Browse entries in the PDBbind-CN Database
HEADER 5L8O_COMPLEX COMPND 5L8O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 125 PHE THR GLY LYS PHE GLU MET GLU SER GLU LYS ASN TYR SEQRES 2 B 125 ASP GLU PHE MET LYS LEU LEU GLY ILE SER SER ASP VAL SEQRES 3 B 125 ILE GLU LYS ALA ARG ASN PHE LYS ILE VAL THR GLU VAL SEQRES 4 B 125 GLN GLN ASP GLY GLN ASP PHE THR TRP SER GLN HIS TYR SEQRES 5 B 125 SER GLY GLY HIS THR MET THR ASN LYS PHE THR VAL GLY SEQRES 6 B 125 LYS GLU SER ASN ILE GLN THR MET GLY GLY LYS THR PHE SEQRES 7 B 125 LYS ALA THR VAL GLN MET GLU GLY GLY LYS LEU VAL VAL SEQRES 8 B 125 ASN PHE PRO ASN TYR HIS GLN THR SER GLU ILE VAL GLY SEQRES 9 B 125 ASP LYS LEU VAL GLU VAL SER THR ILE GLY GLY VAL THR SEQRES 10 B 125 TYR GLU ARG VAL SER LYS ARG LEU HET CHD A 148 68 ATOM 1 N PHE B 3 75.390 6.207 64.909 1.00 42.06 N ATOM 2 CA PHE B 3 74.735 5.198 65.802 1.00 40.53 C ATOM 3 C PHE B 3 74.620 3.794 65.209 1.00 40.07 C ATOM 4 O PHE B 3 74.491 2.822 65.965 1.00 39.54 O ATOM 5 CB PHE B 3 73.348 5.687 66.236 1.00 40.54 C ATOM 6 CG PHE B 3 73.389 6.720 67.323 1.00 40.08 C ATOM 7 CD1 PHE B 3 73.401 6.339 68.660 1.00 39.92 C ATOM 8 CD2 PHE B 3 73.430 8.075 67.014 1.00 40.05 C ATOM 9 CE1 PHE B 3 73.449 7.291 69.671 1.00 39.88 C ATOM 10 CE2 PHE B 3 73.478 9.031 68.021 1.00 39.91 C ATOM 11 CZ PHE B 3 73.489 8.637 69.351 1.00 39.06 C ATOM 12 HN3 PHE B 3 74.842 6.297 64.029 1.00 0.00 H ATOM 13 HN2 PHE B 3 76.357 5.895 64.687 1.00 0.00 H ATOM 14 HN1 PHE B 3 75.424 7.127 65.393 1.00 0.00 H ATOM 15 N THR B 4 74.668 3.678 63.881 1.00 39.12 N ATOM 16 CA THR B 4 74.486 2.395 63.215 1.00 39.64 C ATOM 17 C THR B 4 75.520 1.370 63.682 1.00 39.79 C ATOM 18 O THR B 4 76.691 1.715 63.877 1.00 40.34 O ATOM 19 CB THR B 4 74.554 2.545 61.684 1.00 39.91 C ATOM 20 OG1 THR B 4 73.538 3.460 61.258 1.00 39.28 O ATOM 21 CG2 THR B 4 74.353 1.196 60.982 1.00 39.54 C ATOM 22 HG1 THR B 4 73.577 3.560 60.274 1.00 0.00 H ATOM 23 H THR B 4 74.840 4.527 63.305 1.00 0.00 H ATOM 24 N GLY B 5 75.063 0.127 63.879 1.00 37.96 N ATOM 25 CA GLY B 5 75.915 -0.973 64.346 1.00 37.80 C ATOM 26 C GLY B 5 75.235 -1.878 65.359 1.00 37.38 C ATOM 27 O GLY B 5 74.078 -1.659 65.727 1.00 35.90 O ATOM 28 H GLY B 5 74.059 -0.068 63.693 1.00 0.00 H ATOM 29 N LYS B 6 75.969 -2.900 65.796 1.00 37.49 N ATOM 30 CA LYS B 6 75.511 -3.846 66.818 1.00 38.39 C ATOM 31 C LYS B 6 76.399 -3.741 68.053 1.00 37.17 C ATOM 32 O LYS B 6 77.615 -3.613 67.924 1.00 37.21 O ATOM 33 CB LYS B 6 75.518 -5.274 66.267 1.00 39.94 C ATOM 34 CG LYS B 6 74.391 -5.523 65.284 1.00 41.85 C ATOM 35 CD LYS B 6 74.614 -6.748 64.409 1.00 44.77 C ATOM 36 CE LYS B 6 73.708 -6.678 63.183 1.00 46.43 C ATOM 37 NZ LYS B 6 73.637 -7.958 62.427 1.00 48.13 N ATOM 38 HZ1 LYS B 6 74.589 -8.218 62.098 1.00 0.00 H ATOM 39 HZ2 LYS B 6 73.267 -8.706 63.048 1.00 0.00 H ATOM 40 HZ3 LYS B 6 73.006 -7.841 61.608 1.00 0.00 H ATOM 41 H LYS B 6 76.917 -3.034 65.391 1.00 0.00 H ATOM 42 N PHE B 7 75.785 -3.793 69.239 1.00 35.83 N ATOM 43 CA PHE B 7 76.481 -3.581 70.511 1.00 35.20 C ATOM 44 C PHE B 7 76.013 -4.581 71.561 1.00 36.06 C ATOM 45 O PHE B 7 74.814 -4.724 71.771 1.00 35.82 O ATOM 46 CB PHE B 7 76.215 -2.170 71.051 1.00 34.20 C ATOM 47 CG PHE B 7 76.463 -1.075 70.060 1.00 33.33 C ATOM 48 CD1 PHE B 7 77.691 -0.427 70.008 1.00 32.95 C ATOM 49 CD2 PHE B 7 75.463 -0.682 69.178 1.00 31.76 C ATOM 50 CE1 PHE B 7 77.917 0.594 69.094 1.00 32.37 C ATOM 51 CE2 PHE B 7 75.687 0.327 68.262 1.00 31.76 C ATOM 52 CZ PHE B 7 76.913 0.970 68.219 1.00 31.60 C ATOM 53 H PHE B 7 74.765 -3.993 69.260 1.00 0.00 H ATOM 54 N GLU B 8 76.953 -5.235 72.242 1.00 37.92 N ATOM 55 CA GLU B 8 76.635 -6.182 73.311 1.00 39.76 C ATOM 56 C GLU B 8 76.887 -5.539 74.661 1.00 39.54 C ATOM 57 O GLU B 8 77.966 -4.994 74.880 1.00 39.60 O ATOM 58 CB GLU B 8 77.493 -7.442 73.185 1.00 42.74 C ATOM 59 CG GLU B 8 77.155 -8.518 74.216 1.00 45.03 C ATOM 60 CD GLU B 8 77.795 -9.868 73.932 1.00 48.32 C ATOM 61 OE1 GLU B 8 78.553 -10.007 72.939 1.00 48.98 O ATOM 62 OE2 GLU B 8 77.531 -10.802 74.723 1.00 50.51 O ATOM 63 H GLU B 8 77.951 -5.066 72.005 1.00 0.00 H ATOM 64 N MET B 9 75.905 -5.627 75.562 1.00 39.72 N ATOM 65 CA MET B 9 76.058 -5.162 76.941 1.00 41.87 C ATOM 66 C MET B 9 77.224 -5.868 77.637 1.00 41.02 C ATOM 67 O MET B 9 77.329 -7.087 77.594 1.00 39.17 O ATOM 68 CB MET B 9 74.771 -5.388 77.743 1.00 44.54 C ATOM 69 CG MET B 9 74.897 -5.054 79.226 1.00 47.96 C ATOM 70 SD MET B 9 73.316 -4.875 80.064 1.00 52.88 S ATOM 71 CE MET B 9 72.626 -6.514 79.851 1.00 52.82 C ATOM 72 H MET B 9 74.996 -6.042 75.272 1.00 0.00 H ATOM 73 N GLU B 10 78.097 -5.076 78.253 1.00 43.35 N ATOM 74 CA GLU B 10 79.238 -5.582 79.032 1.00 45.22 C ATOM 75 C GLU B 10 79.163 -5.199 80.516 1.00 45.27 C ATOM 76 O GLU B 10 79.560 -5.996 81.372 1.00 44.72 O ATOM 77 CB GLU B 10 80.572 -5.135 78.416 1.00 48.10 C ATOM 78 CG GLU B 10 80.736 -3.634 78.194 1.00 51.94 C ATOM 79 CD GLU B 10 82.152 -3.251 77.780 1.00 55.66 C ATOM 80 OE1 GLU B 10 82.822 -4.065 77.102 1.00 58.75 O ATOM 81 OE2 GLU B 10 82.595 -2.132 78.129 1.00 55.47 O ATOM 82 H GLU B 10 77.967 -4.047 78.180 1.00 0.00 H ATOM 83 N SER B 11 78.668 -3.993 80.815 1.00 44.73 N ATOM 84 CA SER B 11 78.446 -3.548 82.195 1.00 44.93 C ATOM 85 C SER B 11 77.212 -2.664 82.337 1.00 45.64 C ATOM 86 O SER B 11 76.741 -2.063 81.366 1.00 44.67 O ATOM 87 CB SER B 11 79.680 -2.808 82.743 1.00 44.93 C ATOM 88 OG SER B 11 80.415 -2.161 81.724 1.00 43.05 O ATOM 89 HG SER B 11 81.196 -1.701 82.123 1.00 0.00 H ATOM 90 H SER B 11 78.431 -3.344 80.037 1.00 0.00 H ATOM 91 N GLU B 12 76.692 -2.605 83.560 1.00 47.33 N ATOM 92 CA GLU B 12 75.641 -1.659 83.912 1.00 49.35 C ATOM 93 C GLU B 12 75.708 -1.249 85.386 1.00 49.51 C ATOM 94 O GLU B 12 76.060 -2.048 86.247 1.00 49.29 O ATOM 95 CB GLU B 12 74.261 -2.210 83.556 1.00 51.20 C ATOM 96 CG GLU B 12 73.859 -3.482 84.288 1.00 53.19 C ATOM 97 CD GLU B 12 72.547 -4.065 83.789 1.00 54.99 C ATOM 98 OE1 GLU B 12 72.216 -5.203 84.192 1.00 59.90 O ATOM 99 OE2 GLU B 12 71.846 -3.397 82.999 1.00 54.65 O ATOM 100 H GLU B 12 77.047 -3.256 84.289 1.00 0.00 H ATOM 101 N LYS B 13 75.343 0.002 85.648 1.00 50.38 N ATOM 102 CA LYS B 13 75.551 0.659 86.928 1.00 51.28 C ATOM 103 C LYS B 13 74.201 1.124 87.476 1.00 50.96 C ATOM 104 O LYS B 13 73.510 1.895 86.824 1.00 52.29 O ATOM 105 CB LYS B 13 76.499 1.838 86.698 1.00 54.07 C ATOM 106 CG LYS B 13 76.989 2.575 87.937 1.00 57.01 C ATOM 107 CD LYS B 13 78.314 3.294 87.669 1.00 58.68 C ATOM 108 CE LYS B 13 78.313 4.740 88.149 1.00 60.74 C ATOM 109 NZ LYS B 13 78.052 4.884 89.610 1.00 61.56 N ATOM 110 HZ1 LYS B 13 77.120 4.481 89.836 1.00 0.00 H ATOM 111 HZ2 LYS B 13 78.788 4.380 90.144 1.00 0.00 H ATOM 112 HZ3 LYS B 13 78.066 5.892 89.866 1.00 0.00 H ATOM 113 H LYS B 13 74.880 0.544 84.891 1.00 0.00 H ATOM 114 N ASN B 14 73.824 0.618 88.652 1.00 51.31 N ATOM 115 CA ASN B 14 72.584 0.991 89.372 1.00 51.55 C ATOM 116 C ASN B 14 71.266 0.553 88.711 1.00 50.48 C ATOM 117 O ASN B 14 70.248 1.242 88.815 1.00 48.47 O ATOM 118 CB ASN B 14 72.549 2.497 89.699 1.00 52.64 C ATOM 119 CG ASN B 14 73.780 2.963 90.456 1.00 55.40 C ATOM 120 OD1 ASN B 14 74.373 2.204 91.229 1.00 58.92 O ATOM 121 ND2 ASN B 14 74.168 4.220 90.250 1.00 55.95 N ATOM 122 HD22 ASN B 14 73.640 4.826 89.590 1.00 0.00 H ATOM 123 HD21 ASN B 14 74.999 4.596 90.749 1.00 0.00 H ATOM 124 H ASN B 14 74.445 -0.089 89.095 1.00 0.00 H ATOM 125 N TYR B 15 71.293 -0.611 88.065 1.00 50.76 N ATOM 126 CA TYR B 15 70.095 -1.240 87.490 1.00 51.46 C ATOM 127 C TYR B 15 69.053 -1.608 88.555 1.00 52.37 C ATOM 128 O TYR B 15 67.852 -1.505 88.306 1.00 50.41 O ATOM 129 CB TYR B 15 70.501 -2.494 86.699 1.00 51.76 C ATOM 130 CG TYR B 15 69.368 -3.221 85.991 1.00 52.51 C ATOM 131 CD1 TYR B 15 68.700 -2.636 84.914 1.00 52.73 C ATOM 132 CD2 TYR B 15 68.982 -4.509 86.381 1.00 53.25 C ATOM 133 CE1 TYR B 15 67.672 -3.300 84.259 1.00 53.67 C ATOM 134 CE2 TYR B 15 67.953 -5.182 85.730 1.00 53.87 C ATOM 135 CZ TYR B 15 67.303 -4.573 84.670 1.00 53.83 C ATOM 136 OH TYR B 15 66.284 -5.229 84.018 1.00 56.07 O ATOM 137 HH TYR B 15 65.934 -4.654 83.292 1.00 0.00 H ATOM 138 H TYR B 15 72.206 -1.099 87.962 1.00 0.00 H ATOM 139 N ASP B 16 69.515 -2.021 89.735 1.00 54.05 N ATOM 140 CA ASP B 16 68.623 -2.499 90.801 1.00 55.82 C ATOM 141 C ASP B 16 67.804 -1.370 91.426 1.00 54.93 C ATOM 142 O ASP B 16 66.576 -1.458 91.492 1.00 50.87 O ATOM 143 CB ASP B 16 69.416 -3.225 91.894 1.00 57.86 C ATOM 144 CG ASP B 16 70.159 -4.434 91.364 1.00 60.11 C ATOM 145 OD1 ASP B 16 71.021 -4.263 90.472 1.00 62.08 O ATOM 146 OD2 ASP B 16 69.869 -5.561 91.817 1.00 61.67 O ATOM 147 H ASP B 16 70.541 -2.005 89.907 1.00 0.00 H ATOM 148 N GLU B 17 68.492 -0.321 91.874 1.00 54.55 N ATOM 149 CA GLU B 17 67.844 0.840 92.497 1.00 55.01 C ATOM 150 C GLU B 17 66.910 1.565 91.525 1.00 56.19 C ATOM 151 O GLU B 17 65.825 2.005 91.911 1.00 55.35 O ATOM 152 CB GLU B 17 68.893 1.818 93.036 1.00 54.95 C ATOM 153 H GLU B 17 69.528 -0.324 91.779 1.00 