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asford/T0797_BAKER_ROSETTA_SERVER.pdb

Last active May 12, 2016 03:22
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Decoy PDB debugging.
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input_file_analysis.ipynb
{
"cells": [
{
"cell_type": "code",
"execution_count": 1,
"metadata": {
"collapsed": true
},
"outputs": [],
"source": [
"import Bio.PDB.PDBParser\n",
"parser = Bio.PDB.PDBParser(QUIET=True, PERMISSIVE=True)\n",
"from Bio.pairwise2 import format_alignment, align\n",
"from Bio.SeqUtils import seq1"
]
},
{
"cell_type": "code",
"execution_count": 2,
"metadata": {
"collapsed": false,
"scrolled": true
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 0.00 N \r\n",
"ATOM 2 CA LYS A 1 1.458 0.000 0.000 1.00 0.00 C \r\n",
"ATOM 3 C LYS A 1 2.009 1.420 0.000 1.00 0.00 C \r\n",
"ATOM 4 O LYS A 1 2.500 1.906 1.019 1.00 0.00 O \r\n",
"ATOM 5 CB LYS A 1 1.994 -0.772 -1.207 1.00 0.00 C \r\n",
"ATOM 6 CG LYS A 1 3.513 -0.857 -1.275 1.00 0.00 C \r\n",
"ATOM 7 CD LYS A 1 3.966 -1.701 -2.457 1.00 0.00 C \r\n",
"ATOM 8 CE LYS A 1 5.484 -1.768 -2.541 1.00 0.00 C \r\n",
"ATOM 9 NZ LYS A 1 5.942 -2.591 -3.693 1.00 0.00 N \r\n",
"ATOM 10 1H LYS A 1 -0.334 -0.943 -0.000 1.00 0.00 H \r\n"
]
}
],
"source": [
"!head T0797_abinitio_candidate.pdb"
]
},
{
"cell_type": "code",
"execution_count": 3,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"ATOM 735 NE2 GLN A 44 -29.587 38.074 -11.924 1.00 0.00 N \r\n",
"ATOM 736 H GLN A 44 -27.667 36.697 -8.300 1.00 0.00 H \r\n",
"ATOM 737 HA GLN A 44 -29.517 35.316 -10.167 1.00 0.00 H \r\n",
"ATOM 738 1HB GLN A 44 -26.477 35.490 -10.201 1.00 0.00 H \r\n",
"ATOM 739 2HB GLN A 44 -27.482 34.769 -11.450 1.00 0.00 H \r\n",
"ATOM 740 1HG GLN A 44 -27.531 37.683 -10.639 1.00 0.00 H \r\n",
"ATOM 741 2HG GLN A 44 -26.691 37.001 -12.060 1.00 0.00 H \r\n",
"ATOM 742 1HE2 GLN A 44 -30.438 38.219 -12.430 1.00 0.00 H \r\n",
"ATOM 743 2HE2 GLN A 44 -29.319 38.715 -11.204 1.00 0.00 H \r\n",
"TER \r\n"
]
}
],
"source": [
"!tail T0797_abinitio_candidate.pdb"
]
},
{
"cell_type": "code",
"execution_count": 4,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"REMARK T0797\r\n",
"REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.657 \r\n",
"REMARK 3 FREE R VALUE : 0.2510 \r\n",
"CRYST1 136.007 136.007 76.997 90.00 90.00 90.00 P 43 21 2 \r\n",
"ATOM 2591 O ARG 8 -63.928 -17.336 -21.123 1.00 94.68 O\r\n",
"ATOM 2592 N ARG 8 -64.504 -20.511 -21.773 1.00105.38 N\r\n",
"ATOM 2593 CA ARG 8 -65.174 -19.226 -21.929 1.00103.64 C\r\n",
"ATOM 2594 C ARG 8 -64.716 -18.244 -20.857 1.00107.20 C\r\n",
"ATOM 2595 CB ARG 8 -66.693 -19.404 -21.864 1.00103.25 C\r\n",
"ATOM 2596 O GLU 9 -62.935 -17.435 -17.100 1.00116.97 O\r\n"
]
}
],
"source": [
"!head T0797_native.pdb"
]
},
{
"cell_type": "code",
"execution_count": 5,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"ATOM 2854 CG LEU 43 -16.385 -5.277 -5.912 1.00125.42 C\r\n",
"ATOM 2855 CD1 LEU 43 -16.535 -6.696 -6.445 1.00127.00 C\r\n",
"ATOM 2856 CD2 LEU 43 -17.419 -5.002 -4.829 1.00118.42 C\r\n",
"ATOM 2857 O GLN 44 -17.609 -2.229 -11.635 1.00106.92 O\r\n",
"ATOM 2858 N GLN 44 -16.020 -2.584 -9.170 1.00126.70 N\r\n",
"ATOM 2859 CA GLN 44 -15.561 -1.962 -10.406 1.00124.29 C\r\n",
"ATOM 2860 C GLN 44 -16.735 -1.456 -11.240 1.00117.98 C\r\n",
"ATOM 2861 CB GLN 44 -14.720 -2.944 -11.224 1.00127.05 C\r\n",
"TER\r\n",
"END\r\n"
]
}
],
"source": [
"!tail T0797_native.pdb"
]
},
{
"cell_type": "code",
"execution_count": 6,
"metadata": {
"collapsed": false
},
"outputs": [
{
"data": {
"text/plain": [
"44"
]
},
"execution_count": 6,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"decoy = parser.get_structure(\"decoy\", \"T0797_abinitio_candidate.pdb\")\n",
"len(list(decoy.get_residues()))"
]
},
{
"cell_type": "code",
"execution_count": 7,
"metadata": {
"collapsed": false,
"scrolled": true
},
"outputs": [
{
"data": {
"text/plain": [
"37"
]
},
"execution_count": 7,
"metadata": {},
"output_type": "execute_result"
}
],
"source": [
"native = parser.get_structure(\"native\", \"T0797_native.pdb\")\n",
"len(list(native.get_residues()))"
]
},
{
"cell_type": "code",
"execution_count": 8,
"metadata": {
"collapsed": false
},
"outputs": [
{
"name": "stdout",
"output_type": "stream",
"text": [
"-------REYHLKELREQLAKQTVAIAELTEELQSKCIQLNKLQ\n",
"||||||||||||||||||||||||||||||||||||||||||||\n",
"KDAELQEREYHLKELREQLAKQTVAIAELTEELQSKCIQLNKLQ\n",
" Score=37\n",
"\n"
]
}
],
"source": [
"print format_alignment(*(align.globalxx( \n",
" \"\".join([seq1(r.resname) for r in native.get_residues()]),\n",
" \"\".join([seq1(r.resname) for r in decoy.get_residues()])\n",
")[0]))"
]
}
],
"metadata": {
"kernelspec": {
"display_name": "Python 2",
"language": "python",
"name": "python2"
},
"language_info": {
"codemirror_mode": {
"name": "ipython",
"version": 2
},
"file_extension": ".py",
"mimetype": "text/x-python",
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython2",
"version": "2.7.11"
}
},
"nbformat": 4,
"nbformat_minor": 0
}
Raw
T0797_abinitio_candidate.pdb
ATOM 1 N LYS A 1 0.000 0.000 0.000 1.00 0.00 N
ATOM 2 CA LYS A 1 1.458 0.000 0.000 1.00 0.00 C
ATOM 3 C LYS A 1 2.009 1.420 0.000 1.00 0.00 C
ATOM 4 O LYS A 1 2.500 1.906 1.019 1.00 0.00 O
ATOM 5 CB LYS A 1 1.994 -0.772 -1.207 1.00 0.00 C
ATOM 6 CG LYS A 1 3.513 -0.857 -1.275 1.00 0.00 C
ATOM 7 CD LYS A 1 3.966 -1.701 -2.457 1.00 0.00 C
ATOM 8 CE LYS A 1 5.484 -1.768 -2.541 1.00 0.00 C
ATOM 9 NZ LYS A 1 5.942 -2.591 -3.693 1.00 0.00 N
ATOM 10 1H LYS A 1 -0.334 -0.943 -0.000 1.00 0.00 H
ATOM 11 2H LYS A 1 -0.334 0.471 0.816 1.00 0.00 H
ATOM 12 3H LYS A 1 -0.334 0.471 -0.816 1.00 0.00 H
ATOM 13 HA LYS A 1 1.804 -0.492 0.910 1.00 0.00 H
ATOM 14 1HB LYS A 1 1.602 -1.789 -1.192 1.00 0.00 H
ATOM 15 2HB LYS A 1 1.644 -0.300 -2.125 1.00 0.00 H
ATOM 16 1HG LYS A 1 3.930 0.146 -1.374 1.00 0.00 H
ATOM 17 2HG LYS A 1 3.894 -1.301 -0.356 1.00 0.00 H
ATOM 18 1HD LYS A 1 3.571 -2.713 -2.356 1.00 0.00 H
ATOM 19 2HD LYS A 1 3.580 -1.270 -3.381 1.00 0.00 H
ATOM 20 1HE LYS A 1 5.887 -0.762 -2.645 1.00 0.00 H
ATOM 21 2HE LYS A 1 5.880 -2.201 -1.622 1.00 0.00 H
ATOM 22 1HZ LYS A 1 6.952 -2.611 -3.713 1.00 0.00 H
ATOM 23 2HZ LYS A 1 5.589 -3.533 -3.597 1.00 0.00 H
ATOM 24 3HZ LYS A 1 5.597 -2.189 -4.553 1.00 0.00 H
ATOM 25 N ASP A 2 1.924 2.082 -1.149 1.00 0.00 N
ATOM 26 CA ASP A 2 2.394 3.456 -1.278 1.00 0.00 C
ATOM 27 C ASP A 2 1.854 4.331 -0.153 1.00 0.00 C
ATOM 28 O ASP A 2 0.675 4.682 -0.139 1.00 0.00 O
ATOM 29 CB ASP A 2 1.980 4.041 -2.630 1.00 0.00 C
ATOM 30 CG ASP A 2 2.546 5.433 -2.873 1.00 0.00 C
ATOM 31 OD1 ASP A 2 2.763 6.140 -1.917 1.00 0.00 O
ATOM 32 OD2 ASP A 2 2.756 5.777 -4.012 1.00 0.00 O
ATOM 33 H ASP A 2 1.524 1.622 -1.954 1.00 0.00 H
ATOM 34 HA ASP A 2 3.483 3.457 -1.217 1.00 0.00 H
ATOM 35 1HB ASP A 2 2.319 3.382 -3.430 1.00 0.00 H
ATOM 36 2HB ASP A 2 0.892 4.092 -2.687 1.00 0.00 H
ATOM 37 N ALA A 3 2.724 4.679 0.788 1.00 0.00 N
ATOM 38 CA ALA A 3 2.315 5.427 1.971 1.00 0.00 C
ATOM 39 C ALA A 3 1.795 6.809 1.596 1.00 0.00 C
ATOM 40 O ALA A 3 0.788 7.271 2.133 1.00 0.00 O
ATOM 41 CB ALA A 3 3.474 5.546 2.950 1.00 0.00 C
ATOM 42 H ALA A 3 3.695 4.419 0.682 1.00 0.00 H
ATOM 43 HA ALA A 3 1.502 4.883 2.451 1.00 0.00 H
ATOM 44 1HB ALA A 3 3.152 6.107 3.828 1.00 0.00 H
ATOM 45 2HB ALA A 3 3.797 4.550 3.254 1.00 0.00 H
ATOM 46 3HB ALA A 3 4.302 6.066 2.471 1.00 0.00 H
ATOM 47 N GLU A 4 2.487 7.465 0.671 1.00 0.00 N
ATOM 48 CA GLU A 4 2.088 8.790 0.212 1.00 0.00 C
ATOM 49 C GLU A 4 0.678 8.772 -0.365 1.00 0.00 C
ATOM 50 O GLU A 4 -0.153 9.615 -0.026 1.00 0.00 O
ATOM 51 CB GLU A 4 3.072 9.310 -0.838 1.00 0.00 C
ATOM 52 CG GLU A 4 2.728 10.683 -1.397 1.00 0.00 C
ATOM 53 CD GLU A 4 3.706 11.153 -2.438 1.00 0.00 C
ATOM 54 OE1 GLU A 4 4.797 10.637 -2.477 1.00 0.00 O
ATOM 55 OE2 GLU A 4 3.361 12.029 -3.196 1.00 0.00 O
ATOM 56 H GLU A 4 3.311 7.035 0.276 1.00 0.00 H
ATOM 57 HA GLU A 4 2.097 9.469 1.065 1.00 0.00 H
ATOM 58 1HB GLU A 4 4.071 9.367 -0.404 1.00 0.00 H
ATOM 59 2HB GLU A 4 3.117 8.611 -1.673 1.00 0.00 H
ATOM 60 1HG GLU A 4 1.734 10.644 -1.841 1.00 0.00 H
ATOM 61 2HG GLU A 4 2.703 11.401 -0.579 1.00 0.00 H
ATOM 62 N LEU A 5 0.414 7.807 -1.239 1.00 0.00 N
ATOM 63 CA LEU A 5 -0.906 7.655 -1.837 1.00 0.00 C
ATOM 64 C LEU A 5 -1.977 7.470 -0.770 1.00 0.00 C
ATOM 65 O LEU A 5 -3.052 8.066 -0.845 1.00 0.00 O
ATOM 66 CB LEU A 5 -0.919 6.458 -2.796 1.00 0.00 C
ATOM 67 CG LEU A 5 -2.255 6.183 -3.499 1.00 0.00 C
ATOM 68 CD1 LEU A 5 -2.645 7.392 -4.339 1.00 0.00 C
ATOM 69 CD2 LEU A 5 -2.128 4.936 -4.362 1.00 0.00 C
ATOM 70 H LEU A 5 1.148 7.161 -1.495 1.00 0.00 H
ATOM 71 HA LEU A 5 -1.136 8.558 -2.401 1.00 0.00 H
ATOM 72 1HB LEU A 5 -0.167 6.622 -3.566 1.00 0.00 H
ATOM 73 2HB LEU A 5 -0.648 5.562 -2.238 1.00 0.00 H
ATOM 74 HG LEU A 5 -3.035 6.030 -2.752 1.00 0.00 H
ATOM 75 1HD1 LEU A 5 -3.595 7.197 -4.838 1.00 0.00 H
ATOM 76 2HD1 LEU A 5 -2.748 8.265 -3.694 1.00 0.00 H
ATOM 77 3HD1 LEU A 5 -1.875 7.580 -5.085 1.00 0.00 H
ATOM 78 1HD2 LEU A 5 -3.077 4.740 -4.861 1.00 0.00 H
ATOM 79 2HD2 LEU A 5 -1.349 5.089 -5.109 1.00 0.00 H
ATOM 80 3HD2 LEU A 5 -1.866 4.085 -3.734 1.00 0.00 H
ATOM 81 N GLN A 6 -1.677 6.641 0.224 1.00 0.00 N
ATOM 82 CA GLN A 6 -2.607 6.389 1.319 1.00 0.00 C
ATOM 83 C GLN A 6 -2.897 7.664 2.100 1.00 0.00 C
ATOM 84 O GLN A 6 -4.030 7.903 2.518 1.00 0.00 O
ATOM 85 CB GLN A 6 -2.051 5.315 2.258 1.00 0.00 C
ATOM 86 CG GLN A 6 -3.018 4.878 3.345 1.00 0.00 C
ATOM 87 CD GLN A 6 -4.240 4.175 2.784 1.00 0.00 C
ATOM 88 OE1 GLN A 6 -4.125 3.186 2.056 1.00 0.00 O
ATOM 89 NE2 GLN A 6 -5.420 4.684 3.121 1.00 0.00 N
ATOM 90 H GLN A 6 -0.782 6.173 0.222 1.00 0.00 H
ATOM 91 HA GLN A 6 -3.547 6.031 0.898 1.00 0.00 H
ATOM 92 1HB GLN A 6 -1.774 4.434 1.680 1.00 0.00 H
ATOM 93 2HB GLN A 6 -1.148 5.687 2.741 1.00 0.00 H
ATOM 94 1HG GLN A 6 -2.506 4.189 4.017 1.00 0.00 H
ATOM 95 2HG GLN A 6 -3.351 5.757 3.896 1.00 0.00 H
ATOM 96 1HE2 GLN A 6 -6.262 4.263 2.781 1.00 0.00 H
ATOM 97 2HE2 GLN A 6 -5.468 5.488 3.714 1.00 0.00 H
