00 0.00 C +ATOM 9 N ALA 2 2.031 -0.947 0.335 1.00 0.00 N +ATOM 10 CA ALA 2 3.481 -1.115 0.335 1.00 0.00 C +ATOM 11 C ALA 2 3.979 -1.516 -1.034 1.00 0.00 C +ATOM 12 O ALA 2 4.951 -0.967 -1.565 1.00 0.00 O +ATOM 13 CB ALA 2 3.832 -2.145 1.422 1.00 0.00 C +ATOM 14 N GLN 3 3.371 -2.461 -1.667 1.00 0.00 N +ATOM 15 CA GLN 3 3.851 -2.849 -2.990 1.00 0.00 C +ATOM 16 C GLN 3 3.863 -1.668 -3.931 1.00 0.00 C +ATOM 17 O GLN 3 4.831 -1.414 -4.644 1.00 0.00 O +ATOM 18 CB GLN 3 2.949 -3.980 -3.532 1.00 0.00 C +ATOM 19 CG GLN 3 3.337 -4.563 -4.930 1.00 0.00 C +ATOM 20 CD GLN 3 2.452 -5.646 -5.560 1.00 0.00 C +ATOM 21 NE2 GLN 3 1.397 -6.082 -4.921 1.00 0.00 N +ATOM 22 OE1 GLN 3 2.700 -6.098 -6.667 1.00 0.00 O +ATOM 23 N ALA 4 2.826 -0.903 -3.988 1.00 0.00 N +ATOM 24 CA ALA 4 2.838 0.239 -4.898 1.00 0.00 C +ATOM 25 C ALA 4 4.005 1.151 -4.605 1.00 0.00 C +ATOM 26 O ALA 4 4.741 1.583 -5.500 1.00 0.00 O +ATOM 27 CB ALA 4 1.480 0.950 -4.773 1.00 0.00 C +ATOM 28 N ALA 5 4.242 1.489 -3.383 1.00 0.00 N +ATOM 29 CA ALA 5 5.371 2.371 -3.100 1.00 0.00 C +ATOM 30 C ALA 5 6.661 1.782 -3.620 1.00 0.00 C +ATOM 31 O ALA 5 7.470 2.451 -4.274 1.00 0.00 O +ATOM 32 CB ALA 5 5.399 2.621 -1.582 1.00 0.00 C +ATOM 33 N ALA 6 6.926 0.544 -3.374 1.00 0.00 N +ATOM 34 CA ALA 6 8.173 -0.025 -3.877 1.00 0.00 C +ATOM 35 C ALA 6 8.270 0.126 -5.376 1.00 0.00 C +ATOM 36 O ALA 6 9.294 0.543 -5.929 1.00 0.00 O +ATOM 37 CB ALA 6 8.234 -1.493 -3.420 1.00 0.00 C +ATOM 38 N ALA 7 7.252 -0.191 -6.103 1.00 0.00 N +ATOM 39 CA ALA 7 7.346 -0.046 -7.553 1.00 0.00 C +ATOM 40 C ALA 7 7.694 1.374 -7.932 1.00 0.00 C +ATOM 41 O ALA 7 8.577 1.634 -8.758 1.00 0.00 O +ATOM 42 CB ALA 7 6.010 -0.513 -8.156 1.00 0.00 C +ATOM 43 N GLN 8 7.051 2.345 -7.377 1.00 0.00 N +ATOM 44 CA GLN 8 7.387 3.717 -7.743 1.00 0.00 C +ATOM 45 C GLN 8 8.849 4.002 -7.495 1.00 0.00 C +ATOM 46 O GLN 8 9.555 4.560 -8.333 1.00 0.00 O +ATOM 47 CB GLN 8 6.490 4.679 -6.933 1.00 0.00 C +ATOM 48 CG GLN 8 6.675 6.205 -7.224 1.00 0.00 C +ATOM 49 CD GLN 8 5.862 7.224 -6.415 1.00 0.00 C +ATOM 50 NE2 GLN 8 5.016 6.812 -5.505 1.00 0.00 N +ATOM 51 OE1 GLN 8 6.007 8.424 -6.585 1.00 0.00 O +ATOM 52 N ALA 9 9.374 3.648 -6.371 1.00 0.00 N +ATOM 53 CA ALA 9 10.787 3.924 -6.132 1.00 0.00 C +ATOM 54 C ALA 9 11.648 3.296 -7.201 1.00 0.00 C +ATOM 55 O ALA 9 12.554 3.921 -7.766 1.00 0.00 O +ATOM 56 CB ALA 9 11.129 3.420 -4.719 1.00 0.00 C +ATOM 57 N ALA 10 11.433 2.069 -7.536 1.00 0.00 N +ATOM 58 CA ALA 10 12.266 1.462 -8.570 1.00 0.00 C +ATOM 59 C ALA 10 12.199 2.255 -9.853 1.00 0.00 C +ATOM 60 O ALA 10 13.214 2.561 -10.489 1.00 0.00 O +ATOM 61 CB ALA 10 11.804 0.005 -8.746 1.00 0.00 C +ATOM 62 N ALA 11 11.046 2.625 -10.300 1.00 0.00 N +ATOM 63 CA ALA 11 10.981 3.392 -11.540 1.00 0.00 C +ATOM 64 C ALA 11 11.806 4.653 -11.440 1.00 0.00 C +ATOM 65 O ALA 11 12.592 4.996 -12.331 1.00 0.00 O +ATOM 66 CB ALA 11 9.499 3.672 -11.839 1.00 0.00 C +ATOM 67 N ALA 12 11.687 5.396 -10.392 1.00 0.00 N +ATOM 68 CA ALA 12 12.485 6.615 -10.294 1.00 0.00 C +ATOM 69 C ALA 12 13.958 6.307 -10.414 1.00 0.00 C +ATOM 70 O ALA 12 14.706 6.958 -11.154 1.00 0.00 O +ATOM 71 CB ALA 12 12.126 7.303 -8.966 1.00 0.00 C +ATOM 72 N GLN 13 14.452 5.336 -9.724 1.00 0.00 N +ATOM 73 CA GLN 13 15.876 5.039 -9.839 1.00 0.00 C +ATOM 74 C GLN 13 16.257 4.755 -11.273 1.00 0.00 C +ATOM 75 O GLN 13 17.242 5.269 -11.798 1.00 0.00 O +ATOM 76 CB GLN 13 16.206 3.833 -8.930 1.00 0.00 C +ATOM 77 CG GLN 13 17.705 3.392 -8.885 1.00 0.00 C +ATOM 78 CD GLN 13 18.098 2.165 -8.052 1.00 0.00 C +ATOM 79 NE2 GLN 13 17.186 1.512 -7.378 1.00 0.00 N +ATOM 80 OE1 GLN 13 19.252 1.765 -8.023 1.00 0.00 O +ATOM 81 N ALA 14 15.527 3.949 -11.966 1.00 0.00 N +ATOM 82 CA ALA 14 15.896 3.675 -13.352 1.00 0.00 C +ATOM 83 C ALA 14 15.971 4.953 -14.153 1.00 0.00 C +ATOM 84 O ALA 14 16.924 5.204 -14.900 1.00 0.00 O +ATOM 85 CB ALA 14 14.873 2.675 -13.919 1.00 0.00 C +ATOM 86 N ALA 15 15.010 5.809 -14.056 1.00 0.00 N +ATOM 87 CA ALA 15 15.083 7.044 -14.831 1.00 0.00 C +ATOM 88 C ALA 15 16.347 7.807 -14.514 1.00 0.00 C +ATOM 89 O ALA 15 16.740 7.972 -13.353 1.00 0.00 O +ATOM 90 CB ALA 15 13.808 7.854 -14.539 1.00 0.00 C +TER +ATOM 91 N NME 16 17.038 8.303 -15.484 1.00 0.00 N +ATOM 92 C NME 16 18.257 9.042 -15.203 1.00 0.00 C END diff --git a/setup.py b/setup.py index cbdbeb54..d50f0cdd 100644 --- a/setup.py +++ b/setup.py @@ -75,7 +75,7 @@ 'REMD_setup = terphenyl_simulations.scripts:REMD_setup', 'metad_analysis = terphenyl_simulations.analysis_workflows.metad:main', 'bemetad_analysis = terphenyl_simulations.analysis_workflows.bemetad:main', - 'md_analysis = terphenyl_simulations.analysis_workflows.md_temperature:main' + 'md_analysis = terphenyl_simulations.analysis_workflows.md_temperature:main', 'RMSD_demux = terphenyl_simulations.scripts:RMSD_demux', ] } diff --git a/simulations/helical_peptide_control/md/t_250/berendsen_npt.gro b/simulations/helical_peptide_control/md/long_peptide/t_250/berendsen_npt.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_250/berendsen_npt.gro rename to simulations/helical_peptide_control/md/long_peptide/t_250/berendsen_npt.gro diff --git a/simulations/helical_peptide_control/md/t_250/berendsen_npt.mdp b/simulations/helical_peptide_control/md/long_peptide/t_250/berendsen_npt.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_250/berendsen_npt.mdp rename to simulations/helical_peptide_control/md/long_peptide/t_250/berendsen_npt.mdp diff --git a/simulations/helical_peptide_control/md/t_250/berendsen_nvt.gro b/simulations/helical_peptide_control/md/long_peptide/t_250/berendsen_nvt.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_250/berendsen_nvt.gro rename to simulations/helical_peptide_control/md/long_peptide/t_250/berendsen_nvt.gro diff --git a/simulations/helical_peptide_control/md/t_250/berendsen_nvt.mdp b/simulations/helical_peptide_control/md/long_peptide/t_250/berendsen_nvt.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_250/berendsen_nvt.mdp rename to simulations/helical_peptide_control/md/long_peptide/t_250/berendsen_nvt.mdp diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/em.mdp b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/em.mdp new file mode 100644 index 00000000..4d8c751d --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/em.mdp @@ -0,0 +1,6 @@ +title = Energy Minimization +integrator=steep +nsteps = -1 +cutoff-scheme = verlet +nstlist = 40 + diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/em_solvated.gro b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/em_solvated.gro new file mode 100644 index 00000000..616a450b --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/em_solvated.gro @@ -0,0 +1,6601 @@ +Solvated (AAQAA)3 peptide + 6598 + 1ACE H1 1 3.073 4.347 2.849 + 1ACE CH3 2 3.084 4.329 2.742 + 1ACE H2 3 3.160 4.396 2.701 + 1ACE H3 4 2.989 4.349 2.692 + 1ACE C 5 3.122 4.185 2.719 + 1ACE O 6 3.039 4.105 2.679 + 2ALA N 7 3.249 4.153 2.744 + 2ALA H 8 3.310 4.226 2.775 + 2ALA CA 9 3.308 4.024 2.705 + 2ALA HA 10 3.248 3.981 2.624 + 2ALA CB 11 3.448 4.053 2.647 + 2ALA HB1 12 3.492 3.959 2.612 + 2ALA HB2 13 3.439 4.121 2.563 + 2ALA HB3 14 3.512 4.097 2.724 + 2ALA C 15 3.313 3.918 2.817 + 2ALA O 16 3.269 3.805 2.795 + 3ALA N 17 3.365 3.952 2.936 + 3ALA H 18 3.400 4.045 2.949 + 3ALA CA 19 3.392 3.851 3.040 + 3ALA HA 20 3.463 3.778 2.999 + 3ALA CB 21 3.461 3.921 3.158 + 3ALA HB1 22 3.488 3.847 3.234 + 3ALA HB2 23 3.552 3.972 3.125 + 3ALA HB3 24 3.394 3.995 3.203 + 3ALA C 25 3.267 3.773 3.085 + 3ALA O 26 3.272 3.650 3.098 + 4GLN N 27 3.153 3.842 3.101 + 4GLN H 28 3.157 3.942 3.090 + 4GLN CA 29 3.024 3.780 3.133 + 4GLN HA 30 3.034 3.728 3.229 + 4GLN CB 31 2.919 3.892 3.149 + 4GLN HB2 32 2.948 3.954 3.234 + 4GLN HB3 33 2.918 3.953 3.059 + 4GLN CG 34 2.778 3.836 3.174 + 4GLN HG2 35 2.743 3.785 3.085 + 4GLN HG3 36 2.782 3.764 3.256 + 4GLN CD 37 2.672 3.941 3.210 + 4GLN OE1 38 2.568 3.909 3.265 + 4GLN NE2 39 2.691 4.069 3.186 + 4GLN HE21 40 2.774 4.104 3.143 + 4GLN HE22 41 2.616 4.128 3.215 + 4GLN C 42 2.980 3.676 3.029 + 4GLN O 43 2.932 3.569 3.066 + 5ALA N 44 2.996 3.705 2.899 + 5ALA H 45 3.042 3.791 2.873 + 5ALA CA 46 2.959 3.613 2.792 + 5ALA HA 47 2.856 3.581 2.807 + 5ALA CB 48 2.968 3.688 2.659 + 5ALA HB1 49 2.933 3.623 2.578 + 5ALA HB2 50 2.905 3.777 2.662 + 5ALA HB3 51 3.071 3.718 2.639 + 5ALA C 52 3.046 3.486 2.792 + 5ALA O 53 2.995 3.375 2.774 + 6ALA N 54 3.177 3.501 2.816 + 6ALA H 55 3.214 3.595 2.828 + 6ALA CA 56 3.269 3.388 2.829 + 6ALA HA 57 3.262 3.327 2.738 + 6ALA CB 58 3.412 3.442 2.840 + 6ALA HB1 59 3.482 3.359 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1816SOL HW1 5547 1.806 4.438 2.333 + 1816SOL HW2 5548 1.714 4.375 2.231 + 1817SOL OW 5549 0.166 4.762 0.895 + 1817SOL HW1 5550 0.178 4.831 0.830 + 1817SOL HW2 5551 0.191 4.681 0.849 + 1818SOL OW 5552 0.933 5.836 1.576 + 1818SOL HW1 5553 0.953 5.742 1.575 + 1818SOL HW2 5554 0.971 5.870 1.495 + 1819SOL OW 5555 1.632 1.012 3.825 + 1819SOL HW1 5556 1.583 0.979 3.750 + 1819SOL HW2 5557 1.577 0.991 3.901 + 1820SOL OW 5558 4.383 3.184 2.473 + 1820SOL HW1 5559 4.371 3.265 2.522 + 1820SOL HW2 5560 4.463 3.197 2.423 + 1821SOL OW 5561 1.929 5.474 2.259 + 1821SOL HW1 5562 1.897 5.477 2.349 + 1821SOL HW2 5563 2.025 5.474 2.268 + 1822SOL OW 5564 1.740 5.973 5.012 + 1822SOL HW1 5565 1.832 5.981 4.987 + 1822SOL HW2 5566 1.697 5.936 4.935 + 1823SOL OW 5567 3.552 0.470 4.796 + 1823SOL HW1 5568 3.595 0.438 4.717 + 1823SOL HW2 5569 3.462 0.437 4.790 + 1824SOL OW 5570 2.783 5.178 2.701 + 1824SOL HW1 5571 2.771 5.271 2.684 + 1824SOL HW2 5572 2.760 5.135 2.619 + 1825SOL OW 5573 2.617 5.581 4.633 + 1825SOL HW1 5574 2.704 5.540 4.629 + 1825SOL HW2 5575 2.564 5.518 4.682 + 1826SOL OW 5576 5.555 5.022 5.312 + 1826SOL HW1 5577 5.558 5.109 5.273 + 1826SOL HW2 5578 5.462 5.000 5.318 + 1827SOL OW 5579 2.417 5.159 1.342 + 1827SOL HW1 5580 2.490 5.202 1.386 + 1827SOL HW2 5581 2.435 5.172 1.249 + 1828SOL OW 5582 1.073 4.774 1.157 + 1828SOL HW1 5583 1.103 4.863 1.142 + 1828SOL HW2 5584 0.993 4.766 1.107 + 1829SOL OW 5585 3.603 4.190 0.092 + 1829SOL HW1 5586 3.579 4.276 0.058 + 1829SOL HW2 5587 3.615 4.204 0.186 + 1830SOL OW 5588 4.020 1.376 0.362 + 1830SOL HW1 5589 3.996 1.421 0.443 + 1830SOL HW2 5590 4.115 1.376 0.361 + 1831SOL OW 5591 3.160 5.349 3.284 + 1831SOL HW1 5592 3.111 5.356 3.202 + 1831SOL HW2 5593 3.251 5.367 3.260 + 1832SOL OW 5594 2.393 2.263 4.450 + 1832SOL HW1 5595 2.344 2.306 4.519 + 1832SOL HW2 5596 2.419 2.333 4.391 + 1833SOL OW 5597 0.619 0.881 0.214 + 1833SOL HW1 5598 0.673 0.921 0.146 + 1833SOL HW2 5599 0.546 0.841 0.167 + 1834SOL OW 5600 2.852 3.082 5.369 + 1834SOL HW1 5601 2.940 3.109 5.395 + 1834SOL HW2 5602 2.793 3.145 5.412 + 1835SOL OW 5603 5.357 3.788 1.348 + 1835SOL HW1 5604 5.452 3.778 1.356 + 1835SOL HW2 5605 5.338 3.869 1.395 + 1836SOL OW 5606 4.913 5.402 1.768 + 1836SOL HW1 5607 4.971 5.327 1.781 + 1836SOL HW2 5608 4.934 5.433 1.680 + 1837SOL OW 5609 0.736 5.230 3.838 + 1837SOL HW1 5610 0.704 5.148 3.876 + 1837SOL HW2 5611 0.830 5.216 3.828 + 1838SOL OW 5612 1.321 3.339 3.402 + 1838SOL HW1 5613 1.254 3.312 3.465 + 1838SOL HW2 5614 1.354 3.257 3.366 + 1839SOL OW 5615 1.431 1.501 5.726 + 1839SOL HW1 5616 1.492 1.459 5.788 + 1839SOL HW2 5617 1.413 1.586 5.766 + 1840SOL OW 5618 1.421 4.248 3.034 + 1840SOL HW1 5619 1.355 4.314 3.059 + 1840SOL HW2 5620 1.472 4.235 3.114 + 1841SOL OW 5621 4.451 4.130 4.031 + 1841SOL HW1 5622 4.505 4.073 3.977 + 1841SOL HW2 5623 4.466 4.099 4.121 + 1842SOL OW 5624 2.791 2.246 5.575 + 1842SOL HW1 5625 2.856 2.310 5.603 + 1842SOL HW2 5626 2.831 2.161 5.596 + 1843SOL OW 5627 1.535 0.855 0.989 + 1843SOL HW1 5628 1.500 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HW2 5710 4.260 2.335 1.272 + 1871SOL OW 5711 3.460 2.670 5.503 + 1871SOL HW1 5712 3.394 2.738 5.492 + 1871SOL HW2 5713 3.483 2.643 5.414 + 1872SOL OW 5714 0.693 4.819 3.398 + 1872SOL HW1 5715 0.713 4.743 3.344 + 1872SOL HW2 5716 0.765 4.825 3.460 + 1873SOL OW 5717 4.827 3.275 2.345 + 1873SOL HW1 5718 4.872 3.199 2.384 + 1873SOL HW2 5719 4.896 3.340 2.333 + 1874SOL OW 5720 2.973 4.632 3.955 + 1874SOL HW1 5721 2.971 4.619 3.861 + 1874SOL HW2 5722 3.059 4.602 3.983 + 1875SOL OW 5723 5.894 5.884 3.124 + 1875SOL HW1 5724 5.856 5.859 3.209 + 1875SOL HW2 5725 5.827 5.861 3.060 + 1876SOL OW 5726 5.823 0.300 0.416 + 1876SOL HW1 5727 5.812 0.245 0.493 + 1876SOL HW2 5728 5.890 0.364 0.441 + 1877SOL OW 5729 5.192 1.534 3.697 + 1877SOL HW1 5730 5.170 1.588 3.621 + 1877SOL HW2 5731 5.237 1.458 3.661 + 1878SOL OW 5732 1.580 1.930 2.418 + 1878SOL HW1 5733 1.585 1.916 2.513 + 1878SOL HW2 5734 1.617 2.017 2.405 + 1879SOL OW 5735 1.756 0.879 3.158 + 1879SOL HW1 5736 1.832 0.865 3.102 + 1879SOL HW2 5737 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2.414 0.915 + 1889SOL OW 5765 5.454 5.469 4.565 + 1889SOL HW1 5766 5.486 5.392 4.518 + 1889SOL HW2 5767 5.360 5.472 4.547 + 1890SOL OW 5768 4.703 4.076 3.238 + 1890SOL HW1 5769 4.688 3.999 3.293 + 1890SOL HW2 5770 4.716 4.039 3.150 + 1891SOL OW 5771 5.349 5.037 4.475 + 1891SOL HW1 5772 5.305 5.029 4.559 + 1891SOL HW2 5773 5.440 5.012 4.492 + 1892SOL OW 5774 0.806 5.853 5.047 + 1892SOL HW1 5775 0.800 5.905 4.967 + 1892SOL HW2 5776 0.892 5.811 5.042 + 1893SOL OW 5777 0.705 4.585 0.668 + 1893SOL HW1 5778 0.709 4.675 0.701 + 1893SOL HW2 5779 0.653 4.591 0.588 + 1894SOL OW 5780 1.383 1.131 0.894 + 1894SOL HW1 5781 1.376 1.046 0.938 + 1894SOL HW2 5782 1.467 1.166 0.923 + 1895SOL OW 5783 0.901 3.835 2.170 + 1895SOL HW1 5784 0.849 3.873 2.241 + 1895SOL HW2 5785 0.836 3.810 2.104 + 1896SOL OW 5786 3.257 2.980 0.303 + 1896SOL HW1 5787 3.325 2.960 0.239 + 1896SOL HW2 5788 3.194 3.034 0.256 + 1897SOL OW 5789 2.494 2.606 2.302 + 1897SOL HW1 5790 2.554 2.680 2.309 + 1897SOL HW2 5791 2.548 2.529 2.321 + 1898SOL OW 5792 4.036 3.376 1.003 + 1898SOL HW1 5793 4.130 3.360 1.014 + 1898SOL HW2 5794 3.997 3.289 1.004 + 1899SOL OW 5795 4.610 2.952 2.995 + 1899SOL HW1 5796 4.700 2.953 2.964 + 1899SOL HW2 5797 4.615 2.988 3.084 + 1900SOL OW 5798 3.618 5.561 3.744 + 1900SOL HW1 5799 3.635 5.650 3.774 + 1900SOL HW2 5800 3.525 5.546 3.764 + 1901SOL OW 5801 3.822 2.364 4.018 + 1901SOL HW1 5802 3.793 2.419 3.945 + 1901SOL HW2 5803 3.858 2.426 4.081 + 1902SOL OW 5804 1.213 5.119 4.573 + 1902SOL HW1 5805 1.162 5.124 4.493 + 1902SOL HW2 5806 1.171 5.049 4.624 + 1903SOL OW 5807 0.403 5.576 2.812 + 1903SOL HW1 5808 0.366 5.601 2.727 + 1903SOL HW2 5809 0.377 5.485 2.823 + 1904SOL OW 5810 1.820 2.339 2.139 + 1904SOL HW1 5811 1.879 2.276 2.097 + 1904SOL HW2 5812 1.797 2.400 2.069 + 1905SOL OW 5813 3.360 2.592 1.584 + 1905SOL HW1 5814 3.452 2.607 1.565 + 1905SOL HW2 5815 3.342 2.503 1.554 + 1906SOL OW 5816 1.581 4.793 3.475 + 1906SOL HW1 5817 1.594 4.699 3.489 + 1906SOL HW2 5818 1.647 4.818 3.411 + 1907SOL OW 5819 0.029 4.144 0.984 + 1907SOL HW1 5820 5.952 4.180 0.939 + 1907SOL HW2 5821 0.100 4.151 0.920 + 1908SOL OW 5822 1.721 2.210 5.205 + 1908SOL HW1 5823 1.701 2.240 5.116 + 1908SOL HW2 5824 1.659 2.258 5.261 + 1909SOL OW 5825 2.256 3.039 0.292 + 1909SOL HW1 5826 2.310 3.066 0.218 + 1909SOL HW2 5827 2.184 2.989 0.253 + 1910SOL OW 5828 1.535 1.629 3.779 + 1910SOL HW1 5829 1.618 1.601 3.740 + 1910SOL HW2 5830 1.480 1.551 3.776 + 1911SOL OW 5831 4.842 1.495 2.722 + 1911SOL HW1 5832 4.828 1.575 2.671 + 1911SOL HW2 5833 4.761 1.484 2.771 + 1912SOL OW 5834 0.113 2.043 0.156 + 1912SOL HW1 5835 0.196 2.070 0.116 + 1912SOL HW2 5836 0.071 1.989 0.091 + 1913SOL OW 5837 1.407 3.055 3.508 + 1913SOL HW1 5838 1.326 3.069 3.556 + 1913SOL HW2 5839 1.392 2.973 3.460 + 1914SOL OW 5840 1.140 1.659 1.789 + 1914SOL HW1 5841 1.076 1.730 1.794 + 1914SOL HW2 5842 1.130 1.625 1.700 + 1915SOL OW 5843 3.957 4.384 3.917 + 1915SOL HW1 5844 3.998 4.412 3.999 + 1915SOL HW2 5845 4.000 4.302 3.895 + 1916SOL OW 5846 4.824 5.335 2.010 + 1916SOL HW1 5847 4.837 5.374 1.924 + 1916SOL HW2 5848 4.743 5.376 2.043 + 1917SOL OW 5849 3.940 2.294 0.554 + 1917SOL HW1 5850 4.029 2.328 0.563 + 1917SOL HW2 5851 3.888 2.345 0.616 + 1918SOL OW 5852 3.357 0.099 0.733 + 1918SOL HW1 5853 3.445 0.116 0.700 + 1918SOL HW2 5854 3.299 0.120 0.660 + 1919SOL OW 5855 4.946 4.414 4.853 + 1919SOL HW1 5856 4.985 4.340 4.806 + 1919SOL HW2 5857 4.950 4.487 4.791 + 1920SOL OW 5858 1.777 2.822 0.137 + 1920SOL HW1 5859 1.720 2.745 0.148 + 1920SOL HW2 5860 1.813 2.811 0.049 + 1921SOL OW 5861 2.371 1.855 0.195 + 1921SOL HW1 5862 2.457 1.873 0.234 + 1921SOL HW2 5863 2.366 1.759 0.192 + 1922SOL OW 5864 1.039 4.522 1.320 + 1922SOL HW1 5865 0.959 4.499 1.273 + 1922SOL HW2 5866 1.068 4.604 1.279 + 1923SOL OW 5867 5.097 1.204 2.590 + 1923SOL HW1 5868 5.136 1.213 2.503 + 1923SOL HW2 5869 5.003 1.210 2.575 + 1924SOL OW 5870 5.622 2.787 1.516 + 1924SOL HW1 5871 5.696 2.744 1.473 + 1924SOL HW2 5872 5.633 2.764 1.609 + 1925SOL OW 5873 3.724 0.240 2.553 + 1925SOL HW1 5874 3.748 0.331 2.538 + 1925SOL HW2 5875 3.743 0.226 2.646 + 1926SOL OW 5876 5.665 4.460 2.363 + 1926SOL HW1 5877 5.729 4.410 2.414 + 1926SOL HW2 5878 5.657 4.543 2.409 + 1927SOL OW 5879 5.019 4.166 3.188 + 1927SOL HW1 5880 4.962 4.131 3.257 + 1927SOL HW2 5881 4.961 4.178 3.113 + 1928SOL OW 5882 1.919 3.871 5.182 + 1928SOL HW1 5883 1.890 3.855 5.092 + 1928SOL HW2 5884 1.838 3.876 5.233 + 1929SOL OW 5885 1.997 4.454 5.525 + 1929SOL HW1 5886 2.002 4.439 5.431 + 1929SOL HW2 5887 1.964 4.372 5.561 + 1930SOL OW 5888 2.816 4.387 0.846 + 1930SOL HW1 5889 2.907 4.358 0.845 + 1930SOL HW2 5890 2.820 4.477 0.813 + 1931SOL OW 5891 0.558 0.908 5.486 + 1931SOL HW1 5892 0.485 0.896 5.426 + 1931SOL HW2 5893 0.636 0.903 5.430 + 1932SOL OW 5894 3.854 0.322 5.894 + 1932SOL HW1 5895 3.888 0.401 5.852 + 1932SOL HW2 5896 3.845 0.346 5.986 + 1933SOL OW 5897 0.845 1.230 2.962 + 1933SOL HW1 5898 0.898 1.208 3.038 + 1933SOL HW2 5899 0.888 1.184 2.889 + 1934SOL OW 5900 4.066 5.616 1.876 + 1934SOL HW1 5901 4.079 5.556 1.803 + 1934SOL HW2 5902 4.091 5.701 1.841 + 1935SOL OW 5903 4.172 4.174 4.019 + 1935SOL HW1 5904 4.267 4.175 4.032 + 1935SOL HW2 5905 4.154 4.090 3.976 + 1936SOL OW 5906 0.787 3.098 0.982 + 1936SOL HW1 5907 0.860 3.037 0.981 + 1936SOL HW2 5908 0.771 3.115 1.075 + 1937SOL OW 5909 2.316 1.703 5.503 + 1937SOL HW1 5910 2.318 1.781 5.559 + 1937SOL HW2 5911 2.254 1.724 5.434 + 1938SOL OW 5912 3.629 2.883 1.710 + 1938SOL HW1 5913 3.569 2.948 1.673 + 1938SOL HW2 5914 3.607 2.880 1.803 + 1939SOL OW 5915 3.992 5.170 3.125 + 1939SOL HW1 5916 3.999 5.085 3.167 + 1939SOL HW2 5917 3.908 5.205 3.153 + 1940SOL OW 5918 0.802 4.610 2.404 + 1940SOL HW1 5919 0.820 4.523 2.440 + 1940SOL HW2 5920 0.840 4.608 2.316 + 1941SOL OW 5921 1.649 4.510 4.689 + 1941SOL HW1 5922 1.644 4.419 4.717 + 1941SOL HW2 5923 1.692 4.507 4.604 + 1942SOL OW 5924 3.717 1.469 4.228 + 1942SOL HW1 5925 3.717 1.538 4.294 + 1942SOL HW2 5926 3.632 1.479 4.184 + 1943SOL OW 5927 2.995 4.341 5.859 + 1943SOL HW1 5928 2.910 4.309 5.832 + 1943SOL HW2 5929 2.988 4.436 5.852 + 1944SOL OW 5930 0.072 5.269 5.394 + 1944SOL HW1 5931 0.154 5.236 5.356 + 1944SOL HW2 5932 0.093 5.283 5.487 + 1945SOL OW 5933 3.602 3.122 4.634 + 1945SOL HW1 5934 3.580 3.212 4.610 + 1945SOL HW2 5935 3.554 3.107 4.716 + 1946SOL OW 5936 0.615 5.094 1.729 + 1946SOL HW1 5937 0.566 5.016 1.756 + 1946SOL HW2 5938 0.655 5.070 1.645 + 1947SOL OW 5939 4.047 5.447 4.438 + 1947SOL HW1 5940 4.130 5.468 4.396 + 1947SOL HW2 5941 4.071 5.401 4.518 + 1948SOL OW 5942 2.641 5.043 1.763 + 1948SOL HW1 5943 2.593 5.120 1.791 + 1948SOL HW2 5944 2.650 5.053 1.668 + 1949SOL OW 5945 4.116 2.169 1.999 + 1949SOL HW1 5946 4.165 2.123 2.068 + 1949SOL HW2 5947 4.168 2.155 1.920 + 1950SOL OW 5948 1.238 0.433 2.786 + 1950SOL HW1 5949 1.311 0.489 2.763 + 1950SOL HW2 5950 1.214 0.460 2.875 + 1951SOL OW 5951 0.569 0.019 3.927 + 1951SOL HW1 5952 0.605 0.069 4.000 + 1951SOL HW2 5953 0.479 0.001 3.952 + 1952SOL OW 5954 1.471 1.259 4.224 + 1952SOL HW1 5955 1.482 1.174 4.267 + 1952SOL HW2 5956 1.547 1.268 4.167 + 1953SOL OW 5957 2.170 0.635 3.082 + 1953SOL HW1 5958 2.140 0.616 2.994 + 1953SOL HW2 5959 2.261 0.661 3.071 + 1954SOL OW 5960 0.018 3.199 5.963 + 1954SOL HW1 5961 0.035 3.153 0.045 + 1954SOL HW2 5962 5.939 3.157 5.929 + 1955SOL OW 5963 0.179 1.047 1.535 + 1955SOL HW1 5964 0.226 1.097 1.468 + 1955SOL HW2 5965 0.195 1.094 1.617 + 1956SOL OW 5966 1.734 0.881 5.992 + 1956SOL HW1 5967 1.789 0.948 5.951 + 1956SOL HW2 5968 1.782 0.855 0.070 + 1957SOL OW 5969 0.656 1.944 0.847 + 1957SOL HW1 5970 0.605 2.020 0.873 + 1957SOL HW2 5971 0.591 1.874 0.837 + 1958SOL OW 5972 5.558 5.597 3.219 + 1958SOL HW1 5973 5.525 5.686 3.207 + 1958SOL HW2 5974 5.555 5.558 3.131 + 1959SOL OW 5975 4.101 5.746 1.301 + 1959SOL HW1 5976 4.189 5.770 1.273 + 1959SOL HW2 5977 4.043 5.791 1.240 + 1960SOL OW 5978 5.096 4.667 2.110 + 1960SOL HW1 5979 5.141 4.741 2.150 + 1960SOL HW2 5980 5.144 4.650 2.030 + 1961SOL OW 5981 5.652 0.860 3.310 + 1961SOL HW1 5982 5.597 0.933 3.336 + 1961SOL HW2 5983 5.668 0.874 3.217 + 1962SOL OW 5984 1.030 2.211 5.560 + 1962SOL HW1 5985 0.944 2.253 5.557 + 1962SOL HW2 5986 1.067 2.225 5.473 + 1963SOL OW 5987 3.526 3.352 0.122 + 1963SOL HW1 5988 3.510 3.434 0.170 + 1963SOL HW2 5989 3.576 3.298 0.183 + 1964SOL OW 5990 4.119 3.196 4.162 + 1964SOL HW1 5991 4.025 3.211 4.169 + 1964SOL HW2 5992 4.146 3.175 4.252 + 1965SOL OW 5993 3.908 3.845 1.175 + 1965SOL HW1 5994 3.968 3.786 1.221 + 1965SOL HW2 5995 3.875 3.792 1.103 + 1966SOL OW 5996 3.667 0.818 0.328 + 1966SOL HW1 5997 3.619 0.834 0.247 + 1966SOL HW2 5998 3.659 0.900 0.377 + 1967SOL OW 5999 2.284 1.908 5.695 + 1967SOL HW1 6000 2.331 1.912 5.778 + 1967SOL HW2 6001 2.192 1.902 5.720 + 1968SOL OW 6002 3.273 5.625 4.535 + 1968SOL HW1 6003 3.180 5.603 4.531 + 1968SOL HW2 6004 3.282 5.701 4.477 + 1969SOL OW 6005 1.339 1.959 2.853 + 1969SOL HW1 6006 1.379 2.041 2.823 + 1969SOL HW2 6007 1.405 1.892 2.837 + 1970SOL OW 6008 0.584 4.313 0.105 + 1970SOL HW1 6009 0.521 4.329 0.036 + 1970SOL HW2 6010 0.606 4.220 0.096 + 1971SOL OW 6011 4.745 4.427 1.205 + 1971SOL HW1 6012 4.791 4.412 1.123 + 1971SOL HW2 6013 4.697 4.345 1.221 + 1972SOL OW 6014 5.170 0.242 5.261 + 1972SOL HW1 6015 5.190 0.152 5.289 + 1972SOL HW2 6016 5.104 0.272 5.324 + 1973SOL OW 6017 0.599 1.805 5.033 + 1973SOL HW1 6018 0.674 1.841 4.985 + 1973SOL HW2 6019 0.596 1.855 5.114 + 1974SOL OW 6020 4.999 0.456 2.323 + 1974SOL HW1 6021 5.012 0.498 2.238 + 1974SOL HW2 6022 5.055 0.506 2.383 + 1975SOL OW 6023 2.952 5.887 1.420 + 1975SOL HW1 6024 2.888 5.873 1.490 + 1975SOL HW2 6025 2.929 5.972 1.383 + 1976SOL OW 6026 0.770 3.485 4.789 + 1976SOL HW1 6027 0.681 3.460 4.813 + 1976SOL HW2 6028 0.764 3.511 4.697 + 1977SOL OW 6029 3.069 0.479 1.046 + 1977SOL HW1 6030 3.150 0.429 1.045 + 1977SOL HW2 6031 3.032 0.468 0.959 + 1978SOL OW 6032 5.268 4.762 0.424 + 1978SOL HW1 6033 5.294 4.854 0.434 + 1978SOL HW2 6034 5.290 4.741 0.333 + 1979SOL OW 6035 4.690 3.302 1.980 + 1979SOL HW1 6036 4.698 3.333 1.890 + 1979SOL HW2 6037 4.616 3.351 2.016 + 1980SOL OW 6038 3.374 0.711 4.222 + 1980SOL HW1 6039 3.285 0.690 4.191 + 1980SOL HW2 6040 3.363 0.792 4.272 + 1981SOL OW 6041 5.974 5.831 1.945 + 1981SOL HW1 6042 5.926 5.892 1.889 + 1981SOL HW2 6043 0.065 5.840 1.918 + 1982SOL OW 6044 4.339 4.093 5.375 + 1982SOL HW1 6045 4.318 4.063 5.287 + 1982SOL HW2 6046 4.254 4.115 5.413 + 1983SOL OW 6047 3.015 2.945 0.040 + 1983SOL HW1 6048 3.040 3.009 5.972 + 1983SOL HW2 6049 2.956 2.885 5.995 + 1984SOL OW 6050 4.054 0.837 0.629 + 1984SOL HW1 6051 4.128 0.849 0.688 + 1984SOL HW2 6052 4.094 0.813 0.545 + 1985SOL OW 6053 3.736 2.773 4.984 + 1985SOL HW1 6054 3.778 2.703 5.033 + 1985SOL HW2 6055 3.799 2.845 4.987 + 1986SOL OW 6056 4.887 0.331 1.415 + 1986SOL HW1 6057 4.852 0.419 1.408 + 1986SOL HW2 6058 4.815 0.279 1.450 + 1987SOL OW 6059 1.338 2.268 4.933 + 1987SOL HW1 6060 1.380 2.349 4.962 + 1987SOL HW2 6061 1.295 2.234 5.011 + 1988SOL OW 6062 4.271 4.535 5.948 + 1988SOL HW1 6063 4.364 4.523 5.928 + 1988SOL HW2 6064 4.238 4.592 5.879 + 1989SOL OW 6065 0.999 1.228 4.653 + 1989SOL HW1 6066 0.915 1.187 4.673 + 1989SOL HW2 6067 0.977 1.315 4.621 + 1990SOL OW 6068 0.973 5.407 0.231 + 1990SOL HW1 6069 0.889 5.364 0.242 + 1990SOL HW2 6070 0.976 5.431 0.138 + 1991SOL OW 6071 0.590 2.856 4.938 + 1991SOL HW1 6072 0.681 2.839 4.914 + 1991SOL HW2 6073 0.541 2.845 4.857 + 1992SOL OW 6074 0.115 2.049 5.683 + 1992SOL HW1 6075 0.116 2.132 5.730 + 1992SOL HW2 6076 0.104 1.983 5.751 + 1993SOL OW 6077 2.808 0.907 1.501 + 1993SOL HW1 6078 2.728 0.941 1.541 + 1993SOL HW2 6079 2.821 0.821 1.542 + 1994SOL OW 6080 5.655 4.927 2.242 + 1994SOL HW1 6081 5.686 4.857 2.299 + 1994SOL HW2 6082 5.698 5.006 2.275 + 1995SOL OW 6083 4.104 5.241 0.892 + 1995SOL HW1 6084 4.178 5.302 0.884 + 1995SOL HW2 6085 4.065 5.263 0.977 + 1996SOL OW 6086 5.765 0.927 0.470 + 1996SOL HW1 6087 5.791 0.941 0.379 + 1996SOL HW2 6088 5.749 1.016 0.504 + 1997SOL OW 6089 2.066 4.674 2.940 + 1997SOL HW1 6090 2.013 4.746 2.973 + 1997SOL HW2 6091 2.003 4.605 2.919 + 1998SOL OW 6092 2.787 2.832 1.173 + 1998SOL HW1 6093 2.847 2.905 1.185 + 1998SOL HW2 6094 2.775 2.825 1.078 + 1999SOL OW 6095 4.535 1.595 3.167 + 1999SOL HW1 6096 4.599 1.582 3.237 + 1999SOL HW2 6097 4.566 1.671 3.119 + 2000SOL OW 6098 3.416 4.008 0.421 + 2000SOL HW1 6099 3.444 3.922 0.452 + 2000SOL HW2 6100 3.324 4.013 0.448 + 2001SOL OW 6101 2.487 1.136 1.051 + 2001SOL HW1 6102 2.456 1.136 0.961 + 2001SOL HW2 6103 2.469 1.225 1.082 + 2002SOL OW 6104 5.689 0.120 4.926 + 2002SOL HW1 6105 5.709 0.046 4.868 + 2002SOL HW2 6106 5.754 0.186 4.903 + 2003SOL OW 6107 5.789 3.506 3.234 + 2003SOL HW1 6108 5.829 3.422 3.257 + 2003SOL HW2 6109 5.695 3.489 3.234 + 2004SOL OW 6110 4.402 1.660 0.459 + 2004SOL HW1 6111 4.432 1.580 0.416 + 2004SOL HW2 6112 4.316 1.638 0.494 + 2005SOL OW 6113 1.494 1.210 4.762 + 2005SOL HW1 6114 1.449 1.248 4.687 + 2005SOL HW2 6115 1.519 1.122 4.734 + 2006SOL OW 6116 2.419 1.533 3.445 + 2006SOL HW1 6117 2.431 1.617 3.402 + 2006SOL HW2 6118 2.334 1.502 3.414 + 2007SOL OW 6119 1.366 0.370 1.427 + 2007SOL HW1 6120 1.379 0.321 1.509 + 2007SOL HW2 6121 1.427 0.444 1.435 + 2008SOL OW 6122 4.011 0.226 1.037 + 2008SOL HW1 6123 4.025 0.149 0.982 + 2008SOL HW2 6124 4.028 0.301 0.979 + 2009SOL OW 6125 4.088 5.333 2.911 + 2009SOL HW1 6126 4.061 5.273 2.980 + 2009SOL HW2 6127 4.007 5.378 2.886 + 2010SOL OW 6128 2.095 3.693 0.136 + 2010SOL HW1 6129 2.062 3.615 0.180 + 2010SOL HW2 6130 2.017 3.747 0.122 + 2011SOL OW 6131 4.497 1.538 5.642 + 2011SOL HW1 6132 4.415 1.575 5.674 + 2011SOL HW2 6133 4.559 1.612 5.643 + 2012SOL OW 6134 3.183 1.545 5.299 + 2012SOL HW1 6135 3.213 1.621 5.350 + 2012SOL HW2 6136 3.175 1.577 5.210 + 2013SOL OW 6137 5.608 1.110 0.863 + 2013SOL HW1 6138 5.685 1.059 0.840 + 2013SOL HW2 6139 5.636 1.165 0.936 + 2014SOL OW 6140 0.042 0.473 2.746 + 2014SOL HW1 6141 0.028 0.554 2.696 + 2014SOL HW2 6142 5.996 0.406 2.696 + 2015SOL OW 6143 0.195 0.501 4.588 + 2015SOL HW1 6144 0.191 0.495 4.492 + 2015SOL HW2 6145 0.260 0.435 4.613 + 2016SOL OW 6146 0.897 2.754 5.365 + 2016SOL HW1 6147 0.933 2.840 5.345 + 2016SOL HW2 6148 0.808 2.756 5.330 + 2017SOL OW 6149 1.688 3.723 2.300 + 2017SOL HW1 6150 1.754 3.784 2.266 + 2017SOL HW2 6151 1.719 3.702 2.389 + 2018SOL OW 6152 5.999 0.562 0.468 + 2018SOL HW1 6153 0.020 0.565 0.375 + 2018SOL HW2 6154 0.084 0.557 0.512 + 2019SOL OW 6155 4.192 0.398 5.980 + 2019SOL HW1 6156 4.191 0.474 5.922 + 2019SOL HW2 6157 4.124 0.340 5.945 + 2020SOL OW 6158 3.476 1.761 3.693 + 2020SOL HW1 6159 3.515 1.847 3.679 + 2020SOL HW2 6160 3.486 1.716 3.610 + 2021SOL OW 6161 2.137 3.832 5.339 + 2021SOL HW1 6162 2.069 3.838 5.272 + 2021SOL HW2 6163 2.097 3.868 5.418 + 2022SOL OW 6164 5.089 5.676 0.682 + 2022SOL HW1 6165 5.090 5.768 0.708 + 2022SOL HW2 6166 5.026 5.635 0.741 + 2023SOL OW 6167 2.044 4.000 3.421 + 2023SOL HW1 6168 2.088 3.923 3.387 + 2023SOL HW2 6169 2.102 4.034 3.489 + 2024SOL OW 6170 3.670 5.174 5.010 + 2024SOL HW1 6171 3.723 5.250 4.987 + 2024SOL HW2 6172 3.627 5.149 4.929 + 2025SOL OW 6173 2.143 5.433 0.596 + 2025SOL HW1 6174 2.169 5.483 0.673 + 2025SOL HW2 6175 2.068 5.381 0.625 + 2026SOL OW 6176 5.371 3.023 0.704 + 2026SOL HW1 6177 5.364 3.020 0.800 + 2026SOL HW2 6178 5.286 2.990 0.674 + 2027SOL OW 6179 4.910 2.151 1.160 + 2027SOL HW1 6180 4.970 2.184 1.227 + 2027SOL HW2 6181 4.858 2.085 1.206 + 2028SOL OW 6182 3.067 5.546 4.001 + 2028SOL HW1 6183 3.073 5.464 4.050 + 2028SOL HW2 6184 3.066 5.519 3.909 + 2029SOL OW 6185 1.519 4.712 1.571 + 2029SOL HW1 6186 1.577 4.737 1.499 + 2029SOL HW2 6187 1.575 4.660 1.629 + 2030SOL OW 6188 5.432 0.181 4.014 + 2030SOL HW1 6189 5.446 0.261 4.065 + 2030SOL HW2 6190 5.388 0.121 4.074 + 2031SOL OW 6191 0.543 4.031 1.241 + 2031SOL HW1 6192 0.535 4.022 1.146 + 2031SOL HW2 6193 0.547 4.126 1.256 + 2032SOL OW 6194 0.142 2.705 3.518 + 2032SOL HW1 6195 0.133 2.755 3.600 + 2032SOL HW2 6196 0.214 2.748 3.472 + 2033SOL OW 6197 4.382 1.040 5.026 + 2033SOL HW1 6198 4.385 1.091 5.107 + 2033SOL HW2 6199 4.383 0.949 5.056 + 2034SOL OW 6200 0.968 2.694 4.955 + 2034SOL HW1 6201 0.991 2.602 4.939 + 2034SOL HW2 6202 0.989 2.708 5.047 + 2035SOL OW 6203 2.084 3.267 5.325 + 2035SOL HW1 6204 2.091 3.313 5.409 + 2035SOL HW2 6205 2.013 3.312 5.279 + 2036SOL OW 6206 4.192 3.283 2.265 + 2036SOL HW1 6207 4.263 3.222 2.286 + 2036SOL HW2 6208 4.144 3.293 2.347 + 2037SOL OW 6209 2.093 3.420 3.520 + 2037SOL HW1 6210 2.002 3.392 3.528 + 2037SOL HW2 6211 2.105 3.432 3.426 + 2038SOL OW 6212 0.695 4.978 1.225 + 2038SOL HW1 6213 0.653 4.950 1.143 + 2038SOL HW2 6214 0.718 5.070 1.210 + 2039SOL OW 6215 3.297 3.830 0.973 + 2039SOL HW1 6216 3.267 3.848 0.884 + 2039SOL HW2 6217 3.228 3.865 1.029 + 2040SOL OW 6218 4.620 0.242 1.515 + 2040SOL HW1 6219 4.593 0.301 1.586 + 2040SOL HW2 6220 4.601 0.155 1.549 + 2041SOL OW 6221 5.033 3.305 5.018 + 2041SOL HW1 6222 5.050 3.399 5.021 + 2041SOL HW2 6223 4.993 3.285 5.103 + 2042SOL OW 6224 4.353 2.484 3.523 + 2042SOL HW1 6225 4.305 2.460 3.444 + 2042SOL HW2 6226 4.384 2.573 3.506 + 2043SOL OW 6227 3.249 4.228 0.837 + 2043SOL HW1 6228 3.283 4.185 0.915 + 2043SOL HW2 6229 3.238 4.157 0.774 + 2044SOL OW 6230 0.675 5.347 0.571 + 2044SOL HW1 6231 0.770 5.351 0.585 + 2044SOL HW2 6232 0.638 5.388 0.648 + 2045SOL OW 6233 0.194 4.117 4.088 + 2045SOL HW1 6234 0.286 4.126 4.062 + 2045SOL HW2 6235 0.176 4.195 4.142 + 2046SOL OW 6236 4.454 5.227 3.049 + 2046SOL HW1 6237 4.394 5.154 3.036 + 2046SOL HW2 6238 4.403 5.305 3.027 + 2047SOL OW 6239 2.775 4.584 5.171 + 2047SOL HW1 6240 2.812 4.644 5.107 + 2047SOL HW2 6241 2.817 4.500 5.153 + 2048SOL OW 6242 5.597 4.378 0.741 + 2048SOL HW1 6243 5.515 4.387 0.692 + 2048SOL HW2 6244 5.612 4.465 0.779 + 2049SOL OW 6245 5.927 0.627 5.778 + 2049SOL HW1 6246 5.876 0.649 5.699 + 2049SOL HW2 6247 5.872 0.563 5.824 + 2050SOL OW 6248 0.876 4.276 5.234 + 2050SOL HW1 6249 0.809 4.257 5.299 + 2050SOL HW2 6250 0.957 4.241 5.271 + 2051SOL OW 6251 3.100 1.879 3.277 + 2051SOL HW1 6252 3.081 1.826 3.355 + 2051SOL HW2 6253 3.015 1.915 3.252 + 2052SOL OW 6254 4.729 3.941 2.994 + 2052SOL HW1 6255 4.702 3.970 2.906 + 2052SOL HW2 6256 4.722 3.846 2.991 + 2053SOL OW 6257 2.490 5.736 3.922 + 2053SOL HW1 6258 2.415 5.677 3.929 + 2053SOL HW2 6259 2.544 5.716 3.999 + 2054SOL OW 6260 5.387 4.043 3.086 + 2054SOL HW1 6261 5.296 4.073 3.087 + 2054SOL HW2 6262 5.383 3.958 3.043 + 2055SOL OW 6263 5.239 0.593 2.544 + 2055SOL HW1 6264 5.297 0.659 2.582 + 2055SOL HW2 6265 5.296 0.519 2.527 + 2056SOL OW 6266 5.050 3.627 4.549 + 2056SOL HW1 6267 5.025 3.606 4.459 + 2056SOL HW2 6268 5.106 3.704 4.541 + 2057SOL OW 6269 2.393 0.509 4.220 + 2057SOL HW1 6270 2.378 0.543 4.308 + 2057SOL HW2 6271 2.317 0.454 4.202 + 2058SOL OW 6272 5.330 3.358 0.074 + 2058SOL HW1 6273 5.268 3.315 0.134 + 2058SOL HW2 6274 5.305 3.450 0.077 + 2059SOL OW 6275 5.724 2.969 5.426 + 2059SOL HW1 6276 5.769 2.999 5.505 + 2059SOL HW2 6277 5.793 2.953 5.363 + 2060SOL OW 6278 2.482 0.031 4.001 + 2060SOL HW1 6279 2.569 0.012 3.967 + 2060SOL HW2 6280 2.428 5.957 3.973 + 2061SOL OW 6281 4.498 1.901 3.597 + 2061SOL HW1 6282 4.521 1.972 3.537 + 2061SOL HW2 6283 4.406 1.916 3.618 + 2062SOL OW 6284 1.987 1.236 1.102 + 2062SOL HW1 6285 2.058 1.274 1.154 + 2062SOL HW2 6286 1.975 1.297 1.030 + 2063SOL OW 6287 5.771 5.860 3.406 + 2063SOL HW1 6288 5.786 5.952 3.429 + 2063SOL HW2 6289 5.833 5.811 3.461 + 2064SOL OW 6290 0.788 3.353 3.585 + 2064SOL HW1 6291 0.773 3.260 3.567 + 2064SOL HW2 6292 0.855 3.354 3.653 + 2065SOL OW 6293 5.111 4.543 0.479 + 2065SOL HW1 6294 5.158 4.625 0.468 + 2065SOL HW2 6295 5.115 4.501 0.393 + 2066SOL OW 6296 4.703 4.718 5.168 + 2066SOL HW1 6297 4.617 4.749 5.139 + 2066SOL HW2 6298 4.705 4.626 5.143 + 2067SOL OW 6299 2.903 0.347 4.581 + 2067SOL HW1 6300 2.934 0.425 4.627 + 2067SOL HW2 6301 2.808 0.349 4.590 + 2068SOL OW 6302 5.848 5.647 5.799 + 2068SOL HW1 6303 5.837 5.715 5.866 + 2068SOL HW2 6304 5.885 5.573 5.847 + 2069SOL OW 6305 5.765 1.840 4.766 + 2069SOL HW1 6306 5.822 1.797 4.830 + 2069SOL HW2 6307 5.733 1.919 4.811 + 2070SOL OW 6308 0.563 4.121 2.954 + 2070SOL HW1 6309 0.520 4.130 2.869 + 2070SOL HW2 6310 0.529 4.039 2.989 + 2071SOL OW 6311 2.159 4.585 0.584 + 2071SOL HW1 6312 2.157 4.516 0.518 + 2071SOL HW2 6313 2.231 4.642 0.557 + 2072SOL OW 6314 2.410 1.166 3.404 + 2072SOL HW1 6315 2.421 1.236 3.469 + 2072SOL HW2 6316 2.404 1.086 3.456 + 2073SOL OW 6317 1.090 4.914 2.790 + 2073SOL HW1 6318 1.109 4.988 2.733 + 2073SOL HW2 6319 1.038 4.855 2.736 + 2074SOL OW 6320 1.160 4.378 4.563 + 2074SOL HW1 6321 1.090 4.320 4.592 + 2074SOL HW2 6322 1.197 4.413 4.644 + 2075SOL OW 6323 3.205 4.177 5.756 + 2075SOL HW1 6324 3.131 4.218 5.801 + 2075SOL HW2 6325 3.171 4.092 5.728 + 2076SOL OW 6326 3.776 4.460 1.781 + 2076SOL HW1 6327 3.765 4.379 1.833 + 2076SOL HW2 6328 3.857 4.446 1.732 + 2077SOL OW 6329 3.323 4.777 4.601 + 2077SOL HW1 6330 3.320 4.743 4.690 + 2077SOL HW2 6331 3.351 4.868 4.610 + 2078SOL OW 6332 0.989 1.841 2.385 + 2078SOL HW1 6333 1.058 1.839 2.451 + 2078SOL HW2 6334 0.914 1.799 2.427 + 2079SOL OW 6335 0.112 0.764 4.611 + 2079SOL HW1 6336 0.195 0.811 4.605 + 2079SOL HW2 6337 0.137 0.672 4.611 + 2080SOL OW 6338 0.771 5.776 2.121 + 2080SOL HW1 6339 0.862 5.745 2.113 + 2080SOL HW2 6340 0.729 5.746 2.040 + 2081SOL OW 6341 0.418 2.842 4.718 + 2081SOL HW1 6342 0.342 2.868 4.770 + 2081SOL HW2 6343 0.399 2.877 4.630 + 2082SOL OW 6344 1.020 4.665 0.383 + 2082SOL HW1 6345 1.027 4.658 0.478 + 2082SOL HW2 6346 1.050 4.580 0.350 + 2083SOL OW 6347 1.881 2.242 0.515 + 2083SOL HW1 6348 1.949 2.200 0.566 + 2083SOL HW2 6349 1.810 2.259 0.577 + 2084SOL OW 6350 2.025 4.291 2.017 + 2084SOL HW1 6351 2.015 4.251 2.104 + 2084SOL HW2 6352 2.116 4.273 1.993 + 2085SOL OW 6353 2.828 1.444 4.120 + 2085SOL HW1 6354 2.762 1.513 4.113 + 2085SOL HW2 6355 2.793 1.372 4.069 + 2086SOL OW 6356 5.504 2.678 3.373 + 2086SOL HW1 6357 5.599 2.668 3.383 + 2086SOL HW2 6358 5.468 2.596 3.407 + 2087SOL OW 6359 1.901 5.107 0.454 + 2087SOL HW1 6360 1.853 5.177 0.410 + 2087SOL HW2 6361 1.835 5.040 0.472 + 2088SOL OW 6362 3.663 4.955 0.247 + 2088SOL HW1 6363 3.752 4.972 0.279 + 2088SOL HW2 6364 3.622 4.903 0.316 + 2089SOL OW 6365 2.157 2.185 5.264 + 2089SOL HW1 6366 2.089 2.143 5.317 + 2089SOL HW2 6367 2.111 2.251 5.212 + 2090SOL OW 6368 2.189 5.090 2.410 + 2090SOL HW1 6369 2.177 5.180 2.438 + 2090SOL HW2 6370 2.254 5.054 2.470 + 2091SOL OW 6371 2.344 4.788 0.459 + 2091SOL HW1 6372 2.269 4.844 0.436 + 2091SOL HW2 6373 2.420 4.835 0.424 + 2092SOL OW 6374 2.551 3.721 5.623 + 2092SOL HW1 6375 2.496 3.731 5.546 + 2092SOL HW2 6376 2.595 3.637 5.611 + 2093SOL OW 6377 0.108 0.366 3.950 + 2093SOL HW1 6378 0.091 0.457 3.974 + 2093SOL HW2 6379 0.021 0.328 3.938 + 2094SOL OW 6380 1.760 1.187 4.621 + 2094SOL HW1 6381 1.822 1.251 4.584 + 2094SOL HW2 6382 1.697 1.240 4.669 + 2095SOL OW 6383 3.168 5.781 4.121 + 2095SOL HW1 6384 3.081 5.821 4.121 + 2095SOL HW2 6385 3.155 5.694 4.083 + 2096SOL OW 6386 0.006 3.761 1.734 + 2096SOL HW1 6387 0.058 3.821 1.681 + 2096SOL HW2 6388 0.069 3.720 1.793 + 2097SOL OW 6389 3.894 3.967 4.472 + 2097SOL HW1 6390 3.976 4.004 4.504 + 2097SOL HW2 6391 3.907 3.872 4.478 + 2098SOL OW 6392 0.572 5.450 0.795 + 2098SOL HW1 6393 0.486 5.408 0.804 + 2098SOL HW2 6394 0.594 5.479 0.884 + 2099SOL OW 6395 5.886 3.718 2.338 + 2099SOL HW1 6396 5.977 3.712 2.312 + 2099SOL HW2 6397 5.856 3.803 2.304 + 2100SOL OW 6398 5.256 4.870 4.865 + 2100SOL HW1 6399 5.221 4.801 4.922 + 2100SOL HW2 6400 5.335 4.900 4.910 + 2101SOL OW 6401 5.912 2.471 2.399 + 2101SOL HW1 6402 5.906 2.476 2.304 + 2101SOL HW2 6403 5.823 2.485 2.430 + 2102SOL OW 6404 0.191 4.986 0.738 + 2102SOL HW1 6405 0.250 5.058 0.717 + 2102SOL HW2 6406 0.115 5.028 0.778 + 2103SOL OW 6407 5.203 5.957 4.067 + 2103SOL HW1 6408 5.210 5.989 3.977 + 2103SOL HW2 6409 5.146 5.881 4.061 + 2104SOL OW 6410 3.466 1.457 4.660 + 2104SOL HW1 6411 3.559 1.436 4.666 + 2104SOL HW2 6412 3.448 1.506 4.741 + 2105SOL OW 6413 4.499 2.026 5.772 + 2105SOL HW1 6414 4.494 2.121 5.770 + 2105SOL HW2 6415 4.533 2.006 5.859 + 2106SOL OW 6416 5.174 3.865 3.387 + 2106SOL HW1 6417 5.192 3.849 3.480 + 2106SOL HW2 6418 5.231 3.939 3.364 + 2107SOL OW 6419 3.306 0.585 0.492 + 2107SOL HW1 6420 3.284 0.674 0.465 + 2107SOL HW2 6421 3.226 0.553 0.535 + 2108SOL OW 6422 0.664 0.075 5.387 + 2108SOL HW1 6423 0.588 0.132 5.401 + 2108SOL HW2 6424 0.737 0.124 5.426 + 2109SOL OW 6425 1.003 1.120 2.126 + 2109SOL HW1 6426 1.058 1.082 2.058 + 2109SOL HW2 6427 1.024 1.071 2.205 + 2110SOL OW 6428 3.637 1.226 2.845 + 2110SOL HW1 6429 3.550 1.225 2.885 + 2110SOL HW2 6430 3.645 1.314 2.809 + 2111SOL OW 6431 5.591 0.373 5.633 + 2111SOL HW1 6432 5.589 0.408 5.544 + 2111SOL HW2 6433 5.547 0.439 5.686 + 2112SOL OW 6434 2.329 2.057 0.468 + 2112SOL HW1 6435 2.303 2.010 0.389 + 2112SOL HW2 6436 2.261 2.123 0.481 + 2113SOL OW 6437 4.887 2.463 5.567 + 2113SOL HW1 6438 4.831 2.404 5.516 + 2113SOL HW2 6439 4.964 2.411 5.588 + 2114SOL OW 6440 2.615 4.998 2.824 + 2114SOL HW1 6441 2.562 5.041 2.891 + 2114SOL HW2 6442 2.684 5.062 2.804 + 2115SOL OW 6443 3.040 4.960 5.748 + 2115SOL HW1 6444 3.097 4.910 5.689 + 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-0,0 +1,2 @@ +HETATM 1 F F 1 0.006 0.404 0.000 0.00 0.00 F +END diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/h2o.pdb b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/h2o.pdb new file mode 100644 index 00000000..5cfbc512 --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/h2o.pdb @@ -0,0 +1,7 @@ +HETATM 1 OW SOL 1 0.006 0.404 0.000 0.00 0.00 O +HETATM 2 HW SOL 1 -0.786 -0.190 0.000 0.00 0.00 H +HETATM 3 HW SOL 1 0.780 -0.214 0.000 0.00 0.00 H +CONECT 1 2 3 +CONECT 2 1 +CONECT 3 1 +END diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/k.pdb b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/k.pdb new file mode 100644 index 00000000..ed99079d --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/k.pdb @@ -0,0 +1,2 @@ +HETATM 1 K K 1 0.006 0.404 0.000 0.00 0.00 K +END diff --git 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0.367500000000 -1.335200000000 + 15ALA HA 161 1.689100000000 0.323400000000 -1.341000000000 + 15ALA CB 162 1.487300000000 0.267500000000 -1.391900000000 + 15ALA HB1 163 1.512100000000 0.244900000000 -1.495600000000 + 15ALA HB2 164 1.489700000000 0.175700000000 -1.333200000000 + 15ALA HB3 165 1.387500000000 0.311000000000 -1.387100000000 + 15ALA C 166 1.597100000000 0.495300000000 -1.415300000000 + 15ALA O 167 1.692400000000 0.520400000000 -1.490000000000 + 16ALA N 168 1.501000000000 0.580900000000 -1.405600000000 + 16ALA H 169 1.418000000000 0.570100000000 -1.347200000000 + 16ALA CA 170 1.508300000000 0.704400000000 -1.483100000000 + 16ALA HA 171 1.513100000000 0.683100000000 -1.589900000000 + 16ALA CB 172 1.380800000000 0.785400000000 -1.453900000000 + 16ALA HB1 173 1.383100000000 0.878600000000 -1.510400000000 + 16ALA HB2 174 1.293300000000 0.727400000000 -1.483200000000 + 16ALA HB3 175 1.375500000000 0.807700000000 -1.347300000000 + 16ALA C 176 1.634700000000 0.780700000000 -1.451400000000 + 16ALA O 177 1.674000000000 0.797200000000 -1.335300000000 + 17NME N 178 1.703800000000 0.830300000000 -1.548400000000 + 17NME H 179 1.675600000000 0.819300000000 -1.644800000000 + 17NME C 180 1.825700000000 0.904200000000 -1.520300000000 + 17NME H1 181 1.842400000000 0.907200000000 -1.412600000000 + 17NME H2 182 1.910100000000 0.855000000000 -1.568700000000 + 17NME H3 183 1.816200000000 1.005900000000 -1.558400000000 + 7.0000000 7.0000000 7.0000000 diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/long_peptide.itp b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/long_peptide.itp new file mode 100644 index 00000000..8bf78563 --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/long_peptide.itp @@ -0,0 +1,1941 @@ +; itp topology file +; Generated using heteropolymer_simulations.util.write_itp_file() +; Original file: long_peptide.top +; Author: lenny +; Date: Friday, 22. September 2023 +; Time: 04:27PM +; System: Linux-5.15.90.1-microsoft-standard-WSL2-x86_64-with-glibc2.35 + +[ moleculetype ] +peptide 3 + + +[ atoms ] +;num, type, resnum, resname, atomname, cgnr, q, m + 1 HC 1 ACE H1 1 0.11230000 1.00800000 + 2 CT 1 ACE CH3 2 -0.36620000 12.01000000 + 3 HC 1 ACE H2 3 0.11230000 1.00800000 + 4 HC 1 ACE H3 4 0.11230000 1.00800000 + 5 C 1 ACE C 5 0.59720000 12.01000000 + 6 O 1 ACE O 6 -0.56790000 16.00000000 + 7 N 2 ALA N 7 -0.41570000 14.01000000 + 8 H 2 ALA H 8 0.27190000 1.00800000 + 9 CX 2 ALA CA 9 0.03370000 12.01000000 + 10 H1 2 ALA HA 10 0.08230000 1.00800000 + 11 CT 2 ALA CB 11 -0.18250000 12.01000000 + 12 HC 2 ALA HB1 12 0.06030000 1.00800000 + 13 HC 2 ALA HB2 13 0.06030000 1.00800000 + 14 HC 2 ALA HB3 14 0.06030000 1.00800000 + 15 C 2 ALA C 15 0.59730000 12.01000000 + 16 O 2 ALA O 16 -0.56790000 16.00000000 + 17 N 3 ALA N 17 -0.41570000 14.01000000 + 18 H 3 ALA H 18 0.27190000 1.00800000 + 19 CX 3 ALA CA 19 0.03370000 12.01000000 + 20 H1 3 ALA HA 20 0.08230000 1.00800000 + 21 CT 3 ALA CB 21 -0.18250000 12.01000000 + 22 HC 3 ALA HB1 22 0.06030000 1.00800000 + 23 HC 3 ALA HB2 23 0.06030000 1.00800000 + 24 HC 3 ALA HB3 24 0.06030000 1.00800000 + 25 C 3 ALA C 25 0.59730000 12.01000000 + 26 O 3 ALA O 26 -0.56790000 16.00000000 + 27 N 4 GLN N 27 -0.41570000 14.01000000 + 28 H 4 GLN H 28 0.27190000 1.00800000 + 29 CX 4 GLN CA 29 -0.00310000 12.01000000 + 30 H1 4 GLN HA 30 0.08500000 1.00800000 + 31 2C 4 GLN CB 31 -0.00360000 12.01000000 + 32 HC 4 GLN HB2 32 0.01710000 1.00800000 + 33 HC 4 GLN HB3 33 0.01710000 1.00800000 + 34 2C 4 GLN CG 34 -0.06450000 12.01000000 + 35 HC 4 GLN HG2 35 0.03520000 1.00800000 + 36 HC 4 GLN HG3 36 0.03520000 1.00800000 + 37 C 4 GLN CD 37 0.69510000 12.01000000 + 38 O 4 GLN OE1 38 -0.60860000 16.00000000 + 39 N 4 GLN NE2 39 -0.94070000 14.01000000 + 40 H 4 GLN HE21 40 0.42510000 1.00800000 + 41 H 4 GLN HE22 41 0.42510000 1.00800000 + 42 C 4 GLN C 42 0.59730000 12.01000000 + 43 O 4 GLN O 43 -0.56790000 16.00000000 + 44 N 5 ALA N 44 -0.41570000 14.01000000 + 45 H 5 ALA H 45 0.27190000 1.00800000 + 46 CX 5 ALA CA 46 0.03370000 12.01000000 + 47 H1 5 ALA HA 47 0.08230000 1.00800000 + 48 CT 5 ALA CB 48 -0.18250000 12.01000000 + 49 HC 5 ALA HB1 49 0.06030000 1.00800000 + 50 HC 5 ALA HB2 50 0.06030000 1.00800000 + 51 HC 5 ALA HB3 51 0.06030000 1.00800000 + 52 C 5 ALA C 52 0.59730000 12.01000000 + 53 O 5 ALA O 53 -0.56790000 16.00000000 + 54 N 6 ALA N 54 -0.41570000 14.01000000 + 55 H 6 ALA H 55 0.27190000 1.00800000 + 56 CX 6 ALA CA 56 0.03370000 12.01000000 + 57 H1 6 ALA HA 57 0.08230000 1.00800000 + 58 CT 6 ALA CB 58 -0.18250000 12.01000000 + 59 HC 6 ALA HB1 59 0.06030000 1.00800000 + 60 HC 6 ALA HB2 60 0.06030000 1.00800000 + 61 HC 6 ALA HB3 61 0.06030000 1.00800000 + 62 C 6 ALA C 62 0.59730000 12.01000000 + 63 O 6 ALA O 63 -0.56790000 16.00000000 + 64 N 7 ALA N 64 -0.41570000 14.01000000 + 65 H 7 ALA H 65 0.27190000 1.00800000 + 66 CX 7 ALA CA 66 0.03370000 12.01000000 + 67 H1 7 ALA HA 67 0.08230000 1.00800000 + 68 CT 7 ALA CB 68 -0.18250000 12.01000000 + 69 HC 7 ALA HB1 69 0.06030000 1.00800000 + 70 HC 7 ALA HB2 70 0.06030000 1.00800000 + 71 HC 7 ALA HB3 71 0.06030000 1.00800000 + 72 C 7 ALA C 72 0.59730000 12.01000000 + 73 O 7 ALA O 73 -0.56790000 16.00000000 + 74 N 8 ALA N 74 -0.41570000 14.01000000 + 75 H 8 ALA H 75 0.27190000 1.00800000 + 76 CX 8 ALA CA 76 0.03370000 12.01000000 + 77 H1 8 ALA HA 77 0.08230000 1.00800000 + 78 CT 8 ALA CB 78 -0.18250000 12.01000000 + 79 HC 8 ALA HB1 79 0.06030000 1.00800000 + 80 HC 8 ALA HB2 80 0.06030000 1.00800000 + 81 HC 8 ALA HB3 81 0.06030000 1.00800000 + 82 C 8 ALA C 82 0.59730000 12.01000000 + 83 O 8 ALA O 83 -0.56790000 16.00000000 + 84 N 9 GLN N 84 -0.41570000 14.01000000 + 85 H 9 GLN H 85 0.27190000 1.00800000 + 86 CX 9 GLN CA 86 -0.00310000 12.01000000 + 87 H1 9 GLN HA 87 0.08500000 1.00800000 + 88 2C 9 GLN CB 88 -0.00360000 12.01000000 + 89 HC 9 GLN HB2 89 0.01710000 1.00800000 + 90 HC 9 GLN HB3 90 0.01710000 1.00800000 + 91 2C 9 GLN CG 91 -0.06450000 12.01000000 + 92 HC 9 GLN HG2 92 0.03520000 1.00800000 + 93 HC 9 GLN HG3 93 0.03520000 1.00800000 + 94 C 9 GLN CD 94 0.69510000 12.01000000 + 95 O 9 GLN OE1 95 -0.60860000 16.00000000 + 96 N 9 GLN NE2 96 -0.94070000 14.01000000 + 97 H 9 GLN HE21 97 0.42510000 1.00800000 + 98 H 9 GLN HE22 98 0.42510000 1.00800000 + 99 C 9 GLN C 99 0.59730000 12.01000000 + 100 O 9 GLN O 100 -0.56790000 16.00000000 + 101 N 10 ALA N 101 -0.41570000 14.01000000 + 102 H 10 ALA H 102 0.27190000 1.00800000 + 103 CX 10 ALA CA 103 0.03370000 12.01000000 + 104 H1 10 ALA HA 104 0.08230000 1.00800000 + 105 CT 10 ALA CB 105 -0.18250000 12.01000000 + 106 HC 10 ALA HB1 106 0.06030000 1.00800000 + 107 HC 10 ALA HB2 107 0.06030000 1.00800000 + 108 HC 10 ALA HB3 108 0.06030000 1.00800000 + 109 C 10 ALA C 109 0.59730000 12.01000000 + 110 O 10 ALA O 110 -0.56790000 16.00000000 + 111 N 11 ALA N 111 -0.41570000 14.01000000 + 112 H 11 ALA H 112 0.27190000 1.00800000 + 113 CX 11 ALA CA 113 0.03370000 12.01000000 + 114 H1 11 ALA HA 114 0.08230000 1.00800000 + 115 CT 11 ALA CB 115 -0.18250000 12.01000000 + 116 HC 11 ALA HB1 116 0.06030000 1.00800000 + 117 HC 11 ALA HB2 117 0.06030000 1.00800000 + 118 HC 11 ALA HB3 118 0.06030000 1.00800000 + 119 C 11 ALA C 119 0.59730000 12.01000000 + 120 O 11 ALA O 120 -0.56790000 16.00000000 + 121 N 12 ALA N 121 -0.41570000 14.01000000 + 122 H 12 ALA H 122 0.27190000 1.00800000 + 123 CX 12 ALA CA 123 0.03370000 12.01000000 + 124 H1 12 ALA HA 124 0.08230000 1.00800000 + 125 CT 12 ALA CB 125 -0.18250000 12.01000000 + 126 HC 12 ALA HB1 126 0.06030000 1.00800000 + 127 HC 12 ALA HB2 127 0.06030000 1.00800000 + 128 HC 12 ALA HB3 128 0.06030000 1.00800000 + 129 C 12 ALA C 129 0.59730000 12.01000000 + 130 O 12 ALA O 130 -0.56790000 16.00000000 + 131 N 13 ALA N 131 -0.41570000 14.01000000 + 132 H 13 ALA H 132 0.27190000 1.00800000 + 133 CX 13 ALA CA 133 0.03370000 12.01000000 + 134 H1 13 ALA HA 134 0.08230000 1.00800000 + 135 CT 13 ALA CB 135 -0.18250000 12.01000000 + 136 HC 13 ALA HB1 136 0.06030000 1.00800000 + 137 HC 13 ALA HB2 137 0.06030000 1.00800000 + 138 HC 13 ALA HB3 138 0.06030000 1.00800000 + 139 C 13 ALA C 139 0.59730000 12.01000000 + 140 O 13 ALA O 140 -0.56790000 16.00000000 + 141 N 14 GLN N 141 -0.41570000 14.01000000 + 142 H 14 GLN H 142 0.27190000 1.00800000 + 143 CX 14 GLN CA 143 -0.00310000 12.01000000 + 144 H1 14 GLN HA 144 0.08500000 1.00800000 + 145 2C 14 GLN CB 145 -0.00360000 12.01000000 + 146 HC 14 GLN HB2 146 0.01710000 1.00800000 + 147 HC 14 GLN HB3 147 0.01710000 1.00800000 + 148 2C 14 GLN CG 148 -0.06450000 12.01000000 + 149 HC 14 GLN HG2 149 0.03520000 1.00800000 + 150 HC 14 GLN HG3 150 0.03520000 1.00800000 + 151 C 14 GLN CD 151 0.69510000 12.01000000 + 152 O 14 GLN OE1 152 -0.60860000 16.00000000 + 153 N 14 GLN NE2 153 -0.94070000 14.01000000 + 154 H 14 GLN HE21 154 0.42510000 1.00800000 + 155 H 14 GLN HE22 155 0.42510000 1.00800000 + 156 C 14 GLN C 156 0.59730000 12.01000000 + 157 O 14 GLN O 157 -0.56790000 16.00000000 + 158 N 15 ALA N 158 -0.41570000 14.01000000 + 159 H 15 ALA H 159 0.27190000 1.00800000 + 160 CX 15 ALA CA 160 0.03370000 12.01000000 + 161 H1 15 ALA HA 161 0.08230000 1.00800000 + 162 CT 15 ALA CB 162 -0.18250000 12.01000000 + 163 HC 15 ALA HB1 163 0.06030000 1.00800000 + 164 HC 15 ALA HB2 164 0.06030000 1.00800000 + 165 HC 15 ALA HB3 165 0.06030000 1.00800000 + 166 C 15 ALA C 166 0.59730000 12.01000000 + 167 O 15 ALA O 167 -0.56790000 16.00000000 + 168 N 16 ALA N 168 -0.41570000 14.01000000 + 169 H 16 ALA H 169 0.27190000 1.00800000 + 170 CX 16 ALA CA 170 0.03370000 12.01000000 + 171 H1 16 ALA HA 171 0.08230000 1.00800000 + 172 CT 16 ALA CB 172 -0.18250000 12.01000000 + 173 HC 16 ALA HB1 173 0.06030000 1.00800000 + 174 HC 16 ALA HB2 174 0.06030000 1.00800000 + 175 HC 16 ALA HB3 175 0.06030000 1.00800000 + 176 C 16 ALA C 176 0.59730000 12.01000000 + 177 O 16 ALA O 177 -0.56790000 16.00000000 + 178 N 17 NME N 178 -0.41570000 14.01000000 + 179 H 17 NME H 179 0.27190000 1.00800000 + 180 CT 17 NME C 180 -0.14900000 12.01000000 + 181 H1 17 NME H1 181 0.09760000 1.00800000 + 182 H1 17 NME H2 182 0.09760000 1.00800000 + 183 H1 17 NME H3 183 0.09760000 1.00800000 + + +[ bonds ] +; ai aj funct r k + 1 2 1 1.09000000e-01 2.84512000e+05 + 2 3 1 1.09000000e-01 2.84512000e+05 + 2 4 1 1.09000000e-01 2.84512000e+05 + 2 5 1 1.52200000e-01 2.65265600e+05 + 5 6 1 1.22900000e-01 4.76976000e+05 + 5 7 1 1.33500000e-01 4.10032000e+05 + 7 8 1 1.01000000e-01 3.63171200e+05 + 7 9 1 1.44900000e-01 2.82001600e+05 + 9 10 1 1.09000000e-01 2.84512000e+05 + 9 11 1 1.52600000e-01 2.59408000e+05 + 9 15 1 1.52200000e-01 2.65265600e+05 + 11 12 1 1.09000000e-01 2.84512000e+05 + 11 13 1 1.09000000e-01 2.84512000e+05 + 11 14 1 1.09000000e-01 2.84512000e+05 + 15 16 1 1.22900000e-01 4.76976000e+05 + 15 17 1 1.33500000e-01 4.10032000e+05 + 17 18 1 1.01000000e-01 3.63171200e+05 + 17 19 1 1.44900000e-01 2.82001600e+05 + 19 20 1 1.09000000e-01 2.84512000e+05 + 19 21 1 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1 1.80000077e+02 1.04600000e+01 2.00000000e+00 + 177 176 178 180 1 1.80000077e+02 1.04600000e+01 2.00000000e+00 + 179 178 180 181 3 0.00000000e+00 -0.00000000e+00 0.00000000e+00 -0.00000000e+00 0.00000000e+00 -0.00000000e+00 + 179 178 180 182 3 0.00000000e+00 -0.00000000e+00 0.00000000e+00 -0.00000000e+00 0.00000000e+00 -0.00000000e+00 + 179 178 180 183 3 0.00000000e+00 -0.00000000e+00 0.00000000e+00 -0.00000000e+00 0.00000000e+00 -0.00000000e+00 + + diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/long_peptide.pdb b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/long_peptide.pdb new file mode 100644 index 00000000..c1f0426c --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/long_peptide.pdb @@ -0,0 +1,189 @@ +TITLE Untitled +REMARK THIS IS A SIMULATION BOX +CRYST1 70.000 70.000 70.000 90.00 90.00 90.00 P 1 1 +MODEL 1 +ATOM 1 H1 ACE 1 -1.718 -3.527 -1.548 1.00 0.00 +ATOM 2 CH3 ACE 1 -2.415 -2.758 -1.215 1.00 0.00 +ATOM 3 H2 ACE 1 -2.753 -2.987 -0.204 1.00 0.00 +ATOM 4 H3 ACE 1 -3.273 -2.730 -1.887 1.00 0.00 +ATOM 5 C ACE 1 -1.723 -1.412 -1.223 1.00 0.00 +ATOM 6 O ACE 1 -2.146 -0.482 -1.923 1.00 0.00 +ATOM 7 N ALA 2 -0.677 -1.230 -0.491 1.00 0.00 +ATOM 8 H ALA 2 -0.260 -1.937 0.114 1.00 0.00 +ATOM 9 CA ALA 2 -0.001 0.064 -0.491 1.00 0.00 +ATOM 10 HA ALA 2 -0.231 0.622 -1.398 1.00 0.00 +ATOM 11 CB ALA 2 -0.509 0.856 0.727 1.00 0.00 +ATOM 12 HB1 ALA 2 -0.022 1.831 0.756 1.00 0.00 +ATOM 13 HB2 ALA 2 -1.588 0.992 0.649 1.00 0.00 +ATOM 14 HB3 ALA 2 -0.278 0.307 1.640 1.00 0.00 +ATOM 15 C ALA 2 1.499 -0.110 -0.491 1.00 0.00 +ATOM 16 O ALA 2 2.233 0.524 -1.257 1.00 0.00 +ATOM 17 N ALA 3 2.031 -0.947 0.335 1.00 0.00 +ATOM 18 H ALA 3 1.519 -1.519 1.007 1.00 0.00 +ATOM 19 CA ALA 3 3.481 -1.115 0.335 1.00 0.00 +ATOM 20 HA ALA 3 3.981 -0.174 0.564 1.00 0.00 +ATOM 21 CB ALA 3 3.832 -2.145 1.422 1.00 0.00 +ATOM 22 HB1 ALA 3 4.912 -2.293 1.448 1.00 0.00 +ATOM 23 HB2 ALA 3 3.493 -1.781 2.392 1.00 0.00 +ATOM 24 HB3 ALA 3 3.341 -3.092 1.198 1.00 0.00 +ATOM 25 C ALA 3 3.979 -1.516 -1.034 1.00 0.00 +ATOM 26 O ALA 3 4.951 -0.967 -1.565 1.00 0.00 +ATOM 27 N GLN 4 3.371 -2.461 -1.667 1.00 0.00 +ATOM 28 H GLN 4 2.563 -2.978 -1.321 1.00 0.00 +ATOM 29 CA GLN 4 3.851 -2.849 -2.990 1.00 0.00 +ATOM 30 HA GLN 4 4.878 -3.207 -2.913 1.00 0.00 +ATOM 31 CB GLN 4 2.949 -3.980 -3.532 1.00 0.00 +ATOM 32 HB2 GLN 4 2.950 -4.795 -2.809 1.00 0.00 +ATOM 33 HB3 GLN 4 1.927 -3.606 -3.589 1.00 0.00 +ATOM 34 CG GLN 4 3.337 -4.563 -4.930 1.00 0.00 +ATOM 35 HG2 GLN 4 3.385 -3.730 -5.631 1.00 0.00 +ATOM 36 HG3 GLN 4 4.345 -4.970 -4.848 1.00 0.00 +ATOM 37 CD GLN 4 2.452 -5.646 -5.560 1.00 0.00 +ATOM 38 OE1 GLN 4 2.700 -6.098 -6.667 1.00 0.00 +ATOM 39 NE2 GLN 4 1.397 -6.082 -4.921 1.00 0.00 +ATOM 40 HE21 GLN 4 1.174 -5.716 -3.995 1.00 0.00 +ATOM 41 HE22 GLN 4 0.797 -6.788 -5.348 1.00 0.00 +ATOM 42 C GLN 4 3.863 -1.668 -3.931 1.00 0.00 +ATOM 43 O GLN 4 4.831 -1.414 -4.644 1.00 0.00 +ATOM 44 N ALA 5 2.826 -0.903 -3.988 1.00 0.00 +ATOM 45 H ALA 5 1.973 -1.024 -3.442 1.00 0.00 +ATOM 46 CA ALA 5 2.838 0.239 -4.898 1.00 0.00 +ATOM 47 HA ALA 5 2.974 -0.087 -5.929 1.00 0.00 +ATOM 48 CB ALA 5 1.480 0.950 -4.773 1.00 0.00 +ATOM 49 HB1 ALA 5 1.457 1.810 -5.442 1.00 0.00 +ATOM 50 HB2 ALA 5 0.681 0.259 -5.043 1.00 0.00 +ATOM 51 HB3 ALA 5 1.338 1.285 -3.746 1.00 0.00 +ATOM 52 C ALA 5 4.005 1.151 -4.605 1.00 0.00 +ATOM 53 O ALA 5 4.741 1.583 -5.500 1.00 0.00 +ATOM 54 N ALA 6 4.242 1.489 -3.383 1.00 0.00 +ATOM 55 H ALA 6 3.700 1.190 -2.572 1.00 0.00 +ATOM 56 CA ALA 6 5.371 2.371 -3.100 1.00 0.00 +ATOM 57 HA ALA 6 5.257 3.325 -3.615 1.00 0.00 +ATOM 58 CB ALA 6 5.399 2.621 -1.582 1.00 0.00 +ATOM 59 HB1 ALA 6 6.233 3.278 -1.337 1.00 0.00 +ATOM 60 HB2 ALA 6 4.465 3.090 -1.273 1.00 0.00 +ATOM 61 HB3 ALA 6 5.519 1.672 -1.059 1.00 0.00 +ATOM 62 C ALA 6 6.661 1.782 -3.620 1.00 0.00 +ATOM 63 O ALA 6 7.470 2.451 -4.274 1.00 0.00 +ATOM 64 N ALA 7 6.926 0.544 -3.374 1.00 0.00 +ATOM 65 H ALA 7 6.330 -0.094 -2.846 1.00 0.00 +ATOM 66 CA ALA 7 8.173 -0.025 -3.877 1.00 0.00 +ATOM 67 HA ALA 7 9.034 0.508 -3.474 1.00 0.00 +ATOM 68 CB ALA 7 8.234 -1.493 -3.420 1.00 0.00 +ATOM 69 HB1 ALA 7 9.156 -1.948 -3.781 1.00 0.00 +ATOM 70 HB2 ALA 7 8.209 -1.536 -2.331 1.00 0.00 +ATOM 71 HB3 ALA 7 7.379 -2.036 -3.824 1.00 0.00 +ATOM 72 C ALA 7 8.270 0.126 -5.376 1.00 0.00 +ATOM 73 O ALA 7 9.294 0.543 -5.929 1.00 0.00 +ATOM 74 N ALA 8 7.252 -0.191 -6.103 1.00 0.00 +ATOM 75 H ALA 8 6.362 -0.543 -5.751 1.00 0.00 +ATOM 76 CA ALA 8 7.346 -0.046 -7.553 1.00 0.00 +ATOM 77 HA ALA 8 8.151 -0.662 -7.954 1.00 0.00 +ATOM 78 CB ALA 8 6.010 -0.513 -8.156 1.00 0.00 +ATOM 79 HB1 ALA 8 6.047 -0.417 -9.241 1.00 0.00 +ATOM 80 HB2 ALA 8 5.835 -1.555 -7.890 1.00 0.00 +ATOM 81 HB3 ALA 8 5.200 0.102 -7.765 1.00 0.00 +ATOM 82 C ALA 8 7.694 1.374 -7.932 1.00 0.00 +ATOM 83 O ALA 8 8.577 1.634 -8.758 1.00 0.00 +ATOM 84 N GLN 9 7.051 2.345 -7.377 1.00 0.00 +ATOM 85 H GLN 9 6.308 2.241 -6.686 1.00 0.00 +ATOM 86 CA GLN 9 7.387 3.717 -7.743 1.00 0.00 +ATOM 87 HA GLN 9 7.209 3.863 -8.808 1.00 0.00 +ATOM 88 CB GLN 9 6.490 4.679 -6.933 1.00 0.00 +ATOM 89 HB2 GLN 9 5.449 4.418 -7.122 1.00 0.00 +ATOM 90 HB3 GLN 9 6.674 4.508 -5.872 1.00 0.00 +ATOM 91 CG GLN 9 6.675 6.205 -7.224 1.00 0.00 +ATOM 92 HG2 GLN 9 7.730 6.441 -7.083 1.00 0.00 +ATOM 93 HG3 GLN 9 6.450 6.368 -8.278 1.00 0.00 +ATOM 94 CD GLN 9 5.862 7.224 -6.415 1.00 0.00 +ATOM 95 OE1 GLN 9 6.007 8.424 -6.585 1.00 0.00 +ATOM 96 NE2 GLN 9 5.016 6.812 -5.505 1.00 0.00 +ATOM 97 HE21 GLN 9 4.881 5.813 -5.349 1.00 0.00 +ATOM 98 HE22 GLN 9 4.491 7.490 -4.952 1.00 0.00 +ATOM 99 C GLN 9 8.849 4.002 -7.495 1.00 0.00 +ATOM 100 O GLN 9 9.555 4.560 -8.333 1.00 0.00 +ATOM 101 N ALA 10 9.374 3.648 -6.371 1.00 0.00 +ATOM 102 H ALA 10 8.880 3.180 -5.611 1.00 0.00 +ATOM 103 CA ALA 10 10.787 3.924 -6.132 1.00 0.00 +ATOM 104 HA ALA 10 10.988 4.994 -6.185 1.00 0.00 +ATOM 105 CB ALA 10 11.129 3.420 -4.719 1.00 0.00 +ATOM 106 HB1 ALA 10 12.181 3.612 -4.509 1.00 0.00 +ATOM 107 HB2 ALA 10 10.512 3.942 -3.987 1.00 0.00 +ATOM 108 HB3 ALA 10 10.937 2.349 -4.658 1.00 0.00 +ATOM 109 C ALA 10 11.648 3.296 -7.201 1.00 0.00 +ATOM 110 O ALA 10 12.554 3.921 -7.766 1.00 0.00 +ATOM 111 N ALA 11 11.433 2.069 -7.536 1.00 0.00 +ATOM 112 H ALA 11 10.715 1.465 -7.135 1.00 0.00 +ATOM 113 CA ALA 11 12.266 1.462 -8.570 1.00 0.00 +ATOM 114 HA ALA 11 13.316 1.469 -8.276 1.00 0.00 +ATOM 115 CB ALA 11 11.804 0.005 -8.746 1.00 0.00 +ATOM 116 HB1 ALA 11 12.408 -0.478 -9.514 1.00 0.00 +ATOM 117 HB2 ALA 11 11.920 -0.530 -7.803 1.00 0.00 +ATOM 118 HB3 ALA 11 10.756 -0.011 -9.046 1.00 0.00 +ATOM 119 C ALA 11 12.199 2.255 -9.853 1.00 0.00 +ATOM 120 O ALA 11 13.214 2.561 -10.489 1.00 0.00 +ATOM 121 N ALA 12 11.046 2.625 -10.300 1.00 0.00 +ATOM 122 H ALA 12 10.150 2.426 -9.856 1.00 0.00 +ATOM 123 CA ALA 12 10.981 3.392 -11.540 1.00 0.00 +ATOM 124 HA ALA 12 11.409 2.828 -12.368 1.00 0.00 +ATOM 125 CB ALA 12 9.499 3.672 -11.839 1.00 0.00 +ATOM 126 HB1 ALA 12 9.416 4.245 -12.762 1.00 0.00 +ATOM 127 HB2 ALA 12 8.965 2.728 -11.949 1.00 0.00 +ATOM 128 HB3 ALA 12 9.063 4.241 -11.018 1.00 0.00 +ATOM 129 C ALA 12 11.806 4.653 -11.440 1.00 0.00 +ATOM 130 O ALA 12 12.592 4.996 -12.331 1.00 0.00 +ATOM 131 N ALA 13 11.687 5.396 -10.392 1.00 0.00 +ATOM 132 H ALA 13 11.070 5.207 -9.602 1.00 0.00 +ATOM 133 CA ALA 13 12.485 6.615 -10.294 1.00 0.00 +ATOM 134 HA ALA 13 12.260 7.294 -11.117 1.00 0.00 +ATOM 135 CB ALA 13 12.126 7.303 -8.966 1.00 0.00 +ATOM 136 HB1 ALA 13 12.707 8.219 -8.862 1.00 0.00 +ATOM 137 HB2 ALA 13 11.063 7.544 -8.957 1.00 0.00 +ATOM 138 HB3 ALA 13 12.353 6.634 -8.136 1.00 0.00 +ATOM 139 C ALA 13 13.958 6.307 -10.414 1.00 0.00 +ATOM 140 O ALA 13 14.706 6.958 -11.154 1.00 0.00 +ATOM 141 N GLN 14 14.452 5.336 -9.724 1.00 0.00 +ATOM 142 H GLN 14 13.926 4.738 -9.087 1.00 0.00 +ATOM 143 CA GLN 14 15.876 5.039 -9.839 1.00 0.00 +ATOM 144 HA GLN 14 16.454 5.906 -9.519 1.00 0.00 +ATOM 145 CB GLN 14 16.206 3.833 -8.930 1.00 0.00 +ATOM 146 HB2 GLN 14 15.889 4.072 -7.915 1.00 0.00 +ATOM 147 HB3 GLN 14 15.609 2.983 -9.259 1.00 0.00 +ATOM 148 CG GLN 14 17.705 3.392 -8.885 1.00 0.00 +ATOM 149 HG2 GLN 14 18.024 3.208 -9.911 1.00 0.00 +ATOM 150 HG3 GLN 14 18.285 4.238 -8.517 1.00 0.00 +ATOM 151 CD GLN 14 18.098 2.165 -8.052 1.00 0.00 +ATOM 152 OE1 GLN 14 19.252 1.765 -8.023 1.00 0.00 +ATOM 153 NE2 GLN 14 17.186 1.512 -7.378 1.00 0.00 +ATOM 154 HE21 GLN 14 16.217 1.831 -7.390 1.00 0.00 +ATOM 155 HE22 GLN 14 17.444 0.684 -6.841 1.00 0.00 +ATOM 156 C GLN 14 16.257 4.755 -11.273 1.00 0.00 +ATOM 157 O GLN 14 17.242 5.269 -11.798 1.00 0.00 +ATOM 158 N ALA 15 15.527 3.949 -11.966 1.00 0.00 +ATOM 159 H ALA 15 14.692 3.471 -11.628 1.00 0.00 +ATOM 160 CA ALA 15 15.896 3.675 -13.352 1.00 0.00 +ATOM 161 HA ALA 15 16.891 3.234 -13.410 1.00 0.00 +ATOM 162 CB ALA 15 14.873 2.675 -13.919 1.00 0.00 +ATOM 163 HB1 ALA 15 15.121 2.449 -14.956 1.00 0.00 +ATOM 164 HB2 ALA 15 14.897 1.757 -13.332 1.00 0.00 +ATOM 165 HB3 ALA 15 13.875 3.110 -13.871 1.00 0.00 +ATOM 166 C ALA 15 15.971 4.953 -14.153 1.00 0.00 +ATOM 167 O ALA 15 16.924 5.204 -14.900 1.00 0.00 +ATOM 168 N ALA 16 15.010 5.809 -14.056 1.00 0.00 +ATOM 169 H ALA 16 14.180 5.701 -13.472 1.00 0.00 +ATOM 170 CA ALA 16 15.083 7.044 -14.831 1.00 0.00 +ATOM 171 HA ALA 16 15.131 6.831 -15.899 1.00 0.00 +ATOM 172 CB ALA 16 13.808 7.854 -14.539 1.00 0.00 +ATOM 173 HB1 ALA 16 13.831 8.786 -15.104 1.00 0.00 +ATOM 174 HB2 ALA 16 12.933 7.274 -14.832 1.00 0.00 +ATOM 175 HB3 ALA 16 13.755 8.077 -13.473 1.00 0.00 +ATOM 176 C ALA 16 16.347 7.807 -14.514 1.00 0.00 +ATOM 177 O ALA 16 16.740 7.972 -13.353 1.00 0.00 +ATOM 178 N NME 17 17.038 8.303 -15.484 1.00 0.00 +ATOM 179 H NME 17 16.756 8.193 -16.448 1.00 0.00 +ATOM 180 C NME 17 18.257 9.042 -15.203 1.00 0.00 +ATOM 181 H1 NME 17 18.424 9.072 -14.126 1.00 0.00 +ATOM 182 H2 NME 17 19.101 8.550 -15.687 1.00 0.00 +ATOM 183 H3 NME 17 18.162 10.059 -15.584 1.00 0.00 +TER +ENDMDL diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/long_peptide.top b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/long_peptide.top new file mode 100644 index 00000000..ae9b85ff --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/long_peptide.top @@ -0,0 +1,1949 @@ +[ defaults ] +; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ + 1 2 yes 0.500000 0.833333 + +[ atomtypes ] +;type, bondingtype, atomic_number, mass, charge, ptype, sigma, epsilon +2C 2C 6 12.01000000 0.00000000 A 3.39966950e-01 4.57729600e-01 +C C 6 12.01000000 0.00000000 A 3.39966950e-01 3.59824000e-01 +CT CT 6 12.01000000 0.00000000 A 3.39966950e-01 4.57729600e-01 +CX CX 6 12.01000000 0.00000000 A 3.39966950e-01 4.57729600e-01 +H H 1 1.00800000 0.00000000 A 1.06907850e-01 6.56888000e-02 +H1 H1 1 1.00800000 0.00000000 A 2.47135300e-01 6.56888000e-02 +HC HC 1 1.00800000 0.00000000 A 2.64953280e-01 6.56888000e-02 +N N 7 14.01000000 0.00000000 A 3.24999850e-01 7.11280000e-01 +O O 8 16.00000000 0.00000000 A 2.95992190e-01 8.78640000e-01 + +[ moleculetype ] +system1 3 + +[ atoms ] +;num, type, resnum, resname, atomname, cgnr, q, m + 1 HC 1 ACE H1 1 0.11230000 1.00800000 + 2 CT 1 ACE CH3 2 -0.36620000 12.01000000 + 3 HC 1 ACE H2 3 0.11230000 1.00800000 + 4 HC 1 ACE H3 4 0.11230000 1.00800000 + 5 C 1 ACE C 5 0.59720000 12.01000000 + 6 O 1 ACE O 6 -0.56790000 16.00000000 + 7 N 2 ALA N 7 -0.41570000 14.01000000 + 8 H 2 ALA H 8 0.27190000 1.00800000 + 9 CX 2 ALA CA 9 0.03370000 12.01000000 + 10 H1 2 ALA HA 10 0.08230000 1.00800000 + 11 CT 2 ALA CB 11 -0.18250000 12.01000000 + 12 HC 2 ALA HB1 12 0.06030000 1.00800000 + 13 HC 2 ALA HB2 13 0.06030000 1.00800000 + 14 HC 2 ALA HB3 14 0.06030000 1.00800000 + 15 C 2 ALA C 15 0.59730000 12.01000000 + 16 O 2 ALA O 16 -0.56790000 16.00000000 + 17 N 3 ALA N 17 -0.41570000 14.01000000 + 18 H 3 ALA H 18 0.27190000 1.00800000 + 19 CX 3 ALA CA 19 0.03370000 12.01000000 + 20 H1 3 ALA HA 20 0.08230000 1.00800000 + 21 CT 3 ALA CB 21 -0.18250000 12.01000000 + 22 HC 3 ALA HB1 22 0.06030000 1.00800000 + 23 HC 3 ALA HB2 23 0.06030000 1.00800000 + 24 HC 3 ALA HB3 24 0.06030000 1.00800000 + 25 C 3 ALA C 25 0.59730000 12.01000000 + 26 O 3 ALA O 26 -0.56790000 16.00000000 + 27 N 4 GLN N 27 -0.41570000 14.01000000 + 28 H 4 GLN H 28 0.27190000 1.00800000 + 29 CX 4 GLN CA 29 -0.00310000 12.01000000 + 30 H1 4 GLN HA 30 0.08500000 1.00800000 + 31 2C 4 GLN CB 31 -0.00360000 12.01000000 + 32 HC 4 GLN HB2 32 0.01710000 1.00800000 + 33 HC 4 GLN HB3 33 0.01710000 1.00800000 + 34 2C 4 GLN CG 34 -0.06450000 12.01000000 + 35 HC 4 GLN HG2 35 0.03520000 1.00800000 + 36 HC 4 GLN HG3 36 0.03520000 1.00800000 + 37 C 4 GLN CD 37 0.69510000 12.01000000 + 38 O 4 GLN OE1 38 -0.60860000 16.00000000 + 39 N 4 GLN NE2 39 -0.94070000 14.01000000 + 40 H 4 GLN HE21 40 0.42510000 1.00800000 + 41 H 4 GLN HE22 41 0.42510000 1.00800000 + 42 C 4 GLN C 42 0.59730000 12.01000000 + 43 O 4 GLN O 43 -0.56790000 16.00000000 + 44 N 5 ALA N 44 -0.41570000 14.01000000 + 45 H 5 ALA H 45 0.27190000 1.00800000 + 46 CX 5 ALA CA 46 0.03370000 12.01000000 + 47 H1 5 ALA HA 47 0.08230000 1.00800000 + 48 CT 5 ALA CB 48 -0.18250000 12.01000000 + 49 HC 5 ALA HB1 49 0.06030000 1.00800000 + 50 HC 5 ALA HB2 50 0.06030000 1.00800000 + 51 HC 5 ALA HB3 51 0.06030000 1.00800000 + 52 C 5 ALA C 52 0.59730000 12.01000000 + 53 O 5 ALA O 53 -0.56790000 16.00000000 + 54 N 6 ALA N 54 -0.41570000 14.01000000 + 55 H 6 ALA H 55 0.27190000 1.00800000 + 56 CX 6 ALA CA 56 0.03370000 12.01000000 + 57 H1 6 ALA HA 57 0.08230000 1.00800000 + 58 CT 6 ALA CB 58 -0.18250000 12.01000000 + 59 HC 6 ALA HB1 59 0.06030000 1.00800000 + 60 HC 6 ALA HB2 60 0.06030000 1.00800000 + 61 HC 6 ALA HB3 61 0.06030000 1.00800000 + 62 C 6 ALA C 62 0.59730000 12.01000000 + 63 O 6 ALA O 63 -0.56790000 16.00000000 + 64 N 7 ALA N 64 -0.41570000 14.01000000 + 65 H 7 ALA H 65 0.27190000 1.00800000 + 66 CX 7 ALA CA 66 0.03370000 12.01000000 + 67 H1 7 ALA HA 67 0.08230000 1.00800000 + 68 CT 7 ALA CB 68 -0.18250000 12.01000000 + 69 HC 7 ALA HB1 69 0.06030000 1.00800000 + 70 HC 7 ALA HB2 70 0.06030000 1.00800000 + 71 HC 7 ALA HB3 71 0.06030000 1.00800000 + 72 C 7 ALA C 72 0.59730000 12.01000000 + 73 O 7 ALA O 73 -0.56790000 16.00000000 + 74 N 8 ALA N 74 -0.41570000 14.01000000 + 75 H 8 ALA H 75 0.27190000 1.00800000 + 76 CX 8 ALA CA 76 0.03370000 12.01000000 + 77 H1 8 ALA HA 77 0.08230000 1.00800000 + 78 CT 8 ALA CB 78 -0.18250000 12.01000000 + 79 HC 8 ALA HB1 79 0.06030000 1.00800000 + 80 HC 8 ALA HB2 80 0.06030000 1.00800000 + 81 HC 8 ALA HB3 81 0.06030000 1.00800000 + 82 C 8 ALA C 82 0.59730000 12.01000000 + 83 O 8 ALA O 83 -0.56790000 16.00000000 + 84 N 9 GLN N 84 -0.41570000 14.01000000 + 85 H 9 GLN H 85 0.27190000 1.00800000 + 86 CX 9 GLN CA 86 -0.00310000 12.01000000 + 87 H1 9 GLN HA 87 0.08500000 1.00800000 + 88 2C 9 GLN CB 88 -0.00360000 12.01000000 + 89 HC 9 GLN HB2 89 0.01710000 1.00800000 + 90 HC 9 GLN HB3 90 0.01710000 1.00800000 + 91 2C 9 GLN CG 91 -0.06450000 12.01000000 + 92 HC 9 GLN HG2 92 0.03520000 1.00800000 + 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1.04600000e+01 2.00000000e+00 + 177 176 178 180 1 1.80000077e+02 1.04600000e+01 2.00000000e+00 + 179 178 180 181 3 0.00000000e+00 -0.00000000e+00 0.00000000e+00 -0.00000000e+00 0.00000000e+00 -0.00000000e+00 + 179 178 180 182 3 0.00000000e+00 -0.00000000e+00 0.00000000e+00 -0.00000000e+00 0.00000000e+00 -0.00000000e+00 + 179 178 180 183 3 0.00000000e+00 -0.00000000e+00 0.00000000e+00 -0.00000000e+00 0.00000000e+00 -0.00000000e+00 + +[ system ] +Untitled + +[ molecules ] +; Compound nmols +system1 1 diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/solvate.inp b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/solvate.inp new file mode 100644 index 00000000..0c867e03 --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/solvate.inp @@ -0,0 +1,29 @@ +# Helical peptide solvated by water + +tolerance 2.0 +filetype pdb +output solvated_peptide.pdb + +# Place peptide at center of box +structure long_peptide.pdb + number 1 + fixed 30. 30. 30. 90. 90. 90. + centerofmass +end structure + +# add ions +structure f.pdb + number 8 + inside box 0. 0. 0. 60. 60. 60. +end structure + +structure k.pdb + number 8 + inside box 0. 0. 0. 60. 60. 60. +end structure + +# Pack water around peptide +structure h2o.pdb + number 2133 + inside box 0. 0. 0. 60. 60. 60. +end structure diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/solvated_peptide.gro b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/solvated_peptide.gro new file mode 100644 index 00000000..be79fa00 --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/solvated_peptide.gro @@ -0,0 +1,6601 @@ +Built with Packmol + 6598 + 1ACE H1 1 3.024 4.303 2.876 + 1ACE CH3 2 3.071 4.330 2.781 + 1ACE H2 3 3.145 4.408 2.797 + 1ACE H3 4 2.994 4.367 2.712 + 1ACE C 5 3.138 4.208 2.721 + 1ACE O 6 3.104 4.164 2.611 + 2ALA N 7 3.231 4.149 2.787 + 2ALA H 8 3.266 4.177 2.879 + 2ALA CA 9 3.297 4.031 2.731 + 2ALA HA 10 3.234 3.983 2.656 + 2ALA CB 11 3.427 4.077 2.664 + 2ALA HB1 12 3.479 3.992 2.620 + 2ALA HB2 13 3.404 4.149 2.585 + 2ALA HB3 14 3.492 4.125 2.738 + 2ALA C 15 3.320 3.926 2.837 + 2ALA O 16 3.292 3.807 2.819 + 3ALA N 17 3.371 3.962 2.950 + 3ALA H 18 3.398 4.057 2.975 + 3ALA CA 19 3.393 3.860 3.053 + 3ALA HA 20 3.462 3.783 3.017 + 3ALA CB 21 3.456 3.930 3.174 + 3ALA HB1 22 3.474 3.857 3.253 + 3ALA HB2 23 3.551 3.976 3.145 + 3ALA HB3 24 3.389 4.007 3.211 + 3ALA C 25 3.265 3.788 3.086 + 3ALA O 26 3.259 3.665 3.094 + 4GLN N 27 3.158 3.858 3.108 + 4GLN H 28 3.152 3.959 3.104 + 4GLN CA 29 3.034 3.788 3.140 + 4GLN HA 30 3.047 3.732 3.233 + 4GLN CB 31 2.922 3.893 3.159 + 4GLN HB2 32 2.954 3.964 3.236 + 4GLN HB3 33 2.912 3.949 3.067 + 4GLN CG 34 2.782 3.837 3.200 + 4GLN HG2 35 2.753 3.763 3.125 + 4GLN HG3 36 2.793 3.785 3.295 + 4GLN CD 37 2.664 3.935 3.214 + 4GLN OE1 38 2.552 3.895 3.242 + 4GLN NE2 39 2.683 4.063 3.195 + 4GLN HE21 40 2.776 4.098 3.172 + 4GLN HE22 41 2.604 4.128 3.203 + 4GLN C 42 2.998 3.689 3.033 + 4GLN O 43 2.963 3.574 3.059 + 5ALA N 44 3.002 3.726 2.909 + 5ALA H 45 3.029 3.819 2.876 + 5ALA CA 46 2.967 3.630 2.805 + 5ALA HA 47 2.864 3.595 2.817 + 5ALA CB 48 2.979 3.701 2.669 + 5ALA HB1 49 2.953 3.632 2.589 + 5ALA HB2 50 2.911 3.787 2.667 + 5ALA HB3 51 3.082 3.736 2.656 + 5ALA C 52 3.053 3.506 2.814 + 5ALA O 53 3.005 3.392 2.809 + 6ALA N 54 3.181 3.520 2.828 + 6ALA H 55 3.230 3.609 2.833 + 6ALA CA 56 3.264 3.400 2.836 + 6ALA HA 57 3.254 3.339 2.747 + 6ALA CB 58 3.410 3.446 2.850 + 6ALA HB1 59 3.475 3.359 2.856 + 6ALA HB2 60 3.438 3.505 2.762 + 6ALA HB3 61 3.421 3.507 2.939 + 6ALA C 62 3.220 3.312 2.951 + 6ALA O 63 3.204 3.190 2.937 + 7ALA N 64 3.197 3.365 3.066 + 7ALA H 65 3.207 3.464 3.088 + 7ALA CA 66 3.155 3.280 3.176 + 7ALA HA 67 3.229 3.203 3.197 + 7ALA CB 68 3.138 3.369 3.300 + 7ALA HB1 69 3.106 3.308 3.385 + 7ALA HB2 70 3.233 3.416 3.324 + 7ALA HB3 71 3.063 3.445 3.281 + 7ALA C 72 3.029 3.204 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2.716 2.923 + 10ALA CB 105 3.277 2.845 3.081 + 10ALA HB1 106 3.324 2.763 3.136 + 10ALA HB2 107 3.351 2.894 3.018 + 10ALA HB3 108 3.235 2.917 3.152 + 10ALA C 109 3.060 2.712 3.073 + 10ALA O 110 3.053 2.589 3.070 + 11ALA N 111 2.977 2.778 3.146 + 11ALA H 112 2.974 2.880 3.155 + 11ALA CA 113 2.877 2.705 3.223 + 11ALA HA 114 2.925 2.636 3.293 + 11ALA CB 115 2.794 2.807 3.301 + 11ALA HB1 116 2.718 2.756 3.360 + 11ALA HB2 117 2.859 2.864 3.368 + 11ALA HB3 118 2.745 2.876 3.231 + 11ALA C 119 2.793 2.618 3.133 + 11ALA O 120 2.768 2.499 3.160 + 12ALA N 121 2.744 2.668 3.024 + 12ALA H 122 2.758 2.764 2.993 + 12ALA CA 123 2.663 2.584 2.937 + 12ALA HA 124 2.575 2.547 2.990 + 12ALA CB 125 2.618 2.670 2.818 + 12ALA HB1 126 2.556 2.610 2.751 + 12ALA HB2 127 2.559 2.755 2.854 + 12ALA HB3 128 2.705 2.707 2.764 + 12ALA C 129 2.739 2.461 2.895 + 12ALA O 130 2.689 2.348 2.899 + 13ALA N 131 2.860 2.473 2.852 + 13ALA H 132 2.911 2.562 2.844 + 13ALA CA 133 2.934 2.354 2.811 + 13ALA HA 134 2.883 2.303 2.729 + 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3.667 0.022 5.838 + 1193SOL HW 3778 3.698 0.168 5.888 + 1194SOL OW 3779 0.168 3.631 0.054 + 1194SOL HW 3780 0.100 3.613 0.123 + 1194SOL HW 3781 0.173 3.730 0.050 + 1195SOL OW 3782 3.339 0.336 5.824 + 1195SOL HW 3783 3.394 0.345 5.905 + 1195SOL HW 3784 3.252 0.302 5.856 + 1196SOL OW 3785 4.670 2.548 3.293 + 1196SOL HW 3786 4.623 2.461 3.291 + 1196SOL HW 3787 4.766 2.525 3.292 + 1197SOL OW 3788 4.169 1.586 4.915 + 1197SOL HW 3789 4.240 1.652 4.892 + 1197SOL HW 3790 4.114 1.631 4.983 + 1198SOL OW 3791 3.937 1.912 4.000 + 1198SOL HW 3792 4.007 1.843 4.012 + 1198SOL HW 3793 3.894 1.919 4.089 + 1199SOL OW 3794 2.289 4.740 1.064 + 1199SOL HW 3795 2.197 4.763 1.092 + 1199SOL HW 3796 2.344 4.818 1.093 + 1200SOL OW 3797 1.174 2.789 5.842 + 1200SOL HW 3798 1.243 2.826 5.781 + 1200SOL HW 3799 1.115 2.866 5.862 + 1201SOL OW 3800 1.701 4.154 1.547 + 1201SOL HW 3801 1.657 4.195 1.468 + 1201SOL HW 3802 1.728 4.064 1.517 + 1202SOL OW 3803 5.426 5.337 3.680 + 1202SOL HW 3804 5.431 5.259 3.618 + 1202SOL 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1276SOL HW 4027 2.716 1.809 3.831 + 1277SOL OW 4028 5.289 3.873 5.642 + 1277SOL HW 4029 5.192 3.887 5.627 + 1277SOL HW 4030 5.299 3.774 5.649 + 1278SOL OW 4031 5.257 3.621 2.602 + 1278SOL HW 4032 5.319 3.663 2.537 + 1278SOL HW 4033 5.180 3.591 2.547 + 1279SOL OW 4034 1.446 0.347 0.916 + 1279SOL HW 4035 1.367 0.291 0.896 + 1279SOL HW 4036 1.409 0.426 0.963 + 1280SOL OW 4037 2.116 2.694 5.817 + 1280SOL HW 4038 2.213 2.709 5.832 + 1280SOL HW 4039 2.095 2.748 5.737 + 1281SOL OW 4040 3.894 2.136 5.484 + 1281SOL HW 4041 3.804 2.108 5.454 + 1281SOL HW 4042 3.891 2.235 5.483 + 1282SOL OW 4043 4.360 0.608 3.230 + 1282SOL HW 4044 4.454 0.601 3.201 + 1282SOL HW 4045 4.335 0.702 3.212 + 1283SOL OW 4046 2.740 4.047 5.689 + 1283SOL HW 4047 2.663 4.030 5.749 + 1283SOL HW 4048 2.814 3.995 5.728 + 1284SOL OW 4049 3.665 2.786 2.481 + 1284SOL HW 4050 3.666 2.804 2.384 + 1284SOL HW 4051 3.759 2.791 2.509 + 1285SOL OW 4052 3.741 5.300 4.644 + 1285SOL HW 4053 3.657 5.307 4.591 + 1285SOL HW 4054 3.717 5.241 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1313SOL HW 4138 1.927 3.843 4.858 + 1314SOL OW 4139 3.752 0.549 2.530 + 1314SOL HW 4140 3.832 0.606 2.538 + 1314SOL HW 4141 3.677 0.608 2.557 + 1315SOL OW 4142 0.463 0.469 0.724 + 1315SOL HW 4143 0.493 0.380 0.756 + 1315SOL HW 4144 0.379 0.450 0.675 + 1316SOL OW 4145 4.667 5.354 3.000 + 1316SOL HW 4146 4.641 5.263 2.970 + 1316SOL HW 4147 4.764 5.346 3.020 + 1317SOL OW 4148 3.928 1.270 2.041 + 1317SOL HW 4149 4.011 1.258 1.988 + 1317SOL HW 4150 3.954 1.334 2.113 + 1318SOL OW 4151 0.700 3.786 3.802 + 1318SOL HW 4152 0.640 3.708 3.800 + 1318SOL HW 4153 0.758 3.776 3.722 + 1319SOL OW 4154 5.468 5.662 4.014 + 1319SOL HW 4155 5.435 5.725 4.083 + 1319SOL HW 4156 5.510 5.589 4.066 + 1320SOL OW 4157 1.759 2.322 4.231 + 1320SOL HW 4158 1.842 2.345 4.280 + 1320SOL HW 4159 1.753 2.224 4.238 + 1321SOL OW 4160 1.779 1.384 2.219 + 1321SOL HW 4161 1.775 1.482 2.204 + 1321SOL HW 4162 1.875 1.365 2.231 + 1322SOL OW 4163 0.780 1.448 5.784 + 1322SOL HW 4164 0.854 1.391 5.750 + 1322SOL HW 4165 0.820 1.539 5.791 + 1323SOL OW 4166 4.120 4.222 1.029 + 1323SOL HW 4167 4.093 4.127 1.029 + 1323SOL HW 4168 4.035 4.272 1.036 + 1324SOL OW 4169 2.850 2.112 0.665 + 1324SOL HW 4170 2.779 2.178 0.687 + 1324SOL HW 4171 2.917 2.164 0.613 + 1325SOL OW 4172 1.870 5.009 4.389 + 1325SOL HW 4173 1.789 5.024 4.442 + 1325SOL HW 4174 1.880 5.091 4.334 + 1326SOL OW 4175 4.618 3.907 3.522 + 1326SOL HW 4176 4.595 3.994 3.561 + 1326SOL HW 4177 4.547 3.846 3.552 + 1327SOL OW 4178 2.382 0.456 5.751 + 1327SOL HW 4179 2.391 0.372 5.803 + 1327SOL HW 4180 2.400 0.528 5.816 + 1328SOL OW 4181 1.140 4.172 3.745 + 1328SOL HW 4182 1.087 4.256 3.748 + 1328SOL HW 4183 1.073 4.100 3.752 + 1329SOL OW 4184 2.829 1.482 5.492 + 1329SOL HW 4185 2.886 1.502 5.413 + 1329SOL HW 4186 2.778 1.401 5.466 + 1330SOL OW 4187 0.898 4.187 4.685 + 1330SOL HW 4188 0.929 4.110 4.631 + 1330SOL HW 4189 0.800 4.189 4.673 + 1331SOL OW 4190 2.633 2.725 0.795 + 1331SOL HW 4191 2.731 2.739 0.796 + 1331SOL HW 4192 2.594 2.816 0.795 + 1332SOL OW 4193 1.604 2.900 3.944 + 1332SOL HW 4194 1.607 2.808 3.907 + 1332SOL HW 4195 1.518 2.905 3.992 + 1333SOL OW 4196 4.974 5.600 3.929 + 1333SOL HW 4197 4.991 5.505 3.908 + 1333SOL HW 4198 4.875 5.610 3.922 + 1334SOL OW 4199 2.554 0.728 3.025 + 1334SOL HW 4200 2.469 0.701 2.983 + 1334SOL HW 4201 2.530 0.801 3.087 + 1335SOL OW 4202 5.459 5.729 1.495 + 1335SOL HW 4203 5.435 5.823 1.512 + 1335SOL HW 4204 5.450 5.685 1.583 + 1336SOL OW 4205 3.392 3.590 4.481 + 1336SOL HW 4206 3.334 3.630 4.412 + 1336SOL HW 4207 3.471 3.555 4.431 + 1337SOL OW 4208 3.117 2.320 2.236 + 1337SOL HW 4209 3.020 2.321 2.259 + 1337SOL HW 4210 3.135 2.411 2.202 + 1338SOL OW 4211 2.141 4.062 0.879 + 1338SOL HW 4212 2.078 3.986 0.870 + 1338SOL HW 4213 2.084 4.141 0.894 + 1339SOL OW 4214 1.774 1.664 1.490 + 1339SOL HW 4215 1.782 1.589 1.553 + 1339SOL HW 4216 1.709 1.633 1.422 + 1340SOL OW 4217 2.010 1.221 3.709 + 1340SOL HW 4218 2.014 1.136 3.660 + 1340SOL HW 4219 2.031 1.290 3.642 + 1341SOL OW 4220 5.255 5.098 2.119 + 1341SOL HW 4221 5.326 5.144 2.069 + 1341SOL HW 4222 5.273 5.001 2.105 + 1342SOL OW 4223 4.722 1.315 5.599 + 1342SOL HW 4224 4.688 1.334 5.691 + 1342SOL HW 4225 4.725 1.404 5.555 + 1343SOL OW 4226 1.518 0.569 4.497 + 1343SOL HW 4227 1.557 0.494 4.446 + 1343SOL HW 4228 1.440 0.530 4.544 + 1344SOL OW 4229 2.359 1.514 4.955 + 1344SOL HW 4230 2.437 1.455 4.939 + 1344SOL HW 4231 2.398 1.596 4.994 + 1345SOL OW 4232 5.866 1.419 2.809 + 1345SOL HW 4233 5.777 1.460 2.822 + 1345SOL HW 4234 5.914 1.481 2.749 + 1346SOL OW 4235 3.776 1.018 4.414 + 1346SOL HW 4236 3.813 0.926 4.406 + 1346SOL HW 4237 3.685 1.005 4.451 + 1347SOL OW 4238 3.850 4.173 1.204 + 1347SOL HW 4239 3.806 4.113 1.269 + 1347SOL HW 4240 3.815 4.263 1.226 + 1348SOL OW 4241 5.289 0.912 5.872 + 1348SOL HW 4242 5.228 0.974 5.919 + 1348SOL HW 4243 5.378 0.928 5.913 + 1349SOL OW 4244 5.198 3.528 0.748 + 1349SOL HW 4245 5.115 3.487 0.713 + 1349SOL HW 4246 5.237 3.459 0.808 + 1350SOL OW 4247 0.559 1.535 5.818 + 1350SOL HW 4248 0.609 1.620 5.814 + 1350SOL HW 4249 0.464 1.561 5.820 + 1351SOL OW 4250 3.707 1.023 0.547 + 1351SOL HW 4251 3.737 1.100 0.602 + 1351SOL HW 4252 3.639 0.978 0.603 + 1352SOL OW 4253 5.856 4.185 5.864 + 1352SOL HW 4254 5.861 4.281 5.838 + 1352SOL HW 4255 5.800 4.184 5.945 + 1353SOL OW 4256 3.227 1.089 2.476 + 1353SOL HW 4257 3.167 1.165 2.453 + 1353SOL HW 4258 3.170 1.009 2.465 + 1354SOL OW 4259 3.863 0.654 0.726 + 1354SOL HW 4260 3.805 0.667 0.647 + 1354SOL HW 4261 3.955 0.649 0.689 + 1355SOL OW 4262 3.197 0.179 0.490 + 1355SOL HW 4263 3.253 0.260 0.501 + 1355SOL HW 4264 3.254 0.117 0.437 + 1356SOL OW 4265 4.733 3.450 4.665 + 1356SOL HW 4266 4.747 3.354 4.683 + 1356SOL HW 4267 4.635 3.463 4.676 + 1357SOL OW 4268 2.304 5.472 2.331 + 1357SOL HW 4269 2.258 5.444 2.414 + 1357SOL HW 4270 2.385 5.416 2.327 + 1358SOL OW 4271 1.108 5.421 2.582 + 1358SOL HW 4272 1.128 5.440 2.677 + 1358SOL HW 4273 1.033 5.357 2.586 + 1359SOL OW 4274 4.555 1.131 0.295 + 1359SOL HW 4275 4.556 1.230 0.295 + 1359SOL HW 4276 4.611 1.106 0.373 + 1360SOL OW 4277 2.935 1.738 0.049 + 1360SOL HW 4278 2.860 1.790 0.090 + 1360SOL HW 4279 3.014 1.797 0.059 + 1361SOL OW 4280 1.769 3.344 4.207 + 1361SOL HW 4281 1.696 3.400 4.169 + 1361SOL HW 4282 1.842 3.407 4.225 + 1362SOL OW 4283 4.187 1.159 1.738 + 1362SOL HW 4284 4.189 1.080 1.678 + 1362SOL HW 4285 4.283 1.177 1.757 + 1363SOL OW 4286 0.717 0.658 0.833 + 1363SOL HW 4287 0.709 0.744 0.880 + 1363SOL HW 4288 0.625 0.634 0.808 + 1364SOL OW 4289 5.138 5.644 0.471 + 1364SOL HW 4290 5.159 5.741 0.475 + 1364SOL HW 4291 5.225 5.599 0.479 + 1365SOL OW 4292 2.210 2.261 4.848 + 1365SOL HW 4293 2.255 2.234 4.931 + 1365SOL HW 4294 2.228 2.358 4.840 + 1366SOL OW 4295 1.332 2.739 4.741 + 1366SOL HW 4296 1.405 2.803 4.722 + 1366SOL HW 4297 1.252 2.795 4.753 + 1367SOL OW 4298 2.419 2.621 4.566 + 1367SOL HW 4299 2.489 2.557 4.539 + 1367SOL HW 4300 2.463 2.678 4.635 + 1368SOL OW 4301 1.006 4.859 3.474 + 1368SOL HW 4302 1.042 4.800 3.403 + 1368SOL HW 4303 1.085 4.903 3.513 + 1369SOL OW 4304 3.783 5.719 1.132 + 1369SOL HW 4305 3.754 5.710 1.226 + 1369SOL HW 4306 3.822 5.630 1.110 + 1370SOL OW 4307 4.336 2.461 3.173 + 1370SOL HW 4308 4.371 2.369 3.176 + 1370SOL HW 4309 4.398 2.513 3.230 + 1371SOL OW 4310 3.263 3.517 5.383 + 1371SOL HW 4311 3.281 3.440 5.442 + 1371SOL HW 4312 3.248 3.477 5.293 + 1372SOL OW 4313 0.134 0.679 5.755 + 1372SOL HW 4314 0.160 0.617 5.683 + 1372SOL HW 4315 0.210 0.677 5.819 + 1373SOL OW 4316 4.524 2.910 2.718 + 1373SOL HW 4317 4.427 2.928 2.713 + 1373SOL HW 4318 4.562 2.990 2.763 + 1374SOL OW 4319 3.685 3.012 0.770 + 1374SOL HW 4320 3.675 2.976 0.862 + 1374SOL HW 4321 3.646 3.103 0.775 + 1375SOL OW 4322 5.435 4.197 3.652 + 1375SOL HW 4323 5.492 4.273 3.679 + 1375SOL HW 4324 5.408 4.219 3.559 + 1376SOL OW 4325 2.588 4.547 1.829 + 1376SOL HW 4326 2.531 4.608 1.882 + 1376SOL HW 4327 2.681 4.579 1.847 + 1377SOL OW 4328 2.587 5.894 5.105 + 1377SOL HW 4329 2.573 5.884 5.008 + 1377SOL HW 4330 2.538 5.818 5.145 + 1378SOL OW 4331 2.110 2.647 4.787 + 1378SOL HW 4332 2.106 2.549 4.801 + 1378SOL HW 4333 2.015 2.675 4.777 + 1379SOL OW 4334 5.032 0.540 1.070 + 1379SOL HW 4335 4.998 0.586 0.989 + 1379SOL HW 4336 4.963 0.472 1.090 + 1380SOL OW 4337 0.574 1.391 3.713 + 1380SOL HW 4338 0.487 1.350 3.689 + 1380SOL HW 4339 0.564 1.418 3.807 + 1381SOL OW 4340 0.604 3.912 4.244 + 1381SOL HW 4341 0.618 4.003 4.280 + 1381SOL HW 4342 0.523 3.920 4.187 + 1382SOL OW 4343 4.782 4.962 0.810 + 1382SOL HW 4344 4.874 4.986 0.839 + 1382SOL HW 4345 4.728 4.970 0.893 + 1383SOL OW 4346 1.076 3.833 0.384 + 1383SOL HW 4347 1.041 3.768 0.451 + 1383SOL HW 4348 1.161 3.866 0.423 + 1384SOL OW 4349 3.548 3.365 5.891 + 1384SOL HW 4350 3.562 3.462 5.877 + 1384SOL HW 4351 3.496 3.359 5.975 + 1385SOL OW 4352 1.465 0.292 0.094 + 1385SOL HW 4353 1.509 0.372 0.132 + 1385SOL HW 4354 1.403 0.327 0.025 + 1386SOL OW 4355 5.154 0.604 5.659 + 1386SOL HW 4356 5.097 0.623 5.580 + 1386SOL HW 4357 5.101 0.539 5.712 + 1387SOL OW 4358 1.004 5.471 0.919 + 1387SOL HW 4359 0.981 5.501 0.827 + 1387SOL HW 4360 1.087 5.520 0.941 + 1388SOL OW 4361 1.247 4.501 4.977 + 1388SOL HW 4362 1.172 4.436 4.977 + 1388SOL HW 4363 1.205 4.587 4.952 + 1389SOL OW 4364 3.455 0.809 5.277 + 1389SOL HW 4365 3.515 0.750 5.225 + 1389SOL HW 4366 3.501 0.896 5.279 + 1390SOL OW 4367 2.560 1.959 1.520 + 1390SOL HW 4368 2.640 1.900 1.514 + 1390SOL HW 4369 2.597 2.050 1.533 + 1391SOL OW 4370 0.007 4.715 1.183 + 1391SOL HW 4371 0.100 4.712 1.216 + 1391SOL HW 4372 -0.010 4.811 1.165 + 1392SOL OW 4373 4.101 4.676 3.157 + 1392SOL HW 4374 4.168 4.734 3.111 + 1392SOL HW 4375 4.156 4.613 3.210 + 1393SOL OW 4376 5.857 0.384 4.893 + 1393SOL HW 4377 5.804 0.335 4.961 + 1393SOL HW 4378 5.811 0.472 4.885 + 1394SOL OW 4379 1.834 3.306 4.534 + 1394SOL HW 4380 1.831 3.237 4.464 + 1394SOL HW 4381 1.903 3.370 4.504 + 1395SOL OW 4382 4.873 2.047 5.955 + 1395SOL HW 4383 4.952 2.105 5.935 + 1395SOL HW 4384 4.912 1.959 5.976 + 1396SOL OW 4385 4.070 1.228 2.522 + 1396SOL HW 4386 4.021 1.311 2.500 + 1396SOL HW 4387 4.113 1.201 2.438 + 1397SOL OW 4388 4.279 2.965 0.279 + 1397SOL HW 4389 4.330 2.881 0.287 + 1397SOL HW 4390 4.184 2.937 0.279 + 1398SOL OW 4391 0.805 4.069 1.309 + 1398SOL HW 4392 0.865 3.994 1.331 + 1398SOL HW 4393 0.726 4.055 1.367 + 1399SOL OW 4394 1.643 2.380 4.981 + 1399SOL HW 4395 1.633 2.348 4.888 + 1399SOL HW 4396 1.605 2.472 4.981 + 1400SOL OW 4397 2.871 1.304 0.329 + 1400SOL HW 4398 2.947 1.357 0.365 + 1400SOL HW 4399 2.869 1.223 0.385 + 1401SOL OW 4400 5.772 2.671 5.187 + 1401SOL HW 4401 5.822 2.614 5.124 + 1401SOL HW 4402 5.767 2.617 5.270 + 1402SOL OW 4403 4.986 5.208 0.229 + 1402SOL HW 4404 4.925 5.286 0.230 + 1402SOL HW 4405 5.074 5.244 0.254 + 1403SOL OW 4406 2.820 5.343 4.466 + 1403SOL HW 4407 2.768 5.264 4.437 + 1403SOL HW 4408 2.891 5.306 4.524 + 1404SOL OW 4409 5.569 2.222 0.978 + 1404SOL HW 4410 5.624 2.191 1.055 + 1404SOL HW 4411 5.553 2.318 0.996 + 1405SOL OW 4412 4.580 3.007 1.366 + 1405SOL HW 4413 4.541 2.947 1.434 + 1405SOL HW 4414 4.567 3.098 1.403 + 1406SOL OW 4415 4.006 3.244 2.944 + 1406SOL HW 4416 4.060 3.170 2.981 + 1406SOL HW 4417 3.983 3.214 2.852 + 1407SOL OW 4418 1.833 3.237 1.669 + 1407SOL HW 4419 1.793 3.328 1.666 + 1407SOL HW 4420 1.755 3.177 1.677 + 1408SOL OW 4421 3.831 3.850 0.542 + 1408SOL HW 4422 3.818 3.920 0.474 + 1408SOL HW 4423 3.902 3.885 0.601 + 1409SOL OW 4424 4.086 3.855 2.998 + 1409SOL HW 4425 4.026 3.777 3.012 + 1409SOL HW 4426 4.105 3.854 2.900 + 1410SOL OW 4427 1.166 0.173 1.330 + 1410SOL HW 4428 1.109 0.254 1.340 + 1410SOL HW 4429 1.243 0.203 1.276 + 1411SOL OW 4430 1.340 3.929 5.550 + 1411SOL HW 4431 1.411 3.977 5.600 + 1411SOL HW 4432 1.280 3.894 5.620 + 1412SOL OW 4433 2.879 3.454 1.651 + 1412SOL HW 4434 2.910 3.360 1.657 + 1412SOL HW 4435 2.960 3.509 1.664 + 1413SOL OW 4436 2.683 2.967 5.790 + 1413SOL HW 4437 2.628 2.932 5.864 + 1413SOL HW 4438 2.646 2.924 5.709 + 1414SOL OW 4439 3.494 3.418 5.375 + 1414SOL HW 4440 3.508 3.456 5.465 + 1414SOL HW 4441 3.585 3.414 5.336 + 1415SOL OW 4442 1.314 4.899 0.447 + 1415SOL HW 4443 1.269 4.833 0.506 + 1415SOL HW 4444 1.333 4.976 0.507 + 1416SOL OW 4445 4.029 0.859 3.906 + 1416SOL HW 4446 4.038 0.762 3.920 + 1416SOL HW 4447 3.969 0.889 3.979 + 1417SOL OW 4448 0.584 4.716 5.011 + 1417SOL HW 4449 0.553 4.646 5.074 + 1417SOL HW 4450 0.576 4.800 5.063 + 1418SOL OW 4451 4.080 0.670 2.172 + 1418SOL HW 4452 4.010 0.621 2.122 + 1418SOL HW 4453 4.141 0.600 2.206 + 1419SOL OW 4454 0.426 3.968 2.175 + 1419SOL HW 4455 0.334 3.973 2.139 + 1419SOL HW 4456 0.424 3.893 2.239 + 1420SOL OW 4457 2.260 5.921 0.684 + 1420SOL HW 4458 2.184 5.930 0.746 + 1420SOL HW 4459 2.340 5.939 0.739 + 1421SOL OW 4460 1.191 5.656 0.600 + 1421SOL HW 4461 1.096 5.675 0.620 + 1421SOL HW 4462 1.238 5.741 0.618 + 1422SOL OW 4463 3.905 3.429 3.875 + 1422SOL HW 4464 3.903 3.421 3.776 + 1422SOL HW 4465 3.855 3.349 3.907 + 1423SOL OW 4466 2.032 4.643 4.164 + 1423SOL HW 4467 1.945 4.596 4.171 + 1423SOL HW 4468 2.096 4.572 4.136 + 1424SOL OW 4469 3.866 3.021 2.943 + 1424SOL HW 4470 3.806 2.963 2.997 + 1424SOL HW 4471 3.940 2.961 2.915 + 1425SOL OW 4472 4.604 3.938 2.665 + 1425SOL HW 4473 4.632 3.851 2.702 + 1425SOL HW 4474 4.531 3.969 2.724 + 1426SOL OW 4475 2.106 5.022 3.718 + 1426SOL HW 4476 2.054 4.960 3.775 + 1426SOL HW 4477 2.049 5.103 3.710 + 1427SOL OW 4478 0.309 4.270 2.282 + 1427SOL HW 4479 0.376 4.198 2.297 + 1427SOL HW 4480 0.244 4.231 2.218 + 1428SOL OW 4481 3.674 1.427 2.344 + 1428SOL HW 4482 3.591 1.476 2.320 + 1428SOL HW 4483 3.743 1.464 2.284 + 1429SOL OW 4484 0.344 1.582 4.951 + 1429SOL HW 4485 0.436 1.566 4.919 + 1429SOL HW 4486 0.324 1.505 5.009 + 1430SOL OW 4487 5.750 5.908 4.681 + 1430SOL HW 4488 5.662 5.927 4.723 + 1430SOL HW 4489 5.744 5.813 4.654 + 1431SOL OW 4490 5.383 5.289 0.487 + 1431SOL HW 4491 5.426 5.365 0.442 + 1431SOL HW 4492 5.318 5.330 0.550 + 1432SOL OW 4493 0.309 3.527 5.528 + 1432SOL HW 4494 0.283 3.435 5.556 + 1432SOL HW 4495 0.224 3.569 5.498 + 1433SOL OW 4496 0.917 1.477 3.242 + 1433SOL HW 4497 0.939 1.572 3.225 + 1433SOL HW 4498 0.975 1.452 3.318 + 1434SOL OW 4499 3.002 1.281 5.247 + 1434SOL HW 4500 3.064 1.245 5.179 + 1434SOL HW 4501 3.060 1.327 5.312 + 1435SOL OW 4502 4.078 4.269 0.425 + 1435SOL HW 4503 4.095 4.224 0.512 + 1435SOL HW 4504 4.074 4.196 0.359 + 1436SOL OW 4505 5.106 4.710 3.158 + 1436SOL HW 4506 5.024 4.660 3.185 + 1436SOL HW 4507 5.180 4.650 3.183 + 1437SOL OW 4508 4.575 5.017 1.255 + 1437SOL HW 4509 4.527 5.033 1.340 + 1437SOL HW 4510 4.607 4.923 1.262 + 1438SOL OW 4511 0.601 5.586 3.041 + 1438SOL HW 4512 0.693 5.622 3.045 + 1438SOL HW 4513 0.613 5.489 3.025 + 1439SOL OW 4514 3.812 0.867 1.589 + 1439SOL HW 4515 3.805 0.951 1.641 + 1439SOL HW 4516 3.718 0.841 1.571 + 1440SOL OW 4517 3.736 0.719 5.962 + 1440SOL HW 4518 3.703 0.626 5.950 + 1440SOL HW 4519 3.783 0.740 5.878 + 1441SOL OW 4520 0.729 1.744 4.217 + 1441SOL HW 4521 0.710 1.705 4.128 + 1441SOL HW 4522 0.799 1.812 4.200 + 1442SOL OW 4523 0.795 4.962 4.063 + 1442SOL HW 4524 0.844 4.998 4.141 + 1442SOL HW 4525 0.701 4.956 4.094 + 1443SOL OW 4526 3.382 4.606 1.265 + 1443SOL HW 4527 3.473 4.576 1.291 + 1443SOL HW 4528 3.325 4.527 1.285 + 1444SOL OW 4529 0.375 1.576 5.352 + 1444SOL HW 4530 0.357 1.523 5.434 + 1444SOL HW 4531 0.377 1.510 5.279 + 1445SOL OW 4532 1.702 1.771 4.546 + 1445SOL HW 4533 1.721 1.851 4.601 + 1445SOL HW 4534 1.654 1.806 4.466 + 1446SOL OW 4535 0.336 0.295 3.699 + 1446SOL HW 4536 0.300 0.387 3.702 + 1446SOL HW 4537 0.278 0.244 3.761 + 1447SOL OW 4538 3.111 1.012 1.036 + 1447SOL HW 4539 3.087 1.102 1.069 + 1447SOL HW 4540 3.086 0.951 1.110 + 1448SOL OW 4541 2.444 2.796 4.015 + 1448SOL HW 4542 2.390 2.787 4.097 + 1448SOL HW 4543 2.536 2.814 4.047 + 1449SOL OW 4544 3.679 3.890 0.184 + 1449SOL HW 4545 3.582 3.907 0.175 + 1449SOL HW 4546 3.701 3.829 0.110 + 1450SOL OW 4547 2.451 4.294 4.443 + 1450SOL HW 4548 2.406 4.280 4.530 + 1450SOL HW 4549 2.463 4.203 4.406 + 1451SOL OW 4550 3.368 1.916 4.544 + 1451SOL HW 4551 3.466 1.915 4.528 + 1451SOL HW 4552 3.360 1.943 4.639 + 1452SOL OW 4553 5.717 2.645 4.348 + 1452SOL HW 4554 5.629 2.689 4.343 + 1452SOL HW 4555 5.712 2.572 4.282 + 1453SOL OW 4556 5.072 3.623 3.369 + 1453SOL HW 4557 5.147 3.560 3.357 + 1453SOL HW 4558 5.051 3.655 3.278 + 1454SOL OW 4559 5.248 5.451 0.213 + 1454SOL HW 4560 5.336 5.495 0.225 + 1454SOL HW 4561 5.182 5.525 0.216 + 1455SOL OW 4562 2.517 5.915 0.540 + 1455SOL HW 4563 2.542 5.861 0.460 + 1455SOL HW 4564 2.583 5.888 0.609 + 1456SOL OW 4565 1.856 1.007 0.844 + 1456SOL HW 4566 1.880 0.926 0.792 + 1456SOL HW 4567 1.762 0.992 0.870 + 1457SOL OW 4568 0.860 4.265 2.614 + 1457SOL HW 4569 0.817 4.213 2.541 + 1457SOL HW 4570 0.932 4.316 2.568 + 1458SOL OW 4571 4.002 0.629 5.595 + 1458SOL HW 4572 4.088 0.646 5.640 + 1458SOL HW 4573 3.936 0.625 5.669 + 1459SOL OW 4574 5.090 0.515 1.765 + 1459SOL HW 4575 5.114 0.611 1.757 + 1459SOL HW 4576 5.060 0.489 1.674 + 1460SOL OW 4577 1.810 3.056 4.314 + 1460SOL HW 4578 1.774 2.964 4.314 + 1460SOL HW 4579 1.908 3.045 4.314 + 1461SOL OW 4580 3.448 5.510 4.855 + 1461SOL HW 4581 3.416 5.562 4.778 + 1461SOL HW 4582 3.531 5.467 4.823 + 1462SOL OW 4583 0.275 1.690 2.949 + 1462SOL HW 4584 0.240 1.692 3.041 + 1462SOL HW 4585 0.267 1.596 2.920 + 1463SOL OW 4586 4.563 0.999 1.862 + 1463SOL HW 4587 4.648 0.948 1.866 + 1463SOL HW 4588 4.582 1.083 1.911 + 1464SOL OW 4589 1.610 4.801 0.358 + 1464SOL HW 4590 1.569 4.862 0.424 + 1464SOL HW 4591 1.535 4.772 0.301 + 1465SOL OW 4592 5.852 4.012 2.192 + 1465SOL HW 4593 5.909 4.075 2.242 + 1465SOL HW 4594 5.900 3.926 2.197 + 1466SOL OW 4595 2.002 5.811 5.773 + 1466SOL HW 4596 2.094 5.788 5.745 + 1466SOL HW 4597 1.979 5.891 5.719 + 1467SOL OW 4598 1.124 1.127 1.718 + 1467SOL HW 4599 1.146 1.033 1.697 + 1467SOL HW 4600 1.043 1.121 1.774 + 1468SOL OW 4601 0.565 5.117 5.750 + 1468SOL HW 4602 0.641 5.126 5.813 + 1468SOL HW 4603 0.493 5.173 5.789 + 1469SOL OW 4604 1.984 1.379 4.496 + 1469SOL HW 4605 2.038 1.296 4.496 + 1469SOL HW 4606 2.051 1.452 4.494 + 1470SOL OW 4607 4.711 0.026 1.000 + 1470SOL HW 4608 4.675 0.053 1.089 + 1470SOL HW 4609 4.639 0.049 0.936 + 1471SOL OW 4610 5.872 5.063 3.226 + 1471SOL HW 4611 5.970 5.074 3.216 + 1471SOL HW 4612 5.860 5.033 3.320 + 1472SOL OW 4613 3.315 5.317 1.041 + 1472SOL HW 4614 3.261 5.267 0.974 + 1472SOL HW 4615 3.392 5.258 1.060 + 1473SOL OW 4616 1.098 1.993 4.129 + 1473SOL HW 4617 1.053 1.975 4.043 + 1473SOL HW 4618 1.024 2.018 4.191 + 1474SOL OW 4619 5.413 5.302 3.234 + 1474SOL HW 4620 5.456 5.392 3.234 + 1474SOL HW 4621 5.316 5.321 3.234 + 1475SOL OW 4622 1.000 3.058 5.233 + 1475SOL HW 4623 1.046 3.146 5.231 + 1475SOL HW 4624 1.074 2.992 5.234 + 1476SOL OW 4625 5.307 5.075 5.596 + 1476SOL HW 4626 5.208 5.075 5.594 + 1476SOL HW 4627 5.330 5.061 5.692 + 1477SOL OW 4628 3.808 4.696 5.599 + 1477SOL HW 4629 3.807 4.785 5.556 + 1477SOL HW 4630 3.821 4.632 5.525 + 1478SOL OW 4631 2.795 1.334 1.213 + 1478SOL HW 4632 2.863 1.287 1.268 + 1478SOL HW 4633 2.798 1.427 1.245 + 1479SOL OW 4634 3.179 5.492 5.239 + 1479SOL HW 4635 3.198 5.412 5.295 + 1479SOL HW 4636 3.253 5.493 5.173 + 1480SOL OW 4637 2.252 3.517 2.036 + 1480SOL HW 4638 2.285 3.610 2.033 + 1480SOL HW 4639 2.333 3.462 2.054 + 1481SOL OW 4640 4.897 4.724 5.351 + 1481SOL HW 4641 4.930 4.631 5.346 + 1481SOL HW 4642 4.852 4.740 5.264 + 1482SOL OW 4643 4.233 2.327 2.972 + 1482SOL HW 4644 4.173 2.361 3.043 + 1482SOL HW 4645 4.239 2.401 2.907 + 1483SOL OW 4646 4.562 5.512 2.791 + 1483SOL HW 4647 4.581 5.542 2.699 + 1483SOL HW 4648 4.602 5.421 2.796 + 1484SOL OW 4649 2.161 5.351 2.635 + 1484SOL HW 4650 2.112 5.434 2.612 + 1484SOL HW 4651 2.254 5.382 2.652 + 1485SOL OW 4652 4.562 5.708 3.765 + 1485SOL HW 4653 4.520 5.619 3.774 + 1485SOL HW 4654 4.487 5.767 3.737 + 1486SOL OW 4655 4.408 3.570 2.148 + 1486SOL HW 4656 4.319 3.548 2.109 + 1486SOL HW 4657 4.464 3.593 2.070 + 1487SOL OW 4658 5.104 1.710 5.726 + 1487SOL HW 4659 5.053 1.631 5.696 + 1487SOL HW 4660 5.105 1.770 5.647 + 1488SOL OW 4661 4.387 5.395 4.750 + 1488SOL HW 4662 4.377 5.308 4.796 + 1488SOL HW 4663 4.484 5.401 4.729 + 1489SOL OW 4664 5.130 1.887 3.877 + 1489SOL HW 4665 5.098 1.793 3.874 + 1489SOL HW 4666 5.207 1.888 3.815 + 1490SOL OW 4667 5.034 5.011 4.885 + 1490SOL HW 4668 5.112 5.068 4.866 + 1490SOL HW 4669 5.031 5.005 4.984 + 1491SOL OW 4670 5.514 4.384 4.652 + 1491SOL HW 4671 5.572 4.370 4.573 + 1491SOL HW 4672 5.422 4.372 4.617 + 1492SOL OW 4673 1.794 1.544 3.987 + 1492SOL HW 4674 1.794 1.636 4.022 + 1492SOL HW 4675 1.713 1.503 4.027 + 1493SOL OW 4676 2.587 0.113 4.271 + 1493SOL HW 4677 2.491 0.094 4.254 + 1493SOL HW 4678 2.587 0.185 4.339 + 1494SOL OW 4679 1.577 3.255 3.482 + 1494SOL HW 4680 1.603 3.313 3.558 + 1494SOL HW 4681 1.601 3.164 3.512 + 1495SOL OW 4682 3.866 5.005 4.665 + 1495SOL HW 4683 3.900 5.098 4.662 + 1495SOL HW 4684 3.767 5.015 4.662 + 1496SOL OW 4685 5.205 3.198 2.978 + 1496SOL HW 4686 5.286 3.199 2.921 + 1496SOL HW 4687 5.229 3.252 3.057 + 1497SOL OW 4688 1.227 0.960 0.690 + 1497SOL HW 4689 1.195 0.897 0.759 + 1497SOL HW 4690 1.189 1.047 0.716 + 1498SOL OW 4691 3.831 0.337 0.217 + 1498SOL HW 4692 3.742 0.364 0.253 + 1498SOL HW 4693 3.896 0.381 0.277 + 1499SOL OW 4694 1.536 0.909 2.232 + 1499SOL HW 4695 1.599 0.833 2.238 + 1499SOL HW 4696 1.475 0.883 2.157 + 1500SOL OW 4697 1.112 4.417 1.518 + 1500SOL HW 4698 1.119 4.446 1.423 + 1500SOL HW 4699 1.054 4.336 1.515 + 1501SOL OW 4700 3.376 0.154 5.088 + 1501SOL HW 4701 3.415 0.229 5.037 + 1501SOL HW 4702 3.454 0.097 5.111 + 1502SOL OW 4703 2.755 2.713 4.430 + 1502SOL HW 4704 2.703 2.676 4.354 + 1502SOL HW 4705 2.704 2.684 4.510 + 1503SOL OW 4706 2.963 4.370 1.522 + 1503SOL HW 4707 2.973 4.272 1.532 + 1503SOL HW 4708 2.906 4.381 1.442 + 1504SOL OW 4709 0.707 2.963 2.129 + 1504SOL HW 4710 0.745 2.872 2.142 + 1504SOL HW 4711 0.785 3.020 2.107 + 1505SOL OW 4712 4.530 3.877 4.996 + 1505SOL HW 4713 4.477 3.932 4.933 + 1505SOL HW 4714 4.556 3.941 5.068 + 1506SOL OW 4715 5.317 4.881 4.184 + 1506SOL HW 4716 5.277 4.957 4.233 + 1506SOL HW 4717 5.253 4.861 4.112 + 1507SOL OW 4718 3.589 1.637 3.454 + 1507SOL HW 4719 3.647 1.557 3.446 + 1507SOL HW 4720 3.497 1.603 3.442 + 1508SOL OW 4721 3.156 2.511 0.560 + 1508SOL HW 4722 3.159 2.485 0.656 + 1508SOL HW 4723 3.125 2.605 0.561 + 1509SOL OW 4724 2.594 4.930 4.468 + 1509SOL HW 4725 2.669 4.872 4.438 + 1509SOL HW 4726 2.587 4.912 4.566 + 1510SOL OW 4727 5.057 4.889 5.235 + 1510SOL HW 4728 5.058 4.794 5.207 + 1510SOL HW 4729 5.152 4.916 5.232 + 1511SOL OW 4730 4.534 1.306 3.499 + 1511SOL HW 4731 4.575 1.355 3.575 + 1511SOL HW 4732 4.541 1.210 3.524 + 1512SOL OW 4733 4.877 1.448 0.790 + 1512SOL HW 4734 4.900 1.494 0.705 + 1512SOL HW 4735 4.823 1.369 0.762 + 1513SOL OW 4736 3.444 5.218 4.489 + 1513SOL HW 4737 3.455 5.310 4.454 + 1513SOL HW 4738 3.525 5.170 4.459 + 1514SOL OW 4739 4.430 5.821 5.140 + 1514SOL HW 4740 4.397 5.814 5.233 + 1514SOL HW 4741 4.413 5.915 5.114 + 1515SOL OW 4742 3.316 4.733 2.570 + 1515SOL HW 4743 3.360 4.644 2.574 + 1515SOL HW 4744 3.390 4.797 2.562 + 1516SOL OW 4745 3.681 1.895 0.989 + 1516SOL HW 4746 3.693 1.801 1.019 + 1516SOL HW 4747 3.756 1.911 0.927 + 1517SOL OW 4748 3.173 2.191 4.479 + 1517SOL HW 4749 3.251 2.252 4.475 + 1517SOL HW 4750 3.209 2.108 4.520 + 1518SOL OW 4751 1.647 3.193 1.026 + 1518SOL HW 4752 1.674 3.149 0.942 + 1518SOL HW 4753 1.588 3.127 1.071 + 1519SOL OW 4754 2.468 3.257 4.632 + 1519SOL HW 4755 2.523 3.339 4.634 + 1519SOL HW 4756 2.533 3.183 4.625 + 1520SOL OW 4757 0.674 1.929 1.751 + 1520SOL HW 4758 0.591 1.890 1.714 + 1520SOL HW 4759 0.653 1.945 1.847 + 1521SOL OW 4760 1.093 5.581 4.283 + 1521SOL HW 4761 1.132 5.490 4.285 + 1521SOL HW 4762 1.153 5.635 4.340 + 1522SOL OW 4763 3.548 5.862 4.873 + 1522SOL HW 4764 3.554 5.830 4.967 + 1522SOL HW 4765 3.549 5.961 4.880 + 1523SOL OW 4766 2.023 3.580 3.864 + 1523SOL HW 4767 1.931 3.604 3.837 + 1523SOL HW 4768 2.071 3.667 3.868 + 1524SOL OW 4769 1.442 2.760 4.992 + 1524SOL HW 4770 1.463 2.722 5.081 + 1524SOL HW 4771 1.524 2.809 4.966 + 1525SOL OW 4772 1.105 1.809 5.329 + 1525SOL HW 4773 1.015 1.785 5.294 + 1525SOL HW 4774 1.166 1.794 5.252 + 1526SOL OW 4775 4.807 4.277 2.579 + 1526SOL HW 4776 4.754 4.322 2.508 + 1526SOL HW 4777 4.892 4.328 2.582 + 1527SOL OW 4778 3.528 4.813 1.677 + 1527SOL HW 4779 3.518 4.904 1.713 + 1527SOL HW 4780 3.439 4.771 1.688 + 1528SOL OW 4781 3.928 1.041 2.645 + 1528SOL HW 4782 3.869 0.962 2.655 + 1528SOL HW 4783 3.875 1.117 2.680 + 1529SOL OW 4784 1.385 1.812 5.877 + 1529SOL HW 4785 1.295 1.780 5.905 + 1529SOL HW 4786 1.382 1.807 5.778 + 1530SOL OW 4787 1.061 5.081 5.531 + 1530SOL HW 4788 1.073 4.989 5.565 + 1530SOL HW 4789 0.963 5.097 5.535 + 1531SOL OW 4790 4.539 0.279 2.340 + 1531SOL HW 4791 4.625 0.257 2.385 + 1531SOL HW 4792 4.510 0.194 2.299 + 1532SOL OW 4793 5.466 1.116 4.349 + 1532SOL HW 4794 5.482 1.213 4.343 + 1532SOL HW 4795 5.557 1.076 4.348 + 1533SOL OW 4796 5.008 3.891 1.920 + 1533SOL HW 4797 4.964 3.943 1.991 + 1533SOL HW 4798 5.095 3.936 1.906 + 1534SOL OW 4799 1.954 1.571 3.757 + 1534SOL HW 4800 2.051 1.585 3.766 + 1534SOL HW 4801 1.943 1.472 3.756 + 1535SOL OW 4802 3.774 4.213 0.398 + 1535SOL HW 4803 3.719 4.132 0.410 + 1535SOL HW 4804 3.822 4.199 0.312 + 1536SOL OW 4805 2.088 3.903 4.112 + 1536SOL HW 4806 2.119 3.812 4.134 + 1536SOL HW 4807 2.170 3.958 4.115 + 1537SOL OW 4808 5.162 3.874 2.445 + 1537SOL HW 4809 5.161 3.798 2.381 + 1537SOL HW 4810 5.107 3.843 2.521 + 1538SOL OW 4811 0.115 5.086 4.265 + 1538SOL HW 4812 0.076 5.163 4.216 + 1538SOL HW 4813 0.052 5.071 4.340 + 1539SOL OW 4814 0.669 3.142 1.962 + 1539SOL HW 4815 0.633 3.211 1.901 + 1539SOL HW 4816 0.594 3.123 2.024 + 1540SOL OW 4817 3.944 2.378 1.872 + 1540SOL HW 4818 3.985 2.288 1.872 + 1540SOL HW 4819 4.019 2.441 1.883 + 1541SOL OW 4820 0.908 3.769 0.945 + 1541SOL HW 4821 0.892 3.862 0.916 + 1541SOL HW 4822 0.993 3.743 0.901 + 1542SOL OW 4823 1.616 1.210 1.041 + 1542SOL HW 4824 1.676 1.289 1.042 + 1542SOL HW 4825 1.675 1.134 1.021 + 1543SOL OW 4826 0.800 5.839 0.439 + 1543SOL HW 4827 0.890 5.798 0.439 + 1543SOL HW 4828 0.818 5.937 0.440 + 1544SOL OW 4829 2.217 0.861 0.837 + 1544SOL HW 4830 2.261 0.950 0.839 + 1544SOL HW 4831 2.127 0.876 0.873 + 1545SOL OW 4832 4.614 1.927 0.950 + 1545SOL HW 4833 4.584 1.833 0.946 + 1545SOL HW 4834 4.530 1.980 0.952 + 1546SOL OW 4835 3.144 3.160 1.869 + 1546SOL HW 4836 3.232 3.172 1.915 + 1546SOL HW 4837 3.152 3.215 1.787 + 1547SOL OW 4838 5.932 1.196 1.440 + 1547SOL HW 4839 5.880 1.251 1.376 + 1547SOL HW 4840 5.953 1.113 1.390 + 1548SOL OW 4841 3.209 5.447 1.223 + 1548SOL HW 4842 3.118 5.422 1.253 + 1548SOL HW 4843 3.266 5.371 1.250 + 1549SOL OW 4844 5.400 0.040 3.133 + 1549SOL HW 4845 5.388 0.132 3.098 + 1549SOL HW 4846 5.498 0.027 3.136 + 1550SOL OW 4847 2.000 2.974 3.796 + 1550SOL HW 4848 1.935 3.017 3.856 + 1550SOL HW 4849 1.948 2.905 3.748 + 1551SOL OW 4850 4.847 5.895 0.331 + 1551SOL HW 4851 4.941 5.916 0.306 + 1551SOL HW 4852 4.794 5.918 0.250 + 1552SOL OW 4853 1.182 1.012 2.406 + 1552SOL HW 4854 1.198 1.100 2.450 + 1552SOL HW 4855 1.088 1.016 2.377 + 1553SOL OW 4856 4.853 5.567 0.879 + 1553SOL HW 4857 4.931 5.506 0.880 + 1553SOL HW 4858 4.782 5.517 0.833 + 1554SOL OW 4859 5.899 1.340 4.634 + 1554SOL HW 4860 5.896 1.439 4.641 + 1554SOL HW 4861 5.936 1.323 4.543 + 1555SOL OW 4862 5.306 5.155 2.619 + 1555SOL HW 4863 5.215 5.188 2.597 + 1555SOL HW 4864 5.295 5.056 2.626 + 1556SOL OW 4865 1.014 0.865 1.081 + 1556SOL HW 4866 0.956 0.859 1.001 + 1556SOL HW 4867 1.056 0.955 1.074 + 1557SOL OW 4868 0.776 0.856 4.679 + 1557SOL HW 4869 0.789 0.772 4.628 + 1557SOL HW 4870 0.852 0.857 4.743 + 1558SOL OW 4871 5.360 2.780 1.289 + 1558SOL HW 4872 5.382 2.774 1.385 + 1558SOL HW 4873 5.438 2.825 1.248 + 1559SOL OW 4874 2.297 1.916 0.623 + 1559SOL HW 4875 2.323 1.823 0.603 + 1559SOL HW 4876 2.382 1.960 0.650 + 1560SOL OW 4877 5.200 4.509 0.946 + 1560SOL HW 4878 5.218 4.416 0.918 + 1560SOL HW 4879 5.290 4.552 0.945 + 1561SOL OW 4880 5.584 3.052 1.485 + 1561SOL HW 4881 5.539 3.129 1.529 + 1561SOL HW 4882 5.663 3.092 1.441 + 1562SOL OW 4883 3.887 3.463 2.779 + 1562SOL HW 4884 3.980 3.435 2.802 + 1562SOL HW 4885 3.892 3.562 2.773 + 1563SOL OW 4886 4.115 0.403 4.364 + 1563SOL HW 4887 4.035 0.434 4.413 + 1563SOL HW 4888 4.153 0.485 4.324 + 1564SOL OW 4889 2.493 2.005 2.296 + 1564SOL HW 4890 2.541 1.920 2.314 + 1564SOL HW 4891 2.470 2.000 2.200 + 1565SOL OW 4892 3.979 0.993 5.893 + 1565SOL HW 4893 3.926 1.006 5.975 + 1565SOL HW 4894 4.025 1.079 5.879 + 1566SOL OW 4895 5.821 5.956 1.989 + 1566SOL HW 4896 5.855 5.863 1.989 + 1566SOL HW 4897 5.883 6.005 2.049 + 1567SOL OW 4898 2.694 5.759 1.956 + 1567SOL HW 4899 2.706 5.694 1.882 + 1567SOL HW 4900 2.596 5.770 1.964 + 1568SOL OW 4901 5.614 3.041 0.727 + 1568SOL HW 4902 5.594 3.098 0.806 + 1568SOL HW 4903 5.710 3.018 0.737 + 1569SOL OW 4904 3.472 3.613 1.025 + 1569SOL HW 4905 3.482 3.651 1.116 + 1569SOL HW 4906 3.389 3.558 1.030 + 1570SOL OW 4907 3.606 1.051 4.833 + 1570SOL HW 4908 3.549 1.127 4.805 + 1570SOL HW 4909 3.572 1.028 4.924 + 1571SOL OW 4910 1.140 0.500 5.891 + 1571SOL HW 4911 1.051 0.520 5.931 + 1571SOL HW 4912 1.200 0.491 5.969 + 1572SOL OW 4913 4.943 5.297 2.251 + 1572SOL HW 4914 4.868 5.233 2.258 + 1572SOL HW 4915 4.916 5.360 2.180 + 1573SOL OW 4916 0.953 4.706 2.544 + 1573SOL HW 4917 0.960 4.765 2.465 + 1573SOL HW 4918 0.885 4.749 2.601 + 1574SOL OW 4919 4.761 3.073 5.118 + 1574SOL HW 4920 4.854 3.043 5.105 + 1574SOL HW 4921 4.766 3.172 5.121 + 1575SOL OW 4922 1.994 5.052 5.249 + 1575SOL HW 4923 2.002 4.958 5.279 + 1575SOL HW 4924 2.086 5.088 5.253 + 1576SOL OW 4925 4.109 5.961 3.892 + 1576SOL HW 4926 4.185 6.011 3.855 + 1576SOL HW 4927 4.128 5.866 3.868 + 1577SOL OW 4928 4.588 2.287 2.815 + 1577SOL HW 4929 4.626 2.273 2.906 + 1577SOL HW 4930 4.665 2.275 2.754 + 1578SOL OW 4931 2.227 2.035 4.415 + 1578SOL HW 4932 2.262 2.126 4.430 + 1578SOL HW 4933 2.305 1.975 4.432 + 1579SOL OW 4934 0.180 5.107 1.349 + 1579SOL HW 4935 0.260 5.165 1.349 + 1579SOL HW 4936 0.217 5.015 1.349 + 1580SOL OW 4937 4.534 0.368 1.300 + 1580SOL HW 4938 4.457 0.304 1.303 + 1580SOL HW 4939 4.534 0.411 1.389 + 1581SOL OW 4940 3.617 4.133 4.452 + 1581SOL HW 4941 3.566 4.065 4.401 + 1581SOL HW 4942 3.712 4.104 4.443 + 1582SOL OW 4943 2.107 1.560 4.725 + 1582SOL HW 4944 2.132 1.465 4.738 + 1582SOL HW 4945 2.194 1.609 4.723 + 1583SOL OW 4946 0.754 2.972 2.376 + 1583SOL HW 4947 0.819 3.045 2.361 + 1583SOL HW 4948 0.810 2.894 2.400 + 1584SOL OW 4949 2.460 4.333 2.252 + 1584SOL HW 4950 2.377 4.279 2.250 + 1584SOL HW 4951 2.430 4.424 2.281 + 1585SOL OW 4952 1.949 3.052 4.581 + 1585SOL HW 4953 2.014 3.010 4.519 + 1585SOL HW 4954 1.919 2.977 4.639 + 1586SOL OW 4955 2.401 5.147 5.402 + 1586SOL HW 4956 2.489 5.114 5.434 + 1586SOL HW 4957 2.407 5.141 5.303 + 1587SOL OW 4958 5.245 0.777 5.373 + 1587SOL HW 4959 5.307 0.721 5.426 + 1587SOL HW 4960 5.160 0.726 5.372 + 1588SOL OW 4961 5.886 3.188 3.354 + 1588SOL HW 4962 5.974 3.232 3.364 + 1588SOL HW 4963 5.905 3.091 3.362 + 1589SOL OW 4964 0.858 5.901 2.859 + 1589SOL HW 4965 0.765 5.904 2.824 + 1589SOL HW 4966 0.880 5.995 2.878 + 1590SOL OW 4967 4.663 4.859 2.556 + 1590SOL HW 4968 4.753 4.844 2.594 + 1590SOL HW 4969 4.669 4.946 2.511 + 1591SOL OW 4970 0.904 4.560 2.102 + 1591SOL HW 4971 0.814 4.594 2.079 + 1591SOL HW 4972 0.950 4.638 2.142 + 1592SOL OW 4973 5.711 0.094 3.155 + 1592SOL HW 4974 5.762 0.023 3.109 + 1592SOL HW 4975 5.766 0.176 3.144 + 1593SOL OW 4976 0.917 0.425 4.786 + 1593SOL HW 4977 0.989 0.421 4.853 + 1593SOL HW 4978 0.852 0.356 4.815 + 1594SOL OW 4979 5.361 1.283 3.458 + 1594SOL HW 4980 5.262 1.282 3.452 + 1594SOL HW 4981 5.387 1.188 3.454 + 1595SOL OW 4982 2.261 4.768 1.631 + 1595SOL HW 4983 2.253 4.817 1.717 + 1595SOL HW 4984 2.275 4.674 1.658 + 1596SOL OW 4985 1.625 1.312 5.948 + 1596SOL HW 4986 1.708 1.364 5.933 + 1596SOL HW 4987 1.656 1.222 5.976 + 1597SOL OW 4988 5.516 0.136 5.453 + 1597SOL HW 4989 5.485 0.073 5.523 + 1597SOL HW 4990 5.574 0.082 5.395 + 1598SOL OW 4991 3.917 5.699 0.262 + 1598SOL HW 4992 3.940 5.795 0.265 + 1598SOL HW 4993 3.818 5.697 0.259 + 1599SOL OW 4994 5.243 1.604 0.974 + 1599SOL HW 4995 5.276 1.558 0.893 + 1599SOL HW 4996 5.232 1.533 1.041 + 1600SOL OW 4997 1.185 3.006 1.438 + 1600SOL 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4.453 2.110 2.185 + 1665SOL HW 5193 4.366 2.068 2.209 + 1665SOL HW 5194 4.429 2.201 2.154 + 1666SOL OW 5195 0.897 4.004 1.106 + 1666SOL HW 5196 0.948 4.086 1.083 + 1666SOL HW 5197 0.965 3.933 1.112 + 1667SOL OW 5198 3.414 3.502 4.693 + 1667SOL HW 5199 3.346 3.431 4.684 + 1667SOL HW 5200 3.492 3.470 4.641 + 1668SOL OW 5201 1.929 3.384 5.124 + 1668SOL HW 5202 1.900 3.478 5.130 + 1668SOL HW 5203 1.845 3.332 5.121 + 1669SOL OW 5204 2.387 1.448 5.468 + 1669SOL HW 5205 2.485 1.464 5.469 + 1669SOL HW 5206 2.348 1.533 5.499 + 1670SOL OW 5207 2.608 5.220 0.452 + 1670SOL HW 5208 2.609 5.318 0.465 + 1670SOL HW 5209 2.694 5.188 0.489 + 1671SOL OW 5210 3.278 5.924 0.834 + 1671SOL HW 5211 3.303 5.912 0.739 + 1671SOL HW 5212 3.344 5.989 0.870 + 1672SOL OW 5213 1.382 0.612 0.605 + 1672SOL HW 5214 1.469 0.577 0.573 + 1672SOL HW 5215 1.318 0.536 0.592 + 1673SOL OW 5216 0.500 3.676 1.494 + 1673SOL HW 5217 0.531 3.763 1.456 + 1673SOL HW 5218 0.403 3.674 1.474 + 1674SOL OW 5219 4.699 0.482 1.772 + 1674SOL HW 5220 4.660 0.499 1.682 + 1674SOL HW 5221 4.639 0.413 1.811 + 1675SOL OW 5222 3.704 4.521 0.209 + 1675SOL HW 5223 3.801 4.542 0.210 + 1675SOL HW 5224 3.660 4.610 0.212 + 1676SOL OW 5225 2.381 0.475 2.149 + 1676SOL HW 5226 2.460 0.418 2.137 + 1676SOL HW 5227 2.414 0.553 2.201 + 1677SOL OW 5228 2.415 3.076 1.251 + 1677SOL HW 5229 2.352 3.033 1.188 + 1677SOL HW 5230 2.434 3.164 1.212 + 1678SOL OW 5231 4.815 4.218 2.036 + 1678SOL HW 5232 4.914 4.216 2.037 + 1678SOL HW 5233 4.792 4.314 2.035 + 1679SOL OW 5234 4.399 5.110 4.514 + 1679SOL HW 5235 4.491 5.132 4.545 + 1679SOL HW 5236 4.366 5.195 4.475 + 1680SOL OW 5237 1.482 5.290 0.095 + 1680SOL HW 5238 1.446 5.365 0.042 + 1680SOL HW 5239 1.509 5.223 0.028 + 1681SOL OW 5240 1.433 3.897 3.179 + 1681SOL HW 5241 1.363 3.953 3.220 + 1681SOL HW 5242 1.422 3.911 3.081 + 1682SOL OW 5243 0.850 0.445 0.324 + 1682SOL HW 5244 0.875 0.505 0.399 + 1682SOL HW 5245 0.758 0.472 0.299 + 1683SOL OW 5246 2.270 2.965 4.151 + 1683SOL HW 5247 2.172 2.960 4.162 + 1683SOL HW 5248 2.287 3.057 4.119 + 1684SOL OW 5249 2.742 3.623 0.362 + 1684SOL HW 5250 2.797 3.628 0.444 + 1684SOL HW 5251 2.659 3.672 0.385 + 1685SOL OW 5252 1.961 0.946 1.197 + 1685SOL HW 5253 2.019 0.986 1.127 + 1685SOL HW 5254 1.939 1.022 1.258 + 1686SOL OW 5255 1.886 4.602 3.661 + 1686SOL HW 5256 1.848 4.557 3.581 + 1686SOL HW 5257 1.907 4.694 3.629 + 1687SOL OW 5258 2.512 1.312 1.317 + 1687SOL HW 5259 2.603 1.338 1.344 + 1687SOL HW 5260 2.524 1.224 1.273 + 1688SOL OW 5261 2.547 5.495 4.131 + 1688SOL HW 5262 2.588 5.583 4.113 + 1688SOL HW 5263 2.451 5.515 4.144 + 1689SOL OW 5264 3.046 0.723 4.207 + 1689SOL HW 5265 2.951 0.750 4.201 + 1689SOL HW 5266 3.044 0.637 4.257 + 1690SOL OW 5267 1.928 0.519 5.398 + 1690SOL HW 5268 1.947 0.423 5.407 + 1690SOL HW 5269 2.016 0.563 5.401 + 1691SOL OW 5270 4.310 3.111 3.978 + 1691SOL HW 5271 4.284 3.204 3.957 + 1691SOL HW 5272 4.241 3.080 4.043 + 1692SOL OW 5273 5.153 1.809 2.343 + 1692SOL HW 5274 5.139 1.761 2.258 + 1692SOL HW 5275 5.183 1.900 2.315 + 1693SOL OW 5276 4.813 2.279 4.068 + 1693SOL HW 5277 4.793 2.371 4.097 + 1693SOL HW 5278 4.731 2.249 4.021 + 1694SOL OW 5279 2.478 5.268 0.988 + 1694SOL HW 5280 2.543 5.314 0.929 + 1694SOL HW 5281 2.390 5.302 0.958 + 1695SOL OW 5282 5.633 5.769 1.001 + 1695SOL HW 5283 5.673 5.730 0.919 + 1695SOL HW 5284 5.701 5.752 1.071 + 1696SOL OW 5285 4.581 5.571 3.216 + 1696SOL HW 5286 4.532 5.487 3.197 + 1696SOL HW 5287 4.676 5.549 3.195 + 1697SOL OW 5288 4.512 3.377 2.322 + 1697SOL HW 5289 4.500 3.476 2.325 + 1697SOL HW 5290 4.607 3.365 2.297 + 1698SOL OW 5291 3.165 5.238 3.479 + 1698SOL HW 5292 3.141 5.334 3.490 + 1698SOL HW 5293 3.078 5.191 3.482 + 1699SOL OW 5294 1.951 2.067 3.123 + 1699SOL HW 5295 1.964 2.130 3.198 + 1699SOL HW 5296 1.994 1.983 3.153 + 1700SOL OW 5297 2.953 4.105 0.186 + 1700SOL HW 5298 2.862 4.071 0.206 + 1700SOL HW 5299 3.010 4.066 0.257 + 1701SOL OW 5300 0.208 5.797 5.478 + 1701SOL HW 5301 0.226 5.853 5.398 + 1701SOL HW 5302 0.169 5.714 5.441 + 1702SOL OW 5303 0.144 2.260 1.524 + 1702SOL HW 5304 0.074 2.324 1.553 + 1702SOL HW 5305 0.100 2.207 1.453 + 1703SOL OW 5306 4.256 0.098 1.978 + 1703SOL HW 5307 4.329 0.077 1.914 + 1703SOL HW 5308 4.195 0.157 1.927 + 1704SOL OW 5309 2.039 0.073 5.786 + 1704SOL HW 5310 2.089 0.037 5.708 + 1704SOL HW 5311 2.098 0.053 5.864 + 1705SOL OW 5312 2.657 1.286 0.434 + 1705SOL HW 5313 2.575 1.317 0.388 + 1705SOL HW 5314 2.697 1.368 0.473 + 1706SOL OW 5315 3.020 4.416 0.027 + 1706SOL HW 5316 2.922 4.405 0.022 + 1706SOL HW 5317 3.057 4.330 -0.005 + 1707SOL OW 5318 4.813 1.526 3.347 + 1707SOL HW 5319 4.771 1.608 3.382 + 1707SOL HW 5320 4.910 1.546 3.348 + 1708SOL OW 5321 2.996 5.807 2.032 + 1708SOL HW 5322 