0.00 H ATOM 154 N PHE B 18 67.343 1.681 90.269 1.00 56.70 N ATOM 155 CA PHE B 18 66.531 2.270 89.201 1.00 55.20 C ATOM 156 C PHE B 18 65.243 1.477 88.974 1.00 55.80 C ATOM 157 O PHE B 18 64.164 2.059 88.847 1.00 55.03 O ATOM 158 CB PHE B 18 67.346 2.343 87.903 1.00 54.59 C ATOM 159 CG PHE B 18 66.598 2.941 86.743 1.00 54.02 C ATOM 160 CD1 PHE B 18 66.548 4.318 86.567 1.00 52.84 C ATOM 161 CD2 PHE B 18 65.943 2.125 85.821 1.00 53.63 C ATOM 162 CE1 PHE B 18 65.855 4.872 85.499 1.00 52.95 C ATOM 163 CE2 PHE B 18 65.250 2.674 84.753 1.00 53.01 C ATOM 164 CZ PHE B 18 65.207 4.049 84.591 1.00 52.36 C ATOM 165 H PHE B 18 68.298 1.339 90.038 1.00 0.00 H ATOM 166 N MET B 19 65.367 0.153 88.926 1.00 57.15 N ATOM 167 CA MET B 19 64.217 -0.724 88.692 1.00 57.82 C ATOM 168 C MET B 19 63.322 -0.874 89.925 1.00 60.44 C ATOM 169 O MET B 19 62.099 -0.964 89.784 1.00 61.20 O ATOM 170 CB MET B 19 64.674 -2.087 88.165 1.00 56.61 C ATOM 171 CG MET B 19 65.203 -2.027 86.737 1.00 56.38 C ATOM 172 SD MET B 19 63.912 -1.823 85.487 1.00 54.57 S ATOM 173 CE MET B 19 63.329 -3.511 85.340 1.00 54.15 C ATOM 174 H MET B 19 66.307 -0.271 89.058 1.00 0.00 H ATOM 175 N LYS B 20 63.917 -0.894 91.118 1.00 63.21 N ATOM 176 CA LYS B 20 63.146 -0.876 92.374 1.00 65.70 C ATOM 177 C LYS B 20 62.374 0.436 92.553 1.00 67.16 C ATOM 178 O LYS B 20 61.252 0.429 93.061 1.00 66.89 O ATOM 179 CB LYS B 20 64.047 -1.140 93.591 1.00 67.30 C ATOM 180 CG LYS B 20 64.439 -2.603 93.748 1.00 69.75 C ATOM 181 CD LYS B 20 65.248 -2.862 95.012 1.00 72.96 C ATOM 182 CE LYS B 20 66.649 -2.272 94.932 1.00 74.48 C ATOM 183 NZ LYS B 20 67.543 -2.787 96.008 1.00 74.84 N ATOM 184 HZ1 LYS B 20 67.143 -2.542 96.936 1.00 0.00 H ATOM 185 HZ2 LYS B 20 67.623 -3.821 95.925 1.00 0.00 H ATOM 186 HZ3 LYS B 20 68.484 -2.356 95.911 1.00 0.00 H ATOM 187 H LYS B 20 64.956 -0.923 91.164 1.00 0.00 H ATOM 188 N LEU B 21 62.974 1.547 92.125 1.00 69.59 N ATOM 189 CA LEU B 21 62.314 2.861 92.126 1.00 71.88 C ATOM 190 C LEU B 21 61.080 2.925 91.211 1.00 72.80 C ATOM 191 O LEU B 21 60.145 3.676 91.489 1.00 74.09 O ATOM 192 CB LEU B 21 63.320 3.953 91.737 1.00 73.48 C ATOM 193 CG LEU B 21 62.870 5.414 91.668 1.00 74.70 C ATOM 194 CD1 LEU B 21 62.187 5.869 92.950 1.00 75.84 C ATOM 195 CD2 LEU B 21 64.083 6.283 91.374 1.00 75.18 C ATOM 196 H LEU B 21 63.951 1.481 91.775 1.00 0.00 H ATOM 197 N LEU B 22 61.084 2.139 90.132 1.00 72.32 N ATOM 198 CA LEU B 22 59.926 2.007 89.232 1.00 72.79 C ATOM 199 C LEU B 22 58.894 0.951 89.674 1.00 72.80 C ATOM 200 O LEU B 22 57.958 0.656 88.924 1.00 69.41 O ATOM 201 CB LEU B 22 60.402 1.689 87.804 1.00 72.63 C ATOM 202 CG LEU B 22 61.204 2.780 87.090 1.00 73.24 C ATOM 203 CD1 LEU B 22 61.794 2.232 85.797 1.00 73.15 C ATOM 204 CD2 LEU B 22 60.348 4.015 86.823 1.00 73.51 C ATOM 205 H LEU B 22 61.944 1.595 89.917 1.00 0.00 H ATOM 206 N GLY B 23 59.053 0.389 90.874 1.00 74.29 N ATOM 207 CA GLY B 23 58.115 -0.599 91.407 1.00 75.26 C ATOM 208 C GLY B 23 58.215 -1.984 90.786 1.00 75.13 C ATOM 209 O GLY B 23 57.194 -2.648 90.592 1.00 75.06 O ATOM 210 H GLY B 23 59.874 0.663 91.451 1.00 0.00 H ATOM 211 N ILE B 24 59.439 -2.419 90.483 1.00 75.19 N ATOM 212 CA ILE B 24 59.701 -3.769 89.969 1.00 74.45 C ATOM 213 C ILE B 24 60.218 -4.635 91.121 1.00 73.85 C ATOM 214 O ILE B 24 60.968 -4.151 91.977 1.00 71.47 O ATOM 215 CB ILE B 24 60.730 -3.756 88.807 1.00 74.23 C ATOM 216 CG1 ILE B 24 60.324 -2.756 87.708 1.00 74.49 C ATOM 217 CG2 ILE B 24 60.908 -5.152 88.213 1.00 73.78 C ATOM 218 CD1 ILE B 24 59.039 -3.088 86.970 1.00 74.05 C ATOM 219 H ILE B 24 60.243 -1.773 90.617 1.00 0.00 H ATOM 220 N SER B 25 59.814 -5.906 91.139 1.00 74.52 N ATOM 221 CA SER B 25 60.217 -6.840 92.196 1.00 75.22 C ATOM 222 C SER B 25 61.665 -7.302 92.017 1.00 75.24 C ATOM 223 O SER B 25 62.181 -7.339 90.897 1.00 73.99 O ATOM 224 CB SER B 25 59.285 -8.056 92.235 1.00 74.72 C ATOM 225 OG SER B 25 59.420 -8.849 91.068 1.00 76.26 O ATOM 226 HG SER B 25 60.354 -9.170 90.995 1.00 0.00 H ATOM 227 H SER B 25 59.192 -6.246 90.378 1.00 0.00 H ATOM 228 N SER B 26 62.301 -7.660 93.132 1.00 74.76 N ATOM 229 CA SER B 26 63.686 -8.145 93.139 1.00 74.71 C ATOM 230 C SER B 26 63.856 -9.507 92.450 1.00 71.83 C ATOM 231 O SER B 26 64.952 -9.835 91.985 1.00 70.37 O ATOM 232 CB SER B 26 64.202 -8.231 94.576 1.00 75.72 C ATOM 233 OG SER B 26 63.349 -9.042 95.365 1.00 77.17 O ATOM 234 HG SER B 26 63.699 -9.085 96.290 1.00 0.00 H ATOM 235 H SER B 26 61.793 -7.593 94.037 1.00 0.00 H ATOM 236 N ASP B 27 62.782 -10.297 92.411 1.00 69.69 N ATOM 237 CA ASP B 27 62.747 -11.535 91.634 1.00 68.99 C ATOM 238 C ASP B 27 62.886 -11.237 90.142 1.00 67.07 C ATOM 239 O ASP B 27 63.708 -11.850 89.457 1.00 65.21 O ATOM 240 CB ASP B 27 61.443 -12.299 91.892 1.00 70.50 C ATOM 241 H ASP B 27 61.938 -10.022 92.953 1.00 0.00 H ATOM 242 N VAL B 28 62.083 -10.287 89.658 1.00 65.82 N ATOM 243 CA VAL B 28 62.100 -9.865 88.248 1.00 63.40 C ATOM 244 C VAL B 28 63.427 -9.189 87.870 1.00 61.31 C ATOM 245 O VAL B 28 63.913 -9.384 86.759 1.00 61.25 O ATOM 246 CB VAL B 28 60.885 -8.955 87.906 1.00 64.01 C ATOM 247 CG1 VAL B 28 61.000 -8.346 86.508 1.00 63.99 C ATOM 248 CG2 VAL B 28 59.585 -9.744 88.012 1.00 64.66 C ATOM 249 H VAL B 28 61.415 -9.824 90.307 1.00 0.00 H ATOM 250 N ILE B 29 64.002 -8.407 88.786 1.00 61.52 N ATOM 251 CA ILE B 29 65.310 -7.765 88.564 1.00 61.95 C ATOM 252 C ILE B 29 66.436 -8.803 88.457 1.00 62.54 C ATOM 253 O ILE B 29 67.288 -8.698 87.571 1.00 63.07 O ATOM 254 CB ILE B 29 65.647 -6.723 89.666 1.00 61.56 C ATOM 255 CG1 ILE B 29 64.670 -5.539 89.604 1.00 61.71 C ATOM 256 CG2 ILE B 29 67.077 -6.194 89.520 1.00 61.29 C ATOM 257 CD1 ILE B 29 64.576 -4.743 90.889 1.00 60.77 C ATOM 258 H ILE B 29 63.510 -8.245 89.688 1.00 0.00 H ATOM 259 N GLU B 30 66.434 -9.790 89.355 1.00 62.88 N ATOM 260 CA GLU B 30 67.443 -10.861 89.352 1.00 63.15 C ATOM 261 C GLU B 30 67.359 -11.744 88.102 1.00 62.75 C ATOM 262 O GLU B 30 68.383 -12.059 87.494 1.00 65.70 O ATOM 263 CB GLU B 30 67.313 -11.729 90.610 1.00 62.80 C ATOM 264 H GLU B 30 65.692 -9.803 90.084 1.00 0.00 H ATOM 265 N LYS B 31 66.141 -12.130 87.726 1.00 62.40 N ATOM 266 CA LYS B 31 65.908 -12.951 86.531 1.00 62.86 C ATOM 267 C LYS B 31 66.236 -12.215 85.229 1.00 62.65 C ATOM 268 O LYS B 31 66.823 -12.801 84.317 1.00 64.06 O ATOM 269 CB LYS B 31 64.456 -13.440 86.489 1.00 62.79 C ATOM 270 H LYS B 31 65.324 -11.839 88.300 1.00 0.00 H ATOM 271 N ALA B 32 65.859 -10.938 85.152 1.00 61.31 N ATOM 272 CA ALA B 32 66.135 -10.110 83.969 1.00 61.70 C ATOM 273 C ALA B 32 67.626 -9.814 83.753 1.00 61.25 C ATOM 274 O ALA B 32 68.057 -9.629 82.613 1.00 60.21 O ATOM 275 CB ALA B 32 65.350 -8.806 84.038 1.00 61.76 C ATOM 276 H ALA B 32 65.353 -10.514 85.956 1.00 0.00 H ATOM 277 N ARG B 33 68.406 -9.779 84.835 1.00 61.08 N ATOM 278 CA ARG B 33 69.836 -9.426 84.756 1.00 60.52 C ATOM 279 C ARG B 33 70.696 -10.470 84.033 1.00 58.08 C ATOM 280 O ARG B 33 71.750 -10.129 83.496 1.00 56.43 O ATOM 281 CB ARG B 33 70.428 -9.167 86.154 1.00 60.88 C ATOM 282 CG ARG B 33 71.446 -8.035 86.175 1.00 61.94 C ATOM 283 CD ARG B 33 72.431 -8.124 87.339 1.00 62.57 C ATOM 284 NE ARG B 33 71.836 -8.590 88.594 1.00 61.45 N ATOM 285 CZ ARG B 33 71.006 -7.888 89.366 1.00 60.81 C ATOM 286 NH1 ARG B 33 70.539 -8.432 90.489 1.00 59.99 N ATOM 287 NH2 ARG B 33 70.626 -6.656 89.029 1.00 60.58 N ATOM 288 HE ARG B 33 72.082 -9.550 88.910 1.00 0.00 H ATOM 289 HH12 ARG B 33 69.891 -7.892 91.098 1.00 0.00 H ATOM 290 HH11 ARG B 33 70.822 -9.396 90.757 1.00 0.00 H ATOM 291 HH22 ARG B 33 69.978 -6.125 89.645 1.00 0.00 H ATOM 292 HH21 ARG B 33 70.978 -6.226 88.150 1.00 0.00 H ATOM 293 H ARG B 33 67.993 -10.007 85.762 1.00 0.00 H ATOM 294 N ASN B 34 70.249 -11.726 84.023 1.00 56.39 N ATOM 295 CA ASN B 34 71.015 -12.828 83.430 1.00 56.59 C ATOM 296 C ASN B 34 70.883 -12.963 81.904 1.00 55.38 C ATOM 297 O ASN B 34 71.602 -13.759 81.290 1.00 52.97 O ATOM 298 CB ASN B 34 70.650 -14.146 84.120 1.00 58.38 C ATOM 299 CG ASN B 34 70.927 -14.113 85.620 1.00 62.33 C ATOM 300 OD1 ASN B 34 71.958 -13.596 86.063 1.00 64.56 O ATOM 301 ND2 ASN B 34 70.008 -14.666 86.409 1.00 63.45 N ATOM 302 HD22 ASN B 34 69.154 -15.091 85.994 1.00 0.00 H ATOM 303 HD21 ASN B 34 70.144 -14.673 87.440 1.00 0.00 H ATOM 304 H ASN B 34 69.324 -11.932 84.451 1.00 0.00 H ATOM 305 N PHE B 35 69.978 -12.193 81.295 1.00 53.55 N ATOM 306 CA PHE B 35 69.877 -12.127 79.834 1.00 51.65 C ATOM 307 C PHE B 35 71.040 -11.328 79.255 1.00 48.25 C ATOM 308 O PHE B 35 71.350 -10.245 79.744 1.00 46.40 O ATOM 309 CB PHE B 35 68.568 -11.459 79.402 1.00 52.83 C ATOM 310 CG PHE B 35 67.339 -12.272 79.697 1.00 55.04 C ATOM 311 CD1 PHE B 35 67.129 -13.488 79.060 1.00 57.04 C ATOM 312 CD2 PHE B 35 66.376 -11.814 80.591 1.00 57.99 C ATOM 313 CE1 PHE B 35 65.991 -14.243 79.318 1.00 58.15 C ATOM 314 CE2 PHE B 35 65.233 -12.562 80.855 1.00 58.04 C ATOM 315 CZ PHE B 35 65.041 -13.779 80.217 1.00 58.21 C ATOM 316 H PHE B 35 69.327 -11.624 81.873 1.00 