ATOM 98 N GLU A 7 -1.867 8.480 2.293 1.00 0.00 N
ATOM 99 CA GLU A 7 -2.023 9.763 2.968 1.00 0.00 C
ATOM 100 C GLU A 7 -2.860 10.726 2.135 1.00 0.00 C
ATOM 101 O GLU A 7 -3.673 11.479 2.670 1.00 0.00 O
ATOM 102 CB GLU A 7 -0.654 10.383 3.259 1.00 0.00 C
ATOM 103 CG GLU A 7 0.146 9.663 4.335 1.00 0.00 C
ATOM 104 CD GLU A 7 1.518 10.246 4.533 1.00 0.00 C
ATOM 105 OE1 GLU A 7 1.908 11.077 3.748 1.00 0.00 O
ATOM 106 OE2 GLU A 7 2.176 9.861 5.470 1.00 0.00 O
ATOM 107 H GLU A 7 -0.953 8.205 1.965 1.00 0.00 H
ATOM 108 HA GLU A 7 -2.539 9.597 3.914 1.00 0.00 H
ATOM 109 1HB GLU A 7 -0.057 10.390 2.346 1.00 0.00 H
ATOM 110 2HB GLU A 7 -0.783 11.418 3.574 1.00 0.00 H
ATOM 111 1HG GLU A 7 -0.399 9.718 5.276 1.00 0.00 H
ATOM 112 2HG GLU A 7 0.239 8.613 4.062 1.00 0.00 H
ATOM 113 N ARG A 8 -2.655 10.696 0.822 1.00 0.00 N
ATOM 114 CA ARG A 8 -3.438 11.517 -0.094 1.00 0.00 C
ATOM 115 C ARG A 8 -4.904 11.106 -0.086 1.00 0.00 C
ATOM 116 O ARG A 8 -5.797 11.953 -0.126 1.00 0.00 O
ATOM 117 CB ARG A 8 -2.891 11.409 -1.509 1.00 0.00 C
ATOM 118 CG ARG A 8 -1.552 12.094 -1.732 1.00 0.00 C
ATOM 119 CD ARG A 8 -1.078 11.931 -3.130 1.00 0.00 C
ATOM 120 NE ARG A 8 0.243 12.508 -3.326 1.00 0.00 N
ATOM 121 CZ ARG A 8 0.478 13.807 -3.593 1.00 0.00 C
ATOM 122 NH1 ARG A 8 -0.526 14.650 -3.693 1.00 0.00 N
ATOM 123 NH2 ARG A 8 1.718 14.234 -3.754 1.00 0.00 N
ATOM 124 H ARG A 8 -1.939 10.089 0.450 1.00 0.00 H
ATOM 125 HA ARG A 8 -3.367 12.557 0.228 1.00 0.00 H
ATOM 126 1HB ARG A 8 -2.772 10.359 -1.774 1.00 0.00 H
ATOM 127 2HB ARG A 8 -3.605 11.844 -2.209 1.00 0.00 H
ATOM 128 1HG ARG A 8 -1.650 13.160 -1.526 1.00 0.00 H
ATOM 129 2HG ARG A 8 -0.806 11.662 -1.064 1.00 0.00 H
ATOM 130 1HD ARG A 8 -1.026 10.870 -3.375 1.00 0.00 H
ATOM 131 2HD ARG A 8 -1.770 12.427 -3.810 1.00 0.00 H
ATOM 132 HE ARG A 8 1.041 11.890 -3.256 1.00 0.00 H
ATOM 133 1HH1 ARG A 8 -1.474 14.323 -3.569 1.00 0.00 H
ATOM 134 2HH1 ARG A 8 -0.349 15.624 -3.893 1.00 0.00 H
ATOM 135 1HH2 ARG A 8 2.490 13.586 -3.677 1.00 0.00 H
ATOM 136 2HH2 ARG A 8 1.895 15.207 -3.954 1.00 0.00 H
ATOM 137 N GLU A 9 -5.148 9.801 -0.034 1.00 0.00 N
ATOM 138 CA GLU A 9 -6.502 9.279 0.099 1.00 0.00 C
ATOM 139 C GLU A 9 -7.180 9.817 1.353 1.00 0.00 C
ATOM 140 O GLU A 9 -8.299 10.326 1.295 1.00 0.00 O
ATOM 141 CB GLU A 9 -6.483 7.749 0.135 1.00 0.00 C
ATOM 142 CG GLU A 9 -7.854 7.107 0.299 1.00 0.00 C
ATOM 143 CD GLU A 9 -7.792 5.606 0.364 1.00 0.00 C
ATOM 144 OE1 GLU A 9 -6.742 5.062 0.121 1.00 0.00 O
ATOM 145 OE2 GLU A 9 -8.798 5.003 0.658 1.00 0.00 O
ATOM 146 H GLU A 9 -4.374 9.154 -0.087 1.00 0.00 H
ATOM 147 HA GLU A 9 -7.084 9.601 -0.766 1.00 0.00 H
ATOM 148 1HB GLU A 9 -6.045 7.369 -0.788 1.00 0.00 H
ATOM 149 2HB GLU A 9 -5.855 7.412 0.959 1.00 0.00 H
ATOM 150 1HG GLU A 9 -8.310 7.480 1.215 1.00 0.00 H
ATOM 151 2HG GLU A 9 -8.485 7.404 -0.536 1.00 0.00 H
ATOM 152 N TYR A 10 -6.495 9.702 2.485 1.00 0.00 N
ATOM 153 CA TYR A 10 -7.000 10.235 3.745 1.00 0.00 C
ATOM 154 C TYR A 10 -7.317 11.720 3.626 1.00 0.00 C
ATOM 155 O TYR A 10 -8.391 12.170 4.025 1.00 0.00 O
ATOM 156 CB TYR A 10 -5.992 9.995 4.871 1.00 0.00 C
ATOM 157 CG TYR A 10 -6.391 10.618 6.190 1.00 0.00 C
ATOM 158 CD1 TYR A 10 -7.375 10.025 6.968 1.00 0.00 C
ATOM 159 CD2 TYR A 10 -5.774 11.782 6.623 1.00 0.00 C
ATOM 160 CE1 TYR A 10 -7.740 10.594 8.173 1.00 0.00 C
ATOM 161 CE2 TYR A 10 -6.138 12.351 7.827 1.00 0.00 C
ATOM 162 CZ TYR A 10 -7.117 11.761 8.601 1.00 0.00 C
ATOM 163 OH TYR A 10 -7.480 12.327 9.801 1.00 0.00 O
ATOM 164 H TYR A 10 -5.600 9.232 2.474 1.00 0.00 H
ATOM 165 HA TYR A 10 -7.928 9.718 3.991 1.00 0.00 H
ATOM 166 1HB TYR A 10 -5.867 8.922 5.025 1.00 0.00 H
ATOM 167 2HB TYR A 10 -5.023 10.400 4.583 1.00 0.00 H
ATOM 168 HD1 TYR A 10 -7.861 9.110 6.628 1.00 0.00 H
ATOM 169 HD2 TYR A 10 -5.001 12.248 6.011 1.00 0.00 H
ATOM 170 HE1 TYR A 10 -8.513 10.128 8.783 1.00 0.00 H
ATOM 171 HE2 TYR A 10 -5.653 13.266 8.167 1.00 0.00 H
ATOM 172 HH TYR A 10 -8.326 11.969 10.080 1.00 0.00 H
ATOM 173 N HIS A 11 -6.374 12.479 3.076 1.00 0.00 N
ATOM 174 CA HIS A 11 -6.560 13.912 2.885 1.00 0.00 C
ATOM 175 C HIS A 11 -7.836 14.203 2.106 1.00 0.00 C
ATOM 176 O HIS A 11 -8.639 15.046 2.505 1.00 0.00 O
ATOM 177 CB HIS A 11 -5.358 14.520 2.153 1.00 0.00 C
ATOM 178 CG HIS A 11 -5.533 15.966 1.808 1.00 0.00 C
ATOM 179 ND1 HIS A 11 -5.436 16.972 2.747 1.00 0.00 N
ATOM 180 CD2 HIS A 11 -5.800 16.576 0.630 1.00 0.00 C
ATOM 181 CE1 HIS A 11 -5.634 18.139 2.159 1.00 0.00 C
ATOM 182 NE2 HIS A 11 -5.858 17.926 0.876 1.00 0.00 N
ATOM 183 H HIS A 11 -5.507 12.051 2.784 1.00 0.00 H
ATOM 184 HA HIS A 11 -6.647 14.400 3.855 1.00 0.00 H
ATOM 185 1HB HIS A 11 -4.467 14.422 2.774 1.00 0.00 H
ATOM 186 2HB HIS A 11 -5.177 13.969 1.231 1.00 0.00 H
ATOM 187 HD1 HIS A 11 -5.173 16.862 3.706 1.00 0.00 H
ATOM 188 HD2 HIS A 11 -5.960 16.198 -0.380 1.00 0.00 H
ATOM 189 HE1 HIS A 11 -5.597 19.064 2.735 1.00 0.00 H
ATOM 190 N LEU A 12 -8.017 13.501 0.993 1.00 0.00 N
ATOM 191 CA LEU A 12 -9.156 13.738 0.114 1.00 0.00 C
ATOM 192 C LEU A 12 -10.467 13.384 0.803 1.00 0.00 C
ATOM 193 O LEU A 12 -11.485 14.046 0.601 1.00 0.00 O
ATOM 194 CB LEU A 12 -9.011 12.918 -1.175 1.00 0.00 C
ATOM 195 CG LEU A 12 -7.896 13.368 -2.128 1.00 0.00 C
ATOM 196 CD1 LEU A 12 -7.763 12.363 -3.264 1.00 0.00 C
ATOM 197 CD2 LEU A 12 -8.214 14.757 -2.661 1.00 0.00 C
ATOM 198 H LEU A 12 -7.348 12.784 0.749 1.00 0.00 H
ATOM 199 HA LEU A 12 -9.179 14.796 -0.145 1.00 0.00 H
ATOM 200 1HB LEU A 12 -8.818 11.881 -0.906 1.00 0.00 H
ATOM 201 2HB LEU A 12 -9.953 12.961 -1.722 1.00 0.00 H
ATOM 202 HG LEU A 12 -6.947 13.393 -1.592 1.00 0.00 H
ATOM 203 1HD1 LEU A 12 -6.971 12.683 -3.941 1.00 0.00 H
ATOM 204 2HD1 LEU A 12 -7.516 11.383 -2.856 1.00 0.00 H
ATOM 205 3HD1 LEU A 12 -8.704 12.304 -3.809 1.00 0.00 H
ATOM 206 1HD2 LEU A 12 -7.421 15.078 -3.337 1.00 0.00 H
ATOM 207 2HD2 LEU A 12 -9.162 14.733 -3.198 1.00 0.00 H
ATOM 208 3HD2 LEU A 12 -8.286 15.458 -1.829 1.00 0.00 H
ATOM 209 N LYS A 13 -10.436 12.335 1.619 1.00 0.00 N
ATOM 210 CA LYS A 13 -11.605 11.932 2.392 1.00 0.00 C
ATOM 211 C LYS A 13 -11.972 12.988 3.426 1.00 0.00 C
ATOM 212 O LYS A 13 -13.148 13.295 3.623 1.00 0.00 O
ATOM 213 CB LYS A 13 -11.355 10.588 3.079 1.00 0.00 C
ATOM 214 CG LYS A 13 -11.356 9.391 2.138 1.00 0.00 C
ATOM 215 CD LYS A 13 -11.068 8.099 2.887 1.00 0.00 C
ATOM 216 CE LYS A 13 -11.188 6.888 1.973 1.00 0.00 C
ATOM 217 NZ LYS A 13 -10.824 5.625 2.670 1.00 0.00 N
ATOM 218 H LYS A 13 -9.582 11.804 1.705 1.00 0.00 H
ATOM 219 HA LYS A 13 -12.450 11.823 1.712 1.00 0.00 H
ATOM 220 1HB LYS A 13 -10.390 10.613 3.587 1.00 0.00 H
ATOM 221 2HB LYS A 13 -12.120 10.419 3.837 1.00 0.00 H
ATOM 222 1HG LYS A 13 -12.330 9.310 1.653 1.00 0.00 H
ATOM 223 2HG LYS A 13 -10.598 9.532 1.369 1.00 0.00 H
ATOM 224 1HD LYS A 13 -10.058 8.134 3.299 1.00 0.00 H
ATOM 225 2HD LYS A 13 -11.773 7.990 3.711 1.00 0.00 H
ATOM 226 1HE LYS A 13 -12.212 6.807 1.611 1.00 0.00 H
ATOM 227 2HE LYS A 13 -10.531 7.016 1.112 1.00 0.00 H
ATOM 228 1HZ LYS A 13 -10.916 4.849 2.031 1.00 0.00 H
ATOM 229 2HZ LYS A 13 -9.868 5.683 2.994 1.00 0.00 H
ATOM 230 3HZ LYS A 13 -11.438 5.486 3.459 1.00 0.00 H
ATOM 231 N GLU A 14 -10.960 13.541 4.085 1.00 0.00 N
ATOM 232 CA GLU A 14 -11.169 14.610 5.055 1.00 0.00 C
ATOM 233 C GLU A 14 -11.617 15.895 4.370 1.00 0.00 C
ATOM 234 O GLU A 14 -12.430 16.646 4.908 1.00 0.00 O
ATOM 235 CB GLU A 14 -9.888 14.865 5.853 1.00 0.00 C
ATOM 236 CG GLU A 14 -9.508 13.742 6.807 1.00 0.00 C
ATOM 237 CD GLU A 14 -10.532 13.520 7.886 1.00 0.00 C
ATOM 238 OE1 GLU A 14 -10.980 14.483 8.461 1.00 0.00 O
ATOM 239 OE2 GLU A 14 -10.866 12.386 8.136 1.00 0.00 O
ATOM 240 H GLU A 14 -10.021 13.213 3.910 1.00 0.00 H
ATOM 241 HA GLU A 14 -11.955 14.302 5.745 1.00 0.00 H
ATOM 242 1HB GLU A 14 -9.056 15.016 5.166 1.00 0.00 H
ATOM 243 2HB GLU A 14 -10.000 15.778 6.438 1.00 0.00 H
ATOM 244 1HG GLU A 14 -9.391 12.820 6.239 1.00 0.00 H
ATOM 245 2HG GLU A 14 -8.549 13.978 7.266 1.00 0.00 H
ATOM 246 N LEU A 15 -11.080 16.143 3.180 1.00 0.00 N
ATOM 247 CA LEU A 15 -11.504 17.279 2.370 1.00 0.00 C
ATOM 248 C LEU A 15 -12.981 17.178 2.010 1.00 0.00 C
ATOM 249 O LEU A 15 -13.734 18.139 2.164 1.00 0.00 O
ATOM 250 CB LEU A 15 -10.664 17.360 1.090 1.00 0.00 C
ATOM 251 CG LEU A 15 -11.058 18.468 0.104 1.00 0.00 C
ATOM 252 CD1 LEU A 15 -10.914 19.824 0.781 1.00 0.00 C
ATOM 253 CD2 LEU A 15 -10.182 18.379 -1.136 1.00 0.00 C
ATOM 254 H LEU A 15 -10.360 15.529 2.828 1.00 0.00 H
ATOM 255 HA LEU A 15 -11.353 18.190 2.947 1.00 0.00 H
ATOM 256 1HB LEU A 15 -9.623 17.518 1.367 1.00 0.00 H
ATOM 257 2HB LEU A 15 -10.738 16.408 0.565 1.00 0.00 H
ATOM 258 HG LEU A 15 -12.104 18.347 -0.180 1.00 0.00 H
ATOM 259 1HD1 LEU A 15 -11.194 20.611 0.081 1.00 0.00 H
ATOM 260 2HD1 LEU A 15 -11.566 19.867 1.653 1.00 0.00 H
ATOM 261 3HD1 LEU A 15 -9.880 19.967 1.092 1.00 0.00 H
ATOM 262 1HD2 LEU A 15 -10.463 19.166 -1.837 1.00 0.00 H
ATOM 263 2HD2 LEU A 15 -9.136 18.502 -0.853 1.00 0.00 H
ATOM 264 3HD2 LEU A 15 -10.318 17.407 -1.609 1.00 0.00 H
ATOM 265 N ARG A 16 -13.389 16.008 1.531 1.00 0.00 N
ATOM 266 CA ARG A 16 -14.788 15.760 1.204 1.00 0.00 C
ATOM 267 C ARG A 16 -15.698 16.110 2.375 1.00 0.00 C
ATOM 268 O ARG A 16 -16.703 16.801 2.208 1.00 0.00 O
ATOM 269 CB ARG A 16 -14.998 14.303 0.820 1.00 0.00 C
ATOM 270 CG ARG A 16 -16.417 13.949 0.402 1.00 0.00 C
ATOM 271 CD ARG A 16 -16.637 12.480 0.392 1.00 0.00 C
ATOM 272 NE ARG A 16 -16.680 11.930 1.737 1.00 0.00 N
ATOM 273 CZ ARG A 16 -16.470 10.634 2.040 1.00 0.00 C
ATOM 274 NH1 ARG A 16 -16.204 9.770 1.086 1.00 0.00 N
ATOM 275 NH2 ARG A 16 -16.531 10.231 3.298 1.00 0.00 N
ATOM 276 H ARG A 16 -12.713 15.271 1.390 1.00 0.00 H
ATOM 277 HA ARG A 16 -15.061 16.386 0.354 1.00 0.00 H
ATOM 278 1HB ARG A 16 -14.337 14.045 -0.006 1.00 0.00 H
ATOM 279 2HB ARG A 16 -14.734 13.663 1.662 1.00 0.00 H
ATOM 280 1HG ARG A 16 -17.124 14.398 1.100 1.00 0.00 H
ATOM 281 2HG ARG A 16 -16.606 14.331 -0.602 1.00 0.00 H
ATOM 282 1HD ARG A 16 -17.584 12.258 -0.098 1.00 0.00 H
ATOM 283 2HD ARG A 16 -15.826 11.995 -0.149 1.00 0.00 H