3.029 5.767 2.116 + 1708SOL HW 5323 3.055 5.771 1.962 + 1709SOL OW 5324 4.856 4.265 2.295 + 1709SOL HW 5325 4.911 4.340 2.261 + 1709SOL HW 5326 4.914 4.185 2.284 + 1710SOL OW 5327 2.904 5.424 0.120 + 1710SOL HW 5328 2.899 5.348 0.183 + 1710SOL HW 5329 2.885 5.384 0.032 + 1711SOL OW 5330 4.880 1.361 4.064 + 1711SOL HW 5331 4.966 1.409 4.053 + 1711SOL HW 5332 4.897 1.272 4.026 + 1712SOL OW 5333 4.044 4.984 5.534 + 1712SOL HW 5334 3.946 4.970 5.528 + 1712SOL HW 5335 4.083 4.893 5.520 + 1713SOL OW 5336 1.784 2.007 2.202 + 1713SOL HW 5337 1.729 2.085 2.177 + 1713SOL HW 5338 1.719 1.934 2.219 + 1714SOL OW 5339 5.753 4.658 4.489 + 1714SOL HW 5340 5.792 4.658 4.398 + 1714SOL HW 5341 5.739 4.563 4.510 + 1715SOL OW 5342 1.669 4.281 5.313 + 1715SOL HW 5343 1.616 4.352 5.358 + 1715SOL HW 5344 1.624 4.196 5.338 + 1716SOL OW 5345 1.125 4.498 3.275 + 1716SOL HW 5346 1.121 4.525 3.370 + 1716SOL HW 5347 1.030 4.492 3.246 + 1717SOL OW 5348 1.062 2.862 3.243 + 1717SOL HW 5349 1.136 2.837 3.182 + 1717SOL HW 5350 0.989 2.798 3.220 + 1718SOL OW 5351 5.491 0.221 5.108 + 1718SOL HW 5352 5.405 0.260 5.079 + 1718SOL HW 5353 5.475 0.123 5.108 + 1719SOL OW 5354 3.533 4.597 4.263 + 1719SOL HW 5355 3.454 4.626 4.315 + 1719SOL HW 5356 3.577 4.529 4.321 + 1720SOL OW 5357 4.442 0.852 1.741 + 1720SOL HW 5358 4.384 0.772 1.751 + 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3.487 + 1730SOL OW 5387 2.910 1.053 0.549 + 1730SOL HW 5388 2.962 0.994 0.610 + 1730SOL HW 5389 2.830 1.000 0.526 + 1731SOL OW 5390 5.872 2.366 1.224 + 1731SOL HW 5391 5.895 2.451 1.179 + 1731SOL HW 5392 5.874 2.388 1.321 + 1732SOL OW 5393 3.426 5.808 4.063 + 1732SOL HW 5394 3.344 5.862 4.079 + 1732SOL HW 5395 3.501 5.871 4.080 + 1733SOL OW 5396 1.676 5.893 4.731 + 1733SOL HW 5397 1.611 5.914 4.803 + 1733SOL HW 5398 1.683 5.794 4.732 + 1734SOL OW 5399 3.988 4.894 1.796 + 1734SOL HW 5400 3.936 4.952 1.734 + 1734SOL HW 5401 4.018 4.955 1.868 + 1735SOL OW 5402 1.895 3.952 2.025 + 1735SOL HW 5403 1.903 3.995 1.936 + 1735SOL HW 5404 1.983 3.968 2.068 + 1736SOL OW 5405 3.433 5.791 0.056 + 1736SOL HW 5406 3.510 5.735 0.028 + 1736SOL HW 5407 3.393 5.741 0.132 + 1737SOL OW 5408 5.584 4.229 3.981 + 1737SOL HW 5409 5.643 4.309 3.987 + 1737SOL HW 5410 5.640 4.156 4.017 + 1738SOL OW 5411 0.710 5.946 3.700 + 1738SOL HW 5412 0.760 5.871 3.741 + 1738SOL HW 5413 0.709 6.016 3.770 + 1739SOL OW 5414 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1757SOL HW 5470 2.893 2.258 4.669 + 1758SOL OW 5471 0.138 3.651 1.964 + 1758SOL HW 5472 0.110 3.743 1.989 + 1758SOL HW 5473 0.236 3.656 1.955 + 1759SOL OW 5474 4.259 3.630 5.490 + 1759SOL HW 5475 4.222 3.650 5.579 + 1759SOL HW 5476 4.199 3.678 5.427 + 1760SOL OW 5477 2.274 2.950 4.631 + 1760SOL HW 5478 2.192 2.900 4.652 + 1760SOL HW 5479 2.245 3.018 4.565 + 1761SOL OW 5480 4.363 4.357 4.755 + 1761SOL HW 5481 4.353 4.259 4.744 + 1761SOL HW 5482 4.316 4.395 4.677 + 1762SOL OW 5483 2.412 0.761 1.735 + 1762SOL HW 5484 2.356 0.684 1.762 + 1762SOL HW 5485 2.369 0.839 1.778 + 1763SOL OW 5486 1.355 2.345 5.618 + 1763SOL HW 5487 1.355 2.443 5.608 + 1763SOL HW 5488 1.435 2.314 5.570 + 1764SOL OW 5489 1.344 1.768 3.719 + 1764SOL HW 5490 1.414 1.805 3.660 + 1764SOL HW 5491 1.351 1.821 3.803 + 1765SOL OW 5492 3.612 1.773 5.300 + 1765SOL HW 5493 3.672 1.694 5.302 + 1765SOL HW 5494 3.673 1.851 5.301 + 1766SOL OW 5495 2.868 5.543 3.677 + 1766SOL HW 5496 2.813 5.617 3.641 + 1766SOL HW 5497 2.819 5.512 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1794SOL HW 5581 2.461 5.217 1.260 + 1795SOL OW 5582 0.996 4.806 1.074 + 1795SOL HW 5583 1.071 4.855 1.033 + 1795SOL HW 5584 0.970 4.739 1.006 + 1796SOL OW 5585 3.580 4.194 0.133 + 1796SOL HW 5586 3.497 4.224 0.090 + 1796SOL HW 5587 3.615 4.275 0.179 + 1797SOL OW 5588 4.047 1.427 0.318 + 1797SOL HW 5589 4.082 1.517 0.341 + 1797SOL HW 5590 4.126 1.367 0.323 + 1798SOL OW 5591 3.145 5.327 3.267 + 1798SOL HW 5592 3.123 5.376 3.183 + 1798SOL HW 5593 3.227 5.275 3.244 + 1799SOL OW 5594 2.328 2.365 4.393 + 1799SOL HW 5595 2.321 2.377 4.491 + 1799SOL HW 5596 2.422 2.388 4.371 + 1800SOL OW 5597 0.563 0.938 0.183 + 1800SOL HW 5598 0.629 1.011 0.192 + 1800SOL HW 5599 0.616 0.855 0.197 + 1801SOL OW 5600 2.913 3.032 5.405 + 1801SOL HW 5601 2.947 3.081 5.484 + 1801SOL HW 5602 2.827 3.077 5.383 + 1802SOL OW 5603 5.381 3.792 1.407 + 1802SOL HW 5604 5.449 3.847 1.360 + 1802SOL HW 5605 5.342 3.852 1.475 + 1803SOL OW 5606 4.923 5.394 1.716 + 1803SOL HW 5607 4.917 5.297 1.699 + 1803SOL HW 5608 4.949 5.434 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HW 5664 2.628 4.051 1.332 + 1822SOL HW 5665 2.761 4.133 1.341 + 1823SOL OW 5666 1.225 2.378 3.052 + 1823SOL HW 5667 1.281 2.402 2.974 + 1823SOL HW 5668 1.132 2.388 3.020 + 1824SOL OW 5669 3.328 0.945 1.886 + 1824SOL HW 5670 3.243 0.899 1.908 + 1824SOL HW 5671 3.396 0.873 1.885 + 1825SOL OW 5672 0.137 5.259 5.704 + 1825SOL HW 5673 0.156 5.355 5.715 + 1825SOL HW 5674 0.225 5.214 5.720 + 1826SOL OW 5675 3.064 0.603 1.794 + 1826SOL HW 5676 3.051 0.531 1.729 + 1826SOL HW 5677 2.973 0.628 1.824 + 1827SOL OW 5678 3.324 0.500 5.328 + 1827SOL HW 5679 3.300 0.465 5.239 + 1827SOL HW 5680 3.238 0.527 5.369 + 1828SOL OW 5681 5.526 2.963 2.555 + 1828SOL HW 5682 5.524 2.885 2.494 + 1828SOL HW 5683 5.545 2.925 2.644 + 1829SOL OW 5684 5.243 3.189 4.784 + 1829SOL HW 5685 5.205 3.249 4.852 + 1829SOL HW 5686 5.191 3.208 4.702 + 1830SOL OW 5687 0.632 2.579 3.316 + 1830SOL HW 5688 0.676 2.540 3.396 + 1830SOL HW 5689 0.699 2.572 3.244 + 1831SOL OW 5690 4.394 5.831 2.681 + 1831SOL HW 5691 4.366 5.749 2.729 + 1831SOL HW 5692 4.412 5.896 2.753 + 1832SOL OW 5693 2.860 4.756 0.171 + 1832SOL HW 5694 2.786 4.730 0.231 + 1832SOL HW 5695 2.895 4.840 0.210 + 1833SOL OW 5696 5.676 1.657 5.497 + 1833SOL HW 5697 5.579 1.636 5.501 + 1833SOL HW 5698 5.717 1.598 5.565 + 1834SOL OW 5699 4.083 3.414 2.452 + 1834SOL HW 5700 4.069 3.418 2.550 + 1834SOL HW 5701 3.991 3.415 2.414 + 1835SOL OW 5702 0.389 4.808 1.318 + 1835SOL HW 5703 0.471 4.758 1.342 + 1835SOL HW 5704 0.408 4.901 1.347 + 1836SOL OW 5705 2.952 1.943 1.744 + 1836SOL HW 5706 2.967 1.881 1.820 + 1836SOL HW 5707 2.932 1.885 1.667 + 1837SOL OW 5708 4.298 2.288 1.223 + 1837SOL HW 5709 4.393 2.263 1.236 + 1837SOL HW 5710 4.274 2.336 1.306 + 1838SOL OW 5711 3.443 2.733 5.542 + 1838SOL HW 5712 3.369 2.667 5.545 + 1838SOL HW 5713 3.426 2.786 5.460 + 1839SOL OW 5714 0.695 4.847 3.394 + 1839SOL HW 5715 0.713 4.798 3.309 + 1839SOL HW 5716 0.692 4.777 3.463 + 1840SOL OW 5717 4.962 3.304 2.324 + 1840SOL HW 5718 4.878 3.257 2.347 + 1840SOL HW 5719 4.944 3.399 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HW 5775 0.803 5.982 4.963 + 1859SOL HW 5776 0.897 5.857 4.963 + 1860SOL OW 5777 0.650 4.513 0.630 + 1860SOL HW 5778 0.718 4.584 0.645 + 1860SOL HW 5779 0.576 4.559 0.584 + 1861SOL OW 5780 1.353 1.105 0.889 + 1861SOL HW 5781 1.336 1.008 0.898 + 1861SOL HW 5782 1.414 1.127 0.964 + 1862SOL OW 5783 0.912 3.809 2.174 + 1862SOL HW 5784 0.833 3.862 2.199 + 1862SOL HW 5785 0.876 3.722 2.145 + 1863SOL OW 5786 3.196 2.990 0.228 + 1863SOL HW 5787 3.293 2.974 0.224 + 1863SOL HW 5788 3.187 3.085 0.253 + 1864SOL OW 5789 2.556 2.589 2.263 + 1864SOL HW 5790 2.620 2.663 2.280 + 1864SOL HW 5791 2.523 2.563 2.353 + 1865SOL OW 5792 4.176 3.384 1.079 + 1865SOL HW 5793 4.216 3.435 1.005 + 1865SOL HW 5794 4.118 3.317 1.035 + 1866SOL OW 5795 4.558 2.950 2.981 + 1866SOL HW 5796 4.654 2.932 2.990 + 1866SOL HW 5797 4.548 3.046 3.002 + 1867SOL OW 5798 3.564 5.590 3.716 + 1867SOL HW 5799 3.651 5.636 3.712 + 1867SOL HW 5800 3.497 5.663 3.719 + 1868SOL OW 5801 3.828 2.357 3.987 + 1868SOL HW 5802 3.749 2.379 3.933 + 1868SOL HW 5803 3.856 2.443 4.027 + 1869SOL OW 5804 1.146 5.091 4.629 + 1869SOL HW 5805 1.154 5.145 4.547 + 1869SOL HW 5806 1.078 5.022 4.607 + 1870SOL OW 5807 0.386 5.581 2.802 + 1870SOL HW 5808 0.291 5.597 2.826 + 1870SOL HW 5809 0.401 5.486 2.824 + 1871SOL OW 5810 1.782 2.303 2.152 + 1871SOL HW 5811 1.847 2.270 2.086 + 1871SOL HW 5812 1.751 2.390 2.115 + 1872SOL OW 5813 3.355 2.624 1.658 + 1872SOL HW 5814 3.439 2.575 1.675 + 1872SOL HW 5815 3.297 2.559 1.612 + 1873SOL OW 5816 1.549 4.799 3.438 + 1873SOL HW 5817 1.530 4.704 3.456 + 1873SOL HW 5818 1.648 4.805 3.437 + 1874SOL OW 5819 0.028 4.104 1.038 + 1874SOL HW 5820 -0.001 4.032 0.976 + 1874SOL HW 5821 0.121 4.125 1.009 + 1875SOL OW 5822 1.652 2.215 5.140 + 1875SOL HW 5823 1.579 2.162 5.180 + 1875SOL HW 5824 1.693 2.262 5.217 + 1876SOL OW 5825 2.315 3.074 0.255 + 1876SOL HW 5826 2.306 3.172 0.260 + 1876SOL HW 5827 2.228 3.042 0.220 + 1877SOL OW 5828 1.637 1.547 3.768 + 1877SOL HW 5829 1.658 1.452 3.786 + 1877SOL HW 5830 1.555 1.564 3.821 + 1878SOL OW 5831 4.873 1.504 2.769 + 1878SOL HW 5832 4.896 1.569 2.698 + 1878SOL HW 5833 4.797 1.452 2.732 + 1879SOL OW 5834 0.153 2.050 0.120 + 1879SOL HW 5835 0.211 2.130 0.127 + 1879SOL HW 5836 0.062 2.083 0.139 + 1880SOL OW 5837 1.316 2.966 3.470 + 1880SOL HW 5838 1.339 3.059 3.494 + 1880SOL HW 5839 1.341 2.957 3.374 + 1881SOL OW 5840 1.168 1.670 1.757 + 1881SOL HW 5841 1.140 1.749 1.810 + 1881SOL HW 5842 1.083 1.624 1.734 + 1882SOL OW 5843 3.970 4.378 3.927 + 1882SOL HW 5844 3.914 4.347 4.002 + 1882SOL HW 5845 4.061 4.346 3.950 + 1883SOL OW 5846 4.765 5.366 1.954 + 1883SOL HW 5847 4.810 5.447 1.989 + 1883SOL HW 5848 4.685 5.356 2.011 + 1884SOL OW 5849 3.921 2.372 0.560 + 1884SOL HW 5850 3.966 2.311 0.496 + 1884SOL HW 5851 3.873 2.311 0.622 + 1885SOL OW 5852 3.371 0.085 0.695 + 1885SOL HW 5853 3.418 0.133 0.769 + 1885SOL HW 5854 3.405 0.127 0.613 + 1886SOL OW 5855 4.933 4.399 4.835 + 1886SOL HW 5856 4.942 4.301 4.836 + 1886SOL HW 5857 5.024 4.433 4.854 + 1887SOL OW 5858 1.798 2.831 0.124 + 1887SOL HW 5859 1.780 2.734 0.135 + 1887SOL HW 5860 1.789 2.847 0.027 + 1888SOL OW 5861 2.375 1.814 0.249 + 1888SOL HW 5862 2.472 1.831 0.263 + 1888SOL HW 5863 2.369 1.781 0.156 + 1889SOL OW 5864 0.952 4.469 1.221 + 1889SOL HW 5865 0.868 4.513 1.251 + 1889SOL HW 5866 1.023 4.535 1.244 + 1890SOL OW 5867 5.065 1.196 2.572 + 1890SOL HW 5868 5.157 1.230 2.557 + 1890SOL HW 5869 5.007 1.276 2.564 + 1891SOL OW 5870 5.645 2.758 1.461 + 1891SOL HW 5871 5.727 2.722 1.419 + 1891SOL HW 5872 5.638 2.711 1.548 + 1892SOL OW 5873 3.779 0.256 2.603 + 1892SOL HW 5874 3.791 0.280 2.508 + 1892SOL HW 5875 3.793 0.158 2.607 + 1893SOL OW 5876 5.670 4.470 2.299 + 1893SOL HW 5877 5.752 4.480 2.354 + 1893SOL HW 5878 5.602 4.522 2.347 + 1894SOL OW 5879 4.995 4.166 3.192 + 1894SOL HW 5880 4.981 4.069 3.207 + 1894SOL HW 5881 4.991 4.177 3.094 + 1895SOL OW 5882 1.842 3.855 5.160 + 1895SOL HW 5883 1.892 3.780 5.201 + 1895SOL HW 5884 1.848 3.928 5.226 + 1896SOL OW 5885 2.061 4.361 5.495 + 1896SOL HW 5886 2.056 4.377 5.397 + 1896SOL HW 5887 1.971 4.328 5.519 + 1897SOL OW 5888 2.872 4.313 0.808 + 1897SOL HW 5889 2.951 4.368 0.830 + 1897SOL HW 5890 2.798 4.378 0.796 + 1898SOL OW 5891 0.578 0.972 5.470 + 1898SOL HW 5892 0.508 0.985 5.402 + 1898SOL HW 5893 0.623 0.888 5.443 + 1899SOL OW 5894 3.878 0.305 5.894 + 1899SOL HW 5895 3.883 0.370 5.820 + 1899SOL HW 5896 3.861 0.360 5.975 + 1900SOL OW 5897 0.913 1.251 2.970 + 1900SOL HW 5898 0.864 1.255 3.056 + 1900SOL HW 5899 0.983 1.182 2.984 + 1901SOL OW 5900 4.110 5.554 1.855 + 1901SOL HW 5901 4.188 5.495 1.841 + 1901SOL HW 5902 4.148 5.637 1.892 + 1902SOL OW 5903 4.119 4.102 4.066 + 1902SOL HW 5904 4.182 4.174 4.092 + 1902SOL HW 5905 4.174 4.040 4.012 + 1903SOL OW 5906 0.809 3.103 0.966 + 1903SOL HW 5907 0.811 3.014 0.924 + 1903SOL HW 5908 0.877 3.099 1.037 + 1904SOL OW 5909 2.375 1.813 5.492 + 1904SOL HW 5910 2.323 1.882 5.540 + 1904SOL HW 5911 2.306 1.753 5.454 + 1905SOL OW 5912 3.651 2.984 1.809 + 1905SOL HW 5913 3.563 2.998 1.767 + 1905SOL HW 5914 3.659 2.886 1.818 + 1906SOL OW 5915 3.992 5.192 3.114 + 1906SOL HW 5916 3.969 5.102 3.148 + 1906SOL HW 5917 3.908 5.244 3.125 + 1907SOL OW 5918 0.783 4.533 2.408 + 1907SOL HW 5919 0.833 4.449 2.405 + 1907SOL HW 5920 0.783 4.565 2.314 + 1908SOL OW 5921 1.653 4.512 4.720 + 1908SOL HW 5922 1.565 4.466 4.722 + 1908SOL HW 5923 1.719 4.438 4.717 + 1909SOL OW 5924 3.701 1.448 4.232 + 1909SOL HW 5925 3.750 1.534 4.231 + 1909SOL HW 5926 3.605 1.474 4.232 + 1910SOL OW 5927 2.933 4.376 5.929 + 1910SOL HW 5928 2.968 4.284 5.939 + 1910SOL HW 5929 3.012 4.429 5.901 + 1911SOL OW 5930 0.037 5.275 5.375 + 1911SOL HW 5931 0.117 5.233 5.334 + 1911SOL HW 5932 -0.011 5.200 5.418 + 1912SOL OW 5933 3.649 3.200 4.617 + 1912SOL HW 5934 3.648 3.297 4.633 + 1912SOL HW 5935 3.554 3.173 4.621 + 1913SOL OW 5936 0.544 5.009 1.688 + 1913SOL HW 5937 0.542 4.919 1.730 + 1913SOL HW 5938 0.637 5.020 1.656 + 1914SOL OW 5939 4.021 5.493 4.444 + 1914SOL HW 5940 4.115 5.485 4.415 + 1914SOL HW 5941 4.003 5.410 4.496 + 1915SOL OW 5942 2.642 5.079 1.784 + 1915SOL HW 5943 2.703 5.157 1.780 + 1915SOL HW 5944 2.634 5.048 1.691 + 1916SOL OW 5945 4.146 2.107 1.977 + 1916SOL HW 5946 4.218 2.039 1.983 + 1916SOL HW 5947 4.179 2.173 1.911 + 1917SOL OW 5948 1.285 0.433 2.825 + 1917SOL HW 5949 1.290 0.526 2.792 + 1917SOL HW 5950 1.326 0.437 2.915 + 1918SOL OW 5951 0.507 0.024 3.899 + 1918SOL HW 5952 0.603 0.045 3.900 + 1918SOL HW 5953 0.467 0.081 3.969 + 1919SOL OW 5954 1.473 1.185 4.198 + 1919SOL HW 5955 1.400 1.201 4.264 + 1919SOL HW 5956 1.539 1.256 4.215 + 1920SOL OW 5957 2.158 0.606 3.142 + 1920SOL HW 5958 2.148 0.554 3.058 + 1920SOL HW 5959 2.256 0.608 3.158 + 1921SOL OW 5960 0.087 3.167 -0.004 + 1921SOL HW 5961 0.180 3.140 0.012 + 1921SOL HW 5962 0.039 3.082 -0.022 + 1922SOL OW 5963 0.197 1.104 1.504 + 1922SOL HW 5964 0.250 1.081 1.423 + 1922SOL HW 5965 0.265 1.123 1.574 + 1923SOL OW 5966 1.747 0.885 0.069 + 1923SOL HW 5967 1.828 0.830 0.082 + 1923SOL HW 5968 1.675 0.819 0.049 + 1924SOL OW 5969 0.616 1.998 0.923 + 1924SOL HW 5970 0.616 2.090 0.961 + 1924SOL HW 5971 0.530 1.959 0.950 + 1925SOL OW 5972 5.610 5.578 3.145 + 1925SOL HW 5973 5.594 5.663 3.194 + 1925SOL HW 5974 5.550 5.583 3.067 + 1926SOL OW 5975 4.182 5.804 1.283 + 1926SOL HW 5976 4.232 5.784 1.200 + 1926SOL HW 5977 4.155 5.899 1.274 + 1927SOL OW 5978 5.120 4.643 2.121 + 1927SOL HW 5979 5.173 4.725 2.139 + 1927SOL HW 5980 5.102 4.645 2.024 + 1928SOL OW 5981 5.657 0.879 3.342 + 1928SOL HW 5982 5.579 0.926 3.305 + 1928SOL HW 5983 5.677 0.808 3.276 + 1929SOL OW 5984 1.005 2.261 5.534 + 1929SOL HW 5985 0.943 2.184 5.528 + 1929SOL HW 5986 1.019 2.290 5.441 + 1930SOL OW 5987 3.532 3.381 0.104 + 1930SOL HW 5988 3.437 3.352 0.097 + 1930SOL HW 5989 3.584 3.298 0.092 + 1931SOL OW 5990 4.050 3.214 4.249 + 1931SOL HW 5991 4.048 3.141 4.182 + 1931SOL HW 5992 4.127 3.192 4.308 + 1932SOL OW 5993 3.930 3.917 1.120 + 1932SOL HW 5994 4.020 3.894 1.085 + 1932SOL HW 5995 3.877 3.834 1.108 + 1933SOL OW 5996 3.696 0.916 0.349 + 1933SOL HW 5997 3.607 0.874 0.360 + 1933SOL HW 5998 3.759 0.854 0.393 + 1934SOL OW 5999 2.310 1.873 5.804 + 1934SOL HW 6000 2.380 1.919 5.751 + 1934SOL HW 6001 2.228 1.927 5.789 + 1935SOL OW 6002 3.236 5.612 4.532 + 1935SOL HW 6003 3.178 5.649 4.461 + 1935SOL HW 6004 3.327 5.642 4.508 + 1936SOL OW 6005 1.472 1.981 2.884 + 1936SOL HW 6006 1.422 2.034 2.817 + 1936SOL HW 6007 1.429 1.892 2.883 + 1937SOL OW 6008 0.594 4.313 0.007 + 1937SOL HW 6009 0.518 4.375 -0.006 + 1937SOL HW 6010 0.579 4.274 0.097 + 1938SOL OW 6011 4.729 4.401 1.203 + 1938SOL HW 6012 4.811 4.354 1.173 + 1938SOL HW 6013 4.680 4.419 1.119 + 1939SOL OW 6014 5.119 0.170 5.306 + 1939SOL HW 6015 5.137 0.078 5.275 + 1939SOL HW 6016 5.079 0.215 5.227 + 1940SOL OW 6017 0.610 1.826 5.030 + 1940SOL HW 6018 0.691 1.820 4.975 + 1940SOL HW 6019 0.643 1.854 5.119 + 1941SOL OW 6020 4.980 0.426 2.330 + 1941SOL HW 6021 4.898 0.469 2.296 + 1941SOL HW 6022 5.033 0.499 2.370 + 1942SOL OW 6023 2.879 5.863 1.363 + 1942SOL HW 6024 2.832 5.938 1.406 + 1942SOL HW 6025 2.965 5.901 1.333 + 1943SOL OW 6026 0.787 3.507 4.839 + 1943SOL HW 6027 0.694 3.530 4.860 + 1943SOL HW 6028 0.785 3.479 4.744 + 1944SOL OW 6029 3.073 0.444 0.996 + 1944SOL HW 6030 3.138 0.467 1.067 + 1944SOL HW 6031 3.129 0.416 0.919 + 1945SOL OW 6032 5.338 4.763 0.401 + 1945SOL HW 6033 5.424 4.716 0.413 + 1945SOL HW 6034 5.270 4.691 0.403 + 1946SOL OW 6035 4.639 3.333 1.945 + 1946SOL HW 6036 4.718 3.282 1.914 + 1946SOL HW 6037 4.621 3.298 2.036 + 1947SOL OW 6038 3.395 0.768 4.185 + 1947SOL HW 6039 3.356 0.710 4.115 + 1947SOL HW 6040 3.323 0.776 4.253 + 1948SOL OW 6041 -0.013 5.851 1.908 + 1948SOL HW 6042 0.017 5.937 1.868 + 1948SOL HW 6043 0.060 5.787 1.887 + 1949SOL OW 6044 4.361 4.091 5.372 + 1949SOL HW 6045 4.335 4.151 5.298 + 1949SOL HW 6046 4.347 4.145 5.454 + 1950SOL OW 6047 3.060 2.968 0.050 + 1950SOL HW 6048 3.098 3.032 -0.015 + 1950SOL HW 6049 3.032 2.890 -0.005 + 1951SOL OW 6050 4.085 0.808 0.593 + 1951SOL HW 6051 4.138 0.813 0.676 + 1951SOL HW 6052 4.112 0.721 0.553 + 1952SOL OW 6053 3.717 2.785 5.020 + 1952SOL HW 6054 3.740 2.692 4.997 + 1952SOL HW 6055 3.802 2.834 5.013 + 1953SOL OW 6056 4.876 0.366 1.399 + 1953SOL HW 6057 4.820 0.443 1.370 + 1953SOL HW 6058 4.815 0.288 1.396 + 1954SOL OW 6059 1.376 2.291 4.960 + 1954SOL HW 6060 1.387 2.385 4.929 + 1954SOL HW 6061 1.403 2.294 5.055 + 1955SOL OW 6062 4.304 4.534 5.946 + 1955SOL HW 6063 4.331 4.586 5.866 + 1955SOL HW 6064 4.205 4.540 5.948 + 1956SOL OW 6065 0.950 1.215 4.612 + 1956SOL HW 6066 0.869 1.205 4.667 + 1956SOL HW 6067 0.971 1.312 4.616 + 1957SOL OW 6068 0.958 5.394 0.237 + 1957SOL HW 6069 0.914 5.327 0.178 + 1957SOL HW 6070 0.982 5.468 0.176 + 1958SOL OW 6071 0.629 2.804 4.950 + 1958SOL HW 6072 0.664 2.896 4.933 + 1958SOL HW 6073 0.578 2.782 4.868 + 1959SOL OW 6074 0.127 2.065 5.679 + 1959SOL HW 6075 0.220 2.087 5.653 + 1959SOL HW 6076 0.123 2.086 5.775 + 1960SOL OW 6077 2.772 0.845 1.476 + 1960SOL HW 6078 2.678 0.859 1.446 + 1960SOL HW 6079 2.763 0.806 1.567 + 1961SOL OW 6080 5.678 4.929 2.254 + 1961SOL HW 6081 5.597 4.874 2.255 + 1961SOL HW 6082 5.645 5.022 2.252 + 1962SOL OW 6083 4.058 5.248 0.930 + 1962SOL HW 6084 4.142 5.293 0.902 + 1962SOL HW 6085 4.037 5.286 1.019 + 1963SOL OW 6086 5.811 0.958 0.447 + 1963SOL HW 6087 5.732 0.920 0.401 + 1963SOL HW 6088 5.779 1.043 0.485 + 1964SOL OW 6089 2.120 4.731 2.956 + 1964SOL HW 6090 2.101 4.700 3.048 + 1964SOL HW 6091 2.076 4.664 2.898 + 1965SOL OW 6092 2.794 2.750 1.165 + 1965SOL HW 6093 2.849 2.821 1.206 + 1965SOL HW 6094 2.855 2.671 1.159 + 1966SOL OW 6095 4.508 1.638 3.220 + 1966SOL HW 6096 4.587 1.584 3.244 + 1966SOL HW 6097 4.538 1.696 3.146 + 1967SOL OW 6098 3.435 4.052 0.511 + 1967SOL HW 6099 3.398 3.961 0.496 + 1967SOL HW 6100 3.378 4.110 0.454 + 1968SOL OW 6101 2.517 1.199 0.998 + 1968SOL HW 6102 2.478 1.149 0.922 + 1968SOL HW 6103 2.439 1.243 1.041 + 1969SOL OW 6104 5.705 0.072 4.869 + 1969SOL HW 6105 5.787 0.021 4.891 + 1969SOL HW 6106 5.737 0.150 4.817 + 1970SOL OW 6107 5.807 3.478 3.272 + 1970SOL HW 6108 5.843 3.397 3.228 + 1970SOL HW 6109 5.744 3.443 3.341 + 1971SOL OW 6110 4.459 1.651 0.469 + 1971SOL HW 6111 4.449 1.556 0.443 + 1971SOL HW 6112 4.368 1.679 0.496 + 1972SOL OW 6113 1.542 1.162 4.723 + 1972SOL HW 6114 1.479 1.150 4.648 + 1972SOL HW 6115 1.584 1.073 4.734 + 1973SOL OW 6116 2.424 1.557 3.430 + 1973SOL HW 6117 2.422 1.648 3.469 + 1973SOL HW 6118 2.334 1.520 3.447 + 1974SOL OW 6119 1.360 0.395 1.489 + 1974SOL HW 6120 1.336 0.303 1.518 + 1974SOL HW 6121 1.453 0.407 1.520 + 1975SOL OW 6122 4.086 0.263 1.020 + 1975SOL HW 6123 4.122 0.256 0.928 + 1975SOL HW 6124 3.992 0.291 1.007 + 1976SOL OW 6125 4.074 5.389 2.918 + 1976SOL HW 6126 4.125 5.315 2.877 + 1976SOL HW 6127 3.986 5.387 2.873 + 1977SOL OW 6128 2.060 3.661 0.106 + 1977SOL HW 6129 2.023 3.580 0.149 + 1977SOL HW 6130 1.983 3.722 0.097 + 1978SOL OW 6131 4.481 1.583 5.674 + 1978SOL HW 6132 4.390 1.547 5.692 + 1978SOL HW 6133 4.471 1.634 5.590 + 1979SOL OW 6134 3.128 1.574 5.309 + 1979SOL HW 6135 3.146 1.671 5.311 + 1979SOL HW 6136 3.158 1.545 5.219 + 1980SOL OW 6137 5.632 1.089 0.869 + 1980SOL HW 6138 5.723 1.103 0.834 + 1980SOL HW 6139 5.642 1.094 0.968 + 1981SOL OW 6140 0.045 0.499 2.697 + 1981SOL HW 6141 -0.004 0.570 2.746 + 1981SOL HW 6142 -0.021 0.426 2.688 + 1982SOL OW 6143 0.242 0.474 4.545 + 1982SOL HW 6144 0.150 0.479 4.509 + 1982SOL HW 6145 0.250 0.381 4.579 + 1983SOL OW 6146 0.865 2.796 5.324 + 1983SOL HW 6147 0.795 2.856 5.286 + 1983SOL HW 6148 0.854 2.711 5.274 + 1984SOL OW 6149 1.620 3.702 2.267 + 1984SOL HW 6150 1.709 3.745 2.271 + 1984SOL HW 6151 1.613 3.651 2.352 + 1985SOL OW 6152 -0.021 0.611 0.462 + 1985SOL HW 6153 -0.021 0.517 0.432 + 1985SOL HW 6154 0.066 0.622 0.508 + 1986SOL OW 6155 4.194 0.360 5.926 + 1986SOL HW 6156 4.155 0.435 5.977 + 1986SOL HW 6157 4.116 0.306 5.898 + 1987SOL OW 6158 3.459 1.820 3.631 + 1987SOL HW 6159 3.529 1.890 3.621 + 1987SOL HW 6160 3.510 1.736 3.641 + 1988SOL OW 6161 2.080 3.794 5.442 + 1988SOL HW 6162 2.057 3.880 5.398 + 1988SOL HW 6163 1.994 3.745 5.447 + 1989SOL OW 6164 5.098 5.722 0.815 + 1989SOL HW 6165 5.118 5.792 0.748 + 1989SOL HW 6166 5.135 5.639 0.776 + 1990SOL OW 6167 2.045 4.041 3.356 + 1990SOL HW 6168 2.026 3.944 3.351 + 1990SOL HW 6169 2.060 4.058 3.452 + 1991SOL OW 6170 3.821 5.250 4.997 + 1991SOL HW 6171 3.804 5.324 4.934 + 1991SOL HW 6172 3.735 5.202 5.002 + 1992SOL OW 6173 2.147 5.362 0.651 + 1992SOL HW 6174 2.139 5.454 0.687 + 1992SOL HW 6175 2.087 5.361 0.572 + 1993SOL OW 6176 5.290 3.046 0.733 + 1993SOL HW 6177 5.329 2.996 0.808 + 1993SOL HW 6178 5.213 2.991 0.704 + 1994SOL OW 6179 4.826 2.102 1.193 + 1994SOL HW 6180 4.898 2.165 1.168 + 1994SOL HW 6181 4.873 2.030 1.243 + 1995SOL OW 6182 2.986 5.421 4.047 + 1995SOL HW 6183 3.028 5.445 4.134 + 1995SOL HW 6184 3.056 5.441 3.980 + 1996SOL OW 6185 1.554 4.756 1.558 + 1996SOL HW 6186 1.471 4.727 1.511 + 1996SOL HW 6187 1.605 4.672 1.571 + 1997SOL OW 6188 5.401 0.145 4.121 + 1997SOL HW 6189 5.460 0.209 4.168 + 1997SOL HW 6190 5.446 0.057 4.131 + 1998SOL OW 6191 0.564 3.977 1.151 + 1998SOL HW 6192 0.476 3.967 1.107 + 1998SOL HW 6193 0.543 4.020 1.238 + 1999SOL OW 6194 0.169 2.770 3.556 + 1999SOL HW 6195 0.230 2.846 3.577 + 1999SOL HW 6196 0.176 2.759 3.458 + 2000SOL OW 6197 4.448 1.036 5.113 + 2000SOL HW 6198 4.373 1.089 5.076 + 2000SOL HW 6199 4.407 0.950 5.139 + 2001SOL OW 6200 0.986 2.650 4.931 + 2001SOL HW 6201 0.988 2.554 4.905 + 2001SOL HW 6202 1.031 2.652 5.019 + 2002SOL OW 6203 2.089 3.280 5.433 + 2002SOL HW 6204 2.002 3.316 5.466 + 2002SOL HW 6205 2.096 3.315 5.340 + 2003SOL OW 6206 4.262 3.230 2.270 + 2003SOL HW 6207 4.277 3.135 2.294 + 2003SOL HW 6208 4.166 3.245 2.290 + 2004SOL OW 6209 2.101 3.422 3.477 + 2004SOL HW 6210 2.137 3.330 3.490 + 2004SOL HW 6211 2.181 3.480 3.479 + 2005SOL OW 6212 0.817 5.009 1.215 + 2005SOL HW 6213 0.748 4.993 1.145 + 2005SOL HW 6214 0.833 5.106 1.211 + 2006SOL OW 6215 3.254 3.839 0.943 + 2006SOL HW 6216 3.347 3.869 0.928 + 2006SOL HW 6217 3.220 3.896 1.016 + 2007SOL OW 6218 4.618 0.170 1.571 + 2007SOL HW 6219 4.555 0.246 1.573 + 2007SOL HW 6220 4.560 0.089 1.572 + 2008SOL OW 6221 5.041 3.336 5.074 + 2008SOL HW 6222 5.041 3.359 4.978 + 2008SOL HW 6223 4.946 3.321 5.096 + 2009SOL OW 6224 4.374 2.488 3.477 + 2009SOL HW 6225 4.281 2.493 3.512 + 2009SOL HW 6226 4.405 2.583 3.475 + 2010SOL OW 6227 3.253 4.118 0.809 + 2010SOL HW 6228 3.295 4.165 0.886 + 2010SOL HW 6229 3.244 4.188 0.739 + 2011SOL OW 6230 0.708 5.335 0.520 + 2011SOL HW 6231 0.708 5.248 0.568 + 2011SOL HW 6232 0.692 5.402 0.591 + 2012SOL OW 6233 0.134 4.166 4.095 + 2012SOL HW 6234 0.184 4.242 4.054 + 2012SOL HW 6235 0.101 4.202 4.181 + 2013SOL OW 6236 4.382 5.178 2.999 + 2013SOL HW 6237 4.299 5.138 3.037 + 2013SOL HW 6238 4.432 5.209 3.078 + 2014SOL OW 6239 2.665 4.610 5.183 + 2014SOL HW 6240 2.746 4.667 5.181 + 2014SOL HW 6241 2.699 4.517 5.182 + 2015SOL OW 6242 5.559 4.335 0.753 + 2015SOL HW 6243 5.462 4.339 0.771 + 2015SOL HW 6244 5.586 4.430 0.744 + 2016SOL OW 6245 5.953 0.573 5.783 + 2016SOL HW 6246 5.913 0.662 5.800 + 2016SOL HW 6247 5.882 0.522 5.736 + 2017SOL OW 6248 0.846 4.289 5.261 + 2017SOL HW 6249 0.790 4.209 5.248 + 2017SOL HW 6250 0.908 4.289 5.184 + 2018SOL OW 6251 3.132 1.862 3.271 + 2018SOL HW 6252 3.182 1.779 3.292 + 2018SOL HW 6253 3.037 1.838 3.285 + 2019SOL OW 6254 4.755 3.924 2.979 + 2019SOL HW 6255 4.816 3.944 2.904 + 2019SOL HW 6256 4.761 3.826 2.991 + 2020SOL OW 6257 2.482 5.669 3.927 + 2020SOL HW 6258 2.437 5.690 3.841 + 2020SOL HW 6259 2.427 5.715 3.995 + 2021SOL OW 6260 5.377 4.016 3.076 + 2021SOL HW 6261 5.279 4.013 3.064 + 2021SOL HW 6262 5.407 3.924 3.056 + 2022SOL OW 6263 5.323 0.564 2.537 + 2022SOL HW 6264 5.343 0.657 2.510 + 2022SOL HW 6265 5.321 0.513 2.452 + 2023SOL OW 6266 5.041 3.626 4.505 + 2023SOL HW 6267 5.097 3.590 4.432 + 2023SOL HW 6268 5.106 3.668 4.568 + 2024SOL OW 6269 2.323 0.473 4.243 + 2024SOL HW 6270 2.416 0.456 4.273 + 2024SOL HW 6271 2.275 0.389 4.263 + 2025SOL OW 6272 5.258 3.350 0.070 + 2025SOL HW 6273 5.160 3.337 0.072 + 2025SOL HW 6274 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b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/solvated_peptide.pdb @@ -0,0 +1,13003 @@ +HEADER +TITLE Built with Packmol +REMARK Packmol generated pdb file +REMARK Home-Page: http://m3g.iqm.unicamp.br/packmol +REMARK +ATOM 1 H1 ACE 1 30.453 42.818 28.980 1.00 0.00 +ATOM 2 CH3 ACE 1 30.919 43.085 28.031 1.00 0.00 +ATOM 3 H2 ACE 1 31.663 43.864 28.198 1.00 0.00 +ATOM 4 H3 ACE 1 30.157 43.452 27.343 1.00 0.00 +ATOM 5 C ACE 1 31.590 41.865 27.437 1.00 0.00 +ATOM 6 O ACE 1 31.252 41.428 26.329 1.00 0.00 +ATOM 7 N ALA 2 32.527 41.272 28.094 1.00 0.00 +ATOM 8 H ALA 2 32.869 41.561 29.011 1.00 0.00 +ATOM 9 CA ALA 2 33.181 40.094 27.532 1.00 0.00 +ATOM 10 HA ALA 2 32.548 39.618 26.784 1.00 0.00 +ATOM 11 CB ALA 2 34.485 40.560 26.860 1.00 0.00 +ATOM 12 HB1 ALA 2 35.000 39.702 26.428 1.00 0.00 +ATOM 13 HB2 ALA 2 34.254 41.278 26.073 1.00 0.00 +ATOM 14 HB3 ALA 2 35.128 41.033 27.603 1.00 0.00 +ATOM 15 C ALA 2 33.413 39.045 28.593 1.00 0.00 +ATOM 16 O ALA 2 33.129 37.856 28.413 1.00 0.00 +ATOM 17 N ALA 3 33.923 39.402 29.724 1.00 0.00 +ATOM 18 H ALA 3 34.192 40.354 29.975 1.00 0.00 +ATOM 19 CA ALA 3 34.146 38.389 30.750 1.00 0.00 +ATOM 20 HA ALA 3 34.829 37.618 30.392 1.00 0.00 +ATOM 21 CB ALA 3 34.776 39.087 31.967 1.00 0.00 +ATOM 22 HB1 ALA 3 34.957 38.354 32.754 1.00 0.00 +ATOM 23 HB2 ALA 3 35.721 39.546 31.675 1.00 0.00 +ATOM 24 HB3 ALA 3 34.098 39.856 32.336 1.00 0.00 +ATOM 25 C ALA 3 32.862 37.668 31.088 1.00 0.00 +ATOM 26 O ALA 3 32.802 36.436 31.167 1.00 0.00 +ATOM 27 N GLN 4 31.795 38.362 31.301 1.00 0.00 +ATOM 28 H GLN 4 31.735 39.379 31.262 1.00 0.00 +ATOM 29 CA GLN 4 30.554 37.667 31.627 1.00 0.00 +ATOM 30 HA GLN 4 30.685 37.102 32.551 1.00 0.00 +ATOM 31 CB GLN 4 29.435 38.715 31.817 1.00 0.00 +ATOM 32 HB2 GLN 4 29.755 39.423 32.581 1.00 0.00 +ATOM 33 HB3 GLN 4 29.329 39.276 30.889 1.00 0.00 +ATOM 34 CG GLN 4 28.029 38.160 32.219 1.00 0.00 +ATOM 35 HG2 GLN 4 27.746 37.415 31.476 1.00 0.00 +ATOM 36 HG3 GLN 4 28.142 37.637 33.169 1.00 0.00 +ATOM 37 CD GLN 4 26.855 39.136 32.366 1.00 0.00 +ATOM 38 OE1 GLN 4 25.734 38.736 32.641 1.00 0.00 +ATOM 39 NE2 GLN 4 27.040 40.416 32.171 1.00 0.00 +ATOM 40 HE21 GLN 4 27.969 40.768 31.941 1.00 0.00 +ATOM 41 HE22 GLN 4 26.255 41.063 32.249 1.00 0.00 +ATOM 42 C GLN 4 30.188 36.674 30.550 1.00 0.00 +ATOM 43 O GLN 4 29.847 35.524 30.814 1.00 0.00 +ATOM 44 N ALA 5 30.235 37.045 29.315 1.00 0.00 +ATOM 45 H ALA 5 30.504 37.973 28.988 1.00 0.00 +ATOM 46 CA ALA 5 29.881 36.085 28.273 1.00 0.00 +ATOM 47 HA ALA 5 28.856 35.736 28.398 1.00 0.00 +ATOM 48 CB ALA 5 30.005 36.800 26.917 1.00 0.00 +ATOM 49 HB1 ALA 5 29.747 36.107 26.116 1.00 0.00 +ATOM 50 HB2 ALA 5 29.327 37.653 26.892 1.00 0.00 +ATOM 51 HB3 ALA 5 31.029 37.147 26.781 1.00 0.00 +ATOM 52 C ALA 5 30.743 34.848 28.364 1.00 0.00 +ATOM 53 O ALA 5 30.264 33.709 28.312 1.00 0.00 +ATOM 54 N ALA 6 32.018 34.984 28.499 1.00 0.00 +ATOM 55 H ALA 6 32.515 35.874 28.553 1.00 0.00 +ATOM 56 CA ALA 6 32.851 33.788 28.587 1.00 0.00 +ATOM 57 HA ALA 6 32.750 33.178 27.689 1.00 0.00 +ATOM 58 CB ALA 6 34.314 34.246 28.719 1.00 0.00 +ATOM 59 HB1 ALA 6 34.964 33.374 28.787 1.00 0.00 +ATOM 60 HB2 ALA 6 34.591 34.838 27.846 1.00 0.00 +ATOM 61 HB3 ALA 6 34.426 34.852 29.618 1.00 0.00 +ATOM 62 C ALA 6 32.410 32.903 29.729 1.00 0.00 +ATOM 63 O ALA 6 32.255 31.684 29.591 1.00 0.00 +ATOM 64 N ALA 7 32.187 33.437 30.881 1.00 0.00 +ATOM 65 H ALA 7 32.284 34.428 31.102 1.00 0.00 +ATOM 66 CA ALA 7 31.760 32.582 31.985 1.00 0.00 +ATOM 67 HA ALA 7 32.506 31.816 32.195 1.00 0.00 +ATOM 68 CB ALA 7 31.592 33.473 33.228 1.00 0.00 +ATOM 69 HB1 ALA 7 31.272 32.862 34.072 1.00 0.00 +ATOM 70 HB2 ALA 7 32.544 33.950 33.464 1.00 0.00 +ATOM 71 HB3 ALA 7 30.842 34.238 33.029 1.00 0.00 +ATOM 72 C ALA 7 30.499 31.830 31.630 1.00 0.00 +ATOM 73 O ALA 7 30.378 30.617 31.837 1.00 0.00 +ATOM 74 N ALA 8 29.518 32.474 31.093 1.00 0.00 +ATOM 75 H ALA 8 29.513 33.471 30.879 1.00 0.00 +ATOM 76 CA ALA 8 28.299 31.747 30.750 1.00 0.00 +ATOM 77 HA ALA 8 27.855 31.292 31.636 1.00 0.00 +ATOM 78 CB ALA 8 27.304 32.759 30.156 1.00 0.00 +ATOM 79 HB1 ALA 8 26.380 32.247 29.888 1.00 0.00 +ATOM 80 HB2 ALA 8 27.090 33.534 30.891 1.00 0.00 +ATOM 81 HB3 ALA 8 27.738 33.215 29.266 1.00 0.00 +ATOM 82 C ALA 8 28.599 30.602 29.813 1.00 0.00 +ATOM 83 O ALA 8 28.142 29.468 29.997 1.00 0.00 +ATOM 84 N GLN 9 29.355 30.813 28.789 1.00 0.00 +ATOM 85 H GLN 9 29.782 31.707 28.546 1.00 0.00 +ATOM 86 CA GLN 9 29.645 29.707 27.883 1.00 0.00 +ATOM 87 HA GLN 9 28.715 29.340 27.448 1.00 0.00 +ATOM 88 CB GLN 9 30.574 30.218 26.760 1.00 0.00 +ATOM 89 HB2 GLN 9 30.091 31.066 26.274 1.00 0.00 +ATOM 90 HB3 GLN 9 31.491 30.591 27.216 1.00 0.00 +ATOM 91 CG GLN 9 30.962 29.177 25.658 1.00 0.00 +ATOM 92 HG2 GLN 9 31.395 28.312 26.161 1.00 0.00 +ATOM 93 HG3 GLN 9 30.040 28.842 25.183 1.00 0.00 +ATOM 94 CD GLN 9 31.930 29.594 24.543 1.00 0.00 +ATOM 95 OE1 GLN 9 32.288 28.800 23.689 1.00 0.00 +ATOM 96 NE2 GLN 9 32.409 30.812 24.514 1.00 0.00 +ATOM 97 HE21 GLN 9 32.121 31.490 25.220 1.00 0.00 +ATOM 98 HE22 GLN 9 33.070 31.084 23.786 1.00 0.00 +ATOM 99 C GLN 9 30.274 28.551 28.622 1.00 0.00 +ATOM 100 O GLN 9 29.890 27.393 28.468 1.00 0.00 +ATOM 101 N ALA 10 31.242 28.785 29.442 1.00 0.00 +ATOM 102 H ALA 10 31.635 29.704 29.643 1.00 0.00 +ATOM 103 CA ALA 10 31.850 27.666 30.156 1.00 0.00 +ATOM 104 HA ALA 10 32.272 26.943 29.458 1.00 0.00 +ATOM 105 CB ALA 10 32.980 28.232 31.034 1.00 0.00 +ATOM 106 HB1 ALA 10 33.456 27.419 31.583 1.00 0.00 +ATOM 107 HB2 ALA 10 33.720 28.725 30.403 1.00 0.00 +ATOM 108 HB3 ALA 10 32.567 28.952 31.740 1.00 0.00 +ATOM 109 C ALA 10 30.816 26.908 30.952 1.00 0.00 +ATOM 110 O ALA 10 30.743 25.673 30.926 1.00 0.00 +ATOM 111 N ALA 11 29.982 27.567 31.682 1.00 0.00 +ATOM 112 H ALA 11 29.954 28.583 31.776 1.00 0.00 +ATOM 113 CA ALA 11 28.981 26.833 32.451 1.00 0.00 +ATOM 114 HA ALA 11 29.458 26.150 33.156 1.00 0.00 +ATOM 115 CB ALA 11 28.148 27.861 33.235 1.00 0.00 +ATOM 116 HB1 ALA 11 27.389 27.343 33.822 1.00 0.00 +ATOM 117 HB2 ALA 11 28.800 28.426 33.902 1.00 0.00 +ATOM 118 HB3 ALA 11 27.663 28.544 32.537 1.00 0.00 +ATOM 119 C ALA 11 28.139 25.962 31.550 1.00 0.00 +ATOM 120 O ALA 11 27.896 24.780 31.820 1.00 0.00 +ATOM 121 N ALA 12 27.656 26.468 30.465 1.00 0.00 +ATOM 122 H ALA 12 27.793 27.428 30.150 1.00 0.00 +ATOM 123 CA ALA 12 26.841 25.626 29.594 1.00 0.00 +ATOM 124 HA ALA 12 25.961 25.260 30.121 1.00 0.00 +ATOM 125 CB ALA 12 26.389 26.487 28.403 1.00 0.00 +ATOM 126 HB1 ALA 12 25.776 25.886 27.732 1.00 0.00 +ATOM 127 HB2 ALA 12 25.805 27.333 28.767 1.00 0.00 +ATOM 128 HB3 ALA 12 27.263 26.854 27.866 1.00 0.00 +ATOM 129 C ALA 12 27.602 24.393 29.169 1.00 0.00 +ATOM 130 O ALA 12 27.100 23.263 29.217 1.00 0.00 +ATOM 131 N ALA 13 28.812 24.521 28.742 1.00 0.00 +ATOM 132 H ALA 13 29.319 25.403 28.662 1.00 0.00 +ATOM 133 CA ALA 13 29.548 23.329 28.331 1.00 0.00 +ATOM 134 HA ALA 13 29.039 22.821 27.511 1.00 0.00 +ATOM 135 CB ALA 13 30.939 23.779 27.853 1.00 0.00 +ATOM 136 HB1 ALA 13 31.516 22.910 27.539 1.00 0.00 +ATOM 137 HB2 ALA 13 30.830 24.466 27.014 1.00 0.00 +ATOM 138 HB3 ALA 13 31.459 24.283 28.668 1.00 0.00 +ATOM 139 C ALA 13 29.613 22.321 29.454 1.00 0.00 +ATOM 140 O ALA 13 29.363 21.123 29.275 1.00 0.00 +ATOM 141 N GLN 14 29.941 22.722 30.635 1.00 0.00 +ATOM 142 H GLN 14 30.165 23.683 30.891 1.00 0.00 +ATOM 143 CA GLN 14 30.005 21.748 31.720 1.00 0.00 +ATOM 144 HA GLN 14 30.754 20.992 31.485 1.00 0.00 +ATOM 145 CB GLN 14 30.400 22.481 33.022 1.00 0.00 +ATOM 146 HB2 GLN 14 31.340 23.005 32.848 1.00 0.00 +ATOM 147 HB3 GLN 14 29.646 23.239 33.231 1.00 0.00 +ATOM 148 CG GLN 14 30.565 21.588 34.294 1.00 0.00 +ATOM 149 HG2 GLN 14 29.638 21.030 34.426 1.00 0.00 +ATOM 150 HG3 GLN 14 31.349 20.861 34.086 1.00 0.00 +ATOM 151 CD GLN 14 30.897 22.254 35.636 1.00 0.00 +ATOM 152 OE1 GLN 14 30.994 21.596 36.661 1.00 0.00 +ATOM 153 NE2 GLN 14 31.055 23.552 35.702 1.00 0.00 +ATOM 154 HE21 GLN 14 30.977 24.118 34.857 1.00 0.00 +ATOM 155 HE22 GLN 14 31.255 23.996 36.598 1.00 0.00 +ATOM 156 C GLN 14 28.685 21.030 31.884 1.00 0.00 +ATOM 157 O GLN 14 28.620 19.808 31.999 1.00 0.00 +ATOM 158 N ALA 15 27.596 21.720 31.904 1.00 0.00 +ATOM 159 H ALA 15 27.539 22.735 31.817 1.00 0.00 +ATOM 160 CA ALA 15 26.322 21.026 32.062 1.00 0.00 +ATOM 161 HA ALA 15 26.293 20.474 33.001 1.00 0.00 +ATOM 162 CB ALA 15 25.209 22.089 32.073 1.00 0.00 +ATOM 163 HB1 ALA 15 24.241 21.601 32.190 1.00 0.00 +ATOM 164 HB2 ALA 15 25.371 22.777 32.902 1.00 0.00 +ATOM 165 HB3 ALA 15 25.226 22.642 31.134 1.00 0.00 +ATOM 166 C ALA 15 26.133 19.992 30.978 1.00 0.00 +ATOM 167 O ALA 15 25.757 18.841 31.228 1.00 0.00 +ATOM 168 N ALA 16 26.369 20.320 29.752 1.00 0.00 +ATOM 169 H ALA 16 26.681 21.239 29.437 1.00 0.00 +ATOM 170 CA ALA 16 26.186 19.320 28.705 1.00 0.00 +ATOM 171 HA ALA 16 25.155 18.965 28.682 1.00 0.00 +ATOM 172 CB ALA 16 26.515 19.988 27.359 1.00 0.00 +ATOM 173 HB1 ALA 16 26.388 19.265 26.553 1.00 0.00 +ATOM 174 HB2 ALA 16 25.845 20.832 27.198 1.00 0.00 +ATOM 175 HB3 ALA 16 27.547 20.340 27.371 1.00 0.00 +ATOM 176 C ALA 16 27.029 18.096 28.973 1.00 0.00 +ATOM 177 O ALA 16 28.212 18.178 29.325 1.00 0.00 +ATOM 178 N NME 17 26.499 16.928 28.830 1.00 0.00 +ATOM 179 H NME 17 25.536 16.812 28.545 1.00 0.00 +ATOM 180 C NME 17 27.291 15.736 29.082 1.00 0.00 +ATOM 181 H1 NME 17 28.299 16.025 29.378 1.00 0.00 +ATOM 182 H2 NME 17 26.830 15.155 29.881 1.00 0.00 +ATOM 183 H3 NME 17 27.338 15.133 28.175 1.00 0.00 +HETATM 184 F F A 1 59.891 23.285 19.760 0.00 0.00 F +HETATM 185 F F A 2 47.695 42.880 6.688 0.00 0.00 F +HETATM 186 F F A 3 47.789 27.453 10.161 0.00 0.00 F +HETATM 187 F F A 4 26.591 33.043 53.552 0.00 0.00 F +HETATM 188 F F A 5 20.197 6.146 20.703 0.00 0.00 F +HETATM 189 F F A 6 20.381 12.791 1.164 0.00 0.00 F +HETATM 190 F F A 7 50.647 16.972 30.571 0.00 0.00 F +HETATM 191 F F A 8 8.076 14.998 39.225 0.00 0.00 F +HETATM 192 K K B 1 7.052 57.497 53.101 0.00 0.00 K +HETATM 193 K K B 2 40.248 44.801 1.304 0.00 0.00 K +HETATM 194 K K B 3 42.363 31.900 6.226 0.00 0.00 K +HETATM 195 K K B 4 50.573 39.634 4.654 0.00 0.00 K +HETATM 196 K K B 5 36.361 5.923 8.042 0.00 0.00 K +HETATM 197 K K B 6 24.614 7.824 13.545 0.00 0.00 K +HETATM 198 K K B 7 35.613 25.878 2.729 0.00 0.00 K +HETATM 199 K K B 8 59.663 20.900 11.342 0.00 0.00 K +HETATM 200 OW SOL C 1 34.472 56.273 26.510 0.00 0.00 O +HETATM 201 HW SOL C 1 35.160 55.568 26.611 0.00 0.00 H +HETATM 202 HW SOL C 1 34.902 57.092 26.861 0.00 0.00 H +HETATM 203 OW SOL C 2 52.046 35.809 37.005 0.00 0.00 O +HETATM 204 HW SOL C 2 52.343 34.986 37.468 0.00 0.00 H +HETATM 205 HW SOL C 2 51.497 35.483 36.247 0.00 0.00 H +HETATM 206 OW SOL C 3 11.722 19.885 35.581 0.00 0.00 O +HETATM 207 HW SOL C 3 11.765 19.706 36.554 0.00 0.00 H +HETATM 208 HW SOL C 3 12.637 19.695 35.253 0.00 0.00 H +HETATM 209 OW SOL C 4 13.344 28.031 24.301 0.00 0.00 O +HETATM 210 HW SOL C 4 12.761 28.630 24.832 0.00 0.00 H +HETATM 211 HW SOL C 4 13.719 28.613 23.593 0.00 0.00 H +HETATM 212 OW SOL C 5 45.782 9.305 56.923 0.00 0.00 O +HETATM 213 HW SOL C 5 45.862 10.291 56.938 0.00 0.00 H +HETATM 214 HW SOL C 5 45.669 9.051 57.874 0.00 0.00 H +HETATM 215 OW SOL C 6 44.711 49.403 36.492 0.00 0.00 O +HETATM 216 HW SOL C 6 45.217 48.695 36.018 0.00 0.00 H +HETATM 217 HW SOL C 6 45.409 49.971 36.906 0.00 0.00 H +HETATM 218 OW SOL C 7 5.666 32.144 40.676 0.00 0.00 O +HETATM 219 HW SOL C 7 5.389 32.908 41.241 0.00 0.00 H +HETATM 220 HW SOL C 7 6.643 32.069 40.819 0.00 0.00 H +HETATM 221 OW SOL C 8 38.914 55.724 53.420 0.00 0.00 O +HETATM 222 HW SOL C 8 39.196 55.515 52.494 0.00 0.00 H +HETATM 223 HW SOL C 8 37.930 55.826 53.363 0.00 0.00 H +HETATM 224 OW SOL C 9 36.122 10.295 51.645 0.00 0.00 O +HETATM 225 HW SOL C 9 36.530 11.022 52.178 0.00 0.00 H +HETATM 226 HW SOL C 9 35.193 10.599 51.481 0.00 0.00 H +HETATM 227 OW SOL C 10 11.618 53.011 30.056 0.00 0.00 O +HETATM 228 HW SOL C 10 11.158 53.775 29.626 0.00 0.00 H +HETATM 229 HW SOL C 10 12.560 53.304 30.141 0.00 0.00 H +HETATM 230 OW SOL C 11 1.174 16.626 21.339 0.00 0.00 O +HETATM 231 HW SOL C 11 0.467 15.966 21.551 0.00 0.00 H +HETATM 232 HW SOL C 11 1.938 16.364 21.913 0.00 0.00 H +HETATM 233 OW SOL C 12 49.304 34.479 43.140 0.00 0.00 O +HETATM 234 HW SOL C 12 49.215 35.447 42.952 0.00 0.00 H +HETATM 235 HW SOL C 12 48.473 34.242 43.623 0.00 0.00 H +HETATM 236 OW SOL C 13 48.617 18.559 40.851 0.00 0.00 O +HETATM 237 HW SOL C 13 47.950 17.864 40.621 0.00 0.00 H +HETATM 238 HW SOL C 13 48.501 19.254 40.155 0.00 0.00 H +HETATM 239 OW SOL C 14 16.796 28.149 52.704 0.00 0.00 O +HETATM 240 HW SOL C 14 17.248 28.210 51.826 0.00 0.00 H +HETATM 241 HW SOL C 14 16.670 29.090 52.986 0.00 0.00 H +HETATM 242 OW SOL C 15 26.501 24.772 42.119 0.00 0.00 O +HETATM 243 HW SOL C 15 26.863 24.370 42.948 0.00 0.00 H +HETATM 244 HW SOL C 15 27.183 24.573 41.429 0.00 0.00 H +HETATM 245 OW SOL C 16 20.903 56.921 28.731 0.00 0.00 O +HETATM 246 HW SOL C 16 21.081 56.032 29.130 0.00 0.00 H +HETATM 247 HW SOL C 16 21.579 57.517 29.142 0.00 0.00 H +HETATM 248 OW SOL C 17 7.882 26.072 56.474 0.00 0.00 O +HETATM 249 HW SOL C 17 8.487 25.952 57.249 0.00 0.00 H +HETATM 250 HW SOL C 17 8.489 26.240 55.710 0.00 0.00 H +HETATM 251 OW SOL C 18 53.241 21.821 5.890 0.00 0.00 O +HETATM 252 HW SOL C 18 53.359 21.867 4.908 0.00 0.00 H +HETATM 253 HW SOL C 18 54.111 21.493 6.230 0.00 0.00 H +HETATM 254 OW SOL C 19 45.556 47.746 3.339 0.00 0.00 O +HETATM 255 HW SOL C 19 46.390 47.943 3.835 0.00 0.00 H +HETATM 256 HW SOL C 19 45.861 47.301 2.509 0.00 0.00 H +HETATM 257 OW SOL C 20 9.913 53.349 21.622 0.00 0.00 O +HETATM 258 HW SOL C 20 10.857 53.049 21.653 0.00 0.00 H +HETATM 259 HW SOL C 20 9.388 52.510 21.580 0.00 0.00 H +HETATM 260 OW SOL C 21 1.836 15.374 40.675 0.00 0.00 O +HETATM 261 HW SOL C 21 2.436 14.588 40.705 0.00 0.00 H +HETATM 262 HW SOL C 21 0.925 14.994 40.751 0.00 0.00 H +HETATM 263 OW SOL C 22 8.164 21.991 30.058 0.00 0.00 O +HETATM 264 HW SOL C 22 7.297 22.449 29.923 0.00 0.00 H +HETATM 265 HW SOL C 22 8.108 21.620 30.975 0.00 0.00 H +HETATM 266 OW SOL C 23 43.334 45.188 6.774 0.00 0.00 O +HETATM 267 HW SOL C 23 42.705 44.424 6.768 0.00 0.00 H +HETATM 268 HW SOL C 23 42.792 45.960 6.471 0.00 0.00 H +HETATM 269 OW SOL C 24 6.884 37.118 19.509 0.00 0.00 O +HETATM 270 HW SOL C 24 7.841 37.061 19.757 0.00 0.00 H +HETATM 271 HW SOL C 24 6.642 36.196 19.238 0.00 0.00 H +HETATM 272 OW SOL C 25 58.713 54.100 22.975 0.00 0.00 O +HETATM 273 HW SOL C 25 59.539 54.515 22.620 0.00 0.00 H +HETATM 274 HW SOL C 25 58.148 53.947 22.176 0.00 0.00 H +HETATM 275 OW SOL C 26 52.137 57.327 47.612 0.00 0.00 O +HETATM 276 HW SOL C 26 51.294 57.838 47.524 0.00 0.00 H +HETATM 277 HW SOL C 26 52.851 58.006 47.517 0.00 0.00 H +HETATM 278 OW SOL C 27 10.733 6.577 17.463 0.00 0.00 O +HETATM 279 HW SOL C 27 10.322 7.418 17.784 0.00 0.00 H +HETATM 280 HW SOL C 27 9.980 6.064 17.075 0.00 0.00 H +HETATM 281 OW SOL C 28 28.151 12.266 35.508 0.00 0.00 O +HETATM 282 HW SOL C 28 28.781 12.941 35.151 0.00 0.00 H +HETATM 283 HW SOL C 28 28.726 11.502 35.766 0.00 0.00 H +HETATM 284 OW SOL C 29 23.411 54.119 45.094 0.00 0.00 O +HETATM 285 HW SOL C 29 23.023 55.012 44.913 0.00 0.00 H +HETATM 286 HW SOL C 29 24.390 54.254 45.022 0.00 0.00 H +HETATM 287 OW SOL C 30 28.747 57.481 41.482 0.00 0.00 O +HETATM 288 HW SOL C 30 28.598 57.537 40.505 0.00 0.00 H +HETATM 289 HW SOL C 30 28.709 58.420 41.795 0.00 0.00 H +HETATM 290 OW SOL C 31 19.765 11.483 33.447 0.00 0.00 O +HETATM 291 HW SOL C 31 20.666 11.672 33.083 0.00 0.00 H +HETATM 292 HW SOL C 31 19.313 10.963 32.736 0.00 0.00 H +HETATM 293 OW SOL C 32 38.928 26.189 45.452 0.00 0.00 O +HETATM 294 HW SOL C 32 39.276 25.267 45.352 0.00 0.00 H +HETATM 295 HW SOL C 32 39.398 26.709 44.752 0.00 0.00 H +HETATM 296 OW SOL C 33 17.309 57.182 54.812 0.00 0.00 O +HETATM 297 HW SOL C 33 16.757 56.396 55.054 0.00 0.00 H +HETATM 298 HW SOL C 33 17.636 57.532 55.679 0.00 0.00 H +HETATM 299 OW SOL C 34 36.490 58.568 38.158 0.00 0.00 O +HETATM 300 HW SOL C 34 36.017 59.363 37.805 0.00 0.00 H +HETATM 301 HW SOL C 34 36.347 58.607 39.137 0.00 0.00 H +HETATM 302 OW SOL C 35 13.949 34.902 10.855 0.00 0.00 O +HETATM 303 HW SOL C 35 14.778 35.434 10.958 0.00 0.00 H +HETATM 304 HW SOL C 35 14.263 33.967 10.768 0.00 0.00 H +HETATM 305 OW SOL C 36 11.606 4.438 21.940 0.00 0.00 O +HETATM 306 HW SOL C 36 12.148 3.690 22.296 0.00 0.00 H +HETATM 307 HW SOL C 36 12.194 4.876 21.274 0.00 0.00 H +HETATM 308 OW SOL C 37 13.622 46.679 54.341 0.00 0.00 O +HETATM 309 HW SOL C 37 13.341 45.876 54.846 0.00 0.00 H +HETATM 310 HW SOL C 37 13.268 46.535 53.427 0.00 0.00 H +HETATM 311 OW SOL C 38 53.886 28.596 17.726 0.00 0.00 O +HETATM 312 HW SOL C 38 52.996 28.595 17.291 0.00 0.00 H +HETATM 313 HW SOL C 38 54.425 29.228 17.187 0.00 0.00 H +HETATM 314 OW SOL C 39 56.119 33.985 48.126 0.00 0.00 O +HETATM 315 HW SOL C 39 55.929 34.449 47.272 0.00 0.00 H +HETATM 316 HW SOL C 39 57.100 34.061 48.238 0.00 0.00 H +HETATM 317 OW SOL C 40 13.538 26.777 13.742 0.00 0.00 O +HETATM 318 HW SOL C 40 12.660 26.927 14.173 0.00 0.00 H +HETATM 319 HW SOL C 40 13.826 27.676 13.445 0.00 0.00 H 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1.382 37.529 0.00 0.00 H +HETATM 338 OW SOL C 47 18.676 6.088 7.259 0.00 0.00 O +HETATM 339 HW SOL C 47 18.104 6.892 7.184 0.00 0.00 H +HETATM 340 HW SOL C 47 19.452 6.385 7.799 0.00 0.00 H +HETATM 341 OW SOL C 48 32.174 14.919 8.119 0.00 0.00 O +HETATM 342 HW SOL C 48 32.509 15.841 7.986 0.00 0.00 H +HETATM 343 HW SOL C 48 31.845 14.906 9.053 0.00 0.00 H +HETATM 344 OW SOL C 49 51.324 3.074 15.111 0.00 0.00 O +HETATM 345 HW SOL C 49 52.273 2.801 15.174 0.00 0.00 H +HETATM 346 HW SOL C 49 50.821 2.220 15.082 0.00 0.00 H +HETATM 347 OW SOL C 50 27.205 12.347 56.488 0.00 0.00 O +HETATM 348 HW SOL C 50 27.194 11.357 56.527 0.00 0.00 H +HETATM 349 HW SOL C 50 26.897 12.634 57.384 0.00 0.00 H +HETATM 350 OW SOL C 51 11.703 1.780 9.664 0.00 0.00 O +HETATM 351 HW SOL C 51 12.066 0.894 9.413 0.00 0.00 H +HETATM 352 HW SOL C 51 11.599 1.737 10.648 0.00 0.00 H +HETATM 353 OW SOL C 52 57.735 33.522 5.865 0.00 0.00 O +HETATM 354 HW SOL C 52 58.528 33.812 5.348 0.00 0.00 H +HETATM 355 HW SOL C 52 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0.00 0.00 O +HETATM 618 HW SOL C 140 40.062 25.917 14.630 0.00 0.00 H +HETATM 619 HW SOL C 140 39.580 24.569 13.996 0.00 0.00 H +HETATM 620 OW SOL C 141 44.986 33.561 58.424 0.00 0.00 O +HETATM 621 HW SOL C 141 45.841 33.165 58.730 0.00 0.00 H +HETATM 622 HW SOL C 141 44.293 32.929 58.742 0.00 0.00 H +HETATM 623 OW SOL C 142 49.902 49.951 20.718 0.00 0.00 O +HETATM 624 HW SOL C 142 49.084 50.504 20.642 0.00 0.00 H +HETATM 625 HW SOL C 142 50.508 50.306 20.020 0.00 0.00 H +HETATM 626 OW SOL C 143 54.448 1.270 28.546 0.00 0.00 O +HETATM 627 HW SOL C 143 54.233 0.304 28.510 0.00 0.00 H +HETATM 628 HW SOL C 143 55.170 1.340 29.220 0.00 0.00 H +HETATM 629 OW SOL C 144 43.565 59.606 23.052 0.00 0.00 O +HETATM 630 HW SOL C 144 42.626 59.391 23.281 0.00 0.00 H +HETATM 631 HW SOL C 144 44.084 58.827 23.375 0.00 0.00 H +HETATM 632 OW SOL C 145 39.341 57.164 42.809 0.00 0.00 O +HETATM 633 HW SOL C 145 39.254 58.023 43.292 0.00 0.00 H +HETATM 634 HW SOL C 145 38.496 56.684 43.001 0.00 0.00 H 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151 33.829 30.667 16.556 0.00 0.00 H +HETATM 653 OW SOL C 152 3.104 13.805 30.803 0.00 0.00 O +HETATM 654 HW SOL C 152 2.657 14.550 31.279 0.00 0.00 H +HETATM 655 HW SOL C 152 2.419 13.468 30.172 0.00 0.00 H +HETATM 656 OW SOL C 153 38.939 44.710 44.733 0.00 0.00 O +HETATM 657 HW SOL C 153 38.695 43.756 44.631 0.00 0.00 H +HETATM 658 HW SOL C 153 39.924 44.727 44.630 0.00 0.00 H +HETATM 659 OW SOL C 154 12.878 25.783 7.155 0.00 0.00 O +HETATM 660 HW SOL C 154 13.196 25.211 6.412 0.00 0.00 H +HETATM 661 HW SOL C 154 13.166 25.309 7.975 0.00 0.00 H +HETATM 662 OW SOL C 155 25.519 55.112 22.240 0.00 0.00 O +HETATM 663 HW SOL C 155 25.160 56.027 22.354 0.00 0.00 H +HETATM 664 HW SOL C 155 26.478 55.247 22.030 0.00 0.00 H +HETATM 665 OW SOL C 156 38.390 21.926 48.887 0.00 0.00 O +HETATM 666 HW SOL C 156 37.470 21.613 49.073 0.00 0.00 H +HETATM 667 HW SOL C 156 38.433 22.829 49.293 0.00 0.00 H +HETATM 668 OW SOL C 157 20.247 50.662 19.990 0.00 0.00 O +HETATM 669 HW SOL C 157 19.519 50.148 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SOL C 169 16.349 56.048 10.871 0.00 0.00 O +HETATM 705 HW SOL C 169 16.338 55.171 10.411 0.00 0.00 H +HETATM 706 HW SOL C 169 15.396 56.313 10.924 0.00 0.00 H +HETATM 707 OW SOL C 170 18.690 9.545 47.801 0.00 0.00 O +HETATM 708 HW SOL C 170 18.671 8.631 47.422 0.00 0.00 H +HETATM 709 HW SOL C 170 18.754 10.140 47.012 0.00 0.00 H +HETATM 710 OW SOL C 171 43.320 50.071 6.164 0.00 0.00 O +HETATM 711 HW SOL C 171 44.274 50.273 6.331 0.00 0.00 H +HETATM 712 HW SOL C 171 42.828 50.657 6.793 0.00 0.00 H +HETATM 713 OW SOL C 172 26.733 29.283 6.501 0.00 0.00 O +HETATM 714 HW SOL C 172 27.681 29.466 6.721 0.00 0.00 H +HETATM 715 HW SOL C 172 26.752 28.975 5.560 0.00 0.00 H +HETATM 716 OW SOL C 173 29.504 17.958 41.764 0.00 0.00 O +HETATM 717 HW SOL C 173 28.909 17.375 42.298 0.00 0.00 H +HETATM 718 HW SOL C 173 29.975 17.338 41.151 0.00 0.00 H +HETATM 719 OW SOL C 174 15.392 6.866 52.950 0.00 0.00 O +HETATM 720 HW SOL C 174 16.000 7.530 52.538 0.00 0.00 H +HETATM 721 HW SOL C 174 15.961 6.071 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18.366 0.00 0.00 O +HETATM 861 HW SOL C 221 52.852 58.725 18.538 0.00 0.00 H +HETATM 862 HW SOL C 221 51.671 59.449 19.267 0.00 0.00 H +HETATM 863 OW SOL C 222 47.991 19.097 22.259 0.00 0.00 O +HETATM 864 HW SOL C 222 47.308 18.684 22.844 0.00 0.00 H +HETATM 865 HW SOL C 222 47.810 20.069 22.313 0.00 0.00 H +HETATM 866 OW SOL C 223 13.334 5.837 0.761 0.00 0.00 O +HETATM 867 HW SOL C 223 12.775 5.025 0.854 0.00 0.00 H +HETATM 868 HW SOL C 223 12.685 6.570 0.608 0.00 0.00 H +HETATM 869 OW SOL C 224 40.750 40.283 54.979 0.00 0.00 O +HETATM 870 HW SOL C 224 40.374 40.506 55.867 0.00 0.00 H +HETATM 871 HW SOL C 224 41.610 39.834 55.179 0.00 0.00 H +HETATM 872 OW SOL C 225 30.077 53.393 37.565 0.00 0.00 O +HETATM 873 HW SOL C 225 30.762 54.105 37.497 0.00 0.00 H +HETATM 874 HW SOL C 225 30.422 52.660 36.996 0.00 0.00 H +HETATM 875 OW SOL C 226 7.500 6.504 25.947 0.00 0.00 O +HETATM 876 HW SOL C 226 7.203 5.600 26.223 0.00 0.00 H +HETATM 877 HW SOL C 226 7.030 6.668 25.091 0.00 0.00 H +HETATM 878 OW SOL C 227 40.123 42.548 15.259 0.00 0.00 O +HETATM 879 HW SOL C 227 40.560 41.686 15.473 0.00 0.00 H +HETATM 880 HW SOL C 227 40.870 43.192 15.174 0.00 0.00 H +HETATM 881 OW SOL C 228 48.167 35.037 9.612 0.00 0.00 O +HETATM 882 HW SOL C 228 49.142 34.942 9.468 0.00 0.00 H +HETATM 883 HW SOL C 228 47.992 36.004 9.490 0.00 0.00 H +HETATM 884 OW SOL C 229 3.297 18.746 51.820 0.00 0.00 O +HETATM 885 HW SOL C 229 3.997 19.424 51.645 0.00 0.00 H +HETATM 886 HW SOL C 229 2.446 19.208 51.613 0.00 0.00 H +HETATM 887 OW SOL C 230 34.800 53.799 19.419 0.00 0.00 O +HETATM 888 HW SOL C 230 35.647 54.311 19.437 0.00 0.00 H +HETATM 889 HW SOL C 230 34.964 53.027 20.018 0.00 0.00 H +HETATM 890 OW SOL C 231 57.299 5.984 4.828 0.00 0.00 O +HETATM 891 HW SOL C 231 58.154 6.074 4.338 0.00 0.00 H +HETATM 892 HW SOL C 231 57.114 6.894 5.173 0.00 0.00 H +HETATM 893 OW SOL C 232 4.814 37.096 45.242 0.00 0.00 O +HETATM 894 HW SOL C 232 4.947 37.336 44.291 0.00 0.00 H +HETATM 895 HW SOL C 232 3.997 36.536 45.245 0.00 0.00 H +HETATM 896 OW SOL C 233 58.901 19.674 20.698 0.00 0.00 O +HETATM 897 HW SOL C 233 58.564 19.616 21.628 0.00 0.00 H +HETATM 898 HW SOL C 233 58.354 20.386 20.280 0.00 0.00 H +HETATM 899 OW SOL C 234 27.253 26.336 59.970 0.00 0.00 O +HETATM 900 HW SOL C 234 27.481 25.585 59.367 0.00 0.00 H +HETATM 901 HW SOL C 234 26.751 26.970 59.399 0.00 0.00 H +HETATM 902 OW SOL C 235 55.910 11.742 48.503 0.00 0.00 O +HETATM 903 HW SOL C 235 56.064 11.488 47.559 0.00 0.00 H +HETATM 904 HW SOL C 235 56.773 12.126 48.800 0.00 0.00 H +HETATM 905 OW SOL C 236 6.432 33.900 38.898 0.00 0.00 O +HETATM 906 HW SOL C 236 6.968 34.732 38.898 0.00 0.00 H +HETATM 907 HW SOL C 236 7.103 33.172 38.914 0.00 0.00 H +HETATM 908 OW SOL C 237 14.706 9.047 13.026 0.00 0.00 O +HETATM 909 HW SOL C 237 14.989 8.368 12.364 0.00 0.00 H +HETATM 910 HW SOL C 237 13.727 9.128 12.896 0.00 0.00 H +HETATM 911 OW SOL C 238 54.446 45.362 21.039 0.00 0.00 O +HETATM 912 HW SOL C 238 54.592 45.335 22.018 0.00 0.00 H +HETATM 913 HW SOL C 238 55.356 45.431 20.654 0.00 0.00 H +HETATM 914 OW SOL C 239 57.049 36.672 13.820 0.00 0.00 O +HETATM 915 HW SOL C 239 57.599 36.481 13.019 0.00 0.00 H +HETATM 916 HW SOL C 239 57.117 35.850 14.369 0.00 0.00 H +HETATM 917 OW SOL C 240 35.769 19.753 13.314 0.00 0.00 O +HETATM 918 HW SOL C 240 36.743 19.592 13.382 0.00 0.00 H +HETATM 919 HW SOL C 240 35.532 19.460 12.398 0.00 0.00 H +HETATM 920 OW SOL C 241 55.877 4.682 49.310 0.00 0.00 O +HETATM 921 HW SOL C 241 55.395 3.820 49.382 0.00 0.00 H +HETATM 922 HW SOL C 241 55.161 5.367 49.309 0.00 0.00 H +HETATM 923 OW SOL C 242 31.121 31.796 57.247 0.00 0.00 O +HETATM 924 HW SOL C 242 31.831 31.445 56.653 0.00 0.00 H +HETATM 925 HW SOL C 242 30.490 32.254 56.637 0.00 0.00 H +HETATM 926 OW SOL C 243 4.870 48.062 54.130 0.00 0.00 O +HETATM 927 HW SOL C 243 4.690 47.196 54.576 0.00 0.00 H +HETATM 928 HW SOL C 243 5.844 48.200 54.241 0.00 0.00 H +HETATM 929 OW SOL C 244 27.285 30.982 49.365 0.00 0.00 O +HETATM 930 HW SOL C 244 26.369 30.607 49.361 0.00 0.00 H +HETATM 931 HW SOL C 244 27.153 31.960 49.451 0.00 0.00 H +HETATM 932 OW SOL C 245 32.229 35.131 58.213 0.00 0.00 O +HETATM 933 HW SOL C 245 31.559 34.403 58.185 0.00 0.00 H +HETATM 934 HW SOL C 245 33.102 34.665 58.224 0.00 0.00 H +HETATM 935 OW SOL C 246 14.900 35.163 34.276 0.00 0.00 O +HETATM 936 HW SOL C 246 14.869 35.034 35.257 0.00 0.00 H +HETATM 937 HW SOL C 246 13.958 35.324 34.017 0.00 0.00 H +HETATM 938 OW SOL C 247 38.727 59.528 38.484 0.00 0.00 O +HETATM 939 HW SOL C 247 38.737 58.572 38.227 0.00 0.00 H +HETATM 940 HW SOL C 247 38.155 59.962 37.803 0.00 0.00 H +HETATM 941 OW SOL C 248 40.250 14.451 51.118 0.00 0.00 O +HETATM 942 HW SOL C 248 40.310 13.574 50.663 0.00 0.00 H +HETATM 943 HW SOL C 248 40.739 14.322 51.970 0.00 0.00 H +HETATM 944 OW SOL C 249 10.468 12.806 59.195 0.00 0.00 O +HETATM 945 HW SOL C 249 11.028 13.165 59.927 0.00 0.00 H +HETATM 946 HW SOL C 249 11.117 12.485 58.519 0.00 0.00 H +HETATM 947 OW SOL C 250 47.125 20.802 1.370 0.00 0.00 O +HETATM 948 HW SOL C 250 47.850 21.319 1.803 0.00 0.00 H +HETATM 949 HW SOL C 250 46.326 21.381 1.449 0.00 0.00 H +HETATM 950 OW SOL C 251 14.616 55.611 6.206 0.00 0.00 O +HETATM 951 HW SOL C 251 14.454 55.887 5.270 0.00 0.00 H +HETATM 952 HW SOL C 251 14.172 54.730 6.286 0.00 0.00 H +HETATM 953 OW SOL C 252 52.871 42.409 44.711 0.00 0.00 O +HETATM 954 HW SOL C 252 53.693 42.817 44.341 0.00 0.00 H +HETATM 955 HW SOL C 252 52.192 43.129 44.660 0.00 0.00 H +HETATM 956 OW SOL C 253 52.394 9.801 42.527 0.00 0.00 O +HETATM 957 HW SOL C 253 51.872 8.960 42.517 0.00 0.00 H +HETATM 958 HW SOL C 253 53.340 9.505 42.530 0.00 0.00 H +HETATM 959 OW SOL C 254 54.554 14.607 57.933 0.00 0.00 O +HETATM 960 HW SOL C 254 55.497 14.561 58.228 0.00 0.00 H +HETATM 961 HW SOL C 254 54.028 14.568 58.771 0.00 0.00 H +HETATM 962 OW SOL C 255 55.047 44.698 3.626 0.00 0.00 O +HETATM 963 HW SOL C 255 55.352 43.761 3.729 0.00 0.00 H +HETATM 964 HW SOL C 255 55.882 45.231 3.614 0.00 0.00 H +HETATM 965 OW SOL C 256 31.626 25.283 57.895 0.00 0.00 O +HETATM 966 HW SOL C 256 30.803 25.751 57.605 0.00 0.00 H +HETATM 967 HW SOL C 256 31.882 24.726 57.117 0.00 0.00 H +HETATM 968 OW SOL C 257 9.747 28.257 29.227 0.00 0.00 O +HETATM 969 HW SOL C 257 9.008 28.040 29.849 0.00 0.00 H +HETATM 970 HW SOL C 257 10.527 27.764 29.586 0.00 0.00 H +HETATM 971 OW SOL C 258 20.585 4.271 27.240 0.00 0.00 O +HETATM 972 HW SOL C 258 21.296 4.836 27.633 0.00 0.00 H +HETATM 973 HW SOL C 258 20.861 4.144 26.297 0.00 0.00 H +HETATM 974 OW SOL C 259 12.515 30.549 59.066 0.00 0.00 O +HETATM 975 HW SOL C 259 12.411 31.006 58.194 0.00 0.00 H +HETATM 976 HW SOL C 259 12.776 31.269 59.695 0.00 0.00 H +HETATM 977 OW SOL C 260 8.575 42.850 33.028 0.00 0.00 O +HETATM 978 HW SOL C 260 9.542 42.802 33.234 0.00 0.00 H +HETATM 979 HW SOL C 260 8.422 43.796 32.776 0.00 0.00 H +HETATM 980 OW SOL C 261 28.329 46.470 7.785 0.00 0.00 O +HETATM 981 HW SOL C 261 27.560 46.066 7.311 0.00 0.00 H +HETATM 982 HW SOL C 261 27.922 46.986 8.526 0.00 0.00 H +HETATM 983 OW SOL C 262 11.209 13.227 41.787 0.00 0.00 O +HETATM 984 HW SOL C 262 11.635 14.077 41.510 0.00 0.00 H +HETATM 985 HW SOL C 262 11.931 12.726 42.244 0.00 0.00 H +HETATM 986 OW SOL C 263 59.052 42.023 25.741 0.00 0.00 O +HETATM 987 HW SOL C 263 59.287 42.628 26.488 0.00 0.00 H +HETATM 988 HW SOL C 263 59.831 41.418 25.656 0.00 0.00 H +HETATM 989 OW SOL C 264 16.523 18.288 10.968 0.00 0.00 O +HETATM 990 HW SOL C 264 16.742 19.045 11.567 0.00 0.00 H +HETATM 991 HW SOL C 264 16.030 18.701 10.215 0.00 0.00 H +HETATM 992 OW SOL C 265 51.006 53.084 42.548 0.00 0.00 O +HETATM 993 HW SOL C 265 50.263 53.736 42.599 0.00 0.00 H +HETATM 994 HW SOL C 265 51.809 53.635 42.369 0.00 0.00 H +HETATM 995 OW SOL C 266 5.492 10.639 38.776 0.00 0.00 O +HETATM 996 HW SOL C 266 5.392 10.675 37.792 0.00 0.00 H +HETATM 997 HW SOL C 266 5.741 11.563 39.034 0.00 0.00 H +HETATM 998 OW SOL C 267 12.492 29.208 27.687 0.00 0.00 O +HETATM 999 HW SOL C 267 11.543 28.930 27.642 0.00 0.00 H +HETATM 1000 HW SOL C 267 12.471 30.189 27.555 0.00 0.00 H +HETATM 1001 OW SOL C 268 7.067 48.126 21.795 0.00 0.00 O +HETATM 1002 HW SOL C 268 8.052 48.092 21.707 0.00 0.00 H +HETATM 1003 HW SOL C 268 6.816 47.230 22.132 0.00 0.00 H +HETATM 1004 OW SOL C 269 48.373 54.354 46.405 0.00 0.00 O +HETATM 1005 HW SOL C 269 47.446 54.158 46.689 0.00 0.00 H +HETATM 1006 HW SOL C 269 48.645 53.561 45.878 0.00 0.00 H +HETATM 1007 OW SOL C 270 25.600 48.194 26.260 0.00 0.00 O +HETATM 1008 HW SOL C 270 25.596 48.748 27.080 0.00 0.00 H +HETATM 1009 HW SOL C 270 25.054 47.401 26.492 0.00 0.00 H +HETATM 1010 OW SOL C 271 7.929 7.249 30.446 0.00 0.00 O +HETATM 1011 HW SOL C 271 7.815 7.064 31.411 0.00 0.00 H +HETATM 1012 HW SOL C 271 8.889 7.080 30.272 0.00 0.00 H +HETATM 1013 OW SOL C 272 43.039 47.562 17.431 0.00 0.00 O +HETATM 1014 HW SOL C 272 42.402 46.835 17.645 0.00 0.00 H +HETATM 1015 HW SOL C 272 42.804 47.836 16.509 0.00 0.00 H +HETATM 1016 OW SOL C 273 37.526 45.648 38.870 0.00 0.00 O +HETATM 1017 HW SOL C 273 37.129 45.014 39.518 0.00 0.00 H +HETATM 1018 HW SOL C 273 38.484 45.400 38.834 0.00 0.00 H +HETATM 1019 OW SOL C 274 51.664 57.187 16.506 0.00 0.00 O +HETATM 1020 HW SOL C 274 52.337 57.909 16.423 0.00 0.00 H +HETATM 1021 HW SOL C 274 51.151 57.227 15.660 0.00 0.00 H +HETATM 1022 OW SOL C 275 28.001 12.557 7.231 0.00 0.00 O +HETATM 1023 HW SOL C 275 28.467 13.154 7.870 0.00 0.00 H +HETATM 1024 HW SOL C 275 28.570 12.570 6.420 0.00 0.00 H +HETATM 1025 OW SOL C 276 36.950 16.876 13.305 0.00 0.00 O +HETATM 1026 HW SOL C 276 36.760 16.982 14.271 0.00 0.00 H +HETATM 1027 HW SOL C 276 36.405 16.097 13.030 0.00 0.00 H +HETATM 1028 OW SOL C 277 21.702 43.822 4.279 0.00 0.00 O +HETATM 1029 HW SOL C 277 21.497 44.520 3.609 0.00 0.00 H +HETATM 1030 HW SOL C 277 21.235 43.014 3.947 0.00 0.00 H +HETATM 1031 OW SOL C 278 32.995 11.955 43.226 0.00 0.00 O +HETATM 1032 HW SOL C 278 32.615 12.836 43.468 0.00 0.00 H +HETATM 1033 HW SOL C 278 33.711 12.163 42.575 0.00 0.00 H +HETATM 1034 OW SOL C 279 32.521 8.064 51.377 0.00 0.00 O +HETATM 1035 HW SOL C 279 32.592 7.360 50.685 0.00 0.00 H +HETATM 1036 HW SOL C 279 32.523 8.913 50.869 0.00 0.00 H +HETATM 1037 OW SOL C 280 27.820 18.272 47.161 0.00 0.00 O +HETATM 1038 HW SOL C 280 27.604 19.186 46.850 0.00 0.00 H +HETATM 1039 HW SOL C 280 27.147 17.694 46.720 0.00 0.00 H +HETATM 1040 OW SOL C 281 35.553 8.595 26.072 0.00 0.00 O +HETATM 1041 HW SOL C 281 36.397 8.077 26.038 0.00 0.00 H +HETATM 1042 HW SOL C 281 34.840 7.915 25.969 0.00 0.00 H +HETATM 1043 OW SOL C 282 46.325 35.885 27.755 0.00 0.00 O +HETATM 1044 HW SOL C 282 46.381 35.244 28.507 0.00 0.00 H +HETATM 1045 HW SOL C 282 47.260 36.180 27.610 0.00 0.00 H +HETATM 1046 OW SOL C 283 8.713 17.140 17.395 0.00 0.00 O +HETATM 1047 HW SOL C 283 7.844 16.680 17.283 0.00 0.00 H +HETATM 1048 HW SOL C 283 9.107 17.151 16.486 0.00 0.00 H +HETATM 1049 OW SOL C 284 35.039 35.593 2.943 0.00 0.00 O +HETATM 1050 HW SOL C 284 34.445 36.385 2.916 0.00 0.00 H +HETATM 1051 HW SOL C 284 35.947 35.968 3.070 0.00 0.00 H +HETATM 1052 OW SOL C 285 56.007 51.434 26.991 0.00 0.00 O +HETATM 1053 HW SOL C 285 55.269 52.063 27.190 0.00 0.00 H +HETATM 1054 HW SOL C 285 56.764 52.015 26.726 0.00 0.00 H +HETATM 1055 OW SOL C 286 35.833 47.651 30.518 0.00 0.00 O +HETATM 1056 HW SOL C 286 36.613 47.179 30.133 0.00 0.00 H +HETATM 1057 HW SOL C 286 35.140 46.950 30.614 0.00 0.00 H +HETATM 1058 OW SOL C 287 5.720 34.138 13.631 0.00 0.00 O +HETATM 1059 HW SOL C 287 5.892 33.170 13.748 0.00 0.00 H +HETATM 1060 HW SOL C 287 4.947 34.180 13.014 0.00 0.00 H +HETATM 1061 OW SOL C 288 20.962 39.924 49.145 0.00 0.00 O +HETATM 1062 HW SOL C 288 21.213 39.448 49.976 0.00 0.00 H +HETATM 1063 HW SOL C 288 21.365 39.385 48.419 0.00 0.00 H +HETATM 1064 OW SOL C 289 2.786 22.246 27.166 0.00 0.00 O +HETATM 1065 HW SOL C 289 2.031 22.262 27.806 0.00 0.00 H +HETATM 1066 HW SOL C 289 3.534 21.844 27.675 0.00 0.00 H +HETATM 1067 OW SOL C 290 33.851 40.754 54.968 0.00 0.00 O +HETATM 1068 HW SOL C 290 34.453 41.488 54.690 0.00 0.00 H +HETATM 1069 HW SOL C 290 32.940 41.135 54.885 0.00 0.00 H +HETATM 1070 OW SOL C 291 34.579 26.415 9.949 0.00 0.00 O +HETATM 1071 HW SOL C 291 33.861 26.039 10.518 0.00 0.00 H +HETATM 1072 HW SOL C 291 34.706 27.337 10.288 0.00 0.00 H +HETATM 1073 OW SOL C 292 53.054 45.561 18.548 0.00 0.00 O +HETATM 1074 HW SOL C 292 53.711 46.299 18.606 0.00 0.00 H +HETATM 1075 HW SOL C 292 53.601 44.737 18.591 0.00 0.00 H +HETATM 1076 OW SOL C 293 26.483 6.494 47.089 0.00 0.00 O +HETATM 1077 HW SOL C 293 26.067 7.184 46.515 0.00 0.00 H +HETATM 1078 HW SOL C 293 25.721 6.069 47.559 0.00 0.00 H +HETATM 1079 OW SOL C 294 16.498 52.261 12.444 0.00 0.00 O +HETATM 1080 HW SOL C 294 16.045 52.086 11.581 0.00 0.00 H +HETATM 1081 HW SOL C 294 15.871 51.915 13.128 0.00 0.00 H +HETATM 1082 OW SOL C 295 35.635 45.717 16.022 0.00 0.00 O +HETATM 1083 HW SOL C 295 35.314 45.173 16.784 0.00 0.00 H +HETATM 1084 HW SOL C 295 36.083 45.068 15.424 0.00 0.00 H +HETATM 1085 OW SOL C 296 12.951 33.659 49.476 0.00 0.00 O +HETATM 1086 HW SOL C 296 13.816 34.021 49.159 0.00 0.00 H +HETATM 1087 HW SOL C 296 13.063 33.573 50.457 0.00 0.00 H +HETATM 1088 OW SOL C 297 48.295 38.351 5.545 0.00 0.00 O +HETATM 1089 HW SOL C 297 47.733 37.539 5.605 0.00 0.00 H +HETATM 1090 HW SOL C 297 49.199 38.013 5.322 0.00 0.00 H +HETATM 1091 OW SOL C 298 58.123 47.653 42.057 0.00 0.00 O +HETATM 1092 HW SOL C 298 57.648 47.655 41.188 0.00 0.00 H +HETATM 1093 HW SOL C 298 58.867 47.011 41.932 0.00 0.00 H +HETATM 1094 OW SOL C 299 2.952 54.836 36.509 0.00 0.00 O +HETATM 1095 HW SOL C 299 3.431 55.654 36.794 0.00 0.00 H +HETATM 1096 HW SOL C 299 2.024 54.967 36.829 0.00 0.00 H +HETATM 1097 OW SOL C 300 39.412 16.191 54.606 0.00 0.00 O +HETATM 1098 HW SOL C 300 39.254 16.341 53.640 0.00 0.00 H +HETATM 1099 HW SOL C 300 38.518 15.968 54.971 0.00 0.00 H +HETATM 1100 OW SOL C 301 3.818 55.408 15.872 0.00 0.00 O +HETATM 1101 HW SOL C 301 3.449 54.552 16.206 0.00 0.00 H +HETATM 1102 HW SOL C 301 3.277 56.104 16.324 0.00 0.00 H +HETATM 1103 OW SOL C 302 2.353 7.559 31.340 0.00 0.00 O +HETATM 1104 HW SOL C 302 1.678 6.981 31.776 0.00 0.00 H +HETATM 1105 HW SOL C 302 3.194 7.372 31.829 0.00 0.00 H +HETATM 1106 OW SOL C 303 43.052 27.684 36.671 0.00 0.00 O +HETATM 1107 HW SOL C 303 43.363 28.571 36.983 0.00 0.00 H +HETATM 1108 HW SOL C 303 43.871 27.127 36.653 0.00 0.00 H +HETATM 1109 OW SOL C 304 8.564 33.178 8.601 0.00 0.00 O +HETATM 1110 HW SOL C 304 8.622 33.022 9.577 0.00 0.00 H +HETATM 1111 HW SOL C 304 9.482 33.013 8.268 0.00 0.00 H +HETATM 1112 OW SOL C 305 44.784 7.135 23.237 0.00 0.00 O +HETATM 1113 HW SOL C 305 44.111 6.458 22.973 0.00 0.00 H +HETATM 1114 HW SOL C 305 44.979 7.630 22.402 0.00 0.00 H +HETATM 1115 OW SOL C 306 22.552 6.403 10.908 0.00 0.00 O +HETATM 1116 HW SOL C 306 23.222 6.368 10.181 0.00 0.00 H +HETATM 1117 HW SOL C 306 22.306 7.360 10.974 0.00 0.00 H +HETATM 1118 OW SOL C 307 49.897 8.023 36.579 0.00 0.00 O +HETATM 1119 HW SOL C 307 49.544 7.102 36.488 0.00 0.00 H +HETATM 1120 HW SOL C 307 50.831 7.964 36.256 0.00 0.00 H +HETATM 1121 OW SOL C 308 29.422 1.583 28.435 0.00 0.00 O +HETATM 1122 HW SOL C 308 30.326 1.857 28.140 0.00 0.00 H +HETATM 1123 HW SOL C 308 28.889 2.418 28.411 0.00 0.00 H +HETATM 1124 OW SOL C 309 5.163 51.365 3.996 0.00 0.00 O +HETATM 1125 HW SOL C 309 4.305 51.857 3.980 0.00 0.00 H +HETATM 1126 HW SOL C 309 5.856 52.071 3.943 0.00 0.00 H +HETATM 1127 OW SOL C 310 7.219 20.240 53.311 0.00 0.00 O +HETATM 1128 HW SOL C 310 6.355 19.766 53.413 0.00 0.00 H +HETATM 1129 HW SOL C 310 7.898 19.518 53.302 0.00 0.00 H +HETATM 1130 OW SOL C 311 43.562 20.885 52.554 0.00 0.00 O +HETATM 1131 HW SOL C 311 43.985 21.679 52.969 0.00 0.00 H +HETATM 1132 HW SOL C 311 42.669 20.829 52.979 0.00 0.00 H +HETATM 1133 OW SOL C 312 43.456 34.189 25.664 0.00 0.00 O +HETATM 1134 HW SOL C 312 44.436 34.319 25.623 0.00 0.00 H +HETATM 1135 HW SOL C 312 43.081 35.102 25.578 0.00 0.00 H +HETATM 1136 OW SOL C 313 24.759 54.875 20.078 0.00 0.00 O +HETATM 1137 HW SOL C 313 25.368 54.095 20.081 0.00 0.00 H +HETATM 1138 HW SOL C 313 24.606 55.067 19.118 0.00 0.00 H +HETATM 1139 OW SOL C 314 33.784 45.882 20.604 0.00 0.00 O +HETATM 1140 HW SOL C 314 34.601 45.402 20.317 0.00 0.00 H +HETATM 1141 HW SOL C 314 34.094 46.800 20.807 0.00 0.00 H +HETATM 1142 OW SOL C 315 11.797 31.161 49.790 0.00 0.00 O +HETATM 1143 HW SOL C 315 11.205 31.955 49.795 0.00 0.00 H +HETATM 1144 HW SOL C 315 11.178 30.389 49.803 0.00 0.00 H +HETATM 1145 OW SOL C 316 4.560 25.772 5.484 0.00 0.00 O +HETATM 1146 HW SOL C 316 3.666 25.432 5.743 0.00 0.00 H +HETATM 1147 HW SOL C 316 4.431 26.747 5.368 0.00 0.00 H +HETATM 1148 OW SOL C 317 5.167 24.392 10.687 0.00 0.00 O +HETATM 1149 HW SOL C 317 4.436 23.768 10.924 0.00 0.00 H +HETATM 1150 HW SOL C 317 5.993 23.926 10.973 0.00 0.00 H +HETATM 1151 OW SOL C 318 10.571 10.281 36.200 0.00 0.00 O +HETATM 1152 HW SOL C 318 11.279 10.268 35.508 0.00 0.00 H +HETATM 1153 HW SOL C 318 10.590 9.372 36.593 0.00 0.00 H +HETATM 1154 OW SOL C 319 21.029 18.299 23.423 0.00 0.00 O +HETATM 1155 HW SOL C 319 20.582 18.531 22.571 0.00 0.00 H +HETATM 1156 HW SOL C 319 20.344 18.471 24.118 0.00 0.00 H +HETATM 1157 OW SOL C 320 40.657 27.511 49.560 0.00 0.00 O +HETATM 1158 HW SOL C 320 41.571 27.185 49.758 0.00 0.00 H +HETATM 1159 HW SOL C 320 40.123 26.687 49.428 0.00 0.00 H +HETATM 1160 OW SOL C 321 57.787 21.534 53.885 0.00 0.00 O +HETATM 1161 HW SOL C 321 56.948 21.718 53.393 0.00 0.00 H +HETATM 1162 HW SOL C 321 57.721 20.580 54.142 0.00 0.00 H +HETATM 1163 OW SOL C 322 44.759 37.436 53.610 0.00 0.00 O +HETATM 1164 HW SOL C 322 44.349 38.335 53.560 0.00 0.00 H +HETATM 1165 HW SOL C 322 45.594 37.513 53.083 0.00 0.00 H +HETATM 1166 OW SOL C 323 14.439 38.249 16.125 0.00 0.00 O +HETATM 1167 HW SOL C 323 13.968 39.111 15.997 0.00 0.00 H +HETATM 1168 HW SOL C 323 14.250 37.737 15.299 0.00 0.00 H +HETATM 1169 OW SOL C 324 18.518 9.994 35.095 0.00 0.00 O +HETATM 1170 HW SOL C 324 17.589 9.653 35.072 0.00 0.00 H +HETATM 1171 HW SOL C 324 18.419 10.977 35.169 0.00 0.00 H +HETATM 1172 OW SOL C 325 2.295 31.995 3.749 0.00 0.00 O +HETATM 1173 HW SOL C 325 2.159 31.902 4.725 0.00 0.00 H +HETATM 1174 HW SOL C 325 1.833 32.839 3.513 0.00 0.00 H +HETATM 1175 OW SOL C 326 2.380 52.102 35.814 0.00 0.00 O +HETATM 1176 HW SOL C 326 2.655 52.792 35.159 0.00 0.00 H +HETATM 1177 HW SOL C 326 1.419 51.953 35.629 0.00 0.00 H +HETATM 1178 OW SOL C 327 35.857 32.333 9.768 0.00 0.00 O +HETATM 1179 HW SOL C 327 35.349 31.497 9.923 0.00 0.00 H +HETATM 1180 HW SOL C 327 35.492 32.692 8.920 0.00 0.00 H +HETATM 1181 OW SOL C 328 13.676 7.960 17.355 0.00 0.00 O +HETATM 1182 HW SOL C 328 13.562 8.797 16.839 0.00 0.00 H +HETATM 1183 HW SOL C 328 14.231 8.222 18.133 0.00 0.00 H +HETATM 1184 OW SOL C 329 16.207 34.708 15.601 0.00 0.00 O +HETATM 1185 HW SOL C 329 15.641 35.470 15.319 0.00 0.00 H +HETATM 1186 HW SOL C 329 15.562 34.012 15.886 0.00 0.00 H +HETATM 1187 OW SOL C 330 12.125 48.254 43.116 0.00 0.00 O +HETATM 1188 HW SOL C 330 12.642 48.184 42.275 0.00 0.00 H +HETATM 1189 HW SOL C 330 12.654 48.870 43.683 0.00 0.00 H +HETATM 1190 OW SOL C 331 11.997 46.923 39.878 0.00 0.00 O +HETATM 1191 HW SOL C 331 12.908 47.261 39.688 0.00 0.00 H +HETATM 1192 HW SOL C 331 12.075 45.939 39.794 0.00 0.00 H +HETATM 1193 OW SOL C 332 58.307 48.184 52.882 0.00 0.00 O +HETATM 1194 HW SOL C 332 58.808 48.946 53.267 0.00 0.00 H +HETATM 1195 HW SOL C 332 57.414 48.556 52.668 0.00 0.00 H +HETATM 1196 OW SOL C 333 52.297 54.213 44.942 0.00 0.00 O +HETATM 1197 HW SOL C 333 52.584 53.387 44.479 0.00 0.00 H +HETATM 1198 HW SOL C 333 52.083 54.847 44.211 0.00 0.00 H +HETATM 1199 OW SOL C 334 57.159 28.559 21.496 0.00 0.00 O +HETATM 1200 HW SOL C 334 56.612 28.375 20.692 0.00 0.00 H +HETATM 1201 HW SOL C 334 57.230 29.546 21.529 0.00 0.00 H +HETATM 1202 OW SOL C 335 58.080 49.015 26.247 0.00 0.00 O +HETATM 1203 HW SOL C 335 58.091 49.104 27.233 0.00 0.00 H +HETATM 1204 HW SOL C 335 59.008 48.765 26.009 0.00 0.00 H +HETATM 1205 OW SOL C 336 36.376 55.964 23.440 0.00 0.00 O +HETATM 1206 HW SOL C 336 37.172 56.553 23.440 0.00 0.00 H +HETATM 1207 HW SOL C 336 35.606 56.587 23.430 0.00 0.00 H +HETATM 1208 OW SOL C 337 34.060 52.818 51.305 0.00 0.00 O +HETATM 1209 HW SOL C 337 34.963 52.910 50.909 0.00 0.00 H +HETATM 1210 HW SOL C 337 34.192 52.228 52.090 0.00 0.00 H +HETATM 1211 OW SOL C 338 20.640 33.064 6.225 0.00 0.00 O +HETATM 1212 HW SOL C 338 20.486 33.929 6.681 0.00 0.00 H +HETATM 1213 HW SOL C 338 21.585 33.104 5.931 0.00 0.00 H +HETATM 1214 OW SOL C 339 22.406 36.956 44.655 0.00 0.00 O +HETATM 1215 HW SOL C 339 22.022 36.970 43.742 0.00 0.00 H +HETATM 1216 HW SOL C 339 21.684 36.589 45.223 0.00 0.00 H +HETATM 1217 OW SOL C 340 2.289 4.160 4.702 0.00 0.00 O +HETATM 1218 HW SOL C 340 2.837 4.861 4.267 0.00 0.00 H +HETATM 1219 HW SOL C 340 2.851 3.346 4.661 0.00 0.00 H +HETATM 1220 OW SOL C 341 18.278 19.876 52.458 0.00 0.00 O +HETATM 1221 HW SOL C 341 17.677 19.368 53.059 0.00 0.00 H +HETATM 1222 HW SOL C 341 18.637 20.606 53.024 0.00 0.00 H +HETATM 1223 OW SOL C 342 44.521 3.956 35.918 0.00 0.00 O +HETATM 1224 HW SOL C 342 43.832 4.667 35.942 0.00 0.00 H +HETATM 1225 HW SOL C 342 45.382 4.442 35.973 0.00 0.00 H +HETATM 1226 OW SOL C 343 6.521 43.069 13.180 0.00 0.00 O +HETATM 1227 HW SOL C 343 6.707 42.780 14.109 0.00 0.00 H +HETATM 1228 HW SOL C 343 6.632 44.053 13.199 0.00 0.00 H +HETATM 1229 OW SOL C 344 26.674 52.844 14.222 0.00 0.00 O +HETATM 1230 HW SOL C 344 27.197 52.889 13.383 0.00 0.00 H +HETATM 1231 HW SOL C 344 27.351 52.913 14.942 0.00 0.00 H +HETATM 1232 OW SOL C 345 51.277 45.851 7.820 0.00 0.00 O +HETATM 1233 HW SOL C 345 50.564 46.194 7.225 0.00 0.00 H +HETATM 1234 HW SOL C 345 51.407 46.568 8.491 0.00 0.00 H +HETATM 1235 OW SOL C 346 36.848 5.074 12.355 0.00 0.00 O +HETATM 1236 HW SOL C 346 36.219 5.609 12.901 0.00 0.00 H +HETATM 1237 HW SOL C 346 36.266 4.487 11.810 0.00 0.00 H +HETATM 1238 OW SOL C 347 48.357 20.059 30.621 0.00 0.00 O +HETATM 1239 HW SOL C 347 47.398 19.919 30.825 0.00 0.00 H +HETATM 1240 HW SOL C 347 48.705 20.562 31.400 0.00 0.00 H +HETATM 1241 OW SOL C 348 36.227 47.283 19.999 0.00 0.00 O +HETATM 1242 HW SOL C 348 35.888 48.213 19.970 0.00 0.00 H +HETATM 1243 HW SOL C 348 37.045 47.300 19.439 0.00 0.00 H +HETATM 1244 OW SOL C 349 1.874 34.483 48.955 0.00 0.00 O +HETATM 1245 HW SOL C 349 1.236 33.963 48.405 0.00 0.00 H +HETATM 1246 HW SOL C 349 2.392 33.798 49.449 0.00 0.00 H +HETATM 1247 OW SOL C 350 19.273 45.147 19.148 0.00 0.00 O +HETATM 1248 HW SOL C 350 20.019 45.773 18.970 0.00 0.00 H +HETATM 1249 HW SOL C 350 19.666 44.248 19.015 0.00 0.00 H +HETATM 1250 OW SOL C 351 27.091 58.415 34.150 0.00 0.00 O +HETATM 1251 HW SOL C 351 26.932 57.439 34.202 0.00 0.00 H +HETATM 1252 HW SOL C 351 26.963 58.737 35.078 0.00 0.00 H +HETATM 1253 OW SOL C 352 27.784 24.839 50.501 0.00 0.00 O +HETATM 1254 HW SOL C 352 28.758 24.815 50.678 0.00 0.00 H +HETATM 1255 HW SOL C 352 27.501 23.890 50.541 0.00 0.00 H +HETATM 1256 OW SOL C 353 57.599 10.566 46.110 0.00 0.00 O +HETATM 1257 HW SOL C 353 57.711 9.598 46.285 0.00 0.00 H +HETATM 1258 HW SOL C 353 58.523 10.907 46.003 0.00 0.00 H +HETATM 1259 OW SOL C 354 21.072 19.694 8.047 0.00 0.00 O +HETATM 1260 HW SOL C 354 21.889 19.171 8.247 0.00 0.00 H +HETATM 1261 HW SOL C 354 20.451 19.038 7.639 0.00 0.00 H +HETATM 1262 OW SOL C 355 30.489 42.042 54.897 0.00 0.00 O +HETATM 1263 HW SOL C 355 29.815 42.720 54.641 0.00 0.00 H +HETATM 1264 HW SOL C 355 30.356 41.303 54.251 0.00 0.00 H +HETATM 1265 OW SOL C 356 16.614 2.797 25.916 0.00 0.00 O +HETATM 1266 HW SOL C 356 16.848 1.837 25.858 0.00 0.00 H +HETATM 1267 HW SOL C 356 15.623 2.811 25.919 0.00 0.00 H +HETATM 1268 OW SOL C 357 16.262 19.928 36.991 0.00 0.00 O +HETATM 1269 HW SOL C 357 16.681 19.675 37.851 0.00 0.00 H +HETATM 1270 HW SOL C 357 15.289 19.857 37.159 0.00 0.00 H +HETATM 1271 OW SOL C 358 3.705 0.115 56.190 0.00 0.00 O +HETATM 1272 HW SOL C 358 3.271 0.985 56.003 0.00 0.00 H 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HW SOL C 364 38.230 40.181 8.746 0.00 0.00 H +HETATM 1291 HW SOL C 364 38.911 41.232 9.687 0.00 0.00 H +HETATM 1292 OW SOL C 365 50.984 50.674 41.016 0.00 0.00 O +HETATM 1293 HW SOL C 365 50.883 50.231 40.136 0.00 0.00 H +HETATM 1294 HW SOL C 365 50.155 51.205 41.123 0.00 0.00 H +HETATM 1295 OW SOL C 366 50.262 3.377 54.623 0.00 0.00 O +HETATM 1296 HW SOL C 366 50.042 4.257 54.226 0.00 0.00 H +HETATM 1297 HW SOL C 366 50.899 3.586 55.352 0.00 0.00 H +HETATM 1298 OW SOL C 367 37.640 59.364 35.412 0.00 0.00 O +HETATM 1299 HW SOL C 367 38.394 59.992 35.278 0.00 0.00 H +HETATM 1300 HW SOL C 367 36.861 59.948 35.597 0.00 0.00 H +HETATM 1301 OW SOL C 368 8.921 18.927 37.069 0.00 0.00 O +HETATM 1302 HW SOL C 368 9.487 18.231 36.650 0.00 0.00 H +HETATM 1303 HW SOL C 368 9.453 19.759 36.993 0.00 0.00 H +HETATM 1304 OW SOL C 369 23.622 50.787 10.728 0.00 0.00 O +HETATM 1305 HW SOL C 369 22.881 50.293 11.162 0.00 0.00 H +HETATM 1306 HW SOL C 369 24.314 50.099 10.558 0.00 0.00 H +HETATM 1307 OW 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38.406 17.531 0.00 0.00 H +HETATM 1393 HW SOL C 398 48.089 37.733 16.117 0.00 0.00 H +HETATM 1394 OW SOL C 399 47.511 8.516 25.164 0.00 0.00 O +HETATM 1395 HW SOL C 399 47.229 7.763 24.587 0.00 0.00 H +HETATM 1396 HW SOL C 399 48.422 8.742 24.849 0.00 0.00 H +HETATM 1397 OW SOL C 400 59.305 54.584 17.946 0.00 0.00 O +HETATM 1398 HW SOL C 400 59.887 55.380 18.033 0.00 0.00 H +HETATM 1399 HW SOL C 400 59.928 53.841 17.743 0.00 0.00 H +HETATM 1400 OW SOL C 401 33.939 55.510 6.041 0.00 0.00 O +HETATM 1401 HW SOL C 401 33.433 56.322 6.296 0.00 0.00 H +HETATM 1402 HW SOL C 401 33.242 54.839 5.829 0.00 0.00 H +HETATM 1403 OW SOL C 402 1.819 41.407 15.071 0.00 0.00 O +HETATM 1404 HW SOL C 402 2.061 42.086 14.392 0.00 0.00 H +HETATM 1405 HW SOL C 402 2.379 40.621 14.846 0.00 0.00 H +HETATM 1406 OW SOL C 403 38.369 47.180 36.749 0.00 0.00 O +HETATM 1407 HW SOL C 403 38.698 46.778 35.906 0.00 0.00 H +HETATM 1408 HW SOL C 403 39.171 47.598 37.154 0.00 0.00 H +HETATM 1409 OW SOL C 404 20.198 35.343 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55.782 0.00 0.00 H +HETATM 1427 OW SOL C 410 27.784 59.770 19.774 0.00 0.00 O +HETATM 1428 HW SOL C 410 28.668 59.330 19.856 0.00 0.00 H +HETATM 1429 HW SOL C 410 27.309 59.530 20.610 0.00 0.00 H +HETATM 1430 OW SOL C 411 49.735 48.580 55.573 0.00 0.00 O +HETATM 1431 HW SOL C 411 49.974 49.540 55.614 0.00 0.00 H +HETATM 1432 HW SOL C 411 48.769 48.574 55.354 0.00 0.00 H +HETATM 1433 OW SOL C 412 30.304 54.921 45.464 0.00 0.00 O +HETATM 1434 HW SOL C 412 30.370 54.656 46.415 0.00 0.00 H +HETATM 1435 HW SOL C 412 30.828 54.236 44.978 0.00 0.00 H +HETATM 1436 OW SOL C 413 49.605 29.734 54.332 0.00 0.00 O +HETATM 1437 HW SOL C 413 49.952 29.703 55.258 0.00 0.00 H +HETATM 1438 HW SOL C 413 48.700 30.128 54.418 0.00 0.00 H +HETATM 1439 OW SOL C 414 55.022 31.059 37.709 0.00 0.00 O +HETATM 1440 HW SOL C 414 55.620 30.836 38.465 0.00 0.00 H +HETATM 1441 HW SOL C 414 54.848 32.029 37.807 0.00 0.00 H +HETATM 1442 OW SOL C 415 8.909 12.854 16.539 0.00 0.00 O +HETATM 1443 HW SOL C 415 9.461 13.300 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0.00 O +HETATM 1461 HW SOL C 421 32.966 13.666 4.023 0.00 0.00 H +HETATM 1462 HW SOL C 421 32.185 12.329 3.789 0.00 0.00 H +HETATM 1463 OW SOL C 422 15.707 59.292 41.613 0.00 0.00 O +HETATM 1464 HW SOL C 422 14.724 59.180 41.649 0.00 0.00 H +HETATM 1465 HW SOL C 422 16.008 59.150 42.546 0.00 0.00 H +HETATM 1466 OW SOL C 423 46.124 1.583 58.430 0.00 0.00 O +HETATM 1467 HW SOL C 423 45.181 1.353 58.236 0.00 0.00 H +HETATM 1468 HW SOL C 423 46.651 1.020 57.809 0.00 0.00 H +HETATM 1469 OW SOL C 424 32.292 56.474 49.815 0.00 0.00 O +HETATM 1470 HW SOL C 424 31.788 56.376 50.661 0.00 0.00 H +HETATM 1471 HW SOL C 424 32.865 57.269 49.957 0.00 0.00 H +HETATM 1472 OW SOL C 425 29.398 35.989 52.580 0.00 0.00 O +HETATM 1473 HW SOL C 425 29.036 36.898 52.432 0.00 0.00 H +HETATM 1474 HW SOL C 425 30.292 36.140 52.978 0.00 0.00 H +HETATM 1475 OW SOL C 426 1.821 22.228 30.544 0.00 0.00 O +HETATM 1476 HW SOL C 426 2.349 22.873 30.010 0.00 0.00 H +HETATM 1477 HW SOL C 426 2.372 21.405 30.554 0.00 0.00 H +HETATM 1478 OW SOL C 427 17.515 8.443 20.660 0.00 0.00 O +HETATM 1479 HW SOL C 427 18.021 9.293 20.643 0.00 0.00 H +HETATM 1480 HW SOL C 427 16.612 8.685 20.334 0.00 0.00 H +HETATM 1481 OW SOL C 428 17.516 33.390 59.330 0.00 0.00 O +HETATM 1482 HW SOL C 428 16.584 33.582 59.604 0.00 0.00 H +HETATM 1483 HW SOL C 428 17.454 32.547 58.814 0.00 0.00 H +HETATM 1484 OW SOL C 429 35.579 51.043 0.946 0.00 0.00 O +HETATM 1485 HW SOL C 429 36.267 50.503 0.482 0.00 0.00 H +HETATM 1486 HW SOL C 429 35.915 51.973 0.891 0.00 0.00 H +HETATM 1487 OW SOL C 430 8.341 55.567 34.484 0.00 0.00 O +HETATM 1488 HW SOL C 430 9.242 55.966 34.575 0.00 0.00 H +HETATM 1489 HW SOL C 430 8.452 54.629 34.783 0.00 0.00 H +HETATM 1490 OW SOL C 431 56.212 39.139 1.877 0.00 0.00 O +HETATM 1491 HW SOL C 431 56.434 38.201 1.652 0.00 0.00 H +HETATM 1492 HW SOL C 431 57.088 39.563 2.063 0.00 0.00 H +HETATM 1493 OW SOL C 432 53.598 4.061 53.062 0.00 0.00 O +HETATM 1494 HW SOL C 432 52.680 4.059 52.691 0.00 0.00 H +HETATM 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1512 HW SOL C 438 17.034 55.792 32.368 0.00 0.00 H +HETATM 1513 HW SOL C 438 17.780 54.976 31.258 0.00 0.00 H +HETATM 1514 OW SOL C 439 10.696 7.210 40.635 0.00 0.00 O +HETATM 1515 HW SOL C 439 10.720 7.067 39.656 0.00 0.00 H +HETATM 1516 HW SOL C 439 11.597 6.942 40.947 0.00 0.00 H +HETATM 1517 OW SOL C 440 56.692 52.563 49.207 0.00 0.00 O +HETATM 1518 HW SOL C 440 55.986 53.013 48.680 0.00 0.00 H +HETATM 1519 HW SOL C 440 57.323 53.287 49.448 0.00 0.00 H +HETATM 1520 OW SOL C 441 15.305 10.432 24.877 0.00 0.00 O +HETATM 1521 HW SOL C 441 15.727 9.545 24.751 0.00 0.00 H +HETATM 1522 HW SOL C 441 14.337 10.267 24.747 0.00 0.00 H +HETATM 1523 OW SOL C 442 59.264 52.315 29.140 0.00 0.00 O +HETATM 1524 HW SOL C 442 59.063 51.384 28.870 0.00 0.00 H +HETATM 1525 HW SOL C 442 58.521 52.564 29.745 0.00 0.00 H +HETATM 1526 OW SOL C 443 57.271 32.818 14.070 0.00 0.00 O +HETATM 1527 HW SOL C 443 57.513 32.992 15.014 0.00 0.00 H +HETATM 1528 HW SOL C 443 58.085 33.055 13.557 0.00 0.00 H +HETATM 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461 35.538 58.770 24.877 0.00 0.00 O +HETATM 1581 HW SOL C 461 36.306 58.589 24.280 0.00 0.00 H +HETATM 1582 HW SOL C 461 35.855 59.489 25.480 0.00 0.00 H +HETATM 1583 OW SOL C 462 41.867 17.525 26.239 0.00 0.00 O +HETATM 1584 HW SOL C 462 42.747 17.368 26.664 0.00 0.00 H +HETATM 1585 HW SOL C 462 41.370 16.679 26.377 0.00 0.00 H +HETATM 1586 OW SOL C 463 43.943 22.438 8.539 0.00 0.00 O +HETATM 1587 HW SOL C 463 44.332 22.104 7.692 0.00 0.00 H +HETATM 1588 HW SOL C 463 43.675 21.620 9.029 0.00 0.00 H +HETATM 1589 OW SOL C 464 34.175 22.712 14.001 0.00 0.00 O +HETATM 1590 HW SOL C 464 33.967 23.128 13.127 0.00 0.00 H +HETATM 1591 HW SOL C 464 33.623 23.214 14.652 0.00 0.00 H +HETATM 1592 OW SOL C 465 52.659 53.803 56.159 0.00 0.00 O +HETATM 1593 HW SOL C 465 53.644 53.706 56.150 0.00 0.00 H +HETATM 1594 HW SOL C 465 52.487 54.538 56.800 0.00 0.00 H +HETATM 1595 OW SOL C 466 50.132 7.623 39.337 0.00 0.00 O +HETATM 1596 HW SOL C 466 50.444 7.015 38.620 0.00 0.00 H +HETATM 1597 HW SOL C 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8.696 54.398 37.988 0.00 0.00 H +HETATM 1615 HW SOL C 472 8.992 54.341 39.525 0.00 0.00 H +HETATM 1616 OW SOL C 473 52.533 58.794 35.615 0.00 0.00 O +HETATM 1617 HW SOL C 473 51.716 58.802 35.055 0.00 0.00 H +HETATM 1618 HW SOL C 473 52.835 57.851 35.598 0.00 0.00 H +HETATM 1619 OW SOL C 474 10.771 52.331 38.593 0.00 0.00 O +HETATM 1620 HW SOL C 474 11.595 51.804 38.748 0.00 0.00 H +HETATM 1621 HW SOL C 474 11.082 53.141 38.114 0.00 0.00 H +HETATM 1622 OW SOL C 475 15.127 15.999 26.153 0.00 0.00 O +HETATM 1623 HW SOL C 475 14.183 15.712 26.080 0.00 0.00 H +HETATM 1624 HW SOL C 475 15.644 15.154 26.154 0.00 0.00 H +HETATM 1625 OW SOL C 476 42.057 51.647 2.656 0.00 0.00 O +HETATM 1626 HW SOL C 476 42.569 52.481 2.803 0.00 0.00 H +HETATM 1627 HW SOL C 476 41.112 51.941 2.608 0.00 0.00 H +HETATM 1628 OW SOL C 477 54.152 43.864 51.433 0.00 0.00 O +HETATM 1629 HW SOL C 477 53.455 44.395 51.894 0.00 0.00 H +HETATM 1630 HW SOL C 477 54.779 44.539 51.071 0.00 0.00 H +HETATM 1631 OW SOL C 478 4.953 49.774 50.680 0.00 0.00 O +HETATM 1632 HW SOL C 478 5.256 50.440 50.013 0.00 0.00 H +HETATM 1633 HW SOL C 478 4.303 49.209 50.190 0.00 0.00 H +HETATM 1634 OW SOL C 479 17.496 2.830 44.738 0.00 0.00 O +HETATM 1635 HW SOL C 479 18.373 2.930 44.289 0.00 0.00 H +HETATM 1636 HW SOL C 479 17.047 2.097 44.246 0.00 0.00 H +HETATM 1637 OW SOL C 480 19.336 47.446 7.076 0.00 0.00 O +HETATM 1638 HW SOL C 480 19.101 48.316 6.667 0.00 0.00 H +HETATM 1639 HW SOL C 480 20.103 47.649 7.669 0.00 0.00 H +HETATM 1640 OW SOL C 481 27.927 25.797 48.046 0.00 0.00 O +HETATM 1641 HW SOL C 481 28.607 25.676 47.337 0.00 0.00 H +HETATM 1642 HW SOL C 481 27.106 25.387 47.676 0.00 0.00 H +HETATM 1643 OW SOL C 482 30.532 21.299 18.472 0.00 0.00 O +HETATM 1644 HW SOL C 482 31.425 20.871 18.483 0.00 0.00 H +HETATM 1645 HW SOL C 482 30.723 22.271 18.468 0.00 0.00 H +HETATM 1646 OW SOL C 483 56.208 4.720 53.406 0.00 0.00 O +HETATM 1647 HW SOL C 483 55.616 5.510 53.338 0.00 0.00 H +HETATM 1648 HW SOL C 483 56.949 4.909 52.776 0.00 0.00 H +HETATM 1649 OW SOL C 484 54.406 40.229 46.328 0.00 0.00 O +HETATM 1650 HW SOL C 484 55.071 40.050 45.616 0.00 0.00 H +HETATM 1651 HW SOL C 484 54.932 40.636 47.062 0.00 0.00 H +HETATM 1652 OW SOL C 485 6.405 51.475 42.098 0.00 0.00 O +HETATM 1653 HW SOL C 485 5.825 52.242 41.859 0.00 0.00 H +HETATM 1654 HW SOL C 485 5.790 50.819 42.513 0.00 0.00 H +HETATM 1655 OW SOL C 486 46.377 54.150 22.759 0.00 0.00 O +HETATM 1656 HW SOL C 486 47.238 54.515 23.083 0.00 0.00 H +HETATM 1657 HW SOL C 486 46.472 53.169 22.854 0.00 0.00 H +HETATM 1658 OW SOL C 487 21.936 53.019 53.883 0.00 0.00 O +HETATM 1659 HW SOL C 487 21.976 52.113 54.280 0.00 0.00 H +HETATM 1660 HW SOL C 487 22.621 53.007 53.167 0.00 0.00 H +HETATM 1661 OW SOL C 488 40.622 10.975 32.237 0.00 0.00 O +HETATM 1662 HW SOL C 488 41.416 10.392 32.140 0.00 0.00 H +HETATM 1663 HW SOL C 488 40.869 11.613 32.953 0.00 0.00 H +HETATM 1664 OW SOL C 489 16.889 44.222 43.221 0.00 0.00 O +HETATM 1665 HW SOL C 489 16.380 43.965 44.031 0.00 0.00 H +HETATM 1666 HW SOL C 489 17.733 44.606 43.569 0.00 0.00 H +HETATM 1667 OW SOL C 490 50.148 27.037 14.207 0.00 0.00 O +HETATM 1668 HW SOL C 490 50.667 26.216 14.014 0.00 0.00 H +HETATM 1669 HW SOL C 490 50.822 27.690 14.522 0.00 0.00 H +HETATM 1670 OW SOL C 491 24.350 40.721 17.195 0.00 0.00 O +HETATM 1671 HW SOL C 491 25.073 40.053 17.088 0.00 0.00 H +HETATM 1672 HW SOL C 491 24.816 41.549 17.474 0.00 0.00 H +HETATM 1673 OW SOL C 492 5.566 22.872 32.817 0.00 0.00 O +HETATM 1674 HW SOL C 492 5.247 22.081 32.316 0.00 0.00 H +HETATM 1675 HW SOL C 492 6.334 23.208 32.290 0.00 0.00 H +HETATM 1676 OW SOL C 493 4.418 30.346 50.368 0.00 0.00 O +HETATM 1677 HW SOL C 493 4.612 29.381 50.475 0.00 0.00 H +HETATM 1678 HW SOL C 493 3.852 30.574 51.148 0.00 0.00 H +HETATM 1679 OW SOL C 494 27.116 7.964 11.485 0.00 0.00 O +HETATM 1680 HW SOL C 494 27.708 8.606 11.950 0.00 0.00 H +HETATM 1681 HW SOL C 494 27.501 7.075 11.693 0.00 0.00 H +HETATM 1682 OW SOL C 495 45.186 47.061 17.376 0.00 0.00 O +HETATM 1683 HW SOL C 495 45.797 47.771 17.057 0.00 0.00 H +HETATM 1684 HW SOL C 495 45.785 46.326 17.660 0.00 0.00 H +HETATM 1685 OW SOL C 496 20.598 40.404 58.820 0.00 0.00 O +HETATM 1686 HW SOL C 496 20.656 39.416 58.831 0.00 0.00 H +HETATM 1687 HW SOL C 496 19.626 40.596 58.832 0.00 0.00 H +HETATM 1688 OW SOL C 497 10.001 58.318 10.332 0.00 0.00 O +HETATM 1689 HW SOL C 497 10.796 57.750 10.170 0.00 0.00 H +HETATM 1690 HW SOL C 497 10.238 59.195 9.936 0.00 0.00 H +HETATM 1691 OW SOL C 498 14.148 13.307 45.748 0.00 0.00 O +HETATM 1692 HW SOL C 498 14.327 13.152 44.786 0.00 0.00 H +HETATM 1693 HW SOL C 498 13.168 13.437 45.800 0.00 0.00 H +HETATM 1694 OW SOL C 499 50.365 32.546 9.261 0.00 0.00 O +HETATM 1695 HW SOL C 499 50.098 32.649 8.313 0.00 0.00 H +HETATM 1696 HW SOL C 499 49.630 32.023 9.670 0.00 0.00 H +HETATM 1697 OW SOL C 500 27.110 58.712 47.937 0.00 0.00 O +HETATM 1698 HW SOL C 500 27.536 59.055 47.111 0.00 0.00 H +HETATM 1699 HW SOL C 500 27.869 58.511 48.542 0.00 0.00 H +HETATM 1700 OW SOL C 501 14.918 24.758 53.180 0.00 0.00 O +HETATM 1701 HW SOL C 501 14.081 24.369 53.538 0.00 0.00 H +HETATM 1702 HW SOL C 501 14.744 24.873 52.212 0.00 0.00 H +HETATM 1703 OW SOL C 502 58.312 0.844 18.265 0.00 0.00 O +HETATM 1704 HW SOL C 502 57.796 1.677 18.401 0.00 0.00 H +HETATM 1705 HW SOL C 502 59.241 1.084 18.509 0.00 0.00 H +HETATM 1706 OW SOL C 503 24.504 33.092 56.899 0.00 0.00 O +HETATM 1707 HW SOL C 503 24.879 33.431 56.048 0.00 0.00 H +HETATM 1708 HW SOL C 503 25.045 33.531 57.602 0.00 0.00 H +HETATM 1709 OW SOL C 504 14.031 19.024 49.996 0.00 0.00 O +HETATM 1710 HW SOL C 504 14.597 18.454 49.417 0.00 0.00 H +HETATM 1711 HW SOL C 504 13.147 19.029 49.550 0.00 0.00 H +HETATM 1712 OW SOL C 505 39.924 20.635 50.681 0.00 0.00 O +HETATM 1713 HW SOL C 505 40.146 19.749 51.064 0.00 0.00 H +HETATM 1714 HW SOL C 505 39.345 21.062 51.361 0.00 0.00 H +HETATM 1715 OW SOL C 506 19.527 27.162 17.272 0.00 0.00 O +HETATM 1716 HW SOL C 506 18.572 26.920 17.375 0.00 0.00 H +HETATM 1717 HW SOL C 506 19.918 26.416 16.752 0.00 0.00 H +HETATM 1718 OW SOL C 507 29.915 43.331 50.744 0.00 0.00 O +HETATM 1719 HW SOL C 507 30.489 42.672 51.210 0.00 0.00 H +HETATM 1720 HW SOL C 507 30.553 43.963 50.325 0.00 0.00 H +HETATM 1721 OW SOL C 508 13.339 11.125 50.258 0.00 0.00 O +HETATM 1722 HW SOL C 508 13.863 10.292 50.148 0.00 0.00 H +HETATM 1723 HW SOL C 508 13.154 11.174 51.230 0.00 0.00 H +HETATM 1724 OW SOL C 509 24.397 11.384 53.449 0.00 0.00 O +HETATM 1725 HW SOL C 509 23.412 11.321 53.376 0.00 0.00 H +HETATM 1726 HW SOL C 509 24.582 12.356 53.480 0.00 0.00 H +HETATM 1727 OW SOL C 510 24.859 56.883 42.942 0.00 0.00 O +HETATM 1728 HW SOL C 510 25.636 57.441 43.196 0.00 0.00 H +HETATM 1729 HW SOL C 510 24.073 57.383 43.279 0.00 0.00 H +HETATM 1730 OW SOL C 511 30.590 33.403 48.653 0.00 0.00 O +HETATM 1731 HW SOL C 511 30.132 33.841 47.893 0.00 0.00 H +HETATM 1732 HW SOL C 511 31.283 32.834 48.232 0.00 0.00 H +HETATM 1733 OW SOL C 512 11.626 19.903 29.155 0.00 0.00 O +HETATM 1734 HW SOL C 512 11.434 20.817 29.484 0.00 0.00 H +HETATM 1735 HW SOL C 512 10.764 19.588 28.782 0.00 0.00 H +HETATM 1736 OW SOL C 513 51.375 46.096 50.928 0.00 0.00 O +HETATM 1737 HW SOL C 513 50.844 45.999 50.098 0.00 0.00 H +HETATM 1738 HW SOL C 513 51.365 45.193 51.336 0.00 0.00 H +HETATM 1739 OW SOL C 514 22.792 34.412 37.099 0.00 0.00 O +HETATM 1740 HW SOL C 514 23.409 33.654 37.254 0.00 0.00 H +HETATM 1741 HW SOL C 514 21.888 34.010 37.143 0.00 0.00 H +HETATM 1742 OW SOL C 515 53.714 50.052 4.645 0.00 0.00 O +HETATM 1743 HW SOL C 515 53.745 50.782 3.976 0.00 0.00 H +HETATM 1744 HW SOL C 515 53.882 50.502 5.511 0.00 0.00 H +HETATM 1745 OW SOL C 516 22.345 55.868 18.500 0.00 0.00 O +HETATM 1746 HW SOL C 516 21.871 55.001 18.568 0.00 0.00 H +HETATM 1747 HW SOL C 516 21.647 56.510 18.216 0.00 0.00 H +HETATM 1748 OW SOL C 517 36.505 37.780 13.647 0.00 0.00 O +HETATM 1749 HW SOL C 517 37.304 37.308 13.301 0.00 0.00 H +HETATM 1750 HW SOL C 517 35.882 37.055 13.908 0.00 0.00 H +HETATM 1751 OW SOL C 518 37.972 27.092 7.051 0.00 0.00 O +HETATM 1752 HW SOL C 518 38.664 27.744 7.326 0.00 0.00 H +HETATM 1753 HW SOL C 518 37.112 27.545 7.243 0.00 0.00 H +HETATM 1754 OW SOL C 519 22.117 26.435 38.938 0.00 0.00 O +HETATM 1755 HW SOL C 519 21.693 25.546 39.039 0.00 0.00 H +HETATM 1756 HW SOL C 519 21.476 27.064 39.356 0.00 0.00 H +HETATM 1757 OW SOL C 520 0.818 26.092 59.805 0.00 0.00 O +HETATM 1758 HW SOL C 520 1.392 26.895 59.874 0.00 0.00 H +HETATM 1759 HW SOL C 520 1.455 25.336 59.739 0.00 0.00 H +HETATM 1760 OW SOL C 521 54.125 30.554 22.710 0.00 0.00 O +HETATM 1761 HW SOL C 521 54.012 29.608 22.441 0.00 0.00 H +HETATM 1762 HW SOL C 521 54.966 30.565 23.233 0.00 0.00 H +HETATM 1763 OW SOL C 522 42.173 3.195 25.181 0.00 0.00 O +HETATM 1764 HW SOL C 522 42.109 2.228 25.384 0.00 0.00 H +HETATM 1765 HW SOL C 522 42.220 3.632 26.069 0.00 0.00 H +HETATM 1766 OW SOL C 523 48.579 5.527 0.603 0.00 0.00 O +HETATM 1767 HW SOL C 523 49.082 4.722 0.882 0.00 0.00 H +HETATM 1768 HW SOL C 523 48.115 5.827 1.425 0.00 0.00 H +HETATM 1769 OW SOL C 524 57.623 56.818 23.582 0.00 0.00 O +HETATM 1770 HW SOL C 524 57.477 57.795 23.513 0.00 0.00 H +HETATM 1771 HW SOL C 524 58.606 56.718 23.644 0.00 0.00 H +HETATM 1772 OW SOL C 525 20.901 45.655 8.809 0.00 0.00 O +HETATM 1773 HW SOL C 525 21.306 44.757 8.705 0.00 0.00 H +HETATM 1774 HW SOL C 525 21.674 46.274 8.832 0.00 0.00 H +HETATM 1775 OW SOL C 526 41.729 37.638 21.775 0.00 0.00 O +HETATM 1776 HW SOL C 526 41.104 37.389 22.501 0.00 0.00 H +HETATM 1777 HW SOL C 526 41.507 37.021 21.033 0.00 0.00 H +HETATM 1778 OW SOL C 527 9.239 58.892 7.724 0.00 0.00 O +HETATM 1779 HW SOL C 527 8.802 58.004 7.725 0.00 0.00 H +HETATM 1780 HW SOL C 527 10.209 58.692 7.724 0.00 0.00 H +HETATM 1781 OW SOL C 528 40.511 4.589 8.314 0.00 0.00 O +HETATM 1782 HW SOL C 528 40.226 5.167 9.066 0.00 0.00 H +HETATM 1783 HW SOL C 528 41.448 4.349 8.526 0.00 0.00 H +HETATM 1784 OW SOL C 529 14.483 43.582 34.869 0.00 0.00 O +HETATM 1785 HW SOL C 529 13.911 42.823 34.591 0.00 0.00 H +HETATM 1786 HW SOL C 529 14.312 44.283 34.191 0.00 0.00 H +HETATM 1787 OW SOL C 530 29.576 51.409 49.852 0.00 0.00 O +HETATM 1788 HW SOL C 530 29.613 50.420 49.844 0.00 0.00 H +HETATM 1789 HW SOL C 530 30.525 51.693 49.878 0.00 0.00 H +HETATM 1790 OW SOL C 531 24.102 36.979 53.491 0.00 0.00 O +HETATM 1791 HW SOL C 531 24.722 36.251 53.236 0.00 0.00 H +HETATM 1792 HW SOL C 531 24.677 37.650 53.938 0.00 0.00 H +HETATM 1793 OW SOL C 532 49.599 11.446 16.211 0.00 0.00 O +HETATM 1794 HW SOL C 532 49.741 11.619 15.247 0.00 0.00 H +HETATM 1795 HW SOL C 532 49.337 10.492 16.256 0.00 0.00 H +HETATM 1796 OW SOL C 533 48.363 19.994 18.125 0.00 0.00 O +HETATM 1797 HW SOL C 533 49.341 19.952 18.271 0.00 0.00 H +HETATM 1798 HW SOL C 533 48.089 19.050 18.005 0.00 0.00 H +HETATM 1799 OW SOL C 534 22.474 25.381 21.474 0.00 0.00 O +HETATM 1800 HW SOL C 534 21.927 24.634 21.125 0.00 0.00 H +HETATM 1801 HW SOL C 534 22.958 24.995 22.247 0.00 0.00 H +HETATM 1802 OW SOL C 535 37.422 21.520 59.243 0.00 0.00 O +HETATM 1803 HW SOL C 535 37.093 20.750 59.771 0.00 0.00 H +HETATM 1804 HW SOL C 535 37.889 22.092 59.903 0.00 0.00 H +HETATM 1805 OW SOL C 536 53.742 8.639 38.207 0.00 0.00 O +HETATM 1806 HW SOL C 536 53.916 8.968 37.290 0.00 0.00 H +HETATM 1807 HW SOL C 536 54.586 8.195 38.476 0.00 0.00 H +HETATM 1808 OW SOL C 537 47.990 16.168 57.331 0.00 0.00 O +HETATM 1809 HW SOL C 537 47.251 15.614 57.688 0.00 0.00 H +HETATM 1810 HW SOL C 537 48.616 15.516 56.926 0.00 0.00 H +HETATM 1811 OW SOL C 538 14.820 57.856 45.701 0.00 0.00 O +HETATM 1812 HW SOL C 538 14.083 57.270 46.007 0.00 0.00 H +HETATM 1813 HW SOL C 538 14.366 58.658 45.339 0.00 0.00 H +HETATM 1814 OW SOL C 539 40.332 58.116 27.692 0.00 0.00 O +HETATM 1815 HW SOL C 539 40.879 58.871 28.025 0.00 0.00 H +HETATM 1816 HW SOL C 539 40.899 57.316 27.834 0.00 0.00 H +HETATM 1817 OW SOL C 540 35.375 15.110 9.404 0.00 0.00 O +HETATM 1818 HW SOL C 540 35.597 14.145 9.381 0.00 0.00 H +HETATM 1819 HW SOL C 540 34.399 15.145 9.237 0.00 0.00 H +HETATM 1820 OW SOL C 541 28.397 38.219 11.963 0.00 0.00 O +HETATM 1821 HW SOL C 541 28.980 38.282 12.761 0.00 0.00 H +HETATM 1822 HW SOL C 541 28.440 39.119 11.552 0.00 0.00 H +HETATM 1823 OW SOL C 542 7.133 10.509 35.881 0.00 0.00 O +HETATM 1824 HW SOL C 542 7.284 11.484 35.960 0.00 0.00 H +HETATM 1825 HW SOL C 542 8.043 10.122 35.815 0.00 0.00 H +HETATM 1826 OW SOL C 543 48.354 29.867 20.597 0.00 0.00 O +HETATM 1827 HW SOL C 543 47.882 30.721 20.429 0.00 0.00 H +HETATM 1828 HW SOL C 543 48.989 30.074 21.329 0.00 0.00 H +HETATM 1829 OW SOL C 544 10.533 16.236 10.761 0.00 0.00 O +HETATM 1830 HW SOL C 544 10.693 15.311 10.448 0.00 0.00 H +HETATM 1831 HW SOL C 544 9.548 16.307 10.835 0.00 0.00 H +HETATM 1832 OW SOL C 545 43.266 30.039 57.625 0.00 0.00 O +HETATM 1833 HW SOL C 545 43.673 29.139 57.686 0.00 0.00 H +HETATM 1834 HW SOL C 545 42.290 29.871 57.609 0.00 0.00 H +HETATM 1835 OW SOL C 546 10.683 28.196 11.180 0.00 0.00 O +HETATM 1836 HW SOL C 546 11.094 29.095 11.134 0.00 0.00 H +HETATM 1837 HW SOL C 546 11.446 27.569 11.106 0.00 0.00 H +HETATM 1838 OW SOL C 547 39.594 10.657 54.406 0.00 0.00 O +HETATM 1839 HW SOL C 547 39.703 11.277 53.642 0.00 0.00 H +HETATM 1840 HW SOL C 547 40.464 10.188 54.472 0.00 0.00 H +HETATM 1841 OW SOL C 548 57.349 29.461 58.414 0.00 0.00 O +HETATM 1842 HW SOL C 548 57.846 28.970 59.116 0.00 0.00 H +HETATM 1843 HW SOL C 548 56.474 29.670 58.828 0.00 0.00 H +HETATM 1844 OW SOL C 549 29.001 49.326 11.050 0.00 0.00 O +HETATM 1845 HW SOL C 549 29.980 49.472 11.083 0.00 0.00 H +HETATM 1846 HW SOL C 549 28.890 48.352 11.195 0.00 0.00 H +HETATM 1847 OW SOL C 550 36.449 6.165 4.089 0.00 0.00 O +HETATM 1848 HW SOL C 550 35.492 6.325 3.892 0.00 0.00 H +HETATM 1849 HW SOL C 550 36.925 6.481 3.280 0.00 0.00 H +HETATM 1850 OW SOL C 551 35.581 59.472 13.365 0.00 0.00 O +HETATM 1851 HW SOL C 551 35.384 58.522 13.166 0.00 0.00 H +HETATM 1852 HW SOL C 551 34.950 59.710 14.091 0.00 0.00 H +HETATM 1853 OW SOL C 552 25.691 10.669 16.719 0.00 0.00 O +HETATM 1854 HW SOL C 552 26.352 10.985 17.384 0.00 0.00 H +HETATM 1855 HW SOL C 552 26.239 10.287 15.987 0.00 0.00 H +HETATM 1856 OW SOL C 553 10.833 25.780 58.976 0.00 0.00 O +HETATM 1857 HW SOL C 553 9.863 25.842 59.166 0.00 0.00 H +HETATM 1858 HW SOL C 553 11.111 24.920 59.381 0.00 0.00 H +HETATM 1859 OW SOL C 554 13.465 58.178 26.211 0.00 0.00 O +HETATM 1860 HW SOL C 554 14.003 57.423 25.864 0.00 0.00 H +HETATM 1861 HW SOL C 554 12.753 58.307 25.535 0.00 0.00 H +HETATM 1862 OW SOL C 555 1.530 27.546 16.921 0.00 0.00 O +HETATM 1863 HW SOL C 555 2.383 27.834 16.509 0.00 0.00 H +HETATM 1864 HW SOL C 555 0.980 28.368 16.954 0.00 0.00 H +HETATM 1865 OW SOL C 556 10.537 39.140 36.244 0.00 0.00 O +HETATM 1866 HW SOL C 556 10.263 38.987 35.305 0.00 0.00 H +HETATM 1867 HW SOL C 556 9.835 38.694 36.783 0.00 0.00 H +HETATM 1868 OW SOL C 557 37.117 24.432 26.043 0.00 0.00 O +HETATM 1869 HW SOL C 557 37.317 25.398 25.954 0.00 0.00 H +HETATM 1870 HW SOL C 557 37.997 24.011 26.216 0.00 0.00 H +HETATM 1871 OW SOL C 558 14.810 23.358 33.409 0.00 0.00 O +HETATM 1872 HW SOL C 558 14.838 23.265 32.423 0.00 0.00 H +HETATM 1873 HW SOL C 558 13.873 23.612 33.607 0.00 0.00 H +HETATM 1874 OW SOL C 559 33.183 31.133 44.914 0.00 0.00 O +HETATM 1875 HW SOL C 559 32.909 32.057 44.688 0.00 0.00 H +HETATM 1876 HW SOL C 559 33.329 30.695 44.038 0.00 0.00 H +HETATM 1877 OW SOL C 560 49.284 17.696 51.051 0.00 0.00 O +HETATM 1878 HW SOL C 560 48.833 16.941 51.506 0.00 0.00 H +HETATM 1879 HW SOL C 560 48.559 18.158 50.559 0.00 0.00 H +HETATM 1880 OW SOL C 561 49.006 6.780 16.671 0.00 0.00 O +HETATM 1881 HW SOL C 561 49.736 6.914 16.015 0.00 0.00 H +HETATM 1882 HW SOL C 561 48.770 5.822 16.588 0.00 0.00 H +HETATM 1883 OW SOL C 562 18.762 8.922 37.840 0.00 0.00 O +HETATM 1884 HW SOL C 562 18.143 8.151 37.899 0.00 0.00 H +HETATM 1885 HW SOL C 562 19.656 8.536 38.021 0.00 0.00 H +HETATM 1886 OW SOL C 563 28.736 48.768 16.053 0.00 0.00 O +HETATM 1887 HW SOL C 563 28.364 48.419 16.901 0.00 0.00 H +HETATM 1888 HW SOL C 563 28.977 47.959 15.535 0.00 0.00 H +HETATM 1889 OW SOL C 564 13.770 39.352 52.314 0.00 0.00 O +HETATM 1890 HW SOL C 564 14.269 40.154 52.609 0.00 0.00 H +HETATM 1891 HW SOL C 564 14.327 38.965 51.592 0.00 0.00 H +HETATM 1892 OW SOL C 565 16.577 40.468 50.915 0.00 0.00 O +HETATM 1893 HW SOL C 565 16.292 39.532 50.766 0.00 0.00 H +HETATM 1894 HW SOL C 565 17.561 40.415 51.016 0.00 0.00 H +HETATM 1895 OW SOL C 566 36.755 13.454 1.168 0.00 0.00 O +HETATM 1896 HW SOL C 566 36.534 13.334 2.125 0.00 0.00 H +HETATM 1897 HW SOL C 566 36.403 14.352 0.942 0.00 0.00 H +HETATM 1898 OW SOL C 567 41.014 6.458 46.731 0.00 0.00 O +HETATM 1899 HW SOL C 567 40.362 5.722 46.848 0.00 0.00 H +HETATM 1900 HW SOL C 567 41.826 6.016 46.375 0.00 0.00 H +HETATM 1901 OW SOL C 568 55.234 49.177 29.192 0.00 0.00 O +HETATM 1902 HW SOL C 568 54.749 49.850 29.733 0.00 0.00 H +HETATM 1903 HW SOL C 568 55.838 48.729 29.837 0.00 0.00 H +HETATM 1904 OW SOL C 569 21.055 18.816 15.654 0.00 0.00 O +HETATM 1905 HW SOL C 569 20.823 18.023 16.200 0.00 0.00 H +HETATM 1906 HW SOL C 569 20.187 19.134 15.297 0.00 0.00 H +HETATM 1907 OW SOL C 570 36.257 25.814 58.692 0.00 0.00 O +HETATM 1908 HW SOL C 570 35.419 26.335 58.773 0.00 0.00 H +HETATM 1909 HW SOL C 570 35.963 24.914 58.399 0.00 0.00 H +HETATM 1910 OW SOL C 571 22.604 9.812 42.808 0.00 0.00 O +HETATM 1911 HW SOL C 571 22.103 9.455 43.583 0.00 0.00 H +HETATM 1912 HW SOL C 571 23.131 9.042 42.476 0.00 0.00 H +HETATM 1913 OW SOL C 572 5.417 14.442 1.958 0.00 0.00 O +HETATM 1914 HW SOL C 572 5.275 15.419 1.883 0.00 0.00 H +HETATM 1915 HW SOL C 572 6.401 14.333 1.961 0.00 0.00 H +HETATM 1916 OW SOL C 573 37.319 26.156 56.469 0.00 0.00 O +HETATM 1917 HW SOL C 573 36.790 25.347 56.256 0.00 0.00 H +HETATM 1918 HW SOL C 573 36.649 26.882 56.537 0.00 0.00 H +HETATM 1919 OW SOL C 574 50.845 54.242 52.234 0.00 0.00 O +HETATM 1920 HW SOL C 574 49.942 54.303 51.832 0.00 0.00 H +HETATM 1921 HW SOL C 574 50.992 55.130 52.648 0.00 0.00 H +HETATM 1922 OW SOL C 575 15.675 0.958 53.270 0.00 0.00 O +HETATM 1923 HW SOL C 575 16.242 0.975 54.082 0.00 0.00 H +HETATM 1924 HW SOL C 575 15.947 0.133 52.795 0.00 0.00 H +HETATM 1925 OW SOL C 576 27.051 8.916 0.435 0.00 0.00 O +HETATM 1926 HW SOL C 576 27.852 9.143 0.970 0.00 0.00 H +HETATM 1927 HW SOL C 576 26.448 9.693 0.548 0.00 0.00 H +HETATM 1928 OW SOL C 577 45.062 16.742 51.001 0.00 0.00 O +HETATM 1929 HW SOL C 577 44.992 17.671 50.665 0.00 0.00 H +HETATM 1930 HW SOL C 577 45.527 16.251 50.277 0.00 0.00 H +HETATM 1931 OW SOL C 578 37.267 17.346 32.455 0.00 0.00 O +HETATM 1932 HW SOL C 578 38.241 17.519 32.485 0.00 0.00 H +HETATM 1933 HW SOL C 578 37.192 16.385 32.227 0.00 0.00 H +HETATM 1934 OW SOL C 579 3.925 5.217 31.874 0.00 0.00 O +HETATM 1935 HW SOL C 579 4.512 4.422 31.930 0.00 0.00 H +HETATM 1936 HW SOL C 579 3.028 4.881 32.129 0.00 0.00 H +HETATM 1937 OW SOL C 580 52.671 44.139 2.469 0.00 0.00 O +HETATM 1938 HW SOL C 580 53.197 43.307 2.366 0.00 0.00 H +HETATM 1939 HW SOL C 580 51.816 43.951 2.006 0.00 0.00 H +HETATM 1940 OW SOL C 581 11.476 26.790 45.484 0.00 0.00 O +HETATM 1941 HW SOL C 581 10.511 26.949 45.331 0.00 0.00 H +HETATM 1942 HW SOL C 581 11.656 25.917 45.053 0.00 0.00 H +HETATM 1943 OW SOL C 582 19.099 10.024 25.428 0.00 0.00 O +HETATM 1944 HW SOL C 582 19.880 9.845 26.009 0.00 0.00 H +HETATM 1945 HW SOL C 582 18.650 10.800 25.847 0.00 0.00 H +HETATM 1946 OW SOL C 583 37.279 12.299 20.355 0.00 0.00 O +HETATM 1947 HW SOL C 583 36.911 13.216 20.411 0.00 0.00 H +HETATM 1948 HW SOL C 583 36.719 11.768 20.977 0.00 0.00 H +HETATM 1949 OW SOL C 584 56.209 19.621 26.375 0.00 0.00 O +HETATM 1950 HW SOL C 584 55.501 20.299 26.238 0.00 0.00 H +HETATM 1951 HW SOL C 584 56.543 19.792 27.291 0.00 0.00 H +HETATM 1952 OW SOL C 585 10.960 15.848 40.281 0.00 0.00 O +HETATM 1953 HW SOL C 585 11.474 15.836 39.434 0.00 0.00 H +HETATM 1954 HW SOL C 585 10.760 16.806 40.435 0.00 0.00 H +HETATM 1955 OW SOL C 586 37.698 40.806 16.416 0.00 0.00 O +HETATM 1956 HW SOL C 586 37.374 39.872 16.379 0.00 0.00 H +HETATM 1957 HW SOL C 586 38.684 40.729 16.374 0.00 0.00 H +HETATM 1958 OW SOL C 587 51.594 1.343 42.543 0.00 0.00 O +HETATM 1959 HW SOL C 587 52.036 1.400 41.659 0.00 0.00 H +HETATM 1960 HW SOL C 587 50.906 0.639 42.433 0.00 0.00 H +HETATM 1961 OW SOL C 588 25.203 22.979 14.133 0.00 0.00 O +HETATM 1962 HW SOL C 588 25.483 23.928 14.166 0.00 0.00 H +HETATM 1963 HW SOL C 588 25.658 22.559 14.906 0.00 0.00 H +HETATM 1964 OW SOL C 589 15.297 15.858 16.827 0.00 0.00 O +HETATM 1965 HW SOL C 589 14.849 15.019 16.549 0.00 0.00 H +HETATM 1966 HW SOL C 589 14.561 16.515 16.915 0.00 0.00 H +HETATM 1967 OW SOL C 590 29.896 19.431 49.675 0.00 0.00 O +HETATM 1968 HW SOL C 590 29.645 18.733 50.331 0.00 0.00 H +HETATM 1969 HW SOL C 590 29.191 19.385 48.981 0.00 0.00 H +HETATM 1970 OW SOL C 591 38.536 12.187 42.030 0.00 0.00 O +HETATM 1971 HW SOL C 591 39.470 12.393 42.287 0.00 0.00 H +HETATM 1972 HW SOL C 591 38.384 12.714 41.205 0.00 0.00 H +HETATM 1973 OW SOL C 592 5.846 28.555 4.897 0.00 0.00 O +HETATM 1974 HW SOL C 592 5.711 29.363 4.341 0.00 0.00 H +HETATM 1975 HW SOL C 592 5.505 28.810 5.792 0.00 0.00 H +HETATM 1976 OW SOL C 593 15.579 6.200 21.663 0.00 0.00 O +HETATM 1977 HW SOL C 593 15.520 5.744 22.540 0.00 0.00 H +HETATM 1978 HW SOL C 593 16.102 5.579 21.095 0.00 0.00 H +HETATM 1979 OW SOL C 594 54.490 4.043 42.173 0.00 0.00 O +HETATM 1980 HW SOL C 594 54.379 5.018 42.308 0.00 0.00 H +HETATM 1981 HW SOL C 594 53.566 3.686 42.177 0.00 0.00 H +HETATM 1982 OW SOL C 595 48.459 18.579 47.352 0.00 0.00 O +HETATM 1983 HW SOL C 595 47.869 18.515 46.560 0.00 0.00 H +HETATM 1984 HW SOL C 595 49.123 17.855 47.227 0.00 0.00 H +HETATM 1985 OW SOL C 596 31.943 13.148 27.164 0.00 0.00 O +HETATM 1986 HW SOL C 596 32.865 12.942 26.869 0.00 0.00 H +HETATM 1987 HW SOL C 596 31.523 13.584 26.380 0.00 0.00 H +HETATM 1988 OW SOL C 597 32.151 1.832 54.016 0.00 0.00 O +HETATM 1989 HW SOL C 597 32.918 1.390 53.573 0.00 0.00 H +HETATM 1990 HW SOL C 597 31.413 1.175 53.950 0.00 0.00 H +HETATM 1991 OW SOL C 598 38.358 39.425 53.519 0.00 0.00 O +HETATM 1992 HW SOL C 598 37.713 40.173 53.445 0.00 0.00 H +HETATM 1993 HW SOL C 598 37.808 38.648 53.791 0.00 0.00 H +HETATM 1994 OW SOL C 599 28.732 5.718 25.370 0.00 0.00 O +HETATM 1995 HW SOL C 599 28.640 4.733 25.405 0.00 0.00 H +HETATM 1996 HW SOL C 599 29.437 5.878 24.693 0.00 0.00 H +HETATM 1997 OW SOL C 600 17.092 40.216 46.077 0.00 0.00 O +HETATM 1998 HW SOL C 600 16.271 39.977 45.579 0.00 0.00 H +HETATM 1999 HW SOL C 600 17.756 39.534 45.804 0.00 0.00 H +HETATM 2000 OW SOL C 601 14.463 20.065 47.861 0.00 0.00 O +HETATM 2001 HW SOL C 601 13.797 20.635 47.401 0.00 0.00 H +HETATM 2002 HW SOL C 601 15.210 20.678 48.074 0.00 0.00 H +HETATM 2003 OW SOL C 602 34.091 7.723 1.179 0.00 0.00 O +HETATM 2004 HW SOL C 602 34.988 7.875 1.568 0.00 0.00 H +HETATM 2005 HW SOL C 602 34.139 6.812 0.792 0.00 0.00 H +HETATM 2006 OW SOL C 603 43.188 45.309 29.881 0.00 0.00 O +HETATM 2007 HW SOL C 603 43.501 45.840 29.107 0.00 0.00 H +HETATM 2008 HW SOL C 603 43.911 44.650 30.039 0.00 0.00 H +HETATM 2009 OW SOL C 604 36.990 1.156 6.533 0.00 0.00 O +HETATM 2010 HW SOL C 604 37.424 2.005 6.799 0.00 0.00 H +HETATM 2011 HW SOL C 604 37.572 0.450 6.913 0.00 0.00 H +HETATM 2012 OW SOL C 605 17.883 45.171 17.355 0.00 0.00 O +HETATM 2013 HW SOL C 605 18.740 44.827 17.000 0.00 0.00 H +HETATM 2014 HW SOL C 605 17.292 44.377 17.391 0.00 0.00 H +HETATM 2015 OW SOL C 606 3.204 58.395 41.842 0.00 0.00 O +HETATM 2016 HW SOL C 606 2.284 58.030 41.847 0.00 0.00 H +HETATM 2017 HW SOL C 606 3.353 58.705 42.771 0.00 0.00 H +HETATM 2018 OW SOL C 607 25.649 32.132 15.802 0.00 0.00 O +HETATM 2019 HW SOL C 607 25.358 31.419 15.180 0.00 0.00 H +HETATM 2020 HW SOL C 607 26.260 32.697 15.264 0.00 0.00 H +HETATM 2021 OW SOL C 608 50.787 52.286 58.232 0.00 0.00 O +HETATM 2022 HW SOL C 608 51.525 52.262 57.573 0.00 0.00 H +HETATM 2023 HW SOL C 608 50.311 51.427 58.104 0.00 0.00 H +HETATM 2024 OW SOL C 609 17.955 11.975 39.904 0.00 0.00 O +HETATM 2025 HW SOL C 609 17.039 12.331 40.018 0.00 0.00 H +HETATM 2026 HW SOL C 609 18.533 12.779 39.884 0.00 0.00 H +HETATM 2027 OW SOL C 610 32.445 4.694 22.650 0.00 0.00 O +HETATM 2028 HW SOL C 610 32.418 3.936 22.013 0.00 0.00 H +HETATM 2029 HW SOL C 610 33.255 5.204 22.395 0.00 0.00 H +HETATM 2030 OW SOL C 611 16.002 15.154 6.579 0.00 0.00 O +HETATM 2031 HW SOL C 611 15.777 15.638 7.413 0.00 0.00 H +HETATM 2032 HW SOL C 611 16.091 15.866 5.896 0.00 0.00 H +HETATM 2033 OW SOL C 612 30.784 45.193 36.835 0.00 0.00 O +HETATM 2034 HW SOL C 612 31.639 44.694 36.841 0.00 0.00 H +HETATM 2035 HW SOL C 612 30.086 44.491 36.829 0.00 0.00 H +HETATM 2036 OW SOL C 613 31.550 10.158 39.189 0.00 0.00 O +HETATM 2037 HW SOL C 613 32.449 9.799 39.393 0.00 0.00 H +HETATM 2038 HW SOL C 613 31.677 11.140 39.151 0.00 0.00 H +HETATM 2039 OW SOL C 614 14.620 42.761 3.330 0.00 0.00 O +HETATM 2040 HW SOL C 614 15.129 43.607 3.262 0.00 0.00 H +HETATM 2041 HW SOL C 614 15.301 42.051 3.216 0.00 0.00 H +HETATM 2042 OW SOL C 615 48.213 14.887 42.348 0.00 0.00 O +HETATM 2043 HW SOL C 615 47.630 14.849 43.147 0.00 0.00 H +HETATM 2044 HW SOL C 615 49.132 14.948 42.713 0.00 0.00 H +HETATM 2045 OW SOL C 616 1.986 27.330 43.828 0.00 0.00 O +HETATM 2046 HW SOL C 616 2.648 26.741 43.386 0.00 0.00 H +HETATM 2047 HW SOL C 616 1.110 27.017 43.490 0.00 0.00 H +HETATM 2048 OW SOL C 617 56.911 2.731 29.000 0.00 0.00 O +HETATM 2049 HW SOL C 617 56.703 3.493 29.597 0.00 0.00 H +HETATM 2050 HW SOL C 617 57.523 2.160 29.530 0.00 0.00 H +HETATM 2051 OW SOL C 618 26.632 22.601 45.834 0.00 0.00 O +HETATM 2052 HW SOL C 618 26.802 21.723 46.260 0.00 0.00 H +HETATM 2053 HW SOL C 618 25.777 22.480 45.349 0.00 0.00 H +HETATM 2054 OW SOL C 619 10.185 30.224 25.316 0.00 0.00 O +HETATM 2055 HW SOL C 619 10.589 29.322 25.271 0.00 0.00 H +HETATM 2056 HW SOL C 619 10.957 30.844 25.283 0.00 0.00 H +HETATM 2057 OW SOL C 620 55.501 45.741 0.724 0.00 0.00 O +HETATM 2058 HW SOL C 620 56.317 45.353 0.320 0.00 0.00 H +HETATM 2059 HW SOL C 620 54.952 44.956 0.977 0.00 0.00 H +HETATM 2060 OW SOL C 621 11.419 43.845 39.983 0.00 0.00 O +HETATM 2061 HW SOL C 621 10.734 43.959 39.277 0.00 0.00 H +HETATM 2062 HW SOL C 621 10.914 43.915 40.832 0.00 0.00 H +HETATM 2063 OW SOL C 622 16.948 46.136 40.860 0.00 0.00 O +HETATM 2064 HW SOL C 622 17.564 46.075 40.087 0.00 0.00 H +HETATM 2065 HW SOL C 622 16.139 45.642 40.573 0.00 0.00 H +HETATM 2066 OW SOL C 623 22.619 26.552 35.634 0.00 0.00 O +HETATM 2067 HW SOL C 623 21.705 26.931 35.634 0.00 0.00 H +HETATM 2068 HW SOL C 623 23.216 27.342 35.635 0.00 0.00 H +HETATM 2069 OW SOL C 624 52.321 40.535 2.261 0.00 0.00 O +HETATM 2070 HW SOL C 624 51.393 40.238 2.081 0.00 0.00 H +HETATM 2071 HW SOL C 624 52.437 41.341 1.698 0.00 0.00 H +HETATM 2072 OW SOL C 625 16.193 15.890 54.950 0.00 0.00 O +HETATM 2073 HW SOL C 625 16.004 15.937 55.920 0.00 0.00 H +HETATM 2074 HW SOL C 625 15.551 15.219 54.604 0.00 0.00 H +HETATM 2075 OW SOL C 626 6.255 16.492 53.712 0.00 0.00 O +HETATM 2076 HW SOL C 626 5.528 17.151 53.581 0.00 0.00 H +HETATM 2077 HW SOL C 626 6.825 16.889 54.418 0.00 0.00 H +HETATM 2078 OW SOL C 627 4.582 37.112 32.322 0.00 0.00 O +HETATM 2079 HW SOL C 627 3.934 37.661 32.831 0.00 0.00 H +HETATM 2080 HW SOL C 627 5.164 36.710 33.016 0.00 0.00 H +HETATM 2081 OW SOL C 628 25.952 46.645 39.727 0.00 0.00 O +HETATM 2082 HW SOL C 628 25.183 47.216 39.978 0.00 0.00 H +HETATM 2083 HW SOL C 628 26.491 47.208 39.117 0.00 0.00 H +HETATM 2084 OW SOL C 629 26.220 26.131 15.455 0.00 0.00 O +HETATM 2085 HW SOL C 629 25.726 26.351 14.626 0.00 0.00 H +HETATM 2086 HW SOL C 629 25.514 25.978 16.132 0.00 0.00 H +HETATM 2087 OW SOL C 630 18.670 25.230 25.155 0.00 0.00 O +HETATM 2088 HW SOL C 630 19.497 25.732 25.365 0.00 0.00 H +HETATM 2089 HW SOL C 630 18.947 24.279 25.164 0.00 0.00 H +HETATM 2090 OW SOL C 631 55.100 32.124 27.891 0.00 0.00 O +HETATM 2091 HW SOL C 631 56.046 32.338 28.092 0.00 0.00 H +HETATM 2092 HW SOL C 631 54.686 33.000 27.685 0.00 0.00 H +HETATM 2093 OW SOL C 632 19.391 17.038 47.955 0.00 0.00 O +HETATM 2094 HW SOL C 632 18.692 17.739 47.945 0.00 0.00 H +HETATM 2095 HW SOL C 632 18.903 16.197 47.768 0.00 0.00 H +HETATM 2096 OW SOL C 633 40.712 48.025 21.901 0.00 0.00 O +HETATM 2097 HW SOL C 633 40.289 48.898 22.100 0.00 0.00 H +HETATM 2098 HW SOL C 633 39.956 47.385 21.868 0.00 0.00 H +HETATM 2099 OW SOL C 634 47.852 37.414 43.142 0.00 0.00 O +HETATM 2100 HW SOL C 634 46.863 37.433 43.124 0.00 0.00 H +HETATM 2101 HW SOL C 634 48.120 38.367 43.119 0.00 0.00 H +HETATM 2102 OW SOL C 635 22.862 52.187 41.654 0.00 0.00 O +HETATM 2103 HW SOL C 635 23.247 51.835 42.495 0.00 0.00 H +HETATM 2104 HW SOL C 635 22.445 51.399 41.223 0.00 0.00 H +HETATM 2105 OW SOL C 636 45.158 40.722 23.107 0.00 0.00 O +HETATM 2106 HW SOL C 636 44.618 40.986 23.894 0.00 0.00 H +HETATM 2107 HW SOL C 636 45.784 40.038 23.454 0.00 0.00 H +HETATM 2108 OW SOL C 637 17.135 46.023 57.237 0.00 0.00 O +HETATM 2109 HW SOL C 637 17.576 45.873 58.111 0.00 0.00 H +HETATM 2110 HW SOL C 637 16.905 45.114 56.917 0.00 0.00 H +HETATM 2111 OW SOL C 638 7.965 27.930 6.794 0.00 0.00 O +HETATM 2112 HW SOL C 638 7.901 28.897 6.590 0.00 0.00 H +HETATM 2113 HW SOL C 638 7.548 27.837 7.688 0.00 0.00 H +HETATM 2114 OW SOL C 639 37.275 51.723 16.937 0.00 0.00 O +HETATM 2115 HW SOL C 639 37.662 52.603 16.703 0.00 0.00 H +HETATM 2116 HW SOL C 639 38.060 51.128 17.045 0.00 0.00 H +HETATM 2117 OW SOL C 640 57.594 55.980 49.149 0.00 0.00 O +HETATM 2118 HW SOL C 640 56.759 55.447 49.152 0.00 0.00 H +HETATM 2119 HW SOL C 640 58.319 55.305 49.148 0.00 0.00 H +HETATM 2120 OW SOL C 641 26.920 9.334 18.751 0.00 0.00 O +HETATM 2121 HW SOL C 641 26.237 9.269 19.465 0.00 0.00 H +HETATM 2122 HW SOL C 641 27.248 8.406 18.637 0.00 0.00 H +HETATM 2123 OW SOL C 642 14.474 55.685 28.926 0.00 0.00 O +HETATM 2124 