Browse entries in the PDBbind-CN Database
HEADER 2HMB_COMPLEX COMPND 2HMB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 VAL ASP ALA PHE LEU GLY THR TRP LYS LEU VAL ASP SER SEQRES 2 A 131 LYS ASN PHE ASP ASP TYR MET LYS SER LEU GLY VAL GLY SEQRES 3 A 131 PHE ALA THR ARG GLN VAL ALA SER MET THR LYS PRO THR SEQRES 4 A 131 THR ILE ILE GLU LYS ASN GLY ASP ILE LEU THR LEU LYS SEQRES 5 A 131 THR HIS SER THR PHE LYS ASN THR GLU ILE SER PHE LYS SEQRES 6 A 131 LEU GLY VAL GLU PHE ASP GLU THR THR ALA ASP ASP ARG SEQRES 7 A 131 LYS VAL LYS SER ILE VAL THR LEU ASP GLY GLY LYS LEU SEQRES 8 A 131 VAL HIS LEU GLN LYS TRP ASP GLY GLN GLU THR THR LEU SEQRES 9 A 131 VAL ARG GLU LEU ILE ASP GLY LYS LEU ILE LEU THR LEU SEQRES 10 A 131 THR HIS GLY THR ALA VAL CYS THR ARG THR TYR GLU LYS SEQRES 11 A 131 GLU HET PLM A 186 49 ATOM 1 N VAL A 1 22.652 40.146 34.517 1.00 27.87 N ATOM 2 CA VAL A 1 22.043 40.385 35.820 1.00 9.93 C ATOM 3 C VAL A 1 20.507 40.264 35.808 1.00 16.21 C ATOM 4 O VAL A 1 19.887 39.924 36.811 1.00 19.33 O ATOM 5 CB VAL A 1 22.522 41.699 36.434 1.00 34.85 C ATOM 6 CG1 VAL A 1 21.904 42.880 35.691 1.00 36.46 C ATOM 7 CG2 VAL A 1 22.168 41.773 37.921 1.00 16.05 C ATOM 8 HA VAL A 1 22.389 39.581 36.470 1.00 0.00 H ATOM 9 HB VAL A 1 23.607 41.742 36.339 1.00 0.00 H ATOM 10 HG11 VAL A 1 22.202 42.844 34.643 1.00 0.00 H ATOM 11 HG12 VAL A 1 20.818 42.825 35.764 1.00 0.00 H ATOM 12 HG13 VAL A 1 22.253 43.811 36.138 1.00 0.00 H ATOM 13 HG21 VAL A 1 21.087 41.706 38.040 1.00 0.00 H ATOM 14 HG22 VAL A 1 22.645 40.947 38.448 1.00 0.00 H ATOM 15 HG23 VAL A 1 22.521 42.719 38.331 1.00 0.00 H ATOM 16 HN3 VAL A 1 22.288 40.840 33.833 1.00 0.00 H ATOM 17 HN2 VAL A 1 22.416 39.185 34.196 1.00 0.00 H ATOM 18 HN1 VAL A 1 23.685 40.243 34.595 1.00 0.00 H ATOM 19 N ASP A 2 19.894 40.521 34.648 1.00 24.71 N ATOM 20 CA ASP A 2 18.438 40.499 34.522 1.00 28.57 C ATOM 21 C ASP A 2 17.688 39.223 34.928 1.00 15.85 C ATOM 22 O ASP A 2 16.518 39.279 35.294 1.00 11.97 O ATOM 23 CB ASP A 2 17.886 41.056 33.187 1.00 23.13 C ATOM 24 CG ASP A 2 18.486 42.343 32.708 1.00 19.38 C ATOM 25 OD1 ASP A 2 19.587 42.413 32.204 1.00 37.32 O ATOM 26 OD2 ASP A 2 17.676 43.372 32.858 1.00 24.74 O ATOM 27 HA ASP A 2 18.204 41.208 35.316 1.00 0.00 H ATOM 28 HB2 ASP A 2 18.055 40.303 32.417 1.00 0.00 H ATOM 29 HB3 ASP A 2 16.815 41.214 33.310 1.00 0.00 H ATOM 30 H ASP A 2 20.470 40.743 33.811 1.00 0.00 H ATOM 31 N ALA A 3 18.272 38.048 34.847 1.00 11.64 N ATOM 32 CA ALA A 3 17.476 36.889 35.226 1.00 16.63 C ATOM 33 C ALA A 3 17.399 36.638 36.728 1.00 32.24 C ATOM 34 O ALA A 3 16.699 35.734 37.173 1.00 27.07 O ATOM 35 CB ALA A 3 17.859 35.649 34.451 1.00 11.76 C ATOM 36 HA ALA A 3 16.457 37.146 34.938 1.00 0.00 H ATOM 37 HB1 ALA A 3 17.710 35.827 33.386 1.00 0.00 H ATOM 38 HB2 ALA A 3 18.907 35.414 34.638 1.00 0.00 H ATOM 39 HB3 ALA A 3 17.236 34.814 34.772 1.00 0.00 H ATOM 40 H ALA A 3 19.257 37.951 34.527 1.00 0.00 H ATOM 41 N PHE A 4 18.127 37.459 37.490 1.00 14.61 N ATOM 42 CA PHE A 4 18.173 37.393 38.939 1.00 3.20 C ATOM 43 C PHE A 4 17.014 38.165 39.590 1.00 11.38 C ATOM 44 O PHE A 4 16.630 37.855 40.719 1.00 7.20 O ATOM 45 CB PHE A 4 19.555 37.883 39.471 1.00 10.33 C ATOM 46 CG PHE A 4 20.635 36.794 39.426 1.00 18.55 C ATOM 47 CD1 PHE A 4 20.539 35.659 40.230 1.00 25.47 C ATOM 48 CD2 PHE A 4 21.726 36.887 38.575 1.00 49.92 C ATOM 49 CE1 PHE A 4 21.499 34.649 40.195 1.00 29.58 C ATOM 50 CE2 PHE A 4 22.702 35.884 38.522 1.00 20.27 C ATOM 51 CZ PHE A 4 22.583 34.761 39.327 1.00 26.64 C ATOM 52 HA PHE A 4 18.051 36.348 39.223 1.00 0.00 H ATOM 53 HB2 PHE A 4 19.884 38.724 38.861 1.00 0.00 H ATOM 54 HB3 PHE A 4 19.434 38.210 40.504 1.00 0.00 H ATOM 55 HD2 PHE A 4 21.826 37.761 37.932 1.00 0.00 H ATOM 56 HE2 PHE A 4 23.554 35.986 37.849 1.00 0.00 H ATOM 57 HZ PHE A 4 23.333 33.971 39.281 1.00 0.00 H ATOM 58 HE1 PHE A 4 21.402 33.777 40.842 1.00 0.00 H ATOM 59 HD1 PHE A 4 19.689 35.559 40.905 1.00 0.00 H ATOM 60 H PHE A 4 18.695 38.190 37.016 1.00 0.00 H ATOM 61 N LEU A 5 16.472 39.161 38.855 1.00 13.39 N ATOM 62 CA LEU A 5 15.399 40.084 39.273 1.00 1.00 C ATOM 63 C LEU A 5 14.059 39.423 39.653 1.00 11.57 C ATOM 64 O LEU A 5 13.631 38.478 38.989 1.00 12.88 O ATOM 65 CB LEU A 5 15.156 41.158 38.174 1.00 5.41 C ATOM 66 CG LEU A 5 16.388 41.969 37.744 1.00 15.66 C ATOM 67 CD1 LEU A 5 16.037 42.942 36.612 1.00 22.97 C ATOM 68 CD2 LEU A 5 16.959 42.737 38.924 1.00 21.91 C ATOM 69 HA LEU A 5 15.769 40.535 40.194 1.00 0.00 H ATOM 70 HB2 LEU A 5 14.765 40.651 37.292 1.00 0.00 H ATOM 71 HB3 LEU A 5 14.410 41.858 38.550 1.00 0.00 H ATOM 72 HG LEU A 5 17.138 41.268 37.379 1.00 0.00 H ATOM 73 HD21 LEU A 5 16.203 43.420 39.312 1.00 0.00 H ATOM 74 HD22 LEU A 5 17.252 42.035 39.705 1.00 0.00 H ATOM 75 HD23 LEU A 5 17.831 43.305 38.599 1.00 0.00 H ATOM 76 HD11 LEU A 5 15.670 42.381 35.753 1.00 0.00 H ATOM 77 HD12 LEU A 5 15.265 43.632 36.954 1.00 0.00 H ATOM 78 HD13 LEU A 5 16.927 43.503 36.328 1.00 0.00 H ATOM 79 H LEU A 5 16.850 39.291 37.895 1.00 0.00 H ATOM 80 N GLY A 6 13.386 39.946 40.721 1.00 15.96 N ATOM 81 CA GLY A 6 12.071 39.459 41.200 1.00 4.18 C ATOM 82 C GLY A 6 12.008 38.963 42.661 1.00 7.71 C ATOM 83 O GLY A 6 12.971 39.089 43.410 1.00 17.40 O ATOM 84 HA3 GLY A 6 11.770 38.632 40.557 1.00 0.00 H ATOM 85 HA2 GLY A 6 11.358 40.277 41.097 1.00 0.00 H ATOM 86 H GLY A 6 13.826 40.738 41.231 1.00 0.00 H ATOM 87 N THR A 7 10.839 38.370 43.027 1.00 16.14 N ATOM 88 CA THR A 7 10.498 37.799 44.343 1.00 16.28 C ATOM 89 C THR A 7 10.748 36.267 44.409 1.00 14.36 C ATOM 90 O THR A 7 10.292 35.506 43.576 1.00 16.68 O ATOM 91 CB THR A 7 9.053 38.215 44.747 1.00 18.59 C ATOM 92 OG1 THR A 7 8.938 39.624 44.639 1.00 17.26 O ATOM 93 CG2 THR A 7 8.676 37.794 46.172 1.00 14.94 C ATOM 94 HA THR A 7 11.174 38.218 45.088 1.00 0.00 H ATOM 95 HB THR A 7 8.369 37.701 44.071 1.00 0.00 H ATOM 96 HG1 THR A 7 8.022 39.900 44.894 1.00 0.00 H ATOM 97 HG23 THR A 7 8.762 36.711 46.264 1.00 0.00 H ATOM 98 HG21 THR A 7 9.349 38.275 46.882 1.00 0.00 H ATOM 99 HG22 THR A 7 7.650 38.098 46.380 1.00 0.00 H ATOM 100 H THR A 7 10.102 38.313 42.295 1.00 0.00 H ATOM 101 N TRP A 8 11.491 35.810 45.416 1.00 12.19 N ATOM 102 CA TRP A 8 11.835 34.406 45.613 1.00 5.36 C ATOM 103 C TRP A 8 11.596 34.013 47.065 1.00 15.48 C ATOM 104 O TRP A 8 11.903 34.801 47.947 1.00 21.08 O ATOM 105 CB TRP A 8 13.351 34.213 45.422 1.00 20.36 C ATOM 106 CG TRP A 8 13.881 34.779 44.155 1.00 11.03 C ATOM 107 CD1 TRP A 8 14.131 36.080 43.878 1.00 30.77 C ATOM 108 CD2 TRP A 8 14.160 34.029 42.979 1.00 11.82 C ATOM 109 NE1 TRP A 8 14.580 36.206 42.591 1.00 8.97 N ATOM 110 CE2 TRP A 8 14.620 34.958 42.024 1.00 26.79 C ATOM 111 CE3 TRP A 8 14.080 32.681 42.668 1.00 16.92 C ATOM 112 CZ2 TRP A 8 15.004 34.519 40.760 1.00 21.68 C ATOM 113 CZ3 TRP A 8 14.485 32.248 41.429 1.00 9.28 C ATOM 114 CH2 TRP A 8 14.932 33.169 40.485 1.00 13.46 C ATOM 115 HA TRP A 8 11.238 33.822 44.913 1.00 0.00 H ATOM 116 HB2 TRP A 8 13.865 34.695 46.254 1.00 0.00 H ATOM 117 HB3 TRP A 8 13.564 33.144 45.435 1.00 0.00 H ATOM 118 HE1 TRP A 8 14.845 37.096 42.123 1.00 0.00 H ATOM 119 HD1 TRP A 8 13.995 36.906 44.577 1.00 0.00 H ATOM 120 HZ2 TRP A 8 15.353 35.225 40.006 1.00 0.00 H ATOM 121 HH2 TRP A 8 15.234 32.813 39.500 1.00 0.00 H ATOM 122 HZ3 TRP A 8 14.457 31.186 41.185 1.00 0.00 H ATOM 123 HE3 TRP A 8 13.699 31.970 43.401 1.00 0.00 H ATOM 124 H TRP A 8 11.849 36.500 46.107 1.00 0.00 H ATOM 125 N LYS A 9 11.118 32.788 47.314 1.00 3.44 N ATOM 126 CA LYS A 9 10.868 32.258 48.669 1.00 17.93 C ATOM 127 C LYS A 9 11.718 30.994 48.954 1.00 14.37 C ATOM 128 O LYS A 9 11.947 30.201 48.034 1.00 16.53 O ATOM 129 CB LYS A 9 9.383 31.960 48.858 1.00 19.22 C ATOM 130 CG LYS A 9 8.588 33.070 49.539 1.00 32.95 C ATOM 131 CD LYS A 9 8.667 33.032 51.061 1.00100.00 C ATOM 132 CE LYS A 9 8.296 31.687 51.670 1.00100.00 C ATOM 133 NZ LYS A 9 9.193 30.589 51.276 1.00 93.78 N ATOM 134 HA LYS A 9 11.167 33.023 49.385 1.00 0.00 H ATOM 135 HB2 LYS A 9 8.945 31.783 47.876 1.00 0.00 H ATOM 136 HB3 LYS A 9 9.292 31.058 49.463 1.00 0.00 H ATOM 137 HG2 LYS A 9 8.974 34.030 49.197 1.00 0.00 H ATOM 138 HG3 LYS A 9 7.543 32.975 49.245 1.00 0.00 H ATOM 139 HD2 LYS A 9 9.688 33.272 51.357 1.00 0.00 H ATOM 140 HD3 LYS A 9 7.988 33.787 51.458 1.00 0.00 H ATOM 141 HE2 LYS A 9 7.284 31.434 51.355 1.00 0.00 H ATOM 142 HE3 LYS A 9 8.324 31.781 52.756 1.00 0.00 H ATOM 143 HZ1 LYS A 9 9.169 30.478 50.242 1.00 0.00 H ATOM 144 HZ2 LYS A 9 10.163 30.809 51.580 1.00 0.00 H ATOM 145 HZ3 LYS A 9 8.879 29.707 51.728 1.00 0.00 H ATOM 146 H LYS A 9 10.910 32.171 46.503 1.00 0.00 H ATOM 147 N LEU A 10 12.184 30.803 50.215 1.00 15.88 N ATOM 148 CA LEU A 10 13.029 29.661 50.637 1.00 13.32 C ATOM 149 C LEU A 10 12.309 28.325 50.581 1.00 19.41 C ATOM 150 O LEU A 10 11.290 28.195 51.218 1.00 8.52 O ATOM 151 CB LEU A 10 13.537 29.845 52.093 1.00 7.32 C ATOM 152 CG LEU A 10 14.516 28.754 52.544 1.00 9.52 C ATOM 153 CD1 LEU A 10 15.824 28.848 51.780 1.00 6.38 C ATOM 154 CD2 LEU A 10 14.813 28.916 54.026 1.00 21.57 C ATOM 155 HA LEU A 10 13.856 29.650 49.927 1.00 0.00 H ATOM 156 HB2 LEU A 10 14.039 30.810 52.164 1.00 0.00 H ATOM 157 HB3 LEU A 10 12.677 29.835 52.762 1.00 0.00 H ATOM 158 HG LEU A 10 14.055 27.786 52.349 1.00 0.00 H ATOM 159 HD21 LEU A 10 15.256 29.896 54.201 1.00 0.00 H ATOM 160 HD22 LEU A 10 13.886 28.828 54.593 1.00 0.00 H ATOM 161 HD23 LEU A 10 15.509 28.139 54.343 1.00 0.00 H ATOM 162 HD11 LEU A 10 15.630 28.726 50.714 1.00 0.00 H ATOM 163 HD12 LEU A 10 16.279 29.822 