0.00 H ATOM 317 N LYS B 36 71.681 -11.870 78.221 1.00 46.13 N ATOM 318 CA LYS B 36 72.620 -11.100 77.402 1.00 44.84 C ATOM 319 C LYS B 36 71.804 -10.222 76.461 1.00 42.54 C ATOM 320 O LYS B 36 70.859 -10.708 75.843 1.00 41.63 O ATOM 321 CB LYS B 36 73.530 -12.029 76.594 1.00 45.46 C ATOM 322 H LYS B 36 71.510 -12.869 77.988 1.00 0.00 H ATOM 323 N ILE B 37 72.160 -8.938 76.364 1.00 42.01 N ATOM 324 CA ILE B 37 71.437 -7.971 75.522 1.00 40.17 C ATOM 325 C ILE B 37 72.340 -7.452 74.406 1.00 39.85 C ATOM 326 O ILE B 37 73.362 -6.816 74.675 1.00 40.02 O ATOM 327 CB ILE B 37 70.898 -6.773 76.339 1.00 40.81 C ATOM 328 CG1 ILE B 37 70.069 -7.275 77.532 1.00 42.22 C ATOM 329 CG2 ILE B 37 70.054 -5.855 75.451 1.00 41.01 C ATOM 330 CD1 ILE B 37 69.612 -6.197 78.488 1.00 42.43 C ATOM 331 H ILE B 37 72.983 -8.607 76.907 1.00 0.00 H ATOM 332 N VAL B 38 71.965 -7.735 73.158 1.00 39.64 N ATOM 333 CA VAL B 38 72.618 -7.143 71.993 1.00 38.42 C ATOM 334 C VAL B 38 71.700 -6.053 71.442 1.00 37.88 C ATOM 335 O VAL B 38 70.538 -6.315 71.102 1.00 37.71 O ATOM 336 CB VAL B 38 72.954 -8.192 70.912 1.00 38.96 C ATOM 337 CG1 VAL B 38 73.626 -7.536 69.707 1.00 39.14 C ATOM 338 CG2 VAL B 38 73.855 -9.277 71.493 1.00 38.77 C ATOM 339 H VAL B 38 71.180 -8.401 73.009 1.00 0.00 H ATOM 340 N THR B 39 72.215 -4.825 71.400 1.00 36.38 N ATOM 341 CA THR B 39 71.516 -3.698 70.795 1.00 35.33 C ATOM 342 C THR B 39 71.945 -3.614 69.330 1.00 34.76 C ATOM 343 O THR B 39 73.138 -3.613 69.041 1.00 35.09 O ATOM 344 CB THR B 39 71.833 -2.378 71.537 1.00 34.88 C ATOM 345 OG1 THR B 39 71.348 -2.456 72.885 1.00 34.82 O ATOM 346 CG2 THR B 39 71.191 -1.183 70.848 1.00 34.72 C ATOM 347 HG1 THR B 39 71.790 -3.210 73.350 1.00 0.00 H ATOM 348 H THR B 39 73.154 -4.664 71.816 1.00 0.00 H ATOM 349 N GLU B 40 70.976 -3.579 68.417 1.00 34.74 N ATOM 350 CA GLU B 40 71.230 -3.331 66.993 1.00 34.38 C ATOM 351 C GLU B 40 70.522 -2.038 66.594 1.00 34.17 C ATOM 352 O GLU B 40 69.330 -1.863 66.870 1.00 35.58 O ATOM 353 CB GLU B 40 70.731 -4.497 66.134 1.00 33.46 C ATOM 354 H GLU B 40 69.996 -3.734 68.727 1.00 0.00 H ATOM 355 N VAL B 41 71.258 -1.134 65.954 1.00 33.50 N ATOM 356 CA VAL B 41 70.721 0.156 65.533 1.00 34.05 C ATOM 357 C VAL B 41 71.015 0.380 64.056 1.00 34.76 C ATOM 358 O VAL B 41 72.106 0.073 63.588 1.00 33.87 O ATOM 359 CB VAL B 41 71.324 1.317 66.349 1.00 33.52 C ATOM 360 CG1 VAL B 41 70.709 2.648 65.932 1.00 34.01 C ATOM 361 CG2 VAL B 41 71.129 1.075 67.839 1.00 33.82 C ATOM 362 H VAL B 41 72.253 -1.354 65.746 1.00 0.00 H ATOM 363 N GLN B 42 70.022 0.902 63.335 1.00 37.45 N ATOM 364 CA GLN B 42 70.193 1.388 61.969 1.00 39.92 C ATOM 365 C GLN B 42 69.635 2.808 61.887 1.00 39.71 C ATOM 366 O GLN B 42 68.465 3.034 62.193 1.00 37.40 O ATOM 367 CB GLN B 42 69.476 0.472 60.973 1.00 42.32 C ATOM 368 CG GLN B 42 69.664 0.853 59.504 1.00 45.41 C ATOM 369 CD GLN B 42 71.081 0.622 59.001 1.00 47.03 C ATOM 370 OE1 GLN B 42 71.813 1.572 58.722 1.00 48.51 O ATOM 371 NE2 GLN B 42 71.472 -0.640 58.884 1.00 48.45 N ATOM 372 HE22 GLN B 42 70.820 -1.411 59.131 1.00 0.00 H ATOM 373 HE21 GLN B 42 72.431 -0.858 58.545 1.00 0.00 H ATOM 374 H GLN B 42 69.078 0.966 63.768 1.00 0.00 H ATOM 375 N GLN B 43 70.486 3.754 61.493 1.00 41.79 N ATOM 376 CA GLN B 43 70.082 5.139 61.255 1.00 43.67 C ATOM 377 C GLN B 43 69.951 5.386 59.757 1.00 45.23 C ATOM 378 O GLN B 43 70.929 5.235 59.021 1.00 46.70 O ATOM 379 CB GLN B 43 71.111 6.108 61.842 1.00 44.90 C ATOM 380 CG GLN B 43 70.834 7.572 61.514 1.00 45.80 C ATOM 381 CD GLN B 43 71.712 8.562 62.256 1.00 46.90 C ATOM 382 OE1 GLN B 43 71.486 9.772 62.172 1.00 49.65 O ATOM 383 NE2 GLN B 43 72.711 8.067 62.984 1.00 47.47 N ATOM 384 HE22 GLN B 43 72.864 7.039 63.026 1.00 0.00 H ATOM 385 HE21 GLN B 43 73.338 8.708 63.511 1.00 0.00 H ATOM 386 H GLN B 43 71.483 3.496 61.348 1.00 0.00 H ATOM 387 N ASP B 44 68.748 5.765 59.319 1.00 45.00 N ATOM 388 CA ASP B 44 68.504 6.221 57.949 1.00 46.53 C ATOM 389 C ASP B 44 68.062 7.689 58.007 1.00 44.74 C ATOM 390 O ASP B 44 66.876 8.013 57.890 1.00 43.77 O ATOM 391 CB ASP B 44 67.455 5.340 57.262 1.00 48.82 C ATOM 392 CG ASP B 44 67.293 5.670 55.786 1.00 51.59 C ATOM 393 OD1 ASP B 44 68.263 5.459 55.024 1.00 55.88 O ATOM 394 OD2 ASP B 44 66.202 6.137 55.391 1.00 52.56 O ATOM 395 H ASP B 44 67.947 5.735 59.982 1.00 0.00 H ATOM 396 N GLY B 45 69.040 8.568 58.208 1.00 42.67 N ATOM 397 CA GLY B 45 68.784 9.985 58.424 1.00 40.41 C ATOM 398 C GLY B 45 68.177 10.225 59.795 1.00 38.61 C ATOM 399 O GLY B 45 68.800 9.941 60.811 1.00 37.66 O ATOM 400 H GLY B 45 70.024 8.231 58.211 1.00 0.00 H ATOM 401 N GLN B 46 66.952 10.740 59.812 1.00 38.34 N ATOM 402 CA GLN B 46 66.196 10.962 61.050 1.00 36.61 C ATOM 403 C GLN B 46 65.465 9.708 61.541 1.00 36.43 C ATOM 404 O GLN B 46 64.981 9.684 62.674 1.00 35.17 O ATOM 405 CB GLN B 46 65.159 12.057 60.828 1.00 36.34 C ATOM 406 CG GLN B 46 65.727 13.406 60.408 1.00 35.47 C ATOM 407 CD GLN B 46 64.678 14.279 59.747 1.00 35.37 C ATOM 408 OE1 GLN B 46 64.065 13.876 58.764 1.00 35.85 O ATOM 409 NE2 GLN B 46 64.467 15.477 60.277 1.00 35.75 N ATOM 410 HE22 GLN B 46 65.009 15.779 61.111 1.00 0.00 H ATOM 411 HE21 GLN B 46 63.759 16.114 59.858 1.00 0.00 H ATOM 412 H GLN B 46 66.509 10.997 58.907 1.00 0.00 H ATOM 413 N ASP B 47 65.368 8.689 60.682 1.00 36.10 N ATOM 414 CA ASP B 47 64.625 7.467 60.975 1.00 35.80 C ATOM 415 C ASP B 47 65.526 6.429 61.631 1.00 34.77 C ATOM 416 O ASP B 47 66.550 6.046 61.059 1.00 33.74 O ATOM 417 CB ASP B 47 64.045 6.879 59.684 1.00 37.45 C ATOM 418 CG ASP B 47 62.974 7.760 59.055 1.00 38.56 C ATOM 419 OD1 ASP B 47 62.484 7.385 57.975 1.00 42.11 O ATOM 420 OD2 ASP B 47 62.606 8.812 59.622 1.00 41.06 O ATOM 421 H ASP B 47 65.844 8.770 59.761 1.00 0.00 H ATOM 422 N PHE B 48 65.127 5.965 62.817 1.00 33.05 N ATOM 423 CA PHE B 48 65.888 4.964 63.560 1.00 32.15 C ATOM 424 C PHE B 48 65.115 3.664 63.663 1.00 31.16 C ATOM 425 O PHE B 48 63.911 3.677 63.873 1.00 31.16 O ATOM 426 CB PHE B 48 66.236 5.490 64.952 1.00 32.25 C ATOM 427 CG PHE B 48 67.434 6.400 64.963 1.00 31.95 C ATOM 428 CD1 PHE B 48 67.309 7.741 64.613 1.00 32.41 C ATOM 429 CD2 PHE B 48 68.690 5.910 65.282 1.00 31.70 C ATOM 430 CE1 PHE B 48 68.417 8.581 64.604 1.00 32.87 C ATOM 431 CE2 PHE B 48 69.801 6.744 65.278 1.00 32.54 C ATOM 432 CZ PHE B 48 69.666 8.080 64.942 1.00 32.40 C ATOM 433 H PHE B 48 64.243 6.329 63.227 1.00 0.00 H ATOM 434 N THR B 49 65.819 2.550 63.472 1.00 30.90 N ATOM 435 CA THR B 49 65.329 1.225 63.829 1.00 31.00 C ATOM 436 C THR B 49 66.233 0.752 64.955 1.00 31.77 C ATOM 437 O THR B 49 67.414 0.467 64.725 1.00 31.51 O ATOM 438 CB THR B 49 65.380 0.239 62.645 1.00 30.51 C ATOM 439 OG1 THR B 49 64.670 0.791 61.528 1.00 29.24 O ATOM 440 CG2 THR B 49 64.756 -1.108 63.029 1.00 29.66 C ATOM 441 HG1 THR B 49 64.705 0.155 60.770 1.00 0.00 H ATOM 442 H THR B 49 66.765 2.630 63.047 1.00 0.00 H ATOM 443 N TRP B 50 65.669 0.697 66.166 1.00 31.94 N ATOM 444 CA TRP B 50 66.413 0.412 67.387 1.00 31.90 C ATOM 445 C TRP B 50 65.912 -0.883 68.012 1.00 32.18 C ATOM 446 O TRP B 50 64.778 -0.938 68.489 1.00 31.62 O ATOM 447 CB TRP B 50 66.254 1.570 68.376 1.00 32.71 C ATOM 448 CG TRP B 50 67.324 1.596 69.412 1.00 32.95 C ATOM 449 CD1 TRP B 50 67.479 0.732 70.459 1.00 33.19 C ATOM 450 CD2 TRP B 50 68.402 2.527 69.494 1.00 33.40 C ATOM 451 NE1 TRP B 50 68.586 1.077 71.197 1.00 34.24 N ATOM 452 CE2 TRP B 50 69.175 2.174 70.623 1.00 33.95 C ATOM 453 CE3 TRP B 50 68.795 3.631 68.720 1.00 34.35 C ATOM 454 CZ2 TRP B 50 70.321 2.885 71.002 1.00 33.86 C ATOM 455 CZ3 TRP B 50 69.937 4.339 69.096 1.00 33.96 C ATOM 456 CH2 TRP B 50 70.688 3.957 70.227 1.00 34.08 C ATOM 457 HE1 TRP B 50 68.922 0.587 72.050 1.00 0.00 H ATOM 458 H TRP B 50 64.646 0.866 66.241 1.00 0.00 H ATOM 459 N SER B 51 66.761 -1.913 68.018 1.00 31.52 N ATOM 460 CA SER B 51 66.375 -3.245 68.485 1.00 32.19 C ATOM 461 C SER B 51 67.225 -3.725 69.661 1.00 32.56 C ATOM 462 O SER B 51 68.437 -3.534 69.655 1.00 31.03 O ATOM 463 CB SER B 51 66.484 -4.252 67.339 1.00 31.88 C ATOM 464 OG SER B 51 65.580 -3.934 66.294 1.00 33.60 O ATOM 465 HG SER B 51 64.654 -3.950 66.644 1.00 0.00 H ATOM 466 H SER B 51 67.732 -1.763 67.678 1.00 0.00 H ATOM 467 N GLN B 52 66.571 -4.331 70.658 1.00 34.66 N ATOM 468 CA GLN B 52 67.235 -5.100 71.722 1.00 36.54 C ATOM 469 C GLN B 52 66.976 -6.589 71.481 1.00 37.47 C ATOM 470 O GLN B 52 65.819 -7.015 71.473 1.00 35.48 O ATOM 471 CB GLN B 52 66.691 -4.737 73.109 1.00 38.92 C ATOM 472 CG GLN B 52 67.108 -3.376 73.658 1.00 41.03 C ATOM 473 CD GLN B 52 66.096 -2.265 73.410 1.00 44.03 C ATOM 474 OE1 GLN B 52 64.892 -2.507 73.304 1.00 47.58 O ATOM 475 NE2 GLN B 52 66.586 -1.025 73.340 1.00 45.87 N ATOM 476 HE22 GLN B 52 67.609 -0.864 73.435 1.00 0.00 H ATOM 477 HE21 GLN B 52 65.945 -0.220 73.191 1.00 0.00 H ATOM 478 H GLN B 52 65.534 -4.254 70.682 1.00 0.00 H ATOM 479 N HIS B 53 68.048 -7.357 71.274 1.00 38.42 N ATOM 480 CA HIS B 53 67.987 -8.812 71.132 1.00 39.82 C ATOM 481 