HW SOL C 642 15.277 55.108 28.957 0.00 0.00 H +HETATM 2125 HW SOL C 642 13.713 55.051 28.906 0.00 0.00 H +HETATM 2126 OW SOL C 643 59.801 45.013 53.624 0.00 0.00 O +HETATM 2127 HW SOL C 643 59.753 46.000 53.692 0.00 0.00 H +HETATM 2128 HW SOL C 643 58.855 44.718 53.615 0.00 0.00 H +HETATM 2129 OW SOL C 644 29.886 6.657 6.027 0.00 0.00 O +HETATM 2130 HW SOL C 644 29.189 7.287 5.714 0.00 0.00 H +HETATM 2131 HW SOL C 644 30.725 7.182 6.003 0.00 0.00 H +HETATM 2132 OW SOL C 645 44.851 36.495 11.344 0.00 0.00 O +HETATM 2133 HW SOL C 645 44.839 36.840 12.272 0.00 0.00 H +HETATM 2134 HW SOL C 645 45.476 37.095 10.864 0.00 0.00 H +HETATM 2135 OW SOL C 646 22.558 49.987 15.438 0.00 0.00 O +HETATM 2136 HW SOL C 646 23.322 50.013 14.809 0.00 0.00 H +HETATM 2137 HW SOL C 646 22.013 49.218 15.134 0.00 0.00 H +HETATM 2138 OW SOL C 647 59.818 34.163 26.123 0.00 0.00 O +HETATM 2139 HW SOL C 647 59.664 34.962 25.558 0.00 0.00 H +HETATM 2140 HW SOL C 647 59.547 34.446 27.032 0.00 0.00 H +HETATM 2141 OW SOL C 648 49.939 1.691 12.054 0.00 0.00 O +HETATM 2142 HW SOL C 648 49.297 1.015 11.720 0.00 0.00 H +HETATM 2143 HW SOL C 648 49.404 2.520 12.141 0.00 0.00 H +HETATM 2144 OW SOL C 649 18.796 24.091 49.094 0.00 0.00 O +HETATM 2145 HW SOL C 649 19.205 24.903 49.485 0.00 0.00 H +HETATM 2146 HW SOL C 649 19.532 23.660 48.590 0.00 0.00 H +HETATM 2147 OW SOL C 650 31.048 22.612 10.678 0.00 0.00 O +HETATM 2148 HW SOL C 650 30.400 21.870 10.576 0.00 0.00 H +HETATM 2149 HW SOL C 650 30.804 23.038 11.538 0.00 0.00 H +HETATM 2150 OW SOL C 651 27.413 24.262 20.176 0.00 0.00 O +HETATM 2151 HW SOL C 651 27.399 23.347 20.552 0.00 0.00 H +HETATM 2152 HW SOL C 651 28.341 24.577 20.323 0.00 0.00 H +HETATM 2153 OW SOL C 652 14.382 19.431 43.221 0.00 0.00 O +HETATM 2154 HW SOL C 652 15.045 20.089 42.892 0.00 0.00 H +HETATM 2155 HW SOL C 652 14.920 18.762 43.715 0.00 0.00 H +HETATM 2156 OW SOL C 653 29.727 39.529 9.782 0.00 0.00 O +HETATM 2157 HW SOL C 653 30.250 38.864 9.269 0.00 0.00 H +HETATM 2158 HW SOL C 653 30.284 40.348 9.768 0.00 0.00 H +HETATM 2159 OW SOL C 654 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H +HETATM 2365 HW SOL C 722 14.102 53.687 25.774 0.00 0.00 H +HETATM 2366 OW SOL C 723 35.158 4.039 26.886 0.00 0.00 O +HETATM 2367 HW SOL C 723 34.295 3.559 26.951 0.00 0.00 H +HETATM 2368 HW SOL C 723 35.841 3.350 27.085 0.00 0.00 H +HETATM 2369 OW SOL C 724 52.347 2.396 1.169 0.00 0.00 O +HETATM 2370 HW SOL C 724 52.175 3.355 1.344 0.00 0.00 H +HETATM 2371 HW SOL C 724 53.329 2.300 1.254 0.00 0.00 H +HETATM 2372 OW SOL C 725 6.504 18.775 35.080 0.00 0.00 O +HETATM 2373 HW SOL C 725 5.824 19.304 34.592 0.00 0.00 H +HETATM 2374 HW SOL C 725 7.370 19.159 34.792 0.00 0.00 H +HETATM 2375 OW SOL C 726 3.766 34.614 25.156 0.00 0.00 O +HETATM 2376 HW SOL C 726 4.523 34.354 24.574 0.00 0.00 H +HETATM 2377 HW SOL C 726 4.100 34.470 26.077 0.00 0.00 H +HETATM 2378 OW SOL C 727 15.315 15.829 23.023 0.00 0.00 O +HETATM 2379 HW SOL C 727 15.019 16.106 22.121 0.00 0.00 H +HETATM 2380 HW SOL C 727 14.533 16.003 23.606 0.00 0.00 H +HETATM 2381 OW SOL C 728 51.577 54.105 37.819 0.00 0.00 O +HETATM 2382 HW SOL C 728 52.541 53.895 37.898 0.00 0.00 H +HETATM 2383 HW SOL C 728 51.127 53.223 37.856 0.00 0.00 H +HETATM 2384 OW SOL C 729 10.701 3.682 15.849 0.00 0.00 O +HETATM 2385 HW SOL C 729 11.175 3.006 16.397 0.00 0.00 H +HETATM 2386 HW SOL C 729 11.396 4.351 15.625 0.00 0.00 H +HETATM 2387 OW SOL C 730 5.985 35.709 25.694 0.00 0.00 O +HETATM 2388 HW SOL C 730 6.945 35.467 25.657 0.00 0.00 H +HETATM 2389 HW SOL C 730 5.958 36.530 26.247 0.00 0.00 H +HETATM 2390 OW SOL C 731 12.414 23.757 9.455 0.00 0.00 O +HETATM 2391 HW SOL C 731 11.721 23.066 9.605 0.00 0.00 H +HETATM 2392 HW SOL C 731 13.269 23.299 9.658 0.00 0.00 H +HETATM 2393 OW SOL C 732 1.885 7.712 14.320 0.00 0.00 O +HETATM 2394 HW SOL C 732 1.352 8.545 14.275 0.00 0.00 H +HETATM 2395 HW SOL C 732 2.823 8.021 14.396 0.00 0.00 H +HETATM 2396 OW SOL C 733 12.611 13.181 36.999 0.00 0.00 O +HETATM 2397 HW SOL C 733 12.251 14.071 37.241 0.00 0.00 H +HETATM 2398 HW SOL C 733 11.815 12.654 36.735 0.00 0.00 H +HETATM 2399 OW SOL C 734 14.170 3.156 35.791 0.00 0.00 O +HETATM 2400 HW SOL C 734 13.250 2.888 36.039 0.00 0.00 H +HETATM 2401 HW SOL C 734 14.379 2.612 34.990 0.00 0.00 H +HETATM 2402 OW SOL C 735 8.587 8.040 58.906 0.00 0.00 O +HETATM 2403 HW SOL C 735 8.064 8.809 59.246 0.00 0.00 H +HETATM 2404 HW SOL C 735 9.512 8.383 58.827 0.00 0.00 H +HETATM 2405 OW SOL C 736 40.996 32.244 49.377 0.00 0.00 O +HETATM 2406 HW SOL C 736 40.401 31.485 49.600 0.00 0.00 H +HETATM 2407 HW SOL C 736 40.384 33.013 49.261 0.00 0.00 H +HETATM 2408 OW SOL C 737 6.742 59.747 22.591 0.00 0.00 O +HETATM 2409 HW SOL C 737 5.756 59.728 22.512 0.00 0.00 H +HETATM 2410 HW SOL C 737 6.949 59.070 23.285 0.00 0.00 H +HETATM 2411 OW SOL C 738 43.725 41.580 29.361 0.00 0.00 O +HETATM 2412 HW SOL C 738 42.978 42.104 28.977 0.00 0.00 H +HETATM 2413 HW SOL C 738 43.407 41.316 30.261 0.00 0.00 H +HETATM 2414 OW SOL C 739 13.767 44.352 15.274 0.00 0.00 O +HETATM 2415 HW SOL C 739 14.050 43.412 15.146 0.00 0.00 H +HETATM 2416 HW SOL C 739 14.614 44.865 15.295 0.00 0.00 H +HETATM 2417 OW SOL C 740 10.601 13.790 21.572 0.00 0.00 O +HETATM 2418 HW SOL C 740 10.565 13.107 22.287 0.00 0.00 H +HETATM 2419 HW SOL C 740 9.673 13.841 21.229 0.00 0.00 H +HETATM 2420 OW SOL C 741 40.692 59.902 57.620 0.00 0.00 O +HETATM 2421 HW SOL C 741 39.740 59.631 57.649 0.00 0.00 H +HETATM 2422 HW SOL C 741 41.193 59.048 57.618 0.00 0.00 H +HETATM 2423 OW SOL C 742 22.182 20.978 23.831 0.00 0.00 O +HETATM 2424 HW SOL C 742 22.109 20.668 22.894 0.00 0.00 H +HETATM 2425 HW SOL C 742 21.774 20.251 24.366 0.00 0.00 H +HETATM 2426 OW SOL C 743 39.049 52.606 20.938 0.00 0.00 O +HETATM 2427 HW SOL C 743 39.962 52.485 20.575 0.00 0.00 H +HETATM 2428 HW SOL C 743 39.092 52.225 21.851 0.00 0.00 H +HETATM 2429 OW SOL C 744 30.832 28.760 5.350 0.00 0.00 O +HETATM 2430 HW SOL C 744 30.320 29.274 4.676 0.00 0.00 H +HETATM 2431 HW SOL C 744 31.449 28.197 4.817 0.00 0.00 H +HETATM 2432 OW SOL C 745 17.293 45.461 49.641 0.00 0.00 O +HETATM 2433 HW SOL C 745 16.392 45.667 49.996 0.00 0.00 H +HETATM 2434 HW SOL C 745 17.558 46.277 49.146 0.00 0.00 H +HETATM 2435 OW SOL C 746 29.053 1.964 23.860 0.00 0.00 O +HETATM 2436 HW SOL C 746 28.338 2.625 24.035 0.00 0.00 H +HETATM 2437 HW SOL C 746 28.600 1.085 23.923 0.00 0.00 H +HETATM 2438 OW SOL C 747 15.742 21.512 12.341 0.00 0.00 O +HETATM 2439 HW SOL C 747 16.541 21.652 11.772 0.00 0.00 H +HETATM 2440 HW SOL C 747 16.060 20.932 13.078 0.00 0.00 H +HETATM 2441 OW SOL C 748 10.815 5.737 11.098 0.00 0.00 O +HETATM 2442 HW SOL C 748 9.910 5.439 10.829 0.00 0.00 H +HETATM 2443 HW SOL C 748 11.430 5.198 10.540 0.00 0.00 H +HETATM 2444 OW SOL C 749 20.382 3.014 24.357 0.00 0.00 O +HETATM 2445 HW SOL C 749 20.727 3.205 23.449 0.00 0.00 H +HETATM 2446 HW SOL C 749 19.460 3.375 24.354 0.00 0.00 H +HETATM 2447 OW SOL C 750 56.637 17.306 20.250 0.00 0.00 O +HETATM 2448 HW SOL C 750 55.871 17.765 19.823 0.00 0.00 H +HETATM 2449 HW SOL C 750 56.779 17.797 21.098 0.00 0.00 H +HETATM 2450 OW SOL C 751 17.577 45.423 4.774 0.00 0.00 O +HETATM 2451 HW SOL C 751 17.971 46.301 4.540 0.00 0.00 H +HETATM 2452 HW SOL C 751 17.597 45.398 5.764 0.00 0.00 H +HETATM 2453 OW SOL C 752 11.819 2.843 53.339 0.00 0.00 O +HETATM 2454 HW SOL C 752 11.021 2.724 53.912 0.00 0.00 H +HETATM 2455 HW SOL C 752 12.217 3.698 53.641 0.00 0.00 H +HETATM 2456 OW SOL C 753 36.525 13.951 13.574 0.00 0.00 O +HETATM 2457 HW SOL C 753 37.177 13.223 13.418 0.00 0.00 H +HETATM 2458 HW SOL C 753 36.099 13.722 14.439 0.00 0.00 H +HETATM 2459 OW SOL C 754 9.356 10.794 42.789 0.00 0.00 O +HETATM 2460 HW SOL C 754 9.295 11.528 42.127 0.00 0.00 H +HETATM 2461 HW SOL C 754 8.424 10.477 42.895 0.00 0.00 H +HETATM 2462 OW SOL C 755 11.729 53.275 4.305 0.00 0.00 O +HETATM 2463 HW SOL C 755 11.432 52.548 4.909 0.00 0.00 H +HETATM 2464 HW SOL C 755 11.098 54.018 4.481 0.00 0.00 H +HETATM 2465 OW SOL C 756 15.392 19.246 18.103 0.00 0.00 O +HETATM 2466 HW SOL C 756 14.808 18.464 17.937 0.00 0.00 H +HETATM 2467 HW SOL C 756 14.765 19.997 18.255 0.00 0.00 H +HETATM 2468 OW SOL C 757 9.587 40.253 31.721 0.00 0.00 O +HETATM 2469 HW SOL C 757 9.997 40.341 32.618 0.00 0.00 H +HETATM 2470 HW SOL C 757 8.768 40.809 31.767 0.00 0.00 H +HETATM 2471 OW SOL C 758 9.907 8.866 13.150 0.00 0.00 O +HETATM 2472 HW SOL C 758 10.191 9.575 13.780 0.00 0.00 H +HETATM 2473 HW SOL C 758 8.917 8.875 13.196 0.00 0.00 H +HETATM 2474 OW SOL C 759 8.824 4.868 32.647 0.00 0.00 O +HETATM 2475 HW SOL C 759 9.387 4.107 32.937 0.00 0.00 H +HETATM 2476 HW SOL C 759 9.259 5.665 33.043 0.00 0.00 H +HETATM 2477 OW SOL C 760 47.559 17.937 53.201 0.00 0.00 O +HETATM 2478 HW SOL C 760 48.146 17.499 53.867 0.00 0.00 H +HETATM 2479 HW SOL C 760 48.031 18.776 52.968 0.00 0.00 H +HETATM 2480 OW SOL C 761 27.263 11.786 49.332 0.00 0.00 O +HETATM 2481 HW SOL C 761 27.923 12.297 49.864 0.00 0.00 H +HETATM 2482 HW SOL C 761 27.503 10.837 49.485 0.00 0.00 H +HETATM 2483 OW SOL C 762 58.570 6.165 11.994 0.00 0.00 O +HETATM 2484 HW SOL C 762 57.796 6.497 11.475 0.00 0.00 H +HETATM 2485 HW SOL C 762 59.336 6.703 11.670 0.00 0.00 H +HETATM 2486 OW SOL C 763 47.464 47.293 57.228 0.00 0.00 O +HETATM 2487 HW SOL C 763 46.824 47.005 57.925 0.00 0.00 H +HETATM 2488 HW SOL C 763 47.514 48.277 57.326 0.00 0.00 H +HETATM 2489 OW SOL C 764 44.573 24.979 45.607 0.00 0.00 O +HETATM 2490 HW SOL C 764 43.750 25.454 45.885 0.00 0.00 H +HETATM 2491 HW SOL C 764 45.159 25.691 45.243 0.00 0.00 H +HETATM 2492 OW SOL C 765 27.447 53.794 34.263 0.00 0.00 O +HETATM 2493 HW SOL C 765 27.465 53.650 35.242 0.00 0.00 H +HETATM 2494 HW SOL C 765 28.401 53.813 33.997 0.00 0.00 H +HETATM 2495 OW SOL C 766 29.922 54.450 16.381 0.00 0.00 O +HETATM 2496 HW SOL C 766 30.833 54.721 16.104 0.00 0.00 H +HETATM 2497 HW SOL C 766 30.053 53.594 16.861 0.00 0.00 H +HETATM 2498 OW SOL C 767 45.018 45.476 25.771 0.00 0.00 O +HETATM 2499 HW SOL C 767 44.552 46.188 26.277 0.00 0.00 H +HETATM 2500 HW SOL C 767 45.094 44.725 26.413 0.00 0.00 H +HETATM 2501 OW SOL C 768 29.945 6.466 54.964 0.00 0.00 O +HETATM 2502 HW SOL C 768 29.159 5.865 54.964 0.00 0.00 H +HETATM 2503 HW SOL C 768 30.725 5.855 54.965 0.00 0.00 H +HETATM 2504 OW SOL C 769 19.211 22.167 17.149 0.00 0.00 O +HETATM 2505 HW SOL C 769 19.902 22.832 17.394 0.00 0.00 H +HETATM 2506 HW SOL C 769 18.600 22.145 17.928 0.00 0.00 H +HETATM 2507 OW SOL C 770 39.673 32.706 53.436 0.00 0.00 O +HETATM 2508 HW SOL C 770 39.515 33.048 52.520 0.00 0.00 H +HETATM 2509 HW SOL C 770 40.551 32.250 53.382 0.00 0.00 H +HETATM 2510 OW SOL C 771 58.499 1.198 35.374 0.00 0.00 O +HETATM 2511 HW SOL C 771 59.457 0.971 35.484 0.00 0.00 H +HETATM 2512 HW SOL C 771 58.468 2.185 35.449 0.00 0.00 H +HETATM 2513 OW SOL C 772 15.764 11.091 55.320 0.00 0.00 O +HETATM 2514 HW SOL C 772 16.248 11.846 54.901 0.00 0.00 H +HETATM 2515 HW SOL C 772 16.479 10.472 55.617 0.00 0.00 H +HETATM 2516 OW SOL C 773 40.070 54.680 16.886 0.00 0.00 O +HETATM 2517 HW SOL C 773 39.168 54.843 17.261 0.00 0.00 H +HETATM 2518 HW SOL C 773 40.102 55.234 16.065 0.00 0.00 H +HETATM 2519 OW SOL C 774 21.732 14.035 53.589 0.00 0.00 O +HETATM 2520 HW SOL C 774 22.105 13.182 53.925 0.00 0.00 H +HETATM 2521 HW SOL C 774 20.922 14.186 54.139 0.00 0.00 H +HETATM 2522 OW SOL C 775 6.796 1.066 41.488 0.00 0.00 O +HETATM 2523 HW SOL C 775 7.539 1.719 41.434 0.00 0.00 H +HETATM 2524 HW SOL C 775 7.232 0.184 41.372 0.00 0.00 H +HETATM 2525 OW SOL C 776 44.959 3.872 50.514 0.00 0.00 O +HETATM 2526 HW SOL C 776 45.864 3.787 50.122 0.00 0.00 H +HETATM 2527 HW SOL C 776 45.074 4.500 51.271 0.00 0.00 H +HETATM 2528 OW SOL C 777 8.196 3.343 13.313 0.00 0.00 O +HETATM 2529 HW SOL C 777 8.815 2.570 13.298 0.00 0.00 H +HETATM 2530 HW SOL C 777 7.293 2.937 13.332 0.00 0.00 H +HETATM 2531 OW SOL C 778 22.153 32.924 8.487 0.00 0.00 O +HETATM 2532 HW SOL C 778 22.244 33.906 8.391 0.00 0.00 H +HETATM 2533 HW SOL C 778 22.685 32.704 9.293 0.00 0.00 H +HETATM 2534 OW SOL C 779 50.322 0.947 56.066 0.00 0.00 O +HETATM 2535 HW SOL C 779 49.644 1.662 56.167 0.00 0.00 H +HETATM 2536 HW SOL C 779 51.187 1.428 56.035 0.00 0.00 H +HETATM 2537 OW SOL C 780 35.324 3.970 7.863 0.00 0.00 O +HETATM 2538 HW SOL C 780 35.004 3.947 8.800 0.00 0.00 H +HETATM 2539 HW SOL C 780 34.780 3.285 7.398 0.00 0.00 H +HETATM 2540 OW SOL C 781 0.944 46.938 56.595 0.00 0.00 O +HETATM 2541 HW SOL C 781 0.004 46.634 56.523 0.00 0.00 H +HETATM 2542 HW SOL C 781 0.985 47.415 57.462 0.00 0.00 H +HETATM 2543 OW SOL C 782 27.644 25.253 2.209 0.00 0.00 O +HETATM 2544 HW SOL C 782 28.161 26.097 2.198 0.00 0.00 H +HETATM 2545 HW SOL C 782 26.696 25.542 2.206 0.00 0.00 H +HETATM 2546 OW SOL C 783 59.411 28.304 52.147 0.00 0.00 O +HETATM 2547 HW SOL C 783 59.974 27.506 52.309 0.00 0.00 H +HETATM 2548 HW SOL C 783 59.074 28.557 53.043 0.00 0.00 H +HETATM 2549 OW SOL C 784 55.864 26.228 28.012 0.00 0.00 O +HETATM 2550 HW SOL C 784 56.786 26.586 27.973 0.00 0.00 H +HETATM 2551 HW SOL C 784 55.291 27.030 28.115 0.00 0.00 H +HETATM 2552 OW SOL C 785 19.275 54.171 11.290 0.00 0.00 O +HETATM 2553 HW SOL C 785 18.377 53.907 10.967 0.00 0.00 H +HETATM 2554 HW SOL C 785 19.214 54.104 12.276 0.00 0.00 H +HETATM 2555 OW SOL C 786 41.636 37.129 58.722 0.00 0.00 O +HETATM 2556 HW SOL C 786 42.252 36.355 58.745 0.00 0.00 H +HETATM 2557 HW SOL C 786 40.731 36.727 58.705 0.00 0.00 H +HETATM 2558 OW SOL C 787 19.606 32.826 40.456 0.00 0.00 O +HETATM 2559 HW SOL C 787 20.083 33.617 40.813 0.00 0.00 H +HETATM 2560 HW SOL C 787 20.274 32.369 39.886 0.00 0.00 H +HETATM 2561 OW SOL C 788 51.074 45.819 28.554 0.00 0.00 O +HETATM 2562 HW SOL C 788 51.901 45.277 28.603 0.00 0.00 H +HETATM 2563 HW SOL C 788 50.859 46.029 29.498 0.00 0.00 H +HETATM 2564 OW SOL C 789 4.211 2.794 54.484 0.00 0.00 O +HETATM 2565 HW SOL C 789 4.375 2.129 53.769 0.00 0.00 H +HETATM 2566 HW SOL C 789 5.110 3.143 54.710 0.00 0.00 H +HETATM 2567 OW SOL C 790 48.769 56.658 42.081 0.00 0.00 O +HETATM 2568 HW SOL C 790 49.367 56.074 42.611 0.00 0.00 H +HETATM 2569 HW SOL C 790 48.200 56.031 41.568 0.00 0.00 H +HETATM 2570 OW SOL C 791 22.379 5.317 35.502 0.00 0.00 O +HETATM 2571 HW SOL C 791 21.995 6.210 35.314 0.00 0.00 H +HETATM 2572 HW SOL C 791 21.703 4.678 35.160 0.00 0.00 H +HETATM 2573 OW SOL C 792 9.148 19.122 27.089 0.00 0.00 O +HETATM 2574 HW SOL C 792 9.480 18.261 27.447 0.00 0.00 H +HETATM 2575 HW SOL C 792 8.250 18.912 26.730 0.00 0.00 H +HETATM 2576 OW SOL C 793 31.249 37.980 4.501 0.00 0.00 O +HETATM 2577 HW SOL C 793 32.113 38.172 4.058 0.00 0.00 H +HETATM 2578 HW SOL C 793 30.772 38.848 4.502 0.00 0.00 H +HETATM 2579 OW SOL C 794 13.648 27.281 3.061 0.00 0.00 O +HETATM 2580 HW SOL C 794 13.959 28.150 3.418 0.00 0.00 H +HETATM 2581 HW SOL C 794 12.712 27.446 2.784 0.00 0.00 H +HETATM 2582 OW SOL C 795 26.743 11.430 46.028 0.00 0.00 O +HETATM 2583 HW SOL C 795 27.624 11.022 45.836 0.00 0.00 H +HETATM 2584 HW SOL C 795 26.959 12.292 46.466 0.00 0.00 H +HETATM 2585 OW SOL C 796 22.364 13.503 13.953 0.00 0.00 O +HETATM 2586 HW SOL C 796 23.118 12.879 13.802 0.00 0.00 H +HETATM 2587 HW SOL C 796 22.057 13.303 14.874 0.00 0.00 H +HETATM 2588 OW SOL C 797 6.387 4.003 15.234 0.00 0.00 O +HETATM 2589 HW SOL C 797 6.685 4.941 15.133 0.00 0.00 H +HETATM 2590 HW SOL C 797 6.713 3.734 16.130 0.00 0.00 H +HETATM 2591 OW SOL C 798 15.520 7.906 4.726 0.00 0.00 O +HETATM 2592 HW SOL C 798 15.635 8.501 3.944 0.00 0.00 H +HETATM 2593 HW SOL C 798 15.610 6.991 4.358 0.00 0.00 H +HETATM 2594 OW SOL C 799 38.740 31.665 25.415 0.00 0.00 O +HETATM 2595 HW SOL C 799 39.630 31.700 25.847 0.00 0.00 H +HETATM 2596 HW SOL C 799 38.324 32.538 25.631 0.00 0.00 H +HETATM 2597 OW SOL C 800 17.270 43.649 36.398 0.00 0.00 O +HETATM 2598 HW SOL C 800 16.319 43.890 36.271 0.00 0.00 H +HETATM 2599 HW SOL C 800 17.461 43.000 35.674 0.00 0.00 H +HETATM 2600 OW SOL C 801 42.969 23.654 38.318 0.00 0.00 O +HETATM 2601 HW SOL C 801 42.787 23.706 37.346 0.00 0.00 H +HETATM 2602 HW SOL C 801 42.782 22.712 38.557 0.00 0.00 H +HETATM 2603 OW SOL C 802 45.335 45.470 13.056 0.00 0.00 O +HETATM 2604 HW SOL C 802 46.091 46.006 12.709 0.00 0.00 H +HETATM 2605 HW SOL C 802 44.554 45.767 12.523 0.00 0.00 H +HETATM 2606 OW SOL C 803 5.352 1.165 18.653 0.00 0.00 O +HETATM 2607 HW SOL C 803 4.404 1.353 18.439 0.00 0.00 H +HETATM 2608 HW SOL C 803 5.726 2.043 18.916 0.00 0.00 H +HETATM 2609 OW SOL C 804 19.638 36.386 25.910 0.00 0.00 O +HETATM 2610 HW SOL C 804 20.043 35.515 26.148 0.00 0.00 H +HETATM 2611 HW SOL C 804 18.663 36.245 26.019 0.00 0.00 H +HETATM 2612 OW SOL C 805 31.359 30.464 51.520 0.00 0.00 O +HETATM 2613 HW SOL C 805 31.735 29.552 51.436 0.00 0.00 H +HETATM 2614 HW SOL C 805 32.069 31.059 51.170 0.00 0.00 H +HETATM 2615 OW SOL C 806 28.492 53.622 59.219 0.00 0.00 O +HETATM 2616 HW SOL C 806 29.231 54.273 59.320 0.00 0.00 H +HETATM 2617 HW SOL C 806 27.677 54.181 59.151 0.00 0.00 H +HETATM 2618 OW SOL C 807 43.069 43.219 17.454 0.00 0.00 O +HETATM 2619 HW SOL C 807 43.581 43.208 16.608 0.00 0.00 H +HETATM 2620 HW SOL C 807 42.556 44.066 17.424 0.00 0.00 H +HETATM 2621 OW SOL C 808 54.528 18.896 0.036 0.00 0.00 O +HETATM 2622 HW SOL C 808 55.277 19.543 0.006 0.00 0.00 H +HETATM 2623 HW SOL C 808 54.968 18.011 0.100 0.00 0.00 H +HETATM 2624 OW SOL C 809 6.903 34.884 55.318 0.00 0.00 O +HETATM 2625 HW SOL C 809 7.494 35.629 55.594 0.00 0.00 H +HETATM 2626 HW SOL C 809 7.515 34.115 55.192 0.00 0.00 H +HETATM 2627 OW SOL C 810 17.684 21.029 15.228 0.00 0.00 O +HETATM 2628 HW SOL C 810 16.765 20.662 15.239 0.00 0.00 H +HETATM 2629 HW SOL C 810 18.270 20.230 15.209 0.00 0.00 H +HETATM 2630 OW SOL C 811 12.290 11.290 48.080 0.00 0.00 O +HETATM 2631 HW SOL C 811 11.825 10.419 48.005 0.00 0.00 H +HETATM 2632 HW SOL C 811 12.149 11.723 47.201 0.00 0.00 H +HETATM 2633 OW SOL C 812 56.392 10.723 52.535 0.00 0.00 O +HETATM 2634 HW SOL C 812 57.188 10.292 52.133 0.00 0.00 H +HETATM 2635 HW SOL C 812 55.694 10.656 51.836 0.00 0.00 H +HETATM 2636 OW SOL C 813 0.866 17.733 59.342 0.00 0.00 O +HETATM 2637 HW SOL C 813 1.579 18.039 59.956 0.00 0.00 H +HETATM 2638 HW SOL C 813 0.660 16.811 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SOL C 848 37.067 16.598 2.904 0.00 0.00 O +HETATM 2742 HW SOL C 848 36.918 15.628 3.029 0.00 0.00 H +HETATM 2743 HW SOL C 848 37.881 16.654 2.343 0.00 0.00 H +HETATM 2744 OW SOL C 849 24.028 4.012 25.395 0.00 0.00 O +HETATM 2745 HW SOL C 849 23.550 3.508 24.690 0.00 0.00 H +HETATM 2746 HW SOL C 849 24.145 3.358 26.130 0.00 0.00 H +HETATM 2747 OW SOL C 850 45.848 8.754 31.973 0.00 0.00 O +HETATM 2748 HW SOL C 850 44.978 9.185 32.165 0.00 0.00 H +HETATM 2749 HW SOL C 850 46.270 8.640 32.862 0.00 0.00 H +HETATM 2750 OW SOL C 851 21.515 10.245 56.664 0.00 0.00 O +HETATM 2751 HW SOL C 851 21.465 11.020 56.051 0.00 0.00 H +HETATM 2752 HW SOL C 851 20.870 9.592 56.293 0.00 0.00 H +HETATM 2753 OW SOL C 852 19.135 5.863 26.143 0.00 0.00 O +HETATM 2754 HW SOL C 852 18.336 6.179 25.651 0.00 0.00 H +HETATM 2755 HW SOL C 852 19.816 6.566 25.989 0.00 0.00 H +HETATM 2756 OW SOL C 853 4.669 9.112 45.169 0.00 0.00 O +HETATM 2757 HW SOL C 853 4.039 9.872 45.104 0.00 0.00 H +HETATM 2758 HW SOL C 853 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SOL C 939 16.844 36.841 56.045 0.00 0.00 O +HETATM 3015 HW SOL C 939 17.422 36.132 56.423 0.00 0.00 H +HETATM 3016 HW SOL C 939 16.436 36.429 55.243 0.00 0.00 H +HETATM 3017 OW SOL C 940 52.607 20.038 7.226 0.00 0.00 O +HETATM 3018 HW SOL C 940 52.014 19.517 7.823 0.00 0.00 H +HETATM 3019 HW SOL C 940 52.760 19.444 6.448 0.00 0.00 H +HETATM 3020 OW SOL C 941 47.630 42.356 17.956 0.00 0.00 O +HETATM 3021 HW SOL C 941 47.734 41.416 17.663 0.00 0.00 H +HETATM 3022 HW SOL C 941 46.731 42.387 18.372 0.00 0.00 H +HETATM 3023 OW SOL C 942 40.561 14.661 6.541 0.00 0.00 O +HETATM 3024 HW SOL C 942 40.023 14.610 7.370 0.00 0.00 H +HETATM 3025 HW SOL C 942 41.489 14.805 6.856 0.00 0.00 H +HETATM 3026 OW SOL C 943 29.893 4.301 44.130 0.00 0.00 O +HETATM 3027 HW SOL C 943 29.302 3.551 44.387 0.00 0.00 H +HETATM 3028 HW SOL C 943 30.627 3.876 43.619 0.00 0.00 H +HETATM 3029 OW SOL C 944 43.838 38.416 23.656 0.00 0.00 O +HETATM 3030 HW SOL C 944 43.826 37.458 23.406 0.00 0.00 H +HETATM 3031 HW SOL C 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0.00 0.00 H +HETATM 3083 OW SOL C 962 34.312 53.077 40.922 0.00 0.00 O +HETATM 3084 HW SOL C 962 33.582 52.553 41.339 0.00 0.00 H +HETATM 3085 HW SOL C 962 35.109 52.492 40.993 0.00 0.00 H +HETATM 3086 OW SOL C 963 50.133 49.078 31.580 0.00 0.00 O +HETATM 3087 HW SOL C 963 49.213 48.800 31.344 0.00 0.00 H +HETATM 3088 HW SOL C 963 50.208 50.005 31.240 0.00 0.00 H +HETATM 3089 OW SOL C 964 26.523 46.409 16.474 0.00 0.00 O +HETATM 3090 HW SOL C 964 26.032 47.208 16.789 0.00 0.00 H +HETATM 3091 HW SOL C 964 25.814 45.752 16.257 0.00 0.00 H +HETATM 3092 OW SOL C 965 23.799 55.783 3.860 0.00 0.00 O +HETATM 3093 HW SOL C 965 23.388 55.104 4.452 0.00 0.00 H +HETATM 3094 HW SOL C 965 24.328 55.257 3.208 0.00 0.00 H +HETATM 3095 OW SOL C 966 1.900 54.832 25.779 0.00 0.00 O +HETATM 3096 HW SOL C 966 1.082 55.369 25.930 0.00 0.00 H +HETATM 3097 HW SOL C 966 1.725 54.345 24.934 0.00 0.00 H +HETATM 3098 OW SOL C 967 32.872 47.316 48.900 0.00 0.00 O +HETATM 3099 HW SOL C 967 32.953 46.333 48.985 0.00 0.00 H +HETATM 3100 HW SOL C 967 33.792 47.655 49.045 0.00 0.00 H +HETATM 3101 OW SOL C 968 26.209 57.803 14.405 0.00 0.00 O +HETATM 3102 HW SOL C 968 26.355 58.781 14.465 0.00 0.00 H +HETATM 3103 HW SOL C 968 25.233 57.690 14.531 0.00 0.00 H +HETATM 3104 OW SOL C 969 42.782 52.461 39.987 0.00 0.00 O +HETATM 3105 HW SOL C 969 41.805 52.622 39.960 0.00 0.00 H +HETATM 3106 HW SOL C 969 42.881 51.500 39.766 0.00 0.00 H +HETATM 3107 OW SOL C 970 38.728 17.463 16.899 0.00 0.00 O +HETATM 3108 HW SOL C 970 38.587 17.784 15.973 0.00 0.00 H +HETATM 3109 HW SOL C 970 39.633 17.785 17.139 0.00 0.00 H +HETATM 3110 OW SOL C 971 49.543 19.236 25.096 0.00 0.00 O +HETATM 3111 HW SOL C 971 50.243 18.539 25.158 0.00 0.00 H +HETATM 3112 HW SOL C 971 48.749 18.759 24.746 0.00 0.00 H +HETATM 3113 OW SOL C 972 26.763 44.608 12.672 0.00 0.00 O +HETATM 3114 HW SOL C 972 26.267 45.465 12.677 0.00 0.00 H +HETATM 3115 HW SOL C 972 27.715 44.872 12.610 0.00 0.00 H +HETATM 3116 OW SOL C 973 37.184 50.107 53.064 0.00 0.00 O +HETATM 3117 HW SOL C 973 37.084 51.052 52.787 0.00 0.00 H +HETATM 3118 HW SOL C 973 38.136 49.897 52.888 0.00 0.00 H +HETATM 3119 OW SOL C 974 31.315 39.923 38.292 0.00 0.00 O +HETATM 3120 HW SOL C 974 32.154 39.830 37.774 0.00 0.00 H +HETATM 3121 HW SOL C 974 31.124 40.895 38.283 0.00 0.00 H +HETATM 3122 OW SOL C 975 43.863 3.617 28.824 0.00 0.00 O +HETATM 3123 HW SOL C 975 43.839 2.771 28.310 0.00 0.00 H +HETATM 3124 HW SOL C 975 44.671 3.540 29.391 0.00 0.00 H +HETATM 3125 OW SOL C 976 41.399 23.415 51.191 0.00 0.00 O +HETATM 3126 HW SOL C 976 42.219 22.865 51.262 0.00 0.00 H +HETATM 3127 HW SOL C 976 41.705 24.340 51.370 0.00 0.00 H +HETATM 3128 OW SOL C 977 19.043 2.265 27.424 0.00 0.00 O +HETATM 3129 HW SOL C 977 19.146 1.878 26.518 0.00 0.00 H +HETATM 3130 HW SOL C 977 18.363 2.976 27.315 0.00 0.00 H +HETATM 3131 OW SOL C 978 34.270 10.810 22.731 0.00 0.00 O +HETATM 3132 HW SOL C 978 33.959 9.950 23.109 0.00 0.00 H +HETATM 3133 HW SOL C 978 35.253 10.794 22.854 0.00 0.00 H +HETATM 3134 OW SOL C 979 11.411 5.388 4.400 0.00 0.00 O +HETATM 3135 HW SOL C 979 12.031 5.806 3.750 0.00 0.00 H +HETATM 3136 HW SOL C 979 11.252 4.479 4.043 0.00 0.00 H +HETATM 3137 OW SOL C 980 12.630 31.530 7.874 0.00 0.00 O +HETATM 3138 HW SOL C 980 12.106 32.099 7.256 0.00 0.00 H +HETATM 3139 HW SOL C 980 12.642 32.034 8.726 0.00 0.00 H +HETATM 3140 OW SOL C 981 54.334 19.905 3.667 0.00 0.00 O +HETATM 3141 HW SOL C 981 53.702 20.194 2.962 0.00 0.00 H +HETATM 3142 HW SOL C 981 55.051 20.588 3.653 0.00 0.00 H +HETATM 3143 OW SOL C 982 12.335 34.998 14.746 0.00 0.00 O +HETATM 3144 HW SOL C 982 12.771 34.122 14.895 0.00 0.00 H +HETATM 3145 HW SOL C 982 13.085 35.623 14.579 0.00 0.00 H +HETATM 3146 OW SOL C 983 59.998 33.975 14.892 0.00 0.00 O +HETATM 3147 HW SOL C 983 59.649 33.385 15.606 0.00 0.00 H +HETATM 3148 HW SOL C 983 59.994 34.880 15.295 0.00 0.00 H +HETATM 3149 OW SOL C 984 52.983 57.004 59.223 0.00 0.00 O +HETATM 3150 HW SOL C 984 53.812 57.447 59.533 0.00 0.00 H +HETATM 3151 HW SOL C 984 52.251 57.551 59.605 0.00 0.00 H +HETATM 3152 OW SOL C 985 40.561 16.769 46.431 0.00 0.00 O +HETATM 3153 HW SOL C 985 39.909 16.370 45.801 0.00 0.00 H +HETATM 3154 HW SOL C 985 40.112 16.726 47.312 0.00 0.00 H +HETATM 3155 OW SOL C 986 22.938 59.519 15.539 0.00 0.00 O +HETATM 3156 HW SOL C 986 22.717 58.555 15.580 0.00 0.00 H +HETATM 3157 HW SOL C 986 22.058 59.974 15.521 0.00 0.00 H +HETATM 3158 OW SOL C 987 17.950 17.819 8.323 0.00 0.00 O +HETATM 3159 HW SOL C 987 18.019 18.607 8.919 0.00 0.00 H +HETATM 3160 HW SOL C 987 18.191 17.050 8.899 0.00 0.00 H +HETATM 3161 OW SOL C 988 46.221 53.997 7.613 0.00 0.00 O +HETATM 3162 HW SOL C 988 45.755 54.853 7.439 0.00 0.00 H +HETATM 3163 HW SOL C 988 45.500 53.371 7.876 0.00 0.00 H +HETATM 3164 OW SOL C 989 38.461 11.906 3.389 0.00 0.00 O +HETATM 3165 HW SOL C 989 39.239 12.008 3.993 0.00 0.00 H +HETATM 3166 HW SOL C 989 38.028 11.065 3.681 0.00 0.00 H +HETATM 3167 OW SOL C 990 53.917 39.929 54.160 0.00 0.00 O +HETATM 3168 HW SOL C 990 53.853 40.556 53.397 0.00 0.00 H +HETATM 3169 HW SOL C 990 54.875 39.937 54.410 0.00 0.00 H +HETATM 3170 OW SOL C 991 21.952 36.081 23.101 0.00 0.00 O +HETATM 3171 HW SOL C 991 21.448 36.620 23.761 0.00 0.00 H +HETATM 3172 HW SOL C 991 21.506 36.266 22.236 0.00 0.00 H +HETATM 3173 OW SOL C 992 29.086 12.958 45.765 0.00 0.00 O +HETATM 3174 HW SOL C 992 29.868 12.389 45.974 0.00 0.00 H +HETATM 3175 HW SOL C 992 29.469 13.753 45.316 0.00 0.00 H +HETATM 3176 OW SOL C 993 7.735 23.000 55.218 0.00 0.00 O +HETATM 3177 HW SOL C 993 8.038 23.728 55.817 0.00 0.00 H +HETATM 3178 HW SOL C 993 7.275 23.465 54.474 0.00 0.00 H +HETATM 3179 OW SOL C 994 11.598 37.917 47.942 0.00 0.00 O +HETATM 3180 HW SOL C 994 11.651 37.086 47.406 0.00 0.00 H +HETATM 3181 HW SOL C 994 10.934 38.477 47.467 0.00 0.00 H +HETATM 3182 OW SOL C 995 2.992 28.004 28.908 0.00 0.00 O +HETATM 3183 HW SOL C 995 3.087 27.820 27.940 0.00 0.00 H +HETATM 3184 HW SOL C 995 2.022 28.163 29.036 0.00 0.00 H +HETATM 3185 OW SOL C 996 11.555 51.229 0.214 0.00 0.00 O +HETATM 3186 HW SOL C 996 12.128 52.014 0.403 0.00 0.00 H +HETATM 3187 HW SOL C 996 12.121 50.448 0.442 0.00 0.00 H +HETATM 3188 OW SOL C 997 45.763 24.294 58.491 0.00 0.00 O +HETATM 3189 HW SOL C 997 44.924 24.252 59.015 0.00 0.00 H +HETATM 3190 HW SOL C 997 45.494 24.690 57.623 0.00 0.00 H +HETATM 3191 OW SOL C 998 39.340 23.197 36.808 0.00 0.00 O +HETATM 3192 HW SOL C 998 40.316 23.317 36.692 0.00 0.00 H +HETATM 3193 HW SOL C 998 38.940 23.997 36.382 0.00 0.00 H +HETATM 3194 OW SOL C 999 9.657 35.439 30.386 0.00 0.00 O +HETATM 3195 HW SOL C 999 10.499 35.632 30.870 0.00 0.00 H +HETATM 3196 HW SOL C 999 9.321 36.328 30.108 0.00 0.00 H +HETATM 3197 OW SOL C1000 52.276 28.301 26.080 0.00 0.00 O +HETATM 3198 HW SOL C1000 52.250 29.266 25.861 0.00 0.00 H +HETATM 3199 HW SOL C1000 51.384 28.110 26.466 0.00 0.00 H +HETATM 3200 OW SOL C1001 52.107 60.001 57.204 0.00 0.00 O +HETATM 3201 HW SOL C1001 52.459 59.981 56.279 0.00 0.00 H +HETATM 3202 HW SOL C1001 51.296 59.433 57.174 0.00 0.00 H +HETATM 3203 OW SOL C1002 25.544 22.560 48.161 0.00 0.00 O +HETATM 3204 HW SOL C1002 24.862 22.042 47.666 0.00 0.00 H +HETATM 3205 HW SOL C1002 25.106 23.428 48.354 0.00 0.00 H +HETATM 3206 OW SOL C1003 2.030 41.898 36.478 0.00 0.00 O +HETATM 3207 HW SOL C1003 2.519 42.030 37.329 0.00 0.00 H +HETATM 3208 HW SOL C1003 1.163 42.355 36.616 0.00 0.00 H +HETATM 3209 OW SOL C1004 12.769 50.643 58.368 0.00 0.00 O +HETATM 3210 HW SOL C1004 12.187 50.826 57.587 0.00 0.00 H +HETATM 3211 HW SOL C1004 12.336 51.124 59.118 0.00 0.00 H +HETATM 3212 OW SOL C1005 40.523 53.443 55.272 0.00 0.00 O +HETATM 3213 HW SOL C1005 40.558 54.422 55.127 0.00 0.00 H +HETATM 3214 HW SOL C1005 41.464 53.146 55.189 0.00 0.00 H +HETATM 3215 OW SOL C1006 34.500 27.848 38.858 0.00 0.00 O +HETATM 3216 HW SOL C1006 35.456 28.097 38.922 0.00 0.00 H +HETATM 3217 HW SOL C1006 34.496 26.860 38.921 0.00 0.00 H +HETATM 3218 OW SOL C1007 44.909 42.152 44.672 0.00 0.00 O +HETATM 3219 HW SOL C1007 45.049 42.991 45.179 0.00 0.00 H +HETATM 3220 HW SOL C1007 44.603 42.450 43.778 0.00 0.00 H +HETATM 3221 OW SOL C1008 52.738 40.372 37.424 0.00 0.00 O +HETATM 3222 HW SOL C1008 51.921 39.826 37.544 0.00 0.00 H +HETATM 3223 HW SOL C1008 53.383 39.762 36.985 0.00 0.00 H +HETATM 3224 OW SOL C1009 35.844 25.415 41.952 0.00 0.00 O +HETATM 3225 HW SOL C1009 35.450 25.172 42.827 0.00 0.00 H +HETATM 3226 HW SOL C1009 35.318 26.199 41.653 0.00 0.00 H +HETATM 3227 OW SOL C1010 4.879 46.917 20.220 0.00 0.00 O +HETATM 3228 HW SOL C1010 4.337 47.440 20.863 0.00 0.00 H +HETATM 3229 HW SOL C1010 4.820 45.984 20.546 0.00 0.00 H +HETATM 3230 OW SOL C1011 27.545 59.040 17.314 0.00 0.00 O +HETATM 3231 HW SOL C1011 28.449 58.904 17.695 0.00 0.00 H +HETATM 3232 HW SOL C1011 27.257 58.136 17.030 0.00 0.00 H +HETATM 3233 OW SOL C1012 39.002 26.080 41.988 0.00 0.00 O +HETATM 3234 HW SOL C1012 38.484 26.768 42.477 0.00 0.00 H +HETATM 3235 HW SOL C1012 39.324 26.544 41.174 0.00 0.00 H +HETATM 3236 OW SOL C1013 13.820 49.977 40.642 0.00 0.00 O +HETATM 3237 HW SOL C1013 13.584 50.519 41.437 0.00 0.00 H +HETATM 3238 HW SOL C1013 14.725 50.290 40.388 0.00 0.00 H +HETATM 3239 OW SOL C1014 58.383 46.871 18.238 0.00 0.00 O +HETATM 3240 HW SOL C1014 58.293 47.849 18.116 0.00 0.00 H +HETATM 3241 HW SOL C1014 58.921 46.772 19.064 0.00 0.00 H +HETATM 3242 OW SOL C1015 21.574 42.023 43.913 0.00 0.00 O +HETATM 3243 HW SOL C1015 21.478 41.070 44.161 0.00 0.00 H +HETATM 3244 HW SOL C1015 22.438 42.298 44.311 0.00 0.00 H +HETATM 3245 OW SOL C1016 46.638 21.380 25.142 0.00 0.00 O +HETATM 3246 HW SOL C1016 47.329 21.000 24.544 0.00 0.00 H +HETATM 3247 HW SOL C1016 45.880 21.596 24.542 0.00 0.00 H +HETATM 3248 OW SOL C1017 8.332 57.154 11.693 0.00 0.00 O +HETATM 3249 HW SOL C1017 7.992 57.980 12.120 0.00 0.00 H +HETATM 3250 HW SOL C1017 9.266 57.075 12.013 0.00 0.00 H +HETATM 3251 OW SOL C1018 35.577 55.343 9.667 0.00 0.00 O +HETATM 3252 HW SOL C1018 36.144 56.151 9.745 0.00 0.00 H +HETATM 3253 HW SOL C1018 36.199 54.588 9.818 0.00 0.00 H +HETATM 3254 OW SOL C1019 33.265 47.387 1.943 0.00 0.00 O +HETATM 3255 HW SOL C1019 33.154 46.433 2.181 0.00 0.00 H +HETATM 3256 HW SOL C1019 33.047 47.878 2.775 0.00 0.00 H +HETATM 3257 OW SOL C1020 36.860 56.127 46.907 0.00 0.00 O +HETATM 3258 HW SOL C1020 36.005 56.302 46.440 0.00 0.00 H +HETATM 3259 HW SOL C1020 37.260 57.023 47.037 0.00 0.00 H +HETATM 3260 OW SOL C1021 31.334 16.617 25.660 0.00 0.00 O +HETATM 3261 HW SOL C1021 31.618 15.820 25.146 0.00 0.00 H +HETATM 3262 HW SOL C1021 30.363 16.694 25.483 0.00 0.00 H +HETATM 3263 OW SOL C1022 31.473 2.123 45.449 0.00 0.00 O +HETATM 3264 HW SOL C1022 30.910 1.535 46.012 0.00 0.00 H +HETATM 3265 HW SOL C1022 31.175 1.939 44.522 0.00 0.00 H +HETATM 3266 OW SOL C1023 55.475 11.429 16.586 0.00 0.00 O +HETATM 3267 HW SOL C1023 55.336 11.622 15.625 0.00 0.00 H +HETATM 3268 HW SOL C1023 55.618 10.449 16.624 0.00 0.00 H +HETATM 3269 OW SOL C1024 35.306 40.654 12.224 0.00 0.00 O +HETATM 3270 HW SOL C1024 34.946 40.724 11.304 0.00 0.00 H +HETATM 3271 HW SOL C1024 35.594 39.710 12.306 0.00 0.00 H +HETATM 3272 OW SOL C1025 52.759 48.171 54.328 0.00 0.00 O +HETATM 3273 HW SOL C1025 51.871 47.736 54.388 0.00 0.00 H +HETATM 3274 HW SOL C1025 53.406 47.435 54.474 0.00 0.00 H +HETATM 3275 OW SOL C1026 2.058 21.293 50.119 0.00 0.00 O +HETATM 3276 HW SOL C1026 2.822 21.746 50.557 0.00 0.00 H +HETATM 3277 HW SOL C1026 2.041 21.667 49.201 0.00 0.00 H +HETATM 3278 OW SOL C1027 42.734 47.944 28.557 0.00 0.00 O +HETATM 3279 HW SOL C1027 42.951 47.559 27.671 0.00 0.00 H +HETATM 3280 HW SOL C1027 43.444 48.616 28.717 0.00 0.00 H +HETATM 3281 OW SOL C1028 4.478 42.756 19.546 0.00 0.00 O +HETATM 3282 HW SOL C1028 4.954 41.957 19.205 0.00 0.00 H +HETATM 3283 HW SOL C1028 3.518 42.528 19.460 0.00 0.00 H +HETATM 3284 OW SOL C1029 53.055 17.833 44.633 0.00 0.00 O +HETATM 3285 HW SOL C1029 52.839 16.872 44.730 0.00 0.00 H +HETATM 3286 HW SOL C1029 52.487 18.285 45.308 0.00 0.00 H 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3304 HW SOL C1035 31.383 33.943 5.508 0.00 0.00 H +HETATM 3305 OW SOL C1036 20.906 48.462 3.837 0.00 0.00 O +HETATM 3306 HW SOL C1036 20.413 49.307 3.992 0.00 0.00 H +HETATM 3307 HW SOL C1036 20.995 48.404 2.852 0.00 0.00 H +HETATM 3308 OW SOL C1037 14.414 2.736 20.398 0.00 0.00 O +HETATM 3309 HW SOL C1037 14.992 2.301 21.074 0.00 0.00 H +HETATM 3310 HW SOL C1037 14.639 3.699 20.462 0.00 0.00 H +HETATM 3311 OW SOL C1038 5.949 8.780 22.663 0.00 0.00 O +HETATM 3312 HW SOL C1038 6.058 9.724 22.383 0.00 0.00 H +HETATM 3313 HW SOL C1038 4.990 8.700 22.898 0.00 0.00 H +HETATM 3314 OW SOL C1039 57.744 54.964 27.010 0.00 0.00 O +HETATM 3315 HW SOL C1039 56.797 55.240 27.089 0.00 0.00 H +HETATM 3316 HW SOL C1039 58.252 55.814 27.023 0.00 0.00 H +HETATM 3317 OW SOL C1040 50.323 24.402 34.520 0.00 0.00 O +HETATM 3318 HW SOL C1040 50.779 23.787 35.148 0.00 0.00 H +HETATM 3319 HW SOL C1040 49.421 24.011 34.401 0.00 0.00 H +HETATM 3320 OW SOL C1041 2.482 58.708 46.530 0.00 0.00 O +HETATM 3321 HW SOL C1041 2.462 59.271 45.715 0.00 0.00 H +HETATM 3322 HW SOL C1041 1.539 58.436 46.666 0.00 0.00 H +HETATM 3323 OW SOL C1042 3.622 17.255 8.108 0.00 0.00 O +HETATM 3324 HW SOL C1042 4.557 17.015 7.891 0.00 0.00 H +HETATM 3325 HW SOL C1042 3.651 18.228 8.291 0.00 0.00 H +HETATM 3326 OW SOL C1043 55.826 38.038 53.737 0.00 0.00 O +HETATM 3327 HW SOL C1043 56.069 37.670 54.624 0.00 0.00 H +HETATM 3328 HW SOL C1043 56.512 37.676 53.121 0.00 0.00 H +HETATM 3329 OW SOL C1044 52.394 50.075 1.005 0.00 0.00 O +HETATM 3330 HW SOL C1044 52.657 50.819 0.406 0.00 0.00 H +HETATM 3331 HW SOL C1044 52.969 49.318 0.727 0.00 0.00 H +HETATM 3332 OW SOL C1045 1.751 15.199 58.604 0.00 0.00 O +HETATM 3333 HW SOL C1045 2.710 14.990 58.736 0.00 0.00 H +HETATM 3334 HW SOL C1045 1.286 14.340 58.765 0.00 0.00 H +HETATM 3335 OW SOL C1046 38.656 10.249 47.752 0.00 0.00 O +HETATM 3336 HW SOL C1046 38.718 10.602 46.829 0.00 0.00 H +HETATM 3337 HW SOL C1046 39.509 9.766 47.892 0.00 0.00 H +HETATM 3338 OW SOL C1047 50.270 6.048 20.463 0.00 0.00 O +HETATM 3339 HW SOL C1047 51.192 6.407 20.421 0.00 0.00 H +HETATM 3340 HW SOL C1047 49.695 6.806 20.187 0.00 0.00 H +HETATM 3341 OW SOL C1048 16.471 38.032 53.164 0.00 0.00 O +HETATM 3342 HW SOL C1048 16.832 37.111 53.183 0.00 0.00 H +HETATM 3343 HW SOL C1048 15.488 37.915 53.199 0.00 0.00 H +HETATM 3344 OW SOL C1049 36.868 56.250 29.349 0.00 0.00 O +HETATM 3345 HW SOL C1049 37.439 56.125 28.551 0.00 0.00 H +HETATM 3346 HW SOL C1049 36.597 57.202 29.314 0.00 0.00 H +HETATM 3347 OW SOL C1050 9.759 32.020 26.755 0.00 0.00 O +HETATM 3348 HW SOL C1050 8.999 32.191 26.145 0.00 0.00 H +HETATM 3349 HW SOL C1050 9.349 31.965 27.654 0.00 0.00 H +HETATM 3350 OW SOL C1051 45.516 58.339 30.574 0.00 0.00 O +HETATM 3351 HW SOL C1051 45.733 58.770 31.438 0.00 0.00 H +HETATM 3352 HW SOL C1051 45.922 58.931 29.891 0.00 0.00 H +HETATM 3353 OW SOL C1052 50.075 44.660 14.577 0.00 0.00 O +HETATM 3354 HW SOL C1052 49.317 45.248 14.332 0.00 0.00 H +HETATM 3355 HW SOL C1052 49.721 43.741 14.474 0.00 0.00 H +HETATM 3356 OW SOL C1053 47.332 17.381 37.159 0.00 0.00 O +HETATM 3357 HW SOL C1053 46.490 17.601 37.632 0.00 0.00 H +HETATM 3358 HW SOL C1053 47.996 18.018 37.524 0.00 0.00 H +HETATM 3359 OW SOL C1054 38.013 32.365 3.871 0.00 0.00 O +HETATM 3360 HW SOL C1054 38.170 33.331 3.720 0.00 0.00 H +HETATM 3361 HW SOL C1054 38.920 31.977 3.962 0.00 0.00 H +HETATM 3362 OW SOL C1055 56.015 3.817 2.192 0.00 0.00 O +HETATM 3363 HW SOL C1055 55.250 3.347 2.608 0.00 0.00 H +HETATM 3364 HW SOL C1055 56.811 3.460 2.661 0.00 0.00 H +HETATM 3365 OW SOL C1056 23.265 38.463 8.761 0.00 0.00 O +HETATM 3366 HW SOL C1056 23.665 39.260 8.331 0.00 0.00 H +HETATM 3367 HW SOL C1056 23.194 37.796 8.032 0.00 0.00 H +HETATM 3368 OW SOL C1057 22.353 55.010 20.731 0.00 0.00 O +HETATM 3369 HW SOL C1057 22.323 55.838 21.272 0.00 0.00 H +HETATM 3370 HW SOL C1057 22.782 54.341 21.323 0.00 0.00 H +HETATM 3371 OW SOL C1058 34.268 18.274 3.420 0.00 0.00 O +HETATM 3372 HW SOL C1058 34.271 17.469 2.843 0.00 0.00 H +HETATM 3373 HW SOL C1058 35.101 18.202 3.952 0.00 0.00 H +HETATM 3374 OW SOL C1059 5.812 52.978 53.827 0.00 0.00 O +HETATM 3375 HW SOL C1059 5.427 53.875 53.661 0.00 0.00 H +HETATM 3376 HW SOL C1059 6.005 52.967 54.799 0.00 0.00 H +HETATM 3377 OW SOL C1060 57.461 15.133 18.275 0.00 0.00 O +HETATM 3378 HW SOL C1060 56.479 15.019 18.227 0.00 0.00 H +HETATM 3379 HW SOL C1060 57.802 14.238 18.528 0.00 0.00 H +HETATM 3380 OW SOL C1061 33.938 49.952 14.918 0.00 0.00 O +HETATM 3381 HW SOL C1061 32.961 49.985 14.765 0.00 0.00 H +HETATM 3382 HW SOL C1061 34.313 50.611 14.281 0.00 0.00 H +HETATM 3383 OW SOL C1062 39.188 33.624 31.549 0.00 0.00 O +HETATM 3384 HW SOL C1062 39.142 34.583 31.309 0.00 0.00 H +HETATM 3385 HW SOL C1062 38.244 33.356 31.685 0.00 0.00 H +HETATM 3386 OW SOL C1063 48.174 43.695 51.003 0.00 0.00 O +HETATM 3387 HW SOL C1063 47.693 44.509 51.295 0.00 0.00 H +HETATM 3388 HW SOL C1063 49.132 43.945 51.043 0.00 0.00 H +HETATM 3389 OW SOL C1064 33.867 14.181 38.749 0.00 0.00 O +HETATM 3390 HW SOL C1064 34.679 14.589 39.142 0.00 0.00 H +HETATM 3391 HW SOL C1064 33.196 14.909 38.753 0.00 0.00 H +HETATM 3392 OW SOL C1065 32.396 29.590 48.815 0.00 0.00 O +HETATM 3393 HW SOL C1065 32.519 30.355 48.199 0.00 0.00 H +HETATM 3394 HW SOL C1065 31.501 29.733 49.214 0.00 0.00 H +HETATM 3395 OW SOL C1066 30.959 48.517 4.119 0.00 0.00 O +HETATM 3396 HW SOL C1066 30.984 49.294 4.733 0.00 0.00 H +HETATM 3397 HW SOL C1066 31.045 48.912 3.215 0.00 0.00 H +HETATM 3398 OW SOL C1067 18.434 8.000 23.086 0.00 0.00 O +HETATM 3399 HW SOL C1067 19.341 7.712 22.814 0.00 0.00 H +HETATM 3400 HW SOL C1067 18.498 8.986 23.160 0.00 0.00 H +HETATM 3401 OW SOL C1068 59.055 43.335 35.147 0.00 0.00 O +HETATM 3402 HW SOL C1068 59.192 44.232 34.751 0.00 0.00 H +HETATM 3403 HW SOL C1068 58.604 43.510 36.011 0.00 0.00 H +HETATM 3404 OW SOL C1069 21.680 18.347 53.062 0.00 0.00 O +HETATM 3405 HW SOL C1069 20.863 17.795 52.970 0.00 0.00 H +HETATM 3406 HW SOL C1069 21.352 19.223 53.387 0.00 0.00 H +HETATM 3407 OW SOL C1070 17.578 21.417 24.275 0.00 0.00 O +HETATM 3408 HW SOL C1070 16.952 22.099 24.626 0.00 0.00 H +HETATM 3409 HW SOL C1070 18.352 21.938 23.943 0.00 0.00 H +HETATM 3410 OW SOL C1071 28.125 7.914 58.510 0.00 0.00 O +HETATM 3411 HW SOL C1071 28.749 8.170 59.235 0.00 0.00 H +HETATM 3412 HW SOL C1071 27.351 7.511 58.978 0.00 0.00 H +HETATM 3413 OW SOL C1072 57.059 33.346 55.232 0.00 0.00 O +HETATM 3414 HW SOL C1072 56.505 33.923 54.648 0.00 0.00 H +HETATM 3415 HW SOL C1072 56.502 33.199 56.037 0.00 0.00 H +HETATM 3416 OW SOL C1073 1.251 58.074 30.633 0.00 0.00 O +HETATM 3417 HW SOL C1073 1.040 58.186 29.672 0.00 0.00 H +HETATM 3418 HW SOL C1073 0.564 58.611 31.102 0.00 0.00 H +HETATM 3419 OW SOL C1074 17.002 36.335 47.244 0.00 0.00 O +HETATM 3420 HW SOL C1074 16.364 35.665 47.596 0.00 0.00 H +HETATM 3421 HW SOL C1074 16.491 36.825 46.551 0.00 0.00 H +HETATM 3422 OW SOL C1075 48.889 59.049 28.040 0.00 0.00 O +HETATM 3423 HW SOL C1075 47.912 58.900 28.094 0.00 0.00 H +HETATM 3424 HW SOL C1075 49.288 58.210 28.383 0.00 0.00 H +HETATM 3425 OW SOL C1076 3.634 39.682 44.888 0.00 0.00 O +HETATM 3426 HW SOL C1076 4.510 40.125 45.013 0.00 0.00 H +HETATM 3427 HW SOL C1076 2.992 40.429 44.775 0.00 0.00 H +HETATM 3428 OW SOL C1077 18.977 19.041 5.513 0.00 0.00 O +HETATM 3429 HW SOL C1077 18.186 19.305 4.980 0.00 0.00 H +HETATM 3430 HW SOL C1077 18.993 18.052 5.461 0.00 0.00 H +HETATM 3431 OW SOL C1078 5.824 10.371 48.342 0.00 0.00 O +HETATM 3432 HW SOL C1078 5.157 10.165 47.639 0.00 0.00 H +HETATM 3433 HW SOL C1078 6.067 11.318 48.184 0.00 0.00 H +HETATM 3434 OW SOL C1079 56.831 5.777 17.652 0.00 0.00 O +HETATM 3435 HW SOL C1079 57.448 6.550 17.703 0.00 0.00 H +HETATM 3436 HW SOL C1079 57.199 5.122 18.297 0.00 0.00 H +HETATM 3437 OW SOL C1080 55.254 0.075 45.248 0.00 0.00 O +HETATM 3438 HW SOL C1080 54.266 0.006 45.253 0.00 0.00 H +HETATM 3439 HW SOL C1080 55.435 1.049 45.239 0.00 0.00 H +HETATM 3440 OW SOL C1081 26.928 1.774 58.686 0.00 0.00 O +HETATM 3441 HW SOL C1081 26.330 1.073 59.047 0.00 0.00 H +HETATM 3442 HW SOL C1081 27.839 1.478 58.938 0.00 0.00 H +HETATM 3443 OW SOL C1082 42.216 46.684 2.290 0.00 0.00 O +HETATM 3444 HW SOL C1082 43.162 46.453 2.467 0.00 0.00 H +HETATM 3445 HW SOL C1082 42.261 47.465 1.682 0.00 0.00 H +HETATM 3446 OW SOL C1083 49.337 16.407 23.193 0.00 0.00 O +HETATM 3447 HW SOL C1083 48.371 16.196 23.257 0.00 0.00 H +HETATM 3448 HW SOL C1083 49.366 17.355 22.909 0.00 0.00 H +HETATM 3449 OW SOL C1084 47.960 52.829 26.757 0.00 0.00 O +HETATM 3450 HW SOL C1084 48.273 51.904 26.920 0.00 0.00 H +HETATM 3451 HW SOL C1084 48.789 53.350 26.608 0.00 0.00 H +HETATM 3452 OW SOL C1085 30.845 28.244 46.636 0.00 0.00 O +HETATM 3453 HW SOL C1085 30.304 27.910 47.394 0.00 0.00 H +HETATM 3454 HW SOL C1085 30.268 28.112 45.842 0.00 0.00 H +HETATM 3455 OW SOL C1086 27.400 24.303 4.622 0.00 0.00 O +HETATM 3456 HW SOL C1086 27.403 23.321 4.747 0.00 0.00 H +HETATM 3457 HW SOL C1086 26.508 24.502 4.241 0.00 0.00 H +HETATM 3458 OW SOL C1087 7.635 29.158 28.319 0.00 0.00 O +HETATM 3459 HW SOL C1087 7.065 28.843 29.065 0.00 0.00 H +HETATM 3460 HW SOL C1087 8.009 30.018 28.638 0.00 0.00 H +HETATM 3461 OW SOL C1088 24.830 54.567 57.317 0.00 0.00 O +HETATM 3462 HW SOL C1088 24.688 53.657 56.955 0.00 0.00 H +HETATM 3463 HW SOL C1088 25.787 54.756 57.145 0.00 0.00 H +HETATM 3464 OW SOL C1089 3.296 48.572 37.123 0.00 0.00 O +HETATM 3465 HW SOL C1089 2.958 49.404 37.538 0.00 0.00 H +HETATM 3466 HW SOL C1089 2.488 48.129 36.760 0.00 0.00 H +HETATM 3467 OW SOL C1090 2.704 2.004 32.455 0.00 0.00 O +HETATM 3468 HW SOL C1090 2.105 1.276 32.152 0.00 0.00 H +HETATM 3469 HW SOL C1090 3.324 2.147 31.696 0.00 0.00 H +HETATM 3470 OW SOL C1091 4.105 42.655 45.052 0.00 0.00 O +HETATM 3471 HW SOL C1091 3.194 42.956 44.808 0.00 0.00 H +HETATM 3472 HW SOL C1091 4.705 43.170 44.455 0.00 0.00 H +HETATM 3473 OW SOL C1092 37.850 9.929 29.319 0.00 0.00 O +HETATM 3474 HW SOL C1092 36.917 10.259 29.315 0.00 0.00 H +HETATM 3475 HW SOL C1092 38.404 10.750 29.338 0.00 0.00 H +HETATM 3476 OW SOL C1093 29.529 3.821 7.526 0.00 0.00 O +HETATM 3477 HW SOL C1093 29.954 4.712 7.600 0.00 0.00 H +HETATM 3478 HW SOL C1093 30.289 3.188 7.462 0.00 0.00 H +HETATM 3479 OW SOL C1094 32.942 32.608 7.017 0.00 0.00 O +HETATM 3480 HW SOL C1094 31.976 32.417 7.114 0.00 0.00 H +HETATM 3481 HW SOL C1094 33.194 33.053 7.866 0.00 0.00 H +HETATM 3482 OW SOL C1095 20.037 20.439 47.147 0.00 0.00 O +HETATM 3483 HW SOL C1095 20.296 19.686 47.736 0.00 0.00 H +HETATM 3484 HW SOL C1095 20.304 21.250 47.649 0.00 0.00 H +HETATM 3485 OW SOL C1096 23.879 19.339 48.165 0.00 0.00 O +HETATM 3486 HW SOL C1096 23.513 18.429 48.298 0.00 0.00 H +HETATM 3487 HW SOL C1096 23.991 19.699 49.081 0.00 0.00 H +HETATM 3488 OW SOL C1097 40.384 21.209 38.334 0.00 0.00 O +HETATM 3489 HW SOL C1097 40.618 22.127 38.619 0.00 0.00 H +HETATM 3490 HW SOL C1097 41.252 20.793 38.099 0.00 0.00 H +HETATM 3491 OW SOL C1098 7.062 18.199 47.223 0.00 0.00 O +HETATM 3492 HW SOL C1098 7.814 18.398 47.835 0.00 0.00 H +HETATM 3493 HW SOL C1098 6.457 18.978 47.311 0.00 0.00 H +HETATM 3494 OW SOL C1099 33.360 26.752 44.779 0.00 0.00 O +HETATM 3495 HW SOL C1099 33.696 26.207 44.024 0.00 0.00 H +HETATM 3496 HW SOL C1099 33.272 27.666 44.406 0.00 0.00 H +HETATM 3497 OW SOL C1100 27.229 0.344 2.973 0.00 0.00 O +HETATM 3498 HW SOL C1100 28.193 0.430 3.180 0.00 0.00 H +HETATM 3499 HW SOL C1100 26.786 0.992 3.578 0.00 0.00 H +HETATM 3500 OW SOL C1101 9.577 5.250 25.979 0.00 0.00 O +HETATM 3501 HW SOL C1101 10.556 5.232 25.834 0.00 0.00 H +HETATM 3502 HW SOL C1101 9.328 4.301 26.109 0.00 0.00 H +HETATM 3503 OW SOL C1102 44.078 39.163 16.044 0.00 0.00 O +HETATM 3504 HW SOL C1102 44.607 39.931 16.376 0.00 0.00 H +HETATM 3505 HW SOL C1102 44.200 38.461 16.733 0.00 0.00 H +HETATM 3506 OW SOL C1103 15.941 4.936 38.939 0.00 0.00 O +HETATM 3507 HW SOL C1103 16.089 4.043 38.538 0.00 0.00 H +HETATM 3508 HW SOL C1103 15.109 5.264 38.514 0.00 0.00 H +HETATM 3509 OW SOL C1104 15.110 57.904 6.562 0.00 0.00 O +HETATM 3510 HW SOL C1104 14.546 58.566 7.034 0.00 0.00 H +HETATM 3511 HW SOL C1104 15.752 58.451 6.042 0.00 0.00 H +HETATM 3512 OW SOL C1105 51.139 58.392 23.448 0.00 0.00 O +HETATM 3513 HW SOL C1105 50.543 58.374 24.238 0.00 0.00 H +HETATM 3514 HW SOL C1105 51.438 57.454 23.341 0.00 0.00 H +HETATM 3515 OW SOL C1106 27.795 28.058 54.850 0.00 0.00 O +HETATM 3516 HW SOL C1106 27.650 27.345 54.180 0.00 0.00 H +HETATM 3517 HW SOL C1106 26.999 28.642 54.768 0.00 0.00 H +HETATM 3518 OW SOL C1107 23.983 18.635 40.153 0.00 0.00 O +HETATM 3519 HW SOL C1107 23.064 18.268 40.139 0.00 0.00 H +HETATM 3520 HW SOL C1107 24.269 18.553 41.098 0.00 0.00 H +HETATM 3521 OW SOL C1108 30.574 25.206 3.890 0.00 0.00 O +HETATM 3522 HW SOL C1108 29.958 25.928 3.608 0.00 0.00 H +HETATM 3523 HW SOL C1108 30.438 24.489 3.221 0.00 0.00 H +HETATM 3524 OW SOL C1109 52.557 51.739 34.371 0.00 0.00 O +HETATM 3525 HW SOL C1109 52.205 51.074 35.015 0.00 0.00 H +HETATM 3526 HW SOL C1109 52.812 52.516 34.931 0.00 0.00 H +HETATM 3527 OW SOL C1110 6.811 1.042 34.310 0.00 0.00 O +HETATM 3528 HW SOL C1110 6.224 0.729 33.577 0.00 0.00 H +HETATM 3529 HW SOL C1110 6.993 1.991 34.095 0.00 0.00 H +HETATM 3530 OW SOL C1111 57.148 4.704 10.189 0.00 0.00 O +HETATM 3531 HW SOL C1111 57.874 4.042 10.307 0.00 0.00 H +HETATM 3532 HW SOL C1111 57.476 5.308 9.476 0.00 0.00 H +HETATM 3533 OW SOL C1112 5.580 30.658 9.062 0.00 0.00 O +HETATM 3534 HW SOL C1112 5.433 30.744 10.038 0.00 0.00 H +HETATM 3535 HW SOL C1112 4.852 31.192 8.654 0.00 0.00 H +HETATM 3536 OW SOL C1113 13.225 18.034 9.753 0.00 0.00 O +HETATM 3537 HW SOL C1113 13.352 17.052 9.755 0.00 0.00 H +HETATM 3538 HW SOL C1113 12.242 18.158 9.739 0.00 0.00 H +HETATM 3539 OW SOL C1114 25.694 14.277 45.474 0.00 0.00 O +HETATM 3540 HW SOL C1114 26.411 13.891 44.910 0.00 0.00 H +HETATM 3541 HW SOL C1114 26.113 14.390 46.364 0.00 0.00 H +HETATM 3542 OW SOL C1115 15.855 32.856 24.714 0.00 0.00 O +HETATM 3543 HW SOL C1115 16.389 32.587 23.926 0.00 0.00 H +HETATM 3544 HW SOL C1115 16.492 32.816 25.471 0.00 0.00 H +HETATM 3545 OW SOL C1116 55.961 56.577 47.404 0.00 0.00 O +HETATM 3546 HW SOL C1116 55.326 57.330 47.304 0.00 0.00 H +HETATM 3547 HW SOL C1116 55.390 55.767 47.393 0.00 0.00 H +HETATM 3548 OW SOL C1117 59.996 11.609 52.368 0.00 0.00 O +HETATM 3549 HW SOL C1117 59.198 12.070 52.007 0.00 0.00 H +HETATM 3550 HW SOL C1117 59.702 10.673 52.502 0.00 0.00 H +HETATM 3551 OW SOL C1118 59.223 52.533 54.402 0.00 0.00 O +HETATM 3552 HW SOL C1118 59.484 51.635 54.077 0.00 0.00 H +HETATM 3553 HW SOL C1118 59.296 52.471 55.388 0.00 0.00 H +HETATM 3554 OW SOL C1119 16.975 35.198 52.074 0.00 0.00 O +HETATM 3555 HW SOL C1119 16.233 34.640 52.418 0.00 0.00 H +HETATM 3556 HW SOL C1119 16.727 35.389 51.134 0.00 0.00 H +HETATM 3557 OW SOL C1120 10.021 11.871 34.032 0.00 0.00 O +HETATM 3558 HW SOL C1120 9.404 11.294 33.515 0.00 0.00 H +HETATM 3559 HW SOL C1120 10.789 12.020 33.425 0.00 0.00 H +HETATM 3560 OW SOL C1121 26.997 21.508 22.328 0.00 0.00 O +HETATM 3561 HW SOL C1121 27.968 21.662 22.444 0.00 0.00 H +HETATM 3562 HW SOL C1121 26.592 22.408 22.409 0.00 0.00 H +HETATM 3563 OW SOL C1122 11.601 45.324 42.499 0.00 0.00 O +HETATM 3564 HW SOL C1122 10.812 45.898 42.329 0.00 0.00 H +HETATM 3565 HW SOL C1122 11.397 44.868 43.353 0.00 0.00 H +HETATM 3566 OW SOL C1123 49.713 29.928 28.131 0.00 0.00 O +HETATM 3567 HW SOL C1123 50.277 29.115 28.130 0.00 0.00 H +HETATM 3568 HW SOL C1123 48.783 29.586 28.131 0.00 0.00 H +HETATM 3569 OW SOL C1124 37.340 54.688 44.217 0.00 0.00 O +HETATM 3570 HW SOL C1124 36.497 54.597 44.728 0.00 0.00 H +HETATM 3571 HW SOL C1124 37.645 53.756 44.074 0.00 0.00 H +HETATM 3572 OW SOL C1125 1.237 18.871 55.026 0.00 0.00 O +HETATM 3573 HW SOL C1125 0.504 19.536 55.035 0.00 0.00 H +HETATM 3574 HW SOL C1125 2.062 19.411 54.925 0.00 0.00 H +HETATM 3575 OW SOL C1126 19.712 13.651 7.898 0.00 0.00 O +HETATM 3576 HW SOL C1126 19.832 12.675 7.780 0.00 0.00 H +HETATM 3577 HW SOL C1126 18.730 13.784 7.879 0.00 0.00 H +HETATM 3578 OW SOL C1127 55.464 24.830 49.226 0.00 0.00 O +HETATM 3579 HW SOL C1127 54.599 25.288 49.074 0.00 0.00 H +HETATM 3580 HW SOL C1127 56.002 25.041 48.422 0.00 0.00 H +HETATM 3581 OW SOL C1128 21.395 46.342 45.928 0.00 0.00 O +HETATM 3582 HW SOL C1128 20.956 45.890 46.692 0.00 0.00 H +HETATM 3583 HW SOL C1128 21.411 45.659 45.211 0.00 0.00 H +HETATM 3584 OW SOL C1129 5.840 3.222 27.023 0.00 0.00 O +HETATM 3585 HW SOL C1129 5.527 4.107 26.708 0.00 0.00 H +HETATM 3586 HW SOL C1129 6.810 3.344 27.183 0.00 0.00 H +HETATM 3587 OW SOL C1130 27.475 20.742 49.291 0.00 0.00 O +HETATM 3588 HW SOL C1130 27.267 20.156 50.061 0.00 0.00 H +HETATM 3589 HW SOL C1130 26.903 20.402 48.558 0.00 0.00 H +HETATM 3590 OW SOL C1131 46.735 49.306 1.286 0.00 0.00 O +HETATM 3591 HW SOL C1131 47.513 48.850 0.877 0.00 0.00 H +HETATM 3592 HW SOL C1131 46.274 49.741 0.524 0.00 0.00 H +HETATM 3593 OW SOL C1132 43.505 38.916 51.383 0.00 0.00 O +HETATM 3594 HW SOL C1132 42.841 38.329 51.824 0.00 0.00 H +HETATM 3595 HW SOL C1132 42.962 39.537 50.835 0.00 0.00 H +HETATM 3596 OW SOL C1133 47.399 10.682 24.617 0.00 0.00 O +HETATM 3597 HW SOL C1133 47.173 11.291 23.870 0.00 0.00 H +HETATM 3598 HW SOL C1133 47.092 11.161 25.428 0.00 0.00 H +HETATM 3599 OW SOL C1134 20.921 54.239 40.032 0.00 0.00 O +HETATM 3600 HW SOL C1134 20.028 53.815 40.081 0.00 0.00 H +HETATM 3601 HW SOL C1134 20.731 55.208 39.953 0.00 0.00 H +HETATM 3602 OW SOL C1135 31.913 38.698 7.172 0.00 0.00 O +HETATM 3603 HW SOL C1135 32.209 37.811 6.847 0.00 0.00 H +HETATM 3604 HW SOL C1135 31.002 38.808 6.802 0.00 0.00 H +HETATM 3605 OW SOL C1136 16.593 26.141 55.022 0.00 0.00 O +HETATM 3606 HW SOL C1136 16.982 26.143 54.112 0.00 0.00 H +HETATM 3607 HW SOL C1136 16.789 27.045 55.378 0.00 0.00 H +HETATM 3608 OW SOL C1137 1.228 38.076 33.145 0.00 0.00 O +HETATM 3609 HW SOL C1137 0.906 39.011 33.110 0.00 0.00 H +HETATM 3610 HW SOL C1137 0.643 37.588 32.512 0.00 0.00 H +HETATM 3611 OW SOL C1138 42.217 51.786 19.297 0.00 0.00 O +HETATM 3612 HW SOL C1138 43.054 52.238 19.022 0.00 0.00 H +HETATM 3613 HW SOL C1138 41.497 52.312 18.866 0.00 0.00 H +HETATM 3614 OW SOL C1139 40.681 2.512 27.713 0.00 0.00 O +HETATM 3615 HW SOL C1139 41.215 2.330 28.527 0.00 0.00 H +HETATM 3616 HW SOL C1139 40.113 3.286 27.957 0.00 0.00 H +HETATM 3617 OW SOL C1140 23.687 5.970 44.894 0.00 0.00 O +HETATM 3618 HW SOL C1140 23.453 6.300 45.798 0.00 0.00 H +HETATM 3619 HW SOL C1140 24.215 5.149 45.058 0.00 0.00 H +HETATM 3620 OW SOL C1141 13.114 28.397 51.594 0.00 0.00 O +HETATM 3621 HW SOL C1141 12.406 28.081 52.209 0.00 0.00 H +HETATM 3622 HW SOL C1141 12.634 28.943 50.921 0.00 0.00 H +HETATM 3623 OW SOL C1142 49.561 26.937 42.445 0.00 0.00 O +HETATM 3624 HW SOL C1142 48.788 26.920 43.063 0.00 0.00 H +HETATM 3625 HW SOL C1142 49.654 27.890 42.191 0.00 0.00 H +HETATM 3626 OW SOL C1143 15.033 52.726 3.802 0.00 0.00 O +HETATM 3627 HW SOL C1143 16.013 52.630 3.896 0.00 0.00 H +HETATM 3628 HW SOL C1143 14.866 53.695 3.919 0.00 0.00 H +HETATM 3629 OW SOL C1144 51.694 59.657 2.260 0.00 0.00 O +HETATM 3630 HW SOL C1144 51.005 59.751 1.554 0.00 0.00 H +HETATM 3631 HW SOL C1144 51.716 58.687 2.457 0.00 0.00 H +HETATM 3632 OW SOL C1145 45.918 42.356 35.691 0.00 0.00 O +HETATM 3633 HW SOL C1145 46.468 42.979 35.153 0.00 0.00 H +HETATM 3634 HW SOL C1145 44.998 42.717 35.623 0.00 0.00 H +HETATM 3635 OW SOL C1146 28.302 10.205 10.550 0.00 0.00 O +HETATM 3636 HW SOL C1146 27.351 10.426 10.716 0.00 0.00 H +HETATM 3637 HW SOL C1146 28.766 11.079 10.557 0.00 0.00 H +HETATM 3638 OW SOL C1147 2.884 14.716 56.560 0.00 0.00 O +HETATM 3639 HW SOL C1147 2.043 14.208 56.442 0.00 0.00 H +HETATM 3640 HW SOL C1147 2.611 15.667 56.503 0.00 0.00 H +HETATM 3641 OW SOL C1148 56.267 34.666 11.962 0.00 0.00 O +HETATM 3642 HW SOL C1148 56.754 34.666 11.099 0.00 0.00 H +HETATM 3643 HW SOL C1148 56.345 33.734 12.290 0.00 0.00 H +HETATM 3644 OW SOL C1149 4.467 49.073 44.698 0.00 0.00 O +HETATM 3645 HW SOL C1149 4.630 48.103 44.809 0.00 0.00 H +HETATM 3646 HW SOL C1149 4.302 49.404 45.617 0.00 0.00 H +HETATM 3647 OW SOL C1150 49.866 58.576 12.707 0.00 0.00 O +HETATM 3648 HW SOL C1150 50.318 57.708 12.555 0.00 0.00 H +HETATM 3649 HW SOL C1150 48.905 58.348 12.778 0.00 0.00 H +HETATM 3650 OW SOL C1151 39.521 23.585 28.991 0.00 0.00 O +HETATM 3651 HW SOL C1151 40.039 22.818 28.641 0.00 0.00 H +HETATM 3652 HW SOL C1151 39.846 24.363 28.471 0.00 0.00 H +HETATM 3653 OW SOL C1152 58.300 41.495 8.921 0.00 0.00 O +HETATM 3654 HW SOL C1152 58.666 41.090 8.096 0.00 0.00 H +HETATM 3655 HW SOL C1152 59.066 41.978 9.322 0.00 0.00 H +HETATM 3656 OW SOL C1153 51.630 57.123 55.236 0.00 0.00 O +HETATM 3657 HW SOL C1153 51.105 57.386 56.033 0.00 0.00 H +HETATM 3658 HW SOL C1153 52.080 57.957 54.949 0.00 0.00 H +HETATM 3659 OW SOL C1154 47.414 12.928 33.674 0.00 0.00 O +HETATM 3660 HW SOL C1154 48.176 12.808 33.052 0.00 0.00 H +HETATM 3661 HW SOL C1154 46.989 12.035 33.721 0.00 0.00 H +HETATM 3662 OW SOL C1155 5.619 5.921 12.761 0.00 0.00 O +HETATM 3663 HW SOL C1155 4.887 6.584 12.699 0.00 0.00 H +HETATM 3664 HW SOL C1155 6.438 6.466 12.882 0.00 0.00 H +HETATM 3665 OW SOL C1156 57.850 23.440 35.149 0.00 0.00 O +HETATM 3666 HW SOL C1156 57.342 23.922 34.449 0.00 0.00 H +HETATM 3667 HW SOL C1156 58.763 23.351 34.777 0.00 0.00 H +HETATM 3668 OW SOL C1157 25.875 32.725 38.220 0.00 0.00 O +HETATM 3669 HW SOL C1157 26.303 31.835 38.161 0.00 0.00 H +HETATM 3670 HW SOL C1157 24.934 32.533 38.464 0.00 0.00 H +HETATM 3671 OW SOL C1158 20.699 45.592 59.720 0.00 0.00 O +HETATM 3672 HW SOL C1158 19.786 45.828 59.421 0.00 0.00 H +HETATM 3673 HW SOL C1158 20.654 44.621 59.913 0.00 0.00 H +HETATM 3674 OW SOL C1159 43.514 33.130 53.556 0.00 0.00 O +HETATM 3675 HW SOL C1159 42.714 32.688 53.178 0.00 0.00 H +HETATM 3676 HW SOL C1159 43.239 34.073 53.687 0.00 0.00 H +HETATM 3677 OW SOL C1160 34.065 42.857 56.798 0.00 0.00 O +HETATM 3678 HW SOL C1160 33.729 43.613 57.341 0.00 0.00 H +HETATM 3679 HW SOL C1160 34.521 42.267 57.449 0.00 0.00 H +HETATM 3680 OW SOL C1161 38.469 34.370 41.665 0.00 0.00 O +HETATM 3681 HW SOL C1161 38.733 35.252 42.029 0.00 0.00 H +HETATM 3682 HW SOL C1161 37.485 34.425 41.569 0.00 0.00 H +HETATM 3683 OW SOL C1162 39.757 49.751 24.887 0.00 0.00 O +HETATM 3684 HW SOL C1162 39.822 49.836 25.871 0.00 0.00 H +HETATM 3685 HW SOL C1162 40.689 49.600 24.588 0.00 0.00 H +HETATM 3686 OW SOL C1163 5.754 40.922 49.348 0.00 0.00 O +HETATM 3687 HW SOL C1163 5.264 41.775 49.454 0.00 0.00 H +HETATM 3688 HW SOL C1163 6.593 41.173 48.884 0.00 0.00 H +HETATM 3689 OW SOL C1164 39.393 44.732 8.739 0.00 0.00 O +HETATM 3690 HW SOL C1164 39.580 45.335 9.502 0.00 0.00 H +HETATM 3691 HW SOL C1164 39.850 43.885 8.974 0.00 0.00 H +HETATM 3692 OW SOL C1165 54.629 38.381 9.338 0.00 0.00 O +HETATM 3693 HW SOL C1165 55.236 39.072 9.705 0.00 0.00 H +HETATM 3694 HW SOL C1165 55.234 37.677 8.992 0.00 0.00 H +HETATM 3695 OW SOL C1166 47.526 7.239 56.276 0.00 0.00 O +HETATM 3696 HW SOL C1166 48.098 8.017 56.060 0.00 0.00 H +HETATM 3697 HW SOL C1166 47.634 7.114 57.253 0.00 0.00 H +HETATM 3698 OW SOL C1167 13.066 26.866 30.618 0.00 0.00 O +HETATM 3699 HW SOL C1167 13.769 27.304 31.160 0.00 0.00 H +HETATM 3700 HW SOL C1167 13.451 25.987 30.375 0.00 0.00 H +HETATM 3701 OW SOL C1168 51.399 41.012 6.548 0.00 0.00 O +HETATM 3702 HW SOL C1168 50.509 41.407 6.725 0.00 0.00 H +HETATM 3703 HW SOL C1168 52.029 41.772 6.627 0.00 0.00 H +HETATM 3704 OW SOL C1169 26.545 30.579 43.172 0.00 0.00 O +HETATM 3705 HW SOL C1169 26.746 31.548 43.165 0.00 0.00 H +HETATM 3706 HW SOL C1169 25.582 30.523 42.950 0.00 0.00 H +HETATM 3707 OW SOL C1170 14.718 5.310 56.402 0.00 0.00 O +HETATM 3708 HW SOL C1170 14.313 4.406 56.401 0.00 0.00 H +HETATM 3709 HW SOL C1170 15.571 5.198 56.893 0.00 0.00 H +HETATM 3710 OW SOL C1171 24.136 3.880 13.519 0.00 0.00 O +HETATM 3711 HW SOL C1171 24.486 4.313 12.700 0.00 0.00 H +HETATM 3712 HW SOL C1171 24.941 3.706 14.070 0.00 0.00 H +HETATM 3713 OW SOL C1172 3.439 14.370 13.917 0.00 0.00 O +HETATM 3714 HW SOL C1172 3.473 15.342 13.733 0.00 0.00 H +HETATM 3715 HW SOL C1172 2.724 14.030 13.322 0.00 0.00 H +HETATM 3716 OW SOL C1173 11.405 12.259 15.409 0.00 0.00 O +HETATM 3717 HW SOL C1173 12.108 12.645 15.989 0.00 0.00 H +HETATM 3718 HW SOL C1173 11.759 11.373 15.144 0.00 0.00 H +HETATM 3719 OW SOL C1174 37.564 25.665 33.263 0.00 0.00 O +HETATM 3720 HW SOL C1174 38.492 25.321 33.257 0.00 0.00 H +HETATM 3721 HW SOL C1174 37.045 24.988 32.759 0.00 0.00 H +HETATM 3722 OW SOL C1175 14.769 30.763 53.554 0.00 0.00 O +HETATM 3723 HW SOL C1175 14.597 29.788 53.558 0.00 0.00 H +HETATM 3724 HW SOL C1175 13.924 31.163 53.225 0.00 0.00 H +HETATM 3725 OW SOL C1176 18.764 29.254 28.269 0.00 0.00 O +HETATM 3726 HW SOL C1176 18.665 28.457 27.690 0.00 0.00 H +HETATM 3727 HW SOL C1176 19.729 29.283 28.490 0.00 0.00 H +HETATM 3728 OW SOL C1177 58.234 6.231 55.282 0.00 0.00 O +HETATM 3729 HW SOL C1177 58.654 5.335 55.298 0.00 0.00 H +HETATM 3730 HW SOL C1177 57.262 6.052 55.345 0.00 0.00 H +HETATM 3731 OW SOL C1178 38.457 33.203 56.019 0.00 0.00 O +HETATM 3732 HW SOL C1178 38.498 32.244 56.261 0.00 0.00 H +HETATM 3733 HW SOL C1178 39.401 33.464 55.873 0.00 0.00 H +HETATM 3734 OW SOL C1179 0.729 54.740 48.324 0.00 0.00 O +HETATM 3735 HW SOL C1179 0.938 55.673 48.065 0.00 0.00 H +HETATM 3736 HW SOL C1179 1.446 54.200 47.906 0.00 0.00 H +HETATM 3737 OW SOL C1180 50.826 28.403 18.919 0.00 0.00 O +HETATM 3738 HW SOL C1180 51.524 29.090 19.063 0.00 0.00 H +HETATM 3739 HW SOL C1180 50.861 28.213 17.948 0.00 0.00 H +HETATM 3740 OW SOL C1181 4.981 10.988 24.930 0.00 0.00 O +HETATM 3741 HW SOL C1181 4.984 11.977 24.977 0.00 0.00 H +HETATM 3742 HW SOL C1181 4.025 10.747 24.837 0.00 0.00 H +HETATM 3743 OW SOL C1182 17.562 3.429 7.206 0.00 0.00 O +HETATM 3744 HW SOL C1182 16.637 3.577 7.526 0.00 0.00 H +HETATM 3745 HW SOL C1182 17.457 3.145 6.263 0.00 0.00 H +HETATM 3746 OW SOL C1183 49.799 1.796 44.186 0.00 0.00 O +HETATM 3747 HW SOL C1183 49.221 2.407 44.710 0.00 0.00 H +HETATM 3748 HW SOL C1183 49.767 0.939 44.681 0.00 0.00 H +HETATM 3749 OW SOL C1184 50.543 33.051 11.821 0.00 0.00 O +HETATM 3750 HW SOL C1184 49.606 32.781 11.992 0.00 0.00 H +HETATM 3751 HW SOL C1184 50.493 34.025 11.646 0.00 0.00 H +HETATM 3752 OW SOL C1185 34.690 21.913 10.902 0.00 0.00 O +HETATM 3753 HW SOL C1185 34.334 21.142 10.393 0.00 0.00 H +HETATM 3754 HW SOL C1185 34.848 21.559 11.813 0.00 0.00 H +HETATM 3755 OW SOL C1186 15.022 9.792 59.241 0.00 0.00 O +HETATM 3756 HW SOL C1186 14.369 9.298 58.683 0.00 0.00 H +HETATM 3757 HW SOL C1186 15.885 9.336 59.074 0.00 0.00 H +HETATM 3758 OW SOL C1187 5.406 41.629 40.857 0.00 0.00 O +HETATM 3759 HW SOL C1187 6.066 41.826 41.568 0.00 0.00 H +HETATM 3760 HW SOL C1187 4.821 40.931 41.247 0.00 0.00 H +HETATM 3761 OW SOL C1188 24.064 53.435 28.658 0.00 0.00 O +HETATM 3762 HW SOL C1188 24.653 53.061 29.360 0.00 0.00 H +HETATM 3763 HW SOL C1188 23.854 54.350 28.972 0.00 0.00 H +HETATM 3764 OW SOL C1189 52.622 16.397 55.331 0.00 0.00 O +HETATM 3765 HW SOL C1189 51.732 16.060 55.059 0.00 0.00 H +HETATM 3766 HW SOL C1189 53.206 15.597 55.317 0.00 0.00 H +HETATM 3767 OW SOL C1190 37.770 7.150 33.592 0.00 0.00 O +HETATM 3768 HW SOL C1190 38.437 7.663 34.113 0.00 0.00 H +HETATM 3769 HW SOL C1190 38.308 6.501 33.071 0.00 0.00 H +HETATM 3770 OW SOL C1191 51.064 22.118 56.213 0.00 0.00 O +HETATM 3771 HW SOL C1191 51.471 22.174 55.313 0.00 0.00 H +HETATM 3772 HW SOL C1191 50.088 22.110 56.044 0.00 0.00 H +HETATM 3773 OW SOL C1192 50.236 14.556 58.837 0.00 0.00 O +HETATM 3774 HW SOL C1192 50.886 14.153 58.208 0.00 0.00 H +HETATM 3775 HW SOL C1192 50.299 13.996 59.651 0.00 0.00 H +HETATM 3776 OW SOL C1193 37.629 0.610 58.858 0.00 0.00 O +HETATM 3777 HW SOL C1193 36.884 0.010 58.602 0.00 0.00 H +HETATM 3778 HW SOL C1193 37.188 1.462 59.103 0.00 0.00 H +HETATM 3779 OW SOL C1194 1.896 36.100 0.761 0.00 0.00 O +HETATM 3780 HW SOL C1194 1.214 35.914 1.454 0.00 0.00 H +HETATM 3781 HW SOL C1194 1.946 37.088 0.720 0.00 0.00 H +HETATM 3782 OW SOL C1195 33.603 3.147 58.459 0.00 0.00 O +HETATM 3783 HW SOL C1195 34.151 3.241 59.278 0.00 0.00 H +HETATM 3784 HW SOL C1195 32.731 2.804 58.780 0.00 0.00 H +HETATM 3785 OW SOL C1196 46.908 25.269 33.151 0.00 0.00 O +HETATM 3786 HW SOL C1196 46.440 24.397 33.129 0.00 0.00 H +HETATM 3787 HW SOL C1196 47.870 25.034 33.142 0.00 0.00 H +HETATM 3788 OW SOL C1197 41.903 15.645 49.373 0.00 0.00 O +HETATM 3789 HW SOL C1197 42.608 16.302 49.146 0.00 0.00 H +HETATM 3790 HW SOL C1197 41.349 16.100 50.056 0.00 0.00 H +HETATM 3791 OW SOL C1198 39.579 18.903 40.226 0.00 0.00 O +HETATM 3792 HW SOL C1198 40.287 18.221 40.343 0.00 0.00 H +HETATM 3793 HW SOL C1198 39.151 18.972 41.117 0.00 0.00 H +HETATM 3794 OW SOL C1199 23.103 47.190 10.867 0.00 0.00 O +HETATM 3795 HW SOL C1199 22.181 47.420 11.144 0.00 0.00 H +HETATM 3796 HW SOL C1199 23.649 47.965 11.151 0.00 0.00 H +HETATM 3797 OW SOL C1200 11.952 27.680 58.639 0.00 0.00 O +HETATM 3798 HW SOL C1200 12.640 28.047 58.029 0.00 0.00 H +HETATM 3799 HW SOL C1200 11.365 28.451 58.844 0.00 0.00 H +HETATM 3800 OW SOL C1201 17.222 41.328 15.697 0.00 0.00 O +HETATM 3801 HW SOL C1201 16.787 41.738 14.908 0.00 0.00 H +HETATM 3802 HW SOL C1201 17.490 40.425 15.391 0.00 0.00 H +HETATM 3803 OW SOL C1202 54.474 53.154 37.019 0.00 0.00 O +HETATM 3804 HW SOL C1202 54.519 52.378 36.405 0.00 0.00 H +HETATM 3805 HW SOL C1202 55.226 53.735 36.740 0.00 0.00 H +HETATM 3806 OW SOL C1203 46.616 20.078 48.605 0.00 0.00 O +HETATM 3807 HW SOL C1203 46.371 19.120 48.557 0.00 0.00 H +HETATM 3808 HW SOL C1203 45.850 20.551 48.193 0.00 0.00 H +HETATM 3809 OW SOL C1204 13.529 20.664 3.585 0.00 0.00 O +HETATM 3810 HW SOL C1204 14.005 21.472 3.270 0.00 0.00 H +HETATM 3811 HW SOL C1204 12.839 21.008 4.207 0.00 0.00 H +HETATM 3812 OW SOL C1205 7.845 38.357 31.996 0.00 0.00 O +HETATM 3813 HW SOL C1205 7.605 38.828 32.833 0.00 0.00 H +HETATM 3814 HW SOL C1205 7.731 37.396 32.210 0.00 0.00 H +HETATM 3815 OW SOL C1206 45.261 38.217 21.055 0.00 0.00 O +HETATM 3816 HW SOL C1206 46.096 37.899 20.629 0.00 0.00 H +HETATM 3817 HW SOL C1206 45.487 39.118 21.400 0.00 0.00 H +HETATM 3818 OW SOL C1207 33.948 28.635 13.420 0.00 0.00 O +HETATM 3819 HW SOL C1207 34.212 29.407 12.860 0.00 0.00 H +HETATM 3820 HW SOL C1207 33.952 27.864 12.798 0.00 0.00 H +HETATM 3821 OW SOL C1208 50.022 57.515 20.908 0.00 0.00 O +HETATM 3822 HW SOL C1208 50.461 58.280 21.357 0.00 0.00 H +HETATM 3823 HW SOL C1208 50.427 57.490 20.005 0.00 0.00 H +HETATM 3824 OW SOL C1209 24.596 59.329 26.263 0.00 0.00 O +HETATM 3825 HW SOL C1209 24.024 59.657 27.001 0.00 0.00 H +HETATM 3826 HW SOL C1209 23.988 59.272 25.483 0.00 0.00 H +HETATM 3827 OW SOL C1210 39.513 29.676 15.589 0.00 0.00 O +HETATM 3828 HW SOL C1210 39.806 29.177 16.392 0.00 0.00 H +HETATM 3829 HW SOL C1210 39.835 29.132 14.826 0.00 0.00 H +HETATM 3830 OW SOL C1211 53.969 32.465 13.771 0.00 0.00 O +HETATM 3831 HW SOL C1211 53.686 31.517 13.731 0.00 0.00 H +HETATM 3832 HW SOL C1211 54.926 32.449 13.516 0.00 0.00 H +HETATM 3833 OW SOL C1212 2.239 46.025 47.110 0.00 0.00 O +HETATM 3834 HW SOL C1212 2.731 46.843 47.373 0.00 0.00 H +HETATM 3835 HW SOL C1212 2.947 45.362 46.910 0.00 0.00 H +HETATM 3836 OW SOL C1213 36.109 2.917 54.382 0.00 0.00 O +HETATM 3837 HW SOL C1213 36.044 2.084 53.852 0.00 0.00 H +HETATM 3838 HW SOL C1213 36.911 3.377 54.025 0.00 0.00 H +HETATM 3839 OW SOL C1214 40.738 20.152 13.240 0.00 0.00 O +HETATM 3840 HW SOL C1214 41.651 19.808 13.413 0.00 0.00 H +HETATM 3841 HW SOL C1214 40.882 21.022 12.789 0.00 0.00 H +HETATM 3842 OW SOL C1215 35.841 46.660 0.211 0.00 0.00 O +HETATM 3843 HW SOL C1215 34.882 46.509 0.402 0.00 0.00 H +HETATM 3844 HW SOL C1215 35.916 47.638 0.075 0.00 0.00 H +HETATM 3845 OW SOL C1216 28.948 32.100 18.763 0.00 0.00 O +HETATM 3846 HW SOL C1216 29.255 32.518 19.606 0.00 0.00 H +HETATM 3847 HW SOL C1216 28.999 31.126 18.936 0.00 0.00 H +HETATM 3848 OW SOL C1217 18.278 14.778 35.016 0.00 0.00 O +HETATM 3849 HW SOL C1217 18.584 15.714 35.115 0.00 0.00 H +HETATM 3850 HW SOL C1217 19.052 14.232 35.307 0.00 0.00 H +HETATM 3851 OW SOL C1218 53.109 3.043 29.977 0.00 0.00 O +HETATM 3852 HW SOL C1218 52.208 3.454 29.980 0.00 0.00 H +HETATM 3853 HW SOL C1218 53.711 3.762 30.296 0.00 0.00 H +HETATM 3854 OW SOL C1219 18.522 41.031 48.384 0.00 0.00 O +HETATM 3855 HW SOL C1219 18.262 41.866 48.847 0.00 0.00 H +HETATM 3856 HW SOL C1219 17.664 40.575 48.194 0.00 0.00 H +HETATM 3857 OW SOL C1220 36.473 26.817 15.784 0.00 0.00 O +HETATM 3858 HW SOL C1220 37.260 26.245 15.967 0.00 0.00 H +HETATM 3859 HW SOL C1220 36.449 27.456 16.540 0.00 0.00 H +HETATM 3860 OW SOL C1221 38.010 26.035 37.328 0.00 0.00 O +HETATM 3861 HW SOL C1221 37.682 25.303 37.907 0.00 0.00 H +HETATM 3862 HW SOL C1221 37.665 26.861 37.752 0.00 0.00 H +HETATM 3863 OW SOL C1222 51.179 47.974 57.697 0.00 0.00 O +HETATM 3864 HW SOL C1222 51.221 46.991 57.585 0.00 0.00 H +HETATM 3865 HW SOL C1222 52.084 48.226 58.012 0.00 0.00 H +HETATM 3866 OW SOL C1223 38.261 31.293 10.853 0.00 0.00 O +HETATM 3867 HW SOL C1223 38.566 30.908 9.993 0.00 0.00 H +HETATM 3868 HW SOL C1223 38.139 30.510 11.447 0.00 0.00 H +HETATM 3869 OW SOL C1224 7.666 34.567 27.996 0.00 0.00 O +HETATM 3870 HW SOL C1224 7.660 35.434 28.474 0.00 0.00 H +HETATM 3871 HW SOL C1224 6.816 34.133 28.258 0.00 0.00 H +HETATM 3872 OW SOL C1225 57.855 0.697 7.368 0.00 0.00 O +HETATM 3873 HW SOL C1225 56.868 0.738 7.304 0.00 0.00 H +HETATM 3874 HW SOL C1225 58.168 1.520 6.915 0.00 0.00 H +HETATM 3875 OW SOL C1226 54.319 23.469 46.818 0.00 0.00 O +HETATM 3876 HW SOL C1226 55.231 23.842 46.720 0.00 0.00 H +HETATM 3877 HW SOL C1226 54.443 22.489 46.746 0.00 0.00 H +HETATM 3878 OW SOL C1227 18.077 24.974 19.480 0.00 0.00 O +HETATM 3879 HW SOL C1227 18.706 24.660 18.783 0.00 0.00 H +HETATM 3880 HW SOL C1227 17.188 24.940 19.046 0.00 0.00 H +HETATM 3881 OW SOL C1228 8.556 49.435 15.575 0.00 0.00 O +HETATM 3882 HW SOL C1228 9.196 49.979 16.098 0.00 0.00 H +HETATM 3883 HW SOL C1228 8.317 50.008 14.803 0.00 0.00 H +HETATM 3884 OW SOL C1229 7.656 1.142 16.333 0.00 0.00 O +HETATM 3885 HW SOL C1229 6.829 1.423 16.800 0.00 0.00 H +HETATM 3886 HW SOL C1229 8.242 1.940 16.362 0.00 0.00 H +HETATM 3887 OW SOL C1230 6.088 45.777 43.442 0.00 0.00 O +HETATM 3888 HW SOL C1230 6.938 45.875 43.941 0.00 0.00 H +HETATM 3889 HW SOL C1230 6.364 45.488 42.536 0.00 0.00 H +HETATM 3890 OW SOL C1231 16.240 26.935 28.080 0.00 0.00 O +HETATM 3891 HW SOL C1231 16.498 27.890 28.103 0.00 0.00 H +HETATM 3892 HW SOL C1231 17.101 26.445 28.090 0.00 0.00 H +HETATM 3893 OW SOL C1232 10.827 46.600 6.883 0.00 0.00 O +HETATM 3894 HW SOL C1232 10.600 45.657 6.688 0.00 0.00 H +HETATM 3895 HW SOL C1232 11.817 46.621 6.891 0.00 0.00 H +HETATM 3896 OW SOL C1233 15.645 19.577 45.995 0.00 0.00 O +HETATM 3897 HW SOL C1233 14.821 19.030 45.951 0.00 0.00 H +HETATM 3898 HW SOL C1233 15.552 20.228 45.255 0.00 0.00 H +HETATM 3899 OW SOL C1234 4.949 41.598 6.964 0.00 0.00 O +HETATM 3900 HW SOL C1234 4.283 41.671 6.235 0.00 0.00 H +HETATM 3901 HW SOL C1234 5.622 42.295 6.757 0.00 0.00 H +HETATM 3902 OW SOL C1235 29.417 56.288 11.535 0.00 0.00 O +HETATM 3903 HW SOL C1235 30.346 55.996 11.712 0.00 0.00 H +HETATM 3904 HW SOL C1235 28.854 55.558 11.895 0.00 0.00 H +HETATM 3905 OW SOL C1236 23.942 13.065 7.576 0.00 0.00 O +HETATM 3906 HW SOL C1236 24.873 13.299 7.817 0.00 0.00 H +HETATM 3907 HW SOL C1236 23.979 12.101 7.350 0.00 0.00 H +HETATM 3908 OW SOL C1237 5.388 6.883 10.571 0.00 0.00 O +HETATM 3909 HW SOL C1237 4.596 7.368 10.228 0.00 0.00 H +HETATM 3910 HW SOL C1237 5.274 5.957 10.240 0.00 0.00 H +HETATM 3911 OW SOL C1238 7.908 14.985 47.556 0.00 0.00 O +HETATM 3912 HW SOL C1238 7.043 15.436 47.387 0.00 0.00 H +HETATM 3913 HW SOL C1238 8.530 15.385 46.896 0.00 0.00 H +HETATM 3914 OW SOL C1239 12.528 17.515 14.050 0.00 0.00 O +HETATM 3915 HW SOL C1239 11.992 16.870 13.524 0.00 0.00 H +HETATM 3916 HW SOL C1239 11.857 18.119 14.460 0.00 0.00 H +HETATM 3917 OW SOL C1240 47.559 1.214 50.334 0.00 0.00 O +HETATM 3918 HW SOL C1240 48.371 0.686 50.540 0.00 0.00 H 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3970 HW SOL C1257 7.840 47.939 6.788 0.00 0.00 H +HETATM 3971 OW SOL C1258 37.968 20.693 40.006 0.00 0.00 O +HETATM 3972 HW SOL C1258 37.139 20.161 39.902 0.00 0.00 H +HETATM 3973 HW SOL C1258 37.874 21.128 40.891 0.00 0.00 H +HETATM 3974 OW SOL C1259 54.137 39.163 5.455 0.00 0.00 O +HETATM 3975 HW SOL C1259 53.230 39.321 5.819 0.00 0.00 H +HETATM 3976 HW SOL C1259 54.219 38.176 5.411 0.00 0.00 H +HETATM 3977 OW SOL C1260 33.174 29.710 8.981 0.00 0.00 O +HETATM 3978 HW SOL C1260 32.222 29.978 8.955 0.00 0.00 H +HETATM 3979 HW SOL C1260 33.152 28.723 9.064 0.00 0.00 H +HETATM 3980 OW SOL C1261 16.244 37.933 9.024 0.00 0.00 O +HETATM 3981 HW SOL C1261 15.875 38.579 8.370 0.00 0.00 H +HETATM 3982 HW SOL C1261 17.211 37.890 8.811 0.00 0.00 H +HETATM 3983 OW SOL C1262 38.226 39.952 48.325 0.00 0.00 O +HETATM 3984 HW SOL C1262 37.655 40.581 48.832 0.00 0.00 H +HETATM 3985 HW SOL C1262 37.590 39.312 47.916 0.00 0.00 H +HETATM 3986 OW SOL C1263 54.917 25.470 5.375 0.00 0.00 O +HETATM 3987 HW SOL C1263 54.866 24.482 5.358 0.00 0.00 H +HETATM 3988 HW SOL C1263 53.973 25.767 5.413 0.00 0.00 H +HETATM 3989 OW SOL C1264 32.333 4.646 48.620 0.00 0.00 O +HETATM 3990 HW SOL C1264 32.232 3.665 48.709 0.00 0.00 H +HETATM 3991 HW SOL C1264 33.309 4.802 48.684 0.00 0.00 H +HETATM 3992 OW SOL C1265 0.731 33.303 21.256 0.00 0.00 O +HETATM 3993 HW SOL C1265 0.014 32.722 20.896 0.00 0.00 H +HETATM 3994 HW SOL C1265 1.567 32.800 21.088 0.00 0.00 H +HETATM 3995 OW SOL C1266 42.364 21.069 28.700 0.00 0.00 O +HETATM 3996 HW SOL C1266 42.096 20.384 29.362 0.00 0.00 H +HETATM 3997 HW SOL C1266 41.570 21.176 28.118 0.00 0.00 H +HETATM 3998 OW SOL C1267 41.806 22.291 48.030 0.00 0.00 O +HETATM 3999 HW SOL C1267 40.922 22.352 47.588 0.00 0.00 H +HETATM 4000 HW SOL C1267 42.011 21.322 48.043 0.00 0.00 H +HETATM 4001 OW SOL C1268 42.294 16.121 32.335 0.00 0.00 O +HETATM 4002 HW SOL C1268 43.148 15.627 32.407 0.00 0.00 H +HETATM 4003 HW SOL C1268 41.602 15.415 32.272 0.00 0.00 H +HETATM 4004 OW SOL C1269 58.615 25.223 21.648 0.00 0.00 O +HETATM 4005 HW SOL C1269 58.759 25.530 20.718 0.00 0.00 H +HETATM 4006 HW SOL C1269 57.776 25.668 21.929 0.00 0.00 H +HETATM 4007 OW SOL C1270 6.450 54.126 47.031 0.00 0.00 O +HETATM 4008 HW SOL C1270 6.034 54.303 46.151 0.00 0.00 H +HETATM 4009 HW SOL C1270 6.077 54.824 47.627 0.00 0.00 H +HETATM 4010 OW SOL C1271 31.276 32.740 9.886 0.00 0.00 O +HETATM 4011 HW SOL C1271 32.135 32.295 10.099 0.00 0.00 H +HETATM 4012 HW SOL C1271 30.895 32.980 10.768 0.00 0.00 H +HETATM 4013 OW SOL C1272 31.532 50.919 12.353 0.00 0.00 O +HETATM 4014 HW SOL C1272 31.079 51.799 12.322 0.00 0.00 H +HETATM 4015 HW SOL C1272 32.494 51.138 12.436 0.00 0.00 H +HETATM 4016 OW SOL C1273 11.639 5.290 30.623 0.00 0.00 O +HETATM 4017 HW SOL C1273 11.089 6.102 30.754 0.00 0.00 H +HETATM 4018 HW SOL C1273 11.978 5.070 31.528 0.00 0.00 H +HETATM 4019 OW SOL C1274 28.681 30.675 12.983 0.00 0.00 O +HETATM 4020 HW SOL C1274 29.570 30.250 13.077 0.00 0.00 H +HETATM 4021 HW SOL C1274 28.874 31.581 12.633 0.00 0.00 H +HETATM 4022 OW SOL C1275 56.030 52.001 30.813 0.00 0.00 O +HETATM 4023 HW SOL C1275 55.381 52.208 30.095 0.00 0.00 H +HETATM 4024 HW SOL C1275 56.632 51.321 30.415 0.00 0.00 H +HETATM 4025 OW SOL C1276 26.887 17.117 38.953 0.00 0.00 O +HETATM 4026 HW SOL C1276 26.926 16.394 38.278 0.00 0.00 H +HETATM 4027 HW SOL C1276 27.369 17.874 38.534 0.00 0.00 H +HETATM 4028 OW SOL C1277 53.104 38.514 56.646 0.00 0.00 O +HETATM 4029 HW SOL C1277 52.136 38.655 56.491 0.00 0.00 H +HETATM 4030 HW SOL C1277 53.204 37.531 56.714 0.00 0.00 H +HETATM 4031 OW SOL C1278 52.778 36.000 26.241 0.00 0.00 O +HETATM 4032 HW SOL C1278 53.399 36.413 25.590 0.00 0.00 H +HETATM 4033 HW SOL C1278 52.011 35.694 25.694 0.00 0.00 H +HETATM 4034 OW SOL C1279 14.672 3.257 9.384 0.00 0.00 O +HETATM 4035 HW SOL C1279 13.882 2.696 9.180 0.00 0.00 H +HETATM 4036 HW SOL C1279 14.302 4.047 9.853 0.00 0.00 H +HETATM 4037 OW SOL C1280 21.377 26.724 58.390 0.00 0.00 O +HETATM 4038 HW SOL C1280 22.344 26.873 58.540 0.00 0.00 H +HETATM 4039 HW SOL C1280 21.163 27.265 57.589 0.00 0.00 H +HETATM 4040 OW SOL C1281 39.152 21.142 55.068 0.00 0.00 O +HETATM 4041 HW SOL C1281 38.252 20.864 54.763 0.00 0.00 H +HETATM 4042 HW SOL C1281 39.124 22.132 55.055 0.00 0.00 H +HETATM 4043 OW SOL C1282 43.811 5.862 32.528 0.00 0.00 O +HETATM 4044 HW SOL C1282 44.754 5.794 32.234 0.00 0.00 H +HETATM 4045 HW SOL C1282 43.560 6.802 32.343 0.00 0.00 H +HETATM 4046 OW SOL C1283 27.608 40.254 57.109 0.00 0.00 O +HETATM 4047 HW SOL C1283 26.839 40.090 57.710 0.00 0.00 H +HETATM 4048 HW SOL C1283 28.351 39.733 57.507 0.00 0.00 H +HETATM 4049 OW SOL C1284 36.858 27.644 25.034 0.00 0.00 O +HETATM 4050 HW SOL C1284 36.877 27.830 24.062 0.00 0.00 H +HETATM 4051 HW SOL C1284 37.806 27.699 25.316 0.00 0.00 H +HETATM 4052 OW SOL C1285 37.622 52.785 46.661 0.00 0.00 O +HETATM 4053 HW SOL C1285 36.785 52.860 46.137 0.00 0.00 H +HETATM 4054 HW SOL C1285 37.385 52.200 47.424 0.00 0.00 H +HETATM 4055 OW SOL C1286 24.224 6.362 15.642 0.00 0.00 O +HETATM 4056 HW SOL C1286 24.601 5.654 15.062 0.00 0.00 H +HETATM 4057 HW SOL C1286 23.278 6.438 15.357 0.00 0.00 H +HETATM 4058 OW SOL C1287 45.170 33.599 4.912 0.00 0.00 O +HETATM 4059 HW SOL C1287 44.820 33.509 3.990 0.00 0.00 H +HETATM 4060 HW SOL C1287 45.018 34.550 5.143 0.00 0.00 H +HETATM 4061 OW SOL C1288 10.159 50.656 52.856 0.00 0.00 O +HETATM 4062 HW SOL C1288 10.446 51.591 52.703 0.00 0.00 H +HETATM 4063 HW SOL C1288 10.604 50.139 52.138 0.00 0.00 H +HETATM 4064 OW SOL C1289 40.508 24.645 1.910 0.00 0.00 O +HETATM 4065 HW SOL C1289 39.936 25.437 1.753 0.00 0.00 H +HETATM 4066 HW SOL C1289 39.933 24.022 2.423 0.00 0.00 H +HETATM 4067 OW SOL C1290 43.281 54.752 29.228 0.00 0.00 O +HETATM 4068 HW SOL C1290 42.907 55.131 28.393 0.00 0.00 H +HETATM 4069 HW SOL C1290 43.852 55.474 29.595 0.00 0.00 H +HETATM 4070 OW SOL C1291 32.258 15.947 13.895 0.00 0.00 O +HETATM 4071 HW SOL C1291 32.395 16.490 14.711 0.00 0.00 H +HETATM 4072 HW SOL C1291 33.004 16.204 13.296 0.00 0.00 H +HETATM 4073 OW SOL C1292 34.503 15.977 49.381 0.00 0.00 O +HETATM 4074 HW SOL C1292 35.439 16.300 49.370 0.00 0.00 H +HETATM 4075 HW SOL C1292 33.963 16.788 49.562 0.00 0.00 H +HETATM 4076 OW SOL C1293 18.541 35.580 15.853 0.00 0.00 O +HETATM 4077 HW SOL C1293 18.999 36.433 15.646 0.00 0.00 H +HETATM 4078 HW SOL C1293 17.888 35.813 16.560 0.00 0.00 H +HETATM 4079 OW SOL C1294 17.057 34.201 31.261 0.00 0.00 O +HETATM 4080 HW SOL C1294 16.378 34.919 31.319 0.00 0.00 H +HETATM 4081 HW SOL C1294 16.530 33.365 31.201 0.00 0.00 H +HETATM 4082 OW SOL C1295 12.538 47.659 29.840 0.00 0.00 O +HETATM 4083 HW SOL C1295 13.527 47.645 29.881 0.00 0.00 H +HETATM 4084 HW SOL C1295 12.305 48.619 29.777 0.00 0.00 H +HETATM 4085 OW SOL C1296 2.252 7.318 52.782 0.00 0.00 O +HETATM 4086 HW SOL C1296 2.618 6.560 53.303 0.00 0.00 H +HETATM 4087 HW SOL C1296 3.051 7.811 52.467 0.00 0.00 H +HETATM 4088 OW SOL C1297 14.453 38.367 0.964 0.00 0.00 O +HETATM 4089 HW SOL C1297 14.948 39.216 1.088 0.00 0.00 H +HETATM 4090 HW SOL C1297 13.521 38.646 0.784 0.00 0.00 H +HETATM 4091 OW SOL C1298 9.088 19.466 49.651 0.00 0.00 O +HETATM 4092 HW SOL C1298 8.458 20.095 49.218 0.00 0.00 H +HETATM 4093 HW SOL C1298 9.647 20.036 50.236 0.00 0.00 H +HETATM 4094 OW SOL C1299 38.035 53.738 23.180 0.00 0.00 O +HETATM 4095 HW SOL C1299 38.647 54.253 23.763 0.00 0.00 H +HETATM 4096 HW SOL C1299 38.046 54.224 22.317 0.00 0.00 H +HETATM 4097 OW SOL C1300 40.765 21.781 31.605 0.00 0.00 O +HETATM 4098 HW SOL C1300 41.468 21.085 31.610 0.00 0.00 H +HETATM 4099 HW SOL C1300 39.914 21.275 31.579 0.00 0.00 H +HETATM 4100 OW SOL C1301 29.026 31.999 51.156 0.00 0.00 O +HETATM 4101 HW SOL C1301 29.902 32.445 51.045 0.00 0.00 H +HETATM 4102 HW SOL C1301 29.202 31.048 50.942 0.00 0.00 H +HETATM 4103 OW SOL C1302 40.081 44.207 59.282 0.00 0.00 O +HETATM 4104 HW SOL C1302 39.361 43.529 59.248 0.00 0.00 H +HETATM 4105 HW SOL C1302 39.605 45.076 59.252 0.00 0.00 H +HETATM 4106 OW SOL C1303 9.277 4.616 0.745 0.00 0.00 O +HETATM 4107 HW SOL C1303 8.337 4.325 0.856 0.00 0.00 H +HETATM 4108 HW SOL C1303 9.256 5.593 0.904 0.00 0.00 H +HETATM 4109 OW SOL C1304 39.065 19.578 46.250 0.00 0.00 O +HETATM 4110 HW SOL C1304 39.716 19.157 46.865 0.00 0.00 H +HETATM 4111 HW SOL C1304 39.564 19.698 45.403 0.00 0.00 H +HETATM 4112 OW SOL C1305 58.820 38.861 27.993 0.00 0.00 O +HETATM 4113 HW SOL C1305 59.005 39.741 27.579 0.00 0.00 H +HETATM 4114 HW SOL C1305 57.835 38.768 27.951 0.00 0.00 H +HETATM 4115 OW SOL C1306 3.270 54.210 12.979 0.00 0.00 O +HETATM 4116 HW SOL C1306 3.891 53.860 13.665 0.00 0.00 H +HETATM 4117 HW SOL C1306 2.384 54.211 13.423 0.00 0.00 H +HETATM 4118 OW SOL C1307 50.924 40.011 52.274 0.00 0.00 O +HETATM 4119 HW SOL C1307 50.740 40.976 52.149 0.00 0.00 H +HETATM 4120 HW SOL C1307 51.887 39.968 52.501 0.00 0.00 H +HETATM 4121 OW SOL C1308 37.881 29.472 36.052 0.00 0.00 O +HETATM 4122 HW SOL C1308 37.966 28.518 36.302 0.00 0.00 H +HETATM 4123 HW SOL C1308 36.972 29.727 36.350 0.00 0.00 H +HETATM 4124 OW SOL C1309 48.757 40.041 1.839 0.00 0.00 O +HETATM 4125 HW SOL C1309 49.033 39.182 1.432 0.00 0.00 H +HETATM 4126 HW SOL C1309 47.792 39.926 2.031 0.00 0.00 H +HETATM 4127 OW SOL C1310 19.220 26.931 42.107 0.00 0.00 O +HETATM 4128 HW SOL C1310 18.720 26.231 41.617 0.00 0.00 H +HETATM 4129 HW SOL C1310 19.210 27.714 41.500 0.00 0.00 H +HETATM 4130 OW SOL C1311 33.164 56.815 10.803 0.00 0.00 O +HETATM 4131 HW SOL C1311 32.972 56.323 11.640 0.00 0.00 H +HETATM 4132 HW SOL C1311 32.799 56.238 10.085 0.00 0.00 H +HETATM 4133 OW SOL C1312 20.301 41.444 12.438 0.00 0.00 O +HETATM 4134 HW SOL C1312 20.657 40.723 13.016 0.00 0.00 H +HETATM 4135 HW SOL C1312 19.338 41.233 12.341 0.00 0.00 H +HETATM 4136 OW SOL C1313 18.683 37.935 48.284 0.00 0.00 O +HETATM 4137 HW SOL C1313 18.919 38.126 47.342 0.00 0.00 H +HETATM 4138 HW SOL C1313 19.480 38.215 48.802 0.00 0.00 H +HETATM 4139 OW SOL C1314 37.729 5.280 25.520 0.00 0.00 O +HETATM 4140 HW SOL C1314 38.533 5.851 25.604 0.00 0.00 H +HETATM 4141 HW SOL C1314 36.978 5.866 25.791 0.00 0.00 H +HETATM 4142 OW SOL C1315 4.838 4.477 7.463 0.00 0.00 O +HETATM 4143 HW SOL C1315 5.144 3.591 7.782 0.00 0.00 H +HETATM 4144 HW SOL C1315 4.000 4.288 6.970 0.00 0.00 H +HETATM 4145 OW SOL C1316 46.883 53.324 30.224 0.00 0.00 O +HETATM 4146 HW SOL C1316 46.622 52.418 29.921 0.00 0.00 H +HETATM 4147 HW SOL C1316 47.851 53.251 30.420 0.00 0.00 H +HETATM 4148 OW SOL C1317 39.494 12.491 20.632 0.00 0.00 O +HETATM 4149 HW SOL C1317 40.323 12.369 20.104 0.00 0.00 H +HETATM 4150 HW SOL C1317 39.748 13.126 21.349 0.00 0.00 H +HETATM 4151 OW SOL C1318 7.215 37.649 38.245 0.00 0.00 O +HETATM 4152 HW SOL C1318 6.610 36.866 38.219 0.00 0.00 H +HETATM 4153 HW SOL C1318 7.793 37.542 37.448 0.00 0.00 H +HETATM 4154 OW SOL C1319 54.892 56.410 40.366 0.00 0.00 O +HETATM 4155 HW SOL C1319 54.561 57.036 41.058 0.00 0.00 H +HETATM 4156 HW SOL C1319 55.317 55.677 40.879 0.00 0.00 H +HETATM 4157 OW SOL C1320 17.805 23.009 42.535 0.00 0.00 O +HETATM 4158 HW SOL C1320 18.635 23.238 43.024 0.00 0.00 H +HETATM 4159 HW SOL C1320 17.742 22.023 42.601 0.00 0.00 H +HETATM 4160 OW SOL C1321 18.002 13.631 22.410 0.00 0.00 O +HETATM 4161 HW SOL C1321 17.965 14.610 22.263 0.00 0.00 H +HETATM 4162 HW SOL C1321 18.965 13.434 22.530 0.00 0.00 H +HETATM 4163 OW SOL C1322 8.014 14.271 58.066 0.00 0.00 O +HETATM 4164 HW SOL C1322 8.749 13.700 57.728 0.00 0.00 H +HETATM 4165 HW SOL C1322 8.413 15.175 58.135 0.00 0.00 H +HETATM 4166 OW SOL C1323 41.411 42.006 10.518 0.00 0.00 O +HETATM 4167 HW SOL C1323 41.139 41.054 10.511 0.00 0.00 H +HETATM 4168 HW SOL C1323 40.559 42.507 10.579 0.00 0.00 H +HETATM 4169 OW SOL C1324 28.709 20.907 6.871 0.00 0.00 O +HETATM 4170 HW SOL C1324 28.002 21.563 7.092 0.00 0.00 H +HETATM 4171 HW SOL C1324 29.378 21.426 6.357 0.00 0.00 H +HETATM 4172 OW SOL C1325 18.917 49.876 44.111 0.00 0.00 O +HETATM 4173 HW SOL C1325 18.098 50.026 44.647 0.00 0.00 H +HETATM 4174 HW SOL C1325 19.009 50.696 43.564 0.00 0.00 H +HETATM 4175 OW SOL C1326 46.396 38.853 35.441 0.00 0.00 O +HETATM 4176 HW SOL C1326 46.161 39.730 35.836 0.00 0.00 H +HETATM 4177 HW SOL C1326 45.678 38.243 35.745 0.00 0.00 H +HETATM 4178 OW SOL C1327 24.033 4.346 57.729 0.00 0.00 O +HETATM 4179 HW SOL C1327 24.125 3.510 58.251 0.00 0.00 H +HETATM 4180 HW SOL C1327 24.211 5.068 58.383 0.00 0.00 H +HETATM 4181 OW SOL C1328 11.613 41.511 37.670 0.00 0.00 O +HETATM 4182 HW SOL C1328 11.080 42.344 37.705 0.00 0.00 H +HETATM 4183 HW SOL C1328 10.943 40.784 37.742 0.00 0.00 H +HETATM 4184 OW SOL C1329 28.502 14.605 55.144 0.00 0.00 O +HETATM 4185 HW SOL C1329 29.070 14.804 54.358 0.00 0.00 H +HETATM 4186 HW SOL C1329 27.995 13.795 54.885 0.00 0.00 H +HETATM 4187 OW SOL C1330 9.195 41.659 47.071 0.00 0.00 O +HETATM 4188 HW SOL C1330 9.498 40.885 46.532 0.00 0.00 H +HETATM 4189 HW SOL C1330 8.213 41.677 46.949 0.00 0.00 H +HETATM 4190 OW SOL C1331 26.544 27.032 8.175 0.00 0.00 O +HETATM 4191 HW SOL C1331 27.522 27.180 8.179 0.00 0.00 H +HETATM 4192 HW SOL C1331 26.155 27.943 8.175 0.00 0.00 H +HETATM 4193 OW SOL C1332 16.255 28.782 39.663 0.00 0.00 O +HETATM 4194 HW SOL C1332 16.279 27.862 39.298 0.00 0.00 H +HETATM 4195 HW SOL C1332 15.393 28.835 40.148 0.00 0.00 H +HETATM 4196 OW SOL C1333 49.948 55.787 39.514 0.00 0.00 O +HETATM 4197 HW SOL C1333 50.118 54.834 39.308 0.00 0.00 H +HETATM 4198 HW SOL C1333 48.966 55.887 39.441 0.00 0.00 H +HETATM 4199 OW SOL C1334 25.757 7.068 30.473 0.00 0.00 O +HETATM 4200 HW SOL C1334 24.901 6.793 30.058 0.00 0.00 H +HETATM 4201 HW SOL C1334 25.510 7.800 31.092 0.00 0.00 H +HETATM 4202 OW SOL C1335 54.804 57.074 15.171 0.00 0.00 O +HETATM 4203 HW SOL C1335 54.562 58.019 15.341 0.00 0.00 H +HETATM 4204 HW SOL C1335 54.713 56.632 16.053 0.00 0.00 H +HETATM 4205 OW SOL C1336 34.136 35.685 45.037 0.00 0.00 O +HETATM 4206 HW SOL C1336 33.554 36.083 44.342 0.00 0.00 H +HETATM 4207 HW SOL C1336 34.919 35.340 44.538 0.00 0.00 H +HETATM 4208 OW SOL C1337 31.379 22.985 22.585 0.00 0.00 O +HETATM 4209 HW SOL C1337 30.417 22.997 22.817 0.00 0.00 H +HETATM 4210 HW SOL C1337 31.565 23.897 22.246 0.00 0.00 H +HETATM 4211 OW SOL C1338 21.626 40.404 9.015 0.00 0.00 O +HETATM 4212 HW SOL C1338 20.989 39.651 8.924 0.00 0.00 H +HETATM 4213 HW SOL C1338 21.052 41.198 9.162 0.00 0.00 H +HETATM 4214 OW SOL C1339 17.950 16.428 15.122 0.00 0.00 O +HETATM 4215 HW SOL C1339 18.029 15.673 15.758 0.00 0.00 H +HETATM 4216 HW SOL C1339 17.298 16.117 14.446 0.00 0.00 H +HETATM 4217 OW SOL C1340 20.310 12.000 37.316 0.00 0.00 O +HETATM 4218 HW SOL C1340 20.355 11.145 36.820 0.00 0.00 H +HETATM 4219 HW SOL C1340 20.523 12.691 36.639 0.00 0.00 H +HETATM 4220 OW SOL C1341 52.761 50.763 21.416 0.00 0.00 O +HETATM 4221 HW SOL C1341 53.472 51.230 20.910 0.00 0.00 H +HETATM 4222 HW SOL C1341 52.944 49.800 21.271 0.00 0.00 H +HETATM 4223 OW SOL C1342 47.428 12.939 56.217 0.00 0.00 O +HETATM 4224 HW SOL C1342 47.097 13.129 57.130 0.00 0.00 H +HETATM 4225 HW SOL C1342 47.463 13.826 55.776 0.00 0.00 H +HETATM 4226 OW SOL C1343 15.390 5.479 45.193 0.00 0.00 O +HETATM 4227 HW SOL C1343 15.782 4.727 44.681 0.00 0.00 H +HETATM 4228 HW SOL C1343 14.613 5.083 45.662 0.00 0.00 H +HETATM 4229 OW SOL C1344 23.804 14.928 49.775 0.00 0.00 O +HETATM 4230 HW SOL C1344 24.581 14.337 49.609 0.00 0.00 H +HETATM 4231 HW SOL C1344 24.196 15.751 50.162 0.00 0.00 H +HETATM 4232 OW SOL C1345 58.873 13.973 28.317 0.00 0.00 O +HETATM 4233 HW SOL C1345 57.984 14.391 28.442 0.00 0.00 H +HETATM 4234 HW SOL C1345 59.355 14.592 27.712 0.00 0.00 H +HETATM 4235 OW SOL C1346 37.971 9.965 44.361 0.00 0.00 O +HETATM 4236 HW SOL C1346 38.344 9.051 44.288 0.00 0.00 H +HETATM 4237 HW SOL C1346 37.061 9.834 44.729 0.00 0.00 H +HETATM 4238 OW SOL C1347 38.709 41.519 12.264 0.00 0.00 O +HETATM 4239 HW SOL C1347 38.269 40.915 12.913 0.00 0.00 H +HETATM 4240 HW SOL C1347 38.360 42.419 12.484 0.00 0.00 H +HETATM 4241 OW SOL C1348 53.103 8.902 58.945 0.00 0.00 O +HETATM 4242 HW SOL C1348 52.497 9.526 59.417 0.00 0.00 H +HETATM 4243 HW SOL C1348 53.992 9.063 59.352 0.00 0.00 H +HETATM 4244 OW SOL C1349 52.191 35.068 7.702 0.00 0.00 O +HETATM 4245 HW SOL C1349 51.359 34.656 7.358 0.00 0.00 H +HETATM 4246 HW SOL C1349 52.579 34.381 8.301 0.00 0.00 H +HETATM 4247 OW SOL C1350 5.802 15.133 58.405 0.00 0.00 O +HETATM 4248 HW SOL C1350 6.300 15.988 58.363 0.00 0.00 H +HETATM 4249 HW SOL C1350 4.848 15.401 58.421 0.00 0.00 H +HETATM 4250 OW SOL C1351 37.279 10.021 5.693 0.00 0.00 O +HETATM 4251 HW SOL C1351 37.580 10.785 6.246 0.00 0.00 H +HETATM 4252 HW SOL C1351 36.601 9.562 6.251 0.00 0.00 H +HETATM 4253 OW SOL C1352 58.774 41.641 58.862 0.00 0.00 O +HETATM 4254 HW SOL C1352 58.820 42.596 58.606 0.00 0.00 H +HETATM 4255 HW SOL C1352 58.210 41.628 59.676 0.00 0.00 H +HETATM 4256 OW SOL C1353 32.480 10.681 24.980 0.00 0.00 O +HETATM 4257 HW SOL C1353 31.880 11.435 24.750 0.00 0.00 H +HETATM 4258 HW SOL C1353 31.916 9.874 24.875 0.00 0.00 H +HETATM 4259 OW SOL C1354 38.845 6.327 7.487 0.00 0.00 O +HETATM 4260 HW SOL C1354 38.261 6.455 6.698 0.00 0.00 H +HETATM 4261 HW SOL C1354 39.761 6.281 7.114 0.00 0.00 H +HETATM 4262 OW SOL C1355 32.186 1.572 5.122 0.00 0.00 O +HETATM 4263 HW SOL C1355 32.741 2.384 5.238 0.00 0.00 H +HETATM 4264 HW SOL C1355 32.756 0.956 4.597 0.00 0.00 H +HETATM 4265 OW SOL C1356 47.538 34.285 46.870 0.00 0.00 O +HETATM 4266 HW SOL C1356 47.684 33.323 47.050 0.00 0.00 H +HETATM 4267 HW SOL C1356 46.562 34.413 46.984 0.00 0.00 H +HETATM 4268 OW SOL C1357 23.253 54.511 23.535 0.00 0.00 O +HETATM 4269 HW SOL C1357 22.792 54.222 24.362 0.00 0.00 H +HETATM 4270 HW SOL C1357 24.065 53.946 23.493 0.00 0.00 H +HETATM 4271 OW SOL C1358 11.293 53.994 26.048 0.00 0.00 O +HETATM 4272 HW SOL C1358 11.495 54.186 26.998 0.00 0.00 H +HETATM 4273 HW SOL C1358 10.538 53.353 26.079 0.00 0.00 H +HETATM 4274 OW SOL C1359 45.764 11.097 3.176 0.00 0.00 O +HETATM 4275 HW SOL C1359 45.768 12.087 3.174 0.00 0.00 H +HETATM 4276 HW SOL C1359 46.321 10.848 3.956 0.00 0.00 H 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HW SOL C1365 22.497 23.364 48.619 0.00 0.00 H +HETATM 4295 OW SOL C1366 13.534 27.173 47.635 0.00 0.00 O +HETATM 4296 HW SOL C1366 14.266 27.813 47.444 0.00 0.00 H +HETATM 4297 HW SOL C1366 12.732 27.741 47.752 0.00 0.00 H +HETATM 4298 OW SOL C1367 24.403 25.999 45.887 0.00 0.00 O +HETATM 4299 HW SOL C1367 25.100 25.353 45.610 0.00 0.00 H +HETATM 4300 HW SOL C1367 24.843 26.562 46.572 0.00 0.00 H +HETATM 4301 OW SOL C1368 10.269 48.373 34.964 0.00 0.00 O +HETATM 4302 HW SOL C1368 10.632 47.788 34.254 0.00 0.00 H +HETATM 4303 HW SOL C1368 11.065 48.816 35.353 0.00 0.00 H +HETATM 4304 OW SOL C1369 38.045 56.972 11.545 0.00 0.00 O +HETATM 4305 HW SOL C1369 37.756 56.883 12.487 0.00 0.00 H +HETATM 4306 HW SOL C1369 38.433 56.089 11.320 0.00 0.00 H +HETATM 4307 OW SOL C1370 43.576 24.398 31.951 0.00 0.00 O +HETATM 4308 HW SOL C1370 43.927 23.472 31.979 0.00 0.00 H +HETATM 4309 HW SOL C1370 44.196 24.916 32.523 0.00 0.00 H +HETATM 4310 OW SOL C1371 32.846 34.960 54.049 0.00 0.00 O +HETATM 4311 HW SOL C1371 33.027 34.188 54.641 0.00 0.00 H +HETATM 4312 HW SOL C1371 32.696 34.558 53.156 0.00 0.00 H +HETATM 4313 OW SOL C1372 1.550 6.580 57.777 0.00 0.00 O +HETATM 4314 HW SOL C1372 1.812 5.956 57.055 0.00 0.00 H +HETATM 4315 HW SOL C1372 2.311 6.560 58.411 0.00 0.00 H +HETATM 4316 OW SOL C1373 45.456 28.889 27.408 0.00 0.00 O +HETATM 4317 HW SOL C1373 44.484 29.070 27.355 0.00 0.00 H +HETATM 4318 HW SOL C1373 45.832 29.687 27.858 0.00 0.00 H +HETATM 4319 OW SOL C1374 37.058 29.908 7.924 0.00 0.00 O +HETATM 4320 HW SOL C1374 36.961 29.546 8.840 0.00 0.00 H +HETATM 4321 HW SOL C1374 36.676 30.821 7.976 0.00 0.00 H +HETATM 4322 OW SOL C1375 54.558 41.761 36.742 0.00 0.00 O +HETATM 4323 HW SOL C1375 55.134 42.518 37.015 0.00 0.00 H +HETATM 4324 HW SOL C1375 54.290 41.975 35.813 0.00 0.00 H +HETATM 4325 OW SOL C1376 26.097 45.261 18.517 0.00 0.00 O +HETATM 4326 HW SOL C1376 25.523 45.868 19.048 0.00 0.00 H +HETATM 4327 HW SOL C1376 27.019 45.576 18.689 0.00 0.00 H +HETATM 4328 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C1382 47.489 49.489 9.149 0.00 0.00 H +HETATM 4346 OW SOL C1383 10.972 38.113 4.060 0.00 0.00 O +HETATM 4347 HW SOL C1383 10.626 37.471 4.730 0.00 0.00 H +HETATM 4348 HW SOL C1383 11.820 38.445 4.449 0.00 0.00 H +HETATM 4349 OW SOL C1384 35.693 33.433 59.132 0.00 0.00 O +HETATM 4350 HW SOL C1384 35.828 34.404 58.991 0.00 0.00 H +HETATM 4351 HW SOL C1384 35.173 33.375 59.973 0.00 0.00 H +HETATM 4352 OW SOL C1385 14.861 2.703 1.165 0.00 0.00 O +HETATM 4353 HW SOL C1385 15.299 3.507 1.542 0.00 0.00 H +HETATM 4354 HW SOL C1385 14.244 3.057 0.475 0.00 0.00 H +HETATM 4355 OW SOL C1386 51.749 5.825 56.813 0.00 0.00 O +HETATM 4356 HW SOL C1386 51.185 6.012 56.021 0.00 0.00 H +HETATM 4357 HW SOL C1386 51.226 5.172 57.342 0.00 0.00 H +HETATM 4358 OW SOL C1387 10.250 54.493 9.411 0.00 0.00 O +HETATM 4359 HW SOL C1387 10.019 54.797 8.497 0.00 0.00 H +HETATM 4360 HW SOL C1387 11.078 54.988 9.635 0.00 0.00 H +HETATM 4361 OW SOL C1388 12.683 44.795 49.996 0.00 0.00 O +HETATM 4362 HW SOL C1388 11.935 44.146 49.997 0.00 0.00 H +HETATM 4363 HW SOL C1388 12.265 45.656 49.743 0.00 0.00 H +HETATM 4364 OW SOL C1389 34.760 7.875 52.995 0.00 0.00 O +HETATM 4365 HW SOL C1389 35.360 7.285 52.473 0.00 0.00 H +HETATM 4366 HW SOL C1389 35.223 8.750 53.009 0.00 0.00 H +HETATM 4367 OW SOL C1390 25.815 19.375 15.422 0.00 0.00 O +HETATM 4368 HW SOL C1390 26.610 18.788 15.365 0.00 0.00 H +HETATM 4369 HW SOL C1390 26.186 20.285 15.549 0.00 0.00 H +HETATM 4370 OW SOL C1391 0.281 46.940 12.050 0.00 0.00 O +HETATM 4371 HW SOL C1391 1.214 46.909 12.379 0.00 0.00 H +HETATM 4372 HW SOL C1391 0.112 47.900 11.873 0.00 0.00 H +HETATM 4373 OW SOL C1392 41.227 46.549 31.794 0.00 0.00 O +HETATM 4374 HW SOL C1392 41.889 47.125 31.336 0.00 0.00 H +HETATM 4375 HW SOL C1392 41.774 45.917 32.325 0.00 0.00 H +HETATM 4376 OW SOL C1393 58.778 3.629 49.156 0.00 0.00 O +HETATM 4377 HW SOL C1393 58.252 3.138 49.836 0.00 0.00 H +HETATM 4378 HW SOL C1393 58.319 4.503 49.070 0.00 0.00 H +HETATM 4379 OW SOL C1394 18.549 32.850 45.567 0.00 0.00 O +HETATM 4380 HW SOL C1394 18.524 32.158 44.859 0.00 0.00 H +HETATM 4381 HW SOL C1394 19.246 33.487 45.268 0.00 0.00 H +HETATM 4382 OW SOL C1395 48.947 20.261 59.769 0.00 0.00 O +HETATM 4383 HW SOL C1395 49.731 20.834 59.577 0.00 0.00 H +HETATM 4384 HW SOL C1395 49.334 19.375 59.987 0.00 0.00 H +HETATM 4385 OW SOL C1396 40.911 12.069 25.448 0.00 0.00 O +HETATM 4386 HW SOL C1396 40.425 12.901 25.219 0.00 0.00 H +HETATM 4387 HW SOL C1396 41.342 11.792 24.601 0.00 0.00 H +HETATM 4388 OW SOL C1397 43.004 29.439 3.015 0.00 0.00 O +HETATM 4389 HW SOL C1397 43.512 28.593 3.097 0.00 0.00 H +HETATM 4390 HW SOL C1397 42.054 29.159 3.018 0.00 0.00 H +HETATM 4391 OW SOL C1398 8.260 40.476 13.309 0.00 0.00 O +HETATM 4392 HW SOL C1398 8.867 39.726 13.532 0.00 0.00 H +HETATM 4393 HW SOL C1398 7.473 40.340 13.894 0.00 0.00 H +HETATM 4394 OW SOL C1399 16.643 23.588 50.038 0.00 0.00 O +HETATM 4395 HW SOL C1399 16.545 23.270 49.106 0.00 0.00 H +HETATM 4396 HW SOL C1399 16.264 24.503 50.029 0.00 0.00 H +HETATM 4397 OW SOL C1400 28.922 12.831 3.516 0.00 0.00 O +HETATM 4398 HW SOL C1400 29.679 13.357 3.877 0.00 0.00 H +HETATM 4399 HW SOL C1400 28.898 12.014 4.074 0.00 0.00 H +HETATM 4400 OW SOL C1401 57.928 26.495 52.097 0.00 0.00 O +HETATM 4401 HW SOL C1401 58.436 25.931 51.462 0.00 0.00 H +HETATM 4402 HW SOL C1401 57.886 25.957 52.928 0.00 0.00 H +HETATM 4403 OW SOL C1402 50.068 51.864 2.516 0.00 0.00 O +HETATM 4404 HW SOL C1402 49.465 52.649 2.527 0.00 0.00 H +HETATM 4405 HW SOL C1402 50.955 52.229 2.763 0.00 0.00 H +HETATM 4406 OW SOL C1403 28.413 53.217 44.883 0.00 0.00 O +HETATM 4407 HW SOL C1403 27.894 52.427 44.589 0.00 0.00 H +HETATM 4408 HW SOL C1403 29.125 52.844 45.462 0.00 0.00 H +HETATM 4409 OW SOL C1404 55.904 22.002 10.007 0.00 0.00 O +HETATM 4410 HW SOL C1404 56.452 21.697 10.773 0.00 0.00 H +HETATM 4411 HW SOL C1404 55.746 22.964 10.183 0.00 0.00 H +HETATM 4412 OW SOL C1405 46.015 29.854 13.887 0.00 0.00 O +HETATM 4413 HW SOL C1405 45.620 29.252 14.566 0.00 0.00 H +HETATM 4414 HW SOL C1405 45.882 30.764 14.254 0.00 0.00 H +HETATM 4415 OW SOL C1406 40.276 32.227 29.661 0.00 0.00 O +HETATM 4416 HW SOL C1406 40.816 31.487 30.036 0.00 0.00 H +HETATM 4417 HW SOL C1406 40.042 31.925 28.747 0.00 0.00 H +HETATM 4418 OW SOL C1407 18.538 32.158 16.912 0.00 0.00 O +HETATM 4419 HW SOL C1407 18.146 33.066 16.879 0.00 0.00 H +HETATM 4420 HW SOL C1407 17.758 31.554 16.998 0.00 0.00 H +HETATM 4421 OW SOL C1408 38.519 38.283 5.645 0.00 0.00 O +HETATM 4422 HW SOL C1408 38.397 38.988 4.961 0.00 0.00 H +HETATM 4423 HW SOL C1408 39.231 38.634 6.238 0.00 0.00 H +HETATM 4424 OW SOL C1409 41.068 38.333 30.200 0.00 0.00 O +HETATM 4425 HW SOL C1409 40.475 37.553 30.344 0.00 0.00 H +HETATM 4426 HW SOL C1409 41.258 38.324 29.228 0.00 0.00 H +HETATM 4427 OW SOL C1410 11.868 1.518 13.527 0.00 0.00 O +HETATM 4428 HW SOL C1410 11.302 2.324 13.625 0.00 0.00 H +HETATM 4429 HW SOL C1410 12.642 1.821 12.988 0.00 0.00 H +HETATM 4430 OW SOL C1411 13.615 39.073 55.722 0.00 0.00 O +HETATM 4431 HW SOL C1411 14.321 39.557 56.219 0.00 0.00 H +HETATM 4432 HW SOL C1411 13.009 38.725 56.425 0.00 0.00 H +HETATM 4433 OW SOL C1412 28.999 34.327 16.731 0.00 0.00 O +HETATM 4434 HW SOL C1412 29.313 33.390 16.793 0.00 0.00 H +HETATM 4435 HW SOL C1412 29.815 34.872 16.866 0.00 0.00 H +HETATM 4436 OW SOL C1413 27.043 29.460 58.120 0.00 0.00 O +HETATM 4437 HW SOL C1413 26.495 29.108 58.865 0.00 0.00 H +HETATM 4438 HW SOL C1413 26.669 29.028 57.311 0.00 0.00 H +HETATM 4439 OW SOL C1414 35.153 33.965 53.972 0.00 0.00 O +HETATM 4440 HW SOL C1414 35.290 34.342 54.877 0.00 0.00 H +HETATM 4441 HW SOL C1414 36.062 33.922 53.581 0.00 0.00 H +HETATM 4442 OW SOL C1415 13.353 48.776 4.696 0.00 0.00 O +HETATM 4443 HW SOL C1415 12.898 48.119 5.279 0.00 0.00 H +HETATM 4444 HW SOL C1415 13.540 49.547 5.289 0.00 0.00 H +HETATM 4445 OW SOL C1416 40.499 8.378 39.282 0.00 0.00 O +HETATM 4446 HW SOL C1416 40.596 7.403 39.420 0.00 0.00 H +HETATM 4447 HW SOL C1416 39.904 8.675 40.017 0.00 0.00 H +HETATM 4448 OW SOL C1417 6.053 46.946 50.335 0.00 0.00 O +HETATM 4449 HW SOL C1417 5.744 46.243 50.960 0.00 0.00 H +HETATM 4450 HW SOL C1417 5.974 47.789 50.850 0.00 0.00 H +HETATM 4451 OW SOL C1418 41.012 6.491 21.944 0.00 0.00 O +HETATM 4452 HW SOL C1418 40.316 5.999 21.440 0.00 0.00 H +HETATM 4453 HW SOL C1418 41.618 5.785 22.283 0.00 0.00 H +HETATM 4454 OW SOL C1419 4.471 39.470 21.971 0.00 0.00 O +HETATM 4455 HW SOL C1419 3.551 39.514 21.610 0.00 0.00 H +HETATM 4456 HW SOL C1419 4.449 38.720 22.618 0.00 0.00 H +HETATM 4457 OW SOL C1420 22.816 58.993 7.061 0.00 0.00 O +HETATM 4458 HW SOL C1420 22.054 59.087 7.686 0.00 0.00 H +HETATM 4459 HW SOL C1420 23.616 59.177 7.614 0.00 0.00 H +HETATM 4460 OW SOL C1421 12.127 56.344 6.223 0.00 0.00 O +HETATM 4461 HW SOL C1421 11.177 56.535 6.423 0.00 0.00 H +HETATM 4462 HW SOL C1421 12.595 57.198 6.400 0.00 0.00 H +HETATM 4463 OW SOL C1422 39.259 34.074 38.975 0.00 0.00 O +HETATM 4464 HW SOL C1422 39.247 33.995 37.988 0.00 0.00 H +HETATM 4465 HW SOL C1422 38.762 33.279 39.294 0.00 0.00 H +HETATM 4466 OW SOL C1423 20.534 46.212 41.862 0.00 0.00 O +HETATM 4467 HW SOL C1423 19.661 45.750 41.931 0.00 0.00 H +HETATM 4468 HW SOL C1423 21.168 45.505 41.582 0.00 0.00 H +HETATM 4469 OW SOL C1424 38.868 29.992 29.653 0.00 0.00 O +HETATM 4470 HW SOL C1424 38.273 29.412 30.191 0.00 0.00 H +HETATM 4471 HW SOL C1424 39.608 29.396 29.372 0.00 0.00 H +HETATM 4472 OW SOL C1425 46.256 39.167 26.869 0.00 0.00 O +HETATM 4473 HW SOL C1425 46.528 38.292 27.244 0.00 0.00 H +HETATM 4474 HW SOL C1425 45.525 39.475 27.462 0.00 0.00 H +HETATM 4475 OW SOL C1426 21.273 50.010 37.408 0.00 0.00 O +HETATM 4476 HW SOL C1426 20.749 49.390 37.974 0.00 0.00 H +HETATM 4477 HW SOL C1426 20.701 50.815 37.326 0.00 0.00 H +HETATM 4478 OW SOL C1427 3.302 42.486 23.043 0.00 0.00 O +HETATM 4479 HW SOL C1427 3.968 41.769 23.192 0.00 0.00 H +HETATM 4480 HW SOL C1427 2.655 42.094 22.403 0.00 0.00 H +HETATM 4481 OW SOL C1428 36.948 14.052 23.663 0.00 0.00 O +HETATM 4482 HW SOL C1428 36.125 14.545 23.421 0.00 0.00 H +HETATM 4483 HW SOL C1428 37.645 14.423 23.065 0.00 0.00 H +HETATM 4484 OW SOL C1429 3.655 15.610 49.729 0.00 0.00 O +HETATM 4485 HW SOL C1429 4.577 15.445 49.410 0.00 0.00 H +HETATM 4486 HW SOL C1429 3.452 14.837 50.315 0.00 0.00 H +HETATM 4487 OW SOL C1430 57.710 58.864 47.032 0.00 0.00 O +HETATM 4488 HW SOL C1430 56.835 59.058 47.453 0.00 0.00 H +HETATM 4489 HW SOL C1430 57.650 57.913 46.761 0.00 0.00 H +HETATM 4490 OW SOL C1431 54.040 52.673 5.096 0.00 0.00 O +HETATM 4491 HW SOL C1431 54.473 53.441 4.645 0.00 0.00 H +HETATM 4492 HW SOL C1431 53.394 53.085 5.723 0.00 0.00 H +HETATM 4493 OW SOL C1432 3.300 35.054 55.504 0.00 0.00 O +HETATM 4494 HW SOL C1432 3.040 34.140 55.781 0.00 0.00 H +HETATM 4495 HW SOL C1432 2.455 35.472 55.201 0.00 0.00 H +HETATM 4496 OW SOL C1433 9.386 14.556 32.641 0.00 0.00 O +HETATM 4497 HW SOL C1433 9.598 15.509 32.474 0.00 0.00 H +HETATM 4498 HW SOL C1433 9.963 14.303 33.405 0.00 0.00 H 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4533 HW SOL C1445 17.426 18.300 46.229 0.00 0.00 H +HETATM 4534 HW SOL C1445 16.754 17.849 44.888 0.00 0.00 H +HETATM 4535 OW SOL C1446 3.572 2.736 37.212 0.00 0.00 O +HETATM 4536 HW SOL C1446 3.211 3.657 37.240 0.00 0.00 H +HETATM 4537 HW SOL C1446 2.992 2.223 37.830 0.00 0.00 H +HETATM 4538 OW SOL C1447 31.327 9.909 10.582 0.00 0.00 O +HETATM 4539 HW SOL C1447 31.087 10.811 10.912 0.00 0.00 H +HETATM 4540 HW SOL C1447 31.075 9.299 11.320 0.00 0.00 H +HETATM 4541 OW SOL C1448 24.655 27.749 40.371 0.00 0.00 O +HETATM 4542 HW SOL C1448 24.113 27.658 41.194 0.00 0.00 H +HETATM 4543 HW SOL C1448 25.574 27.925 40.697 0.00 0.00 H +HETATM 4544 OW SOL C1449 37.004 38.691 2.065 0.00 0.00 O +HETATM 4545 HW SOL C1449 36.033 38.857 1.971 0.00 0.00 H +HETATM 4546 HW SOL C1449 37.224 38.075 1.320 0.00 0.00 H +HETATM 4547 OW SOL C1450 24.721 42.727 44.653 0.00 0.00 O +HETATM 4548 HW SOL C1450 24.271 42.583 45.522 0.00 0.00 H +HETATM 4549 HW SOL C1450 24.844 41.816 44.283 0.00 0.00 H +HETATM 4550 OW SOL C1451 33.895 18.949 45.668 0.00 0.00 O +HETATM 4551 HW SOL C1451 34.871 18.937 45.502 0.00 0.00 H +HETATM 4552 HW SOL C1451 33.808 19.217 46.617 0.00 0.00 H +HETATM 4553 OW SOL C1452 57.384 26.240 43.701 0.00 0.00 O +HETATM 4554 HW SOL C1452 56.499 26.680 43.652 0.00 0.00 H +HETATM 4555 HW SOL C1452 57.332 25.502 43.042 0.00 0.00 H +HETATM 4556 OW SOL C1453 50.928 36.013 33.918 0.00 0.00 O +HETATM 4557 HW SOL C1453 51.681 35.383 33.795 0.00 0.00 H +HETATM 4558 HW SOL C1453 50.726 36.340 33.005 0.00 0.00 H +HETATM 4559 OW SOL C1454 52.694 54.292 2.353 0.00 0.00 O +HETATM 4560 HW SOL C1454 53.571 54.735 2.471 0.00 0.00 H +HETATM 4561 HW SOL C1454 52.036 55.032 2.380 0.00 0.00 H +HETATM 4562 OW SOL C1455 25.386 58.936 5.622 0.00 0.00 O +HETATM 4563 HW SOL C1455 25.632 58.399 4.828 0.00 0.00 H +HETATM 4564 HW SOL C1455 26.040 58.666 6.316 0.00 0.00 H +HETATM 4565 OW SOL C1456 18.774 9.853 8.663 0.00 0.00 O +HETATM 4566 HW SOL C1456 19.017 9.049 8.140 0.00 0.00 H +HETATM 4567 HW SOL C1456 17.831 9.703 8.926 0.00 0.00 H +HETATM 4568 OW SOL C1457 8.814 42.433 26.360 0.00 0.00 O +HETATM 4569 HW SOL C1457 8.386 41.914 25.634 0.00 0.00 H +HETATM 4570 HW SOL C1457 9.529 42.948 25.908 0.00 0.00 H +HETATM 4571 OW SOL C1458 40.228 6.078 56.178 0.00 0.00 O +HETATM 4572 HW SOL C1458 41.094 6.250 56.627 0.00 0.00 H +HETATM 4573 HW SOL C1458 39.571 6.035 56.918 0.00 0.00 H +HETATM 4574 OW SOL C1459 51.116 4.937 17.874 0.00 0.00 O +HETATM 4575 HW SOL C1459 51.348 5.896 17.795 0.00 0.00 H +HETATM 4576 HW SOL C1459 50.815 4.679 16.966 0.00 0.00 H +HETATM 4577 OW SOL C1460 18.313 30.351 43.364 0.00 0.00 O +HETATM 4578 HW SOL C1460 17.957 29.427 43.364 0.00 0.00 H +HETATM 4579 HW SOL C1460 19.297 30.238 43.364 0.00 0.00 H +HETATM 4580 OW SOL C1461 34.697 54.887 48.777 0.00 0.00 O +HETATM 4581 HW SOL C1461 34.369 55.411 48.004 0.00 0.00 H +HETATM 4582 HW SOL C1461 35.527 54.457 48.451 0.00 0.00 H +HETATM 4583 OW SOL C1462 2.967 16.688 29.713 0.00 0.00 O +HETATM 4584 HW SOL C1462 2.608 16.702 30.636 0.00 0.00 H +HETATM 4585 HW SOL C1462 2.879 15.744 29.427 0.00 0.00 H +HETATM 4586 OW SOL C1463 45.841 9.774 18.839 0.00 0.00 O +HETATM 4587 HW SOL C1463 46.689 9.265 18.880 0.00 0.00 H +HETATM 4588 HW SOL C1463 46.032 10.614 19.329 0.00 0.00 H +HETATM 4589 OW SOL C1464 16.316 47.796 3.802 0.00 0.00 O +HETATM 4590 HW SOL C1464 15.907 48.409 4.464 0.00 0.00 H +HETATM 4591 HW SOL C1464 15.559 47.503 3.234 0.00 0.00 H +HETATM 4592 OW SOL C1465 58.734 39.907 22.140 0.00 0.00 O +HETATM 4593 HW SOL C1465 59.307 40.540 22.643 0.00 0.00 H +HETATM 4594 HW SOL C1465 59.216 39.043 22.190 0.00 0.00 H +HETATM 4595 OW SOL C1466 20.230 57.898 57.951 0.00 0.00 O +HETATM 4596 HW SOL C1466 21.152 57.669 57.673 0.00 0.00 H +HETATM 4597 HW SOL C1466 19.999 58.696 57.412 0.00 0.00 H +HETATM 4598 OW SOL C1467 11.450 11.057 17.401 0.00 0.00 O +HETATM 4599 HW SOL C1467 11.677 10.117 17.192 0.00 0.00 H +HETATM 4600 HW SOL C1467 10.639 10.998 17.966 0.00 0.00 H +HETATM 4601 OW SOL C1468 5.862 50.955 57.723 0.00 0.00 O +HETATM 4602 HW SOL C1468 6.622 51.049 58.351 0.00 0.00 H +HETATM 4603 HW SOL C1468 5.145 51.513 58.116 0.00 0.00 H +HETATM 4604 OW SOL C1469 20.055 13.581 45.188 0.00 0.00 O +HETATM 4605 HW SOL C1469 20.590 12.749 45.180 0.00 0.00 H +HETATM 4606 HW SOL C1469 20.726 14.309 45.167 0.00 0.00 H +HETATM 4607 OW SOL C1470 47.323 0.044 10.227 0.00 0.00 O +HETATM 4608 HW SOL C1470 46.967 0.312 11.111 0.00 0.00 H +HETATM 4609 HW SOL C1470 46.605 0.281 9.588 0.00 0.00 H +HETATM 4610 OW SOL C1471 58.930 50.412 32.482 0.00 0.00 O +HETATM 4611 HW SOL C1471 59.908 50.522 32.381 0.00 0.00 H +HETATM 4612 HW SOL C1471 58.809 50.117 33.420 0.00 0.00 H +HETATM 4613 OW SOL C1472 33.362 52.960 10.629 0.00 0.00 O +HETATM 4614 HW SOL C1472 32.826 52.459 9.965 0.00 0.00 H +HETATM 4615 HW SOL C1472 34.131 52.367 10.826 0.00 0.00 H +HETATM 4616 OW SOL C1473 11.191 19.719 41.517 0.00 0.00 O +HETATM 4617 HW SOL C1473 10.747 19.533 40.652 0.00 0.00 H +HETATM 4618 HW SOL C1473 10.452 19.964 42.129 0.00 0.00 H +HETATM 4619 OW SOL C1474 54.341 52.810 32.560 0.00 0.00 O +HETATM 4620 HW SOL C1474 54.769 53.703 32.560 0.00 0.00 H +HETATM 4621 HW SOL C1474 53.369 53.001 32.559 0.00 0.00 H +HETATM 4622 OW SOL C1475 10.217 30.369 52.557 0.00 0.00 O +HETATM 4623 HW SOL C1475 10.670 31.249 52.529 0.00 0.00 H +HETATM 4624 HW SOL C1475 10.955 29.709 52.565 0.00 0.00 H +HETATM 4625 OW SOL C1476 53.285 50.535 56.185 0.00 0.00 O +HETATM 4626 HW SOL C1476 52.295 50.533 56.161 0.00 0.00 H +HETATM 4627 HW SOL C1476 53.510 50.401 57.141 0.00 0.00 H +HETATM 4628 OW SOL C1477 38.295 46.745 56.218 0.00 0.00 O +HETATM 4629 HW SOL C1477 38.279 47.633 55.782 0.00 0.00 H +HETATM 4630 HW SOL C1477 38.421 46.105 55.472 0.00 0.00 H +HETATM 4631 OW SOL C1478 28.167 13.123 12.352 0.00 0.00 O +HETATM 4632 HW SOL C1478 28.847 12.657 12.900 0.00 0.00 H +HETATM 4633 HW SOL C1478 28.189 14.060 12.673 0.00 0.00 H +HETATM 4634 OW SOL C1479 32.006 54.702 52.617 0.00 0.00 O +HETATM 4635 HW SOL C1479 32.189 53.904 53.174 0.00 0.00 H +HETATM 4636 HW SOL C1479 32.745 54.719 51.958 0.00 0.00 H +HETATM 4637 OW SOL C1480 22.733 34.957 20.580 0.00 0.00 O +HETATM 4638 HW SOL C1480 23.067 35.889 20.555 0.00 0.00 H +HETATM 4639 HW SOL C1480 23.538 34.410 20.761 0.00 0.00 H +HETATM 4640 OW SOL C1481 49.181 47.031 53.737 0.00 0.00 O +HETATM 4641 HW SOL C1481 49.513 46.100 53.688 0.00 0.00 H +HETATM 4642 HW SOL C1481 48.733 47.182 52.867 0.00 0.00 H +HETATM 4643 OW SOL C1482 42.547 23.055 29.947 0.00 0.00 O +HETATM 4644 HW SOL C1482 41.943 23.393 30.655 0.00 0.00 H +HETATM 4645 HW SOL C1482 42.606 23.798 29.294 0.00 0.00 H +HETATM 4646 OW SOL C1483 45.836 54.903 28.137 0.00 0.00 O +HETATM 4647 HW SOL C1483 46.020 55.211 27.215 0.00 0.00 H +HETATM 4648 HW SOL C1483 46.237 53.998 28.182 0.00 0.00 H +HETATM 4649 OW SOL C1484 21.824 53.297 26.569 0.00 0.00 O +HETATM 4650 HW SOL C1484 21.328 54.125 26.345 0.00 0.00 H +HETATM 4651 HW SOL C1484 22.750 53.602 26.741 0.00 0.00 H +HETATM 4652 OW SOL C1485 45.831 56.868 37.869 0.00 0.00 O +HETATM 4653 HW SOL C1485 45.416 55.974 37.963 0.00 0.00 H +HETATM 4654 HW SOL C1485 45.086 57.460 37.593 0.00 0.00 H +HETATM 4655 OW SOL C1486 44.290 35.482 21.702 0.00 0.00 O +HETATM 4656 HW SOL C1486 43.407 35.262 21.311 0.00 0.00 H +HETATM 4657 HW SOL C1486 44.855 35.716 20.923 0.00 0.00 H +HETATM 4658 OW SOL C1487 51.255 16.884 57.479 0.00 0.00 O +HETATM 4659 HW SOL C1487 50.740 16.093 57.181 0.00 0.00 H +HETATM 4660 HW SOL C1487 51.263 17.487 56.692 0.00 0.00 H +HETATM 4661 OW SOL C1488 44.086 53.734 47.719 0.00 0.00 O +HETATM 4662 HW SOL C1488 43.985 52.866 48.185 0.00 0.00 H +HETATM 4663 HW SOL C1488 45.052 53.793 47.510 0.00 0.00 H +HETATM 4664 OW SOL C1489 51.511 18.652 38.995 0.00 0.00 O +HETATM 4665 HW SOL C1489 51.188 17.716 38.968 0.00 0.00 H +HETATM 4666 HW SOL C1489 52.284 18.666 38.376 0.00 0.00 H +HETATM 4667 OW SOL C1490 50.549 49.894 49.076 0.00 0.00 O +HETATM 4668 HW SOL C1490 51.332 50.468 48.883 0.00 0.00 H +HETATM 4669 HW SOL C1490 50.522 49.836 50.065 0.00 0.00 H +HETATM 4670 OW SOL C1491 55.354 43.628 46.744 0.00 0.00 O +HETATM 4671 HW SOL C1491 55.937 43.482 45.957 0.00 0.00 H +HETATM 4672 HW SOL C1491 54.434 43.505 46.398 0.00 0.00 H +HETATM 4673 OW SOL C1492 18.152 15.223 40.098 0.00 0.00 O +HETATM 4674 HW SOL C1492 18.155 16.151 40.444 0.00 0.00 H +HETATM 4675 HW SOL C1492 17.342 14.814 40.494 0.00 0.00 H +HETATM 4676 OW SOL C1493 26.081 0.913 42.931 0.00 0.00 O +HETATM 4677 HW SOL C1493 25.123 0.723 42.767 0.00 0.00 H +HETATM 4678 HW SOL C1493 26.079 1.635 43.609 0.00 0.00 H +HETATM 4679 OW SOL C1494 15.983 32.336 35.046 0.00 0.00 O +HETATM 4680 HW SOL C1494 16.242 32.919 35.803 0.00 0.00 H +HETATM 4681 HW SOL C1494 16.227 31.422 35.342 0.00 0.00 H +HETATM 4682 OW SOL C1495 38.868 49.837 46.877 0.00 0.00 O +HETATM 4683 HW SOL C1495 39.216 50.763 46.845 0.00 0.00 H +HETATM 4684 HW SOL C1495 37.883 49.941 46.842 0.00 0.00 H +HETATM 4685 OW SOL C1496 52.262 31.769 30.000 0.00 0.00 O +HETATM 4686 HW SOL C1496 53.075 31.779 29.436 0.00 0.00 H +HETATM 4687 HW SOL C1496 52.503 32.311 30.793 0.00 0.00 H +HETATM 4688 OW SOL C1497 12.484 9.385 7.126 0.00 0.00 O +HETATM 4689 HW SOL C1497 12.160 8.754 7.816 0.00 0.00 H +HETATM 4690 HW SOL C1497 12.098 10.259 7.387 0.00 0.00 H +HETATM 4691 OW SOL C1498 38.519 3.155 2.391 0.00 0.00 O +HETATM 4692 HW SOL C1498 37.637 3.428 2.749 0.00 0.00 H +HETATM 4693 HW SOL C1498 39.176 3.593 2.989 0.00 0.00 H +HETATM 4694 OW SOL C1499 15.568 8.872 22.539 0.00 0.00 O +HETATM 4695 HW SOL C1499 16.207 8.119 22.608 0.00 0.00 H +HETATM 4696 HW SOL C1499 14.966 8.620 21.794 0.00 0.00 H +HETATM 4697 OW SOL C1500 11.332 43.957 15.401 0.00 0.00 O +HETATM 4698 HW SOL C1500 11.401 44.248 14.457 0.00 0.00 H +HETATM 4699 HW SOL C1500 10.757 43.151 15.370 0.00 0.00 H +HETATM 4700 OW SOL C1501 33.977 1.327 51.105 0.00 0.00 O +HETATM 4701 HW SOL C1501 34.365 2.078 50.589 0.00 0.00 H +HETATM 4702 HW SOL C1501 34.754 0.758 51.337 0.00 0.00 H +HETATM 4703 OW SOL C1502 27.758 26.913 44.527 0.00 0.00 O +HETATM 4704 HW SOL C1502 27.247 26.544 43.764 0.00 0.00 H +HETATM 4705 HW SOL C1502 27.252 26.625 45.328 0.00 0.00 H +HETATM 4706 OW SOL C1503 29.842 43.486 15.441 0.00 0.00 O +HETATM 4707 HW SOL C1503 29.946 42.507 15.545 0.00 0.00 H +HETATM 4708 HW SOL C1503 29.269 43.592 14.640 0.00 0.00 H +HETATM 4709 OW SOL C1504 7.284 29.416 21.517 0.00 0.00 O +HETATM 4710 HW SOL C1504 7.662 28.510 21.644 0.00 0.00 H +HETATM 4711 HW SOL C1504 8.065 29.983 21.294 0.00 0.00 H +HETATM 4712 OW SOL C1505 45.516 38.561 50.184 0.00 0.00 O +HETATM 4713 HW SOL C1505 44.982 39.105 49.552 0.00 0.00 H +HETATM 4714 HW SOL C1505 45.768 39.192 50.904 0.00 0.00 H +HETATM 4715 OW SOL C1506 53.384 48.596 42.064 0.00 0.00 O +HETATM 4716 HW SOL C1506 52.982 49.358 42.552 0.00 0.00 H +HETATM 4717 HW SOL C1506 52.738 48.395 41.340 0.00 0.00 H +HETATM 4718 OW SOL C1507 36.102 16.157 34.767 0.00 0.00 O +HETATM 4719 HW SOL C1507 36.680 15.358 34.683 0.00 0.00 H +HETATM 4720 HW SOL C1507 35.182 15.813 34.645 0.00 0.00 H +HETATM 4721 OW SOL C1508 31.770 24.895 5.824 0.00 0.00 O +HETATM 4722 HW SOL C1508 31.799 24.638 6.780 0.00 0.00 H +HETATM 4723 HW SOL C1508 31.463 25.836 5.829 0.00 0.00 H +HETATM 4724 OW SOL C1509 26.155 49.082 44.907 0.00 0.00 O +HETATM 4725 HW SOL C1509 26.905 48.510 44.607 0.00 0.00 H +HETATM 4726 HW SOL C1509 26.081 48.904 45.879 0.00 0.00 H +HETATM 4727 OW SOL C1510 50.780 48.675 52.578 0.00 0.00 O +HETATM 4728 HW SOL C1510 50.788 47.725 52.298 0.00 0.00 H +HETATM 4729 HW SOL C1510 51.730 48.951 52.547 0.00 0.00 H +HETATM 4730 OW SOL C1511 45.557 12.844 35.209 0.00 0.00 O +HETATM 4731 HW SOL C1511 45.958 13.332 35.972 0.00 0.00 H +HETATM 4732 HW SOL C1511 45.620 11.889 35.465 0.00 0.00 H +HETATM 4733 OW SOL C1512 48.984 14.263 8.120 0.00 0.00 O +HETATM 4734 HW SOL C1512 49.208 14.723 7.273 0.00 0.00 H +HETATM 4735 HW SOL C1512 48.443 13.481 7.842 0.00 0.00 H +HETATM 4736 OW SOL C1513 34.650 51.967 45.113 0.00 0.00 O +HETATM 4737 HW SOL C1513 34.758 52.886 44.761 0.00 0.00 H +HETATM 4738 HW SOL C1513 35.465 51.490 44.817 0.00 0.00 H +HETATM 4739 OW SOL C1514 44.514 57.997 51.622 0.00 0.00 O +HETATM 4740 HW SOL C1514 44.182 57.928 52.552 0.00 0.00 H +HETATM 4741 HW SOL C1514 44.344 58.939 51.366 0.00 0.00 H +HETATM 4742 OW SOL C1515 33.370 47.113 25.926 0.00 0.00 O +HETATM 4743 HW SOL C1515 33.814 46.229 25.966 0.00 0.00 H +HETATM 4744 HW SOL C1515 34.115 47.761 25.844 0.00 0.00 H +HETATM 4745 OW SOL C1516 37.026 18.738 10.117 0.00 0.00 O +HETATM 4746 HW SOL C1516 37.144 17.800 10.412 0.00 0.00 H +HETATM 4747 HW SOL C1516 37.777 18.899 9.493 0.00 0.00 H +HETATM 4748 OW SOL C1517 31.944 21.696 45.014 0.00 0.00 O +HETATM 4749 HW SOL C1517 32.722 22.307 44.971 0.00 0.00 H +HETATM 4750 HW SOL C1517 32.302 20.868 45.422 0.00 0.00 H +HETATM 4751 OW SOL C1518 16.681 31.717 10.484 0.00 0.00 O +HETATM 4752 HW SOL C1518 16.951 31.273 9.642 0.00 0.00 H +HETATM 4753 HW SOL C1518 16.089 31.061 10.932 0.00 0.00 H +HETATM 4754 OW SOL C1519 24.890 32.358 46.542 0.00 0.00 O +HETATM 4755 HW SOL C1519 25.442 33.180 46.563 0.00 0.00 H +HETATM 4756 HW SOL C1519 25.546 31.619 46.473 0.00 0.00 H +HETATM 4757 OW SOL C1520 6.955 19.079 17.738 0.00 0.00 O +HETATM 4758 HW SOL C1520 6.126 18.688 17.363 0.00 0.00 H +HETATM 4759 HW SOL C1520 6.745 19.236 18.693 0.00 0.00 H +HETATM 4760 OW SOL C1521 11.144 55.595 43.050 0.00 0.00 O +HETATM 4761 HW SOL C1521 11.532 54.684 43.075 0.00 0.00 H +HETATM 4762 HW SOL C1521 11.745 56.137 43.620 0.00 0.00 H +HETATM 4763 OW SOL C1522 35.697 58.404 48.952 0.00 0.00 O +HETATM 4764 HW SOL C1522 35.756 58.089 49.889 0.00 0.00 H +HETATM 4765 HW SOL C1522 35.705 59.392 49.022 0.00 0.00 H +HETATM 4766 OW SOL C1523 20.445 35.588 38.866 0.00 0.00 O +HETATM 4767 HW SOL C1523 19.524 35.826 38.593 0.00 0.00 H +HETATM 4768 HW SOL C1523 20.924 36.454 38.904 0.00 0.00 H +HETATM 4769 OW SOL C1524 14.631 27.385 50.140 0.00 0.00 O +HETATM 4770 HW SOL C1524 14.840 27.007 51.031 0.00 0.00 H +HETATM 4771 HW SOL C1524 15.450 27.877 49.881 0.00 0.00 H +HETATM 4772 OW SOL C1525 11.259 17.873 53.510 0.00 0.00 O +HETATM 4773 HW SOL C1525 10.364 17.632 53.163 0.00 0.00 H +HETATM 4774 HW SOL C1525 11.870 17.726 52.745 0.00 0.00 H +HETATM 4775 OW SOL C1526 48.283 42.559 26.012 0.00 0.00 O +HETATM 4776 HW SOL C1526 47.755 43.002 25.301 0.00 0.00 H +HETATM 4777 HW SOL C1526 49.130 43.071 26.048 0.00 0.00 H +HETATM 4778 OW SOL C1527 35.493 47.912 16.991 0.00 0.00 O +HETATM 4779 HW SOL C1527 35.391 48.827 17.355 0.00 0.00 H +HETATM 4780 HW SOL C1527 34.598 47.500 17.100 0.00 0.00 H +HETATM 4781 OW SOL C1528 39.494 10.198 26.669 0.00 0.00 O +HETATM 4782 HW SOL C1528 38.902 9.411 26.776 0.00 0.00 H +HETATM 4783 HW SOL C1528 38.967 10.956 27.028 0.00 0.00 H +HETATM 4784 OW SOL C1529 14.058 17.910 58.990 0.00 0.00 O +HETATM 4785 HW SOL C1529 13.167 17.586 59.276 0.00 0.00 H +HETATM 4786 HW SOL C1529 14.035 17.858 58.001 0.00 0.00 H +HETATM 4787 OW SOL C1530 10.825 50.600 55.531 0.00 0.00 O +HETATM 4788 HW SOL C1530 10.947 49.681 55.876 0.00 0.00 H +HETATM 4789 HW SOL C1530 9.847 50.754 55.572 0.00 0.00 H +HETATM 4790 OW SOL C1531 45.605 2.577 23.622 0.00 0.00 O +HETATM 4791 HW SOL C1531 46.459 2.352 24.071 0.00 0.00 H +HETATM 4792 HW SOL C1531 45.310 1.727 23.209 0.00 0.00 H +HETATM 4793 OW SOL C1532 54.872 10.945 43.714 0.00 0.00 O +HETATM 4794 HW SOL C1532 55.030 11.920 43.655 0.00 0.00 H +HETATM 4795 HW SOL C1532 55.779 10.546 43.706 0.00 0.00 H +HETATM 4796 OW SOL C1533 50.290 38.696 19.421 0.00 0.00 O +HETATM 4797 HW SOL C1533 49.850 39.218 20.137 0.00 0.00 H +HETATM 4798 HW SOL C1533 51.162 39.147 19.285 0.00 0.00 H +HETATM 4799 OW SOL C1534 19.750 15.494 37.798 0.00 0.00 O +HETATM 4800 HW SOL C1534 20.727 15.635 37.880 0.00 0.00 H +HETATM 4801 HW SOL C1534 19.642 14.509 37.784 0.00 0.00 H +HETATM 4802 OW SOL C1535 37.953 41.919 4.203 0.00 0.00 O +HETATM 4803 HW SOL C1535 37.407 41.102 4.325 0.00 0.00 H +HETATM 4804 HW SOL C1535 38.429 41.773 3.347 0.00 0.00 H +HETATM 4805 OW SOL C1536 21.094 38.819 41.348 0.00 0.00 O +HETATM 4806 HW SOL C1536 21.403 37.905 41.568 0.00 0.00 H +HETATM 4807 HW SOL C1536 21.916 39.371 41.369 0.00 0.00 H +HETATM 4808 OW SOL C1537 51.831 38.528 24.669 0.00 0.00 O +HETATM 4809 HW SOL C1537 51.822 37.768 24.034 0.00 0.00 H +HETATM 4810 HW SOL C1537 51.284 38.220 25.434 0.00 0.00 H +HETATM 4811 OW SOL C1538 1.359 50.647 42.869 0.00 0.00 O +HETATM 4812 HW SOL C1538 0.976 51.418 42.380 0.00 0.00 H +HETATM 4813 HW SOL C1538 0.735 50.497 43.623 0.00 0.00 H +HETATM 4814 OW SOL C1539 6.900 31.211 19.847 0.00 0.00 O +HETATM 4815 HW SOL C1539 6.546 31.901 19.231 0.00 0.00 H +HETATM 4816 HW SOL C1539 6.149 31.021 20.465 0.00 0.00 H +HETATM 4817 OW SOL C1540 39.649 23.568 18.943 0.00 0.00 O +HETATM 4818 HW SOL C1540 40.067 22.671 18.947 0.00 0.00 H +HETATM 4819 HW SOL C1540 40.407 24.196 19.057 0.00 0.00 H +HETATM 4820 OW SOL C1541 9.289 37.472 9.670 0.00 0.00 O +HETATM 4821 HW SOL C1541 9.135 38.406 9.379 0.00 0.00 H +HETATM 4822 HW SOL C1541 10.138 37.212 9.231 0.00 0.00 H +HETATM 4823 OW SOL C1542 16.370 11.890 10.632 0.00 0.00 O +HETATM 4824 HW SOL C1542 16.972 12.677 10.646 0.00 0.00 H +HETATM 4825 HW SOL C1542 16.967 11.125 10.430 0.00 0.00 H +HETATM 4826 OW SOL C1543 8.217 58.177 4.616 0.00 0.00 O +HETATM 4827 HW SOL C1543 9.116 57.762 4.612 0.00 0.00 H +HETATM 4828 HW SOL C1543 8.394 59.152 4.624 0.00 0.00 H +HETATM 4829 OW SOL C1544 22.387 8.392 8.596 0.00 0.00 O +HETATM 4830 HW SOL C1544 22.820 9.283 8.612 0.00 0.00 H +HETATM 4831 HW SOL C1544 21.478 8.551 8.955 0.00 0.00 H +HETATM 4832 OW SOL C1545 46.355 19.061 9.724 0.00 0.00 O +HETATM 4833 HW SOL C1545 46.057 18.118 9.688 0.00 0.00 H +HETATM 4834 HW SOL C1545 45.516 19.586 9.745 0.00 0.00 H +HETATM 4835 OW SOL C1546 31.657 31.391 18.917 0.00 0.00 O +HETATM 4836 HW SOL C1546 32.528 31.503 19.373 0.00 0.00 H +HETATM 4837 HW SOL C1546 31.736 31.935 18.093 0.00 0.00 H +HETATM 4838 OW SOL C1547 59.528 11.749 14.621 0.00 0.00 O +HETATM 4839 HW SOL C1547 59.011 12.300 13.981 0.00 0.00 H +HETATM 4840 HW SOL C1547 59.740 10.920 14.122 0.00 0.00 H +HETATM 4841 OW SOL C1548 32.301 54.260 12.458 0.00 0.00 O +HETATM 4842 HW SOL C1548 31.390 54.009 12.755 0.00 0.00 H +HETATM 4843 HW SOL C1548 32.868 53.492 12.721 0.00 0.00 H +HETATM 4844 OW SOL C1549 54.211 0.185 31.553 0.00 0.00 O +HETATM 4845 HW SOL C1549 54.089 1.104 31.206 0.00 0.00 H +HETATM 4846 HW SOL C1549 55.193 0.059 31.583 0.00 0.00 H +HETATM 4847 OW SOL C1550 20.215 29.522 38.185 0.00 0.00 O +HETATM 4848 HW SOL C1550 19.560 29.957 38.787 0.00 0.00 H +HETATM 4849 HW SOL C1550 19.691 28.832 37.704 0.00 0.00 H +HETATM 4850 OW SOL C1551 48.683 58.738 3.530 0.00 0.00 O +HETATM 4851 HW SOL C1551 49.620 58.943 3.284 0.00 0.00 H +HETATM 4852 HW SOL C1551 48.157 58.969 2.723 0.00 0.00 H +HETATM 4853 OW SOL C1552 12.036 9.911 24.283 0.00 0.00 O +HETATM 4854 HW SOL C1552 12.196 10.782 24.727 0.00 0.00 H +HETATM 4855 HW SOL C1552 11.090 9.951 23.992 0.00 0.00 H +HETATM 4856 OW SOL C1553 48.747 55.459 9.018 0.00 0.00 O +HETATM 4857 HW SOL C1553 49.521 54.842 9.026 0.00 0.00 H +HETATM 4858 HW SOL C1553 48.031 54.955 8.554 0.00 0.00 H +HETATM 4859 OW SOL C1554 59.201 13.188 46.561 0.00 0.00 O +HETATM 4860 HW SOL C1554 59.172 14.175 46.637 0.00 0.00 H +HETATM 4861 HW SOL C1554 59.569 13.019 45.658 0.00 0.00 H +HETATM 4862 OW SOL C1555 53.269 51.332 26.415 0.00 0.00 O +HETATM 4863 HW SOL C1555 52.364 51.667 26.191 0.00 0.00 H +HETATM 4864 HW SOL C1555 53.161 50.350 26.479 0.00 0.00 H +HETATM 4865 OW SOL C1556 10.357 8.441 11.033 0.00 0.00 O +HETATM 4866 HW SOL C1556 9.771 8.380 10.237 0.00 0.00 H +HETATM 4867 HW SOL C1556 10.776 9.336 10.965 0.00 0.00 H +HETATM 4868 OW SOL C1557 7.976 8.346 47.011 0.00 0.00 O +HETATM 4869 HW SOL C1557 8.103 7.508 46.500 0.00 0.00 H +HETATM 4870 HW SOL C1557 8.729 8.361 47.654 0.00 0.00 H +HETATM 4871 OW SOL C1558 53.811 27.583 13.110 0.00 0.00 O +HETATM 4872 HW SOL C1558 54.032 27.531 14.073 0.00 0.00 H +HETATM 4873 HW SOL C1558 54.591 28.034 12.699 0.00 0.00 H +HETATM 4874 OW SOL C1559 23.185 18.950 6.450 0.00 0.00 O +HETATM 4875 HW SOL C1559 23.441 18.015 6.249 0.00 0.00 H +HETATM 4876 HW SOL C1559 24.031 19.385 6.726 0.00 0.00 H +HETATM 4877 OW SOL C1560 52.216 44.877 9.686 0.00 0.00 O +HETATM 4878 HW SOL C1560 52.388 43.942 9.408 0.00 0.00 H +HETATM 4879 HW SOL C1560 53.109 45.306 9.678 0.00 0.00 H +HETATM 4880 OW SOL C1561 56.052 30.307 15.075 0.00 0.00 O +HETATM 4881 HW SOL C1561 55.604 31.072 15.516 0.00 0.00 H +HETATM 4882 HW SOL C1561 56.847 30.704 14.638 0.00 0.00 H +HETATM 4883 OW SOL C1562 39.087 34.417 28.016 0.00 0.00 O +HETATM 4884 HW SOL C1562 40.009 34.140 28.247 0.00 0.00 H +HETATM 4885 HW SOL C1562 39.134 35.405 27.954 0.00 0.00 H +HETATM 4886 OW SOL C1563 41.361 3.816 43.865 0.00 0.00 O +HETATM 4887 HW SOL C1563 40.558 4.124 44.353 0.00 0.00 H +HETATM 4888 HW SOL C1563 41.742 4.640 43.467 0.00 0.00 H +HETATM 4889 OW SOL C1564 25.145 19.838 23.182 0.00 0.00 O +HETATM 4890 HW SOL C1564 25.620 18.990 23.368 0.00 0.00 H +HETATM 4891 HW SOL C1564 24.912 19.787 22.221 0.00 0.00 H +HETATM 4892 OW SOL C1565 40.001 9.714 59.154 0.00 0.00 O +HETATM 4893 HW SOL C1565 39.468 9.846 59.978 0.00 0.00 H +HETATM 4894 HW SOL C1565 40.459 10.580 59.013 0.00 0.00 H +HETATM 4895 OW SOL C1566 58.421 59.349 20.117 0.00 0.00 O +HETATM 4896 HW SOL C1566 58.762 58.419 20.109 0.00 0.00 H +HETATM 4897 HW SOL C1566 59.043 59.837 20.713 0.00 0.00 H +HETATM 4898 OW SOL C1567 27.153 57.376 19.783 0.00 0.00 O +HETATM 4899 HW SOL C1567 27.273 56.724 19.047 0.00 0.00 H +HETATM 4900 HW SOL C1567 26.172 57.487 19.859 0.00 0.00 H +HETATM 4901 OW SOL C1568 56.355 30.199 7.496 0.00 0.00 O +HETATM 4902 HW SOL C1568 56.155 30.765 8.283 0.00 0.00 H +HETATM 4903 HW SOL C1568 57.312 29.963 7.597 0.00 0.00 H +HETATM 4904 OW SOL C1569 34.930 35.912 10.472 0.00 0.00 O +HETATM 4905 HW SOL C1569 35.029 36.295 11.379 0.00 0.00 H +HETATM 4906 HW SOL C1569 34.104 35.368 10.521 0.00 0.00 H +HETATM 4907 OW SOL C1570 36.269 10.294 48.555 0.00 0.00 O +HETATM 4908 HW SOL C1570 35.701 11.054 48.270 0.00 0.00 H +HETATM 4909 HW SOL C1570 35.937 10.062 49.459 0.00 0.00 H +HETATM 4910 OW SOL C1571 11.612 4.791 59.136 0.00 0.00 O +HETATM 4911 HW SOL C1571 10.723 4.984 59.529 0.00 0.00 H +HETATM 4912 HW SOL C1571 12.214 4.698 59.917 0.00 0.00 H +HETATM 4913 OW SOL C1572 49.641 52.756 22.738 0.00 0.00 O +HETATM 4914 HW SOL C1572 48.891 52.114 22.803 0.00 0.00 H +HETATM 4915 HW SOL C1572 49.370 53.384 22.021 0.00 0.00 H +HETATM 4916 OW SOL C1573 9.747 46.847 25.668 0.00 0.00 O +HETATM 4917 HW SOL C1573 9.816 47.436 24.875 0.00 0.00 H +HETATM 4918 HW SOL C1573 9.061 47.278 26.238 0.00 0.00 H +HETATM 4919 OW SOL C1574 47.820 30.516 51.399 0.00 0.00 O +HETATM 4920 HW SOL C1574 48.757 30.218 51.278 0.00 0.00 H +HETATM 4921 HW SOL C1574 47.876 31.504 51.429 0.00 0.00 H +HETATM 4922 OW SOL C1575 20.152 50.308 52.717 0.00 0.00 O +HETATM 4923 HW SOL C1575 20.237 49.369 53.017 0.00 0.00 H +HETATM 4924 HW SOL C1575 21.076 50.665 52.752 0.00 0.00 H +HETATM 4925 OW SOL C1576 41.300 59.394 39.139 0.00 0.00 O +HETATM 4926 HW SOL C1576 42.066 59.901 38.770 0.00 0.00 H +HETATM 4927 HW SOL C1576 41.493 58.450 38.908 0.00 0.00 H +HETATM 4928 OW SOL C1577 46.093 22.652 28.376 0.00 0.00 O +HETATM 4929 HW SOL C1577 46.476 22.517 29.279 0.00 0.00 H +HETATM 4930 HW SOL C1577 46.860 22.534 27.761 0.00 0.00 H +HETATM 4931 OW SOL C1578 22.484 20.133 44.375 0.00 0.00 O +HETATM 4932 HW SOL C1578 22.832 21.047 44.527 0.00 0.00 H +HETATM 4933 HW SOL C1578 23.258 19.540 44.547 0.00 0.00 H +HETATM 4934 OW SOL C1579 2.011 50.853 13.715 0.00 0.00 O +HETATM 4935 HW SOL C1579 2.810 51.438 13.715 0.00 0.00 H +HETATM 4936 HW SOL C1579 2.378 49.933 13.716 0.00 0.00 H +HETATM 4937 OW SOL C1580 45.548 3.463 13.225 0.00 0.00 O +HETATM 4938 HW SOL C1580 44.787 2.831 13.256 0.00 0.00 H +HETATM 4939 HW SOL C1580 45.551 3.892 14.118 0.00 0.00 H +HETATM 4940 OW SOL C1581 36.385 41.113 44.748 0.00 0.00 O +HETATM 4941 HW SOL C1581 35.870 40.441 44.235 0.00 0.00 H 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4976 OW SOL C1593 9.382 4.039 48.084 0.00 0.00 O +HETATM 4977 HW SOL C1593 10.107 3.998 48.757 0.00 0.00 H +HETATM 4978 HW SOL C1593 8.734 3.348 48.374 0.00 0.00 H +HETATM 4979 OW SOL C1594 53.825 12.616 34.805 0.00 0.00 O +HETATM 4980 HW SOL C1594 52.836 12.605 34.745 0.00 0.00 H +HETATM 4981 HW SOL C1594 54.087 11.662 34.763 0.00 0.00 H +HETATM 4982 OW SOL C1595 22.822 47.470 16.537 0.00 0.00 O +HETATM 4983 HW SOL C1595 22.745 47.961 17.393 0.00 0.00 H +HETATM 4984 HW SOL C1595 22.959 46.526 16.804 0.00 0.00 H +HETATM 4985 OW SOL C1596 16.458 12.906 59.700 0.00 0.00 O +HETATM 4986 HW SOL C1596 17.290 13.424 59.558 0.00 0.00 H +HETATM 4987 HW SOL C1596 16.769 12.008 59.982 0.00 0.00 H +HETATM 4988 OW SOL C1597 55.370 1.149 54.753 0.00 0.00 O +HETATM 4989 HW SOL C1597 55.059 0.520 55.452 0.00 0.00 H +HETATM 4990 HW SOL C1597 55.956 0.603 54.170 0.00 0.00 H +HETATM 4991 OW SOL C1598 39.386 56.777 2.840 0.00 0.00 O +HETATM 4992 HW SOL C1598 39.610 57.740 2.874 0.00 0.00 H +HETATM 4993 HW SOL C1598 38.396 56.752 2.815 0.00 0.00 H +HETATM 4994 OW SOL C1599 52.641 15.830 9.959 0.00 0.00 O +HETATM 4995 HW SOL C1599 52.975 15.362 9.153 0.00 0.00 H +HETATM 4996 HW SOL C1599 52.537 15.115 10.636 0.00 0.00 H +HETATM 4997 OW SOL C1600 12.061 29.848 14.604 0.00 0.00 O +HETATM 4998 HW SOL C1600 11.584 30.643 14.256 0.00 0.00 H +HETATM 4999 HW SOL C1600 12.918 29.836 14.108 0.00 0.00 H +HETATM 5000 OW SOL C1601 35.091 13.870 56.436 0.00 0.00 O +HETATM 5001 HW SOL C1601 35.876 13.321 56.689 0.00 0.00 H +HETATM 5002 HW SOL C1601 34.387 13.209 56.217 0.00 0.00 H +HETATM 5003 OW SOL C1602 49.785 0.627 31.795 0.00 0.00 O +HETATM 5004 HW SOL C1602 50.649 0.145 31.778 0.00 0.00 H +HETATM 5005 HW SOL C1602 49.782 1.100 32.666 0.00 0.00 H +HETATM 5006 OW SOL C1603 41.714 37.606 46.687 0.00 0.00 O +HETATM 5007 HW SOL C1603 42.594 37.152 46.682 0.00 0.00 H +HETATM 5008 HW SOL C1603 41.933 38.572 46.702 0.00 0.00 H +HETATM 5009 OW SOL C1604 28.219 44.949 34.549 0.00 0.00 O +HETATM 5010 HW SOL C1604 27.766 44.848 35.423 0.00 0.00 H +HETATM 5011 HW SOL C1604 27.672 45.616 34.062 0.00 0.00 H +HETATM 5012 OW SOL C1605 59.528 24.898 55.969 0.00 0.00 O +HETATM 5013 HW SOL C1605 58.938 24.192 56.334 0.00 0.00 H +HETATM 5014 HW SOL C1605 59.113 25.747 56.266 0.00 0.00 H +HETATM 5015 OW SOL C1606 2.344 31.300 38.461 0.00 0.00 O +HETATM 5016 HW SOL C1606 2.870 31.822 39.117 0.00 0.00 H +HETATM 5017 HW SOL C1606 2.852 30.457 38.349 0.00 0.00 H +HETATM 5018 OW SOL C1607 36.628 26.077 22.606 0.00 0.00 O +HETATM 5019 HW SOL C1607 37.370 25.423 22.566 0.00 0.00 H +HETATM 5020 HW SOL C1607 35.811 25.520 22.669 0.00 0.00 H +HETATM 5021 OW SOL C1608 54.475 18.115 16.589 0.00 0.00 O +HETATM 5022 HW SOL C1608 54.940 18.959 16.360 0.00 0.00 H +HETATM 5023 HW SOL C1608 54.197 17.740 15.716 0.00 0.00 H +HETATM 5024 OW SOL C1609 10.770 40.342 7.564 0.00 0.00 O +HETATM 5025 HW SOL C1609 11.185 39.574 8.032 0.00 0.00 H +HETATM 5026 HW SOL C1609 9.811 40.105 7.500 0.00 0.00 H +HETATM 5027 OW SOL C1610 25.175 53.116 47.576 0.00 0.00 O +HETATM 5028 HW SOL C1610 24.498 52.622 48.103 0.00 0.00 H +HETATM 5029 HW SOL C1610 25.629 52.420 47.038 0.00 0.00 H +HETATM 5030 OW SOL C1611 38.914 16.651 7.761 0.00 0.00 O +HETATM 5031 HW SOL C1611 38.517 17.554 7.675 0.00 0.00 H +HETATM 5032 HW SOL C1611 38.135 16.046 7.854 0.00 0.00 H +HETATM 5033 OW SOL C1612 48.020 59.900 19.859 0.00 0.00 O +HETATM 5034 HW SOL C1612 48.184 58.924 19.844 0.00 0.00 H +HETATM 5035 HW SOL C1612 47.034 59.987 19.883 0.00 0.00 H +HETATM 5036 OW SOL C1613 11.028 5.675 56.608 0.00 0.00 O +HETATM 5037 HW SOL C1613 11.917 6.064 56.805 0.00 0.00 H +HETATM 5038 HW SOL C1613 11.160 4.698 56.694 0.00 0.00 H +HETATM 5039 OW SOL C1614 42.990 49.744 47.699 0.00 0.00 O +HETATM 5040 HW SOL C1614 42.121 50.137 47.963 0.00 0.00 H +HETATM 5041 HW SOL C1614 42.784 49.206 46.893 0.00 0.00 H +HETATM 5042 OW SOL C1615 35.747 53.815 32.105 0.00 0.00 O +HETATM 5043 HW SOL C1615 35.768 54.340 31.266 0.00 0.00 H +HETATM 5044 HW SOL C1615 36.295 54.340 32.741 0.00 0.00 H +HETATM 5045 OW SOL C1616 8.211 13.740 26.309 0.00 0.00 O +HETATM 5046 HW SOL C1616 7.647 12.958 26.086 0.00 0.00 H +HETATM 5047 HW SOL C1616 8.842 13.815 25.549 0.00 0.00 H +HETATM 5048 OW SOL C1617 46.194 27.397 5.201 0.00 0.00 O +HETATM 5049 HW SOL C1617 45.660 28.069 5.694 0.00 0.00 H +HETATM 5050 HW SOL C1617 46.916 27.920 4.770 0.00 0.00 H +HETATM 5051 OW SOL C1618 31.841 20.493 13.131 0.00 0.00 O +HETATM 5052 HW SOL C1618 31.336 21.329 13.290 0.00 0.00 H +HETATM 5053 HW SOL C1618 31.143 19.807 12.979 0.00 0.00 H +HETATM 5054 OW SOL C1619 41.852 8.049 23.542 0.00 0.00 O +HETATM 5055 HW SOL C1619 41.251 8.835 23.544 0.00 0.00 H +HETATM 5056 HW SOL C1619 41.400 7.388 24.125 0.00 0.00 H +HETATM 5057 OW SOL C1620 49.757 46.541 46.823 0.00 0.00 O +HETATM 5058 HW SOL C1620 49.061 46.426 47.517 0.00 0.00 H +HETATM 5059 HW SOL C1620 50.579 46.764 47.329 0.00 0.00 H +HETATM 5060 OW SOL C1621 39.499 25.215 54.740 0.00 0.00 O +HETATM 5061 HW SOL C1621 38.630 24.782 54.549 0.00 0.00 H +HETATM 5062 HW SOL C1621 40.164 24.658 54.262 0.00 0.00 H +HETATM 5063 OW SOL C1622 24.416 8.649 36.057 0.00 0.00 O +HETATM 5064 HW SOL C1622 25.123 9.171 36.512 0.00 0.00 H +HETATM 5065 HW SOL C1622 23.823 8.344 36.789 0.00 0.00 H +HETATM 5066 OW SOL C1623 6.201 12.284 29.852 0.00 0.00 O +HETATM 5067 HW SOL C1623 6.641 12.234 30.738 0.00 0.00 H +HETATM 5068 HW SOL C1623 6.919 12.572 29.234 0.00 0.00 H +HETATM 5069 OW SOL C1624 1.996 32.844 58.397 0.00 0.00 O +HETATM 5070 HW SOL C1624 1.493 32.034 58.128 0.00 0.00 H +HETATM 5071 HW SOL C1624 1.446 33.598 58.065 0.00 0.00 H +HETATM 5072 OW SOL C1625 48.512 56.210 36.111 0.00 0.00 O +HETATM 5073 HW SOL C1625 48.689 57.146 35.841 0.00 0.00 H +HETATM 5074 HW SOL C1625 49.232 55.997 36.758 0.00 0.00 H +HETATM 5075 OW SOL C1626 46.122 23.568 9.873 0.00 0.00 O +HETATM 5076 HW SOL C1626 45.276 23.254 10.280 0.00 0.00 H +HETATM 5077 HW SOL C1626 46.754 22.816 10.001 0.00 0.00 H +HETATM 5078 OW SOL C1627 35.060 31.797 52.401 0.00 0.00 O +HETATM 5079 HW SOL C1627 35.225 32.617 51.872 0.00 0.00 H +HETATM 5080 HW SOL C1627 34.093 31.617 52.285 0.00 0.00 H +HETATM 5081 OW SOL C1628 55.870 2.278 37.614 0.00 0.00 O +HETATM 5082 HW SOL C1628 55.157 2.842 38.008 0.00 0.00 H +HETATM 5083 HW SOL C1628 55.512 1.356 37.662 0.00 0.00 H +HETATM 5084 OW SOL C1629 41.064 38.987 2.480 0.00 0.00 O +HETATM 5085 HW SOL C1629 40.576 39.725 2.037 0.00 0.00 H +HETATM 5086 HW SOL C1629 42.011 39.277 2.474 0.00 0.00 H +HETATM 5087 OW SOL C1630 55.096 24.855 25.243 0.00 0.00 O +HETATM 5088 HW SOL C1630 55.974 24.492 24.964 0.00 0.00 H +HETATM 5089 HW SOL C1630 54.753 25.322 24.440 0.00 0.00 H +HETATM 5090 OW SOL C1631 0.068 19.925 28.247 0.00 0.00 O +HETATM 5091 HW SOL C1631 0.630 20.289 28.976 0.00 0.00 H +HETATM 5092 HW SOL C1631 0.452 20.312 27.420 0.00 0.00 H +HETATM 5093 OW SOL C1632 6.186 54.812 11.742 0.00 0.00 O +HETATM 5094 HW SOL C1632 6.601 54.612 12.618 0.00 0.00 H +HETATM 5095 HW SOL C1632 6.468 55.740 11.539 0.00 0.00 H +HETATM 5096 OW SOL C1633 4.317 7.822 26.587 0.00 0.00 O +HETATM 5097 HW SOL C1633 4.595 7.587 27.507 0.00 0.00 H +HETATM 5098 HW SOL C1633 5.154 8.104 26.138 0.00 0.00 H +HETATM 5099 OW SOL C1634 51.188 32.391 37.486 0.00 0.00 O +HETATM 5100 HW SOL C1634 50.876 33.298 37.237 0.00 0.00 H +HETATM 5101 HW SOL C1634 51.419 31.963 36.623 0.00 0.00 H +HETATM 5102 OW SOL C1635 6.266 2.426 5.127 0.00 0.00 O +HETATM 5103 HW SOL C1635 6.158 3.097 5.847 0.00 0.00 H +HETATM 5104 HW SOL C1635 6.948 2.816 4.524 0.00 0.00 H +HETATM 5105 OW SOL C1636 10.369 1.204 4.611 0.00 0.00 O +HETATM 5106 HW SOL C1636 9.500 1.643 4.787 0.00 0.00 H +HETATM 5107 HW SOL C1636 10.182 0.235 4.703 0.00 0.00 H +HETATM 5108 OW SOL C1637 59.241 50.962 25.592 0.00 0.00 O +HETATM 5109 HW SOL C1637 58.799 50.719 24.740 0.00 0.00 H +HETATM 5110 HW SOL C1637 59.752 51.784 25.381 0.00 0.00 H +HETATM 5111 OW SOL C1638 23.719 50.531 46.359 0.00 0.00 O +HETATM 5112 HW SOL C1638 23.736 51.489 46.111 0.00 0.00 H +HETATM 5113 HW SOL C1638 24.455 50.430 47.014 0.00 0.00 H +HETATM 5114 OW SOL C1639 12.479 7.826 48.502 0.00 0.00 O +HETATM 5115 HW SOL C1639 12.962 8.201 47.723 0.00 0.00 H +HETATM 5116 HW SOL C1639 12.780 8.376 49.268 0.00 0.00 H +HETATM 5117 OW SOL C1640 48.634 2.610 8.367 0.00 0.00 O +HETATM 5118 HW SOL C1640 48.841 2.888 9.294 0.00 0.00 H +HETATM 5119 HW SOL C1640 47.769 2.132 8.437 0.00 0.00 H +HETATM 5120 OW SOL C1641 40.579 36.311 13.698 0.00 0.00 O +HETATM 5121 HW SOL C1641 40.630 35.389 14.053 0.00 0.00 H +HETATM 5122 HW SOL C1641 39.720 36.340 13.205 0.00 0.00 H +HETATM 5123 OW SOL C1642 6.529 18.810 1.788 0.00 0.00 O +HETATM 5124 HW SOL C1642 7.154 18.902 1.026 0.00 0.00 H +HETATM 5125 HW SOL C1642 6.365 19.740 2.088 0.00 0.00 H +HETATM 5126 OW SOL C1643 24.197 17.024 18.974 0.00 0.00 O +HETATM 5127 HW SOL C1643 23.753 16.903 19.851 0.00 0.00 H +HETATM 5128 HW SOL C1643 23.628 17.678 18.496 0.00 0.00 H +HETATM 5129 OW SOL C1644 47.500 8.097 9.093 0.00 0.00 O +HETATM 5130 HW SOL C1644 46.987 7.918 9.921 0.00 0.00 H +HETATM 5131 HW SOL C1644 47.692 7.199 8.721 0.00 0.00 H +HETATM 5132 OW SOL C1645 38.394 29.469 45.002 0.00 0.00 O +HETATM 5133 HW SOL C1645 37.710 28.761 44.892 0.00 0.00 H +HETATM 5134 HW SOL C1645 37.872 30.307 45.081 0.00 0.00 H +HETATM 5135 OW SOL C1646 34.964 44.450 3.329 0.00 0.00 O +HETATM 5136 HW SOL C1646 35.533 45.019 3.906 0.00 0.00 H +HETATM 5137 HW SOL C1646 34.046 44.583 3.677 0.00 0.00 H +HETATM 5138 OW SOL C1647 12.242 37.874 50.336 0.00 0.00 O +HETATM 5139 HW SOL C1647 12.493 38.830 50.384 0.00 0.00 H +HETATM 5140 HW SOL C1647 12.819 37.432 51.009 0.00 0.00 H +HETATM 5141 OW SOL C1648 54.708 38.140 3.171 0.00 0.00 O +HETATM 5142 HW SOL C1648 54.137 38.818 2.730 0.00 0.00 H +HETATM 5143 HW SOL C1648 54.219 37.287 3.050 0.00 0.00 H +HETATM 5144 OW SOL C1649 3.814 7.100 41.276 0.00 0.00 O +HETATM 5145 HW SOL C1649 4.540 7.532 40.760 0.00 0.00 H +HETATM 5146 HW SOL C1649 4.271 6.406 41.814 0.00 0.00 H +HETATM 5147 OW SOL C1650 4.092 8.058 5.437 0.00 0.00 O +HETATM 5148 HW SOL C1650 3.856 7.852 4.498 0.00 0.00 H +HETATM 5149 HW SOL C1650 4.919 7.540 5.604 0.00 0.00 H +HETATM 5150 OW SOL C1651 53.777 24.178 3.428 0.00 0.00 O +HETATM 5151 HW SOL C1651 52.793 24.081 3.393 0.00 0.00 H +HETATM 5152 HW SOL C1651 54.124 23.325 3.064 0.00 0.00 H +HETATM 5153 OW SOL C1652 14.348 12.403 6.611 0.00 0.00 O +HETATM 5154 HW SOL C1652 14.925 11.600 6.650 0.00 0.00 H +HETATM 5155 HW SOL C1652 13.724 12.298 7.372 0.00 0.00 H +HETATM 5156 OW SOL C1653 31.359 3.234 24.097 0.00 0.00 O +HETATM 5157 HW SOL C1653 30.589 3.810 24.334 0.00 0.00 H +HETATM 5158 HW SOL C1653 32.125 3.630 24.585 0.00 0.00 H +HETATM 5159 OW SOL C1654 39.276 13.519 47.424 0.00 0.00 O +HETATM 5160 HW SOL C1654 40.089 13.024 47.148 0.00 0.00 H +HETATM 5161 HW SOL C1654 39.451 14.455 47.150 0.00 0.00 H +HETATM 5162 OW SOL C1655 43.290 13.380 13.012 0.00 0.00 O +HETATM 5163 HW SOL C1655 43.566 12.445 12.838 0.00 0.00 H +HETATM 5164 HW SOL C1655 42.336 13.410 12.746 0.00 0.00 H +HETATM 5165 OW SOL C1656 33.347 53.473 15.735 0.00 0.00 O +HETATM 5166 HW SOL C1656 34.161 54.019 15.597 0.00 0.00 H +HETATM 5167 HW SOL C1656 33.678 52.540 15.776 0.00 0.00 H +HETATM 5168 OW SOL C1657 12.632 22.074 43.838 0.00 0.00 O +HETATM 5169 HW SOL C1657 13.620 22.065 43.897 0.00 0.00 H +HETATM 5170 HW SOL C1657 12.405 21.247 43.343 0.00 0.00 H +HETATM 5171 OW SOL C1658 6.200 6.264 49.503 0.00 0.00 O +HETATM 5172 HW SOL C1658 5.847 7.081 49.938 0.00 0.00 H +HETATM 5173 HW SOL C1658 7.127 6.184 49.841 0.00 0.00 H +HETATM 5174 OW SOL C1659 53.017 13.903 27.272 0.00 0.00 O +HETATM 5175 HW SOL C1659 53.838 14.448 27.366 0.00 0.00 H +HETATM 5176 HW SOL C1659 53.345 12.971 27.197 0.00 0.00 H +HETATM 5177 OW SOL C1660 17.768 25.250 43.799 0.00 0.00 O +HETATM 5178 HW SOL C1660 16.849 24.882 43.806 0.00 0.00 H +HETATM 5179 HW SOL C1660 17.643 26.232 43.793 0.00 0.00 H +HETATM 5180 OW SOL C1661 8.885 19.456 15.218 0.00 0.00 O +HETATM 5181 HW SOL C1661 9.036 20.339 14.797 0.00 0.00 H +HETATM 5182 HW SOL C1661 9.789 19.150 15.484 0.00 0.00 H +HETATM 5183 OW SOL C1662 17.330 47.137 12.975 0.00 0.00 O +HETATM 5184 HW SOL C1662 18.074 46.639 13.398 0.00 0.00 H +HETATM 5185 HW SOL C1662 17.126 47.867 13.611 0.00 0.00 H +HETATM 5186 OW SOL C1663 36.582 50.781 22.258 0.00 0.00 O +HETATM 5187 HW SOL C1663 37.068 50.259 21.571 0.00 0.00 H +HETATM 5188 HW SOL C1663 36.024 51.414 21.739 0.00 0.00 H +HETATM 5189 OW SOL C1664 53.670 48.860 13.059 0.00 0.00 O +HETATM 5190 HW SOL C1664 54.514 48.715 12.561 0.00 0.00 H +HETATM 5191 HW SOL C1664 53.631 48.109 13.704 0.00 0.00 H +HETATM 5192 OW SOL C1665 44.743 20.888 22.078 0.00 0.00 O +HETATM 5193 HW SOL C1665 43.877 20.470 22.313 0.00 0.00 H +HETATM 5194 HW SOL C1665 44.503 21.798 21.768 0.00 0.00 H +HETATM 5195 OW SOL C1666 9.179 39.829 11.287 0.00 0.00 O +HETATM 5196 HW SOL C1666 9.691 40.642 11.049 0.00 0.00 H +HETATM 5197 HW SOL C1666 9.860 39.113 11.340 0.00 0.00 H +HETATM 5198 OW SOL C1667 34.351 34.810 47.157 0.00 0.00 O +HETATM 5199 HW SOL C1667 33.675 34.093 47.064 0.00 0.00 H +HETATM 5200 HW SOL C1667 35.128 34.489 46.633 0.00 0.00 H +HETATM 5201 OW SOL C1668 19.506 33.627 51.459 0.00 0.00 O +HETATM 5202 HW SOL C1668 19.211 34.570 51.528 0.00 0.00 H +HETATM 5203 HW SOL C1668 18.665 33.105 51.430 0.00 0.00 H +HETATM 5204 OW SOL C1669 24.087 14.262 54.902 0.00 0.00 O +HETATM 5205 HW SOL C1669 25.063 14.426 54.909 0.00 0.00 H +HETATM 5206 HW SOL C1669 23.689 15.114 55.212 0.00 0.00 H +HETATM 5207 OW SOL C1670 26.288 51.982 4.743 0.00 0.00 O +HETATM 5208 HW SOL C1670 26.305 52.964 4.874 0.00 0.00 H +HETATM 5209 HW SOL C1670 27.153 51.668 5.109 0.00 0.00 H +HETATM 5210 OW SOL C1671 32.994 59.023 8.568 0.00 0.00 O +HETATM 5211 HW SOL C1671 33.247 58.910 7.617 0.00 0.00 H +HETATM 5212 HW SOL C1671 33.649 59.677 8.922 0.00 0.00 H +HETATM 5213 OW SOL C1672 14.028 5.904 6.272 0.00 0.00 O +HETATM 5214 HW SOL C1672 14.898 5.557 5.954 0.00 0.00 H +HETATM 5215 HW SOL C1672 13.397 5.151 6.143 0.00 0.00 H +HETATM 5216 OW SOL C1673 5.212 36.551 15.159 0.00 0.00 O +HETATM 5217 HW SOL C1673 5.522 37.413 14.784 0.00 0.00 H +HETATM 5218 HW SOL C1673 4.242 36.528 14.960 0.00 0.00 H +HETATM 5219 OW SOL C1674 47.200 4.606 17.940 0.00 0.00 O +HETATM 5220 HW SOL C1674 46.813 4.780 17.046 0.00 0.00 H +HETATM 5221 HW SOL C1674 46.606 3.920 18.338 0.00 0.00 H +HETATM 5222 OW SOL C1675 37.256 44.997 2.317 0.00 0.00 O +HETATM 5223 HW SOL C1675 38.225 45.202 2.327 0.00 0.00 H +HETATM 5224 HW SOL C1675 36.815 45.884 2.340 0.00 0.00 H +HETATM 5225 OW SOL C1676 24.019 4.541 21.713 0.00 0.00 O +HETATM 5226 HW SOL C1676 24.814 3.962 21.597 0.00 0.00 H +HETATM 5227 HW SOL C1676 24.350 5.316 22.234 0.00 0.00 H +HETATM 5228 OW SOL C1677 24.363 30.542 12.736 0.00 0.00 O +HETATM 5229 HW SOL C1677 23.734 30.115 12.101 0.00 0.00 H +HETATM 5230 HW SOL C1677 24.552 31.430 12.339 0.00 0.00 H +HETATM 5231 OW SOL C1678 48.364 41.966 20.580 0.00 0.00 O +HETATM 5232 HW SOL C1678 49.353 41.945 20.591 0.00 0.00 H +HETATM 5233 HW SOL C1678 48.136 42.929 20.572 0.00 0.00 H +HETATM 5234 OW SOL C1679 44.206 50.890 45.367 0.00 0.00 O +HETATM 5235 HW SOL C1679 45.124 51.104 45.670 0.00 0.00 H +HETATM 5236 HW SOL C1679 43.870 51.737 44.978 0.00 0.00 H +HETATM 5237 OW SOL C1680 15.028 52.685 1.178 0.00 0.00 O +HETATM 5238 HW SOL C1680 14.669 53.440 0.648 0.00 0.00 H +HETATM 5239 HW SOL C1680 15.305 52.017 0.501 0.00 0.00 H +HETATM 5240 OW SOL C1681 14.541 38.758 32.012 0.00 0.00 O +HETATM 5241 HW SOL C1681 13.840 39.321 32.426 0.00 0.00 H +HETATM 5242 HW SOL C1681 14.431 38.899 31.038 0.00 0.00 H +HETATM 5243 OW SOL C1682 8.717 4.235 3.463 0.00 0.00 O +HETATM 5244 HW SOL C1682 8.960 4.835 4.212 0.00 0.00 H +HETATM 5245 HW SOL C1682 7.796 4.505 3.216 0.00 0.00 H +HETATM 5246 OW SOL C1683 22.913 29.433 41.737 0.00 0.00 O +HETATM 5247 HW SOL C1683 21.930 29.384 41.840 0.00 0.00 H +HETATM 5248 HW SOL C1683 23.084 30.352 41.409 0.00 0.00 H +HETATM 5249 OW SOL C1684 27.637 36.019 3.845 0.00 0.00 O +HETATM 5250 HW SOL C1684 28.186 36.066 4.667 0.00 0.00 H +HETATM 5251 HW SOL C1684 26.804 36.503 4.075 0.00 0.00 H +HETATM 5252 OW SOL C1685 19.820 9.250 12.195 0.00 0.00 O +HETATM 5253 HW SOL C1685 20.400 9.647 11.498 0.00 0.00 H +HETATM 5254 HW SOL C1685 19.606 10.005 12.799 0.00 0.00 H +HETATM 5255 OW SOL C1686 19.076 45.808 36.830 0.00 0.00 O +HETATM 5256 HW SOL C1686 18.693 45.354 36.038 0.00 0.00 H +HETATM 5257 HW SOL C1686 19.279 46.725 36.517 0.00 0.00 H +HETATM 5258 OW SOL C1687 25.330 12.903 13.392 0.00 0.00 O +HETATM 5259 HW SOL C1687 26.243 13.170 13.666 0.00 0.00 H +HETATM 5260 HW SOL C1687 25.451 12.023 12.952 0.00 0.00 H +HETATM 5261 OW SOL C1688 25.684 54.737 41.533 0.00 0.00 O +HETATM 5262 HW SOL C1688 26.095 55.619 41.351 0.00 0.00 H +HETATM 5263 HW SOL C1688 24.722 54.934 41.667 0.00 0.00 H +HETATM 5264 OW SOL C1689 30.672 7.014 42.292 0.00 0.00 O +HETATM 5265 HW SOL C1689 29.723 7.290 42.235 0.00 0.00 H +HETATM 5266 HW SOL C1689 30.653 6.161 42.795 0.00 0.00 H +HETATM 5267 OW SOL C1690 19.488 4.978 54.206 0.00 0.00 O +HETATM 5268 HW SOL C1690 19.687 4.013 54.298 0.00 0.00 H +HETATM 5269 HW SOL C1690 20.375 5.418 54.231 0.00 0.00 H +HETATM 5270 OW SOL C1691 43.308 30.893 40.003 0.00 0.00 O +HETATM 5271 HW SOL C1691 43.051 31.825 39.791 0.00 0.00 H +HETATM 5272 HW SOL C1691 42.626 30.590 40.655 0.00 0.00 H +HETATM 5273 OW SOL C1692 51.746 17.880 23.654 0.00 0.00 O +HETATM 5274 HW SOL C1692 51.603 17.394 22.804 0.00 0.00 H +HETATM 5275 HW SOL C1692 52.042 18.784 23.377 0.00 0.00 H +HETATM 5276 OW SOL C1693 48.342 22.575 40.903 0.00 0.00 O +HETATM 5277 HW SOL C1693 48.138 23.500 41.191 0.00 0.00 H +HETATM 5278 HW SOL C1693 47.523 22.275 40.433 0.00 0.00 H +HETATM 5279 OW SOL C1694 24.996 52.469 10.101 0.00 0.00 O +HETATM 5280 HW SOL C1694 25.647 52.924 9.509 0.00 0.00 H +HETATM 5281 HW SOL C1694 24.113 52.809 9.807 0.00 0.00 H +HETATM 5282 OW SOL C1695 56.547 57.474 10.230 0.00 0.00 O +HETATM 5283 HW SOL C1695 56.947 57.091 9.409 0.00 0.00 H +HETATM 5284 HW SOL C1695 57.223 57.311 10.935 0.00 0.00 H +HETATM 5285 OW SOL C1696 46.025 55.492 32.381 0.00 0.00 O +HETATM 5286 HW SOL C1696 45.533 54.653 32.195 0.00 0.00 H +HETATM 5287 HW SOL C1696 46.970 55.277 32.172 0.00 0.00 H +HETATM 5288 OW SOL C1697 45.335 33.561 23.443 0.00 0.00 O +HETATM 5289 HW SOL C1697 45.212 34.543 23.475 0.00 0.00 H +HETATM 5290 HW SOL C1697 46.286 33.437 23.197 0.00 0.00 H +HETATM 5291 OW SOL C1698 31.861 52.166 35.017 0.00 0.00 O +HETATM 5292 HW SOL C1698 31.626 53.122 35.122 0.00 0.00 H +HETATM 5293 HW SOL C1698 30.991 51.693 35.043 0.00 0.00 H +HETATM 5294 OW SOL C1699 19.718 20.461 31.456 0.00 0.00 O +HETATM 5295 HW SOL C1699 19.857 21.091 32.207 0.00 0.00 H +HETATM 5296 HW SOL C1699 20.148 19.620 31.754 0.00 0.00 H +HETATM 5297 OW SOL C1700 29.740 40.834 2.083 0.00 0.00 O +HETATM 5298 HW SOL C1700 28.832 40.492 2.281 0.00 0.00 H +HETATM 5299 HW SOL C1700 30.312 40.445 2.791 0.00 0.00 H +HETATM 5300 OW SOL C1701 2.295 57.756 55.002 0.00 0.00 O +HETATM 5301 HW SOL C1701 2.473 58.318 54.207 0.00 0.00 H +HETATM 5302 HW SOL C1701 1.905 56.923 54.635 0.00 0.00 H +HETATM 5303 OW SOL C1702 1.652 22.382 15.463 0.00 0.00 O +HETATM 5304 HW SOL C1702 0.956 23.023 15.756 0.00 0.00 H +HETATM 5305 HW SOL C1702 1.216 21.853 14.749 0.00 0.00 H +HETATM 5306 OW SOL C1703 42.771 0.766 20.000 0.00 0.00 O +HETATM 5307 HW SOL C1703 43.499 0.557 19.364 0.00 0.00 H +HETATM 5308 HW SOL C1703 42.159 1.357 19.493 0.00 0.00 H +HETATM 5309 OW SOL C1704 20.606 0.517 58.085 0.00 0.00 O +HETATM 5310 HW SOL C1704 21.098 0.154 57.306 0.00 0.00 H +HETATM 5311 HW SOL C1704 21.189 0.321 58.861 0.00 0.00 H +HETATM 5312 OW SOL C1705 26.782 12.645 4.565 0.00 0.00 O +HETATM 5313 HW SOL C1705 25.967 12.960 4.100 0.00 0.00 H +HETATM 5314 HW SOL C1705 27.181 13.466 4.949 0.00 0.00 H +HETATM 5315 OW SOL C1706 30.413 43.949 0.498 0.00 0.00 O +HETATM 5316 HW SOL C1706 29.431 43.833 0.448 0.00 0.00 H +HETATM 5317 HW SOL C1706 30.782 43.088 0.177 0.00 0.00 H +HETATM 5318 OW SOL C1707 48.345 15.042 33.695 0.00 0.00 O +HETATM 5319 HW SOL C1707 47.918 15.867 34.040 0.00 0.00 H +HETATM 5320 HW SOL C1707 49.315 15.243 33.703 0.00 0.00 H +HETATM 5321 OW SOL C1708 30.168 57.857 20.546 0.00 0.00 O +HETATM 5322 HW SOL C1708 30.502 57.453 21.386 0.00 0.00 H +HETATM 5323 HW SOL C1708 30.766 57.498 19.842 0.00 0.00 H +HETATM 5324 OW SOL C1709 48.774 42.434 23.170 0.00 0.00 O +HETATM 5325 HW SOL C1709 49.324 43.187 22.837 0.00 0.00 H +HETATM 5326 HW SOL C1709 49.355 41.638 23.067 0.00 0.00 H +HETATM 5327 OW SOL C1710 29.256 54.031 1.426 0.00 0.00 O +HETATM 5328 HW SOL C1710 29.198 53.271 2.058 0.00 0.00 H +HETATM 5329 HW SOL C1710 29.065 53.631 0.539 0.00 0.00 H +HETATM 5330 OW SOL C1711 49.012 13.401 40.863 0.00 0.00 O +HETATM 5331 HW SOL C1711 49.871 13.881 40.758 0.00 0.00 H +HETATM 5332 HW SOL C1711 49.181 12.503 40.483 0.00 0.00 H +HETATM 5333 OW SOL C1712 40.655 49.622 55.568 0.00 0.00 O +HETATM 5334 HW SOL C1712 39.677 49.488 55.499 0.00 0.00 H +HETATM 5335 HW SOL C1712 41.040 48.721 55.422 0.00 0.00 H +HETATM 5336 OW SOL C1713 18.054 19.854 22.245 0.00 0.00 O +HETATM 5337 HW SOL C1713 17.499 20.634 21.993 0.00 0.00 H +HETATM 5338 HW SOL C1713 17.400 19.129 22.414 0.00 0.00 H +HETATM 5339 OW SOL C1714 57.747 46.369 45.116 0.00 0.00 O +HETATM 5340 HW SOL C1714 58.131 46.367 44.203 0.00 0.00 H +HETATM 5341 HW SOL C1714 57.605 45.412 45.327 0.00 0.00 H +HETATM 5342 OW SOL C1715 16.904 42.599 53.356 0.00 0.00 O +HETATM 5343 HW SOL C1715 16.369 43.303 53.801 0.00 0.00 H +HETATM 5344 HW SOL C1715 16.456 41.751 53.606 0.00 0.00 H +HETATM 5345 OW SOL C1716 11.464 44.767 32.970 0.00 0.00 O +HETATM 5346 HW SOL C1716 11.422 45.037 33.922 0.00 0.00 H +HETATM 5347 HW SOL C1716 10.516 44.708 32.687 0.00 0.00 H +HETATM 5348 OW SOL C1717 10.831 28.403 32.652 0.00 0.00 O +HETATM 5349 HW SOL C1717 11.575 28.156 32.047 0.00 0.00 H +HETATM 5350 HW SOL C1717 10.105 27.768 32.426 0.00 0.00 H +HETATM 5351 OW SOL C1718 55.123 1.998 51.302 0.00 0.00 O +HETATM 5352 HW SOL C1718 54.259 2.390 51.017 0.00 0.00 H +HETATM 5353 HW SOL C1718 54.964 1.021 51.299 0.00 0.00 H +HETATM 5354 OW SOL C1719 35.544 45.756 42.855 0.00 0.00 O +HETATM 5355 HW SOL C1719 34.755 46.046 43.377 0.00 0.00 H +HETATM 5356 HW SOL C1719 35.987 45.080 43.429 0.00 0.00 H +HETATM 5357 OW SOL C1720 44.634 8.306 17.633 0.00 0.00 O +HETATM 5358 HW SOL C1720 44.054 7.511 17.738 0.00 0.00 H +HETATM 5359 HW SOL C1720 44.405 8.663 16.738 0.00 0.00 H +HETATM 5360 OW SOL C1721 8.823 7.583 4.129 0.00 0.00 O +HETATM 5361 HW SOL C1721 8.583 7.891 3.220 0.00 0.00 H +HETATM 5362 HW SOL C1721 8.983 8.417 4.639 0.00 0.00 H +HETATM 5363 OW SOL C1722 18.830 15.847 50.564 0.00 0.00 O +HETATM 5364 HW SOL C1722 19.657 15.367 50.309 0.00 0.00 H +HETATM 5365 HW SOL C1722 19.115 16.788 50.682 0.00 0.00 H +HETATM 5366 OW SOL C1723 53.215 41.596 57.387 0.00 0.00 O +HETATM 5367 HW SOL C1723 52.263 41.864 57.420 0.00 0.00 H +HETATM 5368 HW SOL C1723 53.199 40.609 57.459 0.00 0.00 H +HETATM 5369 OW SOL C1724 9.751 13.762 18.993 0.00 0.00 O +HETATM 5370 HW SOL C1724 9.234 14.366 18.404 0.00 0.00 H +HETATM 5371 HW SOL C1724 10.679 13.817 18.653 0.00 0.00 H +HETATM 5372 OW SOL C1725 14.971 51.106 44.121 0.00 0.00 O +HETATM 5373 HW SOL C1725 15.821 50.827 44.544 0.00 0.00 H +HETATM 5374 HW SOL C1725 14.997 52.096 44.140 0.00 0.00 H +HETATM 5375 OW SOL C1726 23.916 35.783 49.694 0.00 0.00 O +HETATM 5376 HW SOL C1726 22.964 35.616 49.908 0.00 0.00 H +HETATM 5377 HW SOL C1726 24.222 34.950 49.255 0.00 0.00 H +HETATM 5378 OW SOL C1727 38.652 2.245 12.455 0.00 0.00 O +HETATM 5379 HW SOL C1727 38.380 3.112 12.062 0.00 0.00 H +HETATM 5380 HW SOL C1727 39.640 2.295 12.506 0.00 0.00 H +HETATM 5381 OW SOL C1728 4.932 54.710 39.212 0.00 0.00 O +HETATM 5382 HW SOL C1728 5.507 53.904 39.191 0.00 0.00 H +HETATM 5383 HW SOL C1728 5.562 55.461 39.356 0.00 0.00 H +HETATM 5384 OW SOL C1729 22.396 53.758 35.335 0.00 0.00 O +HETATM 5385 HW SOL C1729 23.219 53.208 35.346 0.00 0.00 H +HETATM 5386 HW SOL C1729 22.708 54.667 35.096 0.00 0.00 H +HETATM 5387 OW SOL C1730 29.317 10.317 5.718 0.00 0.00 O +HETATM 5388 HW SOL C1730 29.836 9.730 6.324 0.00 0.00 H +HETATM 5389 HW SOL C1730 28.517 9.784 5.480 0.00 0.00 H +HETATM 5390 OW SOL C1731 58.929 23.448 12.466 0.00 0.00 O +HETATM 5391 HW SOL C1731 59.162 24.297 12.014 0.00 0.00 H +HETATM 5392 HW SOL C1731 58.953 23.666 13.432 0.00 0.00 H +HETATM 5393 OW SOL C1732 34.470 57.870 40.856 0.00 0.00 O +HETATM 5394 HW SOL C1732 33.655 58.409 41.015 0.00 0.00 H +HETATM 5395 HW SOL C1732 35.218 58.497 41.026 0.00 0.00 H +HETATM 5396 OW SOL C1733 16.971 58.714 47.529 0.00 0.00 O +HETATM 5397 HW SOL C1733 16.327 58.926 48.250 0.00 0.00 H +HETATM 5398 HW SOL C1733 17.047 57.727 47.546 0.00 0.00 H +HETATM 5399 OW SOL C1734 40.088 48.725 18.181 0.00 0.00 O +HETATM 5400 HW SOL C1734 39.572 49.306 17.568 0.00 0.00 H +HETATM 5401 HW SOL C1734 40.397 49.334 18.899 0.00 0.00 H +HETATM 5402 OW SOL C1735 19.163 39.308 20.476 0.00 0.00 O +HETATM 5403 HW SOL C1735 19.238 39.732 19.585 0.00 0.00 H +HETATM 5404 HW SOL C1735 20.042 39.470 20.903 0.00 0.00 H +HETATM 5405 OW SOL C1736 34.546 57.693 0.785 0.00 0.00 O +HETATM 5406 HW SOL C1736 35.317 57.139 0.506 0.00 0.00 H +HETATM 5407 HW SOL C1736 34.143 57.195 1.541 0.00 0.00 H +HETATM 5408 OW SOL C1737 56.057 42.081 40.033 0.00 0.00 O +HETATM 5409 HW SOL C1737 56.638 42.880 40.089 0.00 0.00 H +HETATM 5410 HW SOL C1737 56.611 41.345 40.396 0.00 0.00 H +HETATM 5411 OW SOL C1738 7.315 59.243 37.222 0.00 0.00 O +HETATM 5412 HW SOL C1738 7.812 58.494 37.635 0.00 0.00 H +HETATM 5413 HW SOL C1738 7.299 59.945 37.920 0.00 0.00 H +HETATM 5414 OW SOL C1739 35.082 40.574 17.816 0.00 0.00 O +HETATM 5415 HW SOL C1739 34.540 39.746 17.834 0.00 0.00 H +HETATM 5416 HW SOL C1739 34.627 41.154 17.155 0.00 0.00 H +HETATM 5417 OW SOL C1740 34.839 48.913 58.148 0.00 0.00 O +HETATM 5418 HW SOL C1740 34.785 48.073 58.669 0.00 0.00 H +HETATM 5419 HW SOL C1740 35.733 48.886 57.724 0.00 0.00 H +HETATM 5420 OW SOL C1741 11.614 36.966 11.080 0.00 0.00 O +HETATM 5421 HW SOL C1741 12.177 36.242 11.452 0.00 0.00 H +HETATM 5422 HW SOL C1741 11.566 37.641 11.803 0.00 0.00 H +HETATM 5423 OW SOL C1742 42.716 4.596 11.398 0.00 0.00 O +HETATM 5424 HW SOL C1742 42.656 3.788 11.967 0.00 0.00 H +HETATM 5425 HW SOL C1742 43.493 4.426 10.807 0.00 0.00 H +HETATM 5426 OW SOL C1743 46.911 16.568 12.893 0.00 0.00 O +HETATM 5427 HW SOL C1743 47.686 17.178 12.806 0.00 0.00 H +HETATM 5428 HW SOL C1743 46.120 17.163 12.854 0.00 0.00 H +HETATM 5429 OW SOL C1744 8.726 8.364 19.889 0.00 0.00 O +HETATM 5430 HW SOL C1744 9.000 9.266 19.586 0.00 0.00 H +HETATM 5431 HW SOL C1744 7.755 8.322 19.697 0.00 0.00 H +HETATM 5432 OW SOL C1745 4.367 5.796 17.221 0.00 0.00 O +HETATM 5433 HW SOL C1745 4.183 5.703 16.252 0.00 0.00 H +HETATM 5434 HW SOL C1745 3.545 6.204 17.592 0.00 0.00 H +HETATM 5435 OW SOL C1746 43.535 15.809 29.229 0.00 0.00 O +HETATM 5436 HW SOL C1746 43.452 16.137 30.159 0.00 0.00 H +HETATM 5437 HW SOL C1746 42.949 16.408 28.701 0.00 0.00 H +HETATM 5438 OW SOL C1747 34.435 20.345 60.001 0.00 0.00 O +HETATM 5439 HW SOL C1747 35.128 19.638 60.001 0.00 0.00 H +HETATM 5440 HW SOL C1747 33.576 19.851 60.001 0.00 0.00 H +HETATM 5441 OW SOL C1748 6.497 11.242 20.334 0.00 0.00 O +HETATM 5442 HW SOL C1748 6.658 11.559 21.257 0.00 0.00 H +HETATM 5443 HW SOL C1748 6.881 10.329 20.314 0.00 0.00 H +HETATM 5444 OW SOL C1749 57.595 26.695 18.116 0.00 0.00 O +HETATM 5445 HW SOL C1749 58.097 26.726 18.969 0.00 0.00 H +HETATM 5446 HW SOL C1749 57.885 25.850 17.688 0.00 0.00 H +HETATM 5447 OW SOL C1750 34.945 6.565 11.277 0.00 0.00 O +HETATM 5448 HW SOL C1750 34.426 7.280 11.724 0.00 0.00 H +HETATM 5449 HW SOL C1750 34.276 6.073 10.737 0.00 0.00 H +HETATM 5450 OW SOL C1751 2.990 12.833 2.059 0.00 0.00 O +HETATM 5451 HW SOL C1751 3.601 12.061 2.154 0.00 0.00 H +HETATM 5452 HW SOL C1751 3.163 13.176 1.146 0.00 0.00 H +HETATM 5453 OW SOL C1752 48.745 21.980 36.845 0.00 0.00 O +HETATM 5454 HW SOL C1752 48.286 21.717 37.682 0.00 0.00 H +HETATM 5455 HW SOL C1752 48.572 22.952 36.762 0.00 0.00 H +HETATM 5456 OW SOL C1753 11.673 37.086 36.687 0.00 0.00 O +HETATM 5457 HW SOL C1753 11.032 36.934 37.426 0.00 0.00 H +HETATM 5458 HW SOL C1753 11.718 36.217 36.215 0.00 0.00 H +HETATM 5459 OW SOL C1754 58.302 47.225 30.776 0.00 0.00 O +HETATM 5460 HW SOL C1754 58.700 47.351 31.673 0.00 0.00 H +HETATM 5461 HW SOL C1754 58.328 48.126 30.364 0.00 0.00 H +HETATM 5462 OW SOL C1755 43.520 58.883 35.226 0.00 0.00 O +HETATM 5463 HW SOL C1755 44.332 59.020 34.676 0.00 0.00 H +HETATM 5464 HW SOL C1755 43.332 57.913 35.153 0.00 0.00 H +HETATM 5465 OW SOL C1756 50.513 7.680 22.840 0.00 0.00 O +HETATM 5466 HW SOL C1756 49.603 7.349 22.636 0.00 0.00 H +HETATM 5467 HW SOL C1756 50.447 8.034 23.763 0.00 0.00 H +HETATM 5468 OW SOL C1757 30.079 22.330 47.238 0.00 0.00 O +HETATM 5469 HW SOL C1757 30.015 22.545 48.202 0.00 0.00 H +HETATM 5470 HW SOL C1757 29.144 22.368 46.913 0.00 0.00 H +HETATM 5471 OW SOL C1758 1.588 36.293 19.868 0.00 0.00 O +HETATM 5472 HW SOL C1758 1.314 37.212 20.115 0.00 0.00 H +HETATM 5473 HW SOL C1758 2.573 36.343 19.778 0.00 0.00 H +HETATM 5474 OW SOL C1759 42.798 36.082 55.122 0.00 0.00 O +HETATM 5475 HW SOL C1759 42.433 36.291 56.018 0.00 0.00 H +HETATM 5476 HW SOL C1759 42.206 36.567 54.493 0.00 0.00 H +HETATM 5477 OW SOL C1760 22.953 29.289 46.536 0.00 0.00 O +HETATM 5478 HW SOL C1760 22.129 28.782 46.744 0.00 0.00 H +HETATM 5479 HW SOL C1760 22.666 29.966 45.871 0.00 0.00 H +HETATM 5480 OW SOL C1761 43.842 43.352 47.778 0.00 0.00 O +HETATM 5481 HW SOL C1761 43.747 42.374 47.665 0.00 0.00 H +HETATM 5482 HW SOL C1761 43.373 43.740 46.996 0.00 0.00 H +HETATM 5483 OW SOL C1762 24.329 7.395 17.573 0.00 0.00 O +HETATM 5484 HW SOL C1762 23.771 6.624 17.842 0.00 0.00 H +HETATM 5485 HW SOL C1762 23.902 8.176 18.007 0.00 0.00 H +HETATM 5486 OW SOL C1763 13.759 23.232 56.408 0.00 0.00 O +HETATM 5487 HW SOL C1763 13.760 24.216 56.302 0.00 0.00 H +HETATM 5488 HW SOL C1763 14.566 22.929 55.920 0.00 0.00 H +HETATM 5489 OW SOL C1764 13.654 17.463 37.416 0.00 0.00 O +HETATM 5490 HW SOL C1764 14.357 17.834 36.827 0.00 0.00 H +HETATM 5491 HW SOL C1764 13.721 17.994 38.249 0.00 0.00 H +HETATM 5492 OW SOL C1765 36.328 17.515 53.226 0.00 0.00 O +HETATM 5493 HW SOL C1765 36.930 16.729 53.240 0.00 0.00 H +HETATM 5494 HW SOL C1765 36.939 18.295 53.229 0.00 0.00 H +HETATM 5495 OW SOL C1766 28.893 55.216 36.989 0.00 0.00 O +HETATM 5496 HW SOL C1766 28.346 55.958 36.631 0.00 0.00 H +HETATM 5497 HW SOL C1766 28.398 54.906 37.790 0.00 0.00 H +HETATM 5498 OW SOL C1767 33.366 2.988 44.724 0.00 0.00 O +HETATM 5499 HW SOL C1767 34.038 2.281 44.895 0.00 0.00 H +HETATM 5500 HW SOL C1767 33.807 3.826 45.015 0.00 0.00 H +HETATM 5501 OW SOL C1768 14.033 57.628 9.385 0.00 0.00 O +HETATM 5502 HW SOL C1768 14.889 57.459 8.916 0.00 0.00 H +HETATM 5503 HW SOL C1768 13.538 56.773 9.315 0.00 0.00 H +HETATM 5504 OW SOL C1769 52.628 15.363 25.072 0.00 0.00 O +HETATM 5505 HW SOL C1769 52.909 15.379 24.123 0.00 0.00 H +HETATM 5506 HW SOL C1769 51.649 15.514 25.044 0.00 0.00 H +HETATM 5507 OW SOL C1770 46.141 57.247 12.743 0.00 0.00 O +HETATM 5508 HW SOL C1770 46.540 56.563 13.338 0.00 0.00 H +HETATM 5509 HW SOL C1770 46.787 57.337 11.999 0.00 0.00 H +HETATM 5510 OW SOL C1771 44.783 3.354 31.888 0.00 0.00 O +HETATM 5511 HW SOL C1771 44.670 2.370 31.888 0.00 0.00 H +HETATM 5512 HW SOL C1771 45.764 3.491 31.887 0.00 0.00 H +HETATM 5513 OW SOL C1772 36.917 56.952 16.356 0.00 0.00 O +HETATM 5514 HW SOL C1772 36.201 57.454 16.821 0.00 0.00 H +HETATM 5515 HW SOL C1772 37.002 57.399 15.476 0.00 0.00 H +HETATM 5516 OW SOL C1773 39.513 25.462 51.514 0.00 0.00 O +HETATM 5517 HW SOL C1773 40.011 26.253 51.841 0.00 0.00 H +HETATM 5518 HW SOL C1773 38.752 25.371 52.142 0.00 0.00 H +HETATM 5519 OW SOL C1774 40.897 25.838 38.438 0.00 0.00 O +HETATM 5520 HW SOL C1774 41.049 24.892 38.192 0.00 0.00 H +HETATM 5521 HW SOL C1774 41.321 26.356 37.707 0.00 0.00 H +HETATM 5522 OW SOL C1775 50.305 32.355 32.422 0.00 0.00 O +HETATM 5523 HW SOL C1775 49.542 32.686 31.885 0.00 0.00 H +HETATM 5524 HW SOL C1775 49.905 32.105 33.293 0.00 0.00 H +HETATM 5525 OW SOL C1776 58.833 18.216 13.864 0.00 0.00 O +HETATM 5526 HW SOL C1776 57.882 18.003 13.692 0.00 0.00 H +HETATM 5527 HW SOL C1776 58.863 19.205 13.904 0.00 0.00 H +HETATM 5528 OW SOL C1777 4.605 30.748 57.445 0.00 0.00 O +HETATM 5529 HW SOL C1777 4.504 31.707 57.667 0.00 0.00 H +HETATM 5530 HW SOL C1777 5.230 30.399 58.129 0.00 0.00 H +HETATM 5531 OW SOL C1778 17.735 54.777 20.939 0.00 0.00 O +HETATM 5532 HW SOL C1778 17.817 53.796 20.841 0.00 0.00 H +HETATM 5533 HW SOL C1778 16.785 54.924 21.179 0.00 0.00 H +HETATM 5534 OW SOL C1779 24.010 52.343 1.892 0.00 0.00 O +HETATM 5535 HW SOL C1779 23.255 52.487 2.516 0.00 0.00 H +HETATM 5536 HW SOL C1779 23.617 51.834 1.139 0.00 0.00 H +HETATM 5537 OW SOL C1780 39.492 58.328 10.551 0.00 0.00 O +HETATM 5538 HW SOL C1780 40.288 58.917 10.528 0.00 0.00 H +HETATM 5539 HW SOL C1780 38.722 58.949 10.510 0.00 0.00 H +HETATM 5540 OW SOL C1781 45.400 55.879 10.024 0.00 0.00 O +HETATM 5541 HW SOL C1781 45.844 56.328 9.261 0.00 0.00 H +HETATM 5542 HW SOL C1781 45.198 54.968 9.693 0.00 0.00 H +HETATM 5543 OW SOL C1782 54.639 33.034 53.731 0.00 0.00 O +HETATM 5544 HW SOL C1782 54.363 32.085 53.794 0.00 0.00 H +HETATM 5545 HW SOL C1782 53.909 33.472 53.225 0.00 0.00 H +HETATM 5546 OW SOL C1783 17.504 43.413 24.366 0.00 0.00 O +HETATM 5547 HW SOL C1783 17.697 44.197 23.794 0.00 0.00 H +HETATM 5548 HW SOL C1783 18.104 42.703 24.026 0.00 0.00 H +HETATM 5549 OW SOL C1784 1.697 46.460 9.071 0.00 0.00 O +HETATM 5550 HW SOL C1784 1.567 47.149 8.372 0.00 0.00 H +HETATM 5551 HW SOL C1784 1.495 45.603 8.616 0.00 0.00 H +HETATM 5552 OW SOL C1785 9.651 57.121 16.281 0.00 0.00 O +HETATM 5553 HW SOL C1785 9.638 56.241 15.826 0.00 0.00 H +HETATM 5554 HW SOL C1785 10.318 57.651 15.775 0.00 0.00 H +HETATM 5555 OW SOL C1786 16.414 9.861 38.336 0.00 0.00 O +HETATM 5556 HW SOL C1786 16.025 9.009 38.015 0.00 0.00 H +HETATM 5557 HW SOL C1786 15.659 10.331 38.771 0.00 0.00 H +HETATM 5558 OW SOL C1787 44.818 32.041 24.961 0.00 0.00 O +HETATM 5559 HW SOL C1787 43.893 31.976 25.307 0.00 0.00 H +HETATM 5560 HW SOL C1787 45.035 31.123 24.658 0.00 0.00 H +HETATM 5561 OW SOL C1788 19.328 54.532 23.130 0.00 0.00 O +HETATM 5562 HW SOL C1788 19.253 55.224 23.834 0.00 0.00 H +HETATM 5563 HW SOL C1788 20.245 54.173 23.230 0.00 0.00 H +HETATM 5564 OW SOL C1789 18.048 59.742 50.340 0.00 0.00 O +HETATM 5565 HW SOL C1789 18.837 59.148 50.269 0.00 0.00 H +HETATM 5566 HW SOL C1789 17.271 59.135 50.249 0.00 0.00 H +HETATM 5567 OW SOL C1790 35.833 4.467 47.033 0.00 0.00 O +HETATM 5568 HW SOL C1790 36.398 3.670 46.873 0.00 0.00 H +HETATM 5569 HW SOL C1790 34.932 4.099 47.218 0.00 0.00 H +HETATM 5570 OW SOL C1791 28.154 51.566 26.684 0.00 0.00 O +HETATM 5571 HW SOL C1791 28.348 52.435 27.117 0.00 0.00 H +HETATM 5572 HW SOL C1791 27.168 51.479 26.733 0.00 0.00 H +HETATM 5573 OW SOL C1792 27.392 54.698 46.383 0.00 0.00 O +HETATM 5574 HW SOL C1792 27.802 55.293 47.059 0.00 0.00 H +HETATM 5575 HW SOL C1792 27.454 53.792 46.779 0.00 0.00 H +HETATM 5576 OW SOL C1793 55.598 50.756 53.798 0.00 0.00 O +HETATM 5577 HW SOL C1793 54.825 51.173 53.341 0.00 0.00 H +HETATM 5578 HW SOL C1793 55.746 49.906 53.310 0.00 0.00 H +HETATM 5579 OW SOL C1794 24.959 50.996 13.045 0.00 0.00 O +HETATM 5580 HW SOL C1794 25.939 50.902 13.149 0.00 0.00 H +HETATM 5581 HW SOL C1794 24.824 51.953 12.827 0.00 0.00 H +HETATM 5582 OW SOL C1795 10.171 47.842 10.962 0.00 0.00 O +HETATM 5583 HW SOL C1795 10.926 48.334 10.553 0.00 0.00 H +HETATM 5584 HW SOL C1795 9.912 47.172 10.280 0.00 0.00 H +HETATM 5585 OW SOL C1796 36.015 41.727 1.558 0.00 0.00 O +HETATM 5586 HW SOL C1796 35.179 42.027 1.122 0.00 0.00 H +HETATM 5587 HW SOL C1796 36.361 42.536 2.013 0.00 0.00 H +HETATM 5588 OW SOL C1797 40.679 14.052 3.408 0.00 0.00 O +HETATM 5589 HW SOL C1797 41.028 14.952 3.629 0.00 0.00 H +HETATM 5590 HW SOL C1797 41.472 13.461 3.451 0.00 0.00 H +HETATM 5591 OW SOL C1798 31.667 53.055 32.889 0.00 0.00 O +HETATM 5592 HW SOL C1798 31.446 53.546 32.058 0.00 0.00 H +HETATM 5593 HW SOL C1798 32.482 52.540 32.663 0.00 0.00 H +HETATM 5594 OW SOL C1799 23.491 23.437 44.151 0.00 0.00 O +HETATM 5595 HW SOL C1799 23.424 23.553 45.132 0.00 0.00 H +HETATM 5596 HW SOL C1799 24.432 23.662 43.938 0.00 0.00 H +HETATM 5597 OW SOL C1800 5.844 9.169 2.055 0.00 0.00 O +HETATM 5598 HW SOL C1800 6.507 9.899 2.140 0.00 0.00 H +HETATM 5599 HW SOL C1800 6.368 8.340 2.197 0.00 0.00 H +HETATM 5600 OW SOL C1801 29.343 30.111 54.272 0.00 0.00 O +HETATM 5601 HW SOL C1801 29.680 30.601 55.064 0.00 0.00 H +HETATM 5602 HW SOL C1801 28.486 30.557 54.051 0.00 0.00 H +HETATM 5603 OW SOL C1802 54.026 37.704 14.298 0.00 0.00 O +HETATM 5604 HW SOL C1802 54.698 38.258 13.827 0.00 0.00 H +HETATM 5605 HW SOL C1802 53.636 38.310 14.977 0.00 0.00 H +HETATM 5606 OW SOL C1803 49.447 53.728 17.387 0.00 0.00 O +HETATM 5607 HW SOL C1803 49.387 52.756 17.210 0.00 0.00 H +HETATM 5608 HW SOL C1803 49.699 54.125 16.515 0.00 0.00 H +HETATM 5609 OW SOL C1804 7.464 51.501 38.468 0.00 0.00 O +HETATM 5610 HW SOL C1804 6.768 52.056 38.901 0.00 0.00 H +HETATM 5611 HW SOL C1804 8.316 51.816 38.863 0.00 0.00 H +HETATM 5612 OW SOL C1805 13.893 33.079 33.983 0.00 0.00 O +HETATM 5613 HW SOL C1805 12.975 33.227 34.322 0.00 0.00 H +HETATM 5614 HW SOL C1805 13.767 32.600 33.125 0.00 0.00 H +HETATM 5615 OW SOL C1806 14.110 14.924 57.551 0.00 0.00 O +HETATM 5616 HW SOL C1806 14.539 14.528 58.350 0.00 0.00 H +HETATM 5617 HW SOL C1806 13.475 15.591 57.916 0.00 0.00 H +HETATM 5618 OW SOL C1807 14.769 42.314 31.018 0.00 0.00 O +HETATM 5619 HW SOL C1807 14.073 42.961 31.295 0.00 0.00 H +HETATM 5620 HW SOL C1807 15.521 42.475 31.642 0.00 0.00 H +HETATM 5621 OW SOL C1808 45.461 40.274 40.807 0.00 0.00 O +HETATM 5622 HW SOL C1808 44.842 39.899 40.131 0.00 0.00 H +HETATM 5623 HW SOL C1808 44.867 40.638 41.512 0.00 0.00 H +HETATM 5624 OW SOL C1809 28.266 22.164 56.305 0.00 0.00 O +HETATM 5625 HW SOL C1809 29.214 22.195 56.590 0.00 0.00 H +HETATM 5626 HW SOL C1809 28.104 21.212 56.085 0.00 0.00 H +HETATM 5627 OW SOL C1810 16.239 7.468 9.713 0.00 0.00 O +HETATM 5628 HW SOL C1810 16.026 8.090 8.974 0.00 0.00 H +HETATM 5629 HW SOL C1810 16.835 7.987 10.310 0.00 0.00 H +HETATM 5630 OW SOL C1811 38.253 12.574 58.691 0.00 0.00 O +HETATM 5631 HW SOL C1811 39.120 12.427 59.146 0.00 0.00 H +HETATM 5632 HW SOL C1811 38.007 11.684 58.333 0.00 0.00 H +HETATM 5633 OW SOL C1812 45.877 6.376 28.138 0.00 0.00 O +HETATM 5634 HW SOL C1812 45.820 7.362 28.064 0.00 0.00 H +HETATM 5635 HW SOL C1812 46.832 6.170 27.974 0.00 0.00 H +HETATM 5636 OW SOL C1813 2.480 57.838 7.486 0.00 0.00 O +HETATM 5637 HW SOL C1813 3.168 58.550 7.508 0.00 0.00 H +HETATM 5638 HW SOL C1813 1.618 58.326 7.494 0.00 0.00 H +HETATM 5639 OW SOL C1814 56.016 54.572 22.489 0.00 0.00 O +HETATM 5640 HW SOL C1814 55.492 53.734 22.429 0.00 0.00 H +HETATM 5641 HW SOL C1814 55.341 55.292 22.410 0.00 0.00 H +HETATM 5642 OW SOL C1815 44.306 20.974 26.743 0.00 0.00 O +HETATM 5643 HW SOL C1815 44.832 20.507 27.440 0.00 0.00 H +HETATM 5644 HW SOL C1815 44.504 21.934 26.885 0.00 0.00 H +HETATM 5645 OW SOL C1816 27.139 54.619 26.718 0.00 0.00 O +HETATM 5646 HW SOL C1816 27.261 55.532 27.082 0.00 0.00 H +HETATM 5647 HW SOL C1816 27.871 54.514 26.060 0.00 0.00 H +HETATM 5648 OW SOL C1817 23.359 37.320 58.951 0.00 0.00 O +HETATM 5649 HW SOL C1817 23.666 38.001 59.600 0.00 0.00 H +HETATM 5650 HW SOL C1817 23.636 37.674 58.068 0.00 0.00 H +HETATM 5651 OW SOL C1818 34.861 31.129 49.205 0.00 0.00 O +HETATM 5652 HW SOL C1818 34.451 32.022 49.083 0.00 0.00 H +HETATM 5653 HW SOL C1818 35.507 31.251 49.945 0.00 0.00 H +HETATM 5654 OW SOL C1819 58.751 35.600 54.310 0.00 0.00 O +HETATM 5655 HW SOL C1819 59.462 36.142 54.736 0.00 0.00 H +HETATM 5656 HW SOL C1819 57.947 35.767 54.864 0.00 0.00 H +HETATM 5657 OW SOL C1820 50.747 5.634 34.366 0.00 0.00 O +HETATM 5658 HW SOL C1820 51.069 5.556 35.299 0.00 0.00 H +HETATM 5659 HW SOL C1820 50.899 6.583 34.129 0.00 0.00 H +HETATM 5660 OW SOL C1821 42.832 37.397 43.225 0.00 0.00 O +HETATM 5661 HW SOL C1821 42.029 36.897 42.933 0.00 0.00 H +HETATM 5662 HW SOL C1821 42.557 37.838 44.068 0.00 0.00 H +HETATM 5663 OW SOL C1822 27.471 40.189 13.573 0.00 0.00 O +HETATM 5664 HW SOL C1822 26.488 40.300 13.539 0.00 0.00 H +HETATM 5665 HW SOL C1822 27.823 41.113 13.634 0.00 0.00 H +HETATM 5666 OW SOL C1823 12.464 23.564 30.739 0.00 0.00 O +HETATM 5667 HW SOL C1823 13.021 23.811 29.959 0.00 0.00 H +HETATM 5668 HW SOL C1823 11.532 23.668 30.423 0.00 0.00 H +HETATM 5669 OW SOL C1824 33.494 9.237 19.082 0.00 0.00 O +HETATM 5670 HW SOL C1824 32.647 8.774 19.301 0.00 0.00 H +HETATM 5671 HW SOL C1824 34.174 8.517 19.069 0.00 0.00 H +HETATM 5672 OW SOL C1825 1.587 52.372 57.262 0.00 0.00 O +HETATM 5673 HW SOL C1825 1.774 53.337 57.376 0.00 0.00 H +HETATM 5674 HW SOL C1825 2.459 51.929 57.419 0.00 0.00 H +HETATM 5675 OW SOL C1826 30.857 5.821 18.165 0.00 0.00 O +HETATM 5676 HW SOL C1826 30.719 5.093 17.509 0.00 0.00 H +HETATM 5677 HW SOL C1826 29.944 6.065 18.461 0.00 0.00 H +HETATM 5678 OW SOL C1827 33.454 4.786 53.505 0.00 0.00 O +HETATM 5679 HW SOL C1827 33.208 4.434 52.613 0.00 0.00 H +HETATM 5680 HW SOL C1827 32.591 5.054 53.912 0.00 0.00 H +HETATM 5681 OW SOL C1828 55.468 29.421 25.774 0.00 0.00 O +HETATM 5682 HW SOL C1828 55.452 28.639 25.167 0.00 0.00 H +HETATM 5683 HW SOL C1828 55.663 29.039 26.666 0.00 0.00 H +HETATM 5684 OW SOL C1829 52.644 31.673 48.061 0.00 0.00 O +HETATM 5685 HW SOL C1829 52.262 32.276 48.747 0.00 0.00 H +HETATM 5686 HW SOL C1829 52.120 31.864 47.243 0.00 0.00 H +HETATM 5687 OW SOL C1830 6.533 25.579 33.383 0.00 0.00 O +HETATM 5688 HW SOL C1830 6.975 25.188 34.179 0.00 0.00 H +HETATM 5689 HW SOL C1830 7.207 25.502 32.662 0.00 0.00 H +HETATM 5690 OW SOL C1831 44.156 58.094 27.034 0.00 0.00 O +HETATM 5691 HW SOL C1831 43.871 57.274 27.510 0.00 0.00 H +HETATM 5692 HW SOL C1831 44.330 58.751 27.754 0.00 0.00 H +HETATM 5693 OW SOL C1832 28.815 47.350 1.934 0.00 0.00 O +HETATM 5694 HW SOL C1832 28.076 47.083 2.537 0.00 0.00 H +HETATM 5695 HW SOL C1832 29.165 48.189 2.328 0.00 0.00 H +HETATM 5696 OW SOL C1833 56.974 16.357 55.195 0.00 0.00 O +HETATM 5697 HW SOL C1833 56.007 16.145 55.229 0.00 0.00 H +HETATM 5698 HW SOL C1833 57.382 15.765 55.876 0.00 0.00 H +HETATM 5699 OW SOL C1834 41.038 33.925 24.743 0.00 0.00 O +HETATM 5700 HW SOL C1834 40.906 33.971 25.723 0.00 0.00 H +HETATM 5701 HW SOL C1834 40.122 33.937 24.368 0.00 0.00 H +HETATM 5702 OW SOL C1835 4.104 47.863 13.405 0.00 0.00 O +HETATM 5703 HW SOL C1835 4.924 47.363 13.644 0.00 0.00 H +HETATM 5704 HW SOL C1835 4.288 48.793 13.690 0.00 0.00 H +HETATM 5705 OW SOL C1836 29.737 19.221 17.667 0.00 0.00 O +HETATM 5706 HW SOL C1836 29.880 18.600 18.424 0.00 0.00 H +HETATM 5707 HW SOL C1836 29.535 18.632 16.897 0.00 0.00 H +HETATM 5708 OW SOL C1837 43.196 22.669 12.457 0.00 0.00 O +HETATM 5709 HW SOL C1837 44.144 22.415 12.587 0.00 0.00 H +HETATM 5710 HW SOL C1837 42.952 23.151 13.288 0.00 0.00 H +HETATM 5711 OW SOL C1838 34.641 27.112 55.641 0.00 0.00 O +HETATM 5712 HW SOL C1838 33.903 26.452 55.669 0.00 0.00 H +HETATM 5713 HW SOL C1838 34.468 27.643 54.823 0.00 0.00 H +HETATM 5714 OW SOL C1839 7.166 48.255 34.159 0.00 0.00 O +HETATM 5715 HW SOL C1839 7.342 47.763 33.318 0.00 0.00 H +HETATM 5716 HW SOL C1839 7.136 47.552 34.856 0.00 0.00 H +HETATM 5717 OW SOL C1840 49.834 32.827 23.465 0.00 0.00 O +HETATM 5718 HW SOL C1840 48.993 32.358 23.692 0.00 0.00 H +HETATM 5719 HW SOL C1840 49.654 33.777 23.680 0.00 0.00 H +HETATM 5720 OW SOL C1841 29.851 46.385 39.098 0.00 0.00 O +HETATM 5721 HW SOL C1841 29.647 47.133 38.482 0.00 0.00 H +HETATM 5722 HW SOL C1841 30.523 46.756 39.725 0.00 0.00 H +HETATM 5723 OW SOL C1842 58.898 58.181 30.894 0.00 0.00 O +HETATM 5724 HW SOL C1842 59.632 57.832 31.459 0.00 0.00 H +HETATM 5725 HW SOL C1842 58.814 57.520 30.161 0.00 0.00 H +HETATM 5726 OW SOL C1843 58.226 3.573 4.744 0.00 0.00 O +HETATM 5727 HW SOL C1843 58.101 2.613 4.539 0.00 0.00 H +HETATM 5728 HW SOL C1843 59.206 3.685 4.828 0.00 0.00 H +HETATM 5729 OW SOL C1844 52.534 15.691 37.266 0.00 0.00 O +HETATM 5730 HW SOL C1844 52.224 16.613 37.081 0.00 0.00 H +HETATM 5731 HW SOL C1844 53.470 15.801 37.573 0.00 0.00 H +HETATM 5732 OW SOL C1845 15.768 19.524 23.985 0.00 0.00 O +HETATM 5733 HW SOL C1845 15.505 18.583 24.144 0.00 0.00 H +HETATM 5734 HW SOL C1845 14.915 20.027 24.008 0.00 0.00 H +HETATM 5735 OW SOL C1846 18.125 8.609 31.185 0.00 0.00 O +HETATM 5736 HW SOL C1846 18.985 8.369 30.758 0.00 0.00 H +HETATM 5737 HW SOL C1846 17.795 9.382 30.661 0.00 0.00 H +HETATM 5738 OW SOL C1847 9.447 54.447 12.351 0.00 0.00 O +HETATM 5739 HW SOL C1847 8.915 53.930 11.696 0.00 0.00 H +HETATM 5740 HW SOL C1847 8.773 54.877 12.935 0.00 0.00 H +HETATM 5741 OW SOL C1848 18.959 38.543 31.075 0.00 0.00 O +HETATM 5742 HW SOL C1848 19.835 38.829 31.436 0.00 0.00 H +HETATM 5743 HW SOL C1848 18.303 39.139 31.518 0.00 0.00 H +HETATM 5744 OW SOL C1849 15.343 29.571 27.219 0.00 0.00 O +HETATM 5745 HW SOL C1849 15.819 29.675 26.357 0.00 0.00 H +HETATM 5746 HW SOL C1849 14.738 30.353 27.264 0.00 0.00 H +HETATM 5747 OW SOL C1850 54.255 59.244 57.314 0.00 0.00 O +HETATM 5748 HW SOL C1850 54.954 59.756 57.793 0.00 0.00 H +HETATM 5749 HW SOL C1850 54.409 58.302 57.581 0.00 0.00 H +HETATM 5750 OW SOL C1851 34.904 48.933 51.298 0.00 0.00 O +HETATM 5751 HW SOL C1851 35.857 48.797 51.525 0.00 0.00 H +HETATM 5752 HW SOL C1851 34.695 49.840 51.637 0.00 0.00 H +HETATM 5753 OW SOL C1852 58.153 51.054 47.072 0.00 0.00 O +HETATM 5754 HW SOL C1852 58.871 51.732 47.002 0.00 0.00 H +HETATM 5755 HW SOL C1852 58.632 50.189 47.121 0.00 0.00 H +HETATM 5756 OW SOL C1853 9.990 25.556 40.100 0.00 0.00 O +HETATM 5757 HW SOL C1853 10.744 24.921 40.194 0.00 0.00 H +HETATM 5758 HW SOL C1853 10.093 26.179 40.863 0.00 0.00 H +HETATM 5759 OW SOL C1854 50.317 19.891 55.913 0.00 0.00 O +HETATM 5760 HW SOL C1854 49.776 19.062 55.885 0.00 0.00 H +HETATM 5761 HW SOL C1854 51.014 19.710 56.593 0.00 0.00 H +HETATM 5762 OW SOL C1855 59.787 22.495 8.689 0.00 0.00 O +HETATM 5763 HW SOL C1855 59.967 23.003 7.859 0.00 0.00 H +HETATM 5764 HW SOL C1855 60.088 23.094 9.417 0.00 0.00 H +HETATM 5765 OW SOL C1856 55.654 53.318 44.993 0.00 0.00 O +HETATM 5766 HW SOL C1856 56.052 53.624 45.847 0.00 0.00 H +HETATM 5767 HW SOL C1856 54.699 53.573 45.059 0.00 0.00 H +HETATM 5768 OW SOL C1857 46.706 40.172 31.933 0.00 0.00 O +HETATM 5769 HW SOL C1857 46.657 39.221 32.203 0.00 0.00 H +HETATM 5770 HW SOL C1857 47.674 40.380 31.930 0.00 0.00 H +HETATM 5771 OW SOL C1858 54.116 50.523 45.381 0.00 0.00 O +HETATM 5772 HW SOL C1858 53.187 50.285 45.629 0.00 0.00 H +HETATM 5773 HW SOL C1858 54.642 49.708 45.577 0.00 0.00 H +HETATM 5774 OW SOL C1859 8.226 58.615 49.855 0.00 0.00 O +HETATM 5775 HW SOL C1859 8.239 59.605 49.855 0.00 0.00 H +HETATM 5776 HW SOL C1859 9.181 58.354 49.853 0.00 0.00 H +HETATM 5777 OW SOL C1860 6.717 44.917 6.525 0.00 0.00 O +HETATM 5778 HW SOL C1860 7.392 45.627 6.671 0.00 0.00 H +HETATM 5779 HW SOL C1860 5.971 45.376 6.063 0.00 0.00 H +HETATM 5780 OW SOL C1861 13.743 10.836 9.112 0.00 0.00 O +HETATM 5781 HW SOL C1861 13.577 9.865 9.207 0.00 0.00 H +HETATM 5782 HW SOL C1861 14.355 11.058 9.859 0.00 0.00 H +HETATM 5783 OW SOL C1862 9.337 37.879 21.967 0.00 0.00 O +HETATM 5784 HW SOL C1862 8.538 38.409 22.210 0.00 0.00 H +HETATM 5785 HW SOL C1862 8.976 37.004 21.674 0.00 0.00 H +HETATM 5786 OW SOL C1863 32.170 29.687 2.499 0.00 0.00 O +HETATM 5787 HW SOL C1863 33.146 29.525 2.460 0.00 0.00 H +HETATM 5788 HW SOL C1863 32.086 30.640 2.754 0.00 0.00 H +HETATM 5789 OW SOL C1864 25.773 25.678 22.854 0.00 0.00 O +HETATM 5790 HW SOL C1864 26.408 26.418 23.027 0.00 0.00 H +HETATM 5791 HW SOL C1864 25.445 25.418 23.752 0.00 0.00 H +HETATM 5792 OW SOL C1865 41.969 33.625 11.018 0.00 0.00 O +HETATM 5793 HW SOL C1865 42.376 34.133 10.272 0.00 0.00 H +HETATM 5794 HW SOL C1865 41.390 32.954 10.574 0.00 0.00 H +HETATM 5795 OW SOL C1866 45.788 29.286 30.031 0.00 0.00 O +HETATM 5796 HW SOL C1866 46.756 29.104 30.125 0.00 0.00 H +HETATM 5797 HW SOL C1866 45.694 30.248 30.245 0.00 0.00 H +HETATM 5798 OW SOL C1867 35.848 55.685 37.388 0.00 0.00 O +HETATM 5799 HW SOL C1867 36.724 56.144 37.340 0.00 0.00 H +HETATM 5800 HW SOL C1867 35.183 56.420 37.414 0.00 0.00 H +HETATM 5801 OW SOL C1868 38.493 23.353 40.097 0.00 0.00 O +HETATM 5802 HW SOL C1868 37.699 23.574 39.549 0.00 0.00 H +HETATM 5803 HW SOL C1868 38.768 24.217 40.496 0.00 0.00 H +HETATM 5804 OW SOL C1869 11.671 50.699 46.517 0.00 0.00 O +HETATM 5805 HW SOL C1869 11.756 51.238 45.691 0.00 0.00 H +HETATM 5806 HW SOL C1869 10.996 50.008 46.295 0.00 0.00 H +HETATM 5807 OW SOL C1870 4.071 55.598 28.245 0.00 0.00 O +HETATM 5808 HW SOL C1870 3.122 55.754 28.481 0.00 0.00 H +HETATM 5809 HW SOL C1870 4.226 54.643 28.461 0.00 0.00 H +HETATM 5810 OW SOL C1871 18.036 22.818 21.748 0.00 0.00 O +HETATM 5811 HW SOL C1871 18.687 22.483 21.082 0.00 0.00 H +HETATM 5812 HW SOL C1871 17.726 23.683 21.377 0.00 0.00 H +HETATM 5813 OW SOL C1872 33.762 26.030 16.805 0.00 0.00 O +HETATM 5814 HW SOL C1872 34.601 25.533 16.978 0.00 0.00 H +HETATM 5815 HW SOL C1872 33.178 25.377 16.344 0.00 0.00 H +HETATM 5816 OW SOL C1873 15.705 47.780 34.605 0.00 0.00 O +HETATM 5817 HW SOL C1873 15.511 46.825 34.780 0.00 0.00 H +HETATM 5818 HW SOL C1873 16.694 47.836 34.598 0.00 0.00 H +HETATM 5819 OW SOL C1874 0.496 40.824 10.601 0.00 0.00 O +HETATM 5820 HW SOL C1874 0.200 40.110 9.983 0.00 0.00 H +HETATM 5821 HW SOL C1874 1.419 41.038 10.311 0.00 0.00 H +HETATM 5822 OW SOL C1875 16.731 21.940 51.626 0.00 0.00 O +HETATM 5823 HW SOL C1875 15.999 21.406 52.023 0.00 0.00 H +HETATM 5824 HW SOL C1875 17.141 22.411 52.395 0.00 0.00 H +HETATM 5825 OW SOL C1876 23.361 30.524 2.778 0.00 0.00 O +HETATM 5826 HW SOL C1876 23.268 31.508 2.821 0.00 0.00 H +HETATM 5827 HW SOL C1876 22.490 30.207 2.428 0.00 0.00 H +HETATM 5828 OW SOL C1877 16.578 15.253 37.903 0.00 0.00 O +HETATM 5829 HW SOL C1877 16.793 14.304 38.088 0.00 0.00 H +HETATM 5830 HW SOL C1877 15.761 15.430 38.433 0.00 0.00 H +HETATM 5831 OW SOL C1878 48.944 14.828 27.914 0.00 0.00 O +HETATM 5832 HW SOL C1878 49.171 15.477 27.202 0.00 0.00 H +HETATM 5833 HW SOL C1878 48.185 14.309 27.544 0.00 0.00 H +HETATM 5834 OW SOL C1879 1.746 20.283 1.425 0.00 0.00 O +HETATM 5835 HW SOL C1879 2.322 21.086 1.492 0.00 0.00 H +HETATM 5836 HW SOL C1879 0.833 20.616 1.617 0.00 0.00 H +HETATM 5837 OW SOL C1880 13.374 29.443 34.923 0.00 0.00 O +HETATM 5838 HW SOL C1880 13.607 30.376 35.161 0.00 0.00 H +HETATM 5839 HW SOL C1880 13.625 29.361 33.968 0.00 0.00 H +HETATM 5840 OW SOL C1881 11.892 16.486 17.789 0.00 0.00 O +HETATM 5841 HW SOL C1881 11.613 17.274 18.319 0.00 0.00 H +HETATM 5842 HW SOL C1881 11.045 16.027 17.560 0.00 0.00 H +HETATM 5843 OW SOL C1882 39.916 43.562 39.493 0.00 0.00 O +HETATM 5844 HW SOL C1882 39.350 43.258 40.246 0.00 0.00 H +HETATM 5845 HW SOL C1882 40.826 43.246 39.722 0.00 0.00 H +HETATM 5846 OW SOL C1883 47.861 53.451 19.763 0.00 0.00 O +HETATM 5847 HW SOL C1883 48.312 54.260 20.113 0.00 0.00 H +HETATM 5848 HW SOL C1883 47.059 53.348 20.336 0.00 0.00 H +HETATM 5849 OW SOL C1884 39.421 23.502 5.823 0.00 0.00 O +HETATM 5850 HW SOL C1884 39.872 22.893 5.186 0.00 0.00 H +HETATM 5851 HW SOL C1884 38.941 22.900 6.446 0.00 0.00 H +HETATM 5852 OW SOL C1885 33.923 0.637 7.177 0.00 0.00 O +HETATM 5853 HW SOL C1885 34.391 1.113 7.909 0.00 0.00 H +HETATM 5854 HW SOL C1885 34.264 1.059 6.349 0.00 0.00 H +HETATM 5855 OW SOL C1886 49.540 43.779 48.578 0.00 0.00 O +HETATM 5856 HW SOL C1886 49.636 42.793 48.587 0.00 0.00 H +HETATM 5857 HW SOL C1886 50.451 44.119 48.762 0.00 0.00 H +HETATM 5858 OW SOL C1887 18.193 28.092 1.465 0.00 0.00 O +HETATM 5859 HW SOL C1887 18.011 27.125 1.571 0.00 0.00 H +HETATM 5860 HW SOL C1887 18.098 28.257 0.493 0.00 0.00 H +HETATM 5861 OW SOL C1888 23.963 17.929 2.709 0.00 0.00 O +HETATM 5862 HW SOL C1888 24.929 18.093 2.852 0.00 0.00 H +HETATM 5863 HW SOL C1888 23.904 17.593 1.779 0.00 0.00 H +HETATM 5864 OW SOL C1889 9.733 44.481 12.437 0.00 0.00 O +HETATM 5865 HW SOL C1889 8.893 44.913 12.735 0.00 0.00 H +HETATM 5866 HW SOL C1889 10.442 45.134 12.664 0.00 0.00 H +HETATM 5867 OW SOL C1890 50.862 11.745 25.945 0.00 0.00 O +HETATM 5868 HW SOL C1890 51.780 12.082 25.789 0.00 0.00 H +HETATM 5869 HW SOL C1890 50.285 12.546 25.859 0.00 0.00 H +HETATM 5870 OW SOL C1891 56.659 27.362 14.830 0.00 0.00 O +HETATM 5871 HW SOL C1891 57.484 27.003 14.416 0.00 0.00 H +HETATM 5872 HW SOL C1891 56.597 26.898 15.703 0.00 0.00 H +HETATM 5873 OW SOL C1892 38.000 2.346 26.255 0.00 0.00 O +HETATM 5874 HW SOL C1892 38.127 2.582 25.302 0.00 0.00 H +HETATM 5875 HW SOL C1892 38.143 1.366 26.289 0.00 0.00 H +HETATM 5876 OW SOL C1893 56.915 44.484 23.216 0.00 0.00 O +HETATM 5877 HW SOL C1893 57.735 44.589 23.760 0.00 0.00 H +HETATM 5878 HW SOL C1893 56.228 45.010 23.698 0.00 0.00 H +HETATM 5879 OW SOL C1894 50.163 41.450 32.144 0.00 0.00 O +HETATM 5880 HW SOL C1894 50.021 40.481 32.291 0.00 0.00 H +HETATM 5881 HW SOL C1894 50.124 41.560 31.160 0.00 0.00 H +HETATM 5882 OW SOL C1895 18.629 38.332 51.825 0.00 0.00 O +HETATM 5883 HW SOL C1895 19.131 37.583 52.234 0.00 0.00 H +HETATM 5884 HW SOL C1895 18.692 39.065 52.488 0.00 0.00 H +HETATM 5885 OW SOL C1896 20.820 43.396 55.170 0.00 0.00 O +HETATM 5886 HW SOL C1896 20.774 43.560 54.195 0.00 0.00 H +HETATM 5887 HW SOL C1896 19.919 43.062 55.409 0.00 0.00 H +HETATM 5888 OW SOL C1897 28.934 42.912 8.302 0.00 0.00 O +HETATM 5889 HW SOL C1897 29.724 43.468 8.519 0.00 0.00 H +HETATM 5890 HW SOL C1897 28.197 43.563 8.188 0.00 0.00 H +HETATM 5891 OW SOL C1898 5.992 9.508 54.925 0.00 0.00 O +HETATM 5892 HW SOL C1898 5.289 9.640 54.241 0.00 0.00 H +HETATM 5893 HW SOL C1898 6.446 8.670 54.656 0.00 0.00 H +HETATM 5894 OW SOL C1899 38.989 2.836 59.166 0.00 0.00 O +HETATM 5895 HW SOL C1899 39.040 3.487 58.422 0.00 0.00 H +HETATM 5896 HW SOL C1899 38.824 3.390 59.971 0.00 0.00 H +HETATM 5897 OW SOL C1900 9.344 12.299 29.926 0.00 0.00 O +HETATM 5898 HW SOL C1900 8.853 12.332 30.786 0.00 0.00 H +HETATM 5899 HW SOL C1900 10.041 11.609 30.065 0.00 0.00 H +HETATM 5900 OW SOL C1901 41.310 55.324 18.775 0.00 0.00 O +HETATM 5901 HW SOL C1901 42.096 54.739 18.631 0.00 0.00 H +HETATM 5902 HW SOL C1901 41.688 56.160 19.148 0.00 0.00 H +HETATM 5903 OW SOL C1902 41.405 40.802 40.885 0.00 0.00 O +HETATM 5904 HW SOL C1902 42.030 41.523 41.148 0.00 0.00 H +HETATM 5905 HW SOL C1902 41.954 40.185 40.339 0.00 0.00 H +HETATM 5906 OW SOL C1903 8.304 30.821 9.881 0.00 0.00 O +HETATM 5907 HW SOL C1903 8.320 29.923 9.464 0.00 0.00 H +HETATM 5908 HW SOL C1903 8.985 30.774 10.598 0.00 0.00 H +HETATM 5909 OW SOL C1904 23.961 17.916 55.147 0.00 0.00 O +HETATM 5910 HW SOL C1904 23.445 18.610 55.628 0.00 0.00 H +HETATM 5911 HW SOL C1904 23.272 17.314 54.766 0.00 0.00 H +HETATM 5912 OW SOL C1905 36.725 29.629 18.318 0.00 0.00 O +HETATM 5913 HW SOL C1905 35.844 29.771 17.890 0.00 0.00 H +HETATM 5914 HW SOL C1905 36.804 28.645 18.404 0.00 0.00 H +HETATM 5915 OW SOL C1906 40.129 51.708 31.368 0.00 0.00 O +HETATM 5916 HW SOL C1906 39.902 50.805 31.705 0.00 0.00 H +HETATM 5917 HW SOL C1906 39.293 52.229 31.472 0.00 0.00 H +HETATM 5918 OW SOL C1907 8.038 45.121 24.300 0.00 0.00 O +HETATM 5919 HW SOL C1907 8.546 44.272 24.277 0.00 0.00 H +HETATM 5920 HW SOL C1907 8.039 45.438 23.362 0.00 0.00 H +HETATM 5921 OW SOL C1908 16.742 44.903 47.427 0.00 0.00 O +HETATM 5922 HW SOL C1908 15.863 44.447 47.439 0.00 0.00 H +HETATM 5923 HW SOL C1908 17.403 44.166 47.392 0.00 0.00 H +HETATM 5924 OW SOL C1909 37.219 14.265 42.548 0.00 0.00 O +HETATM 5925 HW SOL C1909 37.712 15.124 42.537 0.00 0.00 H +HETATM 5926 HW SOL C1909 36.264 14.527 42.545 0.00 0.00 H +HETATM 5927 OW SOL C1910 29.542 43.548 59.518 0.00 0.00 O +HETATM 5928 HW SOL C1910 29.889 42.626 59.612 0.00 0.00 H +HETATM 5929 HW SOL C1910 30.328 44.080 59.233 0.00 0.00 H +HETATM 5930 OW SOL C1911 0.584 52.538 53.971 0.00 0.00 O +HETATM 5931 HW SOL C1911 1.379 52.115 53.559 0.00 0.00 H +HETATM 5932 HW SOL C1911 0.103 51.790 54.407 0.00 0.00 H +HETATM 5933 OW SOL C1912 36.701 31.783 46.390 0.00 0.00 O +HETATM 5934 HW SOL C1912 36.690 32.759 46.557 0.00 0.00 H +HETATM 5935 HW SOL C1912 35.749 31.513 46.434 0.00 0.00 H +HETATM 5936 OW SOL C1913 5.650 49.872 17.101 0.00 0.00 O +HETATM 5937 HW SOL C1913 5.637 48.975 17.521 0.00 0.00 H +HETATM 5938 HW SOL C1913 6.582 49.984 16.785 0.00 0.00 H +HETATM 5939 OW SOL C1914 40.418 54.714 44.663 0.00 0.00 O +HETATM 5940 HW SOL C1914 41.362 54.632 44.378 0.00 0.00 H +HETATM 5941 HW SOL C1914 40.241 53.888 45.180 0.00 0.00 H +HETATM 5942 OW SOL C1915 26.629 50.574 18.068 0.00 0.00 O +HETATM 5943 HW SOL C1915 27.239 51.353 18.026 0.00 0.00 H +HETATM 5944 HW SOL C1915 26.553 50.267 17.130 0.00 0.00 H +HETATM 5945 OW SOL C1916 41.673 20.859 19.996 0.00 0.00 O +HETATM 5946 HW SOL C1916 42.391 20.179 20.051 0.00 0.00 H +HETATM 5947 HW SOL C1916 42.003 21.515 19.331 0.00 0.00 H +HETATM 5948 OW SOL C1917 13.067 4.119 28.475 0.00 0.00 O +HETATM 5949 HW SOL C1917 13.115 5.049 28.142 0.00 0.00 H +HETATM 5950 HW SOL C1917 13.476 4.156 29.376 0.00 0.00 H +HETATM 5951 OW SOL C1918 5.280 0.024 39.211 0.00 0.00 O +HETATM 5952 HW SOL C1918 6.246 0.240 39.228 0.00 0.00 H +HETATM 5953 HW SOL C1918 4.884 0.600 39.913 0.00 0.00 H +HETATM 5954 OW SOL C1919 14.938 11.632 42.205 0.00 0.00 O +HETATM 5955 HW SOL C1919 14.216 11.801 42.861 0.00 0.00 H +HETATM 5956 HW SOL C1919 15.599 12.351 42.371 0.00 0.00 H +HETATM 5957 OW SOL C1920 21.796 5.843 31.645 0.00 0.00 O +HETATM 5958 HW SOL C1920 21.694 5.325 30.808 0.00 0.00 H +HETATM 5959 HW SOL C1920 22.773 5.862 31.808 0.00 0.00 H +HETATM 5960 OW SOL C1921 1.080 31.453 0.181 0.00 0.00 O +HETATM 5961 HW SOL C1921 2.017 31.182 0.348 0.00 0.00 H +HETATM 5962 HW SOL C1921 0.603 30.602 0.008 0.00 0.00 H +HETATM 5963 OW SOL C1922 2.183 10.828 15.266 0.00 0.00 O +HETATM 5964 HW SOL C1922 2.709 10.601 14.458 0.00 0.00 H +HETATM 5965 HW SOL C1922 2.863 11.020 15.959 0.00 0.00 H +HETATM 5966 OW SOL C1923 17.678 8.634 0.918 0.00 0.00 O +HETATM 5967 HW SOL C1923 18.490 8.082 1.042 0.00 0.00 H +HETATM 5968 HW SOL C1923 16.962 7.980 0.717 0.00 0.00 H +HETATM 5969 OW SOL C1924 6.377 19.766 9.453 0.00 0.00 O +HETATM 5970 HW SOL C1924 6.369 20.682 9.829 0.00 0.00 H +HETATM 5971 HW SOL C1924 5.508 19.378 9.726 0.00 0.00 H +HETATM 5972 OW SOL C1925 56.313 55.566 31.677 0.00 0.00 O +HETATM 5973 HW SOL C1925 56.156 56.416 32.160 0.00 0.00 H +HETATM 5974 HW SOL C1925 55.709 55.612 30.893 0.00 0.00 H +HETATM 5975 OW SOL C1926 42.035 57.825 13.056 0.00 0.00 O +HETATM 5976 HW SOL C1926 42.535 57.628 12.224 0.00 0.00 H +HETATM 5977 HW SOL C1926 41.766 58.774 12.964 0.00 0.00 H +HETATM 5978 OW SOL C1927 51.417 46.212 21.437 0.00 0.00 O +HETATM 5979 HW SOL C1927 51.940 47.033 21.613 0.00 0.00 H +HETATM 5980 HW SOL C1927 51.235 46.236 20.464 0.00 0.00 H +HETATM 5981 OW SOL C1928 56.787 8.575 33.648 0.00 0.00 O +HETATM 5982 HW SOL C1928 55.999 9.046 33.277 0.00 0.00 H +HETATM 5983 HW SOL C1928 56.985 7.864 32.987 0.00 0.00 H +HETATM 5984 OW SOL C1929 10.261 22.399 55.567 0.00 0.00 O +HETATM 5985 HW SOL C1929 9.644 21.628 55.504 0.00 0.00 H +HETATM 5986 HW SOL C1929 10.401 22.683 54.629 0.00 0.00 H +HETATM 5987 OW SOL C1930 35.529 33.595 1.260 0.00 0.00 O +HETATM 5988 HW SOL C1930 34.586 33.302 1.193 0.00 0.00 H +HETATM 5989 HW SOL C1930 36.056 32.763 1.148 0.00 0.00 H +HETATM 5990 OW SOL C1931 40.711 31.927 42.717 0.00 0.00 O +HETATM 5991 HW SOL C1931 40.693 31.201 42.044 0.00 0.00 H +HETATM 5992 HW SOL C1931 41.480 31.707 43.300 0.00 0.00 H +HETATM 5993 OW SOL C1932 39.514 38.954 11.422 0.00 0.00 O +HETATM 5994 HW SOL C1932 40.414 38.728 11.078 0.00 0.00 H +HETATM 5995 HW SOL C1932 38.986 38.125 11.301 0.00 0.00 H +HETATM 5996 OW SOL C1933 37.170 8.951 3.712 0.00 0.00 O +HETATM 5997 HW SOL C1933 36.281 8.529 3.819 0.00 0.00 H +HETATM 5998 HW SOL C1933 37.798 8.324 4.152 0.00 0.00 H +HETATM 5999 OW SOL C1934 23.311 18.515 58.262 0.00 0.00 O +HETATM 6000 HW SOL C1934 24.012 18.976 57.736 0.00 0.00 H +HETATM 6001 HW SOL C1934 22.494 19.053 58.113 0.00 0.00 H +HETATM 6002 OW SOL C1935 32.574 55.906 45.545 0.00 0.00 O +HETATM 6003 HW SOL C1935 31.996 56.279 44.834 0.00 0.00 H +HETATM 6004 HW SOL C1935 33.487 56.206 45.305 0.00 0.00 H +HETATM 6005 OW SOL C1936 14.937 19.593 29.059 0.00 0.00 O +HETATM 6006 HW SOL C1936 14.437 20.124 28.390 0.00 0.00 H +HETATM 6007 HW SOL C1936 14.499 18.704 29.049 0.00 0.00 H +HETATM 6008 OW SOL C1937 6.152 42.918 0.297 0.00 0.00 O +HETATM 6009 HW SOL C1937 5.388 43.534 0.166 0.00 0.00 H +HETATM 6010 HW SOL C1937 6.004 42.526 1.195 0.00 0.00 H +HETATM 6011 OW SOL C1938 47.506 43.799 12.250 0.00 0.00 O +HETATM 6012 HW SOL C1938 48.327 43.330 11.957 0.00 0.00 H +HETATM 6013 HW SOL C1938 47.010 43.978 11.412 0.00 0.00 H +HETATM 6014 OW SOL C1939 51.401 1.486 53.280 0.00 0.00 O +HETATM 6015 HW SOL C1939 51.585 0.563 52.972 0.00 0.00 H +HETATM 6016 HW SOL C1939 51.006 1.937 52.491 0.00 0.00 H +HETATM 6017 OW SOL C1940 6.310 18.044 50.527 0.00 0.00 O +HETATM 6018 HW SOL C1940 7.126 17.985 49.969 0.00 0.00 H +HETATM 6019 HW SOL C1940 6.639 18.324 51.418 0.00 0.00 H +HETATM 6020 OW SOL C1941 50.012 4.043 23.525 0.00 0.00 O +HETATM 6021 HW SOL C1941 49.191 4.480 23.184 0.00 0.00 H +HETATM 6022 HW SOL C1941 50.539 4.781 23.923 0.00 0.00 H +HETATM 6023 OW SOL C1942 28.999 58.412 13.854 0.00 0.00 O +HETATM 6024 HW SOL C1942 28.531 59.171 14.283 0.00 0.00 H +HETATM 6025 HW SOL C1942 29.861 58.793 13.549 0.00 0.00 H +HETATM 6026 OW SOL C1943 8.087 34.856 48.614 0.00 0.00 O +HETATM 6027 HW SOL C1943 7.149 35.090 48.827 0.00 0.00 H +HETATM 6028 HW SOL C1943 8.063 34.575 47.665 0.00 0.00 H +HETATM 6029 OW SOL C1944 30.947 4.223 10.181 0.00 0.00 O +HETATM 6030 HW SOL C1944 31.597 4.460 10.889 0.00 0.00 H +HETATM 6031 HW SOL C1944 31.507 3.950 9.410 0.00 0.00 H +HETATM 6032 OW SOL C1945 53.590 47.416 4.236 0.00 0.00 O +HETATM 6033 HW SOL C1945 54.452 46.944 4.357 0.00 0.00 H +HETATM 6034 HW SOL C1945 52.909 46.696 4.249 0.00 0.00 H +HETATM 6035 OW SOL C1946 46.606 33.119 19.671 0.00 0.00 O +HETATM 6036 HW SOL C1946 47.394 32.605 19.363 0.00 0.00 H +HETATM 6037 HW SOL C1946 46.420 32.768 20.579 0.00 0.00 H +HETATM 6038 OW SOL C1947 34.158 7.465 42.077 0.00 0.00 O +HETATM 6039 HW SOL C1947 33.770 6.890 41.370 0.00 0.00 H +HETATM 6040 HW SOL C1947 33.440 7.547 42.753 0.00 0.00 H +HETATM 6041 OW SOL C1948 0.087 58.298 19.302 0.00 0.00 O +HETATM 6042 HW SOL C1948 0.384 59.153 18.901 0.00 0.00 H +HETATM 6043 HW SOL C1948 0.816 57.660 19.095 0.00 0.00 H +HETATM 6044 OW SOL C1949 43.827 40.696 53.946 0.00 0.00 O +HETATM 6045 HW SOL C1949 43.561 41.292 53.202 0.00 0.00 H +HETATM 6046 HW SOL C1949 43.687 41.240 54.762 0.00 0.00 H +HETATM 6047 OW SOL C1950 30.809 29.464 0.724 0.00 0.00 O +HETATM 6048 HW SOL C1950 31.192 30.103 0.072 0.00 0.00 H +HETATM 6049 HW SOL C1950 30.535 28.685 0.178 0.00 0.00 H +HETATM 6050 OW SOL C1951 41.064 7.864 6.155 0.00 0.00 O +HETATM 6051 HW SOL C1951 41.595 7.921 6.988 0.00 0.00 H +HETATM 6052 HW SOL C1951 41.330 7.001 5.749 0.00 0.00 H +HETATM 6053 OW SOL C1952 37.378 27.639 50.424 0.00 0.00 O +HETATM 6054 HW SOL C1952 37.608 26.704 50.197 0.00 0.00 H +HETATM 6055 HW SOL C1952 38.237 28.129 50.357 0.00 0.00 H +HETATM 6056 OW SOL C1953 48.970 3.448 14.211 0.00 0.00 O +HETATM 6057 HW SOL C1953 48.409 4.212 13.923 0.00 0.00 H +HETATM 6058 HW SOL C1953 48.358 2.669 14.187 0.00 0.00 H +HETATM 6059 OW SOL C1954 13.975 22.701 49.825 0.00 0.00 O +HETATM 6060 HW SOL C1954 14.080 23.635 49.515 0.00 0.00 H +HETATM 6061 HW SOL C1954 14.246 22.724 50.778 0.00 0.00 H +HETATM 6062 OW SOL C1955 43.251 45.126 59.686 0.00 0.00 O +HETATM 6063 HW SOL C1955 43.518 45.645 58.885 0.00 0.00 H +HETATM 6064 HW SOL C1955 42.263 45.183 59.701 0.00 0.00 H +HETATM 6065 OW SOL C1956 9.716 11.938 46.343 0.00 0.00 O +HETATM 6066 HW SOL C1956 8.899 11.833 46.893 0.00 0.00 H +HETATM 6067 HW SOL C1956 9.919 12.907 46.381 0.00 0.00 H +HETATM 6068 OW SOL C1957 9.792 53.727 2.591 0.00 0.00 O +HETATM 6069 HW SOL C1957 9.348 53.061 2.008 0.00 0.00 H +HETATM 6070 HW SOL C1957 10.033 54.469 1.981 0.00 0.00 H +HETATM 6071 OW SOL C1958 6.502 27.831 49.719 0.00 0.00 O +HETATM 6072 HW SOL C1958 6.852 28.743 49.555 0.00 0.00 H +HETATM 6073 HW SOL C1958 5.988 27.611 48.901 0.00 0.00 H +HETATM 6074 OW SOL C1959 1.484 20.440 57.010 0.00 0.00 O +HETATM 6075 HW SOL C1959 2.414 20.657 56.751 0.00 0.00 H +HETATM 6076 HW SOL C1959 1.441 20.645 57.978 0.00 0.00 H +HETATM 6077 OW SOL C1960 27.929 8.241 14.987 0.00 0.00 O +HETATM 6078 HW SOL C1960 26.997 8.372 14.680 0.00 0.00 H +HETATM 6079 HW SOL C1960 27.840 7.850 15.892 0.00 0.00 H +HETATM 6080 OW SOL C1961 56.997 49.077 22.767 0.00 0.00 O +HETATM 6081 HW SOL C1961 56.178 48.522 22.777 0.00 0.00 H +HETATM 6082 HW SOL C1961 56.666 50.010 22.747 0.00 0.00 H +HETATM 6083 OW SOL C1962 40.793 52.264 9.523 0.00 0.00 O +HETATM 6084 HW SOL C1962 41.628 52.718 9.247 0.00 0.00 H +HETATM 6085 HW SOL C1962 40.583 52.649 10.411 0.00 0.00 H 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+HETATM 6103 HW SOL C1968 24.605 12.218 10.633 0.00 0.00 H +HETATM 6104 OW SOL C1969 57.265 0.510 48.918 0.00 0.00 O +HETATM 6105 HW SOL C1969 58.086 0.000 49.133 0.00 0.00 H +HETATM 6106 HW SOL C1969 57.586 1.288 48.395 0.00 0.00 H +HETATM 6107 OW SOL C1970 58.286 34.565 32.948 0.00 0.00 O +HETATM 6108 HW SOL C1970 58.646 33.754 32.508 0.00 0.00 H +HETATM 6109 HW SOL C1970 57.656 34.219 33.629 0.00 0.00 H +HETATM 6110 OW SOL C1971 44.801 16.294 4.918 0.00 0.00 O +HETATM 6111 HW SOL C1971 44.700 15.345 4.654 0.00 0.00 H +HETATM 6112 HW SOL C1971 43.890 16.576 5.184 0.00 0.00 H +HETATM 6113 OW SOL C1972 15.630 11.402 47.455 0.00 0.00 O +HETATM 6114 HW SOL C1972 14.998 11.286 46.702 0.00 0.00 H +HETATM 6115 HW SOL C1972 16.057 10.515 47.560 0.00 0.00 H +HETATM 6116 OW SOL C1973 24.457 15.360 34.519 0.00 0.00 O +HETATM 6117 HW SOL C1973 24.430 16.266 34.918 0.00 0.00 H +HETATM 6118 HW SOL C1973 23.556 14.987 34.689 0.00 0.00 H +HETATM 6119 OW SOL C1974 13.810 3.734 15.110 0.00 0.00 O +HETATM 6120 HW SOL C1974 13.568 2.821 15.407 0.00 0.00 H +HETATM 6121 HW SOL C1974 14.741 3.859 15.425 0.00 0.00 H +HETATM 6122 OW SOL C1975 41.069 2.415 10.425 0.00 0.00 O +HETATM 6123 HW SOL C1975 41.436 2.351 9.507 0.00 0.00 H +HETATM 6124 HW SOL C1975 40.128 2.694 10.298 0.00 0.00 H +HETATM 6125 OW SOL C1976 40.953 53.679 29.406 0.00 0.00 O +HETATM 6126 HW SOL C1976 41.464 52.939 28.991 0.00 0.00 H +HETATM 6127 HW SOL C1976 40.071 53.655 28.955 0.00 0.00 H +HETATM 6128 OW SOL C1977 20.813 36.393 1.280 0.00 0.00 O +HETATM 6129 HW SOL C1977 20.446 35.585 1.718 0.00 0.00 H +HETATM 6130 HW SOL C1977 20.039 37.005 1.198 0.00 0.00 H +HETATM 6131 OW SOL C1978 45.018 15.617 56.968 0.00 0.00 O +HETATM 6132 HW SOL C1978 44.113 15.257 57.142 0.00 0.00 H +HETATM 6133 HW SOL C1978 44.926 16.124 56.122 0.00 0.00 H +HETATM 6134 OW SOL C1979 31.492 15.524 53.310 0.00 0.00 O +HETATM 6135 HW SOL C1979 31.669 16.498 53.334 0.00 0.00 H +HETATM 6136 HW SOL C1979 31.790 15.239 52.410 0.00 0.00 H 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C1985 0.870 6.011 5.304 0.00 0.00 H +HETATM 6155 OW SOL C1986 42.153 3.384 59.483 0.00 0.00 O +HETATM 6156 HW SOL C1986 41.764 4.140 59.990 0.00 0.00 H +HETATM 6157 HW SOL C1986 41.372 2.842 59.205 0.00 0.00 H +HETATM 6158 OW SOL C1987 34.807 17.991 36.534 0.00 0.00 O +HETATM 6159 HW SOL C1987 35.504 18.687 36.436 0.00 0.00 H +HETATM 6160 HW SOL C1987 35.314 17.145 36.633 0.00 0.00 H +HETATM 6161 OW SOL C1988 21.010 37.725 54.645 0.00 0.00 O +HETATM 6162 HW SOL C1988 20.783 38.584 54.208 0.00 0.00 H +HETATM 6163 HW SOL C1988 20.149 37.238 54.696 0.00 0.00 H +HETATM 6164 OW SOL C1989 51.192 57.007 8.375 0.00 0.00 O +HETATM 6165 HW SOL C1989 51.389 57.708 7.704 0.00 0.00 H +HETATM 6166 HW SOL C1989 51.558 56.175 7.981 0.00 0.00 H +HETATM 6167 OW SOL C1990 20.659 40.193 33.783 0.00 0.00 O +HETATM 6168 HW SOL C1990 20.469 39.222 33.733 0.00 0.00 H +HETATM 6169 HW SOL C1990 20.816 40.365 34.746 0.00 0.00 H +HETATM 6170 OW SOL C1991 38.423 52.283 50.190 0.00 0.00 O +HETATM 6171 HW SOL C1991 38.254 53.030 49.563 0.00 0.00 H +HETATM 6172 HW SOL C1991 37.559 51.802 50.243 0.00 0.00 H +HETATM 6173 OW SOL C1992 21.683 53.408 6.734 0.00 0.00 O +HETATM 6174 HW SOL C1992 21.602 54.326 7.095 0.00 0.00 H +HETATM 6175 HW SOL C1992 21.086 53.399 5.943 0.00 0.00 H +HETATM 6176 OW SOL C1993 53.110 30.247 7.549 0.00 0.00 O +HETATM 6177 HW SOL C1993 53.504 29.748 8.308 0.00 0.00 H +HETATM 6178 HW SOL C1993 52.341 29.693 7.261 0.00 0.00 H +HETATM 6179 OW SOL C1994 48.470 20.806 12.158 0.00 0.00 O +HETATM 6180 HW SOL C1994 49.188 21.440 11.906 0.00 0.00 H +HETATM 6181 HW SOL C1994 48.938 20.085 12.651 0.00 0.00 H +HETATM 6182 OW SOL C1995 30.077 53.996 40.695 0.00 0.00 O +HETATM 6183 HW SOL C1995 30.495 54.234 41.561 0.00 0.00 H +HETATM 6184 HW SOL C1995 30.772 54.201 40.020 0.00 0.00 H +HETATM 6185 OW SOL C1996 15.748 47.343 15.805 0.00 0.00 O +HETATM 6186 HW SOL C1996 14.926 47.061 15.331 0.00 0.00 H +HETATM 6187 HW SOL C1996 16.260 46.505 15.935 0.00 0.00 H +HETATM 6188 OW SOL C1997 54.225 1.239 41.430 0.00 0.00 O +HETATM 6189 HW SOL C1997 54.817 1.873 41.908 0.00 0.00 H +HETATM 6190 HW SOL C1997 54.670 0.360 41.530 0.00 0.00 H +HETATM 6191 OW SOL C1998 5.852 39.560 11.732 0.00 0.00 O +HETATM 6192 HW SOL C1998 4.971 39.456 11.293 0.00 0.00 H +HETATM 6193 HW SOL C1998 5.647 39.986 12.602 0.00 0.00 H +HETATM 6194 OW SOL C1999 1.906 27.488 35.785 0.00 0.00 O +HETATM 6195 HW SOL C1999 2.513 28.243 35.989 0.00 0.00 H +HETATM 6196 HW SOL C1999 1.972 27.374 34.803 0.00 0.00 H +HETATM 6197 OW SOL C2000 44.693 10.151 51.354 0.00 0.00 O +HETATM 6198 HW SOL C2000 43.944 10.681 50.981 0.00 0.00 H +HETATM 6199 HW SOL C2000 44.280 9.290 51.618 0.00 0.00 H +HETATM 6200 OW SOL C2001 10.070 26.282 49.537 0.00 0.00 O +HETATM 6201 HW SOL C2001 10.095 25.328 49.274 0.00 0.00 H +HETATM 6202 HW SOL C2001 10.527 26.309 50.416 0.00 0.00 H +HETATM 6203 OW SOL C2002 21.098 32.589 54.550 0.00 0.00 O +HETATM 6204 HW SOL C2002 20.236 32.945 54.882 0.00 0.00 H +HETATM 6205 HW SOL C2002 21.172 32.938 53.626 0.00 0.00 H +HETATM 6206 OW SOL C2003 42.830 32.082 22.926 0.00 0.00 O +HETATM 6207 HW SOL C2003 42.981 31.134 23.167 0.00 0.00 H +HETATM 6208 HW SOL C2003 41.871 32.239 23.119 0.00 0.00 H +HETATM 6209 OW SOL C2004 21.225 34.002 34.996 0.00 0.00 O +HETATM 6210 HW SOL C2004 21.579 33.087 35.123 0.00 0.00 H +HETATM 6211 HW SOL C2004 22.027 34.584 35.015 0.00 0.00 H +HETATM 6212 OW SOL C2005 8.380 49.874 12.370 0.00 0.00 O +HETATM 6213 HW SOL C2005 7.694 49.713 11.674 0.00 0.00 H +HETATM 6214 HW SOL C2005 8.543 50.850 12.336 0.00 0.00 H +HETATM 6215 OW SOL C2006 32.756 38.173 9.651 0.00 0.00 O +HETATM 6216 HW SOL C2006 33.687 38.478 9.506 0.00 0.00 H +HETATM 6217 HW SOL C2006 32.416 38.750 10.380 0.00 0.00 H +HETATM 6218 OW SOL C2007 46.394 1.485 15.931 0.00 0.00 O +HETATM 6219 HW SOL C2007 45.762 2.246 15.953 0.00 0.00 H +HETATM 6220 HW SOL C2007 45.816 0.681 15.945 0.00 0.00 H +HETATM 6221 OW SOL C2008 50.624 33.149 50.962 0.00 0.00 O +HETATM 6222 HW SOL C2008 50.623 33.380 49.999 0.00 0.00 H +HETATM 6223 HW SOL C2008 49.671 32.992 51.180 0.00 0.00 H +HETATM 6224 OW SOL C2009 43.952 24.671 34.993 0.00 0.00 O +HETATM 6225 HW SOL C2009 43.025 24.720 35.339 0.00 0.00 H +HETATM 6226 HW SOL C2009 44.259 25.612 34.971 0.00 0.00 H +HETATM 6227 OW SOL C2010 32.747 40.969 8.312 0.00 0.00 O +HETATM 6228 HW SOL C2010 33.159 41.439 9.079 0.00 0.00 H +HETATM 6229 HW SOL C2010 32.653 41.665 7.614 0.00 0.00 H +HETATM 6230 OW SOL C2011 7.296 53.133 5.427 0.00 0.00 O +HETATM 6231 HW SOL C2011 7.288 52.267 5.906 0.00 0.00 H +HETATM 6232 HW SOL C2011 7.135 53.809 6.133 0.00 0.00 H +HETATM 6233 OW SOL C2012 1.554 41.450 41.171 0.00 0.00 O +HETATM 6234 HW SOL C2012 2.055 42.202 40.765 0.00 0.00 H +HETATM 6235 HW SOL C2012 1.221 41.810 42.031 0.00 0.00 H +HETATM 6236 OW SOL C2013 44.028 51.564 30.216 0.00 0.00 O +HETATM 6237 HW SOL C2013 43.200 51.171 30.591 0.00 0.00 H +HETATM 6238 HW SOL C2013 44.535 51.878 31.007 0.00 0.00 H +HETATM 6239 OW SOL C2014 26.861 45.891 52.053 0.00 0.00 O +HETATM 6240 HW SOL C2014 27.674 46.456 52.032 0.00 0.00 H +HETATM 6241 HW SOL C2014 27.204 44.961 52.039 0.00 0.00 H +HETATM 6242 OW SOL C2015 55.806 43.138 7.756 0.00 0.00 O +HETATM 6243 HW SOL C2015 54.834 43.174 7.935 0.00 0.00 H +HETATM 6244 HW SOL C2015 56.077 44.086 7.661 0.00 0.00 H +HETATM 6245 OW SOL C2016 59.744 5.514 58.052 0.00 0.00 O +HETATM 6246 HW SOL C2016 59.344 6.403 58.223 0.00 0.00 H +HETATM 6247 HW SOL C2016 59.034 5.008 57.582 0.00 0.00 H +HETATM 6248 OW SOL C2017 8.674 42.681 52.837 0.00 0.00 O +HETATM 6249 HW SOL C2017 8.110 41.878 52.708 0.00 0.00 H +HETATM 6250 HW SOL C2017 9.295 42.675 52.066 0.00 0.00 H +HETATM 6251 OW SOL C2018 31.536 18.406 32.936 0.00 0.00 O +HETATM 6252 HW SOL C2018 32.032 17.575 33.144 0.00 0.00 H +HETATM 6253 HW SOL C2018 30.585 18.170 33.078 0.00 0.00 H +HETATM 6254 OW SOL C2019 47.765 39.026 30.018 0.00 0.00 O +HETATM 6255 HW SOL C2019 48.377 39.223 29.265 0.00 0.00 H +HETATM 6256 HW SOL C2019 47.821 38.044 30.133 0.00 0.00 H +HETATM 6257 OW SOL C2020 25.028 56.473 39.490 0.00 0.00 O +HETATM 6258 HW SOL C2020 24.584 56.683 38.630 0.00 0.00 H +HETATM 6259 HW SOL C2020 24.482 56.941 40.171 0.00 0.00 H +HETATM 6260 OW SOL C2021 53.980 39.948 30.987 0.00 0.00 O +HETATM 6261 HW SOL C2021 52.998 39.921 30.866 0.00 0.00 H +HETATM 6262 HW SOL C2021 54.281 39.025 30.788 0.00 0.00 H +HETATM 6263 OW SOL C2022 53.445 5.424 25.598 0.00 0.00 O +HETATM 6264 HW SOL C2022 53.638 6.356 25.325 0.00 0.00 H +HETATM 6265 HW SOL C2022 53.424 4.916 24.748 0.00 0.00 H +HETATM 6266 OW SOL C2023 50.623 36.043 45.278 0.00 0.00 O +HETATM 6267 HW SOL C2023 51.184 35.683 44.546 0.00 0.00 H +HETATM 6268 HW SOL C2023 51.268 36.463 45.902 0.00 0.00 H +HETATM 6269 OW SOL C2024 23.447 4.514 42.652 0.00 0.00 O +HETATM 6270 HW SOL C2024 24.373 4.342 42.958 0.00 0.00 H +HETATM 6271 HW SOL C2024 22.959 3.676 42.856 0.00 0.00 H +HETATM 6272 OW SOL C2025 52.793 33.283 0.922 0.00 0.00 O +HETATM 6273 HW SOL C2025 51.811 33.158 0.945 0.00 0.00 H +HETATM 6274 HW SOL C2025 52.920 34.180 0.523 0.00 0.00 H +HETATM 6275 OW SOL C2026 57.683 30.343 54.250 0.00 0.00 O +HETATM 6276 HW SOL C2026 57.595 30.283 55.235 0.00 0.00 H +HETATM 6277 HW SOL C2026 58.656 30.445 54.095 0.00 0.00 H +HETATM 6278 OW SOL C2027 24.924 59.846 39.884 0.00 0.00 O +HETATM 6279 HW SOL C2027 25.738 59.284 39.936 0.00 0.00 H +HETATM 6280 HW SOL C2027 24.174 59.202 39.947 0.00 0.00 H +HETATM 6281 OW SOL C2028 44.812 18.830 35.969 0.00 0.00 O +HETATM 6282 HW SOL C2028 45.113 19.537 35.345 0.00 0.00 H +HETATM 6283 HW SOL C2028 43.944 19.158 36.315 0.00 0.00 H +HETATM 6284 OW SOL C2029 20.779 12.778 10.755 0.00 0.00 O +HETATM 6285 HW SOL C2029 21.133 11.972 11.209 0.00 0.00 H +HETATM 6286 HW SOL C2029 20.222 13.225 11.442 0.00 0.00 H +HETATM 6287 OW SOL C2030 57.785 59.449 34.561 0.00 0.00 O +HETATM 6288 HW SOL C2030 58.602 59.928 34.273 0.00 0.00 H +HETATM 6289 HW SOL C2030 58.092 58.527 34.752 0.00 0.00 H +HETATM 6290 OW SOL C2031 7.891 33.594 36.197 0.00 0.00 O +HETATM 6291 HW SOL C2031 7.575 32.733 36.571 0.00 0.00 H +HETATM 6292 HW SOL C2031 8.523 33.335 35.479 0.00 0.00 H +HETATM 6293 OW SOL C2032 50.414 44.799 4.619 0.00 0.00 O +HETATM 6294 HW SOL C2032 50.781 45.691 4.842 0.00 0.00 H +HETATM 6295 HW SOL C2032 51.142 44.347 4.123 0.00 0.00 H +HETATM 6296 OW SOL C2033 46.611 47.308 52.232 0.00 0.00 O +HETATM 6297 HW SOL C2033 45.632 47.451 52.210 0.00 0.00 H +HETATM 6298 HW SOL C2033 46.717 46.342 52.425 0.00 0.00 H +HETATM 6299 OW SOL C2034 29.029 3.524 47.076 0.00 0.00 O +HETATM 6300 HW SOL C2034 29.833 4.035 47.346 0.00 0.00 H +HETATM 6301 HW SOL C2034 28.482 4.173 46.566 0.00 0.00 H +HETATM 6302 OW SOL C2035 58.619 56.174 58.847 0.00 0.00 O +HETATM 6303 HW SOL C2035 58.799 57.148 58.838 0.00 0.00 H +HETATM 6304 HW SOL C2035 59.514 55.756 58.777 0.00 0.00 H +HETATM 6305 OW SOL C2036 57.619 17.852 48.124 0.00 0.00 O +HETATM 6306 HW SOL C2036 58.500 17.805 47.675 0.00 0.00 H +HETATM 6307 HW SOL C2036 57.646 18.701 48.634 0.00 0.00 H +HETATM 6308 OW SOL C2037 6.087 41.219 29.627 0.00 0.00 O +HETATM 6309 HW SOL C2037 5.199 41.657 29.628 0.00 0.00 H +HETATM 6310 HW SOL C2037 5.888 40.256 29.515 0.00 0.00 H +HETATM 6311 OW SOL C2038 21.225 45.797 6.385 0.00 0.00 O +HETATM 6312 HW SOL C2038 20.969 44.871 6.143 0.00 0.00 H +HETATM 6313 HW SOL C2038 21.957 46.024 5.758 0.00 0.00 H +HETATM 6314 OW SOL C2039 24.113 11.478 35.123 0.00 0.00 O +HETATM 6315 HW SOL C2039 24.141 12.446 34.919 0.00 0.00 H +HETATM 6316 HW SOL C2039 24.924 11.315 35.667 0.00 0.00 H +HETATM 6317 OW SOL C2040 10.533 49.449 28.037 0.00 0.00 O +HETATM 6318 HW SOL C2040 10.983 50.151 27.504 0.00 0.00 H +HETATM 6319 HW SOL C2040 11.035 48.621 27.832 0.00 0.00 H +HETATM 6320 OW SOL C2041 11.586 43.892 46.451 0.00 0.00 O +HETATM 6321 HW SOL C2041 11.751 43.058 45.943 0.00 0.00 H +HETATM 6322 HW SOL C2041 12.011 43.735 47.331 0.00 0.00 H +HETATM 6323 OW SOL C2042 31.927 41.356 57.819 0.00 0.00 O +HETATM 6324 HW SOL C2042 31.207 41.842 57.344 0.00 0.00 H 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6342 HW SOL C2048 4.234 28.700 47.438 0.00 0.00 H +HETATM 6343 HW SOL C2048 4.333 27.161 47.161 0.00 0.00 H +HETATM 6344 OW SOL C2049 10.178 47.471 3.806 0.00 0.00 O +HETATM 6345 HW SOL C2049 10.577 47.165 4.659 0.00 0.00 H +HETATM 6346 HW SOL C2049 10.058 46.643 3.277 0.00 0.00 H +HETATM 6347 OW SOL C2050 19.079 22.354 5.146 0.00 0.00 O +HETATM 6348 HW SOL C2050 19.964 22.672 5.456 0.00 0.00 H +HETATM 6349 HW SOL C2050 18.445 22.672 5.837 0.00 0.00 H +HETATM 6350 OW SOL C2051 20.373 42.287 20.701 0.00 0.00 O +HETATM 6351 HW SOL C2051 20.270 41.613 21.419 0.00 0.00 H +HETATM 6352 HW SOL C2051 21.305 42.174 20.386 0.00 0.00 H +HETATM 6353 OW SOL C2052 28.086 14.297 40.685 0.00 0.00 O +HETATM 6354 HW SOL C2052 28.072 14.594 41.629 0.00 0.00 H +HETATM 6355 HW SOL C2052 28.691 13.513 40.680 0.00 0.00 H +HETATM 6356 OW SOL C2053 55.383 26.007 34.221 0.00 0.00 O +HETATM 6357 HW SOL C2053 56.279 26.399 34.372 0.00 0.00 H +HETATM 6358 HW SOL C2053 55.564 25.093 33.886 0.00 0.00 H +HETATM 6359 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5.908 53.744 8.658 0.00 0.00 H +HETATM 6394 HW SOL C2065 6.926 54.420 9.637 0.00 0.00 H +HETATM 6395 OW SOL C2066 58.989 37.181 23.931 0.00 0.00 O +HETATM 6396 HW SOL C2066 59.674 36.472 23.839 0.00 0.00 H +HETATM 6397 HW SOL C2066 59.501 37.991 24.183 0.00 0.00 H +HETATM 6398 OW SOL C2067 52.558 48.317 48.678 0.00 0.00 O +HETATM 6399 HW SOL C2067 52.430 47.364 48.444 0.00 0.00 H +HETATM 6400 HW SOL C2067 53.020 48.299 49.554 0.00 0.00 H +HETATM 6401 OW SOL C2068 58.802 24.189 24.811 0.00 0.00 O +HETATM 6402 HW SOL C2068 59.146 24.730 24.056 0.00 0.00 H +HETATM 6403 HW SOL C2068 58.227 24.814 25.322 0.00 0.00 H +HETATM 6404 OW SOL C2069 2.006 49.657 7.511 0.00 0.00 O +HETATM 6405 HW SOL C2069 2.031 50.639 7.387 0.00 0.00 H +HETATM 6406 HW SOL C2069 1.217 49.500 8.090 0.00 0.00 H +HETATM 6407 OW SOL C2070 52.409 59.064 40.391 0.00 0.00 O +HETATM 6408 HW SOL C2070 51.988 59.952 40.510 0.00 0.00 H +HETATM 6409 HW SOL C2070 51.653 58.425 40.417 0.00 0.00 H +HETATM 6410 OW SOL C2071 35.212 15.078 45.931 0.00 0.00 O +HETATM 6411 HW SOL C2071 35.406 14.122 46.099 0.00 0.00 H +HETATM 6412 HW SOL C2071 34.475 15.296 46.556 0.00 0.00 H +HETATM 6413 OW SOL C2072 44.980 20.442 58.509 0.00 0.00 O +HETATM 6414 HW SOL C2072 45.051 20.577 57.531 0.00 0.00 H +HETATM 6415 HW SOL C2072 45.171 19.480 58.642 0.00 0.00 H +HETATM 6416 OW SOL C2073 52.188 38.831 33.811 0.00 0.00 O +HETATM 6417 HW SOL C2073 51.755 38.417 34.599 0.00 0.00 H +HETATM 6418 HW SOL C2073 52.779 39.529 34.190 0.00 0.00 H +HETATM 6419 OW SOL C2074 32.575 5.281 5.307 0.00 0.00 O +HETATM 6420 HW SOL C2074 32.579 6.269 5.244 0.00 0.00 H +HETATM 6421 HW SOL C2074 31.637 5.051 5.528 0.00 0.00 H +HETATM 6422 OW SOL C2075 6.775 0.680 54.183 0.00 0.00 O +HETATM 6423 HW SOL C2075 7.301 1.410 53.770 0.00 0.00 H +HETATM 6424 HW SOL C2075 7.449 0.000 54.436 0.00 0.00 H +HETATM 6425 OW SOL C2076 10.257 10.938 21.568 0.00 0.00 O +HETATM 6426 HW SOL C2076 9.848 11.025 20.670 0.00 0.00 H +HETATM 6427 HW SOL C2076 10.302 9.962 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56.966 0.00 0.00 H +HETATM 6445 HW SOL C2082 29.485 47.895 57.335 0.00 0.00 H +HETATM 6446 OW SOL C2083 38.399 0.566 39.037 0.00 0.00 O +HETATM 6447 HW SOL C2083 38.573 1.541 39.008 0.00 0.00 H +HETATM 6448 HW SOL C2083 37.769 0.449 39.792 0.00 0.00 H +HETATM 6449 OW SOL C2084 50.720 54.431 59.183 0.00 0.00 O +HETATM 6450 HW SOL C2084 50.738 53.807 59.952 0.00 0.00 H +HETATM 6451 HW SOL C2084 50.874 55.324 59.584 0.00 0.00 H +HETATM 6452 OW SOL C2085 34.882 37.344 17.294 0.00 0.00 O +HETATM 6453 HW SOL C2085 34.708 36.377 17.172 0.00 0.00 H +HETATM 6454 HW SOL C2085 34.565 37.539 18.212 0.00 0.00 H +HETATM 6455 OW SOL C2086 59.025 3.715 20.363 0.00 0.00 O +HETATM 6456 HW SOL C2086 58.376 3.815 19.622 0.00 0.00 H +HETATM 6457 HW SOL C2086 59.283 2.759 20.341 0.00 0.00 H +HETATM 6458 OW SOL C2087 47.103 18.825 43.115 0.00 0.00 O +HETATM 6459 HW SOL C2087 46.446 19.402 43.579 0.00 0.00 H +HETATM 6460 HW SOL C2087 46.599 18.433 42.358 0.00 0.00 H +HETATM 6461 OW SOL C2088 57.306 22.508 7.076 0.00 0.00 O +HETATM 6462 HW SOL C2088 58.059 22.147 6.544 0.00 0.00 H +HETATM 6463 HW SOL C2088 57.454 23.487 7.084 0.00 0.00 H +HETATM 6464 OW SOL C2089 52.908 1.666 4.050 0.00 0.00 O +HETATM 6465 HW SOL C2089 53.434 0.827 4.037 0.00 0.00 H +HETATM 6466 HW SOL C2089 53.589 2.385 4.066 0.00 0.00 H +HETATM 6467 OW SOL C2090 48.248 54.713 11.490 0.00 0.00 O +HETATM 6468 HW SOL C2090 47.454 54.357 11.962 0.00 0.00 H +HETATM 6469 HW SOL C2090 49.017 54.264 11.923 0.00 0.00 H +HETATM 6470 OW SOL C2091 2.970 31.663 54.925 0.00 0.00 O +HETATM 6471 HW SOL C2091 3.243 30.712 54.959 0.00 0.00 H +HETATM 6472 HW SOL C2091 2.050 31.671 55.292 0.00 0.00 H +HETATM 6473 OW SOL C2092 39.881 11.021 6.877 0.00 0.00 O +HETATM 6474 HW SOL C2092 39.841 10.080 6.571 0.00 0.00 H +HETATM 6475 HW SOL C2092 40.849 11.207 6.980 0.00 0.00 H +HETATM 6476 OW SOL C2093 36.867 7.276 54.562 0.00 0.00 O +HETATM 6477 HW SOL C2093 36.889 6.327 54.280 0.00 0.00 H +HETATM 6478 HW SOL C2093 35.978 7.388 54.985 0.00 0.00 H +HETATM 6479 OW SOL C2094 11.999 30.321 37.127 0.00 0.00 O +HETATM 6480 HW SOL C2094 11.904 30.822 37.976 0.00 0.00 H +HETATM 6481 HW SOL C2094 11.083 30.008 36.919 0.00 0.00 H +HETATM 6482 OW SOL C2095 17.460 37.823 27.512 0.00 0.00 O +HETATM 6483 HW SOL C2095 18.375 38.177 27.641 0.00 0.00 H +HETATM 6484 HW SOL C2095 17.245 38.028 26.567 0.00 0.00 H +HETATM 6485 OW SOL C2096 47.659 58.138 39.422 0.00 0.00 O +HETATM 6486 HW SOL C2096 47.500 59.053 39.081 0.00 0.00 H +HETATM 6487 HW SOL C2096 48.577 58.168 39.795 0.00 0.00 H +HETATM 6488 OW SOL C2097 45.953 11.083 30.318 0.00 0.00 O +HETATM 6489 HW SOL C2097 46.296 10.270 29.870 0.00 0.00 H +HETATM 6490 HW SOL C2097 46.765 11.573 30.603 0.00 0.00 H +HETATM 6491 OW SOL C2098 25.090 1.239 11.986 0.00 0.00 O +HETATM 6492 HW SOL C2098 25.337 0.333 11.674 0.00 0.00 H +HETATM 6493 HW SOL C2098 25.948 1.734 12.016 0.00 0.00 H +HETATM 6494 OW SOL C2099 55.296 46.921 42.014 0.00 0.00 O +HETATM 6495 HW SOL C2099 55.528 47.698 42.581 0.00 0.00 H +HETATM 6496 HW SOL C2099 54.625 46.419 42.543 0.00 0.00 H +HETATM 6497 OW SOL C2100 5.649 8.511 34.268 0.00 0.00 O +HETATM 6498 HW SOL C2100 5.544 7.549 34.477 0.00 0.00 H +HETATM 6499 HW SOL C2100 6.570 8.588 33.912 0.00 0.00 H +HETATM 6500 OW SOL C2101 20.351 19.181 50.724 0.00 0.00 O +HETATM 6501 HW SOL C2101 21.242 18.924 50.378 0.00 0.00 H +HETATM 6502 HW SOL C2101 20.210 20.102 50.387 0.00 0.00 H +HETATM 6503 OW SOL C2102 25.496 25.018 0.328 0.00 0.00 O +HETATM 6504 HW SOL C2102 25.276 24.058 0.424 0.00 0.00 H +HETATM 6505 HW SOL C2102 26.446 25.028 0.048 0.00 0.00 H +HETATM 6506 OW SOL C2103 45.222 49.980 3.970 0.00 0.00 O +HETATM 6507 HW SOL C2103 45.724 50.375 3.214 0.00 0.00 H +HETATM 6508 HW SOL C2103 44.294 50.303 3.848 0.00 0.00 H +HETATM 6509 OW SOL C2104 29.026 28.959 2.193 0.00 0.00 O +HETATM 6510 HW SOL C2104 29.474 28.078 2.134 0.00 0.00 H +HETATM 6511 HW SOL C2104 28.060 28.751 2.124 0.00 0.00 H +HETATM 6512 OW SOL C2105 41.861 56.251 55.766 0.00 0.00 O 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6547 HW SOL C2116 38.945 13.810 0.008 0.00 0.00 H +HETATM 6548 OW SOL C2117 53.827 27.004 51.938 0.00 0.00 O +HETATM 6549 HW SOL C2117 54.416 26.224 52.096 0.00 0.00 H +HETATM 6550 HW SOL C2117 53.100 26.904 52.603 0.00 0.00 H +HETATM 6551 OW SOL C2118 5.139 28.546 33.617 0.00 0.00 O +HETATM 6552 HW SOL C2118 4.411 29.215 33.671 0.00 0.00 H +HETATM 6553 HW SOL C2118 4.897 27.861 34.291 0.00 0.00 H +HETATM 6554 OW SOL C2119 50.023 44.416 45.434 0.00 0.00 O +HETATM 6555 HW SOL C2119 49.447 43.734 45.005 0.00 0.00 H +HETATM 6556 HW SOL C2119 49.853 44.311 46.404 0.00 0.00 H +HETATM 6557 OW SOL C2120 27.109 56.471 2.936 0.00 0.00 O +HETATM 6558 HW SOL C2120 27.839 56.634 3.584 0.00 0.00 H +HETATM 6559 HW SOL C2120 26.980 55.489 2.949 0.00 0.00 H +HETATM 6560 OW SOL C2121 47.723 33.899 29.626 0.00 0.00 O +HETATM 6561 HW SOL C2121 48.710 33.840 29.580 0.00 0.00 H +HETATM 6562 HW SOL C2121 47.420 32.959 29.697 0.00 0.00 H +HETATM 6563 OW SOL C2122 58.416 18.403 17.971 0.00 0.00 O +HETATM 6564 HW SOL C2122 59.186 17.813 18.165 0.00 0.00 H +HETATM 6565 HW SOL C2122 58.668 19.278 18.361 0.00 0.00 H +HETATM 6566 OW SOL C2123 40.485 35.066 22.260 0.00 0.00 O +HETATM 6567 HW SOL C2123 40.967 34.321 21.819 0.00 0.00 H +HETATM 6568 HW SOL C2123 39.756 35.297 21.631 0.00 0.00 H +HETATM 6569 OW SOL C2124 19.396 38.799 10.918 0.00 0.00 O +HETATM 6570 HW SOL C2124 19.985 38.003 10.939 0.00 0.00 H +HETATM 6571 HW SOL C2124 18.508 38.458 11.194 0.00 0.00 H +HETATM 6572 OW SOL C2125 24.923 13.061 20.214 0.00 0.00 O +HETATM 6573 HW SOL C2125 24.271 13.793 20.079 0.00 0.00 H +HETATM 6574 HW SOL C2125 24.385 12.310 20.572 0.00 0.00 H +HETATM 6575 OW SOL C2126 36.211 58.999 6.900 0.00 0.00 O +HETATM 6576 HW SOL C2126 35.546 58.574 6.302 0.00 0.00 H +HETATM 6577 HW SOL C2126 37.007 58.413 6.843 0.00 0.00 H +HETATM 6578 OW SOL C2127 19.594 50.494 15.212 0.00 0.00 O +HETATM 6579 HW SOL C2127 19.074 51.211 15.655 0.00 0.00 H +HETATM 6580 HW SOL C2127 20.521 50.840 15.184 0.00 0.00 H +HETATM 6581 OW SOL C2128 17.768 36.650 36.519 0.00 0.00 O +HETATM 6582 HW SOL C2128 18.740 36.467 36.555 0.00 0.00 H +HETATM 6583 HW SOL C2128 17.705 37.626 36.359 0.00 0.00 H +HETATM 6584 OW SOL C2129 26.875 22.198 17.420 0.00 0.00 O +HETATM 6585 HW SOL C2129 25.947 22.067 17.101 0.00 0.00 H +HETATM 6586 HW SOL C2129 26.950 21.613 18.216 0.00 0.00 H +HETATM 6587 OW SOL C2130 21.123 21.433 19.783 0.00 0.00 O +HETATM 6588 HW SOL C2130 21.030 20.495 19.482 0.00 0.00 H +HETATM 6589 HW SOL C2130 22.078 21.649 19.633 0.00 0.00 H +HETATM 6590 OW SOL C2131 52.026 2.550 34.135 0.00 0.00 O +HETATM 6591 HW SOL C2131 51.682 1.622 34.135 0.00 0.00 H +HETATM 6592 HW SOL C2131 51.214 3.117 34.136 0.00 0.00 H +HETATM 6593 OW SOL C2132 47.755 10.568 21.375 0.00 0.00 O +HETATM 6594 HW SOL C2132 47.916 10.252 20.451 0.00 0.00 H +HETATM 6595 HW SOL C2132 46.966 11.162 21.300 0.00 0.00 H +HETATM 6596 OW SOL C2133 18.544 37.123 18.413 0.00 0.00 O +HETATM 6597 HW SOL C2133 19.325 37.662 18.693 0.00 0.00 H +HETATM 6598 HW SOL C2133 18.807 36.187 18.602 0.00 0.00 H +CONECT 200 201 202 +CONECT 201 200 +CONECT 202 200 +CONECT 203 204 205 +CONECT 204 203 +CONECT 205 203 +CONECT 206 207 208 +CONECT 207 206 +CONECT 208 206 +CONECT 209 210 211 +CONECT 210 209 +CONECT 211 209 +CONECT 212 213 214 +CONECT 213 212 +CONECT 214 212 +CONECT 215 216 217 +CONECT 216 215 +CONECT 217 215 +CONECT 218 219 220 +CONECT 219 218 +CONECT 220 218 +CONECT 221 222 223 +CONECT 222 221 +CONECT 223 221 +CONECT 224 225 226 +CONECT 225 224 +CONECT 226 224 +CONECT 227 228 229 +CONECT 228 227 +CONECT 229 227 +CONECT 230 231 232 +CONECT 231 230 +CONECT 232 230 +CONECT 233 234 235 +CONECT 234 233 +CONECT 235 233 +CONECT 236 237 238 +CONECT 237 236 +CONECT 238 236 +CONECT 239 240 241 +CONECT 240 239 +CONECT 241 239 +CONECT 242 243 244 +CONECT 243 242 +CONECT 244 242 +CONECT 245 246 247 +CONECT 246 245 +CONECT 247 245 +CONECT 248 249 250 +CONECT 249 248 +CONECT 250 248 +CONECT 251 252 253 +CONECT 252 251 +CONECT 253 251 +CONECT 254 255 256 +CONECT 255 254 +CONECT 256 254 +CONECT 257 258 259 +CONECT 258 257 +CONECT 259 257 +CONECT 260 261 262 +CONECT 261 260 +CONECT 262 260 +CONECT 263 264 265 +CONECT 264 263 +CONECT 265 263 +CONECT 266 267 268 +CONECT 267 266 +CONECT 268 266 +CONECT 269 270 271 +CONECT 270 269 +CONECT 271 269 +CONECT 272 273 274 +CONECT 273 272 +CONECT 274 272 +CONECT 275 276 277 +CONECT 276 275 +CONECT 277 275 +CONECT 278 279 280 +CONECT 279 278 +CONECT 280 278 +CONECT 281 282 283 +CONECT 282 281 +CONECT 283 281 +CONECT 284 285 286 +CONECT 285 284 +CONECT 286 284 +CONECT 287 288 289 +CONECT 288 287 +CONECT 289 287 +CONECT 290 291 292 +CONECT 291 290 +CONECT 292 290 +CONECT 293 294 295 +CONECT 294 293 +CONECT 295 293 +CONECT 296 297 298 +CONECT 297 296 +CONECT 298 296 +CONECT 299 300 301 +CONECT 300 299 +CONECT 301 299 +CONECT 302 303 304 +CONECT 303 302 +CONECT 304 302 +CONECT 305 306 307 +CONECT 306 305 +CONECT 307 305 +CONECT 308 309 310 +CONECT 309 308 +CONECT 310 308 +CONECT 311 312 313 +CONECT 312 311 +CONECT 313 311 +CONECT 314 315 316 +CONECT 315 314 +CONECT 316 314 +CONECT 317 318 319 +CONECT 318 317 +CONECT 319 317 +CONECT 320 321 322 +CONECT 321 320 +CONECT 322 320 +CONECT 323 324 325 +CONECT 324 323 +CONECT 325 323 +CONECT 326 327 328 +CONECT 327 326 +CONECT 328 326 +CONECT 329 330 331 +CONECT 330 329 +CONECT 331 329 +CONECT 332 333 334 +CONECT 333 332 +CONECT 334 332 +CONECT 335 336 337 +CONECT 336 335 +CONECT 337 335 +CONECT 338 339 340 +CONECT 339 338 +CONECT 340 338 +CONECT 341 342 343 +CONECT 342 341 +CONECT 343 341 +CONECT 344 345 346 +CONECT 345 344 +CONECT 346 344 +CONECT 347 348 349 +CONECT 348 347 +CONECT 349 347 +CONECT 350 351 352 +CONECT 351 350 +CONECT 352 350 +CONECT 353 354 355 +CONECT 354 353 +CONECT 355 353 +CONECT 356 357 358 +CONECT 357 356 +CONECT 358 356 +CONECT 359 360 361 +CONECT 360 359 +CONECT 361 359 +CONECT 362 363 364 +CONECT 363 362 +CONECT 364 362 +CONECT 365 366 367 +CONECT 366 365 +CONECT 367 365 +CONECT 368 369 370 +CONECT 369 368 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425 +CONECT 428 429 430 +CONECT 429 428 +CONECT 430 428 +CONECT 431 432 433 +CONECT 432 431 +CONECT 433 431 +CONECT 434 435 436 +CONECT 435 434 +CONECT 436 434 +CONECT 437 438 439 +CONECT 438 437 +CONECT 439 437 +CONECT 440 441 442 +CONECT 441 440 +CONECT 442 440 +CONECT 443 444 445 +CONECT 444 443 +CONECT 445 443 +CONECT 446 447 448 +CONECT 447 446 +CONECT 448 446 +CONECT 449 450 451 +CONECT 450 449 +CONECT 451 449 +CONECT 452 453 454 +CONECT 453 452 +CONECT 454 452 +CONECT 455 456 457 +CONECT 456 455 +CONECT 457 455 +CONECT 458 459 460 +CONECT 459 458 +CONECT 460 458 +CONECT 461 462 463 +CONECT 462 461 +CONECT 463 461 +CONECT 464 465 466 +CONECT 465 464 +CONECT 466 464 +CONECT 467 468 469 +CONECT 468 467 +CONECT 469 467 +CONECT 470 471 472 +CONECT 471 470 +CONECT 472 470 +CONECT 473 474 475 +CONECT 474 473 +CONECT 475 473 +CONECT 476 477 478 +CONECT 477 476 +CONECT 478 476 +CONECT 479 480 481 +CONECT 480 479 +CONECT 481 479 +CONECT 482 483 484 +CONECT 483 482 +CONECT 484 482 +CONECT 485 486 487 +CONECT 486 485 +CONECT 487 485 +CONECT 488 489 490 +CONECT 489 488 +CONECT 490 488 +CONECT 491 492 493 +CONECT 492 491 +CONECT 493 491 +CONECT 494 495 496 +CONECT 495 494 +CONECT 496 494 +CONECT 497 498 499 +CONECT 498 497 +CONECT 499 497 +CONECT 500 501 502 +CONECT 501 500 +CONECT 502 500 +CONECT 503 504 505 +CONECT 504 503 +CONECT 505 503 +CONECT 506 507 508 +CONECT 507 506 +CONECT 508 506 +CONECT 509 510 511 +CONECT 510 509 +CONECT 511 509 +CONECT 512 513 514 +CONECT 513 512 +CONECT 514 512 +CONECT 515 516 517 +CONECT 516 515 +CONECT 517 515 +CONECT 518 519 520 +CONECT 519 518 +CONECT 520 518 +CONECT 521 522 523 +CONECT 522 521 +CONECT 523 521 +CONECT 524 525 526 +CONECT 525 524 +CONECT 526 524 +CONECT 527 528 529 +CONECT 528 527 +CONECT 529 527 +CONECT 530 531 532 +CONECT 531 530 +CONECT 532 530 +CONECT 533 534 535 +CONECT 534 533 +CONECT 535 533 +CONECT 536 537 538 +CONECT 537 536 +CONECT 538 536 +CONECT 539 540 541 +CONECT 540 539 +CONECT 541 539 +CONECT 542 543 544 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599 +CONECT 601 599 +CONECT 602 603 604 +CONECT 603 602 +CONECT 604 602 +CONECT 605 606 607 +CONECT 606 605 +CONECT 607 605 +CONECT 608 609 610 +CONECT 609 608 +CONECT 610 608 +CONECT 611 612 613 +CONECT 612 611 +CONECT 613 611 +CONECT 614 615 616 +CONECT 615 614 +CONECT 616 614 +CONECT 617 618 619 +CONECT 618 617 +CONECT 619 617 +CONECT 620 621 622 +CONECT 621 620 +CONECT 622 620 +CONECT 623 624 625 +CONECT 624 623 +CONECT 625 623 +CONECT 626 627 628 +CONECT 627 626 +CONECT 628 626 +CONECT 629 630 631 +CONECT 630 629 +CONECT 631 629 +CONECT 632 633 634 +CONECT 633 632 +CONECT 634 632 +CONECT 635 636 637 +CONECT 636 635 +CONECT 637 635 +CONECT 638 639 640 +CONECT 639 638 +CONECT 640 638 +CONECT 641 642 643 +CONECT 642 641 +CONECT 643 641 +CONECT 644 645 646 +CONECT 645 644 +CONECT 646 644 +CONECT 647 648 649 +CONECT 648 647 +CONECT 649 647 +CONECT 650 651 652 +CONECT 651 650 +CONECT 652 650 +CONECT 653 654 655 +CONECT 654 653 +CONECT 655 653 +CONECT 656 657 658 +CONECT 657 656 +CONECT 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6224 +CONECT 6226 6224 +CONECT 6227 6228 6229 +CONECT 6228 6227 +CONECT 6229 6227 +CONECT 6230 6231 6232 +CONECT 6231 6230 +CONECT 6232 6230 +CONECT 6233 6234 6235 +CONECT 6234 6233 +CONECT 6235 6233 +CONECT 6236 6237 6238 +CONECT 6237 6236 +CONECT 6238 6236 +CONECT 6239 6240 6241 +CONECT 6240 6239 +CONECT 6241 6239 +CONECT 6242 6243 6244 +CONECT 6243 6242 +CONECT 6244 6242 +CONECT 6245 6246 6247 +CONECT 6246 6245 +CONECT 6247 6245 +CONECT 6248 6249 6250 +CONECT 6249 6248 +CONECT 6250 6248 +CONECT 6251 6252 6253 +CONECT 6252 6251 +CONECT 6253 6251 +CONECT 6254 6255 6256 +CONECT 6255 6254 +CONECT 6256 6254 +CONECT 6257 6258 6259 +CONECT 6258 6257 +CONECT 6259 6257 +CONECT 6260 6261 6262 +CONECT 6261 6260 +CONECT 6262 6260 +CONECT 6263 6264 6265 +CONECT 6264 6263 +CONECT 6265 6263 +CONECT 6266 6267 6268 +CONECT 6267 6266 +CONECT 6268 6266 +CONECT 6269 6270 6271 +CONECT 6270 6269 +CONECT 6271 6269 +CONECT 6272 6273 6274 +CONECT 6273 6272 +CONECT 6274 6272 +CONECT 6275 6276 6277 +CONECT 6276 6275 +CONECT 6277 6275 +CONECT 6278 6279 6280 +CONECT 6279 6278 +CONECT 6280 6278 +CONECT 6281 6282 6283 +CONECT 6282 6281 +CONECT 6283 6281 +CONECT 6284 6285 6286 +CONECT 6285 6284 +CONECT 6286 6284 +CONECT 6287 6288 6289 +CONECT 6288 6287 +CONECT 6289 6287 +CONECT 6290 6291 6292 +CONECT 6291 6290 +CONECT 6292 6290 +CONECT 6293 6294 6295 +CONECT 6294 6293 +CONECT 6295 6293 +CONECT 6296 6297 6298 +CONECT 6297 6296 +CONECT 6298 6296 +CONECT 6299 6300 6301 +CONECT 6300 6299 +CONECT 6301 6299 +CONECT 6302 6303 6304 +CONECT 6303 6302 +CONECT 6304 6302 +CONECT 6305 6306 6307 +CONECT 6306 6305 +CONECT 6307 6305 +CONECT 6308 6309 6310 +CONECT 6309 6308 +CONECT 6310 6308 +CONECT 6311 6312 6313 +CONECT 6312 6311 +CONECT 6313 6311 +CONECT 6314 6315 6316 +CONECT 6315 6314 +CONECT 6316 6314 +CONECT 6317 6318 6319 +CONECT 6318 6317 +CONECT 6319 6317 +CONECT 6320 6321 6322 +CONECT 6321 6320 +CONECT 6322 6320 +CONECT 6323 6324 6325 +CONECT 6324 6323 +CONECT 6325 6323 +CONECT 6326 6327 6328 +CONECT 6327 6326 +CONECT 6328 6326 +CONECT 6329 6330 6331 +CONECT 6330 6329 +CONECT 6331 6329 +CONECT 6332 6333 6334 +CONECT 6333 6332 +CONECT 6334 6332 +CONECT 6335 6336 6337 +CONECT 6336 6335 +CONECT 6337 6335 +CONECT 6338 6339 6340 +CONECT 6339 6338 +CONECT 6340 6338 +CONECT 6341 6342 6343 +CONECT 6342 6341 +CONECT 6343 6341 +CONECT 6344 6345 6346 +CONECT 6345 6344 +CONECT 6346 6344 +CONECT 6347 6348 6349 +CONECT 6348 6347 +CONECT 6349 6347 +CONECT 6350 6351 6352 +CONECT 6351 6350 +CONECT 6352 6350 +CONECT 6353 6354 6355 +CONECT 6354 6353 +CONECT 6355 6353 +CONECT 6356 6357 6358 +CONECT 6357 6356 +CONECT 6358 6356 +CONECT 6359 6360 6361 +CONECT 6360 6359 +CONECT 6361 6359 +CONECT 6362 6363 6364 +CONECT 6363 6362 +CONECT 6364 6362 +CONECT 6365 6366 6367 +CONECT 6366 6365 +CONECT 6367 6365 +CONECT 6368 6369 6370 +CONECT 6369 6368 +CONECT 6370 6368 +CONECT 6371 6372 6373 +CONECT 6372 6371 +CONECT 6373 6371 +CONECT 6374 6375 6376 +CONECT 6375 6374 +CONECT 6376 6374 +CONECT 6377 6378 6379 +CONECT 6378 6377 +CONECT 6379 6377 +CONECT 6380 6381 6382 +CONECT 6381 6380 +CONECT 6382 6380 +CONECT 6383 6384 6385 +CONECT 6384 6383 +CONECT 6385 6383 +CONECT 6386 6387 6388 +CONECT 6387 6386 +CONECT 6388 6386 +CONECT 6389 6390 6391 +CONECT 6390 6389 +CONECT 6391 6389 +CONECT 6392 6393 6394 +CONECT 6393 6392 +CONECT 6394 6392 +CONECT 6395 6396 6397 +CONECT 6396 6395 +CONECT 6397 6395 +CONECT 6398 6399 6400 +CONECT 6399 6398 +CONECT 6400 6398 +CONECT 6401 6402 6403 +CONECT 6402 6401 +CONECT 6403 6401 +CONECT 6404 6405 6406 +CONECT 6405 6404 +CONECT 6406 6404 +CONECT 6407 6408 6409 +CONECT 6408 6407 +CONECT 6409 6407 +CONECT 6410 6411 6412 +CONECT 6411 6410 +CONECT 6412 6410 +CONECT 6413 6414 6415 +CONECT 6414 6413 +CONECT 6415 6413 +CONECT 6416 6417 6418 +CONECT 6417 6416 +CONECT 6418 6416 +CONECT 6419 6420 6421 +CONECT 6420 6419 +CONECT 6421 6419 +CONECT 6422 6423 6424 +CONECT 6423 6422 +CONECT 6424 6422 +CONECT 6425 6426 6427 +CONECT 6426 6425 +CONECT 6427 6425 +CONECT 6428 6429 6430 +CONECT 6429 6428 +CONECT 6430 6428 +CONECT 6431 6432 6433 +CONECT 6432 6431 +CONECT 6433 6431 +CONECT 6434 6435 6436 +CONECT 6435 6434 +CONECT 6436 6434 +CONECT 6437 6438 6439 +CONECT 6438 6437 +CONECT 6439 6437 +CONECT 6440 6441 6442 +CONECT 6441 6440 +CONECT 6442 6440 +CONECT 6443 6444 6445 +CONECT 6444 6443 +CONECT 6445 6443 +CONECT 6446 6447 6448 +CONECT 6447 6446 +CONECT 6448 6446 +CONECT 6449 6450 6451 +CONECT 6450 6449 +CONECT 6451 6449 +CONECT 6452 6453 6454 +CONECT 6453 6452 +CONECT 6454 6452 +CONECT 6455 6456 6457 +CONECT 6456 6455 +CONECT 6457 6455 +CONECT 6458 6459 6460 +CONECT 6459 6458 +CONECT 6460 6458 +CONECT 6461 6462 6463 +CONECT 6462 6461 +CONECT 6463 6461 +CONECT 6464 6465 6466 +CONECT 6465 6464 +CONECT 6466 6464 +CONECT 6467 6468 6469 +CONECT 6468 6467 +CONECT 6469 6467 +CONECT 6470 6471 6472 +CONECT 6471 6470 +CONECT 6472 6470 +CONECT 6473 6474 6475 +CONECT 6474 6473 +CONECT 6475 6473 +CONECT 6476 6477 6478 +CONECT 6477 6476 +CONECT 6478 6476 +CONECT 6479 6480 6481 +CONECT 6480 6479 +CONECT 6481 6479 +CONECT 6482 6483 6484 +CONECT 6483 6482 +CONECT 6484 6482 +CONECT 6485 6486 6487 +CONECT 6486 6485 +CONECT 6487 6485 +CONECT 6488 6489 6490 +CONECT 6489 6488 +CONECT 6490 6488 +CONECT 6491 6492 6493 +CONECT 6492 6491 +CONECT 6493 6491 +CONECT 6494 6495 6496 +CONECT 6495 6494 +CONECT 6496 6494 +CONECT 6497 6498 6499 +CONECT 6498 6497 +CONECT 6499 6497 +CONECT 6500 6501 6502 +CONECT 6501 6500 +CONECT 6502 6500 +CONECT 6503 6504 6505 +CONECT 6504 6503 +CONECT 6505 6503 +CONECT 6506 6507 6508 +CONECT 6507 6506 +CONECT 6508 6506 +CONECT 6509 6510 6511 +CONECT 6510 6509 +CONECT 6511 6509 +CONECT 6512 6513 6514 +CONECT 6513 6512 +CONECT 6514 6512 +CONECT 6515 6516 6517 +CONECT 6516 6515 +CONECT 6517 6515 +CONECT 6518 6519 6520 +CONECT 6519 6518 +CONECT 6520 6518 +CONECT 6521 6522 6523 +CONECT 6522 6521 +CONECT 6523 6521 +CONECT 6524 6525 6526 +CONECT 6525 6524 +CONECT 6526 6524 +CONECT 6527 6528 6529 +CONECT 6528 6527 +CONECT 6529 6527 +CONECT 6530 6531 6532 +CONECT 6531 6530 +CONECT 6532 6530 +CONECT 6533 6534 6535 +CONECT 6534 6533 +CONECT 6535 6533 +CONECT 6536 6537 6538 +CONECT 6537 6536 +CONECT 6538 6536 +CONECT 6539 6540 6541 +CONECT 6540 6539 +CONECT 6541 6539 +CONECT 6542 6543 6544 +CONECT 6543 6542 +CONECT 6544 6542 +CONECT 6545 6546 6547 +CONECT 6546 6545 +CONECT 6547 6545 +CONECT 6548 6549 6550 +CONECT 6549 6548 +CONECT 6550 6548 +CONECT 6551 6552 6553 +CONECT 6552 6551 +CONECT 6553 6551 +CONECT 6554 6555 6556 +CONECT 6555 6554 +CONECT 6556 6554 +CONECT 6557 6558 6559 +CONECT 6558 6557 +CONECT 6559 6557 +CONECT 6560 6561 6562 +CONECT 6561 6560 +CONECT 6562 6560 +CONECT 6563 6564 6565 +CONECT 6564 6563 +CONECT 6565 6563 +CONECT 6566 6567 6568 +CONECT 6567 6566 +CONECT 6568 6566 +CONECT 6569 6570 6571 +CONECT 6570 6569 +CONECT 6571 6569 +CONECT 6572 6573 6574 +CONECT 6573 6572 +CONECT 6574 6572 +CONECT 6575 6576 6577 +CONECT 6576 6575 +CONECT 6577 6575 +CONECT 6578 6579 6580 +CONECT 6579 6578 +CONECT 6580 6578 +CONECT 6581 6582 6583 +CONECT 6582 6581 +CONECT 6583 6581 +CONECT 6584 6585 6586 +CONECT 6585 6584 +CONECT 6586 6584 +CONECT 6587 6588 6589 +CONECT 6588 6587 +CONECT 6589 6587 +CONECT 6590 6591 6592 +CONECT 6591 6590 +CONECT 6592 6590 +CONECT 6593 6594 6595 +CONECT 6594 6593 +CONECT 6595 6593 +CONECT 6596 6597 6598 +CONECT 6597 6596 +CONECT 6598 6596 +END diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/system.top b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/system.top new file mode 100644 index 00000000..34904747 --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/system.top @@ -0,0 +1,49 @@ +[ defaults ] +; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ + 1 2 yes 0.500000 0.833333 + +[ atomtypes ] +;type, bondingtype, atomic_number, mass, charge, ptype, sigma, epsilon +2C 2C 6 12.01000000 0.00000000 A 3.39966950e-01 4.57729600e-01 +C C 6 12.01000000 0.00000000 A 3.39966950e-01 3.59824000e-01 +CT CT 6 12.01000000 0.00000000 A 3.39966950e-01 4.57729600e-01 +CX CX 6 12.01000000 0.00000000 A 3.39966950e-01 4.57729600e-01 +H H 1 1.00800000 0.00000000 A 1.06907850e-01 6.56888000e-02 +H1 H1 1 1.00800000 0.00000000 A 2.47135300e-01 6.56888000e-02 +HC HC 1 1.00800000 0.00000000 A 2.64953280e-01 6.56888000e-02 +N N 7 14.01000000 0.00000000 A 3.24999850e-01 7.11280000e-01 +O O 8 16.00000000 0.00000000 A 2.95992190e-01 8.78640000e-01 +OW 8 16.000000 0.00000000 A 0.315061 0.636386 +HW 1 1.008000 0.00000000 A 0.000000 0.00000 +K 19 39.10 0.0000 A 0.30379646 0.81036925 +F 9 19.00 0.0000 A 0.41034794 0.01407498 + +; Include additional topologies + +#include "long_peptide.itp" +#include "amber99.ff/tip3p.itp" + +[ moleculetype ] +; Name nrexcl +F 1 + +[ atoms ] +1 F 1 F F 1 -1.00000 + + +[ moleculetype ] +; Name nrexcl +K 1 + +[ atoms ] +1 K 1 K K 1 1.00000 + +[ system ] +Solvated (AAQAA)3 peptide + +[ molecules ] +; Compound nmols +peptide 1 +F 8 +K 8 +SOL 2133 \ No newline at end of file diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/system_hmr.top b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/system_hmr.top new file mode 100644 index 00000000..f313d4a7 --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/build_system/system_hmr.top @@ -0,0 +1,2052 @@ +; +; File system_hmr.top was generated +; By user: lenny (1000) +; On host:DESKTOP-HTCAJ46 +; At date:Fri. September 5 16:37:16 2023 +; +; This is a standalone topology file +; +; Created by: +; ParmEd: hmr_topology, VERSION4.1.0 +; Executable: hmr_topology +; Library dir: /usr/local/share/gromacs/top +; Command line: +; /home/lenny/anaconda3/envs/terphenyl/bin/hmr_topology -t system.top --hmr_ratio 3 -o system_hmr.top +; + +[ defaults ] +; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ +1 2 yes 0.5 0.833333 + +[ atomtypes ] +; name bond_type at.num mass charge ptype sigma epsilon +HC HC 1 1.008000 0.00000000 A 0.26495328 0.0656888 +CT CT 6 12.010000 0.00000000 A 0.33996695 0.4577296 +C C 6 12.010000 0.00000000 A 0.33996695 0.359824 +O O 8 16.000000 0.00000000 A 0.29599219 0.87864 +N N 7 14.010000 0.00000000 A 0.32499985 0.71128 +H H 1 1.008000 0.00000000 A 0.10690785 0.0656888 +CX CX 6 12.010000 0.00000000 A 0.33996695 0.4577296 +H1 H1 1 1.008000 0.00000000 A 0.2471353 0.0656888 +2C 2C 6 12.010000 0.00000000 A 0.33996695 0.4577296 +F F 9 19.000000 0.00000000 A 0.41034794 0.01407498 +K K 19 39.100000 0.00000000 A 0.30379646 0.81036925 +OW OW 8 16.000000 0.00000000 A 0.315061 0.636386 +HW HW 1 1.008000 0.00000000 A 0 0 + + +[ moleculetype ] +; Name nrexcl +system1 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 ACE rtp ACE q 0.0 + 1 HC 1 ACE H1 1 0.11230000 3.024000 ; qtot 0.112300 + 2 CT 1 ACE CH3 2 -0.36620000 5.962000 ; qtot -0.253900 + 3 HC 1 ACE H2 3 0.11230000 3.024000 ; qtot -0.141600 + 4 HC 1 ACE H3 4 0.11230000 3.024000 ; qtot -0.029300 + 5 C 1 ACE C 5 0.59720000 12.010000 ; qtot 0.567900 + 6 O 1 ACE O 6 -0.56790000 16.000000 ; qtot 0.000000 +; residue 2 ALA rtp ALA q 0.0 + 7 N 2 ALA N 7 -0.41570000 11.994000 ; qtot -0.415700 + 8 H 2 ALA H 8 0.27190000 3.024000 ; qtot -0.143800 + 9 CX 2 ALA CA 9 0.03370000 9.994000 ; qtot -0.110100 + 10 H1 2 ALA HA 10 0.08230000 3.024000 ; qtot -0.027800 + 11 CT 2 ALA CB 11 -0.18250000 5.962000 ; qtot -0.210300 + 12 HC 2 ALA HB1 12 0.06030000 3.024000 ; qtot -0.150000 + 13 HC 2 ALA HB2 13 0.06030000 3.024000 ; qtot -0.089700 + 14 HC 2 ALA HB3 14 0.06030000 3.024000 ; qtot -0.029400 + 15 C 2 ALA C 15 0.59730000 12.010000 ; qtot 0.567900 + 16 O 2 ALA O 16 -0.56790000 16.000000 ; qtot 0.000000 +; residue 3 ALA rtp ALA q 0.0 + 17 N 3 ALA N 17 -0.41570000 11.994000 ; qtot -0.415700 + 18 H 3 ALA H 18 0.27190000 3.024000 ; qtot -0.143800 + 19 CX 3 ALA CA 19 0.03370000 9.994000 ; qtot -0.110100 + 20 H1 3 ALA HA 20 0.08230000 3.024000 ; qtot -0.027800 + 21 CT 3 ALA CB 21 -0.18250000 5.962000 ; qtot -0.210300 + 22 HC 3 ALA HB1 22 0.06030000 3.024000 ; qtot -0.150000 + 23 HC 3 ALA HB2 23 0.06030000 3.024000 ; qtot -0.089700 + 24 HC 3 ALA HB3 24 0.06030000 3.024000 ; qtot -0.029400 + 25 C 3 ALA C 25 0.59730000 12.010000 ; qtot 0.567900 + 26 O 3 ALA O 26 -0.56790000 16.000000 ; qtot 0.000000 +; residue 4 GLN rtp GLN q 0.0 + 27 N 4 GLN N 27 -0.41570000 11.994000 ; qtot -0.415700 + 28 H 4 GLN H 28 0.27190000 3.024000 ; qtot -0.143800 + 29 CX 4 GLN CA 29 -0.00310000 9.994000 ; qtot -0.146900 + 30 H1 4 GLN HA 30 0.08500000 3.024000 ; qtot -0.061900 + 31 2C 4 GLN CB 31 -0.00360000 7.978000 ; qtot -0.065500 + 32 HC 4 GLN HB2 32 0.01710000 3.024000 ; qtot -0.048400 + 33 HC 4 GLN HB3 33 0.01710000 3.024000 ; qtot -0.031300 + 34 2C 4 GLN CG 34 -0.06450000 7.978000 ; qtot -0.095800 + 35 HC 4 GLN HG2 35 0.03520000 3.024000 ; qtot -0.060600 + 36 HC 4 GLN HG3 36 0.03520000 3.024000 ; qtot -0.025400 + 37 C 4 GLN CD 37 0.69510000 12.010000 ; qtot 0.669700 + 38 O 4 GLN OE1 38 -0.60860000 16.000000 ; qtot 0.061100 + 39 N 4 GLN NE2 39 -0.94070000 9.978000 ; qtot -0.879600 + 40 H 4 GLN HE21 40 0.42510000 3.024000 ; qtot -0.454500 + 41 H 4 GLN HE22 41 0.42510000 3.024000 ; qtot -0.029400 + 42 C 4 GLN C 42 0.59730000 12.010000 ; qtot 0.567900 + 43 O 4 GLN O 43 -0.56790000 16.000000 ; qtot 0.000000 +; residue 5 ALA rtp ALA q 0.0 + 44 N 5 ALA N 44 -0.41570000 11.994000 ; qtot -0.415700 + 45 H 5 ALA H 45 0.27190000 3.024000 ; qtot -0.143800 + 46 CX 5 ALA CA 46 0.03370000 9.994000 ; qtot -0.110100 + 47 H1 5 ALA HA 47 0.08230000 3.024000 ; qtot -0.027800 + 48 CT 5 ALA CB 48 -0.18250000 5.962000 ; qtot -0.210300 + 49 HC 5 ALA HB1 49 0.06030000 3.024000 ; qtot -0.150000 + 50 HC 5 ALA HB2 50 0.06030000 3.024000 ; qtot -0.089700 + 51 HC 5 ALA HB3 51 0.06030000 3.024000 ; qtot -0.029400 + 52 C 5 ALA C 52 0.59730000 12.010000 ; qtot 0.567900 + 53 O 5 ALA O 53 -0.56790000 16.000000 ; qtot 0.000000 +; residue 6 ALA rtp ALA q 0.0 + 54 N 6 ALA N 54 -0.41570000 11.994000 ; qtot -0.415700 + 55 H 6 ALA H 55 0.27190000 3.024000 ; qtot -0.143800 + 56 CX 6 ALA CA 56 0.03370000 9.994000 ; qtot -0.110100 + 57 H1 6 ALA HA 57 0.08230000 3.024000 ; qtot -0.027800 + 58 CT 6 ALA CB 58 -0.18250000 5.962000 ; qtot -0.210300 + 59 HC 6 ALA HB1 59 0.06030000 3.024000 ; qtot -0.150000 + 60 HC 6 ALA HB2 60 0.06030000 3.024000 ; qtot -0.089700 + 61 HC 6 ALA HB3 61 0.06030000 3.024000 ; qtot -0.029400 + 62 C 6 ALA C 62 0.59730000 12.010000 ; qtot 0.567900 + 63 O 6 ALA O 63 -0.56790000 16.000000 ; qtot 0.000000 +; residue 7 ALA rtp ALA q 0.0 + 64 N 7 ALA N 64 -0.41570000 11.994000 ; qtot -0.415700 + 65 H 7 ALA H 65 0.27190000 3.024000 ; qtot -0.143800 + 66 CX 7 ALA CA 66 0.03370000 9.994000 ; qtot -0.110100 + 67 H1 7 ALA HA 67 0.08230000 3.024000 ; qtot -0.027800 + 68 CT 7 ALA CB 68 -0.18250000 5.962000 ; qtot -0.210300 + 69 HC 7 ALA HB1 69 0.06030000 3.024000 ; qtot -0.150000 + 70 HC 7 ALA HB2 70 0.06030000 3.024000 ; qtot -0.089700 + 71 HC 7 ALA HB3 71 0.06030000 3.024000 ; qtot -0.029400 + 72 C 7 ALA C 72 0.59730000 12.010000 ; qtot 0.567900 + 73 O 7 ALA O 73 -0.56790000 16.000000 ; qtot 0.000000 +; residue 8 ALA rtp ALA q 0.0 + 74 N 8 ALA N 74 -0.41570000 11.994000 ; qtot -0.415700 + 75 H 8 ALA H 75 0.27190000 3.024000 ; qtot -0.143800 + 76 CX 8 ALA CA 76 0.03370000 9.994000 ; qtot -0.110100 + 77 H1 8 ALA HA 77 0.08230000 3.024000 ; qtot -0.027800 + 78 CT 8 ALA CB 78 -0.18250000 5.962000 ; qtot -0.210300 + 79 HC 8 ALA HB1 79 0.06030000 3.024000 ; qtot -0.150000 + 80 HC 8 ALA HB2 80 0.06030000 3.024000 ; qtot -0.089700 + 81 HC 8 ALA HB3 81 0.06030000 3.024000 ; qtot -0.029400 + 82 C 8 ALA C 82 0.59730000 12.010000 ; qtot 0.567900 + 83 O 8 ALA O 83 -0.56790000 16.000000 ; qtot 0.000000 +; residue 9 GLN rtp GLN q 0.0 + 84 N 9 GLN N 84 -0.41570000 11.994000 ; qtot -0.415700 + 85 H 9 GLN H 85 0.27190000 3.024000 ; qtot -0.143800 + 86 CX 9 GLN CA 86 -0.00310000 9.994000 ; qtot -0.146900 + 87 H1 9 GLN HA 87 0.08500000 3.024000 ; qtot -0.061900 + 88 2C 9 GLN CB 88 -0.00360000 7.978000 ; qtot -0.065500 + 89 HC 9 GLN HB2 89 0.01710000 3.024000 ; qtot -0.048400 + 90 HC 9 GLN HB3 90 0.01710000 3.024000 ; qtot -0.031300 + 91 2C 9 GLN CG 91 -0.06450000 7.978000 ; qtot -0.095800 + 92 HC 9 GLN HG2 92 0.03520000 3.024000 ; qtot -0.060600 + 93 HC 9 GLN HG3 93 0.03520000 3.024000 ; qtot -0.025400 + 94 C 9 GLN CD 94 0.69510000 12.010000 ; qtot 0.669700 + 95 O 9 GLN OE1 95 -0.60860000 16.000000 ; qtot 0.061100 + 96 N 9 GLN NE2 96 -0.94070000 9.978000 ; qtot -0.879600 + 97 H 9 GLN HE21 97 0.42510000 3.024000 ; qtot -0.454500 + 98 H 9 GLN HE22 98 0.42510000 3.024000 ; qtot -0.029400 + 99 C 9 GLN C 99 0.59730000 12.010000 ; qtot 0.567900 + 100 O 9 GLN O 100 -0.56790000 16.000000 ; qtot 0.000000 +; residue 10 ALA rtp ALA q 0.0 + 101 N 10 ALA N 101 -0.41570000 11.994000 ; qtot -0.415700 + 102 H 10 ALA H 102 0.27190000 3.024000 ; qtot -0.143800 + 103 CX 10 ALA CA 103 0.03370000 9.994000 ; qtot -0.110100 + 104 H1 10 ALA HA 104 0.08230000 3.024000 ; qtot -0.027800 + 105 CT 10 ALA CB 105 -0.18250000 5.962000 ; qtot -0.210300 + 106 HC 10 ALA HB1 106 0.06030000 3.024000 ; qtot -0.150000 + 107 HC 10 ALA HB2 107 0.06030000 3.024000 ; qtot -0.089700 + 108 HC 10 ALA HB3 108 0.06030000 3.024000 ; qtot -0.029400 + 109 C 10 ALA C 109 0.59730000 12.010000 ; qtot 0.567900 + 110 O 10 ALA O 110 -0.56790000 16.000000 ; qtot 0.000000 +; residue 11 ALA rtp ALA q 0.0 + 111 N 11 ALA N 111 -0.41570000 11.994000 ; qtot -0.415700 + 112 H 11 ALA H 112 0.27190000 3.024000 ; qtot -0.143800 + 113 CX 11 ALA CA 113 0.03370000 9.994000 ; qtot -0.110100 + 114 H1 11 ALA HA 114 0.08230000 3.024000 ; qtot -0.027800 + 115 CT 11 ALA CB 115 -0.18250000 5.962000 ; qtot -0.210300 + 116 HC 11 ALA HB1 116 0.06030000 3.024000 ; qtot -0.150000 + 117 HC 11 ALA HB2 117 0.06030000 3.024000 ; qtot -0.089700 + 118 HC 11 ALA HB3 118 0.06030000 3.024000 ; qtot -0.029400 + 119 C 11 ALA C 119 0.59730000 12.010000 ; qtot 0.567900 + 120 O 11 ALA O 120 -0.56790000 16.000000 ; qtot 0.000000 +; residue 12 ALA rtp ALA q 0.0 + 121 N 12 ALA N 121 -0.41570000 11.994000 ; qtot -0.415700 + 122 H 12 ALA H 122 0.27190000 3.024000 ; qtot -0.143800 + 123 CX 12 ALA CA 123 0.03370000 9.994000 ; qtot -0.110100 + 124 H1 12 ALA HA 124 0.08230000 3.024000 ; qtot -0.027800 + 125 CT 12 ALA CB 125 -0.18250000 5.962000 ; qtot -0.210300 + 126 HC 12 ALA HB1 126 0.06030000 3.024000 ; qtot -0.150000 + 127 HC 12 ALA HB2 127 0.06030000 3.024000 ; qtot -0.089700 + 128 HC 12 ALA HB3 128 0.06030000 3.024000 ; qtot -0.029400 + 129 C 12 ALA C 129 0.59730000 12.010000 ; qtot 0.567900 + 130 O 12 ALA O 130 -0.56790000 16.000000 ; qtot 0.000000 +; residue 13 ALA rtp ALA q 0.0 + 131 N 13 ALA N 131 -0.41570000 11.994000 ; qtot -0.415700 + 132 H 13 ALA H 132 0.27190000 3.024000 ; qtot -0.143800 + 133 CX 13 ALA CA 133 0.03370000 9.994000 ; qtot -0.110100 + 134 H1 13 ALA HA 134 0.08230000 3.024000 ; qtot -0.027800 + 135 CT 13 ALA CB 135 -0.18250000 5.962000 ; qtot -0.210300 + 136 HC 13 ALA HB1 136 0.06030000 3.024000 ; qtot -0.150000 + 137 HC 13 ALA HB2 137 0.06030000 3.024000 ; qtot -0.089700 + 138 HC 13 ALA HB3 138 0.06030000 3.024000 ; qtot -0.029400 + 139 C 13 ALA C 139 0.59730000 12.010000 ; qtot 0.567900 + 140 O 13 ALA O 140 -0.56790000 16.000000 ; qtot 0.000000 +; residue 14 GLN rtp GLN q 0.0 + 141 N 14 GLN N 141 -0.41570000 11.994000 ; qtot -0.415700 + 142 H 14 GLN H 142 0.27190000 3.024000 ; qtot -0.143800 + 143 CX 14 GLN CA 143 -0.00310000 9.994000 ; qtot -0.146900 + 144 H1 14 GLN HA 144 0.08500000 3.024000 ; qtot -0.061900 + 145 2C 14 GLN CB 145 -0.00360000 7.978000 ; qtot -0.065500 + 146 HC 14 GLN HB2 146 0.01710000 3.024000 ; qtot -0.048400 + 147 HC 14 GLN HB3 147 0.01710000 3.024000 ; qtot -0.031300 + 148 2C 14 GLN CG 148 -0.06450000 7.978000 ; qtot -0.095800 + 149 HC 14 GLN HG2 149 0.03520000 3.024000 ; qtot -0.060600 + 150 HC 14 GLN HG3 150 0.03520000 3.024000 ; qtot -0.025400 + 151 C 14 GLN CD 151 0.69510000 12.010000 ; qtot 0.669700 + 152 O 14 GLN OE1 152 -0.60860000 16.000000 ; qtot 0.061100 + 153 N 14 GLN NE2 153 -0.94070000 9.978000 ; qtot -0.879600 + 154 H 14 GLN HE21 154 0.42510000 3.024000 ; qtot -0.454500 + 155 H 14 GLN HE22 155 0.42510000 3.024000 ; qtot -0.029400 + 156 C 14 GLN C 156 0.59730000 12.010000 ; qtot 0.567900 + 157 O 14 GLN O 157 -0.56790000 16.000000 ; qtot 0.000000 +; residue 15 ALA rtp ALA q 0.0 + 158 N 15 ALA N 158 -0.41570000 11.994000 ; qtot -0.415700 + 159 H 15 ALA H 159 0.27190000 3.024000 ; qtot -0.143800 + 160 CX 15 ALA CA 160 0.03370000 9.994000 ; qtot -0.110100 + 161 H1 15 ALA HA 161 0.08230000 3.024000 ; qtot -0.027800 + 162 CT 15 ALA CB 162 -0.18250000 5.962000 ; qtot -0.210300 + 163 HC 15 ALA HB1 163 0.06030000 3.024000 ; qtot -0.150000 + 164 HC 15 ALA HB2 164 0.06030000 3.024000 ; qtot -0.089700 + 165 HC 15 ALA HB3 165 0.06030000 3.024000 ; qtot -0.029400 + 166 C 15 ALA C 166 0.59730000 12.010000 ; qtot 0.567900 + 167 O 15 ALA O 167 -0.56790000 16.000000 ; qtot 0.000000 +; residue 16 ALA rtp ALA q 0.0 + 168 N 16 ALA N 168 -0.41570000 11.994000 ; qtot -0.415700 + 169 H 16 ALA H 169 0.27190000 3.024000 ; qtot -0.143800 + 170 CX 16 ALA CA 170 0.03370000 9.994000 ; qtot -0.110100 + 171 H1 16 ALA HA 171 0.08230000 3.024000 ; qtot -0.027800 + 172 CT 16 ALA CB 172 -0.18250000 5.962000 ; qtot -0.210300 + 173 HC 16 ALA HB1 173 0.06030000 3.024000 ; qtot -0.150000 + 174 HC 16 ALA HB2 174 0.06030000 3.024000 ; qtot -0.089700 + 175 HC 16 ALA HB3 175 0.06030000 3.024000 ; qtot -0.029400 + 176 C 16 ALA C 176 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] +; Name nrexcl +K 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 K rtp K q 1.0 + 1 K 1 K K 1 1.00000000 39.100000 ; qtot 1.000000 + + +[ moleculetype ] +; Name nrexcl +SOL 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 SOL rtp SOL q 0.0 + 1 OW 1 SOL OW 1 -0.83400000 11.968000 ; qtot -0.834000 + 2 HW 1 SOL HW1 2 0.41700000 3.024000 ; qtot -0.417000 + 3 HW 1 SOL HW2 3 0.41700000 3.024000 ; qtot 0.000000 + +#ifdef FLEXIBLE + +[ bonds ] +; ai aj funct c0 c1 c2 c3 + 1 2 1 0.09572 502416.000000 + 1 3 1 0.09572 502416.000000 + +[ angles ] +; ai aj ak funct c0 c1 c2 c3 + 2 1 3 1 104.5200000 628.020000 + + +#else + +[ settles ] +; i funct doh dhh +1 1 0.09572000 0.15139007 + +#endif + +[ exclusions ] +1 2 3 +2 1 3 +3 1 2 + +[ system ] +; Name +Solvated (AAQAA)3 peptide + +[ molecules ] +; Compound #mols +system1 1 +F 8 +K 8 +SOL 2133 diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/em_solvated.gro b/simulations/helical_peptide_control/md/long_peptide/t_250/em_solvated.gro new file mode 100644 index 00000000..616a450b --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/em_solvated.gro @@ -0,0 +1,6601 @@ +Solvated (AAQAA)3 peptide + 6598 + 1ACE H1 1 3.073 4.347 2.849 + 1ACE CH3 2 3.084 4.329 2.742 + 1ACE H2 3 3.160 4.396 2.701 + 1ACE H3 4 2.989 4.349 2.692 + 1ACE C 5 3.122 4.185 2.719 + 1ACE O 6 3.039 4.105 2.679 + 2ALA N 7 3.249 4.153 2.744 + 2ALA H 8 3.310 4.226 2.775 + 2ALA CA 9 3.308 4.024 2.705 + 2ALA HA 10 3.248 3.981 2.624 + 2ALA CB 11 3.448 4.053 2.647 + 2ALA HB1 12 3.492 3.959 2.612 + 2ALA HB2 13 3.439 4.121 2.563 + 2ALA HB3 14 3.512 4.097 2.724 + 2ALA C 15 3.313 3.918 2.817 + 2ALA O 16 3.269 3.805 2.795 + 3ALA N 17 3.365 3.952 2.936 + 3ALA H 18 3.400 4.045 2.949 + 3ALA CA 19 3.392 3.851 3.040 + 3ALA HA 20 3.463 3.778 2.999 + 3ALA CB 21 3.461 3.921 3.158 + 3ALA HB1 22 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HW1 4617 1.089 2.038 4.091 + 1506SOL HW2 4618 1.018 2.022 4.223 + 1507SOL OW 4619 5.452 5.332 3.202 + 1507SOL HW1 4620 5.470 5.412 3.251 + 1507SOL HW2 4621 5.376 5.293 3.245 + 1508SOL OW 4622 1.023 2.988 5.279 + 1508SOL HW1 4623 1.026 3.036 5.196 + 1508SOL HW2 4624 1.111 2.952 5.290 + 1509SOL OW 4625 5.196 5.017 5.603 + 1509SOL HW1 4626 5.142 5.073 5.546 + 1509SOL HW2 4627 5.211 5.070 5.681 + 1510SOL OW 4628 3.846 4.656 5.609 + 1510SOL HW1 4629 3.774 4.718 5.597 + 1510SOL HW2 4630 3.855 4.613 5.524 + 1511SOL OW 4631 2.803 1.274 1.240 + 1511SOL HW1 4632 2.848 1.226 1.309 + 1511SOL HW2 4633 2.829 1.366 1.254 + 1512SOL OW 4634 3.223 5.475 5.179 + 1512SOL HW1 4635 3.172 5.434 5.249 + 1512SOL HW2 4636 3.282 5.406 5.148 + 1513SOL OW 4637 2.279 3.567 2.135 + 1513SOL HW1 4638 2.316 3.625 2.068 + 1513SOL HW2 4639 2.314 3.481 2.114 + 1514SOL OW 4640 4.926 4.718 5.320 + 1514SOL HW1 4641 4.895 4.640 5.366 + 1514SOL HW2 4642 4.857 4.737 5.257 + 1515SOL OW 4643 4.236 2.324 2.981 + 1515SOL HW1 4644 4.269 2.368 3.059 + 1515SOL HW2 4645 4.289 2.359 2.909 + 1516SOL OW 4646 4.513 5.554 2.768 + 1516SOL HW1 4647 4.565 5.509 2.702 + 1516SOL HW2 4648 4.561 5.540 2.850 + 1517SOL OW 4649 2.212 5.435 2.599 + 1517SOL HW1 4650 2.170 5.506 2.647 + 1517SOL HW2 4651 2.272 5.395 2.661 + 1518SOL OW 4652 4.602 5.699 3.733 + 1518SOL HW1 4653 4.544 5.647 3.789 + 1518SOL HW2 4654 4.544 5.743 3.672 + 1519SOL OW 4655 4.438 3.548 2.130 + 1519SOL HW1 4656 4.343 3.544 2.116 + 1519SOL HW2 4657 4.460 3.640 2.115 + 1520SOL OW 4658 5.054 1.717 5.703 + 1520SOL HW1 4659 5.051 1.652 5.773 + 1520SOL HW2 4660 5.109 1.678 5.636 + 1521SOL OW 4661 4.462 5.403 4.758 + 1521SOL HW1 4662 4.403 5.345 4.806 + 1521SOL HW2 4663 4.492 5.466 4.823 + 1522SOL OW 4664 5.040 1.886 3.899 + 1522SOL HW1 4665 5.086 1.806 3.923 + 1522SOL HW2 4666 5.080 1.914 3.817 + 1523SOL OW 4667 4.991 4.949 4.857 + 1523SOL HW1 4668 5.082 4.934 4.832 + 1523SOL HW2 4669 4.995 4.969 4.951 + 1524SOL OW 4670 5.516 4.312 4.614 + 1524SOL HW1 4671 5.537 4.403 4.635 + 1524SOL HW2 4672 5.438 4.317 4.559 + 1525SOL OW 4673 1.819 1.538 4.107 + 1525SOL HW1 4674 1.777 1.605 4.053 + 1525SOL HW2 4675 1.777 1.456 4.081 + 1526SOL OW 4676 2.500 0.052 4.278 + 1526SOL HW1 4677 2.485 0.061 4.184 + 1526SOL HW2 4678 2.546 0.132 4.304 + 1527SOL OW 4679 1.640 3.222 3.513 + 1527SOL HW1 4680 1.637 3.238 3.608 + 1527SOL HW2 4681 1.568 3.161 3.497 + 1528SOL OW 4682 3.934 5.044 4.690 + 1528SOL HW1 4683 3.892 5.129 4.678 + 1528SOL HW2 4684 3.862 4.981 4.682 + 1529SOL OW 4685 5.245 3.278 2.972 + 1529SOL HW1 4686 5.326 3.267 2.923 + 1529SOL HW2 4687 5.223 3.190 3.004 + 1530SOL OW 4688 1.176 0.963 0.757 + 1530SOL HW1 4689 1.126 0.931 0.833 + 1530SOL HW2 4690 1.217 1.044 0.788 + 1531SOL OW 4691 3.832 0.391 0.162 + 1531SOL HW1 4692 3.787 0.355 0.239 + 1531SOL HW2 4693 3.885 0.462 0.197 + 1532SOL OW 4694 1.593 0.850 2.275 + 1532SOL HW1 4695 1.681 0.817 2.294 + 1532SOL HW2 4696 1.598 0.881 2.184 + 1533SOL OW 4697 1.104 4.347 1.543 + 1533SOL HW1 4698 1.179 4.395 1.578 + 1533SOL HW2 4699 1.087 4.389 1.458 + 1534SOL OW 4700 3.439 0.097 5.075 + 1534SOL HW1 4701 3.375 0.164 5.051 + 1534SOL HW2 4702 3.467 0.122 5.163 + 1535SOL OW 4703 2.674 2.660 4.480 + 1535SOL HW1 4704 2.653 2.607 4.404 + 1535SOL HW2 4705 2.721 2.736 4.444 + 1536SOL OW 4706 2.946 4.384 1.419 + 1536SOL HW1 4707 2.985 4.312 1.469 + 1536SOL HW2 4708 2.853 4.362 1.414 + 1537SOL OW 4709 0.748 2.919 2.081 + 1537SOL HW1 4710 0.775 2.903 2.172 + 1537SOL HW2 4711 0.735 3.014 2.077 + 1538SOL OW 4712 4.492 3.905 4.933 + 1538SOL HW1 4713 4.421 3.937 4.988 + 1538SOL HW2 4714 4.569 3.955 4.962 + 1539SOL OW 4715 5.327 4.943 4.204 + 1539SOL HW1 4716 5.334 4.971 4.296 + 1539SOL HW2 4717 5.245 4.983 4.173 + 1540SOL OW 4718 3.539 1.670 3.436 + 1540SOL HW1 4719 3.622 1.701 3.400 + 1540SOL HW2 4720 3.488 1.644 3.359 + 1541SOL OW 4721 3.191 2.555 0.562 + 1541SOL HW1 4722 3.138 2.563 0.641 + 1541SOL HW2 4723 3.130 2.570 0.490 + 1542SOL OW 4724 2.589 4.935 4.513 + 1542SOL HW1 4725 2.674 4.895 4.497 + 1542SOL HW2 4726 2.525 4.873 4.478 + 1543SOL OW 4727 5.077 4.920 5.131 + 1543SOL HW1 4728 5.071 4.831 5.098 + 1543SOL HW2 4729 5.128 4.913 5.212 + 1544SOL OW 4730 4.553 1.288 3.508 + 1544SOL HW1 4731 4.580 1.352 3.573 + 1544SOL HW2 4732 4.558 1.204 3.554 + 1545SOL OW 4733 4.795 1.481 0.832 + 1545SOL HW1 4734 4.867 1.517 0.779 + 1545SOL HW2 4735 4.787 1.390 0.802 + 1546SOL OW 4736 3.490 5.256 4.538 + 1546SOL HW1 4737 3.444 5.339 4.531 + 1546SOL HW2 4738 3.488 5.220 4.449 + 1547SOL OW 4739 4.425 5.816 5.083 + 1547SOL HW1 4740 4.441 5.846 5.173 + 1547SOL HW2 4741 4.338 5.850 5.062 + 1548SOL OW 4742 3.295 4.647 2.638 + 1548SOL HW1 4743 3.356 4.622 2.568 + 1548SOL HW2 4744 3.299 4.743 2.639 + 1549SOL OW 4745 3.728 1.790 0.980 + 1549SOL HW1 4746 3.671 1.762 1.051 + 1549SOL HW2 4747 3.797 1.840 1.023 + 1550SOL OW 4748 3.162 2.121 4.492 + 1550SOL HW1 4749 3.179 2.185 4.562 + 1550SOL HW2 4750 3.238 2.063 4.495 + 1551SOL OW 4751 1.748 3.201 1.062 + 1551SOL HW1 4752 1.692 3.164 0.993 + 1551SOL HW2 4753 1.694 3.194 1.141 + 1552SOL OW 4754 2.467 3.240 4.605 + 1552SOL HW1 4755 2.437 3.326 4.634 + 1552SOL HW2 4756 2.512 3.203 4.681 + 1553SOL OW 4757 0.646 1.903 1.758 + 1553SOL HW1 4758 0.594 1.933 1.683 + 1553SOL HW2 4759 0.634 1.970 1.825 + 1554SOL OW 4760 1.176 5.537 4.320 + 1554SOL HW1 4761 1.112 5.477 4.282 + 1554SOL HW2 4762 1.189 5.604 4.253 + 1555SOL OW 4763 3.529 5.868 4.927 + 1555SOL HW1 4764 3.480 5.804 4.979 + 1555SOL HW2 4765 3.512 5.952 4.970 + 1556SOL OW 4766 1.977 3.485 3.845 + 1556SOL HW1 4767 1.928 3.545 3.789 + 1556SOL HW2 4768 2.067 3.490 3.812 + 1557SOL OW 4769 1.433 2.707 5.066 + 1557SOL HW1 4770 1.513 2.731 5.113 + 1557SOL HW2 4771 1.463 2.679 4.979 + 1558SOL OW 4772 1.079 1.901 5.291 + 1558SOL HW1 4773 1.042 1.818 5.261 + 1558SOL HW2 4774 1.136 1.876 5.364 + 1559SOL OW 4775 4.824 4.357 2.589 + 1559SOL HW1 4776 4.836 4.313 2.505 + 1559SOL HW2 4777 4.904 4.335 2.638 + 1560SOL OW 4778 3.501 4.870 1.685 + 1560SOL HW1 4779 3.474 4.942 1.628 + 1560SOL HW2 4780 3.462 4.792 1.646 + 1561SOL OW 4781 3.935 1.019 2.660 + 1561SOL HW1 4782 3.941 0.930 2.625 + 1561SOL HW2 4783 3.879 1.010 2.737 + 1562SOL OW 4784 1.372 1.759 5.792 + 1562SOL HW1 4785 1.364 1.758 5.888 + 1562SOL HW2 4786 1.287 1.791 5.761 + 1563SOL OW 4787 1.030 5.028 5.552 + 1563SOL HW1 4788 1.108 4.976 5.533 + 1563SOL HW2 4789 0.990 5.044 5.467 + 1564SOL OW 4790 4.582 0.218 2.246 + 1564SOL HW1 4791 4.599 0.235 2.339 + 1564SOL HW2 4792 4.498 0.172 2.245 + 1565SOL OW 4793 5.459 1.105 4.394 + 1565SOL HW1 4794 5.430 1.195 4.404 + 1565SOL HW2 4795 5.544 1.102 4.439 + 1566SOL OW 4796 4.911 4.000 1.865 + 1566SOL HW1 4797 4.901 4.056 1.943 + 1566SOL HW2 4798 5.005 3.997 1.850 + 1567SOL OW 4799 1.928 1.520 3.741 + 1567SOL HW1 4800 2.011 1.551 3.776 + 1567SOL HW2 4801 1.943 1.427 3.723 + 1568SOL OW 4802 3.593 4.214 0.375 + 1568SOL HW1 4803 3.528 4.145 0.390 + 1568SOL HW2 4804 3.655 4.205 0.447 + 1569SOL OW 4805 2.125 3.875 4.098 + 1569SOL HW1 4806 2.195 3.815 4.124 + 1569SOL HW2 4807 2.149 3.959 4.137 + 1570SOL OW 4808 5.160 3.829 2.388 + 1570SOL HW1 4809 5.253 3.831 2.367 + 1570SOL HW2 4810 5.151 3.889 2.462 + 1571SOL OW 4811 0.071 5.083 4.302 + 1571SOL HW1 4812 0.035 5.160 4.258 + 1571SOL HW2 4813 0.016 5.072 4.380 + 1572SOL OW 4814 0.652 3.174 1.998 + 1572SOL HW1 4815 0.703 3.178 1.917 + 1572SOL HW2 4816 0.567 3.141 1.971 + 1573SOL OW 4817 3.961 2.392 1.882 + 1573SOL HW1 4818 3.992 2.309 1.918 + 1573SOL HW2 4819 4.020 2.458 1.919 + 1574SOL OW 4820 1.000 3.841 0.883 + 1574SOL HW1 4821 0.990 3.896 0.960 + 1574SOL HW2 4822 1.034 3.758 0.917 + 1575SOL OW 4823 1.629 1.222 0.966 + 1575SOL HW1 4824 1.632 1.317 0.971 + 1575SOL HW2 4825 1.710 1.194 1.008 + 1576SOL OW 4826 0.871 5.892 0.541 + 1576SOL HW1 4827 0.881 5.804 0.504 + 1576SOL HW2 4828 0.779 5.914 0.527 + 1577SOL OW 4829 2.167 0.874 0.850 + 1577SOL HW1 4830 2.200 0.915 0.770 + 1577SOL HW2 4831 2.080 0.912 0.862 + 1578SOL OW 4832 4.581 1.833 0.990 + 1578SOL HW1 4833 4.597 1.778 0.914 + 1578SOL HW2 4834 4.610 1.920 0.963 + 1579SOL OW 4835 3.184 3.210 1.903 + 1579SOL HW1 4836 3.215 3.124 1.875 + 1579SOL HW2 4837 3.101 3.222 1.857 + 1580SOL OW 4838 5.962 1.266 1.403 + 1580SOL HW1 4839 5.877 1.289 1.441 + 1580SOL HW2 4840 5.979 1.177 1.434 + 1581SOL OW 4841 3.190 5.497 1.206 + 1581SOL HW1 4842 3.173 5.471 1.297 + 1581SOL HW2 4843 3.236 5.422 1.168 + 1582SOL OW 4844 5.427 0.064 3.055 + 1582SOL HW1 4845 5.376 0.145 3.056 + 1582SOL HW2 4846 5.515 0.090 3.082 + 1583SOL OW 4847 1.965 2.917 3.862 + 1583SOL HW1 4848 1.948 3.010 3.848 + 1583SOL HW2 4849 1.891 2.872 3.820 + 1584SOL OW 4850 4.875 5.911 0.341 + 1584SOL HW1 4851 4.962 5.938 0.312 + 1584SOL HW2 4852 4.815 5.949 0.276 + 1585SOL OW 4853 1.205 1.040 2.466 + 1585SOL HW1 4854 1.234 1.098 2.537 + 1585SOL HW2 4855 1.116 1.014 2.492 + 1586SOL OW 4856 4.844 5.556 0.854 + 1586SOL HW1 4857 4.843 5.535 0.948 + 1586SOL HW2 4858 4.771 5.505 0.818 + 1587SOL OW 4859 5.840 1.311 4.627 + 1587SOL HW1 4860 5.829 1.366 4.705 + 1587SOL HW2 4861 5.890 1.366 4.566 + 1588SOL OW 4862 5.331 5.077 2.644 + 1588SOL HW1 4863 5.293 5.151 2.597 + 1588SOL HW2 4864 5.421 5.104 2.663 + 1589SOL OW 4865 1.054 0.892 0.994 + 1589SOL HW1 4866 1.057 0.798 1.012 + 1589SOL HW2 4867 1.024 0.931 1.076 + 1590SOL OW 4868 0.849 0.789 4.726 + 1590SOL HW1 4869 0.859 0.699 4.695 + 1590SOL HW2 4870 0.939 0.820 4.738 + 1591SOL OW 4871 5.413 2.756 1.349 + 1591SOL HW1 4872 5.482 2.761 1.414 + 1591SOL HW2 4873 5.426 2.833 1.294 + 1592SOL OW 4874 2.336 1.870 0.682 + 1592SOL HW1 4875 2.398 1.813 0.637 + 1592SOL HW2 4876 2.331 1.949 0.628 + 1593SOL OW 4877 5.176 4.438 0.979 + 1593SOL HW1 4878 5.153 4.469 0.891 + 1593SOL HW2 4879 5.259 4.482 0.998 + 1594SOL OW 4880 5.545 3.056 1.523 + 1594SOL HW1 4881 5.486 3.083 1.452 + 1594SOL HW2 4882 5.568 2.966 1.500 + 1595SOL OW 4883 3.853 3.487 2.754 + 1595SOL HW1 4884 3.865 3.416 2.817 + 1595SOL HW2 4885 3.920 3.552 2.778 + 1596SOL OW 4886 4.111 0.387 4.366 + 1596SOL HW1 4887 4.061 0.420 4.441 + 1596SOL HW2 4888 4.149 0.465 4.326 + 1597SOL OW 4889 2.563 2.048 2.284 + 1597SOL HW1 4890 2.569 1.953 2.289 + 1597SOL HW2 4891 2.470 2.067 2.281 + 1598SOL OW 4892 3.956 1.060 5.892 + 1598SOL HW1 4893 3.919 1.015 5.967 + 1598SOL HW2 4894 4.041 1.092 5.923 + 1599SOL OW 4895 5.786 5.914 2.120 + 1599SOL HW1 4896 5.859 5.877 2.072 + 1599SOL HW2 4897 5.751 5.982 2.063 + 1600SOL OW 4898 2.620 5.744 1.965 + 1600SOL HW1 4899 2.709 5.710 1.950 + 1600SOL HW2 4900 2.563 5.678 1.925 + 1601SOL OW 4901 5.645 2.980 0.706 + 1601SOL HW1 4902 5.553 3.008 0.696 + 1601SOL HW2 4903 5.696 3.056 0.677 + 1602SOL OW 4904 3.477 3.637 1.070 + 1602SOL HW1 4905 3.516 3.682 1.144 + 1602SOL HW2 4906 3.417 3.701 1.032 + 1603SOL OW 4907 3.609 1.067 4.902 + 1603SOL HW1 4908 3.568 1.113 4.829 + 1603SOL HW2 4909 3.699 1.050 4.873 + 1604SOL OW 4910 1.096 0.476 5.887 + 1604SOL HW1 4911 1.027 0.510 5.944 + 1604SOL HW2 4912 1.177 0.489 5.937 + 1605SOL OW 4913 4.892 5.308 2.280 + 1605SOL HW1 4914 4.940 5.226 2.287 + 1605SOL HW2 4915 4.887 5.325 2.186 + 1606SOL OW 4916 0.948 4.738 2.614 + 1606SOL HW1 4917 0.906 4.721 2.530 + 1606SOL HW2 4918 0.925 4.663 2.669 + 1607SOL OW 4919 4.772 3.078 5.137 + 1607SOL HW1 4920 4.836 3.067 5.208 + 1607SOL HW2 4921 4.757 3.172 5.134 + 1608SOL OW 4922 1.986 5.039 5.245 + 1608SOL HW1 4923 2.048 4.968 5.263 + 1608SOL HW2 4924 2.035 5.119 5.267 + 1609SOL OW 4925 4.126 5.901 3.851 + 1609SOL HW1 4926 4.173 5.923 3.771 + 1609SOL HW2 4927 4.034 5.903 3.826 + 1610SOL OW 4928 4.639 2.271 2.892 + 1610SOL HW1 4929 4.687 2.207 2.945 + 1610SOL HW2 4930 4.706 2.331 2.859 + 1611SOL OW 4931 2.275 1.970 4.391 + 1611SOL HW1 4932 2.329 2.048 4.380 + 1611SOL HW2 4933 2.223 1.987 4.469 + 1612SOL OW 4934 0.249 5.112 1.367 + 1612SOL HW1 4935 0.332 5.156 1.349 + 1612SOL HW2 4936 0.273 5.020 1.383 + 1613SOL OW 4937 4.601 0.337 1.253 + 1613SOL HW1 4938 4.579 0.252 1.214 + 1613SOL HW2 4939 4.601 0.320 1.347 + 1614SOL OW 4940 3.659 4.107 4.473 + 1614SOL HW1 4941 3.638 4.123 4.381 + 1614SOL HW2 4942 3.741 4.059 4.471 + 1615SOL OW 4943 2.120 1.516 4.725 + 1615SOL HW1 4944 2.170 1.499 4.805 + 1615SOL HW2 4945 2.177 1.573 4.673 + 1616SOL OW 4946 0.825 2.901 2.350 + 1616SOL HW1 4947 0.875 2.975 2.384 + 1616SOL HW2 4948 0.806 2.847 2.427 + 1617SOL OW 4949 2.408 4.382 2.225 + 1617SOL HW1 4950 2.359 4.307 2.256 + 1617SOL HW2 4951 2.480 4.391 2.287 + 1618SOL OW 4952 2.022 2.909 4.574 + 1618SOL HW1 4953 1.965 2.942 4.506 + 1618SOL HW2 4954 1.989 2.949 4.655 + 1619SOL OW 4955 2.439 5.189 5.378 + 1619SOL HW1 4956 2.522 5.192 5.425 + 1619SOL HW2 4957 2.463 5.158 5.290 + 1620SOL OW 4958 5.254 0.753 5.423 + 1620SOL HW1 4959 5.321 0.688 5.398 + 1620SOL HW2 4960 5.206 0.770 5.342 + 1621SOL OW 4961 5.922 3.281 3.328 + 1621SOL HW1 4962 0.016 3.294 3.318 + 1621SOL HW2 4963 5.913 3.214 3.396 + 1622SOL OW 4964 0.845 5.896 2.911 + 1622SOL HW1 4965 0.798 5.918 2.831 + 1622SOL HW2 4966 0.924 5.950 2.909 + 1623SOL OW 4967 4.572 4.848 2.610 + 1623SOL HW1 4968 4.568 4.753 2.602 + 1623SOL HW2 4969 4.591 4.878 2.521 + 1624SOL OW 4970 0.895 4.598 2.133 + 1624SOL HW1 4971 0.827 4.600 2.066 + 1624SOL HW2 4972 0.972 4.565 2.088 + 1625SOL OW 4973 5.728 0.104 3.099 + 1625SOL HW1 4974 5.810 0.057 3.116 + 1625SOL HW2 4975 5.691 0.118 3.186 + 1626SOL OW 4976 0.897 0.453 4.766 + 1626SOL HW1 4977 0.987 0.479 4.788 + 1626SOL HW2 4978 0.865 0.407 4.844 + 1627SOL OW 4979 5.287 1.361 3.510 + 1627SOL HW1 4980 5.263 1.428 3.446 + 1627SOL HW2 4981 5.254 1.279 3.473 + 1628SOL OW 4982 2.263 4.764 1.638 + 1628SOL HW1 4983 2.204 4.833 1.669 + 1628SOL HW2 4984 2.313 4.738 1.715 + 1629SOL OW 4985 1.633 1.318 5.938 + 1629SOL HW1 4986 1.729 1.321 5.948 + 1629SOL HW2 4987 1.604 1.258 0.007 + 1630SOL OW 4988 5.455 0.058 5.402 + 1630SOL HW1 4989 5.428 0.031 5.490 + 1630SOL HW2 4990 5.551 0.061 5.406 + 1631SOL OW 4991 3.931 5.667 0.252 + 1631SOL HW1 4992 3.991 5.741 0.245 + 1631SOL HW2 4993 3.845 5.706 0.263 + 1632SOL OW 4994 5.264 1.606 0.999 + 1632SOL HW1 4995 5.297 1.525 0.960 + 1632SOL HW2 4996 5.170 1.591 1.011 + 1633SOL OW 4997 1.180 3.038 1.366 + 1633SOL HW1 4998 1.188 3.131 1.347 + 1633SOL HW2 4999 1.260 3.016 1.414 + 1634SOL OW 5000 3.562 1.404 5.654 + 1634SOL HW1 5001 3.639 1.381 5.706 + 1634SOL HW2 5002 3.502 1.331 5.666 + 1635SOL OW 5003 4.951 0.157 3.189 + 1635SOL HW1 5004 5.028 0.109 3.158 + 1635SOL HW2 5005 4.983 0.211 3.262 + 1636SOL OW 5006 4.251 3.749 4.580 + 1636SOL HW1 5007 4.250 3.676 4.643 + 1636SOL HW2 5008 4.295 3.820 4.627 + 1637SOL OW 5009 2.781 4.559 3.508 + 1637SOL HW1 5010 2.687 4.542 3.516 + 1637SOL HW2 5011 2.793 4.589 3.418 + 1638SOL OW 5012 5.893 2.460 5.537 + 1638SOL HW1 5013 5.891 2.366 5.519 + 1638SOL HW2 5014 5.918 2.467 5.629 + 1639SOL OW 5015 0.277 3.158 3.789 + 1639SOL HW1 5016 0.345 3.179 3.852 + 1639SOL HW2 5017 0.268 3.063 3.793 + 1640SOL OW 5018 3.651 2.628 2.237 + 1640SOL HW1 5019 3.695 2.543 2.238 + 1640SOL HW2 5020 3.560 2.607 2.216 + 1641SOL OW 5021 5.488 1.893 1.676 + 1641SOL HW1 5022 5.502 1.916 1.584 + 1641SOL HW2 5023 5.398 1.923 1.694 + 1642SOL OW 5024 1.078 4.079 0.763 + 1642SOL HW1 5025 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1669SOL HW2 5107 0.951 0.025 0.405 + 1670SOL OW 5108 5.869 5.169 2.497 + 1670SOL HW1 5109 5.859 5.235 2.428 + 1670SOL HW2 5110 5.896 5.220 2.574 + 1671SOL OW 5111 2.430 5.123 4.646 + 1671SOL HW1 5112 2.347 5.081 4.627 + 1671SOL HW2 5113 2.497 5.064 4.610 + 1672SOL OW 5114 1.134 0.795 4.762 + 1672SOL HW1 5115 1.164 0.882 4.733 + 1672SOL HW2 5116 1.171 0.785 4.850 + 1673SOL OW 5117 4.820 0.302 0.881 + 1673SOL HW1 5118 4.901 0.304 0.933 + 1673SOL HW2 5119 4.783 0.215 0.899 + 1674SOL OW 5120 4.039 3.658 1.328 + 1674SOL HW1 5121 4.103 3.594 1.359 + 1674SOL HW2 5122 3.977 3.607 1.275 + 1675SOL OW 5123 0.561 1.968 0.086 + 1675SOL HW1 5124 0.652 1.957 0.058 + 1675SOL HW2 5125 0.563 1.954 0.180 + 1676SOL OW 5126 2.401 1.718 1.874 + 1676SOL HW1 5127 2.322 1.769 1.854 + 1676SOL HW2 5128 2.473 1.775 1.846 + 1677SOL OW 5129 4.725 0.837 0.892 + 1677SOL HW1 5130 4.706 0.809 0.982 + 1677SOL HW2 5131 4.728 0.756 0.842 + 1678SOL OW 5132 3.809 2.971 4.512 + 1678SOL HW1 5133 3.811 2.878 4.535 + 1678SOL HW2 5134 3.733 3.006 4.558 + 1679SOL OW 5135 3.523 4.461 0.273 + 1679SOL HW1 5136 3.537 4.380 0.322 + 1679SOL HW2 5137 3.429 4.478 0.280 + 1680SOL OW 5138 1.208 3.827 4.963 + 1680SOL HW1 5139 1.272 3.896 4.948 + 1680SOL HW2 5140 1.216 3.808 5.057 + 1681SOL OW 5141 5.475 3.832 0.234 + 1681SOL HW1 5142 5.441 3.883 0.308 + 1681SOL HW2 5143 5.402 3.776 0.208 + 1682SOL OW 5144 0.361 0.701 4.092 + 1682SOL HW1 5145 0.410 0.777 4.060 + 1682SOL HW2 5146 0.366 0.707 4.187 + 1683SOL OW 5147 0.489 0.757 0.468 + 1683SOL HW1 5148 0.537 0.810 0.404 + 1683SOL HW2 5149 0.554 0.735 0.534 + 1684SOL OW 5150 5.348 2.402 0.298 + 1684SOL HW1 5151 5.333 2.347 0.375 + 1684SOL HW2 5152 5.360 2.340 0.226 + 1685SOL OW 5153 1.404 1.302 0.670 + 1685SOL HW1 5154 1.421 1.230 0.609 + 1685SOL HW2 5155 1.387 1.259 0.753 + 1686SOL OW 5156 3.069 0.346 2.416 + 1686SOL HW1 5157 3.011 0.277 2.385 + 1686SOL HW2 5158 3.107 0.383 2.336 + 1687SOL OW 5159 3.870 1.442 4.691 + 1687SOL HW1 5160 3.942 1.400 4.643 + 1687SOL HW2 5161 3.896 1.534 4.697 + 1688SOL OW 5162 4.277 1.347 1.238 + 1688SOL HW1 5163 4.267 1.274 1.299 + 1688SOL HW2 5164 4.228 1.419 1.278 + 1689SOL OW 5165 3.220 5.372 1.518 + 1689SOL HW1 5166 3.297 5.414 1.556 + 1689SOL HW2 5167 3.237 5.278 1.528 + 1690SOL OW 5168 1.250 2.244 4.323 + 1690SOL HW1 5169 1.330 2.192 4.314 + 1690SOL HW2 5170 1.183 2.192 4.279 + 1691SOL OW 5171 0.582 0.709 4.897 + 1691SOL HW1 5172 0.547 0.794 4.869 + 1691SOL HW2 5173 0.675 0.714 4.876 + 1692SOL OW 5174 5.321 1.366 2.660 + 1692SOL HW1 5175 5.290 1.441 2.611 + 1692SOL HW2 5176 5.248 1.304 2.659 + 1693SOL OW 5177 1.712 2.550 4.381 + 1693SOL HW1 5178 1.619 2.563 4.399 + 1693SOL HW2 5179 1.748 2.638 4.372 + 1694SOL OW 5180 0.937 1.901 1.545 + 1694SOL HW1 5181 0.947 1.882 1.452 + 1694SOL HW2 5182 0.953 1.995 1.552 + 1695SOL OW 5183 1.696 4.744 1.363 + 1695SOL HW1 5184 1.774 4.758 1.309 + 1695SOL HW2 5185 1.624 4.777 1.309 + 1696SOL OW 5186 3.663 5.083 2.041 + 1696SOL HW1 5187 3.753 5.113 2.048 + 1696SOL HW2 5188 3.625 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0.529 + 1706SOL OW 5216 0.484 3.705 1.474 + 1706SOL HW1 5217 0.512 3.774 1.414 + 1706SOL HW2 5218 0.504 3.624 1.428 + 1707SOL OW 5219 4.681 0.556 1.698 + 1707SOL HW1 5220 4.612 0.622 1.700 + 1707SOL HW2 5221 4.682 0.520 1.787 + 1708SOL OW 5222 3.769 4.558 0.181 + 1708SOL HW1 5223 3.700 4.523 0.237 + 1708SOL HW2 5224 3.722 4.594 0.105 + 1709SOL OW 5225 2.213 0.426 2.145 + 1709SOL HW1 5226 2.294 0.477 2.142 + 1709SOL HW2 5227 2.143 0.490 2.134 + 1710SOL OW 5228 2.486 3.136 1.259 + 1710SOL HW1 5229 2.460 3.049 1.230 + 1710SOL HW2 5230 2.507 3.184 1.179 + 1711SOL OW 5231 4.857 4.201 2.037 + 1711SOL HW1 5232 4.821 4.249 1.962 + 1711SOL HW2 5233 4.796 4.217 2.108 + 1712SOL OW 5234 4.346 5.139 4.521 + 1712SOL HW1 5235 4.423 5.141 4.579 + 1712SOL HW2 5236 4.353 5.219 4.469 + 1713SOL OW 5237 1.499 5.289 0.082 + 1713SOL HW1 5238 1.465 5.354 0.020 + 1713SOL HW2 5239 1.508 5.209 0.031 + 1714SOL OW 5240 1.399 3.855 3.109 + 1714SOL HW1 5241 1.447 3.854 3.192 + 1714SOL HW2 5242 1.452 3.911 3.052 + 1715SOL OW 5243 0.840 0.532 0.347 + 1715SOL HW1 5244 0.865 0.623 0.366 + 1715SOL HW2 5245 0.859 0.521 0.254 + 1716SOL OW 5246 2.275 2.881 4.163 + 1716SOL HW1 5247 2.214 2.835 4.220 + 1716SOL HW2 5248 2.253 2.974 4.174 + 1717SOL OW 5249 2.770 3.631 0.421 + 1717SOL HW1 5250 2.719 3.636 0.501 + 1717SOL HW2 5251 2.706 3.616 0.351 + 1718SOL OW 5252 2.041 0.977 1.190 + 1718SOL HW1 5253 2.021 1.060 1.148 + 1718SOL HW2 5254 1.956 0.940 1.214 + 1719SOL OW 5255 1.893 4.547 3.637 + 1719SOL HW1 5256 1.806 4.549 3.596 + 1719SOL HW2 5257 1.917 4.639 3.647 + 1720SOL OW 5258 2.505 1.301 1.304 + 1720SOL HW1 5259 2.577 1.351 1.343 + 1720SOL HW2 5260 2.545 1.218 1.277 + 1721SOL OW 5261 2.549 5.516 4.152 + 1721SOL HW1 5262 2.531 5.603 4.188 + 1721SOL HW2 5263 2.490 5.458 4.199 + 1722SOL OW 5264 3.097 0.708 4.191 + 1722SOL HW1 5265 3.077 0.793 4.231 + 1722SOL HW2 5266 3.048 0.645 4.243 + 1723SOL OW 5267 1.921 0.558 5.386 + 1723SOL HW1 5268 1.904 0.469 5.418 + 1723SOL HW2 5269 2.004 0.583 5.428 + 1724SOL OW 5270 4.280 3.076 3.901 + 1724SOL HW1 5271 4.299 3.165 3.871 + 1724SOL HW2 5272 4.231 3.087 3.982 + 1725SOL OW 5273 5.142 1.810 2.322 + 1725SOL HW1 5274 5.160 1.794 2.229 + 1725SOL HW2 5275 5.224 1.848 2.355 + 1726SOL OW 5276 4.820 2.328 4.004 + 1726SOL HW1 5277 4.856 2.363 4.086 + 1726SOL HW2 5278 4.775 2.248 4.030 + 1727SOL OW 5279 2.500 5.285 1.081 + 1727SOL HW1 5280 2.566 5.296 1.013 + 1727SOL HW2 5281 2.442 5.217 1.048 + 1728SOL OW 5282 5.667 5.771 0.981 + 1728SOL HW1 5283 5.688 5.697 0.924 + 1728SOL HW2 5284 5.684 5.738 1.069 + 1729SOL OW 5285 4.595 5.599 3.187 + 1729SOL HW1 5286 4.616 5.531 3.123 + 1729SOL HW2 5287 4.636 5.569 3.268 + 1730SOL OW 5288 4.563 3.378 2.345 + 1730SOL HW1 5289 4.541 3.421 2.262 + 1730SOL HW2 5290 4.653 3.346 2.333 + 1731SOL OW 5291 3.133 5.266 3.542 + 1731SOL HW1 5292 3.139 5.302 3.453 + 1731SOL HW2 5293 3.163 5.175 3.533 + 1732SOL OW 5294 2.012 2.019 3.067 + 1732SOL HW1 5295 2.003 2.091 3.129 + 1732SOL HW2 5296 2.101 1.986 3.082 + 1733SOL OW 5297 2.976 4.178 0.205 + 1733SOL HW1 5298 2.909 4.111 0.216 + 1733SOL HW2 5299 3.058 4.130 0.203 + 1734SOL OW 5300 0.292 5.795 5.357 + 1734SOL HW1 5301 0.293 5.850 5.435 + 1734SOL HW2 5302 0.235 5.722 5.381 + 1735SOL OW 5303 0.090 2.359 1.528 + 1735SOL HW1 5304 0.032 2.381 1.601 + 1735SOL HW2 5305 0.146 2.289 1.563 + 1736SOL OW 5306 4.198 0.097 1.842 + 1736SOL HW1 5307 4.260 0.090 1.915 + 1736SOL HW2 5308 4.132 0.159 1.873 + 1737SOL OW 5309 2.094 0.040 5.794 + 1737SOL HW1 5310 2.123 0.128 5.770 + 1737SOL HW2 5311 2.057 0.050 5.881 + 1738SOL OW 5312 2.696 1.326 0.470 + 1738SOL HW1 5313 2.632 1.373 0.416 + 1738SOL HW2 5314 2.772 1.316 0.413 + 1739SOL OW 5315 3.025 4.437 0.136 + 1739SOL HW1 5316 2.994 4.363 0.188 + 1739SOL HW2 5317 3.042 4.401 0.049 + 1740SOL OW 5318 4.753 1.587 3.336 + 1740SOL HW1 5319 4.760 1.596 3.431 + 1740SOL HW2 5320 4.839 1.610 3.303 + 1741SOL OW 5321 2.981 5.803 1.993 + 1741SOL HW1 5322 3.025 5.827 2.074 + 1741SOL HW2 5323 3.037 5.735 1.955 + 1742SOL OW 5324 4.908 4.260 2.315 + 1742SOL HW1 5325 4.950 4.341 2.287 + 1742SOL HW2 5326 4.939 4.194 2.252 + 1743SOL OW 5327 2.968 5.423 0.144 + 1743SOL HW1 5328 2.910 5.370 0.201 + 1743SOL HW2 5329 2.930 5.413 0.057 + 1744SOL OW 5330 4.919 1.334 4.053 + 1744SOL HW1 5331 4.969 1.373 3.981 + 1744SOL HW2 5332 4.969 1.256 4.077 + 1745SOL OW 5333 4.031 4.948 5.564 + 1745SOL HW1 5334 3.955 4.983 5.516 + 1745SOL HW2 5335 4.100 4.941 5.498 + 1746SOL OW 5336 1.776 1.952 2.229 + 1746SOL HW1 5337 1.775 2.041 2.264 + 1746SOL HW2 5338 1.696 1.912 2.264 + 1747SOL OW 5339 5.706 4.643 4.420 + 1747SOL HW1 5340 5.746 4.696 4.351 + 1747SOL HW2 5341 5.737 4.554 4.404 + 1748SOL OW 5342 1.600 4.317 5.381 + 1748SOL HW1 5343 1.590 4.376 5.307 + 1748SOL HW2 5344 1.653 4.244 5.347 + 1749SOL OW 5345 1.121 4.462 3.346 + 1749SOL HW1 5346 1.082 4.540 3.385 + 1749SOL HW2 5347 1.047 4.414 3.308 + 1750SOL OW 5348 1.062 2.850 3.156 + 1750SOL HW1 5349 1.106 2.771 3.186 + 1750SOL HW2 5350 1.004 2.874 3.229 + 1751SOL OW 5351 5.501 0.250 5.102 + 1751SOL HW1 5352 5.442 0.186 5.142 + 1751SOL HW2 5353 5.564 0.197 5.054 + 1752SOL OW 5354 3.523 4.548 4.257 + 1752SOL HW1 5355 3.462 4.588 4.319 + 1752SOL HW2 5356 3.609 4.562 4.296 + 1753SOL OW 5357 4.491 0.753 1.734 + 1753SOL HW1 5358 4.396 0.769 1.734 + 1753SOL HW2 5359 4.529 0.836 1.765 + 1754SOL OW 5360 0.936 0.778 0.404 + 1754SOL HW1 5361 0.906 0.853 0.352 + 1754SOL HW2 5362 0.922 0.804 0.495 + 1755SOL OW 5363 1.968 1.657 5.071 + 1755SOL HW1 5364 1.964 1.605 4.991 + 1755SOL HW2 5365 1.972 1.748 5.040 + 1756SOL OW 5366 5.254 4.176 5.775 + 1756SOL HW1 5367 5.254 4.222 5.690 + 1756SOL HW2 5368 5.269 4.084 5.752 + 1757SOL OW 5369 1.039 1.409 1.877 + 1757SOL HW1 5370 0.954 1.439 1.909 + 1757SOL HW2 5371 1.086 1.489 1.852 + 1758SOL OW 5372 1.485 5.150 4.300 + 1758SOL HW1 5373 1.551 5.115 4.361 + 1758SOL HW2 5374 1.453 5.229 4.343 + 1759SOL OW 5375 2.405 3.551 4.903 + 1759SOL HW1 5376 2.426 3.595 4.986 + 1759SOL HW2 5377 2.428 3.459 4.918 + 1760SOL OW 5378 3.794 0.308 1.179 + 1760SOL HW1 5379 3.819 0.282 1.268 + 1760SOL HW2 5380 3.869 0.281 1.125 + 1761SOL OW 5381 0.505 5.422 3.935 + 1761SOL HW1 5382 0.568 5.362 3.895 + 1761SOL HW2 5383 0.524 5.507 3.895 + 1762SOL OW 5384 2.266 5.399 3.559 + 1762SOL HW1 5385 2.314 5.316 3.549 + 1762SOL HW2 5386 2.255 5.431 3.469 + 1763SOL OW 5387 2.885 1.060 0.507 + 1763SOL HW1 5388 2.971 1.051 0.548 + 1763SOL HW2 5389 2.825 1.016 0.566 + 1764SOL OW 5390 5.939 2.357 1.254 + 1764SOL HW1 5391 5.936 2.442 1.210 + 1764SOL HW2 5392 5.969 2.377 1.343 + 1765SOL OW 5393 3.471 5.891 4.038 + 1765SOL HW1 5394 3.382 5.884 4.073 + 1765SOL HW2 5395 3.507 5.970 4.079 + 1766SOL OW 5396 1.654 5.853 4.769 + 1766SOL HW1 5397 1.572 5.849 4.719 + 1766SOL HW2 5398 1.706 5.781 4.733 + 1767SOL OW 5399 4.017 4.907 1.830 + 1767SOL HW1 5400 3.953 4.934 1.765 + 1767SOL HW2 5401 4.011 4.973 1.899 + 1768SOL OW 5402 1.878 3.890 1.981 + 1768SOL HW1 5403 1.844 3.978 1.967 + 1768SOL HW2 5404 1.890 3.883 2.075 + 1769SOL OW 5405 3.415 5.805 0.098 + 1769SOL HW1 5406 3.462 5.739 0.047 + 1769SOL HW2 5407 3.340 5.758 0.135 + 1770SOL OW 5408 5.567 4.237 3.948 + 1770SOL HW1 5409 5.637 4.294 3.980 + 1770SOL HW2 5410 5.610 4.179 3.886 + 1771SOL OW 5411 0.807 5.946 3.816 + 1771SOL HW1 5412 0.787 5.922 3.726 + 1771SOL HW2 5413 0.724 5.978 3.852 + 1772SOL OW 5414 3.474 4.047 1.678 + 1772SOL HW1 5415 3.495 3.953 1.683 + 1772SOL HW2 5416 3.559 4.089 1.662 + 1773SOL OW 5417 3.515 4.874 5.746 + 1773SOL HW1 5418 3.507 4.802 5.808 + 1773SOL HW2 5419 3.519 4.952 5.800 + 1774SOL OW 5420 1.131 3.706 1.110 + 1774SOL HW1 5421 1.207 3.673 1.062 + 1774SOL HW2 5422 1.142 3.672 1.199 + 1775SOL OW 5423 4.290 0.475 1.022 + 1775SOL HW1 5424 4.285 0.455 1.116 + 1775SOL HW2 5425 4.384 0.481 1.005 + 1776SOL OW 5426 4.659 1.783 1.252 + 1776SOL HW1 5427 4.713 1.705 1.247 + 1776SOL HW2 5428 4.622 1.794 1.164 + 1777SOL OW 5429 0.854 0.827 1.895 + 1777SOL HW1 5430 0.825 0.910 1.933 + 1777SOL HW2 5431 0.775 0.774 1.890 + 1778SOL OW 5432 0.376 0.538 1.609 + 1778SOL HW1 5433 0.340 0.587 1.534 + 1778SOL HW2 5434 0.349 0.588 1.686 + 1779SOL OW 5435 4.199 1.688 2.858 + 1779SOL HW1 5436 4.208 1.637 2.938 + 1779SOL HW2 5437 4.218 1.778 2.885 + 1780SOL OW 5438 3.467 2.082 5.982 + 1780SOL HW1 5439 3.454 1.993 0.016 + 1780SOL HW2 5440 3.388 2.099 5.930 + 1781SOL OW 5441 0.704 1.026 2.034 + 1781SOL HW1 5442 0.769 1.089 2.064 + 1781SOL HW2 5443 0.655 1.003 2.113 + 1782SOL OW 5444 5.724 2.690 1.754 + 1782SOL HW1 5445 5.716 2.743 1.833 + 1782SOL HW2 5446 5.774 2.613 1.782 + 1783SOL OW 5447 3.399 0.727 1.013 + 1783SOL HW1 5448 3.348 0.808 1.002 + 1783SOL HW2 5449 3.361 0.685 1.089 + 1784SOL OW 5450 0.313 1.360 0.142 + 1784SOL HW1 5451 0.312 1.289 0.206 + 1784SOL HW2 5452 0.398 1.403 0.156 + 1785SOL OW 5453 4.821 2.248 3.625 + 1785SOL HW1 5454 4.827 2.159 3.659 + 1785SOL HW2 5455 4.806 2.302 3.703 + 1786SOL OW 5456 1.086 3.690 3.689 + 1786SOL HW1 5457 1.114 3.648 3.770 + 1786SOL HW2 5458 1.167 3.708 3.642 + 1787SOL OW 5459 5.759 4.809 3.020 + 1787SOL HW1 5460 5.779 4.718 3.042 + 1787SOL HW2 5461 5.811 4.861 3.081 + 1788SOL OW 5462 4.406 5.814 3.570 + 1788SOL HW1 5463 4.422 5.901 3.534 + 1788SOL HW2 5464 4.348 5.773 3.507 + 1789SOL OW 5465 4.934 0.834 2.275 + 1789SOL HW1 5466 4.969 0.748 2.250 + 1789SOL HW2 5467 4.876 0.815 2.349 + 1790SOL OW 5468 2.981 2.225 4.698 + 1790SOL HW1 5469 2.905 2.207 4.754 + 1790SOL HW2 5470 2.945 2.235 4.610 + 1791SOL OW 5471 0.172 3.701 1.958 + 1791SOL HW1 5472 0.195 3.741 2.042 + 1791SOL HW2 5473 0.164 3.607 1.977 + 1792SOL OW 5474 4.313 3.527 5.459 + 1792SOL HW1 5475 4.271 3.561 5.538 + 1792SOL HW2 5476 4.335 3.604 5.408 + 1793SOL OW 5477 2.290 2.866 4.567 + 1793SOL HW1 5478 2.195 2.877 4.563 + 1793SOL HW2 5479 2.324 2.955 4.572 + 1794SOL OW 5480 4.302 4.416 4.752 + 1794SOL HW1 5481 4.369 4.347 4.751 + 1794SOL HW2 5482 4.270 4.420 4.662 + 1795SOL OW 5483 2.453 0.721 1.817 + 1795SOL HW1 5484 2.402 0.665 1.875 + 1795SOL HW2 5485 2.388 0.774 1.771 + 1796SOL OW 5486 1.382 2.339 5.653 + 1796SOL HW1 5487 1.292 2.353 5.624 + 1796SOL HW2 5488 1.434 2.401 5.602 + 1797SOL OW 5489 1.347 1.828 3.736 + 1797SOL HW1 5490 1.418 1.766 3.748 + 1797SOL HW2 5491 1.277 1.795 3.792 + 1798SOL OW 5492 3.596 1.805 5.330 + 1798SOL HW1 5493 3.667 1.741 5.336 + 1798SOL HW2 5494 3.636 1.887 5.359 + 1799SOL OW 5495 2.809 5.543 3.653 + 1799SOL HW1 5496 2.752 5.617 3.634 + 1799SOL HW2 5497 2.781 5.512 3.739 + 1800SOL OW 5498 3.358 0.289 4.362 + 1800SOL HW1 5499 3.277 0.267 4.406 + 1800SOL HW2 5500 3.392 0.365 4.409 + 1801SOL OW 5501 1.256 5.741 0.905 + 1801SOL HW1 5502 1.349 5.763 0.909 + 1801SOL HW2 5503 1.238 5.730 0.811 + 1802SOL OW 5504 5.205 1.565 2.466 + 1802SOL HW1 5505 5.190 1.641 2.409 + 1802SOL HW2 5506 5.123 1.553 2.513 + 1803SOL OW 5507 4.686 5.763 1.257 + 1803SOL HW1 5508 4.654 5.723 1.338 + 1803SOL HW2 5509 4.639 5.718 1.188 + 1804SOL OW 5510 4.491 0.371 3.180 + 1804SOL HW1 5511 4.439 0.305 3.225 + 1804SOL HW2 5512 4.580 0.336 3.181 + 1805SOL OW 5513 3.736 5.699 1.568 + 1805SOL HW1 5514 3.668 5.687 1.634 + 1805SOL HW2 5515 3.692 5.745 1.496 + 1806SOL OW 5516 3.877 2.592 5.130 + 1806SOL HW1 5517 3.960 2.610 5.086 + 1806SOL HW2 5518 3.902 2.555 5.214 + 1807SOL OW 5519 4.047 2.638 3.881 + 1807SOL HW1 5520 4.106 2.566 3.859 + 1807SOL HW2 5521 4.088 2.715 3.843 + 1808SOL OW 5522 5.040 3.166 3.198 + 1808SOL HW1 5523 5.046 3.252 3.155 + 1808SOL HW2 5524 5.008 3.186 3.286 + 1809SOL OW 5525 5.865 1.904 1.327 + 1809SOL HW1 5526 5.826 1.824 1.363 + 1809SOL HW2 5527 5.867 1.965 1.400 + 1810SOL OW 5528 0.424 3.140 5.665 + 1810SOL HW1 5529 0.358 3.183 5.720 + 1810SOL HW2 5530 0.501 3.133 5.721 + 1811SOL OW 5531 1.717 5.467 2.075 + 1811SOL HW1 5532 1.794 5.475 2.131 + 1811SOL HW2 5533 1.644 5.490 2.133 + 1812SOL OW 5534 2.333 5.339 0.233 + 1812SOL HW1 5535 2.272 5.274 0.268 + 1812SOL HW2 5536 2.381 5.292 0.164 + 1813SOL OW 5537 3.940 5.882 1.101 + 1813SOL HW1 5538 3.975 5.920 1.020 + 1813SOL HW2 5539 3.859 5.929 1.117 + 1814SOL OW 5540 4.572 5.627 1.013 + 1814SOL HW1 5541 4.621 5.682 0.952 + 1814SOL HW2 5542 4.545 5.552 0.961 + 1815SOL OW 5543 5.465 3.347 5.362 + 1815SOL HW1 5544 5.408 3.273 5.342 + 1815SOL HW2 5545 5.452 3.409 5.290 + 1816SOL OW 5546 1.730 4.381 2.325 + 1816SOL HW1 5547 1.806 4.438 2.333 + 1816SOL HW2 5548 1.714 4.375 2.231 + 1817SOL OW 5549 0.166 4.762 0.895 + 1817SOL HW1 5550 0.178 4.831 0.830 + 1817SOL HW2 5551 0.191 4.681 0.849 + 1818SOL OW 5552 0.933 5.836 1.576 + 1818SOL HW1 5553 0.953 5.742 1.575 + 1818SOL HW2 5554 0.971 5.870 1.495 + 1819SOL OW 5555 1.632 1.012 3.825 + 1819SOL HW1 5556 1.583 0.979 3.750 + 1819SOL HW2 5557 1.577 0.991 3.901 + 1820SOL OW 5558 4.383 3.184 2.473 + 1820SOL HW1 5559 4.371 3.265 2.522 + 1820SOL HW2 5560 4.463 3.197 2.423 + 1821SOL OW 5561 1.929 5.474 2.259 + 1821SOL HW1 5562 1.897 5.477 2.349 + 1821SOL HW2 5563 2.025 5.474 2.268 + 1822SOL OW 5564 1.740 5.973 5.012 + 1822SOL HW1 5565 1.832 5.981 4.987 + 1822SOL HW2 5566 1.697 5.936 4.935 + 1823SOL OW 5567 3.552 0.470 4.796 + 1823SOL HW1 5568 3.595 0.438 4.717 + 1823SOL HW2 5569 3.462 0.437 4.790 + 1824SOL OW 5570 2.783 5.178 2.701 + 1824SOL HW1 5571 2.771 5.271 2.684 + 1824SOL HW2 5572 2.760 5.135 2.619 + 1825SOL OW 5573 2.617 5.581 4.633 + 1825SOL HW1 5574 2.704 5.540 4.629 + 1825SOL HW2 5575 2.564 5.518 4.682 + 1826SOL OW 5576 5.555 5.022 5.312 + 1826SOL HW1 5577 5.558 5.109 5.273 + 1826SOL HW2 5578 5.462 5.000 5.318 + 1827SOL OW 5579 2.417 5.159 1.342 + 1827SOL HW1 5580 2.490 5.202 1.386 + 1827SOL HW2 5581 2.435 5.172 1.249 + 1828SOL OW 5582 1.073 4.774 1.157 + 1828SOL HW1 5583 1.103 4.863 1.142 + 1828SOL HW2 5584 0.993 4.766 1.107 + 1829SOL OW 5585 3.603 4.190 0.092 + 1829SOL HW1 5586 3.579 4.276 0.058 + 1829SOL HW2 5587 3.615 4.204 0.186 + 1830SOL OW 5588 4.020 1.376 0.362 + 1830SOL HW1 5589 3.996 1.421 0.443 + 1830SOL HW2 5590 4.115 1.376 0.361 + 1831SOL OW 5591 3.160 5.349 3.284 + 1831SOL HW1 5592 3.111 5.356 3.202 + 1831SOL HW2 5593 3.251 5.367 3.260 + 1832SOL OW 5594 2.393 2.263 4.450 + 1832SOL HW1 5595 2.344 2.306 4.519 + 1832SOL HW2 5596 2.419 2.333 4.391 + 1833SOL OW 5597 0.619 0.881 0.214 + 1833SOL HW1 5598 0.673 0.921 0.146 + 1833SOL HW2 5599 0.546 0.841 0.167 + 1834SOL OW 5600 2.852 3.082 5.369 + 1834SOL HW1 5601 2.940 3.109 5.395 + 1834SOL HW2 5602 2.793 3.145 5.412 + 1835SOL OW 5603 5.357 3.788 1.348 + 1835SOL HW1 5604 5.452 3.778 1.356 + 1835SOL HW2 5605 5.338 3.869 1.395 + 1836SOL OW 5606 4.913 5.402 1.768 + 1836SOL HW1 5607 4.971 5.327 1.781 + 1836SOL HW2 5608 4.934 5.433 1.680 + 1837SOL OW 5609 0.736 5.230 3.838 + 1837SOL HW1 5610 0.704 5.148 3.876 + 1837SOL HW2 5611 0.830 5.216 3.828 + 1838SOL OW 5612 1.321 3.339 3.402 + 1838SOL HW1 5613 1.254 3.312 3.465 + 1838SOL HW2 5614 1.354 3.257 3.366 + 1839SOL OW 5615 1.431 1.501 5.726 + 1839SOL HW1 5616 1.492 1.459 5.788 + 1839SOL HW2 5617 1.413 1.586 5.766 + 1840SOL OW 5618 1.421 4.248 3.034 + 1840SOL HW1 5619 1.355 4.314 3.059 + 1840SOL HW2 5620 1.472 4.235 3.114 + 1841SOL OW 5621 4.451 4.130 4.031 + 1841SOL HW1 5622 4.505 4.073 3.977 + 1841SOL HW2 5623 4.466 4.099 4.121 + 1842SOL OW 5624 2.791 2.246 5.575 + 1842SOL HW1 5625 2.856 2.310 5.603 + 1842SOL HW2 5626 2.831 2.161 5.596 + 1843SOL OW 5627 1.535 0.855 0.989 + 1843SOL HW1 5628 1.500 0.823 0.906 + 1843SOL HW2 5629 1.618 0.809 1.000 + 1844SOL OW 5630 3.796 1.315 5.795 + 1844SOL HW1 5631 3.837 1.368 5.863 + 1844SOL HW2 5632 3.834 1.228 5.806 + 1845SOL OW 5633 4.632 0.641 2.740 + 1845SOL HW1 5634 4.610 0.731 2.761 + 1845SOL HW2 5635 4.686 0.647 2.661 + 1846SOL OW 5636 0.230 5.826 0.706 + 1846SOL HW1 5637 0.269 5.913 0.713 + 1846SOL HW2 5638 0.136 5.842 0.701 + 1847SOL OW 5639 5.608 5.461 2.229 + 1847SOL HW1 5640 5.518 5.429 2.225 + 1847SOL HW2 5641 5.600 5.551 2.259 + 1848SOL OW 5642 4.470 2.186 2.692 + 1848SOL HW1 5643 4.408 2.131 2.740 + 1848SOL HW2 5644 4.527 2.222 2.759 + 1849SOL OW 5645 2.707 5.447 2.662 + 1849SOL HW1 5646 2.753 5.518 2.709 + 1849SOL HW2 5647 2.697 5.480 2.573 + 1850SOL OW 5648 2.277 3.823 5.896 + 1850SOL HW1 5649 2.253 3.762 5.966 + 1850SOL HW2 5650 2.353 3.782 5.853 + 1851SOL OW 5651 3.436 3.170 4.851 + 1851SOL HW1 5652 3.454 3.258 4.820 + 1851SOL HW2 5653 3.439 3.176 4.946 + 1852SOL OW 5654 5.731 3.644 5.454 + 1852SOL HW1 5655 5.825 3.632 5.440 + 1852SOL HW2 5656 5.703 3.564 5.497 + 1853SOL OW 5657 5.050 0.565 3.427 + 1853SOL HW1 5658 5.016 0.630 3.489 + 1853SOL HW2 5659 5.076 0.617 3.351 + 1854SOL OW 5660 4.296 3.757 4.295 + 1854SOL HW1 5661 4.254 3.678 4.263 + 1854SOL HW2 5662 4.274 3.760 4.388 + 1855SOL OW 5663 2.706 4.070 1.287 + 1855SOL HW1 5664 2.614 4.072 1.263 + 1855SOL HW2 5665 2.747 4.135 1.230 + 1856SOL OW 5666 1.309 2.347 3.021 + 1856SOL HW1 5667 1.291 2.333 2.928 + 1856SOL HW2 5668 1.224 2.367 3.059 + 1857SOL OW 5669 3.310 0.953 1.893 + 1857SOL HW1 5670 3.226 0.912 1.912 + 1857SOL HW2 5671 3.350 0.965 1.979 + 1858SOL OW 5672 0.146 5.265 5.660 + 1858SOL HW1 5673 0.215 5.289 5.721 + 1858SOL HW2 5674 0.126 5.174 5.681 + 1859SOL OW 5675 3.039 0.622 1.769 + 1859SOL HW1 5676 3.113 0.571 1.801 + 1859SOL HW2 5677 2.986 0.639 1.847 + 1860SOL OW 5678 3.342 0.457 5.283 + 1860SOL HW1 5679 3.282 0.386 5.308 + 1860SOL HW2 5680 3.288 0.536 5.285 + 1861SOL OW 5681 5.468 2.885 2.505 + 1861SOL HW1 5682 5.512 2.836 2.435 + 1861SOL HW2 5683 5.501 2.847 2.586 + 1862SOL OW 5684 5.157 3.154 4.815 + 1862SOL HW1 5685 5.110 3.193 4.888 + 1862SOL HW2 5686 5.205 3.226 4.774 + 1863SOL OW 5687 0.652 2.624 3.248 + 1863SOL HW1 5688 0.609 2.545 3.279 + 1863SOL HW2 5689 0.705 2.595 3.174 + 1864SOL OW 5690 4.350 5.778 2.772 + 1864SOL HW1 5691 4.399 5.703 2.738 + 1864SOL HW2 5692 4.382 5.790 2.861 + 1865SOL OW 5693 2.861 4.800 0.196 + 1865SOL HW1 5694 2.868 4.706 0.184 + 1865SOL HW2 5695 2.923 4.820 0.267 + 1866SOL OW 5696 5.625 1.616 5.550 + 1866SOL HW1 5697 5.580 1.651 5.473 + 1866SOL HW2 5698 5.714 1.600 5.520 + 1867SOL OW 5699 4.053 3.386 2.483 + 1867SOL HW1 5700 4.135 3.414 2.525 + 1867SOL HW2 5701 4.021 3.464 2.439 + 1868SOL OW 5702 0.390 4.855 1.393 + 1868SOL HW1 5703 0.418 4.778 1.442 + 1868SOL HW2 5704 0.459 4.868 1.327 + 1869SOL OW 5705 2.893 1.857 1.800 + 1869SOL HW1 5706 2.967 1.880 1.857 + 1869SOL HW2 5707 2.930 1.794 1.738 + 1870SOL OW 5708 4.292 2.247 1.251 + 1870SOL HW1 5709 4.371 2.261 1.200 + 1870SOL HW2 5710 4.260 2.335 1.272 + 1871SOL OW 5711 3.460 2.670 5.503 + 1871SOL HW1 5712 3.394 2.738 5.492 + 1871SOL HW2 5713 3.483 2.643 5.414 + 1872SOL OW 5714 0.693 4.819 3.398 + 1872SOL HW1 5715 0.713 4.743 3.344 + 1872SOL HW2 5716 0.765 4.825 3.460 + 1873SOL OW 5717 4.827 3.275 2.345 + 1873SOL HW1 5718 4.872 3.199 2.384 + 1873SOL HW2 5719 4.896 3.340 2.333 + 1874SOL OW 5720 2.973 4.632 3.955 + 1874SOL HW1 5721 2.971 4.619 3.861 + 1874SOL HW2 5722 3.059 4.602 3.983 + 1875SOL OW 5723 5.894 5.884 3.124 + 1875SOL HW1 5724 5.856 5.859 3.209 + 1875SOL HW2 5725 5.827 5.861 3.060 + 1876SOL OW 5726 5.823 0.300 0.416 + 1876SOL HW1 5727 5.812 0.245 0.493 + 1876SOL HW2 5728 5.890 0.364 0.441 + 1877SOL OW 5729 5.192 1.534 3.697 + 1877SOL HW1 5730 5.170 1.588 3.621 + 1877SOL HW2 5731 5.237 1.458 3.661 + 1878SOL OW 5732 1.580 1.930 2.418 + 1878SOL HW1 5733 1.585 1.916 2.513 + 1878SOL HW2 5734 1.617 2.017 2.405 + 1879SOL OW 5735 1.756 0.879 3.158 + 1879SOL HW1 5736 1.832 0.865 3.102 + 1879SOL HW2 5737 1.720 0.963 3.130 + 1880SOL OW 5738 0.945 5.471 1.180 + 1880SOL HW1 5739 0.961 5.476 1.086 + 1880SOL HW2 5740 0.871 5.529 1.195 + 1881SOL OW 5741 1.860 3.883 3.027 + 1881SOL HW1 5742 1.950 3.865 3.053 + 1881SOL HW2 5743 1.824 3.934 3.099 + 1882SOL OW 5744 1.552 2.928 2.686 + 1882SOL HW1 5745 1.484 2.910 2.621 + 1882SOL HW2 5746 1.524 3.010 2.727 + 1883SOL OW 5747 5.460 0.001 5.695 + 1883SOL HW1 5748 5.501 0.085 5.715 + 1883SOL HW2 5749 5.512 5.936 5.743 + 1884SOL OW 5750 3.452 4.882 5.071 + 1884SOL HW1 5751 3.505 4.816 5.116 + 1884SOL HW2 5752 3.464 4.961 5.123 + 1885SOL OW 5753 5.881 5.166 4.697 + 1885SOL HW1 5754 5.832 5.203 4.771 + 1885SOL HW2 5755 5.836 5.084 4.678 + 1886SOL OW 5756 1.035 2.564 3.966 + 1886SOL HW1 5757 1.041 2.473 3.936 + 1886SOL HW2 5758 0.999 2.557 4.054 + 1887SOL OW 5759 4.955 1.984 5.628 + 1887SOL HW1 5760 4.869 1.952 5.601 + 1887SOL HW2 5761 5.004 1.905 5.649 + 1888SOL OW 5762 5.952 2.320 0.900 + 1888SOL HW1 5763 5.887 2.298 0.834 + 1888SOL HW2 5764 5.940 2.414 0.915 + 1889SOL OW 5765 5.454 5.469 4.565 + 1889SOL HW1 5766 5.486 5.392 4.518 + 1889SOL HW2 5767 5.360 5.472 4.547 + 1890SOL OW 5768 4.703 4.076 3.238 + 1890SOL HW1 5769 4.688 3.999 3.293 + 1890SOL HW2 5770 4.716 4.039 3.150 + 1891SOL OW 5771 5.349 5.037 4.475 + 1891SOL HW1 5772 5.305 5.029 4.559 + 1891SOL HW2 5773 5.440 5.012 4.492 + 1892SOL OW 5774 0.806 5.853 5.047 + 1892SOL HW1 5775 0.800 5.905 4.967 + 1892SOL HW2 5776 0.892 5.811 5.042 + 1893SOL OW 5777 0.705 4.585 0.668 + 1893SOL HW1 5778 0.709 4.675 0.701 + 1893SOL HW2 5779 0.653 4.591 0.588 + 1894SOL OW 5780 1.383 1.131 0.894 + 1894SOL HW1 5781 1.376 1.046 0.938 + 1894SOL HW2 5782 1.467 1.166 0.923 + 1895SOL OW 5783 0.901 3.835 2.170 + 1895SOL HW1 5784 0.849 3.873 2.241 + 1895SOL HW2 5785 0.836 3.810 2.104 + 1896SOL OW 5786 3.257 2.980 0.303 + 1896SOL HW1 5787 3.325 2.960 0.239 + 1896SOL HW2 5788 3.194 3.034 0.256 + 1897SOL OW 5789 2.494 2.606 2.302 + 1897SOL HW1 5790 2.554 2.680 2.309 + 1897SOL HW2 5791 2.548 2.529 2.321 + 1898SOL OW 5792 4.036 3.376 1.003 + 1898SOL HW1 5793 4.130 3.360 1.014 + 1898SOL HW2 5794 3.997 3.289 1.004 + 1899SOL OW 5795 4.610 2.952 2.995 + 1899SOL HW1 5796 4.700 2.953 2.964 + 1899SOL HW2 5797 4.615 2.988 3.084 + 1900SOL OW 5798 3.618 5.561 3.744 + 1900SOL HW1 5799 3.635 5.650 3.774 + 1900SOL HW2 5800 3.525 5.546 3.764 + 1901SOL OW 5801 3.822 2.364 4.018 + 1901SOL HW1 5802 3.793 2.419 3.945 + 1901SOL HW2 5803 3.858 2.426 4.081 + 1902SOL OW 5804 1.213 5.119 4.573 + 1902SOL HW1 5805 1.162 5.124 4.493 + 1902SOL HW2 5806 1.171 5.049 4.624 + 1903SOL OW 5807 0.403 5.576 2.812 + 1903SOL HW1 5808 0.366 5.601 2.727 + 1903SOL HW2 5809 0.377 5.485 2.823 + 1904SOL OW 5810 1.820 2.339 2.139 + 1904SOL HW1 5811 1.879 2.276 2.097 + 1904SOL HW2 5812 1.797 2.400 2.069 + 1905SOL OW 5813 3.360 2.592 1.584 + 1905SOL HW1 5814 3.452 2.607 1.565 + 1905SOL HW2 5815 3.342 2.503 1.554 + 1906SOL OW 5816 1.581 4.793 3.475 + 1906SOL HW1 5817 1.594 4.699 3.489 + 1906SOL HW2 5818 1.647 4.818 3.411 + 1907SOL OW 5819 0.029 4.144 0.984 + 1907SOL HW1 5820 5.952 4.180 0.939 + 1907SOL HW2 5821 0.100 4.151 0.920 + 1908SOL OW 5822 1.721 2.210 5.205 + 1908SOL HW1 5823 1.701 2.240 5.116 + 1908SOL HW2 5824 1.659 2.258 5.261 + 1909SOL OW 5825 2.256 3.039 0.292 + 1909SOL HW1 5826 2.310 3.066 0.218 + 1909SOL HW2 5827 2.184 2.989 0.253 + 1910SOL OW 5828 1.535 1.629 3.779 + 1910SOL HW1 5829 1.618 1.601 3.740 + 1910SOL HW2 5830 1.480 1.551 3.776 + 1911SOL OW 5831 4.842 1.495 2.722 + 1911SOL HW1 5832 4.828 1.575 2.671 + 1911SOL HW2 5833 4.761 1.484 2.771 + 1912SOL OW 5834 0.113 2.043 0.156 + 1912SOL HW1 5835 0.196 2.070 0.116 + 1912SOL HW2 5836 0.071 1.989 0.091 + 1913SOL OW 5837 1.407 3.055 3.508 + 1913SOL HW1 5838 1.326 3.069 3.556 + 1913SOL HW2 5839 1.392 2.973 3.460 + 1914SOL OW 5840 1.140 1.659 1.789 + 1914SOL HW1 5841 1.076 1.730 1.794 + 1914SOL HW2 5842 1.130 1.625 1.700 + 1915SOL OW 5843 3.957 4.384 3.917 + 1915SOL HW1 5844 3.998 4.412 3.999 + 1915SOL HW2 5845 4.000 4.302 3.895 + 1916SOL OW 5846 4.824 5.335 2.010 + 1916SOL HW1 5847 4.837 5.374 1.924 + 1916SOL HW2 5848 4.743 5.376 2.043 + 1917SOL OW 5849 3.940 2.294 0.554 + 1917SOL HW1 5850 4.029 2.328 0.563 + 1917SOL HW2 5851 3.888 2.345 0.616 + 1918SOL OW 5852 3.357 0.099 0.733 + 1918SOL HW1 5853 3.445 0.116 0.700 + 1918SOL HW2 5854 3.299 0.120 0.660 + 1919SOL OW 5855 4.946 4.414 4.853 + 1919SOL HW1 5856 4.985 4.340 4.806 + 1919SOL HW2 5857 4.950 4.487 4.791 + 1920SOL OW 5858 1.777 2.822 0.137 + 1920SOL HW1 5859 1.720 2.745 0.148 + 1920SOL HW2 5860 1.813 2.811 0.049 + 1921SOL OW 5861 2.371 1.855 0.195 + 1921SOL HW1 5862 2.457 1.873 0.234 + 1921SOL HW2 5863 2.366 1.759 0.192 + 1922SOL OW 5864 1.039 4.522 1.320 + 1922SOL HW1 5865 0.959 4.499 1.273 + 1922SOL HW2 5866 1.068 4.604 1.279 + 1923SOL OW 5867 5.097 1.204 2.590 + 1923SOL HW1 5868 5.136 1.213 2.503 + 1923SOL HW2 5869 5.003 1.210 2.575 + 1924SOL OW 5870 5.622 2.787 1.516 + 1924SOL HW1 5871 5.696 2.744 1.473 + 1924SOL HW2 5872 5.633 2.764 1.609 + 1925SOL OW 5873 3.724 0.240 2.553 + 1925SOL HW1 5874 3.748 0.331 2.538 + 1925SOL HW2 5875 3.743 0.226 2.646 + 1926SOL OW 5876 5.665 4.460 2.363 + 1926SOL HW1 5877 5.729 4.410 2.414 + 1926SOL HW2 5878 5.657 4.543 2.409 + 1927SOL OW 5879 5.019 4.166 3.188 + 1927SOL HW1 5880 4.962 4.131 3.257 + 1927SOL HW2 5881 4.961 4.178 3.113 + 1928SOL OW 5882 1.919 3.871 5.182 + 1928SOL HW1 5883 1.890 3.855 5.092 + 1928SOL HW2 5884 1.838 3.876 5.233 + 1929SOL OW 5885 1.997 4.454 5.525 + 1929SOL HW1 5886 2.002 4.439 5.431 + 1929SOL HW2 5887 1.964 4.372 5.561 + 1930SOL OW 5888 2.816 4.387 0.846 + 1930SOL HW1 5889 2.907 4.358 0.845 + 1930SOL HW2 5890 2.820 4.477 0.813 + 1931SOL OW 5891 0.558 0.908 5.486 + 1931SOL HW1 5892 0.485 0.896 5.426 + 1931SOL HW2 5893 0.636 0.903 5.430 + 1932SOL OW 5894 3.854 0.322 5.894 + 1932SOL HW1 5895 3.888 0.401 5.852 + 1932SOL HW2 5896 3.845 0.346 5.986 + 1933SOL OW 5897 0.845 1.230 2.962 + 1933SOL HW1 5898 0.898 1.208 3.038 + 1933SOL HW2 5899 0.888 1.184 2.889 + 1934SOL OW 5900 4.066 5.616 1.876 + 1934SOL HW1 5901 4.079 5.556 1.803 + 1934SOL HW2 5902 4.091 5.701 1.841 + 1935SOL OW 5903 4.172 4.174 4.019 + 1935SOL HW1 5904 4.267 4.175 4.032 + 1935SOL HW2 5905 4.154 4.090 3.976 + 1936SOL OW 5906 0.787 3.098 0.982 + 1936SOL HW1 5907 0.860 3.037 0.981 + 1936SOL HW2 5908 0.771 3.115 1.075 + 1937SOL OW 5909 2.316 1.703 5.503 + 1937SOL HW1 5910 2.318 1.781 5.559 + 1937SOL HW2 5911 2.254 1.724 5.434 + 1938SOL OW 5912 3.629 2.883 1.710 + 1938SOL HW1 5913 3.569 2.948 1.673 + 1938SOL HW2 5914 3.607 2.880 1.803 + 1939SOL OW 5915 3.992 5.170 3.125 + 1939SOL HW1 5916 3.999 5.085 3.167 + 1939SOL HW2 5917 3.908 5.205 3.153 + 1940SOL OW 5918 0.802 4.610 2.404 + 1940SOL HW1 5919 0.820 4.523 2.440 + 1940SOL HW2 5920 0.840 4.608 2.316 + 1941SOL OW 5921 1.649 4.510 4.689 + 1941SOL HW1 5922 1.644 4.419 4.717 + 1941SOL HW2 5923 1.692 4.507 4.604 + 1942SOL OW 5924 3.717 1.469 4.228 + 1942SOL HW1 5925 3.717 1.538 4.294 + 1942SOL HW2 5926 3.632 1.479 4.184 + 1943SOL OW 5927 2.995 4.341 5.859 + 1943SOL HW1 5928 2.910 4.309 5.832 + 1943SOL HW2 5929 2.988 4.436 5.852 + 1944SOL OW 5930 0.072 5.269 5.394 + 1944SOL HW1 5931 0.154 5.236 5.356 + 1944SOL HW2 5932 0.093 5.283 5.487 + 1945SOL OW 5933 3.602 3.122 4.634 + 1945SOL HW1 5934 3.580 3.212 4.610 + 1945SOL HW2 5935 3.554 3.107 4.716 + 1946SOL OW 5936 0.615 5.094 1.729 + 1946SOL HW1 5937 0.566 5.016 1.756 + 1946SOL HW2 5938 0.655 5.070 1.645 + 1947SOL OW 5939 4.047 5.447 4.438 + 1947SOL HW1 5940 4.130 5.468 4.396 + 1947SOL HW2 5941 4.071 5.401 4.518 + 1948SOL OW 5942 2.641 5.043 1.763 + 1948SOL HW1 5943 2.593 5.120 1.791 + 1948SOL HW2 5944 2.650 5.053 1.668 + 1949SOL OW 5945 4.116 2.169 1.999 + 1949SOL HW1 5946 4.165 2.123 2.068 + 1949SOL HW2 5947 4.168 2.155 1.920 + 1950SOL OW 5948 1.238 0.433 2.786 + 1950SOL HW1 5949 1.311 0.489 2.763 + 1950SOL HW2 5950 1.214 0.460 2.875 + 1951SOL OW 5951 0.569 0.019 3.927 + 1951SOL HW1 5952 0.605 0.069 4.000 + 1951SOL HW2 5953 0.479 0.001 3.952 + 1952SOL OW 5954 1.471 1.259 4.224 + 1952SOL HW1 5955 1.482 1.174 4.267 + 1952SOL HW2 5956 1.547 1.268 4.167 + 1953SOL OW 5957 2.170 0.635 3.082 + 1953SOL HW1 5958 2.140 0.616 2.994 + 1953SOL HW2 5959 2.261 0.661 3.071 + 1954SOL OW 5960 0.018 3.199 5.963 + 1954SOL HW1 5961 0.035 3.153 0.045 + 1954SOL HW2 5962 5.939 3.157 5.929 + 1955SOL OW 5963 0.179 1.047 1.535 + 1955SOL HW1 5964 0.226 1.097 1.468 + 1955SOL HW2 5965 0.195 1.094 1.617 + 1956SOL OW 5966 1.734 0.881 5.992 + 1956SOL HW1 5967 1.789 0.948 5.951 + 1956SOL HW2 5968 1.782 0.855 0.070 + 1957SOL OW 5969 0.656 1.944 0.847 + 1957SOL HW1 5970 0.605 2.020 0.873 + 1957SOL HW2 5971 0.591 1.874 0.837 + 1958SOL OW 5972 5.558 5.597 3.219 + 1958SOL HW1 5973 5.525 5.686 3.207 + 1958SOL HW2 5974 5.555 5.558 3.131 + 1959SOL OW 5975 4.101 5.746 1.301 + 1959SOL HW1 5976 4.189 5.770 1.273 + 1959SOL HW2 5977 4.043 5.791 1.240 + 1960SOL OW 5978 5.096 4.667 2.110 + 1960SOL HW1 5979 5.141 4.741 2.150 + 1960SOL HW2 5980 5.144 4.650 2.030 + 1961SOL OW 5981 5.652 0.860 3.310 + 1961SOL HW1 5982 5.597 0.933 3.336 + 1961SOL HW2 5983 5.668 0.874 3.217 + 1962SOL OW 5984 1.030 2.211 5.560 + 1962SOL HW1 5985 0.944 2.253 5.557 + 1962SOL HW2 5986 1.067 2.225 5.473 + 1963SOL OW 5987 3.526 3.352 0.122 + 1963SOL HW1 5988 3.510 3.434 0.170 + 1963SOL HW2 5989 3.576 3.298 0.183 + 1964SOL OW 5990 4.119 3.196 4.162 + 1964SOL HW1 5991 4.025 3.211 4.169 + 1964SOL HW2 5992 4.146 3.175 4.252 + 1965SOL OW 5993 3.908 3.845 1.175 + 1965SOL HW1 5994 3.968 3.786 1.221 + 1965SOL HW2 5995 3.875 3.792 1.103 + 1966SOL OW 5996 3.667 0.818 0.328 + 1966SOL HW1 5997 3.619 0.834 0.247 + 1966SOL HW2 5998 3.659 0.900 0.377 + 1967SOL OW 5999 2.284 1.908 5.695 + 1967SOL HW1 6000 2.331 1.912 5.778 + 1967SOL HW2 6001 2.192 1.902 5.720 + 1968SOL OW 6002 3.273 5.625 4.535 + 1968SOL HW1 6003 3.180 5.603 4.531 + 1968SOL HW2 6004 3.282 5.701 4.477 + 1969SOL OW 6005 1.339 1.959 2.853 + 1969SOL HW1 6006 1.379 2.041 2.823 + 1969SOL HW2 6007 1.405 1.892 2.837 + 1970SOL OW 6008 0.584 4.313 0.105 + 1970SOL HW1 6009 0.521 4.329 0.036 + 1970SOL HW2 6010 0.606 4.220 0.096 + 1971SOL OW 6011 4.745 4.427 1.205 + 1971SOL HW1 6012 4.791 4.412 1.123 + 1971SOL HW2 6013 4.697 4.345 1.221 + 1972SOL OW 6014 5.170 0.242 5.261 + 1972SOL HW1 6015 5.190 0.152 5.289 + 1972SOL HW2 6016 5.104 0.272 5.324 + 1973SOL OW 6017 0.599 1.805 5.033 + 1973SOL HW1 6018 0.674 1.841 4.985 + 1973SOL HW2 6019 0.596 1.855 5.114 + 1974SOL OW 6020 4.999 0.456 2.323 + 1974SOL HW1 6021 5.012 0.498 2.238 + 1974SOL HW2 6022 5.055 0.506 2.383 + 1975SOL OW 6023 2.952 5.887 1.420 + 1975SOL HW1 6024 2.888 5.873 1.490 + 1975SOL HW2 6025 2.929 5.972 1.383 + 1976SOL OW 6026 0.770 3.485 4.789 + 1976SOL HW1 6027 0.681 3.460 4.813 + 1976SOL HW2 6028 0.764 3.511 4.697 + 1977SOL OW 6029 3.069 0.479 1.046 + 1977SOL HW1 6030 3.150 0.429 1.045 + 1977SOL HW2 6031 3.032 0.468 0.959 + 1978SOL OW 6032 5.268 4.762 0.424 + 1978SOL HW1 6033 5.294 4.854 0.434 + 1978SOL HW2 6034 5.290 4.741 0.333 + 1979SOL OW 6035 4.690 3.302 1.980 + 1979SOL HW1 6036 4.698 3.333 1.890 + 1979SOL HW2 6037 4.616 3.351 2.016 + 1980SOL OW 6038 3.374 0.711 4.222 + 1980SOL HW1 6039 3.285 0.690 4.191 + 1980SOL HW2 6040 3.363 0.792 4.272 + 1981SOL OW 6041 5.974 5.831 1.945 + 1981SOL HW1 6042 5.926 5.892 1.889 + 1981SOL HW2 6043 0.065 5.840 1.918 + 1982SOL OW 6044 4.339 4.093 5.375 + 1982SOL HW1 6045 4.318 4.063 5.287 + 1982SOL HW2 6046 4.254 4.115 5.413 + 1983SOL OW 6047 3.015 2.945 0.040 + 1983SOL HW1 6048 3.040 3.009 5.972 + 1983SOL HW2 6049 2.956 2.885 5.995 + 1984SOL OW 6050 4.054 0.837 0.629 + 1984SOL HW1 6051 4.128 0.849 0.688 + 1984SOL HW2 6052 4.094 0.813 0.545 + 1985SOL OW 6053 3.736 2.773 4.984 + 1985SOL HW1 6054 3.778 2.703 5.033 + 1985SOL HW2 6055 3.799 2.845 4.987 + 1986SOL OW 6056 4.887 0.331 1.415 + 1986SOL HW1 6057 4.852 0.419 1.408 + 1986SOL HW2 6058 4.815 0.279 1.450 + 1987SOL OW 6059 1.338 2.268 4.933 + 1987SOL HW1 6060 1.380 2.349 4.962 + 1987SOL HW2 6061 1.295 2.234 5.011 + 1988SOL OW 6062 4.271 4.535 5.948 + 1988SOL HW1 6063 4.364 4.523 5.928 + 1988SOL HW2 6064 4.238 4.592 5.879 + 1989SOL OW 6065 0.999 1.228 4.653 + 1989SOL HW1 6066 0.915 1.187 4.673 + 1989SOL HW2 6067 0.977 1.315 4.621 + 1990SOL OW 6068 0.973 5.407 0.231 + 1990SOL HW1 6069 0.889 5.364 0.242 + 1990SOL HW2 6070 0.976 5.431 0.138 + 1991SOL OW 6071 0.590 2.856 4.938 + 1991SOL HW1 6072 0.681 2.839 4.914 + 1991SOL HW2 6073 0.541 2.845 4.857 + 1992SOL OW 6074 0.115 2.049 5.683 + 1992SOL HW1 6075 0.116 2.132 5.730 + 1992SOL HW2 6076 0.104 1.983 5.751 + 1993SOL OW 6077 2.808 0.907 1.501 + 1993SOL HW1 6078 2.728 0.941 1.541 + 1993SOL HW2 6079 2.821 0.821 1.542 + 1994SOL OW 6080 5.655 4.927 2.242 + 1994SOL HW1 6081 5.686 4.857 2.299 + 1994SOL HW2 6082 5.698 5.006 2.275 + 1995SOL OW 6083 4.104 5.241 0.892 + 1995SOL HW1 6084 4.178 5.302 0.884 + 1995SOL HW2 6085 4.065 5.263 0.977 + 1996SOL OW 6086 5.765 0.927 0.470 + 1996SOL HW1 6087 5.791 0.941 0.379 + 1996SOL HW2 6088 5.749 1.016 0.504 + 1997SOL OW 6089 2.066 4.674 2.940 + 1997SOL HW1 6090 2.013 4.746 2.973 + 1997SOL HW2 6091 2.003 4.605 2.919 + 1998SOL OW 6092 2.787 2.832 1.173 + 1998SOL HW1 6093 2.847 2.905 1.185 + 1998SOL HW2 6094 2.775 2.825 1.078 + 1999SOL OW 6095 4.535 1.595 3.167 + 1999SOL HW1 6096 4.599 1.582 3.237 + 1999SOL HW2 6097 4.566 1.671 3.119 + 2000SOL OW 6098 3.416 4.008 0.421 + 2000SOL HW1 6099 3.444 3.922 0.452 + 2000SOL HW2 6100 3.324 4.013 0.448 + 2001SOL OW 6101 2.487 1.136 1.051 + 2001SOL HW1 6102 2.456 1.136 0.961 + 2001SOL HW2 6103 2.469 1.225 1.082 + 2002SOL OW 6104 5.689 0.120 4.926 + 2002SOL HW1 6105 5.709 0.046 4.868 + 2002SOL HW2 6106 5.754 0.186 4.903 + 2003SOL OW 6107 5.789 3.506 3.234 + 2003SOL HW1 6108 5.829 3.422 3.257 + 2003SOL HW2 6109 5.695 3.489 3.234 + 2004SOL OW 6110 4.402 1.660 0.459 + 2004SOL HW1 6111 4.432 1.580 0.416 + 2004SOL HW2 6112 4.316 1.638 0.494 + 2005SOL OW 6113 1.494 1.210 4.762 + 2005SOL HW1 6114 1.449 1.248 4.687 + 2005SOL HW2 6115 1.519 1.122 4.734 + 2006SOL OW 6116 2.419 1.533 3.445 + 2006SOL HW1 6117 2.431 1.617 3.402 + 2006SOL HW2 6118 2.334 1.502 3.414 + 2007SOL OW 6119 1.366 0.370 1.427 + 2007SOL HW1 6120 1.379 0.321 1.509 + 2007SOL HW2 6121 1.427 0.444 1.435 + 2008SOL OW 6122 4.011 0.226 1.037 + 2008SOL HW1 6123 4.025 0.149 0.982 + 2008SOL HW2 6124 4.028 0.301 0.979 + 2009SOL OW 6125 4.088 5.333 2.911 + 2009SOL HW1 6126 4.061 5.273 2.980 + 2009SOL HW2 6127 4.007 5.378 2.886 + 2010SOL OW 6128 2.095 3.693 0.136 + 2010SOL HW1 6129 2.062 3.615 0.180 + 2010SOL HW2 6130 2.017 3.747 0.122 + 2011SOL OW 6131 4.497 1.538 5.642 + 2011SOL HW1 6132 4.415 1.575 5.674 + 2011SOL HW2 6133 4.559 1.612 5.643 + 2012SOL OW 6134 3.183 1.545 5.299 + 2012SOL HW1 6135 3.213 1.621 5.350 + 2012SOL HW2 6136 3.175 1.577 5.210 + 2013SOL OW 6137 5.608 1.110 0.863 + 2013SOL HW1 6138 5.685 1.059 0.840 + 2013SOL HW2 6139 5.636 1.165 0.936 + 2014SOL OW 6140 0.042 0.473 2.746 + 2014SOL HW1 6141 0.028 0.554 2.696 + 2014SOL HW2 6142 5.996 0.406 2.696 + 2015SOL OW 6143 0.195 0.501 4.588 + 2015SOL HW1 6144 0.191 0.495 4.492 + 2015SOL HW2 6145 0.260 0.435 4.613 + 2016SOL OW 6146 0.897 2.754 5.365 + 2016SOL HW1 6147 0.933 2.840 5.345 + 2016SOL HW2 6148 0.808 2.756 5.330 + 2017SOL OW 6149 1.688 3.723 2.300 + 2017SOL HW1 6150 1.754 3.784 2.266 + 2017SOL HW2 6151 1.719 3.702 2.389 + 2018SOL OW 6152 5.999 0.562 0.468 + 2018SOL HW1 6153 0.020 0.565 0.375 + 2018SOL HW2 6154 0.084 0.557 0.512 + 2019SOL OW 6155 4.192 0.398 5.980 + 2019SOL HW1 6156 4.191 0.474 5.922 + 2019SOL HW2 6157 4.124 0.340 5.945 + 2020SOL OW 6158 3.476 1.761 3.693 + 2020SOL HW1 6159 3.515 1.847 3.679 + 2020SOL HW2 6160 3.486 1.716 3.610 + 2021SOL OW 6161 2.137 3.832 5.339 + 2021SOL HW1 6162 2.069 3.838 5.272 + 2021SOL HW2 6163 2.097 3.868 5.418 + 2022SOL OW 6164 5.089 5.676 0.682 + 2022SOL HW1 6165 5.090 5.768 0.708 + 2022SOL HW2 6166 5.026 5.635 0.741 + 2023SOL OW 6167 2.044 4.000 3.421 + 2023SOL HW1 6168 2.088 3.923 3.387 + 2023SOL HW2 6169 2.102 4.034 3.489 + 2024SOL OW 6170 3.670 5.174 5.010 + 2024SOL HW1 6171 3.723 5.250 4.987 + 2024SOL HW2 6172 3.627 5.149 4.929 + 2025SOL OW 6173 2.143 5.433 0.596 + 2025SOL HW1 6174 2.169 5.483 0.673 + 2025SOL HW2 6175 2.068 5.381 0.625 + 2026SOL OW 6176 5.371 3.023 0.704 + 2026SOL HW1 6177 5.364 3.020 0.800 + 2026SOL HW2 6178 5.286 2.990 0.674 + 2027SOL OW 6179 4.910 2.151 1.160 + 2027SOL HW1 6180 4.970 2.184 1.227 + 2027SOL HW2 6181 4.858 2.085 1.206 + 2028SOL OW 6182 3.067 5.546 4.001 + 2028SOL HW1 6183 3.073 5.464 4.050 + 2028SOL HW2 6184 3.066 5.519 3.909 + 2029SOL OW 6185 1.519 4.712 1.571 + 2029SOL HW1 6186 1.577 4.737 1.499 + 2029SOL HW2 6187 1.575 4.660 1.629 + 2030SOL OW 6188 5.432 0.181 4.014 + 2030SOL HW1 6189 5.446 0.261 4.065 + 2030SOL HW2 6190 5.388 0.121 4.074 + 2031SOL OW 6191 0.543 4.031 1.241 + 2031SOL HW1 6192 0.535 4.022 1.146 + 2031SOL HW2 6193 0.547 4.126 1.256 + 2032SOL OW 6194 0.142 2.705 3.518 + 2032SOL HW1 6195 0.133 2.755 3.600 + 2032SOL HW2 6196 0.214 2.748 3.472 + 2033SOL OW 6197 4.382 1.040 5.026 + 2033SOL HW1 6198 4.385 1.091 5.107 + 2033SOL HW2 6199 4.383 0.949 5.056 + 2034SOL OW 6200 0.968 2.694 4.955 + 2034SOL HW1 6201 0.991 2.602 4.939 + 2034SOL HW2 6202 0.989 2.708 5.047 + 2035SOL OW 6203 2.084 3.267 5.325 + 2035SOL HW1 6204 2.091 3.313 5.409 + 2035SOL HW2 6205 2.013 3.312 5.279 + 2036SOL OW 6206 4.192 3.283 2.265 + 2036SOL HW1 6207 4.263 3.222 2.286 + 2036SOL HW2 6208 4.144 3.293 2.347 + 2037SOL OW 6209 2.093 3.420 3.520 + 2037SOL HW1 6210 2.002 3.392 3.528 + 2037SOL HW2 6211 2.105 3.432 3.426 + 2038SOL OW 6212 0.695 4.978 1.225 + 2038SOL HW1 6213 0.653 4.950 1.143 + 2038SOL HW2 6214 0.718 5.070 1.210 + 2039SOL OW 6215 3.297 3.830 0.973 + 2039SOL HW1 6216 3.267 3.848 0.884 + 2039SOL HW2 6217 3.228 3.865 1.029 + 2040SOL OW 6218 4.620 0.242 1.515 + 2040SOL HW1 6219 4.593 0.301 1.586 + 2040SOL HW2 6220 4.601 0.155 1.549 + 2041SOL OW 6221 5.033 3.305 5.018 + 2041SOL HW1 6222 5.050 3.399 5.021 + 2041SOL HW2 6223 4.993 3.285 5.103 + 2042SOL OW 6224 4.353 2.484 3.523 + 2042SOL HW1 6225 4.305 2.460 3.444 + 2042SOL HW2 6226 4.384 2.573 3.506 + 2043SOL OW 6227 3.249 4.228 0.837 + 2043SOL HW1 6228 3.283 4.185 0.915 + 2043SOL HW2 6229 3.238 4.157 0.774 + 2044SOL OW 6230 0.675 5.347 0.571 + 2044SOL HW1 6231 0.770 5.351 0.585 + 2044SOL HW2 6232 0.638 5.388 0.648 + 2045SOL OW 6233 0.194 4.117 4.088 + 2045SOL HW1 6234 0.286 4.126 4.062 + 2045SOL HW2 6235 0.176 4.195 4.142 + 2046SOL OW 6236 4.454 5.227 3.049 + 2046SOL HW1 6237 4.394 5.154 3.036 + 2046SOL HW2 6238 4.403 5.305 3.027 + 2047SOL OW 6239 2.775 4.584 5.171 + 2047SOL HW1 6240 2.812 4.644 5.107 + 2047SOL HW2 6241 2.817 4.500 5.153 + 2048SOL OW 6242 5.597 4.378 0.741 + 2048SOL HW1 6243 5.515 4.387 0.692 + 2048SOL HW2 6244 5.612 4.465 0.779 + 2049SOL OW 6245 5.927 0.627 5.778 + 2049SOL HW1 6246 5.876 0.649 5.699 + 2049SOL HW2 6247 5.872 0.563 5.824 + 2050SOL OW 6248 0.876 4.276 5.234 + 2050SOL HW1 6249 0.809 4.257 5.299 + 2050SOL HW2 6250 0.957 4.241 5.271 + 2051SOL OW 6251 3.100 1.879 3.277 + 2051SOL HW1 6252 3.081 1.826 3.355 + 2051SOL HW2 6253 3.015 1.915 3.252 + 2052SOL OW 6254 4.729 3.941 2.994 + 2052SOL HW1 6255 4.702 3.970 2.906 + 2052SOL HW2 6256 4.722 3.846 2.991 + 2053SOL OW 6257 2.490 5.736 3.922 + 2053SOL HW1 6258 2.415 5.677 3.929 + 2053SOL HW2 6259 2.544 5.716 3.999 + 2054SOL OW 6260 5.387 4.043 3.086 + 2054SOL HW1 6261 5.296 4.073 3.087 + 2054SOL HW2 6262 5.383 3.958 3.043 + 2055SOL OW 6263 5.239 0.593 2.544 + 2055SOL HW1 6264 5.297 0.659 2.582 + 2055SOL HW2 6265 5.296 0.519 2.527 + 2056SOL OW 6266 5.050 3.627 4.549 + 2056SOL HW1 6267 5.025 3.606 4.459 + 2056SOL HW2 6268 5.106 3.704 4.541 + 2057SOL OW 6269 2.393 0.509 4.220 + 2057SOL HW1 6270 2.378 0.543 4.308 + 2057SOL HW2 6271 2.317 0.454 4.202 + 2058SOL OW 6272 5.330 3.358 0.074 + 2058SOL HW1 6273 5.268 3.315 0.134 + 2058SOL HW2 6274 5.305 3.450 0.077 + 2059SOL OW 6275 5.724 2.969 5.426 + 2059SOL HW1 6276 5.769 2.999 5.505 + 2059SOL 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index 100% rename from simulations/helical_peptide_control/md/t_250/npt_new.gro rename to simulations/helical_peptide_control/md/long_peptide/t_250/npt_new.gro diff --git a/simulations/helical_peptide_control/md/t_250/npt_new.mdp b/simulations/helical_peptide_control/md/long_peptide/t_250/npt_new.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_250/npt_new.mdp rename to simulations/helical_peptide_control/md/long_peptide/t_250/npt_new.mdp diff --git a/simulations/helical_peptide_control/md/t_250/submit.berendsen_npt.slurm b/simulations/helical_peptide_control/md/long_peptide/t_250/submit.berendsen_npt.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_250/submit.berendsen_npt.slurm rename to simulations/helical_peptide_control/md/long_peptide/t_250/submit.berendsen_npt.slurm diff --git a/simulations/helical_peptide_control/md/t_250/submit.berendsen_nvt.slurm b/simulations/helical_peptide_control/md/long_peptide/t_250/submit.berendsen_nvt.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_250/submit.berendsen_nvt.slurm rename to simulations/helical_peptide_control/md/long_peptide/t_250/submit.berendsen_nvt.slurm diff --git a/simulations/helical_peptide_control/md/t_250/submit.continue.slurm b/simulations/helical_peptide_control/md/long_peptide/t_250/submit.continue.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_250/submit.continue.slurm rename to simulations/helical_peptide_control/md/long_peptide/t_250/submit.continue.slurm diff --git a/simulations/helical_peptide_control/md/t_250/submit.production.slurm b/simulations/helical_peptide_control/md/long_peptide/t_250/submit.production.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_250/submit.production.slurm rename to simulations/helical_peptide_control/md/long_peptide/t_250/submit.production.slurm diff --git a/simulations/helical_peptide_control/md/t_250/submit_all.slurm b/simulations/helical_peptide_control/md/long_peptide/t_250/submit_all.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_250/submit_all.slurm rename to simulations/helical_peptide_control/md/long_peptide/t_250/submit_all.slurm diff --git a/simulations/helical_peptide_control/md/long_peptide/t_250/system_hmr.top b/simulations/helical_peptide_control/md/long_peptide/t_250/system_hmr.top new file mode 100644 index 00000000..f313d4a7 --- /dev/null +++ b/simulations/helical_peptide_control/md/long_peptide/t_250/system_hmr.top @@ -0,0 +1,2052 @@ +; +; File system_hmr.top was generated +; By user: lenny (1000) +; On host:DESKTOP-HTCAJ46 +; At date:Fri. September 5 16:37:16 2023 +; +; This is a standalone topology file +; +; Created by: +; ParmEd: hmr_topology, VERSION4.1.0 +; Executable: hmr_topology +; Library dir: /usr/local/share/gromacs/top +; Command line: +; /home/lenny/anaconda3/envs/terphenyl/bin/hmr_topology -t system.top --hmr_ratio 3 -o system_hmr.top +; + +[ defaults ] +; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ +1 2 yes 0.5 0.833333 + +[ atomtypes ] +; name bond_type at.num mass charge ptype sigma epsilon +HC HC 1 1.008000 0.00000000 A 0.26495328 0.0656888 +CT CT 6 12.010000 0.00000000 A 0.33996695 0.4577296 +C C 6 12.010000 0.00000000 A 0.33996695 0.359824 +O O 8 16.000000 0.00000000 A 0.29599219 0.87864 +N N 7 14.010000 0.00000000 A 0.32499985 0.71128 +H H 1 1.008000 0.00000000 A 0.10690785 0.0656888 +CX CX 6 12.010000 0.00000000 A 0.33996695 0.4577296 +H1 H1 1 1.008000 0.00000000 A 0.2471353 0.0656888 +2C 2C 6 12.010000 0.00000000 A 0.33996695 0.4577296 +F F 9 19.000000 0.00000000 A 0.41034794 0.01407498 +K K 19 39.100000 0.00000000 A 0.30379646 0.81036925 +OW OW 8 16.000000 0.00000000 A 0.315061 0.636386 +HW HW 1 1.008000 0.00000000 A 0 0 + + +[ moleculetype ] +; Name nrexcl +system1 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 ACE rtp ACE q 0.0 + 1 HC 1 ACE H1 1 0.11230000 3.024000 ; qtot 0.112300 + 2 CT 1 ACE CH3 2 -0.36620000 5.962000 ; qtot -0.253900 + 3 HC 1 ACE H2 3 0.11230000 3.024000 ; qtot -0.141600 + 4 HC 1 ACE H3 4 0.11230000 3.024000 ; qtot -0.029300 + 5 C 1 ACE C 5 0.59720000 12.010000 ; qtot 0.567900 + 6 O 1 ACE O 6 -0.56790000 16.000000 ; qtot 0.000000 +; residue 2 ALA rtp ALA q 0.0 + 7 N 2 ALA N 7 -0.41570000 11.994000 ; qtot -0.415700 + 8 H 2 ALA H 8 0.27190000 3.024000 ; qtot -0.143800 + 9 CX 2 ALA CA 9 0.03370000 9.994000 ; qtot -0.110100 + 10 H1 2 ALA HA 10 0.08230000 3.024000 ; qtot -0.027800 + 11 CT 2 ALA CB 11 -0.18250000 5.962000 ; qtot -0.210300 + 12 HC 2 ALA HB1 12 0.06030000 3.024000 ; qtot -0.150000 + 13 HC 2 ALA HB2 13 0.06030000 3.024000 ; qtot -0.089700 + 14 HC 2 ALA HB3 14 0.06030000 3.024000 ; qtot -0.029400 + 15 C 2 ALA C 15 0.59730000 12.010000 ; qtot 0.567900 + 16 O 2 ALA O 16 -0.56790000 16.000000 ; qtot 0.000000 +; residue 3 ALA rtp ALA q 0.0 + 17 N 3 ALA N 17 -0.41570000 11.994000 ; qtot -0.415700 + 18 H 3 ALA H 18 0.27190000 3.024000 ; qtot -0.143800 + 19 CX 3 ALA CA 19 0.03370000 9.994000 ; qtot -0.110100 + 20 H1 3 ALA HA 20 0.08230000 3.024000 ; qtot -0.027800 + 21 CT 3 ALA CB 21 -0.18250000 5.962000 ; qtot -0.210300 + 22 HC 3 ALA HB1 22 0.06030000 3.024000 ; qtot -0.150000 + 23 HC 3 ALA HB2 23 0.06030000 3.024000 ; qtot -0.089700 + 24 HC 3 ALA HB3 24 0.06030000 3.024000 ; qtot -0.029400 + 25 C 3 ALA C 25 0.59730000 12.010000 ; qtot 0.567900 + 26 O 3 ALA O 26 -0.56790000 16.000000 ; qtot 0.000000 +; residue 4 GLN rtp GLN q 0.0 + 27 N 4 GLN N 27 -0.41570000 11.994000 ; qtot -0.415700 + 28 H 4 GLN H 28 0.27190000 3.024000 ; qtot -0.143800 + 29 CX 4 GLN CA 29 -0.00310000 9.994000 ; qtot -0.146900 + 30 H1 4 GLN HA 30 0.08500000 3.024000 ; qtot -0.061900 + 31 2C 4 GLN CB 31 -0.00360000 7.978000 ; qtot -0.065500 + 32 HC 4 GLN HB2 32 0.01710000 3.024000 ; qtot -0.048400 + 33 HC 4 GLN HB3 33 0.01710000 3.024000 ; qtot -0.031300 + 34 2C 4 GLN CG 34 -0.06450000 7.978000 ; qtot -0.095800 + 35 HC 4 GLN HG2 35 0.03520000 3.024000 ; qtot -0.060600 + 36 HC 4 GLN HG3 36 0.03520000 3.024000 ; qtot -0.025400 + 37 C 4 GLN CD 37 0.69510000 12.010000 ; qtot 0.669700 + 38 O 4 GLN OE1 38 -0.60860000 16.000000 ; qtot 0.061100 + 39 N 4 GLN NE2 39 -0.94070000 9.978000 ; qtot -0.879600 + 40 H 4 GLN HE21 40 0.42510000 3.024000 ; qtot -0.454500 + 41 H 4 GLN HE22 41 0.42510000 3.024000 ; qtot -0.029400 + 42 C 4 GLN C 42 0.59730000 12.010000 ; qtot 0.567900 + 43 O 4 GLN O 43 -0.56790000 16.000000 ; qtot 0.000000 +; residue 5 ALA rtp ALA q 0.0 + 44 N 5 ALA N 44 -0.41570000 11.994000 ; qtot -0.415700 + 45 H 5 ALA H 45 0.27190000 3.024000 ; qtot -0.143800 + 46 CX 5 ALA CA 46 0.03370000 9.994000 ; qtot -0.110100 + 47 H1 5 ALA HA 47 0.08230000 3.024000 ; qtot -0.027800 + 48 CT 5 ALA CB 48 -0.18250000 5.962000 ; qtot -0.210300 + 49 HC 5 ALA HB1 49 0.06030000 3.024000 ; qtot -0.150000 + 50 HC 5 ALA HB2 50 0.06030000 3.024000 ; qtot -0.089700 + 51 HC 5 ALA HB3 51 0.06030000 3.024000 ; qtot -0.029400 + 52 C 5 ALA C 52 0.59730000 12.010000 ; qtot 0.567900 + 53 O 5 ALA O 53 -0.56790000 16.000000 ; qtot 0.000000 +; residue 6 ALA rtp ALA q 0.0 + 54 N 6 ALA N 54 -0.41570000 11.994000 ; qtot -0.415700 + 55 H 6 ALA H 55 0.27190000 3.024000 ; qtot -0.143800 + 56 CX 6 ALA CA 56 0.03370000 9.994000 ; qtot -0.110100 + 57 H1 6 ALA HA 57 0.08230000 3.024000 ; qtot -0.027800 + 58 CT 6 ALA CB 58 -0.18250000 5.962000 ; qtot -0.210300 + 59 HC 6 ALA HB1 59 0.06030000 3.024000 ; qtot -0.150000 + 60 HC 6 ALA HB2 60 0.06030000 3.024000 ; qtot -0.089700 + 61 HC 6 ALA HB3 61 0.06030000 3.024000 ; qtot -0.029400 + 62 C 6 ALA C 62 0.59730000 12.010000 ; qtot 0.567900 + 63 O 6 ALA O 63 -0.56790000 16.000000 ; qtot 0.000000 +; residue 7 ALA rtp ALA q 0.0 + 64 N 7 ALA N 64 -0.41570000 11.994000 ; qtot -0.415700 + 65 H 7 ALA H 65 0.27190000 3.024000 ; qtot -0.143800 + 66 CX 7 ALA CA 66 0.03370000 9.994000 ; qtot -0.110100 + 67 H1 7 ALA HA 67 0.08230000 3.024000 ; qtot -0.027800 + 68 CT 7 ALA CB 68 -0.18250000 5.962000 ; qtot -0.210300 + 69 HC 7 ALA HB1 69 0.06030000 3.024000 ; qtot -0.150000 + 70 HC 7 ALA HB2 70 0.06030000 3.024000 ; qtot -0.089700 + 71 HC 7 ALA HB3 71 0.06030000 3.024000 ; qtot -0.029400 + 72 C 7 ALA C 72 0.59730000 12.010000 ; qtot 0.567900 + 73 O 7 ALA O 73 -0.56790000 16.000000 ; qtot 0.000000 +; residue 8 ALA rtp ALA q 0.0 + 74 N 8 ALA N 74 -0.41570000 11.994000 ; qtot -0.415700 + 75 H 8 ALA H 75 0.27190000 3.024000 ; qtot -0.143800 + 76 CX 8 ALA CA 76 0.03370000 9.994000 ; qtot -0.110100 + 77 H1 8 ALA HA 77 0.08230000 3.024000 ; qtot -0.027800 + 78 CT 8 ALA CB 78 -0.18250000 5.962000 ; qtot -0.210300 + 79 HC 8 ALA HB1 79 0.06030000 3.024000 ; qtot -0.150000 + 80 HC 8 ALA HB2 80 0.06030000 3.024000 ; qtot -0.089700 + 81 HC 8 ALA HB3 81 0.06030000 3.024000 ; qtot -0.029400 + 82 C 8 ALA C 82 0.59730000 12.010000 ; qtot 0.567900 + 83 O 8 ALA O 83 -0.56790000 16.000000 ; qtot 0.000000 +; residue 9 GLN rtp GLN q 0.0 + 84 N 9 GLN N 84 -0.41570000 11.994000 ; qtot -0.415700 + 85 H 9 GLN H 85 0.27190000 3.024000 ; qtot -0.143800 + 86 CX 9 GLN CA 86 -0.00310000 9.994000 ; qtot -0.146900 + 87 H1 9 GLN HA 87 0.08500000 3.024000 ; qtot -0.061900 + 88 2C 9 GLN CB 88 -0.00360000 7.978000 ; qtot -0.065500 + 89 HC 9 GLN HB2 89 0.01710000 3.024000 ; qtot -0.048400 + 90 HC 9 GLN HB3 90 0.01710000 3.024000 ; qtot -0.031300 + 91 2C 9 GLN CG 91 -0.06450000 7.978000 ; qtot -0.095800 + 92 HC 9 GLN HG2 92 0.03520000 3.024000 ; qtot -0.060600 + 93 HC 9 GLN HG3 93 0.03520000 3.024000 ; qtot -0.025400 + 94 C 9 GLN CD 94 0.69510000 12.010000 ; qtot 0.669700 + 95 O 9 GLN OE1 95 -0.60860000 16.000000 ; qtot 0.061100 + 96 N 9 GLN NE2 96 -0.94070000 9.978000 ; qtot -0.879600 + 97 H 9 GLN HE21 97 0.42510000 3.024000 ; qtot -0.454500 + 98 H 9 GLN HE22 98 0.42510000 3.024000 ; qtot -0.029400 + 99 C 9 GLN C 99 0.59730000 12.010000 ; qtot 0.567900 + 100 O 9 GLN O 100 -0.56790000 16.000000 ; qtot 0.000000 +; residue 10 ALA rtp ALA q 0.0 + 101 N 10 ALA N 101 -0.41570000 11.994000 ; qtot -0.415700 + 102 H 10 ALA H 102 0.27190000 3.024000 ; qtot -0.143800 + 103 CX 10 ALA CA 103 0.03370000 9.994000 ; qtot -0.110100 + 104 H1 10 ALA HA 104 0.08230000 3.024000 ; qtot -0.027800 + 105 CT 10 ALA CB 105 -0.18250000 5.962000 ; qtot -0.210300 + 106 HC 10 ALA HB1 106 0.06030000 3.024000 ; qtot -0.150000 + 107 HC 10 ALA HB2 107 0.06030000 3.024000 ; qtot -0.089700 + 108 HC 10 ALA HB3 108 0.06030000 3.024000 ; qtot -0.029400 + 109 C 10 ALA C 109 0.59730000 12.010000 ; qtot 0.567900 + 110 O 10 ALA O 110 -0.56790000 16.000000 ; qtot 0.000000 +; residue 11 ALA rtp ALA q 0.0 + 111 N 11 ALA N 111 -0.41570000 11.994000 ; qtot -0.415700 + 112 H 11 ALA H 112 0.27190000 3.024000 ; qtot -0.143800 + 113 CX 11 ALA CA 113 0.03370000 9.994000 ; qtot -0.110100 + 114 H1 11 ALA HA 114 0.08230000 3.024000 ; qtot -0.027800 + 115 CT 11 ALA CB 115 -0.18250000 5.962000 ; qtot -0.210300 + 116 HC 11 ALA HB1 116 0.06030000 3.024000 ; qtot -0.150000 + 117 HC 11 ALA HB2 117 0.06030000 3.024000 ; qtot -0.089700 + 118 HC 11 ALA HB3 118 0.06030000 3.024000 ; qtot -0.029400 + 119 C 11 ALA C 119 0.59730000 12.010000 ; qtot 0.567900 + 120 O 11 ALA O 120 -0.56790000 16.000000 ; qtot 0.000000 +; residue 12 ALA rtp ALA q 0.0 + 121 N 12 ALA N 121 -0.41570000 11.994000 ; qtot -0.415700 + 122 H 12 ALA H 122 0.27190000 3.024000 ; qtot -0.143800 + 123 CX 12 ALA CA 123 0.03370000 9.994000 ; qtot -0.110100 + 124 H1 12 ALA HA 124 0.08230000 3.024000 ; qtot -0.027800 + 125 CT 12 ALA CB 125 -0.18250000 5.962000 ; qtot -0.210300 + 126 HC 12 ALA HB1 126 0.06030000 3.024000 ; qtot -0.150000 + 127 HC 12 ALA HB2 127 0.06030000 3.024000 ; qtot -0.089700 + 128 HC 12 ALA HB3 128 0.06030000 3.024000 ; qtot -0.029400 + 129 C 12 ALA C 129 0.59730000 12.010000 ; qtot 0.567900 + 130 O 12 ALA O 130 -0.56790000 16.000000 ; qtot 0.000000 +; residue 13 ALA rtp ALA q 0.0 + 131 N 13 ALA N 131 -0.41570000 11.994000 ; qtot -0.415700 + 132 H 13 ALA H 132 0.27190000 3.024000 ; qtot -0.143800 + 133 CX 13 ALA CA 133 0.03370000 9.994000 ; qtot -0.110100 + 134 H1 13 ALA HA 134 0.08230000 3.024000 ; qtot -0.027800 + 135 CT 13 ALA CB 135 -0.18250000 5.962000 ; qtot -0.210300 + 136 HC 13 ALA HB1 136 0.06030000 3.024000 ; qtot -0.150000 + 137 HC 13 ALA HB2 137 0.06030000 3.024000 ; qtot -0.089700 + 138 HC 13 ALA HB3 138 0.06030000 3.024000 ; qtot -0.029400 + 139 C 13 ALA C 139 0.59730000 12.010000 ; qtot 0.567900 + 140 O 13 ALA O 140 -0.56790000 16.000000 ; qtot 0.000000 +; residue 14 GLN rtp GLN q 0.0 + 141 N 14 GLN N 141 -0.41570000 11.994000 ; qtot -0.415700 + 142 H 14 GLN H 142 0.27190000 3.024000 ; qtot -0.143800 + 143 CX 14 GLN CA 143 -0.00310000 9.994000 ; qtot -0.146900 + 144 H1 14 GLN HA 144 0.08500000 3.024000 ; qtot -0.061900 + 145 2C 14 GLN CB 145 -0.00360000 7.978000 ; qtot -0.065500 + 146 HC 14 GLN HB2 146 0.01710000 3.024000 ; qtot -0.048400 + 147 HC 14 GLN HB3 147 0.01710000 3.024000 ; qtot -0.031300 + 148 2C 14 GLN CG 148 -0.06450000 7.978000 ; qtot -0.095800 + 149 HC 14 GLN HG2 149 0.03520000 3.024000 ; qtot -0.060600 + 150 HC 14 GLN HG3 150 0.03520000 3.024000 ; qtot -0.025400 + 151 C 14 GLN CD 151 0.69510000 12.010000 ; qtot 0.669700 + 152 O 14 GLN OE1 152 -0.60860000 16.000000 ; qtot 0.061100 + 153 N 14 GLN NE2 153 -0.94070000 9.978000 ; qtot -0.879600 + 154 H 14 GLN HE21 154 0.42510000 3.024000 ; qtot -0.454500 + 155 H 14 GLN HE22 155 0.42510000 3.024000 ; qtot -0.029400 + 156 C 14 GLN C 156 0.59730000 12.010000 ; qtot 0.567900 + 157 O 14 GLN O 157 -0.56790000 16.000000 ; qtot 0.000000 +; residue 15 ALA rtp ALA q 0.0 + 158 N 15 ALA N 158 -0.41570000 11.994000 ; qtot -0.415700 + 159 H 15 ALA H 159 0.27190000 3.024000 ; qtot -0.143800 + 160 CX 15 ALA CA 160 0.03370000 9.994000 ; qtot -0.110100 + 161 H1 15 ALA HA 161 0.08230000 3.024000 ; qtot -0.027800 + 162 CT 15 ALA CB 162 -0.18250000 5.962000 ; qtot -0.210300 + 163 HC 15 ALA HB1 163 0.06030000 3.024000 ; qtot -0.150000 + 164 HC 15 ALA HB2 164 0.06030000 3.024000 ; qtot -0.089700 + 165 HC 15 ALA HB3 165 0.06030000 3.024000 ; qtot -0.029400 + 166 C 15 ALA C 166 0.59730000 12.010000 ; qtot 0.567900 + 167 O 15 ALA O 167 -0.56790000 16.000000 ; qtot 0.000000 +; residue 16 ALA rtp ALA q 0.0 + 168 N 16 ALA N 168 -0.41570000 11.994000 ; qtot -0.415700 + 169 H 16 ALA H 169 0.27190000 3.024000 ; qtot -0.143800 + 170 CX 16 ALA CA 170 0.03370000 9.994000 ; qtot -0.110100 + 171 H1 16 ALA HA 171 0.08230000 3.024000 ; qtot -0.027800 + 172 CT 16 ALA CB 172 -0.18250000 5.962000 ; qtot -0.210300 + 173 HC 16 ALA HB1 173 0.06030000 3.024000 ; qtot -0.150000 + 174 HC 16 ALA HB2 174 0.06030000 3.024000 ; qtot -0.089700 + 175 HC 16 ALA HB3 175 0.06030000 3.024000 ; qtot -0.029400 + 176 C 16 ALA C 176 0.59730000 12.010000 ; qtot 0.567900 + 177 O 16 ALA O 177 -0.56790000 16.000000 ; qtot 0.000000 +; residue 17 NME rtp NME q -0.0 + 178 N 17 NME N 178 -0.41570000 11.994000 ; qtot -0.415700 + 179 H 17 NME H 179 0.27190000 3.024000 ; qtot -0.143800 + 180 CT 17 NME C 180 -0.14900000 5.962000 ; qtot -0.292800 + 181 H1 17 NME H1 181 0.09760000 3.024000 ; qtot -0.195200 + 182 H1 17 NME H2 182 0.09760000 3.024000 ; qtot -0.097600 + 183 H1 17 NME H3 183 0.09760000 3.024000 ; qtot 0.000000 + +[ bonds ] +; ai aj funct c0 c1 c2 c3 + 1 2 1 0.10900 284512.000000 + 2 3 1 0.10900 284512.000000 + 2 4 1 0.10900 284512.000000 + 2 5 1 0.15220 265265.600000 + 5 6 1 0.12290 476976.000000 + 5 7 1 0.13350 410032.000000 + 7 8 1 0.10100 363171.200000 + 7 9 1 0.14490 282001.600000 + 9 10 1 0.10900 284512.000000 + 9 11 1 0.15260 259408.000000 + 9 15 1 0.15220 265265.600000 + 11 12 1 0.10900 284512.000000 + 11 13 1 0.10900 284512.000000 + 11 14 1 0.10900 284512.000000 + 15 16 1 0.12290 476976.000000 + 15 17 1 0.13350 410032.000000 + 17 18 1 0.10100 363171.200000 + 17 19 1 0.14490 282001.600000 + 19 20 1 0.10900 284512.000000 + 19 21 1 0.15260 259408.000000 + 19 25 1 0.15220 265265.600000 + 21 22 1 0.10900 284512.000000 + 21 23 1 0.10900 284512.000000 + 21 24 1 0.10900 284512.000000 + 25 26 1 0.12290 476976.000000 + 25 27 1 0.13350 410032.000000 + 27 28 1 0.10100 363171.200000 + 27 29 1 0.14490 282001.600000 + 29 30 1 0.10900 284512.000000 + 29 31 1 0.15260 259408.000000 + 29 42 1 0.15220 265265.600000 + 31 32 1 0.10900 284512.000000 + 31 33 1 0.10900 284512.000000 + 31 34 1 0.15260 259408.000000 + 34 35 1 0.10900 284512.000000 + 34 36 1 0.10900 284512.000000 + 34 37 1 0.15220 265265.600000 + 37 38 1 0.12290 476976.000000 + 37 39 1 0.13350 410032.000000 + 39 40 1 0.10100 363171.200000 + 39 41 1 0.10100 363171.200000 + 42 43 1 0.12290 476976.000000 + 42 44 1 0.13350 410032.000000 + 44 45 1 0.10100 363171.200000 + 44 46 1 0.14490 282001.600000 + 46 47 1 0.10900 284512.000000 + 46 48 1 0.15260 259408.000000 + 46 52 1 0.15220 265265.600000 + 48 49 1 0.10900 284512.000000 + 48 50 1 0.10900 284512.000000 + 48 51 1 0.10900 284512.000000 + 52 53 1 0.12290 476976.000000 + 52 54 1 0.13350 410032.000000 + 54 55 1 0.10100 363171.200000 + 54 56 1 0.14490 282001.600000 + 56 57 1 0.10900 284512.000000 + 56 58 1 0.15260 259408.000000 + 56 62 1 0.15220 265265.600000 + 58 59 1 0.10900 284512.000000 + 58 60 1 0.10900 284512.000000 + 58 61 1 0.10900 284512.000000 + 62 63 1 0.12290 476976.000000 + 62 64 1 0.13350 410032.000000 + 64 65 1 0.10100 363171.200000 + 64 66 1 0.14490 282001.600000 + 66 67 1 0.10900 284512.000000 + 66 68 1 0.15260 259408.000000 + 66 72 1 0.15220 265265.600000 + 68 69 1 0.10900 284512.000000 + 68 70 1 0.10900 284512.000000 + 68 71 1 0.10900 284512.000000 + 72 73 1 0.12290 476976.000000 + 72 74 1 0.13350 410032.000000 + 74 75 1 0.10100 363171.200000 + 74 76 1 0.14490 282001.600000 + 76 77 1 0.10900 284512.000000 + 76 78 1 0.15260 259408.000000 + 76 82 1 0.15220 265265.600000 + 78 79 1 0.10900 284512.000000 + 78 80 1 0.10900 284512.000000 + 78 81 1 0.10900 284512.000000 + 82 83 1 0.12290 476976.000000 + 82 84 1 0.13350 410032.000000 + 84 85 1 0.10100 363171.200000 + 84 86 1 0.14490 282001.600000 + 86 87 1 0.10900 284512.000000 + 86 88 1 0.15260 259408.000000 + 86 99 1 0.15220 265265.600000 + 88 89 1 0.10900 284512.000000 + 88 90 1 0.10900 284512.000000 + 88 91 1 0.15260 259408.000000 + 91 92 1 0.10900 284512.000000 + 91 93 1 0.10900 284512.000000 + 91 94 1 0.15220 265265.600000 + 94 95 1 0.12290 476976.000000 + 94 96 1 0.13350 410032.000000 + 96 97 1 0.10100 363171.200000 + 96 98 1 0.10100 363171.200000 + 99 100 1 0.12290 476976.000000 + 99 101 1 0.13350 410032.000000 + 101 102 1 0.10100 363171.200000 + 101 103 1 0.14490 282001.600000 + 103 104 1 0.10900 284512.000000 + 103 105 1 0.15260 259408.000000 + 103 109 1 0.15220 265265.600000 + 105 106 1 0.10900 284512.000000 + 105 107 1 0.10900 284512.000000 + 105 108 1 0.10900 284512.000000 + 109 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] +; Name nrexcl +K 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 K rtp K q 1.0 + 1 K 1 K K 1 1.00000000 39.100000 ; qtot 1.000000 + + +[ moleculetype ] +; Name nrexcl +SOL 3 + +[ atoms ] +; nr type resnr residue atom cgnr charge mass typeB chargeB massB +; residue 1 SOL rtp SOL q 0.0 + 1 OW 1 SOL OW 1 -0.83400000 11.968000 ; qtot -0.834000 + 2 HW 1 SOL HW1 2 0.41700000 3.024000 ; qtot -0.417000 + 3 HW 1 SOL HW2 3 0.41700000 3.024000 ; qtot 0.000000 + +#ifdef FLEXIBLE + +[ bonds ] +; ai aj funct c0 c1 c2 c3 + 1 2 1 0.09572 502416.000000 + 1 3 1 0.09572 502416.000000 + +[ angles ] +; ai aj ak funct c0 c1 c2 c3 + 2 1 3 1 104.5200000 628.020000 + + +#else + +[ settles ] +; i funct doh dhh +1 1 0.09572000 0.15139007 + +#endif + +[ exclusions ] +1 2 3 +2 1 3 +3 1 2 + +[ system ] +; Name +Solvated (AAQAA)3 peptide + +[ molecules ] +; Compound #mols +system1 1 +F 8 +K 8 +SOL 2133 diff --git a/simulations/helical_peptide_control/md/cv1_temp.csv b/simulations/helical_peptide_control/md/short_peptide/cv1_temp.csv similarity index 100% rename from simulations/helical_peptide_control/md/cv1_temp.csv rename to simulations/helical_peptide_control/md/short_peptide/cv1_temp.csv diff --git a/simulations/helical_peptide_control/md/cv2_temp.csv b/simulations/helical_peptide_control/md/short_peptide/cv2_temp.csv similarity index 100% rename from simulations/helical_peptide_control/md/cv2_temp.csv rename to simulations/helical_peptide_control/md/short_peptide/cv2_temp.csv diff --git a/simulations/helical_peptide_control/md/cv3_temp.csv b/simulations/helical_peptide_control/md/short_peptide/cv3_temp.csv similarity index 100% rename from simulations/helical_peptide_control/md/cv3_temp.csv rename to simulations/helical_peptide_control/md/short_peptide/cv3_temp.csv diff --git a/simulations/helical_peptide_control/md/cv4_temp.csv b/simulations/helical_peptide_control/md/short_peptide/cv4_temp.csv similarity index 100% rename from simulations/helical_peptide_control/md/cv4_temp.csv rename to simulations/helical_peptide_control/md/short_peptide/cv4_temp.csv diff --git a/simulations/helical_peptide_control/md/em_helix.gro b/simulations/helical_peptide_control/md/short_peptide/em_helix.gro similarity index 100% rename from simulations/helical_peptide_control/md/em_helix.gro rename to simulations/helical_peptide_control/md/short_peptide/em_helix.gro diff --git a/simulations/helical_peptide_control/md/em_helix.pdb b/simulations/helical_peptide_control/md/short_peptide/em_helix.pdb similarity index 100% rename from simulations/helical_peptide_control/md/em_helix.pdb rename to simulations/helical_peptide_control/md/short_peptide/em_helix.pdb diff --git a/simulations/helical_peptide_control/md/plumed_multi_cv.dat b/simulations/helical_peptide_control/md/short_peptide/plumed_multi_cv.dat similarity index 100% rename from simulations/helical_peptide_control/md/plumed_multi_cv.dat rename to simulations/helical_peptide_control/md/short_peptide/plumed_multi_cv.dat diff --git a/simulations/helical_peptide_control/md/short_peptide/t_250/berendsen_npt.gro b/simulations/helical_peptide_control/md/short_peptide/t_250/berendsen_npt.gro new file mode 100644 index 00000000..3f00c59f --- /dev/null +++ b/simulations/helical_peptide_control/md/short_peptide/t_250/berendsen_npt.gro @@ -0,0 +1,6544 @@ +Peptide in water + 6541 + 1ACE H1 1 0.568 3.447 0.645 0.0978 0.5868 -0.0859 + 1ACE CH3 2 0.551 3.401 0.742 -0.5386 -0.0060 -0.4580 + 1ACE H2 3 0.532 3.294 0.735 0.4291 -0.2105 -0.2607 + 1ACE H3 4 0.462 3.433 0.798 0.0307 -0.5564 0.8525 + 1ACE C 5 0.674 3.410 0.830 0.6515 0.0151 0.3189 + 1ACE O 6 0.777 3.462 0.785 0.3114 0.0122 -0.0757 + 2ALA N 7 0.657 3.358 0.951 -0.1419 -0.5076 0.0635 + 2ALA H 8 0.566 3.325 0.979 -0.0328 0.0255 1.1540 + 2ALA CA 9 0.757 3.378 1.059 -0.0276 -0.0894 -0.8180 + 2ALA HA 10 0.782 3.483 1.077 -0.6506 -0.1201 0.3944 + 2ALA CB 11 0.687 3.348 1.192 -0.2166 -0.2679 -0.0671 + 2ALA HB1 12 0.756 3.363 1.274 0.6562 -1.0104 -0.6298 + 2ALA HB2 13 0.608 3.422 1.203 0.3400 0.3129 0.1476 + 2ALA HB3 14 0.653 3.245 1.198 -0.3836 -0.1807 0.5184 + 2ALA C 15 0.883 3.288 1.045 0.4502 0.2415 -0.1420 + 2ALA O 16 0.983 3.318 1.110 -0.3994 -0.0562 -0.0524 + 3ALA N 17 0.881 3.175 0.971 -0.5391 0.3381 -0.5876 + 3ALA H 18 0.796 3.129 0.942 0.0311 -1.0444 -0.2582 + 3ALA CA 19 1.008 3.112 0.931 -0.0276 -0.6589 -0.0545 + 3ALA HA 20 1.070 3.103 1.020 0.1773 -0.2823 -0.1532 + 3ALA CB 21 0.979 2.979 0.870 0.0283 0.3280 -0.2412 + 3ALA HB1 22 0.925 2.990 0.776 -0.3457 2.0178 0.1102 + 3ALA HB2 23 1.079 2.939 0.852 0.2352 0.7831 -0.1377 + 3ALA HB3 24 0.921 2.917 0.939 -0.0549 0.2612 -0.3713 + 3ALA C 25 1.088 3.200 0.832 0.4491 0.3952 0.5125 + 3ALA O 26 1.206 3.227 0.849 -1.2325 -0.7198 0.2162 + 4GLN N 27 1.020 3.258 0.729 0.3120 0.1299 0.3471 + 4GLN H 28 0.920 3.241 0.730 0.2523 0.4128 1.1998 + 4GLN CA 29 1.076 3.340 0.627 -0.4855 -0.2582 0.0845 + 4GLN HA 30 1.163 3.289 0.586 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2392 3.341 2.408 2.556 0.5864 0.0073 -1.2628 + 779SOL OW 2393 2.602 0.490 3.791 -0.1430 -0.3570 0.3653 + 779SOL HW1 2394 2.519 0.449 3.814 -0.2759 -0.1349 0.2895 + 779SOL HW2 2395 2.577 0.569 3.742 0.1213 -0.5213 -0.0442 + 780SOL OW 2396 2.013 0.058 2.130 -0.2285 0.0079 -0.3597 + 780SOL HW1 2397 1.940 0.007 2.094 -0.9934 0.8825 -0.1453 + 780SOL HW2 2398 2.026 0.128 2.067 -0.5692 0.6850 0.2911 + 781SOL OW 2399 2.816 0.872 1.143 0.2220 -0.0917 0.1803 + 781SOL HW1 2400 2.911 0.872 1.128 0.1021 0.1115 -0.7073 + 781SOL HW2 2401 2.795 0.963 1.164 0.0645 0.1652 -0.9630 + 782SOL OW 2402 2.548 0.611 0.482 -0.3166 -0.3321 0.2274 + 782SOL HW1 2403 2.576 0.703 0.479 -0.6511 -0.2324 0.1001 + 782SOL HW2 2404 2.630 0.562 0.493 -0.0985 -0.0427 -0.0561 + 783SOL OW 2405 1.653 3.409 3.708 0.0921 -0.2784 -0.2827 + 783SOL HW1 2406 1.670 3.383 3.798 -0.7180 -0.6012 -0.2148 + 783SOL HW2 2407 1.560 3.391 3.694 -0.2577 1.4386 -0.6202 + 784SOL OW 2408 0.119 1.253 2.225 0.0478 0.3810 0.3912 + 784SOL HW1 2409 0.197 1.303 2.203 -0.1245 0.3219 -0.4372 + 784SOL HW2 2410 0.077 1.236 2.141 -0.6517 0.0719 0.7803 + 785SOL OW 2411 3.362 2.863 2.875 0.2347 -0.2471 0.0659 + 785SOL HW1 2412 3.325 2.777 2.891 0.6797 -0.4815 -0.1477 + 785SOL HW2 2413 3.429 2.849 2.808 -0.9129 0.5136 -1.3946 + 786SOL OW 2414 1.010 0.095 3.468 0.2835 -0.4476 0.0325 + 786SOL HW1 2415 0.962 0.021 3.505 -1.5456 -0.0584 -1.2988 + 786SOL HW2 2416 1.002 0.164 3.534 -0.6982 -0.5212 0.0149 + 787SOL OW 2417 2.164 0.060 2.668 -0.1390 0.1351 0.2172 + 787SOL HW1 2418 2.231 0.129 2.663 -0.0710 0.0653 0.1689 + 787SOL HW2 2419 2.192 -0.005 2.603 -0.4157 0.2469 -0.0159 + 788SOL OW 2420 1.437 2.847 2.146 -0.4130 -0.1796 0.1151 + 788SOL HW1 2421 1.384 2.768 2.141 0.1937 -0.5797 -0.4470 + 788SOL HW2 2422 1.518 2.819 2.189 -0.2328 0.1499 0.0016 + 789SOL OW 2423 3.108 2.422 2.906 -0.0063 -0.3642 -0.4663 + 789SOL HW1 2424 3.033 2.463 2.863 0.1798 -0.4321 -0.8680 + 789SOL HW2 2425 3.072 2.349 2.955 -0.2560 -0.1353 -0.3061 + 790SOL OW 2426 0.340 3.314 1.384 -0.8311 0.4146 0.4440 + 790SOL HW1 2427 0.401 3.255 1.428 -0.5606 -0.2935 -0.7696 + 790SOL HW2 2428 0.257 3.301 1.430 -0.3255 0.5999 1.4521 + 791SOL OW 2429 0.775 3.011 1.611 -0.4485 -0.2576 -0.1246 + 791SOL HW1 2430 0.730 2.935 1.648 -0.7399 0.0098 0.0890 + 791SOL HW2 2431 0.827 3.045 1.684 0.1834 -0.6208 -0.3988 + 792SOL OW 2432 1.597 2.731 0.145 0.4467 -0.6123 -0.7023 + 792SOL HW1 2433 1.547 2.766 0.072 0.3039 1.2234 0.1717 + 792SOL HW2 2434 1.659 2.801 0.169 0.3191 -0.9918 1.0564 + 793SOL OW 2435 1.983 3.453 0.615 -0.3443 0.2853 0.2018 + 793SOL HW1 2436 1.891 3.468 0.594 -0.7927 -0.8875 1.0660 + 793SOL HW2 2437 2.004 3.520 0.680 -0.8341 0.1310 0.5342 + 794SOL OW 2438 0.156 2.085 1.080 -0.1515 -0.2700 