ATOM 284 HE ARG A 16 -16.882 12.564 2.499 1.00 0.00 H
ATOM 285 1HH1 ARG A 16 -16.157 10.078 0.125 1.00 0.00 H
ATOM 286 2HH1 ARG A 16 -16.046 8.799 1.313 1.00 0.00 H
ATOM 287 1HH2 ARG A 16 -16.736 10.895 4.032 1.00 0.00 H
ATOM 288 2HH2 ARG A 16 -16.374 9.261 3.525 1.00 0.00 H
ATOM 289 N GLU A 17 -15.340 15.628 3.560 1.00 0.00 N
ATOM 290 CA GLU A 17 -16.142 15.861 4.756 1.00 0.00 C
ATOM 291 C GLU A 17 -16.134 17.334 5.145 1.00 0.00 C
ATOM 292 O GLU A 17 -17.142 17.869 5.606 1.00 0.00 O
ATOM 293 CB GLU A 17 -15.623 15.013 5.919 1.00 0.00 C
ATOM 294 CG GLU A 17 -15.813 13.514 5.739 1.00 0.00 C
ATOM 295 CD GLU A 17 -17.258 13.118 5.617 1.00 0.00 C
ATOM 296 OE1 GLU A 17 -18.045 13.560 6.419 1.00 0.00 O
ATOM 297 OE2 GLU A 17 -17.575 12.372 4.721 1.00 0.00 O
ATOM 298 H GLU A 17 -14.491 15.086 3.635 1.00 0.00 H
ATOM 299 HA GLU A 17 -17.171 15.571 4.544 1.00 0.00 H
ATOM 300 1HB GLU A 17 -14.558 15.201 6.060 1.00 0.00 H
ATOM 301 2HB GLU A 17 -16.131 15.307 6.838 1.00 0.00 H
ATOM 302 1HG GLU A 17 -15.285 13.197 4.840 1.00 0.00 H
ATOM 303 2HG GLU A 17 -15.369 12.997 6.588 1.00 0.00 H
ATOM 304 N GLN A 18 -14.991 17.985 4.956 1.00 0.00 N
ATOM 305 CA GLN A 18 -14.867 19.411 5.232 1.00 0.00 C
ATOM 306 C GLN A 18 -15.726 20.233 4.280 1.00 0.00 C
ATOM 307 O GLN A 18 -16.339 21.223 4.680 1.00 0.00 O
ATOM 308 CB GLN A 18 -13.404 19.852 5.129 1.00 0.00 C
ATOM 309 CG GLN A 18 -13.163 21.302 5.511 1.00 0.00 C
ATOM 310 CD GLN A 18 -13.492 21.580 6.965 1.00 0.00 C
ATOM 311 OE1 GLN A 18 -13.040 20.867 7.866 1.00 0.00 O
ATOM 312 NE2 GLN A 18 -14.283 22.619 7.204 1.00 0.00 N
ATOM 313 H GLN A 18 -14.188 17.478 4.612 1.00 0.00 H
ATOM 314 HA GLN A 18 -15.216 19.598 6.247 1.00 0.00 H
ATOM 315 1HB GLN A 18 -12.789 19.226 5.776 1.00 0.00 H
ATOM 316 2HB GLN A 18 -13.053 19.710 4.107 1.00 0.00 H
ATOM 317 1HG GLN A 18 -12.111 21.540 5.347 1.00 0.00 H
ATOM 318 2HG GLN A 18 -13.791 21.940 4.890 1.00 0.00 H
ATOM 319 1HE2 GLN A 18 -14.536 22.851 8.144 1.00 0.00 H
ATOM 320 2HE2 GLN A 18 -14.628 23.170 6.444 1.00 0.00 H
ATOM 321 N LEU A 19 -15.767 19.817 3.019 1.00 0.00 N
ATOM 322 CA LEU A 19 -16.590 20.485 2.018 1.00 0.00 C
ATOM 323 C LEU A 19 -18.073 20.278 2.296 1.00 0.00 C
ATOM 324 O LEU A 19 -18.891 21.165 2.050 1.00 0.00 O
ATOM 325 CB LEU A 19 -16.248 19.964 0.617 1.00 0.00 C
ATOM 326 CG LEU A 19 -14.858 20.339 0.088 1.00 0.00 C
ATOM 327 CD1 LEU A 19 -14.595 19.602 -1.219 1.00 0.00 C
ATOM 328 CD2 LEU A 19 -14.779 21.846 -0.109 1.00 0.00 C
ATOM 329 H LEU A 19 -15.214 19.017 2.747 1.00 0.00 H
ATOM 330 HA LEU A 19 -16.380 21.554 2.055 1.00 0.00 H
ATOM 331 1HB LEU A 19 -16.317 18.877 0.624 1.00 0.00 H
ATOM 332 2HB LEU A 19 -16.986 20.349 -0.087 1.00 0.00 H
ATOM 333 HG LEU A 19 -14.099 20.027 0.805 1.00 0.00 H
ATOM 334 1HD1 LEU A 19 -13.607 19.869 -1.594 1.00 0.00 H
ATOM 335 2HD1 LEU A 19 -14.638 18.527 -1.045 1.00 0.00 H
ATOM 336 3HD1 LEU A 19 -15.349 19.883 -1.952 1.00 0.00 H
ATOM 337 1HD2 LEU A 19 -13.791 22.113 -0.484 1.00 0.00 H
ATOM 338 2HD2 LEU A 19 -15.537 22.159 -0.828 1.00 0.00 H
ATOM 339 3HD2 LEU A 19 -14.953 22.347 0.843 1.00 0.00 H
ATOM 340 N ALA A 20 -18.414 19.101 2.809 1.00 0.00 N
ATOM 341 CA ALA A 20 -19.779 18.820 3.240 1.00 0.00 C
ATOM 342 C ALA A 20 -20.188 19.723 4.397 1.00 0.00 C
ATOM 343 O ALA A 20 -21.303 20.245 4.424 1.00 0.00 O
ATOM 344 CB ALA A 20 -19.918 17.357 3.636 1.00 0.00 C
ATOM 345 H ALA A 20 -17.711 18.382 2.904 1.00 0.00 H
ATOM 346 HA ALA A 20 -20.447 19.024 2.404 1.00 0.00 H
ATOM 347 1HB ALA A 20 -20.942 17.163 3.955 1.00 0.00 H
ATOM 348 2HB ALA A 20 -19.678 16.724 2.782 1.00 0.00 H
ATOM 349 3HB ALA A 20 -19.235 17.135 4.455 1.00 0.00 H
ATOM 350 N LYS A 21 -19.281 19.903 5.350 1.00 0.00 N
ATOM 351 CA LYS A 21 -19.518 20.802 6.473 1.00 0.00 C
ATOM 352 C LYS A 21 -19.676 22.242 6.003 1.00 0.00 C
ATOM 353 O LYS A 21 -20.511 22.985 6.519 1.00 0.00 O
ATOM 354 CB LYS A 21 -18.378 20.703 7.489 1.00 0.00 C
ATOM 355 CG LYS A 21 -18.346 19.398 8.273 1.00 0.00 C
ATOM 356 CD LYS A 21 -17.158 19.352 9.222 1.00 0.00 C
ATOM 357 CE LYS A 21 -17.118 18.044 9.998 1.00 0.00 C
ATOM 358 NZ LYS A 21 -15.952 17.980 10.921 1.00 0.00 N
ATOM 359 H LYS A 21 -18.404 19.404 5.295 1.00 0.00 H
ATOM 360 HA LYS A 21 -20.447 20.507 6.963 1.00 0.00 H
ATOM 361 1HB LYS A 21 -17.422 20.807 6.974 1.00 0.00 H
ATOM 362 2HB LYS A 21 -18.456 21.521 8.204 1.00 0.00 H
ATOM 363 1HG LYS A 21 -19.266 19.297 8.850 1.00 0.00 H
ATOM 364 2HG LYS A 21 -18.279 18.559 7.581 1.00 0.00 H
ATOM 365 1HD LYS A 21 -16.233 19.456 8.653 1.00 0.00 H
ATOM 366 2HD LYS A 21 -17.224 20.180 9.928 1.00 0.00 H
ATOM 367 1HE LYS A 21 -18.032 17.939 10.581 1.00 0.00 H
ATOM 368 2HE LYS A 21 -17.060 17.209 9.301 1.00 0.00 H
ATOM 369 1HZ LYS A 21 -15.961 17.099 11.415 1.00 0.00 H
ATOM 370 2HZ LYS A 21 -15.096 18.058 10.389 1.00 0.00 H
ATOM 371 3HZ LYS A 21 -16.005 18.739 11.585 1.00 0.00 H
ATOM 372 N GLN A 22 -18.871 22.630 5.020 1.00 0.00 N
ATOM 373 CA GLN A 22 -18.973 23.956 4.424 1.00 0.00 C
ATOM 374 C GLN A 22 -20.306 24.137 3.708 1.00 0.00 C
ATOM 375 O GLN A 22 -20.914 25.206 3.768 1.00 0.00 O
ATOM 376 CB GLN A 22 -17.819 24.196 3.447 1.00 0.00 C
ATOM 377 CG GLN A 22 -17.791 25.591 2.846 1.00 0.00 C
ATOM 378 CD GLN A 22 -17.568 26.667 3.892 1.00 0.00 C
ATOM 379 OE1 GLN A 22 -16.647 26.578 4.708 1.00 0.00 O
ATOM 380 NE2 GLN A 22 -18.412 27.692 3.873 1.00 0.00 N
ATOM 381 H GLN A 22 -18.169 21.989 4.677 1.00 0.00 H
ATOM 382 HA GLN A 22 -18.916 24.698 5.220 1.00 0.00 H
ATOM 383 1HB GLN A 22 -16.870 24.031 3.958 1.00 0.00 H
ATOM 384 2HB GLN A 22 -17.879 23.478 2.629 1.00 0.00 H
ATOM 385 1HG GLN A 22 -16.980 25.646 2.120 1.00 0.00 H
ATOM 386 2HG GLN A 22 -18.745 25.783 2.356 1.00 0.00 H
ATOM 387 1HE2 GLN A 22 -18.314 28.433 4.539 1.00 0.00 H
ATOM 388 2HE2 GLN A 22 -19.145 27.725 3.194 1.00 0.00 H
ATOM 389 N THR A 23 -20.755 23.086 3.030 1.00 0.00 N
ATOM 390 CA THR A 23 -22.043 23.109 2.347 1.00 0.00 C
ATOM 391 C THR A 23 -23.183 23.349 3.329 1.00 0.00 C
ATOM 392 O THR A 23 -24.094 24.131 3.057 1.00 0.00 O
ATOM 393 CB THR A 23 -22.287 21.795 1.582 1.00 0.00 C
ATOM 394 OG1 THR A 23 -21.272 21.624 0.584 1.00 0.00 O
ATOM 395 CG2 THR A 23 -23.653 21.813 0.913 1.00 0.00 C
ATOM 396 H THR A 23 -20.189 22.250 2.987 1.00 0.00 H
ATOM 397 HA THR A 23 -22.039 23.929 1.629 1.00 0.00 H
ATOM 398 HB THR A 23 -22.240 20.956 2.276 1.00 0.00 H
ATOM 399 HG1 THR A 23 -20.425 21.477 1.012 1.00 0.00 H
ATOM 400 1HG2 THR A 23 -23.808 20.877 0.377 1.00 0.00 H
ATOM 401 2HG2 THR A 23 -24.428 21.931 1.670 1.00 0.00 H
ATOM 402 3HG2 THR A 23 -23.703 22.645 0.211 1.00 0.00 H
ATOM 403 N VAL A 24 -23.126 22.671 4.470 1.00 0.00 N
ATOM 404 CA VAL A 24 -24.108 22.871 5.529 1.00 0.00 C
ATOM 405 C VAL A 24 -24.076 24.304 6.047 1.00 0.00 C
ATOM 406 O VAL A 24 -25.120 24.928 6.237 1.00 0.00 O
ATOM 407 CB VAL A 24 -23.842 21.901 6.695 1.00 0.00 C
ATOM 408 CG1 VAL A 24 -24.712 22.256 7.892 1.00 0.00 C
ATOM 409 CG2 VAL A 24 -24.098 20.470 6.247 1.00 0.00 C
ATOM 410 H VAL A 24 -22.384 22.001 4.608 1.00 0.00 H
ATOM 411 HA VAL A 24 -25.100 22.668 5.124 1.00 0.00 H
ATOM 412 HB VAL A 24 -22.803 22.004 7.011 1.00 0.00 H
ATOM 413 1HG1 VAL A 24 -24.510 21.560 8.707 1.00 0.00 H
ATOM 414 2HG1 VAL A 24 -24.486 23.271 8.218 1.00 0.00 H
ATOM 415 3HG1 VAL A 24 -25.762 22.189 7.611 1.00 0.00 H
ATOM 416 1HG2 VAL A 24 -23.907 19.790 7.077 1.00 0.00 H
ATOM 417 2HG2 VAL A 24 -25.135 20.370 5.926 1.00 0.00 H
ATOM 418 3HG2 VAL A 24 -23.435 20.225 5.417 1.00 0.00 H
ATOM 419 N ALA A 25 -22.873 24.819 6.273 1.00 0.00 N
ATOM 420 CA ALA A 25 -22.701 26.192 6.732 1.00 0.00 C
ATOM 421 C ALA A 25 -23.310 27.183 5.748 1.00 0.00 C
ATOM 422 O ALA A 25 -23.948 28.157 6.147 1.00 0.00 O
ATOM 423 CB ALA A 25 -21.226 26.499 6.947 1.00 0.00 C
ATOM 424 H ALA A 25 -22.056 24.245 6.122 1.00 0.00 H
ATOM 425 HA ALA A 25 -23.226 26.300 7.682 1.00 0.00 H
ATOM 426 1HB ALA A 25 -21.115 27.527 7.290 1.00 0.00 H
ATOM 427 2HB ALA A 25 -20.819 25.820 7.696 1.00 0.00 H
ATOM 428 3HB ALA A 25 -20.688 26.369 6.009 1.00 0.00 H
ATOM 429 N ILE A 26 -23.110 26.928 4.460 1.00 0.00 N
ATOM 430 CA ILE A 26 -23.695 27.758 3.414 1.00 0.00 C
ATOM 431 C ILE A 26 -25.217 27.718 3.466 1.00 0.00 C
ATOM 432 O ILE A 26 -25.879 28.749 3.347 1.00 0.00 O
ATOM 433 CB ILE A 26 -23.217 27.307 2.022 1.00 0.00 C
ATOM 434 CG1 ILE A 26 -21.726 27.609 1.846 1.00 0.00 C
ATOM 435 CG2 ILE A 26 -24.033 27.987 0.933 1.00 0.00 C
ATOM 436 CD1 ILE A 26 -21.103 26.931 0.648 1.00 0.00 C
ATOM 437 H ILE A 26 -22.537 26.138 4.198 1.00 0.00 H
ATOM 438 HA ILE A 26 -23.376 28.788 3.571 1.00 0.00 H
ATOM 439 HB ILE A 26 -23.332 26.228 1.929 1.00 0.00 H
ATOM 440 1HG1 ILE A 26 -21.583 28.684 1.743 1.00 0.00 H
ATOM 441 2HG1 ILE A 26 -21.183 27.292 2.737 1.00 0.00 H
ATOM 442 1HG2 ILE A 26 -23.681 27.657 -0.044 1.00 0.00 H
ATOM 443 2HG2 ILE A 26 -25.083 27.723 1.048 1.00 0.00 H
ATOM 444 3HG2 ILE A 26 -23.919 29.068 1.014 1.00 0.00 H
ATOM 445 1HD1 ILE A 26 -20.046 27.192 0.590 1.00 0.00 H
ATOM 446 2HD1 ILE A 26 -21.204 25.850 0.748 1.00 0.00 H
ATOM 447 3HD1 ILE A 26 -21.607 27.260 -0.260 1.00 0.00 H
ATOM 448 N ALA A 27 -25.766 26.522 3.645 1.00 0.00 N
ATOM 449 CA ALA A 27 -27.209 26.353 3.772 1.00 0.00 C
ATOM 450 C ALA A 27 -27.749 27.111 4.978 1.00 0.00 C
ATOM 451 O ALA A 27 -28.811 27.729 4.910 1.00 0.00 O
ATOM 452 CB ALA A 27 -27.562 24.876 3.875 1.00 0.00 C
ATOM 453 H ALA A 27 -25.169 25.709 3.695 1.00 0.00 H
ATOM 454 HA ALA A 27 -27.678 26.766 2.880 1.00 0.00 H
ATOM 455 1HB ALA A 27 -28.643 24.766 3.969 1.00 0.00 H
ATOM 456 2HB ALA A 27 -27.221 24.357 2.979 1.00 0.00 H
ATOM 457 3HB ALA A 27 -27.077 24.446 4.749 1.00 0.00 H
ATOM 458 N GLU A 28 -27.011 27.060 6.081 1.00 0.00 N
ATOM 459 CA GLU A 28 -27.387 27.786 7.289 1.00 0.00 C
ATOM 460 C GLU A 28 -27.385 29.290 7.051 1.00 0.00 C
ATOM 461 O GLU A 28 -28.301 29.996 7.473 1.00 0.00 O
ATOM 462 CB GLU A 28 -26.435 27.440 8.437 1.00 0.00 C
ATOM 463 CG GLU A 28 -26.593 26.028 8.981 1.00 0.00 C
ATOM 464 CD GLU A 28 -25.552 25.676 10.007 1.00 0.00 C
ATOM 465 OE1 GLU A 28 -24.610 26.419 10.149 1.00 0.00 O