C HIS B 53 68.390 -9.465 72.451 1.00 40.03 C ATOM 482 O HIS B 53 69.461 -9.172 72.976 1.00 37.63 O ATOM 483 CB HIS B 53 68.950 -9.297 70.047 1.00 41.37 C ATOM 484 CG HIS B 53 68.709 -8.695 68.699 1.00 44.29 C ATOM 485 ND1 HIS B 53 67.890 -9.281 67.757 1.00 45.39 N ATOM 486 CD2 HIS B 53 69.196 -7.568 68.127 1.00 45.31 C ATOM 487 CE1 HIS B 53 67.874 -8.533 66.667 1.00 46.48 C ATOM 488 NE2 HIS B 53 68.660 -7.490 66.864 1.00 46.37 N ATOM 489 H HIS B 53 68.978 -6.896 71.210 1.00 0.00 H ATOM 490 N TYR B 54 67.543 -10.356 72.964 1.00 41.82 N ATOM 491 CA TYR B 54 67.774 -11.044 74.239 1.00 44.16 C ATOM 492 C TYR B 54 67.932 -12.547 74.051 1.00 46.27 C ATOM 493 O TYR B 54 67.683 -13.078 72.968 1.00 46.80 O ATOM 494 CB TYR B 54 66.580 -10.830 75.181 1.00 44.92 C ATOM 495 CG TYR B 54 66.289 -9.391 75.542 1.00 46.27 C ATOM 496 CD1 TYR B 54 66.751 -8.845 76.743 1.00 47.14 C ATOM 497 CD2 TYR B 54 65.525 -8.577 74.700 1.00 46.86 C ATOM 498 CE1 TYR B 54 66.479 -7.525 77.085 1.00 47.31 C ATOM 499 CE2 TYR B 54 65.246 -7.255 75.035 1.00 47.53 C ATOM 500 CZ TYR B 54 65.727 -6.734 76.227 1.00 46.62 C ATOM 501 OH TYR B 54 65.460 -5.433 76.563 1.00 45.24 O ATOM 502 HH TYR B 54 65.875 -5.228 77.438 1.00 0.00 H ATOM 503 H TYR B 54 66.675 -10.575 72.434 1.00 0.00 H ATOM 504 N SER B 55 68.380 -13.205 75.123 1.00 49.71 N ATOM 505 CA SER B 55 67.971 -14.578 75.468 1.00 49.42 C ATOM 506 C SER B 55 68.158 -15.603 74.351 1.00 50.27 C ATOM 507 O SER B 55 69.121 -15.518 73.584 1.00 51.79 O ATOM 508 CB SER B 55 66.511 -14.540 75.958 1.00 50.62 C ATOM 509 OG SER B 55 65.576 -14.545 74.891 1.00 51.69 O ATOM 510 HG SER B 55 64.657 -14.520 75.259 1.00 0.00 H ATOM 511 H SER B 55 69.055 -12.722 75.749 1.00 0.00 H ATOM 512 N GLY B 56 67.266 -16.592 74.295 1.00 51.39 N ATOM 513 CA GLY B 56 67.099 -17.419 73.117 1.00 52.98 C ATOM 514 C GLY B 56 66.125 -16.761 72.162 1.00 53.50 C ATOM 515 O GLY B 56 64.969 -17.164 72.083 1.00 57.27 O ATOM 516 H GLY B 56 66.669 -16.777 75.126 1.00 0.00 H ATOM 517 N GLY B 57 66.590 -15.727 71.462 1.00 53.22 N ATOM 518 CA GLY B 57 65.887 -15.181 70.299 1.00 52.21 C ATOM 519 C GLY B 57 64.624 -14.367 70.531 1.00 50.39 C ATOM 520 O GLY B 57 63.692 -14.454 69.731 1.00 53.08 O ATOM 521 H GLY B 57 67.488 -15.290 71.753 1.00 0.00 H ATOM 522 N HIS B 58 64.585 -13.582 71.609 1.00 47.77 N ATOM 523 CA HIS B 58 63.539 -12.567 71.799 1.00 45.85 C ATOM 524 C HIS B 58 64.073 -11.199 71.379 1.00 41.18 C ATOM 525 O HIS B 58 65.237 -10.883 71.630 1.00 39.40 O ATOM 526 CB HIS B 58 63.044 -12.533 73.246 1.00 47.77 C ATOM 527 CG HIS B 58 62.229 -13.728 73.628 1.00 50.68 C ATOM 528 ND1 HIS B 58 62.752 -14.792 74.331 1.00 53.05 N ATOM 529 CD2 HIS B 58 60.931 -14.034 73.391 1.00 52.40 C ATOM 530 CE1 HIS B 58 61.811 -15.701 74.514 1.00 54.25 C ATOM 531 NE2 HIS B 58 60.696 -15.267 73.951 1.00 54.47 N ATOM 532 H HIS B 58 65.318 -13.692 72.338 1.00 0.00 H ATOM 533 N THR B 59 63.225 -10.399 70.733 1.00 37.59 N ATOM 534 CA THR B 59 63.642 -9.107 70.175 1.00 36.99 C ATOM 535 C THR B 59 62.568 -8.044 70.370 1.00 33.86 C ATOM 536 O THR B 59 61.390 -8.319 70.194 1.00 32.93 O ATOM 537 CB THR B 59 63.987 -9.228 68.670 1.00 37.99 C ATOM 538 OG1 THR B 59 64.990 -10.236 68.492 1.00 40.34 O ATOM 539 CG2 THR B 59 64.518 -7.902 68.104 1.00 38.01 C ATOM 540 HG1 THR B 59 65.802 -9.985 68.999 1.00 0.00 H ATOM 541 H THR B 59 62.236 -10.700 70.621 1.00 0.00 H ATOM 542 N MET B 60 62.998 -6.840 70.740 1.00 32.92 N ATOM 543 CA MET B 60 62.127 -5.678 70.884 1.00 32.58 C ATOM 544 C MET B 60 62.685 -4.575 69.999 1.00 31.31 C ATOM 545 O MET B 60 63.740 -4.016 70.295 1.00 29.43 O ATOM 546 CB MET B 60 62.086 -5.214 72.342 1.00 33.64 C ATOM 547 CG MET B 60 61.161 -4.035 72.628 1.00 35.27 C ATOM 548 SD MET B 60 59.413 -4.403 72.358 1.00 38.64 S ATOM 549 CE MET B 60 59.072 -3.535 70.835 1.00 38.00 C ATOM 550 H MET B 60 64.012 -6.721 70.938 1.00 0.00 H ATOM 551 N THR B 61 61.975 -4.284 68.912 1.00 31.24 N ATOM 552 CA THR B 61 62.353 -3.245 67.958 1.00 30.75 C ATOM 553 C THR B 61 61.416 -2.048 68.099 1.00 30.49 C ATOM 554 O THR B 61 60.204 -2.217 68.140 1.00 31.47 O ATOM 555 CB THR B 61 62.297 -3.794 66.520 1.00 30.50 C ATOM 556 OG1 THR B 61 63.192 -4.911 66.398 1.00 31.72 O ATOM 557 CG2 THR B 61 62.663 -2.732 65.493 1.00 30.11 C ATOM 558 HG1 THR B 61 64.115 -4.617 66.604 1.00 0.00 H ATOM 559 H THR B 61 61.105 -4.825 68.732 1.00 0.00 H ATOM 560 N ASN B 62 61.993 -0.853 68.211 1.00 30.45 N ATOM 561 CA ASN B 62 61.258 0.408 68.114 1.00 30.47 C ATOM 562 C ASN B 62 61.766 1.191 66.914 1.00 31.81 C ATOM 563 O ASN B 62 62.982 1.331 66.722 1.00 30.83 O ATOM 564 CB ASN B 62 61.444 1.253 69.371 1.00 30.49 C ATOM 565 CG ASN B 62 60.679 0.709 70.556 1.00 29.83 C ATOM 566 OD1 ASN B 62 59.454 0.846 70.633 1.00 28.95 O ATOM 567 ND2 ASN B 62 61.393 0.088 71.486 1.00 28.55 N ATOM 568 HD22 ASN B 62 62.423 -0.002 71.377 1.00 0.00 H ATOM 569 HD21 ASN B 62 60.922 -0.308 72.324 1.00 0.00 H ATOM 570 H ASN B 62 63.019 -0.814 68.376 1.00 0.00 H ATOM 571 N LYS B 63 60.825 1.684 66.111 1.00 33.13 N ATOM 572 CA LYS B 63 61.107 2.584 65.007 1.00 34.28 C ATOM 573 C LYS B 63 60.595 3.958 65.369 1.00 34.26 C ATOM 574 O LYS B 63 59.417 4.112 65.665 1.00 36.19 O ATOM 575 CB LYS B 63 60.399 2.121 63.747 1.00 36.17 C ATOM 576 CG LYS B 63 60.922 0.816 63.204 1.00 37.43 C ATOM 577 CD LYS B 63 60.215 0.475 61.910 1.00 39.40 C ATOM 578 CE LYS B 63 60.888 -0.697 61.226 1.00 41.01 C ATOM 579 NZ LYS B 63 61.994 -0.211 60.360 1.00 41.72 N ATOM 580 HZ1 LYS B 63 61.611 0.433 59.639 1.00 0.00 H ATOM 581 HZ2 LYS B 63 62.692 0.294 60.942 1.00 0.00 H ATOM 582 HZ3 LYS B 63 62.450 -1.022 59.895 1.00 0.00 H ATOM 583 H LYS B 63 59.837 1.410 66.284 1.00 0.00 H ATOM 584 N PHE B 64 61.474 4.951 65.348 1.00 33.97 N ATOM 585 CA PHE B 64 61.082 6.325 65.617 1.00 33.48 C ATOM 586 C PHE B 64 61.785 7.269 64.656 1.00 34.52 C ATOM 587 O PHE B 64 62.815 6.929 64.067 1.00 33.44 O ATOM 588 CB PHE B 64 61.386 6.703 67.070 1.00 33.20 C ATOM 589 CG PHE B 64 62.833 6.575 67.444 1.00 32.17 C ATOM 590 CD1 PHE B 64 63.331 5.381 67.944 1.00 32.39 C ATOM 591 CD2 PHE B 64 63.703 7.653 67.291 1.00 32.28 C ATOM 592 CE1 PHE B 64 64.671 5.259 68.284 1.00 32.71 C ATOM 593 CE2 PHE B 64 65.043 7.541 67.626 1.00 32.43 C ATOM 594 CZ PHE B 64 65.530 6.341 68.126 1.00 32.96 C ATOM 595 H PHE B 64 62.470 4.741 65.133 1.00 0.00 H ATOM 596 N THR B 65 61.196 8.449 64.500 1.00 35.97 N ATOM 597 CA THR B 65 61.786 9.540 63.746 1.00 36.03 C ATOM 598 C THR B 65 62.166 10.627 64.746 1.00 35.36 C ATOM 599 O THR B 65 61.344 11.025 65.576 1.00 35.19 O ATOM 600 CB THR B 65 60.798 10.066 62.697 1.00 36.61 C ATOM 601 OG1 THR B 65 60.460 8.994 61.810 1.00 37.87 O ATOM 602 CG2 THR B 65 61.404 11.219 61.877 1.00 36.90 C ATOM 603 HG1 THR B 65 61.281 8.664 61.365 1.00 0.00 H ATOM 604 H THR B 65 60.266 8.599 64.940 1.00 0.00 H ATOM 605 N VAL B 66 63.415 11.087 64.679 1.00 35.12 N ATOM 606 CA VAL B 66 63.915 12.119 65.594 1.00 34.30 C ATOM 607 C VAL B 66 63.011 13.349 65.460 1.00 34.85 C ATOM 608 O VAL B 66 62.715 13.779 64.346 1.00 34.60 O ATOM 609 CB VAL B 66 65.387 12.496 65.299 1.00 34.11 C ATOM 610 CG1 VAL B 66 65.825 13.700 66.129 1.00 34.03 C ATOM 611 CG2 VAL B 66 66.310 11.310 65.559 1.00 34.30 C ATOM 612 H VAL B 66 64.055 10.702 63.955 1.00 0.00 H ATOM 613 N GLY B 67 62.537 13.866 66.593 1.00 35.31 N ATOM 614 CA GLY B 67 61.636 15.019 66.623 1.00 35.62 C ATOM 615 C GLY B 67 60.155 14.743 66.403 1.00 37.67 C ATOM 616 O GLY B 67 59.359 15.681 66.439 1.00 38.48 O ATOM 617 H GLY B 67 62.819 13.432 67.495 1.00 0.00 H ATOM 618 N LYS B 68 59.778 13.482 66.170 1.00 38.23 N ATOM 619 CA LYS B 68 58.376 13.100 65.988 1.00 40.35 C ATOM 620 C LYS B 68 57.946 12.209 67.151 1.00 41.97 C ATOM 621 O LYS B 68 58.706 11.333 67.588 1.00 42.94 O ATOM 622 CB LYS B 68 58.182 12.366 64.659 1.00 40.05 C ATOM 623 H LYS B 68 60.508 12.744 66.116 1.00 0.00 H ATOM 624 N GLU B 69 56.733 12.444 67.649 1.00 42.06 N ATOM 625 CA GLU B 69 56.190 11.695 68.780 1.00 43.49 C ATOM 626 C GLU B 69 55.862 10.260 68.368 1.00 44.49 C ATOM 627 O GLU B 69 55.145 10.039 67.390 1.00 43.49 O ATOM 628 CB GLU B 69 54.929 12.376 69.325 1.00 42.94 C ATOM 629 H GLU B 69 56.150 13.189 67.216 1.00 0.00 H ATOM 630 N SER B 70 56.406 9.296 69.107 1.00 46.39 N ATOM 631 CA SER B 70 56.075 7.881 68.928 1.00 48.90 C ATOM 632 C SER B 70 55.794 7.236 70.280 1.00 48.28 C ATOM 633 O SER B 70 56.024 7.846 71.325 1.00 48.60 O ATOM 634 CB SER B 70 57.208 7.145 68.191 1.00 50.30 C ATOM 635 OG SER B 70 58.483 7.426 68.756 1.00 51.64 O ATOM 636 HG SER B 70 59.181 6.935 68.254 1.00 0.00 H ATOM 637 H SER B 70 57.094 9.558 69.841 1.00 0.00 H ATOM 638 N ASN B 71 55.274 6.012 70.242 1.00 49.69 N ATOM 639 CA ASN B 71 55.083 5.187 71.437 1.00 50.14 C ATOM 640 C ASN B 71 56.140 4.089 71.476 1.00 48.16 C ATOM 641 O ASN B 71 56.310 3.349 70.512 1.00 49.31 O ATOM 642 CB ASN B 71 53.671 4.590 71.477 1.00 51.72 C ATOM 643 CG ASN B 71 52.779 5.272 72.501 1.00 54.17 C ATOM 644 OD1 ASN B 71 52.833 4.958 