0.6830 + 794SOL HW1 2439 0.081 2.119 1.031 -0.0373 -0.8246 0.0970 + 794SOL HW2 2440 0.168 1.996 1.047 0.5530 -0.3125 1.0187 + 795SOL OW 2441 0.033 0.110 0.547 0.1992 0.0381 -0.7298 + 795SOL HW1 2442 0.118 0.070 0.562 0.4356 0.6146 -0.4838 + 795SOL HW2 2443 0.051 0.188 0.495 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-0.5286 0.1141 + 801SOL HW2 2461 2.370 0.523 1.283 -0.7100 -0.3304 0.0016 + 802SOL OW 2462 2.726 0.797 0.210 0.2547 -0.2779 -0.1837 + 802SOL HW1 2463 2.730 0.702 0.198 0.4887 -0.3485 0.3918 + 802SOL HW2 2464 2.730 0.809 0.304 0.1001 0.3037 -0.2451 + 803SOL OW 2465 2.629 0.109 0.966 -0.7579 0.4458 -0.3743 + 803SOL HW1 2466 2.607 0.074 0.880 -0.3278 -0.7169 -0.0519 + 803SOL HW2 2467 2.569 0.065 1.026 0.1275 -0.1534 0.1090 + 804SOL OW 2468 3.157 3.435 0.076 0.5308 0.3454 -0.2237 + 804SOL HW1 2469 3.062 3.452 0.074 0.5466 0.4403 -0.2002 + 804SOL HW2 2470 3.183 3.438 -0.016 0.4007 -0.3361 -0.2905 + 805SOL OW 2471 2.827 2.797 3.770 0.0203 -0.1971 -0.6408 + 805SOL HW1 2472 2.920 2.808 3.750 0.1665 -0.2044 -0.0188 + 805SOL HW2 2473 2.825 2.724 3.832 -0.2870 0.4096 0.0989 + 806SOL OW 2474 1.737 0.285 3.183 -0.3682 -0.3042 0.2770 + 806SOL HW1 2475 1.743 0.373 3.145 2.6555 -0.6807 -0.7441 + 806SOL HW2 2476 1.756 0.297 3.276 -0.2807 0.1421 0.2046 + 807SOL OW 2477 2.662 3.446 0.118 -0.1205 0.1745 0.1529 + 807SOL HW1 2478 2.716 3.409 0.048 0.4225 -0.4559 0.8565 + 807SOL HW2 2479 2.575 3.410 0.103 0.1443 -0.5004 0.1643 + 808SOL OW 2480 3.221 2.828 3.206 -0.4252 0.5699 -0.1491 + 808SOL HW1 2481 3.270 2.910 3.196 -0.7921 0.6891 -1.3210 + 808SOL HW2 2482 3.140 2.843 3.159 -0.9064 -0.1693 0.4035 + 809SOL OW 2483 1.521 3.643 2.799 0.4609 -0.0216 0.9087 + 809SOL HW1 2484 1.542 3.589 2.722 -0.4229 0.9042 -0.0442 + 809SOL HW2 2485 1.590 3.710 2.799 0.8812 -0.4377 1.3899 + 810SOL OW 2486 0.194 2.879 2.959 0.3150 -0.1556 -0.0909 + 810SOL HW1 2487 0.275 2.830 2.947 0.0350 -0.4840 -0.7602 + 810SOL HW2 2488 0.164 2.899 2.871 -0.2054 0.1728 0.1474 + 811SOL OW 2489 3.196 1.429 3.024 -0.0491 -0.5574 0.0932 + 811SOL HW1 2490 3.263 1.415 2.957 0.2131 2.0034 -0.3778 + 811SOL HW2 2491 3.117 1.451 2.975 -0.2945 -0.1785 0.6359 + 812SOL OW 2492 3.398 0.803 3.076 -0.2234 0.0139 -0.6273 + 812SOL HW1 2493 3.418 0.716 3.042 -0.2809 -0.7433 1.0494 + 812SOL HW2 2494 3.313 0.794 3.120 0.7650 0.1646 1.6022 + 813SOL OW 2495 2.967 2.777 3.432 0.1212 0.2929 0.1557 + 813SOL HW1 2496 3.029 2.779 3.505 0.2474 -0.6507 0.1045 + 813SOL HW2 2497 3.016 2.813 3.358 -0.1304 1.6166 0.5834 + 814SOL OW 2498 3.042 0.576 0.974 0.4744 0.4068 -0.5736 + 814SOL HW1 2499 3.062 0.529 1.056 0.9490 0.2941 -0.7481 + 814SOL HW2 2500 3.058 0.511 0.905 0.1120 0.5127 -0.7615 + 815SOL OW 2501 0.824 2.199 0.274 0.2458 -0.2960 0.0834 + 815SOL HW1 2502 0.909 2.217 0.233 0.5131 -0.9927 0.3174 + 815SOL HW2 2503 0.772 2.161 0.204 0.0581 0.2767 -0.1034 + 816SOL OW 2504 0.740 1.103 2.234 -0.4538 -0.5283 -0.5644 + 816SOL HW1 2505 0.824 1.111 2.188 -0.1067 -0.6979 0.0204 + 816SOL HW2 2506 0.693 1.184 2.211 0.7448 0.6745 0.7961 + 817SOL OW 2507 1.878 2.509 2.319 0.0945 0.0220 -0.3086 + 817SOL HW1 2508 1.906 2.566 2.391 -0.7922 -0.4970 0.4973 + 817SOL HW2 2509 1.819 2.564 2.267 0.2225 0.2093 -0.2594 + 818SOL OW 2510 2.227 2.766 0.819 0.0155 0.2578 0.4276 + 818SOL HW1 2511 2.284 2.843 0.815 0.4415 -0.0599 0.2815 + 818SOL HW2 2512 2.251 2.723 0.901 -0.3774 0.3911 0.6201 + 819SOL OW 2513 1.396 2.776 0.358 -0.9669 -0.0958 0.0407 + 819SOL HW1 2514 1.470 2.744 0.306 -2.0805 -0.5575 -1.4016 + 819SOL HW2 2515 1.381 2.709 0.424 -0.1455 -0.0070 0.3370 + 820SOL OW 2516 2.555 0.723 0.776 -0.7194 0.6077 -0.1596 + 820SOL HW1 2517 2.526 0.678 0.855 -1.4970 -0.0484 -0.7814 + 820SOL HW2 2518 2.638 0.681 0.753 -0.3325 1.0077 0.4451 + 821SOL OW 2519 2.110 1.565 2.275 0.7411 0.3508 -0.0797 + 821SOL HW1 2520 2.118 1.470 2.267 -0.7740 0.0472 1.1386 + 821SOL HW2 2521 2.071 1.592 2.192 -0.0995 -0.3220 0.0699 + 822SOL OW 2522 2.771 3.800 2.127 -0.1689 0.0238 -0.2077 + 822SOL HW1 2523 2.866 3.795 2.117 -0.2083 -0.0111 -0.6204 + 822SOL HW2 2524 2.741 3.709 2.118 -0.2557 0.0586 -0.2735 + 823SOL OW 2525 1.833 3.564 2.839 -0.1237 0.1137 0.9228 + 823SOL HW1 2526 1.897 3.597 2.776 -0.1794 0.9668 1.2825 + 823SOL HW2 2527 1.882 3.557 2.921 -0.3093 0.0532 1.0301 + 824SOL OW 2528 2.764 3.811 3.875 -0.7114 -0.0934 0.8991 + 824SOL HW1 2529 2.783 3.887 3.820 0.0964 -0.2736 0.9038 + 824SOL HW2 2530 2.736 3.743 3.813 -0.8091 0.0105 0.8282 + 825SOL OW 2531 1.115 0.902 0.578 -0.0253 0.0687 -0.2985 + 825SOL HW1 2532 1.205 0.933 0.588 0.0469 -0.4151 0.8739 + 825SOL HW2 2533 1.069 0.976 0.537 0.7669 0.5617 -0.3464 + 826SOL OW 2534 0.161 0.897 2.102 0.2632 0.1092 0.4854 + 826SOL HW1 2535 0.161 0.959 2.030 0.3216 0.3211 0.6639 + 826SOL HW2 2536 0.184 0.949 2.179 -1.0006 0.1694 0.8850 + 827SOL OW 2537 2.669 1.009 3.647 0.5865 -0.7061 -0.2290 + 827SOL HW1 2538 2.595 0.963 3.686 0.4998 -0.0859 0.3751 + 827SOL HW2 2539 2.652 1.008 3.553 -0.2575 -0.4631 -0.0933 + 828SOL OW 2540 0.202 1.396 1.283 0.2226 -0.0389 0.4684 + 828SOL HW1 2541 0.287 1.432 1.256 0.1272 -0.5343 -0.5736 + 828SOL HW2 2542 0.154 1.472 1.316 0.3720 0.6473 -0.7880 + 829SOL OW 2543 0.513 3.176 0.423 0.7124 -0.1280 0.4485 + 829SOL HW1 2544 0.594 3.148 0.465 0.2350 -0.7186 1.0243 + 829SOL HW2 2545 0.445 3.160 0.489 0.0987 0.1269 -0.1010 + 830SOL OW 2546 2.794 0.198 2.249 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0.0661 0.5927 + 836SOL OW 2564 1.766 3.040 2.316 -0.0941 0.0381 0.1851 + 836SOL HW1 2565 1.823 3.029 2.241 0.0662 -0.1974 0.3400 + 836SOL HW2 2566 1.712 3.117 2.295 0.1287 0.1286 -0.0533 + 837SOL OW 2567 1.005 3.524 1.455 0.1743 0.0770 -0.0312 + 837SOL HW1 2568 0.940 3.529 1.524 -0.0050 -0.2119 -0.1749 + 837SOL HW2 2569 0.959 3.551 1.375 0.4471 0.6551 0.0003 + 838SOL OW 2570 2.539 3.704 0.512 0.0646 0.3637 -0.4551 + 838SOL HW1 2571 2.596 3.631 0.491 -0.2976 0.0888 -0.4990 + 838SOL HW2 2572 2.599 3.774 0.540 0.3862 -0.1044 0.0604 + 839SOL OW 2573 0.411 2.189 0.579 0.3073 -0.6589 -0.2467 + 839SOL HW1 2574 0.358 2.255 0.623 0.2683 -0.5626 -0.4330 + 839SOL HW2 2575 0.449 2.137 0.650 -0.2364 -0.8933 -0.1208 + 840SOL OW 2576 2.441 2.442 1.808 0.3614 0.0378 0.4868 + 840SOL HW1 2577 2.521 2.442 1.861 0.8446 0.6782 -0.1987 + 840SOL HW2 2578 2.471 2.466 1.720 -0.5431 -0.0472 0.1387 + 841SOL OW 2579 2.219 0.224 2.371 0.7095 0.4826 -0.9628 + 841SOL HW1 2580 2.272 0.145 2.358 -0.4702 -0.6492 0.3691 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HW1 2598 3.392 3.768 0.750 0.9272 -0.5568 -0.7343 + 847SOL HW2 2599 3.436 3.856 0.635 -0.4134 0.8695 -0.2319 + 848SOL OW 2600 1.376 3.047 0.370 -0.2100 -0.2760 -0.0988 + 848SOL HW1 2601 1.328 3.058 0.452 0.5746 0.1501 0.3316 + 848SOL HW2 2602 1.387 2.952 0.362 -0.1164 -0.3165 0.4056 + 849SOL OW 2603 0.273 2.160 1.809 0.4856 -0.0865 -0.4087 + 849SOL HW1 2604 0.318 2.127 1.887 0.9089 -0.2638 -0.7145 + 849SOL HW2 2605 0.299 2.252 1.803 1.2121 -0.3050 -0.8437 + 850SOL OW 2606 2.775 0.849 1.906 0.4129 -0.1722 -0.0439 + 850SOL HW1 2607 2.814 0.775 1.952 1.0042 0.1115 -0.0687 + 850SOL HW2 2608 2.828 0.859 1.827 -0.1778 -0.2365 -0.4668 + 851SOL OW 2609 3.817 0.323 2.523 0.5955 0.2379 -0.0369 + 851SOL HW1 2610 3.897 0.343 2.570 0.5704 -0.0760 0.1483 + 851SOL HW2 2611 3.760 0.282 2.588 0.4293 0.1134 -0.2541 + 852SOL OW 2612 1.627 0.558 2.421 0.2619 0.2876 0.3579 + 852SOL HW1 2613 1.605 0.470 2.390 1.0944 0.1066 0.2140 + 852SOL HW2 2614 1.552 0.585 2.473 -0.5459 -0.0046 -0.5903 + 853SOL OW 2615 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2.398 2.781 0.3384 -0.5683 -0.5600 + 859SOL OW 2633 2.148 2.082 2.835 0.3981 0.1076 -0.0541 + 859SOL HW1 2634 2.066 2.033 2.827 0.4357 0.1134 -0.5023 + 859SOL HW2 2635 2.160 2.092 2.930 0.5463 -1.0244 0.0849 + 860SOL OW 2636 3.306 2.029 2.620 -0.2151 0.2223 -0.7168 + 860SOL HW1 2637 3.373 2.051 2.555 -0.0065 0.3420 -0.4658 + 860SOL HW2 2638 3.340 2.066 2.702 1.6928 -3.3104 0.5275 + 861SOL OW 2639 2.094 2.956 3.677 0.3295 -0.0022 -0.2474 + 861SOL HW1 2640 2.040 2.909 3.740 0.8613 -0.5829 -0.1991 + 861SOL HW2 2641 2.091 2.902 3.598 0.8525 -0.0748 -0.2298 + 862SOL OW 2642 2.753 2.639 3.157 -0.2933 0.2231 -0.1469 + 862SOL HW1 2643 2.816 2.710 3.164 0.9806 -0.9099 0.7551 + 862SOL HW2 2644 2.714 2.631 3.244 0.0492 -0.5520 -0.0437 + 863SOL OW 2645 2.639 1.512 1.252 -0.0804 -0.2161 -0.2974 + 863SOL HW1 2646 2.663 1.604 1.256 1.6044 -0.5418 -1.0124 + 863SOL HW2 2647 2.689 1.471 1.323 0.2001 -0.7187 -0.7675 + 864SOL OW 2648 1.530 1.263 0.812 0.0946 0.4282 -0.3224 + 864SOL HW1 2649 1.594 1.218 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0.6128 -0.2480 + 876SOL OW 2684 2.473 3.611 3.925 0.4715 -0.1383 0.3883 + 876SOL HW1 2685 2.410 3.645 3.989 0.5169 0.1760 0.2689 + 876SOL HW2 2686 2.559 3.636 3.960 0.5171 -0.2839 0.3852 + 877SOL OW 2687 2.137 0.546 1.778 -0.2761 -0.5663 -0.0903 + 877SOL HW1 2688 2.109 0.556 1.687 0.6780 -0.5596 -0.4040 + 877SOL HW2 2689 2.205 0.479 1.774 0.0282 -0.3056 0.5669 + 878SOL OW 2690 0.335 3.473 3.260 0.3716 -0.0122 -0.1599 + 878SOL HW1 2691 0.406 3.470 3.197 0.5747 0.6754 0.0216 + 878SOL HW2 2692 0.258 3.500 3.210 0.4339 0.1006 -0.1941 + 879SOL OW 2693 0.226 2.467 0.993 -0.3791 0.2549 0.3637 + 879SOL HW1 2694 0.175 2.388 1.011 -0.8969 0.3341 -0.5756 + 879SOL HW2 2695 0.164 2.525 0.948 0.2642 0.7802 0.1197 + 880SOL OW 2696 2.264 1.252 0.595 -0.1956 0.4350 0.0154 + 880SOL HW1 2697 2.209 1.304 0.536 -0.5720 0.1287 0.0831 + 880SOL HW2 2698 2.313 1.317 0.646 1.6118 0.7687 -1.8889 + 881SOL OW 2699 0.814 0.913 0.323 0.0485 0.1814 0.4614 + 881SOL HW1 2700 0.859 0.904 0.239 -0.6583 -0.6480 0.1410 + 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1.714 0.037 3.808 0.5709 -0.0206 0.0541 + 887SOL HW2 2719 1.599 0.129 3.771 0.5473 -0.1154 -0.1116 + 888SOL OW 2720 0.509 1.140 3.682 -0.0547 0.1900 -0.3776 + 888SOL HW1 2721 0.495 1.234 3.697 -0.4057 0.1260 -0.3117 + 888SOL HW2 2722 0.465 1.097 3.755 1.0818 0.0045 0.2556 + 889SOL OW 2723 3.296 3.165 2.844 0.1799 0.8830 -0.0459 + 889SOL HW1 2724 3.264 3.079 2.818 1.0443 0.5514 -0.0621 + 889SOL HW2 2725 3.238 3.192 2.916 -0.5608 0.6316 -0.5299 + 890SOL OW 2726 3.334 1.566 3.219 -0.0653 0.0605 0.1513 + 890SOL HW1 2727 3.280 1.509 3.164 0.1384 0.2406 -0.2462 + 890SOL HW2 2728 3.422 1.529 3.213 0.2167 0.8023 -0.6878 + 891SOL OW 2729 0.040 3.638 3.786 -0.1151 0.0473 -0.0319 + 891SOL HW1 2730 0.013 3.634 3.878 0.4542 -0.3851 0.1282 + 891SOL HW2 2731 0.060 3.547 3.763 1.1293 0.3168 -0.1477 + 892SOL OW 2732 2.514 1.231 1.821 -0.1484 0.6062 -0.2046 + 892SOL HW1 2733 2.504 1.297 1.752 -0.2702 0.7167 -0.0815 + 892SOL HW2 2734 2.540 1.152 1.774 0.3950 0.8411 -0.3122 + 893SOL OW 2735 3.355 3.689 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3686 2.265 3.429 3.575 -0.0691 -0.0356 0.5711 + 1210SOL HW1 3687 2.240 3.338 3.558 0.8979 -0.1441 -0.4417 + 1210SOL HW2 3688 2.351 3.424 3.616 0.1965 0.4140 0.1008 + 1211SOL OW 3689 1.536 1.668 2.655 0.0465 0.5341 -0.2802 + 1211SOL HW1 3690 1.488 1.650 2.574 -0.4786 1.0893 -0.1099 + 1211SOL HW2 3691 1.523 1.590 2.708 -0.7436 0.6920 -0.2126 + 1212SOL OW 3692 1.779 3.891 3.282 -0.3677 0.0762 -0.0955 + 1212SOL HW1 3693 1.696 3.922 3.247 -0.5460 -0.4056 -0.1220 + 1212SOL HW2 3694 1.791 3.939 3.364 -0.5081 0.3851 -0.2541 + 1213SOL OW 3695 2.771 0.586 2.948 -0.0822 -0.1866 0.2414 + 1213SOL HW1 3696 2.855 0.540 2.948 -0.5991 -1.2266 1.1399 + 1213SOL HW2 3697 2.794 0.678 2.955 0.9837 -0.4248 0.2099 + 1214SOL OW 3698 2.822 3.280 2.843 0.4087 0.1268 0.5593 + 1214SOL HW1 3699 2.734 3.253 2.815 0.6719 -0.5369 0.3384 + 1214SOL HW2 3700 2.870 3.294 2.762 0.2663 1.4577 0.6443 + 1215SOL OW 3701 2.703 0.528 1.952 -0.2219 -0.5717 -0.2271 + 1215SOL HW1 3702 2.691 0.496 2.041 -0.8475 -1.5061 -0.6180 + 1215SOL HW2 3703 2.791 0.498 1.928 0.8613 1.4392 0.7112 + 1216SOL OW 3704 3.420 3.120 2.379 0.4195 0.1000 -0.0234 + 1216SOL HW1 3705 3.341 3.127 2.326 0.0558 0.0678 0.4989 + 1216SOL HW2 3706 3.420 3.199 2.433 -0.3293 -0.7801 1.3825 + 1217SOL OW 3707 1.258 3.098 1.462 -0.6544 -0.5703 -0.3289 + 1217SOL HW1 3708 1.177 3.143 1.439 -0.6990 -0.3892 0.1526 + 1217SOL HW2 3709 1.229 3.020 1.510 -0.5545 0.1727 1.0511 + 1218SOL OW 3710 0.842 2.773 3.387 0.4083 0.6045 0.8420 + 1218SOL HW1 3711 0.926 2.805 3.420 0.5889 0.9593 0.0791 + 1218SOL HW2 3712 0.824 2.827 3.310 -0.2567 0.1705 0.6750 + 1219SOL OW 3713 1.474 0.337 3.579 0.4431 -0.3737 0.2396 + 1219SOL HW1 3714 1.509 0.403 3.638 -0.1039 0.0230 0.1321 + 1219SOL HW2 3715 1.492 0.254 3.623 0.2151 -0.1007 0.8739 + 1220SOL OW 3716 3.460 0.180 1.566 -0.6569 0.1166 0.2503 + 1220SOL HW1 3717 3.530 0.171 1.631 -0.1782 -0.0677 -0.2793 + 1220SOL HW2 3718 3.427 0.269 1.578 -0.5501 0.0970 0.7169 + 1221SOL OW 3719 2.780 3.805 0.632 0.0677 0.3941 0.1268 + 1221SOL HW1 3720 2.851 3.869 0.644 0.7159 -0.3604 0.4863 + 1221SOL HW2 3721 2.781 3.753 0.712 0.4377 -0.8971 -0.6619 + 1222SOL OW 3722 2.560 2.383 0.796 0.1212 -0.2750 -0.2175 + 1222SOL HW1 3723 2.619 2.430 0.856 -0.0500 -0.3314 -0.0024 + 1222SOL HW2 3724 2.529 2.450 0.736 -0.9445 0.1387 0.7161 + 1223SOL OW 3725 2.788 2.669 2.661 0.6011 0.6886 0.4062 + 1223SOL HW1 3726 2.823 2.583 2.682 -1.1399 -0.3296 -0.4214 + 1223SOL HW2 3727 2.820 2.687 2.572 0.2531 0.4332 0.2210 + 1224SOL OW 3728 3.169 2.926 2.344 0.1791 -0.6051 0.0654 + 1224SOL HW1 3729 3.097 2.936 2.408 0.3611 -0.3619 0.2380 + 1224SOL HW2 3730 3.247 2.917 2.398 0.4193 0.2095 -0.1067 + 1225SOL OW 3731 1.909 2.016 3.565 0.4509 -0.5930 -0.3567 + 1225SOL HW1 3732 1.874 1.926 3.567 0.5819 -0.8172 -2.6052 + 1225SOL HW2 3733 1.999 2.006 3.535 0.4005 0.2626 -0.8716 + 1226SOL OW 3734 1.052 2.518 0.419 0.5640 -0.2519 0.4989 + 1226SOL HW1 3735 1.080 2.538 0.509 1.4745 -0.5432 0.3016 + 1226SOL HW2 3736 0.972 2.466 0.430 0.4235 0.0795 1.1235 + 1227SOL OW 3737 2.536 2.562 3.920 -0.1572 0.1340 -0.0449 + 1227SOL HW1 3738 2.446 2.590 3.935 0.0102 0.3206 0.7279 + 1227SOL HW2 3739 2.543 2.551 3.825 -0.9938 0.0927 -0.1157 + 1228SOL OW 3740 0.964 0.874 2.989 0.6309 0.0262 0.2997 + 1228SOL HW1 3741 0.950 0.779 2.996 0.2152 0.0316 -0.2447 + 1228SOL HW2 3742 0.985 0.887 2.897 0.3619 0.4954 0.3003 + 1229SOL OW 3743 1.471 3.857 0.134 -0.3691 0.2707 -0.1910 + 1229SOL HW1 3744 1.556 3.862 0.177 0.0583 -0.5291 -0.8730 + 1229SOL HW2 3745 1.416 3.808 0.196 0.1107 -0.5000 -0.3535 + 1230SOL OW 3746 2.679 1.773 0.289 0.4922 0.4089 -0.3858 + 1230SOL HW1 3747 2.725 1.778 0.373 -0.6589 0.4380 0.2952 + 1230SOL HW2 3748 2.622 1.696 0.297 0.9642 -0.1032 -1.4993 + 1231SOL OW 3749 3.953 2.339 2.032 -0.1010 -0.0708 0.1131 + 1231SOL HW1 3750 3.897 2.263 2.045 0.4285 -0.4546 0.2119 + 1231SOL HW2 3751 3.965 2.343 1.937 -0.6633 0.2964 0.0464 + 1232SOL OW 3752 1.798 0.630 3.496 -0.2085 -0.5169 -0.0478 + 1232SOL HW1 3753 1.832 0.554 3.448 -0.7085 -0.4927 -0.4529 + 1232SOL HW2 3754 1.742 0.592 3.563 1.1872 -0.6071 1.1662 + 1233SOL OW 3755 3.827 3.456 0.500 0.1045 0.3874 0.1613 + 1233SOL HW1 3756 3.789 3.539 0.528 0.1292 0.2938 0.4758 + 1233SOL HW2 3757 3.824 3.459 0.404 -0.6545 0.4076 0.1701 + 1234SOL OW 3758 0.143 1.159 0.259 0.1927 0.1953 -0.6371 + 1234SOL HW1 3759 0.048 1.160 0.245 0.2585 -0.0378 -1.1562 + 1234SOL HW2 3760 0.161 1.240 0.308 -0.3671 -0.1464 0.1785 + 1235SOL OW 3761 0.132 3.777 0.325 -0.7367 0.1648 0.0566 + 1235SOL HW1 3762 0.108 3.715 0.394 -0.5371 -0.1165 -0.1176 + 1235SOL HW2 3763 0.226 3.793 0.339 -0.5787 -0.2662 -0.4237 + 1236SOL OW 3764 0.787 3.569 2.755 -0.2326 -0.0861 0.2363 + 1236SOL HW1 3765 0.723 3.564 2.685 0.1752 -0.5935 -0.1142 + 1236SOL HW2 3766 0.811 3.662 2.759 -0.7665 0.0633 0.1828 + 1237SOL OW 3767 1.700 2.300 0.174 -0.5321 0.5218 -0.0386 + 1237SOL HW1 3768 1.625 2.290 0.233 0.5131 0.6304 1.3860 + 1237SOL HW2 3769 1.678 2.376 0.121 -1.7261 0.1284 -0.1704 + 1238SOL OW 3770 1.479 1.941 3.334 -0.1809 -0.5537 0.2921 + 1238SOL HW1 3771 1.509 1.879 3.401 -0.4745 -0.9328 0.0843 + 1238SOL HW2 3772 1.393 1.968 3.365 0.1321 0.1183 0.6158 + 1239SOL OW 3773 3.625 0.293 1.176 -0.2120 -0.2182 0.0422 + 1239SOL HW1 3774 3.653 0.229 1.241 0.7204 0.2382 0.1224 + 1239SOL HW2 3775 3.596 0.368 1.227 -0.1507 -0.1277 -0.0527 + 1240SOL OW 3776 0.886 3.611 0.283 -0.5744 0.0103 -0.3868 + 1240SOL HW1 3777 0.917 3.698 0.309 0.5067 -0.7157 1.0355 + 1240SOL HW2 3778 0.811 3.594 0.341 0.1194 -0.5195 0.4122 + 1241SOL OW 3779 3.245 2.088 2.904 0.3501 0.7814 -0.3362 + 1241SOL HW1 3780 3.277 2.178 2.914 1.3472 0.3600 0.7687 + 1241SOL HW2 3781 3.211 2.065 2.990 0.1186 0.1021 -0.5987 + 1242SOL OW 3782 2.950 0.081 2.662 -0.2205 0.4783 0.3014 + 1242SOL HW1 3783 3.040 0.048 2.662 0.0702 1.1649 -0.7599 + 1242SOL HW2 3784 2.901 0.017 2.609 -0.1378 0.6060 0.0684 + 1243SOL OW 3785 0.334 1.222 0.067 -0.1552 -0.0789 -0.1155 + 1243SOL HW1 3786 0.262 1.190 0.122 -0.9587 -0.8755 -1.5330 + 1243SOL HW2 3787 0.297 1.297 0.020 -0.0169 -0.3777 -0.7183 + 1244SOL OW 3788 0.452 1.270 3.048 0.7749 -0.5000 -0.2785 + 1244SOL HW1 3789 0.475 1.341 3.108 -0.3377 0.2568 -0.6787 + 1244SOL HW2 3790 0.403 1.208 3.102 0.2099 -0.0686 -0.2830 + 1245SOL OW 3791 0.872 2.918 1.923 -0.4274 -0.0935 0.0233 + 1245SOL HW1 3792 0.876 3.007 1.887 -0.8173 -0.2131 -0.3343 + 1245SOL HW2 3793 0.964 2.890 1.926 -0.3652 -0.0188 -0.7458 + 1246SOL OW 3794 3.003 0.412 2.120 0.2356 0.0336 0.2178 + 1246SOL HW1 3795 2.954 0.385 2.041 -0.7164 0.9681 0.4435 + 1246SOL HW2 3796 3.092 0.427 2.089 -0.1708 0.6293 -0.7512 + 1247SOL OW 3797 2.658 1.363 3.547 -0.0617 0.4639 -0.4880 + 1247SOL HW1 3798 2.663 1.387 3.455 0.9724 0.6223 -0.4168 + 1247SOL HW2 3799 2.578 1.311 3.554 0.0342 0.1167 -1.5502 + 1248SOL OW 3800 3.867 0.112 3.469 0.4516 -0.2877 0.2626 + 1248SOL HW1 3801 3.950 0.109 3.421 -0.0494 0.2022 -0.7015 + 1248SOL HW2 3802 3.847 0.205 3.476 0.0554 -0.3947 0.6079 + 1249SOL OW 3803 0.653 0.108 0.662 -0.4165 -0.0717 0.0164 + 1249SOL HW1 3804 0.739 0.133 0.696 -0.1991 -0.2373 -0.3832 + 1249SOL HW2 3805 0.614 0.056 0.731 0.0889 -0.5560 -0.0443 + 1250SOL OW 3806 0.610 3.547 2.530 0.3547 -0.1571 -0.1952 + 1250SOL HW1 3807 0.661 3.616 2.486 -0.6321 0.5997 -0.2249 + 1250SOL HW2 3808 0.553 3.512 2.462 0.2320 -0.3881 0.0254 + 1251SOL OW 3809 2.475 0.805 3.088 0.6712 0.5742 0.6588 + 1251SOL HW1 3810 2.488 0.900 3.095 -0.8606 0.9657 -0.6224 + 1251SOL HW2 3811 2.496 0.785 2.997 0.6200 -0.2633 0.8207 + 1252SOL OW 3812 3.162 0.671 2.450 0.2410 0.4296 -0.1781 + 1252SOL HW1 3813 3.196 0.677 2.361 0.6826 0.7077 0.0028 + 1252SOL HW2 3814 3.092 0.605 2.445 0.3310 0.3677 -0.7031 + 1253SOL OW 3815 1.105 3.922 2.941 0.1120 0.2744 -0.2997 + 1253SOL HW1 3816 1.172 3.855 2.927 -0.5335 -0.4869 0.1601 + 1253SOL HW2 3817 1.032 3.876 2.980 -0.4655 1.2054 -0.2251 + 1254SOL OW 3818 1.960 0.779 2.128 -0.0434 0.2515 0.2465 + 1254SOL HW1 3819 2.011 0.713 2.081 1.0044 0.3238 1.1966 + 1254SOL HW2 3820 1.935 0.736 2.210 -1.0914 0.4068 0.0394 + 1255SOL OW 3821 0.172 2.598 2.466 -0.0649 -0.0819 -0.8577 + 1255SOL HW1 3822 0.094 2.634 2.507 0.4345 -0.4763 0.5666 + 1255SOL HW2 3823 0.151 2.505 2.452 0.2183 -0.2453 -0.2392 + 1256SOL OW 3824 2.465 0.097 0.252 0.1451 -0.0836 -0.3791 + 1256SOL HW1 3825 2.465 0.022 0.312 0.1171 0.1978 -0.0166 + 1256SOL HW2 3826 2.372 0.115 0.237 0.1485 -0.0091 -0.3157 + 1257SOL OW 3827 3.276 1.481 1.483 0.0044 0.6744 -0.5280 + 1257SOL HW1 3828 3.249 1.442 1.566 -0.2482 -0.6567 -1.1852 + 1257SOL HW2 3829 3.194 1.511 1.443 -0.0444 0.1231 -0.8528 + 1258SOL OW 3830 2.296 2.273 0.557 -0.3236 0.0601 0.0922 + 1258SOL HW1 3831 2.291 2.308 0.468 -1.2431 0.3505 0.2390 + 1258SOL HW2 3832 2.333 2.345 0.608 0.9125 -0.3555 -0.1494 + 1259SOL OW 3833 3.287 0.789 1.415 0.2601 -0.0890 -0.8357 + 1259SOL HW1 3834 3.241 0.871 1.432 0.1249 0.0884 -1.9049 + 1259SOL HW2 3835 3.233 0.722 1.457 0.6103 0.3739 0.4558 + 1260SOL OW 3836 3.691 1.246 3.803 -0.0502 -0.0084 0.4118 + 1260SOL HW1 3837 3.760 1.192 3.765 -0.6092 -0.3930 -0.1112 + 1260SOL HW2 3838 3.736 1.320 3.842 0.6124 0.0943 -0.4951 + 1261SOL OW 3839 3.460 2.505 3.534 -0.0610 -0.8969 -0.4328 + 1261SOL HW1 3840 3.393 2.570 3.512 0.7471 -0.0451 -0.5036 + 1261SOL HW2 3841 3.486 2.468 3.450 0.5428 -0.1842 -0.5821 + 1262SOL OW 3842 0.933 1.659 2.017 0.0327 -0.4350 0.2800 + 1262SOL HW1 3843 0.939 1.577 2.066 0.6598 -0.3832 0.3099 + 1262SOL HW2 3844 0.859 1.646 1.957 -0.4564 -0.6742 0.9046 + 1263SOL OW 3845 3.292 2.034 0.577 0.1103 0.0451 -0.0339 + 1263SOL HW1 3846 3.207 2.072 0.600 -0.4961 -0.5256 -1.1423 + 1263SOL HW2 3847 3.319 2.082 0.499 0.4794 -0.2403 -0.0871 + 1264SOL OW 3848 0.394 0.783 0.073 -0.5171 0.1996 0.1865 + 1264SOL HW1 3849 0.458 0.714 0.056 -0.2812 0.4905 -0.1053 + 1264SOL HW2 3850 0.430 0.833 0.146 -0.6139 0.1115 0.2959 + 1265SOL OW 3851 3.534 1.408 2.394 0.2944 0.2918 -0.2617 + 1265SOL HW1 3852 3.498 1.496 2.406 -0.8743 -0.2371 0.4468 + 1265SOL HW2 3853 3.599 1.399 2.463 0.4517 0.6037 -0.3643 + 1266SOL OW 3854 3.051 3.732 2.388 -0.5082 -0.3833 0.4447 + 1266SOL HW1 3855 3.002 3.788 2.327 -0.0801 -0.0193 0.4277 + 1266SOL HW2 3856 3.018 3.644 2.370 -0.5589 -0.2545 -0.1528 + 1267SOL OW 3857 2.783 2.086 2.904 0.1814 0.0248 -0.2762 + 1267SOL HW1 3858 2.786 2.153 2.972 -1.1042 -0.2318 0.0847 + 1267SOL HW2 3859 2.740 2.129 2.830 -0.0362 -0.2018 -0.2831 + 1268SOL OW 3860 2.941 2.645 1.234 0.1053 0.4667 -0.1498 + 1268SOL HW1 3861 3.007 2.646 1.303 -0.0663 1.2125 0.0263 + 1268SOL HW2 3862 2.906 2.556 1.234 -0.0635 0.5104 0.8979 + 1269SOL OW 3863 1.552 2.867 3.271 0.1724 0.7530 0.2325 + 1269SOL HW1 3864 1.541 2.950 3.318 -2.0284 0.6774 0.0751 + 1269SOL HW2 3865 1.545 2.892 3.179 -0.1170 0.4318 0.1674 + 1270SOL OW 3866 2.680 1.480 0.077 0.5921 0.3919 -0.5731 + 1270SOL HW1 3867 2.751 1.542 0.062 0.9249 -0.2796 -2.1184 + 1270SOL HW2 3868 2.613 1.504 0.014 -0.1910 0.4193 0.2248 + 1271SOL OW 3869 0.501 1.130 3.395 0.1769 -0.2245 0.2469 + 1271SOL HW1 3870 0.502 1.152 3.488 0.5107 0.5980 0.0693 + 1271SOL HW2 3871 0.474 1.211 3.351 -1.0942 -0.8952 -0.3167 + 1272SOL OW 3872 -0.008 3.426 3.517 -0.4102 0.0011 -0.7270 + 1272SOL HW1 3873 0.076 3.473 3.514 -0.0171 -0.6720 -0.9031 + 1272SOL HW2 3874 0.009 3.345 3.467 -1.0300 -0.3580 -0.3787 + 1273SOL OW 3875 0.888 0.982 3.851 -0.5010 -0.4593 0.1128 + 1273SOL HW1 3876 0.834 0.913 3.813 1.0255 -1.6162 -0.1704 + 1273SOL HW2 3877 0.955 0.999 3.785 -0.2241 0.5602 0.6147 + 1274SOL OW 3878 3.462 2.335 3.108 0.0319 -0.2357 -0.1466 + 1274SOL HW1 3879 3.438 2.321 3.017 -1.0507 -0.1093 0.0864 + 1274SOL HW2 3880 3.521 2.410 3.106 0.0608 -0.2667 -0.7445 + 1275SOL OW 3881 2.359 3.831 0.357 -0.0399 -0.0068 0.9987 + 1275SOL HW1 3882 2.276 3.826 0.405 -0.3568 -1.9349 0.4208 + 1275SOL HW2 3883 2.419 3.775 0.406 0.6642 0.6137 0.8859 + 1276SOL OW 3884 3.744 1.696 2.252 0.1320 1.0093 -0.3541 + 1276SOL HW1 3885 3.751 1.601 2.261 -0.6503 0.8984 -0.7229 + 1276SOL HW2 3886 3.822 1.730 2.295 -0.1912 0.2657 0.9229 + 1277SOL OW 3887 3.358 0.833 1.167 -0.0877 -0.0238 -0.4260 + 1277SOL HW1 3888 3.274 0.870 1.140 -0.0719 1.6248 1.3532 + 1277SOL HW2 3889 3.345 0.808 1.259 1.3744 0.4864 -0.0246 + 1278SOL OW 3890 0.364 2.261 3.603 0.0578 0.3728 0.3017 + 1278SOL HW1 3891 0.307 2.202 3.554 -0.1572 1.3003 -0.6015 + 1278SOL HW2 3892 0.453 2.229 3.585 -0.0795 -0.2442 0.6263 + 1279SOL OW 3893 0.879 0.259 3.671 -0.3798 -0.1244 -0.4249 + 1279SOL HW1 3894 0.798 0.210 3.689 -0.6467 0.5800 0.5062 + 1279SOL HW2 3895 0.947 0.209 3.715 -0.6096 0.1664 0.2998 + 1280SOL OW 3896 2.198 3.976 3.565 0.0009 0.2987 -0.2382 + 1280SOL HW1 3897 2.262 3.953 3.497 -0.3691 -0.6741 -0.2972 + 1280SOL HW2 3898 2.120 3.924 3.543 -0.6179 1.0329 0.1445 + 1281SOL OW 3899 2.077 0.472 3.705 0.3285 -0.4626 0.0181 + 1281SOL HW1 3900 2.020 0.398 3.683 -0.0504 -0.1115 -0.2156 + 1281SOL HW2 3901 2.123 0.492 3.623 -0.1379 0.0354 -0.1368 + 1282SOL OW 3902 0.490 1.183 1.976 -0.4746 -0.1656 -0.3005 + 1282SOL HW1 3903 0.437 1.256 1.945 -0.1563 -0.3897 -1.4551 + 1282SOL HW2 3904 0.481 1.116 1.909 1.2742 -0.2062 -0.5851 + 1283SOL OW 3905 3.066 3.030 3.786 0.1980 0.6329 -0.6677 + 1283SOL HW1 3906 2.986 3.074 3.759 -0.0893 0.4075 -0.2062 + 1283SOL HW2 3907 3.133 3.099 3.786 -0.0425 0.8691 -0.8451 + 1284SOL OW 3908 3.929 3.052 1.912 0.5136 0.1350 -0.1433 + 1284SOL HW1 3909 3.974 3.008 1.984 0.2009 0.6954 0.4043 + 1284SOL HW2 3910 3.920 3.143 1.940 -0.4144 0.1705 -0.4959 + 1285SOL OW 3911 1.530 3.623 3.248 -0.2399 0.6135 -0.0367 + 1285SOL HW1 3912 1.575 3.664 3.322 -0.0465 0.4891 -0.0845 + 1285SOL HW2 3913 1.563 3.670 3.171 0.4153 0.0069 -0.1470 + 1286SOL OW 3914 3.784 0.383 1.846 -0.2739 0.7896 -0.3610 + 1286SOL HW1 3915 3.811 0.398 1.755 -0.3523 -0.7145 -0.6917 + 1286SOL HW2 3916 3.860 0.341 1.887 -0.7488 0.0581 -0.1945 + 1287SOL OW 3917 3.248 1.724 1.814 0.1305 0.6595 -0.1245 + 1287SOL HW1 3918 3.312 1.680 1.870 -0.2288 0.0335 -0.1854 + 1287SOL HW2 3919 3.272 1.817 1.818 0.6076 0.5239 0.4093 + 1288SOL OW 3920 2.915 0.361 1.879 -0.4855 0.2747 -0.0441 + 1288SOL HW1 3921 2.855 0.291 1.853 -0.5801 0.4215 -0.2296 + 1288SOL HW2 3922 2.984 0.360 1.812 -0.4583 0.3234 -0.0170 + 1289SOL OW 3923 1.026 3.696 3.978 -0.0577 0.7095 -0.6606 + 1289SOL HW1 3924 0.945 3.656 3.948 -0.4396 1.4495 -0.6802 + 1289SOL HW2 3925 1.096 3.641 3.941 -0.5356 -0.3522 -0.0627 + 1290SOL OW 3926 3.351 3.338 0.997 0.0870 0.7153 0.6861 + 1290SOL HW1 3927 3.284 3.319 1.063 0.7885 -0.4209 1.1321 + 1290SOL HW2 3928 3.429 3.361 1.047 0.3853 0.7241 0.2252 + 1291SOL OW 3929 1.402 1.161 1.015 0.1730 0.2189 -0.0717 + 1291SOL HW1 3930 1.318 1.137 0.975 0.7975 -0.6529 -0.9570 + 1291SOL HW2 3931 1.459 1.178 0.941 1.0837 -0.3510 0.4651 + 1292SOL OW 3932 1.469 0.238 2.689 -0.2796 1.0257 -0.4702 + 1292SOL HW1 3933 1.443 0.230 2.781 -0.3498 1.7994 -0.4134 + 1292SOL HW2 3934 1.406 0.183 2.641 -0.3946 0.8147 -0.0891 + 1293SOL OW 3935 3.349 3.731 0.310 0.1817 0.8007 0.7670 + 1293SOL HW1 3936 3.265 3.776 0.313 -0.0883 0.3242 0.6451 + 1293SOL HW2 3937 3.353 3.681 0.391 -0.8785 -1.2322 -0.2588 + 1294SOL OW 3938 3.685 2.852 3.440 0.0649 0.1092 -0.5694 + 1294SOL 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1.401 2.818 0.696 0.8508 0.5932 1.6925 + 1396SOL OW 4244 2.366 3.284 2.908 -0.0979 -0.2918 0.8394 + 1396SOL HW1 4245 2.290 3.241 2.870 -0.0035 -0.2184 0.5593 + 1396SOL HW2 4246 2.340 3.376 2.917 -0.1058 -0.3013 0.9161 + 1397SOL OW 4247 1.135 3.346 2.906 -0.8516 -0.2215 -0.4316 + 1397SOL HW1 4248 1.126 3.278 2.840 0.1715 -0.3155 -0.5068 + 1397SOL HW2 4249 1.136 3.428 2.857 0.3090 -0.3144 -0.6002 + 1398SOL OW 4250 3.905 0.642 1.759 -0.6041 0.4894 0.1137 + 1398SOL HW1 4251 3.824 0.693 1.759 -0.9353 0.0032 -0.8555 + 1398SOL HW2 4252 3.891 0.574 1.693 0.6146 0.4160 -0.1110 + 1399SOL OW 4253 2.288 3.359 2.395 -0.4918 -0.0436 0.3716 + 1399SOL HW1 4254 2.201 3.349 2.435 -0.8410 0.1623 -0.3020 + 1399SOL HW2 4255 2.293 3.288 2.331 -0.3865 0.2663 0.0293 + 1400SOL OW 4256 2.142 1.582 1.474 -0.0947 0.0048 -0.3137 + 1400SOL HW1 4257 2.129 1.582 1.569 -0.6010 0.1479 -0.3787 + 1400SOL HW2 4258 2.232 1.613 1.463 -0.2434 0.6330 0.1027 + 1401SOL OW 4259 3.860 0.823 -0.032 0.4773 -0.2790 -0.1290 + 1401SOL HW1 4260 3.821 0.894 0.019 0.1633 -0.1749 -0.5076 + 1401SOL HW2 4261 3.938 0.798 0.017 -0.0791 -0.5216 0.6752 + 1402SOL OW 4262 1.952 2.644 1.778 -0.3549 0.1225 0.3113 + 1402SOL HW1 4263 1.970 2.698 1.855 -0.1954 -0.2772 0.5624 + 1402SOL HW2 4264 2.032 2.592 1.767 -0.6346 -0.3082 0.2858 + 1403SOL OW 4265 2.209 2.927 1.274 -0.7828 0.2808 0.4155 + 1403SOL HW1 4266 2.180 2.838 1.293 -1.1641 0.5644 1.2273 + 1403SOL HW2 4267 2.191 2.938 1.180 0.2837 -0.8538 0.0169 + 1404SOL OW 4268 0.253 3.482 3.510 -0.4891 -0.0616 0.0072 + 1404SOL HW1 4269 0.274 3.503 3.419 -0.3898 0.5958 0.1668 + 1404SOL HW2 4270 0.320 3.419 3.537 -0.6060 -0.3676 -0.4151 + 1405SOL OW 4271 1.018 3.239 1.388 0.3455 0.1160 0.5082 + 1405SOL HW1 4272 0.995 3.319 1.435 0.4081 0.3290 0.1887 + 1405SOL HW2 4273 1.003 3.261 1.296 -0.4317 -0.5084 0.4672 + 1406SOL OW 4274 2.914 0.597 0.468 -0.1003 0.3109 0.4680 + 1406SOL HW1 4275 2.859 0.518 0.470 -0.2404 0.3928 -0.0393 + 1406SOL HW2 4276 2.961 0.591 0.385 0.4639 0.3818 0.7710 + 1407SOL OW 4277 2.701 1.295 3.134 0.2981 -0.3169 -0.4489 + 1407SOL HW1 4278 2.695 1.380 3.178 0.6068 -0.6827 0.3388 + 1407SOL HW2 4279 2.696 1.316 3.041 0.1568 0.5430 -0.2671 + 1408SOL OW 4280 1.794 1.923 0.223 0.1714 0.5418 -0.1313 + 1408SOL HW1 4281 1.788 1.992 0.158 0.0282 0.5438 -0.1162 + 1408SOL HW2 4282 1.822 1.967 0.303 -1.8506 0.9612 0.4499 + 1409SOL OW 4283 1.231 1.575 2.566 -0.1937 -0.2585 0.1903 + 1409SOL HW1 4284 1.262 1.531 2.486 -0.6537 -0.6251 0.2040 + 1409SOL HW2 4285 1.160 1.631 2.536 -0.5399 -0.5918 0.3742 + 1410SOL OW 4286 0.057 3.449 3.221 0.0108 -0.2750 0.9861 + 1410SOL HW1 4287 0.061 3.529 3.274 -0.5633 0.1479 0.4292 + 1410SOL HW2 4288 -0.024 3.458 3.170 0.8164 -0.3312 -0.4300 + 1411SOL OW 4289 3.019 0.830 0.891 0.0388 -0.0890 -0.2733 + 1411SOL HW1 4290 2.930 0.856 0.869 -0.0998 -1.1189 -1.1152 + 1411SOL HW2 4291 3.012 0.738 0.914 0.9306 -0.3134 -0.7989 + 1412SOL OW 4292 0.044 3.396 1.759 -0.0948 0.1490 0.1805 + 1412SOL HW1 4293 -0.029 3.347 1.797 -0.5480 0.7062 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3.741 2.672 -0.2295 0.2748 -0.4127 + 1435SOL HW1 4362 3.090 3.716 2.585 0.0946 0.8537 -0.4691 + 1435SOL HW2 4363 2.969 3.773 2.655 -0.9702 -1.4652 -0.2349 + 1436SOL OW 4364 3.081 1.267 2.477 0.2762 -0.2180 -0.1746 + 1436SOL HW1 4365 3.171 1.235 2.486 0.0911 -1.0348 -0.9114 + 1436SOL HW2 4366 3.028 1.205 2.527 0.0846 0.0325 -0.0647 + 1437SOL OW 4367 0.551 1.761 2.564 0.0057 -0.3682 -0.0041 + 1437SOL HW1 4368 0.594 1.716 2.491 -0.1494 -0.5615 0.0236 + 1437SOL HW2 4369 0.482 1.812 2.523 0.7361 0.5700 -0.1462 + 1438SOL OW 4370 0.929 3.641 3.325 0.2675 -0.0387 -0.1932 + 1438SOL HW1 4371 1.002 3.595 3.365 -0.4634 -0.0416 1.2606 + 1438SOL HW2 4372 0.955 3.733 3.325 0.1382 0.0175 0.7336 + 1439SOL OW 4373 3.585 3.524 1.938 -0.4709 -0.4462 0.3008 + 1439SOL HW1 4374 3.596 3.438 1.978 -1.4547 -0.8380 -0.1919 + 1439SOL HW2 4375 3.674 3.555 1.922 -0.0739 -0.8559 1.5152 + 1440SOL OW 4376 2.501 0.351 1.488 0.3543 0.0848 -0.1980 + 1440SOL HW1 4377 2.493 0.437 1.447 0.0098 0.2513 0.1941 + 1440SOL HW2 4378 2.565 0.364 1.558 -1.1399 0.6018 1.2063 + 1441SOL OW 4379 0.876 0.846 0.721 -0.5100 0.5378 -0.1025 + 1441SOL HW1 4380 0.876 0.912 0.790 -0.2159 -0.0980 0.5358 + 1441SOL HW2 4381 0.968 0.829 0.703 -0.5284 -0.5692 0.6496 + 1442SOL OW 4382 2.891 2.645 0.601 0.2083 0.0320 0.3323 + 1442SOL HW1 4383 2.813 2.682 0.558 0.0098 -0.6612 0.0737 + 1442SOL HW2 4384 2.964 2.681 0.550 0.0361 0.2775 0.2507 + 1443SOL OW 4385 2.301 0.796 1.764 -0.8890 0.3297 -0.2859 + 1443SOL HW1 4386 2.374 0.802 1.703 -0.1298 -0.2725 0.5142 + 1443SOL HW2 4387 2.280 0.703 1.766 -0.9043 0.3407 0.3588 + 1444SOL OW 4388 0.205 1.559 2.768 -0.0224 -0.1918 -0.2235 + 1444SOL HW1 4389 0.219 1.654 2.760 0.2423 -0.1459 0.5860 + 1444SOL HW2 4390 0.214 1.541 2.861 -0.2733 -0.9920 -0.3361 + 1445SOL OW 4391 3.834 2.433 3.712 -0.0270 0.1792 0.7266 + 1445SOL HW1 4392 3.754 2.399 3.752 -0.6260 -0.3244 -0.7522 + 1445SOL HW2 4393 3.806 2.509 3.662 0.5307 0.3365 0.6389 + 1446SOL OW 4394 0.141 1.480 0.152 -0.1649 -0.1364 0.1751 + 1446SOL HW1 4395 0.070 1.535 0.185 0.5451 0.7227 0.3154 + 1446SOL HW2 4396 0.181 1.443 0.231 0.0855 0.0690 0.1434 + 1447SOL OW 4397 1.442 0.377 1.788 0.7396 -0.6169 0.2509 + 1447SOL HW1 4398 1.399 0.333 1.861 0.3134 -0.7133 -0.0498 + 1447SOL HW2 4399 1.474 0.306 1.732 0.3891 -0.5514 -0.0404 + 1448SOL OW 4400 0.453 1.806 1.328 0.9317 -0.1563 0.1451 + 1448SOL HW1 4401 0.475 1.891 1.365 -0.9503 0.8009 -0.6400 + 1448SOL HW2 4402 0.403 1.761 1.396 0.7117 -0.0140 0.0790 + 1449SOL OW 4403 1.484 1.707 3.210 -0.2832 0.1000 -0.5154 + 1449SOL HW1 4404 1.401 1.687 3.253 0.2933 0.7109 1.0338 + 1449SOL HW2 4405 1.499 1.800 3.228 -0.1171 0.5251 -2.4069 + 1450SOL OW 4406 1.595 2.574 3.714 0.3922 -0.5743 0.3052 + 1450SOL HW1 4407 1.603 2.529 3.798 -0.9956 -1.5191 -0.0057 + 1450SOL HW2 4408 1.546 2.514 3.659 0.6196 0.3263 -0.9723 + 1451SOL OW 4409 0.811 3.836 2.302 0.5526 0.2669 0.3168 + 1451SOL HW1 4410 0.751 3.910 2.293 -0.1619 -0.3414 -0.0757 + 1451SOL HW2 4411 0.827 3.806 2.213 -0.9397 -1.3991 0.5128 + 1452SOL OW 4412 0.207 0.381 0.011 -0.4333 0.4485 0.3155 + 1452SOL HW1 4413 0.132 0.416 -0.037 -1.2920 -0.4853 0.9041 + 1452SOL HW2 4414 0.170 0.312 0.066 0.7063 0.6414 1.3947 + 1453SOL OW 4415 3.183 0.107 1.913 0.3028 0.2509 -0.1519 + 1453SOL HW1 4416 3.214 0.026 1.873 -0.0497 0.2229 -0.3824 + 1453SOL HW2 4417 3.188 0.172 1.843 -0.8219 0.0843 -0.4377 + 1454SOL OW 4418 3.401 1.027 0.738 0.2543 0.3029 -0.3820 + 1454SOL HW1 4419 3.387 1.107 0.789 0.0653 0.0598 -0.0443 + 1454SOL HW2 4420 3.314 0.986 0.733 0.3650 0.0735 -0.4731 + 1455SOL OW 4421 0.191 0.403 0.676 0.0089 -0.2778 -0.4408 + 1455SOL HW1 4422 0.105 0.368 0.699 0.1701 -0.6664 -0.4162 + 1455SOL HW2 4423 0.254 0.341 0.715 0.2963 -0.3687 -1.0141 + 1456SOL OW 4424 3.233 2.770 2.582 0.2394 0.2216 0.0787 + 1456SOL HW1 4425 3.184 2.700 2.539 0.1140 0.4078 -0.0837 + 1456SOL HW2 4426 3.170 2.812 2.640 0.1435 0.6024 -0.2951 + 1457SOL OW 4427 1.244 3.969 0.956 -0.0004 -0.3413 -0.5255 + 1457SOL HW1 4428 1.252 3.965 1.052 0.3561 -0.2456 -0.5469 + 1457SOL HW2 4429 1.269 3.881 0.927 1.4821 0.0603 -0.6151 + 1458SOL OW 4430 1.190 0.805 3.906 0.2136 0.4578 0.4096 + 1458SOL HW1 4431 1.271 0.789 3.857 0.4814 1.0871 0.6166 + 1458SOL HW2 4432 1.137 0.727 3.892 0.5544 0.3474 -0.3334 + 1459SOL OW 4433 2.286 3.161 2.191 -0.4177 0.1797 -0.3001 + 1459SOL HW1 4434 2.376 3.141 2.165 -0.0144 0.5038 0.7653 + 1459SOL HW2 4435 2.242 3.076 2.193 0.0217 -0.0496 -0.2493 + 1460SOL OW 4436 1.384 0.898 0.225 0.0326 -0.1200 0.4768 + 1460SOL HW1 4437 1.319 0.966 0.210 0.1183 -0.1140 0.1297 + 1460SOL HW2 4438 1.402 0.862 0.139 -0.4464 -0.9895 0.7178 + 1461SOL OW 4439 1.907 3.370 3.285 0.2061 -0.0588 0.5780 + 1461SOL HW1 4440 1.897 3.347 3.377 -0.2334 -0.7789 0.3627 + 1461SOL HW2 4441 1.835 3.326 3.241 -0.1342 1.0072 -0.0071 + 1462SOL OW 4442 3.865 3.306 1.975 -0.1414 -0.0963 -0.4068 + 1462SOL HW1 4443 3.777 3.306 2.013 -0.1888 -0.5820 -0.5105 + 1462SOL HW2 4444 3.918 3.357 2.037 -0.3292 -0.4512 0.0527 + 1463SOL OW 4445 2.898 3.160 1.262 0.2242 0.0395 -0.4313 + 1463SOL HW1 4446 2.890 3.072 1.225 1.5896 0.0045 -0.7703 + 1463SOL HW2 4447 2.967 3.152 1.328 -0.4483 0.6371 0.3981 + 1464SOL OW 4448 3.803 0.283 2.251 0.3873 0.0738 0.7178 + 1464SOL HW1 4449 3.721 0.327 2.230 -0.8398 -1.9028 0.9336 + 1464SOL HW2 4450 3.819 0.303 2.343 -1.1773 -1.2696 1.3677 + 1465SOL OW 4451 2.942 2.737 1.785 -0.4359 0.0740 0.3612 + 1465SOL HW1 4452 3.035 2.747 1.763 -0.3982 0.8268 0.7906 + 1465SOL HW2 4453 2.908 2.678 1.718 0.0952 0.7349 -0.5470 + 1466SOL OW 4454 2.708 1.580 2.653 0.4399 0.2384 0.0878 + 1466SOL HW1 4455 2.689 1.600 2.561 1.0928 -0.6844 -0.2739 + 1466SOL HW2 4456 2.801 1.560 2.654 0.3673 -0.1034 0.8895 + 1467SOL OW 4457 3.819 1.422 1.827 0.4043 0.2736 -0.3743 + 1467SOL HW1 4458 3.784 1.426 1.738 -0.4545 -0.8408 -0.1323 + 1467SOL HW2 4459 3.877 1.346 1.827 0.3196 0.2023 0.0430 + 1468SOL OW 4460 2.847 2.855 2.829 0.2702 0.4111 -0.0560 + 1468SOL HW1 4461 2.766 2.882 2.874 -0.0211 -0.2679 -0.1535 + 1468SOL HW2 4462 2.822 2.779 2.778 1.0042 0.1195 -0.0036 + 1469SOL OW 4463 3.631 1.053 2.855 0.2348 0.3688 0.2951 + 1469SOL HW1 4464 3.548 1.060 2.901 0.3074 0.8145 0.3718 + 1469SOL HW2 4465 3.670 0.972 2.887 -0.8912 -0.7722 -0.9547 + 1470SOL OW 4466 2.710 1.567 0.577 -0.3782 0.0514 -0.0543 + 1470SOL HW1 4467 2.666 1.524 0.504 0.4994 -0.1119 -0.5227 + 1470SOL HW2 4468 2.640 1.600 0.632 -1.1325 -1.6265 0.1287 + 1471SOL OW 4469 0.671 0.546 2.800 -0.3143 0.7820 0.2092 + 1471SOL HW1 4470 0.725 0.522 2.876 -0.2232 -0.0416 -0.1006 + 1471SOL HW2 4471 0.652 0.639 2.813 -0.2932 0.6674 1.2408 + 1472SOL OW 4472 2.569 1.212 1.013 0.1904 0.1676 -0.0167 + 1472SOL HW1 4473 2.562 1.165 0.930 -0.4196 -0.1750 0.2111 + 1472SOL HW2 4474 2.479 1.239 1.033 0.4459 0.9834 0.1262 + 1473SOL OW 4475 3.600 1.788 1.578 0.5204 -0.1464 0.9256 + 1473SOL HW1 4476 3.609 1.779 1.483 0.1733 -1.1921 0.9681 + 1473SOL HW2 4477 3.570 1.877 1.590 0.2727 -0.0830 0.0252 + 1474SOL OW 4478 3.066 2.228 2.643 -0.4152 -0.0896 -0.8906 + 1474SOL HW1 4479 3.094 2.141 2.671 -0.2746 -0.2925 -1.6086 + 1474SOL HW2 4480 3.138 2.260 2.588 -0.2342 0.7086 -0.2165 + 1475SOL OW 4481 1.078 0.721 0.964 -0.2703 -0.5076 0.1939 + 1475SOL HW1 4482 1.021 0.794 0.988 -0.0574 -0.3809 0.3103 + 1475SOL HW2 4483 1.103 0.681 1.047 0.3917 -0.1253 0.1875 + 1476SOL OW 4484 0.883 1.321 2.430 0.5615 -0.3000 0.2615 + 1476SOL HW1 4485 0.816 1.298 2.366 0.0794 -0.3871 0.7711 + 1476SOL HW2 4486 0.939 1.243 2.435 0.7297 -0.2148 -0.1907 + 1477SOL OW 4487 0.316 3.311 1.858 0.0787 0.3375 0.2166 + 1477SOL HW1 4488 0.298 3.233 1.806 -0.5139 0.2994 0.4690 + 1477SOL HW2 4489 0.410 3.306 1.877 0.0964 -0.1762 0.0212 + 1478SOL OW 4490 1.515 0.742 0.642 0.5363 0.7862 0.2385 + 1478SOL HW1 4491 1.508 0.735 0.547 0.8640 -0.0440 0.2649 + 1478SOL HW2 4492 1.425 0.732 0.674 0.6038 -0.6550 0.0883 + 1479SOL OW 4493 0.742 2.676 2.432 0.3919 -0.0083 0.5330 + 1479SOL HW1 4494 0.783 2.592 2.415 0.9326 0.1428 1.0492 + 1479SOL HW2 4495 0.762 2.696 2.523 0.4062 0.7498 0.3816 + 1480SOL OW 4496 3.027 3.831 3.086 -0.3540 0.2894 -0.0898 + 1480SOL HW1 4497 3.058 3.914 3.122 0.5868 -0.6639 1.5643 + 1480SOL HW2 4498 3.101 3.798 3.035 -0.1866 -0.1418 0.4211 + 1481SOL OW 4499 3.938 2.459 3.256 0.3407 -0.2793 -0.1645 + 1481SOL HW1 4500 3.924 2.536 3.201 0.7843 0.5237 0.7861 + 1481SOL HW2 4501 4.017 2.479 3.306 0.1761 -1.1331 0.4871 + 1482SOL OW 4502 1.380 2.591 0.563 0.1679 -0.1980 -0.2528 + 1482SOL HW1 4503 1.412 2.556 0.646 -0.5341 0.2534 0.2278 + 1482SOL HW2 4504 1.285 2.590 0.572 0.0621 -0.5896 -1.2505 + 1483SOL OW 4505 1.667 3.503 1.271 -0.0839 0.5903 0.0080 + 1483SOL HW1 4506 1.650 3.510 1.177 -0.4336 -0.0341 0.0181 + 1483SOL HW2 4507 1.643 3.413 1.294 -1.0215 1.0265 0.9035 + 1484SOL OW 4508 0.034 3.088 1.031 -0.1332 0.5216 0.5012 + 1484SOL HW1 4509 0.054 3.036 1.109 0.1643 1.1601 0.8659 + 1484SOL HW2 4510 0.026 3.024 0.960 -0.9579 -0.1304 1.1455 + 1485SOL OW 4511 3.588 1.505 3.528 0.2389 -0.4168 -0.0957 + 1485SOL HW1 4512 3.599 1.563 3.604 0.6146 0.6453 -0.9180 + 1485SOL HW2 4513 3.510 1.453 3.549 0.0901 0.1323 0.8261 + 1486SOL OW 4514 0.010 0.397 1.369 0.3200 -0.1158 -0.3239 + 1486SOL HW1 4515 0.045 0.332 1.309 -0.4140 -0.5510 -0.3094 + 1486SOL HW2 4516 -0.047 0.451 1.314 0.5246 0.1935 -0.2335 + 1487SOL OW 4517 2.126 1.377 0.395 0.1434 0.3887 0.0998 + 1487SOL HW1 4518 2.162 1.383 0.306 -0.0437 0.6633 0.0412 + 1487SOL HW2 4519 2.077 1.294 0.395 0.6462 0.0813 0.1372 + 1488SOL OW 4520 3.584 2.023 2.918 -0.0676 0.6545 0.2565 + 1488SOL HW1 4521 3.622 2.059 2.998 0.8495 0.5449 -0.1090 + 1488SOL HW2 4522 3.644 2.051 2.848 -0.6095 0.3802 -0.3387 + 1489SOL OW 4523 0.060 3.211 3.359 -0.1376 -0.6472 -0.1951 + 1489SOL HW1 4524 0.145 3.166 3.366 0.6582 0.8612 1.3516 + 1489SOL HW2 4525 0.078 3.287 3.304 0.0185 0.5245 1.3618 + 1490SOL OW 4526 1.142 1.762 1.871 -0.1672 -0.6145 0.3626 + 1490SOL HW1 4527 1.077 1.741 1.939 -0.5433 -0.6312 0.0061 + 1490SOL HW2 4528 1.176 1.677 1.844 -0.6444 -0.6774 -0.0679 + 1491SOL OW 4529 3.481 1.711 1.329 -0.2653 0.4729 -0.3912 + 1491SOL HW1 4530 3.506 1.638 1.272 0.9208 0.4370 0.1077 + 1491SOL HW2 4531 3.411 1.676 1.383 -0.0018 -0.1683 -0.4451 + 1492SOL OW 4532 2.154 1.940 3.452 -0.1261 -0.4179 0.3695 + 1492SOL HW1 4533 2.158 1.872 3.385 2.1500 -0.0967 0.0013 + 1492SOL HW2 4534 2.173 1.894 3.534 -0.6318 -0.4977 0.4436 + 1493SOL OW 4535 1.796 1.578 0.933 -0.2887 -0.5307 -0.3655 + 1493SOL HW1 4536 1.844 1.598 0.853 0.9180 0.3684 0.5059 + 1493SOL HW2 4537 1.765 1.663 0.964 -1.0295 -0.9023 -0.0416 + 1494SOL OW 4538 3.824 3.775 2.259 -0.3247 -0.0996 -0.3395 + 1494SOL HW1 4539 3.872 3.741 2.335 -1.3047 0.1010 0.4057 + 1494SOL HW2 4540 3.784 3.856 2.290 -0.5671 0.1076 -1.1498 + 1495SOL OW 4541 0.024 0.203 1.139 -0.1775 -0.2596 -0.2790 + 1495SOL HW1 4542 -0.016 0.178 1.056 0.3394 -0.4077 -0.4844 + 1495SOL HW2 4543 -0.001 0.133 1.199 -0.3645 -0.2640 -0.3586 + 1496SOL OW 4544 3.932 3.256 0.634 0.0943 -0.1489 0.2706 + 1496SOL HW1 4545 3.885 3.314 0.573 0.0770 -0.1250 0.3068 + 1496SOL HW2 4546 3.959 3.182 0.580 0.0710 -0.1318 0.2353 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1502SOL HW2 4564 0.707 0.865 2.735 0.3219 -0.5774 -0.3752 + 1503SOL OW 4565 0.812 1.862 2.144 -0.3350 -0.1884 0.2315 + 1503SOL HW1 4566 0.859 1.813 2.076 -0.2367 -0.0497 0.1984 + 1503SOL HW2 4567 0.758 1.925 2.095 -0.4512 -0.2541 0.2742 + 1504SOL OW 4568 3.009 2.170 0.861 0.1935 -0.5352 -0.3997 + 1504SOL HW1 4569 3.047 2.185 0.774 -0.0763 -1.1582 -0.6320 + 1504SOL HW2 4570 2.959 2.250 0.880 0.5287 -0.2577 -0.6647 + 1505SOL OW 4571 0.762 3.169 3.465 0.7262 -0.0456 -0.1335 + 1505SOL HW1 4572 0.773 3.143 3.557 0.1267 0.7400 0.1865 + 1505SOL HW2 4573 0.689 3.115 3.434 0.5586 0.0834 0.0299 + 1506SOL OW 4574 1.949 0.021 2.406 0.3584 0.5168 0.4393 + 1506SOL HW1 4575 1.981 0.041 2.318 -1.1396 1.1464 -0.0237 + 1506SOL HW2 4576 1.972 0.098 2.458 1.1205 0.2042 0.5818 + 1507SOL OW 4577 0.624 3.033 2.805 0.5407 0.2906 -0.2972 + 1507SOL HW1 4578 0.539 3.068 2.778 0.5067 -0.0608 -0.6581 + 1507SOL HW2 4579 0.627 3.049 2.899 0.6307 1.4695 -0.4702 + 1508SOL OW 4580 3.309 1.730 0.540 -0.4465 -0.1329 -0.0100 + 1508SOL HW1 4581 3.215 1.744 0.552 -0.4914 -0.1119 -0.3727 + 1508SOL HW2 4582 3.334 1.792 0.471 -0.0189 0.3767 0.5745 + 1509SOL OW 4583 2.198 2.797 3.221 0.0482 0.3372 -0.0296 + 1509SOL HW1 4584 2.163 2.794 3.310 -0.3855 0.9715 -0.1665 + 1509SOL HW2 4585 2.255 2.720 3.215 -0.3792 -0.0435 0.5968 + 1510SOL OW 4586 1.939 0.697 1.564 -0.1539 -0.2748 0.1852 + 1510SOL HW1 4587 2.009 0.679 1.501 -0.2315 -0.4663 0.1523 + 1510SOL HW2 4588 1.870 0.738 1.512 -0.9344 -1.9540 -0.2390 + 1511SOL OW 4589 2.456 1.208 2.389 -0.1146 -0.6183 0.4193 + 1511SOL HW1 4590 2.406 1.149 2.331 0.1500 -0.8464 0.4200 + 1511SOL HW2 4591 2.427 1.296 2.365 0.2114 -0.6901 -0.2751 + 1512SOL OW 4592 0.297 0.340 1.845 -0.6590 -0.2333 0.3232 + 1512SOL HW1 4593 0.230 0.400 1.877 -0.0486 0.3129 0.6285 + 1512SOL HW2 4594 0.327 0.293 1.923 0.3704 0.6302 0.5010 + 1513SOL OW 4595 3.216 0.015 3.191 0.2295 -0.4144 0.1857 + 1513SOL HW1 4596 3.160 0.080 3.234 1.0314 -0.1148 0.8354 + 1513SOL HW2 4597 3.255 0.062 3.117 -0.1820 -0.5595 -0.1342 + 1514SOL OW 4598 3.938 2.193 0.233 0.1129 -0.6543 -0.2603 + 1514SOL HW1 4599 4.020 2.170 0.276 0.5398 0.1050 -0.6271 + 1514SOL HW2 4600 3.955 2.183 0.139 0.3450 1.0084 -0.4617 + 1515SOL OW 4601 3.704 2.103 3.185 0.1541 0.6145 -0.3055 + 1515SOL HW1 4602 3.640 2.135 3.248 0.2806 0.4795 -0.1074 + 1515SOL HW2 4603 3.757 2.040 3.234 0.2854 0.5468 -0.5316 + 1516SOL OW 4604 3.545 1.396 1.488 0.0985 -0.1987 -0.8816 + 1516SOL HW1 4605 3.517 1.305 1.482 0.4907 -0.3290 -0.7493 + 1516SOL HW2 4606 3.469 1.442 1.524 0.0743 -0.5589 -0.4574 + 1517SOL OW 4607 3.713 0.026 2.374 0.2458 0.3643 0.1879 + 1517SOL HW1 4608 3.729 0.114 2.339 -1.1671 0.8725 0.6593 + 1517SOL HW2 4609 3.747 0.029 2.463 0.6015 0.2677 0.0597 + 1518SOL OW 4610 2.601 0.370 2.186 -0.2047 0.7227 1.0034 + 1518SOL HW1 4611 2.678 0.317 2.208 0.4608 1.1307 -0.1873 + 1518SOL HW2 4612 2.542 0.309 2.142 0.7002 0.9281 -0.6715 + 1519SOL OW 4613 2.792 3.862 2.552 0.0675 0.4157 -0.1159 + 1519SOL HW1 4614 2.756 3.898 2.471 0.8380 -0.1034 -0.7228 + 1519SOL HW2 4615 2.756 3.774 2.558 -0.0728 0.4902 0.1710 + 1520SOL OW 4616 1.722 2.927 1.749 0.1782 0.3978 -0.0687 + 1520SOL HW1 4617 1.790 2.897 1.809 0.1337 0.5901 0.0779 + 1520SOL HW2 4618 1.661 2.976 1.803 0.1383 0.5750 -0.2687 + 1521SOL OW 4619 3.808 0.975 2.642 -0.2447 0.1955 0.4645 + 1521SOL HW1 4620 3.759 1.013 2.715 -0.6177 1.3245 -0.3164 + 1521SOL HW2 4621 3.810 1.044 2.575 1.0265 -0.3847 -0.1857 + 1522SOL OW 4622 1.070 0.768 1.652 -0.1514 0.3963 -0.3302 + 1522SOL HW1 4623 0.995 0.742 1.598 -0.3587 0.1280 0.0784 + 1522SOL HW2 4624 1.114 0.685 1.673 -0.2919 0.4536 0.2246 + 1523SOL OW 4625 3.892 3.992 0.271 -0.1679 -0.0215 -0.1411 + 1523SOL HW1 4626 3.911 3.900 0.253 -0.4611 -0.2225 0.5257 + 1523SOL HW2 4627 3.977 4.031 0.290 -0.0964 -0.2687 0.0571 + 1524SOL OW 4628 3.795 3.173 1.382 -0.6343 -0.0352 0.0447 + 1524SOL HW1 4629 3.824 3.095 1.334 0.0328 0.4852 -0.4272 + 1524SOL HW2 4630 3.840 3.166 1.466 0.2799 0.3507 -0.3848 + 1525SOL OW 4631 3.870 2.851 0.125 -0.1032 -0.2815 0.2096 + 1525SOL HW1 4632 3.912 2.932 0.096 -0.6146 0.1629 0.6503 + 1525SOL HW2 4633 3.837 2.811 0.044 1.1500 -0.6652 -0.1503 + 1526SOL OW 4634 0.650 2.640 2.173 0.3277 -0.0933 0.1128 + 1526SOL HW1 4635 0.638 2.656 2.267 -0.3151 -0.0398 0.0251 + 1526SOL HW2 4636 0.743 2.616 2.166 0.4544 0.1506 0.7245 + 1527SOL OW 4637 0.042 3.445 1.254 -0.3309 -0.0566 0.2251 + 1527SOL HW1 4638 0.070 3.405 1.172 -0.8258 -1.0496 0.4988 + 1527SOL HW2 4639 0.072 3.384 1.322 -0.6321 0.3242 0.7146 + 1528SOL OW 4640 1.198 3.038 0.575 0.1157 0.2131 0.4385 + 1528SOL HW1 4641 1.123 2.978 0.565 0.2526 0.1646 -0.3764 + 1528SOL HW2 4642 1.257 2.991 0.634 0.5289 -0.7997 -0.6932 + 1529SOL OW 4643 3.977 0.248 2.048 0.4266 0.2755 -0.5112 + 1529SOL HW1 4644 4.054 0.295 2.080 0.7063 -0.5480 0.1097 + 1529SOL HW2 4645 3.920 0.240 2.125 0.1378 0.0784 -0.7398 + 1530SOL OW 4646 3.038 2.164 1.797 -0.0622 -0.2305 0.5135 + 1530SOL HW1 4647 3.041 2.222 1.872 -0.8312 -1.0001 1.1898 + 1530SOL HW2 4648 2.950 2.176 1.761 0.4233 0.4227 -0.5500 + 1531SOL OW 4649 0.027 1.701 1.025 0.0494 -0.5721 -0.4073 + 1531SOL HW1 4650 0.021 1.703 1.120 -0.5091 1.0775 -0.4094 + 1531SOL HW2 4651 0.121 1.709 1.007 0.1944 -1.2849 -0.0142 + 1532SOL OW 4652 3.175 1.027 1.891 0.1635 -0.7719 0.3438 + 1532SOL HW1 4653 3.092 1.034 1.939 -0.3275 -0.3370 -0.5319 + 1532SOL HW2 4654 3.202 1.118 1.876 1.0566 -0.8976 0.9962 + 1533SOL OW 4655 3.919 1.138 3.709 0.0259 -0.7732 -0.4295 + 1533SOL HW1 4656 3.997 1.087 3.689 0.7198 0.0623 0.0237 + 1533SOL HW2 4657 3.904 1.191 3.631 0.0927 -0.7131 -0.4014 + 1534SOL OW 4658 0.753 1.238 1.934 0.1542 0.1814 0.1727 + 1534SOL HW1 4659 0.736 1.332 1.927 -0.3065 0.0519 -1.1496 + 1534SOL HW2 4660 0.666 1.199 1.946 0.0605 -0.1582 -1.2485 + 1535SOL OW 4661 1.279 1.480 0.125 0.5716 -0.3002 0.3349 + 1535SOL HW1 4662 1.343 1.543 0.092 -0.2691 0.9802 0.9924 + 1535SOL HW2 4663 1.230 1.452 0.047 1.1761 -0.4287 -0.0096 + 1536SOL OW 4664 0.738 3.300 1.735 0.3321 0.3574 0.4393 + 1536SOL HW1 4665 0.679 3.284 1.808 0.1441 0.6245 0.3470 + 1536SOL HW2 4666 0.690 3.270 1.657 0.3168 0.5787 0.3634 + 1537SOL OW 4667 2.638 2.648 0.940 0.8631 0.4332 -0.6810 + 1537SOL HW1 4668 2.575 2.644 1.012 -0.1227 -0.3608 -1.5454 + 1537SOL HW2 4669 2.610 2.723 0.887 1.0482 0.4687 -0.7329 + 1538SOL OW 4670 1.865 0.906 0.500 0.2831 0.0570 -0.4018 + 1538SOL HW1 4671 1.802 0.897 0.428 -0.7797 0.2885 0.4312 + 1538SOL HW2 4672 1.873 0.818 0.536 0.3539 0.0449 -0.4477 + 1539SOL OW 4673 2.776 3.283 0.312 -0.2593 0.6737 0.0960 + 1539SOL HW1 4674 2.831 3.229 0.255 -0.5213 0.0390 0.4239 + 1539SOL HW2 4675 2.736 3.347 0.253 -1.5968 -0.8008 -0.7247 + 1540SOL OW 4676 0.063 1.728 0.269 -0.3391 0.1051 -0.2533 + 1540SOL HW1 4677 0.106 1.699 0.350 0.5472 -0.9982 -1.0731 + 1540SOL HW2 4678 0.025 1.813 0.293 -0.2049 -0.2100 1.3409 + 1541SOL OW 4679 3.794 1.468 1.554 0.1180 -0.4477 0.4346 + 1541SOL HW1 4680 3.704 1.468 1.519 0.0554 -1.1309 0.5546 + 1541SOL HW2 4681 3.827 1.556 1.537 -0.2900 -0.4313 -0.3532 + 1542SOL OW 4682 2.224 1.868 2.443 -0.3907 -0.3250 0.1550 + 1542SOL HW1 4683 2.226 1.947 2.497 -0.1153 -0.1146 -0.1567 + 1542SOL HW2 4684 2.133 1.838 2.448 -0.7957 0.6831 -0.6745 + 1543SOL OW 4685 0.828 3.077 3.761 -0.3464 -0.0183 -0.1174 + 1543SOL HW1 4686 0.858 3.113 3.845 -0.2394 -0.8421 0.2187 + 1543SOL HW2 4687 0.907 3.041 3.721 -0.3046 0.8095 -0.8244 + 1544SOL OW 4688 3.263 2.346 1.031 0.1387 -0.1222 -0.1485 + 1544SOL HW1 4689 3.278 2.332 0.938 1.1753 0.1475 -0.0497 + 1544SOL HW2 4690 3.179 2.390 1.036 0.2327 0.1914 -0.9892 + 1545SOL OW 4691 3.272 3.048 3.452 0.2155 -0.2444 -0.1914 + 1545SOL HW1 4692 3.339 3.096 3.502 0.0338 0.3542 -0.5001 + 1545SOL HW2 4693 3.194 3.102 3.459 -0.3328 -1.0701 0.3916 + 1546SOL OW 4694 3.143 1.805 2.659 0.1784 0.5332 0.1571 + 1546SOL HW1 4695 3.215 1.744 2.675 -0.5530 -0.2895 0.4054 + 1546SOL HW2 4696 3.184 1.892 2.665 1.0793 0.0996 0.6354 + 1547SOL OW 4697 1.754 1.663 3.424 0.1282 -0.0100 -0.2175 + 1547SOL HW1 4698 1.801 1.685 3.504 0.6576 -0.1222 -0.4912 + 1547SOL HW2 4699 1.663 1.687 3.442 0.3803 0.7272 0.1234 + 1548SOL OW 4700 3.376 2.810 0.237 -0.0415 0.0287 0.7930 + 1548SOL HW1 4701 3.351 2.720 0.255 -0.0328 0.1121 1.2609 + 1548SOL HW2 4702 3.402 2.811 0.145 -0.8264 -0.2651 0.5578 + 1549SOL OW 4703 2.298 1.006 2.226 -0.2864 -0.0483 -0.6127 + 1549SOL HW1 4704 2.215 1.040 2.193 -1.4032 0.5667 2.2910 + 1549SOL HW2 4705 2.279 0.917 2.253 -0.2536 0.2648 0.5635 + 1550SOL OW 4706 0.058 1.953 2.161 -0.1241 0.0222 -0.3373 + 1550SOL HW1 4707 0.067 1.860 2.143 0.1708 -0.0379 0.0853 + 1550SOL HW2 4708 0.003 1.957 2.239 -0.2134 0.2097 -0.4087 + 1551SOL OW 4709 0.418 2.008 2.799 -0.5620 -0.4528 0.7261 + 1551SOL HW1 4710 0.406 2.047 2.885 0.0746 -0.0257 0.6357 + 1551SOL HW2 4711 0.491 1.947 2.810 0.3115 0.4479 0.2598 + 1552SOL OW 4712 1.804 0.654 0.350 -0.2416 0.1011 -0.2410 + 1552SOL HW1 4713 1.900 0.649 0.346 -0.2255 0.2499 -0.0525 + 1552SOL HW2 4714 1.778 0.691 0.265 -0.2322 -1.2286 -0.8821 + 1553SOL OW 4715 1.428 2.067 3.671 -0.2144 -0.1734 -0.2116 + 1553SOL HW1 4716 1.507 2.090 3.622 -0.7689 0.5708 -0.8089 + 1553SOL HW2 4717 1.376 2.014 3.610 -1.1408 1.1790 -0.6999 + 1554SOL OW 4718 1.003 2.836 0.543 0.4122 0.4135 0.7698 + 1554SOL HW1 4719 0.909 2.816 0.539 0.4731 0.1815 0.3438 + 1554SOL HW2 4720 1.043 2.757 0.580 0.5578 0.0496 -0.1165 + 1555SOL OW 4721 1.620 3.112 0.269 -0.3147 -0.2505 0.0306 + 1555SOL HW1 4722 1.632 3.196 0.315 -0.9190 -0.0635 -0.1317 + 1555SOL HW2 4723 1.536 3.079 0.302 -0.5071 -0.3609 -0.5600 + 1556SOL OW 4724 2.935 3.497 3.542 -0.4966 0.0795 -0.5360 + 1556SOL HW1 4725 2.856 3.443 3.536 0.2260 -0.9878 -1.0931 + 1556SOL HW2 4726 2.971 3.496 3.453 0.6452 -0.2811 -0.0962 + 1557SOL OW 4727 1.986 1.819 1.438 -0.4742 0.3679 0.1057 + 1557SOL HW1 4728 2.037 1.741 1.415 -0.7983 0.0421 0.4637 + 1557SOL HW2 4729 1.895 1.792 1.426 -0.5783 0.8697 -0.2982 + 1558SOL OW 4730 0.161 1.240 0.681 -0.1369 0.1967 -0.2332 + 1558SOL HW1 4731 0.084 1.276 0.726 -0.0606 0.2050 -0.1068 + 1558SOL HW2 4732 0.144 1.146 0.677 -0.4232 0.2626 -0.7316 + 1559SOL OW 4733 3.759 3.521 3.142 0.6199 -0.4571 0.3669 + 1559SOL HW1 4734 3.713 3.471 3.075 0.2608 -0.3446 0.5241 + 1559SOL HW2 4735 3.712 3.604 3.147 1.2679 -0.0570 0.0407 + 1560SOL OW 4736 1.216 1.415 1.354 0.4090 -0.2295 -0.2024 + 1560SOL HW1 4737 1.173 1.404 1.269 -0.3962 -0.5947 0.2320 + 1560SOL HW2 4738 1.185 1.500 1.386 0.3810 -0.2827 -0.0887 + 1561SOL OW 4739 3.484 1.499 0.210 0.2966 -0.1141 0.4914 + 1561SOL HW1 4740 3.532 1.578 0.236 0.6837 -0.0220 -0.4192 + 1561SOL HW2 4741 3.437 1.472 0.289 0.8946 0.4925 1.0783 + 1562SOL OW 4742 3.600 0.364 3.506 0.1395 0.3061 -0.0140 + 1562SOL HW1 4743 3.693 0.376 3.527 0.1073 -1.8365 2.0787 + 1562SOL HW2 4744 3.557 0.441 3.544 0.9559 0.9306 -0.3003 + 1563SOL OW 4745 0.450 2.004 2.402 -0.2765 0.4320 0.2223 + 1563SOL HW1 4746 0.546 2.003 2.403 -0.2766 0.0724 0.0674 + 1563SOL HW2 4747 0.427 2.092 2.433 0.1163 1.1408 -1.3161 + 1564SOL OW 4748 2.967 3.892 0.856 0.0979 -0.4972 -0.1117 + 1564SOL HW1 4749 2.959 3.925 0.945 0.6177 -0.4688 -0.0690 + 1564SOL HW2 4750 2.933 3.802 0.861 0.4792 -0.6287 0.2016 + 1565SOL OW 4751 0.287 3.191 0.610 -0.1643 0.4431 -0.3733 + 1565SOL HW1 4752 0.282 3.248 0.687 -1.2605 0.1221 -0.1733 + 1565SOL HW2 4753 0.249 3.108 0.640 -0.7554 0.3589 -1.3010 + 1566SOL OW 4754 0.587 0.002 1.519 -0.4469 0.2191 0.4740 + 1566SOL HW1 4755 0.645 0.072 1.488 -0.4129 -0.0012 0.0314 + 1566SOL HW2 4756 0.590 0.010 1.614 0.1835 0.3169 0.4566 + 1567SOL OW 4757 1.567 1.773 1.833 0.2470 -0.3396 0.1065 + 1567SOL HW1 4758 1.581 1.807 1.744 -0.7346 -0.5067 -0.1422 + 1567SOL HW2 4759 1.526 1.846 1.880 0.3893 -0.3871 0.3065 + 1568SOL OW 4760 1.683 1.119 0.629 -0.1403 0.4801 -0.5777 + 1568SOL HW1 4761 1.761 1.067 0.648 -0.7105 -0.1367 0.2213 + 1568SOL HW2 4762 1.647 1.079 0.550 -0.2375 0.0311 -0.3183 + 1569SOL OW 4763 2.514 2.182 2.235 0.1074 -0.0284 -0.1211 + 1569SOL HW1 4764 2.591 2.233 2.209 0.0282 0.7164 0.9716 + 1569SOL HW2 4765 2.547 2.119 2.299 -0.0591 -0.2927 -0.2923 + 1570SOL OW 4766 2.114 1.676 0.809 0.1227 0.2968 -0.4662 + 1570SOL HW1 4767 2.073 1.612 0.751 -0.0006 -0.4356 0.3774 + 1570SOL HW2 4768 2.168 1.624 0.868 -0.3854 0.8863 0.5920 + 1571SOL OW 4769 3.236 3.066 0.212 -0.0897 -0.0700 0.3175 + 1571SOL HW1 4770 3.179 3.052 0.287 0.1660 -0.0266 0.5197 + 1571SOL HW2 4771 3.275 2.981 0.194 -0.3160 -0.1298 0.0961 + 1572SOL OW 4772 1.103 2.183 3.509 -0.4374 -0.2713 0.6333 + 1572SOL HW1 4773 1.083 2.228 3.427 -0.9725 -1.0054 0.3419 + 1572SOL HW2 4774 1.157 2.245 3.558 -0.2779 0.2596 -0.1860 + 1573SOL OW 4775 3.371 3.030 3.117 -0.3675 -0.2836 -0.2107 + 1573SOL HW1 4776 3.376 2.972 3.040 -0.3039 -0.8165 0.1806 + 1573SOL HW2 4777 3.460 3.027 3.153 -0.4942 -0.3518 0.0998 + 1574SOL OW 4778 2.318 0.007 3.967 -0.7096 0.2895 0.1788 + 1574SOL HW1 4779 2.340 0.092 4.006 -0.3037 0.6277 -0.7165 + 1574SOL HW2 4780 2.262 0.030 3.892 0.3045 -0.0972 -0.7622 + 1575SOL OW 4781 0.357 0.269 1.416 0.3232 0.1555 -0.8292 + 1575SOL HW1 4782 0.344 0.175 1.434 -1.6761 0.5334 0.2666 + 1575SOL HW2 4783 0.391 0.304 1.498 0.0101 0.5267 -0.8528 + 1576SOL OW 4784 3.128 0.374 0.796 -0.4451 0.0948 -0.0819 + 1576SOL HW1 4785 3.209 0.338 0.832 0.0909 0.1854 -1.1109 + 1576SOL HW2 4786 3.085 0.298 0.755 -0.0941 0.3078 -0.8806 + 1577SOL OW 4787 3.791 2.106 2.060 0.2020 0.1582 -0.0565 + 1577SOL HW1 4788 3.734 2.128 2.133 -0.8153 0.1865 -0.8315 + 1577SOL HW2 4789 3.759 2.021 2.030 -0.0389 0.5889 -1.0715 + 1578SOL OW 4790 2.501 3.898 3.536 -0.1102 0.6520 -0.3477 + 1578SOL HW1 4791 2.580 3.856 3.501 -0.4134 0.4620 -0.8207 + 1578SOL HW2 4792 2.457 3.829 3.586 0.3071 0.9144 0.4288 + 1579SOL OW 4793 0.118 1.159 2.924 -0.1175 0.2791 0.1846 + 1579SOL HW1 4794 0.164 1.158 3.008 -0.1408 -0.2980 0.2031 + 1579SOL HW2 4795 0.104 1.066 2.904 -0.1068 0.4074 -0.4594 + 1580SOL OW 4796 2.081 1.004 2.033 0.4647 -0.5234 0.0196 + 1580SOL HW1 4797 1.998 1.045 2.007 0.4031 -0.7296 -0.1147 + 1580SOL HW2 4798 2.055 0.920 2.070 0.4867 0.0425 1.4424 + 1581SOL OW 4799 2.074 0.632 0.396 0.0363 0.0509 0.0869 + 1581SOL HW1 4800 2.092 0.602 0.485 0.7572 0.2504 0.0162 + 1581SOL HW2 4801 2.105 0.561 0.339 -0.5932 -0.1587 -0.0093 + 1582SOL OW 4802 2.225 1.606 2.576 0.2376 -0.2117 -0.4303 + 1582SOL HW1 4803 2.228 1.694 2.539 -1.5366 0.1600 0.1072 + 1582SOL HW2 4804 2.207 1.621 2.669 0.1001 -1.1327 -0.2953 + 1583SOL OW 4805 3.061 3.776 1.368 -0.8942 0.3475 -0.4664 + 1583SOL HW1 4806 3.077 3.701 1.311 0.4508 0.3554 -0.1665 + 1583SOL HW2 4807 3.099 3.851 1.322 0.3996 0.3224 0.4431 + 1584SOL OW 4808 1.042 2.278 1.664 -0.0470 -0.7654 -0.3653 + 1584SOL HW1 4809 1.094 2.292 1.743 -0.8307 1.0455 -0.0728 + 1584SOL HW2 4810 1.107 2.267 1.594 0.6882 -0.6544 0.2713 + 1585SOL OW 4811 3.909 2.902 0.797 -0.0278 0.0976 0.0814 + 1585SOL HW1 4812 3.842 2.927 0.733 -0.6871 -0.4688 0.5206 + 1585SOL HW2 4813 3.877 2.820 0.834 1.2494 -0.5682 -0.1607 + 1586SOL OW 4814 3.569 1.450 1.224 -0.3585 0.0470 0.0530 + 1586SOL HW1 4815 3.558 1.450 1.319 0.1168 0.0914 0.1149 + 1586SOL HW2 4816 3.642 1.390 1.209 -0.2367 0.2697 -0.2560 + 1587SOL OW 4817 3.751 2.122 1.380 0.2963 0.3285 0.0933 + 1587SOL HW1 4818 3.660 2.096 1.367 -0.0292 0.9992 0.8848 + 1587SOL HW2 4819 3.796 2.042 1.408 -0.3250 0.2388 0.8872 + 1588SOL OW 4820 2.568 2.062 3.663 -0.1299 -0.2764 -0.6940 + 1588SOL HW1 4821 2.486 2.094 3.700 0.0468 -0.1230 -0.4301 + 1588SOL HW2 4822 2.550 1.971 3.638 -0.3371 -0.2868 -0.5069 + 1589SOL OW 4823 1.443 2.163 3.064 -0.9928 -0.3698 0.2818 + 1589SOL HW1 4824 1.400 2.099 3.007 -1.4266 -0.4905 0.7318 + 1589SOL HW2 4825 1.417 2.248 3.028 0.1359 -0.3934 -0.7408 + 1590SOL OW 4826 0.035 0.440 0.992 0.4242 0.2292 0.0666 + 1590SOL HW1 4827 0.028 0.364 1.050 0.6046 0.2518 0.1202 + 1590SOL HW2 4828 0.001 0.409 0.908 -0.7619 0.4714 0.4225 + 1591SOL OW 4829 2.548 2.983 2.210 -0.1896 -0.2033 -0.4025 + 1591SOL HW1 4830 2.599 2.955 2.287 0.3052 -0.1520 -0.7047 + 1591SOL HW2 4831 2.478 2.917 2.203 -0.4532 -0.0185 0.2866 + 1592SOL OW 4832 2.504 3.439 2.522 0.5704 0.0013 0.2807 + 1592SOL HW1 4833 2.531 3.350 2.546 1.3648 -0.1545 -1.0039 + 1592SOL HW2 4834 2.423 3.427 2.473 0.8542 -0.0623 -0.1810 + 1593SOL OW 4835 2.283 2.320 2.230 0.2471 0.0204 0.0852 + 1593SOL HW1 4836 2.262 2.289 2.318 0.3196 -0.1478 0.0444 + 1593SOL HW2 4837 2.370 2.283 2.212 -0.2638 -0.9800 -0.5330 + 1594SOL OW 4838 3.806 3.207 0.860 -0.1859 -0.0404 -0.1698 + 1594SOL HW1 4839 3.842 3.223 0.773 -1.1752 -0.2280 -0.6432 + 1594SOL HW2 4840 3.869 3.148 0.901 0.2387 -0.0458 -0.8000 + 1595SOL OW 4841 2.753 1.809 1.986 -0.0076 0.4478 0.1547 + 1595SOL HW1 4842 2.781 1.775 1.901 -0.1722 -0.3079 0.3847 + 1595SOL HW2 4843 2.797 1.893 1.994 1.1438 -0.0892 -0.0743 + 1596SOL OW 4844 0.591 0.699 1.745 -0.2957 0.2663 0.0012 + 1596SOL HW1 4845 0.624 0.640 1.678 0.7367 0.4906 0.2829 + 1596SOL HW2 4846 0.497 0.680 1.749 -0.1506 -0.7012 -0.5503 + 1597SOL OW 4847 3.517 3.474 1.614 -0.0213 0.0568 1.1129 + 1597SOL HW1 4848 3.575 3.550 1.612 -0.0140 0.0647 0.0599 + 1597SOL HW2 4849 3.575 3.399 1.624 0.2734 0.0341 -0.3157 + 1598SOL OW 4850 3.144 3.919 3.702 -0.4953 -0.0483 -0.1868 + 1598SOL HW1 4851 3.100 3.861 3.640 -0.3589 -0.0782 -0.2579 + 1598SOL HW2 4852 3.237 3.909 3.682 -0.4429 -0.1183 0.0755 + 1599SOL OW 4853 2.363 0.327 3.714 0.1703 -0.0934 0.6107 + 1599SOL HW1 4854 2.295 0.272 3.753 0.3771 -0.3522 0.6088 + 1599SOL HW2 4855 2.437 0.268 3.700 0.3120 0.1325 0.3888 + 1600SOL OW 4856 0.594 1.648 1.639 -0.4651 0.1722 0.7424 + 1600SOL HW1 4857 0.657 1.676 1.705 -0.1378 0.5232 0.2944 + 1600SOL HW2 4858 0.625 1.688 1.558 -0.7851 -0.3533 0.3491 + 1601SOL OW 4859 2.378 1.639 1.391 0.0076 0.1505 -1.2093 + 1601SOL HW1 4860 2.463 1.657 1.432 -0.2807 0.5420 -0.7551 + 1601SOL HW2 4861 2.386 1.551 1.357 -0.1299 -0.7762 0.8462 + 1602SOL OW 4862 0.976 1.093 0.449 -0.4492 -0.1773 -0.0625 + 1602SOL HW1 4863 1.004 1.151 0.379 0.1475 -0.0952 0.2355 + 1602SOL HW2 4864 0.980 1.147 0.528 0.4576 -0.6997 0.2724 + 1603SOL OW 4865 1.719 1.342 1.104 0.4329 0.6060 0.4183 + 1603SOL HW1 4866 1.711 1.393 1.024 1.3322 0.5099 0.2477 + 1603SOL HW2 4867 1.651 1.377 1.162 0.1519 1.0666 -0.1691 + 1604SOL OW 4868 3.312 3.664 3.769 0.6683 -0.1061 -0.5214 + 1604SOL HW1 4869 3.349 3.659 3.857 -0.2955 0.1421 -0.0757 + 1604SOL HW2 4870 3.341 3.749 3.736 0.3173 0.1994 -0.0774 + 1605SOL OW 4871 1.367 3.236 3.071 -0.3607 -0.4584 -0.1619 + 1605SOL HW1 4872 1.384 3.190 2.988 -0.0612 1.0295 -1.0075 + 1605SOL HW2 4873 1.288 3.286 3.054 0.5482 1.1012 -0.1894 + 1606SOL OW 4874 3.320 2.623 3.791 0.1389 -0.2229 0.8909 + 1606SOL HW1 4875 3.268 2.543 3.795 -0.7011 0.2427 0.1197 + 1606SOL HW2 4876 3.389 2.603 3.728 0.0396 -0.4025 0.8367 + 1607SOL OW 4877 1.441 0.456 1.228 -0.3188 0.5371 0.5781 + 1607SOL HW1 4878 1.446 0.472 1.134 0.2347 -0.7637 0.3521 + 1607SOL HW2 4879 1.532 0.450 1.256 -0.3941 -1.7704 0.6337 + 1608SOL OW 4880 0.042 0.776 1.355 0.0102 0.1106 -0.1336 + 1608SOL HW1 4881 0.111 0.817 1.303 0.3924 0.2962 0.4976 + 1608SOL HW2 4882 -0.031 0.837 1.350 0.4449 0.7107 0.4864 + 1609SOL OW 4883 0.697 0.132 2.813 -0.2646 0.0321 -0.5971 + 1609SOL HW1 4884 0.650 0.208 2.778 -0.6894 0.4781 0.8374 + 1609SOL HW2 4885 0.701 0.146 2.907 -0.3256 -1.7106 -0.2560 + 1610SOL OW 4886 0.050 3.628 0.566 0.2892 0.3612 0.3981 + 1610SOL HW1 4887 -0.009 3.555 0.550 0.2222 0.6292 -0.7193 + 1610SOL HW2 4888 -0.003 3.690 0.617 0.0400 0.0504 0.5277 + 1611SOL OW 4889 3.572 0.555 1.883 -0.2217 0.1668 -0.3946 + 1611SOL HW1 4890 3.645 0.494 1.888 -0.3028 0.0795 -0.2533 + 1611SOL HW2 4891 3.605 0.629 1.833 0.2925 0.5879 0.5181 + 1612SOL OW 4892 1.254 0.640 3.564 -0.3891 -0.9440 0.5182 + 1612SOL HW1 4893 1.297 0.681 3.639 -0.2418 -0.0320 -0.0408 + 1612SOL HW2 4894 1.326 0.601 3.514 -0.2605 -0.0486 -0.0344 + 1613SOL OW 4895 1.802 3.022 2.038 -0.6898 0.4788 0.0934 + 1613SOL HW1 4896 1.874 3.085 2.038 -0.0610 -0.2072 0.1965 + 1613SOL HW2 4897 1.724 3.074 2.020 -0.0572 1.1282 -1.0005 + 1614SOL OW 4898 0.953 3.363 3.697 0.1988 0.3727 -0.2123 + 1614SOL HW1 4899 0.903 3.299 3.647 0.3523 -0.1384 0.2585 + 1614SOL HW2 4900 1.016 3.310 3.747 -0.2632 0.7843 0.8833 + 1615SOL OW 4901 2.086 0.220 2.990 0.9654 -0.2740 -0.3999 + 1615SOL HW1 4902 2.141 0.258 2.922 0.3745 -0.4164 -0.9810 + 1615SOL HW2 4903 2.083 0.286 3.059 0.4661 0.4896 -1.1132 + 1616SOL OW 4904 2.267 0.083 1.269 0.2451 -0.1904 0.7397 + 1616SOL HW1 4905 2.196 0.019 1.279 0.5905 -0.6282 0.4571 + 1616SOL HW2 4906 2.336 0.036 1.223 0.0265 0.7349 -0.6603 + 1617SOL OW 4907 2.450 3.293 0.041 -0.4874 0.3277 -0.1211 + 1617SOL HW1 4908 2.362 3.317 0.069 -0.6390 0.0207 -0.3330 + 1617SOL HW2 4909 2.437 3.223 -0.023 -0.1053 0.5057 -0.3997 + 1618SOL OW 4910 2.422 1.038 0.286 0.3882 0.0488 0.0086 + 1618SOL HW1 4911 2.336 0.997 0.281 0.2662 0.2072 0.6497 + 1618SOL HW2 4912 2.481 0.976 0.244 -0.0628 0.0279 -0.6176 + 1619SOL OW 4913 0.741 1.095 0.827 -0.2120 0.5985 -0.0903 + 1619SOL HW1 4914 0.731 1.182 0.866 0.1819 1.1035 -1.0527 + 1619SOL HW2 4915 0.691 1.099 0.745 -0.7500 -0.3166 0.1652 + 1620SOL OW 4916 1.454 2.389 2.881 -0.1279 0.7518 0.4314 + 1620SOL HW1 4917 1.533 2.442 2.879 0.6442 -0.3092 -0.5418 + 1620SOL HW2 4918 1.451 2.349 2.794 -0.8977 -0.4092 0.9423 + 1621SOL OW 4919 3.330 0.245 0.963 0.1535 -0.3016 -0.0992 + 1621SOL HW1 4920 3.311 0.151 0.960 1.3673 -0.5945 0.2424 + 1621SOL HW2 4921 3.425 0.250 0.972 0.0253 0.9187 1.4751 + 1622SOL OW 4922 2.872 1.372 0.698 -0.2965 -0.3765 -0.0110 + 1622SOL HW1 4923 2.815 1.438 0.660 0.1688 -0.1009 -0.2557 + 1622SOL HW2 4924 2.935 1.421 0.750 0.0983 -0.6123 -0.2504 + 1623SOL OW 4925 0.982 3.892 1.406 0.4047 0.4772 0.2841 + 1623SOL HW1 4926 0.914 3.827 1.388 1.0543 -0.3284 0.6356 + 1623SOL HW2 4927 1.007 3.925 1.320 -0.4254 0.8137 0.1470 + 1624SOL OW 4928 3.288 2.623 2.973 -0.0245 0.1424 -0.8133 + 1624SOL HW1 4929 3.244 2.673 3.041 -0.2328 -1.0305 -0.0321 + 1624SOL HW2 4930 3.235 2.544 2.963 0.9708 -0.5300 -1.0530 + 1625SOL OW 4931 1.207 2.004 0.823 0.0606 -0.9462 0.1545 + 1625SOL HW1 4932 1.219 1.909 0.825 -1.3999 -1.1662 0.2451 + 1625SOL HW2 4933 1.170 2.021 0.736 -0.4394 -0.5772 0.4364 + 1626SOL OW 4934 3.242 0.775 2.185 0.2189 0.4247 0.1444 + 1626SOL HW1 4935 3.256 0.868 2.168 1.2173 0.3434 0.3666 + 1626SOL HW2 4936 3.310 0.731 2.133 -0.2630 -0.1949 0.0081 + 1627SOL OW 4937 1.232 0.528 0.836 0.3280 0.1150 0.0323 + 1627SOL HW1 4938 1.170 0.586 0.880 -0.1756 -0.5783 0.2790 + 1627SOL HW2 4939 1.316 0.547 0.878 0.2076 0.7826 -0.0197 + 1628SOL OW 4940 0.109 1.254 3.396 0.0500 0.0494 0.4773 + 1628SOL HW1 4941 0.116 1.339 3.351 0.1675 -0.2093 -0.0107 + 1628SOL HW2 4942 0.016 1.248 3.419 -0.1815 -0.1418 -0.4320 + 1629SOL OW 4943 -0.017 1.862 2.853 -0.1714 -0.1829 0.5719 + 1629SOL HW1 4944 0.056 1.834 2.797 -1.6850 -0.4512 -1.5332 + 1629SOL HW2 4945 -0.011 1.957 2.855 0.1025 -0.1879 0.1888 + 1630SOL OW 4946 0.837 0.545 0.805 -0.0134 0.0035 0.7406 + 1630SOL HW1 4947 0.861 0.628 0.846 -1.3616 -0.1766 2.0967 + 1630SOL HW2 4948 0.752 0.562 0.766 0.6032 -0.2431 -0.8346 + 1631SOL OW 4949 1.911 3.479 1.978 0.2409 -1.0708 -0.5660 + 1631SOL HW1 4950 1.841 3.544 1.980 0.7068 -0.5199 0.7590 + 1631SOL HW2 4951 1.908 3.442 1.890 -0.6313 0.1022 -1.0839 + 1632SOL OW 4952 0.424 1.104 1.719 -0.4449 -0.2299 -0.1694 + 1632SOL HW1 4953 0.400 1.040 1.652 0.5975 0.2384 -1.0653 + 1632SOL HW2 4954 0.474 1.170 1.671 -1.3703 1.2252 0.7116 + 1633SOL OW 4955 3.732 0.899 3.478 0.1765 0.6342 0.1170 + 1633SOL HW1 4956 3.653 0.945 3.504 -0.2522 -0.1923 0.3478 + 1633SOL HW2 4957 3.748 0.836 3.549 -0.5268 -1.0845 -1.1134 + 1634SOL OW 4958 3.612 3.667 1.270 0.4485 0.0829 -0.2289 + 1634SOL HW1 4959 3.659 3.679 1.187 -0.8040 -1.4105 -1.2704 + 1634SOL HW2 4960 3.631 3.577 1.295 -0.4926 -0.0139 0.2155 + 1635SOL OW 4961 0.383 2.563 2.096 -0.2868 -0.2111 -0.4486 + 1635SOL HW1 4962 0.478 2.566 2.109 -0.2633 -0.8758 -0.4016 + 1635SOL HW2 4963 0.350 2.641 2.141 0.2622 0.2255 -0.7709 + 1636SOL OW 4964 0.883 0.214 3.208 0.1601 0.4147 0.5334 + 1636SOL HW1 4965 0.801 0.227 3.256 0.0247 0.9012 0.1884 + 1636SOL HW2 4966 0.942 0.173 3.272 -0.3721 -0.0113 0.7615 + 1637SOL OW 4967 0.604 3.273 0.061 -0.4609 -0.1381 0.1738 + 1637SOL HW1 4968 0.690 3.233 0.047 -0.6387 -0.8824 1.0505 + 1637SOL HW2 4969 0.624 3.365 0.081 0.0942 -0.1983 -0.0512 + 1638SOL OW 4970 2.850 0.099 4.005 -0.1686 -0.4358 0.9246 + 1638SOL HW1 4971 2.812 0.163 3.944 -0.9979 0.4582 2.2802 + 1638SOL HW2 4972 2.936 0.079 3.968 -0.1253 0.9965 0.1101 + 1639SOL OW 4973 1.908 2.347 0.527 0.1290 0.4676 -0.2367 + 1639SOL HW1 4974 1.834 2.393 0.486 -0.3099 0.7480 0.7961 + 1639SOL HW2 4975 1.874 2.320 0.612 1.2181 0.5815 0.2621 + 1640SOL OW 4976 2.001 1.887 1.134 -0.6753 -0.2822 0.1926 + 1640SOL HW1 4977 1.975 1.803 1.173 -0.1156 -0.3780 0.3698 + 1640SOL HW2 4978 1.933 1.948 1.162 -1.2217 -0.7145 -0.1314 + 1641SOL OW 4979 1.353 2.801 2.893 -0.1517 -0.5983 0.1656 + 1641SOL HW1 4980 1.315 2.742 2.958 -0.0075 -0.5402 0.3048 + 1641SOL HW2 4981 1.354 2.750 2.812 0.3745 -0.9499 0.3815 + 1642SOL OW 4982 1.087 0.211 0.595 -0.5375 0.0500 -0.0489 + 1642SOL HW1 4983 1.047 0.125 0.585 0.0382 -0.2159 -0.1218 + 1642SOL HW2 4984 1.072 0.234 0.687 -0.6334 -0.1558 -0.0124 + 1643SOL OW 4985 2.912 3.029 2.488 0.1096 -0.0840 -0.2550 + 1643SOL HW1 4986 2.895 3.121 2.508 -0.6668 0.0674 -1.4493 + 1643SOL HW2 4987 2.825 2.990 2.482 0.3696 -0.5624 -1.1758 + 1644SOL OW 4988 3.775 3.786 0.122 -0.6587 -0.2835 0.0871 + 1644SOL HW1 4989 3.701 3.847 0.118 -0.1101 0.4671 0.7387 + 1644SOL HW2 4990 3.744 3.714 0.177 -1.1802 -0.4056 -0.3494 + 1645SOL OW 4991 0.283 0.408 3.308 -0.2758 -0.1089 -0.2245 + 1645SOL HW1 4992 0.231 0.335 3.344 -0.0662 -0.2827 -0.2674 + 1645SOL HW2 4993 0.306 0.461 3.384 -0.3273 -0.1554 -0.1765 + 1646SOL OW 4994 3.105 3.384 1.875 0.4879 -0.3485 -0.2195 + 1646SOL HW1 4995 3.162 3.403 1.800 -0.2325 -1.0459 -0.9869 + 1646SOL HW2 4996 3.066 3.300 1.854 0.3400 -0.6211 1.0171 + 1647SOL OW 4997 0.922 2.179 3.970 0.5465 0.0401 0.3787 + 1647SOL HW1 4998 0.878 2.108 3.924 0.6679 0.1023 0.1589 + 1647SOL HW2 4999 0.873 2.258 3.945 0.8941 0.1352 -0.0262 + 1648SOL OW 5000 2.969 1.500 3.739 0.1133 0.1669 0.3526 + 1648SOL HW1 5001 3.053 1.538 3.767 0.1493 0.7125 -0.4481 + 1648SOL HW2 5002 2.992 1.412 3.709 0.4824 0.4393 -0.2052 + 1649SOL OW 5003 3.682 1.319 0.123 -0.0275 0.4350 0.0340 + 1649SOL HW1 5004 3.615 1.366 0.173 -0.7773 -0.3817 -0.1483 + 1649SOL HW2 5005 3.765 1.345 0.163 -0.4270 1.5933 0.1784 + 1650SOL OW 5006 3.921 2.268 3.077 0.3392 -0.0582 0.2505 + 1650SOL HW1 5007 3.933 2.338 3.141 1.7715 -0.9162 1.0193 + 1650SOL HW2 5008 3.868 2.202 3.124 -0.2108 0.0910 -0.1403 + 1651SOL OW 5009 3.853 0.408 3.524 0.0538 -0.2777 -0.3806 + 1651SOL HW1 5010 3.918 0.385 3.590 0.1389 -0.4288 -0.5162 + 1651SOL HW2 5011 3.900 0.461 3.460 -0.1419 0.2922 -0.0684 + 1652SOL OW 5012 0.773 2.609 2.925 0.0801 -0.3692 0.4674 + 1652SOL HW1 5013 0.845 2.651 2.878 -0.0929 0.4823 0.9368 + 1652SOL HW2 5014 0.694 2.647 2.886 -0.2556 -2.1733 -0.9174 + 1653SOL OW 5015 2.188 0.356 2.125 -0.0141 -0.7737 -0.4530 + 1653SOL HW1 5016 2.181 0.320 2.213 0.6950 -0.9014 -0.4355 + 1653SOL HW2 5017 2.280 0.343 2.101 -0.0020 -0.0009 -0.8937 + 1654SOL OW 5018 1.727 2.601 2.076 0.2792 -0.1916 -0.2543 + 1654SOL HW1 5019 1.668 2.642 2.139 0.3310 -0.3389 -0.1083 + 1654SOL HW2 5020 1.681 2.607 1.993 -0.3455 -1.0678 -0.0111 + 1655SOL OW 5021 3.651 3.511 2.553 -0.0623 0.2976 0.3296 + 1655SOL HW1 5022 3.710 3.496 2.479 0.1281 0.1697 0.5066 + 1655SOL HW2 5023 3.570 3.467 2.529 0.0262 0.1883 0.2304 + 1656SOL OW 5024 1.303 2.992 0.969 -0.2729 0.2136 -0.2587 + 1656SOL HW1 5025 1.299 2.931 0.896 -0.6323 0.6195 -0.5877 + 1656SOL HW2 5026 1.292 3.078 0.929 -0.3614 0.4506 0.2615 + 1657SOL OW 5027 0.739 1.506 1.162 0.3591 0.1351 -0.2073 + 1657SOL HW1 5028 0.779 1.460 1.236 -0.6918 0.5104 0.6642 + 1657SOL HW2 5029 0.718 1.438 1.099 0.5420 -0.3144 0.2068 + 1658SOL OW 5030 0.253 3.506 2.963 0.4380 -0.7083 -0.4902 + 1658SOL HW1 5031 0.219 3.549 2.885 0.4815 0.0600 -0.1049 + 1658SOL HW2 5032 0.184 3.444 2.988 -0.6989 0.7079 0.1912 + 1659SOL OW 5033 0.851 2.840 3.110 -0.5416 0.1669 -0.2615 + 1659SOL HW1 5034 0.856 2.746 3.090 -0.3853 0.1639 -0.2093 + 1659SOL HW2 5035 0.915 2.880 3.052 1.0491 0.0052 1.2080 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1885SOL OW 5711 1.650 2.202 3.527 0.4093 0.0539 0.2936 + 1885SOL HW1 5712 1.651 2.215 3.432 0.3147 0.2576 0.3197 + 1885SOL HW2 5713 1.742 2.201 3.552 0.4338 0.0266 0.2027 + 1886SOL OW 5714 0.221 2.353 2.187 -0.0335 0.3268 0.2863 + 1886SOL HW1 5715 0.136 2.333 2.148 0.4770 -1.2702 -0.1470 + 1886SOL HW2 5716 0.253 2.429 2.139 -1.0110 0.6991 0.1776 + 1887SOL OW 5717 3.186 2.696 1.675 0.3794 -0.8823 0.0554 + 1887SOL HW1 5718 3.148 2.668 1.592 0.0971 -0.6610 0.1055 + 1887SOL HW2 5719 3.263 2.641 1.686 1.4931 0.2845 -1.2359 + 1888SOL OW 5720 1.133 2.039 1.421 0.1124 -0.5883 -0.1392 + 1888SOL HW1 5721 1.045 2.021 1.387 -0.2289 0.0437 0.3601 + 1888SOL HW2 5722 1.127 2.023 1.515 0.0246 1.0089 0.1985 + 1889SOL OW 5723 1.792 0.676 0.647 0.2107 -0.1372 -0.2640 + 1889SOL HW1 5724 1.712 0.721 0.674 0.3525 -0.4568 0.7863 + 1889SOL HW2 5725 1.774 0.646 0.557 -0.7515 0.0131 -0.1384 + 1890SOL OW 5726 1.850 0.915 3.241 -0.8994 -0.1510 -0.4001 + 1890SOL HW1 5727 1.805 0.856 3.181 0.2209 -0.7676 -0.6831 + 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0.4581 + 1896SOL HW1 5745 3.467 1.028 0.334 -0.2064 0.1844 0.3680 + 1896SOL HW2 5746 3.568 1.086 0.238 0.1813 -0.9555 0.0523 + 1897SOL OW 5747 0.676 3.064 0.802 0.5393 -0.4859 0.2492 + 1897SOL HW1 5748 0.654 2.971 0.795 -0.6195 -0.2839 0.6330 + 1897SOL HW2 5749 0.682 3.094 0.712 -0.8914 -0.6002 0.0594 + 1898SOL OW 5750 1.315 0.884 1.238 -0.1564 -0.1466 0.6843 + 1898SOL HW1 5751 1.224 0.856 1.246 -0.1076 -0.2620 0.8515 + 1898SOL HW2 5752 1.364 0.818 1.286 0.0331 -0.1779 0.4488 + 1899SOL OW 5753 3.583 0.780 2.182 -0.2187 0.0638 -0.2738 + 1899SOL HW1 5754 3.678 0.766 2.173 -0.2386 0.1365 -0.6323 + 1899SOL HW2 5755 3.569 0.790 2.276 0.0596 -0.4392 -0.1730 + 1900SOL OW 5756 3.819 1.522 3.898 -0.0831 0.1746 0.1479 + 1900SOL HW1 5757 3.826 1.561 3.985 -0.4970 0.0185 0.2608 + 1900SOL HW2 5758 3.909 1.516 3.866 0.0060 1.0770 0.1780 + 1901SOL OW 5759 0.200 0.662 1.029 -0.2396 0.1931 0.1104 + 1901SOL HW1 5760 0.284 0.629 0.998 -0.1890 0.2539 0.1820 + 1901SOL HW2 5761 0.139 0.589 1.018 -0.1430 0.0989 0.2048 + 1902SOL OW 5762 0.437 3.628 1.895 -0.0700 0.2155 -0.1760 + 1902SOL HW1 5763 0.381 3.588 1.962 -0.2471 0.7068 -0.0235 + 1902SOL HW2 5764 0.473 3.706 1.937 0.1993 0.2682 -0.4968 + 1903SOL OW 5765 1.041 3.608 3.579 0.2142 -0.8483 -0.5513 + 1903SOL HW1 5766 1.030 3.525 3.625 0.2418 -0.5437 0.0107 + 1903SOL HW2 5767 1.134 3.610 3.555 0.3165 -0.7654 -0.1505 + 1904SOL OW 5768 0.039 0.647 3.622 -0.0012 -0.5618 -0.5231 + 1904SOL HW1 5769 0.052 0.640 3.528 0.7681 0.2707 -0.5101 + 1904SOL HW2 5770 0.086 0.572 3.659 -0.3882 -0.9472 -0.7930 + 1905SOL OW 5771 1.514 3.958 2.574 0.3677 0.6418 0.2035 + 1905SOL HW1 5772 1.548 3.955 2.663 -0.2710 0.2338 0.4407 + 1905SOL HW2 5773 1.581 4.008 2.525 0.8658 0.6193 0.8331 + 1906SOL OW 5774 0.772 0.386 1.063 -0.2254 0.1668 -0.6769 + 1906SOL HW1 5775 0.678 0.385 1.080 -0.1173 0.2578 -0.0130 + 1906SOL HW2 5776 0.781 0.432 0.979 -0.7387 0.7233 -0.4419 + 1907SOL OW 5777 2.363 1.727 2.284 -0.3873 0.3722 -0.1935 + 1907SOL HW1 5778 2.336 1.782 2.358 -0.0708 0.1775 0.0718 + 1907SOL HW2 5779 2.282 1.692 2.249 -0.5107 0.0707 0.3723 + 1908SOL OW 5780 2.739 3.588 2.509 -0.8705 -0.3716 0.1820 + 1908SOL HW1 5781 2.643 3.580 2.514 -0.8650 -0.5292 0.0610 + 1908SOL HW2 5782 2.765 3.517 2.450 -0.5330 -1.3333 1.3901 + 1909SOL OW 5783 0.300 3.345 0.163 0.2728 -0.7704 -0.3537 + 1909SOL HW1 5784 0.322 3.401 0.088 -0.3340 0.0701 0.0528 + 1909SOL HW2 5785 0.300 3.256 0.128 -1.9919 -0.3224 -1.9449 + 1910SOL OW 5786 0.352 2.423 1.846 0.0623 0.2227 -0.1023 + 1910SOL HW1 5787 0.341 2.486 1.918 -0.4972 -0.2896 0.2766 + 1910SOL HW2 5788 0.447 2.408 1.842 0.0700 -0.0570 0.8098 + 1911SOL OW 5789 2.874 0.361 2.777 0.4300 -0.1571 -0.3548 + 1911SOL HW1 5790 2.860 0.293 2.710 -1.5421 0.5349 -0.7890 + 1911SOL HW2 5791 2.831 0.326 2.855 1.2997 -0.2650 0.0983 + 1912SOL OW 5792 3.361 2.322 2.850 -0.4199 -0.2669 0.2302 + 1912SOL HW1 5793 3.280 2.374 2.846 0.0035 0.4313 0.3088 + 1912SOL HW2 5794 3.415 2.357 2.779 -0.0074 -0.3967 0.4770 + 1913SOL OW 5795 0.907 1.588 1.706 -0.0552 -0.5581 0.5487 + 1913SOL HW1 5796 0.999 1.569 1.727 0.5368 -1.0248 -1.9200 + 1913SOL HW2 5797 0.875 1.506 1.668 -1.0388 0.0477 0.0283 + 1914SOL OW 5798 0.943 3.303 3.103 0.1325 -0.7081 -0.0348 + 1914SOL HW1 5799 0.886 3.321 3.029 -0.7788 0.7482 0.8954 + 1914SOL HW2 5800 1.031 3.321 3.071 -0.2508 0.0021 -0.7564 + 1915SOL OW 5801 0.874 3.781 3.037 -0.3850 -0.6342 -0.2243 + 1915SOL HW1 5802 0.872 3.695 3.078 1.0415 -0.3980 0.4821 + 1915SOL HW2 5803 0.819 3.836 3.092 -0.2528 -0.8106 0.0851 + 1916SOL OW 5804 2.854 1.834 1.027 -0.2071 0.7265 -0.2812 + 1916SOL HW1 5805 2.887 1.859 0.940 0.1348 -0.4791 -0.5394 + 1916SOL HW2 5806 2.907 1.758 1.051 -0.9227 0.4694 0.5722 + 1917SOL OW 5807 1.415 2.484 1.649 -0.5841 -0.3239 -0.1442 + 1917SOL HW1 5808 1.433 2.390 1.648 -0.4638 -0.3015 -0.1800 + 1917SOL HW2 5809 1.358 2.499 1.573 0.7652 -0.1123 -1.1874 + 1918SOL OW 5810 3.555 0.080 2.058 -0.1031 0.0577 0.0960 + 1918SOL HW1 5811 3.563 0.011 2.124 0.7323 -0.0691 -0.1084 + 1918SOL HW2 5812 3.492 0.141 2.094 -1.5547 -1.2157 -0.0837 + 1919SOL OW 5813 2.086 2.123 3.262 -0.0369 0.0409 0.4369 + 1919SOL HW1 5814 2.081 2.073 3.344 -0.8664 -0.7476 -0.0447 + 1919SOL HW2 5815 2.114 2.058 3.197 1.3088 0.8097 0.1745 + 1920SOL OW 5816 3.617 1.998 1.029 0.1258 1.0804 0.1878 + 1920SOL HW1 5817 3.710 1.998 1.052 0.0494 -0.6542 0.7636 + 1920SOL HW2 5818 3.571 1.987 1.112 -0.4902 0.4650 -0.2109 + 1921SOL OW 5819 1.041 2.559 1.377 -0.1108 -0.4910 -0.1698 + 1921SOL HW1 5820 1.105 2.531 1.312 0.8636 0.7516 0.1635 + 1921SOL HW2 5821 0.961 2.575 1.328 0.5339 0.2013 -1.0602 + 1922SOL OW 5822 0.643 0.060 2.244 -0.8255 -0.7621 -0.0145 + 1922SOL HW1 5823 0.577 0.035 2.179 -0.4655 -0.2492 -0.6118 + 1922SOL HW2 5824 0.718 0.088 2.191 -0.5974 -0.1056 0.6167 + 1923SOL OW 5825 0.457 0.592 2.018 0.0819 0.1265 0.0576 + 1923SOL HW1 5826 0.424 0.616 1.931 -0.7295 -0.1358 0.2773 + 1923SOL HW2 5827 0.384 0.608 2.077 0.2237 -0.7949 0.5244 + 1924SOL OW 5828 1.074 1.373 3.951 -0.5517 0.2870 0.2913 + 1924SOL HW1 5829 0.982 1.345 3.947 -0.4984 0.1798 -0.2239 + 1924SOL HW2 5830 1.123 1.300 3.913 -0.3608 0.8284 -0.5467 + 1925SOL OW 5831 3.167 2.382 1.555 -0.6725 -0.0876 0.2709 + 1925SOL HW1 5832 3.157 2.467 1.513 0.1182 0.1199 0.4761 + 1925SOL HW2 5833 3.210 2.401 1.638 -0.3489 -0.7018 0.2535 + 1926SOL OW 5834 1.878 0.308 2.290 -0.2333 0.5839 0.9076 + 1926SOL HW1 5835 1.936 0.239 2.257 -1.2989 -0.1927 0.5162 + 1926SOL HW2 5836 1.885 0.302 2.385 0.4156 0.5969 0.8644 + 1927SOL OW 5837 2.843 0.067 2.912 -0.1343 0.0251 0.0807 + 1927SOL HW1 5838 2.858 0.059 2.818 -0.0760 0.0989 0.0837 + 1927SOL HW2 5839 2.904 0.004 2.951 -0.6162 -0.4863 0.0397 + 1928SOL OW 5840 0.623 2.433 1.875 0.2498 0.3382 0.2953 + 1928SOL HW1 5841 0.650 2.343 1.857 0.5316 0.2296 1.1663 + 1928SOL HW2 5842 0.698 2.473 1.918 -0.4752 0.3929 1.6487 + 1929SOL OW 5843 1.828 1.097 1.540 -0.0089 0.0191 -0.0795 + 1929SOL HW1 5844 1.923 1.093 1.533 0.0670 0.5201 0.4393 + 1929SOL HW2 5845 1.798 1.113 1.451 0.4083 0.0123 -0.2259 + 1930SOL OW 5846 2.010 3.327 2.457 0.0465 -0.2711 0.0868 + 1930SOL HW1 5847 1.924 3.311 2.497 0.0199 -0.1519 0.0767 + 1930SOL HW2 5848 2.052 3.241 2.457 0.3243 -0.1523 1.0131 + 1931SOL OW 5849 1.143 0.657 0.498 -0.4979 0.0785 0.1532 + 1931SOL HW1 5850 1.237 0.665 0.479 -0.4119 -0.5150 0.2811 + 1931SOL HW2 5851 1.123 0.734 0.551 -0.3426 0.8014 -0.7788 + 1932SOL OW 5852 1.775 0.346 3.450 -0.0646 0.0748 -0.0749 + 1932SOL HW1 5853 1.870 0.357 3.452 -0.0820 0.1604 0.4901 + 1932SOL HW2 5854 1.750 0.329 3.541 -0.5350 -0.4294 -0.2830 + 1933SOL OW 5855 3.834 3.647 1.876 0.2374 -0.0977 0.3884 + 1933SOL HW1 5856 3.892 3.653 1.800 -0.2463 -0.8617 -0.0666 + 1933SOL HW2 5857 3.822 3.738 1.904 1.0263 0.1378 0.0279 + 1934SOL OW 5858 3.214 3.974 2.635 0.0052 -0.1710 -0.0733 + 1934SOL HW1 5859 3.228 3.912 2.706 -1.0446 -0.1443 0.1881 + 1934SOL HW2 5860 3.302 4.004 2.612 0.3989 -0.3313 1.0768 + 1935SOL OW 5861 1.259 3.597 3.881 0.5298 0.6802 0.6657 + 1935SOL HW1 5862 1.308 3.662 3.831 -1.0653 0.8415 -0.8737 + 1935SOL HW2 5863 1.289 3.513 3.846 -0.2909 0.7804 -0.3369 + 1936SOL OW 5864 2.178 1.910 2.016 0.0654 -0.3764 0.5738 + 1936SOL HW1 5865 2.115 1.842 2.039 -0.1411 0.1989 1.8502 + 1936SOL HW2 5866 2.124 1.984 1.990 0.2844 -0.5301 -0.3988 + 1937SOL OW 5867 3.465 0.947 2.640 0.2565 -0.0875 -0.6161 + 1937SOL HW1 5868 3.533 0.986 2.696 -0.0616 1.2820 -1.0913 + 1937SOL HW2 5869 3.391 0.931 2.699 0.4938 -0.2452 -0.3559 + 1938SOL OW 5870 0.184 1.237 1.061 -0.3060 0.2876 -0.4334 + 1938SOL HW1 5871 0.178 1.266 1.152 -1.0215 0.5713 -0.5600 + 1938SOL HW2 5872 0.270 1.266 1.032 0.1071 -0.1725 0.2680 + 1939SOL OW 5873 0.948 0.339 0.199 -0.5283 0.3823 -0.2128 + 1939SOL HW1 5874 0.951 0.434 0.206 0.0489 0.4231 -0.7852 + 1939SOL HW2 5875 0.943 0.322 0.105 -0.4548 -0.1539 -0.1255 + 1940SOL OW 5876 0.800 1.073 3.118 0.2200 -0.4016 0.3998 + 1940SOL HW1 5877 0.843 1.009 3.061 -0.1231 0.3024 -0.7079 + 1940SOL HW2 5878 0.708 1.046 3.119 0.2994 -0.7012 1.0754 + 1941SOL OW 5879 3.803 0.170 3.879 -0.5702 0.7099 -0.5080 + 1941SOL HW1 5880 3.818 0.084 3.839 -0.6255 0.2235 0.4626 + 1941SOL HW2 5881 3.711 0.189 3.860 -0.9659 -0.1150 0.4296 + 1942SOL OW 5882 2.151 0.607 2.052 0.0973 -0.2653 -0.0563 + 1942SOL HW1 5883 2.156 0.608 1.957 -0.6844 -0.0378 -0.1102 + 1942SOL HW2 5884 2.160 0.515 2.076 -0.3662 -0.4091 -0.4025 + 1943SOL OW 5885 0.523 1.771 0.315 -0.1175 0.0151 -0.3803 + 1943SOL HW1 5886 0.586 1.717 0.267 -0.1159 0.1775 -0.5615 + 1943SOL HW2 5887 0.452 1.786 0.253 -0.0321 0.3759 -0.3938 + 1944SOL OW 5888 0.149 2.983 0.672 0.1242 -0.1899 -0.2361 + 1944SOL HW1 5889 0.103 3.015 0.595 0.2240 -0.5345 -0.4466 + 1944SOL HW2 5890 0.085 2.928 0.717 0.2388 -0.4532 -0.3865 + 1945SOL OW 5891 2.015 3.795 3.234 0.0370 0.4509 0.3138 + 1945SOL HW1 5892 1.923 3.823 3.237 -0.2251 -0.3571 0.4952 + 1945SOL HW2 5893 2.059 3.863 3.184 -0.5019 1.2685 0.8882 + 1946SOL OW 5894 2.922 0.859 1.677 -0.3300 0.1384 0.1985 + 1946SOL HW1 5895 2.942 0.947 1.645 -0.8554 -0.2036 -1.2576 + 1946SOL HW2 5896 2.999 0.807 1.653 -0.8218 -0.1698 -0.8632 + 1947SOL OW 5897 1.859 1.748 3.662 0.8912 -0.2720 0.3642 + 1947SOL HW1 5898 1.905 1.671 3.695 -0.0138 -0.7229 0.6360 + 1947SOL HW2 5899 1.881 1.818 3.724 0.0370 -0.8549 1.3899 + 1948SOL OW 5900 1.569 3.058 3.855 -0.2784 0.3651 0.2591 + 1948SOL HW1 5901 1.511 3.016 3.792 -1.0349 0.3308 0.9503 + 1948SOL HW2 5902 1.640 3.095 3.802 -0.7841 0.1694 -0.5799 + 1949SOL OW 5903 0.424 1.929 3.662 0.2372 -0.1442 0.2411 + 1949SOL HW1 5904 0.507 1.970 3.639 -0.0345 0.0130 -0.5258 + 1949SOL HW2 5905 0.425 1.923 3.757 0.5714 1.0549 0.3389 + 1950SOL OW 5906 1.032 0.165 2.832 0.0653 -0.4689 -0.3309 + 1950SOL HW1 5907 1.048 0.085 2.884 -0.1698 -0.2180 0.1413 + 1950SOL HW2 5908 0.961 0.141 2.772 -1.6026 -0.0322 1.2889 + 1951SOL OW 5909 2.842 1.852 2.577 0.6369 -0.1503 -0.0365 + 1951SOL HW1 5910 2.868 1.812 2.494 0.8444 -0.2007 0.0497 + 1951SOL HW2 5911 2.908 1.821 2.639 0.2801 -0.3989 0.2235 + 1952SOL OW 5912 3.099 1.271 3.674 0.0172 -0.0609 0.2995 + 1952SOL HW1 5913 3.102 1.201 3.739 0.7437 -0.2825 0.0430 + 1952SOL HW2 5914 3.036 1.240 3.609 -0.0139 -0.2610 0.4235 + 1953SOL OW 5915 3.052 2.243 3.163 0.3862 0.2626 -0.4683 + 1953SOL HW1 5916 3.060 2.148 3.168 0.6003 0.2716 -0.5762 + 1953SOL HW2 5917 2.959 2.259 3.151 0.1697 0.1306 0.7889 + 1954SOL OW 5918 3.059 2.827 4.015 0.4327 0.2233 0.1910 + 1954SOL HW1 5919 3.010 2.752 3.981 -0.6096 0.6749 0.5962 + 1954SOL HW2 5920 3.072 2.883 3.938 0.5391 -0.0128 0.0336 + 1955SOL OW 5921 2.743 0.379 0.450 -0.1612 0.2527 -0.3142 + 1955SOL HW1 5922 2.725 0.357 0.359 -1.7018 -0.0300 0.0021 + 1955SOL HW2 5923 2.741 0.295 0.496 -0.3600 0.4826 0.1094 + 1956SOL OW 5924 1.352 3.081 2.849 -0.1975 -0.2935 0.0980 + 1956SOL HW1 5925 1.292 3.100 2.776 -0.0676 -0.8031 -0.1512 + 1956SOL HW2 5926 1.339 2.988 2.866 0.4592 -0.3891 0.1007 + 1957SOL OW 5927 1.658 3.892 2.802 0.2021 -0.7649 -0.1552 + 1957SOL HW1 5928 1.641 3.949 2.877 -0.3956 -0.4250 -0.5259 + 1957SOL HW2 5929 1.753 3.892 2.792 0.2224 0.4050 -0.2987 + 1958SOL OW 5930 2.516 2.181 1.279 0.0533 -0.0739 -0.4283 + 1958SOL HW1 5931 2.599 2.152 1.242 0.0729 0.6321 -0.9710 + 1958SOL HW2 5932 2.534 2.268 1.314 -0.5803 0.3288 -1.0607 + 1959SOL OW 5933 0.791 0.481 2.277 -0.1354 0.1848 0.0749 + 1959SOL HW1 5934 0.865 0.507 2.333 0.5656 -0.5253 -0.4705 + 1959SOL HW2 5935 0.773 0.557 2.223 0.7498 0.1222 -0.3349 + 1960SOL OW 5936 0.328 1.401 2.573 -0.1713 0.8642 0.6000 + 1960SOL HW1 5937 0.297 1.466 2.636 -1.2474 0.1205 0.9082 + 1960SOL HW2 5938 0.275 1.323 2.592 1.0383 -0.1049 0.2361 + 1961SOL OW 5939 0.501 1.758 0.766 -0.4157 -0.0421 0.4078 + 1961SOL HW1 5940 0.503 1.685 0.704 0.4498 0.4762 -0.2264 + 1961SOL HW2 5941 0.582 1.748 0.816 -0.4287 0.3180 0.5016 + 1962SOL OW 5942 2.457 2.891 1.097 0.4983 -0.2174 -0.7596 + 1962SOL HW1 5943 2.429 2.953 1.164 0.6288 -1.0396 0.0882 + 1962SOL HW2 5944 2.487 2.947 1.024 -0.8931 0.6988 -0.7002 + 1963SOL OW 5945 0.663 2.247 3.148 -0.7503 -0.0925 -0.6592 + 1963SOL HW1 5946 0.659 2.153 3.128 0.4907 -0.1512 -0.7498 + 1963SOL HW2 5947 0.724 2.283 3.084 -0.1673 0.5294 0.1988 + 1964SOL OW 5948 1.183 2.286 1.892 0.1861 -0.0355 -0.4332 + 1964SOL HW1 5949 1.241 2.210 1.892 0.7458 0.3606 0.1825 + 1964SOL HW2 5950 1.159 2.298 1.984 -0.5310 0.0695 -0.6238 + 1965SOL OW 5951 3.696 0.953 0.452 0.1613 -0.1869 0.4988 + 1965SOL HW1 5952 3.678 0.991 0.538 -0.2041 0.0931 0.3078 + 1965SOL HW2 5953 3.613 0.913 0.426 -0.0104 0.5081 -0.0989 + 1966SOL OW 5954 2.189 3.340 1.614 0.0574 -0.3364 -0.2158 + 1966SOL HW1 5955 2.212 3.251 1.640 -0.2615 -0.3107 0.1795 + 1966SOL HW2 5956 2.174 3.334 1.520 -0.0983 -0.7330 -0.1708 + 1967SOL OW 5957 3.366 1.357 3.619 0.2300 -0.1638 0.1957 + 1967SOL HW1 5958 3.400 1.283 3.670 -0.1549 -0.7940 -0.4255 + 1967SOL HW2 5959 3.271 1.347 3.623 0.1831 0.0523 -0.2297 + 1968SOL OW 5960 3.378 2.343 2.248 0.2482 0.3000 0.4486 + 1968SOL HW1 5961 3.447 2.409 2.247 -0.1699 0.7729 1.2273 + 1968SOL HW2 5962 3.422 2.264 2.280 0.6376 0.3215 -0.0096 + 1969SOL OW 5963 2.098 0.493 2.664 -0.0899 -0.1800 0.3931 + 1969SOL HW1 5964 2.007 0.525 2.669 -0.1456 -0.2852 0.0699 + 1969SOL HW2 5965 2.112 0.451 2.749 -0.5154 -0.6107 0.2591 + 1970SOL OW 5966 3.266 1.191 0.945 -1.0185 -0.2743 0.0675 + 1970SOL HW1 5967 3.180 1.233 0.951 -0.7638 0.4207 -0.7596 + 1970SOL HW2 5968 3.328 1.262 0.957 -0.5673 -0.3427 -1.4851 + 1971SOL OW 5969 1.712 0.758 0.121 0.1150 -0.2291 -0.5519 + 1971SOL HW1 5970 1.765 0.823 0.074 0.0264 -0.2285 -0.6501 + 1971SOL HW2 5971 1.623 0.773 0.092 -0.0151 0.0807 -0.0329 + 1972SOL OW 5972 0.481 2.620 3.307 0.1158 0.1905 0.2846 + 1972SOL HW1 5973 0.415 2.556 3.283 -0.7534 0.9054 0.6703 + 1972SOL HW2 5974 0.541 2.572 3.365 0.3955 -0.6635 -0.6563 + 1973SOL OW 5975 0.705 3.068 3.097 -0.2361 0.6465 0.1293 + 1973SOL HW1 5976 0.778 3.120 3.131 -0.3849 0.6972 0.3747 + 1973SOL HW2 5977 0.736 2.977 3.102 0.1540 0.7287 -0.6166 + 1974SOL OW 5978 2.533 0.778 2.006 -0.5551 0.3128 -0.4594 + 1974SOL HW1 5979 2.546 0.683 2.009 -0.0664 0.3848 -0.1634 + 1974SOL HW2 5980 2.614 0.813 1.971 -0.7316 0.6248 -0.5616 + 1975SOL OW 5981 3.998 3.711 3.359 -0.5180 -0.0055 -0.5381 + 1975SOL HW1 5982 3.964 3.705 3.448 0.3743 1.9747 0.0379 + 1975SOL HW2 5983 3.936 3.768 3.313 -0.8885 -0.8852 -1.1909 + 1976SOL OW 5984 1.376 1.762 2.395 -0.6187 0.2721 -0.5190 + 1976SOL HW1 5985 1.381 1.715 2.311 -0.7722 0.1594 -0.4661 + 1976SOL HW2 5986 1.450 1.822 2.393 -0.0316 -0.4180 -0.3181 + 1977SOL OW 5987 1.959 0.087 0.003 -0.1928 -0.9205 -0.1797 + 1977SOL HW1 5988 1.879 0.045 -0.030 -0.0422 -1.3305 -0.0334 + 1977SOL HW2 5989 1.962 0.063 0.096 -0.0997 -0.5820 -0.0905 + 1978SOL OW 5990 1.227 1.283 1.884 0.3601 -0.8214 -0.2228 + 1978SOL HW1 5991 1.148 1.252 1.929 0.9487 -0.8556 0.8352 + 1978SOL HW2 5992 1.272 1.203 1.856 0.5901 -0.8485 0.2112 + 1979SOL OW 5993 2.835 2.949 1.906 0.0033 0.1125 0.0427 + 1979SOL HW1 5994 2.864 2.874 1.853 -1.0702 -0.0773 -0.3248 + 1979SOL HW2 5995 2.871 3.025 1.860 0.2446 -0.1174 -0.1611 + 1980SOL OW 5996 1.359 1.674 2.110 -0.2965 0.0788 0.4423 + 1980SOL HW1 5997 1.365 1.749 2.051 -2.4316 -0.1951 -0.3100 + 1980SOL HW2 5998 1.353 1.598 2.052 0.5151 -0.5605 1.1481 + 1981SOL OW 5999 0.740 2.525 3.436 -0.0378 0.2196 -0.6287 + 1981SOL HW1 6000 0.803 2.496 3.502 -0.3744 -1.4437 -0.9480 + 1981SOL HW2 6001 0.776 2.607 3.403 0.5220 0.7444 1.0586 + 1982SOL OW 6002 2.331 2.305 3.314 -0.4748 -0.4887 -0.0381 + 1982SOL HW1 6003 2.268 2.243 3.276 -0.4567 -0.3786 -0.2513 + 1982SOL HW2 6004 2.282 2.350 3.383 -0.4458 -0.8391 0.2126 + 1983SOL OW 6005 0.231 2.492 2.769 0.4663 0.5118 0.4346 + 1983SOL HW1 6006 0.147 2.539 2.773 -0.6296 -1.2637 0.1977 + 1983SOL HW2 6007 0.241 2.454 2.856 0.4667 -0.1367 0.1613 + 1984SOL OW 6008 0.541 1.337 2.411 0.1624 -0.1971 -0.1166 + 1984SOL HW1 6009 0.463 1.348 2.466 0.2577 0.0379 -0.0249 + 1984SOL HW2 6010 0.577 1.252 2.437 -0.2233 -0.4413 -0.3655 + 1985SOL OW 6011 1.224 3.273 1.867 0.0315 0.1750 -0.1785 + 1985SOL HW1 6012 1.171 3.299 1.943 -0.0591 -0.7868 0.1160 + 1985SOL HW2 6013 1.314 3.294 1.892 -0.0649 0.4626 -0.0723 + 1986SOL OW 6014 1.422 2.056 1.012 0.5490 0.1963 0.1929 + 1986SOL HW1 6015 1.404 2.026 1.101 0.3214 0.0920 0.1119 + 1986SOL HW2 6016 1.344 2.032 0.961 0.9779 -0.4295 -0.2028 + 1987SOL OW 6017 3.546 2.443 1.576 0.3669 -0.2417 -0.5521 + 1987SOL HW1 6018 3.640 2.441 1.560 0.5498 -0.2654 0.4454 + 1987SOL HW2 6019 3.515 2.358 1.544 0.7825 -0.4787 -0.3432 + 1988SOL OW 6020 2.905 0.414 3.564 -0.5443 -0.5738 -0.0360 + 1988SOL HW1 6021 2.928 0.507 3.558 -0.6881 -0.4636 0.8232 + 1988SOL HW2 6022 2.818 0.408 3.526 -1.0596 -0.1084 0.9805 + 1989SOL OW 6023 2.102 1.945 0.866 0.0909 0.0014 0.1490 + 1989SOL HW1 6024 2.115 1.851 0.851 -0.2241 -0.2873 1.4071 + 1989SOL HW2 6025 2.068 1.950 0.955 0.3287 1.3419 0.2041 + 1990SOL OW 6026 1.681 1.035 1.009 -0.1102 -0.0439 -0.7126 + 1990SOL HW1 6027 1.648 1.113 1.053 -1.0704 -0.6500 -0.3046 + 1990SOL HW2 6028 1.776 1.045 1.011 -0.1361 0.3598 0.7733 + 1991SOL OW 6029 1.866 1.457 1.620 0.0066 0.6990 -0.5222 + 1991SOL HW1 6030 1.909 1.390 1.567 0.2339 0.8373 -0.5164 + 1991SOL HW2 6031 1.934 1.490 1.678 -0.3420 0.2443 0.1772 + 1992SOL OW 6032 1.166 2.754 3.114 0.1347 -0.1028 -0.1834 + 1992SOL HW1 6033 1.123 2.669 3.120 -0.0543 0.0371 0.7694 + 1992SOL HW2 6034 1.198 2.771 3.203 1.3586 0.2244 -0.6420 + 1993SOL OW 6035 0.011 0.822 0.928 0.6828 -0.8854 0.4470 + 1993SOL HW1 6036 0.063 0.753 0.970 0.0496 -0.7018 1.6294 + 1993SOL HW2 6037 -0.010 0.883 0.999 1.0141 0.4275 -0.5093 + 1994SOL OW 6038 0.114 3.106 2.608 0.6177 -0.0781 -0.1305 + 1994SOL HW1 6039 0.099 3.169 2.678 0.4300 -0.7247 0.4254 + 1994SOL HW2 6040 0.053 3.133 2.538 0.1026 -0.0037 0.3353 + 1995SOL OW 6041 0.225 1.824 2.715 -0.1188 0.0352 0.8212 + 1995SOL HW1 6042 0.237 1.841 2.621 -0.2542 -1.7133 0.4085 + 1995SOL HW2 6043 0.280 1.889 2.759 -0.4202 1.2275 -0.4243 + 1996SOL OW 6044 1.067 3.897 2.115 0.0332 -0.0403 -0.3457 + 1996SOL HW1 6045 1.125 3.902 2.039 0.3261 0.9387 -0.0872 + 1996SOL HW2 6046 1.069 3.804 2.140 0.7647 -0.1945 -0.8893 + 1997SOL OW 6047 2.990 2.662 2.045 1.2165 0.2937 -0.4141 + 1997SOL HW1 6048 3.069 2.712 2.063 0.9805 0.5198 0.0207 + 1997SOL HW2 6049 2.963 2.690 1.957 0.7551 1.3951 0.0555 + 1998SOL OW 6050 1.207 1.677 3.271 -0.2285 -0.0876 0.0753 + 1998SOL HW1 6051 1.138 1.615 3.247 -0.6131 0.4070 -0.1182 + 1998SOL HW2 6052 1.199 1.749 3.209 1.0571 -0.4173 -0.5519 + 1999SOL OW 6053 1.129 1.608 2.264 0.2303 0.2282 -0.0345 + 1999SOL HW1 6054 1.095 1.528 2.226 0.5657 -0.0807 0.3022 + 1999SOL HW2 6055 1.205 1.630 2.210 -0.1567 0.6127 -0.4438 + 2000SOL OW 6056 1.265 0.094 2.536 0.5031 -0.3486 -0.2918 + 2000SOL HW1 6057 1.211 0.044 2.597 0.5144 0.6495 0.6120 + 2000SOL HW2 6058 1.339 0.037 2.516 0.0880 -1.0071 0.0057 + 2001SOL OW 6059 3.093 0.913 2.584 -0.5440 -0.1161 -0.0730 + 2001SOL HW1 6060 3.002 0.899 2.612 -0.4093 -0.7233 0.0848 + 2001SOL HW2 6061 3.120 0.830 2.546 0.2626 -0.2832 0.7859 + 2002SOL OW 6062 1.273 3.683 0.203 -0.2152 -0.1544 0.4804 + 2002SOL HW1 6063 1.245 3.638 0.123 -0.0635 -0.1720 0.4365 + 2002SOL HW2 6064 1.196 3.733 0.231 0.1655 1.0978 -0.5211 + 2003SOL OW 6065 0.452 2.115 1.028 -0.0609 0.3557 -0.2098 + 2003SOL HW1 6066 0.357 2.112 1.040 -0.0876 -0.1574 -0.4740 + 2003SOL HW2 6067 0.476 2.205 1.049 -0.5153 0.3244 0.5077 + 2004SOL OW 6068 3.803 2.648 2.294 0.0627 0.0631 0.5717 + 2004SOL HW1 6069 3.830 2.705 2.223 0.6330 0.1769 0.8669 + 2004SOL HW2 6070 3.805 2.704 2.372 -1.1114 0.0943 0.6152 + 2005SOL OW 6071 1.973 1.472 2.974 -0.1045 -0.5239 -0.0497 + 2005SOL HW1 6072 1.890 1.442 2.938 -0.4745 -0.0253 0.3622 + 2005SOL HW2 6073 1.949 1.530 3.046 0.5645 0.5752 -0.6461 + 2006SOL OW 6074 1.115 2.599 3.781 0.2351 0.0114 -0.1622 + 2006SOL HW1 6075 1.113 2.603 3.877 1.1609 1.2672 -0.1418 + 2006SOL HW2 6076 1.104 2.690 3.753 -0.4752 -0.3778 -1.2919 + 2007SOL OW 6077 2.501 2.791 1.767 0.2091 -0.1368 0.7689 + 2007SOL HW1 6078 2.528 2.713 1.719 -1.5746 0.0333 -0.6944 + 2007SOL HW2 6079 2.519 2.864 1.708 -1.5199 0.1401 0.4763 + 2008SOL OW 6080 0.532 3.062 3.387 0.8357 0.0247 -0.2053 + 2008SOL HW1 6081 0.475 3.035 3.459 0.7210 0.6350 -0.0560 + 2008SOL HW2 6082 0.511 3.001 3.316 0.6309 -0.3091 0.1351 + 2009SOL OW 6083 0.103 1.676 2.149 0.6440 -0.4233 -0.1165 + 2009SOL HW1 6084 0.022 1.627 2.132 0.2266 0.2673 -0.1645 + 2009SOL HW2 6085 0.137 1.638 2.230 -0.3946 0.0976 0.6057 + 2010SOL OW 6086 0.279 3.936 0.645 -0.1486 -0.1039 -0.1196 + 2010SOL HW1 6087 0.272 3.842 0.656 -0.3793 -0.1434 -0.5841 + 2010SOL HW2 6088 0.323 3.948 0.561 -0.1008 0.2022 -0.0552 + 2011SOL OW 6089 3.707 2.524 1.282 -0.5600 0.0573 0.4772 + 2011SOL HW1 6090 3.759 2.449 1.254 -0.8088 0.4101 -1.1581 + 2011SOL HW2 6091 3.624 2.516 1.235 -0.4445 1.5241 -0.1083 + 2012SOL OW 6092 3.555 1.887 0.521 -0.0816 -0.0580 0.1036 + 2012SOL HW1 6093 3.515 1.882 0.607 -0.4300 0.8452 0.0201 + 2012SOL HW2 6094 3.624 1.953 0.530 -0.1260 0.0554 -0.3066 + 2013SOL OW 6095 0.597 0.872 3.152 0.1696 0.4576 0.2036 + 2013SOL HW1 6096 0.635 0.784 3.161 -0.3483 0.1666 -0.2753 + 2013SOL HW2 6097 0.576 0.898 3.242 0.3717 0.1060 0.3587 + 2014SOL OW 6098 3.095 2.248 0.611 0.4684 0.6620 0.3580 + 2014SOL HW1 6099 3.156 2.320 0.596 1.2413 0.0886 0.6121 + 2014SOL HW2 6100 3.009 2.284 0.587 0.8560 1.5817 0.2529 + 2015SOL OW 6101 2.714 1.793 1.237 -0.6352 -0.0375 0.6280 + 2015SOL HW1 6102 2.744 1.818 1.150 -1.8456 -0.5330 0.0104 + 2015SOL HW2 6103 2.773 1.838 1.297 0.4192 0.1038 -0.4378 + 2016SOL OW 6104 3.658 2.113 2.640 0.2643 0.2380 -0.1658 + 2016SOL HW1 6105 3.656 2.204 2.670 -0.1173 -0.1800 1.2117 + 2016SOL HW2 6106 3.689 2.118 2.550 -0.1278 1.7599 -0.2643 + 2017SOL OW 6107 3.918 2.986 3.255 -0.2722 -0.2234 0.0461 + 2017SOL HW1 6108 3.887 3.070 3.222 -0.5334 0.1064 1.0537 + 2017SOL HW2 6109 3.938 3.002 3.348 -0.5815 -1.3324 0.3378 + 2018SOL OW 6110 1.061 1.133 1.613 -0.6026 -0.0743 0.5529 + 2018SOL HW1 6111 1.147 1.176 1.608 -0.5096 -0.3096 -0.0008 + 2018SOL HW2 6112 1.066 1.079 1.692 0.1975 -0.9828 -0.0753 + 2019SOL OW 6113 3.507 3.927 1.292 0.6340 -0.0466 0.1156 + 2019SOL HW1 6114 3.543 3.839 1.290 0.5075 -0.1285 0.8326 + 2019SOL HW2 6115 3.575 3.980 1.333 0.1620 -0.1103 1.0399 + 2020SOL OW 6116 2.595 1.477 2.093 -0.2393 -0.1582 0.2668 + 2020SOL HW1 6117 2.523 1.498 2.033 -0.1108 -0.0150 0.1612 + 2020SOL HW2 6118 2.654 1.422 2.041 -0.1887 -0.1370 0.3017 + 2021SOL OW 6119 2.012 1.351 1.869 -0.2013 0.1068 -0.1784 + 2021SOL HW1 6120 2.059 1.417 1.819 -0.9571 0.7006 -0.1561 + 2021SOL HW2 6121 2.030 1.268 1.825 0.9460 0.2725 -0.0809 + 2022SOL OW 6122 1.216 0.010 1.229 -0.4966 -0.5310 -0.0925 + 2022SOL HW1 6123 1.221 -0.057 1.297 -0.9811 0.1683 0.6803 + 2022SOL HW2 6124 1.264 0.084 1.265 0.2400 -0.5132 -1.0328 + 2023SOL OW 6125 2.584 0.245 2.719 0.6252 0.0845 0.0568 + 2023SOL HW1 6126 2.572 0.150 2.721 -1.1345 0.2196 -0.6257 + 2023SOL HW2 6127 2.628 0.262 2.636 0.8878 -0.1055 0.1516 + 2024SOL OW 6128 1.194 2.169 2.578 0.1253 -0.3754 0.4989 + 2024SOL HW1 6129 1.205 2.076 2.598 -0.8392 -0.4960 0.5672 + 2024SOL HW2 6130 1.192 2.212 2.664 0.1964 -0.3419 0.4836 + 2025SOL OW 6131 2.037 3.907 1.269 0.2430 -0.0718 0.1225 + 2025SOL HW1 6132 2.003 3.907 1.359 0.7280 0.9351 0.3415 + 2025SOL HW2 6133 1.963 3.933 1.215 0.1744 0.2151 0.3513 + 2026SOL OW 6134 3.653 0.809 3.210 0.7855 0.4508 -0.4706 + 2026SOL HW1 6135 3.568 0.821 3.169 0.5269 -0.9606 -0.4599 + 2026SOL HW2 6136 3.654 0.871 3.283 -0.1686 0.6182 -0.5725 + 2027SOL OW 6137 2.251 0.229 3.254 0.9009 0.2990 -0.1184 + 2027SOL HW1 6138 2.169 0.216 3.302 0.3741 1.2143 -0.7120 + 2027SOL HW2 6139 2.282 0.140 3.235 -0.2075 -0.0746 -0.2939 + 2028SOL OW 6140 2.620 1.042 2.837 -0.1385 -0.1588 -0.2159 + 2028SOL HW1 6141 2.568 1.100 2.781 -0.4503 0.2770 0.4935 + 2028SOL HW2 6142 2.577 0.957 2.830 -0.6689 0.0829 -0.0171 + 2029SOL OW 6143 2.602 2.890 3.636 0.1057 -0.6434 -0.2709 + 2029SOL HW1 6144 2.686 2.845 3.646 -0.2586 -1.1747 0.6238 + 2029SOL HW2 6145 2.539 2.820 3.618 -0.1572 -0.2516 -0.9272 + 2030SOL OW 6146 0.740 1.581 0.266 -0.3309 0.3978 0.3507 + 2030SOL HW1 6147 0.804 1.600 0.197 0.0417 -0.9432 0.2598 + 2030SOL HW2 6148 0.793 1.568 0.345 -0.5575 0.0166 0.4451 + 2031SOL OW 6149 1.148 0.973 1.829 0.1288 -0.1870 -0.2971 + 2031SOL HW1 6150 1.227 0.931 1.864 -0.3995 -0.6066 0.4525 + 2031SOL HW2 6151 1.107 0.906 1.775 0.0347 -0.1350 -0.2910 + 2032SOL OW 6152 1.839 2.685 0.293 -0.2348 0.1090 0.0305 + 2032SOL HW1 6153 1.765 2.632 0.326 0.1066 0.0434 0.7255 + 2032SOL HW2 6154 1.905 2.620 0.268 -0.1011 0.1813 0.1887 + 2033SOL OW 6155 0.267 2.094 2.091 -0.7879 -0.0298 -0.2637 + 2033SOL HW1 6156 0.197 2.035 2.119 1.0260 -1.6010 1.6077 + 2033SOL HW2 6157 0.263 2.167 2.153 -0.7923 -0.0939 -0.1883 + 2034SOL OW 6158 3.590 0.677 1.176 0.1106 -0.0638 0.0966 + 2034SOL HW1 6159 3.622 0.714 1.258 -0.0071 0.9882 -0.2941 + 2034SOL HW2 6160 3.503 0.714 1.165 0.3111 0.2197 -0.7282 + 2035SOL OW 6161 3.602 2.554 1.913 0.1912 -0.3386 -0.2757 + 2035SOL HW1 6162 3.612 2.465 1.878 1.1266 0.0213 -0.9894 + 2035SOL HW2 6163 3.513 2.555 1.949 0.0364 -1.4580 -0.5458 + 2036SOL OW 6164 2.317 1.560 0.979 0.6060 -0.1257 0.1710 + 2036SOL HW1 6165 2.385 1.624 0.996 -0.3618 0.7585 0.9005 + 2036SOL HW2 6166 2.278 1.541 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2.806 0.6325 0.8621 0.6960 + 2149SOL HW2 6505 3.209 0.802 2.878 -1.4684 0.8470 1.3988 + 2150SOL OW 6506 0.180 2.323 2.468 0.4180 0.0775 0.0264 + 2150SOL HW1 6507 0.245 2.275 2.519 -0.1506 -0.8587 -0.0935 + 2150SOL HW2 6508 0.213 2.319 2.378 0.1929 -0.4296 -0.0403 + 2151SOL OW 6509 3.754 3.134 2.750 0.8217 -0.4897 -0.0162 + 2151SOL HW1 6510 3.671 3.182 2.749 0.4894 -1.0328 0.6050 + 2151SOL HW2 6511 3.816 3.195 2.709 0.1332 -0.0683 -0.4947 + 2152SOL OW 6512 2.317 2.654 1.045 -0.2866 -1.0555 0.1936 + 2152SOL HW1 6513 2.267 2.646 1.126 0.2693 0.1540 0.7071 + 2152SOL HW2 6514 2.373 2.731 1.058 -1.2840 0.2107 -1.9071 + 2153SOL OW 6515 1.680 1.205 1.774 0.0574 0.2238 -0.0223 + 2153SOL HW1 6516 1.732 1.175 1.700 -1.1957 -1.2776 -0.3955 + 2153SOL HW2 6517 1.656 1.295 1.752 1.4701 0.5668 -0.3543 + 2154SOL OW 6518 0.699 3.929 3.181 -0.2306 0.0454 -0.3446 + 2154SOL HW1 6519 0.648 3.860 3.141 0.6026 -0.5911 -0.3582 + 2154SOL HW2 6520 0.651 4.010 3.161 -0.6718 -0.4148 -1.2196 + 2155SOL OW 6521 1.357 2.054 2.268 0.7545 0.5648 0.2811 + 2155SOL HW1 6522 1.287 1.990 2.285 0.0668 0.8976 -1.0498 + 2155SOL HW2 6523 1.433 2.019 2.315 0.6326 -1.6673 -0.8939 + 2156SOL OW 6524 2.411 3.461 1.165 -0.2383 0.5542 0.0550 + 2156SOL HW1 6525 2.470 3.421 1.229 -0.4168 0.3287 0.0808 + 2156SOL HW2 6526 2.335 3.403 1.163 0.5342 -0.5525 -1.7746 + 2157SOL OW 6527 3.005 1.341 1.805 0.1087 0.0653 0.8300 + 2157SOL HW1 6528 3.000 1.428 1.844 1.4649 0.4353 0.3048 + 2157SOL HW2 6529 3.097 1.332 1.779 -0.4209 -0.6626 -1.0870 + 2158SOL OW 6530 3.566 3.698 3.539 0.3165 -0.2630 -0.2322 + 2158SOL HW1 6531 3.590 3.771 3.482 -0.1734 0.2681 0.2160 + 2158SOL HW2 6532 3.648 3.675 3.584 0.5560 -0.2381 -0.6460 + 2159SOL OW 6533 3.307 1.879 0.215 0.3903 0.3185 -0.3465 + 2159SOL HW1 6534 3.226 1.829 0.229 0.6591 0.0544 0.4084 + 2159SOL HW2 6535 3.326 1.870 0.122 -0.4916 0.4573 -0.5528 + 2160SOL OW 6536 1.455 0.577 0.980 0.1098 0.1361 0.2040 + 2160SOL HW1 6537 1.519 0.547 0.916 -0.0004 0.2715 0.0296 + 2160SOL HW2 6538 1.471 0.671 0.989 -1.1381 0.5559 -1.1126 + 2161SOL OW 6539 2.044 0.858 2.560 0.5080 0.6466 -0.1437 + 2161SOL HW1 6540 2.010 0.920 2.496 -0.4286 0.1977 -0.1152 + 2161SOL HW2 6541 1.970 0.799 2.579 1.0924 0.0715 0.4951 + 3.98907 3.98907 3.98907 diff --git a/simulations/helical_peptide_control/md/short_peptide/t_250/berendsen_npt.mdp b/simulations/helical_peptide_control/md/short_peptide/t_250/berendsen_npt.mdp new file mode 100644 index 00000000..4b971e80 --- /dev/null +++ b/simulations/helical_peptide_control/md/short_peptide/t_250/berendsen_npt.mdp @@ -0,0 +1,34 @@ +title = NPT simulation of solvated.gro at 250 K ; updated for better performance +integrator = md +dt = 0.004 +nsteps = 1250000 +nstxout-compressed = 25000 +nstxout = 25000 +nstvout = 25000 +nstfout = 25000 +nstenergy = 25000 +cutoff-scheme = Verlet +nstlist = 40 +vdwtype = cutoff +vdw-modifier = Potential-shift-Verlet +rvdw = 1 +coulombtype = PME +coulomb-modifier = Potential-shift-Verlet +rcoulomb = 1 +Tcoupl = berendsen +tc-grps = system +tau-t = 2 +ref-t = 250 +Pcoupl = berendsen +Pcoupltype = isotropic +ref-p = 1 +tau-p = 20 +compressibility = 4.5e-5 +gen-vel = yes +gen-temp = 250 +DispCorr = EnerPres +constraints = h-bonds +constraint-algorithm = lincs +lincs_iter = 2 ; accuracy of LINCS +lincs_order = 8 ; also related to accuracy +refcoord-scaling = com \ No newline at end of file diff --git a/simulations/helical_peptide_control/md/short_peptide/t_250/berendsen_nvt.gro b/simulations/helical_peptide_control/md/short_peptide/t_250/berendsen_nvt.gro new file mode 100644 index 00000000..a4679eb1 --- /dev/null +++ b/simulations/helical_peptide_control/md/short_peptide/t_250/berendsen_nvt.gro @@ -0,0 +1,6544 @@ +Peptide in water + 6541 + 1ACE H1 1 2.967 0.893 2.296 -1.2888 -0.1032 -0.1084 + 1ACE CH3 2 2.909 0.924 2.383 -0.4769 -0.0363 0.4297 + 1ACE H2 3 2.828 0.992 2.356 -0.0340 0.1486 -0.5529 + 1ACE H3 4 2.976 0.968 2.457 -0.1328 -0.2790 0.2704 + 1ACE C 5 2.858 0.797 2.442 -0.5864 0.2922 0.3183 + 1ACE O 6 2.822 0.711 2.367 0.1496 0.2672 -0.0019 + 2ALA N 7 2.854 0.791 2.574 0.2412 -0.4550 0.2109 + 2ALA H 8 2.896 0.862 2.632 0.6302 -0.7748 0.3252 + 2ALA CA 9 2.787 0.674 2.639 0.4388 0.2549 0.0918 + 2ALA HA 10 2.831 0.582 2.601 1.0688 0.2585 0.7658 + 2ALA CB 11 2.815 0.686 2.786 -0.0581 0.2398 -0.6159 + 2ALA HB1 12 2.921 0.698 2.808 -0.2771 0.3881 0.4888 + 2ALA HB2 13 2.760 0.774 2.819 0.7495 0.4644 0.2324 + 2ALA HB3 14 2.786 0.599 2.846 0.7102 0.1619 -0.3344 + 2ALA C 15 2.639 0.676 2.604 -0.7901 -0.4021 -0.5282 + 2ALA O 16 2.579 0.569 2.614 0.3232 -0.1937 -0.4989 + 3ALA N 17 2.583 0.783 2.556 -0.0124 -0.0698 0.1164 + 3ALA H 18 2.642 0.863 2.540 -0.4467 0.1617 -0.4355 + 3ALA CA 19 2.443 0.794 2.515 -0.1264 0.2167 0.5324 + 3ALA HA 20 2.375 0.743 2.584 -1.1093 0.0898 -0.4770 + 3ALA CB 21 2.400 0.942 2.523 -0.2201 0.6703 -0.5068 + 3ALA HB1 22 2.410 0.983 2.624 -0.3809 0.5241 -0.4313 + 3ALA HB2 23 2.463 1.005 2.460 0.4921 -0.0040 -0.4971 + 3ALA HB3 24 2.298 0.956 2.487 -0.1266 0.6606 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788SOL OW 2420 1.309 5.575 0.604 -0.0076 -0.5170 -0.1742 + 788SOL HW1 2421 1.234 5.595 0.549 -0.3312 0.1503 0.4735 + 788SOL HW2 2422 1.338 5.488 0.575 -0.8927 -0.7003 -0.5750 + 789SOL OW 2423 2.032 0.231 3.790 -0.5775 -0.3549 0.1509 + 789SOL HW1 2424 1.971 0.220 3.717 0.7409 -0.9644 -0.9304 + 789SOL HW2 2425 2.066 0.320 3.781 1.0540 -1.0096 -1.3110 + 790SOL OW 2426 3.910 0.106 5.333 0.1132 0.0685 -0.0396 + 790SOL HW1 2427 3.829 0.117 5.383 0.0538 -0.3772 -0.0313 + 790SOL HW2 2428 3.979 0.104 5.399 0.2675 1.4222 -0.0859 + 791SOL OW 2429 1.280 5.749 0.073 -0.3529 0.1095 -0.5162 + 791SOL HW1 2430 1.328 5.701 0.140 -0.9348 -0.4385 -0.4775 + 791SOL HW2 2431 1.289 5.696 -0.006 -0.3493 0.3385 -0.6723 + 792SOL OW 2432 2.482 1.069 0.175 0.2812 0.1018 -0.3683 + 792SOL HW1 2433 2.466 1.083 0.268 0.0057 0.0127 -0.4019 + 792SOL HW2 2434 2.408 1.110 0.130 -0.6091 -1.4658 -0.4639 + 793SOL OW 2435 2.066 0.346 4.587 0.3161 -0.6297 -0.4051 + 793SOL HW1 2436 2.140 0.405 4.569 -0.2636 0.2559 -0.0411 + 793SOL HW2 2437 2.094 0.295 4.663 0.4236 -0.0245 -0.0236 + 794SOL OW 2438 3.115 5.822 5.464 -0.2787 0.5323 0.0609 + 794SOL HW1 2439 3.115 5.733 5.501 -0.6938 0.2924 -0.4839 + 794SOL HW2 2440 3.132 5.879 5.539 1.0375 -0.0500 0.2720 + 795SOL OW 2441 1.874 5.624 0.465 -0.5591 -0.3593 -0.6432 + 795SOL HW1 2442 1.952 5.673 0.439 -0.4341 -0.1414 0.0903 + 795SOL HW2 2443 1.889 5.603 0.558 -0.8633 -1.3011 -0.7878 + 796SOL OW 2444 4.577 0.116 3.429 -0.2384 0.4390 0.2807 + 796SOL HW1 2445 4.594 0.037 3.480 -0.5683 0.1361 -0.0669 + 796SOL HW2 2446 4.509 0.162 3.478 0.5603 0.9712 0.9528 + 797SOL OW 2447 3.756 0.870 1.824 0.1939 -0.1793 0.0780 + 797SOL HW1 2448 3.663 0.872 1.800 0.3442 0.7566 -0.5482 + 797SOL HW2 2449 3.757 0.846 1.916 -0.6149 -0.9108 -0.0778 + 798SOL OW 2450 1.175 1.040 4.435 0.4185 0.2004 -0.0799 + 798SOL HW1 2451 1.106 1.031 4.369 -0.0240 0.1255 0.3848 + 798SOL HW2 2452 1.249 1.078 4.387 -0.0522 0.5998 -0.5123 + 799SOL OW 2453 3.878 5.885 4.565 0.0386 0.0442 0.1632 + 799SOL HW1 2454 3.924 5.868 4.482 0.2363 -0.8543 0.4298 + 799SOL HW2 2455 3.815 5.953 4.544 -0.4053 -0.6443 -0.9171 + 800SOL OW 2456 3.563 0.045 1.074 0.3932 -0.4201 -0.5322 + 800SOL HW1 2457 3.613 0.105 1.129 -0.5712 -1.3671 1.6208 + 800SOL HW2 2458 3.484 0.093 1.050 -0.3382 -0.6473 1.1142 + 801SOL OW 2459 4.242 5.715 2.302 -0.0465 -0.0122 -0.2223 + 801SOL HW1 2460 4.221 5.623 2.315 -0.3977 -0.1548 -1.5546 + 801SOL HW2 2461 4.157 5.759 2.303 0.1505 0.4106 0.9244 + 802SOL OW 2462 2.924 0.134 3.723 -0.4817 0.2052 0.4897 + 802SOL HW1 2463 2.864 0.174 3.785 0.5004 0.7477 1.1606 + 802SOL HW2 2464 2.985 0.205 3.700 0.2030 -0.4290 0.2553 + 803SOL OW 2465 5.490 5.489 1.557 0.1552 0.3040 0.1257 + 803SOL HW1 2466 5.577 5.489 1.596 0.1298 -0.3341 0.2065 + 803SOL HW2 2467 5.444 5.417 1.601 -0.3886 0.5863 0.0364 + 804SOL OW 2468 3.515 1.168 1.401 -0.0627 -0.1778 -0.1392 + 804SOL HW1 2469 3.421 1.182 1.409 0.0002 0.0160 0.3956 + 804SOL HW2 2470 3.530 1.156 1.308 -0.6179 -0.2130 -0.2314 + 805SOL OW 2471 1.212 0.079 1.001 0.3192 0.3535 -0.4603 + 805SOL HW1 2472 1.264 0.088 1.081 0.1487 0.4182 -0.3558 + 805SOL HW2 2473 1.277 0.069 0.931 0.4728 0.5283 -0.3428 + 806SOL OW 2474 2.886 0.086 0.953 0.1703 -0.3693 0.0339 + 806SOL HW1 2475 2.899 0.095 0.859 -0.7583 0.3887 -0.0558 + 806SOL HW2 2476 2.791 0.096 0.965 0.3422 0.3237 1.1222 + 807SOL OW 2477 3.365 5.657 1.761 -0.2713 0.2061 0.6213 + 807SOL HW1 2478 3.343 5.685 1.850 -0.2776 0.1122 0.6488 + 807SOL HW2 2479 3.358 5.738 1.709 0.0258 0.3217 0.7555 + 808SOL OW 2480 2.995 0.965 3.774 0.4214 -0.1679 0.3675 + 808SOL HW1 2481 3.089 0.962 3.755 0.0859 0.1245 -1.9131 + 808SOL HW2 2482 2.979 1.054 3.804 0.7576 0.1347 -0.3056 + 809SOL OW 2483 3.251 0.681 2.328 0.2651 -0.5713 0.4310 + 809SOL HW1 2484 3.253 0.718 2.240 -0.8718 -0.7603 0.2940 + 809SOL HW2 2485 3.215 0.593 2.316 0.2821 -0.6731 1.0646 + 810SOL OW 2486 2.604 0.310 0.944 0.3008 0.0084 0.4021 + 810SOL HW1 2487 2.682 0.350 0.907 -0.9622 1.7071 -0.7372 + 810SOL HW2 2488 2.552 0.383 0.976 -1.3659 -0.8837 -0.0255 + 811SOL OW 2489 1.697 0.813 5.368 -0.2431 0.5442 0.8497 + 811SOL HW1 2490 1.728 0.884 5.311 1.6820 0.1320 1.2556 + 811SOL HW2 2491 1.647 0.756 5.309 0.0902 1.0806 0.0032 + 812SOL OW 2492 1.991 -0.008 3.909 0.6447 -0.9656 -0.5291 + 812SOL HW1 2493 1.984 0.085 3.890 -0.9570 -0.6582 1.0780 + 812SOL HW2 2494 1.964 -0.051 3.827 -1.9705 0.1339 -0.4188 + 813SOL OW 2495 2.737 1.359 3.774 0.8046 -0.0938 -0.5099 + 813SOL HW1 2496 2.748 1.342 3.680 -0.2516 -1.2059 -0.4838 + 813SOL HW2 2497 2.653 1.405 3.780 0.1008 -1.3382 -0.0574 + 814SOL OW 2498 1.363 5.255 0.556 0.0710 0.0870 0.2278 + 814SOL HW1 2499 1.447 5.211 0.568 0.7840 1.4321 0.4941 + 814SOL HW2 2500 1.315 5.235 0.636 0.8069 0.6415 0.8373 + 815SOL OW 2501 2.932 0.911 4.240 -0.0798 0.1763 -0.5247 + 815SOL HW1 2502 2.858 0.971 4.251 0.3591 0.7882 -0.7810 + 815SOL HW2 2503 2.909 0.858 4.164 -0.3107 0.2766 -0.5252 + 816SOL OW 2504 3.150 5.918 1.006 -0.1928 0.5634 0.1744 + 816SOL HW1 2505 3.151 5.938 0.913 -0.6831 0.8163 0.2177 + 816SOL HW2 2506 3.069 5.957 1.038 -1.0278 -1.1373 0.3555 + 817SOL OW 2507 5.075 1.123 1.499 -0.0559 0.1164 0.2011 + 817SOL HW1 2508 5.108 1.096 1.413 -0.2305 0.6530 -0.0419 + 817SOL HW2 2509 5.124 1.069 1.561 -0.9183 -1.3203 -0.2689 + 818SOL OW 2510 4.007 5.548 3.021 -0.1917 -0.6488 0.2836 + 818SOL HW1 2511 4.081 5.593 2.980 -0.0780 -0.8157 0.3038 + 818SOL HW2 2512 3.930 5.582 2.975 -0.1051 -0.4599 0.2754 + 819SOL OW 2513 2.710 5.546 4.211 -0.4357 -0.5484 -0.1264 + 819SOL HW1 2514 2.711 5.509 4.122 0.4742 -0.3738 -0.2037 + 819SOL HW2 2515 2.694 5.639 4.198 -1.2356 -0.6563 -0.0277 + 820SOL OW 2516 3.173 0.680 0.400 0.1353 -0.4092 -0.3065 + 820SOL HW1 2517 3.109 0.751 0.393 -0.6590 -1.1021 -0.4189 + 820SOL HW2 2518 3.219 0.697 0.482 0.6239 0.7374 -0.7744 + 821SOL OW 2519 2.383 0.178 5.817 0.2822 -0.2705 0.0158 + 821SOL HW1 2520 2.435 0.208 5.892 0.2983 0.0216 -0.1093 + 821SOL HW2 2521 2.385 0.251 5.755 0.7752 -0.7199 -0.5345 + 822SOL OW 2522 2.025 0.527 1.261 0.4520 -0.3721 0.3937 + 822SOL HW1 2523 2.076 0.608 1.265 0.4333 -0.3450 0.1204 + 822SOL HW2 2524 2.003 0.508 1.353 -1.3365 1.0666 0.3787 + 823SOL OW 2525 4.565 0.085 0.636 0.6989 -0.4833 0.0450 + 823SOL HW1 2526 4.589 0.177 0.633 0.4709 -0.4324 -0.3131 + 823SOL HW2 2527 4.611 0.051 0.712 0.3833 0.0391 0.4797 + 824SOL OW 2528 4.110 1.046 0.637 0.2057 0.4718 0.0977 + 824SOL HW1 2529 4.123 1.101 0.560 0.5836 -0.2192 -0.3543 + 824SOL HW2 2530 4.027 1.074 0.674 -0.3862 0.2918 -1.0298 + 825SOL OW 2531 0.702 5.331 2.923 0.5734 -0.4622 0.2666 + 825SOL HW1 2532 0.742 5.343 2.836 -0.4286 -1.0275 -0.3078 + 825SOL HW2 2533 0.742 5.252 2.957 -0.9099 -1.8650 -0.9149 + 826SOL OW 2534 2.751 4.917 1.496 -0.1748 -0.4627 0.0163 + 826SOL HW1 2535 2.793 4.898 1.580 0.6300 0.0632 -0.2438 + 826SOL HW2 2536 2.665 4.950 1.519 0.1498 -0.0286 0.6567 + 827SOL OW 2537 2.445 5.651 4.082 -0.3475 0.6070 0.2251 + 827SOL HW1 2538 2.518 5.712 4.093 -0.3725 0.5947 0.4585 + 827SOL HW2 2539 2.408 5.674 3.997 0.0519 0.4795 0.0117 + 828SOL OW 2540 1.574 5.451 2.149 0.3253 0.3335 -0.0497 + 828SOL HW1 2541 1.620 5.526 2.110 -0.3198 0.9072 0.2458 + 828SOL HW2 2542 1.622 5.375 2.118 1.2261 0.8808 -0.0757 + 829SOL OW 2543 2.350 0.600 1.409 -0.2966 -0.5333 0.5341 + 829SOL HW1 2544 2.300 0.670 1.368 -0.3486 -0.9744 -0.1862 + 829SOL HW2 2545 2.318 0.597 1.499 -1.0316 -0.3061 0.2957 + 830SOL OW 2546 3.068 4.747 1.801 -0.2102 -0.2741 -0.0621 + 830SOL HW1 2547 3.096 4.740 1.710 -0.0505 0.2697 -0.0624 + 830SOL HW2 2548 3.141 4.791 1.845 -0.4569 -0.1634 0.2419 + 831SOL OW 2549 0.875 0.951 0.355 -0.4966 0.4241 -0.2036 + 831SOL HW1 2550 0.944 1.016 0.336 0.3232 0.0424 1.1934 + 831SOL HW2 2551 0.920 0.867 0.348 -0.9024 0.1492 0.3997 + 832SOL OW 2552 5.148 0.276 1.445 0.1264 -0.0328 0.3922 + 832SOL HW1 2553 5.180 0.188 1.427 1.3728 0.4762 -0.0491 + 832SOL HW2 2554 5.162 0.288 1.539 -0.0532 -0.2998 0.4547 + 833SOL OW 2555 2.341 0.776 1.125 -0.5951 -0.4127 -0.3673 + 833SOL HW1 2556 2.273 0.759 1.189 0.8932 0.3080 1.6056 + 833SOL HW2 2557 2.323 0.864 1.092 -0.4392 -0.0633 0.4439 + 834SOL OW 2558 5.724 5.612 1.908 -0.0624 0.3412 -0.6296 + 834SOL HW1 2559 5.649 5.670 1.914 0.3801 0.9505 -0.8301 + 834SOL HW2 2560 5.785 5.644 1.975 -0.0557 -0.2741 -0.3238 + 