ATOM 466 OE2 GLU A 28 -25.699 24.664 10.650 1.00 0.00 O
ATOM 467 H GLU A 28 -26.167 26.504 6.084 1.00 0.00 H
ATOM 468 HA GLU A 28 -28.397 27.488 7.571 1.00 0.00 H
ATOM 469 1HB GLU A 28 -25.404 27.557 8.102 1.00 0.00 H
ATOM 470 2HB GLU A 28 -26.593 28.136 9.261 1.00 0.00 H
ATOM 471 1HG GLU A 28 -27.580 25.932 9.433 1.00 0.00 H
ATOM 472 2HG GLU A 28 -26.533 25.322 8.153 1.00 0.00 H
ATOM 473 N LEU A 29 -26.352 29.775 6.371 1.00 0.00 N
ATOM 474 CA LEU A 29 -26.255 31.190 6.030 1.00 0.00 C
ATOM 475 C LEU A 29 -27.374 31.605 5.083 1.00 0.00 C
ATOM 476 O LEU A 29 -27.896 32.716 5.173 1.00 0.00 O
ATOM 477 CB LEU A 29 -24.895 31.488 5.386 1.00 0.00 C
ATOM 478 CG LEU A 29 -23.683 31.397 6.322 1.00 0.00 C
ATOM 479 CD1 LEU A 29 -22.402 31.510 5.506 1.00 0.00 C
ATOM 480 CD2 LEU A 29 -23.764 32.499 7.367 1.00 0.00 C
ATOM 481 H LEU A 29 -25.614 29.149 6.084 1.00 0.00 H
ATOM 482 HA LEU A 29 -26.346 31.773 6.945 1.00 0.00 H
ATOM 483 1HB LEU A 29 -24.736 30.787 4.569 1.00 0.00 H
ATOM 484 2HB LEU A 29 -24.920 32.496 4.973 1.00 0.00 H
ATOM 485 HG LEU A 29 -23.678 30.426 6.817 1.00 0.00 H
ATOM 486 1HD1 LEU A 29 -21.540 31.445 6.170 1.00 0.00 H
ATOM 487 2HD1 LEU A 29 -22.361 30.698 4.779 1.00 0.00 H
ATOM 488 3HD1 LEU A 29 -22.386 32.466 4.984 1.00 0.00 H
ATOM 489 1HD2 LEU A 29 -22.902 32.434 8.033 1.00 0.00 H
ATOM 490 2HD2 LEU A 29 -23.768 33.470 6.873 1.00 0.00 H
ATOM 491 3HD2 LEU A 29 -24.680 32.384 7.947 1.00 0.00 H
ATOM 492 N THR A 30 -27.738 30.706 4.175 1.00 0.00 N
ATOM 493 CA THR A 30 -28.838 30.953 3.250 1.00 0.00 C
ATOM 494 C THR A 30 -30.153 31.137 3.996 1.00 0.00 C
ATOM 495 O THR A 30 -30.942 32.025 3.672 1.00 0.00 O
ATOM 496 CB THR A 30 -28.976 29.804 2.234 1.00 0.00 C
ATOM 497 OG1 THR A 30 -27.775 29.701 1.458 1.00 0.00 O
ATOM 498 CG2 THR A 30 -30.155 30.052 1.305 1.00 0.00 C
ATOM 499 H THR A 30 -27.240 29.829 4.123 1.00 0.00 H
ATOM 500 HA THR A 30 -28.630 31.872 2.702 1.00 0.00 H
ATOM 501 HB THR A 30 -29.131 28.865 2.765 1.00 0.00 H
ATOM 502 HG1 THR A 30 -27.052 29.420 2.025 1.00 0.00 H
ATOM 503 1HG2 THR A 30 -30.237 29.231 0.594 1.00 0.00 H
ATOM 504 2HG2 THR A 30 -31.071 30.120 1.891 1.00 0.00 H
ATOM 505 3HG2 THR A 30 -30.001 30.985 0.764 1.00 0.00 H
ATOM 506 N GLU A 31 -30.384 30.293 4.995 1.00 0.00 N
ATOM 507 CA GLU A 31 -31.574 30.403 5.831 1.00 0.00 C
ATOM 508 C GLU A 31 -31.564 31.696 6.636 1.00 0.00 C
ATOM 509 O GLU A 31 -32.581 32.383 6.738 1.00 0.00 O
ATOM 510 CB GLU A 31 -31.675 29.203 6.776 1.00 0.00 C
ATOM 511 CG GLU A 31 -31.999 27.886 6.086 1.00 0.00 C
ATOM 512 CD GLU A 31 -32.018 26.719 7.034 1.00 0.00 C
ATOM 513 OE1 GLU A 31 -31.674 26.900 8.177 1.00 0.00 O
ATOM 514 OE2 GLU A 31 -32.377 25.644 6.614 1.00 0.00 O
ATOM 515 H GLU A 31 -29.719 29.557 5.181 1.00 0.00 H
ATOM 516 HA GLU A 31 -32.452 30.413 5.184 1.00 0.00 H
ATOM 517 1HB GLU A 31 -30.731 29.079 7.308 1.00 0.00 H
ATOM 518 2HB GLU A 31 -32.449 29.390 7.520 1.00 0.00 H
ATOM 519 1HG GLU A 31 -32.975 27.967 5.609 1.00 0.00 H
ATOM 520 2HG GLU A 31 -31.259 27.703 5.308 1.00 0.00 H
ATOM 521 N GLU A 32 -30.410 32.023 7.207 1.00 0.00 N
ATOM 522 CA GLU A 32 -30.262 33.241 7.994 1.00 0.00 C
ATOM 523 C GLU A 32 -30.484 34.481 7.137 1.00 0.00 C
ATOM 524 O GLU A 32 -31.042 35.476 7.600 1.00 0.00 O
ATOM 525 CB GLU A 32 -28.874 33.296 8.637 1.00 0.00 C
ATOM 526 CG GLU A 32 -28.665 32.297 9.766 1.00 0.00 C
ATOM 527 CD GLU A 32 -27.270 32.331 10.326 1.00 0.00 C
ATOM 528 OE1 GLU A 32 -26.439 33.000 9.760 1.00 0.00 O
ATOM 529 OE2 GLU A 32 -27.035 31.686 11.321 1.00 0.00 O
ATOM 530 H GLU A 32 -29.614 31.411 7.093 1.00 0.00 H
ATOM 531 HA GLU A 32 -31.013 33.236 8.784 1.00 0.00 H
ATOM 532 1HB GLU A 32 -28.114 33.108 7.879 1.00 0.00 H
ATOM 533 2HB GLU A 32 -28.698 34.295 9.037 1.00 0.00 H
ATOM 534 1HG GLU A 32 -29.371 32.516 10.567 1.00 0.00 H
ATOM 535 2HG GLU A 32 -28.879 31.296 9.396 1.00 0.00 H
ATOM 536 N LEU A 33 -30.045 34.415 5.885 1.00 0.00 N
ATOM 537 CA LEU A 33 -30.221 35.521 4.952 1.00 0.00 C
ATOM 538 C LEU A 33 -31.257 35.185 3.887 1.00 0.00 C
ATOM 539 O LEU A 33 -31.154 35.629 2.744 1.00 0.00 O
ATOM 540 CB LEU A 33 -28.885 35.867 4.282 1.00 0.00 C
ATOM 541 CG LEU A 33 -27.770 36.337 5.226 1.00 0.00 C
ATOM 542 CD1 LEU A 33 -26.481 36.524 4.436 1.00 0.00 C
ATOM 543 CD2 LEU A 33 -28.190 37.633 5.903 1.00 0.00 C
ATOM 544 H LEU A 33 -29.577 33.576 5.571 1.00 0.00 H
ATOM 545 HA LEU A 33 -30.570 36.390 5.508 1.00 0.00 H
ATOM 546 1HB LEU A 33 -28.523 34.987 3.754 1.00 0.00 H
ATOM 547 2HB LEU A 33 -29.056 36.659 3.553 1.00 0.00 H
ATOM 548 HG LEU A 33 -27.589 35.573 5.983 1.00 0.00 H
ATOM 549 1HD1 LEU A 33 -25.689 36.857 5.107 1.00 0.00 H
ATOM 550 2HD1 LEU A 33 -26.194 35.577 3.979 1.00 0.00 H
ATOM 551 3HD1 LEU A 33 -26.637 37.271 3.659 1.00 0.00 H
ATOM 552 1HD2 LEU A 33 -27.397 37.966 6.574 1.00 0.00 H
ATOM 553 2HD2 LEU A 33 -28.370 38.397 5.147 1.00 0.00 H
ATOM 554 3HD2 LEU A 33 -29.103 37.465 6.474 1.00 0.00 H
ATOM 555 N GLN A 34 -32.256 34.396 4.269 1.00 0.00 N
ATOM 556 CA GLN A 34 -33.320 34.009 3.351 1.00 0.00 C
ATOM 557 C GLN A 34 -34.164 35.211 2.947 1.00 0.00 C
ATOM 558 O GLN A 34 -34.530 35.361 1.781 1.00 0.00 O
ATOM 559 CB GLN A 34 -34.209 32.935 3.985 1.00 0.00 C
ATOM 560 CG GLN A 34 -35.294 32.403 3.064 1.00 0.00 C
ATOM 561 CD GLN A 34 -34.726 31.690 1.851 1.00 0.00 C
ATOM 562 OE1 GLN A 34 -33.869 30.811 1.976 1.00 0.00 O
ATOM 563 NE2 GLN A 34 -35.201 32.065 0.669 1.00 0.00 N
ATOM 564 H GLN A 34 -32.279 34.057 5.220 1.00 0.00 H
ATOM 565 HA GLN A 34 -32.866 33.598 2.450 1.00 0.00 H
ATOM 566 1HB GLN A 34 -33.594 32.093 4.301 1.00 0.00 H
ATOM 567 2HB GLN A 34 -34.692 33.340 4.874 1.00 0.00 H
ATOM 568 1HG GLN A 34 -35.912 31.696 3.618 1.00 0.00 H
ATOM 569 2HG GLN A 34 -35.903 33.238 2.716 1.00 0.00 H
ATOM 570 1HE2 GLN A 34 -34.864 31.631 -0.167 1.00 0.00 H
ATOM 571 2HE2 GLN A 34 -35.896 32.783 0.614 1.00 0.00 H
ATOM 572 N SER A 35 -34.470 36.065 3.917 1.00 0.00 N
ATOM 573 CA SER A 35 -35.248 37.271 3.659 1.00 0.00 C
ATOM 574 C SER A 35 -34.461 38.265 2.815 1.00 0.00 C
ATOM 575 O SER A 35 -35.038 39.049 2.062 1.00 0.00 O
ATOM 576 CB SER A 35 -35.658 37.918 4.967 1.00 0.00 C
ATOM 577 OG SER A 35 -34.541 38.413 5.654 1.00 0.00 O
ATOM 578 H SER A 35 -34.156 35.875 4.858 1.00 0.00 H
ATOM 579 HA SER A 35 -36.148 36.991 3.108 1.00 0.00 H
ATOM 580 1HB SER A 35 -36.355 38.732 4.768 1.00 0.00 H
ATOM 581 2HB SER A 35 -36.176 37.188 5.588 1.00 0.00 H
ATOM 582 HG SER A 35 -34.685 39.358 5.748 1.00 0.00 H
ATOM 583 N LYS A 36 -33.139 38.226 2.945 1.00 0.00 N
ATOM 584 CA LYS A 36 -32.262 39.027 2.098 1.00 0.00 C
ATOM 585 C LYS A 36 -32.332 38.571 0.646 1.00 0.00 C
ATOM 586 O LYS A 36 -32.472 39.387 -0.264 1.00 0.00 O
ATOM 587 CB LYS A 36 -30.820 38.957 2.603 1.00 0.00 C
ATOM 588 CG LYS A 36 -29.829 39.781 1.791 1.00 0.00 C
ATOM 589 CD LYS A 36 -28.433 39.715 2.392 1.00 0.00 C
ATOM 590 CE LYS A 36 -27.437 40.521 1.571 1.00 0.00 C
ATOM 591 NZ LYS A 36 -26.072 40.486 2.161 1.00 0.00 N
ATOM 592 H LYS A 36 -32.731 37.627 3.648 1.00 0.00 H
ATOM 593 HA LYS A 36 -32.595 40.064 2.138 1.00 0.00 H
ATOM 594 1HB LYS A 36 -30.778 39.305 3.635 1.00 0.00 H
ATOM 595 2HB LYS A 36 -30.481 37.921 2.593 1.00 0.00 H
ATOM 596 1HG LYS A 36 -29.793 39.403 0.769 1.00 0.00 H
ATOM 597 2HG LYS A 36 -30.156 40.820 1.765 1.00 0.00 H
ATOM 598 1HD LYS A 36 -28.456 40.109 3.409 1.00 0.00 H
ATOM 599 2HD LYS A 36 -28.102 38.677 2.431 1.00 0.00 H
ATOM 600 1HE LYS A 36 -27.393 40.121 0.559 1.00 0.00 H
ATOM 601 2HE LYS A 36 -27.768 41.558 1.514 1.00 0.00 H
ATOM 602 1HZ LYS A 36 -25.443 41.031 1.588 1.00 0.00 H
ATOM 603 2HZ LYS A 36 -26.097 40.872 3.094 1.00 0.00 H
ATOM 604 3HZ LYS A 36 -25.746 39.530 2.201 1.00 0.00 H
ATOM 605 N CYS A 37 -32.233 37.262 0.437 1.00 0.00 N
ATOM 606 CA CYS A 37 -32.310 36.693 -0.903 1.00 0.00 C
ATOM 607 C CYS A 37 -33.660 36.980 -1.547 1.00 0.00 C
ATOM 608 O CYS A 37 -33.750 37.186 -2.758 1.00 0.00 O
ATOM 609 CB CYS A 37 -32.083 35.182 -0.859 1.00 0.00 C
ATOM 610 SG CYS A 37 -30.392 34.700 -0.435 1.00 0.00 S
ATOM 611 H CYS A 37 -32.101 36.646 1.227 1.00 0.00 H
ATOM 612 HA CYS A 37 -31.529 37.144 -1.515 1.00 0.00 H
ATOM 613 1HB CYS A 37 -32.755 34.734 -0.126 1.00 0.00 H
ATOM 614 2HB CYS A 37 -32.323 34.749 -1.830 1.00 0.00 H
ATOM 615 HG CYS A 37 -30.609 33.389 -0.468 1.00 0.00 H
ATOM 616 N ILE A 38 -34.708 36.994 -0.731 1.00 0.00 N
ATOM 617 CA ILE A 38 -36.036 37.375 -1.196 1.00 0.00 C
ATOM 618 C ILE A 38 -36.080 38.845 -1.592 1.00 0.00 C
ATOM 619 O ILE A 38 -36.646 39.204 -2.625 1.00 0.00 O
ATOM 620 CB ILE A 38 -37.097 37.102 -0.114 1.00 0.00 C
ATOM 621 CG1 ILE A 38 -37.261 35.596 0.105 1.00 0.00 C
ATOM 622 CG2 ILE A 38 -38.425 37.735 -0.499 1.00 0.00 C
ATOM 623 CD1 ILE A 38 -38.053 35.242 1.343 1.00 0.00 C
ATOM 624 H ILE A 38 -34.582 36.732 0.236 1.00 0.00 H
ATOM 625 HA ILE A 38 -36.280 36.779 -2.075 1.00 0.00 H
ATOM 626 HB ILE A 38 -36.765 37.524 0.835 1.00 0.00 H
ATOM 627 1HG1 ILE A 38 -37.760 35.156 -0.758 1.00 0.00 H
ATOM 628 2HG1 ILE A 38 -36.278 35.131 0.186 1.00 0.00 H
ATOM 629 1HG2 ILE A 38 -39.163 37.532 0.277 1.00 0.00 H
ATOM 630 2HG2 ILE A 38 -38.297 38.812 -0.605 1.00 0.00 H
ATOM 631 3HG2 ILE A 38 -38.768 37.316 -1.445 1.00 0.00 H
ATOM 632 1HD1 ILE A 38 -38.126 34.157 1.430 1.00 0.00 H
ATOM 633 2HD1 ILE A 38 -37.551 35.643 2.224 1.00 0.00 H
ATOM 634 3HD1 ILE A 38 -39.053 35.667 1.269 1.00 0.00 H
ATOM 635 N GLN A 39 -35.479 39.694 -0.764 1.00 0.00 N
ATOM 636 CA GLN A 39 -35.468 41.130 -1.015 1.00 0.00 C
ATOM 637 C GLN A 39 -34.682 41.462 -2.277 1.00 0.00 C
ATOM 638 O GLN A 39 -35.054 42.360 -3.033 1.00 0.00 O
ATOM 639 CB GLN A 39 -34.875 41.878 0.182 1.00 0.00 C
ATOM 640 CG GLN A 39 -34.920 43.391 0.055 1.00 0.00 C
ATOM 641 CD GLN A 39 -36.339 43.925 0.001 1.00 0.00 C
ATOM 642 OE1 GLN A 39 -37.164 43.624 0.868 1.00 0.00 O
ATOM 643 NE2 GLN A 39 -36.632 44.723 -1.020 1.00 0.00 N
ATOM 644 H GLN A 39 -35.019 39.334 0.060 1.00 0.00 H
ATOM 645 HA GLN A 39 -36.495 41.464 -1.161 1.00 0.00 H
ATOM 646 1HB GLN A 39 -35.414 41.600 1.088 1.00 0.00 H
ATOM 647 2HB GLN A 39 -33.835 41.583 0.317 1.00 0.00 H
ATOM 648 1HG GLN A 39 -34.421 43.833 0.918 1.00 0.00 H