73.693 1.00 55.57 O ATOM 645 ND2 ASN B 71 51.949 6.202 72.042 1.00 54.00 N ATOM 646 HD22 ASN B 71 51.938 6.434 71.028 1.00 0.00 H ATOM 647 HD21 ASN B 71 51.310 6.698 72.696 1.00 0.00 H ATOM 648 H ASN B 71 54.990 5.623 69.320 1.00 0.00 H ATOM 649 N ILE B 72 56.843 4.000 72.598 1.00 46.74 N ATOM 650 CA ILE B 72 57.990 3.119 72.738 1.00 46.04 C ATOM 651 C ILE B 72 57.604 1.930 73.606 1.00 46.08 C ATOM 652 O ILE B 72 57.192 2.107 74.747 1.00 47.35 O ATOM 653 CB ILE B 72 59.194 3.907 73.301 1.00 46.11 C ATOM 654 CG1 ILE B 72 59.824 4.730 72.164 1.00 46.74 C ATOM 655 CG2 ILE B 72 60.244 2.987 73.918 1.00 46.21 C ATOM 656 CD1 ILE B 72 60.378 6.067 72.578 1.00 47.06 C ATOM 657 H ILE B 72 56.561 4.585 73.411 1.00 0.00 H ATOM 658 N GLN B 73 57.726 0.729 73.043 1.00 44.10 N ATOM 659 CA GLN B 73 57.482 -0.508 73.768 1.00 43.95 C ATOM 660 C GLN B 73 58.810 -1.027 74.296 1.00 44.60 C ATOM 661 O GLN B 73 59.842 -0.914 73.626 1.00 42.68 O ATOM 662 CB GLN B 73 56.826 -1.551 72.859 1.00 43.48 C ATOM 663 H GLN B 73 58.007 0.674 72.043 1.00 0.00 H ATOM 664 N THR B 74 58.778 -1.569 75.511 1.00 46.39 N ATOM 665 CA THR B 74 59.924 -2.246 76.110 1.00 49.03 C ATOM 666 C THR B 74 59.628 -3.746 76.113 1.00 51.79 C ATOM 667 O THR B 74 58.459 -4.152 76.126 1.00 51.49 O ATOM 668 CB THR B 74 60.197 -1.739 77.548 1.00 48.91 C ATOM 669 OG1 THR B 74 59.162 -2.177 78.440 1.00 47.66 O ATOM 670 CG2 THR B 74 60.258 -0.212 77.580 1.00 49.32 C ATOM 671 HG1 THR B 74 58.291 -1.821 78.133 1.00 0.00 H ATOM 672 H THR B 74 57.896 -1.507 76.059 1.00 0.00 H ATOM 673 N MET B 75 60.678 -4.565 76.102 1.00 55.26 N ATOM 674 CA MET B 75 60.531 -6.026 76.158 1.00 57.43 C ATOM 675 C MET B 75 59.766 -6.456 77.417 1.00 58.51 C ATOM 676 O MET B 75 58.994 -7.416 77.378 1.00 60.61 O ATOM 677 CB MET B 75 61.904 -6.712 76.104 1.00 59.40 C ATOM 678 CG MET B 75 61.883 -8.235 75.959 1.00 61.15 C ATOM 679 SD MET B 75 61.277 -8.834 74.362 1.00 63.03 S ATOM 680 CE MET B 75 59.531 -9.080 74.687 1.00 63.10 C ATOM 681 H MET B 75 61.633 -4.157 76.052 1.00 0.00 H ATOM 682 N GLY B 76 59.970 -5.725 78.515 1.00 58.16 N ATOM 683 CA GLY B 76 59.240 -5.941 79.763 1.00 59.10 C ATOM 684 C GLY B 76 57.731 -5.718 79.741 1.00 58.47 C ATOM 685 O GLY B 76 57.051 -6.125 80.682 1.00 59.78 O ATOM 686 H GLY B 76 60.681 -4.967 78.481 1.00 0.00 H ATOM 687 N GLY B 77 57.210 -5.058 78.703 1.00 57.92 N ATOM 688 CA GLY B 77 55.762 -4.872 78.510 1.00 58.78 C ATOM 689 C GLY B 77 55.264 -3.436 78.636 1.00 60.17 C ATOM 690 O GLY B 77 54.112 -3.146 78.292 1.00 61.04 O ATOM 691 H GLY B 77 57.859 -4.656 77.997 1.00 0.00 H ATOM 692 N LYS B 78 56.125 -2.540 79.120 1.00 60.34 N ATOM 693 CA LYS B 78 55.774 -1.132 79.325 1.00 59.98 C ATOM 694 C LYS B 78 55.721 -0.367 78.000 1.00 60.42 C ATOM 695 O LYS B 78 56.561 -0.578 77.119 1.00 59.27 O ATOM 696 CB LYS B 78 56.800 -0.476 80.252 1.00 61.24 C ATOM 697 CG LYS B 78 56.411 0.889 80.793 1.00 61.62 C ATOM 698 CD LYS B 78 57.595 1.528 81.503 1.00 61.61 C ATOM 699 CE LYS B 78 57.165 2.629 82.458 1.00 62.83 C ATOM 700 NZ LYS B 78 58.254 2.991 83.404 1.00 63.31 N ATOM 701 HZ1 LYS B 78 58.517 2.155 83.964 1.00 0.00 H ATOM 702 HZ2 LYS B 78 59.080 3.325 82.868 1.00 0.00 H ATOM 703 HZ3 LYS B 78 57.923 3.745 84.039 1.00 0.00 H ATOM 704 H LYS B 78 57.086 -2.854 79.362 1.00 0.00 H ATOM 705 N THR B 79 54.742 0.532 77.887 1.00 60.24 N ATOM 706 CA THR B 79 54.581 1.404 76.718 1.00 59.25 C ATOM 707 C THR B 79 54.369 2.855 77.158 1.00 57.56 C ATOM 708 O THR B 79 53.662 3.117 78.134 1.00 58.35 O ATOM 709 CB THR B 79 53.423 0.945 75.799 1.00 61.02 C ATOM 710 OG1 THR B 79 53.329 1.818 74.666 1.00 61.56 O ATOM 711 CG2 THR B 79 52.072 0.921 76.532 1.00 62.20 C ATOM 712 HG1 THR B 79 53.156 2.742 74.976 1.00 0.00 H ATOM 713 H THR B 79 54.059 0.619 78.666 1.00 0.00 H ATOM 714 N PHE B 80 54.985 3.791 76.437 1.00 54.34 N ATOM 715 CA PHE B 80 54.906 5.209 76.784 1.00 53.14 C ATOM 716 C PHE B 80 55.264 6.121 75.609 1.00 52.61 C ATOM 717 O PHE B 80 56.074 5.759 74.749 1.00 53.06 O ATOM 718 CB PHE B 80 55.809 5.516 77.991 1.00 53.32 C ATOM 719 CG PHE B 80 57.272 5.250 77.749 1.00 53.50 C ATOM 720 CD1 PHE B 80 58.139 6.293 77.419 1.00 53.33 C ATOM 721 CD2 PHE B 80 57.791 3.961 77.858 1.00 53.30 C ATOM 722 CE1 PHE B 80 59.490 6.056 77.199 1.00 52.25 C ATOM 723 CE2 PHE B 80 59.142 3.718 77.637 1.00 53.01 C ATOM 724 CZ PHE B 80 59.991 4.767 77.308 1.00 52.68 C ATOM 725 H PHE B 80 55.538 3.505 75.604 1.00 0.00 H ATOM 726 N LYS B 81 54.658 7.308 75.593 1.00 50.81 N ATOM 727 CA LYS B 81 54.909 8.303 74.556 1.00 48.72 C ATOM 728 C LYS B 81 56.251 8.974 74.791 1.00 47.02 C ATOM 729 O LYS B 81 56.632 9.225 75.936 1.00 47.68 O ATOM 730 CB LYS B 81 53.806 9.363 74.547 1.00 50.20 C ATOM 731 H LYS B 81 53.980 7.534 76.349 1.00 0.00 H ATOM 732 N ALA B 82 56.974 9.243 73.706 1.00 45.45 N ATOM 733 CA ALA B 82 58.208 10.025 73.775 1.00 43.33 C ATOM 734 C ALA B 82 58.593 10.590 72.417 1.00 43.40 C ATOM 735 O ALA B 82 58.242 10.036 71.371 1.00 45.21 O ATOM 736 CB ALA B 82 59.353 9.189 74.329 1.00 43.07 C ATOM 737 H ALA B 82 56.652 8.887 72.783 1.00 0.00 H ATOM 738 N THR B 83 59.322 11.699 72.461 1.00 43.55 N ATOM 739 CA THR B 83 59.887 12.337 71.287 1.00 42.94 C ATOM 740 C THR B 83 61.383 12.378 71.506 1.00 41.89 C ATOM 741 O THR B 83 61.861 13.061 72.416 1.00 41.85 O ATOM 742 CB THR B 83 59.355 13.773 71.120 1.00 43.13 C ATOM 743 OG1 THR B 83 57.927 13.742 71.016 1.00 43.98 O ATOM 744 CG2 THR B 83 59.946 14.438 69.873 1.00 43.72 C ATOM 745 HG1 THR B 83 57.585 14.665 70.909 1.00 0.00 H ATOM 746 H THR B 83 59.498 12.135 73.389 1.00 0.00 H ATOM 747 N VAL B 84 62.116 11.632 70.684 1.00 40.33 N ATOM 748 CA VAL B 84 63.572 11.591 70.772 1.00 40.20 C ATOM 749 C VAL B 84 64.131 12.801 70.031 1.00 40.37 C ATOM 750 O VAL B 84 63.697 13.093 68.923 1.00 42.79 O ATOM 751 CB VAL B 84 64.161 10.298 70.161 1.00 39.69 C ATOM 752 CG1 VAL B 84 65.669 10.236 70.393 1.00 38.49 C ATOM 753 CG2 VAL B 84 63.469 9.062 70.737 1.00 39.70 C ATOM 754 H VAL B 84 61.638 11.062 69.958 1.00 0.00 H ATOM 755 N GLN B 85 65.081 13.498 70.649 1.00 41.88 N ATOM 756 CA GLN B 85 65.800 14.602 70.004 1.00 42.85 C ATOM 757 C GLN B 85 67.276 14.253 69.844 1.00 44.55 C ATOM 758 O GLN B 85 67.836 13.534 70.668 1.00 42.98 O ATOM 759 CB GLN B 85 65.667 15.885 70.826 1.00 42.28 C ATOM 760 CG GLN B 85 64.241 16.398 70.996 1.00 42.43 C ATOM 761 CD GLN B 85 63.613 16.922 69.711 1.00 44.03 C ATOM 762 OE1 GLN B 85 64.273 17.065 68.672 1.00 44.26 O ATOM 763 NE2 GLN B 85 62.319 17.216 69.778 1.00 45.31 N ATOM 764 HE22 GLN B 85 61.801 17.082 70.670 1.00 0.00 H ATOM 765 HE21 GLN B 85 61.824 17.580 68.939 1.00 0.00 H ATOM 766 H GLN B 85 65.324 13.250 71.629 1.00 0.00 H ATOM 767 N MET B 86 67.887 14.757 68.773 1.00 47.29 N ATOM 768 CA MET B 86 69.330 14.653 68.552 1.00 50.90 C ATOM 769 C MET B 86 69.979 15.950 69.037 1.00 53.50 C ATOM 770 O MET B 86 69.688 17.020 68.499 1.00 55.45 O ATOM 771 CB MET B 86 69.622 14.426 67.062 1.00 51.42 C ATOM 772 CG MET B 86 71.091 14.245 66.709 1.00 52.15 C ATOM 773 SD MET B 86 71.788 12.692 67.296 1.00 55.26 S ATOM 774 CE MET B 86 71.419 11.614 65.911 1.00 54.12 C ATOM 775 H MET B 86 67.311 15.248 68.060 1.00 0.00 H ATOM 776 N GLU B 87 70.851 15.849 70.044 1.00 55.54 N ATOM 777 CA GLU B 87 71.469 17.017 70.683 1.00 57.82 C ATOM 778 C GLU B 87 72.941 16.751 71.002 1.00 59.09 C ATOM 779 O GLU B 87 73.254 15.943 71.879 1.00 59.45 O ATOM 780 CB GLU B 87 70.726 17.371 71.977 1.00 61.11 C ATOM 781 CG GLU B 87 69.229 17.612 71.813 1.00 63.47 C ATOM 782 CD GLU B 87 68.548 18.067 73.095 1.00 66.98 C ATOM 783 OE1 GLU B 87 69.155 17.949 74.184 1.00 68.88 O ATOM 784 OE2 GLU B 87 67.391 18.539 73.016 1.00 69.61 O ATOM 785 H GLU B 87 71.103 14.901 70.390 1.00 0.00 H ATOM 786 N GLY B 88 73.840 17.427 70.287 1.00 59.89 N ATOM 787 CA GLY B 88 75.284 17.255 70.471 1.00 60.18 C ATOM 788 C GLY B 88 75.775 15.839 70.228 1.00 59.60 C ATOM 789 O GLY B 88 76.697 15.376 70.904 1.00 61.29 O ATOM 790 H GLY B 88 73.504 18.102 69.571 1.00 0.00 H ATOM 791 N GLY B 89 75.152 15.152 69.269 1.00 57.22 N ATOM 792 CA GLY B 89 75.447 13.745 68.983 1.00 55.47 C ATOM 793 C GLY B 89 74.765 12.703 69.867 1.00 52.37 C ATOM 794 O GLY B 89 74.946 11.509 69.643 1.00 51.02 O ATOM 795 H GLY B 89 74.427 15.635 68.701 1.00 0.00 H ATOM 796 N LYS B 90 73.987 13.142 70.862 1.00 50.68 N ATOM 797 CA LYS B 90 73.268 12.247 71.770 1.00 49.44 C ATOM 798 C LYS B 90 71.779 12.226 71.426 1.00 46.85 C ATOM 799 O LYS B 90 71.202 13.268 71.115 1.00 46.60 O ATOM 800 CB LYS B 90 73.410 12.713 73.222 1.00 51.36 C ATOM 801 CG LYS B 90 74.813 13.104 73.652 1.00 54.72 C ATOM 802 CD LYS B 90 74.860 13.349 75.154 1.00 56.98 C ATOM 803 CE LYS B 90 76.175 13.978 75.587 1.00 59.41 C ATOM 804 NZ LYS B 90 76.420 13.788 77.047 1.00 60.53 N ATOM 805 HZ1 LYS B 90 75.650 14.231 77.587 1.00 0.00 H ATOM 806 HZ2 LYS B 90 76.455 12.771 77.262 1.00 0.00 H ATOM 807 HZ3 LYS B 90 77.325 14.230 77.306 1.00 0.00 H ATOM 808 H LYS B 90 73.888 14.168 70.997 1.00 0.00 