51.959 1.00 0.00 H ATOM 164 HD13 LEU A 10 16.499 28.063 52.120 1.00 0.00 H ATOM 165 H LEU A 10 11.930 31.508 50.936 1.00 0.00 H ATOM 166 N VAL A 11 12.872 27.311 49.895 1.00 15.89 N ATOM 167 CA VAL A 11 12.217 25.998 49.830 1.00 10.86 C ATOM 168 C VAL A 11 12.993 24.843 50.461 1.00 37.04 C ATOM 169 O VAL A 11 12.371 23.839 50.780 1.00 17.16 O ATOM 170 CB VAL A 11 11.640 25.606 48.458 1.00 15.16 C ATOM 171 CG1 VAL A 11 10.638 26.640 47.946 1.00 21.11 C ATOM 172 CG2 VAL A 11 12.752 25.414 47.434 1.00 8.93 C ATOM 173 HA VAL A 11 11.356 26.172 50.476 1.00 0.00 H ATOM 174 HB VAL A 11 11.113 24.661 48.594 1.00 0.00 H ATOM 175 HG11 VAL A 11 9.813 26.725 48.653 1.00 0.00 H ATOM 176 HG12 VAL A 11 11.134 27.606 47.846 1.00 0.00 H ATOM 177 HG13 VAL A 11 10.256 26.324 46.975 1.00 0.00 H ATOM 178 HG21 VAL A 11 13.310 26.344 47.327 1.00 0.00 H ATOM 179 HG22 VAL A 11 13.422 24.623 47.771 1.00 0.00 H ATOM 180 HG23 VAL A 11 12.316 25.138 46.474 1.00 0.00 H ATOM 181 H VAL A 11 13.778 27.459 49.407 1.00 0.00 H ATOM 182 N ASP A 12 14.335 24.978 50.625 1.00 15.40 N ATOM 183 CA ASP A 12 15.198 23.948 51.234 1.00 14.76 C ATOM 184 C ASP A 12 16.511 24.528 51.844 1.00 30.00 C ATOM 185 O ASP A 12 17.136 25.406 51.263 1.00 19.18 O ATOM 186 CB ASP A 12 15.513 22.840 50.200 1.00 20.56 C ATOM 187 CG ASP A 12 16.311 21.667 50.745 1.00 59.13 C ATOM 188 OD1 ASP A 12 15.827 20.805 51.415 1.00 10.63 O ATOM 189 OD2 ASP A 12 17.576 21.646 50.410 1.00 15.31 O ATOM 190 HA ASP A 12 14.641 23.520 52.068 1.00 0.00 H ATOM 191 HB2 ASP A 12 14.568 22.457 49.814 1.00 0.00 H ATOM 192 HB3 ASP A 12 16.082 23.288 49.385 1.00 0.00 H ATOM 193 H ASP A 12 14.781 25.860 50.302 1.00 0.00 H ATOM 194 N SER A 13 16.959 24.050 53.024 1.00 14.23 N ATOM 195 CA SER A 13 18.208 24.534 53.637 1.00 7.10 C ATOM 196 C SER A 13 19.094 23.398 54.164 1.00 34.68 C ATOM 197 O SER A 13 18.593 22.477 54.796 1.00 8.71 O ATOM 198 CB SER A 13 18.009 25.571 54.735 1.00 23.07 C ATOM 199 OG SER A 13 19.228 25.756 55.431 1.00 22.53 O ATOM 200 HA SER A 13 18.719 25.029 52.811 1.00 0.00 H ATOM 201 HB2 SER A 13 17.242 25.225 55.428 1.00 0.00 H ATOM 202 HB3 SER A 13 17.696 26.516 54.291 1.00 0.00 H ATOM 203 HG SER A 13 19.511 24.897 55.833 1.00 0.00 H ATOM 204 H SER A 13 16.406 23.319 53.515 1.00 0.00 H ATOM 205 N LYS A 14 20.414 23.476 53.913 1.00 8.20 N ATOM 206 CA LYS A 14 21.348 22.460 54.368 1.00 7.23 C ATOM 207 C LYS A 14 22.632 23.008 55.029 1.00 7.18 C ATOM 208 O LYS A 14 23.380 23.788 54.452 1.00 8.58 O ATOM 209 CB LYS A 14 21.531 21.254 53.410 1.00 18.05 C ATOM 210 CG LYS A 14 22.540 21.385 52.263 1.00 47.09 C ATOM 211 CD LYS A 14 23.969 21.707 52.702 1.00100.00 C ATOM 212 CE LYS A 14 25.071 21.227 51.768 1.00 99.51 C ATOM 213 NZ LYS A 14 26.217 22.153 51.727 1.00 25.97 N ATOM 214 HA LYS A 14 20.834 21.997 55.211 1.00 0.00 H ATOM 215 HB2 LYS A 14 21.840 20.403 54.017 1.00 0.00 H ATOM 216 HB3 LYS A 14 20.559 21.046 52.963 1.00 0.00 H ATOM 217 HG2 LYS A 14 22.557 20.442 51.716 1.00 0.00 H ATOM 218 HG3 LYS A 14 22.200 22.182 51.601 1.00 0.00 H ATOM 219 HD2 LYS A 14 24.055 22.790 52.794 1.00 0.00 H ATOM 220 HD3 LYS A 14 24.132 21.247 53.677 1.00 0.00 H ATOM 221 HE2 LYS A 14 24.661 21.132 50.762 1.00 0.00 H ATOM 222 HE3 LYS A 14 25.420 20.253 52.110 1.00 0.00 H ATOM 223 HZ1 LYS A 14 25.897 23.085 51.394 1.00 0.00 H ATOM 224 HZ2 LYS A 14 26.621 22.245 52.681 1.00 0.00 H ATOM 225 HZ3 LYS A 14 26.939 21.781 51.077 1.00 0.00 H ATOM 226 H LYS A 14 20.777 24.289 53.376 1.00 0.00 H ATOM 227 N ASN A 15 22.863 22.607 56.284 1.00 11.20 N ATOM 228 CA ASN A 15 24.046 23.031 57.032 1.00 7.97 C ATOM 229 C ASN A 15 24.136 24.486 57.506 1.00 20.65 C ATOM 230 O ASN A 15 25.267 24.945 57.728 1.00 14.60 O ATOM 231 CB ASN A 15 25.322 22.640 56.274 1.00 15.92 C ATOM 232 CG ASN A 15 25.357 21.140 56.106 1.00100.00 C ATOM 233 OD1 ASN A 15 24.741 20.423 56.904 1.00 38.89 O ATOM 234 ND2 ASN A 15 26.047 20.662 55.078 1.00 27.87 N ATOM 235 HA ASN A 15 23.937 22.486 57.970 1.00 0.00 H ATOM 236 HB2 ASN A 15 25.326 23.117 55.294 1.00 0.00 H ATOM 237 HB3 ASN A 15 26.196 22.965 56.838 1.00 0.00 H ATOM 238 HD22 ASN A 15 26.546 21.313 54.439 1.00 0.00 H ATOM 239 HD21 ASN A 15 26.089 19.636 54.912 1.00 0.00 H ATOM 240 H ASN A 15 22.179 21.973 56.743 1.00 0.00 H ATOM 241 N PHE A 16 22.988 25.182 57.688 1.00 7.79 N ATOM 242 CA PHE A 16 22.946 26.588 58.157 1.00 2.18 C ATOM 243 C PHE A 16 23.506 26.696 59.574 1.00 17.07 C ATOM 244 O PHE A 16 24.254 27.609 59.934 1.00 8.87 O ATOM 245 CB PHE A 16 21.537 27.212 58.025 1.00 11.91 C ATOM 246 CG PHE A 16 21.441 28.729 58.125 1.00 8.69 C ATOM 247 CD1 PHE A 16 22.471 29.558 57.668 1.00 15.98 C ATOM 248 CD2 PHE A 16 20.280 29.336 58.611 1.00 12.00 C ATOM 249 CE1 PHE A 16 22.365 30.944 57.739 1.00 24.60 C ATOM 250 CE2 PHE A 16 20.145 30.725 58.690 1.00 12.37 C ATOM 251 CZ PHE A 16 21.199 31.534 58.256 1.00 16.65 C ATOM 252 HA PHE A 16 23.588 27.178 57.503 1.00 0.00 H ATOM 253 HB2 PHE A 16 21.137 26.920 57.054 1.00 0.00 H ATOM 254 HB3 PHE A 16 20.915 26.790 58.814 1.00 0.00 H ATOM 255 HD2 PHE A 16 19.453 28.706 58.939 1.00 0.00 H ATOM 256 HE2 PHE A 16 19.232 31.171 59.084 1.00 0.00 H ATOM 257 HZ PHE A 16 21.117 32.619 58.318 1.00 0.00 H ATOM 258 HE1 PHE A 16 23.186 31.572 57.394 1.00 0.00 H ATOM 259 HD1 PHE A 16 23.372 29.111 57.249 1.00 0.00 H ATOM 260 H PHE A 16 22.086 24.704 57.488 1.00 0.00 H ATOM 261 N ASP A 17 23.189 25.700 60.387 1.00 22.00 N ATOM 262 CA ASP A 17 23.706 25.684 61.731 1.00 12.68 C ATOM 263 C ASP A 17 25.238 25.687 61.794 1.00 7.20 C ATOM 264 O ASP A 17 25.817 26.446 62.568 1.00 17.33 O ATOM 265 CB ASP A 17 23.027 24.657 62.659 1.00 1.00 C ATOM 266 CG ASP A 17 23.275 24.927 64.118 1.00 20.47 C ATOM 267 OD1 ASP A 17 22.620 25.707 64.775 1.00 19.96 O ATOM 268 OD2 ASP A 17 24.262 24.211 64.609 1.00 23.85 O ATOM 269 HA ASP A 17 23.413 26.643 62.157 1.00 0.00 H ATOM 270 HB2 ASP A 17 21.952 24.683 62.479 1.00 0.00 H ATOM 271 HB3 ASP A 17 23.410 23.665 62.419 1.00 0.00 H ATOM 272 H ASP A 17 22.570 24.933 60.056 1.00 0.00 H ATOM 273 N ASP A 18 25.921 24.897 60.977 1.00 15.48 N ATOM 274 CA ASP A 18 27.379 24.963 61.046 1.00 15.03 C ATOM 275 C ASP A 18 27.941 26.306 60.598 1.00 30.29 C ATOM 276 O ASP A 18 28.985 26.761 61.053 1.00 17.96 O ATOM 277 CB ASP A 18 28.107 23.842 60.293 1.00 17.56 C ATOM 278 CG ASP A 18 27.489 22.489 60.444 1.00100.00 C ATOM 279 OD1 ASP A 18 27.753 21.724 61.360 1.00 35.04 O ATOM 280 OD2 ASP A 18 26.648 22.222 59.476 1.00 89.01 O ATOM 281 HA ASP A 18 27.576 24.828 62.109 1.00 0.00 H ATOM 282 HB2 ASP A 18 28.118 24.095 59.233 1.00 0.00 H ATOM 283 HB3 ASP A 18 29.131 23.792 60.664 1.00 0.00 H ATOM 284 H ASP A 18 25.439 24.257 60.314 1.00 0.00 H ATOM 285 N TYR A 19 27.287 26.947 59.652 1.00 22.22 N ATOM 286 CA TYR A 19 27.781 28.224 59.169 1.00 8.67 C ATOM 287 C TYR A 19 27.703 29.280 60.241 1.00 3.65 C ATOM 288 O TYR A 19 28.686 29.989 60.520 1.00 18.56 O ATOM 289 CB TYR A 19 26.990 28.679 57.933 1.00 24.49 C ATOM 290 CG TYR A 19 27.424 29.999 57.330 1.00 24.13 C ATOM 291 CD1 TYR A 19 28.646 30.136 56.666 1.00 24.82 C ATOM 292 CD2 TYR A 19 26.563 31.093 57.364 1.00 16.97 C ATOM 293 CE1 TYR A 19 29.003 31.336 56.053 1.00 9.29 C ATOM 294 CE2 TYR A 19 26.898 32.309 56.757 1.00 12.74 C ATOM 295 CZ TYR A 19 28.121 32.426 56.122 1.00 14.48 C ATOM 296 OH TYR A 19 28.453 33.612 55.545 1.00 16.86 O ATOM 297 HA TYR A 19 28.827 28.089 58.893 1.00 0.00 H ATOM 298 HB3 TYR A 19 25.942 28.769 58.219 1.00 0.00 H ATOM 299 HB2 TYR A 19 27.092 27.910 57.167 1.00 0.00 H ATOM 300 HD2 TYR A 19 25.605 31.000 57.876 1.00 0.00 H ATOM 301 HE2 TYR A 19 26.206 33.151 56.784 1.00 0.00 H ATOM 302 HE1 TYR A 19 29.954 31.427 55.527 1.00 0.00 H ATOM 303 HD1 TYR A 19 29.332 29.290 56.627 1.00 0.00 H ATOM 304 HH TYR A 19 29.351 33.538 55.135 1.00 0.00 H ATOM 305 H TYR A 19 26.418 26.539 59.251 1.00 0.00 H ATOM 306 N MET A 20 26.502 29.373 60.822 1.00 12.37 N ATOM 307 CA MET A 20 26.221 30.316 61.892 1.00 6.40 C ATOM 308 C MET A 20 27.239 30.099 62.997 1.00 17.09 C ATOM 309 O MET A 20 27.843 31.037 63.536 1.00 18.69 O ATOM 310 CB MET A 20 24.758 30.214 62.410 1.00 14.58 C ATOM 311 CG MET A 20 23.731 30.912 61.516 1.00 3.29 C ATOM 312 SD MET A 20 21.989 30.891 62.075 1.00 15.73 S ATOM 313 CE MET A 20 21.674 29.138 62.404 1.00 15.25 C ATOM 314 HA MET A 20 26.312 31.332 61.507 1.00 0.00 H ATOM 315 HB2 MET A 20 24.492 29.159 62.480 1.00 0.00 H ATOM 316 HB3 MET A 20 24.713 30.665 63.401 1.00 0.00 H ATOM 317 HG2 MET A 20 23.768 30.433 60.537 1.00 0.00 H ATOM 318 HG3 MET A 20 24.033 31.955 61.421 1.00 0.00 H ATOM 319 HE1 MET A 20 21.824 28.565 61.489 1.00 0.00 H ATOM 320 HE2 MET A 20 22.362 28.785 63.172 1.00 0.00 H ATOM 321 HE3 MET A 20 20.647 29.013 62.748 1.00 0.00 H ATOM 322 H MET A 20 25.739 28.746 60.495 1.00 0.00 H ATOM 323 N LYS A 21 27.453 28.830 63.321 1.00 18.50 N ATOM 324 CA LYS A 21 28.394 28.512 64.370 1.00 11.38 C ATOM 325 C LYS A 21 29.823 28.972 64.128 1.00 40.21 C ATOM 326 O LYS A 21 30.488 29.567 64.989 1.00 25.65 O ATOM 327 CB LYS A 21 28.115 27.278 65.253 1.00 36.70 C ATOM 328 CG LYS A 21 28.715 25.894 64.939 1.00 56.01 C ATOM 329 CD LYS A 21 29.307 25.653 63.555 1.00100.00 C ATOM 330 CE LYS A 21 30.813 25.393 63.551 1.00100.00 C ATOM 331 NZ LYS A 21 31.348 24.951 62.246 1.00 38.83 N ATOM 332 HA LYS A 21 28.122 29.212 65.160 1.00 0.00 H ATOM 333 HB2 LYS A 21 28.455 27.537 66.256 1.00 0.00 H ATOM 334 HB3 LYS A 21 27.033 27.147 65.260 1.00 0.00 H ATOM 335 HG2 LYS A 21 29.509 25.716 65.664 1.00 0.00 H ATOM 336 HG3 LYS A 21 27.922 25.160 65.082 