835SOL OW 2561 3.488 0.289 0.012 -0.3436 -0.1802 0.2298 + 835SOL HW1 2562 3.545 0.337 0.072 -0.6557 0.3107 0.1402 + 835SOL HW2 2563 3.432 0.356 -0.026 -0.1197 -0.4714 -0.6520 + 836SOL OW 2564 2.561 5.777 5.932 -0.1563 0.3697 0.2380 + 836SOL HW1 2565 2.621 5.780 6.007 0.1073 -0.0180 0.0449 + 836SOL HW2 2566 2.583 5.856 5.882 -0.0878 0.4428 0.3806 + 837SOL OW 2567 1.901 1.002 2.486 -0.0087 0.8769 -0.1430 + 837SOL HW1 2568 1.956 0.926 2.509 0.2428 1.2082 0.3974 + 837SOL HW2 2569 1.953 1.050 2.421 0.1210 0.9216 -0.0085 + 838SOL OW 2570 1.998 5.144 4.312 0.0956 -0.2313 0.1395 + 838SOL HW1 2571 1.937 5.166 4.242 -0.4137 -0.0172 0.6360 + 838SOL HW2 2572 1.945 5.098 4.377 0.3936 0.1944 0.7083 + 839SOL OW 2573 1.079 5.486 2.445 -0.3999 -0.2187 0.2286 + 839SOL HW1 2574 1.174 5.479 2.436 -0.2801 -1.7129 1.6902 + 839SOL HW2 2575 1.045 5.403 2.412 -1.1538 0.0445 0.2951 + 840SOL OW 2576 2.363 4.988 2.338 0.1481 -0.1863 0.0883 + 840SOL HW1 2577 2.371 4.932 2.415 0.3380 0.9221 0.9263 + 840SOL HW2 2578 2.287 5.043 2.356 0.1922 0.0891 -0.5255 + 841SOL OW 2579 -0.005 1.095 2.010 0.3979 -0.5767 -0.3066 + 841SOL HW1 2580 0.016 1.084 1.917 1.8193 1.1851 -0.3202 + 841SOL HW2 2581 0.065 1.151 2.043 -1.0240 0.3820 1.4120 + 842SOL OW 2582 1.330 0.055 1.508 -0.1045 -0.6030 0.1510 + 842SOL HW1 2583 1.412 0.095 1.538 0.0241 -0.4493 -0.3889 + 842SOL HW2 2584 1.271 0.063 1.583 0.2274 -0.2849 0.3849 + 843SOL OW 2585 3.503 5.584 1.109 0.2841 -0.0161 -0.2365 + 843SOL HW1 2586 3.482 5.670 1.144 0.1606 -0.2719 0.3464 + 843SOL HW2 2587 3.552 5.602 1.028 -0.4210 0.5902 -0.5498 + 844SOL OW 2588 2.325 5.316 1.649 -0.0695 0.5461 0.4999 + 844SOL HW1 2589 2.417 5.341 1.645 -0.0669 0.4574 -0.1794 + 844SOL HW2 2590 2.283 5.386 1.698 0.2821 0.8204 0.4170 + 845SOL OW 2591 2.762 5.761 3.645 0.0987 0.4614 0.2166 + 845SOL HW1 2592 2.837 5.728 3.695 0.1024 -0.4623 -0.3421 + 845SOL HW2 2593 2.800 5.824 3.584 0.7229 -0.9085 -0.9549 + 846SOL OW 2594 4.228 0.075 0.204 -1.0071 -0.1865 -0.1785 + 846SOL HW1 2595 4.167 0.118 0.144 -0.4786 1.2101 0.2036 + 846SOL HW2 2596 4.204 0.109 0.291 0.2224 0.3741 -0.0120 + 847SOL OW 2597 1.099 0.192 3.693 0.1547 0.5519 -0.2400 + 847SOL HW1 2598 1.047 0.258 3.738 -0.5442 0.2211 -0.5327 + 847SOL HW2 2599 1.097 0.116 3.751 0.1467 0.4690 -0.3495 + 848SOL OW 2600 2.068 1.386 3.574 0.3765 -0.1876 0.1780 + 848SOL HW1 2601 2.070 1.459 3.513 0.9649 -0.5148 -0.2083 + 848SOL HW2 2602 1.986 1.341 3.555 0.1851 0.1533 0.1716 + 849SOL OW 2603 2.920 0.606 3.089 0.2794 0.7017 -0.2672 + 849SOL HW1 2604 2.886 0.694 3.077 -0.8230 0.3204 -0.1970 + 849SOL HW2 2605 2.900 0.586 3.181 0.7196 0.4544 -0.2217 + 850SOL OW 2606 2.207 5.918 1.358 -0.2896 -0.2415 0.2728 + 850SOL HW1 2607 2.275 5.858 1.388 -0.4912 -0.1102 1.0382 + 850SOL HW2 2608 2.254 5.985 1.308 0.0054 -0.7105 -0.0954 + 851SOL OW 2609 1.822 1.245 3.586 0.6373 -0.0359 -0.2237 + 851SOL HW1 2610 1.777 1.161 3.595 1.2448 -0.4592 -0.9159 + 851SOL HW2 2611 1.753 1.306 3.561 0.3285 -0.5296 -0.6248 + 852SOL OW 2612 1.815 0.917 2.824 0.2286 0.6639 0.3019 + 852SOL HW1 2613 1.771 0.843 2.783 1.1514 0.3876 -0.2365 + 852SOL HW2 2614 1.746 0.963 2.871 -0.3179 -0.7421 0.9801 + 853SOL OW 2615 1.809 5.910 5.043 -0.4106 0.6096 0.0935 + 853SOL HW1 2616 1.868 5.981 5.018 -0.0260 0.0787 -0.5703 + 853SOL HW2 2617 1.740 5.912 4.976 -0.2003 0.1319 -0.1422 + 854SOL OW 2618 2.667 0.764 1.626 -0.8017 -0.2072 -0.1821 + 854SOL HW1 2619 2.642 0.837 1.683 0.2974 -0.2593 0.4148 + 854SOL HW2 2620 2.720 0.707 1.682 -0.4072 -0.7149 -1.0343 + 855SOL OW 2621 3.810 1.116 5.594 -0.0507 0.2761 0.0104 + 855SOL HW1 2622 3.787 1.086 5.682 0.3300 -0.2031 -0.0447 + 855SOL HW2 2623 3.825 1.035 5.545 -0.0451 0.5450 -0.4357 + 856SOL OW 2624 3.470 0.561 4.946 0.2699 0.8321 0.1830 + 856SOL HW1 2625 3.410 0.587 4.876 0.3841 1.2965 0.2478 + 856SOL HW2 2626 3.513 0.482 4.913 -0.5005 0.3817 0.2189 + 857SOL OW 2627 3.353 0.228 5.598 -0.0409 -0.0207 0.1865 + 857SOL HW1 2628 3.295 0.243 5.673 -0.0487 -0.1190 0.2011 + 857SOL HW2 2629 3.294 0.228 5.522 -0.0229 0.1514 0.1739 + 858SOL OW 2630 2.036 5.227 2.647 0.2928 0.5289 -0.2302 + 858SOL HW1 2631 2.008 5.297 2.706 0.0061 0.7824 -0.6589 + 858SOL HW2 2632 2.000 5.147 2.686 -1.3224 0.8559 -0.8808 + 859SOL OW 2633 1.238 5.895 3.218 0.4628 0.6953 0.3767 + 859SOL HW1 2634 1.207 5.814 3.258 1.0915 0.4255 0.3483 + 859SOL HW2 2635 1.162 5.953 3.219 -0.0280 0.0788 0.3140 + 860SOL OW 2636 0.664 0.756 3.916 -0.2636 0.1303 0.6670 + 860SOL HW1 2637 0.660 0.670 3.958 0.2662 -0.3009 -0.1076 + 860SOL HW2 2638 0.756 0.783 3.925 -0.0129 -0.1915 -0.5587 + 861SOL OW 2639 1.982 5.084 5.318 0.2662 -0.1087 -0.2498 + 861SOL HW1 2640 2.073 5.087 5.291 0.3331 0.0062 -0.0117 + 861SOL HW2 2641 1.963 4.991 5.330 0.0364 -0.2334 -1.3551 + 862SOL OW 2642 2.505 0.574 1.049 0.6009 0.1693 0.3457 + 862SOL 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0.305 0.9334 0.1976 -0.2972 + 874SOL OW 2678 3.915 0.529 2.125 -0.2240 0.6053 -0.2845 + 874SOL HW1 2679 3.927 0.487 2.040 -1.0960 0.1310 -0.2053 + 874SOL HW2 2680 3.997 0.516 2.171 -0.3861 -0.9110 -0.3290 + 875SOL OW 2681 1.560 0.834 2.641 -0.0803 0.3655 0.2244 + 875SOL HW1 2682 1.581 0.918 2.601 1.2592 0.2407 0.5564 + 875SOL HW2 2683 1.613 0.771 2.592 0.7353 0.0648 1.4106 + 876SOL OW 2684 0.706 0.277 1.765 -0.9218 0.3989 0.3652 + 876SOL HW1 2685 0.720 0.258 1.858 -1.3809 0.9071 0.5511 + 876SOL HW2 2686 0.615 0.308 1.760 -0.9790 0.1578 -0.2932 + 877SOL OW 2687 0.937 0.175 4.767 0.0737 -0.6511 0.7623 + 877SOL HW1 2688 0.985 0.252 4.797 -0.0857 -0.2712 0.1019 + 877SOL HW2 2689 0.845 0.198 4.779 -0.0727 -0.0004 -0.9356 + 878SOL OW 2690 3.285 5.974 5.969 -0.1668 -0.4846 -0.0688 + 878SOL HW1 2691 3.275 5.952 6.061 -0.1050 -2.1180 -0.3872 + 878SOL HW2 2692 3.378 5.996 5.960 -0.1769 -0.3004 0.2506 + 879SOL OW 2693 1.885 0.004 1.954 0.3872 0.0075 0.3363 + 879SOL HW1 2694 1.918 -0.054 2.023 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0.6757 0.4472 + 891SOL OW 2729 4.617 0.917 1.792 1.1270 0.1855 -0.2475 + 891SOL HW1 2730 4.686 0.868 1.748 0.6553 -0.3788 -0.3888 + 891SOL HW2 2731 4.619 0.884 1.882 0.4786 -0.5006 -0.4620 + 892SOL OW 2732 0.691 0.433 3.725 -0.2916 -0.0450 -0.2465 + 892SOL HW1 2733 0.683 0.527 3.711 -0.6084 -0.0002 0.2125 + 892SOL HW2 2734 0.601 0.401 3.727 -0.2167 -0.2369 0.3835 + 893SOL OW 2735 1.479 1.657 2.234 -0.7032 0.1533 0.2657 + 893SOL HW1 2736 1.554 1.660 2.174 0.0136 0.8660 1.1421 + 893SOL HW2 2737 1.420 1.724 2.201 0.0074 1.0458 0.6999 + 894SOL OW 2738 1.267 5.518 5.893 -0.6561 0.0330 0.1049 + 894SOL HW1 2739 1.188 5.469 5.917 -0.3769 -0.1234 0.7729 + 894SOL HW2 2740 1.339 5.459 5.917 -0.3352 0.3024 -0.1854 + 895SOL OW 2741 3.460 1.158 0.782 -0.4882 0.2174 -0.3682 + 895SOL HW1 2742 3.446 1.134 0.690 -1.4231 0.9421 -0.4423 + 895SOL HW2 2743 3.484 1.076 0.825 -0.5406 -0.2307 -1.1579 + 896SOL OW 2744 1.820 0.973 1.382 -0.2816 -0.0292 -0.4446 + 896SOL HW1 2745 1.804 1.033 1.455 0.1802 0.1498 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HW1 2763 2.866 0.457 0.155 0.8506 -0.3867 0.2814 + 902SOL HW2 2764 2.787 0.412 0.277 0.1489 1.1174 0.4311 + 903SOL OW 2765 3.117 5.182 0.126 -0.2307 0.1705 -0.6800 + 903SOL HW1 2766 3.196 5.168 0.179 -0.1056 1.4920 -0.4664 + 903SOL HW2 2767 3.052 5.124 0.166 0.4971 -0.6678 -0.6296 + 904SOL OW 2768 1.454 5.140 3.665 -0.0152 -0.1959 -0.0471 + 904SOL HW1 2769 1.474 5.230 3.638 -0.4058 -0.2236 -0.4424 + 904SOL HW2 2770 1.511 5.086 3.610 -0.3043 -0.2221 -0.3209 + 905SOL OW 2771 3.328 0.929 4.515 0.0876 0.2035 0.0610 + 905SOL HW1 2772 3.390 0.857 4.512 0.2677 0.3784 -0.8262 + 905SOL HW2 2773 3.254 0.900 4.461 0.1327 0.6449 -0.2512 + 906SOL OW 2774 3.861 0.411 0.457 -0.2237 -0.2284 -0.0567 + 906SOL HW1 2775 3.884 0.395 0.548 -1.0657 0.9797 0.4185 + 906SOL HW2 2776 3.768 0.388 0.451 -0.1969 -0.2323 -0.6107 + 907SOL OW 2777 3.743 1.398 0.261 0.0317 0.0739 -0.4531 + 907SOL HW1 2778 3.769 1.404 0.353 -0.4958 0.1409 -0.3025 + 907SOL HW2 2779 3.676 1.466 0.251 0.7071 0.6639 -1.1109 + 908SOL OW 2780 1.348 5.467 3.052 -0.4565 0.0827 0.3036 + 908SOL HW1 2781 1.382 5.541 3.001 0.5623 -0.4584 0.1320 + 908SOL HW2 2782 1.343 5.395 2.989 0.5603 -0.5260 0.8554 + 909SOL OW 2783 1.386 0.831 4.177 -0.2641 0.0153 0.3493 + 909SOL HW1 2784 1.296 0.802 4.162 -0.3317 0.2652 0.2765 + 909SOL HW2 2785 1.415 0.779 4.253 -0.4522 -0.0967 0.3463 + 910SOL OW 2786 0.890 0.066 1.762 0.5041 0.6386 -0.1988 + 910SOL HW1 2787 0.850 0.154 1.767 -0.2125 0.3133 0.1231 + 910SOL HW2 2788 0.835 0.012 1.818 0.3423 -0.2376 -1.1499 + 911SOL OW 2789 0.567 1.113 2.511 0.4189 0.0329 -0.4205 + 911SOL HW1 2790 0.539 1.042 2.453 0.1171 0.0626 -0.3151 + 911SOL HW2 2791 0.659 1.096 2.527 0.3510 -0.3322 -0.4034 + 912SOL OW 2792 4.348 1.100 2.137 -0.5483 0.5314 -0.2687 + 912SOL HW1 2793 4.274 1.086 2.195 -0.1804 -0.0473 0.0793 + 912SOL HW2 2794 4.392 1.015 2.132 0.0607 0.8415 -0.5059 + 913SOL OW 2795 4.033 0.075 0.811 0.5867 -0.5237 -0.0435 + 913SOL HW1 2796 4.001 0.070 0.721 0.8279 -1.1727 -0.1030 + 913SOL HW2 2797 3.987 0.005 0.857 -0.2459 0.3806 0.5933 + 914SOL OW 2798 1.678 1.126 1.577 -0.4576 0.3355 0.0409 + 914SOL HW1 2799 1.726 1.193 1.528 -1.0906 0.0753 -0.9965 + 914SOL HW2 2800 1.715 1.130 1.665 0.7832 0.7899 -0.4551 + 915SOL OW 2801 1.876 0.411 5.581 0.4670 0.0313 0.5253 + 915SOL HW1 2802 1.802 0.353 5.599 0.4663 -0.1729 -0.1032 + 915SOL HW2 2803 1.950 0.370 5.624 0.1963 0.3518 1.3580 + 916SOL OW 2804 3.982 5.546 3.286 0.1355 0.2871 -0.5689 + 916SOL HW1 2805 3.991 5.539 3.191 0.1585 -0.0540 -0.5434 + 916SOL HW2 2806 3.897 5.507 3.304 0.3349 -0.0733 -0.4018 + 917SOL OW 2807 2.418 1.544 2.028 -0.7441 0.2795 0.1878 + 917SOL HW1 2808 2.368 1.597 1.966 -0.0296 0.5573 -0.1745 + 917SOL HW2 2809 2.419 1.456 1.988 -2.3661 -0.1901 1.0412 + 918SOL OW 2810 0.986 5.753 1.649 -0.1163 0.1933 -0.5038 + 918SOL HW1 2811 0.929 5.801 1.589 -0.1442 2.0286 0.8318 + 918SOL HW2 2812 0.931 5.734 1.725 0.4725 -0.0757 -0.1259 + 919SOL OW 2813 3.126 5.445 1.989 0.1565 -0.7951 0.4749 + 919SOL HW1 2814 3.058 5.446 2.056 0.0749 0.2837 0.4255 + 919SOL HW2 2815 3.083 5.411 1.911 -0.7399 0.9032 0.1253 + 920SOL OW 2816 3.031 1.232 4.172 -0.0616 -0.8825 -0.4767 + 920SOL HW1 2817 3.028 1.236 4.268 -0.7114 -0.8997 -0.4865 + 920SOL HW2 2818 3.123 1.217 4.152 -0.0150 -1.6195 0.1755 + 921SOL OW 2819 2.173 0.120 5.146 0.2676 0.7564 -0.3076 + 921SOL HW1 2820 2.126 0.123 5.229 0.0463 0.7045 -0.4272 + 921SOL HW2 2821 2.212 0.033 5.143 -0.3186 0.4880 -0.5685 + 922SOL OW 2822 0.264 5.999 2.671 -0.3865 -0.1078 0.2263 + 922SOL HW1 2823 0.255 6.047 2.753 -0.4939 -0.6073 0.5203 + 922SOL HW2 2824 0.304 5.916 2.697 -0.0851 -0.1288 -0.2829 + 923SOL OW 2825 2.481 5.873 2.991 -0.2140 -0.0796 -0.4358 + 923SOL HW1 2826 2.520 5.856 3.077 0.1481 -0.0036 -0.5800 + 923SOL HW2 2827 2.522 5.954 2.962 -0.5725 0.0647 -0.5462 + 924SOL OW 2828 2.681 5.264 4.678 -0.0539 -0.3850 0.0652 + 924SOL HW1 2829 2.702 5.310 4.597 0.2727 -0.6113 0.0179 + 924SOL HW2 2830 2.758 5.276 4.734 -0.2770 -0.2279 0.3477 + 925SOL OW 2831 1.834 1.095 2.142 0.1723 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1218SOL HW2 3712 2.040 5.248 1.162 -0.4317 -0.4862 0.3837 + 1219SOL OW 3713 3.400 1.624 0.762 -0.6847 -0.2550 0.1814 + 1219SOL HW1 3714 3.463 1.598 0.694 -0.1550 0.0149 0.5543 + 1219SOL HW2 3715 3.455 1.657 0.834 -1.2696 1.6354 -0.1330 + 1220SOL OW 3716 1.840 1.547 0.471 -0.5720 0.0596 -0.3175 + 1220SOL HW1 3717 1.847 1.523 0.379 -0.5216 -0.4365 -0.1866 + 1220SOL HW2 3718 1.787 1.478 0.510 -0.9117 0.4654 -0.0452 + 1221SOL OW 3719 4.549 0.603 0.186 0.3435 0.6915 0.0208 + 1221SOL HW1 3720 4.458 0.629 0.196 -0.2176 -1.2429 1.3863 + 1221SOL HW2 3721 4.546 0.528 0.127 0.8746 0.1204 0.6761 + 1222SOL OW 3722 1.954 1.103 0.576 0.4615 0.3291 -0.2907 + 1222SOL HW1 3723 1.934 1.011 0.560 0.9897 -0.0128 0.8044 + 1222SOL HW2 3724 2.044 1.114 0.546 0.1861 0.6823 -1.0325 + 1223SOL OW 3725 1.516 0.134 4.129 0.3105 -0.3284 -0.3485 + 1223SOL HW1 3726 1.423 0.148 4.111 0.1858 1.3030 1.0592 + 1223SOL HW2 3727 1.562 0.195 4.071 0.1973 1.3889 1.1998 + 1224SOL OW 3728 1.984 0.876 1.173 -0.5666 -0.4093 -0.1050 + 1224SOL HW1 3729 1.943 0.925 1.244 0.8388 -0.0225 0.5227 + 1224SOL HW2 3730 2.049 0.820 1.216 0.4442 -0.0626 -1.0513 + 1225SOL OW 3731 4.278 5.968 1.979 0.6894 0.5835 -0.6008 + 1225SOL HW1 3732 4.370 5.949 1.961 0.6956 -0.8952 0.5919 + 1225SOL HW2 3733 4.231 5.890 1.952 -0.0704 0.8794 -0.2017 + 1226SOL OW 3734 2.208 1.387 1.478 0.4610 -0.1043 0.2653 + 1226SOL HW1 3735 2.183 1.359 1.390 -0.6932 1.6565 -0.0654 + 1226SOL HW2 3736 2.135 1.361 1.534 0.7442 -0.3515 0.5266 + 1227SOL OW 3737 1.646 1.529 2.908 0.0908 0.4006 -0.4864 + 1227SOL HW1 3738 1.576 1.568 2.960 0.2548 -0.2056 0.2283 + 1227SOL HW2 3739 1.636 1.435 2.922 1.1952 0.3066 -0.1446 + 1228SOL OW 3740 6.004 0.135 2.699 0.6617 0.1462 0.2109 + 1228SOL HW1 3741 6.046 0.069 2.753 0.4769 0.0732 0.2689 + 1228SOL HW2 3742 5.935 0.087 2.653 0.2298 0.3828 0.5931 + 1229SOL OW 3743 4.178 1.043 2.347 -0.5315 0.0449 0.8439 + 1229SOL HW1 3744 4.104 1.009 2.398 -0.5238 0.5304 1.1843 + 1229SOL HW2 3745 4.181 1.136 2.367 -0.4324 0.2265 0.0685 + 1230SOL OW 3746 3.695 0.743 3.351 0.6402 0.0423 0.2967 + 1230SOL HW1 3747 3.790 0.746 3.361 0.8334 -1.3736 -0.5783 + 1230SOL HW2 3748 3.665 0.684 3.420 0.5344 -0.2870 -0.0227 + 1231SOL OW 3749 2.952 5.840 5.756 -0.1654 -0.4508 0.2663 + 1231SOL HW1 3750 2.947 5.905 5.825 0.0136 -0.0882 -0.0542 + 1231SOL HW2 3751 2.862 5.831 5.724 0.0292 0.9459 -0.8560 + 1232SOL OW 3752 2.913 0.593 0.069 0.2419 0.7202 0.1256 + 1232SOL HW1 3753 2.934 0.598 -0.025 1.0583 -0.2448 0.2211 + 1232SOL HW2 3754 2.958 0.668 0.107 0.9173 0.4641 -0.1207 + 1233SOL OW 3755 3.625 5.887 4.033 -0.2244 0.0499 -0.2669 + 1233SOL HW1 3756 3.641 5.795 4.011 1.1320 0.4504 -1.2878 + 1233SOL HW2 3757 3.581 5.922 3.955 -1.2526 0.1872 0.3397 + 1234SOL OW 3758 1.851 5.559 2.054 -0.1616 -0.1774 0.6340 + 1234SOL HW1 3759 1.885 5.524 1.972 -0.9111 -0.5447 0.4677 + 1234SOL HW2 3760 1.884 5.649 2.057 0.1509 -0.2678 0.0996 + 1235SOL OW 3761 1.792 5.083 4.718 -0.3503 0.0684 0.4961 + 1235SOL HW1 3762 1.750 5.086 4.804 0.1083 -1.0727 0.7999 + 1235SOL HW2 3763 1.882 5.109 4.735 -0.4253 0.5068 0.2288 + 1236SOL OW 3764 2.564 1.541 2.248 -0.8239 0.2972 -0.2713 + 1236SOL HW1 3765 2.611 1.595 2.184 -0.1038 -0.0974 -0.1020 + 1236SOL HW2 3766 2.477 1.530 2.211 -0.7209 0.8580 -0.7197 + 1237SOL OW 3767 5.012 0.135 2.847 -0.3932 0.2865 0.2313 + 1237SOL HW1 3768 5.024 0.210 2.790 0.0542 0.0711 0.0362 + 1237SOL HW2 3769 4.981 0.173 2.930 -0.4923 0.6499 0.0329 + 1238SOL OW 3770 2.054 4.963 0.513 -0.5143 0.0661 -0.1301 + 1238SOL HW1 3771 2.024 4.923 0.594 0.5741 0.1171 0.3360 + 1238SOL HW2 3772 2.148 4.946 0.511 -0.5848 -0.5606 -1.7462 + 1239SOL OW 3773 0.098 0.928 2.390 -0.6895 0.2350 0.4892 + 1239SOL HW1 3774 0.073 0.877 2.467 -1.4645 0.0446 0.1373 + 1239SOL HW2 3775 0.187 0.958 2.408 -0.2235 -1.1692 0.7507 + 1240SOL OW 3776 3.797 5.767 3.128 -0.9177 0.4933 -0.2128 + 1240SOL HW1 3777 3.757 5.680 3.133 0.1296 0.0023 0.2537 + 1240SOL HW2 3778 3.802 5.798 3.218 -0.7689 0.7831 -0.3154 + 1241SOL OW 3779 4.107 5.329 3.569 0.2894 -0.1103 0.1639 + 1241SOL HW1 3780 4.116 5.290 3.656 -0.2358 -0.7513 -0.0600 + 1241SOL HW2 3781 4.066 5.414 3.585 0.2424 -0.2018 0.5449 + 1242SOL OW 3782 1.505 0.113 3.487 -0.1363 0.7084 0.0592 + 1242SOL HW1 3783 1.518 0.059 3.565 -0.5218 0.4521 -0.0515 + 1242SOL HW2 3784 1.439 0.177 3.512 0.1697 1.0052 0.1249 + 1243SOL OW 3785 2.382 5.380 3.156 -0.0341 0.2834 0.2948 + 1243SOL HW1 3786 2.476 5.377 3.138 0.0845 -0.2274 0.8992 + 1243SOL HW2 3787 2.356 5.288 3.161 -0.4904 0.4158 0.4708 + 1244SOL OW 3788 2.354 5.299 5.953 0.5687 0.3048 -0.0554 + 1244SOL HW1 3789 2.360 5.372 5.892 0.8572 -0.2788 -0.7494 + 1244SOL HW2 3790 2.445 5.277 5.973 0.5021 -0.1908 -0.2692 + 1245SOL OW 3791 0.040 0.124 2.195 -0.1640 0.6310 0.1347 + 1245SOL HW1 3792 -0.032 0.180 2.225 -0.0855 0.6105 0.3671 + 1245SOL HW2 3793 0.036 0.128 2.100 -1.0608 -0.1007 0.1080 + 1246SOL OW 3794 4.265 5.917 3.200 0.3518 -0.1939 -0.4694 + 1246SOL HW1 3795 4.329 5.876 3.143 0.6676 1.0190 -1.0585 + 1246SOL HW2 3796 4.184 5.919 3.149 0.0023 -1.0762 0.0023 + 1247SOL OW 3797 3.933 0.389 1.865 -0.4714 0.5282 -0.7589 + 1247SOL HW1 3798 4.004 0.326 1.873 -1.4880 -0.7163 -0.8008 + 1247SOL HW2 3799 3.961 0.449 1.796 -0.1663 -0.9887 -2.0684 + 1248SOL OW 3800 0.075 0.109 1.910 0.4649 0.1470 -0.1176 + 1248SOL HW1 3801 0.154 0.107 1.856 0.5627 0.4881 0.0073 + 1248SOL HW2 3802 0.047 0.017 1.915 1.7454 -0.2479 1.1348 + 1249SOL OW 3803 3.702 1.230 2.319 0.6845 0.9169 0.0988 + 1249SOL HW1 3804 3.698 1.322 2.292 -0.6562 0.8494 -0.0886 + 1249SOL HW2 3805 3.666 1.181 2.245 1.1157 0.2636 0.3029 + 1250SOL OW 3806 1.980 5.962 4.692 0.5243 -0.3251 0.5078 + 1250SOL HW1 3807 1.912 5.895 4.680 0.2852 -0.1402 0.8010 + 1250SOL HW2 3808 1.934 6.036 4.729 0.7402 0.1045 -0.0485 + 1251SOL OW 3809 2.589 6.014 4.368 0.0821 -0.1490 -0.1799 + 1251SOL HW1 3810 2.563 5.929 4.332 -0.5625 0.2847 -0.8064 + 1251SOL HW2 3811 2.564 6.010 4.460 0.0643 -0.6313 -0.1990 + 1252SOL OW 3812 3.729 1.504 2.281 0.0309 -1.1014 0.2689 + 1252SOL HW1 3813 3.790 1.500 2.355 -0.1500 0.7094 0.6083 + 1252SOL HW2 3814 3.782 1.535 2.208 -0.4501 1.2995 0.7571 + 1253SOL OW 3815 1.851 0.255 4.747 -0.5342 0.4946 0.5161 + 1253SOL HW1 3816 1.917 0.284 4.685 -0.5361 1.0762 0.7751 + 1253SOL HW2 3817 1.768 0.261 4.700 -0.4752 0.4182 0.4040 + 1254SOL OW 3818 3.322 0.599 4.704 -0.4074 0.2221 0.0574 + 1254SOL HW1 3819 3.363 0.600 4.618 -0.0312 -0.3956 0.2127 + 1254SOL HW2 3820 3.241 0.548 4.692 -0.1057 -0.2987 0.1588 + 1255SOL OW 3821 1.900 0.111 1.695 0.8775 0.0041 0.0223 + 1255SOL HW1 3822 1.932 0.045 1.634 1.6979 -0.1902 0.6361 + 1255SOL HW2 3823 1.907 0.070 1.781 -0.8926 0.0167 0.2528 + 1256SOL OW 3824 4.025 5.872 2.305 -0.3989 -0.2833 0.1668 + 1256SOL HW1 3825 4.027 5.934 2.378 0.6869 -0.2128 0.1028 + 1256SOL HW2 3826 3.971 5.915 2.239 -0.6282 0.0645 0.5671 + 1257SOL OW 3827 1.275 0.170 4.396 0.7071 0.0913 0.5528 + 1257SOL HW1 3828 1.325 0.240 4.352 0.6246 0.1060 0.4826 + 1257SOL HW2 3829 1.229 0.215 4.466 -0.1457 0.2932 -0.1073 + 1258SOL OW 3830 3.526 5.879 4.304 -0.3698 0.0401 0.4684 + 1258SOL HW1 3831 3.595 5.912 4.361 0.0406 -0.4751 0.2844 + 1258SOL HW2 3832 3.566 5.876 4.217 -1.0930 1.1630 0.0476 + 1259SOL OW 3833 2.691 0.270 3.370 -0.0269 0.5316 -0.1810 + 1259SOL HW1 3834 2.778 0.249 3.335 0.7206 0.1076 1.6615 + 1259SOL HW2 3835 2.694 0.364 3.385 -0.1027 0.6037 -0.5879 + 1260SOL OW 3836 3.010 5.433 4.538 -0.2528 0.4868 0.3634 + 1260SOL HW1 3837 2.981 5.342 4.546 -0.4308 0.5548 0.5439 + 1260SOL HW2 3838 2.935 5.484 4.571 -0.0964 0.6893 0.4093 + 1261SOL OW 3839 2.421 5.657 3.662 -0.6673 0.4300 -0.1872 + 1261SOL HW1 3840 2.374 5.582 3.624 0.5319 -0.3217 -0.3041 + 1261SOL HW2 3841 2.467 5.696 3.587 -0.1785 0.3984 0.0842 + 1262SOL OW 3842 4.886 5.334 1.640 0.0234 0.4370 0.2493 + 1262SOL HW1 3843 4.945 5.304 1.571 0.0250 -0.2477 0.5294 + 1262SOL HW2 3844 4.922 5.297 1.720 -0.5653 0.3211 0.4755 + 1263SOL OW 3845 2.904 5.278 4.810 0.3911 -0.8190 0.1707 + 1263SOL HW1 3846 2.929 5.356 4.859 -0.3342 -0.4469 -0.0240 + 1263SOL HW2 3847 2.979 5.220 4.817 1.7150 0.5572 -1.1357 + 1264SOL OW 3848 3.798 1.034 6.014 0.2951 0.0153 -0.0350 + 1264SOL HW1 3849 3.709 1.071 6.016 -0.6633 -2.0376 0.3311 + 1264SOL HW2 3850 3.810 1.005 5.924 0.4874 0.0368 -0.0169 + 1265SOL OW 3851 2.039 0.465 3.569 0.3099 0.4069 0.0181 + 1265SOL HW1 3852 2.121 0.426 3.599 0.0735 -0.8257 -0.7754 + 1265SOL HW2 3853 2.039 0.451 3.474 -0.2913 1.4661 -0.1692 + 1266SOL OW 3854 4.931 0.630 1.227 -0.0699 -0.5109 0.5135 + 1266SOL HW1 3855 4.885 0.693 1.172 0.7474 -0.5369 -0.2447 + 1266SOL HW2 3856 4.865 0.564 1.248 -0.6528 0.0128 0.3835 + 1267SOL OW 3857 5.798 5.413 2.853 0.7566 0.4023 -0.2100 + 1267SOL HW1 3858 5.797 5.336 2.796 0.2254 0.7931 -0.7554 + 1267SOL HW2 3859 5.890 5.423 2.879 0.8194 -0.4733 -0.0275 + 1268SOL OW 3860 0.885 0.705 3.480 -0.2267 0.3007 0.3995 + 1268SOL HW1 3861 0.903 0.616 3.508 -0.4219 0.0735 -0.1814 + 1268SOL HW2 3862 0.815 0.735 3.539 -0.9728 -0.3384 -0.1190 + 1269SOL OW 3863 4.135 0.792 -0.005 0.2981 -0.4094 -0.0028 + 1269SOL HW1 3864 4.109 0.795 0.087 1.5184 0.0835 0.3686 + 1269SOL HW2 3865 4.205 0.857 -0.012 -0.6713 0.6178 -1.6099 + 1270SOL OW 3866 2.529 1.164 1.277 -0.0963 0.4456 -0.4057 + 1270SOL HW1 3867 2.513 1.071 1.262 0.2965 0.1742 0.6679 + 1270SOL HW2 3868 2.544 1.201 1.190 0.2470 -0.5909 -0.8119 + 1271SOL OW 3869 0.614 0.250 3.418 0.2882 0.0282 -0.2379 + 1271SOL HW1 3870 0.575 0.250 3.331 0.7307 0.7996 -0.4640 + 1271SOL HW2 3871 0.639 0.342 3.432 0.3118 -0.1048 0.6608 + 1272SOL OW 3872 0.743 0.861 1.369 -0.2944 -0.2129 -0.3603 + 1272SOL HW1 3873 0.798 0.935 1.342 -0.7137 0.0232 -0.5934 + 1272SOL HW2 3874 0.731 0.874 1.463 -0.1884 -0.1046 -0.3606 + 1273SOL OW 3875 3.638 5.107 3.348 -0.7724 -0.0020 -0.0873 + 1273SOL HW1 3876 3.559 5.139 3.304 -0.6915 -0.1479 -0.3379 + 1273SOL HW2 3877 3.691 5.069 3.279 -0.5005 0.0508 0.0885 + 1274SOL OW 3878 2.320 0.367 2.226 1.1397 0.1136 0.3024 + 1274SOL HW1 3879 2.365 0.415 2.295 2.0244 -0.3805 0.1085 + 1274SOL HW2 3880 2.256 0.313 2.271 0.2647 1.2680 0.5424 + 1275SOL OW 3881 4.361 0.773 1.697 -1.0670 0.1358 -0.6429 + 1275SOL HW1 3882 4.355 0.761 1.792 0.8762 0.0147 -0.4550 + 1275SOL HW2 3883 4.407 0.695 1.666 0.2309 1.1004 -1.3327 + 1276SOL OW 3884 3.664 5.570 5.199 -1.0497 0.0575 -0.4072 + 1276SOL HW1 3885 3.722 5.502 5.166 -0.9212 -0.3077 0.5089 + 1276SOL HW2 3886 3.633 5.616 5.120 0.2340 0.0819 -0.9398 + 1277SOL OW 3887 2.770 1.351 5.188 -0.3541 -0.3615 -0.1081 + 1277SOL HW1 3888 2.856 1.340 5.228 -0.2111 -0.0335 -0.3148 + 1277SOL HW2 3889 2.758 1.446 5.183 0.1537 -0.3067 -1.8720 + 1278SOL OW 3890 1.333 5.867 3.670 0.2768 -0.0691 -0.8318 + 1278SOL HW1 3891 1.372 5.797 3.722 -1.1875 -0.3438 0.0148 + 1278SOL HW2 3892 1.359 5.947 3.716 -0.6708 -0.2869 0.1556 + 1279SOL OW 3893 0.461 0.285 3.651 0.1075 0.0156 -0.1436 + 1279SOL HW1 3894 0.524 0.246 3.591 0.4895 0.3083 0.0541 + 1279SOL HW2 3895 0.430 0.212 3.705 0.5689 -0.0746 0.0079 + 1280SOL OW 3896 4.394 0.003 0.996 0.3703 0.3121 -0.0280 + 1280SOL HW1 3897 4.433 -0.014 1.082 -1.3471 0.0076 0.7897 + 1280SOL HW2 3898 4.332 0.074 1.012 0.4336 0.6740 -1.1892 + 1281SOL OW 3899 3.361 5.407 3.057 0.7884 0.3630 -0.5140 + 1281SOL HW1 3900 3.292 5.420 3.123 1.4160 -0.2314 0.2966 + 1281SOL HW2 3901 3.362 5.489 3.008 0.4299 0.9164 0.3493 + 1282SOL OW 3902 4.205 5.820 1.697 0.3259 0.1540 0.2901 + 1282SOL HW1 3903 4.140 5.806 1.765 -0.1089 -0.2130 -0.1887 + 1282SOL HW2 3904 4.163 5.789 1.616 1.5434 -1.4091 0.1558 + 1283SOL OW 3905 5.181 0.098 2.017 -1.0224 -0.8169 0.1135 + 1283SOL HW1 3906 5.150 0.038 1.949 -0.4615 -1.4027 0.3535 + 1283SOL HW2 3907 5.246 0.048 2.065 -0.8857 -0.1670 0.6337 + 1284SOL OW 3908 2.898 0.276 4.805 -0.8706 0.2265 0.0883 + 1284SOL HW1 3909 2.928 0.329 4.879 -1.0456 -0.0214 0.3409 + 1284SOL HW2 3910 2.855 0.201 4.845 1.2236 -1.2946 -0.1473 + 1285SOL OW 3911 3.459 0.394 1.475 0.2935 -0.6036 0.0434 + 1285SOL HW1 3912 3.409 0.392 1.393 -0.0636 -1.1160 0.2624 + 1285SOL HW2 3913 3.514 0.472 1.468 -1.0152 0.3906 0.0663 + 1286SOL OW 3914 3.067 5.425 2.863 -0.1266 0.0082 -0.0787 + 1286SOL HW1 3915 2.994 5.365 2.847 -1.0709 1.0948 -0.1142 + 1286SOL HW2 3916 3.066 5.441 2.957 0.7028 -0.6795 0.0764 + 1287SOL OW 3917 3.511 5.032 1.784 -0.1917 0.0061 0.3662 + 1287SOL HW1 3918 3.599 5.000 1.765 -0.5881 -0.7805 -0.2406 + 1287SOL HW2 3919 3.518 5.127 1.776 0.3528 -0.0973 -0.8862 + 1288SOL OW 3920 1.424 5.142 3.136 -0.0343 -0.3682 0.2339 + 1288SOL HW1 3921 1.463 5.158 3.050 -0.3393 -0.1706 0.1338 + 1288SOL HW2 3922 1.464 5.059 3.165 0.2098 -0.3382 -0.0120 + 1289SOL OW 3923 5.828 0.621 1.038 -0.2364 -0.1601 0.4958 + 1289SOL HW1 3924 5.866 0.534 1.025 -0.4146 -0.1123 -0.5424 + 1289SOL HW2 3925 5.745 0.618 0.991 -0.3053 0.5299 0.5492 + 1290SOL OW 3926 2.080 5.742 3.087 0.6980 0.2566 0.3697 + 1290SOL HW1 3927 2.116 5.668 3.135 0.1457 -0.0345 0.3516 + 1290SOL HW2 3928 2.030 5.791 3.153 0.3274 0.1152 0.2011 + 1291SOL OW 3929 5.667 0.053 2.851 -0.3447 -0.3334 -0.1472 + 1291SOL HW1 3930 5.600 0.039 2.783 -0.1829 0.6430 -0.5524 + 1291SOL HW2 3931 5.727 -0.021 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1494SOL HW1 4539 1.887 1.299 2.140 -0.2446 0.4846 0.4849 + 1494SOL HW2 4540 1.911 1.419 2.230 -0.6235 0.6663 0.3480 + 1495SOL OW 4541 2.878 5.198 3.156 0.0200 -0.1295 -0.0054 + 1495SOL HW1 4542 2.870 5.148 3.237 0.5369 -0.4970 -0.1673 + 1495SOL HW2 4543 2.842 5.139 3.089 0.0685 -0.0376 -0.1124 + 1496SOL OW 4544 2.915 5.383 1.801 -0.0272 -0.0635 -0.0410 + 1496SOL HW1 4545 2.828 5.353 1.827 -0.1568 -0.0575 -0.4505 + 1496SOL HW2 4546 2.913 5.477 1.816 0.3556 -0.2119 1.1783 + 1497SOL OW 4547 1.031 4.923 2.565 0.2794 0.2235 -0.1957 + 1497SOL HW1 4548 1.107 4.960 2.520 0.3243 -0.4025 -0.6572 + 1497SOL HW2 4549 0.964 4.917 2.497 0.3346 -0.6961 -0.1925 + 1498SOL OW 4550 2.259 1.140 1.814 0.1759 -0.2166 0.4978 + 1498SOL HW1 4551 2.285 1.108 1.728 0.3230 -0.2840 0.5670 + 1498SOL HW2 4552 2.176 1.096 1.832 0.5731 -0.8892 0.7692 + 1499SOL OW 4553 3.484 0.912 3.322 -0.4305 -0.2440 -0.0053 + 1499SOL HW1 4554 3.444 0.905 3.408 0.4350 0.9536 0.5536 + 1499SOL HW2 4555 3.570 0.871 3.332 -0.4697 -0.4431 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-0.3321 -0.3562 -0.2309 + 1511SOL HW1 4590 0.501 5.311 2.981 -0.3095 -0.1669 -0.1937 + 1511SOL HW2 4591 0.423 5.341 2.855 -0.0039 1.7532 0.0203 + 1512SOL OW 4592 1.404 0.404 1.984 -0.0817 -0.1998 0.0441 + 1512SOL HW1 4593 1.451 0.464 1.926 -0.0446 -0.8882 -0.6802 + 1512SOL HW2 4594 1.394 0.452 2.066 0.8239 0.4118 -0.1762 + 1513SOL OW 4595 3.707 0.685 2.989 -0.0967 -0.4760 -0.0728 + 1513SOL HW1 4596 3.744 0.772 2.998 -0.8290 -0.0424 -0.9475 + 1513SOL HW2 4597 3.727 0.659 2.899 -0.9214 -0.6812 -0.2123 + 1514SOL OW 4598 4.733 5.535 1.299 -0.0776 -0.6857 -0.2614 + 1514SOL HW1 4599 4.672 5.581 1.242 0.3133 -0.7328 -0.7304 + 1514SOL HW2 4600 4.679 5.503 1.371 -0.5549 -0.5010 -0.5278 + 1515SOL OW 4601 0.839 0.377 1.314 -0.8624 0.2762 -0.3233 + 1515SOL HW1 4602 0.781 0.304 1.294 -0.4142 -0.4858 0.9510 + 1515SOL HW2 4603 0.915 0.364 1.257 -0.4356 -0.7495 0.4265 + 1516SOL OW 4604 2.422 1.160 5.547 0.1876 0.0382 -0.1422 + 1516SOL HW1 4605 2.418 1.214 5.626 0.6076 -0.4491 0.2241 + 1516SOL HW2 4606 2.512 1.169 5.516 0.4801 -0.9665 0.3226 + 1517SOL OW 4607 0.890 4.814 2.009 0.2546 -0.0063 -0.4250 + 1517SOL HW1 4608 0.930 4.828 1.923 0.2923 -0.4105 -0.4782 + 1517SOL HW2 4609 0.958 4.771 2.060 0.2688 0.3323 -0.1527 + 1518SOL OW 4610 3.866 4.938 2.566 0.1798 -0.0443 -0.3911 + 1518SOL HW1 4611 3.909 4.898 2.642 0.9215 0.4100 -0.5517 + 1518SOL HW2 4612 3.891 5.030 2.570 0.1447 0.0074 -1.1257 + 1519SOL OW 4613 1.314 5.906 4.328 0.4481 0.2151 -0.5840 + 1519SOL HW1 4614 1.309 5.999 4.349 0.5678 0.1117 -0.0385 + 1519SOL HW2 4615 1.358 5.868 4.404 -0.4741 -0.4322 -0.3374 + 1520SOL OW 4616 2.366 5.091 5.757 0.0261 -0.7638 0.3282 + 1520SOL HW1 4617 2.324 5.147 5.822 1.3262 1.4918 -0.5437 + 1520SOL HW2 4618 2.296 5.069 5.695 -0.4862 0.3761 0.4512 + 1521SOL OW 4619 2.451 0.455 4.004 0.4938 -0.2358 -0.5366 + 1521SOL HW1 4620 2.464 0.516 3.932 0.2543 -0.1080 -0.4762 + 1521SOL HW2 4621 2.414 0.509 4.075 0.1535 -0.4716 -0.5274 + 1522SOL OW 4622 3.391 5.932 0.571 -0.2100 -0.2208 -0.0446 + 1522SOL HW1 4623 3.330 5.870 0.530 -0.3835 -0.5989 0.7377 + 1522SOL HW2 4624 3.460 5.945 0.507 -1.3320 0.5931 -1.1768 + 1523SOL OW 4625 0.149 5.742 2.979 0.3175 -0.4992 0.4184 + 1523SOL HW1 4626 0.087 5.690 3.029 -0.0531 -0.5983 -0.1251 + 1523SOL HW2 4627 0.227 5.687 2.972 0.3029 -0.5579 0.7237 + 1524SOL OW 4628 4.038 5.859 3.031 0.2200 -0.1928 0.2385 + 1524SOL HW1 4629 4.015 5.947 3.001 0.8257 -0.1194 -0.0353 + 1524SOL HW2 4630 3.961 5.831 3.082 -0.2159 0.2621 -0.1409 + 1525SOL OW 4631 3.804 0.459 4.019 -0.3573 -0.9886 -0.1556 + 1525SOL HW1 4632 3.724 0.501 3.987 -0.0756 0.9590 1.3100 + 1525SOL HW2 4633 3.860 0.454 3.942 -0.6602 0.9506 -0.6248 + 1526SOL OW 4634 1.712 5.608 2.534 -0.0219 0.0416 -0.0920 + 1526SOL HW1 4635 1.803 5.639 2.540 0.1597 -0.4592 -0.1670 + 1526SOL HW2 4636 1.668 5.674 2.480 0.3940 0.0756 -0.4017 + 1527SOL OW 4637 4.564 5.677 1.130 0.5928 -0.2789 0.0907 + 1527SOL HW1 4638 4.489 5.727 1.161 0.3966 -1.0478 0.9501 + 1527SOL HW2 4639 4.637 5.738 1.132 0.2535 0.1271 0.5500 + 1528SOL OW 4640 4.902 5.811 0.792 -0.9251 0.0059 -0.1256 + 1528SOL HW1 4641 4.865 5.803 0.704 -0.3951 0.2485 -0.3775 + 1528SOL HW2 4642 4.988 5.851 0.779 -0.8727 0.1295 0.5112 + 1529SOL OW 4643 2.573 5.100 3.191 0.1283 -0.0211 0.1338 + 1529SOL HW1 4644 2.641 5.076 3.254 0.3047 -0.1828 -0.1107 + 1529SOL HW2 4645 2.603 5.061 3.109 -0.2022 0.0087 -0.0026 + 1530SOL OW 4646 5.260 5.716 3.042 0.0432 -0.7199 -0.1338 + 1530SOL HW1 4647 5.182 5.765 3.067 0.2278 -0.6352 0.3106 + 1530SOL HW2 4648 5.229 5.652 2.978 -0.3740 -0.6333 -0.0254 + 1531SOL OW 4649 1.496 0.859 1.001 0.3061 -0.2002 -0.4438 + 1531SOL HW1 4650 1.575 0.804 1.002 0.2983 -0.2257 0.7048 + 1531SOL HW2 4651 1.503 0.913 1.079 -0.5589 0.2003 -0.6193 + 1532SOL OW 4652 1.227 5.394 3.829 0.4959 0.0484 -0.4179 + 1532SOL HW1 4653 1.204 5.342 3.752 -0.9030 -0.0143 -0.0066 + 1532SOL HW2 4654 1.251 5.330 3.896 -0.5066 -0.0512 -0.1349 + 1533SOL OW 4655 3.812 0.156 5.786 0.1060 -0.5194 0.0599 + 1533SOL HW1 4656 3.858 0.194 5.861 0.9429 -1.0659 -0.1445 + 1533SOL HW2 4657 3.732 0.120 5.823 0.1839 -0.1946 0.5678 + 1534SOL OW 4658 3.014 0.515 3.666 -1.0598 0.1494 0.0849 + 1534SOL HW1 4659 2.970 0.575 3.605 -1.5965 -0.3031 0.0121 + 1534SOL HW2 4660 3.033 0.437 3.614 0.2772 0.4929 -0.0092 + 1535SOL OW 4661 0.051 6.000 1.010 0.2142 -0.5051 0.0940 + 1535SOL HW1 4662 0.086 5.913 0.991 0.2275 -0.4340 -0.2204 + 1535SOL HW2 4663 -0.035 6.001 0.969 0.7956 0.1311 -1.2411 + 1536SOL OW 4664 2.434 1.210 5.838 0.2007 -0.1656 -0.3799 + 1536SOL HW1 4665 2.511 1.227 5.893 -0.5691 -0.4163 0.8491 + 1536SOL HW2 4666 2.364 1.262 5.877 -0.5671 -0.9243 -0.6779 + 1537SOL OW 4667 1.066 5.890 5.991 0.0096 0.0161 0.1798 + 1537SOL HW1 4668 1.156 5.861 6.006 0.1073 0.1615 -0.1205 + 1537SOL HW2 4669 1.068 5.934 5.906 -0.2662 0.3516 0.3415 + 1538SOL OW 4670 1.772 0.431 5.872 -0.0167 0.6859 -0.0415 + 1538SOL HW1 4671 1.698 0.485 5.843 -0.6099 0.0415 0.2022 + 1538SOL HW2 4672 1.770 0.354 5.815 0.1826 0.4502 0.2595 + 1539SOL OW 4673 0.975 5.807 4.907 0.2309 0.2258 0.1517 + 1539SOL HW1 4674 1.030 5.729 4.918 1.3201 0.7741 -0.9250 + 1539SOL HW2 4675 0.985 5.830 4.814 -0.9507 1.0253 0.1841 + 1540SOL OW 4676 0.425 5.693 2.352 -0.0899 0.4337 0.0688 + 1540SOL HW1 4677 0.396 5.631 2.420 0.4837 0.0902 0.0205 + 1540SOL HW2 4678 0.520 5.697 2.364 -0.0412 0.7468 -0.4026 + 1541SOL OW 4679 1.601 5.448 1.532 -0.4122 0.6270 0.3977 + 1541SOL HW1 4680 1.630 5.537 1.512 1.3810 0.0511 0.1153 + 1541SOL HW2 4681 1.591 5.407 1.446 0.0258 0.2015 0.5473 + 1542SOL OW 4682 3.263 0.733 2.034 0.5948 0.5163 -0.6389 + 1542SOL HW1 4683 3.301 0.654 1.996 0.3733 0.0735 0.0169 + 1542SOL HW2 4684 3.198 0.762 1.970 -0.4476 -0.7520 -0.2391 + 1543SOL OW 4685 1.754 0.405 3.556 0.0215 -0.2982 -0.2495 + 1543SOL HW1 4686 1.844 0.405 3.591 0.0513 0.2483 -0.3006 + 1543SOL HW2 4687 1.751 0.330 3.497 0.8034 0.3137 -1.1188 + 1544SOL OW 4688 2.687 5.595 0.628 -0.2803 -0.3934 -0.1441 + 1544SOL HW1 4689 2.728 5.679 0.607 -0.3750 -0.2495 0.2338 + 1544SOL HW2 4690 2.658 5.560 0.543 1.5521 -1.0156 -0.6152 + 1545SOL OW 4691 3.541 1.143 5.987 -0.2387 0.5503 -0.5276 + 1545SOL HW1 4692 3.468 1.144 6.048 -0.4573 0.1658 -0.7709 + 1545SOL HW2 4693 3.500 1.142 5.900 0.0447 0.1260 -0.6638 + 1546SOL OW 4694 3.177 5.113 4.498 0.1426 -0.5988 -0.2076 + 1546SOL HW1 4695 3.162 5.140 4.407 0.0533 -0.3280 -0.1142 + 1546SOL HW2 4696 3.261 5.151 4.521 0.0271 -0.4191 -0.0827 + 1547SOL OW 4697 1.881 1.367 2.859 0.4601 -0.2165 -0.1172 + 1547SOL HW1 4698 1.845 1.322 2.782 -0.0221 -0.7758 0.4167 + 1547SOL HW2 4699 1.823 1.441 2.873 0.2076 -0.4427 0.0429 + 1548SOL OW 4700 4.175 1.561 1.986 -0.4718 -0.5000 0.5681 + 1548SOL HW1 4701 4.260 1.564 2.030 -0.6510 -0.4675 0.9165 + 1548SOL HW2 4702 4.193 1.513 1.905 0.0155 0.0704 0.3195 + 1549SOL OW 4703 1.974 4.712 1.682 0.6635 -0.7042 -0.0798 + 1549SOL HW1 4704 1.887 4.752 1.684 0.7259 -0.5678 -0.0518 + 1549SOL HW2 4705 1.964 4.636 1.625 0.7357 -0.1894 -0.7998 + 1550SOL OW 4706 1.737 0.687 2.521 0.2649 0.6386 -0.2176 + 1550SOL HW1 4707 1.739 0.613 2.460 -1.2711 0.0941 0.3017 + 1550SOL HW2 4708 1.823 0.686 2.562 0.1079 -1.3476 0.2868 + 1551SOL OW 4709 2.567 0.780 3.118 -0.3564 -0.4129 0.1197 + 1551SOL HW1 4710 2.520 0.833 3.182 -1.1078 -1.5806 0.5984 + 1551SOL HW2 4711 2.515 0.787 3.038 -0.8340 -0.9261 0.3733 + 1552SOL OW 4712 4.534 0.057 2.330 0.1355 0.0546 0.0451 + 1552SOL HW1 4713 4.438 0.064 2.328 0.1352 0.0734 0.1195 + 1552SOL HW2 4714 4.563 0.105 2.253 0.0555 -0.4763 -0.3300 + 1553SOL OW 4715 1.255 1.226 2.407 0.2079 0.1877 0.2836 + 1553SOL HW1 4716 1.334 1.204 2.457 0.3539 0.2712 0.0938 + 1553SOL HW2 4717 1.279 1.304 2.357 0.4617 -0.5425 -0.8132 + 1554SOL OW 4718 1.482 5.678 2.672 -0.5070 -0.3570 -0.2650 + 1554SOL HW1 4719 1.535 5.678 2.592 -0.0157 -1.4493 0.0190 + 1554SOL HW2 4720 1.536 5.724 2.737 -0.8991 0.5156 -0.5317 + 1555SOL OW 4721 3.146 5.231 0.513 -0.0413 0.4186 -0.3019 + 1555SOL HW1 4722 3.209 5.211 0.444 0.0598 0.1111 -0.1233 + 1555SOL HW2 4723 3.195 5.220 0.594 -0.3879 -0.0758 -0.1528 + 1556SOL OW 4724 0.396 5.925 1.240 0.5029 0.4664 0.5297 + 1556SOL HW1 4725 0.378 5.838 1.275 -0.1997 0.5175 0.3252 + 1556SOL HW2 4726 0.473 5.913 1.185 -0.5477 -0.4426 -0.9102 + 1557SOL OW 4727 2.084 0.588 0.575 -0.0786 0.2789 0.3500 + 1557SOL HW1 4728 2.144 0.653 0.539 -0.1540 0.2680 0.2019 + 1557SOL HW2 4729 2.107 0.583 0.668 -0.3010 0.7718 0.4410 + 1558SOL OW 4730 3.413 0.766 3.575 -0.1864 -0.3828 -0.2415 + 1558SOL HW1 4731 3.490 0.712 3.592 -0.1528 -0.6905 -1.2641 + 1558SOL HW2 4732 3.339 0.706 3.586 -0.2597 -0.2103 0.2524 + 1559SOL OW 4733 3.525 0.411 2.482 -0.2235 -0.2832 -0.1342 + 1559SOL HW1 4734 3.597 0.470 2.459 -0.5562 -0.1436 -0.8677 + 1559SOL HW2 4735 3.501 0.370 2.400 -1.0680 -0.2386 0.0776 + 1560SOL OW 4736 3.532 0.955 2.302 -0.2108 -0.2611 0.2223 + 1560SOL HW1 4737 3.484 1.028 2.341 -0.9841 -0.9613 0.6432 + 1560SOL HW2 4738 3.506 0.955 2.210 0.2695 0.3437 0.0723 + 1561SOL OW 4739 3.170 0.833 4.818 -0.3165 0.2198 -0.1346 + 1561SOL HW1 4740 3.134 0.835 4.907 0.5786 1.0071 0.2575 + 1561SOL HW2 4741 3.241 0.770 4.823 0.0879 0.6616 -0.1146 + 1562SOL OW 4742 5.681 0.632 2.774 -0.3475 -0.3048 0.5240 + 1562SOL HW1 4743 5.639 0.596 2.852 -1.0052 -0.7921 -0.0355 + 1562SOL HW2 4744 5.644 0.582 2.701 0.1073 0.2626 -0.1206 + 1563SOL OW 4745 2.639 5.613 5.442 0.0397 0.4779 0.1591 + 1563SOL HW1 4746 2.587 5.547 5.396 0.4234 0.0207 0.3606 + 1563SOL HW2 4747 2.723 5.570 5.457 0.3922 1.1136 0.0591 + 1564SOL OW 4748 3.080 5.633 1.162 -0.0053 -0.0213 0.3302 + 1564SOL HW1 4749 3.093 5.727 1.172 -0.9632 0.1570 0.1682 + 1564SOL HW2 4750 3.134 5.593 1.230 0.9606 0.5880 -0.0362 + 1565SOL OW 4751 1.713 5.768 3.866 -0.4284 -0.5787 -0.6284 + 1565SOL HW1 4752 1.769 5.717 3.925 0.1085 0.1378 -0.4827 + 1565SOL HW2 4753 1.648 5.809 3.923 0.4800 0.6407 -0.3608 + 1566SOL OW 4754 2.357 0.815 5.019 -0.3149 0.3300 0.6028 + 1566SOL HW1 4755 2.379 0.893 5.070 -0.1875 1.2022 -0.7124 + 1566SOL HW2 4756 2.305 0.847 4.945 -0.2976 -0.8365 0.0342 + 1567SOL OW 4757 3.092 0.516 5.041 0.2138 -0.2693 0.3365 + 1567SOL HW1 4758 3.107 0.610 5.049 -0.2351 -0.1865 0.2592 + 1567SOL HW2 4759 3.010 0.509 4.992 0.1261 -0.6965 0.5352 + 1568SOL OW 4760 3.750 5.459 3.390 -0.2817 -0.2396 0.0233 + 1568SOL HW1 4761 3.662 5.475 3.422 -0.3907 0.2562 -0.4951 + 1568SOL HW2 4762 3.783 5.388 3.445 -0.7801 -0.0242 0.6229 + 1569SOL OW 4763 0.068 0.405 0.721 -0.4021 0.2684 -0.1034 + 1569SOL HW1 4764 0.126 0.481 0.715 -0.3923 0.2356 -0.4885 + 1569SOL HW2 4765 0.091 0.352 0.645 1.2646 -1.3255 1.3112 + 1570SOL OW 4766 3.561 5.692 0.859 -0.0648 -0.2084 0.0383 + 1570SOL HW1 4767 3.610 5.662 0.782 -0.0705 1.2513 -0.6119 + 1570SOL HW2 4768 3.470 5.673 0.839 0.0217 -0.7371 0.1409 + 1571SOL OW 4769 2.883 0.644 2.120 -0.0432 0.2825 -0.5013 + 1571SOL HW1 4770 2.965 0.692 2.114 0.5769 -0.5844 0.3361 + 1571SOL HW2 4771 2.858 0.651 2.212 -1.0438 0.7142 -0.7859 + 1572SOL OW 4772 2.170 5.427 2.008 0.4453 -0.3600 -0.1675 + 1572SOL HW1 4773 2.186 5.509 2.056 -0.5144 0.1701 -0.6901 + 1572SOL HW2 4774 2.218 5.439 1.925 0.2850 -0.3137 -0.2539 + 1573SOL OW 4775 1.350 4.978 1.948 -0.1703 -0.4271 0.4704 + 1573SOL HW1 4776 1.313 4.907 1.895 0.5391 -0.6651 0.2623 + 1573SOL HW2 4777 1.283 4.997 2.013 -1.1509 -0.0185 -0.5860 + 1574SOL OW 4778 5.210 0.623 1.629 -0.0500 -0.5567 0.4420 + 1574SOL HW1 4779 5.120 0.652 1.645 0.1934 0.2740 0.3902 + 1574SOL HW2 4780 5.218 0.621 1.534 -0.0553 -0.7845 0.4450 + 1575SOL OW 4781 3.103 4.906 0.310 -0.2019 0.2786 -0.0954 + 1575SOL HW1 4782 3.156 4.826 0.308 0.4483 0.6989 -0.5742 + 1575SOL HW2 4783 3.141 4.958 0.380 -0.4727 0.2730 0.0570 + 1576SOL OW 4784 1.717 5.770 3.403 -0.1124 0.3802 0.3984 + 1576SOL HW1 4785 1.717 5.684 3.360 -0.4817 0.3148 0.5214 + 1576SOL HW2 4786 1.625 5.784 3.427 0.1050 0.3264 1.3283 + 1577SOL OW 4787 2.244 5.843 5.075 0.1626 0.2088 0.4611 + 1577SOL HW1 4788 2.234 5.772 5.012 0.6211 0.0625 0.5440 + 1577SOL HW2 4789 2.166 5.838 5.130 -0.0699 0.1153 0.1325 + 1578SOL OW 4790 3.876 1.363 1.576 0.5662 -0.1239 -0.1119 + 1578SOL HW1 4791 3.969 1.373 1.596 0.5781 -0.5015 0.0448 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-0.0940 + 1584SOL HW1 4809 3.929 0.139 3.080 -0.0831 -0.4903 0.0857 + 1584SOL HW2 4810 3.911 0.169 2.932 -0.1087 -0.0519 0.1765 + 1585SOL OW 4811 4.356 6.017 1.603 -0.5882 -0.4713 0.2023 + 1585SOL HW1 4812 4.297 5.959 1.651 0.2397 -1.0995 0.4982 + 1585SOL HW2 4813 4.442 5.999 1.639 -0.2490 0.7204 0.0626 + 1586SOL OW 4814 0.560 1.300 3.020 -0.0954 0.0760 -0.1827 + 1586SOL HW1 4815 0.631 1.329 3.077 0.5725 0.3737 -1.1225 + 1586SOL HW2 4816 0.488 1.281 3.080 0.7955 -0.3442 0.8170 + 1587SOL OW 4817 0.585 0.373 1.510 -0.2039 -0.2102 -0.6724 + 1587SOL HW1 4818 0.640 0.312 1.460 -0.3997 -0.7861 -0.2100 + 1587SOL HW2 4819 0.608 0.459 1.476 -0.7646 -0.5989 -2.2223 + 1588SOL OW 4820 1.286 4.943 2.887 0.3663 -0.2857 -0.6870 + 1588SOL HW1 4821 1.361 4.989 2.924 -0.3118 0.2009 0.1431 + 1588SOL HW2 4822 1.272 4.868 2.945 0.2814 -0.4352 -0.8985 + 1589SOL OW 4823 1.599 1.051 2.947 -0.3702 -0.1052 0.3513 + 1589SOL HW1 4824 1.586 1.145 2.934 1.3734 0.0904 -0.6026 + 1589SOL HW2 4825 1.602 1.041 3.042 -0.9896 0.7271 0.4821 + 1590SOL OW 4826 2.267 5.116 3.510 0.3011 -0.0236 0.3962 + 1590SOL HW1 4827 2.194 5.178 3.517 0.5376 0.1566 1.5524 + 1590SOL HW2 4828 2.290 5.095 3.600 1.4085 -0.4219 0.0512 + 1591SOL OW 4829 4.947 0.291 2.010 -0.6054 0.1974 -0.0370 + 1591SOL HW1 4830 4.898 0.267 2.089 -0.2216 0.4814 0.3004 + 1591SOL HW2 4831 5.026 0.237 2.013 -0.8121 -0.1396 -0.4882 + 1592SOL OW 4832 2.461 -0.018 5.639 -0.2918 0.1705 0.1324 + 1592SOL HW1 4833 2.432 0.047 5.703 0.3087 0.5599 0.0285 + 1592SOL HW2 4834 2.502 0.033 5.570 0.3367 -0.3163 0.1220 + 1593SOL OW 4835 3.127 1.491 1.499 -0.5749 0.0008 0.1028 + 1593SOL HW1 4836 3.059 1.521 1.438 -0.6429 -0.5892 -0.1186 + 1593SOL HW2 4837 3.209 1.507 1.451 -0.6480 -0.9044 -0.3653 + 1594SOL OW 4838 4.633 0.402 0.715 0.0101 0.4525 0.7537 + 1594SOL HW1 4839 4.673 0.488 0.703 1.2321 -0.1919 -0.2299 + 1594SOL HW2 4840 4.694 0.355 0.772 0.1531 -0.2398 0.0539 + 1595SOL OW 4841 3.475 5.577 2.836 0.1273 -0.5046 0.3865 + 1595SOL HW1 4842 3.565 5.552 2.813 0.5531 -0.0708 1.4692 + 1595SOL HW2 4843 3.475 5.672 2.830 -0.3065 -0.5082 0.2870 + 1596SOL OW 4844 2.686 1.153 0.781 0.5895 0.2609 -0.0656 + 1596SOL HW1 4845 2.754 1.208 0.742 0.5190 0.9781 0.7657 + 1596SOL HW2 4846 2.603 1.189 0.748 0.5747 -0.3469 -0.7427 + 1597SOL OW 4847 1.435 0.979 1.861 0.2480 -0.0668 -0.0763 + 1597SOL HW1 4848 1.386 1.061 1.859 -0.1833 -0.3148 0.2002 + 1597SOL HW2 4849 1.523 1.005 1.889 0.0613 0.2751 0.2064 + 1598SOL OW 4850 1.735 4.834 1.990 0.5384 0.5706 0.1540 + 1598SOL HW1 4851 1.720 4.812 1.898 0.6323 -0.1467 0.2996 + 1598SOL HW2 4852 1.806 4.898 1.988 1.5554 -0.5050 -0.2174 + 1599SOL OW 4853 2.881 5.479 5.572 -0.3157 -0.0854 -0.6170 + 1599SOL HW1 4854 2.893 5.425 5.495 0.7304 0.0205 -0.5539 + 1599SOL HW2 4855 2.961 5.532 5.578 -0.7582 0.5633 0.0271 + 1600SOL OW 4856 0.680 5.965 3.868 -0.0858 -0.2775 -0.1416 + 1600SOL HW1 4857 0.750 5.993 3.927 -0.5459 0.3219 0.1512 + 1600SOL HW2 4858 0.722 5.955 3.783 0.3816 -0.0649 0.0591 + 1601SOL OW 4859 1.851 5.350 2.802 0.0980 0.2793 -0.3194 + 1601SOL HW1 4860 1.846 5.347 2.897 1.3575 -1.4216 -0.2162 + 1601SOL HW2 4861 1.767 5.314 2.772 0.2740 -0.6306 0.2282 + 1602SOL OW 4862 2.135 1.351 2.772 0.2116 0.3583 -0.1356 + 1602SOL HW1 4863 2.191 1.420 2.807 0.1964 0.1831 0.2368 + 1602SOL HW2 4864 2.055 1.357 2.823 -0.4217 1.0749 -1.1318 + 1603SOL OW 4865 1.992 1.555 0.220 -0.2551 0.4274 -0.2575 + 1603SOL HW1 4866 1.983 1.483 0.158 -0.6622 -0.0468 0.3291 + 1603SOL HW2 4867 1.941 1.626 0.182 0.2376 0.4636 -0.8949 + 1604SOL OW 4868 1.698 0.731 4.524 -0.3268 -0.1451 -0.2337 + 1604SOL HW1 4869 1.681 0.780 4.605 -0.5942 0.2822 -0.5383 + 1604SOL HW2 4870 1.772 0.675 4.546 0.2136 0.6325 0.0480 + 1605SOL OW 4871 2.090 4.761 2.286 -0.2579 0.5402 0.0183 + 1605SOL HW1 4872 1.996 4.779 2.290 -0.2830 0.3568 1.2572 + 1605SOL HW2 4873 2.105 4.728 2.198 -1.4041 0.3452 -0.1304 + 1606SOL OW 4874 3.274 0.528 3.776 0.1791 0.5280 0.0557 + 1606SOL HW1 4875 3.188 0.544 3.737 -0.0570 -1.5046 -0.4646 + 1606SOL HW2 4876 3.255 0.504 3.867 0.2713 0.6865 0.1186 + 1607SOL OW 4877 2.959 0.514 3.944 0.4015 0.3216 -0.0091 + 1607SOL HW1 4878 3.044 0.470 3.949 0.0365 -0.5720 -0.9217 + 1607SOL HW2 4879 2.941 0.519 3.850 -0.7457 0.0960 0.1783 + 1608SOL OW 4880 0.385 0.624 3.024 0.2269 0.1910 -0.1821 + 1608SOL HW1 4881 0.454 0.681 3.056 -0.1478 0.6586 -0.1815 + 1608SOL HW2 4882 0.308 0.647 3.076 0.0614 -0.3006 -0.1996 + 1609SOL OW 4883 3.448 5.095 2.441 0.4851 0.0416 1.0584 + 1609SOL HW1 4884 3.519 5.032 2.426 0.6810 0.5364 -0.5141 + 1609SOL HW2 4885 3.493 5.174 2.471 0.5844 0.2338 0.4365 + 1610SOL OW 4886 3.002 0.765 1.088 0.1369 0.3779 -0.2077 + 1610SOL HW1 4887 2.946 0.824 1.037 -0.0665 0.5214 0.1726 + 1610SOL HW2 4888 2.941 0.707 1.133 0.3409 -0.2130 -0.6741 + 1611SOL OW 4889 5.454 0.083 0.915 0.3538 -0.3060 0.2506 + 1611SOL HW1 4890 5.444 -0.004 0.954 0.7485 -0.4725 -0.0022 + 1611SOL HW2 4891 5.525 0.123 0.966 -0.4491 0.2511 0.9977 + 1612SOL OW 4892 4.344 0.281 1.792 -0.4156 0.2182 -0.2276 + 1612SOL HW1 4893 4.327 0.239 1.708 -0.4597 -2.1892 0.8265 + 1612SOL HW2 4894 4.438 0.269 1.806 -0.5530 -0.2637 0.4051 + 1613SOL OW 4895 2.014 0.346 1.511 -0.1209 0.4980 0.3106 + 1613SOL HW1 4896 1.985 0.278 1.571 -0.5481 -0.1548 -0.5878 + 1613SOL HW2 4897 2.107 0.359 1.533 -0.1836 0.0631 0.8937 + 1614SOL OW 4898 3.467 5.397 5.324 0.1591 0.0490 0.4349 + 1614SOL HW1 4899 3.510 5.389 5.409 -0.0763 1.0680 0.6813 + 1614SOL HW2 4900 3.532 5.439 5.268 0.3031 -0.5951 0.1074 + 1615SOL OW 4901 0.362 0.809 2.086 0.0252 -0.1595 -0.1503 + 1615SOL HW1 4902 0.340 0.754 2.161 0.1847 0.4632 0.3703 + 1615SOL HW2 4903 0.346 0.899 2.116 0.3038 0.1193 -0.7914 + 1616SOL OW 4904 3.317 1.377 1.731 -0.2939 -0.1922 -0.5040 + 1616SOL HW1 4905 3.284 1.437 1.665 0.4645 0.6314 -0.1801 + 1616SOL HW2 4906 3.400 1.346 1.696 0.0197 0.0966 -0.0483 + 1617SOL OW 4907 1.907 1.450 2.422 -0.0265 0.0731 -0.2196 + 1617SOL HW1 4908 1.992 1.431 2.461 0.2243 1.1109 -0.2002 + 1617SOL HW2 4909 1.854 1.481 2.495 -0.3381 -0.2763 -0.2898 + 1618SOL OW 4910 1.720 5.224 3.765 -0.0123 0.6516 0.1710 + 1618SOL HW1 4911 1.671 5.306 3.759 -0.1696 0.5372 -0.1804 + 1618SOL HW2 4912 1.733 5.197 3.674 -0.8109 -0.1992 0.2726 + 1619SOL OW 4913 1.346 5.537 4.779 1.0686 0.2848 0.2202 + 1619SOL HW1 4914 1.290 5.557 4.704 0.0763 1.4896 1.1792 + 1619SOL HW2 4915 1.411 5.475 4.745 -0.9767 -1.4939 -0.9339 + 1620SOL OW 4916 0.411 0.444 2.666 -0.3047 -0.3887 0.3856 + 1620SOL HW1 4917 0.473 0.379 2.698 -0.1505 -0.3831 0.1059 + 1620SOL HW2 4918 0.358 0.397 2.602 0.5779 0.0200 -0.7259 + 1621SOL OW 4919 3.078 1.353 1.866 0.1642 -0.0089 -0.3396 + 1621SOL HW1 4920 3.020 1.410 1.816 -0.3205 -0.1690 0.0215 + 1621SOL HW2 4921 3.166 1.386 1.848 -0.1011 0.9327 -0.0574 + 1622SOL OW 4922 3.744 0.352 2.963 -0.0124 -0.0914 -0.1242 + 1622SOL HW1 4923 3.839 0.364 2.968 -0.0179 0.6279 -1.0726 + 1622SOL HW2 4924 3.731 0.289 2.892 -0.2559 0.4603 -0.5837 + 1623SOL OW 4925 1.763 5.012 2.495 -0.7925 0.0788 -0.5444 + 1623SOL HW1 4926 1.777 4.918 2.491 -1.1039 -0.0235 0.3926 + 1623SOL HW2 4927 1.813 5.047 2.421 -0.9424 -0.8394 -1.1068 + 1624SOL OW 4928 1.172 0.336 1.857 0.1454 0.9804 0.0398 + 1624SOL HW1 4929 1.127 0.398 1.914 0.8073 0.7481 0.8485 + 1624SOL HW2 4930 1.261 0.331 1.891 0.1715 -0.2752 -0.1073 + 1625SOL OW 4931 3.999 0.172 0.051 0.4944 -0.4145 0.7710 + 1625SOL HW1 4932 4.022 0.253 0.004 -0.4552 -0.7416 -0.3398 + 1625SOL HW2 4933 3.927 0.198 0.109 0.0258 -0.4750 0.2401 + 1626SOL OW 4934 3.563 5.135 0.151 -0.0423 -0.1831 0.2887 + 1626SOL HW1 4935 3.533 5.188 0.076 -0.4844 0.2707 0.7705 + 1626SOL HW2 4936 3.647 5.174 0.175 -0.0934 -0.0655 0.2801 + 1627SOL OW 4937 1.011 0.134 0.708 -0.5569 -0.8023 0.7184 + 1627SOL HW1 4938 1.026 0.055 0.656 -0.1293 -0.2490 -0.0456 + 1627SOL HW2 4939 0.939 0.179 0.663 0.0678 -0.1294 0.3463 + 1628SOL OW 4940 1.782 0.091 1.369 0.2151 0.1869 -0.3667 + 1628SOL HW1 4941 1.836 0.019 1.402 -0.1713 -0.0170 -0.1570 + 1628SOL HW2 4942 1.844 0.161 1.350 0.4662 0.3549 0.8824 + 1629SOL OW 4943 3.765 0.585 5.522 -0.2744 0.6700 -0.4047 + 1629SOL HW1 4944 3.735 0.500 5.553 -1.6028 0.9590 -0.7848 + 1629SOL HW2 4945 3.837 0.565 5.462 0.2560 -0.0769 0.4259 + 1630SOL OW 4946 1.982 0.546 2.623 0.4317 0.0572 -0.3387 + 1630SOL HW1 4947 1.981 0.516 2.713 -0.6936 0.7808 -0.0790 + 1630SOL HW2 4948 2.038 0.483 2.578 1.7872 0.1912 1.0084 + 1631SOL OW 4949 4.759 1.215 1.895 -0.1873 0.0438 -0.2911 + 1631SOL HW1 4950 4.847 1.236 1.864 -0.2741 0.5942 -0.1764 + 1631SOL HW2 4951 4.725 1.152 1.831 -0.2523 0.9231 -1.1735 + 1632SOL OW 4952 1.748 5.665 2.976 -0.0591 -0.1014 0.0571 + 1632SOL HW1 4953 1.762 5.759 2.972 0.1420 -0.1307 0.0081 + 1632SOL HW2 4954 1.738 5.646 3.070 0.6974 -0.1343 0.1438 + 1633SOL OW 4955 1.012 0.079 3.435 0.3484 0.2984 -0.2508 + 1633SOL HW1 4956 1.050 0.167 3.438 0.5962 0.1938 -0.3022 + 1633SOL HW2 4957 1.017 0.048 3.526 0.2929 0.3206 -0.2395 + 1634SOL OW 4958 4.560 5.773 1.468 0.8181 -0.3104 -0.0772 + 1634SOL HW1 4959 4.577 5.837 1.538 -0.1252 0.2854 -0.3568 + 1634SOL HW2 4960 4.510 5.703 1.511 0.4738 -0.0762 -0.0893 + 1635SOL OW 4961 3.061 5.515 0.909 0.2806 -0.1625 -0.4272 + 1635SOL HW1 4962 3.127 5.448 0.929 -0.2003 -0.8867 -1.1164 + 1635SOL HW2 4963 3.052 5.565 0.989 0.6388 -0.9565 0.1356 + 1636SOL OW 4964 0.886 5.230 0.664 -0.0783 -0.6514 -0.7085 + 1636SOL HW1 4965 0.868 5.320 0.693 0.3625 -0.6328 -0.4807 + 1636SOL HW2 4966 0.815 5.210 0.603 0.1141 0.0456 -1.1844 + 1637SOL OW 4967 1.114 0.406 1.172 -0.1707 -0.2456 0.4561 + 1637SOL HW1 4968 1.095 0.465 1.099 2.0825 0.1542 0.0259 + 1637SOL HW2 4969 1.096 0.318 1.138 0.9993 -0.0828 -0.7437 + 1638SOL OW 4970 1.739 0.577 5.167 -0.2821 -0.2794 0.0314 + 1638SOL HW1 4971 1.802 0.515 5.204 0.2132 0.1336 -0.0998 + 1638SOL HW2 4972 1.749 0.567 5.072 -0.7106 -0.5009 0.0059 + 1639SOL OW 4973 1.892 0.540 4.533 -0.2214 -0.1339 0.3507 + 1639SOL HW1 4974 1.952 0.471 4.559 0.8492 0.2304 -0.9342 + 1639SOL HW2 4975 1.943 0.596 4.475 -1.7533 0.2928 -0.7266 + 1640SOL OW 4976 0.908 0.235 0.081 -0.0516 0.7237 0.8980 + 1640SOL HW1 4977 0.913 0.330 0.084 1.2445 0.6926 0.8562 + 1640SOL HW2 4978 0.920 0.213 -0.011 0.0976 0.5170 0.9635 + 1641SOL OW 4979 1.647 0.293 3.965 0.4110 -0.0946 0.4901 + 1641SOL HW1 4980 1.593 0.323 3.892 0.3133 -0.3284 0.4630 + 1641SOL HW2 4981 1.716 0.359 3.973 0.9259 -0.4879 -0.3655 + 1642SOL OW 4982 1.929 5.718 2.304 -0.0700 -0.5491 -0.3294 + 1642SOL HW1 4983 1.893 5.632 2.328 -0.8658 0.0427 0.7678 + 1642SOL HW2 4984 1.947 5.711 2.210 -1.8392 -1.3544 -0.6939 + 1643SOL OW 4985 3.948 5.197 2.540 0.3553 0.3066 -0.2082 + 1643SOL HW1 4986 3.905 5.281 2.552 -0.2121 0.0346 -0.3038 + 1643SOL HW2 4987 3.968 5.194 2.446 0.0460 0.1804 -0.2712 + 1644SOL OW 4988 1.014 5.223 2.353 0.3851 -0.5423 0.1341 + 1644SOL HW1 4989 1.024 5.131 2.377 0.2267 -0.4834 0.4408 + 1644SOL HW2 4990 0.942 5.225 2.291 0.7607 -0.6913 -0.3172 + 1645SOL OW 4991 1.305 5.173 1.594 0.2661 -0.4434 -0.6903 + 1645SOL HW1 4992 1.226 5.197 1.644 0.7165 -1.1617 0.4470 + 1645SOL HW2 4993 1.373 5.230 1.628 0.5438 -0.8115 -0.6198 + 1646SOL OW 4994 3.641 5.163 0.567 -0.1968 -0.4595 0.2604 + 1646SOL HW1 4995 3.686 5.189 0.486 -0.9734 -0.2684 -0.1209 + 1646SOL HW2 4996 3.624 5.245 0.613 -0.2941 -0.5208 0.3337 + 1647SOL OW 4997 2.257 5.592 2.433 0.4425 -1.0900 0.3277 + 1647SOL HW1 4998 2.169 5.569 2.463 0.1893 -0.2183 0.3338 + 1647SOL HW2 4999 2.291 5.647 2.504 -0.2425 1.1966 -0.9010 + 1648SOL OW 5000 1.186 5.157 3.682 -0.2021 0.0215 0.6638 + 1648SOL HW1 5001 1.275 5.122 3.689 -0.4382 -0.5785 0.8255 + 1648SOL HW2 5002 1.130 5.084 3.707 -0.7640 0.2635 0.1596 + 1649SOL OW 5003 3.855 4.631 1.310 -0.2439 0.1259 -0.1486 + 1649SOL HW1 5004 3.900 4.553 1.277 -1.0928 -0.4971 0.1075 + 1649SOL HW2 5005 3.881 4.636 1.402 -0.8561 -0.3787 0.0655 + 1650SOL OW 5006 1.048 0.732 0.271 0.1669 -0.0492 -0.5056 + 1650SOL HW1 5007 1.062 0.670 0.342 0.4624 0.8531 0.2690 + 1650SOL HW2 5008 1.091 0.692 0.195 0.3144 -0.7932 -0.0504 + 1651SOL OW 5009 1.706 5.717 1.543 0.0679 -0.1587 0.1546 + 1651SOL HW1 5010 1.700 5.770 1.623 -0.5796 -0.8499 0.5847 + 1651SOL HW2 5011 1.793 5.677 1.547 -0.1435 -0.5839 0.7855 + 1652SOL OW 5012 3.600 1.502 2.510 -0.2216 -0.5733 -0.2066 + 1652SOL HW1 5013 3.603 1.515 2.415 -0.2202 1.5089 -0.0266 + 1652SOL HW2 5014 3.691 1.499 2.537 -0.2154 -0.4791 -0.2164 + 1653SOL OW 5015 2.782 0.874 5.115 -0.2566 -0.2968 0.3378 + 1653SOL HW1 5016 2.759 0.966 5.098 0.7488 -0.0722 0.0598 + 1653SOL HW2 5017 2.775 0.866 5.211 0.1947 0.2413 0.4263 + 1654SOL OW 5018 5.423 0.292 2.474 0.0174 0.0103 0.0227 + 1654SOL HW1 5019 5.375 0.229 2.528 0.1038 -0.2761 -0.2318 + 1654SOL HW2 5020 5.375 0.294 2.391 0.0965 0.1764 -0.0199 + 1655SOL OW 5021 2.530 1.642 2.685 0.2401 -0.8990 0.1612 + 1655SOL HW1 5022 2.620 1.638 2.653 -0.0315 -0.4598 -0.7385 + 1655SOL HW2 5023 2.534 1.700 2.762 0.6601 -0.4921 -0.1565 + 1656SOL OW 5024 2.895 1.411 2.105 -0.3926 -0.2901 -0.2820 + 1656SOL HW1 5025 2.822 1.353 2.128 0.1253 -1.0487 -0.4685 + 1656SOL HW2 5026 2.919 1.386 2.016 -0.2742 0.3566 -0.4427 + 1657SOL OW 5027 3.946 5.296 1.766 0.0352 0.2170 -0.0474 + 1657SOL HW1 5028 3.941 5.214 1.718 -0.8360 -0.1577 0.6191 + 1657SOL HW2 5029 4.011 5.348 1.720 1.4051 -1.2364 0.0985 + 1658SOL OW 5030 4.517 1.316 2.155 0.3133 -0.2073 -0.0143 + 1658SOL HW1 5031 4.597 1.264 2.155 0.5892 0.1994 -0.7372 + 1658SOL HW2 5032 4.453 1.262 2.108 0.5541 0.0294 -0.6237 + 1659SOL OW 5033 0.854 5.743 1.248 0.2065 -0.5045 -0.1922 + 1659SOL HW1 5034 0.858 5.827 1.294 1.0495 -0.3953 -0.4280 + 1659SOL HW2 5035 0.791 5.757 1.177 0.0297 -0.2041 0.0218 + 1660SOL OW 5036 1.365 0.021 0.457 0.1464 -0.2201 -0.4890 + 1660SOL HW1 5037 1.336 -0.070 0.464 -0.9223 0.1498 0.8015 + 1660SOL HW2 5038 1.286 0.070 0.436 0.8167 0.3986 -1.8156 + 1661SOL OW 5039 1.941 0.956 3.994 -0.2650 -0.1043 0.0919 + 1661SOL HW1 5040 1.876 0.893 3.964 -0.0438 -0.1416 -0.3238 + 1661SOL HW2 5041 1.950 1.018 3.922 0.8035 -0.6056 -0.2483 + 1662SOL OW 5042 3.912 0.872 1.598 0.6021 -0.1972 -0.0057 + 1662SOL HW1 5043 3.898 0.796 1.542 0.3395 -0.3519 0.2641 + 1662SOL HW2 5044 3.856 0.857 1.674 -0.4978 0.8816 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5.697 0.2321 -0.4888 0.1708 + 1893SOL HW2 5737 1.721 5.332 5.776 0.0548 -0.4889 0.3117 + 1894SOL OW 5738 4.738 0.738 1.035 0.4331 -0.0924 0.2474 + 1894SOL HW1 5739 4.681 0.661 1.035 0.4531 -0.1074 0.2939 + 1894SOL HW2 5740 4.691 0.803 0.983 0.2357 -0.0024 0.5313 + 1895SOL OW 5741 5.281 0.994 2.273 0.2663 -0.1177 0.4410 + 1895SOL HW1 5742 5.368 1.020 2.304 1.0135 0.1215 -1.5353 + 1895SOL HW2 5743 5.221 1.029 2.338 1.5275 1.8706 0.7284 + 1896SOL OW 5744 4.893 5.573 2.642 -0.5534 0.2565 -0.1669 + 1896SOL HW1 5745 4.903 5.656 2.687 -0.5753 0.4099 -0.4407 + 1896SOL HW2 5746 4.872 5.597 2.551 -1.1539 -0.0514 -0.1145 + 1897SOL OW 5747 5.819 0.992 2.427 0.2935 -0.7058 0.0717 + 1897SOL HW1 5748 5.787 0.958 2.510 -0.0645 0.1204 0.2959 + 1897SOL HW2 5749 5.915 0.993 2.437 0.2357 0.2379 0.8657 + 1898SOL OW 5750 3.644 0.116 5.394 -0.0675 -1.0053 -0.2976 + 1898SOL HW1 5751 3.612 0.087 5.308 -0.1594 -1.3538 -0.1522 + 1898SOL HW2 5752 3.597 0.060 5.456 -0.7259 -0.1235 0.0457 + 1899SOL OW 5753 4.133 1.253 1.571 -0.3031 -0.2851 0.3421 + 1899SOL HW1 5754 4.219 1.293 1.584 0.0480 -0.9050 0.0009 + 1899SOL HW2 5755 4.145 1.161 1.595 -0.7766 -0.4590 -0.0635 + 1900SOL OW 5756 3.422 5.091 1.425 0.0189 0.7522 -0.8397 + 1900SOL HW1 5757 3.414 5.150 1.500 -0.5230 -0.0051 -0.2730 + 1900SOL HW2 5758 3.515 5.095 1.400 0.5231 0.0834 0.6922 + 1901SOL OW 5759 3.048 5.569 0.523 0.3896 -0.3636 -0.4870 + 1901SOL HW1 5760 3.033 5.510 0.449 -0.9592 -0.9582 0.1885 + 1901SOL HW2 5761 2.979 5.634 0.515 1.0670 0.3882 -0.4758 + 1902SOL OW 5762 3.850 5.816 1.337 0.3529 -0.7285 -0.5031 + 1902SOL HW1 5763 3.874 5.839 1.248 -0.3529 -0.8278 -0.7326 + 1902SOL HW2 5764 3.803 5.732 1.329 0.5302 -0.8870 -0.0067 + 1903SOL OW 5765 0.417 5.445 1.995 0.4156 0.2912 0.6002 + 1903SOL HW1 5766 0.422 5.534 1.959 0.1413 0.3837 0.7840 + 1903SOL HW2 5767 0.499 5.404 1.968 0.0804 0.2468 -0.4139 + 1904SOL OW 5768 2.994 1.317 5.335 0.1713 -0.5290 0.2538 + 1904SOL HW1 5769 3.032 1.310 5.247 -0.6947 -0.2429 -0.1639 + 1904SOL HW2 5770 3.059 1.275 5.392 0.5653 -1.0977 -0.5642 + 1905SOL OW 5771 3.780 1.088 2.531 -0.5390 0.1155 -0.0033 + 1905SOL HW1 5772 3.835 1.145 2.584 -0.3336 -0.2316 0.1680 + 1905SOL HW2 5773 3.756 1.140 2.455 -0.7353 0.5816 0.3718 + 1906SOL OW 5774 2.996 5.374 0.337 -0.0648 -0.0134 -0.0899 + 1906SOL HW1 5775 3.055 5.333 0.273 -0.5139 0.1493 -0.6208 + 1906SOL HW2 5776 3.017 5.330 0.420 0.6916 -0.0651 -0.2928 + 1907SOL OW 5777 3.679 0.075 1.673 0.3860 0.1912 0.3551 + 1907SOL HW1 5778 3.721 0.107 1.594 -0.2742 0.0859 -0.0548 + 1907SOL HW2 5779 3.650 0.154 1.719 0.1980 0.2368 0.1613 + 1908SOL OW 5780 3.832 1.168 0.596 0.1942 0.1316 0.0216 + 1908SOL HW1 5781 3.746 1.164 0.555 -0.0888 -0.3257 0.6257 + 1908SOL HW2 5782 3.857 1.260 0.592 -0.3261 0.2697 -0.1527 + 1909SOL OW 5783 2.723 4.943 3.618 -0.2620 -0.3486 -0.4526 + 1909SOL HW1 5784 2.780 4.866 3.625 0.2614 0.0602 0.0276 + 1909SOL HW2 5785 2.671 4.941 3.698 0.0895 0.0391 -0.2040 + 1910SOL OW 5786 3.831 0.435 4.289 0.3377 -0.3756 0.2482 + 1910SOL HW1 5787 3.916 0.474 4.310 -0.0794 0.5664 0.2965 + 1910SOL HW2 5788 3.828 0.435 4.194 0.0427 0.4637 0.2382 + 1911SOL OW 5789 1.212 0.780 1.770 -0.3429 -0.1982 0.1219 + 1911SOL HW1 5790 1.121 0.786 1.800 -0.2256 0.6644 0.3613 + 1911SOL HW2 5791 1.261 0.832 1.833 0.2747 -0.3604 -0.2092 + 1912SOL OW 5792 0.412 0.930 2.960 -0.1996 0.2119 0.2120 + 1912SOL HW1 5793 0.459 0.994 2.907 0.6671 -0.4854 0.0936 + 1912SOL HW2 5794 0.366 0.876 2.896 0.0433 -0.0150 0.2252 + 1913SOL OW 5795 4.501 5.410 2.580 0.0178 0.1983 0.5650 + 1913SOL HW1 5796 4.425 5.400 2.522 -0.0971 -0.5505 0.8273 + 1913SOL HW2 5797 4.576 5.386 2.525 -0.0870 -0.4644 0.6941 + 1914SOL OW 5798 4.410 5.465 2.008 -0.0088 -0.1090 0.3312 + 1914SOL HW1 5799 4.471 5.485 1.937 0.0416 -0.9572 0.1154 + 1914SOL HW2 5800 4.326 5.499 1.978 0.2263 0.5729 0.3909 + 1915SOL OW 5801 2.454 5.214 1.102 -0.3633 0.6851 -0.2454 + 1915SOL HW1 5802 2.429 5.244 1.189 0.8568 0.4869 0.2226 + 1915SOL HW2 5803 2.546 5.188 1.111 -0.2396 0.5035 -1.5590 + 1916SOL OW 5804 2.166 1.125 5.764 0.2496 -0.0806 -0.4744 + 1916SOL HW1 5805 2.253 1.099 5.733 0.0384 -0.6017 -0.6516 + 1916SOL HW2 5806 2.122 1.160 5.686 0.3689 0.3943 -0.3374 + 1917SOL OW 5807 2.703 4.871 2.360 -0.1488 -0.0674 0.2189 + 1917SOL HW1 5808 2.643 4.813 2.407 -1.6460 0.1611 -1.2084 + 1917SOL HW2 5809 2.787 4.862 2.406 -0.9640 -1.3120 1.6458 + 1918SOL OW 5810 0.124 5.747 0.952 0.1821 -0.0090 -0.0272 + 1918SOL HW1 5811 0.091 5.657 0.944 0.1697 0.0535 -0.8439 + 1918SOL HW2 5812 0.200 5.749 0.893 0.8495 0.2276 0.7946 + 1919SOL OW 5813 1.118 0.983 1.576 0.9213 -0.4381 -0.5308 + 1919SOL HW1 5814 1.137 1.037 1.652 -0.4858 -0.4751 -0.0896 + 1919SOL HW2 5815 1.118 0.893 1.609 -0.7447 -0.3968 -0.2394 + 1920SOL OW 5816 2.283 5.070 4.964 0.5093 -0.1796 0.5208 + 1920SOL HW1 5817 2.370 5.060 5.003 0.9162 -1.0658 -0.5118 + 1920SOL HW2 5818 2.296 5.051 4.871 -0.4311 1.6406 -0.0758 + 1921SOL OW 5819 2.558 1.119 3.576 -0.0235 -0.1606 -0.3016 + 1921SOL HW1 5820 2.535 1.212 3.577 0.8444 0.0833 0.8583 + 1921SOL HW2 5821 2.514 1.083 3.653 -1.0532 -0.9500 -1.1972 + 1922SOL OW 5822 0.797 0.385 0.385 -0.1577 -0.2700 -0.1499 + 1922SOL HW1 5823 0.882 0.429 0.394 -0.1284 -0.4223 0.3530 + 1922SOL HW2 5824 0.734 0.456 0.379 -0.0671 -0.1517 0.2338 + 1923SOL OW 5825 1.020 5.631 3.827 0.0851 0.2943 -0.3222 + 1923SOL HW1 5826 1.080 5.557 3.816 -0.2128 0.0122 -0.0934 + 1923SOL HW2 5827 0.940 5.605 3.782 -0.1510 0.3160 0.0754 + 1924SOL OW 5828 1.331 0.509 2.772 0.3250 0.1113 -0.3621 + 1924SOL HW1 5829 1.361 0.435 2.824 -0.1813 -0.3920 -0.7609 + 1924SOL HW2 5830 1.376 0.584 2.809 -0.2071 -0.1729 0.9978 + 1925SOL OW 5831 1.420 5.812 2.150 -0.0116 -0.7943 0.6489 + 1925SOL HW1 5832 1.460 5.863 2.079 2.0210 -0.6453 1.7329 + 1925SOL HW2 5833 1.371 5.744 2.106 -1.1368 0.8136 -0.8624 + 1926SOL OW 5834 3.227 0.168 2.222 0.0786 -0.1013 0.2990 + 1926SOL HW1 5835 3.314 0.209 2.225 -0.3131 0.8206 -0.0960 + 1926SOL HW2 5836 3.235 0.101 2.154 0.6269 -0.4390 0.6772 + 1927SOL OW 5837 1.416 5.271 4.219 0.4874 -0.1660 -0.2690 + 1927SOL HW1 5838 1.401 5.211 4.146 -0.1360 -2.2109 1.3541 + 1927SOL HW2 5839 1.509 5.263 4.238 0.6449 0.3478 -0.7681 + 1928SOL OW 5840 1.956 1.368 3.146 0.4066 0.1400 -0.0522 + 1928SOL HW1 5841 1.950 1.379 3.051 -0.8972 1.0101 0.0792 + 1928SOL HW2 5842 1.999 1.283 3.158 -0.1853 -0.4059 -1.4312 + 1929SOL OW 5843 2.201 0.923 0.402 -0.3094 0.3478 0.3103 + 1929SOL HW1 5844 2.110 0.904 0.424 -0.4759 0.1908 -0.4665 + 1929SOL HW2 5845 2.244 0.837 0.398 -0.4588 0.3001 -0.6603 + 1930SOL OW 5846 4.954 0.945 1.058 -0.3341 0.3489 -0.0813 + 1930SOL HW1 5847 4.861 0.965 1.066 -0.4541 0.5069 -1.4492 + 1930SOL HW2 5848 4.986 1.004 0.990 1.0429 1.0665 1.0579 + 1931SOL OW 5849 2.105 1.131 6.015 -0.2148 -0.5858 0.1505 + 1931SOL HW1 5850 2.136 1.124 5.924 0.3265 -0.7550 0.3392 + 1931SOL HW2 5851 2.106 1.042 6.048 2.6104 -0.3662 1.2505 + 1932SOL OW 5852 2.137 0.711 5.666 0.9063 -1.0587 -0.1841 + 1932SOL HW1 5853 2.227 0.745 5.668 0.2927 0.8324 0.8746 + 1932SOL HW2 5854 2.110 0.721 5.575 1.4735 -0.7146 -0.3262 + 1933SOL OW 5855 3.676 1.409 0.978 -0.0970 0.3226 -0.8599 + 1933SOL HW1 5856 3.675 1.467 1.054 0.4046 -0.6143 -0.0936 + 1933SOL HW2 5857 3.595 1.430 0.932 -0.0640 1.4258 -0.4840 + 1934SOL OW 5858 5.497 0.055 3.086 0.2408 -0.2578 -0.0147 + 1934SOL HW1 5859 5.573 0.058 3.029 0.2424 0.0469 0.0027 + 1934SOL HW2 5860 5.465 -0.035 3.079 0.2791 -0.2392 -0.4446 + 1935SOL OW 5861 3.652 1.290 5.467 0.0043 -0.6068 -0.5642 + 1935SOL HW1 5862 3.720 1.231 5.501 -0.2225 -0.3459 0.4127 + 1935SOL HW2 5863 3.670 1.374 5.509 -0.7266 -0.4516 -0.5396 + 1936SOL OW 5864 3.899 5.778 0.357 0.3310 0.1993 -0.5399 + 1936SOL HW1 5865 3.946 5.739 0.284 1.3618 1.3894 -0.5751 + 1936SOL HW2 5866 3.940 5.740 0.435 -0.0088 -0.2235 -0.5569 + 1937SOL OW 5867 3.429 0.957 3.939 -0.4910 0.1419 0.3463 + 1937SOL HW1 5868 3.452 0.875 3.983 0.9590 0.2274 -0.1471 + 1937SOL HW2 5869 3.409 1.018 4.010 1.8102 0.2935 1.0311 + 1938SOL OW 5870 0.434 0.336 1.734 -0.0246 0.3862 -0.3714 + 1938SOL HW1 5871 0.463 0.349 1.644 -0.7478 -0.5050 -0.7684 + 1938SOL HW2 5872 0.413 0.424 1.765 0.8022 0.7751 -0.8487 + 1939SOL OW 5873 1.691 0.525 1.319 0.5295 -0.2591 -0.0005 + 1939SOL HW1 5874 1.741 0.505 1.240 0.4769 0.5645 -0.2613 + 1939SOL HW2 5875 1.616 0.577 1.288 0.8681 0.6675 0.6366 + 1940SOL OW 5876 3.921 0.500 2.556 -0.1086 -0.1684 0.6204 + 1940SOL HW1 5877 3.850 0.528 2.613 -0.8091 -0.6395 0.0204 + 1940SOL HW2 5878 3.918 0.404 2.559 0.2907 -0.1976 0.3261 + 1941SOL OW 5879 3.911 1.586 2.068 0.3376 -0.0798 0.0266 + 1941SOL HW1 5880 3.994 1.555 2.033 0.2828 0.5293 -0.7052 + 1941SOL HW2 5881 3.911 1.680 2.051 -0.7976 -0.1602 -0.7016 + 1942SOL OW 5882 2.962 4.647 2.685 0.0334 0.0759 0.2274 + 1942SOL HW1 5883 3.054 4.651 2.713 -0.0056 -0.9861 0.5774 + 1942SOL HW2 5884 2.922 4.583 2.743 -0.9420 0.4968 0.0572 + 1943SOL OW 5885 2.621 5.255 1.542 0.3718 -0.5436 -0.1232 + 1943SOL HW1 5886 2.574 5.172 1.530 0.9991 -0.8727 -0.3601 + 1943SOL HW2 5887 2.709 5.230 1.568 0.2947 0.0778 0.8530 + 1944SOL OW 5888 1.626 5.696 5.891 0.7356 0.2496 0.3155 + 1944SOL HW1 5889 1.584 5.624 5.844 0.8746 0.3439 0.0451 + 1944SOL HW2 5890 1.668 5.748 5.823 1.1065 0.2787 0.5605 + 1945SOL OW 5891 0.352 0.696 2.779 0.3919 0.0319 -0.0274 + 1945SOL HW1 5892 0.369 0.615 2.732 -0.5878 -0.5212 0.4895 + 1945SOL HW2 5893 0.344 0.669 2.871 0.0222 0.7064 0.1527 + 1946SOL OW 5894 1.331 0.015 4.705 0.0706 -0.2027 -0.0666 + 1946SOL HW1 5895 1.361 0.106 4.709 0.9552 -0.4675 -0.2329 + 1946SOL HW2 5896 1.288 0.001 4.789 -0.3549 0.4503 -0.1556 + 1947SOL OW 5897 2.648 1.505 0.598 -0.2525 0.3509 -0.0972 + 1947SOL HW1 5898 2.585 1.521 0.669 0.5481 0.1808 0.6770 + 1947SOL HW2 5899 2.732 1.496 0.641 0.2091 -0.1992 -1.0384 + 1948SOL OW 5900 0.876 5.546 0.717 0.5504 0.2301 -0.2971 + 1948SOL HW1 5901 0.888 5.578 0.628 1.0116 0.2057 -0.2443 + 1948SOL HW2 5902 0.958 5.565 0.761 -0.0260 1.2530 0.4434 + 1949SOL OW 5903 5.760 0.944 1.723 0.1150 -0.3403 0.1661 + 1949SOL HW1 5904 5.830 1.005 1.744 0.5829 -0.7617 -0.1289 + 1949SOL HW2 5905 5.758 0.941 1.628 0.3097 -1.0091 0.1720 + 1950SOL OW 5906 2.786 5.552 3.025 0.0047 0.3773 -0.0297 + 1950SOL HW1 5907 2.820 5.547 2.936 -0.1436 0.7316 -0.1103 + 1950SOL HW2 5908 2.858 5.524 3.081 -0.0662 -0.3555 -0.2921 + 1951SOL OW 5909 2.463 1.312 1.882 -0.2433 0.6562 0.0151 + 1951SOL HW1 5910 2.399 1.248 1.852 -0.1087 0.1527 0.7452 + 1951SOL HW2 5911 2.529 1.316 1.812 -0.8316 0.8545 -0.5429 + 1952SOL OW 5912 2.131 5.608 3.481 0.2132 -0.4110 -0.2245 + 1952SOL HW1 5913 2.143 5.703 3.486 0.4204 -0.4636 0.4212 + 1952SOL HW2 5914 2.053 5.590 3.533 0.2138 -0.6025 -0.2876 + 1953SOL OW 5915 2.490 5.903 0.569 0.2192 -1.0972 -0.4706 + 1953SOL HW1 5916 2.472 5.991 0.538 0.3114 -0.7381 0.4306 + 1953SOL HW2 5917 2.485 5.848 0.491 -0.2099 -0.3552 -0.9854 + 1954SOL OW 5918 2.501 5.491 0.858 -0.7302 0.0617 -0.0860 + 1954SOL HW1 5919 2.503 5.526 0.947 -0.3269 -0.8417 0.2859 + 1954SOL HW2 5920 2.510 5.568 0.802 -0.3490 0.5954 0.6693 + 1955SOL OW 5921 0.871 0.028 1.489 0.0852 -0.2432 -0.0680 + 1955SOL HW1 5922 0.906 0.072 1.566 0.9180 0.4425 -0.7966 + 1955SOL HW2 5923 0.934 0.047 1.419 -0.4485 -1.1366 -0.8439 + 1956SOL OW 5924 4.250 5.335 2.423 0.0351 0.3554 -0.2675 + 1956SOL HW1 5925 4.176 5.305 2.370 -0.5201 1.4728 -0.1796 + 1956SOL HW2 5926 4.324 5.282 2.393 -0.7787 -0.8270 -0.3316 + 1957SOL OW 5927 2.180 5.514 1.234 -0.1364 0.2952 -0.2869 + 1957SOL HW1 5928 2.110 5.578 1.216 -0.0422 0.1582 -1.2699 + 1957SOL HW2 5929 2.150 5.434 1.191 0.5577 0.1970 -0.6190 + 1958SOL OW 5930 2.460 5.202 0.727 -0.1907 0.7587 0.4942 + 1958SOL HW1 5931 2.549 5.170 0.746 -0.4968 -0.2547 0.3046 + 1958SOL HW2 5932 2.472 5.264 0.654 0.3337 0.4567 0.3120 + 1959SOL OW 5933 2.523 0.624 4.234 -0.4770 0.1382 0.4522 + 1959SOL HW1 5934 2.602 0.589 4.193 -0.1986 0.4031 0.7455 + 1959SOL HW2 5935 2.511 0.571 4.313 -0.9772 -0.3333 0.0731 + 1960SOL OW 5936 4.313 5.107 3.257 -0.4730 -0.3131 -0.5810 + 1960SOL HW1 5937 4.347 5.086 3.170 -0.7929 -0.6644 -0.6243 + 1960SOL HW2 5938 4.225 5.071 3.258 -0.1481 -1.1772 0.2165 + 1961SOL OW 5939 3.090 0.497 4.400 -0.0084 0.0468 0.2280 + 1961SOL HW1 5940 3.010 0.549 4.387 -0.0996 -0.2106 -0.2887 + 1961SOL HW2 5941 3.152 0.533 4.337 0.0020 -0.3123 0.0273 + 1962SOL OW 5942 0.613 1.275 1.465 0.4516 -0.1492 0.2848 + 1962SOL HW1 5943 0.602 1.363 1.501 0.4746 -0.3553 0.8272 + 1962SOL HW2 5944 0.707 1.266 1.450 0.4125 0.0288 -0.0747 + 1963SOL OW 5945 1.603 1.671 1.414 0.2715 0.0653 0.5086 + 1963SOL HW1 5946 1.676 1.719 1.454 0.3614 -0.0855 0.5260 + 1963SOL HW2 5947 1.567 1.619 1.485 0.1455 0.1400 0.4998 + 1964SOL OW 5948 0.545 0.457 1.140 -0.1415 -0.5416 -0.0530 + 1964SOL HW1 5949 0.531 0.367 1.168 0.4511 -0.6677 -0.1375 + 1964SOL HW2 5950 0.554 0.506 1.222 0.5273 -0.7318 -0.0028 + 1965SOL OW 5951 4.224 0.098 5.765 -0.1494 -0.1029 -0.6032 + 1965SOL HW1 5952 4.252 0.182 5.801 0.1354 -0.0690 -0.8954 + 1965SOL HW2 5953 4.248 0.034 5.832 0.2878 -0.0280 -0.6781 + 1966SOL OW 5954 4.909 0.898 1.432 0.0191 0.3076 -0.6290 + 1966SOL HW1 5955 4.855 0.970 1.399 0.0111 1.1145 0.9325 + 1966SOL HW2 5956 4.998 0.920 1.403 0.0624 1.1640 0.0560 + 1967SOL OW 5957 0.109 5.556 1.353 -0.4702 0.0577 0.1711 + 1967SOL HW1 5958 0.029 5.608 1.340 -0.4464 -0.1402 -0.9912 + 1967SOL HW2 5959 0.096 5.479 1.298 0.1509 -0.4250 0.6773 + 1968SOL OW 5960 1.486 5.368 5.968 0.6109 0.1341 0.5142 + 1968SOL HW1 5961 1.475 5.307 6.041 -0.2085 -0.4126 -0.0385 + 1968SOL HW2 5962 1.546 5.323 5.908 0.4798 0.1331 0.3825 + 1969SOL OW 5963 4.032 5.822 1.934 -0.0994 0.3728 -0.4382 + 1969SOL HW1 5964 4.001 5.840 2.023 -0.8600 -1.2285 -0.3202 + 1969SOL HW2 5965 3.953 5.826 1.880 0.0239 -0.5169 -0.7065 + 1970SOL OW 5966 3.188 5.799 0.420 -0.1874 0.3383 0.2718 + 1970SOL HW1 5967 3.215 5.715 0.457 0.1135 0.3571 0.0966 + 1970SOL HW2 5968 3.095 5.807 0.445 -0.2853 -0.1534 0.0869 + 1971SOL OW 5969 3.252 5.246 5.399 0.3379 0.0271 -0.1700 + 1971SOL HW1 5970 3.316 5.303 5.357 -0.5213 0.6606 -0.7102 + 1971SOL HW2 5971 3.254 5.271 5.491 -0.2498 1.2369 -0.4384 + 1972SOL OW 5972 2.044 4.686 1.191 -0.5663 -0.2749 -0.4936 + 1972SOL HW1 5973 2.038 4.781 1.188 -0.0044 -0.2174 -0.1376 + 1972SOL HW2 5974 2.138 4.668 1.193 -0.6619 -0.8459 -0.7528 + 1973SOL OW 5975 3.396 1.464 1.367 0.0332 -0.2279 0.6748 + 1973SOL HW1 5976 3.381 1.400 1.298 0.0004 0.1667 0.3130 + 1973SOL HW2 5977 3.492 1.473 1.371 0.0390 -0.3071 0.7400 + 1974SOL OW 5978 3.411 0.262 3.187 -0.1566 0.7438 -0.1817 + 1974SOL HW1 5979 3.492 0.220 3.217 -0.5375 0.4398 0.4677 + 1974SOL HW2 5980 3.436 0.309 3.108 0.2672 -0.8191 -1.0561 + 1975SOL OW 5981 1.123 1.184 3.108 0.3612 0.3323 0.0677 + 1975SOL HW1 5982 1.185 1.111 3.117 -0.1995 -0.1131 0.5295 + 1975SOL HW2 5983 1.048 1.146 3.061 -0.4751 0.2164 1.3847 + 1976SOL OW 5984 1.049 5.899 0.592 0.0850 0.3017 -0.4059 + 1976SOL HW1 5985 0.995 5.821 0.592 1.3950 -0.6908 0.4436 + 1976SOL HW2 5986 1.103 5.892 0.514 0.3759 0.2114 -0.2013 + 1977SOL OW 5987 2.234 0.728 0.150 0.1199 0.2057 0.1158 + 1977SOL HW1 5988 2.266 0.776 0.073 0.3528 -0.7440 -0.4156 + 1977SOL HW2 5989 2.139 0.737 0.146 0.1173 0.0084 -0.4013 + 1978SOL OW 5990 0.393 1.123 3.182 -0.3412 0.1421 -0.0946 + 1978SOL HW1 5991 0.390 1.057 3.113 -0.6914 0.3529 -0.2866 + 1978SOL HW2 5992 0.325 1.098 3.243 0.3959 -0.4151 0.5343 + 1979SOL OW 5993 3.763 5.098 0.898 0.1087 0.1826 0.1695 + 1979SOL HW1 5994 3.732 5.031 0.838 -0.8332 0.0116 0.8099 + 1979SOL HW2 5995 3.767 5.178 0.845 0.2241 -0.1507 -0.3383 + 1980SOL OW 5996 3.801 5.661 5.843 0.3095 -0.4119 0.1685 + 1980SOL HW1 5997 3.838 5.699 5.763 -1.5127 0.3327 -0.4257 + 1980SOL HW2 5998 3.829 5.720 5.912 1.0992 -0.5031 -0.0547 + 1981SOL OW 5999 2.095 1.138 5.324 0.2790 -0.8527 -0.3133 + 1981SOL HW1 6000 2.149 1.076 5.374 0.4879 -0.2830 0.1939 + 1981SOL HW2 6001 2.130 1.133 5.235 1.0682 -0.6340 -0.0353 + 1982SOL OW 6002 3.889 5.564 2.587 -0.4074 -0.4311 0.4176 + 1982SOL HW1 6003 3.980 5.536 2.595 -0.1486 0.0228 -0.6009 + 1982SOL HW2 6004 3.861 5.530 2.502 -0.5269 1.1297 -0.2342 + 1983SOL OW 6005 1.785 0.843 0.767 -0.0788 -0.2172 0.9356 + 1983SOL HW1 6006 1.774 0.928 0.811 0.2263 -0.4887 1.5671 + 1983SOL HW2 6007 1.837 0.792 0.828 0.4708 -0.5830 0.1906 + 1984SOL OW 6008 3.532 0.013 2.120 0.4099 -0.1898 0.1622 + 1984SOL HW1 6009 3.546 0.030 2.213 1.3200 -0.3956 0.0902 + 1984SOL HW2 6010 3.439 -0.009 2.113 0.5789 -1.6204 1.2741 + 1985SOL OW 6011 4.061 1.425 2.276 0.4724 -0.4492 0.1812 + 1985SOL HW1 6012 4.084 1.492 2.212 2.3259 -1.0126 0.1268 + 1985SOL HW2 6013 4.008 1.362 2.227 -0.1061 0.2600 -0.1344 + 1986SOL OW 6014 1.865 5.157 0.436 0.0155 -0.5154 0.0389 + 1986SOL HW1 6015 1.941 5.098 0.439 -0.1080 -0.6879 -0.1467 + 1986SOL HW2 6016 1.893 5.229 0.379 -0.0911 -0.7775 -0.3569 + 1987SOL OW 6017 3.081 1.514 0.459 0.2582 -0.0759 -0.2091 + 1987SOL HW1 6018 3.099 1.571 0.533 0.8298 0.2167 -0.5597 + 1987SOL HW2 6019 3.117 1.429 0.484 1.2557 0.2392 -0.4800 + 1988SOL OW 6020 3.981 0.894 2.483 0.5242 -0.2547 -0.6159 + 1988SOL HW1 6021 3.961 0.836 2.409 0.6715 0.8768 -1.5942 + 1988SOL HW2 6022 3.899 0.939 2.500 0.2826 -1.0169 0.4502 + 1989SOL OW 6023 5.584 0.479 2.993 0.1385 -0.5710 0.3826 + 1989SOL HW1 6024 5.658 0.419 3.006 -0.6133 -1.6569 -0.0900 + 1989SOL HW2 6025 5.540 0.480 3.078 -0.0554 -1.0089 0.2943 + 1990SOL OW 6026 4.473 0.304 2.449 0.3542 0.3992 -0.9394 + 1990SOL HW1 6027 4.527 0.382 2.435 0.4816 0.6053 0.4273 + 1990SOL HW2 6028 4.537 0.234 2.465 0.2332 0.3154 -0.8209 + 1991SOL OW 6029 1.977 1.115 3.788 0.4532 -0.1282 0.0005 + 1991SOL HW1 6030 2.019 1.065 3.717 0.0581 -0.7317 0.1782 + 1991SOL HW2 6031 1.917 1.175 3.742 0.8846 0.1541 -0.2119 + 1992SOL OW 6032 1.115 0.660 1.376 -0.3541 -0.4642 0.2188 + 1992SOL HW1 6033 1.148 0.571 1.364 0.3356 -0.1497 -0.4488 + 1992SOL HW2 6034 1.107 0.694 1.287 0.4787 0.5003 0.4761 + 1993SOL OW 6035 2.432 5.107 2.109 0.5708 -0.0777 -0.6005 + 1993SOL HW1 6036 2.505 5.051 2.085 0.5666 -0.1565 -0.4253 + 1993SOL HW2 6037 2.396 5.069 2.189 0.5577 0.1635 -0.4875 + 1994SOL OW 6038 3.509 5.333 0.814 0.0431 -0.4967 0.1312 + 1994SOL HW1 6039 3.454 5.363 0.886 -0.6776 0.1837 -0.6488 + 1994SOL HW2 6040 3.449 5.282 0.759 0.3843 -0.4000 -0.3395 + 1995SOL OW 6041 3.195 1.209 5.494 -0.4906 0.2112 0.7906 + 1995SOL HW1 6042 3.290 1.223 5.492 -0.4988 0.2411 0.5798 + 1995SOL HW2 6043 3.179 1.165 5.578 -0.3118 0.3523 0.8995 + 1996SOL OW 6044 2.466 0.346 0.507 -0.0427 -0.1818 -0.4685 + 1996SOL HW1 6045 2.416 0.291 0.447 -0.6762 0.8177 -0.9036 + 1996SOL HW2 6046 2.438 0.436 0.488 0.5258 0.2693 0.5918 + 1997SOL OW 6047 3.035 1.000 3.001 0.3146 0.4112 0.7126 + 1997SOL HW1 6048 3.114 1.009 3.053 0.3345 0.6141 0.6503 + 1997SOL HW2 6049 2.976 0.947 3.055 0.9349 -0.8157 0.2527 + 1998SOL OW 6050 1.789 1.779 1.599 0.0583 -0.2179 -0.2201 + 1998SOL HW1 6051 1.789 1.823 1.684 -0.8796 0.6126 -0.5986 + 1998SOL HW2 6052 1.868 1.811 1.555 -0.2083 0.5217 -0.1900 + 1999SOL OW 6053 5.182 0.267 1.723 0.7173 0.4692 0.2334 + 1999SOL HW1 6054 5.142 0.183 1.748 0.1617 0.4837 -0.5266 + 1999SOL HW2 6055 5.276 0.254 1.735 0.7653 -0.6836 -0.9250 + 2000SOL OW 6056 3.052 1.237 4.436 0.1723 0.3547 0.2042 + 2000SOL HW1 6057 3.052 1.304 4.504 0.5717 -0.4400 1.0280 + 2000SOL HW2 6058 3.100 1.164 4.474 -0.0743 -0.3363 -0.7323 + 2001SOL OW 6059 4.380 0.389 0.604 -0.0726 -0.5639 0.4841 + 2001SOL HW1 6060 4.461 0.404 0.653 0.1356 -0.6056 0.1581 + 2001SOL HW2 6061 4.342 0.311 0.643 0.0119 -0.5088 0.6786 + 2002SOL OW 6062 5.678 5.945 2.321 -0.2582 0.2385 -0.2242 + 2002SOL HW1 6063 5.737 5.872 2.343 -0.4948 0.0854 -0.0860 + 2002SOL HW2 6064 5.591 5.907 2.327 -0.3458 0.0937 -1.7584 + 2003SOL OW 6065 5.204 0.510 2.188 0.4280 -0.2048 -0.6656 + 2003SOL HW1 6066 5.219 0.604 2.175 0.1401 -0.0738 -0.1066 + 2003SOL HW2 6067 5.131 0.505 2.250 0.7360 -0.7899 -0.3287 + 2004SOL OW 6068 1.160 5.720 5.185 -0.5298 0.1606 0.3432 + 2004SOL HW1 6069 1.180 5.632 5.151 -0.6035 0.0979 0.4594 + 2004SOL HW2 6070 1.087 5.751 5.132 0.2035 0.6129 -0.4528 + 2005SOL OW 6071 5.035 0.244 3.161 -0.1933 0.2542 0.0552 + 2005SOL HW1 6072 5.022 0.243 3.256 -0.4157 -0.2371 0.0262 + 2005SOL HW2 6073 5.129 0.235 3.150 -0.2359 -0.5950 0.2290 + 2006SOL OW 6074 3.283 5.970 4.365 0.3206 -0.3648 -0.0974 + 2006SOL HW1 6075 3.376 5.949 4.358 0.6070 0.3425 0.9936 + 2006SOL HW2 6076 3.244 5.893 4.407 0.5352 -0.4037 0.0319 + 2007SOL OW 6077 2.457 1.390 3.151 0.6809 0.3085 -0.8359 + 2007SOL HW1 6078 2.466 1.458 3.217 0.8349 -0.5061 0.0172 + 2007SOL HW2 6079 2.531 1.332 3.166 -0.1723 -0.7851 -0.6221 + 2008SOL OW 6080 1.876 6.002 2.345 0.0490 0.2767 0.4166 + 2008SOL HW1 6081 1.897 5.993 2.438 -0.2997 1.0853 0.5933 + 2008SOL HW2 6082 1.880 5.913 2.310 0.0590 -0.0558 1.2320 + 2009SOL OW 6083 2.261 0.844 3.315 0.0236 0.0683 -0.2911 + 2009SOL HW1 6084 2.333 0.906 3.301 -0.2664 0.6358 0.5741 + 2009SOL HW2 6085 2.192 0.873 3.256 0.2201 -0.0039 -0.5589 + 2010SOL OW 6086 3.310 5.857 3.418 0.0036 0.3197 -0.0860 + 2010SOL HW1 6087 3.247 5.826 3.352 -0.6725 1.0074 0.2048 + 2010SOL HW2 6088 3.323 5.782 3.476 -0.4079 0.1071 -0.2631 + 2011SOL OW 6089 3.152 0.156 4.220 0.7868 -0.0873 -0.5299 + 2011SOL HW1 6090 3.181 0.228 4.276 0.6315 -0.2303 -0.2584 + 2011SOL HW2 6091 3.178 0.077 4.267 -0.3288 -0.2366 -0.0862 + 2012SOL OW 6092 2.199 1.198 0.263 -0.3983 -0.3081 -0.3913 + 2012SOL HW1 6093 2.151 1.194 0.181 -0.5706 -0.6954 -0.2744 + 2012SOL HW2 6094 2.192 1.110 0.300 -0.8846 0.0234 0.3512 + 2013SOL OW 6095 0.848 1.112 1.822 -0.4282 -0.0168 -0.3865 + 2013SOL HW1 6096 0.850 1.075 1.910 -0.7349 0.3387 -0.2211 + 2013SOL HW2 6097 0.939 1.129 1.800 -0.3601 0.0310 -0.0726 + 2014SOL OW 6098 2.727 0.420 5.845 -0.1914 -0.8078 -0.1917 + 2014SOL HW1 6099 2.797 0.481 5.820 -1.0293 0.1065 -0.4190 + 2014SOL HW2 6100 2.709 0.371 5.765 0.2544 -1.1327 -0.1016 + 2015SOL OW 6101 1.725 5.111 3.227 -0.1223 -0.1607 0.5893 + 2015SOL HW1 6102 1.808 5.094 3.181 -0.0450 0.6000 0.4260 + 2015SOL HW2 6103 1.663 5.049 3.187 0.2839 -0.5020 0.4732 + 2016SOL OW 6104 2.833 5.143 2.171 -0.2455 -0.3535 0.2243 + 2016SOL HW1 6105 2.762 5.084 2.144 -0.0643 -0.6559 0.3942 + 2016SOL HW2 6106 2.907 5.085 2.188 0.5878 0.0704 -1.5827 + 2017SOL OW 6107 3.486 5.730 5.404 -0.1550 0.2746 0.1779 + 2017SOL HW1 6108 3.511 5.739 5.496 0.3594 -0.7354 0.1674 + 2017SOL HW2 6109 3.545 5.662 5.370 -0.2260 0.7361 -0.9398 + 2018SOL OW 6110 1.709 0.210 5.685 0.0586 -0.3142 -0.2158 + 2018SOL HW1 6111 1.640 0.184 5.625 -0.6973 -0.3623 0.6327 + 2018SOL HW2 6112 1.712 0.140 5.751 0.2208 0.1707 0.3116 + 2019SOL OW 6113 2.003 0.995 1.718 0.2929 -0.3734 0.4661 + 2019SOL HW1 6114 1.930 0.934 1.736 0.6201 -0.7138 0.6709 + 2019SOL HW2 6115 2.062 0.945 1.661 0.3698 -0.0975 0.3008 + 2020SOL OW 6116 2.515 5.101 4.439 -0.6187 0.1816 0.4030 + 2020SOL HW1 6117 2.585 5.167 4.442 -0.4728 0.0124 0.8530 + 2020SOL HW2 6118 2.467 5.121 4.359 0.3929 -0.1398 -0.3436 + 2021SOL OW 6119 0.699 0.731 2.029 -0.1380 -0.0300 -0.2417 + 2021SOL HW1 6120 0.700 0.660 2.093 0.0709 0.1841 -0.0016 + 2021SOL HW2 6121 0.680 0.809 2.082 0.4419 0.2106 -0.3749 + 2022SOL OW 6122 1.985 0.099 0.029 -0.0665 -0.4262 0.7186 + 2022SOL HW1 6123 2.011 0.191 0.024 0.0897 -0.4911 0.1701 + 2022SOL HW2 6124 2.040 0.056 -0.036 -0.4413 -0.8337 0.6647 + 2023SOL OW 6125 1.709 5.237 1.996 0.3260 -0.2043 0.5833 + 2023SOL HW1 6126 1.658 5.234 1.915 -0.1991 0.2916 0.8803 + 2023SOL HW2 6127 1.800 5.240 1.967 0.1555 -0.2514 0.0181 + 2024SOL OW 6128 1.775 0.739 3.876 -0.0660 0.4363 0.0579 + 2024SOL HW1 6129 1.694 0.763 3.831 0.2155 1.1761 -0.0815 + 2024SOL HW2 6130 1.827 0.695 3.809 -0.2725 0.1187 0.1001 + 2025SOL OW 6131 2.019 1.301 1.289 0.1941 0.2624 0.3355 + 2025SOL HW1 6132 2.018 1.205 1.291 1.3561 0.2225 0.4717 + 2025SOL HW2 6133 1.970 1.323 1.210 -0.5231 -0.4084 0.5660 + 2026SOL OW 6134 4.748 1.118 2.707 -0.2483 0.5269 0.0491 + 2026SOL HW1 6135 4.704 1.200 2.729 -0.7176 0.6027 -1.0388 + 2026SOL HW2 6136 4.767 1.125 2.613 0.3731 -0.3095 0.0854 + 2027SOL OW 6137 2.454 4.568 1.402 -0.8412 0.3627 0.1090 + 2027SOL HW1 6138 2.469 4.607 1.488 -1.5406 -0.1328 0.4724 + 2027SOL HW2 6139 2.481 4.477 1.411 0.6640 0.6583 -0.7003 + 2028SOL OW 6140 0.932 1.095 1.386 -0.3454 0.6663 0.4551 + 2028SOL HW1 6141 0.985 1.145 1.325 0.0506 0.4791 0.6343 + 2028SOL HW2 6142 0.995 1.059 1.448 -0.3596 -1.2757 -0.4820 + 2029SOL OW 6143 4.559 5.592 2.814 0.1159 0.3353 -0.0340 + 2029SOL HW1 6144 4.530 5.525 2.753 -0.3103 0.8601 -0.4270 + 2029SOL HW2 6145 4.623 5.548 2.870 -0.4428 -0.5026 -0.0173 + 2030SOL OW 6146 4.761 0.736 2.381 0.6363 0.0275 -0.4831 + 2030SOL HW1 6147 4.696 0.778 2.326 0.0723 -0.0599 0.0996 + 2030SOL HW2 6148 4.730 0.646 2.390 0.8320 -0.0143 -0.1983 + 2031SOL OW 6149 0.706 -0.008 1.941 0.5720 0.8688 -0.0931 + 2031SOL HW1 6150 0.745 0.027 2.021 1.4267 -0.5872 0.2004 + 2031SOL HW2 6151 0.612 -0.010 1.959 0.7844 0.0056 1.1698 + 2032SOL OW 6152 2.723 0.902 0.473 -0.1344 0.1517 0.2965 + 2032SOL HW1 6153 2.656 0.909 0.541 -1.6334 -0.9804 -0.9131 + 2032SOL HW2 6154 2.700 0.970 0.410 0.1474 0.0627 0.0958 + 2033SOL OW 6155 3.389 5.435 2.201 0.1128 0.3651 -0.7253 + 2033SOL HW1 6156 3.366 5.463 2.289 -0.9091 -0.6009 -0.6522 + 2033SOL HW2 6157 3.335 5.490 2.144 -1.0811 -0.6214 -0.6203 + 2034SOL OW 6158 3.004 0.505 1.581 0.1190 0.7367 -0.1876 + 2034SOL HW1 6159 3.075 0.569 1.573 -0.5661 1.6245 0.3660 + 2034SOL HW2 6160 2.948 0.541 1.650 0.2725 -1.0419 1.0047 + 2035SOL OW 6161 2.843 5.282 2.806 -0.1650 -0.1085 0.0852 + 2035SOL HW1 6162 2.866 5.216 2.741 -1.1534 0.3488 -0.7786 + 2035SOL HW2 6163 2.760 5.318 2.776 -0.6040 0.2286 1.5470 + 2036SOL OW 6164 5.206 5.212 1.983 0.2404 0.0780 -0.2572 + 2036SOL HW1 6165 5.261 5.165 2.046 -0.8069 0.0896 0.7428 + 2036SOL HW2 6166 5.239 5.302 1.985 -0.0054 0.1755 0.6250 + 2037SOL OW 6167 1.247 1.056 0.832 0.4071 -0.3640 0.5037 + 2037SOL HW1 6168 1.202 0.972 0.839 -1.4759 0.4148 -0.6976 + 2037SOL HW2 6169 1.302 1.048 0.754 -1.0697 -0.0498 -0.6478 + 2038SOL OW 6170 3.695 5.822 2.882 -0.1281 -0.0482 -0.1697 + 2038SOL HW1 6171 3.643 5.902 2.883 -0.1301 -0.0520 0.3756 + 2038SOL HW2 6172 3.724 5.810 2.972 0.2843 -0.3974 -0.3380 + 2039SOL OW 6173 2.473 1.385 3.638 -0.2572 0.0765 -0.0645 + 2039SOL HW1 6174 2.475 1.437 3.558 -0.1022 -1.1720 -0.9327 + 2039SOL HW2 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2152SOL HW1 6513 2.363 0.002 2.725 0.0461 -1.1370 -1.2004 + 2152SOL HW2 6514 2.252 0.025 2.625 -0.9578 1.0060 0.2616 + 2153SOL OW 6515 2.064 1.661 0.601 0.7456 -0.2667 0.4798 + 2153SOL HW1 6516 1.980 1.631 0.568 0.1886 0.4606 1.1602 + 2153SOL HW2 6517 2.087 1.735 0.545 0.7293 -0.2170 0.5378 + 2154SOL OW 6518 2.279 1.637 1.682 -0.3040 -0.3551 -0.6921 + 2154SOL HW1 6519 2.275 1.631 1.586 0.3090 0.7284 -0.8112 + 2154SOL HW2 6520 2.369 1.612 1.703 0.0457 0.8761 -0.5727 + 2155SOL OW 6521 1.368 0.610 2.211 -0.8041 -0.6288 -0.4365 + 2155SOL HW1 6522 1.393 0.547 2.278 -0.0672 -0.1560 -0.2399 + 2155SOL HW2 6523 1.366 0.694 2.256 0.9706 -0.0813 -1.1903 + 2156SOL OW 6524 5.616 0.470 2.128 -0.3649 -0.0110 -0.5097 + 2156SOL HW1 6525 5.540 0.472 2.070 -1.4698 -2.0210 0.6403 + 2156SOL HW2 6526 5.628 0.377 2.149 2.4394 0.1513 -0.5506 + 2157SOL OW 6527 3.819 5.763 5.355 -0.0250 0.0456 -0.6063 + 2157SOL HW1 6528 3.768 5.699 5.306 -0.6337 1.2161 -1.6414 + 2157SOL HW2 6529 3.852 5.823 5.288 1.4949 0.1956 0.1851 + 2158SOL OW 6530 0.969 0.004 0.231 0.3799 -0.6182 -0.3978 + 2158SOL HW1 6531 0.988 -0.031 0.144 0.0319 0.3456 -0.8856 + 2158SOL HW2 6532 0.960 0.098 0.218 0.3099 -0.4505 0.6857 + 2159SOL OW 6533 3.367 5.208 4.778 0.0207 0.3342 -0.4382 + 2159SOL HW1 6534 3.435 5.188 4.713 0.1642 1.4977 -0.7096 + 2159SOL HW2 6535 3.373 5.303 4.789 -0.3764 0.2482 0.8840 + 2160SOL OW 6536 1.643 5.487 3.740 -0.4284 -0.1836 0.6207 + 2160SOL HW1 6537 1.568 5.480 3.681 0.0845 -0.7346 -0.0062 + 2160SOL HW2 6538 1.643 5.578 3.769 -0.5016 0.2172 -0.5299 + 2161SOL OW 6539 1.827 0.506 2.331 -0.3742 -0.0244 0.8387 + 2161SOL HW1 6540 1.910 0.554 2.332 -0.4129 0.0427 0.9854 + 2161SOL HW2 6541 1.826 0.461 2.247 -0.3038 0.1756 0.7276 + 6.00000 6.00000 6.00000 diff --git a/simulations/helical_peptide_control/md/short_peptide/t_250/berendsen_nvt.mdp b/simulations/helical_peptide_control/md/short_peptide/t_250/berendsen_nvt.mdp new file mode 100644 index 00000000..bc2f185b --- /dev/null +++ b/simulations/helical_peptide_control/md/short_peptide/t_250/berendsen_nvt.mdp @@ -0,0 +1,30 @@ +title = NPT simulation of solvated.gro at 250 K +integrator = md +dt = 0.004 +nsteps = 1250000 +constraints = h-bonds +constraint-algorithm = lincs +lincs_iter = 2 ; accuracy of LINCS +lincs_order = 8 ; also related to accuracy +nstxout-compressed = 25000 +nstxout = 25000 ; write coordinates/velocities/forces/energy every 100 ps +nstvout = 25000 +nstfout = 25000 +nstenergy = 25000 +cutoff-scheme = Verlet +ns_type = grid +nstlist = 40 +vdwtype = PME +rvdw = 1 +coulombtype = PME +rcoulomb = 1 +Tcoupl = berendsen +tc-grps = system +tau-t = 2 +ref-t = 250 +Pcoupl = no +compressibility = 4.5e-5 +gen-vel = yes +gen-temp = 250 +pbc = xyz +DispCorr = EnerPres diff --git a/simulations/helical_peptide_control/md/t_250/em_solvated.gro b/simulations/helical_peptide_control/md/short_peptide/t_250/em_solvated.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_250/em_solvated.gro rename to simulations/helical_peptide_control/md/short_peptide/t_250/em_solvated.gro diff --git a/simulations/helical_peptide_control/md/short_peptide/t_250/npt_new.gro b/simulations/helical_peptide_control/md/short_peptide/t_250/npt_new.gro new file mode 100644 index 00000000..7c6feb62 --- /dev/null +++ b/simulations/helical_peptide_control/md/short_peptide/t_250/npt_new.gro @@ -0,0 +1,6544 @@ +Peptide in water + 6541 + 1ACE H1 1 0.870 1.653 1.902 0.4817 -0.2247 -0.4870 + 1ACE CH3 2 0.861 1.724 1.820 -0.3388 -0.6064 -0.7429 + 1ACE H2 3 0.923 1.811 1.841 0.1937 -1.1534 0.0695 + 1ACE H3 4 0.760 1.754 1.791 -0.2090 0.1564 -0.4532 + 1ACE C 5 0.918 1.658 1.703 0.1773 -0.0391 0.6598 + 1ACE O 6 0.947 1.540 1.709 0.3795 0.0574 0.0156 + 2ALA N 7 0.926 1.726 1.592 -0.0197 -0.0689 0.4327 + 2ALA H 8 0.912 1.826 1.601 -0.5582 -0.1413 0.4568 + 2ALA CA 9 0.985 1.667 1.469 0.5058 -0.4431 0.3270 + 2ALA HA 10 0.925 1.580 1.442 0.4269 -0.2979 0.0253 + 2ALA CB 11 0.973 1.769 1.357 -0.0429 -0.1016 0.3938 + 2ALA HB1 12 0.873 1.808 1.339 0.3049 0.3393 -0.6797 + 2ALA HB2 13 1.026 1.861 1.378 0.7677 -0.5522 0.3967 + 2ALA HB3 14 1.007 1.721 1.265 -0.4690 0.8611 -0.2951 + 2ALA C 15 1.125 1.617 1.488 -0.3985 -0.6846 0.3295 + 2ALA O 16 1.163 1.511 1.437 0.0465 0.0995 0.0674 + 3ALA N 17 1.208 1.692 1.570 0.0817 0.6304 1.2116 + 3ALA H 18 1.170 1.779 1.605 -0.7630 1.1869 -0.8220 + 3ALA CA 19 1.344 1.645 1.596 -0.4238 0.5727 -0.1689 + 3ALA HA 20 1.400 1.614 1.508 -1.0741 -0.0055 -0.3929 + 3ALA CB 21 1.411 1.768 1.659 -0.3076 0.4596 0.4533 + 3ALA HB1 22 1.420 1.846 1.583 0.2081 0.2082 0.2451 + 3ALA HB2 23 1.361 1.793 1.753 0.4851 -0.0184 1.0262 + 3ALA HB3 24 1.514 1.744 1.686 -0.0006 0.4277 -0.6544 + 3ALA C 25 1.344 1.520 1.686 -0.5215 -0.4024 0.3463 + 3ALA O 26 1.418 1.424 1.657 -0.5878 -0.4147 -0.9862 + 4GLN N 27 1.252 1.514 1.779 0.5019 0.0667 -0.3465 + 4GLN H 28 1.202 1.600 1.797 -0.1136 -0.4435 0.5578 + 4GLN CA 29 1.238 1.402 1.871 0.0928 0.3545 -0.3371 + 4GLN HA 30 1.339 1.379 1.904 0.0400 -0.8564 -0.9224 + 4GLN CB 31 1.137 1.437 1.990 -0.2132 1.0043 0.2485 + 4GLN HB2 32 1.043 1.467 1.945 -0.4228 -0.4650 -0.4090 + 4GLN HB3 33 1.125 1.344 2.045 0.4780 0.5406 -0.3475 + 4GLN CG 34 1.195 1.547 2.075 -0.2160 -0.1327 -0.4071 + 4GLN HG2 35 1.164 1.534 2.178 -0.7119 0.6453 -0.4414 + 4GLN HG3 36 1.303 1.539 2.083 -0.1786 0.8158 0.4707 + 4GLN CD 37 1.159 1.684 2.031 0.0516 -0.2187 0.0162 + 4GLN OE1 38 1.146 1.720 1.917 -0.3740 -0.4504 0.1349 + 4GLN NE2 39 1.132 1.779 2.116 -0.7604 -0.9339 0.2696 + 4GLN HE21 40 1.147 1.780 2.216 0.2123 0.1256 0.1714 + 4GLN HE22 41 1.107 1.869 2.078 0.5158 -0.6499 0.0125 + 4GLN C 42 1.178 1.277 1.796 -0.7323 0.6697 -0.1766 + 4GLN O 43 1.215 1.162 1.825 0.2585 -0.3684 0.3118 + 5ALA N 44 1.099 1.300 1.689 -0.6261 0.9445 0.4530 + 5ALA H 45 1.073 1.395 1.666 -0.5957 1.0212 0.7273 + 5ALA CA 46 1.051 1.189 1.600 -0.0896 -0.1471 -0.4091 + 5ALA HA 47 1.013 1.106 1.660 -0.0193 -0.7042 -1.1168 + 5ALA CB 48 0.935 1.233 1.507 0.0076 -0.2714 -0.3070 + 5ALA HB1 49 0.926 1.154 1.432 0.5162 -0.6834 0.0471 + 5ALA HB2 50 0.840 1.247 1.558 -0.0544 0.0970 -0.5193 + 5ALA HB3 51 0.960 1.331 1.466 -0.8751 0.0163 -0.1995 + 5ALA C 52 1.164 1.130 1.516 -0.0351 0.1455 0.0840 + 5ALA O 53 1.158 1.010 1.482 -0.0488 0.6141 0.3732 + 6ALA N 54 1.263 1.209 1.476 -0.3281 0.5050 0.5314 + 6ALA H 55 1.266 1.305 1.509 0.7235 0.4345 0.7187 + 6ALA CA 56 1.383 1.165 1.403 0.2775 -0.4938 0.1268 + 6ALA HA 57 1.354 1.089 1.331 0.1305 -0.5755 0.2698 + 6ALA CB 58 1.447 1.290 1.339 -0.0614 -0.2437 -0.0214 + 6ALA HB1 59 1.527 1.251 1.276 0.1002 0.9139 -0.5778 + 6ALA HB2 60 1.385 1.340 1.265 0.5115 -0.4438 -0.6589 + 6ALA HB3 61 1.482 1.357 1.418 0.6119 -0.2180 -0.3273 + 6ALA C 62 1.482 1.105 1.500 -0.1241 -0.3288 0.2918 + 6ALA O 63 1.569 1.033 1.452 0.2822 0.4289 0.3681 + 7ALA N 64 1.478 1.143 1.630 -0.1593 -0.4705 -0.0826 + 7ALA H 65 1.413 1.214 1.661 0.1993 -0.0873 -0.1948 + 7ALA CA 66 1.571 1.086 1.726 -0.7776 0.1939 0.0054 + 7ALA HA 67 1.669 1.123 1.696 -0.8256 -0.5044 -1.0954 + 7ALA CB 68 1.545 1.146 1.865 -0.8519 0.1173 0.8867 + 7ALA HB1 69 1.523 1.252 1.850 -1.2764 -0.1565 -0.8285 + 7ALA HB2 70 1.462 1.096 1.915 -0.3713 -0.9977 0.6128 + 7ALA HB3 71 1.628 1.122 1.932 -0.2438 0.6714 0.3554 + 7ALA C 72 1.573 0.933 1.726 -0.0815 0.4933 -0.4973 + 7ALA O 73 1.667 0.868 1.770 -0.0634 -0.4798 0.1170 + 8ALA N 74 1.461 0.872 1.687 -0.1329 -0.3435 -0.1918 + 8ALA H 75 1.383 0.928 1.658 0.0294 0.1766 0.3333 + 8ALA CA 76 1.442 0.729 1.672 -0.1175 -0.0163 -0.4322 + 8ALA HA 77 1.442 0.686 1.772 -0.2954 -0.1731 -0.4967 + 8ALA CB 78 1.303 0.707 1.612 -0.3054 -0.2710 0.3021 + 8ALA HB1 79 1.275 0.604 1.592 -1.3986 0.0260 0.1428 + 8ALA HB2 80 1.229 0.754 1.676 0.0570 -1.3153 1.5550 + 8ALA HB3 81 1.299 0.765 1.519 -1.2265 -0.1363 0.4052 + 8ALA C 82 1.552 0.656 1.592 -0.3625 0.5676 0.5772 + 8ALA O 83 1.583 0.541 1.627 -0.3634 -0.4697 0.5297 + 9GLN N 84 1.608 0.708 1.483 0.0077 0.0286 0.3338 + 9GLN H 85 1.572 0.801 1.464 -1.2717 -0.6009 -0.6281 + 9GLN CA 86 1.714 0.647 1.402 -1.0259 0.4012 -0.8760 + 9GLN HA 87 1.702 0.539 1.401 -0.5249 0.2513 1.2681 + 9GLN CB 88 1.698 0.685 1.253 0.1559 -0.7460 0.1733 + 9GLN HB2 89 1.763 0.624 1.190 -0.5174 -0.9889 -0.3068 + 9GLN HB3 90 1.591 0.677 1.231 0.2537 -0.7144 -0.3318 + 9GLN CG 91 1.736 0.832 1.213 0.2130 -0.0378 0.3779 + 9GLN HG2 92 1.665 0.889 1.272 -0.2741 -0.1481 -0.0864 + 9GLN HG3 93 1.841 0.853 1.233 0.2946 -0.3991 0.3395 + 9GLN CD 94 1.719 0.862 1.061 -0.0931 -0.5192 -0.4762 + 9GLN OE1 95 1.724 0.770 0.984 0.0462 -0.1044 0.1115 + 9GLN NE2 96 1.715 0.990 1.020 -0.7693 1.0127 -0.3816 + 9GLN HE21 97 1.715 1.065 1.088 -1.4117 0.4086 0.3103 + 9GLN HE22 98 1.700 1.005 0.921 -0.2415 0.1843 -0.6104 + 9GLN C 99 1.861 0.668 1.455 0.0987 0.3011 -0.1419 + 9GLN O 100 1.953 0.617 1.386 0.2651 0.0025 -0.0067 + 10ALA N 101 1.874 0.737 1.570 0.4796 0.1109 -0.0636 + 10ALA H 102 1.787 0.763 1.613 0.5343 -0.7012 0.5913 + 10ALA CA 103 1.995 0.748 1.654 0.7854 -0.0696 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1.614 3.641 -0.3365 -0.1389 0.7625 + 790SOL OW 2426 3.140 1.072 1.962 0.1984 0.5622 0.3695 + 790SOL HW1 2427 3.045 1.074 1.968 0.1318 -0.3719 0.0036 + 790SOL HW2 2428 3.160 1.117 1.880 -0.0440 -0.3681 -0.2284 + 791SOL OW 2429 1.075 3.244 3.953 -0.5939 -0.6724 -0.1171 + 791SOL HW1 2430 1.149 3.223 3.897 -0.0053 0.2180 0.2789 + 791SOL HW2 2431 1.046 3.330 3.923 -0.8551 -0.5944 0.3414 + 792SOL OW 2432 0.135 1.358 0.160 0.4619 -0.4636 0.4016 + 792SOL HW1 2433 0.220 1.400 0.148 0.3830 -0.5845 -0.9337 + 792SOL HW2 2434 0.153 1.264 0.150 0.2010 -0.5002 0.2409 + 793SOL OW 2435 0.877 2.450 3.335 0.0964 0.1153 0.1367 + 793SOL HW1 2436 0.789 2.436 3.300 -0.6991 0.1065 1.9257 + 793SOL HW2 2437 0.929 2.376 3.302 -0.4570 0.2456 -1.1409 + 794SOL OW 2438 0.311 1.322 0.662 -0.1069 0.5221 0.1477 + 794SOL HW1 2439 0.329 1.249 0.601 -1.0986 -0.0306 0.4672 + 794SOL HW2 2440 0.389 1.326 0.717 -0.3125 -0.8633 0.6378 + 795SOL OW 2441 3.550 1.822 3.675 -0.0340 -0.2747 -0.6825 + 795SOL HW1 2442 3.486 1.824 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-0.3172 -0.3556 0.3943 + 801SOL HW1 2460 3.260 2.719 2.349 -0.0091 -0.3472 0.5801 + 801SOL HW2 2461 3.215 2.598 2.429 0.5564 -0.3465 0.9102 + 802SOL OW 2462 1.464 3.914 0.996 -0.0070 -0.5741 0.0251 + 802SOL HW1 2463 1.480 3.978 1.065 -0.7633 -0.0090 -0.2909 + 802SOL HW2 2464 1.410 3.961 0.932 -0.0026 -1.3252 -0.5602 + 803SOL OW 2465 0.773 0.942 1.106 -0.2272 0.2179 0.3528 + 803SOL HW1 2466 0.764 1.035 1.087 -1.4607 0.0647 -0.0279 + 803SOL HW2 2467 0.683 0.909 1.108 0.1677 -1.2579 -1.1357 + 804SOL OW 2468 1.510 3.222 3.485 -0.1812 -0.0063 0.4099 + 804SOL HW1 2469 1.424 3.210 3.525 -0.4214 0.4497 0.0589 + 804SOL HW2 2470 1.555 3.282 3.545 -0.0336 -0.3900 0.6895 + 805SOL OW 2471 0.174 2.807 2.208 0.6003 0.2155 0.1478 + 805SOL HW1 2472 0.083 2.804 2.178 0.7114 -0.2072 -0.1539 + 805SOL HW2 2473 0.188 2.722 2.249 0.6619 0.5279 0.8074 + 806SOL OW 2474 2.199 3.066 1.340 -0.1934 0.3804 -0.1503 + 806SOL HW1 2475 2.276 3.115 1.310 -0.1646 0.2370 -0.3147 + 806SOL HW2 2476 2.149 3.049 1.260 -0.1395 0.0352 -0.1134 + 807SOL OW 2477 0.153 3.117 0.475 -0.0533 -0.2922 0.5363 + 807SOL HW1 2478 0.241 3.081 0.469 -0.1123 -0.3542 -0.1127 + 807SOL HW2 2479 0.096 3.041 0.488 -0.0142 -0.2517 0.9614 + 808SOL OW 2480 2.195 3.605 1.786 0.0453 0.6544 0.2532 + 808SOL HW1 2481 2.288 3.594 1.766 -0.0369 -0.0489 0.2122 + 808SOL HW2 2482 2.163 3.661 1.716 -0.0005 -0.8639 -1.0481 + 809SOL OW 2483 3.277 3.447 1.258 0.3666 0.3368 -0.5552 + 809SOL HW1 2484 3.325 3.411 1.183 0.4285 0.0407 -0.3737 + 809SOL HW2 2485 3.334 3.431 1.333 -0.9966 -2.4023 0.1587 + 810SOL OW 2486 1.908 0.027 2.661 -0.4854 0.2518 0.2617 + 810SOL HW1 2487 1.846 0.026 2.588 0.0712 -0.3004 -0.2205 + 810SOL HW2 2488 1.974 0.091 2.634 0.2628 -0.6709 -0.2177 + 811SOL OW 2489 1.712 2.479 3.244 -0.3837 0.1238 0.0000 + 811SOL HW1 2490 1.702 2.471 3.338 -0.6873 1.1876 0.0809 + 811SOL HW2 2491 1.656 2.553 3.220 0.9594 0.9846 -0.7563 + 812SOL OW 2492 2.756 1.704 3.327 0.3587 -0.7540 0.0270 + 812SOL HW1 2493 2.790 1.780 3.280 -0.4223 -0.0913 0.4941 + 812SOL HW2 2494 2.810 1.631 3.296 1.2078 -0.0026 -0.3486 + 813SOL OW 2495 0.653 0.142 2.415 0.7606 -0.6501 -0.3739 + 813SOL HW1 2496 0.683 0.227 2.383 0.2456 -0.4436 -0.3271 + 813SOL HW2 2497 0.655 0.151 2.511 0.3463 -0.5546 -0.3706 + 814SOL OW 2498 1.993 0.940 3.758 0.3542 -0.4985 0.5662 + 814SOL HW1 2499 2.031 0.909 3.676 0.3099 -0.7203 0.6271 + 814SOL HW2 2500 1.918 0.993 3.731 1.0710 0.4988 0.4204 + 815SOL OW 2501 2.469 2.804 3.844 0.2146 0.2118 -0.3387 + 815SOL HW1 2502 2.452 2.710 3.831 2.1030 -0.1516 -0.7524 + 815SOL HW2 2503 2.511 2.832 3.763 1.1962 0.9912 0.3957 + 816SOL OW 2504 1.140 2.751 0.855 0.2641 -0.4766 -0.5201 + 816SOL HW1 2505 1.045 2.740 0.857 0.2130 -0.0305 -0.2595 + 816SOL HW2 2506 1.174 2.679 0.908 0.0240 -0.2120 0.0123 + 817SOL OW 2507 3.936 0.451 1.128 0.2013 0.1411 -0.5908 + 817SOL HW1 2508 3.938 0.433 1.223 -0.3724 0.8184 -0.4346 + 817SOL HW2 2509 3.843 0.453 1.107 0.3265 0.0783 -1.1601 + 818SOL OW 2510 0.121 2.145 1.691 -0.1893 -0.1521 -0.4469 + 818SOL HW1 2511 0.079 2.154 1.606 0.5487 0.1323 -0.8027 + 818SOL HW2 2512 0.128 2.235 1.724 0.6500 -0.1171 -0.6702 + 819SOL OW 2513 3.452 1.317 1.162 -0.2519 -0.2886 -0.3575 + 819SOL HW1 2514 3.542 1.312 1.192 -0.2280 1.4070 0.0756 + 819SOL HW2 2515 3.450 1.266 1.081 0.9925 -0.6547 -0.1955 + 820SOL OW 2516 1.392 3.413 2.068 -0.6524 0.5417 -0.1792 + 820SOL HW1 2517 1.474 3.448 2.031 -0.1353 0.0502 0.4517 + 820SOL HW2 2518 1.358 3.484 2.123 -0.6313 0.7287 -0.4008 + 821SOL OW 2519 2.339 2.732 2.032 0.5705 0.2755 -0.0064 + 821SOL HW1 2520 2.306 2.721 2.121 1.2089 0.4077 0.2567 + 821SOL HW2 2521 2.350 2.826 2.021 0.6873 0.2470 -0.1490 + 822SOL OW 2522 0.562 0.688 1.787 -0.0123 -0.2517 -0.0559 + 822SOL HW1 2523 0.507 0.610 1.789 0.1433 -0.3815 -0.5812 + 822SOL HW2 2524 0.634 0.669 1.846 0.0035 -0.4890 -0.1514 + 823SOL OW 2525 0.665 1.495 2.709 -0.0528 -0.0850 -0.8111 + 823SOL HW1 2526 0.706 1.575 2.739 -0.5864 -0.2890 0.6239 + 823SOL HW2 2527 0.735 1.429 2.710 -0.0906 -0.1663 0.4765 + 824SOL OW 2528 3.922 0.805 0.540 0.5435 -0.2443 -0.3939 + 824SOL HW1 2529 3.851 0.869 0.551 0.8853 0.0770 0.0188 + 824SOL HW2 2530 3.921 0.753 0.620 0.6507 -0.3618 -0.4688 + 825SOL OW 2531 0.490 2.386 1.738 -0.2165 -0.2730 -0.8585 + 825SOL HW1 2532 0.411 2.439 1.736 -0.1455 -0.0552 0.2919 + 825SOL HW2 2533 0.465 2.307 1.786 0.4163 0.1828 0.3256 + 826SOL OW 2534 0.631 0.653 1.302 -0.2210 0.2321 0.2575 + 826SOL HW1 2535 0.573 0.584 1.334 -0.9339 0.6349 -0.1276 + 826SOL HW2 2536 0.681 0.613 1.231 0.2945 -0.2321 0.8527 + 827SOL OW 2537 1.878 3.053 0.789 -0.4427 0.2980 0.4283 + 827SOL HW1 2538 1.846 2.970 0.826 0.6906 0.1423 1.1511 + 827SOL HW2 2539 1.906 3.031 0.701 -0.5404 0.0067 0.4683 + 828SOL OW 2540 2.694 3.373 3.602 0.6484 -0.2258 0.3532 + 828SOL HW1 2541 2.697 3.464 3.572 -0.7169 -0.6718 -1.4617 + 828SOL HW2 2542 2.776 3.334 3.571 0.6164 0.0628 -0.1037 + 829SOL OW 2543 2.628 3.300 3.206 0.0416 0.1320 0.1138 + 829SOL HW1 2544 2.573 3.366 3.249 0.0093 0.5744 -0.5884 + 829SOL HW2 2545 2.607 3.306 3.113 -0.8546 -1.6977 0.0984 + 830SOL OW 2546 2.718 3.621 0.665 0.7354 0.3084 0.0263 + 830SOL HW1 2547 2.671 3.544 0.633 1.1619 0.0423 0.0234 + 830SOL HW2 2548 2.789 3.585 0.719 1.0987 0.6857 -0.1837 + 831SOL OW 2549 2.334 0.878 0.962 0.0024 0.1512 -0.4943 + 831SOL HW1 2550 2.244 0.908 0.977 0.4051 0.8773 0.7328 + 831SOL HW2 2551 2.388 0.934 1.018 1.1227 -0.9300 -0.4089 + 832SOL OW 2552 3.700 1.221 0.085 0.1560 -0.2290 0.2982 + 832SOL HW1 2553 3.767 1.158 0.112 0.0467 0.0617 1.3460 + 832SOL HW2 2554 3.647 1.235 0.164 -1.5778 -0.9460 -0.6308 + 833SOL OW 2555 3.696 1.969 3.258 -0.2175 -0.1713 -0.1350 + 833SOL HW1 2556 3.705 2.061 3.286 -0.5195 -0.2127 0.1101 + 833SOL HW2 2557 3.706 1.919 3.338 1.3195 -0.4561 -0.4506 + 834SOL OW 2558 1.276 0.303 2.289 0.0346 0.2225 0.3040 + 834SOL HW1 2559 1.224 0.375 2.254 0.0085 0.5744 1.0279 + 834SOL HW2 2560 1.226 0.224 2.269 -0.7347 0.5434 0.8728 + 835SOL OW 2561 2.328 2.078 2.486 0.2701 -0.2077 -0.2585 + 835SOL HW1 2562 2.396 2.127 2.440 0.3333 -0.5339 -0.5307 + 835SOL HW2 2563 2.348 2.088 2.579 0.4117 0.0898 -0.3209 + 836SOL OW 2564 3.159 0.305 2.459 0.3298 0.2041 0.1958 + 836SOL HW1 2565 3.119 0.390 2.475 0.4183 0.2673 0.0865 + 836SOL HW2 2566 3.235 0.325 2.405 -0.0110 -0.0154 -0.3766 + 837SOL OW 2567 0.750 1.977 0.592 0.2223 0.3277 -0.0801 + 837SOL HW1 2568 0.755 2.019 0.678 0.3551 0.0189 0.0654 + 837SOL HW2 2569 0.672 2.017 0.551 -0.2495 -0.0129 0.4522 + 838SOL OW 2570 0.308 1.912 0.201 -0.1428 0.2164 0.6722 + 838SOL HW1 2571 0.238 1.846 0.204 -0.0006 0.0288 -0.0132 + 838SOL HW2 2572 0.271 1.984 0.151 0.2937 -0.0611 -0.0712 + 839SOL OW 2573 0.644 3.684 1.077 0.0467 -0.2314 -0.2792 + 839SOL HW1 2574 0.692 3.707 0.997 -0.1255 -0.8795 -0.5801 + 839SOL HW2 2575 0.679 3.600 1.103 -0.0471 -0.1232 0.2195 + 840SOL OW 2576 2.182 2.977 0.706 -0.0692 0.2056 -0.0063 + 840SOL HW1 2577 2.142 2.934 0.782 0.1801 1.0239 0.6144 + 840SOL HW2 2578 2.115 2.972 0.637 -0.3931 -0.3370 0.3305 + 841SOL OW 2579 0.500 3.678 1.784 -0.3673 0.3085 0.9714 + 841SOL HW1 2580 0.410 3.669 1.754 -0.3438 1.4169 0.4652 + 841SOL HW2 2581 0.552 3.635 1.717 -0.4703 0.6148 0.6870 + 842SOL OW 2582 0.696 0.874 3.215 0.6404 -0.0627 0.2138 + 842SOL HW1 2583 0.692 0.797 3.271 -0.5166 -0.1709 0.0194 + 842SOL HW2 2584 0.735 0.842 3.133 1.4359 -0.1123 0.5907 + 843SOL OW 2585 0.157 1.709 1.893 -0.3304 0.0631 -0.3517 + 843SOL HW1 2586 0.143 1.778 1.828 -0.0476 0.6749 0.2089 + 843SOL HW2 2587 0.144 1.627 1.845 0.2137 0.4802 -1.2548 + 844SOL OW 2588 3.527 3.670 1.597 0.0018 -0.0430 -0.0526 + 844SOL HW1 2589 3.516 3.724 1.519 -0.7809 -0.6671 -0.4130 + 844SOL HW2 2590 3.586 3.600 1.570 1.3803 0.8032 0.5417 + 845SOL OW 2591 0.654 0.645 3.365 0.6150 0.1863 -0.5911 + 845SOL HW1 2592 0.589 0.575 3.362 0.5585 0.2267 -1.9624 + 845SOL HW2 2593 0.727 0.608 3.414 -0.2035 -0.0541 0.5141 + 846SOL OW 2594 2.024 3.492 1.955 -0.4180 -0.0908 0.5858 + 846SOL HW1 2595 2.024 3.560 2.023 -0.3344 0.4456 0.0651 + 846SOL HW2 2596 2.078 3.528 1.885 -0.6973 -0.5343 0.1289 + 847SOL OW 2597 0.652 3.038 1.978 -0.0210 -0.7659 -0.5366 + 847SOL HW1 2598 0.569 3.017 2.022 0.4412 -0.4617 0.5269 + 847SOL HW2 2599 0.644 3.130 1.955 0.1182 -0.6708 -0.2068 + 848SOL OW 2600 3.977 3.119 2.316 -0.2387 -0.0049 0.2463 + 848SOL HW1 2601 3.936 3.162 2.392 -0.3334 -0.3265 0.3791 + 848SOL HW2 2602 3.903 3.091 2.262 -0.1958 -0.4475 0.4092 + 849SOL OW 2603 2.658 0.097 1.476 -0.0397 0.1079 -0.0879 + 849SOL HW1 2604 2.708 0.178 1.482 -0.2381 0.2810 -0.6829 + 849SOL HW2 2605 2.572 0.124 1.446 -0.0923 -0.3302 -0.3427 + 850SOL OW 2606 3.461 2.925 0.133 -0.5848 -0.2256 -0.3045 + 850SOL HW1 2607 3.544 2.885 0.161 -0.2403 -0.1711 -1.2012 + 850SOL HW2 2608 3.428 2.867 0.065 -1.3072 -0.2587 0.0628 + 851SOL OW 2609 0.751 2.318 2.951 0.0460 -0.1765 0.1103 + 851SOL HW1 2610 0.740 2.335 3.044 -0.1348 0.2978 0.0075 + 851SOL HW2 2611 0.700 2.386 2.908 0.6636 0.0235 -0.3420 + 852SOL OW 2612 3.633 0.292 3.948 0.3938 -0.5534 -0.6722 + 852SOL HW1 2613 3.659 0.366 4.002 -1.1765 -0.3344 -0.0935 + 852SOL HW2 2614 3.643 0.323 3.858 1.8334 -0.4718 -0.5303 + 853SOL OW 2615 3.820 2.068 3.766 -0.0769 -0.2411 -0.1752 + 853SOL HW1 2616 3.836 2.122 3.844 0.0596 -0.1676 -0.2529 + 853SOL HW2 2617 3.835 1.979 3.796 0.2721 -0.1913 -0.1876 + 854SOL OW 2618 1.680 3.408 2.280 0.3816 -0.6340 -0.0224 + 854SOL HW1 2619 1.671 3.317 2.306 0.0803 -0.6000 -0.0008 + 854SOL HW2 2620 1.595 3.448 2.302 0.7060 -0.2132 0.5169 + 855SOL OW 2621 1.727 1.066 2.211 0.3386 0.0168 0.5114 + 855SOL HW1 2622 1.742 0.984 2.165 0.2094 0.1789 0.1767 + 855SOL HW2 2623 1.684 1.123 2.147 0.9316 0.5391 0.5575 + 856SOL OW 2624 0.627 0.518 2.504 0.4487 -0.3054 -0.1371 + 856SOL HW1 2625 0.587 0.605 2.505 0.1527 -0.4335 0.5775 + 856SOL HW2 2626 0.662 0.506 2.592 0.3931 -0.9455 -0.1902 + 857SOL OW 2627 0.665 1.750 2.088 0.2480 -0.1777 -0.5431 + 857SOL HW1 2628 0.614 1.677 2.122 -0.2694 0.1849 -0.5110 + 857SOL HW2 2629 0.605 1.796 2.029 0.6188 0.1213 -0.6988 + 858SOL OW 2630 2.944 0.331 2.059 -0.3954 0.0258 -0.1816 + 858SOL HW1 2631 2.971 0.397 2.123 -0.4278 -0.0355 -0.1043 + 858SOL HW2 2632 2.924 0.381 1.979 -0.3956 0.1060 -0.1313 + 859SOL OW 2633 1.630 0.154 3.861 -0.3536 0.8263 0.0741 + 859SOL HW1 2634 1.648 0.214 3.934 -0.3788 1.2744 -0.2757 + 859SOL HW2 2635 1.715 0.140 3.820 -0.0957 -0.4823 0.9464 + 860SOL OW 2636 1.603 0.388 0.064 0.4238 -0.4095 0.2040 + 860SOL HW1 2637 1.612 0.408 0.157 -1.0321 -0.9785 0.5132 + 860SOL HW2 2638 1.547 0.311 0.061 -0.0067 -0.0956 -1.1624 + 861SOL OW 2639 1.006 0.057 2.523 -0.2079 -0.7579 0.2261 + 861SOL HW1 2640 0.922 0.092 2.551 -0.0139 -0.4856 0.4947 + 861SOL HW2 2641 1.003 -0.036 2.545 -0.3059 -0.6776 0.5635 + 862SOL OW 2642 0.004 1.043 2.246 0.0351 -0.1642 0.3469 + 862SOL HW1 2643 0.080 1.102 2.253 0.0383 -0.1195 -0.0460 + 862SOL HW2 2644 -0.029 1.057 2.158 0.2220 -0.9826 0.1350 + 863SOL OW 2645 2.477 0.139 3.720 0.0321 0.8445 0.5741 + 863SOL HW1 2646 2.436 0.077 3.781 -0.8100 0.0792 -0.6517 + 863SOL HW2 2647 2.403 0.190 3.686 0.5589 1.6664 0.6355 + 864SOL OW 2648 2.069 1.434 3.251 -0.9455 0.1625 -0.4433 + 864SOL HW1 2649 2.127 1.469 3.183 -1.3963 0.4107 -0.7059 + 864SOL HW2 2650 2.129 1.395 3.315 -0.4933 0.3182 -0.7591 + 865SOL OW 2651 2.102 2.230 0.550 -1.0006 0.1596 -0.2813 + 865SOL HW1 2652 2.029 2.184 0.592 -0.2640 -0.5875 0.2538 + 865SOL HW2 2653 2.150 2.270 0.622 -0.4026 -0.0994 -0.5274 + 866SOL OW 2654 2.040 1.764 0.769 0.0260 -0.6439 -0.1606 + 866SOL HW1 2655 2.010 1.674 0.754 1.3197 -1.1782 0.2454 + 866SOL HW2 2656 2.077 1.792 0.686 0.7767 -0.9752 0.0526 + 867SOL OW 2657 0.863 0.554 3.560 0.3319 -0.6545 0.6588 + 867SOL HW1 2658 0.948 0.594 3.577 -0.2353 0.5116 0.9331 + 867SOL HW2 2659 0.854 0.487 3.628 1.1105 -0.9485 0.4887 + 868SOL OW 2660 0.389 2.096 0.851 -0.1706 -0.3257 0.4627 + 868SOL HW1 2661 0.352 2.046 0.778 -0.5272 0.0747 0.3593 + 868SOL HW2 2662 0.402 2.031 0.920 -0.2667 -0.6280 0.2013 + 869SOL OW 2663 2.805 1.323 3.414 0.1852 -1.1054 0.1562 + 869SOL HW1 2664 2.851 1.348 3.494 -0.0670 -1.1550 0.3196 + 869SOL HW2 2665 2.845 1.376 3.345 0.0655 -0.6940 0.3977 + 870SOL OW 2666 0.538 2.874 1.017 -0.1213 -0.3148 -0.2706 + 870SOL HW1 2667 0.500 2.794 1.055 -0.7887 -0.8405 -1.8693 + 870SOL HW2 2668 0.623 2.883 1.061 -0.3638 -1.4408 0.5354 + 871SOL OW 2669 0.795 3.387 0.611 -0.4333 0.6224 -0.0522 + 871SOL HW1 2670 0.868 3.327 0.599 0.1376 0.9145 1.5464 + 871SOL HW2 2671 0.760 3.400 0.522 0.4322 -0.7547 -0.6654 + 872SOL OW 2672 1.305 2.227 0.124 -0.1190 0.1034 -0.8312 + 872SOL HW1 2673 1.366 2.288 0.166 0.7777 -0.4948 -1.2091 + 872SOL HW2 2674 1.313 2.147 0.176 0.4457 -0.4049 -1.6556 + 873SOL OW 2675 1.427 0.769 3.354 0.1778 -0.5945 -0.2078 + 873SOL HW1 2676 1.357 0.834 3.362 0.0057 -0.8207 0.1906 + 873SOL HW2 2677 1.437 0.757 3.260 0.1130 -0.1021 -0.2863 + 874SOL OW 2678 2.471 0.867 1.557 0.1376 -0.2601 0.1555 + 874SOL HW1 2679 2.507 0.940 1.608 0.1184 0.0560 -0.2664 + 874SOL HW2 2680 2.381 0.857 1.589 -0.0623 0.3108 -0.1936 + 875SOL OW 2681 2.827 1.298 1.591 -0.5892 -0.2726 -0.7943 + 875SOL HW1 2682 2.747 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2.031 0.3085 -0.0034 -0.1272 + 927SOL OW 2837 2.281 1.363 0.593 0.5309 0.0208 0.5235 + 927SOL HW1 2838 2.278 1.268 0.608 0.2338 -0.0407 0.0934 + 927SOL HW2 2839 2.318 1.373 0.505 -1.2164 0.2028 -0.2606 + 928SOL OW 2840 0.288 3.954 0.725 0.1101 0.0400 -0.0241 + 928SOL HW1 2841 0.325 3.871 0.754 -0.6691 -0.1348 0.5425 + 928SOL HW2 2842 0.301 4.013 0.799 0.6040 0.4099 -0.4006 + 929SOL OW 2843 0.793 0.240 1.279 0.2309 0.5843 0.6746 + 929SOL HW1 2844 0.725 0.306 1.294 -0.9067 0.0098 -1.1970 + 929SOL HW2 2845 0.746 0.156 1.278 1.1475 0.0339 0.3513 + 930SOL OW 2846 3.463 3.647 3.765 -0.1047 -0.2728 -0.1005 + 930SOL HW1 2847 3.477 3.688 3.679 -1.6190 0.5756 -0.0057 + 930SOL HW2 2848 3.377 3.678 3.793 0.0435 -1.0615 1.4442 + 931SOL OW 2849 2.623 3.813 2.491 -0.0767 0.1316 0.0506 + 931SOL HW1 2850 2.611 3.887 2.432 -0.7394 0.6813 0.8306 + 931SOL HW2 2851 2.539 3.766 2.488 -0.3823 0.5584 1.0318 + 932SOL OW 2852 0.462 3.773 2.179 -0.0954 -0.0534 0.1919 + 932SOL HW1 2853 0.368 3.763 2.188 -0.1247 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-0.0651 1.1964 + 1232SOL OW 3752 3.003 3.005 3.532 0.1825 -0.0026 -0.2385 + 1232SOL HW1 3753 2.971 3.093 3.516 0.2426 -0.2106 -1.8176 + 1232SOL HW2 3754 2.927 2.956 3.562 -0.1524 0.3001 -0.5828 + 1233SOL OW 3755 3.144 3.615 0.788 -0.9866 0.8763 -1.0602 + 1233SOL HW1 3756 3.231 3.654 0.774 -0.3406 0.2038 0.5457 + 1233SOL HW2 3757 3.089 3.689 0.816 -0.5766 1.1117 -0.8555 + 1234SOL OW 3758 3.720 2.368 3.870 -0.0574 0.0791 0.0262 + 1234SOL HW1 3759 3.650 2.374 3.935 -0.2128 -0.0494 -0.1274 + 1234SOL HW2 3760 3.800 2.367 3.921 -0.2052 -0.8723 0.2690 + 1235SOL OW 3761 3.025 1.937 3.583 0.0952 -0.1028 -0.0025 + 1235SOL HW1 3762 3.025 1.842 3.584 -0.0644 -0.1032 0.5334 + 1235SOL HW2 3763 2.932 1.962 3.584 0.1011 0.0706 -1.0449 + 1236SOL OW 3764 1.091 0.821 2.629 -0.3807 0.3064 0.3581 + 1236SOL HW1 3765 1.090 0.797 2.536 0.3202 0.6948 0.2331 + 1236SOL HW2 3766 1.040 0.902 2.634 -0.4269 0.2798 0.3145 + 1237SOL OW 3767 2.460 3.873 0.153 -0.0420 0.2883 -0.2632 + 1237SOL HW1 3768 2.461 3.782 0.181 0.5706 0.2246 -0.4587 + 1237SOL HW2 3769 2.533 3.880 0.092 -0.1404 0.8879 -0.3256 + 1238SOL OW 3770 3.544 0.042 3.806 -0.2129 -0.2441 -0.1364 + 1238SOL HW1 3771 3.576 0.040 3.896 -0.2355 -0.8312 -0.1342 + 1238SOL HW2 3772 3.556 -0.048 3.774 -0.4679 -0.1115 -0.6239 + 1239SOL OW 3773 2.364 3.254 0.262 0.5080 -0.1536 -0.3329 + 1239SOL HW1 3774 2.407 3.169 0.271 0.8754 0.1198 0.8138 + 1239SOL HW2 3775 2.431 3.317 0.286 -0.4684 0.2893 1.7375 + 1240SOL OW 3776 0.136 2.570 1.117 -0.7087 0.2288 0.2696 + 1240SOL HW1 3777 0.109 2.530 1.034 0.3401 -0.0210 0.0124 + 1240SOL HW2 3778 0.134 2.664 1.100 0.1579 0.1680 -0.2963 + 1241SOL OW 3779 3.719 3.616 0.457 0.0127 0.1913 0.1498 + 1241SOL HW1 3780 3.795 3.625 0.399 -0.2091 0.8927 -0.0487 + 1241SOL HW2 3781 3.645 3.606 0.397 -0.3195 1.6355 0.2458 + 1242SOL OW 3782 3.649 3.235 3.700 0.0076 0.2497 0.2282 + 1242SOL HW1 3783 3.557 3.219 3.683 0.0691 0.0358 0.0957 + 1242SOL HW2 3784 3.696 3.190 3.629 0.2324 -0.0554 0.5625 + 1243SOL OW 3785 0.474 3.535 2.069 -0.0353 0.1819 -0.1729 + 1243SOL HW1 3786 0.504 3.617 2.108 1.0443 -0.3124 0.1229 + 1243SOL HW2 3787 0.419 3.562 1.995 -0.8587 1.1462 0.7247 + 1244SOL OW 3788 3.544 3.080 3.230 -0.4756 0.6527 -0.2082 + 1244SOL HW1 3789 3.466 3.130 3.205 -0.7111 -0.0295 -0.9501 + 1244SOL HW2 3790 3.509 2.995 3.258 -0.0008 0.3187 -0.6094 + 1245SOL OW 3791 2.004 1.565 1.202 0.3240 0.4591 -1.0606 + 1245SOL HW1 3792 2.037 1.538 1.116 -0.6201 -0.3040 -1.2169 + 1245SOL HW2 3793 2.057 1.641 1.225 0.8511 0.4607 -2.1448 + 1246SOL OW 3794 0.072 3.881 1.070 0.1199 -0.5105 0.1666 + 1246SOL HW1 3795 0.046 3.973 1.069 0.9538 -0.2522 0.3190 + 1246SOL HW2 3796 0.065 3.852 0.979 0.2182 -0.1789 0.0508 + 1247SOL OW 3797 1.681 0.053 0.510 -0.4565 0.1542 -0.0205 + 1247SOL HW1 3798 1.759 0.092 0.471 -0.3696 -0.4082 -0.4378 + 1247SOL HW2 3799 1.683 0.079 0.602 1.2628 -1.3762 0.4928 + 1248SOL OW 3800 1.146 3.622 3.448 -0.5913 -0.3542 0.2178 + 1248SOL HW1 3801 1.071 3.583 3.492 -1.0967 -0.3599 -0.6168 + 1248SOL HW2 3802 1.174 3.693 3.506 -1.2467 -0.3397 0.5269 + 1249SOL OW 3803 1.224 0.162 0.367 0.6131 0.1129 0.0038 + 1249SOL HW1 3804 1.171 0.103 0.313 -0.7422 -0.1127 1.4231 + 1249SOL HW2 3805 1.276 0.103 0.421 -0.2209 0.1623 0.9259 + 1250SOL OW 3806 2.359 3.030 1.969 -0.2094 -0.4572 -0.1212 + 1250SOL HW1 3807 2.347 3.088 2.044 -0.3591 -1.0121 0.2977 + 1250SOL HW2 3808 2.445 3.053 1.934 -0.4317 0.2818 -0.2106 + 1251SOL OW 3809 2.815 3.685 0.983 0.1338 0.4919 -0.3738 + 1251SOL HW1 3810 2.830 3.607 0.929 -0.2715 0.7570 -0.8755 + 1251SOL HW2 3811 2.891 3.740 0.968 0.4735 0.1671 0.0609 + 1252SOL OW 3812 0.119 2.776 3.573 0.3861 0.7281 0.4936 + 1252SOL HW1 3813 0.170 2.850 3.543 0.6357 0.0027 -1.0690 + 1252SOL HW2 3814 0.131 2.709 3.506 -1.7373 0.1131 0.5637 + 1253SOL OW 3815 0.670 2.509 2.644 -0.4764 -0.0078 -0.2473 + 1253SOL HW1 3816 0.592 2.493 2.697 -1.2151 0.7763 -1.0218 + 1253SOL HW2 3817 0.743 2.508 2.706 -1.2951 0.9168 0.8039 + 1254SOL OW 3818 3.840 0.823 0.218 0.1426 0.6849 0.1916 + 1254SOL HW1 3819 3.832 0.785 0.306 -1.4651 0.0369 -0.1566 + 1254SOL HW2 3820 3.888 0.757 0.168 -0.4193 0.2505 0.2045 + 1255SOL OW 3821 1.952 2.994 0.180 -0.1420 0.2519 -0.4140 + 1255SOL HW1 3822 1.871 3.036 0.152 0.7025 1.0208 -2.0421 + 1255SOL HW2 3823 1.993 3.057 0.239 -1.2907 -0.7692 1.6701 + 1256SOL OW 3824 2.905 0.732 0.719 -0.0366 0.2414 -0.0268 + 1256SOL HW1 3825 2.819 0.770 0.734 0.2630 0.6214 0.8400 + 1256SOL HW2 3826 2.888 0.639 0.705 -0.5611 0.2336 0.5697 + 1257SOL OW 3827 0.841 0.145 3.639 0.3614 0.0940 -0.2094 + 1257SOL HW1 3828 0.801 0.167 3.555 -0.2808 -0.1703 0.0169 + 1257SOL HW2 3829 0.903 0.074 3.618 -0.1733 -0.3328 -0.3918 + 1258SOL OW 3830 1.381 3.056 2.593 -0.9589 0.1334 0.2134 + 1258SOL HW1 3831 1.403 3.125 2.530 -1.0350 -0.2658 -0.2564 + 1258SOL HW2 3832 1.300 3.017 2.560 -1.2457 0.2001 0.7976 + 1259SOL OW 3833 2.850 0.142 2.692 -0.4043 0.3340 0.4773 + 1259SOL HW1 3834 2.823 0.152 2.783 -0.7794 0.0794 0.3949 + 1259SOL HW2 3835 2.894 0.057 2.689 -0.5941 0.2387 0.3739 + 1260SOL OW 3836 1.536 1.805 0.516 0.4407 -0.3859 -0.8163 + 1260SOL HW1 3837 1.518 1.711 0.508 -0.2576 -0.3101 -0.2940 + 1260SOL HW2 3838 1.450 1.846 0.526 0.7541 0.2733 -0.6781 + 1261SOL OW 3839 0.388 0.289 2.878 0.5830 0.0165 0.3445 + 1261SOL HW1 3840 0.358 0.308 2.788 1.4553 1.1760 0.2495 + 1261SOL HW2 3841 0.425 0.201 2.873 0.1617 -0.1425 -0.2944 + 1262SOL OW 3842 3.667 1.326 0.915 1.0595 -0.3082 0.4692 + 1262SOL HW1 3843 3.610 1.403 0.916 0.7269 -0.4475 -1.3656 + 1262SOL HW2 3844 3.747 1.355 0.957 0.6516 0.7877 0.5431 + 1263SOL OW 3845 3.516 2.388 2.448 0.4693 0.0606 0.4336 + 1263SOL HW1 3846 3.501 2.444 2.524 -0.5358 0.0982 0.2266 + 1263SOL HW2 3847 3.513 2.299 2.483 -0.1186 0.0735 0.4309 + 1264SOL OW 3848 3.523 0.837 2.454 -0.0419 0.0093 0.6257 + 1264SOL HW1 3849 3.434 0.859 2.479 0.1899 0.6142 0.9658 + 1264SOL HW2 3850 3.563 0.921 2.430 0.1193 -0.3839 -0.6275 + 1265SOL OW 3851 3.841 0.363 0.669 -0.0185 -0.0820 -0.0001 + 1265SOL HW1 3852 3.804 0.291 0.721 0.2666 0.4865 1.0417 + 1265SOL HW2 3853 3.815 0.343 0.579 -0.6571 -1.0447 0.3643 + 1266SOL OW 3854 0.453 1.791 3.716 0.0059 0.2524 0.0387 + 1266SOL HW1 3855 0.447 1.717 3.655 0.8217 0.6577 -0.5851 + 1266SOL HW2 3856 0.527 1.770 3.772 0.8147 0.9310 -0.7011 + 1267SOL OW 3857 0.243 2.771 3.016 -0.1959 0.2415 -0.1864 + 1267SOL HW1 3858 0.216 2.750 2.926 0.5287 -1.0408 -0.1543 + 1267SOL HW2 3859 0.325 2.819 3.005 0.1205 -0.2846 -0.2404 + 1268SOL OW 3860 3.456 0.441 3.110 0.5611 0.2408 0.3070 + 1268SOL HW1 3861 3.448 0.531 3.077 -0.3654 -0.4123 -1.5131 + 1268SOL HW2 3862 3.367 0.417 3.136 0.7848 -0.2115 0.6978 + 1269SOL OW 3863 3.872 1.473 0.073 0.0105 0.7218 0.4970 + 1269SOL HW1 3864 3.811 1.399 0.063 0.4241 0.4355 -0.0586 + 1269SOL HW2 3865 3.957 1.431 0.085 0.1496 1.1174 0.9354 + 1270SOL OW 3866 1.024 2.348 2.446 0.7541 -0.0314 -0.1104 + 1270SOL HW1 3867 0.942 2.340 2.397 0.8013 0.0033 -0.1947 + 1270SOL HW2 3868 1.000 2.396 2.525 0.8846 0.8508 -0.5895 + 1271SOL OW 3869 3.025 0.674 2.909 -0.1284 -0.0949 -0.0104 + 1271SOL HW1 3870 2.973 0.753 2.895 -1.2307 -0.7549 0.1194 + 1271SOL HW2 3871 3.046 0.674 3.002 0.5048 0.3921 -0.1426 + 1272SOL OW 3872 2.739 3.312 2.905 0.0833 0.5135 0.3804 + 1272SOL HW1 3873 2.827 3.349 2.912 -0.0993 0.9381 0.4874 + 1272SOL HW2 3874 2.694 3.368 2.842 -0.2540 0.5812 0.6804 + 1273SOL OW 3875 1.280 2.395 2.415 -0.3886 0.1918 0.2739 + 1273SOL HW1 3876 1.195 2.361 2.443 -0.4149 0.1444 0.1380 + 1273SOL HW2 3877 1.275 2.489 2.430 -0.9730 0.3969 -0.9991 + 1274SOL OW 3878 0.285 0.344 2.632 -0.0279 -0.1093 0.0013 + 1274SOL HW1 3879 0.300 0.362 2.539 -0.3436 0.0109 -0.0317 + 1274SOL HW2 3880 0.290 0.430 2.674 0.1130 -0.1635 0.0971 + 1275SOL OW 3881 0.768 2.023 0.230 0.3449 -0.0454 0.0566 + 1275SOL HW1 3882 0.847 2.077 0.223 0.3357 -0.1522 -1.2935 + 1275SOL HW2 3883 0.701 2.082 0.265 0.5510 0.5930 -0.5901 + 1276SOL OW 3884 0.421 1.279 2.033 -0.2099 -0.0641 -0.2775 + 1276SOL HW1 3885 0.498 1.247 2.080 -0.1844 0.5403 0.1153 + 1276SOL HW2 3886 0.448 1.363 1.997 -0.7426 0.2543 0.0398 + 1277SOL OW 3887 2.321 1.874 0.072 0.5288 -0.1612 -0.3036 + 1277SOL HW1 3888 2.294 1.965 0.082 1.8913 0.3146 -0.5803 + 1277SOL HW2 3889 2.301 1.854 -0.020 0.4760 -0.0467 -0.3175 + 1278SOL OW 3890 2.439 0.358 0.663 0.2160 0.6119 -0.2381 + 1278SOL HW1 3891 2.357 0.310 0.679 0.1274 0.2290 -1.5898 + 1278SOL HW2 3892 2.492 0.298 0.610 0.9562 1.2491 -0.2547 + 1279SOL OW 3893 1.438 3.381 0.227 -0.8116 0.0629 -0.5068 + 1279SOL HW1 3894 1.415 3.290 0.209 0.0680 -0.1041 -0.8643 + 1279SOL HW2 3895 1.455 3.384 0.321 -2.9860 0.3891 -0.0042 + 1280SOL OW 3896 2.413 3.280 1.203 -0.2844 0.3593 -0.0696 + 1280SOL HW1 3897 2.502 3.266 1.234 0.0941 0.3020 -1.0889 + 1280SOL HW2 3898 2.389 3.367 1.236 0.0830 0.3086 0.3405 + 1281SOL OW 3899 1.294 3.875 1.677 0.1872 0.0931 -0.0130 + 1281SOL HW1 3900 1.282 3.935 1.750 0.8055 -0.1832 0.3350 + 1281SOL HW2 3901 1.356 3.918 1.619 -0.6827 0.5369 -0.6621 + 1282SOL OW 3902 0.072 0.047 3.478 0.5039 0.8992 -0.1413 + 1282SOL HW1 3903 0.088 -0.021 3.412 -2.0381 0.7004 -0.7395 + 1282SOL HW2 3904 0.097 0.005 3.561 0.2776 -0.2839 -0.6306 + 1283SOL OW 3905 0.275 0.408 2.010 -0.3075 -0.3046 -0.2526 + 1283SOL HW1 3906 0.307 0.367 1.930 -0.6499 0.1644 -0.6483 + 1283SOL HW2 3907 0.354 0.431 2.059 -0.0463 0.2475 -0.9010 + 1284SOL OW 3908 1.845 3.157 1.405 -0.0879 -0.3552 -0.0392 + 1284SOL HW1 3909 1.856 3.065 1.381 -1.1266 -0.6478 0.4627 + 1284SOL HW2 3910 1.833 3.156 1.500 -0.1821 0.2900 -0.0332 + 1285SOL OW 3911 0.623 3.517 2.933 -0.2037 -0.5039 -0.0667 + 1285SOL HW1 3912 0.647 3.607 2.912 -0.1445 -0.2424 0.9870 + 1285SOL HW2 3913 0.589 3.481 2.851 -0.8858 0.6911 -0.3600 + 1286SOL OW 3914 2.381 2.641 1.117 -0.0903 -0.1207 -0.0992 + 1286SOL HW1 3915 2.314 2.630 1.050 -0.2016 0.3507 -0.0764 + 1286SOL HW2 3916 2.456 2.592 1.085 -0.0513 0.3176 -0.7141 + 1287SOL OW 3917 1.592 1.357 2.179 -0.2049 -0.0729 0.3601 + 1287SOL HW1 3918 1.631 1.367 2.265 0.0593 -0.5811 0.3054 + 1287SOL HW2 3919 1.500 1.340 2.196 -0.0270 -0.9004 0.5856 + 1288SOL OW 3920 3.897 1.427 3.237 0.0206 -0.3236 -0.4873 + 1288SOL HW1 3921 3.938 1.432 3.150 -0.3291 -0.1352 -0.6488 + 1288SOL HW2 3922 3.867 1.337 3.244 -0.6033 -0.1678 -0.8851 + 1289SOL OW 3923 0.657 1.482 3.028 0.0519 0.3184 0.6446 + 1289SOL HW1 3924 0.647 1.395 2.991 0.0601 0.4186 0.4046 + 1289SOL HW2 3925 0.749 1.487 3.053 0.2808 0.5821 -0.1830 + 1290SOL OW 3926 1.052 1.677 2.890 -0.3275 0.4079 0.2697 + 1290SOL HW1 3927 0.986 1.702 2.826 0.3591 0.2143 -0.5416 + 1290SOL HW2 3928 1.116 1.748 2.888 0.4257 -0.2568 -0.3204 + 1291SOL OW 3929 1.143 2.474 2.752 0.7086 0.2296 0.2535 + 1291SOL HW1 3930 1.159 2.568 2.764 1.4163 0.1235 0.2080 + 1291SOL HW2 3931 1.230 2.435 2.751 0.3973 -0.5222 0.9782 + 1292SOL OW 3932 2.556 2.897 0.091 0.0558 -0.1878 0.1198 + 1292SOL HW1 3933 2.508 2.865 0.015 1.0626 -0.4258 -0.4471 + 1292SOL HW2 3934 2.605 2.973 0.059 0.0301 0.0817 0.6942 + 1293SOL OW 3935 0.243 3.772 2.649 -0.0901 0.2825 -0.1780 + 1293SOL HW1 3936 0.195 3.853 2.630 -0.9480 -0.1199 0.2183 + 1293SOL HW2 3937 0.213 3.710 2.583 0.6314 0.2834 -0.5347 + 1294SOL OW 3938 3.480 1.013 3.561 0.1940 0.3680 0.7778 + 1294SOL HW1 3939 3.415 1.047 3.500 -0.2286 0.3644 1.2154 + 1294SOL HW2 3940 3.538 1.088 3.577 1.3536 -0.0558 -0.9034 + 1295SOL OW 3941 0.874 0.663 2.432 0.1511 0.2637 0.3596 + 1295SOL HW1 3942 0.828 0.725 2.488 0.2393 -0.2644 1.0457 + 1295SOL HW2 3943 0.828 0.667 2.348 -0.5369 0.4450 0.7297 + 1296SOL OW 3944 1.917 3.932 0.904 -0.2927 -0.0720 -0.5311 + 1296SOL HW1 3945 1.931 3.858 0.962 0.7154 0.7016 0.2869 + 1296SOL HW2 3946 2.003 3.951 0.866 -0.6900 0.1862 -1.3722 + 1297SOL OW 3947 0.135 1.029 1.237 -0.2159 -0.3544 -0.6075 + 1297SOL HW1 3948 0.137 0.999 1.328 -0.2190 1.1479 -0.0538 + 1297SOL HW2 3949 0.098 0.955 1.188 -0.4754 -1.1099 0.6414 + 1298SOL OW 3950 2.658 0.736 3.737 -0.0039 0.0082 0.1761 + 1298SOL HW1 3951 2.631 0.672 3.671 -1.2288 0.3474 0.3032 + 1298SOL HW2 3952 2.709 0.686 3.800 0.3555 -0.5149 -0.5041 + 1299SOL OW 3953 0.706 0.681 2.213 0.4968 0.4091 0.0496 + 1299SOL HW1 3954 0.642 0.752 2.210 -0.0351 -0.0736 -0.5203 + 1299SOL HW2 3955 0.654 0.601 2.215 1.0900 0.0232 0.7809 + 1300SOL OW 3956 0.113 3.474 3.955 -0.0257 -0.0515 0.3315 + 1300SOL HW1 3957 0.137 3.381 3.962 -0.3061 -0.1626 -0.0761 + 1300SOL HW2 3958 0.032 3.481 4.005 -0.4747 -0.2241 -0.3421 + 1301SOL OW 3959 3.788 3.074 2.865 0.3888 0.0025 -0.0174 + 1301SOL HW1 3960 3.821 2.987 2.886 1.2103 0.3459 0.1637 + 1301SOL HW2 3961 3.782 3.118 2.950 -0.3991 0.0172 -0.0580 + 1302SOL OW 3962 1.496 1.944 3.293 -0.0647 0.8893 -0.2969 + 1302SOL HW1 3963 1.433 1.979 3.230 -1.0231 1.5659 0.9472 + 1302SOL HW2 3964 1.442 1.897 3.357 0.7735 0.8571 0.4203 + 1303SOL OW 3965 2.890 1.052 1.119 0.1703 0.1532 0.1089 + 1303SOL HW1 3966 2.894 1.091 1.206 0.7769 -0.1568 0.2323 + 1303SOL HW2 3967 2.938 1.113 1.063 1.7487 -0.6781 0.4336 + 1304SOL OW 3968 0.300 3.048 2.950 -0.2636 -0.2159 0.8260 + 1304SOL HW1 3969 0.377 3.096 2.979 0.0995 -0.5276 0.3970 + 1304SOL HW2 3970 0.313 3.036 2.856 -1.3438 0.6628 0.5145 + 1305SOL 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0.7472 0.0475 -0.7126 + 1462SOL HW2 4444 0.891 3.231 3.110 -0.0580 -0.4822 -0.6026 + 1463SOL OW 4445 3.323 2.770 2.183 0.0769 -0.0185 0.0643 + 1463SOL HW1 4446 3.359 2.708 2.119 -0.1825 0.6783 -0.8028 + 1463SOL HW2 4447 3.242 2.802 2.142 -0.0005 0.5954 0.6644 + 1464SOL OW 4448 1.219 3.787 3.663 -0.0972 -0.1608 0.5964 + 1464SOL HW1 4449 1.307 3.812 3.635 0.4689 -2.4358 -0.1205 + 1464SOL HW2 4450 1.228 3.769 3.757 0.5445 -1.2418 0.3724 + 1465SOL OW 4451 1.061 2.491 0.135 -0.5281 0.3886 0.1862 + 1465SOL HW1 4452 1.145 2.537 0.135 -0.3899 0.1402 0.4008 + 1465SOL HW2 4453 1.022 2.512 0.050 0.7539 -1.3177 -0.9469 + 1466SOL OW 4454 0.824 0.334 3.367 -0.3220 0.6845 -0.4049 + 1466SOL HW1 4455 0.875 0.403 3.409 -0.4490 0.2091 0.5990 + 1466SOL HW2 4456 0.740 0.335 3.413 -0.3364 -0.1056 -0.3897 + 1467SOL OW 4457 1.424 3.904 2.573 -0.1146 -0.0453 0.0016 + 1467SOL HW1 4458 1.379 3.874 2.494 0.6948 -0.9894 -0.1311 + 1467SOL HW2 4459 1.446 3.995 2.554 0.3641 -0.3452 -1.0163 + 1468SOL OW 4460 3.213 1.693 3.751 -0.3628 0.6796 0.1030 + 1468SOL HW1 4461 3.235 1.732 3.666 1.0036 0.7803 0.4590 + 1468SOL HW2 4462 3.255 1.751 3.815 0.2046 -0.3713 0.7351 + 1469SOL OW 4463 0.726 0.768 3.759 0.2031 -0.4380 -0.3862 + 1469SOL HW1 4464 0.637 0.766 3.723 0.2376 -0.2121 -0.4828 + 1469SOL HW2 4465 0.731 0.689 3.813 -0.1502 -0.3127 -0.1625 + 1470SOL OW 4466 0.265 3.172 2.615 -0.2477 -0.6800 0.4924 + 1470SOL HW1 4467 0.266 3.105 2.546 -0.7459 -0.2051 0.0120 + 1470SOL HW2 4468 0.174 3.174 2.645 -0.5655 0.6275 -0.3752 + 1471SOL OW 4469 3.592 1.016 1.826 -0.2175 0.3190 -0.7123 + 1471SOL HW1 4470 3.526 0.954 1.798 -0.8091 0.3918 0.4222 + 1471SOL HW2 4471 3.672 0.988 1.781 -0.8747 -0.0988 -1.6835 + 1472SOL OW 4472 1.375 1.264 2.940 0.0934 -0.4222 -0.5938 + 1472SOL HW1 4473 1.452 1.315 2.964 0.3567 -0.9751 -0.2187 + 1472SOL HW2 4474 1.310 1.329 2.913 0.3092 0.1281 0.1612 + 1473SOL OW 4475 1.337 0.545 0.022 -0.0703 -1.1702 -0.1483 + 1473SOL HW1 4476 1.427 0.548 0.055 -0.0459 -0.6642 -0.2413 + 1473SOL HW2 4477 1.291 0.488 0.083 0.2163 -1.0906 0.1478 + 1474SOL OW 4478 1.272 0.927 3.928 0.0821 0.1421 -0.4912 + 1474SOL HW1 4479 1.357 0.885 3.924 0.0023 -0.0163 -0.5482 + 1474SOL HW2 4480 1.288 1.009 3.975 0.3317 0.2842 -0.8205 + 1475SOL OW 4481 3.873 0.764 0.872 0.0797 -0.3558 0.2282 + 1475SOL HW1 4482 3.951 0.782 0.925 0.1037 -0.8777 0.3875 + 1475SOL HW2 4483 3.819 0.842 0.881 0.3073 -0.2382 0.6239 + 1476SOL OW 4484 3.793 2.540 1.357 0.0664 -0.3480 -0.3778 + 1476SOL HW1 4485 3.746 2.470 1.313 -0.7526 -0.1989 0.2117 + 1476SOL HW2 4486 3.751 2.547 1.443 0.6713 0.3111 -0.1142 + 1477SOL OW 4487 2.236 0.304 3.925 0.4443 -0.5424 0.2306 + 1477SOL HW1 4488 2.154 0.328 3.968 0.4265 -0.7920 0.3385 + 1477SOL HW2 4489 2.295 0.279 3.996 1.1302 1.0440 0.3150 + 1478SOL OW 4490 0.911 0.895 3.610 0.1535 0.5305 0.1915 + 1478SOL HW1 4491 0.845 0.843 3.657 0.3162 -0.0007 -0.1432 + 1478SOL HW2 4492 0.866 0.927 3.532 0.1475 0.6053 0.2257 + 1479SOL OW 4493 2.849 3.216 2.607 -0.2548 0.1818 -0.6370 + 1479SOL HW1 4494 2.804 3.291 2.568 -0.6726 0.4851 0.3779 + 1479SOL HW2 4495 2.784 3.145 2.604 -0.4088 0.2989 -0.2160 + 1480SOL OW 4496 0.521 2.729 2.522 0.7205 0.0325 -0.6520 + 1480SOL HW1 4497 0.525 2.636 2.500 -0.5384 0.0295 -1.0061 + 1480SOL HW2 4498 0.571 2.772 2.453 0.3327 -0.3089 -1.1623 + 1481SOL OW 4499 2.571 3.717 2.135 0.0149 -0.1584 -0.3459 + 1481SOL HW1 4500 2.477 3.715 2.116 0.0771 0.2559 -0.7324 + 1481SOL HW2 4501 2.600 3.802 2.103 0.6208 -0.4791 -0.6811 + 1482SOL OW 4502 3.229 3.513 1.599 -0.0717 0.2630 0.5142 + 1482SOL HW1 4503 3.309 3.460 1.593 -0.2934 -0.0517 0.3052 + 1482SOL HW2 4504 3.245 3.571 1.673 0.6135 0.6395 0.1033 + 1483SOL OW 4505 1.751 0.388 2.689 0.0525 0.4751 -0.0559 + 1483SOL HW1 4506 1.847 0.386 2.683 0.1875 -2.5877 -0.0382 + 1483SOL HW2 4507 1.733 0.401 2.782 0.5294 0.1573 0.0904 + 1484SOL OW 4508 3.684 1.070 3.309 0.1372 -0.1117 0.3912 + 1484SOL HW1 4509 3.754 1.091 3.247 -0.0602 0.2706 0.2915 + 1484SOL HW2 4510 3.661 1.154 3.349 -0.2549 -0.2332 0.4323 + 1485SOL OW 4511 2.842 2.535 1.706 0.2952 -0.4134 -0.0827 + 1485SOL HW1 4512 2.788 2.458 1.687 0.2336 0.0591 -2.3408 + 1485SOL HW2 4513 2.931 2.510 1.682 0.4409 -0.0552 0.0569 + 1486SOL OW 4514 2.747 1.655 0.307 -0.0536 -0.2956 -0.2168 + 1486SOL HW1 4515 2.664 1.698 0.283 0.0657 -0.3680 -0.8029 + 1486SOL HW2 4516 2.740 1.640 0.401 -0.6219 -0.1172 -0.2204 + 1487SOL OW 4517 0.967 1.193 3.404 -0.0688 0.1573 0.1390 + 1487SOL HW1 4518 0.979 1.215 3.496 0.0608 0.0294 0.1542 + 1487SOL HW2 4519 0.887 1.141 3.401 -0.1779 0.3212 0.1518 + 1488SOL OW 4520 3.094 0.425 1.187 -0.2735 0.4967 -0.1329 + 1488SOL HW1 4521 3.119 0.493 1.124 -0.7634 1.0224 0.2157 + 1488SOL HW2 4522 3.013 0.389 1.152 -0.3462 0.5305 -0.0010 + 1489SOL OW 4523 1.447 3.550 2.332 -0.1208 0.3750 -0.4939 + 1489SOL HW1 4524 1.364 3.598 2.328 -0.3508 0.0818 0.4173 + 1489SOL HW2 4525 1.434 3.483 2.398 0.7468 0.1182 -0.5518 + 1490SOL OW 4526 2.702 0.043 1.043 -0.0620 0.1022 0.1530 + 1490SOL HW1 4527 2.627 0.102 1.047 0.3286 0.6953 -0.6486 + 1490SOL HW2 4528 2.736 0.054 0.954 0.1829 -1.1497 0.0561 + 1491SOL OW 4529 1.171 2.080 2.720 0.4635 0.0501 -0.5492 + 1491SOL HW1 4530 1.103 2.126 2.769 0.0238 -0.5961 -0.5440 + 1491SOL HW2 4531 1.126 2.042 2.644 0.7338 -0.6902 -0.3558 + 1492SOL OW 4532 2.569 1.610 3.969 -0.3997 -0.1532 0.3050 + 1492SOL HW1 4533 2.649 1.660 3.951 -0.8185 0.4208 -0.0706 + 1492SOL HW2 4534 2.513 1.672 4.016 -0.4535 -0.7022 0.9933 + 1493SOL OW 4535 1.952 1.912 2.627 -0.0308 -0.1797 -0.6593 + 1493SOL HW1 4536 1.949 1.822 2.660 -0.1697 0.2772 0.7440 + 1493SOL HW2 4537 1.863 1.929 2.596 -0.1036 -0.4197 -0.5864 + 1494SOL OW 4538 0.797 2.072 2.405 0.1404 -0.0524 0.5244 + 1494SOL HW1 4539 0.759 2.001 2.354 0.2656 1.0730 -1.2981 + 1494SOL HW2 4540 0.879 2.036 2.440 0.1885 -0.8198 -0.3236 + 1495SOL OW 4541 3.183 1.744 3.083 0.1455 0.0718 -0.5867 + 1495SOL HW1 4542 3.230 1.692 3.017 0.6179 0.1919 -0.3445 + 1495SOL HW2 4543 3.106 1.776 3.036 -0.0484 -0.6688 -0.8031 + 1496SOL OW 4544 0.250 3.836 1.590 -0.6769 -0.3057 -0.1000 + 1496SOL HW1 4545 0.193 3.760 1.593 -1.1425 0.0471 0.2210 + 1496SOL HW2 4546 0.191 3.911 1.586 -0.2353 0.0562 -0.0231 + 1497SOL OW 4547 2.236 1.079 3.459 -0.3497 0.0689 -0.3963 + 1497SOL HW1 4548 2.292 1.078 3.382 0.5431 -0.1908 0.2135 + 1497SOL HW2 4549 2.277 1.016 3.519 -1.7702 -0.7530 -0.2115 + 1498SOL OW 4550 0.397 1.612 3.512 0.1479 -0.4172 -0.2824 + 1498SOL HW1 4551 0.320 1.560 3.535 0.3496 -0.9279 -0.7093 + 1498SOL HW2 4552 0.462 1.548 3.482 0.4113 0.0705 -0.8214 + 1499SOL OW 4553 1.188 0.469 2.711 0.2369 0.4257 -0.4193 + 1499SOL HW1 4554 1.181 0.494 2.619 -0.3049 0.4515 -0.3781 + 1499SOL HW2 4555 1.179 0.374 2.711 -0.1208 0.4551 -0.3695 + 1500SOL OW 4556 3.480 2.748 1.387 0.2777 -0.2998 0.2615 + 1500SOL HW1 4557 3.516 2.836 1.389 0.3671 -0.3421 0.7208 + 1500SOL HW2 4558 3.432 2.739 1.470 -0.6267 -0.3175 -0.2385 + 1501SOL OW 4559 1.935 2.463 3.870 0.1550 -0.4046 -0.3244 + 1501SOL HW1 4560 1.911 2.418 3.951 -0.0365 0.9027 0.3886 + 1501SOL HW2 4561 1.853 2.471 3.822 0.2101 -0.8684 -0.5153 + 1502SOL OW 4562 0.111 0.156 1.855 -0.1332 -0.0872 0.2975 + 1502SOL HW1 4563 0.066 0.194 1.931 -0.5454 -0.5745 0.3052 + 1502SOL HW2 4564 0.186 0.111 1.892 0.6461 1.0880 0.2477 + 1503SOL OW 4565 1.470 0.278 0.508 -0.2986 -0.3161 0.0661 + 1503SOL HW1 4566 1.554 0.279 0.463 -0.1468 -0.0633 0.3460 + 1503SOL HW2 4567 1.439 0.188 0.500 0.0901 -0.4595 0.1267 + 1504SOL OW 4568 3.983 3.690 1.606 0.8729 0.4032 0.2940 + 1504SOL HW1 4569 3.965 3.742 1.528 0.0095 1.1787 0.9592 + 1504SOL HW2 4570 3.972 3.599 1.579 0.3951 0.6624 -0.4250 + 1505SOL OW 4571 1.610 0.530 2.514 0.5337 -0.0079 0.6269 + 1505SOL HW1 4572 1.641 0.484 2.593 0.8049 -0.1303 0.4529 + 1505SOL HW2 4573 1.659 0.489 2.443 0.3376 0.1493 0.4027 + 1506SOL OW 4574 2.827 3.664 2.408 0.3214 0.2137 0.6731 + 1506SOL HW1 4575 2.848 3.684 2.316 -1.4063 -0.7624 -0.0192 + 1506SOL HW2 4576 2.757 3.725 2.430 0.5563 0.2706 1.2851 + 1507SOL OW 4577 3.347 0.416 2.297 1.0760 -0.2849 0.2616 + 1507SOL HW1 4578 3.342 0.510 2.284 -0.1046 -0.3986 -0.2794 + 1507SOL HW2 4579 3.358 0.379 2.210 -0.3149 -0.7130 0.2208 + 1508SOL OW 4580 2.850 2.715 0.568 0.1110 -0.2178 -0.1277 + 1508SOL HW1 4581 2.832 2.677 0.482 1.1492 -0.5353 -0.2333 + 1508SOL HW2 4582 2.874 2.806 0.551 0.4989 -0.3305 -0.2095 + 1509SOL OW 4583 2.670 3.926 2.020 -0.7456 -0.2602 0.1613 + 1509SOL HW1 4584 2.698 4.000 2.074 0.3897 -0.5587 0.0285 + 1509SOL HW2 4585 2.699 3.950 1.931 -0.6246 -0.7357 0.0705 + 1510SOL OW 4586 2.305 0.486 3.033 0.3333 -0.3242 -0.0562 + 1510SOL HW1 4587 2.346 0.573 3.035 -0.8019 0.2736 -0.4036 + 1510SOL HW2 4588 2.212 0.504 3.051 0.1764 -1.5686 0.5678 + 1511SOL OW 4589 3.398 2.626 1.169 0.3055 -0.0254 0.2495 + 1511SOL HW1 4590 3.423 2.656 1.256 -0.0325 0.1875 0.2768 + 1511SOL HW2 4591 3.341 2.695 1.135 -0.0240 -0.3713 0.0848 + 1512SOL OW 4592 3.411 0.699 3.062 0.3958 -0.3132 -0.1173 + 1512SOL HW1 4593 3.328 0.745 3.077 0.4363 0.0980 -0.9812 + 1512SOL HW2 4594 3.474 0.744 3.118 0.2638 0.1707 -0.3420 + 1513SOL OW 4595 1.922 2.677 1.409 -0.4132 -0.4844 0.4708 + 1513SOL HW1 4596 2.010 2.682 1.372 -0.7523 0.8431 -0.2938 + 1513SOL HW2 4597 1.916 2.587 1.443 1.5012 -0.3931 1.3299 + 1514SOL OW 4598 3.707 0.962 0.595 0.2014 0.0837 0.1502 + 1514SOL HW1 4599 3.740 1.048 0.621 -0.7221 0.2660 0.8684 + 1514SOL HW2 4600 3.644 0.981 0.526 -0.7900 0.1554 1.0152 + 1515SOL OW 4601 3.070 0.642 0.196 0.2510 0.0269 -0.2487 + 1515SOL HW1 4602 3.143 0.598 0.238 -0.0844 -0.3632 -0.0624 + 1515SOL HW2 4603 2.995 0.586 0.213 -0.0686 0.3495 -0.5555 + 1516SOL OW 4604 1.365 1.835 0.165 -0.2558 0.0305 -0.2466 + 1516SOL HW1 4605 1.353 1.755 0.216 0.8341 -0.7849 -1.1824 + 1516SOL HW2 4606 1.377 1.903 0.231 0.9597 -0.9549 0.6344 + 1517SOL OW 4607 1.778 2.462 0.623 0.0150 -0.4572 -0.2643 + 1517SOL HW1 4608 1.728 2.385 0.596 0.0398 -0.3616 -0.6023 + 1517SOL HW2 4609 1.713 2.522 0.658 -0.0539 -0.4927 -0.3298 + 1518SOL OW 4610 0.008 1.786 3.634 0.2132 -0.6320 0.0580 + 1518SOL HW1 4611 -0.027 1.800 3.722 -0.1665 0.3375 -0.2238 + 1518SOL HW2 4612 0.093 1.829 3.635 -0.2028 0.2482 -0.3047 + 1519SOL OW 4613 2.720 1.238 2.276 -0.7675 -0.3736 -0.1072 + 1519SOL HW1 4614 2.794 1.178 2.269 1.0712 1.5740 0.4532 + 1519SOL HW2 4615 2.698 1.259 2.185 0.0109 -0.3266 -0.3005 + 1520SOL OW 4616 2.847 0.426 2.704 0.0257 -0.3703 -0.3309 + 1520SOL HW1 4617 2.936 0.461 2.694 -0.0913 -0.1662 -0.6810 + 1520SOL HW2 4618 2.856 0.332 2.687 0.2471 -0.4306 0.0749 + 1521SOL OW 4619 0.394 2.972 0.487 -0.1280 -0.3930 0.1004 + 1521SOL HW1 4620 0.473 3.016 0.458 -0.4445 0.3463 0.3115 + 1521SOL HW2 4621 0.423 2.911 0.554 0.3097 -0.4486 -0.1359 + 1522SOL OW 4622 0.588 2.091 3.112 0.2480 0.4209 -1.2136 + 1522SOL HW1 4623 0.535 2.126 3.183 -0.1400 -1.9784 -0.1193 + 1522SOL HW2 4624 0.667 2.144 3.112 -0.2092 1.1930 0.2734 + 1523SOL OW 4625 1.790 0.631 2.031 -0.3441 -0.0080 0.2224 + 1523SOL HW1 4626 1.827 0.719 2.025 0.3058 -0.3080 -0.5050 + 1523SOL HW2 4627 1.865 0.572 2.021 -0.8738 -0.6427 -0.1670 + 1524SOL OW 4628 1.767 0.363 1.854 -0.2555 -0.0673 -0.0482 + 1524SOL HW1 4629 1.761 0.455 1.877 0.2059 -0.0742 0.1198 + 1524SOL HW2 4630 1.676 0.335 1.840 -0.3606 0.5729 -0.7601 + 1525SOL OW 4631 2.184 1.343 2.805 0.4344 -0.3388 -0.5166 + 1525SOL HW1 4632 2.267 1.379 2.838 0.5129 -0.5264 -0.5112 + 1525SOL HW2 4633 2.205 1.253 2.780 0.0713 -0.5996 0.0941 + 1526SOL OW 4634 3.111 0.267 2.937 -0.0084 -0.5592 -0.6585 + 1526SOL HW1 4635 3.019 0.246 2.949 0.0040 0.0342 0.8709 + 1526SOL HW2 4636 3.111 0.332 2.866 -0.6456 -1.1506 -1.2337 + 1527SOL OW 4637 1.287 1.744 2.376 0.4551 0.0772 -0.4435 + 1527SOL HW1 4638 1.338 1.717 2.451 0.9623 0.5954 -0.5868 + 1527SOL HW2 4639 1.330 1.824 2.345 -0.7221 0.8483 -0.2588 + 1528SOL OW 4640 2.396 1.196 3.905 0.0188 0.1194 0.1819 + 1528SOL HW1 4641 2.305 1.207 3.876 -0.3261 -0.6678 0.8940 + 1528SOL HW2 4642 2.418 1.106 3.884 0.2665 -0.0180 0.9516 + 1529SOL OW 4643 3.683 1.568 1.215 0.5923 -0.3064 0.3678 + 1529SOL HW1 4644 3.699 1.474 1.227 0.6034 -0.2887 0.4864 + 1529SOL HW2 4645 3.615 1.590 1.279 0.2473 -0.3316 0.0178 + 1530SOL OW 4646 0.956 3.202 0.508 -0.0145 0.1583 0.0626 + 1530SOL HW1 4647 0.940 3.108 0.515 -1.1176 0.3057 -0.0496 + 1530SOL HW2 4648 0.999 3.213 0.423 0.9231 -0.3085 0.4538 + 1531SOL OW 4649 2.900 3.689 3.230 0.2797 -0.0773 -0.9214 + 1531SOL HW1 4650 2.885 3.595 3.224 -0.0312 -0.0879 -0.1992 + 1531SOL HW2 4651 2.960 3.700 3.304 -1.4076 0.3940 0.5203 + 1532SOL OW 4652 3.142 1.146 0.310 -0.3836 0.1091 0.5206 + 1532SOL HW1 4653 3.074 1.139 0.377 -0.1985 -1.0255 0.6285 + 1532SOL HW2 4654 3.100 1.115 0.230 -0.2301 0.2123 0.3983 + 1533SOL OW 4655 0.010 3.417 1.557 0.4344 0.2090 0.4133 + 1533SOL HW1 4656 0.068 3.342 1.568 0.8437 0.3393 -0.5584 + 1533SOL HW2 4657 0.002 3.426 1.462 -1.1949 0.2106 0.5005 + 1534SOL OW 4658 3.209 2.053 2.934 0.1318 -0.3373 -0.2073 + 1534SOL HW1 4659 3.156 2.034 2.856 -0.7395 -0.8226 0.4537 + 1534SOL HW2 4660 3.271 1.980 2.939 0.0240 -0.4387 -0.3183 + 1535SOL OW 4661 1.370 3.131 0.141 -0.2241 -0.0698 0.0321 + 1535SOL HW1 4662 1.307 3.067 0.173 0.2847 -0.7233 -0.2347 + 1535SOL HW2 4663 1.349 3.142 0.049 0.1688 -0.4498 -0.1099 + 1536SOL OW 4664 0.663 1.528 1.372 0.3709 -0.0541 -1.0009 + 1536SOL HW1 4665 0.598 1.458 1.372 0.7995 -0.4658 -0.8152 + 1536SOL HW2 4666 0.612 1.609 1.365 -0.3154 -0.2291 0.8597 + 1537SOL OW 4667 2.911 1.886 0.256 -0.1632 0.1208 -0.3870 + 1537SOL HW1 4668 2.854 1.809 0.261 -0.3483 0.2774 -0.0201 + 1537SOL HW2 4669 2.915 1.918 0.346 0.6043 0.0471 -0.3858 + 1538SOL OW 4670 0.356 0.109 3.790 0.3690 -0.3156 -0.1599 + 1538SOL HW1 4671 0.399 0.120 3.705 -0.6178 -0.9094 -0.7661 + 1538SOL HW2 4672 0.365 0.195 3.833 0.6344 0.0830 -0.9753 + 1539SOL OW 4673 1.047 2.277 0.587 0.1578 -0.1296 -0.1669 + 1539SOL HW1 4674 0.953 2.296 0.595 0.0741 -0.9230 1.6165 + 1539SOL HW2 4675 1.082 2.349 0.535 -1.0947 1.4115 0.9363 + 1540SOL OW 4676 0.958 2.380 1.284 0.0573 0.3539 0.2778 + 1540SOL HW1 4677 0.865 2.401 1.279 -0.0671 -0.0865 0.6426 + 1540SOL HW2 4678 0.995 2.446 1.342 -0.0162 0.5482 0.1080 + 1541SOL OW 4679 0.587 2.888 1.772 -0.1972 0.2191 -0.7338 + 1541SOL HW1 4680 0.609 2.947 1.844 -0.6339 -0.8877 0.3644 + 1541SOL HW2 4681 0.664 2.832 1.763 -0.3113 0.0803 -0.8504 + 1542SOL OW 4682 1.429 2.496 0.761 -0.0733 0.3273 0.4467 + 1542SOL HW1 4683 1.343 2.503 0.803 -0.3088 0.4901 -0.0410 + 1542SOL HW2 4684 1.470 2.421 0.803 -0.9005 -0.4496 -0.0551 + 1543SOL OW 4685 0.747 3.835 0.500 -0.4074 -0.0508 -0.2638 + 1543SOL HW1 4686 0.840 3.843 0.522 -0.4522 -0.5447 0.1636 + 1543SOL HW2 4687 0.702 3.876 0.574 -0.5353 -0.3422 -0.1763 + 1544SOL OW 4688 3.708 0.666 2.532 -0.4231 0.0504 -0.0861 + 1544SOL HW1 4689 3.655 0.587 2.518 -0.0542 -0.1454 -0.3935 + 1544SOL HW2 4690 3.650 0.738 2.508 -0.4547 -0.1797 -0.7224 + 1545SOL OW 4691 0.597 1.403 1.640 -0.0995 -0.4976 -0.3427 + 1545SOL HW1 4692 0.647 1.454 1.577 0.6905 -0.1636 0.5082 + 1545SOL HW2 4693 0.633 1.315 1.635 0.1327 -0.4119 -0.1859 + 1546SOL OW 4694 0.556 2.729 1.339 -0.5852 -0.4908 0.3089 + 1546SOL HW1 4695 0.550 2.658 1.403 0.4265 0.1618 1.2061 + 1546SOL HW2 4696 0.551 2.809 1.392 1.0801 0.0806 -0.2685 + 1547SOL OW 4697 0.314 3.688 3.816 -0.2529 0.1630 0.0132 + 1547SOL HW1 4698 0.235 3.651 3.856 0.1626 -0.5072 0.2472 + 1547SOL HW2 4699 0.346 3.751 3.880 -0.8746 0.8519 -0.3149 + 1548SOL OW 4700 3.170 2.227 2.636 -0.3180 -0.6741 0.7763 + 1548SOL HW1 4701 3.147 2.309 2.679 0.1493 -0.0765 -0.0382 + 1548SOL HW2 4702 3.095 2.208 2.579 0.5572 0.6725 -1.0336 + 1549SOL OW 4703 3.420 3.385 3.425 -0.1555 0.4125 -0.1469 + 1549SOL HW1 4704 3.376 3.390 3.340 -1.3705 -0.2208 0.3795 + 1549SOL HW2 4705 3.513 3.385 3.405 -0.3238 -2.0479 -1.7340 + 1550SOL OW 4706 3.064 2.714 3.312 -0.2142 0.3296 -0.2705 + 1550SOL HW1 4707 3.089 2.804 3.290 0.6098 0.1457 -0.1793 + 1550SOL HW2 4708 3.053 2.670 3.228 0.9185 0.1452 -0.3618 + 1551SOL OW 4709 2.530 2.099 1.872 -0.1309 -0.0608 -0.5309 + 1551SOL HW1 4710 2.550 2.191 1.892 -0.5281 0.1497 -1.0495 + 1551SOL HW2 4711 2.614 2.062 1.845 0.1062 0.0459 0.0392 + 1552SOL OW 4712 2.867 3.179 0.212 -0.0647 -0.2399 -0.7918 + 1552SOL HW1 4713 2.927 3.105 0.223 0.5685 0.1751 -1.3023 + 1552SOL HW2 4714 2.780 3.139 0.212 -0.0293 -0.6845 1.9289 + 1553SOL OW 4715 0.451 1.184 0.928 0.3572 0.4090 0.2706 + 1553SOL HW1 4716 0.495 1.262 0.894 0.8983 0.2015 0.4699 + 1553SOL HW2 4717 0.500 1.111 0.891 -0.3547 0.1501 -0.1856 + 1554SOL OW 4718 2.480 2.882 1.204 0.0642 -0.3547 0.4871 + 1554SOL HW1 4719 2.434 2.946 1.149 0.0598 -0.2410 0.6211 + 1554SOL HW2 4720 2.449 2.797 1.173 0.6346 -0.3285 -0.2049 + 1555SOL OW 4721 0.164 3.057 0.818 -0.0111 -0.2645 -0.1626 + 1555SOL HW1 4722 0.251 3.097 0.813 0.2911 -0.8933 -0.1395 + 1555SOL HW2 4723 0.130 3.061 0.729 -0.4531 0.9939 0.0154 + 1556SOL OW 4724 1.195 3.311 1.938 -0.1158 0.2612 -0.2711 + 1556SOL HW1 4725 1.224 3.353 1.856 0.7776 0.2475 0.0116 + 1556SOL HW2 4726 1.244 3.357 2.006 0.5460 -0.9069 0.0981 + 1557SOL OW 4727 1.093 3.896 1.356 -0.1118 0.3496 -0.2702 + 1557SOL HW1 4728 1.136 3.812 1.373 0.3595 0.6096 -0.1546 + 1557SOL HW2 4729 1.164 3.960 1.360 -0.6425 0.9158 0.8635 + 1558SOL OW 4730 2.784 0.161 2.198 0.5328 -0.3165 0.1757 + 1558SOL HW1 4731 2.822 0.209 2.124 0.0387 -0.4988 -0.2025 + 1558SOL HW2 4732 2.845 0.177 2.270 0.6881 0.3911 -0.0987 + 1559SOL OW 4733 3.800 -0.001 0.530 0.1291 -0.4809 0.6340 + 1559SOL HW1 4734 3.844 0.043 0.603 -0.1314 -0.6353 0.8856 + 1559SOL HW2 4735 3.872 -0.029 0.472 0.3743 -0.8431 1.1033 + 1560SOL OW 4736 0.160 0.490 3.944 0.1955 0.6998 -0.0685 + 1560SOL HW1 4737 0.121 0.489 3.857 -0.9868 -0.2941 0.4066 + 1560SOL HW2 4738 0.088 0.515 4.003 0.4722 -0.2821 0.7625 + 1561SOL OW 4739 3.213 1.573 1.801 -0.1754 0.2531 0.1717 + 1561SOL HW1 4740 3.288 1.620 1.764 -0.9663 1.5640 0.0791 + 1561SOL HW2 4741 3.246 1.535 1.882 0.6144 0.7267 0.0994 + 1562SOL OW 4742 1.941 1.661 3.365 -0.2175 -0.1943 0.3337 + 1562SOL HW1 4743 1.983 1.580 3.337 -0.2920 -0.0076 -0.3606 + 1562SOL HW2 4744 1.869 1.674 3.302 -0.6402 0.0522 0.8484 + 1563SOL OW 4745 1.467 1.923 1.934 0.5372 0.2786 0.5121 + 1563SOL HW1 4746 1.469 1.827 1.945 -0.1551 0.1046 -0.5984 + 1563SOL HW2 4747 1.553 1.944 1.897 0.2303 -0.1312 -0.5060 + 1564SOL OW 4748 0.317 2.705 3.773 0.4934 -0.6247 0.5048 + 1564SOL HW1 4749 0.272 2.633 3.818 0.3063 -0.7483 0.1273 + 1564SOL HW2 4750 0.349 2.667 3.692 0.3110 -0.2605 0.2569 + 1565SOL OW 4751 3.136 1.574 1.392 -0.3674 -0.3473 0.1802 + 1565SOL HW1 4752 3.056 1.557 1.342 -0.1043 -0.1813 -0.2996 + 1565SOL HW2 4753 3.134 1.509 1.462 -0.9086 -0.3645 0.1600 + 1566SOL OW 4754 1.704 0.474 2.932 0.4734 0.5965 -0.6439 + 1566SOL HW1 4755 1.745 0.559 2.948 0.3180 0.5259 0.2217 + 1566SOL HW2 4756 1.611 0.494 2.919 0.3908 0.5499 -0.1734 + 1567SOL OW 4757 2.523 3.437 1.534 0.5168 0.3309 -0.1808 + 1567SOL HW1 4758 2.461 3.477 1.473 -0.0752 0.0215 0.1987 + 1567SOL HW2 4759 2.609 3.469 1.505 0.1917 0.7367 -0.7456 + 1568SOL OW 4760 2.148 0.689 2.239 0.1039 0.9376 0.4406 + 1568SOL HW1 4761 2.084 0.655 2.302 -0.9275 0.1990 -0.8949 + 1568SOL HW2 4762 2.231 0.649 2.265 -0.5768 -0.5601 0.5026 + 1569SOL OW 4763 0.311 1.449 1.541 -0.2683 0.0942 0.1316 + 1569SOL HW1 4764 0.355 1.390 1.479 -0.1212 -0.3641 0.6592 + 1569SOL HW2 4765 0.383 1.490 1.589 -0.3809 -1.0398 1.3543 + 1570SOL OW 4766 3.372 0.208 2.614 0.0878 -0.3817 -0.1819 + 1570SOL HW1 4767 3.380 0.122 2.572 -0.4960 -0.4367 -0.1906 + 1570SOL HW2 4768 3.310 0.256 2.559 0.5759 0.1339 -0.3048 + 1571SOL OW 4769 0.637 1.912 1.128 -0.4356 -0.2838 0.4273 + 1571SOL HW1 4770 0.652 2.003 1.103 -0.6754 -0.5185 -0.7005 + 1571SOL HW2 4771 0.550 1.891 1.092 -0.2039 -1.0691 0.2804 + 1572SOL OW 4772 1.810 0.952 0.296 0.5950 -0.4428 -0.0720 + 1572SOL HW1 4773 1.853 0.969 0.212 0.4568 -1.2289 -0.3223 + 1572SOL HW2 4774 1.744 0.885 0.276 0.0393 -0.1002 0.5257 + 1573SOL OW 4775 2.863 1.952 1.550 1.0804 0.1145 -0.3099 + 1573SOL HW1 4776 2.811 1.895 1.494 1.8062 -0.5599 -0.3285 + 1573SOL HW2 4777 2.912 2.007 1.489 0.1153 1.0634 -0.2934 + 1574SOL OW 4778 3.824 2.628 2.369 -0.4417 -0.4991 -0.8760 + 1574SOL HW1 4779 3.842 2.699 2.307 -0.3760 -0.1266 -0.4435 + 1574SOL HW2 4780 3.740 2.651 2.409 -0.1027 -0.3017 -0.2514 + 1575SOL OW 4781 3.889 3.789 3.520 0.3388 -0.0157 0.7126 + 1575SOL HW1 4782 3.971 3.834 3.497 -0.0419 0.3782 0.0404 + 1575SOL HW2 4783 3.875 3.727 3.449 0.1988 -0.2885 0.9759 + 1576SOL OW 4784 0.193 2.219 3.279 0.0633 0.0425 0.2255 + 1576SOL HW1 4785 0.164 2.129 3.298 -0.8651 0.5141 1.2294 + 1576SOL HW2 4786 0.288 2.216 3.291 0.1132 -0.8792 -0.1699 + 1577SOL OW 4787 3.683 3.270 0.993 -0.5416 0.3517 -0.0967 + 1577SOL HW1 4788 3.698 3.301 0.904 0.8496 0.4098 0.1240 + 1577SOL HW2 4789 3.761 3.220 1.016 -0.9361 0.1847 1.0386 + 1578SOL OW 4790 1.837 0.741 2.936 -0.5866 -0.1673 -0.3677 + 1578SOL HW1 4791 1.821 0.779 2.850 1.2094 1.6755 -0.0224 + 1578SOL HW2 4792 1.932 0.727 2.939 -0.4767 0.4941 1.5065 + 1579SOL OW 4793 1.883 0.123 3.735 0.0081 0.0280 0.2531 + 1579SOL HW1 4794 1.926 0.187 3.678 0.6405 -0.3033 0.3362 + 1579SOL HW2 4795 1.888 0.041 3.685 -0.9331 0.0646 0.0774 + 1580SOL OW 4796 0.302 0.971 2.386 -1.1216 -0.2315 -0.2340 + 1580SOL HW1 4797 0.280 1.053 2.342 -1.7484 -0.9057 -1.2838 + 1580SOL HW2 4798 0.303 0.992 2.479 -0.1785 1.1867 -0.4971 + 1581SOL OW 4799 2.716 1.608 0.569 0.2561 -0.2081 -0.1275 + 1581SOL HW1 4800 2.702 1.696 0.605 -0.7603 -0.0582 -0.8183 + 1581SOL HW2 4801 2.658 1.552 0.620 -0.1217 -0.2330 -0.5717 + 1582SOL OW 4802 2.864 1.191 3.068 0.6888 0.3898 0.0589 + 1582SOL HW1 4803 2.867 1.115 3.126 0.4760 -0.5946 -1.1320 + 1582SOL HW2 4804 2.952 1.228 3.073 1.1470 -0.6115 -0.1374 + 1583SOL OW 4805 3.865 2.813 2.856 -0.4815 0.5555 -0.0680 + 1583SOL HW1 4806 3.801 2.752 2.890 -0.4960 0.7528 0.2690 + 1583SOL HW2 4807 3.934 2.816 2.923 0.1891 -0.1202 -0.6988 + 1584SOL OW 4808 2.157 1.832 1.992 0.0185 0.1757 0.1580 + 1584SOL HW1 4809 2.064 1.853 1.990 -0.0536 -0.1424 -0.7853 + 1584SOL HW2 4810 2.167 1.776 2.070 -0.7193 -0.3688 -0.1161 + 1585SOL OW 4811 0.593 0.389 3.024 -0.3605 -0.2459 -0.1439 + 1585SOL HW1 4812 0.613 0.308 3.071 -0.0936 -0.1566 -0.1036 + 1585SOL HW2 4813 0.526 0.363 2.960 0.0417 -0.5950 -0.4340 + 1586SOL OW 4814 0.495 1.857 0.410 -0.0888 -0.0153 0.1722 + 1586SOL HW1 4815 0.459 1.912 0.480 0.2106 -0.1392 0.4284 + 1586SOL HW2 4816 0.444 1.881 0.332 -0.3025 0.2571 0.3904 + 1587SOL OW 4817 2.249 1.951 0.774 -0.0304 -0.0741 0.6017 + 1587SOL HW1 4818 2.211 2.039 0.776 0.1257 -0.0109 0.9200 + 1587SOL HW2 4819 2.178 1.894 0.802 -0.0344 -0.0105 0.7235 + 1588SOL OW 4820 0.668 2.824 2.340 0.7931 -0.1378 -0.4233 + 1588SOL HW1 4821 0.656 2.774 2.259 -1.3106 -0.0482 -0.2981 + 1588SOL HW2 4822 0.628 2.909 2.321 0.1324 -0.1634 0.7038 + 1589SOL OW 4823 2.654 0.656 1.583 0.1448 -0.2674 0.1427 + 1589SOL HW1 4824 2.635 0.614 1.500 1.1829 -0.1887 -0.1742 + 1589SOL HW2 4825 2.592 0.729 1.588 0.4433 0.1047 -0.8870 + 1590SOL OW 4826 0.009 0.766 3.139 0.1274 -0.0613 -0.4658 + 1590SOL HW1 4827 0.076 0.817 3.183 0.6976 -0.0245 -1.3414 + 1590SOL HW2 4828 -0.057 0.750 3.206 1.0801 -0.2442 0.4696 + 1591SOL OW 4829 1.044 3.966 0.246 0.1796 -0.2150 0.2854 + 1591SOL HW1 4830 0.970 4.022 0.225 0.0500 -0.2563 0.6206 + 1591SOL HW2 4831 1.016 3.878 0.217 0.2779 -0.1573 0.0045 + 1592SOL OW 4832 0.874 1.481 1.192 0.0673 0.1121 -0.1198 + 1592SOL HW1 4833 0.858 1.555 1.133 0.5418 0.4736 0.1942 + 1592SOL HW2 4834 0.810 1.493 1.263 0.4264 0.4753 0.1520 + 1593SOL OW 4835 1.689 0.335 0.344 0.0171 0.2385 0.5557 + 1593SOL HW1 4836 1.763 0.276 0.352 -0.2950 -0.1783 0.4322 + 1593SOL HW2 4837 1.724 0.421 0.366 0.6243 0.1087 0.1270 + 1594SOL OW 4838 2.882 0.450 0.671 -0.4073 0.0371 0.0496 + 1594SOL HW1 4839 2.806 0.402 0.704 -0.3781 -0.1368 -0.1351 + 1594SOL HW2 4840 2.955 0.416 0.723 -0.4618 0.2434 0.2648 + 1595SOL OW 4841 3.677 2.328 3.596 0.3254 -0.5222 0.1076 + 1595SOL HW1 4842 3.591 2.287 3.603 -0.1892 0.4489 -0.2462 + 1595SOL HW2 4843 3.705 2.341 3.686 -0.5699 0.4777 0.2697 + 1596SOL OW 4844 0.547 3.494 2.647 -0.3334 0.1766 0.4463 + 1596SOL HW1 4845 0.460 3.532 2.658 -0.5731 -0.1516 -0.2179 + 1596SOL HW2 4846 0.542 3.446 2.565 0.2952 -0.3673 0.7076 + 1597SOL OW 4847 0.782 1.306 0.266 0.6255 0.0436 -0.1784 + 1597SOL HW1 4848 0.755 1.277 0.179 0.2178 -1.2259 0.3178 + 1597SOL HW2 4849 0.869 1.267 0.278 0.2132 -0.7455 0.3792 + 1598SOL OW 4850 0.821 1.366 1.881 -0.3051 0.0443 0.1104 + 1598SOL HW1 4851 0.807 1.277 1.850 -1.0972 0.2708 -0.2054 + 1598SOL HW2 4852 0.813 1.421 1.803 -0.9218 0.4860 0.4682 + 1599SOL OW 4853 0.330 2.356 2.021 -0.4076 0.0694 -0.2493 + 1599SOL HW1 4854 0.342 2.426 1.958 -0.7951 0.1824 -0.2047 + 1599SOL HW2 4855 0.237 2.359 2.044 -0.3488 -0.1971 0.0580 + 1600SOL OW 4856 3.657 0.460 3.739 -0.0237 0.0679 -0.3409 + 1600SOL HW1 4857 3.572 0.499 3.757 -0.4926 -0.5704 -1.0076 + 1600SOL HW2 4858 3.638 0.392 3.673 0.7571 -1.1326 0.5875 + 1601SOL OW 4859 3.448 3.651 1.841 -0.0869 -0.3820 0.6107 + 1601SOL HW1 4860 3.469 3.673 1.750 -2.0397 0.0535 0.1702 + 1601SOL HW2 4861 3.476 3.560 1.851 -1.4612 -1.1251 -1.1189 + 1602SOL OW 4862 2.046 1.227 3.612 -0.3471 -0.4135 0.1840 + 1602SOL HW1 4863 2.099 1.179 3.549 0.4726 -0.0716 0.5820 + 1602SOL HW2 4864 2.005 1.297 3.560 0.9541 0.3646 0.1170 + 1603SOL OW 4865 1.625 3.723 2.686 -0.7110 -0.4571 0.0381 + 1603SOL HW1 4866 1.577 3.795 2.646 0.1394 0.2159 0.1855 + 1603SOL HW2 4867 1.706 3.762 2.718 0.3494 -1.6652 -0.9250 + 1604SOL OW 4868 0.253 2.342 0.793 -0.2710 0.0373 -0.0277 + 1604SOL HW1 4869 0.162 2.316 0.781 -0.0929 -0.5718 -0.1133 + 1604SOL HW2 4870 0.293 2.269 0.840 0.1482 0.3465 0.1043 + 1605SOL OW 4871 0.616 1.179 2.201 0.7533 -0.1706 0.7001 + 1605SOL HW1 4872 0.602 1.189 2.295 0.2792 -0.4370 0.6678 + 1605SOL HW2 4873 0.589 1.089 2.182 0.6221 -0.0473 0.2725 + 1606SOL OW 4874 0.735 3.186 0.776 -0.1286 0.3591 0.1962 + 1606SOL HW1 4875 0.738 3.259 0.715 1.0953 0.3402 0.1817 + 1606SOL HW2 4876 0.756 3.225 0.861 0.2810 0.0893 0.2296 + 1607SOL OW 4877 3.680 3.236 3.972 -0.3204 0.1360 0.3545 + 1607SOL HW1 4878 3.588 3.227 3.997 -0.4728 1.0491 0.1724 + 1607SOL HW2 4879 3.680 3.223 3.877 -0.2980 0.3608 0.3228 + 1608SOL OW 4880 0.585 1.032 1.444 -0.5351 -0.0013 -0.0132 + 1608SOL HW1 4881 0.557 1.007 1.532 -0.1135 0.1870 0.1795 + 1608SOL HW2 4882 0.665 0.982 1.428 0.2951 1.1247 0.3620 + 1609SOL OW 4883 1.515 0.012 1.517 -0.1997 -0.1766 0.1150 + 1609SOL HW1 4884 1.572 -0.056 1.554 1.6391 0.4008 -1.3379 + 1609SOL HW2 4885 1.573 0.087 1.504 -1.3107 0.5036 -1.4469 + 1610SOL OW 4886 1.293 3.728 2.768 -0.0874 -0.1407 -0.3816 + 1610SOL HW1 4887 1.363 3.772 2.720 -0.2971 0.8694 0.1814 + 1610SOL HW2 4888 1.217 3.786 2.757 -0.1604 0.1207 1.0853 + 1611SOL OW 4889 2.507 1.488 0.713 0.3682 0.0720 0.4409 + 1611SOL HW1 4890 2.449 1.530 0.776 0.4240 0.0533 0.5050 + 1611SOL HW2 4891 2.449 1.456 0.644 0.3419 0.4303 0.2902 + 1612SOL OW 4892 2.234 2.070 1.075 0.3859 0.0164 -0.0744 + 1612SOL HW1 4893 2.243 2.164 1.060 -0.9611 0.3140 0.6234 + 1612SOL HW2 4894 2.162 2.063 1.138 0.3562 -1.4973 -0.2043 + 1613SOL OW 4895 2.466 2.445 2.374 -0.8700 0.2204 -0.5400 + 1613SOL HW1 4896 2.558 2.472 2.371 -0.6807 0.2675 1.7142 + 1613SOL HW2 4897 2.455 2.387 2.299 1.2616 -0.4781 -0.4518 + 1614SOL OW 4898 1.999 2.691 1.847 0.2331 -0.1904 -0.0800 + 1614SOL HW1 4899 1.950 2.644 1.780 0.6871 0.0567 -0.5952 + 1614SOL HW2 4900 2.027 2.772 1.804 -1.6068 1.2579 1.0968 + 1615SOL OW 4901 3.203 3.855 3.591 0.4226 0.2094 0.4524 + 1615SOL HW1 4902 3.169 3.943 3.575 -0.4342 -0.0114 0.9139 + 1615SOL HW2 4903 3.278 3.846 3.532 -0.2145 0.8071 -0.4942 + 1616SOL OW 4904 3.181 3.170 3.975 -0.3200 -0.1110 -0.2402 + 1616SOL HW1 4905 3.094 3.142 4.003 -0.4440 -0.0325 -0.5419 + 1616SOL HW2 4906 3.202 3.113 3.902 -0.3150 0.1760 -0.4654 + 1617SOL OW 4907 3.300 1.829 3.521 0.2745 0.0064 -0.3264 + 1617SOL HW1 4908 3.282 1.913 3.480 0.4429 -0.0348 -0.4900 + 1617SOL HW2 4909 3.286 1.765 3.450 -1.4889 -0.2754 0.1868 + 1618SOL OW 4910 0.317 3.883 1.912 -0.0180 0.1386 -0.8342 + 1618SOL HW1 4911 0.352 3.794 1.903 -0.2668 -0.0021 -0.4729 + 1618SOL HW2 4912 0.223 3.874 1.897 -0.0464 0.3399 -0.7892 + 1619SOL OW 4913 3.119 1.561 1.038 -0.1362 -0.4544 -0.0492 + 1619SOL HW1 4914 3.055 1.545 1.107 -0.0003 0.2891 0.2630 + 1619SOL HW2 4915 3.200 1.582 1.084 -0.0065 -0.0820 -0.4371 + 1620SOL OW 4916 2.017 1.552 2.816 -0.2185 -0.8570 0.2708 + 1620SOL HW1 4917 2.081 1.623 2.819 -0.3824 -0.7164 0.5572 + 1620SOL HW2 4918 2.067 1.474 2.793 0.1911 -0.9009 1.2508 + 1621SOL OW 4919 0.428 1.623 2.276 -0.4668 -0.2545 0.2351 + 1621SOL HW1 4920 0.456 1.568 2.350 -0.5134 -1.0365 -0.2994 + 1621SOL HW2 4921 0.464 1.709 2.296 -0.6135 -0.3922 1.2437 + 1622SOL OW 4922 1.826 1.813 1.896 -0.5498 -0.3415 -0.5328 + 1622SOL HW1 4923 1.894 1.782 1.836 0.1160 -0.5488 0.2943 + 1622SOL HW2 4924 1.782 1.883 1.848 0.9291 0.5389 -0.7495 + 1623SOL OW 4925 0.129 1.131 3.422 -0.6306 -0.0841 -0.3058 + 1623SOL HW1 4926 0.046 1.084 3.418 -0.5259 -0.2317 -1.0281 + 1623SOL HW2 4927 0.152 1.147 3.330 1.0287 -1.6346 -0.2709 + 1624SOL OW 4928 1.232 2.499 0.952 0.4023 0.0950 -0.1436 + 1624SOL HW1 4929 1.180 2.427 0.987 0.0938 0.5736 0.4134 + 1624SOL HW2 4930 1.290 2.524 1.024 0.3366 0.5584 -0.2466 + 1625SOL OW 4931 3.698 0.600 0.376 0.0110 0.4519 0.8551 + 1625SOL HW1 4932 3.617 0.612 0.425 -0.2170 0.4409 0.4853 + 1625SOL HW2 4933 3.736 0.519 0.412 -0.8551 -0.3407 0.0877 + 1626SOL OW 4934 2.446 3.588 1.725 -0.2065 0.0974 0.1678 + 1626SOL HW1 4935 2.485 3.519 1.673 -0.5491 -0.2336 0.3398 + 1626SOL HW2 4936 2.520 3.634 1.764 0.1121 0.8660 -1.2066 + 1627SOL OW 4937 2.130 2.841 0.040 -0.2828 0.1926 -0.0604 + 1627SOL HW1 4938 2.066 2.908 0.067 -0.0978 0.5460 -0.4765 + 1627SOL HW2 4939 2.138 2.784 0.116 -0.0794 0.9278 0.4962 + 1628SOL OW 4940 1.103 2.498 3.733 0.3698 -0.1637 -0.1027 + 1628SOL HW1 4941 1.168 2.437 3.770 -0.3339 -0.2722 1.0569 + 1628SOL HW2 4942 1.030 2.442 3.708 0.4146 0.0387 -0.7215 + 1629SOL OW 4943 0.828 3.420 1.752 -0.0426 -0.3350 -0.1622 + 1629SOL HW1 4944 0.751 3.468 1.721 0.6341 -0.0620 -1.5882 + 1629SOL HW2 4945 0.873 3.392 1.672 0.4586 -1.9787 0.6191 + 1630SOL OW 4946 1.526 0.406 1.267 0.1787 0.6640 -0.0437 + 1630SOL HW1 4947 1.467 0.481 1.279 -0.4902 0.2829 -0.7788 + 1630SOL HW2 4948 1.521 0.386 1.174 0.0205 -0.5403 0.1953 + 1631SOL OW 4949 3.918 0.156 2.514 0.2508 -0.1735 -0.1775 + 1631SOL HW1 4950 3.928 0.247 2.541 0.4968 0.0182 -0.8760 + 1631SOL HW2 4951 3.839 0.126 2.559 0.5540 0.1597 0.6204 + 1632SOL OW 4952 3.303 -0.019 2.915 -0.3040 -0.2360 -0.2272 + 1632SOL HW1 4953 3.250 0.036 2.857 -0.5603 0.1520 0.3610 + 1632SOL HW2 4954 3.360 0.042 2.961 0.2801 -0.5952 -0.4497 + 1633SOL OW 4955 0.052 0.775 1.435 -0.2288 0.0661 -0.1375 + 1633SOL HW1 4956 0.083 0.688 1.413 1.3998 0.4156 0.4527 + 1633SOL HW2 4957 -0.005 0.763 1.510 -0.0162 -0.5046 -0.0622 + 1634SOL OW 4958 3.814 3.797 2.036 0.0615 0.1189 -0.2174 + 1634SOL HW1 4959 3.734 3.849 2.022 -0.2449 -0.3901 -0.3923 + 1634SOL HW2 4960 3.838 3.815 2.127 -0.1401 0.4314 -0.2219 + 1635SOL OW 4961 3.395 2.945 3.749 -0.4899 -0.5575 -0.0631 + 1635SOL HW1 4962 3.300 2.945 3.759 -0.5522 -0.0271 -0.6176 + 1635SOL HW2 4963 3.416 3.031 3.714 0.4804 0.4584 2.4880 + 1636SOL OW 4964 0.788 2.295 2.267 0.1035 -0.5116 0.3749 + 1636SOL HW1 4965 0.728 2.275 2.195 1.1794 -0.7657 -0.5000 + 1636SOL HW2 4966 0.798 2.212 2.314 -0.2051 -0.4731 0.5102 + 1637SOL OW 4967 3.087 2.060 0.644 -0.3606 -0.1245 -0.3436 + 1637SOL HW1 4968 3.113 2.153 0.641 0.1534 -0.2554 -0.1807 + 1637SOL HW2 4969 3.057 2.046 0.733 -0.4696 -0.1062 -0.3776 + 1638SOL OW 4970 1.201 2.029 1.882 -0.3742 0.2266 -0.0256 + 1638SOL HW1 4971 1.177 1.996 1.795 -2.2539 -0.0387 0.5076 + 1638SOL HW2 4972 1.257 1.960 1.919 0.6663 0.4488 -1.0409 + 1639SOL OW 4973 0.060 0.544 2.075 -0.0184 -0.1443 -0.1375 + 1639SOL HW1 4974 0.138 0.490 2.064 -0.0092 -0.2489 0.3533 + 1639SOL HW2 4975 0.086 0.631 2.047 0.1734 -0.2527 -0.2951 + 1640SOL OW 4976 2.562 2.665 2.641 0.2712 0.1491 -0.3240 + 1640SOL HW1 4977 2.558 2.699 2.551 -0.3218 0.4368 -0.2025 + 1640SOL HW2 4978 2.641 2.705 2.678 0.7554 -0.3108 -0.8413 + 1641SOL OW 4979 1.320 1.217 2.246 0.0091 -0.3451 -0.1436 + 1641SOL HW1 4980 1.368 1.134 2.241 -0.6975 -0.7439 -0.7816 + 1641SOL HW2 4981 1.227 1.191 2.244 -0.2303 0.4459 -0.0398 + 1642SOL OW 4982 3.408 3.852 1.070 0.3605 0.4047 -0.0112 + 1642SOL HW1 4983 3.407 3.770 1.021 0.1784 -0.0412 0.7098 + 1642SOL HW2 4984 3.329 3.850 1.123 0.9815 0.4383 0.9741 + 1643SOL OW 4985 3.478 0.345 0.636 -0.3615 -0.3305 0.1730 + 1643SOL HW1 4986 3.500 0.296 0.556 -0.1574 -0.0012 0.0224 + 1643SOL HW2 4987 3.537 0.309 0.703 -0.1323 -0.2164 0.0354 + 1644SOL OW 4988 2.798 1.860 2.034 -0.4295 0.1118 -0.3955 + 1644SOL HW1 4989 2.794 1.930 1.969 1.4211 1.0030 0.3186 + 1644SOL HW2 4990 2.801 1.905 2.118 1.1283 -0.7435 0.0764 + 1645SOL OW 4991 3.665 2.675 2.968 0.0662 0.0202 -0.4372 + 1645SOL HW1 4992 3.632 2.657 3.056 -1.2216 0.3279 -0.8111 + 1645SOL HW2 4993 3.683 2.588 2.931 -0.4143 -0.1762 -0.2276 + 1646SOL OW 4994 1.191 0.826 1.279 0.5052 -0.0495 -0.2599 + 1646SOL HW1 4995 1.168 0.886 1.350 -0.2106 -0.0387 -0.4832 + 1646SOL HW2 4996 1.107 0.799 1.242 0.8487 0.1109 -1.2399 + 1647SOL OW 4997 2.980 1.671 3.487 0.1734 0.2879 0.1545 + 1647SOL HW1 4998 2.891 1.692 3.459 0.1524 -0.0169 -0.0117 + 1647SOL HW2 4999 2.974 1.582 3.521 0.5725 -0.0532 -0.6276 + 1648SOL OW 5000 1.853 1.731 3.864 -0.0467 0.1869 0.0333 + 1648SOL HW1 5001 1.833 1.645 3.827 -0.7647 0.0150 0.7444 + 1648SOL HW2 5002 1.834 1.793 3.794 0.5084 -0.2224 -0.4984 + 1649SOL OW 5003 3.990 2.958 3.752 0.2965 0.3216 0.1058 + 1649SOL HW1 5004 4.003 2.874 3.708 1.2640 0.1335 0.6891 + 1649SOL HW2 5005 3.922 2.940 3.817 0.4510 -0.0034 0.1863 + 1650SOL OW 5006 2.887 1.465 0.176 0.5558 -0.2076 1.0015 + 1650SOL HW1 5007 2.975 1.482 0.208 0.1386 -0.1788 2.2465 + 1650SOL HW2 5008 2.833 1.532 0.219 -0.1218 -0.4391 0.5396 + 1651SOL OW 5009 2.029 3.272 1.041 0.1129 0.1596 0.7436 + 1651SOL HW1 5010 1.943 3.261 1.000 0.4837 -0.2313 0.0287 + 1651SOL HW2 5011 2.052 3.185 1.073 0.7611 -0.0276 -0.1738 + 1652SOL OW 5012 0.394 1.534 3.908 0.0732 0.4515 0.0045 + 1652SOL HW1 5013 0.411 1.608 3.967 -0.6038 0.6127 0.0214 + 1652SOL HW2 5014 0.341 1.572 3.838 -0.1188 0.0192 -0.0880 + 1653SOL OW 5015 1.101 0.492 2.183 0.0770 -0.0786 0.2995 + 1653SOL HW1 5016 1.080 0.577 2.143 0.3899 -0.4595 -0.7431 + 1653SOL HW2 5017 1.080 0.428 2.115 -0.6116 -0.9043 1.2290 + 1654SOL OW 5018 1.262 3.377 1.689 -0.6127 0.2859 -0.6139 + 1654SOL HW1 5019 1.343 3.396 1.641 -0.0853 -0.3384 -0.0178 + 1654SOL HW2 5020 1.219 3.462 1.698 0.7693 0.9636 0.4440 + 1655SOL OW 5021 0.784 0.311 1.640 0.0506 0.2735 0.4489 + 1655SOL HW1 5022 0.859 0.262 1.608 -0.2857 0.0027 0.0618 + 1655SOL HW2 5023 0.810 0.403 1.630 0.4717 0.1830 0.6721 + 1656SOL OW 5024 1.231 3.468 3.761 0.0173 -0.4421 0.5163 + 1656SOL HW1 5025 1.287 3.515 3.823 -0.3665 -0.7138 1.0855 + 1656SOL HW2 5026 1.188 3.537 3.710 0.2403 -0.2103 0.6372 + 1657SOL OW 5027 2.351 3.878 1.025 0.5965 -0.1404 -0.1935 + 1657SOL HW1 5028 2.293 3.906 0.955 -0.6061 -2.0925 -0.1267 + 1657SOL HW2 5029 2.426 3.838 0.980 0.3359 -0.4323 -0.3828 + 1658SOL OW 5030 1.015 2.628 3.506 0.5959 -0.3331 0.3517 + 1658SOL HW1 5031 0.982 2.550 3.462 0.0601 -0.0179 0.1699 + 1658SOL HW2 5032 1.057 2.595 3.585 -0.0158 -0.7785 0.5086 + 1659SOL OW 5033 1.516 1.016 0.576 -0.1811 -0.0832 -0.5028 + 1659SOL HW1 5034 1.464 0.950 0.530 -0.6262 0.3139 -0.5849 + 1659SOL HW2 5035 1.462 1.040 0.652 0.3743 -0.4534 0.0286 + 1660SOL OW 5036 1.224 2.437 0.420 -1.0781 0.6455 -0.3015 + 1660SOL HW1 5037 1.237 2.513 0.477 -0.0296 0.0030 0.3588 + 1660SOL HW2 5038 1.290 2.447 0.351 -1.2963 0.5909 -0.5244 + 1661SOL OW 5039 0.821 3.824 3.470 0.2050 -0.3392 -0.2460 + 1661SOL HW1 5040 0.904 3.866 3.496 0.3510 -0.6932 -0.1315 + 1661SOL HW2 5041 0.770 3.821 3.551 -0.3021 0.7084 -0.4933 + 1662SOL OW 5042 1.912 3.539 3.739 0.1043 0.0522 -0.5237 + 1662SOL HW1 5043 1.889 3.448 3.719 -1.2512 -0.0656 1.0970 + 1662SOL HW2 5044 1.853 3.591 3.686 -0.8664 -0.1438 0.2974 + 1663SOL OW 5045 0.983 1.204 3.686 -0.2300 -0.0349 -0.4308 + 1663SOL HW1 5046 0.901 1.162 3.712 -0.3388 0.3692 -0.0937 + 1663SOL HW2 5047 1.041 1.190 3.761 -0.2425 0.3357 -0.3487 + 1664SOL OW 5048 0.541 0.399 2.162 0.2328 -0.4474 -0.0655 + 1664SOL HW1 5049 0.628 0.383 2.199 0.6674 -0.4383 -1.0191 + 1664SOL HW2 5050 0.515 0.315 2.124 0.1432 -0.2685 -0.4062 + 1665SOL OW 5051 0.660 3.512 3.241 -0.0250 0.4717 -0.6329 + 1665SOL HW1 5052 0.571 3.476 3.242 -0.3035 1.1148 0.0195 + 1665SOL HW2 5053 0.687 3.506 3.150 -0.4385 -0.4272 -0.7225 + 1666SOL OW 5054 0.615 2.191 2.734 -0.3036 0.2561 -0.1396 + 1666SOL HW1 5055 0.565 2.112 2.755 -1.0271 0.5677 -0.5674 + 1666SOL HW2 5056 0.675 2.203 2.807 -0.6588 -0.3116 0.2569 + 1667SOL OW 5057 1.980 1.181 3.096 -0.2416 0.6658 0.0283 + 1667SOL HW1 5058 1.948 1.203 3.008 -2.0629 0.5318 0.5611 + 1667SOL HW2 5059 1.900 1.158 3.144 0.6911 0.6934 1.7123 + 1668SOL OW 5060 3.110 2.851 2.041 0.0521 0.1037 -0.2354 + 1668SOL HW1 5061 3.149 2.896 1.966 0.1133 -0.4544 -0.5461 + 1668SOL HW2 5062 3.031 2.809 2.006 -0.0597 0.0524 0.0724 + 1669SOL OW 5063 0.888 1.853 3.652 0.3929 0.6219 0.4244 + 1669SOL HW1 5064 0.912 1.946 3.646 1.1578 0.4299 0.2794 + 1669SOL HW2 5065 0.971 1.806 3.641 -0.1743 -0.1518 -1.1586 + 1670SOL OW 5066 3.332 0.975 1.277 -0.1138 -0.4721 0.2767 + 1670SOL HW1 5067 3.379 1.045 1.322 0.6333 -0.8297 0.0928 + 1670SOL HW2 5068 3.324 1.006 1.186 0.4412 -0.7163 0.1365 + 1671SOL OW 5069 2.672 0.516 3.561 0.2687 -0.1917 0.1499 + 1671SOL HW1 5070 2.660 0.442 3.502 0.6103 -0.4256 0.3703 + 1671SOL HW2 5071 2.704 0.587 3.504 0.9840 -0.5318 0.1107 + 1672SOL OW 5072 0.040 0.551 2.943 -0.0346 0.4948 -0.0181 + 1672SOL HW1 5073 0.069 0.473 2.990 0.2117 0.2607 -0.5374 + 1672SOL HW2 5074 0.036 0.620 3.009 0.8361 0.3127 0.2423 + 1673SOL OW 5075 3.621 1.107 2.740 -0.4427 -0.0548 -0.3014 + 1673SOL HW1 5076 3.653 1.162 2.668 0.3249 1.3173 0.9734 + 1673SOL HW2 5077 3.526 1.106 2.730 -0.4681 1.3452 -0.5431 + 1674SOL OW 5078 3.144 1.961 1.329 -0.3222 0.0614 -0.5139 + 1674SOL HW1 5079 3.175 1.891 1.385 0.9343 0.0668 -1.1114 + 1674SOL HW2 5080 3.114 2.029 1.389 -0.5436 -0.5481 0.0882 + 1675SOL OW 5081 0.387 1.965 3.388 0.3272 -0.4938 -0.0035 + 1675SOL HW1 5082 0.394 2.051 3.347 0.0460 -0.3560 0.2271 + 1675SOL HW2 5083 0.473 1.949 3.427 0.3033 -0.1989 0.1751 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1749SOL OW 5303 2.694 0.453 1.749 0.2086 0.6214 -0.3155 + 1749SOL HW1 5304 2.676 0.542 1.720 0.4390 0.7855 0.0410 + 1749SOL HW2 5305 2.710 0.404 1.668 -0.6562 0.7270 -0.5646 + 1750SOL OW 5306 3.284 0.061 1.575 0.4685 0.2088 0.0011 + 1750SOL HW1 5307 3.275 -0.011 1.638 -0.8826 0.5138 0.2155 + 1750SOL HW2 5308 3.202 0.059 1.525 0.4918 1.4528 -0.1356 + 1751SOL OW 5309 0.035 2.571 3.071 0.4560 0.2505 0.1817 + 1751SOL HW1 5310 0.119 2.588 3.114 0.5956 -1.0890 0.5143 + 1751SOL HW2 5311 0.055 2.507 3.003 -0.4608 -1.2048 1.1822 + 1752SOL OW 5312 0.773 0.935 3.973 0.8755 -0.1425 0.1604 + 1752SOL HW1 5313 0.777 1.018 3.925 2.0602 0.3846 1.0572 + 1752SOL HW2 5314 0.775 0.868 3.906 -0.1223 0.5235 -0.6040 + 1753SOL OW 5315 2.388 0.227 0.169 -1.0191 0.1214 0.5557 + 1753SOL HW1 5316 2.428 0.147 0.202 -0.5094 0.4916 0.8705 + 1753SOL HW2 5317 2.440 0.298 0.208 -0.6270 0.5967 -0.7139 + 1754SOL OW 5318 2.798 2.010 1.810 -0.4419 0.1203 0.4070 + 1754SOL HW1 5319 2.815 1.974 1.722 0.2868 0.4353 0.4085 + 1754SOL HW2 5320 2.849 2.091 1.813 -0.0024 -0.1691 1.3170 + 1755SOL OW 5321 2.192 0.093 3.222 0.2829 0.2889 0.4330 + 1755SOL HW1 5322 2.165 0.004 3.198 0.2286 0.4563 -0.1655 + 1755SOL HW2 5323 2.111 0.137 3.247 0.1604 0.4475 -0.2177 + 1756SOL OW 5324 3.181 1.704 2.627 -0.0275 -0.4904 -0.2612 + 1756SOL HW1 5325 3.189 1.761 2.550 0.3132 -1.2108 -0.7822 + 1756SOL HW2 5326 3.137 1.626 2.595 -0.1977 -0.6651 0.3680 + 1757SOL OW 5327 0.937 0.751 1.214 -0.1429 0.1416 0.0615 + 1757SOL HW1 5328 0.900 0.673 1.172 -0.5644 0.3152 0.0958 + 1757SOL HW2 5329 0.880 0.822 1.185 -0.4909 0.2614 0.9770 + 1758SOL OW 5330 1.964 1.909 1.007 0.0612 0.2028 0.0567 + 1758SOL HW1 5331 1.953 1.862 0.924 -0.7920 0.5310 -0.0411 + 1758SOL HW2 5332 1.954 2.001 0.983 -0.4362 0.2860 0.5518 + 1759SOL OW 5333 2.571 2.616 1.988 0.0217 -0.1255 -0.3800 + 1759SOL HW1 5334 2.479 2.640 1.990 0.1435 0.3360 -0.1287 + 1759SOL HW2 5335 2.617 2.693 2.020 0.5458 -0.1251 -1.0852 + 1760SOL OW 5336 3.970 2.093 3.076 0.8919 -0.0485 -0.1380 + 1760SOL HW1 5337 3.952 2.052 2.991 0.2793 -0.7150 0.2939 + 1760SOL HW2 5338 4.000 2.181 3.054 0.6617 -0.1764 -1.0440 + 1761SOL OW 5339 3.088 3.334 2.384 -0.3277 0.1472 0.0647 + 1761SOL HW1 5340 2.994 3.335 2.403 -0.2966 0.4503 0.2117 + 1761SOL HW2 5341 3.093 3.339 2.289 -0.4593 0.4742 0.0707 + 1762SOL OW 5342 0.842 3.905 3.180 0.4264 -0.0917 -0.1181 + 1762SOL HW1 5343 0.836 3.892 3.275 -1.9159 0.3382 -0.0837 + 1762SOL HW2 5344 0.882 3.824 3.148 -0.4874 -1.1476 1.1292 + 1763SOL OW 5345 2.305 0.381 1.956 -0.3561 0.4182 -0.6057 + 1763SOL HW1 5346 2.387 0.335 1.973 -0.3787 0.4663 -0.3495 + 1763SOL HW2 5347 2.322 0.434 1.878 -0.3817 -0.1438 -1.0015 + 1764SOL OW 5348 3.245 0.882 2.559 -0.2739 -0.0978 -0.2998 + 1764SOL HW1 5349 3.262 0.970 2.524 0.2983 -0.0927 -0.0309 + 1764SOL HW2 5350 3.150 0.872 2.554 -0.3606 0.5991 -0.1816 + 1765SOL OW 5351 3.971 0.252 2.081 0.2138 -0.5305 0.7936 + 1765SOL HW1 5352 3.890 0.300 2.095 0.1321 0.0642 -1.1653 + 1765SOL HW2 5353 4.040 0.315 2.105 0.1081 -0.6419 1.4047 + 1766SOL OW 5354 3.119 1.852 1.980 -0.2356 0.0470 -0.1897 + 1766SOL HW1 5355 3.131 1.904 1.900 -0.0440 -0.3464 -0.4177 + 1766SOL HW2 5356 3.105 1.918 2.049 -0.1623 0.3956 -0.5023 + 1767SOL OW 5357 2.796 2.224 0.885 -0.2531 0.3404 -0.1411 + 1767SOL HW1 5358 2.717 2.255 0.842 0.1263 0.7592 -0.5612 + 1767SOL HW2 5359 2.858 2.297 0.877 0.5111 -0.3342 -0.7226 + 1768SOL OW 5360 3.536 1.450 0.479 1.1424 -0.0935 0.0374 + 1768SOL HW1 5361 3.620 1.430 0.521 1.0089 0.4575 0.5861 + 1768SOL HW2 5362 3.487 1.498 0.545 0.3601 -0.4594 -0.2500 + 1769SOL OW 5363 2.522 2.085 3.929 -0.0409 0.6008 -0.4384 + 1769SOL HW1 5364 2.592 2.082 3.995 0.1546 1.5065 -0.5778 + 1769SOL HW2 5365 2.442 2.097 3.979 0.1148 1.3552 -0.3553 + 1770SOL OW 5366 3.695 1.602 3.750 0.1709 0.3798 -0.3092 + 1770SOL HW1 5367 3.731 1.534 3.693 -0.1487 -0.1116 0.0588 + 1770SOL HW2 5368 3.643 1.657 3.693 0.5174 0.3800 -0.6311 + 1771SOL OW 5369 3.303 1.750 2.146 0.2280 1.0992 -0.1419 + 1771SOL HW1 5370 3.239 1.763 2.075 0.2866 0.5599 -0.3043 + 1771SOL HW2 5371 3.367 1.689 2.110 -0.0363 0.3788 0.5487 + 1772SOL OW 5372 1.716 2.970 2.463 -0.0299 0.1119 0.2053 + 1772SOL HW1 5373 1.675 2.951 2.379 -0.0900 -0.1828 0.2984 + 1772SOL HW2 5374 1.679 3.054 2.489 0.8990 0.8250 -0.6255 + 1773SOL OW 5375 1.370 1.182 0.364 -0.5187 -0.7235 0.1765 + 1773SOL HW1 5376 1.284 1.216 0.387 -0.5541 -0.6814 -0.0154 + 1773SOL HW2 5377 1.429 1.215 0.431 -0.6041 -0.5229 0.1513 + 1774SOL OW 5378 1.871 1.554 3.044 0.0958 0.4291 -0.1297 + 1774SOL HW1 5379 1.905 1.546 2.955 1.0202 1.2335 0.1113 + 1774SOL HW2 5380 1.892 1.471 3.085 0.0355 0.2053 -0.5425 + 1775SOL OW 5381 3.358 2.740 3.939 0.3167 0.2061 -0.2188 + 1775SOL HW1 5382 3.369 2.804 3.868 0.3131 -0.3749 -0.7602 + 1775SOL HW2 5383 3.356 2.656 3.894 -1.3739 -0.0894 0.3048 + 1776SOL OW 5384 0.685 0.662 0.378 -0.3548 -0.1945 0.3582 + 1776SOL HW1 5385 0.758 0.615 0.337 0.3953 1.1621 0.0076 + 1776SOL HW2 5386 0.613 0.599 0.376 0.2367 -0.9422 -1.1324 + 1777SOL OW 5387 3.846 2.999 1.531 -0.3759 -0.0471 0.2614 + 1777SOL HW1 5388 3.826 3.091 1.515 -0.1597 0.3071 1.7634 + 1777SOL HW2 5389 3.807 2.980 1.616 -0.9205 -1.5326 -0.2666 + 1778SOL OW 5390 0.380 3.382 3.703 -0.4143 -0.0904 -0.4397 + 1778SOL HW1 5391 0.286 3.370 3.719 -0.3831 -0.7665 -0.7049 + 1778SOL HW2 5392 0.414 3.293 3.696 0.1232 0.1584 -1.0799 + 1779SOL OW 5393 1.017 2.053 2.063 0.3667 0.0780 0.1429 + 1779SOL HW1 5394 1.059 2.109 2.128 0.1280 0.7099 -0.2306 + 1779SOL HW2 5395 1.081 2.047 1.992 0.1586 0.3747 -0.0747 + 1780SOL OW 5396 2.412 0.249 3.251 -0.0407 -0.1075 -0.0322 + 1780SOL HW1 5397 2.372 0.325 3.294 -0.7271 0.2099 -1.1390 + 1780SOL HW2 5398 2.337 0.196 3.223 0.4002 -0.6669 -0.1906 + 1781SOL OW 5399 3.115 1.373 2.835 0.5501 -0.5670 -0.5428 + 1781SOL HW1 5400 3.033 1.410 2.868 0.0631 -1.4128 -0.7383 + 1781SOL HW2 5401 3.179 1.444 2.845 -0.1757 0.0866 -0.2988 + 1782SOL OW 5402 1.677 1.216 3.763 -0.2927 0.2459 -0.2502 + 1782SOL HW1 5403 1.755 1.253 3.721 -0.3584 0.3778 -0.2545 + 1782SOL HW2 5404 1.632 1.170 3.692 0.5453 -1.1279 0.0246 + 1783SOL OW 5405 3.689 1.676 0.381 -0.1701 -0.4032 -0.0183 + 1783SOL HW1 5406 3.683 1.658 0.287 -2.0571 -0.6484 0.0706 + 1783SOL HW2 5407 3.634 1.609 0.421 -0.4169 0.4462 1.1411 + 1784SOL OW 5408 2.508 3.528 3.279 0.7646 -0.0377 0.7947 + 1784SOL HW1 5409 2.497 3.623 3.289 -0.6704 -0.0497 -0.1054 + 1784SOL HW2 5410 2.510 3.515 3.184 -0.1539 -0.9825 0.8778 + 1785SOL OW 5411 0.742 0.591 2.744 0.0031 0.3899 -0.7619 + 1785SOL HW1 5412 0.806 0.622 2.809 -0.5798 0.3293 -0.1319 + 1785SOL HW2 5413 0.689 0.668 2.725 -0.6784 0.0968 -0.1218 + 1786SOL OW 5414 3.132 2.558 1.881 -0.2008 0.2618 -0.2811 + 1786SOL HW1 5415 3.055 2.589 1.928 0.0106 -0.1673 0.3870 + 1786SOL HW2 5416 3.099 2.488 1.824 -0.4133 0.5707 -0.5382 + 1787SOL OW 5417 2.022 2.162 1.975 0.1119 0.0092 -0.0822 + 1787SOL HW1 5418 1.956 2.215 1.931 -0.0846 -0.0748 0.1097 + 1787SOL HW2 5419 2.077 2.129 1.904 0.1385 0.3307 -0.2177 + 1788SOL OW 5420 3.062 2.051 2.162 -0.0885 -0.1876 -0.7983 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-0.2448 0.7768 + 1794SOL OW 5438 0.178 1.486 1.235 -0.3899 0.0174 0.1885 + 1794SOL HW1 5439 0.221 1.402 1.215 -0.4968 0.0980 -0.4194 + 1794SOL HW2 5440 0.249 1.550 1.234 -0.4803 0.1230 -0.6390 + 1795SOL OW 5441 2.133 2.909 3.574 -0.0236 0.1395 -0.3393 + 1795SOL HW1 5442 2.187 2.865 3.640 0.1421 -0.6142 -0.9609 + 1795SOL HW2 5443 2.194 2.966 3.527 -0.0971 0.4987 -0.0147 + 1796SOL OW 5444 3.500 0.222 0.398 -0.0207 0.1666 0.1351 + 1796SOL HW1 5445 3.485 0.128 0.393 -0.2439 0.1884 0.3327 + 1796SOL HW2 5446 3.466 0.256 0.315 0.0359 0.0762 0.0749 + 1797SOL OW 5447 1.819 0.824 2.681 0.0706 0.3112 -0.1688 + 1797SOL HW1 5448 1.774 0.766 2.619 0.0955 0.3167 -0.1917 + 1797SOL HW2 5449 1.863 0.888 2.626 -1.0090 1.1500 -0.1337 + 1798SOL OW 5450 1.789 0.636 3.305 -0.6724 0.2047 0.2875 + 1798SOL HW1 5451 1.725 0.573 3.272 -0.2588 -0.1423 0.1251 + 1798SOL HW2 5452 1.874 0.592 3.294 -0.4016 0.6685 0.4582 + 1799SOL OW 5453 0.789 3.003 1.146 0.3211 -0.3787 0.3389 + 1799SOL HW1 5454 0.822 2.915 1.163 -0.1644 -0.5301 0.5444 + 1799SOL HW2 5455 0.770 3.038 1.233 0.6692 -0.0006 0.2696 + 1800SOL OW 5456 1.954 2.373 3.366 -0.0247 0.0080 0.1599 + 1800SOL HW1 5457 1.862 2.384 3.392 0.0446 0.0517 0.3968 + 1800SOL HW2 5458 1.961 2.419 3.282 -0.1354 0.3222 0.3163 + 1801SOL OW 5459 3.959 2.742 1.438 0.8171 0.2186 -0.4557 + 1801SOL HW1 5460 3.912 2.817 1.473 1.0067 -0.0115 0.3115 + 1801SOL HW2 5461 3.891 2.678 1.417 0.7116 0.3035 -0.3712 + 1802SOL OW 5462 3.970 1.436 0.364 0.7530 -0.2488 -0.5834 + 1802SOL HW1 5463 4.018 1.419 0.283 0.3334 1.0582 -1.1760 + 1802SOL HW2 5464 3.963 1.532 0.367 0.2364 -0.2915 0.7017 + 1803SOL OW 5465 3.457 2.171 2.622 0.4139 0.2563 0.6377 + 1803SOL HW1 5466 3.467 2.078 2.600 1.4853 0.5476 -0.2926 + 1803SOL HW2 5467 3.362 2.184 2.625 0.1947 -0.5762 -0.7253 + 1804SOL OW 5468 0.674 2.211 3.446 0.2197 -0.4712 0.2791 + 1804SOL HW1 5469 0.697 2.121 3.468 -0.3396 -0.5578 0.5473 + 1804SOL HW2 5470 0.602 2.202 3.382 0.2622 -0.2141 0.1923 + 1805SOL OW 5471 2.649 1.814 2.919 0.2783 -0.2500 0.3621 + 1805SOL HW1 5472 2.640 1.753 2.993 -0.9153 0.1187 0.5552 + 1805SOL HW2 5473 2.563 1.854 2.910 0.6174 0.3056 -0.7401 + 1806SOL OW 5474 0.854 0.919 1.701 -0.3836 0.0733 0.1815 + 1806SOL HW1 5475 0.893 0.848 1.752 -1.4948 -0.2829 0.6060 + 1806SOL HW2 5476 0.844 0.884 1.613 -1.6020 -0.6375 0.5504 + 1807SOL OW 5477 2.596 3.407 0.311 0.3189 0.1000 0.0795 + 1807SOL HW1 5478 2.669 3.402 0.249 -0.0956 0.3859 -0.4469 + 1807SOL HW2 5479 2.634 3.379 0.394 0.9346 -0.1250 -0.2603 + 1808SOL OW 5480 2.386 0.602 0.802 -0.4056 0.3074 -0.0804 + 1808SOL HW1 5481 2.337 0.643 0.732 0.0318 0.4650 -0.3018 + 1808SOL HW2 5482 2.411 0.516 0.768 0.4042 0.6550 -0.3964 + 1809SOL OW 5483 3.007 0.828 2.477 -0.5258 0.1324 -0.0633 + 1809SOL HW1 5484 2.916 0.803 2.463 -0.4720 -0.4110 0.5041 + 1809SOL HW2 5485 3.005 0.923 2.487 -1.2955 0.0023 1.6855 + 1810SOL OW 5486 2.614 1.052 0.231 -0.6158 -0.0348 0.1393 + 1810SOL HW1 5487 2.677 1.114 0.267 -0.8228 -0.4221 1.2437 + 1810SOL HW2 5488 2.533 1.101 0.221 -0.6857 -0.0337 0.6819 + 1811SOL OW 5489 1.270 2.465 1.732 -0.3714 0.1121 -0.0730 + 1811SOL HW1 5490 1.293 2.376 1.705 -0.0521 0.2634 -0.3153 + 1811SOL HW2 5491 1.182 2.456 1.769 0.3092 -0.6122 1.5514 + 1812SOL OW 5492 2.602 3.458 2.244 0.4976 0.4449 -0.7197 + 1812SOL HW1 5493 2.605 3.550 2.270 -0.2078 0.3414 -0.2058 + 1812SOL HW2 5494 2.573 3.459 2.153 -0.4846 0.7178 -0.4258 + 1813SOL OW 5495 0.776 3.307 1.373 -0.2151 0.2431 0.2558 + 1813SOL HW1 5496 0.852 3.312 1.432 -0.4081 0.2481 0.5071 + 1813SOL HW2 5497 0.761 3.213 1.363 -0.3701 0.2437 0.4634 + 1814SOL OW 5498 0.312 2.261 0.395 0.2188 0.0508 0.3886 + 1814SOL HW1 5499 0.328 2.271 0.301 -1.1149 -0.4750 0.0540 + 1814SOL HW2 5500 0.217 2.264 0.403 0.3169 1.1376 1.8820 + 1815SOL OW 5501 2.816 0.674 3.947 -0.2843 -0.3263 0.7522 + 1815SOL HW1 5502 2.794 0.722 4.027 0.4380 1.5684 -0.0690 + 1815SOL HW2 5503 2.908 0.694 3.932 -0.3597 -0.7675 -0.4551 + 1816SOL OW 5504 1.176 2.837 3.417 -0.1737 0.5152 0.5805 + 1816SOL HW1 5505 1.227 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-0.1940 0.1388 + 1895SOL HW1 5742 3.810 1.248 0.656 -0.4840 0.8188 1.0296 + 1895SOL HW2 5743 3.711 1.218 0.767 -0.6221 -1.0843 0.4681 + 1896SOL OW 5744 3.129 1.159 1.679 0.2834 -0.1773 1.2088 + 1896SOL HW1 5745 3.111 1.090 1.615 -0.1860 0.5287 0.5474 + 1896SOL HW2 5746 3.223 1.173 1.673 0.2232 0.0052 0.5190 + 1897SOL OW 5747 0.128 3.933 3.715 0.3404 0.2082 -0.3854 + 1897SOL HW1 5748 0.131 3.845 3.755 -0.0833 0.4547 0.2137 + 1897SOL HW2 5749 0.191 3.984 3.766 0.2423 0.3734 -0.4297 + 1898SOL OW 5750 1.779 0.076 3.005 -0.4226 0.0671 0.0286 + 1898SOL HW1 5751 1.736 0.127 2.937 0.2140 -0.5531 -0.8995 + 1898SOL HW2 5752 1.716 0.006 3.026 -0.5102 0.0961 -0.1349 + 1899SOL OW 5753 1.680 1.664 2.416 -0.2273 -0.3035 -0.4745 + 1899SOL HW1 5754 1.725 1.720 2.353 -0.1720 0.0954 -0.0914 + 1899SOL HW2 5755 1.747 1.645 2.483 -0.1413 -1.1219 -0.7738 + 1900SOL OW 5756 0.923 3.806 1.774 -0.0292 0.4724 -0.0573 + 1900SOL HW1 5757 0.922 3.827 1.681 0.2388 -0.2147 -0.2234 + 1900SOL HW2 5758 0.869 3.874 1.814 -0.4049 0.5990 -0.7477 + 1901SOL OW 5759 2.630 2.244 3.475 -0.3130 -0.0684 0.1412 + 1901SOL HW1 5760 2.568 2.229 3.403 -0.6118 -0.2651 0.4317 + 1901SOL HW2 5761 2.575 2.245 3.554 0.0653 -0.3593 0.4163 + 1902SOL OW 5762 3.389 0.866 2.777 -0.1471 -0.6384 -0.0127 + 1902SOL HW1 5763 3.334 0.876 2.699 -0.5653 -0.7758 0.2543 + 1902SOL HW2 5764 3.354 0.931 2.838 0.1995 -0.5075 0.0532 + 1903SOL OW 5765 3.104 0.816 0.476 -0.0199 0.2760 -0.0420 + 1903SOL HW1 5766 3.009 0.822 0.489 -0.0307 -0.9942 0.7989 + 1903SOL HW2 5767 3.114 0.815 0.381 -0.9940 -0.8466 -0.1820 + 1904SOL OW 5768 1.053 1.209 0.425 0.3571 0.2331 -0.3534 + 1904SOL HW1 5769 1.087 1.226 0.513 0.9724 0.0161 -0.5361 + 1904SOL HW2 5770 1.043 1.114 0.420 0.1754 0.2566 -0.4695 + 1905SOL OW 5771 3.960 0.388 1.396 -0.0642 -0.2093 -0.0398 + 1905SOL HW1 5772 3.886 0.327 1.403 0.6645 -1.0300 0.9084 + 1905SOL HW2 5773 3.965 0.430 1.481 0.7922 -0.4568 0.0469 + 1906SOL OW 5774 3.322 2.275 2.093 0.1782 0.3447 0.0892 + 1906SOL HW1 5775 3.283 2.230 2.018 0.5743 0.7549 -0.3739 + 1906SOL HW2 5776 3.390 2.215 2.124 -0.1708 0.0502 0.3050 + 1907SOL OW 5777 1.093 2.294 1.086 0.5852 -0.3921 0.1446 + 1907SOL HW1 5778 1.055 2.333 1.165 1.1315 -0.3548 0.3974 + 1907SOL HW2 5779 1.030 2.226 1.061 0.8098 -1.0066 1.1214 + 1908SOL OW 5780 3.161 0.335 1.703 -0.0488 -0.0138 0.3292 + 1908SOL HW1 5781 3.157 0.342 1.607 1.2954 -0.5867 0.1804 + 1908SOL HW2 5782 3.070 0.327 1.730 -0.4909 0.4221 -0.8683 + 1909SOL OW 5783 2.774 2.456 1.153 0.3528 0.2466 0.4781 + 1909SOL HW1 5784 2.852 2.404 1.136 -0.5152 -1.0230 0.1631 + 1909SOL HW2 5785 2.771 2.463 1.249 -0.0405 -1.2257 0.6190 + 1910SOL OW 5786 0.826 0.296 0.559 0.1953 0.1915 -0.3763 + 1910SOL HW1 5787 0.740 0.296 0.603 0.6961 -0.4061 0.6872 + 1910SOL HW2 5788 0.819 0.227 0.494 -0.0023 -0.1876 0.0299 + 1911SOL OW 5789 1.305 2.516 3.223 -0.2701 0.1856 0.4170 + 1911SOL HW1 5790 1.219 2.559 3.232 -0.1770 0.2620 1.0121 + 1911SOL HW2 5791 1.332 2.497 3.313 0.2376 -0.0443 0.2228 + 1912SOL OW 5792 1.219 0.029 2.892 -0.1254 0.0361 0.0510 + 1912SOL HW1 5793 1.147 -0.032 2.873 -0.1919 0.0969 0.1069 + 1912SOL HW2 5794 1.232 0.022 2.986 0.1011 -0.1503 0.0085 + 1913SOL OW 5795 1.614 2.667 0.663 0.0011 0.4956 0.0776 + 1913SOL HW1 5796 1.569 2.747 0.637 -0.5386 0.3225 0.4647 + 1913SOL HW2 5797 1.545 2.606 0.687 0.4306 0.3877 1.1782 + 1914SOL OW 5798 3.002 1.594 2.192 -0.4669 -0.3671 0.0434 + 1914SOL HW1 5799 3.087 1.555 2.214 -0.1765 -0.2003 -0.7208 + 1914SOL HW2 5800 2.968 1.627 2.275 1.1589 1.4339 0.1143 + 1915SOL OW 5801 2.659 3.027 1.896 0.4616 -0.2938 -0.5526 + 1915SOL HW1 5802 2.615 3.007 1.813 0.0057 1.0099 -0.6832 + 1915SOL HW2 5803 2.750 3.041 1.872 0.5442 -0.9352 -0.6429 + 1916SOL OW 5804 1.975 2.070 3.343 0.0512 -0.4035 -0.0908 + 1916SOL HW1 5805 1.968 2.150 3.396 1.3336 -0.5083 0.3247 + 1916SOL HW2 5806 1.885 2.041 3.330 -0.4500 1.0091 -0.1141 + 1917SOL OW 5807 3.963 0.413 2.627 -0.0742 0.1702 0.1465 + 1917SOL HW1 5808 3.929 0.445 2.543 0.2211 0.1270 0.0078 + 1917SOL HW2 5809 4.052 0.447 2.631 0.1251 -0.3380 0.1581 + 1918SOL OW 5810 3.088 0.044 0.331 -0.0995 0.1893 -0.4430 + 1918SOL HW1 5811 3.093 0.135 0.360 0.4297 0.4344 -1.2419 + 1918SOL HW2 5812 3.002 0.037 0.289 -0.1641 0.3010 -0.3307 + 1919SOL OW 5813 3.387 2.512 3.803 -0.3639 -0.6076 -0.3701 + 1919SOL HW1 5814 3.385 2.417 3.793 0.7286 -0.5862 -1.2664 + 1919SOL HW2 5815 3.405 2.545 3.715 0.3927 0.3440 0.0998 + 1920SOL OW 5816 2.412 1.973 2.074 -0.3399 -0.5197 -0.3345 + 1920SOL HW1 5817 2.333 1.925 2.049 -0.2931 -0.3597 -0.8068 + 1920SOL HW2 5818 2.441 2.015 1.993 0.0590 -0.3302 -0.0975 + 1921SOL OW 5819 2.511 1.070 1.053 -0.1993 -0.2762 -0.1978 + 1921SOL HW1 5820 2.528 1.135 0.985 0.0124 0.1972 0.2956 + 1921SOL HW2 5821 2.529 1.115 1.135 -0.2902 -0.8864 0.1726 + 1922SOL OW 5822 0.672 3.534 0.807 0.1102 0.2896 -0.0340 + 1922SOL HW1 5823 0.722 3.615 0.810 0.8659 -0.1550 -0.1059 + 1922SOL HW2 5824 0.709 3.485 0.733 0.2861 -0.4961 0.5449 + 1923SOL OW 5825 0.785 3.782 0.857 0.4130 0.5995 0.4462 + 1923SOL HW1 5826 0.866 3.832 0.860 0.7313 0.1416 -0.0761 + 1923SOL HW2 5827 0.717 3.846 0.837 0.7866 0.8472 -0.0572 + 1924SOL OW 5828 1.543 0.356 2.172 0.2531 0.1534 -0.3033 + 1924SOL HW1 5829 1.592 0.282 2.137 0.1795 0.3845 -0.9188 + 1924SOL HW2 5830 1.476 0.316 2.229 1.2269 -0.1561 0.6902 + 1925SOL OW 5831 2.503 1.504 3.709 0.2218 0.0438 -0.4099 + 1925SOL HW1 5832 2.494 1.590 3.668 -0.6322 0.3470 0.3616 + 1925SOL HW2 5833 2.520 1.522 3.801 -1.2051 -0.5677 0.0267 + 1926SOL OW 5834 1.561 1.988 0.876 0.3132 0.5847 -0.2720 + 1926SOL HW1 5835 1.565 1.981 0.971 -0.0841 0.9882 -0.2151 + 1926SOL HW2 5836 1.651 1.977 0.846 0.4087 0.2398 0.1339 + 1927SOL OW 5837 0.423 2.883 2.100 0.2523 0.1403 1.0229 + 1927SOL HW1 5838 0.466 2.800 2.121 0.5823 0.0782 0.2043 + 1927SOL HW2 5839 0.330 2.862 2.096 0.3895 -0.4116 0.0213 + 1928SOL OW 5840 3.601 2.639 0.568 0.7396 0.3039 -0.1643 + 1928SOL HW1 5841 3.599 2.608 0.477 1.1252 -0.6117 0.1238 + 1928SOL HW2 5842 3.693 2.656 0.586 0.5970 1.1443 -0.1355 + 1929SOL OW 5843 0.501 3.889 3.093 -0.2425 -0.2483 -0.1081 + 1929SOL HW1 5844 0.407 3.884 3.113 -0.1149 0.4256 0.8188 + 1929SOL HW2 5845 0.544 3.856 3.172 0.2985 0.1078 -0.2389 + 1930SOL OW 5846 2.309 0.713 3.259 -0.1277 -0.0793 -0.0509 + 1930SOL HW1 5847 2.246 0.774 3.223 0.4650 0.0976 -0.8373 + 1930SOL HW2 5848 2.386 0.721 3.202 0.8066 0.0828 1.1511 + 1931SOL OW 5849 3.020 0.254 0.470 0.0532 -0.4022 0.1767 + 1931SOL HW1 5850 3.002 0.248 0.564 -0.2412 0.2172 0.1711 + 1931SOL HW2 5851 3.001 0.346 0.448 -0.6288 -0.7074 -0.6305 + 1932SOL OW 5852 0.079 3.442 3.166 0.1856 -0.2026 0.0150 + 1932SOL HW1 5853 0.106 3.440 3.258 -0.3457 -0.2722 0.1758 + 1932SOL HW2 5854 0.149 3.397 3.120 0.3082 -0.4480 0.4269 + 1933SOL OW 5855 2.308 2.371 1.613 -0.1313 -0.1551 0.0788 + 1933SOL HW1 5856 2.369 2.405 1.547 -0.4752 -0.2221 -0.2785 + 1933SOL HW2 5857 2.276 2.449 1.659 -1.0444 0.0646 -0.8467 + 1934SOL OW 5858 3.813 2.854 0.914 0.1251 0.2525 -0.1064 + 1934SOL HW1 5859 3.754 2.818 0.980 -0.6987 0.7000 -0.5627 + 1934SOL HW2 5860 3.889 2.885 0.964 0.5401 -1.3557 0.3845 + 1935SOL OW 5861 3.464 3.970 2.486 0.2950 -0.0818 -0.1619 + 1935SOL HW1 5862 3.446 3.878 2.505 0.1043 -0.0219 -0.0515 + 1935SOL HW2 5863 3.518 3.968 2.407 -0.9284 -0.2386 -1.0517 + 1936SOL OW 5864 3.490 3.035 1.263 -0.3057 0.4184 0.0030 + 1936SOL HW1 5865 3.401 3.018 1.294 -0.3144 0.4039 -0.0297 + 1936SOL HW2 5866 3.482 3.039 1.168 -0.0782 -0.7847 -0.0993 + 1937SOL OW 5867 2.397 1.222 0.201 -0.6069 -0.1731 0.3085 + 1937SOL HW1 5868 2.402 1.207 0.107 2.0516 -0.3827 0.3391 + 1937SOL HW2 5869 2.374 1.315 0.209 0.5968 0.2608 -0.6726 + 1938SOL OW 5870 1.351 0.630 0.976 -0.0493 0.0441 0.3115 + 1938SOL HW1 5871 1.397 0.687 0.914 -0.2446 0.8545 0.8836 + 1938SOL HW2 5872 1.258 0.649 0.962 -0.1935 -0.8945 -0.1833 + 1939SOL OW 5873 0.700 2.923 0.737 0.1428 0.1094 0.5440 + 1939SOL HW1 5874 0.702 3.014 0.765 -0.7078 0.3525 -0.1204 + 1939SOL HW2 5875 0.610 2.895 0.752 -0.0266 -0.1254 -0.6845 + 1940SOL OW 5876 0.481 0.055 2.861 0.4349 -0.0898 -0.3173 + 1940SOL HW1 5877 0.470 -0.010 2.792 0.8201 -0.2952 -0.1887 + 1940SOL HW2 5878 0.490 0.004 2.941 0.5589 0.1268 -0.1906 + 1941SOL OW 5879 2.571 1.712 2.074 -0.0653 -0.0675 0.2657 + 1941SOL HW1 5880 2.578 1.727 2.168 -0.0100 0.4531 0.1862 + 1941SOL HW2 5881 2.621 1.783 2.034 -1.1165 0.4753 -0.1784 + 1942SOL OW 5882 0.094 0.269 0.870 -0.1129 -0.0665 -0.2219 + 1942SOL HW1 5883 0.165 0.207 0.889 0.7316 0.9900 0.3191 + 1942SOL HW2 5884 0.027 0.250 0.935 -0.0875 -0.7238 -0.3804 + 1943SOL OW 5885 1.866 2.052 2.867 0.4572 0.2986 0.3382 + 1943SOL HW1 5886 1.883 1.990 2.938 -0.7315 -0.1114 0.3125 + 1943SOL HW2 5887 1.916 2.017 2.793 -0.2669 -0.7379 0.2924 + 1944SOL OW 5888 1.648 0.656 0.570 -0.5738 -0.4910 -0.5947 + 1944SOL HW1 5889 1.603 0.718 0.513 -1.0827 -0.5644 -0.2779 + 1944SOL HW2 5890 1.719 0.622 0.515 -0.6020 -0.0146 -0.9390 + 1945SOL OW 5891 1.671 0.014 1.919 -0.5155 -0.5123 -0.4564 + 1945SOL HW1 5892 1.613 -0.062 1.922 -0.9565 -0.1870 -0.5507 + 1945SOL HW2 5893 1.613 0.088 1.899 -0.3989 0.1456 1.3023 + 1946SOL OW 5894 0.721 1.716 0.487 0.4206 0.1247 -0.1599 + 1946SOL HW1 5895 0.758 1.793 0.530 -0.2210 0.0735 0.5234 + 1946SOL HW2 5896 0.636 1.745 0.454 0.4237 -0.1403 -0.4086 + 1947SOL OW 5897 3.131 2.647 3.749 0.0915 -0.1979 0.2521 + 1947SOL HW1 5898 3.128 2.579 3.816 0.0303 -0.9623 -0.4930 + 1947SOL HW2 5899 3.110 2.601 3.668 -1.0328 0.9212 -0.1391 + 1948SOL OW 5900 1.523 0.758 0.796 0.1523 -0.0791 -0.5595 + 1948SOL HW1 5901 1.594 0.774 0.858 0.0310 0.0095 -0.4407 + 1948SOL HW2 5902 1.566 0.722 0.718 0.1991 -1.2984 -0.0155 + 1949SOL OW 5903 0.627 2.059 1.723 -0.2871 0.4297 -0.1209 + 1949SOL HW1 5904 0.669 2.055 1.809 0.1716 -0.2061 -0.3544 + 1949SOL HW2 5905 0.534 2.053 1.741 -0.1693 -0.2757 0.3078 + 1950SOL OW 5906 2.124 1.137 0.701 0.1595 -0.2749 0.4557 + 1950SOL HW1 5907 2.047 1.116 0.648 -0.2915 -0.0483 1.0017 + 1950SOL HW2 5908 2.176 1.056 0.699 -0.0212 -0.3903 -0.0216 + 1951SOL OW 5909 1.899 1.360 0.449 -0.4381 0.1932 -0.0170 + 1951SOL HW1 5910 1.840 1.289 0.475 -0.4677 0.1322 -0.2455 + 1951SOL HW2 5911 1.982 1.316 0.430 -0.4169 0.2374 -0.0262 + 1952SOL OW 5912 0.073 1.727 0.338 -0.4886 -0.3677 -0.6223 + 1952SOL HW1 5913 0.164 1.699 0.346 -0.5629 -0.4959 -0.1736 + 1952SOL HW2 5914 0.065 1.800 0.401 -0.8597 -0.7889 -0.1679 + 1953SOL OW 5915 0.439 1.000 3.215 0.0020 -1.1616 -0.0264 + 1953SOL HW1 5916 0.450 1.095 3.223 -1.1240 -0.8322 -1.4949 + 1953SOL HW2 5917 0.526 0.968 3.193 0.2243 -0.3110 -0.5005 + 1954SOL OW 5918 1.691 2.037 2.286 -0.0256 -0.2093 -0.1870 + 1954SOL HW1 5919 1.772 2.008 2.244 0.3321 0.2806 0.1346 + 1954SOL HW2 5920 1.666 2.116 2.238 0.3133 0.2802 0.4029 + 1955SOL OW 5921 2.110 2.673 3.807 0.0808 -0.5090 -0.4186 + 1955SOL HW1 5922 2.108 2.731 3.883 0.4252 0.1883 -0.9169 + 1955SOL HW2 5923 2.062 2.595 3.835 0.3924 -0.3740 0.5873 + 1956SOL OW 5924 1.386 3.691 3.043 0.3173 -0.0702 -0.9089 + 1956SOL HW1 5925 1.385 3.730 3.131 0.6848 -0.4983 -0.7072 + 1956SOL HW2 5926 1.345 3.757 2.987 1.5703 0.9439 -0.7184 + 1957SOL OW 5927 2.184 3.227 3.365 0.8368 0.2849 -0.1364 + 1957SOL HW1 5928 2.212 3.269 3.284 0.4107 -0.3569 -0.6454 + 1957SOL HW2 5929 2.247 3.155 3.377 0.9995 0.4825 0.1993 + 1958SOL OW 5930 0.809 2.403 0.295 0.1400 0.2481 0.2020 + 1958SOL HW1 5931 0.898 2.430 0.274 0.1509 -0.2081 -0.3841 + 1958SOL HW2 5932 0.774 2.368 0.212 -0.1715 -0.6960 0.7055 + 1959SOL OW 5933 3.389 1.250 2.759 -0.1027 0.0751 0.3537 + 1959SOL HW1 5934 3.306 1.276 2.798 -0.0479 -0.1195 0.6037 + 1959SOL HW2 5935 3.454 1.261 2.829 0.2159 0.9291 -0.0448 + 1960SOL OW 5936 2.066 2.815 0.910 -0.8341 -0.3816 0.3394 + 1960SOL HW1 5937 2.126 2.744 0.886 0.4967 0.9630 -0.6758 + 1960SOL HW2 5938 1.978 2.776 0.901 -0.1915 -1.8345 -0.3571 + 1961SOL OW 5939 0.198 3.766 2.208 0.6991 -0.2982 0.1874 + 1961SOL HW1 5940 0.143 3.827 2.158 1.0078 -1.0823 -1.2366 + 1961SOL HW2 5941 0.140 3.731 2.276 -0.0605 0.1284 -0.2136 + 1962SOL OW 5942 3.632 3.969 0.077 -0.4457 -0.4806 -0.4662 + 1962SOL HW1 5943 3.725 3.991 0.071 -0.6814 1.2873 0.7543 + 1962SOL HW2 5944 3.621 3.936 0.167 -1.1641 0.8869 0.0180 + 1963SOL OW 5945 1.995 0.735 0.746 0.4821 -0.2471 0.3248 + 1963SOL HW1 5946 2.005 0.639 0.746 2.4167 -0.1431 1.0384 + 1963SOL HW2 5947 1.988 0.758 0.839 1.0637 0.3319 0.2394 + 1964SOL OW 5948 1.409 3.329 0.778 -0.0391 -0.1091 -0.1565 + 1964SOL HW1 5949 1.443 3.349 0.865 -0.0109 -0.3502 -0.1099 + 1964SOL HW2 5950 1.315 3.323 0.789 0.0146 -0.7826 -0.0063 + 1965SOL OW 5951 2.578 3.904 3.025 -0.6780 0.1615 -0.2331 + 1965SOL HW1 5952 2.542 3.842 2.962 0.4221 -0.0779 -0.6873 + 1965SOL HW2 5953 2.673 3.889 3.020 -0.4535 1.2357 0.3298 + 1966SOL OW 5954 2.497 0.731 3.450 -0.2674 0.2865 -0.1711 + 1966SOL HW1 5955 2.428 0.715 3.385 -0.9756 0.6341 0.4582 + 1966SOL HW2 5956 2.578 0.708 3.405 -0.8927 -2.6783 -0.1799 + 1967SOL OW 5957 2.997 3.379 1.624 -0.0622 0.1584 0.2823 + 1967SOL HW1 5958 3.013 3.285 1.617 -0.4509 0.1195 -0.1128 + 1967SOL HW2 5959 3.084 3.418 1.615 0.0079 -0.1250 -0.3890 + 1968SOL OW 5960 3.798 3.854 2.606 -0.5966 0.4930 0.5933 + 1968SOL HW1 5961 3.756 3.775 2.639 -0.0349 -0.6238 -1.1135 + 1968SOL HW2 5962 3.756 3.925 2.654 -1.8851 -0.7406 1.4654 + 1969SOL OW 5963 1.030 3.956 3.563 -0.1777 -0.3231 -0.4344 + 1969SOL HW1 5964 1.086 3.980 3.489 -0.0361 -0.5906 -0.4184 + 1969SOL HW2 5965 1.083 3.894 3.614 -0.1245 0.1519 0.1018 + 1970SOL OW 5966 3.803 2.052 0.804 -0.5993 0.0721 0.4432 + 1970SOL HW1 5967 3.718 2.046 0.759 -0.4993 -0.5893 0.3244 + 1970SOL HW2 5968 3.834 1.962 0.809 0.6038 0.3756 -0.5031 + 1971SOL OW 5969 3.414 2.867 3.342 0.2821 0.4478 0.0847 + 1971SOL HW1 5970 3.336 2.905 3.303 0.1235 0.3143 0.2722 + 1971SOL HW2 5971 3.386 2.837 3.428 0.3817 -0.1803 -0.0955 + 1972SOL OW 5972 1.387 0.525 2.025 0.6420 -0.4314 0.0661 + 1972SOL HW1 5973 1.430 0.608 2.044 -0.8719 0.1001 1.8005 + 1972SOL HW2 5974 1.435 0.460 2.077 0.8754 -0.3426 -0.0364 + 1973SOL OW 5975 1.176 0.916 3.652 0.0831 0.2244 0.2634 + 1973SOL HW1 5976 1.193 0.955 3.738 0.5565 0.2320 0.1731 + 1973SOL HW2 5977 1.081 0.912 3.646 0.0415 0.0874 0.8498 + 1974SOL OW 5978 3.416 0.812 1.762 0.0237 0.5266 0.5949 + 1974SOL HW1 5979 3.325 0.791 1.743 -0.2528 1.9278 0.1072 + 1974SOL HW2 5980 3.466 0.767 1.693 -0.3487 0.2736 0.4857 + 1975SOL OW 5981 3.710 2.645 0.032 -0.0097 0.1045 0.2189 + 1975SOL HW1 5982 3.782 2.582 0.028 0.1274 0.1753 1.1345 + 1975SOL HW2 5983 3.644 2.610 -0.028 0.5002 -0.3326 -0.1046 + 1976SOL OW 5984 2.356 3.060 1.029 -0.0655 0.6686 0.2088 + 1976SOL HW1 5985 2.277 3.077 0.977 0.0399 0.5490 0.0033 + 1976SOL HW2 5986 2.369 3.140 1.080 0.3760 1.1953 -0.6681 + 1977SOL OW 5987 0.517 2.502 1.471 -0.0095 0.5176 -0.1054 + 1977SOL HW1 5988 0.533 2.480 1.562 0.5782 -1.1855 -0.5446 + 1977SOL HW2 5989 0.428 2.470 1.453 -0.6525 1.9837 0.1074 + 1978SOL OW 5990 3.561 2.089 2.083 0.5991 0.1182 -0.2982 + 1978SOL HW1 5991 3.591 2.171 2.044 0.1557 0.4604 0.0477 + 1978SOL HW2 5992 3.527 2.039 2.009 -0.9463 1.0689 -0.3319 + 1979SOL OW 5993 3.382 1.229 1.771 0.4600 0.1594 -0.3706 + 1979SOL HW1 5994 3.444 1.160 1.794 0.6640 0.3498 -0.3456 + 1979SOL HW2 5995 3.433 1.291 1.718 0.4941 0.7085 0.2795 + 1980SOL OW 5996 2.690 3.349 3.882 0.3879 -0.0321 -0.2572 + 1980SOL HW1 5997 2.726 3.378 3.798 0.1643 0.2597 -0.2547 + 1980SOL HW2 5998 2.598 3.331 3.864 0.3148 0.1289 -0.0523 + 1981SOL OW 5999 2.171 2.628 1.301 -0.3070 -0.4714 -0.0102 + 1981SOL HW1 6000 2.249 2.644 1.248 0.2611 -0.1060 0.8891 + 1981SOL HW2 6001 2.189 2.672 1.384 -1.0970 -1.1296 0.5422 + 1982SOL OW 6002 3.889 -0.003 0.119 -0.2810 0.1243 -0.4237 + 1982SOL HW1 6003 3.922 0.082 0.149 -1.8682 0.5128 0.4086 + 1982SOL HW2 6004 3.893 -0.058 0.197 -0.2658 -0.2492 -0.6860 + 1983SOL OW 6005 0.855 2.926 2.112 0.0551 -0.5175 0.0863 + 1983SOL HW1 6006 0.934 2.952 2.063 -0.1704 -0.4750 -0.2582 + 1983SOL HW2 6007 0.784 2.972 2.069 -0.0948 -0.0767 0.7724 + 1984SOL OW 6008 1.703 3.828 3.259 -0.3705 -0.1657 0.3508 + 1984SOL HW1 6009 1.679 3.823 3.167 -0.3012 1.2578 0.2040 + 1984SOL HW2 6010 1.799 3.827 3.259 -0.3470 0.5260 0.3039 + 1985SOL OW 6011 3.806 0.734 1.224 0.2289 -0.2254 0.1359 + 1985SOL HW1 6012 3.874 0.743 1.157 0.1843 0.0235 0.1199 + 1985SOL HW2 6013 3.772 0.823 1.234 -0.6679 -0.4798 -0.4478 + 1986SOL OW 6014 2.453 3.611 0.216 0.0825 -0.4612 0.1360 + 1986SOL HW1 6015 2.456 3.590 0.122 1.3412 -0.3046 0.1023 + 1986SOL HW2 6016 2.512 3.547 0.256 -0.3461 -0.4436 0.8143 + 1987SOL OW 6017 0.845 0.535 0.141 -0.2689 0.4372 0.4545 + 1987SOL HW1 6018 0.777 0.540 0.074 -0.0135 -0.7826 0.0434 + 1987SOL HW2 6019 0.921 0.499 0.094 0.8104 2.0255 0.8094 + 1988SOL OW 6020 2.409 2.237 2.201 0.1676 0.0679 0.4324 + 1988SOL HW1 6021 2.437 2.155 2.160 0.2017 -0.0322 0.6531 + 1988SOL HW2 6022 2.344 2.273 2.140 -0.6136 -0.6271 0.8006 + 1989SOL OW 6023 0.385 1.094 0.506 0.3326 -0.2611 0.0761 + 1989SOL HW1 6024 0.295 1.062 0.496 0.4474 -0.2943 -1.1407 + 1989SOL HW2 6025 0.432 1.021 0.547 -0.1249 -0.3358 0.4894 + 1990SOL OW 6026 2.133 2.930 1.826 0.2871 -0.1566 -0.0294 + 1990SOL HW1 6027 2.147 2.957 1.735 -0.6900 0.5156 -0.0124 + 1990SOL HW2 6028 2.214 2.954 1.871 0.4013 0.4622 -0.5338 + 1991SOL OW 6029 0.660 3.879 1.390 0.7785 -0.1751 0.9201 + 1991SOL HW1 6030 0.608 3.798 1.383 -0.2136 0.4934 -0.5930 + 1991SOL HW2 6031 0.628 3.922 1.468 -0.5544 -0.0984 0.3782 + 1992SOL OW 6032 2.345 1.768 1.764 -0.0543 -0.0001 0.2557 + 1992SOL HW1 6033 2.304 1.683 1.747 -0.1456 -0.1267 1.0211 + 1992SOL HW2 6034 2.281 1.814 1.819 0.3943 0.1891 0.6369 + 1993SOL OW 6035 0.810 0.551 1.094 0.1892 -0.3536 -0.3907 + 1993SOL HW1 6036 0.779 0.539 1.004 1.0302 1.2097 -0.9742 + 1993SOL HW2 6037 0.880 0.487 1.104 0.7957 0.1064 -1.2891 + 1994SOL OW 6038 3.841 0.711 3.372 0.0004 -0.1740 0.4735 + 1994SOL HW1 6039 3.756 0.670 3.392 -0.0128 0.1000 1.0023 + 1994SOL HW2 6040 3.905 0.641 3.387 -0.1355 -0.4503 -0.1466 + 1995SOL OW 6041 2.281 1.422 2.511 0.3616 0.6409 0.3914 + 1995SOL HW1 6042 2.311 1.460 2.593 -0.8056 -0.2649 1.3034 + 1995SOL HW2 6043 2.189 1.402 2.526 0.1758 0.1831 -1.0609 + 1996SOL OW 6044 0.577 2.679 0.482 0.3295 -0.0494 -0.0285 + 1996SOL HW1 6045 0.529 2.596 0.490 0.5755 -0.1638 0.3218 + 1996SOL HW2 6046 0.562 2.724 0.565 -0.1732 0.4687 -0.3880 + 1997SOL OW 6047 0.499 1.978 2.872 -0.1235 0.1042 -0.5264 + 1997SOL HW1 6048 0.537 2.017 2.951 0.3451 1.2012 -1.2432 + 1997SOL HW2 6049 0.511 1.884 2.883 -0.6695 0.1628 0.9818 + 1998SOL OW 6050 1.131 0.944 3.105 0.4172 0.3014 0.3408 + 1998SOL HW1 6051 1.220 0.909 3.103 0.1997 -0.6844 -2.7764 + 1998SOL HW2 6052 1.076 0.867 3.121 0.1242 -0.0584 -1.7886 + 1999SOL OW 6053 0.495 3.835 2.685 0.2473 -0.0163 0.3211 + 1999SOL HW1 6054 0.404 3.807 2.671 0.5681 -0.9145 -0.1309 + 1999SOL HW2 6055 0.534 3.833 2.598 0.2116 2.4754 0.1170 + 2000SOL OW 6056 1.701 1.157 0.439 0.0413 -0.0725 -0.2176 + 2000SOL HW1 6057 1.639 1.113 0.498 0.1119 0.8558 0.5933 + 2000SOL HW2 6058 1.756 1.087 0.406 0.0478 -0.6336 0.8919 + 2001SOL OW 6059 3.488 1.147 1.442 0.0400 0.8703 -0.6354 + 2001SOL HW1 6060 3.561 1.190 1.397 1.3967 -0.0879 0.4577 + 2001SOL HW2 6061 3.521 1.060 1.462 -0.5783 1.0353 1.7098 + 2002SOL OW 6062 3.755 3.539 2.009 0.5412 -0.1684 0.9193 + 2002SOL HW1 6063 3.842 3.501 2.021 1.0323 0.3075 -0.6496 + 2002SOL HW2 6064 3.772 3.633 1.999 0.0256 -0.1840 -0.5098 + 2003SOL OW 6065 1.377 0.947 2.401 0.7650 -0.0606 -0.1437 + 2003SOL HW1 6066 1.372 0.854 2.421 -1.4488 0.0374 0.3087 + 2003SOL HW2 6067 1.344 0.955 2.312 0.5180 0.3093 -0.0248 + 2004SOL OW 6068 1.221 3.015 0.802 0.4129 0.5609 0.0167 + 2004SOL HW1 6069 1.316 3.014 0.811 0.5159 0.0177 -0.8501 + 2004SOL HW2 6070 1.192 2.932 0.839 0.2528 0.8003 0.4353 + 2005SOL OW 6071 3.394 0.329 0.086 0.0268 0.1959 0.3002 + 2005SOL HW1 6072 3.468 0.309 0.029 0.3406 1.7628 0.0549 + 2005SOL HW2 6073 3.323 0.272 0.055 0.4635 0.3284 -1.0502 + 2006SOL OW 6074 2.781 1.801 2.635 0.3180 -0.0575 -0.3170 + 2006SOL HW1 6075 2.733 1.790 2.718 -0.2972 -0.2621 -0.6858 + 2006SOL HW2 6076 2.857 1.854 2.658 -0.0142 0.1668 0.3197 + 2007SOL OW 6077 3.415 3.727 2.853 0.8581 -0.0004 -0.6633 + 2007SOL HW1 6078 3.352 3.795 2.878 0.1908 -1.0705 0.8299 + 2007SOL HW2 6079 3.498 3.757 2.889 0.7047 0.3304 -0.5765 + 2008SOL OW 6080 2.955 2.641 0.066 -0.6140 -0.2698 -0.3588 + 2008SOL HW1 6081 3.004 2.576 0.015 -0.6560 -0.7800 0.2251 + 2008SOL HW2 6082 3.023 2.699 0.102 -0.4914 -0.5453 -0.1379 + 2009SOL OW 6083 1.324 3.763 2.112 0.2205 -0.4736 -0.0808 + 2009SOL HW1 6084 1.274 3.844 2.099 0.2213 -0.4888 -0.1755 + 2009SOL HW2 6085 1.259 3.693 2.108 0.1743 -0.4557 0.3076 + 2010SOL OW 6086 3.937 3.559 0.304 0.4027 -0.2472 -0.2802 + 2010SOL HW1 6087 3.909 3.507 0.229 0.1238 -0.9100 0.2683 + 2010SOL HW2 6088 3.985 3.498 0.360 0.2988 0.1447 0.2568 + 2011SOL OW 6089 3.022 0.569 3.188 0.1137 0.5783 0.2616 + 2011SOL HW1 6090 3.085 0.502 3.161 0.4793 1.1194 -0.2794 + 2011SOL HW2 6091 3.034 0.575 3.283 -0.0059 -0.1856 0.3358 + 2012SOL OW 6092 3.628 2.838 3.694 0.0342 0.3446 0.4921 + 2012SOL HW1 6093 3.601 2.772 3.631 -0.0606 1.0144 -0.1904 + 2012SOL HW2 6094 3.548 2.885 3.716 0.2191 0.7007 0.4148 + 2013SOL OW 6095 2.854 0.049 0.211 -0.5440 -0.2301 0.4887 + 2013SOL HW1 6096 2.795 0.025 0.139 -1.0033 -0.5105 0.9523 + 2013SOL HW2 6097 2.796 0.076 0.282 -0.0825 1.2120 0.3788 + 2014SOL OW 6098 3.140 0.460 2.767 0.2505 -0.3035 -0.3080 + 2014SOL HW1 6099 3.110 0.532 2.823 -1.1255 0.0665 -1.4124 + 2014SOL HW2 6100 3.217 0.496 2.722 0.4090 -0.0394 0.1564 + 2015SOL OW 6101 3.540 0.154 1.492 0.5261 0.6964 0.3683 + 2015SOL HW1 6102 3.510 0.241 1.466 0.0256 0.4173 -0.0275 + 2015SOL HW2 6103 3.460 0.110 1.523 0.7148 0.2771 0.2659 + 2016SOL OW 6104 1.891 3.742 1.702 0.2187 0.7092 -0.6264 + 2016SOL HW1 6105 1.975 3.730 1.656 0.5087 0.3832 -0.0332 + 2016SOL HW2 6106 1.916 3.775 1.789 -0.1618 -0.6312 0.0363 + 2017SOL OW 6107 2.630 2.582 0.959 0.1903 0.8793 -0.3429 + 2017SOL HW1 6108 2.674 2.555 1.040 -0.6428 1.0872 0.2073 + 2017SOL HW2 6109 2.672 2.665 0.937 0.4164 0.8318 -0.1117 + 2018SOL OW 6110 1.033 0.275 3.063 -0.1286 0.5701 0.3227 + 2018SOL HW1 6111 0.967 0.335 3.099 0.4995 0.6762 1.3860 + 2018SOL HW2 6112 0.997 0.248 2.979 -1.3357 0.9338 0.6768 + 2019SOL OW 6113 2.960 3.787 1.573 0.5425 -0.1346 0.5982 + 2019SOL HW1 6114 2.929 3.744 1.493 -0.3952 0.5556 0.5578 + 2019SOL HW2 6115 2.979 3.715 1.633 -1.0923 -0.6669 0.5834 + 2020SOL OW 6116 2.863 3.451 0.828 -0.1097 -0.2637 -0.0436 + 2020SOL HW1 6117 2.823 3.377 0.872 -0.2021 -0.2399 -0.0864 + 2020SOL HW2 6118 2.953 3.424 0.813 -0.2648 -0.5584 -0.4859 + 2021SOL OW 6119 1.435 2.519 3.761 -0.0036 -0.0931 0.0148 + 2021SOL HW1 6120 1.373 2.459 3.803 -0.4316 0.4085 0.1164 + 2021SOL HW2 6121 1.383 2.596 3.739 0.6849 0.5466 0.5382 + 2022SOL OW 6122 0.947 3.319 2.944 0.8809 -0.1367 0.4295 + 2022SOL HW1 6123 1.038 3.305 2.917 0.7555 0.0949 -0.1566 + 2022SOL HW2 6124 0.895 3.278 2.875 0.5292 1.2971 -0.2399 + 2023SOL OW 6125 2.011 2.436 0.391 0.4650 0.7583 0.0973 + 2023SOL HW1 6126 2.055 2.379 0.454 0.2440 0.7623 0.2579 + 2023SOL HW2 6127 1.928 2.457 0.432 1.0966 2.3763 0.7250 + 2024SOL OW 6128 3.161 1.449 0.287 -0.0244 0.2090 -0.2603 + 2024SOL HW1 6129 3.147 1.392 0.363 -0.1745 0.9790 0.3235 + 2024SOL HW2 6130 3.230 1.407 0.237 0.1197 -0.2952 0.3428 + 2025SOL OW 6131 2.286 0.534 0.319 -0.0276 -0.3657 0.7905 + 2025SOL HW1 6132 2.264 0.569 0.233 -0.6876 -1.7717 0.3294 + 2025SOL HW2 6133 2.377 0.506 0.311 -0.1135 -0.5678 0.5221 + 2026SOL OW 6134 0.086 0.231 3.045 0.0964 0.1383 -0.1010 + 2026SOL HW1 6135 0.050 0.204 3.130 0.5678 0.4242 0.2051 + 2026SOL HW2 6136 0.010 0.249 2.991 -0.2330 0.7815 0.5387 + 2027SOL OW 6137 2.700 2.118 2.537 -0.1793 -0.1402 -0.0046 + 2027SOL HW1 6138 2.676 2.056 2.606 0.8325 -0.8181 -0.2062 + 2027SOL HW2 6139 2.669 2.202 2.568 -1.5727 -0.7225 0.3109 + 2028SOL OW 6140 0.356 3.880 0.472 1.1079 -0.1476 0.2350 + 2028SOL HW1 6141 0.327 3.790 0.461 -0.0278 0.2737 -0.7468 + 2028SOL HW2 6142 0.336 3.901 0.563 -0.1492 -0.4394 0.0659 + 2029SOL OW 6143 1.274 0.251 3.575 -0.2842 0.1751 0.4679 + 2029SOL HW1 6144 1.310 0.329 3.617 -0.2355 0.1103 0.5471 + 2029SOL HW2 6145 1.282 0.182 3.641 -0.3029 0.0968 0.3892 + 2030SOL OW 6146 0.815 1.776 3.267 -0.2440 0.2043 -0.1329 + 2030SOL HW1 6147 0.781 1.696 3.307 -0.5653 0.5279 0.2484 + 2030SOL HW2 6148 0.825 1.753 3.174 -0.6813 -0.1666 -0.0984 + 2031SOL OW 6149 0.181 3.141 3.829 -0.3625 -0.0424 -0.2414 + 2031SOL HW1 6150 0.096 3.098 3.815 -0.2321 -0.5140 0.3068 + 2031SOL HW2 6151 0.210 3.167 3.742 -1.1157 0.2187 -0.4276 + 2032SOL OW 6152 0.698 2.695 3.745 -0.2549 -0.0268 0.2981 + 2032SOL HW1 6153 0.654 2.770 3.706 0.5853 0.0899 -0.5134 + 2032SOL HW2 6154 0.660 2.619 3.701 -0.2997 0.0101 0.2732 + 2033SOL OW 6155 3.348 0.848 0.247 -0.2629 -0.1841 0.3070 + 2033SOL HW1 6156 3.322 0.758 0.267 0.4348 -0.1731 1.4956 + 2033SOL HW2 6157 3.440 0.840 0.219 -0.2775 0.1299 0.1715 + 2034SOL OW 6158 1.150 1.481 3.896 0.0563 0.2563 0.0821 + 2034SOL HW1 6159 1.115 1.528 3.972 0.1379 -0.2906 0.4718 + 2034SOL HW2 6160 1.076 1.473 3.837 -0.4295 -0.6222 0.7668 + 2035SOL OW 6161 3.307 1.204 3.130 -0.2400 -0.4504 -0.3539 + 2035SOL HW1 6162 3.382 1.253 3.096 0.0814 -0.7277 -0.0555 + 2035SOL HW2 6163 3.301 1.127 3.073 -0.4015 -0.3510 -0.4753 + 2036SOL OW 6164 0.307 3.143 3.246 0.0961 -0.1157 0.6912 + 2036SOL HW1 6165 0.299 3.083 3.320 -1.2524 -0.1717 0.5428 + 2036SOL HW2 6166 0.242 3.112 3.183 0.2610 0.7454 0.0649 + 2037SOL OW 6167 1.211 1.827 0.438 0.6023 0.2206 0.1671 + 2037SOL HW1 6168 1.122 1.862 0.447 0.4494 -0.2096 0.3683 + 2037SOL HW2 6169 1.264 1.903 0.414 0.1143 0.4148 -0.3431 + 2038SOL OW 6170 2.872 3.657 2.131 0.1179 0.3588 -0.2966 + 2038SOL HW1 6171 2.915 3.705 2.061 0.0350 0.3775 -0.3359 + 2038SOL HW2 6172 2.782 3.645 2.099 0.2167 -0.0954 -0.4275 + 2039SOL OW 6173 3.105 3.450 3.634 0.5077 0.1562 -0.0442 + 2039SOL HW1 6174 3.063 3.467 3.718 0.2202 0.9705 -0.3276 + 2039SOL HW2 6175 3.199 3.453 3.653 0.5016 1.8100 0.0506 + 2040SOL OW 6176 2.726 2.019 2.238 0.0408 0.3056 -0.0780 + 2040SOL HW1 6177 2.744 2.026 2.332 0.4698 0.1374 -0.1415 + 2040SOL HW2 6178 2.635 2.046 2.229 -0.2193 -0.3188 0.4788 + 2041SOL OW 6179 2.252 1.670 2.838 -0.0449 -0.1120 0.2898 + 2041SOL HW1 6180 2.295 1.750 2.869 -0.5296 0.1343 0.3472 + 2041SOL HW2 6181 2.303 1.643 2.761 0.4019 -0.0145 0.5428 + 2042SOL OW 6182 2.524 2.533 0.561 0.1624 0.7637 0.6262 + 2042SOL HW1 6183 2.603 2.576 0.527 0.3735 -0.2930 -0.3439 + 2042SOL HW2 6184 2.462 2.604 0.574 0.8790 1.4912 0.2441 + 2043SOL OW 6185 0.546 3.245 2.950 -0.2298 -0.2383 0.5304 + 2043SOL HW1 6186 0.602 3.321 2.967 -0.4120 0.0651 -0.1531 + 2043SOL HW2 6187 0.459 3.282 2.934 -0.4004 -0.6214 0.5451 + 2044SOL OW 6188 3.324 3.459 2.459 0.0935 -0.5777 0.3753 + 2044SOL HW1 6189 3.245 3.408 2.475 0.4107 -1.4404 -0.6215 + 2044SOL HW2 6190 3.318 3.485 2.367 0.7347 -0.2409 0.4189 + 2045SOL OW 6191 0.994 2.256 2.828 -0.0499 -0.6529 0.0220 + 2045SOL HW1 6192 0.906 2.280 2.855 -0.0587 -1.0661 0.3990 + 2045SOL HW2 6193 1.036 2.338 2.803 -0.5254 -0.4499 -0.1219 + 2046SOL OW 6194 2.033 0.127 1.798 0.4249 0.3768 -0.4281 + 2046SOL HW1 6195 2.126 0.136 1.779 0.2537 0.8616 -1.1212 + 2046SOL HW2 6196 2.020 0.178 1.878 1.0179 -1.0083 0.6159 + 2047SOL OW 6197 3.564 2.075 3.023 0.5493 -0.1161 -0.0955 + 2047SOL HW1 6198 3.516 2.011 2.971 0.2165 0.6538 -0.7744 + 2047SOL HW2 6199 3.604 2.024 3.093 -0.6865 -0.9043 0.1008 + 2048SOL OW 6200 4.002 2.236 0.754 0.7113 0.0307 0.3477 + 2048SOL HW1 6201 3.977 2.247 0.662 -0.8291 1.0538 0.8248 + 2048SOL HW2 6202 3.940 2.172 0.788 0.4601 0.5722 0.9391 + 2049SOL OW 6203 0.421 3.261 1.751 -0.1380 -0.1737 0.2156 + 2049SOL HW1 6204 0.482 3.277 1.822 0.2483 0.0274 -0.1519 + 2049SOL HW2 6205 0.477 3.242 1.675 -0.4555 1.2750 -0.4528 + 2050SOL OW 6206 0.933 2.998 3.945 -0.3218 -0.0540 0.0935 + 2050SOL HW1 6207 0.854 3.006 3.892 -1.1133 0.6531 1.2878 + 2050SOL HW2 6208 0.977 3.083 3.936 -0.3975 0.0271 0.4496 + 2051SOL OW 6209 1.715 0.106 2.177 0.7228 0.2520 0.1320 + 2051SOL HW1 6210 1.685 0.068 2.095 -0.5237 0.1900 0.5690 + 2051SOL HW2 6211 1.806 0.131 2.161 0.4381 0.4913 -1.3368 + 2052SOL OW 6212 1.591 1.695 1.304 0.6710 -0.1302 -0.0587 + 2052SOL HW1 6213 1.533 1.770 1.318 1.7811 0.5850 1.1446 + 2052SOL HW2 6214 1.612 1.699 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1.972 1.043 2.752 -0.8337 -0.6155 -1.2627 + 2160SOL OW 6536 3.234 2.282 0.889 0.4820 0.0452 0.0134 + 2160SOL HW1 6537 3.160 2.326 0.931 0.6042 0.0707 0.2011 + 2160SOL HW2 6538 3.218 2.295 0.795 0.4337 0.3558 0.0608 + 2161SOL OW 6539 3.688 1.033 2.291 0.1755 -0.1758 -0.1395 + 2161SOL HW1 6540 3.649 1.087 2.222 -0.1812 -0.6837 -0.3484 + 2161SOL HW2 6541 3.777 1.015 2.260 0.1507 -0.0698 -0.2728 + 3.98571 3.98571 3.98571 diff --git a/simulations/helical_peptide_control/md/short_peptide/t_250/npt_new.mdp b/simulations/helical_peptide_control/md/short_peptide/t_250/npt_new.mdp new file mode 100644 index 00000000..6a741099 --- /dev/null +++ b/simulations/helical_peptide_control/md/short_peptide/t_250/npt_new.mdp @@ -0,0 +1,33 @@ +title = NPT simulation of solvated.gro at 250 K +integrator = md +dt = 0.004 +nsteps = 25000000 +nstxout-compressed = 50000 +nstxout = 50000 +nstvout = 50000 +nstfout = 50000 +nstenergy = 50000 +cutoff-scheme = Verlet +nstlist = 40 +vdwtype = cutoff +vdw-modifier = Potential-shift-Verlet +rvdw = 1 +coulombtype = PME +coulomb-modifier = Potential-shift-Verlet +rcoulomb = 1 +Tcoupl = v-rescale +tc-grps = system +tau-t = 2 +ref-t = 250 +Pcoupl = Parrinello-Rahman +Pcoupltype = isotropic +ref-p = 1 +tau-p = 20 +compressibility = 4.5e-5 +gen-vel = no +gen-temp = 250 +DispCorr = EnerPres +constraints = h-bonds +constraint-algorithm = lincs +lincs_iter = 2 ; accuracy of LINCS +lincs_order = 8 ; also related to accuracy diff --git a/simulations/helical_peptide_control/md/t_260/submit.berendsen_npt.slurm b/simulations/helical_peptide_control/md/short_peptide/t_250/submit.berendsen_npt.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_260/submit.berendsen_npt.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_250/submit.berendsen_npt.slurm diff --git a/simulations/helical_peptide_control/md/t_260/submit.berendsen_nvt.slurm b/simulations/helical_peptide_control/md/short_peptide/t_250/submit.berendsen_nvt.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_260/submit.berendsen_nvt.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_250/submit.berendsen_nvt.slurm diff --git a/simulations/helical_peptide_control/md/t_260/submit.continue.slurm b/simulations/helical_peptide_control/md/short_peptide/t_250/submit.continue.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_260/submit.continue.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_250/submit.continue.slurm diff --git a/simulations/helical_peptide_control/md/t_260/submit.production.slurm b/simulations/helical_peptide_control/md/short_peptide/t_250/submit.production.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_260/submit.production.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_250/submit.production.slurm diff --git a/simulations/helical_peptide_control/md/t_260/submit_all.slurm b/simulations/helical_peptide_control/md/short_peptide/t_250/submit_all.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_260/submit_all.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_250/submit_all.slurm diff --git a/simulations/helical_peptide_control/md/t_250/system_hmr.top b/simulations/helical_peptide_control/md/short_peptide/t_250/system_hmr.top similarity index 100% rename from simulations/helical_peptide_control/md/t_250/system_hmr.top rename to simulations/helical_peptide_control/md/short_peptide/t_250/system_hmr.top diff --git a/simulations/helical_peptide_control/md/t_260/berendsen_npt.gro b/simulations/helical_peptide_control/md/short_peptide/t_260/berendsen_npt.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_260/berendsen_npt.gro rename to simulations/helical_peptide_control/md/short_peptide/t_260/berendsen_npt.gro diff --git a/simulations/helical_peptide_control/md/t_260/berendsen_npt.mdp b/simulations/helical_peptide_control/md/short_peptide/t_260/berendsen_npt.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_260/berendsen_npt.mdp rename to simulations/helical_peptide_control/md/short_peptide/t_260/berendsen_npt.mdp diff --git a/simulations/helical_peptide_control/md/t_260/berendsen_nvt.gro b/simulations/helical_peptide_control/md/short_peptide/t_260/berendsen_nvt.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_260/berendsen_nvt.gro rename to simulations/helical_peptide_control/md/short_peptide/t_260/berendsen_nvt.gro diff --git a/simulations/helical_peptide_control/md/t_260/berendsen_nvt.mdp b/simulations/helical_peptide_control/md/short_peptide/t_260/berendsen_nvt.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_260/berendsen_nvt.mdp rename to simulations/helical_peptide_control/md/short_peptide/t_260/berendsen_nvt.mdp diff --git a/simulations/helical_peptide_control/md/t_260/em_solvated.gro b/simulations/helical_peptide_control/md/short_peptide/t_260/em_solvated.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_260/em_solvated.gro rename to simulations/helical_peptide_control/md/short_peptide/t_260/em_solvated.gro diff --git a/simulations/helical_peptide_control/md/t_260/npt_new.gro b/simulations/helical_peptide_control/md/short_peptide/t_260/npt_new.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_260/npt_new.gro rename to simulations/helical_peptide_control/md/short_peptide/t_260/npt_new.gro diff --git a/simulations/helical_peptide_control/md/t_260/npt_new.mdp b/simulations/helical_peptide_control/md/short_peptide/t_260/npt_new.mdp similarity index 100% rename from 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b/simulations/helical_peptide_control/md/short_peptide/t_260/submit.continue.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_270/submit.continue.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_260/submit.continue.slurm diff --git a/simulations/helical_peptide_control/md/t_270/submit.production.slurm b/simulations/helical_peptide_control/md/short_peptide/t_260/submit.production.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_270/submit.production.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_260/submit.production.slurm diff --git a/simulations/helical_peptide_control/md/t_270/submit_all.slurm b/simulations/helical_peptide_control/md/short_peptide/t_260/submit_all.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_270/submit_all.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_260/submit_all.slurm diff --git a/simulations/helical_peptide_control/md/t_260/system_hmr.top b/simulations/helical_peptide_control/md/short_peptide/t_260/system_hmr.top similarity index 100% rename from simulations/helical_peptide_control/md/t_260/system_hmr.top rename to simulations/helical_peptide_control/md/short_peptide/t_260/system_hmr.top diff --git a/simulations/helical_peptide_control/md/t_270/berendsen_npt.gro b/simulations/helical_peptide_control/md/short_peptide/t_270/berendsen_npt.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_270/berendsen_npt.gro rename to simulations/helical_peptide_control/md/short_peptide/t_270/berendsen_npt.gro diff --git a/simulations/helical_peptide_control/md/t_270/berendsen_npt.mdp b/simulations/helical_peptide_control/md/short_peptide/t_270/berendsen_npt.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_270/berendsen_npt.mdp rename to simulations/helical_peptide_control/md/short_peptide/t_270/berendsen_npt.mdp diff --git a/simulations/helical_peptide_control/md/t_270/berendsen_nvt.gro b/simulations/helical_peptide_control/md/short_peptide/t_270/berendsen_nvt.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_270/berendsen_nvt.gro rename to simulations/helical_peptide_control/md/short_peptide/t_270/berendsen_nvt.gro diff --git a/simulations/helical_peptide_control/md/t_270/berendsen_nvt.mdp b/simulations/helical_peptide_control/md/short_peptide/t_270/berendsen_nvt.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_270/berendsen_nvt.mdp rename to simulations/helical_peptide_control/md/short_peptide/t_270/berendsen_nvt.mdp diff --git a/simulations/helical_peptide_control/md/t_270/em_solvated.gro b/simulations/helical_peptide_control/md/short_peptide/t_270/em_solvated.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_270/em_solvated.gro rename to simulations/helical_peptide_control/md/short_peptide/t_270/em_solvated.gro diff --git a/simulations/helical_peptide_control/md/t_270/npt_new.gro b/simulations/helical_peptide_control/md/short_peptide/t_270/npt_new.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_270/npt_new.gro rename to simulations/helical_peptide_control/md/short_peptide/t_270/npt_new.gro diff --git a/simulations/helical_peptide_control/md/t_270/npt_new.mdp b/simulations/helical_peptide_control/md/short_peptide/t_270/npt_new.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_270/npt_new.mdp rename to simulations/helical_peptide_control/md/short_peptide/t_270/npt_new.mdp diff --git a/simulations/helical_peptide_control/md/t_280/submit.berendsen_npt.slurm b/simulations/helical_peptide_control/md/short_peptide/t_270/submit.berendsen_npt.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_280/submit.berendsen_npt.slurm rename to 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100% rename from simulations/helical_peptide_control/md/t_330/submit.production.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_320/submit.production.slurm diff --git a/simulations/helical_peptide_control/md/t_330/submit_all.slurm b/simulations/helical_peptide_control/md/short_peptide/t_320/submit_all.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_330/submit_all.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_320/submit_all.slurm diff --git a/simulations/helical_peptide_control/md/t_320/system_hmr.top b/simulations/helical_peptide_control/md/short_peptide/t_320/system_hmr.top similarity index 100% rename from simulations/helical_peptide_control/md/t_320/system_hmr.top rename to simulations/helical_peptide_control/md/short_peptide/t_320/system_hmr.top diff --git a/simulations/helical_peptide_control/md/t_330/berendsen_npt.gro b/simulations/helical_peptide_control/md/short_peptide/t_330/berendsen_npt.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_330/berendsen_npt.gro rename to simulations/helical_peptide_control/md/short_peptide/t_330/berendsen_npt.gro diff --git a/simulations/helical_peptide_control/md/t_330/berendsen_npt.mdp b/simulations/helical_peptide_control/md/short_peptide/t_330/berendsen_npt.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_330/berendsen_npt.mdp rename to simulations/helical_peptide_control/md/short_peptide/t_330/berendsen_npt.mdp diff --git a/simulations/helical_peptide_control/md/t_330/berendsen_nvt.gro b/simulations/helical_peptide_control/md/short_peptide/t_330/berendsen_nvt.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_330/berendsen_nvt.gro rename to simulations/helical_peptide_control/md/short_peptide/t_330/berendsen_nvt.gro diff --git a/simulations/helical_peptide_control/md/t_330/berendsen_nvt.mdp b/simulations/helical_peptide_control/md/short_peptide/t_330/berendsen_nvt.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_330/berendsen_nvt.mdp rename to simulations/helical_peptide_control/md/short_peptide/t_330/berendsen_nvt.mdp diff --git a/simulations/helical_peptide_control/md/t_330/em_solvated.gro b/simulations/helical_peptide_control/md/short_peptide/t_330/em_solvated.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_330/em_solvated.gro rename to simulations/helical_peptide_control/md/short_peptide/t_330/em_solvated.gro diff --git a/simulations/helical_peptide_control/md/t_330/npt_new.gro b/simulations/helical_peptide_control/md/short_peptide/t_330/npt_new.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_330/npt_new.gro rename to simulations/helical_peptide_control/md/short_peptide/t_330/npt_new.gro diff --git a/simulations/helical_peptide_control/md/t_330/npt_new.mdp b/simulations/helical_peptide_control/md/short_peptide/t_330/npt_new.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_330/npt_new.mdp rename to simulations/helical_peptide_control/md/short_peptide/t_330/npt_new.mdp diff --git a/simulations/helical_peptide_control/md/t_340/submit.berendsen_npt.slurm b/simulations/helical_peptide_control/md/short_peptide/t_330/submit.berendsen_npt.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_340/submit.berendsen_npt.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_330/submit.berendsen_npt.slurm diff --git a/simulations/helical_peptide_control/md/t_340/submit.berendsen_nvt.slurm b/simulations/helical_peptide_control/md/short_peptide/t_330/submit.berendsen_nvt.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_340/submit.berendsen_nvt.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_330/submit.berendsen_nvt.slurm diff --git a/simulations/helical_peptide_control/md/t_340/submit.continue.slurm b/simulations/helical_peptide_control/md/short_peptide/t_330/submit.continue.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_340/submit.continue.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_330/submit.continue.slurm diff --git a/simulations/helical_peptide_control/md/t_340/submit.production.slurm b/simulations/helical_peptide_control/md/short_peptide/t_330/submit.production.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_340/submit.production.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_330/submit.production.slurm diff --git a/simulations/helical_peptide_control/md/t_340/submit_all.slurm b/simulations/helical_peptide_control/md/short_peptide/t_330/submit_all.slurm similarity index 100% rename from simulations/helical_peptide_control/md/t_340/submit_all.slurm rename to simulations/helical_peptide_control/md/short_peptide/t_330/submit_all.slurm diff --git a/simulations/helical_peptide_control/md/t_330/system_hmr.top b/simulations/helical_peptide_control/md/short_peptide/t_330/system_hmr.top similarity index 100% rename from simulations/helical_peptide_control/md/t_330/system_hmr.top rename to simulations/helical_peptide_control/md/short_peptide/t_330/system_hmr.top diff --git a/simulations/helical_peptide_control/md/t_340/berendsen_npt.gro b/simulations/helical_peptide_control/md/short_peptide/t_340/berendsen_npt.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_340/berendsen_npt.gro rename to simulations/helical_peptide_control/md/short_peptide/t_340/berendsen_npt.gro diff --git a/simulations/helical_peptide_control/md/t_340/berendsen_npt.mdp b/simulations/helical_peptide_control/md/short_peptide/t_340/berendsen_npt.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_340/berendsen_npt.mdp rename to simulations/helical_peptide_control/md/short_peptide/t_340/berendsen_npt.mdp diff --git a/simulations/helical_peptide_control/md/t_340/berendsen_nvt.gro b/simulations/helical_peptide_control/md/short_peptide/t_340/berendsen_nvt.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_340/berendsen_nvt.gro rename to simulations/helical_peptide_control/md/short_peptide/t_340/berendsen_nvt.gro diff --git a/simulations/helical_peptide_control/md/t_340/berendsen_nvt.mdp b/simulations/helical_peptide_control/md/short_peptide/t_340/berendsen_nvt.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_340/berendsen_nvt.mdp rename to simulations/helical_peptide_control/md/short_peptide/t_340/berendsen_nvt.mdp diff --git a/simulations/helical_peptide_control/md/t_340/em_solvated.gro b/simulations/helical_peptide_control/md/short_peptide/t_340/em_solvated.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_340/em_solvated.gro rename to simulations/helical_peptide_control/md/short_peptide/t_340/em_solvated.gro diff --git a/simulations/helical_peptide_control/md/t_340/npt_new.gro b/simulations/helical_peptide_control/md/short_peptide/t_340/npt_new.gro similarity index 100% rename from simulations/helical_peptide_control/md/t_340/npt_new.gro rename to simulations/helical_peptide_control/md/short_peptide/t_340/npt_new.gro diff --git a/simulations/helical_peptide_control/md/t_340/npt_new.mdp b/simulations/helical_peptide_control/md/short_peptide/t_340/npt_new.mdp similarity index 100% rename from simulations/helical_peptide_control/md/t_340/npt_new.mdp rename to simulations/helical_peptide_control/md/short_peptide/t_340/npt_new.mdp diff --git a/simulations/helical_peptide_control/md/short_peptide/t_340/submit.berendsen_npt.slurm b/simulations/helical_peptide_control/md/short_peptide/t_340/submit.berendsen_npt.slurm new file mode 100644 index 00000000..2180bd62 --- /dev/null +++ b/simulations/helical_peptide_control/md/short_peptide/t_340/submit.berendsen_npt.slurm @@ -0,0 +1,26 @@ +#!/bin/sh -l +#SBATCH -N 1 --ntasks-per-node 8 +#SBATCH -t 3:00:00 +#SBATCH -p amilan +#SBATCH -J 'mop-octamer-equilibration' +#SBATCH --account=ucb368_asc1 +#SBATCH --mail-user=theodore.fobe@colorado.edu +#SBATCH --mail-type=BEGIN +#SBATCH --mail-type=END +#SBATCH --constraint=ib + +module purge +module load anaconda +conda activate plumed_mpi + +module load gcc/11.2.0 +module load openmpi/4.1.1 +export SLURM_EXPORT_ENV=ALL + +source /projects/thfo9888/software/gromacs-2022.5/bin/GMXRC + +# Run grompp on all berendsen_nvt files +mpirun -np 1 gmx_mpi grompp -f berendsen_npt.mdp -c berendsen_nvt.gro -p system_hmr.top -o berendsen_npt -maxwarn 2 + +# Run all berendsen_nvt simulations in parallel +mpirun -np 8 gmx_mpi mdrun -v -deffnm berendsen_npt -ntomp 1 diff --git a/simulations/helical_peptide_control/md/short_peptide/t_340/submit.berendsen_nvt.slurm b/simulations/helical_peptide_control/md/short_peptide/t_340/submit.berendsen_nvt.slurm new file mode 100644 index 00000000..11bdcae0 --- /dev/null +++ b/simulations/helical_peptide_control/md/short_peptide/t_340/submit.berendsen_nvt.slurm @@ -0,0 +1,27 @@ +#!/bin/sh -l +#SBATCH -N 1 --ntasks-per-node 8 +#SBATCH -t 3:00:00 +#SBATCH -p amilan +#SBATCH -J 'mop-octamer-equilibration' +#SBATCH --account=ucb368_asc1 +#SBATCH --mail-user=theodore.fobe@colorado.edu +#SBATCH --mail-type=BEGIN +#SBATCH --mail-type=END +#SBATCH --constraint=ib + +module purge +module load anaconda +conda activate plumed_mpi + +module load gcc/11.2.0 +module load openmpi/4.1.1 +export SLURM_EXPORT_ENV=ALL + +source /projects/thfo9888/software/gromacs-2022.5/bin/GMXRC + +# Run grompp on all berendsen_nvt files +mpirun -np 1 gmx_mpi grompp -f berendsen_nvt.mdp -c em_solvated.gro -p system_hmr.top -o berendsen_nvt -maxwarn 1 + + +# Run all berendsen_nvt simulations in parallel +mpirun -np 8 gmx_mpi mdrun -v -deffnm berendsen_nvt -ntomp 1 diff --git a/simulations/helical_peptide_control/md/short_peptide/t_340/submit.continue.slurm b/simulations/helical_peptide_control/md/short_peptide/t_340/submit.continue.slurm new file mode 100644 index 00000000..da2bcb15 --- /dev/null +++ b/simulations/helical_peptide_control/md/short_peptide/t_340/submit.continue.slurm @@ -0,0 +1,26 @@ +#!/bin/sh -l +#SBATCH -N 1 --ntasks-per-node 8 +#SBATCH -t 12:00:00 +#SBATCH -p amilan +#SBATCH -J 'mop-octamer-equilibration' +#SBATCH --account=ucb368_asc1 +#SBATCH --mail-user=theodore.fobe@colorado.edu +#SBATCH --mail-type=BEGIN +#SBATCH --mail-type=END +#SBATCH --constraint=ib + +module purge +module load anaconda +conda activate plumed_mpi + +module load gcc/11.2.0 +module load openmpi/4.1.1 +export SLURM_EXPORT_ENV=ALL + +source /projects/thfo9888/software/gromacs-2022.5/bin/GMXRC + +# Extend npt_new.tpr file using convert-tpr +mpirun -np 1 gmx_mpi convert-tpr -s npt_new.tpr -extend 100000 -o npt_new.tpr + +# Run all berendsen_nvt simulations in parallel +mpirun -np 8 gmx_mpi mdrun -v -deffnm npt_new -ntomp 1 -cpi npt_new.cpt diff --git a/simulations/helical_peptide_control/md/short_peptide/t_340/submit.production.slurm b/simulations/helical_peptide_control/md/short_peptide/t_340/submit.production.slurm new file mode 100644 index 00000000..d44e70d9 --- /dev/null +++ b/simulations/helical_peptide_control/md/short_peptide/t_340/submit.production.slurm @@ -0,0 +1,26 @@ +#!/bin/sh -l +#SBATCH -N 1 --ntasks-per-node 8 +#SBATCH -t 24:00:00 +#SBATCH -p amilan +#SBATCH -J 'mop-octamer-equilibration' +#SBATCH --account=ucb368_asc1 +#SBATCH --mail-user=theodore.fobe@colorado.edu +#SBATCH --mail-type=BEGIN +#SBATCH --mail-type=END +#SBATCH --constraint=ib + +module purge +module load anaconda +conda activate plumed_mpi + +module load gcc/11.2.0 +module load openmpi/4.1.1 +export SLURM_EXPORT_ENV=ALL + +source /projects/thfo9888/software/gromacs-2022.5/bin/GMXRC + +# Run grompp on all berendsen_nvt files +mpirun -np 1 gmx_mpi grompp -f npt_new.mdp -c berendsen_npt.gro -p system_hmr.top -o npt_new -maxwarn 1 + +# Run all berendsen_nvt simulations in parallel +mpirun -np 8 gmx_mpi mdrun -v -deffnm npt_new -ntomp 1 diff --git a/simulations/helical_peptide_control/md/short_peptide/t_340/submit_all.slurm b/simulations/helical_peptide_control/md/short_peptide/t_340/submit_all.slurm new file mode 100644 index 00000000..902004fd --- /dev/null +++ b/simulations/helical_peptide_control/md/short_peptide/t_340/submit_all.slurm @@ -0,0 +1,17 @@ +#!/bin/sh -l + +# NVT Equilibration +SLURM_OUT=$(sbatch submit.berendsen_nvt.slurm) +JOB_ID=$(echo "$SLURM_OUT" | awk '{print $NF}') + +# NPT Equilibration +SLURM_OUT=$(sbatch --dependency=afterok:$JOB_ID submit.berendsen_npt.slurm) +JOB_ID=$(echo "$SLURM_OUT" | awk '{print $NF}') + +# Production Run +SLURM_OUT=$(sbatch --dependency=afterok:$JOB_ID submit.production.slurm) +JOB_ID=$(echo "$SLURM_OUT" | awk '{print $NF}') +# SLURM_OUT=$(sbatch --dependency=afterok:$JOB_ID submit_remd.continue.slurm) +# JOB_ID=$(echo "$SLURM_OUT" | awk '{print $NF}') +# SLURM_OUT=$(sbatch --dependency=afterok:$JOB_ID submit_remd.continue.slurm) + diff --git a/simulations/helical_peptide_control/md/t_340/system_hmr.top b/simulations/helical_peptide_control/md/short_peptide/t_340/system_hmr.top similarity index 100% rename from simulations/helical_peptide_control/md/t_340/system_hmr.top rename to simulations/helical_peptide_control/md/short_peptide/t_340/system_hmr.top diff --git a/simulations/helical_peptide_control/md/temperature_analysis.py b/simulations/helical_peptide_control/md/short_peptide/temperature_analysis.py similarity index 100% rename from simulations/helical_peptide_control/md/temperature_analysis.py rename to simulations/helical_peptide_control/md/short_peptide/temperature_analysis.py diff --git a/simulations/helical_peptide_control/remd/helix_alanine/build_system/system.top b/simulations/helical_peptide_control/remd/helix_alanine/build_system/system.top index e374d86c..4488b4cd 100644 --- a/simulations/helical_peptide_control/remd/helix_alanine/build_system/system.top +++ b/simulations/helical_peptide_control/remd/helix_alanine/build_system/system.top @@ -34,7 +34,7 @@ HW 1 1.008000 0.00000000 A 0.000000 0.00000 K 19 39.10 0.0000 A 0.30379646 0.81036925 F 9 19.00 0.0000 A 0.41034794 0.01407498 -; Include peptide topollogy +; Include peptide topology #include "peptide_alanine.itp" [ moleculetype ]