H ATOM 809 N LEU B 91 71.167 11.044 71.496 1.00 44.18 N ATOM 810 CA LEU B 91 69.710 10.913 71.452 1.00 42.23 C ATOM 811 C LEU B 91 69.179 11.152 72.860 1.00 41.14 C ATOM 812 O LEU B 91 69.658 10.530 73.812 1.00 41.01 O ATOM 813 CB LEU B 91 69.294 9.529 70.961 1.00 41.04 C ATOM 814 CG LEU B 91 69.828 9.120 69.589 1.00 40.87 C ATOM 815 CD1 LEU B 91 69.467 7.674 69.319 1.00 40.17 C ATOM 816 CD2 LEU B 91 69.295 10.027 68.489 1.00 42.11 C ATOM 817 H LEU B 91 71.745 10.184 71.585 1.00 0.00 H ATOM 818 N VAL B 92 68.203 12.049 72.985 1.00 39.15 N ATOM 819 CA VAL B 92 67.700 12.504 74.282 1.00 37.98 C ATOM 820 C VAL B 92 66.184 12.349 74.331 1.00 39.11 C ATOM 821 O VAL B 92 65.500 12.648 73.357 1.00 39.05 O ATOM 822 CB VAL B 92 68.108 13.977 74.546 1.00 37.04 C ATOM 823 CG1 VAL B 92 67.403 14.551 75.775 1.00 36.30 C ATOM 824 CG2 VAL B 92 69.621 14.072 74.708 1.00 37.15 C ATOM 825 H VAL B 92 67.779 12.444 72.122 1.00 0.00 H ATOM 826 N VAL B 93 65.684 11.860 75.465 1.00 40.76 N ATOM 827 CA VAL B 93 64.257 11.830 75.773 1.00 42.68 C ATOM 828 C VAL B 93 64.102 12.476 77.150 1.00 46.91 C ATOM 829 O VAL B 93 64.599 11.936 78.144 1.00 48.24 O ATOM 830 CB VAL B 93 63.712 10.385 75.783 1.00 42.83 C ATOM 831 CG1 VAL B 93 62.284 10.328 76.319 1.00 42.82 C ATOM 832 CG2 VAL B 93 63.781 9.786 74.386 1.00 42.38 C ATOM 833 H VAL B 93 66.347 11.479 76.170 1.00 0.00 H ATOM 834 N ASN B 94 63.433 13.630 77.197 1.00 49.54 N ATOM 835 CA ASN B 94 63.283 14.412 78.429 1.00 51.87 C ATOM 836 C ASN B 94 61.828 14.770 78.671 1.00 54.25 C ATOM 837 O ASN B 94 61.200 15.429 77.842 1.00 54.71 O ATOM 838 CB ASN B 94 64.118 15.695 78.358 1.00 51.58 C ATOM 839 H ASN B 94 63.000 13.990 76.323 1.00 0.00 H ATOM 840 N PHE B 95 61.294 14.318 79.801 1.00 57.62 N ATOM 841 CA PHE B 95 59.952 14.700 80.242 1.00 60.32 C ATOM 842 C PHE B 95 59.879 14.573 81.776 1.00 61.92 C ATOM 843 O PHE B 95 60.871 14.172 82.390 1.00 61.81 O ATOM 844 CB PHE B 95 58.893 13.887 79.472 1.00 61.89 C ATOM 845 CG PHE B 95 58.971 12.399 79.676 1.00 62.94 C ATOM 846 CD1 PHE B 95 58.412 11.803 80.805 1.00 63.34 C ATOM 847 CD2 PHE B 95 59.554 11.584 78.709 1.00 62.95 C ATOM 848 CE1 PHE B 95 58.466 10.429 80.982 1.00 63.38 C ATOM 849 CE2 PHE B 95 59.609 10.210 78.880 1.00 63.14 C ATOM 850 CZ PHE B 95 59.065 9.632 80.017 1.00 63.93 C ATOM 851 H PHE B 95 61.850 13.669 80.394 1.00 0.00 H ATOM 852 N PRO B 96 58.742 14.957 82.407 1.00 65.04 N ATOM 853 CA PRO B 96 58.683 14.977 83.880 1.00 65.97 C ATOM 854 C PRO B 96 59.169 13.704 84.593 1.00 67.59 C ATOM 855 O PRO B 96 58.658 12.611 84.329 1.00 67.86 O ATOM 856 CB PRO B 96 57.198 15.223 84.156 1.00 65.93 C ATOM 857 CG PRO B 96 56.777 16.081 83.018 1.00 66.28 C ATOM 858 CD PRO B 96 57.510 15.530 81.826 1.00 64.53 C ATOM 859 N ASN B 97 60.164 13.872 85.471 1.00 68.54 N ATOM 860 CA ASN B 97 60.766 12.789 86.271 1.00 69.59 C ATOM 861 C ASN B 97 61.564 11.734 85.481 1.00 66.00 C ATOM 862 O ASN B 97 61.820 10.649 86.009 1.00 64.86 O ATOM 863 CB ASN B 97 59.710 12.074 87.140 1.00 72.47 C ATOM 864 CG ASN B 97 58.793 13.037 87.865 1.00 74.13 C ATOM 865 OD1 ASN B 97 59.238 13.837 88.687 1.00 75.12 O ATOM 866 ND2 ASN B 97 57.502 12.959 87.564 1.00 75.04 N ATOM 867 HD22 ASN B 97 57.173 12.266 86.862 1.00 0.00 H ATOM 868 HD21 ASN B 97 56.820 13.591 88.030 1.00 0.00 H ATOM 869 H ASN B 97 60.539 14.833 85.598 1.00 0.00 H ATOM 870 N TYR B 98 61.968 12.043 84.246 1.00 61.27 N ATOM 871 CA TYR B 98 62.683 11.073 83.408 1.00 57.49 C ATOM 872 C TYR B 98 63.552 11.738 82.342 1.00 55.29 C ATOM 873 O TYR B 98 63.034 12.368 81.416 1.00 52.55 O ATOM 874 CB TYR B 98 61.702 10.102 82.741 1.00 57.44 C ATOM 875 CG TYR B 98 62.389 8.972 82.000 1.00 57.67 C ATOM 876 CD1 TYR B 98 62.486 8.977 80.609 1.00 58.15 C ATOM 877 CD2 TYR B 98 62.957 7.904 82.692 1.00 58.72 C ATOM 878 CE1 TYR B 98 63.121 7.947 79.929 1.00 58.77 C ATOM 879 CE2 TYR B 98 63.597 6.869 82.024 1.00 59.35 C ATOM 880 CZ TYR B 98 63.677 6.894 80.643 1.00 59.51 C ATOM 881 OH TYR B 98 64.306 5.868 79.976 1.00 61.80 O ATOM 882 HH TYR B 98 64.274 6.041 79.002 1.00 0.00 H ATOM 883 H TYR B 98 61.772 12.992 83.870 1.00 0.00 H ATOM 884 N HIS B 99 64.871 11.590 82.490 1.00 52.97 N ATOM 885 CA HIS B 99 65.832 11.994 81.471 1.00 52.89 C ATOM 886 C HIS B 99 66.634 10.780 81.001 1.00 51.77 C ATOM 887 O HIS B 99 67.185 10.038 81.816 1.00 52.71 O ATOM 888 CB HIS B 99 66.775 13.071 82.003 1.00 52.89 C ATOM 889 CG HIS B 99 67.610 13.711 80.938 1.00 55.26 C ATOM 890 ND1 HIS B 99 68.938 13.394 80.740 1.00 56.66 N ATOM 891 CD2 HIS B 99 67.301 14.638 80.000 1.00 55.94 C ATOM 892 CE1 HIS B 99 69.413 14.107 79.734 1.00 56.74 C ATOM 893 NE2 HIS B 99 68.440 14.868 79.266 1.00 56.93 N ATOM 894 H HIS B 99 65.228 11.168 83.371 1.00 0.00 H ATOM 895 N GLN B 100 66.695 10.598 79.683 1.00 50.24 N ATOM 896 CA GLN B 100 67.377 9.471 79.056 1.00 49.60 C ATOM 897 C GLN B 100 68.306 9.978 77.953 1.00 48.38 C ATOM 898 O GLN B 100 67.908 10.837 77.170 1.00 47.06 O ATOM 899 CB GLN B 100 66.330 8.527 78.475 1.00 50.90 C ATOM 900 CG GLN B 100 66.848 7.387 77.613 1.00 52.01 C ATOM 901 CD GLN B 100 67.618 6.341 78.396 1.00 54.01 C ATOM 902 OE1 GLN B 100 68.794 6.076 78.119 1.00 53.78 O ATOM 903 NE2 GLN B 100 66.958 5.732 79.376 1.00 54.39 N ATOM 904 HE22 GLN B 100 65.969 5.987 79.574 1.00 0.00 H ATOM 905 HE21 GLN B 100 67.430 5.001 79.945 1.00 0.00 H ATOM 906 H GLN B 100 66.232 11.297 79.068 1.00 0.00 H ATOM 907 N THR B 101 69.533 9.447 77.907 1.00 47.41 N ATOM 908 CA THR B 101 70.484 9.713 76.821 1.00 45.90 C ATOM 909 C THR B 101 71.068 8.410 76.262 1.00 45.07 C ATOM 910 O THR B 101 71.263 7.448 77.001 1.00 45.29 O ATOM 911 CB THR B 101 71.664 10.605 77.269 1.00 47.07 C ATOM 912 OG1 THR B 101 72.491 9.902 78.205 1.00 47.96 O ATOM 913 CG2 THR B 101 71.168 11.883 77.910 1.00 47.86 C ATOM 914 HG1 THR B 101 72.848 9.083 77.778 1.00 0.00 H ATOM 915 H THR B 101 69.827 8.815 78.678 1.00 0.00 H ATOM 916 N SER B 102 71.328 8.399 74.954 1.00 42.84 N ATOM 917 CA SER B 102 72.108 7.359 74.285 1.00 41.37 C ATOM 918 C SER B 102 73.233 8.055 73.541 1.00 41.01 C ATOM 919 O SER B 102 72.992 9.047 72.852 1.00 40.35 O ATOM 920 CB SER B 102 71.251 6.577 73.284 1.00 41.40 C ATOM 921 OG SER B 102 70.248 5.819 73.934 1.00 40.41 O ATOM 922 HG SER B 102 69.716 5.329 73.258 1.00 0.00 H ATOM 923 H SER B 102 70.953 9.177 74.375 1.00 0.00 H ATOM 924 N GLU B 103 74.452 7.535 73.670 1.00 42.00 N ATOM 925 CA GLU B 103 75.629 8.160 73.071 1.00 44.21 C ATOM 926 C GLU B 103 76.688 7.127 72.689 1.00 43.99 C ATOM 927 O GLU B 103 76.887 6.135 73.393 1.00 41.98 O ATOM 928 CB GLU B 103 76.230 9.179 74.041 1.00 47.62 C ATOM 929 CG GLU B 103 77.300 10.076 73.427 1.00 51.88 C ATOM 930 CD GLU B 103 77.961 11.011 74.429 1.00 55.60 C ATOM 931 OE1 GLU B 103 77.673 10.915 75.645 1.00 55.64 O ATOM 932 OE2 GLU B 103 78.783 11.850 73.992 1.00 58.68 O ATOM 933 H GLU B 103 74.570 6.657 74.214 1.00 0.00 H ATOM 934 N ILE B 104 77.353 7.375 71.564 1.00 44.85 N ATOM 935 CA ILE B 104 78.486 6.576 71.133 1.00 48.15 C ATOM 936 C ILE B 104 79.734 7.234 71.720 1.00 49.31 C ATOM 937 O ILE B 104 80.132 8.315 71.280 1.00 49.67 O ATOM 938 CB ILE B 104 78.592 6.490 69.592 1.00 48.48 C ATOM 939 CG1 ILE B 104 77.283 5.971 68.970 1.00 49.21 C ATOM 940 CG2 ILE B 104 79.771 5.613 69.176 1.00 48.73 C ATOM 941 CD1 ILE B 104 76.941 4.525 69.275 1.00 49.78 C ATOM 942 H ILE B 104 77.049 8.173 70.970 1.00 0.00 H ATOM 943 N VAL B 105 80.316 6.592 72.735 1.00 49.84 N ATOM 944 CA VAL B 105 81.543 7.061 73.380 1.00 50.90 C ATOM 945 C VAL B 105 82.647 6.054 73.077 1.00 52.38 C ATOM 946 O VAL B 105 82.605 4.928 73.569 1.00 52.62 O ATOM 947 CB VAL B 105 81.367 7.203 74.909 1.00 51.69 C ATOM 948 CG1 VAL B 105 82.608 7.831 75.543 1.00 52.34 C ATOM 949 CG2 VAL B 105 80.125 8.029 75.229 1.00 52.20 C ATOM 950 H VAL B 105 79.877 5.717 73.084 1.00 0.00 H ATOM 951 N GLY B 106 83.606 6.457 72.241 1.00 54.84 N ATOM 952 CA GLY B 106 84.789 5.648 71.912 1.00 56.20 C ATOM 953 C GLY B 106 84.527 4.187 71.591 1.00 56.02 C ATOM 954 O GLY B 106 84.958 3.298 72.336 1.00 58.67 O ATOM 955 H GLY B 106 83.512 7.393 71.798 1.00 0.00 H ATOM 956 N ASP B 107 83.813 3.944 70.492 1.00 54.68 N ATOM 957 CA ASP B 107 83.404 2.588 70.084 1.00 54.60 C ATOM 958 C ASP B 107 82.575 1.825 71.142 1.00 52.98 C ATOM 959 O ASP B 107 82.693 0.602 71.260 1.00 55.03 O ATOM 960 CB ASP B 107 84.633 1.762 69.678 1.00 55.86 C ATOM 961 H ASP B 107 83.532 4.748 69.895 1.00 0.00 H ATOM 962 N LYS B 108 81.756 2.548 71.908 1.00 50.71 N ATOM 963 CA LYS B 108 80.814 1.943 72.855 1.00 48.73 C ATOM 964 C LYS B 108 79.515 2.737 72.889 1.00 44.91 C ATOM 965 O LYS B 108 79.541 3.967 72.879 1.00 44.34 O ATOM 966 CB LYS B 108 81.382 1.910 74.273 1.00 50.68 C ATOM 967 CG LYS B 108 82.625 1.063 74.454 1.00 53.52 C ATOM 968 CD LYS B 108 83.070 1.084 75.907 1.00 54.66 C ATOM 969 CE LYS B 108 84.431 0.434 76.083 1.00 57.15 C ATOM 970 NZ LYS B 108 84.436 -0.988 75.644 1.00 58.54 N ATOM 971 HZ1 LYS B 108 83.746 -1.526 76.206 1.00 0.00 