1.00 0.00 H ATOM 337 HD2 LYS A 21 28.810 24.788 63.117 1.00 0.00 H ATOM 338 HD3 LYS A 21 29.111 26.532 62.942 1.00 0.00 H ATOM 339 HE2 LYS A 21 31.029 24.620 64.289 1.00 0.00 H ATOM 340 HE3 LYS A 21 31.320 26.315 63.834 1.00 0.00 H ATOM 341 HZ1 LYS A 21 30.884 24.064 61.965 1.00 0.00 H ATOM 342 HZ2 LYS A 21 31.162 25.683 61.531 1.00 0.00 H ATOM 343 HZ3 LYS A 21 32.373 24.797 62.327 1.00 0.00 H ATOM 344 H LYS A 21 26.947 28.070 62.823 1.00 0.00 H ATOM 345 N SER A 22 30.262 28.776 62.905 1.00 11.43 N ATOM 346 CA SER A 22 31.597 29.161 62.520 1.00 12.63 C ATOM 347 C SER A 22 31.839 30.668 62.623 1.00 28.56 C ATOM 348 O SER A 22 32.952 31.092 62.934 1.00 12.28 O ATOM 349 CB SER A 22 31.957 28.592 61.165 1.00 15.24 C ATOM 350 OG SER A 22 33.166 29.158 60.729 1.00 25.65 O ATOM 351 HA SER A 22 32.281 28.719 63.245 1.00 0.00 H ATOM 352 HB2 SER A 22 31.167 28.825 60.451 1.00 0.00 H ATOM 353 HB3 SER A 22 32.068 27.510 61.242 1.00 0.00 H ATOM 354 HG SER A 22 33.063 30.140 60.659 1.00 0.00 H ATOM 355 H SER A 22 29.635 28.335 62.202 1.00 0.00 H ATOM 356 N LEU A 23 30.777 31.465 62.376 1.00 35.36 N ATOM 357 CA LEU A 23 30.799 32.935 62.453 1.00 27.57 C ATOM 358 C LEU A 23 30.712 33.440 63.896 1.00 10.94 C ATOM 359 O LEU A 23 31.015 34.593 64.171 1.00 28.81 O ATOM 360 CB LEU A 23 29.669 33.628 61.641 1.00 28.15 C ATOM 361 CG LEU A 23 29.783 33.630 60.106 1.00 19.27 C ATOM 362 CD1 LEU A 23 28.590 34.381 59.514 1.00 23.93 C ATOM 363 CD2 LEU A 23 31.071 34.300 59.634 1.00 10.97 C ATOM 364 HA LEU A 23 31.759 33.203 62.011 1.00 0.00 H ATOM 365 HB2 LEU A 23 28.733 33.131 61.897 1.00 0.00 H ATOM 366 HB3 LEU A 23 29.627 34.668 61.965 1.00 0.00 H ATOM 367 HG LEU A 23 29.795 32.593 59.770 1.00 0.00 H ATOM 368 HD21 LEU A 23 31.090 35.333 59.981 1.00 0.00 H ATOM 369 HD22 LEU A 23 31.928 33.764 60.041 1.00 0.00 H ATOM 370 HD23 LEU A 23 31.112 34.280 58.545 1.00 0.00 H ATOM 371 HD11 LEU A 23 27.666 33.885 59.812 1.00 0.00 H ATOM 372 HD12 LEU A 23 28.589 35.407 59.883 1.00 0.00 H ATOM 373 HD13 LEU A 23 28.668 34.384 58.427 1.00 0.00 H ATOM 374 H LEU A 23 29.881 31.008 62.113 1.00 0.00 H ATOM 375 N GLY A 24 30.234 32.618 64.826 1.00 22.35 N ATOM 376 CA GLY A 24 30.156 33.067 66.217 1.00 17.33 C ATOM 377 C GLY A 24 28.773 33.493 66.746 1.00 46.05 C ATOM 378 O GLY A 24 28.664 34.121 67.804 1.00 19.01 O ATOM 379 HA3 GLY A 24 30.825 33.921 66.324 1.00 0.00 H ATOM 380 HA2 GLY A 24 30.510 32.250 66.845 1.00 0.00 H ATOM 381 H GLY A 24 29.918 31.662 64.566 1.00 0.00 H ATOM 382 N VAL A 25 27.720 33.135 66.028 1.00 19.40 N ATOM 383 CA VAL A 25 26.353 33.434 66.429 1.00 13.65 C ATOM 384 C VAL A 25 25.966 32.551 67.624 1.00 20.38 C ATOM 385 O VAL A 25 26.425 31.420 67.721 1.00 18.18 O ATOM 386 CB VAL A 25 25.460 33.200 65.215 1.00 9.29 C ATOM 387 CG1 VAL A 25 24.012 32.904 65.598 1.00 14.65 C ATOM 388 CG2 VAL A 25 25.558 34.386 64.267 1.00 37.90 C ATOM 389 HA VAL A 25 26.241 34.468 66.754 1.00 0.00 H ATOM 390 HB VAL A 25 25.820 32.308 64.703 1.00 0.00 H ATOM 391 HG11 VAL A 25 23.977 32.007 66.217 1.00 0.00 H ATOM 392 HG12 VAL A 25 23.605 33.748 66.155 1.00 0.00 H ATOM 393 HG13 VAL A 25 23.423 32.746 64.694 1.00 0.00 H ATOM 394 HG21 VAL A 25 25.236 35.290 64.784 1.00 0.00 H ATOM 395 HG22 VAL A 25 26.591 34.503 63.938 1.00 0.00 H ATOM 396 HG23 VAL A 25 24.918 34.212 63.402 1.00 0.00 H ATOM 397 H VAL A 25 27.876 32.618 65.139 1.00 0.00 H ATOM 398 N GLY A 26 25.149 33.058 68.545 1.00 19.55 N ATOM 399 CA GLY A 26 24.767 32.304 69.744 1.00 17.68 C ATOM 400 C GLY A 26 23.616 31.326 69.543 1.00 32.12 C ATOM 401 O GLY A 26 22.776 31.504 68.656 1.00 20.40 O ATOM 402 HA3 GLY A 26 24.476 33.017 70.515 1.00 0.00 H ATOM 403 HA2 GLY A 26 25.637 31.740 70.082 1.00 0.00 H ATOM 404 H GLY A 26 24.770 34.017 68.410 1.00 0.00 H ATOM 405 N PHE A 27 23.589 30.303 70.404 1.00 30.03 N ATOM 406 CA PHE A 27 22.603 29.234 70.354 1.00 35.84 C ATOM 407 C PHE A 27 21.166 29.723 70.296 1.00 17.54 C ATOM 408 O PHE A 27 20.319 29.158 69.602 1.00 21.54 O ATOM 409 CB PHE A 27 22.797 28.199 71.490 1.00 17.68 C ATOM 410 CG PHE A 27 22.203 28.628 72.816 1.00 8.51 C ATOM 411 CD1 PHE A 27 20.870 28.359 73.118 1.00 30.70 C ATOM 412 CD2 PHE A 27 22.984 29.265 73.778 1.00 15.09 C ATOM 413 CE1 PHE A 27 20.308 28.748 74.343 1.00 37.43 C ATOM 414 CE2 PHE A 27 22.442 29.659 74.999 1.00 45.40 C ATOM 415 CZ PHE A 27 21.108 29.399 75.276 1.00 27.60 C ATOM 416 HA PHE A 27 22.789 28.729 69.406 1.00 0.00 H ATOM 417 HB2 PHE A 27 22.325 27.264 71.188 1.00 0.00 H ATOM 418 HB3 PHE A 27 23.866 28.037 71.628 1.00 0.00 H ATOM 419 HD2 PHE A 27 24.037 29.458 73.572 1.00 0.00 H ATOM 420 HE2 PHE A 27 23.064 30.170 75.734 1.00 0.00 H ATOM 421 HZ PHE A 27 20.684 29.707 76.232 1.00 0.00 H ATOM 422 HE1 PHE A 27 19.260 28.543 74.560 1.00 0.00 H ATOM 423 HD1 PHE A 27 20.252 27.836 72.388 1.00 0.00 H ATOM 424 H PHE A 27 24.313 30.270 71.150 1.00 0.00 H ATOM 425 N ALA A 28 20.868 30.768 71.049 1.00 24.32 N ATOM 426 CA ALA A 28 19.504 31.261 71.079 1.00 18.42 C ATOM 427 C ALA A 28 19.042 31.834 69.759 1.00 41.67 C ATOM 428 O ALA A 28 17.866 31.666 69.395 1.00 12.86 O ATOM 429 CB ALA A 28 19.194 32.144 72.282 1.00 13.26 C ATOM 430 HA ALA A 28 18.887 30.375 71.229 1.00 0.00 H ATOM 431 HB1 ALA A 28 19.353 31.576 73.199 1.00 0.00 H ATOM 432 HB2 ALA A 28 19.852 33.013 72.273 1.00 0.00 H ATOM 433 HB3 ALA A 28 18.156 32.472 72.232 1.00 0.00 H ATOM 434 H ALA A 28 21.606 31.233 71.616 1.00 0.00 H ATOM 435 N THR A 29 19.980 32.497 69.054 1.00 16.57 N ATOM 436 CA THR A 29 19.693 33.062 67.740 1.00 33.13 C ATOM 437 C THR A 29 19.578 31.938 66.720 1.00 28.24 C ATOM 438 O THR A 29 18.691 31.951 65.864 1.00 13.07 O ATOM 439 CB THR A 29 20.668 34.174 67.280 1.00 23.26 C ATOM 440 OG1 THR A 29 20.447 35.361 68.012 1.00 29.96 O ATOM 441 CG2 THR A 29 20.455 34.464 65.797 1.00 16.59 C ATOM 442 HA THR A 29 18.738 33.581 67.824 1.00 0.00 H ATOM 443 HB THR A 29 21.688 33.829 67.452 1.00 0.00 H ATOM 444 HG1 THR A 29 21.078 36.059 67.705 1.00 0.00 H ATOM 445 HG23 THR A 29 20.623 33.553 65.222 1.00 0.00 H ATOM 446 HG21 THR A 29 19.434 34.811 65.639 1.00 0.00 H ATOM 447 HG22 THR A 29 21.156 35.234 65.474 1.00 0.00 H ATOM 448 H THR A 29 20.932 32.609 69.457 1.00 0.00 H ATOM 449 N ARG A 30 20.465 30.937 66.860 1.00 20.13 N ATOM 450 CA ARG A 30 20.454 29.773 65.986 1.00 12.52 C ATOM 451 C ARG A 30 19.113 29.045 66.001 1.00 43.31 C ATOM 452 O ARG A 30 18.636 28.594 64.969 1.00 22.55 O ATOM 453 CB ARG A 30 21.594 28.805 66.265 1.00 11.21 C ATOM 454 CG ARG A 30 22.868 29.282 65.602 1.00 21.23 C ATOM 455 CD ARG A 30 23.930 28.206 65.481 1.00 33.76 C ATOM 456 NE ARG A 30 24.860 28.467 66.541 1.00 37.54 N ATOM 457 CZ ARG A 30 24.934 27.770 67.649 1.00 28.00 C ATOM 458 NH1 ARG A 30 24.221 26.670 67.846 1.00 28.16 N ATOM 459 NH2 ARG A 30 25.784 28.191 68.571 1.00 38.12 N ATOM 460 HA ARG A 30 20.608 30.170 64.983 1.00 0.00 H ATOM 461 HB2 ARG A 30 21.753 28.738 67.341 1.00 0.00 H ATOM 462 HB3 ARG A 30 21.333 27.821 65.875 1.00 0.00 H ATOM 463 HG2 ARG A 30 22.623 29.639 64.602 1.00 0.00 H ATOM 464 HG3 ARG A 30 23.276 30.104 66.190 1.00 0.00 H ATOM 465 HD2 ARG A 30 24.427 28.268 64.513 1.00 0.00 H ATOM 466 HD3 ARG A 30 23.486 27.217 65.597 1.00 0.00 H ATOM 467 HE ARG A 30 25.520 29.262 66.423 1.00 0.00 H ATOM 468 HH12 ARG A 30 24.309 26.146 68.740 1.00 0.00 H ATOM 469 HH11 ARG A 30 23.573 26.331 67.106 1.00 0.00 H ATOM 470 HH22 ARG A 30 25.879 27.672 69.467 1.00 0.00 H ATOM 471 HH21 ARG A 30 26.358 29.041 68.400 1.00 0.00 H ATOM 472 H ARG A 30 21.179 30.996 67.614 1.00 0.00 H ATOM 473 N GLN A 31 18.510 28.906 67.183 1.00 22.40 N ATOM 474 CA GLN A 31 17.215 28.253 67.309 1.00 21.49 C ATOM 475 C GLN A 31 16.213 28.904 66.363 1.00 39.91 C ATOM 476 O GLN A 31 15.617 28.276 65.488 1.00 24.68 O ATOM 477 CB GLN A 31 16.652 28.395 68.741 1.00 8.04 C ATOM 478 CG GLN A 31 17.195 27.395 69.772 1.00 16.92 C ATOM 479 CD GLN A 31 16.411 27.458 71.076 1.00 30.40 C ATOM 480 OE1 GLN A 31 15.172 27.599 71.079 1.00 25.82 O ATOM 481 NE2 GLN A 31 17.124 27.361 72.195 1.00 86.56 N ATOM 482 HA GLN A 31 17.359 27.199 67.070 1.00 0.00 H ATOM 483 HB2 GLN A 31 16.884 29.400 69.094 1.00 0.00 H ATOM 484 HB3 GLN A 31 15.570 28.270 68.690 1.00 0.00 H ATOM 485 HG2 GLN A 31 17.121 26.388 69.362 1.00 0.00 H ATOM 486 HG3 GLN A 31 18.240 27.627 69.975 1.00 0.00 H ATOM 487 HE22 GLN A 31 18.156 27.244 72.145 1.00 0.00 H ATOM 488 HE21 GLN A 31 16.649 27.402 73.119 1.00 0.00 H ATOM 489 H GLN A 31 18.977 29.274 68.036 1.00 0.00 H ATOM 490 N VAL A 32 16.057 30.196 66.598 1.00 16.18 N ATOM 491 CA VAL A 32 15.152 31.083 65.902 1.00 32.36 C ATOM 492 C VAL A 32 15.377 31.164 64.379 1.00 33.32 C ATOM 493 O VAL A 32 14.452 30.941 63.616 1.00 11.53 O ATOM 494 CB VAL A 32 14.973 32.379 66.717 1.00 21.63 C ATOM 495 CG1 VAL A 32 14.438 33.566 65.936 1.00 7.71 C ATOM 496 CG2 VAL A 32 14.068 32.124 67.929 1.00 16.40 C ATOM 497 HA VAL A 32 14.150 30.655 65.868 1.00 0.00 H ATOM 498 HB VAL A 32 15.982 32.654 67.026 1.00 0.00 H ATOM 499 HG11 VAL A 32 15.124 33.803 65.122 1.00 0.00 H ATOM 500 HG12 VAL A 32 13.458 33.318 65.527 1.00 0.00 H ATOM 501 HG13 VAL A 32 14.349 34.426 66.600 1.00 0.00 H ATOM 502 HG21 VAL A 32 13.092 31.780 67.586 1.00 0.00 H ATOM 503 HG22 VAL A 32 14.520 31.362 68.565 1.00 0.00 H ATOM 504 HG23 VAL A 32 13.951 33.048 68.495 1.00 0.00 H ATOM 505 H VAL A 32 16.639 30.612 67.353 1.00 0.00 H ATOM 506 N ALA A 33 16.605 31.377 63.906 1.00 13.79 N ATOM 507 CA ALA A 33 16.870 31.410 62.462 1.00 29.01 C ATOM 508 C ALA A 33 16.679 30.079 61.718 1.00 43.56 C ATOM 509 O ALA A 33 