ATOM 649 2HG GLN A 39 -34.410 43.684 -0.862 1.00 0.00 H
ATOM 650 1HE2 GLN A 39 -37.552 45.106 -1.108 1.00 0.00 H
ATOM 651 2HE2 GLN A 39 -35.932 44.941 -1.701 1.00 0.00 H
ATOM 652 N LEU A 40 -33.593 40.734 -2.499 1.00 0.00 N
ATOM 653 CA LEU A 40 -32.742 40.962 -3.660 1.00 0.00 C
ATOM 654 C LEU A 40 -33.465 40.601 -4.952 1.00 0.00 C
ATOM 655 O LEU A 40 -34.118 39.561 -5.040 1.00 0.00 O
ATOM 656 CB LEU A 40 -31.452 40.141 -3.542 1.00 0.00 C
ATOM 657 CG LEU A 40 -30.484 40.579 -2.436 1.00 0.00 C
ATOM 658 CD1 LEU A 40 -29.357 39.562 -2.315 1.00 0.00 C
ATOM 659 CD2 LEU A 40 -29.939 41.963 -2.757 1.00 0.00 C
ATOM 660 H LEU A 40 -33.349 40.003 -1.846 1.00 0.00 H
ATOM 661 HA LEU A 40 -32.482 42.020 -3.696 1.00 0.00 H
ATOM 662 1HB LEU A 40 -31.718 39.101 -3.357 1.00 0.00 H
ATOM 663 2HB LEU A 40 -30.918 40.194 -4.491 1.00 0.00 H
ATOM 664 HG LEU A 40 -31.010 40.608 -1.482 1.00 0.00 H
ATOM 665 1HD1 LEU A 40 -28.669 39.873 -1.529 1.00 0.00 H
ATOM 666 2HD1 LEU A 40 -29.774 38.585 -2.066 1.00 0.00 H
ATOM 667 3HD1 LEU A 40 -28.821 39.498 -3.261 1.00 0.00 H
ATOM 668 1HD2 LEU A 40 -29.251 42.274 -1.970 1.00 0.00 H
ATOM 669 2HD2 LEU A 40 -29.411 41.934 -3.710 1.00 0.00 H
ATOM 670 3HD2 LEU A 40 -30.763 42.673 -2.820 1.00 0.00 H
ATOM 671 N ASN A 41 -33.344 41.467 -5.953 1.00 0.00 N
ATOM 672 CA ASN A 41 -33.964 41.228 -7.251 1.00 0.00 C
ATOM 673 C ASN A 41 -32.915 40.967 -8.323 1.00 0.00 C
ATOM 674 O ASN A 41 -33.225 40.446 -9.395 1.00 0.00 O
ATOM 675 CB ASN A 41 -34.849 42.398 -7.643 1.00 0.00 C
ATOM 676 CG ASN A 41 -36.037 42.553 -6.734 1.00 0.00 C
ATOM 677 OD1 ASN A 41 -36.799 41.604 -6.520 1.00 0.00 O
ATOM 678 ND2 ASN A 41 -36.209 43.734 -6.196 1.00 0.00 N
ATOM 679 H ASN A 41 -32.808 42.311 -5.812 1.00 0.00 H
ATOM 680 HA ASN A 41 -34.583 40.333 -7.179 1.00 0.00 H
ATOM 681 1HB ASN A 41 -34.265 43.319 -7.620 1.00 0.00 H
ATOM 682 2HB ASN A 41 -35.203 42.260 -8.664 1.00 0.00 H
ATOM 683 1HD2 ASN A 41 -36.983 43.895 -5.583 1.00 0.00 H
ATOM 684 2HD2 ASN A 41 -35.567 44.473 -6.397 1.00 0.00 H
ATOM 685 N LYS A 42 -31.672 41.332 -8.029 1.00 0.00 N
ATOM 686 CA LYS A 42 -30.572 41.130 -8.965 1.00 0.00 C
ATOM 687 C LYS A 42 -29.785 39.871 -8.626 1.00 0.00 C
ATOM 688 O LYS A 42 -28.820 39.527 -9.310 1.00 0.00 O
ATOM 689 CB LYS A 42 -29.643 42.345 -8.970 1.00 0.00 C
ATOM 690 CG LYS A 42 -30.286 43.626 -9.487 1.00 0.00 C
ATOM 691 CD LYS A 42 -29.295 44.780 -9.486 1.00 0.00 C
ATOM 692 CE LYS A 42 -29.933 46.058 -10.011 1.00 0.00 C
ATOM 693 NZ LYS A 42 -28.985 47.205 -9.985 1.00 0.00 N
ATOM 694 H LYS A 42 -31.484 41.760 -7.134 1.00 0.00 H
ATOM 695 HA LYS A 42 -30.988 41.005 -9.965 1.00 0.00 H
ATOM 696 1HB LYS A 42 -29.286 42.535 -7.958 1.00 0.00 H
ATOM 697 2HB LYS A 42 -28.772 42.135 -9.591 1.00 0.00 H
ATOM 698 1HG LYS A 42 -30.646 43.468 -10.504 1.00 0.00 H
ATOM 699 2HG LYS A 42 -31.135 43.887 -8.856 1.00 0.00 H
ATOM 700 1HD LYS A 42 -28.938 44.953 -8.470 1.00 0.00 H
ATOM 701 2HD LYS A 42 -28.442 44.528 -10.115 1.00 0.00 H
ATOM 702 1HE LYS A 42 -30.269 45.903 -11.035 1.00 0.00 H
ATOM 703 2HE LYS A 42 -30.802 46.308 -9.402 1.00 0.00 H
ATOM 704 1HZ LYS A 42 -29.445 48.031 -10.339 1.00 0.00 H
ATOM 705 2HZ LYS A 42 -28.681 47.370 -9.036 1.00 0.00 H
ATOM 706 3HZ LYS A 42 -28.184 46.993 -10.562 1.00 0.00 H
ATOM 707 N LEU A 43 -30.201 39.186 -7.567 1.00 0.00 N
ATOM 708 CA LEU A 43 -29.530 37.968 -7.130 1.00 0.00 C
ATOM 709 C LEU A 43 -29.679 36.856 -8.160 1.00 0.00 C
ATOM 710 O LEU A 43 -30.794 36.466 -8.510 1.00 0.00 O
ATOM 711 CB LEU A 43 -30.097 37.504 -5.782 1.00 0.00 C
ATOM 712 CG LEU A 43 -29.433 36.263 -5.172 1.00 0.00 C
ATOM 713 CD1 LEU A 43 -27.987 36.582 -4.819 1.00 0.00 C
ATOM 714 CD2 LEU A 43 -30.213 35.823 -3.942 1.00 0.00 C
ATOM 715 H LEU A 43 -31.004 39.517 -7.051 1.00 0.00 H
ATOM 716 HA LEU A 43 -28.469 38.182 -7.008 1.00 0.00 H
ATOM 717 1HB LEU A 43 -29.999 38.318 -5.065 1.00 0.00 H
ATOM 718 2HB LEU A 43 -31.157 37.285 -5.908 1.00 0.00 H
ATOM 719 HG LEU A 43 -29.427 35.456 -5.906 1.00 0.00 H
ATOM 720 1HD1 LEU A 43 -27.515 35.700 -4.386 1.00 0.00 H
ATOM 721 2HD1 LEU A 43 -27.448 36.875 -5.720 1.00 0.00 H
ATOM 722 3HD1 LEU A 43 -27.960 37.398 -4.098 1.00 0.00 H
ATOM 723 1HD2 LEU A 43 -29.741 34.940 -3.509 1.00 0.00 H
ATOM 724 2HD2 LEU A 43 -30.218 36.628 -3.207 1.00 0.00 H
ATOM 725 3HD2 LEU A 43 -31.237 35.584 -4.227 1.00 0.00 H
ATOM 726 N GLN A 44 -28.551 36.348 -8.644 1.00 0.00 N
ATOM 727 CA GLN A 44 -28.554 35.300 -9.657 1.00 0.00 C
ATOM 728 C GLN A 44 -28.378 33.924 -9.028 1.00 0.00 C
ATOM 729 O GLN A 44 -29.227 33.087 -9.168 1.00 0.00 O
ATOM 730 OXT GLN A 44 -27.391 33.678 -8.391 1.00 0.00 O
ATOM 731 CB GLN A 44 -27.450 35.548 -10.689 1.00 0.00 C
ATOM 732 CG GLN A 44 -27.543 36.893 -11.389 1.00 0.00 C
ATOM 733 CD GLN A 44 -28.813 37.032 -12.207 1.00 0.00 C
ATOM 734 OE1 GLN A 44 -29.097 36.212 -13.084 1.00 0.00 O
ATOM 735 NE2 GLN A 44 -29.587 38.074 -11.924 1.00 0.00 N
ATOM 736 H GLN A 44 -27.667 36.697 -8.300 1.00 0.00 H
ATOM 737 HA GLN A 44 -29.517 35.316 -10.167 1.00 0.00 H
ATOM 738 1HB GLN A 44 -26.477 35.490 -10.201 1.00 0.00 H
ATOM 739 2HB GLN A 44 -27.482 34.769 -11.450 1.00 0.00 H
ATOM 740 1HG GLN A 44 -27.531 37.683 -10.639 1.00 0.00 H
ATOM 741 2HG GLN A 44 -26.691 37.001 -12.060 1.00 0.00 H
ATOM 742 1HE2 GLN A 44 -30.438 38.219 -12.430 1.00 0.00 H
ATOM 743 2HE2 GLN A 44 -29.319 38.715 -11.204 1.00 0.00 H
TER
Raw
T0797_BAKER_ROSETTA_SERVER.pdb
PFRMAT TS
TARGET T0797
MODEL 1
PARENT 4k1pD_101
ATOM 1 N LYS 1 17.732 0.913 0.782 1.00 12.20 N
ATOM 2 CA LYS 1 17.343 2.320 0.827 1.00 12.45 C
ATOM 3 C LYS 1 15.822 2.469 0.762 1.00 11.12 C
ATOM 4 O LYS 1 15.195 2.051 -0.213 1.00 8.23 O
ATOM 5 CB LYS 1 18.027 3.070 -0.318 1.00 18.67 C
ATOM 6 CG LYS 1 17.834 4.582 -0.378 1.00 18.67 C
ATOM 7 CD LYS 1 18.618 5.149 -1.558 1.00 18.67 C
ATOM 8 CE LYS 1 18.479 6.658 -1.698 1.00 18.67 C
ATOM 9 NZ LYS 1 19.287 7.183 -2.835 1.00 18.67 N
ATOM 25 N ASP 2 15.239 3.054 1.805 1.00 14.28 N
ATOM 26 CA ASP 2 13.794 3.239 1.873 1.00 14.07 C
ATOM 27 C ASP 2 13.269 4.153 0.777 1.00 12.14 C
ATOM 28 O ASP 2 12.209 3.879 0.218 1.00 10.21 O
ATOM 29 CB ASP 2 13.392 3.796 3.236 1.00 21.11 C
ATOM 30 CG ASP 2 13.534 2.765 4.348 1.00 21.11 C
ATOM 31 OD1 ASP 2 13.666 1.604 4.042 1.00 21.11 O
ATOM 32 OD2 ASP 2 13.512 3.149 5.492 1.00 21.11 O
ATOM 37 N ALA 3 14.010 5.220 0.481 1.00 13.61 N
ATOM 38 CA ALA 3 13.639 6.163 -0.565 1.00 13.16 C
ATOM 39 C ALA 3 13.583 5.461 -1.914 1.00 9.03 C
ATOM 40 O ALA 3 12.701 5.762 -2.715 1.00 7.53 O
ATOM 41 CB ALA 3 14.616 7.318 -0.602 1.00 19.74 C
ATOM 47 N GLU 4 14.524 4.547 -2.149 1.00 8.38 N
ATOM 48 CA GLU 4 14.581 3.734 -3.353 1.00 5.93 C
ATOM 49 C GLU 4 13.303 2.941 -3.486 1.00 3.87 C
ATOM 50 O GLU 4 12.699 2.926 -4.556 1.00 2.73 O
ATOM 51 CB GLU 4 15.768 2.779 -3.323 1.00 8.89 C
ATOM 52 CG GLU 4 15.924 1.880 -4.531 1.00 8.89 C
ATOM 53 CD GLU 4 17.087 0.940 -4.372 1.00 8.89 C
ATOM 54 OE1 GLU 4 17.798 1.068 -3.401 1.00 8.89 O
ATOM 55 OE2 GLU 4 17.255 0.078 -5.206 1.00 8.89 O
ATOM 62 N LEU 5 12.918 2.277 -2.395 1.00 4.57 N
ATOM 63 CA LEU 5 11.701 1.482 -2.374 1.00 4.37 C
ATOM 64 C LEU 5 10.466 2.335 -2.635 1.00 3.53 C
ATOM 65 O LEU 5 9.535 1.869 -3.295 1.00 2.94 O
ATOM 66 CB LEU 5 11.575 0.791 -1.018 1.00 6.55 C
ATOM 67 CG LEU 5 12.616 -0.295 -0.739 1.00 6.55 C
ATOM 68 CD1 LEU 5 12.469 -0.756 0.705 1.00 6.55 C
ATOM 69 CD2 LEU 5 12.417 -1.439 -1.721 1.00 6.55 C
ATOM 81 N GLN 6 10.454 3.563 -2.112 1.00 4.55 N
ATOM 82 CA GLN 6 9.358 4.488 -2.355 1.00 4.86 C
ATOM 83 C GLN 6 9.279 4.839 -3.834 1.00 2.98 C
ATOM 84 O GLN 6 8.178 4.919 -4.380 1.00 2.52 O
ATOM 85 CB GLN 6 9.530 5.753 -1.512 1.00 7.29 C
ATOM 86 CG GLN 6 9.329 5.540 -0.023 1.00 7.29 C
ATOM 87 CD GLN 6 9.639 6.782 0.790 1.00 7.29 C
ATOM 88 OE1 GLN 6 10.392 7.660 0.358 1.00 7.29 O
ATOM 89 NE2 GLN 6 9.057 6.863 1.981 1.00 7.29 N
ATOM 98 N GLU 7 10.438 5.056 -4.463 1.00 2.88 N
ATOM 99 CA GLU 7 10.504 5.335 -5.891 1.00 2.53 C
ATOM 100 C GLU 7 10.047 4.131 -6.698 1.00 1.11 C
ATOM 101 O GLU 7 9.395 4.299 -7.726 1.00 1.26 O
ATOM 102 CB GLU 7 11.924 5.730 -6.299 1.00 3.79 C
ATOM 103 CG GLU 7 12.368 7.089 -5.780 1.00 3.79 C
ATOM 104 CD GLU 7 13.796 7.413 -6.121 1.00 3.79 C
ATOM 105 OE1 GLU 7 14.488 6.548 -6.602 1.00 3.79 O
ATOM 106 OE2 GLU 7 14.196 8.533 -5.905 1.00 3.79 O
ATOM 113 N ARG 8 10.391 2.926 -6.246 1.00 0.91 N
ATOM 114 CA ARG 8 9.945 1.722 -6.922 1.00 1.40 C
ATOM 115 C ARG 8 8.431 1.620 -6.862 1.00 1.19 C
ATOM 116 O ARG 8 7.822 1.250 -7.865 1.00 2.07 O
ATOM 117 CB ARG 8 10.595 0.490 -6.309 1.00 2.10 C
ATOM 118 CG ARG 8 12.080 0.371 -6.614 1.00 2.10 C
ATOM 119 CD ARG 8 12.705 -0.837 -6.022 1.00 2.10 C
ATOM 120 NE ARG 8 14.141 -0.843 -6.253 1.00 2.10 N
ATOM 121 CZ ARG 8 14.759 -1.275 -7.367 1.00 2.10 C
ATOM 122 NH1 ARG 8 14.068 -1.765 -8.374 1.00 2.10 N
ATOM 123 NH2 ARG 8 16.076 -1.195 -7.424 1.00 2.10 N
ATOM 137 N GLU 9 7.834 1.976 -5.719 1.00 1.16 N
ATOM 138 CA GLU 9 6.384 1.960 -5.600 1.00 2.18 C
ATOM 139 C GLU 9 5.773 3.018 -6.495 1.00 1.05 C
ATOM 140 O GLU 9 4.721 2.763 -7.075 1.00 1.35 O
ATOM 141 CB GLU 9 5.924 2.185 -4.165 1.00 3.27 C
ATOM 142 CG GLU 9 4.408 2.140 -4.028 1.00 3.27 C
ATOM 143 CD GLU 9 3.813 0.797 -4.359 1.00 3.27 C
ATOM 144 OE1 GLU 9 4.493 -0.189 -4.222 1.00 3.27 O
ATOM 145 OE2 GLU 9 2.672 0.757 -4.763 1.00 3.27 O
ATOM 152 N TYR 10 6.398 4.191 -6.574 1.00 0.88 N
ATOM 153 CA TYR 10 5.978 5.248 -7.483 1.00 1.48 C
ATOM 154 C TYR 10 5.900 4.740 -8.914 1.00 1.60 C
ATOM 155 O TYR 10 4.918 5.002 -9.611 1.00 2.80 O
ATOM 156 CB TYR 10 6.919 6.443 -7.405 1.00 2.22 C
ATOM 157 CG TYR 10 6.596 7.484 -8.442 1.00 2.22 C
ATOM 158 CD1 TYR 10 5.543 8.368 -8.260 1.00 2.22 C
ATOM 159 CD2 TYR 10 7.370 7.539 -9.591 1.00 2.22 C
ATOM 160 CE1 TYR 10 5.264 9.309 -9.233 1.00 2.22 C
ATOM 161 CE2 TYR 10 7.091 8.478 -10.559 1.00 2.22 C
ATOM 162 CZ TYR 10 6.043 9.358 -10.385 1.00 2.22 C
ATOM 163 OH TYR 10 5.766 10.288 -11.359 1.00 2.22 O
ATOM 173 N HIS 11 6.943 4.048 -9.363 1.00 1.40 N
ATOM 174 CA HIS 11 6.932 3.509 -10.710 1.00 3.40 C
ATOM 175 C HIS 11 5.885 2.410 -10.849 1.00 2.76 C