H ATOM 972 HZ2 LYS B 108 84.180 -1.040 74.637 1.00 0.00 H ATOM 973 HZ3 LYS B 108 85.385 -1.389 75.783 1.00 0.00 H ATOM 974 H LYS B 108 81.787 3.585 71.830 1.00 0.00 H ATOM 975 N LEU B 109 78.393 2.023 72.938 1.00 40.33 N ATOM 976 CA LEU B 109 77.089 2.624 73.185 1.00 38.58 C ATOM 977 C LEU B 109 76.917 2.746 74.696 1.00 38.31 C ATOM 978 O LEU B 109 76.999 1.744 75.413 1.00 36.90 O ATOM 979 CB LEU B 109 75.972 1.755 72.586 1.00 37.95 C ATOM 980 CG LEU B 109 74.519 2.212 72.766 1.00 37.76 C ATOM 981 CD1 LEU B 109 74.281 3.571 72.133 1.00 37.64 C ATOM 982 CD2 LEU B 109 73.561 1.185 72.184 1.00 38.03 C ATOM 983 H LEU B 109 78.449 0.995 72.794 1.00 0.00 H ATOM 984 N VAL B 110 76.703 3.974 75.169 1.00 39.17 N ATOM 985 CA VAL B 110 76.441 4.252 76.577 1.00 39.61 C ATOM 986 C VAL B 110 75.016 4.794 76.701 1.00 40.04 C ATOM 987 O VAL B 110 74.656 5.748 76.013 1.00 39.40 O ATOM 988 CB VAL B 110 77.437 5.282 77.147 1.00 40.71 C ATOM 989 CG1 VAL B 110 77.197 5.492 78.640 1.00 40.59 C ATOM 990 CG2 VAL B 110 78.878 4.846 76.877 1.00 40.25 C ATOM 991 H VAL B 110 76.724 4.772 74.502 1.00 0.00 H ATOM 992 N GLU B 111 74.221 4.187 77.579 1.00 40.59 N ATOM 993 CA GLU B 111 72.815 4.542 77.752 1.00 42.02 C ATOM 994 C GLU B 111 72.584 4.921 79.204 1.00 42.75 C ATOM 995 O GLU B 111 72.788 4.095 80.090 1.00 43.08 O ATOM 996 CB GLU B 111 71.914 3.373 77.338 1.00 42.32 C ATOM 997 CG GLU B 111 71.976 3.081 75.844 1.00 43.74 C ATOM 998 CD GLU B 111 71.162 1.871 75.425 1.00 45.95 C ATOM 999 OE1 GLU B 111 70.058 2.058 74.869 1.00 48.05 O ATOM 1000 OE2 GLU B 111 71.629 0.729 75.634 1.00 48.10 O ATOM 1001 H GLU B 111 74.618 3.427 78.167 1.00 0.00 H ATOM 1002 N VAL B 112 72.176 6.170 79.437 1.00 43.50 N ATOM 1003 CA VAL B 112 71.972 6.706 80.787 1.00 46.01 C ATOM 1004 C VAL B 112 70.503 7.060 80.997 1.00 48.38 C ATOM 1005 O VAL B 112 69.955 7.875 80.263 1.00 49.55 O ATOM 1006 CB VAL B 112 72.822 7.977 81.046 1.00 45.87 C ATOM 1007 CG1 VAL B 112 72.679 8.450 82.492 1.00 46.30 C ATOM 1008 CG2 VAL B 112 74.292 7.736 80.717 1.00 45.14 C ATOM 1009 H VAL B 112 71.994 6.792 78.624 1.00 0.00 H ATOM 1010 N SER B 113 69.875 6.431 81.988 1.00 52.99 N ATOM 1011 CA SER B 113 68.555 6.829 82.481 1.00 55.98 C ATOM 1012 C SER B 113 68.740 7.608 83.777 1.00 59.20 C ATOM 1013 O SER B 113 69.754 7.445 84.462 1.00 59.17 O ATOM 1014 CB SER B 113 67.686 5.601 82.745 1.00 57.18 C ATOM 1015 OG SER B 113 67.632 4.757 81.609 1.00 58.47 O ATOM 1016 HG SER B 113 67.063 3.972 81.809 1.00 0.00 H ATOM 1017 H SER B 113 70.345 5.617 82.434 1.00 0.00 H ATOM 1018 N THR B 114 67.770 8.460 84.104 1.00 61.64 N ATOM 1019 CA THR B 114 67.796 9.241 85.345 1.00 62.50 C ATOM 1020 C THR B 114 66.375 9.515 85.835 1.00 66.67 C ATOM 1021 O THR B 114 65.580 10.132 85.123 1.00 65.67 O ATOM 1022 CB THR B 114 68.530 10.584 85.155 1.00 63.05 C ATOM 1023 OG1 THR B 114 69.839 10.352 84.618 1.00 59.20 O ATOM 1024 CG2 THR B 114 68.653 11.340 86.487 1.00 63.18 C ATOM 1025 HG1 THR B 114 70.355 9.783 85.243 1.00 0.00 H ATOM 1026 H THR B 114 66.965 8.576 83.456 1.00 0.00 H ATOM 1027 N ILE B 115 66.065 9.033 87.040 1.00 71.03 N ATOM 1028 CA ILE B 115 64.790 9.303 87.719 1.00 72.44 C ATOM 1029 C ILE B 115 65.105 9.719 89.157 1.00 74.72 C ATOM 1030 O ILE B 115 65.842 9.018 89.858 1.00 76.78 O ATOM 1031 CB ILE B 115 63.862 8.065 87.718 1.00 72.33 C ATOM 1032 CG1 ILE B 115 63.545 7.643 86.279 1.00 72.64 C ATOM 1033 CG2 ILE B 115 62.567 8.355 88.478 1.00 72.39 C ATOM 1034 CD1 ILE B 115 62.847 6.308 86.149 1.00 73.91 C ATOM 1035 H ILE B 115 66.763 8.434 87.525 1.00 0.00 H ATOM 1036 N GLY B 116 64.547 10.851 89.588 1.00 75.63 N ATOM 1037 CA GLY B 116 64.831 11.406 90.914 1.00 76.58 C ATOM 1038 C GLY B 116 66.282 11.847 91.022 1.00 76.14 C ATOM 1039 O GLY B 116 66.668 12.872 90.450 1.00 79.34 O ATOM 1040 H GLY B 116 63.888 11.357 88.962 1.00 0.00 H ATOM 1041 N GLY B 117 67.076 11.070 91.760 1.00 72.80 N ATOM 1042 CA GLY B 117 68.534 11.232 91.810 1.00 71.96 C ATOM 1043 C GLY B 117 69.267 9.923 91.561 1.00 70.16 C ATOM 1044 O GLY B 117 70.404 9.753 92.011 1.00 67.90 O ATOM 1045 H GLY B 117 66.642 10.314 92.327 1.00 0.00 H ATOM 1046 N VAL B 118 68.625 9.014 90.821 1.00 68.55 N ATOM 1047 CA VAL B 118 69.123 7.656 90.599 1.00 67.11 C ATOM 1048 C VAL B 118 69.545 7.501 89.135 1.00 64.66 C ATOM 1049 O VAL B 118 68.708 7.301 88.254 1.00 63.06 O ATOM 1050 CB VAL B 118 68.051 6.601 90.965 1.00 68.02 C ATOM 1051 CG1 VAL B 118 68.617 5.188 90.840 1.00 68.69 C ATOM 1052 CG2 VAL B 118 67.513 6.853 92.369 1.00 67.95 C ATOM 1053 H VAL B 118 67.724 9.286 90.379 1.00 0.00 H ATOM 1054 N THR B 119 70.851 7.600 88.891 1.00 62.91 N ATOM 1055 CA THR B 119 71.415 7.499 87.547 1.00 60.54 C ATOM 1056 C THR B 119 71.783 6.048 87.215 1.00 58.02 C ATOM 1057 O THR B 119 72.790 5.527 87.706 1.00 59.28 O ATOM 1058 CB THR B 119 72.655 8.409 87.411 1.00 61.76 C ATOM 1059 OG1 THR B 119 72.273 9.767 87.662 1.00 62.38 O ATOM 1060 CG2 THR B 119 73.272 8.310 86.014 1.00 62.68 C ATOM 1061 HG1 THR B 119 73.066 10.353 87.576 1.00 0.00 H ATOM 1062 H THR B 119 71.497 7.756 89.691 1.00 0.00 H ATOM 1063 N TYR B 120 70.947 5.405 86.399 1.00 54.58 N ATOM 1064 CA TYR B 120 71.252 4.093 85.811 1.00 52.00 C ATOM 1065 C TYR B 120 72.074 4.294 84.542 1.00 50.87 C ATOM 1066 O TYR B 120 71.812 5.218 83.775 1.00 49.30 O ATOM 1067 CB TYR B 120 69.967 3.312 85.503 1.00 52.48 C ATOM 1068 CG TYR B 120 70.120 2.174 84.511 1.00 52.46 C ATOM 1069 CD1 TYR B 120 70.824 1.019 84.843 1.00 52.53 C ATOM 1070 CD2 TYR B 120 69.545 2.250 83.241 1.00 54.61 C ATOM 1071 CE1 TYR B 120 70.957 -0.025 83.936 1.00 52.64 C ATOM 1072 CE2 TYR B 120 69.672 1.213 82.327 1.00 53.91 C ATOM 1073 CZ TYR B 120 70.378 0.077 82.677 1.00 53.15 C ATOM 1074 OH TYR B 120 70.501 -0.948 81.767 1.00 50.85 O ATOM 1075 HH TYR B 120 71.031 -1.682 82.168 1.00 0.00 H ATOM 1076 H TYR B 120 70.037 5.853 86.168 1.00 0.00 H ATOM 1077 N GLU B 121 73.058 3.425 84.324 1.00 50.17 N ATOM 1078 CA GLU B 121 73.944 3.519 83.166 1.00 49.82 C ATOM 1079 C GLU B 121 74.269 2.131 82.623 1.00 48.97 C ATOM 1080 O GLU B 121 74.636 1.248 83.391 1.00 50.05 O ATOM 1081 CB GLU B 121 75.229 4.243 83.555 1.00 50.26 C ATOM 1082 CG GLU B 121 76.141 4.578 82.388 1.00 52.58 C ATOM 1083 CD GLU B 121 77.432 5.242 82.823 1.00 55.04 C ATOM 1084 OE1 GLU B 121 78.481 4.925 82.222 1.00 57.69 O ATOM 1085 OE2 GLU B 121 77.404 6.072 83.762 1.00 55.33 O ATOM 1086 H GLU B 121 73.202 2.650 85.003 1.00 0.00 H ATOM 1087 N ARG B 122 74.138 1.955 81.307 1.00 45.93 N ATOM 1088 CA ARG B 122 74.472 0.701 80.632 1.00 45.02 C ATOM 1089 C ARG B 122 75.520 0.968 79.554 1.00 41.78 C ATOM 1090 O ARG B 122 75.339 1.866 78.727 1.00 39.05 O ATOM 1091 CB ARG B 122 73.225 0.089 79.993 1.00 47.22 C ATOM 1092 CG ARG B 122 73.398 -1.361 79.562 1.00 49.98 C ATOM 1093 CD ARG B 122 72.311 -1.808 78.589 1.00 52.69 C ATOM 1094 NE ARG B 122 70.991 -1.901 79.220 1.00 54.96 N ATOM 1095 CZ ARG B 122 69.836 -2.061 78.567 1.00 56.40 C ATOM 1096 NH1 ARG B 122 69.797 -2.159 77.235 1.00 57.40 N ATOM 1097 NH2 ARG B 122 68.698 -2.122 79.255 1.00 56.59 N ATOM 1098 HE ARG B 122 70.950 -1.837 80.257 1.00 0.00 H ATOM 1099 HH12 ARG B 122 68.886 -2.283 76.749 1.00 0.00 H ATOM 1100 HH11 ARG B 122 70.678 -2.111 76.684 1.00 0.00 H ATOM 1101 HH22 ARG B 122 67.794 -2.246 78.755 1.00 0.00 H ATOM 1102 HH21 ARG B 122 68.713 -2.045 80.292 1.00 0.00 H ATOM 1103 H ARG B 122 73.782 2.747 80.734 1.00 0.00 H ATOM 1104 N VAL B 123 76.596 0.176 79.564 1.00 38.31 N ATOM 1105 CA VAL B 123 77.669 0.261 78.571 1.00 36.71 C ATOM 1106 C VAL B 123 77.686 -1.007 77.720 1.00 35.35 C ATOM 1107 O VAL B 123 77.567 -2.120 78.248 1.00 34.78 O ATOM 1108 CB VAL B 123 79.044 0.448 79.248 1.00 38.14 C ATOM 1109 CG1 VAL B 123 80.160 0.540 78.204 1.00 38.53 C ATOM 1110 CG2 VAL B 123 79.026 1.685 80.142 1.00 38.45 C ATOM 1111 H VAL B 123 76.676 -0.538 80.316 1.00 0.00 H ATOM 1112 N SER B 124 77.847 -0.829 76.409 1.00 34.67 N ATOM 1113 CA SER B 124 77.810 -1.927 75.449 1.00 34.83 C ATOM 1114 C SER B 124 78.924 -1.776 74.415 1.00 35.52 C ATOM 1115 O SER B 124 79.103 -0.698 73.863 1.00 37.74 O ATOM 1116 CB SER B 124 76.450 -1.960 74.745 1.00 35.29 C ATOM 1117 OG SER B 124 75.395 -2.105 75.678 1.00 34.89 O ATOM 1118 HG SER B 124 75.407 -1.342 76.309 1.00 0.00 H ATOM 1119 H SER B 124 78.006 0.136 76.054 1.00 0.00 H ATOM 1120 N LYS B 125 79.654 -2.860 74.156 1.00 36.48 N ATOM 1121 CA LYS B 125 80.800 -2.863 73.233 1.00 36.57 C ATOM 1122 C LYS B 125 80.356 -3.106 71.792 1.00 37.66 C ATOM 1123 O LYS B 125 79.551 -4.004 71.533 1.00 37.42 O ATOM 1124 CB LYS B 125 81.789 -3.964 73.625 1.00 35.32 C ATOM 1125 H LYS B 125 79.401 -3.750 74.631 1.00 0.00 H ATOM 1126 N ARG B 126 80.905 -2.331 70.857 1.00 38.32 N ATOM 1127 CA ARG B 126 80.600 -2.497 69.433 1.00 39.39 C ATOM 1128 C ARG B 126 81.053 -3.879 68.954 1.00 41.04 C ATOM 1129 O ARG B 126 82.191 -4.277 69.207 1.00 41.99 O ATOM 1130 CB ARG B 126 81.274 -1.393 68.609 1.00 39.33 C ATOM 1131 CG ARG B 126 80.912 -1.377 67.131 1.00 