16.741 30.050 60.495 1.00 34.59 O ATOM 510 CB ALA A 33 18.276 31.909 62.159 1.00 26.55 C ATOM 511 HA ALA A 33 16.110 32.099 62.093 1.00 0.00 H ATOM 512 HB1 ALA A 33 18.395 32.918 62.553 1.00 0.00 H ATOM 513 HB2 ALA A 33 19.004 31.246 62.627 1.00 0.00 H ATOM 514 HB3 ALA A 33 18.432 31.918 61.080 1.00 0.00 H ATOM 515 H ALA A 33 17.390 31.523 64.572 1.00 0.00 H ATOM 516 N SER A 34 16.504 28.965 62.427 1.00 14.24 N ATOM 517 CA SER A 34 16.373 27.663 61.772 1.00 12.98 C ATOM 518 C SER A 34 14.955 27.255 61.397 1.00 21.12 C ATOM 519 O SER A 34 14.750 26.344 60.586 1.00 17.96 O ATOM 520 CB SER A 34 16.959 26.580 62.649 1.00 18.48 C ATOM 521 OG SER A 34 16.408 26.724 63.942 1.00 39.43 O ATOM 522 HA SER A 34 16.918 27.777 60.835 1.00 0.00 H ATOM 523 HB2 SER A 34 18.043 26.685 62.694 1.00 0.00 H ATOM 524 HB3 SER A 34 16.707 25.599 62.246 1.00 0.00 H ATOM 525 HG SER A 34 16.638 27.618 64.300 1.00 0.00 H ATOM 526 H SER A 34 16.460 29.022 63.465 1.00 0.00 H ATOM 527 N MET A 35 13.981 27.912 62.011 1.00 10.78 N ATOM 528 CA MET A 35 12.577 27.627 61.774 1.00 24.11 C ATOM 529 C MET A 35 12.026 28.652 60.763 1.00 14.36 C ATOM 530 O MET A 35 10.934 28.487 60.233 1.00 42.01 O ATOM 531 CB MET A 35 11.779 27.757 63.113 1.00 15.77 C ATOM 532 CG MET A 35 11.271 26.514 63.861 1.00 54.03 C ATOM 533 SD MET A 35 11.502 24.891 63.089 1.00 27.40 S ATOM 534 CE MET A 35 13.306 24.900 63.047 1.00 48.55 C ATOM 535 HA MET A 35 12.471 26.615 61.384 1.00 0.00 H ATOM 536 HB2 MET A 35 12.426 28.293 63.808 1.00 0.00 H ATOM 537 HB3 MET A 35 10.902 28.365 62.892 1.00 0.00 H ATOM 538 HG2 MET A 35 10.201 26.647 64.019 1.00 0.00 H ATOM 539 HG3 MET A 35 11.778 26.488 64.825 1.00 0.00 H ATOM 540 HE1 MET A 35 13.650 25.747 62.453 1.00 0.00 H ATOM 541 HE2 MET A 35 13.691 24.987 64.063 1.00 0.00 H ATOM 542 HE3 MET A 35 13.662 23.972 62.600 1.00 0.00 H ATOM 543 H MET A 35 14.232 28.660 62.688 1.00 0.00 H ATOM 544 N THR A 36 12.790 29.714 60.509 1.00 16.98 N ATOM 545 CA THR A 36 12.411 30.836 59.636 1.00 30.87 C ATOM 546 C THR A 36 12.614 30.624 58.125 1.00 45.87 C ATOM 547 O THR A 36 13.660 30.145 57.708 1.00 33.48 O ATOM 548 CB THR A 36 13.189 32.096 60.125 1.00 10.28 C ATOM 549 OG1 THR A 36 12.572 32.604 61.293 1.00 39.15 O ATOM 550 CG2 THR A 36 13.279 33.174 59.055 1.00 30.51 C ATOM 551 HA THR A 36 11.331 30.948 59.727 1.00 0.00 H ATOM 552 HB THR A 36 14.212 31.793 60.349 1.00 0.00 H ATOM 553 HG1 THR A 36 13.065 33.404 61.604 1.00 0.00 H ATOM 554 HG23 THR A 36 13.756 32.762 58.166 1.00 0.00 H ATOM 555 HG21 THR A 36 12.276 33.519 58.804 1.00 0.00 H ATOM 556 HG22 THR A 36 13.869 34.010 59.432 1.00 0.00 H ATOM 557 H THR A 36 13.725 29.753 60.962 1.00 0.00 H ATOM 558 N LYS A 37 11.630 31.005 57.285 1.00 12.68 N ATOM 559 CA LYS A 37 11.776 30.891 55.818 1.00 22.41 C ATOM 560 C LYS A 37 11.627 32.251 55.164 1.00 24.50 C ATOM 561 O LYS A 37 10.507 32.655 54.885 1.00 20.15 O ATOM 562 CB LYS A 37 10.746 29.956 55.232 1.00 8.49 C ATOM 563 CG LYS A 37 10.428 28.829 56.191 1.00 32.86 C ATOM 564 CD LYS A 37 9.481 27.801 55.614 1.00100.00 C ATOM 565 CE LYS A 37 10.170 26.470 55.374 1.00 61.48 C ATOM 566 NZ LYS A 37 9.227 25.372 55.134 1.00100.00 N ATOM 567 HA LYS A 37 12.771 30.490 55.623 1.00 0.00 H ATOM 568 HB2 LYS A 37 9.834 30.515 55.024 1.00 0.00 H ATOM 569 HB3 LYS A 37 11.133 29.536 54.304 1.00 0.00 H ATOM 570 HG2 LYS A 37 11.359 28.330 56.459 1.00 0.00 H ATOM 571 HG3 LYS A 37 9.974 29.254 57.086 1.00 0.00 H ATOM 572 HD2 LYS A 37 8.656 27.651 56.311 1.00 0.00 H ATOM 573 HD3 LYS A 37 9.091 28.173 54.666 1.00 0.00 H ATOM 574 HE2 LYS A 37 10.771 26.227 56.250 1.00 0.00 H ATOM 575 HE3 LYS A 37 10.820 26.567 54.504 1.00 0.00 H ATOM 576 HZ1 LYS A 37 8.606 25.263 55.961 1.00 0.00 H ATOM 577 HZ2 LYS A 37 8.653 25.587 54.294 1.00 0.00 H ATOM 578 HZ3 LYS A 37 9.756 24.490 54.977 1.00 0.00 H ATOM 579 H LYS A 37 10.747 31.388 57.679 1.00 0.00 H ATOM 580 N PRO A 38 12.730 32.962 54.903 1.00 10.70 N ATOM 581 CA PRO A 38 12.664 34.320 54.362 1.00 11.41 C ATOM 582 C PRO A 38 12.165 34.508 52.929 1.00 13.50 C ATOM 583 O PRO A 38 12.037 33.553 52.153 1.00 20.18 O ATOM 584 CB PRO A 38 14.083 34.903 54.461 1.00 9.38 C ATOM 585 CG PRO A 38 14.990 33.816 55.022 1.00 22.31 C ATOM 586 CD PRO A 38 14.140 32.558 55.162 1.00 6.87 C ATOM 587 HA PRO A 38 11.904 34.825 54.958 1.00 0.00 H ATOM 588 HD3 PRO A 38 14.456 31.809 54.436 1.00 0.00 H ATOM 589 HD2 PRO A 38 14.235 32.150 56.168 1.00 0.00 H ATOM 590 HG3 PRO A 38 15.378 34.117 55.995 1.00 0.00 H ATOM 591 HG2 PRO A 38 15.821 33.633 54.341 1.00 0.00 H ATOM 592 HB2 PRO A 38 14.431 35.204 53.473 1.00 0.00 H ATOM 593 HB3 PRO A 38 14.084 35.768 55.125 1.00 0.00 H ATOM 594 N THR A 39 11.958 35.809 52.617 1.00 16.83 N ATOM 595 CA THR A 39 11.622 36.352 51.300 1.00 26.98 C ATOM 596 C THR A 39 12.749 37.276 50.870 1.00 14.90 C ATOM 597 O THR A 39 13.182 38.147 51.632 1.00 13.66 O ATOM 598 CB THR A 39 10.291 37.127 51.193 1.00 22.28 C ATOM 599 OG1 THR A 39 9.217 36.299 51.566 1.00 23.30 O ATOM 600 CG2 THR A 39 10.069 37.595 49.753 1.00 12.64 C ATOM 601 HA THR A 39 11.494 35.482 50.656 1.00 0.00 H ATOM 602 HB THR A 39 10.342 37.989 51.859 1.00 0.00 H ATOM 603 HG1 THR A 39 8.370 36.806 51.493 1.00 0.00 H ATOM 604 HG23 THR A 39 10.895 38.239 49.450 1.00 0.00 H ATOM 605 HG21 THR A 39 10.021 36.728 49.094 1.00 0.00 H ATOM 606 HG22 THR A 39 9.133 38.150 49.693 1.00 0.00 H ATOM 607 H THR A 39 12.047 36.494 53.394 1.00 0.00 H ATOM 608 N THR A 40 13.223 37.040 49.647 1.00 38.73 N ATOM 609 CA THR A 40 14.283 37.813 49.031 1.00 20.69 C ATOM 610 C THR A 40 13.739 38.513 47.789 1.00 6.98 C ATOM 611 O THR A 40 13.106 37.844 46.966 1.00 5.13 O ATOM 612 CB THR A 40 15.499 36.930 48.656 1.00 28.60 C ATOM 613 OG1 THR A 40 16.137 36.390 49.791 1.00 9.63 O ATOM 614 CG2 THR A 40 16.516 37.771 47.907 1.00 33.71 C ATOM 615 HA THR A 40 14.630 38.551 49.754 1.00 0.00 H ATOM 616 HB THR A 40 15.125 36.110 48.043 1.00 0.00 H ATOM 617 HG1 THR A 40 16.905 35.835 49.504 1.00 0.00 H ATOM 618 HG23 THR A 40 16.048 38.202 47.022 1.00 0.00 H ATOM 619 HG21 THR A 40 16.873 38.570 48.556 1.00 0.00 H ATOM 620 HG22 THR A 40 17.355 37.143 47.607 1.00 0.00 H ATOM 621 H THR A 40 12.808 36.256 49.103 1.00 0.00 H ATOM 622 N ILE A 41 13.971 39.841 47.675 1.00 13.94 N ATOM 623 CA ILE A 41 13.548 40.701 46.538 1.00 38.49 C ATOM 624 C ILE A 41 14.735 41.414 45.866 1.00 21.99 C ATOM 625 O ILE A 41 15.422 42.217 46.490 1.00 27.20 O ATOM 626 CB ILE A 41 12.518 41.783 46.881 1.00 11.64 C ATOM 627 CG1 ILE A 41 11.209 41.185 47.385 1.00 13.41 C ATOM 628 CG2 ILE A 41 12.239 42.612 45.628 1.00 17.08 C ATOM 629 CD1 ILE A 41 10.829 41.646 48.787 1.00 14.51 C ATOM 630 HA ILE A 41 13.081 39.981 45.866 1.00 0.00 H ATOM 631 HB ILE A 41 12.930 42.403 47.677 1.00 0.00 H ATOM 632 HG12 ILE A 41 10.412 41.472 46.699 1.00 0.00 H ATOM 633 HG13 ILE A 41 11.306 40.099 47.393 1.00 0.00 H ATOM 634 HD11 ILE A 41 11.612 41.356 49.488 1.00 0.00 H ATOM 635 HD12 ILE A 41 10.717 42.730 48.794 1.00 0.00 H ATOM 636 HD13 ILE A 41 9.888 41.180 49.079 1.00 0.00 H ATOM 637 HG21 ILE A 41 13.164 43.077 45.288 1.00 0.00 H ATOM 638 HG22 ILE A 41 11.847 41.963 44.845 1.00 0.00 H ATOM 639 HG23 ILE A 41 11.507 43.385 45.861 1.00 0.00 H ATOM 640 H ILE A 41 14.490 40.300 48.450 1.00 0.00 H ATOM 641 N ILE A 42 14.971 41.152 44.575 1.00 14.85 N ATOM 642 CA ILE A 42 16.077 41.783 43.845 1.00 11.13 C ATOM 643 C ILE A 42 15.541 42.752 42.803 1.00 25.53 C ATOM 644 O ILE A 42 14.739 42.360 41.956 1.00 9.68 O ATOM 645 CB ILE A 42 17.105 40.776 43.279 1.00 6.50 C ATOM 646 CG1 ILE A 42 17.561 39.858 44.424 1.00 10.78 C ATOM 647 CG2 ILE A 42 18.309 41.544 42.723 1.00 12.92 C ATOM 648 CD1 ILE A 42 18.292 38.590 43.994 1.00 25.18 C ATOM 649 HA ILE A 42 16.652 42.362 44.567 1.00 0.00 H ATOM 650 HB ILE A 42 16.659 40.183 42.480 1.00 0.00 H ATOM 651 HG12 ILE A 42 18.229 40.430 45.068 1.00 0.00 H ATOM 652 HG13 ILE A 42 16.678 39.562 44.990 1.00 0.00 H ATOM 653 HD11 ILE A 42 17.637 37.992 43.360 1.00 0.00 H ATOM 654 HD12 ILE A 42 19.190 38.860 43.438 1.00 0.00 H ATOM 655 HD13 ILE A 42 18.569 38.015 44.877 1.00 0.00 H ATOM 656 HG21 ILE A 42 17.977 42.213 41.930 1.00 0.00 H ATOM 657 HG22 ILE A 42 18.768 42.126 43.522 1.00 0.00 H ATOM 658 HG23 ILE A 42 19.036 40.837 42.323 1.00 0.00 H ATOM 659 H ILE A 42 14.353 40.482 44.075 1.00 0.00 H ATOM 660 N GLU A 43 15.937 44.023 42.908 1.00 13.74 N ATOM 661 CA GLU A 43 15.460 45.049 41.979 1.00 8.71 C ATOM 662 C GLU A 43 16.592 45.824 41.315 1.00 8.19 C ATOM 663 O GLU A 43 17.741 45.808 41.764 1.00 4.28 O ATOM 664 CB GLU A 43 14.543 46.050 42.695 1.00 6.55 C ATOM 665 CG GLU A 43 13.209 45.464 43.187 1.00 30.17 C ATOM 666 CD GLU A 43 12.488 46.390 44.146 1.00 39.15 C ATOM 667 OE1 GLU A 43 13.029 47.309 44.725 1.00 43.76 O ATOM 668 OE2 GLU A 43 11.224 46.096 44.297 1.00 59.88 O ATOM 669 HA GLU A 43 14.911 44.513 41.204 1.00 0.00 H ATOM 670 HB2 GLU A 43 15.079 46.445 43.558 1.00 0.00 H ATOM 671 HB3 GLU A 43 14.322 46.863 42.003 1.00 0.00 H ATOM 672 HG2 GLU A 43 12.567 45.284 42.325 1.00 0.00 H ATOM 673 HG3 GLU A 43 13.407 44.520 43.694 1.00 0.00 H ATOM 674 H GLU A 43 16.598 44.290 43.665 1.00 0.00 H ATOM 675 N LYS A 44 16.243 46.561 40.262 1.00 12.55 N ATOM 676 CA LYS A 44 17.233 47.365 39.555 1.00 7.02 C ATOM 677 C LYS A 44 16.693 48.720 39.062 1.00 15.17 C ATOM 678 O LYS A 44 15.516 48.845 38.726 1.00 17.59 O ATOM 679 CB LYS A 44 17.842 46.541 38.445 1.00 22.84 C ATOM 680 CG LYS A 44 18.830 47.300 37.596 1.00 28.36 C ATOM 681 CD LYS A 44 19.172 46.524 36.334 1.00 37.26 C ATOM 682 CE LYS A 