ATOM 176 O HIS 11 5.305 2.268 -11.925 1.00 3.11 O
ATOM 177 CB HIS 11 8.331 3.045 -11.108 1.00 5.10 C
ATOM 178 CG HIS 11 9.258 4.205 -11.309 1.00 5.10 C
ATOM 179 ND1 HIS 11 9.087 5.122 -12.326 1.00 5.10 N
ATOM 180 CD2 HIS 11 10.360 4.600 -10.628 1.00 5.10 C
ATOM 181 CE1 HIS 11 10.041 6.033 -12.255 1.00 5.10 C
ATOM 182 NE2 HIS 11 10.824 5.740 -11.235 1.00 5.10 N
ATOM 190 N LEU 12 5.640 1.632 -9.791 1.00 2.65 N
ATOM 191 CA LEU 12 4.562 0.655 -9.838 1.00 3.49 C
ATOM 192 C LEU 12 3.220 1.371 -9.974 1.00 3.15 C
ATOM 193 O LEU 12 2.342 0.853 -10.660 1.00 4.29 O
ATOM 194 CB LEU 12 4.570 -0.233 -8.587 1.00 5.24 C
ATOM 195 CG LEU 12 5.743 -1.219 -8.470 1.00 5.24 C
ATOM 196 CD1 LEU 12 5.714 -1.880 -7.100 1.00 5.24 C
ATOM 197 CD2 LEU 12 5.630 -2.263 -9.567 1.00 5.24 C
ATOM 209 N LYS 13 3.057 2.535 -9.333 1.00 2.30 N
ATOM 210 CA LYS 13 1.844 3.334 -9.464 1.00 2.35 C
ATOM 211 C LYS 13 1.682 3.811 -10.898 1.00 2.58 C
ATOM 212 O LYS 13 0.556 3.856 -11.395 1.00 3.32 O
ATOM 213 CB LYS 13 1.857 4.542 -8.523 1.00 3.53 C
ATOM 214 CG LYS 13 1.713 4.238 -7.039 1.00 3.53 C
ATOM 215 CD LYS 13 1.781 5.514 -6.214 1.00 3.53 C
ATOM 216 CE LYS 13 1.640 5.227 -4.726 1.00 3.53 C
ATOM 217 NZ LYS 13 1.713 6.474 -3.915 1.00 3.53 N
ATOM 231 N GLU 14 2.792 4.179 -11.546 1.00 2.55 N
ATOM 232 CA GLU 14 2.757 4.567 -12.953 1.00 3.39 C
ATOM 233 C GLU 14 2.290 3.400 -13.806 1.00 3.95 C
ATOM 234 O GLU 14 1.522 3.594 -14.749 1.00 4.60 O
ATOM 235 CB GLU 14 4.131 5.022 -13.449 1.00 5.08 C
ATOM 236 CG GLU 14 4.648 6.351 -12.923 1.00 5.08 C
ATOM 237 CD GLU 14 6.035 6.623 -13.433 1.00 5.08 C
ATOM 238 OE1 GLU 14 6.742 5.673 -13.674 1.00 5.08 O
ATOM 239 OE2 GLU 14 6.386 7.767 -13.613 1.00 5.08 O
ATOM 246 N LEU 15 2.772 2.200 -13.486 1.00 4.15 N
ATOM 247 CA LEU 15 2.337 1.015 -14.198 1.00 5.27 C
ATOM 248 C LEU 15 0.860 0.748 -13.955 1.00 5.24 C
ATOM 249 O LEU 15 0.176 0.343 -14.891 1.00 6.23 O
ATOM 250 CB LEU 15 3.180 -0.187 -13.769 1.00 7.90 C
ATOM 251 CG LEU 15 4.644 -0.133 -14.220 1.00 7.90 C
ATOM 252 CD1 LEU 15 5.414 -1.276 -13.582 1.00 7.90 C
ATOM 253 CD2 LEU 15 4.696 -0.220 -15.736 1.00 7.90 C
ATOM 265 N ARG 16 0.373 0.971 -12.729 1.00 4.36 N
ATOM 266 CA ARG 16 -1.045 0.809 -12.425 1.00 4.77 C
ATOM 267 C ARG 16 -1.878 1.758 -13.272 1.00 4.44 C
ATOM 268 O ARG 16 -2.942 1.363 -13.754 1.00 4.72 O
ATOM 269 CB ARG 16 -1.345 1.059 -10.953 1.00 7.15 C
ATOM 270 CG ARG 16 -0.825 0.026 -9.964 1.00 7.15 C
ATOM 271 CD ARG 16 -1.313 0.315 -8.591 1.00 7.15 C
ATOM 272 NE ARG 16 -0.746 -0.575 -7.586 1.00 7.15 N
ATOM 273 CZ ARG 16 0.296 -0.260 -6.789 1.00 7.15 C
ATOM 274 NH1 ARG 16 0.879 0.910 -6.872 1.00 7.15 N
ATOM 275 NH2 ARG 16 0.769 -1.102 -5.890 1.00 7.15 N
ATOM 289 N GLU 17 -1.408 3.000 -13.418 1.00 4.10 N
ATOM 290 CA GLU 17 -2.047 3.994 -14.270 1.00 3.83 C
ATOM 291 C GLU 17 -2.155 3.492 -15.695 1.00 4.08 C
ATOM 292 O GLU 17 -3.220 3.603 -16.305 1.00 4.53 O
ATOM 293 CB GLU 17 -1.282 5.317 -14.261 1.00 5.75 C
ATOM 294 CG GLU 17 -1.913 6.378 -15.149 1.00 5.75 C
ATOM 295 CD GLU 17 -1.177 7.690 -15.157 1.00 5.75 C
ATOM 296 OE1 GLU 17 -0.268 7.858 -14.381 1.00 5.75 O
ATOM 297 OE2 GLU 17 -1.520 8.526 -15.962 1.00 5.75 O
ATOM 304 N GLN 18 -1.046 2.977 -16.219 1.00 4.09 N
ATOM 305 CA GLN 18 -1.018 2.438 -17.567 1.00 4.44 C
ATOM 306 C GLN 18 -1.977 1.269 -17.719 1.00 4.54 C
ATOM 307 O GLN 18 -2.659 1.189 -18.738 1.00 4.73 O
ATOM 308 CB GLN 18 0.400 2.004 -17.928 1.00 6.66 C
ATOM 309 CG GLN 18 1.366 3.162 -18.102 1.00 6.66 C
ATOM 310 CD GLN 18 2.785 2.703 -18.371 1.00 6.66 C
ATOM 311 OE1 GLN 18 3.084 1.506 -18.343 1.00 6.66 O
ATOM 312 NE2 GLN 18 3.672 3.656 -18.635 1.00 6.66 N
ATOM 321 N LEU 19 -2.032 0.382 -16.723 1.00 4.55 N
ATOM 322 CA LEU 19 -2.946 -0.750 -16.738 1.00 4.62 C
ATOM 323 C LEU 19 -4.395 -0.297 -16.740 1.00 4.59 C
ATOM 324 O LEU 19 -5.232 -0.932 -17.383 1.00 4.32 O
ATOM 325 CB LEU 19 -2.686 -1.643 -15.521 1.00 6.93 C
ATOM 326 CG LEU 19 -1.367 -2.424 -15.524 1.00 6.93 C
ATOM 327 CD1 LEU 19 -1.173 -3.080 -14.164 1.00 6.93 C
ATOM 328 CD2 LEU 19 -1.413 -3.469 -16.627 1.00 6.93 C
ATOM 340 N ALA 20 -4.692 0.772 -15.999 1.00 4.84 N
ATOM 341 CA ALA 20 -6.025 1.350 -15.976 1.00 5.32 C
ATOM 342 C ALA 20 -6.379 1.889 -17.351 1.00 5.53 C
ATOM 343 O ALA 20 -7.497 1.680 -17.818 1.00 6.12 O
ATOM 344 CB ALA 20 -6.115 2.449 -14.933 1.00 7.98 C
ATOM 350 N LYS 21 -5.435 2.582 -17.989 1.00 5.42 N
ATOM 351 CA LYS 21 -5.653 3.112 -19.327 1.00 5.64 C
ATOM 352 C LYS 21 -5.856 2.000 -20.343 1.00 4.30 C
ATOM 353 O LYS 21 -6.677 2.152 -21.251 1.00 3.51 O
ATOM 354 CB LYS 21 -4.480 4.008 -19.713 1.00 8.46 C
ATOM 355 CG LYS 21 -4.472 5.317 -18.936 1.00 8.46 C
ATOM 356 CD LYS 21 -3.281 6.197 -19.278 1.00 8.46 C
ATOM 357 CE LYS 21 -3.361 7.504 -18.506 1.00 8.46 C
ATOM 358 NZ LYS 21 -2.180 8.377 -18.741 1.00 8.46 N
ATOM 372 N GLN 22 -5.110 0.906 -20.196 1.00 4.31 N
ATOM 373 CA GLN 22 -5.268 -0.254 -21.056 1.00 3.62 C
ATOM 374 C GLN 22 -6.629 -0.884 -20.840 1.00 3.13 C
ATOM 375 O GLN 22 -7.256 -1.288 -21.816 1.00 2.59 O
ATOM 376 CB GLN 22 -4.164 -1.280 -20.802 1.00 5.43 C
ATOM 377 CG GLN 22 -2.792 -0.840 -21.280 1.00 5.43 C
ATOM 378 CD GLN 22 -1.701 -1.823 -20.911 1.00 5.43 C
ATOM 379 OE1 GLN 22 -1.896 -2.710 -20.077 1.00 5.43 O
ATOM 380 NE2 GLN 22 -0.539 -1.669 -21.536 1.00 5.43 N
ATOM 389 N THR 23 -7.075 -0.963 -19.583 1.00 3.61 N
ATOM 390 CA THR 23 -8.386 -1.498 -19.241 1.00 3.55 C
ATOM 391 C THR 23 -9.476 -0.689 -19.921 1.00 2.97 C
ATOM 392 O THR 23 -10.436 -1.267 -20.435 1.00 2.80 O
ATOM 393 CB THR 23 -8.615 -1.487 -17.717 1.00 5.32 C
ATOM 394 OG1 THR 23 -7.632 -2.312 -17.075 1.00 5.32 O
ATOM 395 CG2 THR 23 -10.006 -2.006 -17.399 1.00 5.32 C
ATOM 403 N VAL 24 -9.336 0.638 -19.890 1.00 3.12 N
ATOM 404 CA VAL 24 -10.266 1.529 -20.565 1.00 3.03 C
ATOM 405 C VAL 24 -10.264 1.291 -22.062 1.00 2.55 C
ATOM 406 O VAL 24 -11.338 1.243 -22.654 1.00 2.35 O
ATOM 407 CB VAL 24 -9.941 3.005 -20.287 1.00 4.54 C
ATOM 408 CG1 VAL 24 -10.791 3.890 -21.186 1.00 4.54 C
ATOM 409 CG2 VAL 24 -10.244 3.325 -18.832 1.00 4.54 C
ATOM 419 N ALA 25 -9.078 1.166 -22.663 1.00 2.52 N
ATOM 420 CA ALA 25 -8.974 0.892 -24.089 1.00 2.24 C
ATOM 421 C ALA 25 -9.689 -0.406 -24.437 1.00 1.88 C
ATOM 422 O ALA 25 -10.380 -0.456 -25.453 1.00 1.83 O
ATOM 423 CB ALA 25 -7.515 0.818 -24.507 1.00 3.36 C
ATOM 429 N ILE 26 -9.522 -1.437 -23.609 1.00 1.85 N
ATOM 430 CA ILE 26 -10.194 -2.716 -23.782 1.00 1.73 C
ATOM 431 C ILE 26 -11.701 -2.550 -23.721 1.00 1.57 C
ATOM 432 O ILE 26 -12.413 -3.166 -24.514 1.00 1.42 O
ATOM 433 CB ILE 26 -9.738 -3.730 -22.723 1.00 2.59 C
ATOM 434 CG1 ILE 26 -8.278 -4.113 -22.969 1.00 2.59 C
ATOM 435 CG2 ILE 26 -10.641 -4.953 -22.757 1.00 2.59 C
ATOM 436 CD1 ILE 26 -7.656 -4.861 -21.813 1.00 2.59 C
ATOM 448 N ALA 27 -12.179 -1.771 -22.750 1.00 1.76 N
ATOM 449 CA ALA 27 -13.597 -1.479 -22.618 1.00 1.75 C
ATOM 450 C ALA 27 -14.122 -0.774 -23.864 1.00 1.46 C
ATOM 451 O ALA 27 -15.219 -1.091 -24.320 1.00 1.31 O
ATOM 452 CB ALA 27 -13.848 -0.631 -21.383 1.00 2.62 C
ATOM 458 N GLU 28 -13.350 0.176 -24.400 1.00 1.51 N
ATOM 459 CA GLU 28 -13.731 0.886 -25.614 1.00 1.43 C
ATOM 460 C GLU 28 -13.821 -0.068 -26.794 1.00 1.12 C
ATOM 461 O GLU 28 -14.773 0.010 -27.571 1.00 1.01 O
ATOM 462 CB GLU 28 -12.723 1.997 -25.920 1.00 2.15 C
ATOM 463 CG GLU 28 -12.754 3.182 -24.964 1.00 2.15 C
ATOM 464 CD GLU 28 -11.667 4.182 -25.245 1.00 2.15 C
ATOM 465 OE1 GLU 28 -10.786 3.875 -26.011 1.00 2.15 O
ATOM 466 OE2 GLU 28 -11.722 5.259 -24.698 1.00 2.15 O
ATOM 473 N LEU 29 -12.839 -0.964 -26.907 1.00 1.15 N
ATOM 474 CA LEU 29 -12.811 -1.970 -27.956 1.00 1.07 C
ATOM 475 C LEU 29 -13.982 -2.924 -27.820 1.00 1.09 C
ATOM 476 O LEU 29 -14.539 -3.344 -28.834 1.00 1.66 O
ATOM 477 CB LEU 29 -11.493 -2.745 -27.891 1.00 1.60 C
ATOM 478 CG LEU 29 -10.241 -1.956 -28.291 1.00 1.60 C
ATOM 479 CD1 LEU 29 -9.005 -2.785 -27.972 1.00 1.60 C
ATOM 480 CD2 LEU 29 -10.316 -1.630 -29.774 1.00 1.60 C
ATOM 492 N THR 30 -14.343 -3.255 -26.580 1.00 0.87 N
ATOM 493 CA THR 30 -15.477 -4.114 -26.295 1.00 0.94 C
ATOM 494 C THR 30 -16.747 -3.449 -26.786 1.00 0.76 C
ATOM 495 O THR 30 -17.574 -4.117 -27.405 1.00 0.70 O
ATOM 496 CB THR 30 -15.597 -4.410 -24.789 1.00 1.41 C
ATOM 497 OG1 THR 30 -14.420 -5.092 -24.337 1.00 1.41 O
ATOM 498 CG2 THR 30 -16.822 -5.273 -24.537 1.00 1.41 C
ATOM 506 N GLU 31 -16.897 -2.154 -26.512 1.00 0.79 N
ATOM 507 CA GLU 31 -18.054 -1.408 -26.981 1.00 0.77 C
ATOM 508 C GLU 31 -18.095 -1.344 -28.500 1.00 0.72 C
ATOM 509 O GLU 31 -19.187 -1.359 -29.072 1.00 0.67 O
ATOM 510 CB GLU 31 -18.061 -0.002 -26.390 1.00 1.16 C
ATOM 511 CG GLU 31 -18.349 0.035 -24.896 1.00 1.16 C
ATOM 512 CD GLU 31 -18.303 1.422 -24.321 1.00 1.16 C
ATOM 513 OE1 GLU 31 -17.956 2.333 -25.035 1.00 1.16 O
ATOM 514 OE2 GLU 31 -18.619 1.575 -23.164 1.00 1.16 O
ATOM 521 N GLU 32 -16.932 -1.239 -29.149 1.00 0.91 N
ATOM 522 CA GLU 32 -16.896 -1.272 -30.604 1.00 0.99 C
ATOM 523 C GLU 32 -17.389 -2.621 -31.106 1.00 0.93 C
ATOM 524 O GLU 32 -18.137 -2.666 -32.082 1.00 1.37 O
ATOM 525 CB GLU 32 -15.487 -1.008 -31.139 1.00 1.48 C
ATOM 526 CG GLU 32 -14.983 0.415 -30.959 1.00 1.48 C
ATOM 527 CD GLU 32 -13.580 0.600 -31.464 1.00 1.48 C
ATOM 528 OE1 GLU 32 -12.972 -0.373 -31.842 1.00 1.48 O
ATOM 529 OE2 GLU 32 -13.117 1.717 -31.479 1.00 1.48 O
ATOM 536 N LEU 33 -16.976 -3.705 -30.448 1.00 0.81 N
ATOM 537 CA LEU 33 -17.434 -5.038 -30.809 1.00 0.96 C
ATOM 538 C LEU 33 -18.931 -5.186 -30.588 1.00 0.69 C
ATOM 539 O LEU 33 -19.594 -5.859 -31.377 1.00 0.92 O
ATOM 540 CB LEU 33 -16.682 -6.090 -29.990 1.00 1.44 C
ATOM 541 CG LEU 33 -15.197 -6.243 -30.329 1.00 1.44 C
ATOM 542 CD1 LEU 33 -14.544 -7.172 -29.316 1.00 1.44 C
ATOM 543 CD2 LEU 33 -15.071 -6.788 -31.743 1.00 1.44 C
ATOM 555 N GLN 34 -19.452 -4.573 -29.523 1.00 0.51 N
ATOM 556 CA GLN 34 -20.880 -4.587 -29.252 1.00 0.60 C
ATOM 557 C GLN 34 -21.624 -3.871 -30.364 1.00 0.59 C
ATOM 558 O GLN 34 -22.660 -4.362 -30.806 1.00 0.67 O
ATOM 559 CB GLN 34 -21.187 -3.929 -27.903 1.00 0.90 C
ATOM 560 CG GLN 34 -20.734 -4.722 -26.690 1.00 0.90 C
ATOM 561 CD GLN 34 -20.934 -3.967 -25.390 1.00 0.90 C