40.65 C ATOM 1132 CD ARG B 126 81.603 -0.233 66.402 1.00 41.34 C ATOM 1133 NE ARG B 126 81.033 1.073 66.748 1.00 41.94 N ATOM 1134 CZ ARG B 126 79.907 1.588 66.245 1.00 40.69 C ATOM 1135 NH1 ARG B 126 79.176 0.922 65.348 1.00 40.59 N ATOM 1136 NH2 ARG B 126 79.504 2.791 66.648 1.00 41.06 N ATOM 1137 HE ARG B 126 81.549 1.648 67.444 1.00 0.00 H ATOM 1138 HH12 ARG B 126 78.303 1.344 64.971 1.00 0.00 H ATOM 1139 HH11 ARG B 126 79.479 -0.019 65.026 1.00 0.00 H ATOM 1140 HH22 ARG B 126 78.629 3.202 66.264 1.00 0.00 H ATOM 1141 HH21 ARG B 126 80.064 3.320 67.347 1.00 0.00 H ATOM 1142 H ARG B 126 81.570 -1.586 71.147 1.00 0.00 H ATOM 1143 N LEU B 127 80.150 -4.606 68.292 1.00 41.66 N ATOM 1144 CA LEU B 127 80.454 -5.919 67.714 1.00 42.32 C ATOM 1145 C LEU B 127 80.865 -5.764 66.255 1.00 43.61 C ATOM 1146 O LEU B 127 80.778 -4.676 65.684 1.00 46.16 O ATOM 1147 CB LEU B 127 79.247 -6.855 67.806 1.00 41.93 C ATOM 1148 CG LEU B 127 78.726 -7.199 69.204 1.00 43.30 C ATOM 1149 CD1 LEU B 127 77.407 -7.955 69.111 1.00 42.72 C ATOM 1150 CD2 LEU B 127 79.749 -8.009 69.984 1.00 42.98 C ATOM 1151 H LEU B 127 79.189 -4.224 68.181 1.00 0.00 H TER 1152 LEU B 127 HETATM 1153 O HOH 1 74.517 0.284 76.278 1.00 38.57 O HETATM 1154 O HOH 2 74.281 8.523 76.863 1.00 36.42 O HETATM 1155 O HOH 3 69.049 4.346 75.835 1.00 45.16 O HETATM 1156 O HOH 4 61.681 15.535 62.572 1.00 33.15 O HETATM 1157 O HOH 5 61.179 10.299 68.520 1.00 37.03 O HETATM 1158 O HOH 6 73.232 -3.823 74.295 1.00 29.09 O HETATM 1159 O HOH 7 64.028 -0.780 71.313 1.00 32.03 O HETATM 1160 O HOH 8 68.704 0.675 77.187 1.00 54.77 O HETATM 1161 O HOH 9 70.780 -14.086 76.798 1.00 37.01 O HETATM 1162 O HOH 10 61.445 13.725 75.235 1.00 40.58 O HETATM 1163 O HOH 11 67.560 -2.779 64.672 1.00 41.18 O HETATM 1164 O HOH 12 69.513 -0.409 73.537 1.00 35.84 O HETATM 1165 O HOH 13 73.689 -2.625 87.778 1.00 40.91 O HETATM 1166 O HOH 14 58.673 8.988 65.782 1.00 30.22 O HETATM 1167 O HOH 15 52.714 8.066 77.580 1.00 39.08 O HETATM 1168 O HOH 16 67.635 -5.639 80.959 1.00 57.44 O HETATM 1169 O HOH 17 75.738 6.557 90.883 1.00 50.17 O HETATM 1170 O HOH 18 58.449 4.009 68.384 1.00 45.75 O HETATM 1171 O HOH 19 75.232 -9.071 77.343 1.00 42.81 O HETATM 1172 O HOH 20 62.303 4.448 61.498 1.00 40.78 O HETATM 1173 O HOH 21 65.410 11.309 57.326 1.00 37.16 O HETATM 1174 O HOH 22 73.881 16.692 66.775 1.00 49.41 O HETATM 1175 C1 CHD A 23 65.706 6.563 73.833 1.00 -0.04 C HETATM 1176 C2 CHD A 23 67.162 6.352 73.463 1.00 -0.03 C HETATM 1177 C3 CHD A 23 67.275 5.933 72.008 1.00 0.06 C HETATM 1178 O3 CHD A 23 68.646 5.639 71.753 1.00 -0.39 O HETATM 1179 H6 CHD A 23 68.930 4.935 72.325 1.00 0.21 H HETATM 1180 C4 CHD A 23 66.418 4.701 71.708 1.00 -0.02 C HETATM 1181 C5 CHD A 23 64.967 4.825 72.204 1.00 -0.03 C HETATM 1182 C6 CHD A 23 64.213 3.510 71.928 1.00 -0.02 C HETATM 1183 C7 CHD A 23 64.334 2.406 72.991 1.00 0.06 C HETATM 1184 O7 CHD A 23 65.543 1.678 72.747 1.00 -0.39 O HETATM 1185 H13 CHD A 23 65.634 0.990 73.396 1.00 0.21 H HETATM 1186 C8 CHD A 23 64.287 2.920 74.435 1.00 -0.01 C HETATM 1187 C9 CHD A 23 65.241 4.121 74.595 1.00 -0.03 C HETATM 1188 C10 CHD A 23 64.851 5.301 73.664 1.00 -0.03 C HETATM 1189 C19 CHD A 23 63.422 5.808 73.911 1.00 -0.06 C HETATM 1190 H29 CHD A 23 63.205 6.640 73.225 1.00 0.02 H HETATM 1191 H30 CHD A 23 63.331 6.156 74.950 1.00 0.02 H HETATM 1192 H31 CHD A 23 62.707 4.991 73.734 1.00 0.02 H HETATM 1193 C11 CHD A 23 65.487 4.531 76.058 1.00 -0.02 C HETATM 1194 C12 CHD A 23 65.687 3.388 77.059 1.00 0.06 C HETATM 1195 O12 CHD A 23 67.020 2.863 76.915 1.00 -0.39 O HETATM 1196 H19 CHD A 23 67.651 3.552 77.086 1.00 0.21 H HETATM 1197 C13 CHD A 23 64.622 2.298 76.915 1.00 0.00 C HETATM 1198 C14 CHD A 23 64.630 1.836 75.459 1.00 -0.03 C HETATM 1199 C15 CHD A 23 63.764 0.587 75.449 1.00 -0.05 C HETATM 1200 C16 CHD A 23 64.054 -0.047 76.809 1.00 -0.05 C HETATM 1201 C17 CHD A 23 64.892 0.959 77.618 1.00 -0.03 C HETATM 1202 C20 CHD A 23 64.652 0.824 79.139 1.00 -0.04 C HETATM 1203 C21 CHD A 23 65.432 1.852 79.973 1.00 -0.06 C HETATM 1204 H33 CHD A 23 65.215 1.699 81.040 1.00 0.02 H HETATM 1205 H34 CHD A 23 65.129 2.868 79.680 1.00 0.02 H HETATM 1206 H35 CHD A 23 66.510 1.725 79.796 1.00 0.02 H HETATM 1207 C22 CHD A 23 64.932 -0.639 79.532 1.00 -0.04 C HETATM 1208 C23 CHD A 23 65.421 -0.913 80.950 1.00 0.00 C HETATM 1209 C24 CHD A 23 65.528 -2.408 81.096 1.00 0.03 C HETATM 1210 O25 CHD A 23 64.498 -3.054 81.396 1.00 -0.57 O HETATM 1211 O26 CHD A 23 66.642 -2.933 80.890 1.00 -0.57 O HETATM 1212 H38 CHD A 23 64.704 -0.512 81.681 1.00 0.04 H HETATM 1213 H39 CHD A 23 66.405 -0.447 81.108 1.00 0.04 H HETATM 1214 H36 CHD A 23 65.697 -1.024 78.841 1.00 0.03 H HETATM 1215 H37 CHD A 23 63.996 -1.201 79.393 1.00 0.03 H HETATM 1216 H32 CHD A 23 63.585 1.018 79.326 1.00 0.03 H HETATM 1217 H25 CHD A 23 65.957 0.728 77.469 1.00 0.03 H HETATM 1218 H23 CHD A 23 64.617 -0.983 76.675 1.00 0.03 H HETATM 1219 H24 CHD A 23 63.111 -0.258 77.334 1.00 0.03 H HETATM 1220 H21 CHD A 23 64.053 -0.087 74.629 1.00 0.03 H HETATM 1221 H22 CHD A 23 62.699 0.846 75.353 1.00 0.03 H HETATM 1222 H20 CHD A 23 65.656 1.523 75.216 1.00 0.03 H HETATM 1223 C18 CHD A 23 63.260 2.865 77.368 1.00 -0.06 C HETATM 1224 H26 CHD A 23 63.075 3.823 76.860 1.00 0.02 H HETATM 1225 H27 CHD A 23 63.272 3.023 78.457 1.00 0.02 H HETATM 1226 H28 CHD A 23 62.462 2.153 77.110 1.00 0.02 H HETATM 1227 H18 CHD A 23 65.594 3.805 78.073 1.00 0.06 H HETATM 1228 H16 CHD A 23 64.620 5.120 76.391 1.00 0.03 H HETATM 1229 H17 CHD A 23 66.389 5.160 76.083 1.00 0.03 H HETATM 1230 H15 CHD A 23 66.217 3.770 74.229 1.00 0.03 H HETATM 1231 H14 CHD A 23 63.261 3.262 74.638 1.00 0.03 H HETATM 1232 H12 CHD A 23 63.484 1.720 72.861 1.00 0.06 H HETATM 1233 H10 CHD A 23 64.592 3.102 70.980 1.00 0.03 H HETATM 1234 H11 CHD A 23 63.146 3.754 71.822 1.00 0.03 H HETATM 1235 H9 CHD A 23 64.487 5.603 71.591 1.00 0.03 H HETATM 1236 H7 CHD A 23 66.879 3.829 72.196 1.00 0.03 H HETATM 1237 H8 CHD A 23 66.401 4.546 70.619 1.00 0.03 H HETATM 1238 H5 CHD A 23 66.946 6.761 71.363 1.00 0.06 H HETATM 1239 H3 CHD A 23 67.590 5.566 74.102 1.00 0.03 H HETATM 1240 H4 CHD A 23 67.716 7.290 73.615 1.00 0.03 H HETATM 1241 H1 CHD A 23 65.293 7.354 73.190 1.00 0.03 H HETATM 1242 H2 CHD A 23 65.655 6.882 74.885 1.00 0.03 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1175 1176 1188 1241 1242 CONECT 1176 1175 1177 1239 1240 CONECT 1177 1176 1178 1180 1238 CONECT 1178 1177 1179 CONECT 1179 1178 CONECT 1180 1177 1181 1236 1237 CONECT 1181 1180 1182 1188 1235 CONECT 1182 1181 1183 1233 1234 CONECT 1183 1182 1184 1186 1232 CONECT 1184 1183 1185 CONECT 1185 1184 CONECT 1186 1183 1187 1198 1231 CONECT 1187 1186 1188 1193 1230 CONECT 1188 1175 1181 1187 1189 CONECT 1189 1188 1190 1191 1192 CONECT 1190 1189 CONECT 1191 1189 CONECT 1192 1189 CONECT 1193 1187 1194 1228 1229 CONECT 1194 1193 1195 1197 1227 CONECT 1195 1194 1196 CONECT 1196 1195 CONECT 1197 1194 1198 1201 1223 CONECT 1198 1186 1197 1199 1222 CONECT 1199 1198 1200 1220 1221 CONECT 1200 1199 1201 1218 1219 CONECT 1201 1197 1200 1202 1217 CONECT 1202 1201 1203 1207 1216 CONECT 1203 1202 1204 1205 1206 CONECT 1204 1203 CONECT 1205 1203 CONECT 1206 1203 CONECT 1207 1202 1208 1214 1215 CONECT 1208 1207 1209 1212 1213 CONECT 1209 1208 1210 1211 CONECT 1210 1209 CONECT 1211 1209 CONECT 1212 1208 CONECT 1213 1208 CONECT 1214 1207 CONECT 1215 1207 CONECT 1216 1202 CONECT 1217 1201 CONECT 1218 1200 CONECT 1219 1200 CONECT 1220 1199 CONECT 1221 1199 CONECT 1222 1198 CONECT 1223 1197 1224 1225 1226 CONECT 1224 1223 CONECT 1225 1223 CONECT 1226 1223 CONECT 1227 1194 CONECT 1228 1193 CONECT 1229 1193 CONECT 1230 1187 CONECT 1231 1186 CONECT 1232 1183 CONECT 1233 1182 CONECT 1234 1182 CONECT 1235 1181 CONECT 1236 1180 CONECT 1237 1180 CONECT 1238 1177 CONECT 1239 1176 CONECT 1240 1176 CONECT 1241 1175 CONECT 1242 1175 MASTER 0 0 0 0 0 0 0 0 1241 1 72 10 END
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Structure:
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Related entries of code: 5l8o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5l8n
RCSB PDB
PDBbind
128aa, >5L8N_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3qps
RCSB PDB
PDBbind
CHD
Entry Information
PDB ID
5l8o
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human Fatty acid binding protein 6 (FABP6)
Ligand Name
CHD
EC.Number
E.C.-.-.-.-
Resolution
2.39(Å)
Affinity (Kd/Ki/IC50)
Kd=415uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 8094-8102
Ligand Properties
Formula
C
2
4
H
4
0
O
5
Molecular Weight
408.571
Exact Mass
408.288
No. of atoms
69
No. of bonds
72
Polar Surface Area
97.99
LOGP Value
5.02 (
Computed with XLOGP3
)
3.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C
InChI String
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P51161
Entrez Gene ID
NCBI Entrez Gene ID:
2172
ASD
Information of known allosteric effects of PDB entries
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