44 17.989 46.365 35.399 1.00 22.81 C ATOM 683 NZ LYS A 44 18.409 45.936 34.058 1.00 29.88 N ATOM 684 HA LYS A 44 18.014 47.635 40.266 1.00 0.00 H ATOM 685 HB2 LYS A 44 18.355 45.689 38.891 1.00 0.00 H ATOM 686 HB3 LYS A 44 17.038 46.184 37.801 1.00 0.00 H ATOM 687 HG2 LYS A 44 18.397 48.261 37.318 1.00 0.00 H ATOM 688 HG3 LYS A 44 19.741 47.466 38.171 1.00 0.00 H ATOM 689 HD2 LYS A 44 19.965 47.052 35.805 1.00 0.00 H ATOM 690 HD3 LYS A 44 19.525 45.533 36.620 1.00 0.00 H ATOM 691 HE2 LYS A 44 17.471 47.321 35.318 1.00 0.00 H ATOM 692 HE3 LYS A 44 17.310 45.619 35.812 1.00 0.00 H ATOM 693 HZ1 LYS A 44 19.053 46.646 33.654 1.00 0.00 H ATOM 694 HZ2 LYS A 44 18.899 45.021 34.126 1.00 0.00 H ATOM 695 HZ3 LYS A 44 17.572 45.839 33.449 1.00 0.00 H ATOM 696 H LYS A 44 15.254 46.563 39.941 1.00 0.00 H ATOM 697 N ASN A 45 17.578 49.733 39.047 1.00 25.51 N ATOM 698 CA ASN A 45 17.305 51.117 38.613 1.00 24.03 C ATOM 699 C ASN A 45 18.580 51.667 38.042 1.00 25.12 C ATOM 700 O ASN A 45 19.449 52.100 38.787 1.00 12.24 O ATOM 701 CB ASN A 45 16.916 52.037 39.794 1.00 16.15 C ATOM 702 CG ASN A 45 16.376 53.421 39.416 1.00 27.27 C ATOM 703 OD1 ASN A 45 15.783 54.128 40.250 1.00 28.70 O ATOM 704 ND2 ASN A 45 16.568 53.831 38.173 1.00 5.91 N ATOM 705 HA ASN A 45 16.481 51.092 37.900 1.00 0.00 H ATOM 706 HB2 ASN A 45 16.149 51.527 40.376 1.00 0.00 H ATOM 707 HB3 ASN A 45 17.803 52.182 40.411 1.00 0.00 H ATOM 708 HD22 ASN A 45 17.067 53.220 37.495 1.00 0.00 H ATOM 709 HD21 ASN A 45 16.220 54.764 37.874 1.00 0.00 H ATOM 710 H ASN A 45 18.543 49.521 39.371 1.00 0.00 H ATOM 711 N GLY A 46 18.718 51.629 36.736 1.00 15.40 N ATOM 712 CA GLY A 46 19.946 52.114 36.147 1.00 17.10 C ATOM 713 C GLY A 46 21.055 51.135 36.473 1.00 25.48 C ATOM 714 O GLY A 46 20.896 49.932 36.282 1.00 23.51 O ATOM 715 HA3 GLY A 46 20.189 53.095 36.557 1.00 0.00 H ATOM 716 HA2 GLY A 46 19.830 52.192 35.066 1.00 0.00 H ATOM 717 H GLY A 46 17.956 51.256 36.135 1.00 0.00 H ATOM 718 N ASP A 47 22.159 51.645 37.017 1.00 35.33 N ATOM 719 CA ASP A 47 23.257 50.784 37.386 1.00 12.12 C ATOM 720 C ASP A 47 23.297 50.509 38.880 1.00 40.89 C ATOM 721 O ASP A 47 24.317 50.083 39.399 1.00 22.41 O ATOM 722 CB ASP A 47 24.612 51.273 36.852 1.00 27.81 C ATOM 723 CG ASP A 47 25.076 52.505 37.552 1.00 57.42 C ATOM 724 OD1 ASP A 47 24.301 53.283 38.072 1.00 31.13 O ATOM 725 OD2 ASP A 47 26.378 52.646 37.540 1.00 38.72 O ATOM 726 HA ASP A 47 23.065 49.831 36.893 1.00 0.00 H ATOM 727 HB2 ASP A 47 25.352 50.486 36.996 1.00 0.00 H ATOM 728 HB3 ASP A 47 24.515 51.488 35.788 1.00 0.00 H ATOM 729 H ASP A 47 22.230 52.670 37.177 1.00 0.00 H ATOM 730 N ILE A 48 22.188 50.744 39.581 1.00 17.42 N ATOM 731 CA ILE A 48 22.144 50.481 41.011 1.00 14.93 C ATOM 732 C ILE A 48 21.296 49.253 41.286 1.00 10.82 C ATOM 733 O ILE A 48 20.156 49.206 40.835 1.00 21.89 O ATOM 734 CB ILE A 48 21.551 51.657 41.799 1.00 19.61 C ATOM 735 CG1 ILE A 48 22.429 52.908 41.739 1.00 34.85 C ATOM 736 CG2 ILE A 48 21.311 51.246 43.250 1.00 21.37 C ATOM 737 CD1 ILE A 48 23.910 52.619 41.532 1.00 31.12 C ATOM 738 HA ILE A 48 23.173 50.326 41.335 1.00 0.00 H ATOM 739 HB ILE A 48 20.602 51.914 41.329 1.00 0.00 H ATOM 740 HG12 ILE A 48 22.083 53.530 40.914 1.00 0.00 H ATOM 741 HG13 ILE A 48 22.314 53.453 42.676 1.00 0.00 H ATOM 742 HD11 ILE A 48 24.278 52.007 42.356 1.00 0.00 H ATOM 743 HD12 ILE A 48 24.047 52.085 40.592 1.00 0.00 H ATOM 744 HD13 ILE A 48 24.461 53.559 41.501 1.00 0.00 H ATOM 745 HG21 ILE A 48 20.615 50.407 43.278 1.00 0.00 H ATOM 746 HG22 ILE A 48 22.257 50.950 43.704 1.00 0.00 H ATOM 747 HG23 ILE A 48 20.890 52.088 43.800 1.00 0.00 H ATOM 748 H ILE A 48 21.345 51.119 39.101 1.00 0.00 H ATOM 749 N LEU A 49 21.836 48.261 42.019 1.00 22.31 N ATOM 750 CA LEU A 49 21.047 47.080 42.380 1.00 3.00 C ATOM 751 C LEU A 49 20.611 47.232 43.831 1.00 19.08 C ATOM 752 O LEU A 49 21.369 47.778 44.637 1.00 17.61 O ATOM 753 CB LEU A 49 21.789 45.725 42.218 1.00 28.48 C ATOM 754 CG LEU A 49 21.695 45.033 40.844 1.00 28.84 C ATOM 755 CD1 LEU A 49 22.796 43.996 40.733 1.00 17.75 C ATOM 756 CD2 LEU A 49 20.366 44.313 40.657 1.00 38.25 C ATOM 757 HA LEU A 49 20.207 47.042 41.687 1.00 0.00 H ATOM 758 HB2 LEU A 49 22.844 45.901 42.426 1.00 0.00 H ATOM 759 HB3 LEU A 49 21.384 45.038 42.961 1.00 0.00 H ATOM 760 HG LEU A 49 21.789 45.807 40.083 1.00 0.00 H ATOM 761 HD21 LEU A 49 20.254 43.553 41.430 1.00 0.00 H ATOM 762 HD22 LEU A 49 19.551 45.032 40.733 1.00 0.00 H ATOM 763 HD23 LEU A 49 20.345 43.840 39.675 1.00 0.00 H ATOM 764 HD11 LEU A 49 23.765 44.485 40.832 1.00 0.00 H ATOM 765 HD12 LEU A 49 22.678 43.257 41.525 1.00 0.00 H ATOM 766 HD13 LEU A 49 22.733 43.504 39.762 1.00 0.00 H ATOM 767 H LEU A 49 22.825 48.334 42.333 1.00 0.00 H ATOM 768 N THR A 50 19.383 46.800 44.156 1.00 12.79 N ATOM 769 CA THR A 50 18.867 46.794 45.534 1.00 3.45 C ATOM 770 C THR A 50 18.522 45.362 45.968 1.00 37.71 C ATOM 771 O THR A 50 17.891 44.631 45.199 1.00 8.68 O ATOM 772 CB THR A 50 17.688 47.743 45.787 1.00 16.08 C ATOM 773 OG1 THR A 50 18.074 49.050 45.461 1.00 18.68 O ATOM 774 CG2 THR A 50 17.311 47.704 47.271 1.00 1.53 C ATOM 775 HA THR A 50 19.677 47.185 46.150 1.00 0.00 H ATOM 776 HB THR A 50 16.838 47.435 45.178 1.00 0.00 H ATOM 777 HG1 THR A 50 18.334 49.088 44.506 1.00 0.00 H ATOM 778 HG23 THR A 50 17.008 46.692 47.541 1.00 0.00 H ATOM 779 HG21 THR A 50 18.172 47.999 47.871 1.00 0.00 H ATOM 780 HG22 THR A 50 16.486 48.393 47.453 1.00 0.00 H ATOM 781 H THR A 50 18.765 46.452 43.396 1.00 0.00 H ATOM 782 N LEU A 51 18.959 44.970 47.187 1.00 9.12 N ATOM 783 CA LEU A 51 18.728 43.632 47.753 1.00 16.47 C ATOM 784 C LEU A 51 17.992 43.632 49.110 1.00 16.30 C ATOM 785 O LEU A 51 18.559 43.983 50.130 1.00 8.95 O ATOM 786 CB LEU A 51 20.043 42.809 47.835 1.00 14.19 C ATOM 787 CG LEU A 51 19.860 41.317 47.529 1.00 30.90 C ATOM 788 CD1 LEU A 51 21.200 40.603 47.365 1.00 28.06 C ATOM 789 CD2 LEU A 51 19.053 40.639 48.630 1.00 31.34 C ATOM 790 HA LEU A 51 18.052 43.144 47.051 1.00 0.00 H ATOM 791 HB2 LEU A 51 20.753 43.222 47.118 1.00 0.00 H ATOM 792 HB3 LEU A 51 20.447 42.906 48.843 1.00 0.00 H ATOM 793 HG LEU A 51 19.319 41.247 46.585 1.00 0.00 H ATOM 794 HD21 LEU A 51 19.577 40.744 49.580 1.00 0.00 H ATOM 795 HD22 LEU A 51 18.072 41.109 48.701 1.00 0.00 H ATOM 796 HD23 LEU A 51 18.935 39.582 48.393 1.00 0.00 H ATOM 797 HD11 LEU A 51 21.753 41.056 46.543 1.00 0.00 H ATOM 798 HD12 LEU A 51 21.775 40.696 48.286 1.00 0.00 H ATOM 799 HD13 LEU A 51 21.025 39.549 47.149 1.00 0.00 H ATOM 800 H LEU A 51 19.491 45.657 47.759 1.00 0.00 H ATOM 801 N LYS A 52 16.726 43.192 49.118 1.00 13.08 N ATOM 802 CA LYS A 52 15.898 43.111 50.330 1.00 7.26 C ATOM 803 C LYS A 52 15.747 41.635 50.816 1.00 18.28 C ATOM 804 O LYS A 52 15.562 40.777 49.986 1.00 14.66 O ATOM 805 CB LYS A 52 14.502 43.653 50.028 1.00 12.03 C ATOM 806 CG LYS A 52 14.367 45.172 50.079 1.00 11.56 C ATOM 807 CD LYS A 52 13.092 45.630 49.391 1.00 22.34 C ATOM 808 CE LYS A 52 12.882 47.136 49.369 1.00 37.83 C ATOM 809 NZ LYS A 52 11.768 47.526 48.491 1.00 69.04 N ATOM 810 HA LYS A 52 16.387 43.697 51.108 1.00 0.00 H ATOM 811 HB2 LYS A 52 14.222 43.323 49.028 1.00 0.00 H ATOM 812 HB3 LYS A 52 13.811 43.229 50.756 1.00 0.00 H ATOM 813 HG2 LYS A 52 14.345 45.493 51.120 1.00 0.00 H ATOM 814 HG3 LYS A 52 15.224 45.623 49.579 1.00 0.00 H ATOM 815 HD2 LYS A 52 13.117 45.276 48.360 1.00 0.00 H ATOM 816 HD3 LYS A 52 12.246 45.177 49.909 1.00 0.00 H ATOM 817 HE2 LYS A 52 13.795 47.613 49.013 1.00 0.00 H ATOM 818 HE3 LYS A 52 12.667 47.476 50.382 1.00 0.00 H ATOM 819 HZ1 LYS A 52 11.967 47.212 47.520 1.00 0.00 H ATOM 820 HZ2 LYS A 52 10.891 47.081 48.828 1.00 0.00 H ATOM 821 HZ3 LYS A 52 11.661 48.560 48.507 1.00 0.00 H ATOM 822 H LYS A 52 16.306 42.891 48.216 1.00 0.00 H ATOM 823 N THR A 53 15.781 41.347 52.132 1.00 13.71 N ATOM 824 CA THR A 53 15.686 40.029 52.790 1.00 6.33 C ATOM 825 C THR A 53 14.663 40.263 53.899 1.00 31.11 C ATOM 826 O THR A 53 14.931 41.057 54.814 1.00 26.08 O ATOM 827 CB THR A 53 17.137 39.791 53.344 1.00 11.20 C ATOM 828 OG1 THR A 53 17.723 39.327 52.242 1.00 24.23 O ATOM 829 CG2 THR A 53 17.884 38.575 53.877 1.00 35.83 C ATOM 830 HA THR A 53 15.382 39.174 52.185 1.00 0.00 H ATOM 831 HB THR A 53 17.131 40.628 54.042 1.00 0.00 H ATOM 832 HG1 THR A 53 18.673 39.124 52.435 1.00 0.00 H ATOM 833 HG23 THR A 53 17.705 38.481 54.948 1.00 0.00 H ATOM 834 HG21 THR A 53 17.528 37.680 53.367 1.00 0.00 H ATOM 835 HG22 THR A 53 18.952 38.698 53.696 1.00 0.00 H ATOM 836 H THR A 53 15.889 42.162 52.769 1.00 0.00 H ATOM 837 N HIS A 54 13.465 39.683 53.759 1.00 14.36 N ATOM 838 CA HIS A 54 12.391 39.875 54.717 1.00 1.00 C ATOM 839 C HIS A 54 11.995 38.611 55.485 1.00 25.21 C ATOM 840 O HIS A 54 11.756 37.557 54.916 1.00 13.07 O ATOM 841 CB HIS A 54 11.108 40.346 53.996 1.00 19.83 C ATOM 842 CG HIS A 54 11.060 41.759 53.514 1.00 27.64 C ATOM 843 ND1 HIS A 54 12.133 42.638 53.621 1.00 29.63 N ATOM 844 CD2 HIS A 54 10.039 42.410 52.902 1.00 22.85 C ATOM 845 CE1 HIS A 54 11.742 43.790 53.082 1.00 13.08 C ATOM 846 NE2 HIS A 54 10.488 43.686 52.646 1.00 35.30 N ATOM 847 HA HIS A 54 12.784 40.610 55.420 1.00 0.00 H ATOM 848 HB2 HIS A 54 10.967 39.701 53.129 1.00 0.00 H ATOM 849 HB3 HIS A 54 10.277 40.210 54.688 1.00 0.00 H ATOM 850 HD2 HIS A 54 9.057 42.003 52.661 1.00 0.00 H ATOM 851 HE1 HIS A 54 12.357 44.687 53.008 1.00 0.00 H ATOM 852 H HIS A 54 13.297 39.073 52.934 1.00 0.00 H ATOM 853 N SER A 55 11.799 38.738 56.791 1.00 23.74 N ATOM 854 CA SER A 55 11.337 37.617 57.594 1.00 