ATOM 562 OE1 GLN 34 -21.043 -2.737 -25.371 1.00 0.90 O
ATOM 563 NE2 GLN 34 -20.988 -4.706 -24.287 1.00 0.90 N
ATOM 572 N SER 35 -21.093 -2.727 -30.806 1.00 0.81 N
ATOM 573 CA SER 35 -21.673 -1.969 -31.904 1.00 1.33 C
ATOM 574 C SER 35 -21.686 -2.802 -33.178 1.00 1.32 C
ATOM 575 O SER 35 -22.654 -2.745 -33.937 1.00 1.71 O
ATOM 576 CB SER 35 -20.897 -0.684 -32.132 1.00 2.00 C
ATOM 577 OG SER 35 -21.010 0.180 -31.035 1.00 2.00 O
ATOM 583 N LYS 36 -20.604 -3.548 -33.417 1.00 1.36 N
ATOM 584 CA LYS 36 -20.516 -4.434 -34.567 1.00 1.89 C
ATOM 585 C LYS 36 -21.551 -5.547 -34.486 1.00 1.26 C
ATOM 586 O LYS 36 -22.120 -5.908 -35.518 1.00 1.55 O
ATOM 587 CB LYS 36 -19.104 -5.013 -34.676 1.00 2.83 C
ATOM 588 CG LYS 36 -18.060 -3.989 -35.104 1.00 2.83 C
ATOM 589 CD LYS 36 -16.658 -4.578 -35.167 1.00 2.83 C
ATOM 590 CE LYS 36 -15.651 -3.519 -35.597 1.00 2.83 C
ATOM 591 NZ LYS 36 -14.261 -4.050 -35.660 1.00 2.83 N
ATOM 605 N CYS 37 -21.789 -6.088 -33.288 1.00 0.96 N
ATOM 606 CA CYS 37 -22.811 -7.110 -33.092 1.00 1.31 C
ATOM 607 C CYS 37 -24.200 -6.544 -33.355 1.00 1.35 C
ATOM 608 O CYS 37 -25.051 -7.247 -33.899 1.00 2.11 O
ATOM 609 CB CYS 37 -22.750 -7.679 -31.675 1.00 1.97 C
ATOM 610 SG CYS 37 -21.289 -8.694 -31.350 1.00 1.97 S
ATOM 616 N ILE 38 -24.428 -5.293 -32.952 1.00 1.02 N
ATOM 617 CA ILE 38 -25.683 -4.607 -33.220 1.00 1.43 C
ATOM 618 C ILE 38 -25.886 -4.457 -34.717 1.00 1.50 C
ATOM 619 O ILE 38 -26.985 -4.712 -35.211 1.00 2.05 O
ATOM 620 CB ILE 38 -25.730 -3.230 -32.541 1.00 2.15 C
ATOM 621 CG1 ILE 38 -25.786 -3.407 -31.022 1.00 2.15 C
ATOM 622 CG2 ILE 38 -26.926 -2.448 -33.054 1.00 2.15 C
ATOM 623 CD1 ILE 38 -25.538 -2.130 -30.253 1.00 2.15 C
ATOM 635 N GLN 39 -24.838 -4.032 -35.422 1.00 1.30 N
ATOM 636 CA GLN 39 -24.922 -3.903 -36.866 1.00 1.84 C
ATOM 637 C GLN 39 -25.154 -5.251 -37.522 1.00 2.20 C
ATOM 638 O GLN 39 -25.892 -5.313 -38.502 1.00 2.87 O
ATOM 639 CB GLN 39 -23.657 -3.271 -37.431 1.00 2.76 C
ATOM 640 CG GLN 39 -23.728 -3.013 -38.926 1.00 2.76 C
ATOM 641 CD GLN 39 -24.812 -2.014 -39.287 1.00 2.76 C
ATOM 642 OE1 GLN 39 -24.944 -0.961 -38.657 1.00 2.76 O
ATOM 643 NE2 GLN 39 -25.592 -2.336 -40.313 1.00 2.76 N
ATOM 652 N LEU 40 -24.529 -6.308 -37.007 1.00 2.11 N
ATOM 653 CA LEU 40 -24.758 -7.653 -37.508 1.00 3.07 C
ATOM 654 C LEU 40 -26.225 -8.012 -37.373 1.00 3.36 C
ATOM 655 O LEU 40 -26.793 -8.577 -38.303 1.00 4.27 O
ATOM 656 CB LEU 40 -23.903 -8.681 -36.776 1.00 4.60 C
ATOM 657 CG LEU 40 -24.124 -10.121 -37.250 1.00 4.60 C
ATOM 658 CD1 LEU 40 -23.777 -10.213 -38.730 1.00 4.60 C
ATOM 659 CD2 LEU 40 -23.254 -11.057 -36.425 1.00 4.60 C
ATOM 671 N ASN 41 -26.821 -7.721 -36.219 1.00 3.11 N
ATOM 672 CA ASN 41 -28.239 -7.971 -36.011 1.00 3.84 C
ATOM 673 C ASN 41 -29.086 -7.177 -37.002 1.00 3.89 C
ATOM 674 O ASN 41 -30.116 -7.670 -37.463 1.00 4.78 O
ATOM 675 CB ASN 41 -28.622 -7.641 -34.583 1.00 5.76 C
ATOM 676 CG ASN 41 -28.108 -8.659 -33.605 1.00 5.76 C
ATOM 677 OD1 ASN 41 -27.803 -9.800 -33.971 1.00 5.76 O
ATOM 678 ND2 ASN 41 -28.006 -8.267 -32.360 1.00 5.76 N
ATOM 685 N LYS 42 -28.679 -5.943 -37.315 1.00 3.29 N
ATOM 686 CA LYS 42 -29.373 -5.148 -38.324 1.00 3.76 C
ATOM 687 C LYS 42 -29.272 -5.798 -39.706 1.00 4.38 C
ATOM 688 O LYS 42 -30.224 -5.754 -40.487 1.00 5.29 O
ATOM 689 CB LYS 42 -28.796 -3.732 -38.389 1.00 5.64 C
ATOM 690 CG LYS 42 -29.089 -2.846 -37.189 1.00 5.64 C
ATOM 691 CD LYS 42 -28.441 -1.480 -37.364 1.00 5.64 C
ATOM 692 CE LYS 42 -28.716 -0.568 -36.178 1.00 5.64 C
ATOM 693 NZ LYS 42 -28.064 0.762 -36.342 1.00 5.64 N
ATOM 707 N LEU 43 -28.107 -6.372 -40.010 1.00 4.25 N
ATOM 708 CA LEU 43 -27.858 -7.085 -41.258 1.00 5.25 C
ATOM 709 C LEU 43 -28.597 -8.420 -41.358 1.00 6.22 C
ATOM 710 O LEU 43 -28.982 -8.831 -42.454 1.00 7.52 O
ATOM 711 CB LEU 43 -26.348 -7.327 -41.393 1.00 7.88 C
ATOM 712 CG LEU 43 -25.492 -6.072 -41.611 1.00 7.88 C
ATOM 713 CD1 LEU 43 -24.021 -6.454 -41.523 1.00 7.88 C
ATOM 714 CD2 LEU 43 -25.823 -5.467 -42.965 1.00 7.88 C
ATOM 726 N GLN 44 -28.773 -9.099 -40.223 1.00 6.03 N
ATOM 727 CA GLN 44 -29.464 -10.381 -40.150 1.00 7.43 C
ATOM 728 C GLN 44 -30.939 -10.249 -39.776 1.00 6.64 C
ATOM 729 O GLN 44 -31.786 -10.141 -40.664 1.00 14.28 O
ATOM 730 OXT GLN 44 -31.288 -10.680 -38.677 1.00 0.00 O
ATOM 731 CB GLN 44 -28.755 -11.281 -39.133 1.00 11.14 C
ATOM 732 CG GLN 44 -27.308 -11.600 -39.477 1.00 11.14 C
ATOM 733 CD GLN 44 -27.182 -12.430 -40.739 1.00 11.14 C
ATOM 734 OE1 GLN 44 -27.808 -13.487 -40.856 1.00 11.14 O
ATOM 735 NE2 GLN 44 -26.378 -11.965 -41.689 1.00 11.14 N
TER 744
END
Raw
T0797_native.pdb
REMARK T0797
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.657
REMARK 3 FREE R VALUE : 0.2510
CRYST1 136.007 136.007 76.997 90.00 90.00 90.00 P 43 21 2
ATOM 2591 O ARG 8 -63.928 -17.336 -21.123 1.00 94.68 O
ATOM 2592 N ARG 8 -64.504 -20.511 -21.773 1.00105.38 N
ATOM 2593 CA ARG 8 -65.174 -19.226 -21.929 1.00103.64 C
ATOM 2594 C ARG 8 -64.716 -18.244 -20.857 1.00107.20 C
ATOM 2595 CB ARG 8 -66.693 -19.404 -21.864 1.00103.25 C
ATOM 2596 O GLU 9 -62.935 -17.435 -17.100 1.00116.97 O
ATOM 2597 N GLU 9 -65.218 -18.436 -19.642 1.00122.96 N
ATOM 2598 CA GLU 9 -64.861 -17.577 -18.521 1.00121.87 C
ATOM 2599 C GLU 9 -63.696 -18.165 -17.734 1.00122.14 C
ATOM 2600 CB GLU 9 -66.067 -17.370 -17.601 1.00123.29 C
ATOM 2601 O TYR 10 -60.119 -19.946 -16.965 1.00114.98 O
ATOM 2602 N TYR 10 -63.560 -19.487 -17.785 1.00128.48 N
ATOM 2603 CA TYR 10 -62.505 -20.183 -17.053 1.00122.22 C
ATOM 2604 C TYR 10 -61.132 -19.917 -17.663 1.00109.68 C
ATOM 2605 CB TYR 10 -62.777 -21.690 -17.013 1.00121.23 C
ATOM 2606 CG TYR 10 -61.992 -22.435 -15.953 1.00125.15 C
ATOM 2607 CD1 TYR 10 -60.746 -22.984 -16.235 1.00130.00 C
ATOM 2608 CD2 TYR 10 -62.500 -22.592 -14.669 1.00131.01 C
ATOM 2609 CE1 TYR 10 -60.028 -23.666 -15.266 1.00137.87 C
ATOM 2610 CE2 TYR 10 -61.790 -23.272 -13.695 1.00137.90 C
ATOM 2611 CZ TYR 10 -60.556 -23.807 -13.998 1.00140.83 C
ATOM 2612 OH TYR 10 -59.848 -24.485 -13.030 1.00138.24 O
ATOM 2613 N HIS 11 -61.101 -19.662 -18.967 1.00 90.19 N
ATOM 2614 CA HIS 11 -59.846 -19.371 -19.648 1.00 85.86 C
ATOM 2615 C HIS 11 -59.307 -18.007 -19.228 1.00 89.91 C
ATOM 2616 O HIS 11 -58.110 -17.850 -18.992 1.00 87.10 O
ATOM 2617 CB HIS 11 -60.024 -19.431 -21.168 1.00 69.47 C
ATOM 2618 N LEU 12 -60.202 -17.028 -19.127 1.00 89.61 N
ATOM 2619 CA LEU 12 -59.820 -15.670 -18.749 1.00 84.95 C
ATOM 2620 C LEU 12 -59.275 -15.607 -17.325 1.00 87.14 C
ATOM 2621 O LEU 12 -58.287 -14.921 -17.062 1.00 90.23 O
ATOM 2622 CB LEU 12 -61.006 -14.716 -18.903 1.00 71.59 C
ATOM 2623 N LYS 13 -59.920 -16.324 -16.410 1.00 81.16 N
ATOM 2624 CA LYS 13 -59.483 -16.357 -15.017 1.00 78.26 C
ATOM 2625 C LYS 13 -58.169 -17.118 -14.868 1.00 79.33 C
ATOM 2626 O LYS 13 -57.332 -16.770 -14.036 1.00 75.26 O
ATOM 2627 CB LYS 13 -60.559 -16.982 -14.126 1.00 56.84 C
ATOM 2628 N GLU 14 -57.996 -18.157 -15.679 1.00 81.15 N
ATOM 2629 CA GLU 14 -56.774 -18.951 -15.654 1.00 72.77 C
ATOM 2630 C GLU 14 -55.605 -18.143 -16.202 1.00 69.91 C
ATOM 2631 O GLU 14 -54.482 -18.241 -15.708 1.00 67.00 O
ATOM 2632 CB GLU 14 -56.950 -20.236 -16.463 1.00 76.55 C
ATOM 2633 N LEU 15 -55.881 -17.342 -17.225 1.00 62.23 N
ATOM 2634 CA LEU 15 -54.869 -16.478 -17.820 1.00 60.33 C
ATOM 2635 C LEU 15 -54.355 -15.433 -16.834 1.00 69.24 C
ATOM 2636 O LEU 15 -53.146 -15.241 -16.705 1.00 75.02 O
ATOM 2637 CB LEU 15 -55.420 -15.786 -19.066 1.00 65.72 C
ATOM 2638 CG LEU 15 -55.381 -16.596 -20.361 1.00 70.16 C
ATOM 2639 CD1 LEU 15 -55.883 -15.758 -21.527 1.00 74.79 C
ATOM 2640 CD2 LEU 15 -53.972 -17.104 -20.628 1.00 62.57 C
ATOM 2641 N ARG 16 -55.276 -14.759 -16.148 1.00 56.17 N
ATOM 2642 CA ARG 16 -54.913 -13.723 -15.185 1.00 54.44 C
ATOM 2643 C ARG 16 -54.012 -14.268 -14.083 1.00 58.36 C
ATOM 2644 O ARG 16 -53.071 -13.601 -13.654 1.00 50.46 O
ATOM 2645 CB ARG 16 -56.162 -13.082 -14.572 1.00 64.26 C
ATOM 2646 CG ARG 16 -56.939 -12.182 -15.520 1.00 69.13 C
ATOM 2647 CD ARG 16 -58.135 -11.555 -14.822 1.00 77.06 C
ATOM 2648 NE ARG 16 -58.883 -10.663 -15.704 1.00 81.35 N
ATOM 2649 N GLU 17 -54.302 -15.485 -13.633 1.00 68.54 N
ATOM 2650 CA GLU 17 -53.499 -16.129 -12.602 1.00 56.58 C
ATOM 2651 C GLU 17 -52.068 -16.321 -13.093 1.00 53.54 C
ATOM 2652 O GLU 17 -51.114 -16.082 -12.353 1.00 53.36 O
ATOM 2653 CB GLU 17 -54.114 -17.471 -12.202 1.00 57.01 C
ATOM 2654 CG GLU 17 -53.461 -18.123 -10.992 1.00 70.77 C
ATOM 2655 CD GLU 17 -54.169 -19.395 -10.559 1.00 89.52 C
ATOM 2656 OE1 GLU 17 -53.653 -20.082 -9.653 1.00 88.78 O
ATOM 2657 OE2 GLU 17 -55.241 -19.708 -11.121 1.00102.10 O
ATOM 2658 N GLN 18 -51.930 -16.740 -14.349 1.00 49.33 N
ATOM 2659 CA GLN 18 -50.621 -16.907 -14.975 1.00 53.60 C
ATOM 2660 C GLN 18 -49.924 -15.561 -15.128 1.00 62.82 C
ATOM 2661 O GLN 18 -48.726 -15.431 -14.879 1.00 56.97 O
ATOM 2662 CB GLN 18 -50.773 -17.555 -16.351 1.00 47.70 C
ATOM 2663 CG GLN 18 -50.214 -18.967 -16.455 1.00 76.42 C
ATOM 2664 CD GLN 18 -48.701 -19.002 -16.583 1.00 91.46 C
ATOM 2665 OE1 GLN 18 -47.978 -18.568 -15.686 1.00 91.47 O
ATOM 2666 NE2 GLN 18 -48.215 -19.520 -17.706 1.00100.92 N
ATOM 2667 N LEU 19 -50.695 -14.565 -15.547 1.00 58.67 N
ATOM 2668 CA LEU 19 -50.198 -13.209 -15.734 1.00 45.40 C
ATOM 2669 C LEU 19 -49.699 -12.668 -14.403 1.00 48.52 C
ATOM 2670 O LEU 19 -48.635 -12.068 -14.329 1.00 47.97 O
ATOM 2671 CB LEU 19 -51.313 -12.315 -16.290 1.00 59.95 C
ATOM 2672 CG LEU 19 -50.998 -11.388 -17.466 1.00 70.51 C
ATOM 2673 CD1 LEU 19 -49.918 -10.381 -17.104 1.00 74.69 C
ATOM 2674 CD2 LEU 19 -50.608 -12.193 -18.695 1.00 68.16 C
ATOM 2675 N ALA 20 -50.485 -12.894 -13.357 1.00 39.61 N
ATOM 2676 CA ALA 20 -50.148 -12.442 -12.016 1.00 39.12 C
ATOM 2677 C ALA 20 -48.847 -13.076 -11.528 1.00 38.55 C
ATOM 2678 O ALA 20 -47.977 -12.392 -10.987 1.00 44.00 O
ATOM 2679 CB ALA 20 -51.283 -12.750 -11.054 1.00 39.34 C
ATOM 2680 N LYS 21 -48.723 -14.386 -11.708 1.00 43.30 N
ATOM 2681 CA LYS 21 -47.560 -15.113 -11.209 1.00 49.76 C
ATOM 2682 C LYS 21 -46.271 -14.727 -11.931 1.00 41.93 C
ATOM 2683 O LYS 21 -45.213 -14.648 -11.313 1.00 40.39 O
ATOM 2684 CB LYS 21 -47.801 -16.624 -11.261 1.00 36.36 C
ATOM 2685 CG LYS 21 -48.780 -17.111 -10.201 1.00 46.49 C
ATOM 2686 CD LYS 21 -49.087 -18.593 -10.342 1.00 50.45 C
ATOM 2687 CE LYS 21 -50.048 -19.052 -9.261 1.00 51.48 C
ATOM 2688 NZ LYS 21 -50.349 -20.502 -9.371 1.00 78.40 N
ATOM 2689 N GLN 22 -46.366 -14.473 -13.232 1.00 41.10 N
ATOM 2690 CA GLN 22 -45.218 -13.995 -13.994 1.00 43.50 C
ATOM 2691 C GLN 22 -44.783 -12.605 -13.537 1.00 46.24 C
ATOM 2692 O GLN 22 -43.592 -12.304 -13.487 1.00 52.09 O
ATOM 2693 CB GLN 22 -45.523 -13.991 -15.493 1.00 45.48 C
ATOM 2694 CG GLN 22 -45.649 -15.379 -16.099 1.00 58.95 C
ATOM 2695 CD GLN 22 -45.793 -15.351 -17.609 1.00 72.74 C
ATOM 2696 OE1 GLN 22 -45.996 -14.293 -18.209 1.00 64.53 O
ATOM 2697 NE2 GLN 22 -45.685 -16.520 -18.233 1.00 84.12 N
ATOM 2698 N THR 23 -45.755 -11.764 -13.201 1.00 45.99 N
ATOM 2699 CA THR 23 -45.474 -10.425 -12.690 1.00 40.77 C
ATOM 2700 C THR 23 -44.706 -10.496 -11.374 1.00 42.31 C
ATOM 2701 O THR 23 -43.778 -9.724 -11.144 1.00 45.12 O
ATOM 2702 CB THR 23 -46.770 -9.622 -12.480 1.00 34.34 C
ATOM 2703 OG1 THR 23 -47.470 -9.527 -13.724 1.00 34.41 O
ATOM 2704 CG2 THR 23 -46.464 -8.229 -11.971 1.00 35.20 C
ATOM 2705 N VAL 24 -45.094 -11.434 -10.518 1.00 42.81 N
ATOM 2706 CA VAL 24 -44.390 -11.658 -9.262 1.00 42.81 C
ATOM 2707 C VAL 24 -42.955 -12.094 -9.532 1.00 53.62 C
ATOM 2708 O VAL 24 -42.024 -11.661 -8.846 1.00 47.37 O
ATOM 2709 CB VAL 24 -45.093 -12.727 -8.414 1.00 36.48 C
ATOM 2710 CG1 VAL 24 -44.320 -12.986 -7.132 1.00 37.96 C
ATOM 2711 CG2 VAL 24 -46.505 -12.295 -8.101 1.00 37.44 C
ATOM 2712 N ALA 25 -42.787 -12.946 -10.541 1.00 34.60 N
ATOM 2713 CA ALA 25 -41.468 -13.417 -10.943 1.00 45.46 C
ATOM 2714 C ALA 25 -40.595 -12.255 -11.395 1.00 51.16 C
ATOM 2715 O ALA 25 -39.444 -12.130 -10.973 1.00 55.93 O
ATOM 2716 CB ALA 25 -41.591 -14.447 -12.052 1.00 35.14 C
ATOM 2717 N ILE 26 -41.155 -11.409 -12.254 1.00 37.62 N
ATOM 2718 CA ILE 26 -40.444 -10.249 -12.779 1.00 38.58 C
ATOM 2719 C ILE 26 -39.965 -9.325 -11.663 1.00 41.47 C
ATOM 2720 O ILE 26 -38.816 -8.886 -11.664 1.00 45.35 O
ATOM 2721 CB ILE 26 -41.324 -9.467 -13.773 1.00 33.68 C
ATOM 2722 CG1 ILE 26 -41.495 -10.277 -15.059 1.00 45.72 C
ATOM 2723 CG2 ILE 26 -40.719 -8.111 -14.081 1.00 38.35 C
ATOM 2724 CD1 ILE 26 -42.480 -9.695 -16.039 1.00 33.28 C
ATOM 2725 N ALA 27 -40.844 -9.052 -10.704 1.00 34.76 N
ATOM 2726 CA ALA 27 -40.509 -8.176 -9.586 1.00 44.66 C
ATOM 2727 C ALA 27 -39.370 -8.743 -8.739 1.00 46.72 C
ATOM 2728 O ALA 27 -38.512 -7.998 -8.262 1.00 65.52 O
ATOM 2729 CB ALA 27 -41.736 -7.911 -8.728 1.00 35.93 C
ATOM 2730 N GLU 28 -39.363 -10.060 -8.560 1.00 43.26 N
ATOM 2731 C GLU 28 -36.977 -10.662 -8.481 1.00 44.32 C
ATOM 2732 CA GLU 28 -38.324 -10.709 -7.767 1.00 43.58 C
ATOM 2733 O GLU 28 -35.946 -10.430 -7.857 1.00 44.29 O
ATOM 2734 CB GLU 28 -38.704 -12.155 -7.447 1.00 39.57 C
ATOM 2735 CG GLU 28 -37.648 -12.905 -6.646 1.00108.09 C
ATOM 2736 CD GLU 28 -38.095 -14.296 -6.240 1.00109.54 C
ATOM 2737 OE1 GLU 28 -37.236 -15.096 -5.812 1.00118.81 O
ATOM 2738 OE2 GLU 28 -39.305 -14.589 -6.343 1.00104.87 O
ATOM 2739 N LEU 29 -36.996 -10.879 -9.792 1.00 39.23 N
ATOM 2740 C LEU 29 -35.203 -9.418 -10.628 1.00 61.57 C
ATOM 2741 CA LEU 29 -35.780 -10.826 -10.592 1.00 40.81 C
ATOM 2742 O LEU 29 -33.997 -9.228 -10.469 1.00 59.02 O
ATOM 2743 CB LEU 29 -36.054 -11.315 -12.015 1.00 41.31 C
ATOM 2744 CG LEU 29 -36.197 -12.827 -12.181 1.00 40.98 C
ATOM 2745 CD1 LEU 29 -36.475 -13.187 -13.633 1.00 41.43 C
ATOM 2746 CD2 LEU 29 -34.944 -13.521 -11.686 1.00 44.19 C
ATOM 2747 N THR 30 -36.071 -8.433 -10.836 1.00 50.77 N
ATOM 2748 C THR 30 -34.986 -6.586 -9.623 1.00 56.75 C
ATOM 2749 CA THR 30 -35.642 -7.045 -10.922 1.00 51.43 C
ATOM 2750 O THR 30 -33.958 -5.911 -9.645 1.00 57.72 O
ATOM 2751 CB THR 30 -36.818 -6.111 -11.271 1.00 62.97 C
ATOM 2752 OG1 THR 30 -37.388 -6.502 -12.528 1.00 55.41 O
ATOM 2753 CG2 THR 30 -36.345 -4.664 -11.363 1.00 40.01 C
ATOM 2754 N GLU 31 -35.576 -6.967 -8.495 1.00 50.57 N
ATOM 2755 C GLU 31 -33.652 -7.154 -6.992 1.00 63.22 C
ATOM 2756 CA GLU 31 -35.045 -6.577 -7.196 1.00 51.20 C
ATOM 2757 O GLU 31 -32.753 -6.466 -6.512 1.00 78.86 O
ATOM 2758 CB GLU 31 -35.975 -7.027 -6.068 1.00 46.74 C
ATOM 2759 CG GLU 31 -35.558 -6.525 -4.697 1.00 43.88 C
ATOM 2760 CD GLU 31 -36.484 -6.988 -3.592 1.00 89.38 C
ATOM 2761 OE1 GLU 31 -36.784 -6.177 -2.691 1.00 88.93 O
ATOM 2762 OE2 GLU 31 -36.905 -8.162 -3.620 1.00 92.81 O
ATOM 2763 N GLU 32 -33.485 -8.420 -7.364 1.00 63.38 N
ATOM 2764 CA GLU 32 -32.195 -9.088 -7.273 1.00 63.68 C
ATOM 2765 C GLU 32 -31.190 -8.433 -8.213 1.00 68.10 C
ATOM 2766 O GLU 32 -30.024 -8.267 -7.865 1.00 53.11 O
ATOM 2767 CB GLU 32 -32.336 -10.577 -7.605 1.00 65.41 C
ATOM 2768 CG GLU 32 -33.131 -11.381 -6.580 1.00 80.12 C
ATOM 2769 CD GLU 32 -33.221 -12.859 -6.927 1.00 94.57 C
ATOM 2770 OE1 GLU 32 -32.607 -13.273 -7.931 1.00106.20 O
ATOM 2771 OE2 GLU 32 -33.906 -13.608 -6.196 1.00 95.60 O
ATOM 2772 N LEU 33 -31.653 -8.056 -9.401 1.00 59.55 N
ATOM 2773 CA LEU 33 -30.792 -7.429 -10.399 1.00 58.01 C
ATOM 2774 C LEU 33 -30.369 -6.027 -9.961 1.00 72.07 C
ATOM 2775 O LEU 33 -29.244 -5.600 -10.230 1.00 74.16 O
ATOM 2776 CB LEU 33 -31.486 -7.408 -11.762 1.00 48.61 C
ATOM 2777 CG LEU 33 -30.674 -6.998 -12.989 1.00 65.32 C
ATOM 2778 CD1 LEU 33 -29.273 -7.583 -12.947 1.00 55.22 C
ATOM 2779 CD2 LEU 33 -31.394 -7.440 -14.256 1.00 64.85 C
ATOM 2780 N GLN 34 -31.269 -5.326 -9.274 1.00 78.02 N
ATOM 2781 CA GLN 34 -30.936 -4.045 -8.660 1.00 49.83 C
ATOM 2782 C GLN 34 -29.782 -4.210 -7.683 1.00 59.82 C
ATOM 2783 O GLN 34 -28.783 -3.497 -7.759 1.00 65.17 O
ATOM 2784 CB GLN 34 -32.131 -3.471 -7.898 1.00 59.90 C
ATOM 2785 CG GLN 34 -33.176 -2.795 -8.762 1.00 68.71 C
ATOM 2786 CD GLN 34 -33.939 -1.725 -8.004 1.00 74.07 C
ATOM 2787 OE1 GLN 34 -34.510 -0.814 -8.600 1.00 82.40 O
ATOM 2788 NE2 GLN 34 -33.950 -1.832 -6.681 1.00 72.42 N
ATOM 2789 N SER 35 -29.935 -5.156 -6.761 1.00 54.37 N
ATOM 2790 CA SER 35 -28.945 -5.385 -5.718 1.00 61.15 C
ATOM 2791 C SER 35 -27.594 -5.787 -6.301 1.00 67.26 C
ATOM 2792 O SER 35 -26.549 -5.410 -5.776 1.00 76.78 O
ATOM 2793 CB SER 35 -29.439 -6.449 -4.738 1.00 55.43 C
ATOM 2794 OG SER 35 -28.527 -6.608 -3.665 1.00121.15 O
ATOM 2795 N LYS 36 -27.623 -6.545 -7.393 1.00 69.62 N
ATOM 2796 CA LYS 36 -26.398 -7.010 -8.034 1.00 68.70 C
ATOM 2797 C LYS 36 -25.621 -5.853 -8.646 1.00 69.60 C
ATOM 2798 O LYS 36 -24.410 -5.751 -8.471 1.00 81.80 O
ATOM 2799 CB LYS 36 -26.709 -8.054 -9.109 1.00 77.62 C
ATOM 2800 CG LYS 36 -26.187 -9.449 -8.799 1.00 81.36 C
ATOM 2801 CD LYS 36 -26.892 -10.051 -7.597 1.00 79.42 C
ATOM 2802 CE LYS 36 -26.526 -11.514 -7.420 1.00 70.41 C
ATOM 2803 NZ LYS 36 -25.068 -11.696 -7.198 1.00 84.99 N
ATOM 2804 N CYS 37 -26.326 -4.986 -9.365 1.00 71.45 N
ATOM 2805 CA CYS 37 -25.700 -3.835 -10.003 1.00 64.97 C
ATOM 2806 C CYS 37 -25.060 -2.914 -8.976 1.00 76.50 C
ATOM 2807 O CYS 37 -23.959 -2.408 -9.186 1.00 74.44 O
ATOM 2808 CB CYS 37 -26.721 -3.054 -10.832 1.00 61.90 C
ATOM 2809 SG CYS 37 -27.329 -3.921 -12.293 1.00 67.83 S
ATOM 2810 N ILE 38 -25.755 -2.703 -7.863 1.00 64.38 N
ATOM 2811 CA ILE 38 -25.268 -1.808 -6.823 1.00 66.05 C
ATOM 2812 C ILE 38 -23.977 -2.326 -6.200 1.00 70.52 C
ATOM 2813 O ILE 38 -23.008 -1.582 -6.069 1.00112.11 O
ATOM 2814 CB ILE 38 -26.332 -1.576 -5.735 1.00 64.86 C
ATOM 2815 CG1 ILE 38 -27.551 -0.874 -6.338 1.00 63.92 C
ATOM 2816 CG2 ILE 38 -25.763 -0.749 -4.596 1.00 65.18 C
ATOM 2817 CD1 ILE 38 -28.643 -0.573 -5.339 1.00 62.41 C
ATOM 2818 N GLN 39 -23.954 -3.604 -5.837 1.00 83.05 N
ATOM 2819 CA GLN 39 -22.769 -4.187 -5.214 1.00 95.02 C
ATOM 2820 C GLN 39 -21.643 -4.423 -6.220 1.00 93.02 C
ATOM 2821 O GLN 39 -20.497 -4.648 -5.836 1.00102.88 O
ATOM 2822 CB GLN 39 -23.115 -5.488 -4.488 1.00103.56 C
ATOM 2823 CG GLN 39 -23.573 -6.612 -5.398 1.00114.41 C
ATOM 2824 CD GLN 39 -23.859 -7.889 -4.634 1.00127.24 C
ATOM 2825 OE1 GLN 39 -24.657 -8.721 -5.067 1.00132.85 O
ATOM 2826 NE2 GLN 39 -23.207 -8.050 -3.489 1.00132.07 N
ATOM 2827 O LEU 40 -19.056 -3.065 -8.892 1.00 91.90 O
ATOM 2828 N LEU 40 -21.972 -4.377 -7.506 1.00 87.92 N
ATOM 2829 CA LEU 40 -20.962 -4.487 -8.551 1.00 83.58 C
ATOM 2830 C LEU 40 -20.273 -3.137 -8.732 1.00 91.57 C
ATOM 2831 CB LEU 40 -21.600 -4.945 -9.864 1.00 81.47 C
ATOM 2832 CG LEU 40 -20.762 -5.757 -10.859 1.00 89.72 C
ATOM 2833 CD1 LEU 40 -21.655 -6.321 -11.952 1.00 83.28 C
ATOM 2834 CD2 LEU 40 -19.634 -4.939 -11.474 1.00 91.70 C
ATOM 2835 O ASN 41 -18.884 0.589 -7.682 1.00 91.56 O
ATOM 2836 N ASN 41 -21.064 -2.069 -8.705 1.00 96.45 N
ATOM 2837 CA ASN 41 -20.539 -0.714 -8.827 1.00 94.06 C
ATOM 2838 C ASN 41 -19.724 -0.309 -7.608 1.00100.21 C
ATOM 2839 CB ASN 41 -21.675 0.283 -9.050 1.00 80.16 C
ATOM 2840 CG ASN 41 -22.230 0.230 -10.459 1.00 99.77 C
ATOM 2841 OD1 ASN 41 -21.722 0.896 -11.360 1.00108.49 O
ATOM 2842 ND2 ASN 41 -23.281 -0.558 -10.655 1.00 92.27 N
ATOM 2843 O LYS 42 -16.893 -0.995 -4.693 1.00127.22 O
ATOM 2844 N LYS 42 -19.983 -0.976 -6.487 1.00 86.27 N
ATOM 2845 CA LYS 42 -19.212 -0.772 -5.269 1.00102.22 C
ATOM 2846 C LYS 42 -17.809 -1.337 -5.440 1.00112.26 C
ATOM 2847 CB LYS 42 -19.904 -1.438 -4.078 1.00 99.61 C
ATOM 2848 CG LYS 42 -21.163 -0.711 -3.597 1.00 81.54 C
ATOM 2849 O LEU 43 -15.103 -1.020 -7.834 1.00120.44 O
ATOM 2850 N LEU 43 -17.653 -2.211 -6.429 1.00113.06 N
ATOM 2851 CA LEU 43 -16.353 -2.774 -6.773 1.00128.88 C
ATOM 2852 C LEU 43 -15.769 -2.046 -7.980 1.00126.81 C
ATOM 2853 CB LEU 43 -16.473 -4.273 -7.068 1.00129.04 C
ATOM 2854 CG LEU 43 -16.385 -5.277 -5.912 1.00125.42 C
ATOM 2855 CD1 LEU 43 -16.535 -6.696 -6.445 1.00127.00 C
ATOM 2856 CD2 LEU 43 -17.419 -5.002 -4.829 1.00118.42 C
ATOM 2857 O GLN 44 -17.609 -2.229 -11.635 1.00106.92 O
ATOM 2858 N GLN 44 -16.020 -2.584 -9.170 1.00126.70 N
ATOM 2859 CA GLN 44 -15.561 -1.962 -10.406 1.00124.29 C
ATOM 2860 C GLN 44 -16.735 -1.456 -11.240 1.00117.98 C
ATOM 2861 CB GLN 44 -14.720 -2.944 -11.224 1.00127.05 C
TER
END
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