34.77 C ATOM 855 C SER A 55 10.642 38.071 58.880 1.00 19.79 C ATOM 856 O SER A 55 10.641 39.254 59.219 1.00 21.53 O ATOM 857 CB SER A 55 12.402 36.557 57.814 1.00 18.41 C ATOM 858 OG SER A 55 13.206 36.895 58.920 1.00 17.53 O ATOM 859 HA SER A 55 10.569 37.115 57.006 1.00 0.00 H ATOM 860 HB2 SER A 55 13.027 36.484 56.924 1.00 0.00 H ATOM 861 HB3 SER A 55 11.921 35.596 57.999 1.00 0.00 H ATOM 862 HG SER A 55 13.646 37.766 58.753 1.00 0.00 H ATOM 863 H SER A 55 11.979 39.655 57.248 1.00 0.00 H ATOM 864 N THR A 56 10.016 37.134 59.578 1.00 15.32 N ATOM 865 CA THR A 56 9.293 37.416 60.814 1.00 12.23 C ATOM 866 C THR A 56 10.245 37.573 62.007 1.00 18.69 C ATOM 867 O THR A 56 9.854 37.730 63.160 1.00 33.53 O ATOM 868 CB THR A 56 8.339 36.256 61.077 1.00 16.73 C ATOM 869 OG1 THR A 56 8.846 34.868 61.031 1.00 63.93 O ATOM 870 CG2 THR A 56 6.975 36.522 61.326 1.00 33.42 C ATOM 871 HA THR A 56 8.752 38.356 60.700 1.00 0.00 H ATOM 872 HB THR A 56 8.246 35.870 62.092 1.00 0.00 H ATOM 873 HG1 THR A 56 8.105 34.241 61.223 1.00 0.00 H ATOM 874 HG23 THR A 56 6.809 37.599 61.319 1.00 0.00 H ATOM 875 HG21 THR A 56 6.368 36.054 60.551 1.00 0.00 H ATOM 876 HG22 THR A 56 6.699 36.117 62.300 1.00 0.00 H ATOM 877 H THR A 56 10.041 36.154 59.229 1.00 0.00 H ATOM 878 N PHE A 57 11.523 37.500 61.691 1.00 25.87 N ATOM 879 CA PHE A 57 12.563 37.613 62.670 1.00 8.90 C ATOM 880 C PHE A 57 13.450 38.850 62.452 1.00 53.12 C ATOM 881 O PHE A 57 13.478 39.735 63.294 1.00 24.48 O ATOM 882 CB PHE A 57 13.385 36.319 62.749 1.00 12.17 C ATOM 883 CG PHE A 57 14.425 36.440 63.813 1.00 33.55 C ATOM 884 CD1 PHE A 57 14.098 36.982 65.049 1.00 27.30 C ATOM 885 CD2 PHE A 57 15.742 36.053 63.569 1.00 26.76 C ATOM 886 CE1 PHE A 57 15.062 37.116 66.056 1.00 41.98 C ATOM 887 CE2 PHE A 57 16.726 36.184 64.557 1.00 65.84 C ATOM 888 CZ PHE A 57 16.376 36.715 65.801 1.00 30.59 C ATOM 889 HA PHE A 57 12.080 37.760 63.636 1.00 0.00 H ATOM 890 HB2 PHE A 57 12.724 35.485 62.983 1.00 0.00 H ATOM 891 HB3 PHE A 57 13.869 36.139 61.789 1.00 0.00 H ATOM 892 HD2 PHE A 57 16.010 35.643 62.595 1.00 0.00 H ATOM 893 HE2 PHE A 57 17.752 35.875 64.358 1.00 0.00 H ATOM 894 HZ PHE A 57 17.133 36.817 66.578 1.00 0.00 H ATOM 895 HE1 PHE A 57 14.790 37.528 67.028 1.00 0.00 H ATOM 896 HD1 PHE A 57 13.075 37.308 65.238 1.00 0.00 H ATOM 897 H PHE A 57 11.786 37.355 60.695 1.00 0.00 H ATOM 898 N LYS A 58 14.175 38.918 61.325 1.00 14.64 N ATOM 899 CA LYS A 58 15.061 40.049 61.013 1.00 14.57 C ATOM 900 C LYS A 58 14.854 40.549 59.590 1.00 19.58 C ATOM 901 O LYS A 58 14.486 39.787 58.691 1.00 17.48 O ATOM 902 CB LYS A 58 16.543 39.685 61.107 1.00 30.95 C ATOM 903 CG LYS A 58 17.116 39.568 62.512 1.00 40.01 C ATOM 904 CD LYS A 58 17.162 40.885 63.272 1.00100.00 C ATOM 905 CE LYS A 58 18.541 41.535 63.299 1.00100.00 C ATOM 906 NZ LYS A 58 18.701 42.597 62.292 1.00 76.30 N ATOM 907 HA LYS A 58 14.803 40.808 61.752 1.00 0.00 H ATOM 908 HB2 LYS A 58 16.683 38.725 60.609 1.00 0.00 H ATOM 909 HB3 LYS A 58 17.109 40.453 60.579 1.00 0.00 H ATOM 910 HG2 LYS A 58 16.501 38.867 63.076 1.00 0.00 H ATOM 911 HG3 LYS A 58 18.132 39.179 62.437 1.00 0.00 H ATOM 912 HD2 LYS A 58 16.465 41.578 62.801 1.00 0.00 H ATOM 913 HD3 LYS A 58 16.849 40.700 64.300 1.00 0.00 H ATOM 914 HE2 LYS A 58 19.291 40.766 63.114 1.00 0.00 H ATOM 915 HE3 LYS A 58 18.702 41.967 64.287 1.00 0.00 H ATOM 916 HZ1 LYS A 58 18.560 42.197 61.342 1.00 0.00 H ATOM 917 HZ2 LYS A 58 17.998 43.344 62.463 1.00 0.00 H ATOM 918 HZ3 LYS A 58 19.658 42.998 62.362 1.00 0.00 H ATOM 919 H LYS A 58 14.107 38.136 60.642 1.00 0.00 H ATOM 920 N ASN A 59 15.109 41.839 59.370 1.00 16.11 N ATOM 921 CA ASN A 59 15.007 42.422 58.036 1.00 30.29 C ATOM 922 C ASN A 59 16.264 43.214 57.650 1.00 19.37 C ATOM 923 O ASN A 59 16.862 43.914 58.466 1.00 17.52 O ATOM 924 CB ASN A 59 13.686 43.176 57.763 1.00 4.98 C ATOM 925 CG ASN A 59 12.452 42.279 57.889 1.00 53.83 C ATOM 926 OD1 ASN A 59 11.584 42.248 57.019 1.00 35.16 O ATOM 927 ND2 ASN A 59 12.350 41.538 58.982 1.00 49.37 N ATOM 928 HA ASN A 59 14.959 41.573 57.354 1.00 0.00 H ATOM 929 HB2 ASN A 59 13.597 43.993 58.479 1.00 0.00 H ATOM 930 HB3 ASN A 59 13.719 43.582 56.752 1.00 0.00 H ATOM 931 HD22 ASN A 59 13.094 41.577 59.708 1.00 0.00 H ATOM 932 HD21 ASN A 59 11.526 40.917 59.114 1.00 0.00 H ATOM 933 H ASN A 59 15.387 42.445 60.168 1.00 0.00 H ATOM 934 N THR A 60 16.694 43.065 56.398 1.00 13.26 N ATOM 935 CA THR A 60 17.882 43.754 55.899 1.00 7.74 C ATOM 936 C THR A 60 17.649 44.340 54.497 1.00 12.70 C ATOM 937 O THR A 60 16.770 43.884 53.757 1.00 10.23 O ATOM 938 CB THR A 60 19.192 42.909 55.948 1.00 16.96 C ATOM 939 OG1 THR A 60 19.130 41.835 55.038 1.00 12.67 O ATOM 940 CG2 THR A 60 19.549 42.395 57.347 1.00 8.90 C ATOM 941 HA THR A 60 18.044 44.574 56.598 1.00 0.00 H ATOM 942 HB THR A 60 19.991 43.591 55.659 1.00 0.00 H ATOM 943 HG1 THR A 60 19.970 41.314 55.087 1.00 0.00 H ATOM 944 HG23 THR A 60 19.594 43.235 58.041 1.00 0.00 H ATOM 945 HG21 THR A 60 18.788 41.688 57.678 1.00 0.00 H ATOM 946 HG22 THR A 60 20.518 41.898 57.314 1.00 0.00 H ATOM 947 H THR A 60 16.168 42.439 55.756 1.00 0.00 H ATOM 948 N GLU A 61 18.442 45.365 54.150 1.00 15.32 N ATOM 949 CA GLU A 61 18.375 46.051 52.860 1.00 16.78 C ATOM 950 C GLU A 61 19.699 46.745 52.526 1.00 21.70 C ATOM 951 O GLU A 61 20.278 47.382 53.399 1.00 14.97 O ATOM 952 CB GLU A 61 17.147 47.001 52.758 1.00 7.85 C ATOM 953 CG GLU A 61 17.251 48.119 51.705 1.00 2.48 C ATOM 954 CD GLU A 61 15.909 48.748 51.413 1.00 28.52 C ATOM 955 OE1 GLU A 61 14.865 48.366 51.914 1.00 11.66 O ATOM 956 OE2 GLU A 61 15.973 49.754 50.566 1.00 7.23 O ATOM 957 HA GLU A 61 18.220 45.290 52.095 1.00 0.00 H ATOM 958 HB2 GLU A 61 16.274 46.395 52.517 1.00 0.00 H ATOM 959 HB3 GLU A 61 17.005 47.470 53.732 1.00 0.00 H ATOM 960 HG2 GLU A 61 17.928 48.889 52.075 1.00 0.00 H ATOM 961 HG3 GLU A 61 17.651 47.698 50.783 1.00 0.00 H ATOM 962 H GLU A 61 19.148 45.692 54.841 1.00 0.00 H ATOM 963 N ILE A 62 20.197 46.537 51.285 1.00 10.18 N ATOM 964 CA ILE A 62 21.441 47.128 50.786 1.00 4.33 C ATOM 965 C ILE A 62 21.247 47.580 49.345 1.00 8.02 C ATOM 966 O ILE A 62 20.466 46.998 48.607 1.00 17.79 O ATOM 967 CB ILE A 62 22.648 46.174 50.819 1.00 4.53 C ATOM 968 CG1 ILE A 62 22.379 44.910 50.010 1.00 9.79 C ATOM 969 CG2 ILE A 62 23.107 45.844 52.236 1.00 12.72 C ATOM 970 CD1 ILE A 62 23.528 43.899 50.032 1.00 8.43 C ATOM 971 HA ILE A 62 21.661 47.960 51.455 1.00 0.00 H ATOM 972 HB ILE A 62 23.474 46.706 50.347 1.00 0.00 H ATOM 973 HG12 ILE A 62 21.490 44.427 50.414 1.00 0.00 H ATOM 974 HG13 ILE A 62 22.196 45.198 48.975 1.00 0.00 H ATOM 975 HD11 ILE A 62 24.425 44.361 49.619 1.00 0.00 H ATOM 976 HD12 ILE A 62 23.718 43.589 51.060 1.00 0.00 H ATOM 977 HD13 ILE A 62 23.257 43.030 49.433 1.00 0.00 H ATOM 978 HG21 ILE A 62 23.396 46.763 52.746 1.00 0.00 H ATOM 979 HG22 ILE A 62 22.291 45.366 52.779 1.00 0.00 H ATOM 980 HG23 ILE A 62 23.961 45.168 52.192 1.00 0.00 H ATOM 981 H ILE A 62 19.662 45.917 50.644 1.00 0.00 H ATOM 982 N SER A 63 21.996 48.593 48.945 1.00 6.99 N ATOM 983 CA SER A 63 21.971 49.120 47.584 1.00 8.48 C ATOM 984 C SER A 63 23.425 49.285 47.152 1.00 12.37 C ATOM 985 O SER A 63 24.208 49.749 47.975 1.00 15.71 O ATOM 986 CB SER A 63 21.301 50.487 47.571 1.00 7.51 C ATOM 987 OG SER A 63 19.891 50.407 47.599 1.00 3.54 O ATOM 988 HA SER A 63 21.422 48.452 46.920 1.00 0.00 H ATOM 989 HB2 SER A 63 21.602 51.014 46.666 1.00 0.00 H ATOM 990 HB3 SER A 63 21.636 51.047 48.444 1.00 0.00 H ATOM 991 HG SER A 63 19.574 49.907 46.805 1.00 0.00 H ATOM 992 H SER A 63 22.635 49.037 49.635 1.00 0.00 H ATOM 993 N PHE A 64 23.824 48.893 45.918 1.00 17.41 N ATOM 994 CA PHE A 64 25.239 49.030 45.478 1.00 1.11 C ATOM 995 C PHE A 64 25.370 49.071 43.947 1.00 10.49 C ATOM 996 O PHE A 64 24.390 48.932 43.213 1.00 15.67 O ATOM 997 CB PHE A 64 26.116 47.871 46.031 1.00 1.28 C ATOM 998 CG PHE A 64 25.477 46.532 45.676 1.00 8.72 C ATOM 999 CD1 PHE A 64 24.504 45.984 46.497 1.00 6.03 C ATOM 1000 CD2 PHE A 64 25.747 45.886 44.465 1.00 7.94 C ATOM 1001 CE1 PHE A 64 23.835 44.793 46.149 1.00 8.51 C ATOM 1002 CE2 PHE A 64 25.111 44.702 44.109 1.00 14.33 C ATOM 1003 CZ PHE A 64 24.148 44.154 44.950 1.00 17.65 C ATOM 1004 HA PHE A 64 25.592 49.979 45.882 1.00 0.00 H ATOM 1005 HB2 PHE A 64 27.111 47.927 45.590 1.00 0.00 H ATOM 1006 HB3 PHE A 64 26.194 47.960 47.115 1.00 0.00 H ATOM 1007 HD2 PHE A 64 26.476 46.323 43.782 1.00 0.00 H ATOM 1008 HE2 PHE A 64 25.366 44.204 43.173 1.00 0.00 H ATOM 1009 HZ PHE A 64 23.641 43.230 44.673 1.00 0.00 H ATOM 1010 HE1 PHE A 64 23.078 44.375 46.813 1.00 0.00 H ATOM 1011 HD1 PHE A 64 24.251 46.485 47.432 1.00 0.00 H ATOM 1012 H PHE A 64 23.125 48.487 45.263 1.00 0.00 H ATOM 1013 N LYS A 65 26.620 49.245 43.490 1.00 15.35 N ATOM 1014 CA LYS A 65 27.064 49.193 42.094 1.00 23.13 C ATOM 1015 C LYS A 65 28.095 48.066 42.020 1.00 18.93 C ATOM 1016 O LYS A 65 28.983 47.987 42.874 1.00 18.71 O ATOM 1017 CB LYS A 65 27.761 50.454 41.601 1.00 17.77 C ATOM 1018 CG LYS A 65 27.021 51.759 41.804 1.00 16.93 C ATOM 1019 CD LYS A 65 27.767 52.924 41.162 1.00 49.33 C ATOM 1020 CE LYS A 65 27.106 54.276 41.384 1.00100.00 C ATOM 1021 NZ LYS A 65 27.084 55.115 40.176 1.00 56.51 N ATOM 1022 HA LYS A 65 26.178 49.058 41.474 1.00 0.00 H ATOM 1023 HB2 LYS A 65 28.716 50.530 42.122 1.00 0.00 H ATOM 1024 HB3 LYS A 65 27.940 50.337 40.532 1.00 0.00 H ATOM 1025 HG2 LYS A 65 26.031 51.680 41.355 1.00 0.00 H ATOM 1026 HG3 LYS A 65 26.920 51.948 42.873 1.00 0.00 H ATOM 1027 HD2 LYS A 65 28.773 52.960 41.581 1.00 0.00 H ATOM 1028 HD3 LYS A 65 27.828 52.743 40.089 1.00 0.00 H ATOM 1029 HE2 LYS A 65 27.653 54.806 42.164 1.00 0.00 H ATOM 1030 HE3 LYS A 65 26.079 54.111 41.710 1.00 0.00 H ATOM 1031 HZ1 LYS A 65 28.059 55.289 39.859 1.00 0.00 H ATOM 1032 HZ2 LYS A 65 26.556 54.626 39.425 1.00 0.00 H ATOM 1033 HZ3 LYS A 65 26.621 56.021 40.393 1.00 0.00 H ATOM 1034 H LYS A 65 27.352 49.437 44.203 1.00 0.00 H ATOM 1035 N LEU A 66 27.946 47.194 41.025 1.00 16.26 N ATOM 1036 CA LEU A 66 28.831 46.054 40.791 1.00 3.39 C ATOM 1037 C LEU A 66 30.299 46.543 40.680 1.00 22.14 C ATOM 1038 O LEU A 66 30.544 47.550 40.014 1.00 27.72 O ATOM 1039 CB LEU A 66 28.389 45.400 39.436 1.00 10.47 C ATOM 1040 CG LEU A 66 27.494 44.136 39.439 1.00 18.06 C ATOM 1041 CD1 LEU A 66 26.455 44.112 40.543 1.00 10.18 C ATOM 1042 CD2 LEU A 66 26.792 43.973 38.085 1.00 7.86 C ATOM 1043 HA LEU A 66 28.769 45.338 41.610 1.00 0.00 H ATOM 1044 HB2 LEU A 66 27.850 46.166 38.878 1.00 0.00 H ATOM 1045 HB3 LEU A 66 29.302 45.138 38.901 1.00 0.00 H ATOM 1046 HG LEU A 66 28.172 43.303 39.627 1.00 0.00 H ATOM 1047 HD21 LEU A 66 26.171 44.848 37.892 1.00 0.00 H ATOM 1048 HD22 LEU A 66 27.540 43.876 37.298 1.00 0.00 H ATOM 1049 HD23 LEU A 66 26.168 43.080 38.106 1.00 0.00 H ATOM 1050 HD11 LEU A 66 26.954 44.153 41.511 1.00 0.00 H ATOM 1051 HD12 LEU A 66 25.794 44.972 40.437 1.00 0.00 H ATOM 1052 HD13 LEU A 66 25.872 43.194 40.472 1.00 0.00 H ATOM 1053 H LEU A 66 27.149 47.333 40.372 1.00 0.00 H ATOM 1054 N GLY A 67 31.271 45.865 41.327 1.00 8.26 N ATOM 1055 CA GLY A 67 32.705 46.201 41.238 1.00 3.93 C ATOM 1056 C GLY A 67 33.217 47.381 42.075 1.00 17.91 C ATOM 1057 O GLY A 67 34.412 47.681 42.016 1.00 12.38 O ATOM 1058 HA3 GLY A 67 32.923 46.424 40.194 1.00 0.00 H ATOM 1059 HA2 GLY A 67 33.266 45.318 41.544 1.00 0.00 H ATOM 1060 H GLY A 67 30.993 45.059 41.923 1.00 0.00 H ATOM 1061 N VAL A 68 32.313 48.032 42.853 1.00 24.41 N ATOM 1062 CA VAL A 68 32.633 49.162 43.756 1.00 2.83 C ATOM 1063 C VAL A 68 32.475 48.746 45.223 1.00 10.30 C ATOM 1064 O VAL A 68 31.408 48.283 45.607 1.00 15.87 O ATOM 1065 CB VAL A 68 31.750 50.410 43.527 1.00 9.24 C ATOM 1066 CG1 VAL A 68 32.146 51.486 44.535 1.00 10.34 C ATOM 1067 CG2 VAL A 68 31.865 50.975 42.119 1.00 11.27 C ATOM 1068 HA VAL A 68 33.665 49.425 43.525 1.00 0.00 H ATOM 1069 HB VAL A 68 30.713 50.102 43.661 1.00 0.00 H ATOM 1070 HG11 VAL A 68 31.996 51.108 45.546 1.00 0.00 H ATOM 1071 HG12 VAL A 68 33.195 51.745 44.395 1.00 0.00 H ATOM 1072 HG13 VAL A 68 31.528 52.371 44.381 1.00 0.00 H ATOM 1073 HG21 VAL A 68 32.899 51.263 41.928 1.00 0.00 H ATOM 1074 HG22 VAL A 68 31.558 50.217 41.398 1.00 0.00 H ATOM 1075 HG23 VAL A 68 31.220 51.849 42.026 1.00 0.00 H ATOM 1076 H VAL A 68 31.324 47.714 42.812 1.00 0.00 H ATOM 1077 N GLU A 69 33.524 48.925 46.045 1.00 7.71 N ATOM 1078 CA GLU A 69 33.509 48.541 47.477 1.00 4.01 C ATOM 1079 C GLU A 69 32.568 49.400 48.302 1.00 14.11 C ATOM 1080 O GLU A 69 32.548 50.609 48.144 1.00 16.56 O ATOM 1081 CB GLU A 69 34.936 48.615 48.087 1.00 11.65 C ATOM 1082 CG GLU A 69 35.210 47.653 49.274 1.00 46.09 C ATOM 1083 CD GLU A 69 36.599 47.795 49.871 1.00 67.05 C ATOM 1084 OE1 GLU A 69 36.808 48.972 50.401 1.00 18.54 O ATOM 1085 OE2 GLU A 69 37.434 46.904 49.871 1.00 29.62 O ATOM 1086 HA GLU A 69 33.146 47.514 47.512 1.00 0.00 H ATOM 1087 HB2 GLU A 69 35.651 48.385 47.297 1.00 0.00 H ATOM 1088 HB3 GLU A 69 35.099 49.634 48.437 1.00 0.00 H ATOM 1089 HG2 GLU A 69 34.478 47.854 50.056 1.00 0.00 H ATOM 1090 HG3 GLU A 69 35.091 46.629 48.921 1.00 0.00 H ATOM 1091 H GLU A 69 34.388 49.354 45.657 1.00 0.00 H ATOM 1092 N PHE A 70 31.804 48.795 49.210 1.00 13.77 N ATOM 1093 CA PHE A 70 30.885 49.562 50.045 1.00 20.78 C ATOM 1094 C PHE A 70 30.867 49.074 51.501 1.00 13.72 C ATOM 1095 O PHE A 70 31.243 47.937 51.770 1.00 16.30 O ATOM 1096 CB PHE A 70 29.477 49.538 49.433 1.00 2.48 C ATOM 1097 CG PHE A 70 28.897 48.137 49.354 1.00 32.64 C ATOM 1098 CD1 PHE A 70 29.160 47.298 48.269 1.00 13.53 C ATOM 1099 CD2 PHE A 70 28.089 47.653 50.381 1.00 12.33 C ATOM 1100 CE1 PHE A 70 28.623 46.022 48.213 1.00 13.70 C ATOM 1101 CE2 PHE A 70 27.517 46.390 50.323 1.00 17.92 C ATOM 1102 CZ PHE A 70 27.788 45.573 49.234 1.00 1.20 C ATOM 1103 HA PHE A 70 31.243 50.591 50.072 1.00 0.00 H ATOM 1104 HB2 PHE A 70 28.819 50.154 50.046 1.00 0.00 H ATOM 1105 HB3 PHE A 70 29.527 49.953 48.426 1.00 0.00 H ATOM 1106 HD2 PHE A 70 27.902 48.282 51.251 1.00 0.00 H ATOM 1107 HE2 PHE A 70 26.863 46.044 51.123 1.00 0.00 H ATOM 1108 HZ PHE A 70 27.347 44.578 49.177 1.00 0.00 H ATOM 1109 HE1 PHE A 70 28.854 45.370 47.371 1.00 0.00 H ATOM 1110 HD1 PHE A 70 29.795 47.651 47.457 1.00 0.00 H ATOM 1111 H PHE A 70 31.863 47.763 49.325 1.00 0.00 H ATOM 1112 N ASP A 71 30.438 49.921 52.458 1.00 6.43 N ATOM 1113 CA ASP A 71 30.358 49.497 53.863 1.00 30.44 C ATOM 1114 C ASP A 71 29.006 48.815 54.121 1.00 15.28 C ATOM 1115 O ASP A 71 27.981 49.274 53.648 1.00 19.32 O ATOM 1116 CB ASP A 71 30.600 50.614 54.932 1.00 37.23 C ATOM 1117 CG ASP A 71 31.950 51.323 54.982 1.00 30.73 C ATOM 1118 OD1 ASP A 71 33.046 50.775 54.938 1.00 26.29 O ATOM 1119 OD2 ASP A 71 31.811 52.619 55.129 1.00 52.27 O ATOM 1120 HA ASP A 71 31.190 48.805 53.993 1.00 0.00 H ATOM 1121 HB2 ASP A 71 29.844 51.381 54.766 1.00 0.00 H ATOM 1122 HB3 ASP A 71 30.444 50.157 55.909 1.00 0.00 H ATOM 1123 H ASP A 71 30.160 50.889 52.198 1.00 0.00 H ATOM 1124 N GLU A 72 29.019 47.710 54.878 1.00 32.61 N ATOM 1125 CA GLU A 72 27.828 46.939 55.223 1.00 21.66 C ATOM 1126 C GLU A 72 27.859 46.503 56.690 1.00 17.32 C ATOM 1127 O GLU A 72 28.942 46.259 57.255 1.00 14.39 O ATOM 1128 CB GLU A 72 27.765 45.674 54.313 1.00 12.94 C ATOM 1129 CG GLU A 72 26.582 44.702 54.525 1.00 9.96 C ATOM 1130 CD GLU A 72 26.654 43.469 53.641 1.00 12.28 C ATOM 1131 OE1 GLU A 72 27.564 43.257 52.836 1.00 11.49 O ATOM 1132 OE2 GLU A 72 25.636 42.657 53.821 1.00 15.50 O ATOM 1133 HA GLU A 72 26.950 47.566 55.070 1.00 0.00 H ATOM 1134 HB2 GLU A 72 27.725 46.017 53.279 1.00 0.00 H ATOM 1135 HB3 GLU A 72 28.684 45.110 54.473 1.00 0.00 H ATOM 1136 HG2 GLU A 72 26.579 44.382 55.567 1.00 0.00 H ATOM 1137 HG3 GLU A 72 25.655 45.232 54.306 1.00 0.00 H ATOM 1138 H GLU A 72 29.935 47.380 55.243 1.00 0.00 H ATOM 1139 N THR A 73 26.669 46.403 57.302 1.00 9.78 N ATOM 1140 CA THR A 73 26.494 45.861 58.653 1.00 7.36 C ATOM 1141 C THR A 73 25.500 44.731 58.519 1.00 14.76 C ATOM 1142 O THR A 73 24.368 44.980 58.154 1.00 19.16 O ATOM 1143 CB THR A 73 25.892 46.819 59.667 1.00 10.91 C ATOM 1144 OG1 THR A 73 24.531 46.958 59.339 1.00 40.50 O ATOM 1145 CG2 THR A 73 26.613 48.150 59.665 1.00 4.17 C ATOM 1146 HA THR A 73 27.486 45.593 59.017 1.00 0.00 H ATOM 1147 HB THR A 73 25.998 46.429 60.679 1.00 0.00 H ATOM 1148 HG1 THR A 73 24.089 46.073 59.386 1.00 0.00 H ATOM 1149 HG23 THR A 73 27.660 47.995 59.923 1.00 0.00 H ATOM 1150 HG21 THR A 73 26.545 48.597 58.673 1.00 0.00 H ATOM 1151 HG22 THR A 73 26.151 48.813 60.397 1.00 0.00 H ATOM 1152 H THR A 73 25.824 46.728 56.790 1.00 0.00 H ATOM 1153 N THR A 74 25.925 43.503 58.784 1.00 4.02 N ATOM 1154 CA THR A 74 25.112 42.302 58.586 1.00 1.27 C ATOM 1155 C THR A 74 24.010 42.032 59.614 1.00 11.06 C ATOM 1156 O THR A 74 23.919 42.729 60.632 1.00 23.87 O ATOM 1157 CB THR A 74 26.097 41.144 58.518 1.00 7.03 C ATOM 1158 OG1 THR A 74 26.580 40.902 59.830 1.00 13.50 O ATOM 1159 CG2 THR A 74 27.269 41.571 57.638 1.00 12.19 C ATOM 1160 HA THR A 74 24.533 42.442 57.673 1.00 0.00 H ATOM 1161 HB THR A 74 25.623 40.249 58.114 1.00 0.00 H ATOM 1162 HG1 THR A 74 27.224 40.151 59.810 1.00 0.00 H ATOM 1163 HG23 THR A 74 26.912 41.760 56.626 1.00 0.00 H ATOM 1164 HG21 THR A 74 27.714 42.480 58.044 1.00 0.00 H ATOM 1165 HG22 THR A 74 28.015 40.777 57.619 1.00 0.00 H ATOM 1166 H THR A 74 26.890 43.387 59.153 1.00 0.00 H ATOM 1167 N ALA A 75 23.203 40.973 59.334 1.00 21.76 N ATOM 1168 CA ALA A 75 22.080 40.515 60.182 1.00 1.25 C ATOM 1169 C ALA A 75 22.516 40.025 61.558 1.00 14.47 C ATOM 1170 O ALA A 75 21.774 40.113 62.549 1.00 25.73 O ATOM 1171 CB ALA A 75 21.132 39.561 59.481 1.00 3.19 C ATOM 1172 HA ALA A 75 21.492 41.413 60.368 1.00 0.00 H ATOM 1173 HB1 ALA A 75 20.700 40.054 58.610 1.00 0.00 H ATOM 1174 HB2 ALA A 75 21.680 38.674 59.163 1.00 0.00 H ATOM 1175 HB3 ALA A 75 20.337 39.271 60.168 1.00 0.00 H ATOM 1176 H ALA A 75 23.390 40.445 58.457 1.00 0.00 H ATOM 1177 N ASP A 76 23.760 39.564 61.623 1.00 25.92 N ATOM 1178 CA ASP A 76 24.337 39.150 62.876 1.00 22.27 C ATOM 1179 C ASP A 76 25.149 40.295 63.471 1.00 16.90 C ATOM 1180 O ASP A 76 25.945 40.122 64.377 1.00 28.87 O ATOM 1181 CB ASP A 76 25.139 37.822 62.822 1.00 23.82 C ATOM 1182 CG ASP A 76 26.354 37.851 61.930 1.00 17.12 C ATOM 1183 OD1 ASP A 76 26.124 38.435 60.793 1.00 18.66 O ATOM 1184 OD2 ASP A 76 27.442 37.374 62.236 1.00 30.03 O ATOM 1185 HA ASP A 76 23.503 38.915 63.537 1.00 0.00 H ATOM 1186 HB2 ASP A 76 25.467 37.582 63.834 1.00 0.00 H ATOM 1187 HB3 ASP A 76 24.473 37.038 62.462 1.00 0.00 H ATOM 1188 H ASP A 76 24.327 39.501 60.754 1.00 0.00 H ATOM 1189 N ASP A 77 24.980 41.492 62.937 1.00 17.62 N ATOM 1190 CA ASP A 77 25.691 42.656 63.441 1.00 13.74 C ATOM 1191 C ASP A 77 27.205 42.737 63.242 1.00 19.74 C ATOM 1192 O ASP A 77 27.921 43.238 64.103 1.00 28.02 O ATOM 1193 CB ASP A 77 25.276 43.107 64.859 1.00 28.93 C ATOM 1194 CG ASP A 77 23.827 43.537 64.976 1.00 56.65 C ATOM 1195 OD1 ASP A 77 23.474 44.458 64.106 1.00100.00 O ATOM 1196 OD2 ASP A 77 23.062 43.077 65.807 1.00 64.51 O ATOM 1197 HA ASP A 77 25.316 43.391 62.729 1.00 0.00 H ATOM 1198 HB2 ASP A 77 25.443 42.276 65.545 1.00 0.00 H ATOM 1199 HB3 ASP A 77 25.907 43.948 65.149 1.00 0.00 H ATOM 1200 H ASP A 77 24.324 41.604 62.138 1.00 0.00 H ATOM 1201 N ARG A 78 27.723 42.274 62.117 1.00 6.85 N ATOM 1202 CA ARG A 78 29.138 42.478 61.883 1.00 6.28 C ATOM 1203 C ARG A 78 29.200 43.765 61.082 1.00 31.47 C ATOM 1204 O ARG A 78 28.201 44.132 60.474 1.00 23.59 O ATOM 1205 CB ARG A 78 29.816 41.376 61.073 1.00 9.52 C ATOM 1206 CG ARG A 78 30.266 40.173 61.894 1.00 41.12 C ATOM 1207 CD ARG A 78 29.654 38.873 61.373 1.00 28.40 C ATOM 1208 NE ARG A 78 30.191 38.542 60.062 1.00 13.40 N ATOM 1209 CZ ARG A 78 29.509 38.310 58.931 1.00 17.39 C ATOM 1210 NH1 ARG A 78 28.180 38.295 58.826 1.00 12.74 N ATOM 1211 NH2 ARG A 78 30.214 38.072 57.845 1.00 22.40 N ATOM 1212 HA ARG A 78 29.662 42.493 62.839 1.00 0.00 H ATOM 1213 HB2 ARG A 78 29.113 41.028 60.316 1.00 0.00 H ATOM 1214 HB3 ARG A 78 30.692 41.802 60.585 1.00 0.00 H ATOM 1215 HG2 ARG A 78 31.352 40.097 61.844 1.00 0.00 H ATOM 1216 HG3 ARG A 78 29.960 40.318 62.930 1.00 0.00 H ATOM 1217 HD2 ARG A 78 28.573 38.991 61.298 1.00 0.00 H ATOM 1218 HD3 ARG A 78 29.883 38.065 62.068 1.00 0.00 H ATOM 1219 HE ARG A 78 31.227 38.478 59.994 1.00 0.00 H ATOM 1220 HH12 ARG A 78 27.733 38.106 57.906 1.00 0.00 H ATOM 1221 HH11 ARG A 78 27.590 38.473 59.664 1.00 0.00 H ATOM 1222 HH22 ARG A 78 29.732 37.886 56.942 1.00 0.00 H ATOM 1223 HH21 ARG A 78 31.253 38.070 57.890 1.00 0.00 H ATOM 1224 H ARG A 78 27.132 41.778 61.420 1.00 0.00 H ATOM 1225 N LYS A 79 30.342 44.440 61.080 1.00 14.41 N ATOM 1226 CA LYS A 79 30.548 45.652 60.309 1.00 13.32 C ATOM 1227 C LYS A 79 31.660 45.341 59.281 1.00 9.04 C ATOM 1228 O LYS A 79 32.811 45.257 59.646 1.00 10.09 O ATOM 1229 CB LYS A 79 30.867 46.843 61.231 1.00 21.71 C ATOM 1230 CG LYS A 79 32.177 46.728 62.005 1.00100.00 C ATOM 1231 CD LYS A 79 32.237 45.581 63.008 1.00 39.52 C ATOM 1232 CE LYS A 79 33.235 44.513 62.592 1.00 79.03 C ATOM 1233 NZ LYS A 79 34.331 45.046 61.766 1.00 35.06 N ATOM 1234 HA LYS A 79 29.647 45.954 59.775 1.00 0.00 H ATOM 1235 HB2 LYS A 79 30.915 47.743 60.617 1.00 0.00 H ATOM 1236 HB3 LYS A 79 30.055 46.939 61.952 1.00 0.00 H ATOM 1237 HG2 LYS A 79 32.984 46.590 61.285 1.00 0.00 H ATOM 1238 HG3 LYS A 79 32.332 47.660 62.548 1.00 0.00 H ATOM 1239 HD2 LYS A 79 32.530 45.978 63.980 1.00 0.00 H ATOM 1240 HD3 LYS A 79 31.248 45.128 63.085 1.00 0.00 H ATOM 1241 HE2 LYS A 79 32.709 43.748 62.021 1.00 0.00 H ATOM 1242 HE3 LYS A 79 33.661 44.066 63.490 1.00 0.00 H ATOM 1243 HZ1 LYS A 79 33.938 45.468 60.901 1.00 0.00 H ATOM 1244 HZ2 LYS A 79 34.847 45.772 62.303 1.00 0.00 H ATOM 1245 HZ3 LYS A 79 34.980 44.274 61.513 1.00 0.00 H ATOM 1246 H LYS A 79 31.128 44.083 61.660 1.00 0.00 H ATOM 1247 N VAL A 80 31.338 45.092 57.998 1.00 11.40 N ATOM 1248 CA VAL A 80 32.362 44.672 57.013 1.00 10.76 C ATOM 1249 C VAL A 80 32.554 45.552 55.759 1.00 27.95 C ATOM 1250 O VAL A 80 31.730 46.398 55.414 1.00 6.72 O ATOM 1251 CB VAL A 80 32.023 43.258 56.514 1.00 30.56 C ATOM 1252 CG1 VAL A 80 31.815 42.296 57.683 1.00 19.45 C ATOM 1253 CG2 VAL A 80 30.738 43.314 55.688 1.00 19.15 C ATOM 1254 HA VAL A 80 33.294 44.751 57.572 1.00 0.00 H ATOM 1255 HB VAL A 80 32.855 42.898 55.909 1.00 0.00 H ATOM 1256 HG11 VAL A 80 32.727 42.247 58.278 1.00 0.00 H ATOM 1257 HG12 VAL A 80 30.993 42.653 58.304 1.00 0.00 H ATOM 1258 HG13 VAL A 80 31.577 41.304 57.298 1.00 0.00 H ATOM 1259 HG21 VAL A 80 29.925 43.689 56.309 1.00 0.00 H ATOM 1260 HG22 VAL A 80 30.884 43.979 54.837 1.00 0.00 H ATOM 1261 HG23 VAL A 80 30.493 42.314 55.331 1.00 0.00 H ATOM 1262 H VAL A 80 30.350 45.197 57.692 1.00 0.00 H ATOM 1263 N LYS A 81 33.644 45.288 55.027 1.00 10.69 N ATOM 1264 CA LYS A 81 33.944 45.950 53.768 1.00 19.74 C ATOM 1265 C LYS A 81 33.504 45.014 52.642 1.00 17.53 C ATOM 1266 O LYS A 81 34.034 43.911 52.524 1.00 13.05 O ATOM 1267 CB LYS A 81 35.422 46.258 53.662 1.00 15.82 C ATOM 1268 CG LYS A 81 35.937 47.046 54.854 1.00 27.32 C ATOM 1269 CD LYS A 81 35.508 48.504 54.811 1.00 34.02 C ATOM 1270 CE LYS A 81 36.328 49.414 55.712 1.00 26.54 C ATOM 1271 NZ LYS A 81 35.830 50.799 55.730 1.00 17.05 N ATOM 1272 HA LYS A 81 33.414 46.900 53.703 1.00 0.00 H ATOM 1273 HB2 LYS A 81 35.972 45.319 53.599 1.00 0.00 H ATOM 1274 HB3 LYS A 81 35.594 46.840 52.757 1.00 0.00 H ATOM 1275 HG2 LYS A 81 35.551 46.593 55.767 1.00 0.00 H ATOM 1276 HG3 LYS A 81 37.026 47.001 54.860 1.00 0.00 H ATOM 1277 HD2 LYS A 81 35.603 48.860 53.785 1.00 0.00 H ATOM 1278 HD3 LYS A 81 34.464 48.564 55.120 1.00 0.00 H ATOM 1279 HE2 LYS A 81 37.359 49.419 55.357 1.00 0.00 H ATOM 1280 HE3 LYS A 81 36.297 49.019 56.727 1.00 0.00 H ATOM 1281 HZ1 LYS A 81 35.863 51.191 54.767 1.00 0.00 H ATOM 1282 HZ2 LYS A 81 34.849 50.809 56.076 1.00 0.00 H ATOM 1283 HZ3 LYS A 81 36.427 51.373 56.360 1.00 0.00 H ATOM 1284 H LYS A 81 34.311 44.571 55.378 1.00 0.00 H ATOM 1285 N SER A 82 32.514 45.400 51.841 1.00 19.26 N ATOM 1286 CA SER A 82 32.004 44.484 50.812 1.00 4.01 C ATOM 1287 C SER A 82 32.190 44.892 49.344 1.00 21.96 C ATOM 1288 O SER A 82 32.333 46.059 49.025 1.00 17.32 O ATOM 1289 CB SER A 82 30.515 44.190 51.044 1.00 15.21 C ATOM 1290 OG SER A 82 30.238 43.674 52.339 1.00 4.02 O ATOM 1291 HA SER A 82 32.635 43.605 50.944 1.00 0.00 H ATOM 1292 HB2 SER A 82 30.187 43.461 50.303 1.00 0.00 H ATOM 1293 HB3 SER A 82 29.955 45.116 50.913 1.00 0.00 H ATOM 1294 HG SER A 82 29.266 43.506 52.425 1.00 0.00 H ATOM 1295 H SER A 82 32.102 46.349 51.943 1.00 0.00 H ATOM 1296 N ILE A 83 32.129 43.891 48.438 1.00 3.39 N ATOM 1297 CA ILE A 83 32.138 44.060 46.985 1.00 15.96 C ATOM 1298 C ILE A 83 31.399 42.919 46.265 1.00 14.50 C ATOM 1299 O ILE A 83 31.634 41.748 46.546 1.00 11.30 O ATOM 1300 CB ILE A 83 33.478 44.366 46.312 1.00 18.97 C ATOM 1301 CG1 ILE A 83 33.211 44.433 44.808 1.00 65.12 C ATOM 1302 CG2 ILE A 83 34.489 43.260 46.591 1.00 35.06 C ATOM 1303 CD1 ILE A 83 34.291 45.133 43.990 1.00 24.45 C ATOM 1304 HA ILE A 83 31.586 44.992 46.864 1.00 0.00 H ATOM 1305 HB ILE A 83 33.888 45.301 46.695 1.00 0.00 H ATOM 1306 HG12 ILE A 83 33.113 43.413 44.436 1.00 0.00 H ATOM 1307 HG13 ILE A 83 32.272 44.966 44.655 1.00 0.00 H ATOM 1308 HD11 ILE A 83 34.396 46.162 44.334 1.00 0.00 H ATOM 1309 HD12 ILE A 83 35.238 44.608 44.116 1.00 0.00 H ATOM 1310 HD13 ILE A 83 34.008 45.128 42.937 1.00 0.00 H ATOM 1311 HG21 ILE A 83 34.646 43.176 47.666 1.00 0.00 H ATOM 1312 HG22 ILE A 83 34.108 42.315 46.203 1.00 0.00 H ATOM 1313 HG23 ILE A 83 35.433 43.501 46.102 1.00 0.00 H ATOM 1314 H ILE A 83 32.071 42.919 48.804 1.00 0.00 H ATOM 1315 N VAL A 84 30.499 43.254 45.338 1.00 9.99 N ATOM 1316 CA VAL A 84 29.742 42.268 44.554 1.00 13.23 C ATOM 1317 C VAL A 84 30.181 42.276 43.079 1.00 51.28 C ATOM 1318 O VAL A 84 30.352 43.351 42.515 1.00 8.20 O ATOM 1319 CB VAL A 84 28.233 42.503 44.636 1.00 14.71 C ATOM 1320 CG1 VAL A 84 27.509 41.336 43.971 1.00 9.98 C ATOM 1321 CG2 VAL A 84 27.760 42.669 46.076 1.00 1.99 C ATOM 1322 HA VAL A 84 29.961 41.293 44.990 1.00 0.00 H ATOM 1323 HB VAL A 84 28.001 43.432 44.114 1.00 0.00 H ATOM 1324 HG11 VAL A 84 27.814 41.268 42.927 1.00 0.00 H ATOM 1325 HG12 VAL A 84 27.765 40.410 44.486 1.00 0.00 H ATOM 1326 HG13 VAL A 84 26.433 41.499 44.027 1.00 0.00 H ATOM 1327 HG21 VAL A 84 27.997 41.767 46.641 1.00 0.00 H ATOM 1328 HG22 VAL A 84 28.264 43.524 46.526 1.00 0.00 H ATOM 1329 HG23 VAL A 84 26.683 42.834 46.086 1.00 0.00 H ATOM 1330 H VAL A 84 30.325 44.264 45.162 1.00 0.00 H ATOM 1331 N THR A 85 30.352 41.091 42.450 1.00 17.96 N ATOM 1332 CA THR A 85 30.803 40.992 41.042 1.00 16.81 C ATOM 1333 C THR A 85 30.089 39.887 40.192 1.00 41.80 C ATOM 1334 O THR A 85 29.394 39.022 40.744 1.00 18.00 O ATOM 1335 CB THR A 85 32.370 40.938 41.008 1.00 9.16 C ATOM 1336 OG1 THR A 85 32.917 41.478 39.823 1.00 28.54 O ATOM 1337 CG2 THR A 85 32.927 39.538 41.260 1.00 8.92 C ATOM 1338 HA THR A 85 30.482 41.896 40.524 1.00 0.00 H ATOM 1339 HB THR A 85 32.684 41.573 41.837 1.00 0.00 H ATOM 1340 HG1 THR A 85 32.582 40.968 39.044 1.00 0.00 H ATOM 1341 HG23 THR A 85 32.495 39.136 42.177 1.00 0.00 H ATOM 1342 HG21 THR A 85 32.671 38.890 40.422 1.00 0.00 H ATOM 1343 HG22 THR A 85 34.011 39.592 41.361 1.00 0.00 H ATOM 1344 H THR A 85 30.159 40.214 42.975 1.00 0.00 H ATOM 1345 N LEU A 86 30.210 39.936 38.835 1.00 18.54 N ATOM 1346 CA LEU A 86 29.642 38.904 37.944 1.00 9.64 C ATOM 1347 C LEU A 86 30.812 38.067 37.437 1.00 13.50 C ATOM 1348 O LEU A 86 31.710 38.591 36.791 1.00 11.77 O ATOM 1349 CB LEU A 86 28.748 39.409 36.775 1.00 9.09 C ATOM 1350 CG LEU A 86 27.243 39.351 37.046 1.00 36.64 C ATOM 1351 CD1 LEU A 86 26.524 40.379 36.184 1.00 85.03 C ATOM 1352 CD2 LEU A 86 26.669 37.961 36.761 1.00 8.85 C ATOM 1353 HA LEU A 86 28.934 38.322 38.534 1.00 0.00 H ATOM 1354 HB2 LEU A 86 29.015 40.445 36.566 1.00 0.00 H ATOM 1355 HB3 LEU A 86 28.959 38.797 35.898 1.00 0.00 H ATOM 1356 HG LEU A 86 27.088 39.572 38.102 1.00 0.00 H ATOM 1357 HD21 LEU A 86 26.840 37.706 35.715 1.00 0.00 H ATOM 1358 HD22 LEU A 86 27.162 37.228 37.400 1.00 0.00 H ATOM 1359 HD23 LEU A 86 25.598 37.962 36.966 1.00 0.00 H ATOM 1360 HD11 LEU A 86 26.896 41.375 36.423 1.00 0.00 H ATOM 1361 HD12 LEU A 86 26.710 40.163 35.132 1.00 0.00 H ATOM 1362 HD13 LEU A 86 25.453 40.332 36.382 1.00 0.00 H ATOM 1363 H LEU A 86 30.724 40.734 38.409 1.00 0.00 H ATOM 1364 N ASP A 87 30.852 36.784 37.807 1.00 20.31 N ATOM 1365 CA ASP A 87 31.954 35.902 37.437 1.00 13.34 C ATOM 1366 C ASP A 87 31.408 34.606 36.904 1.00 22.34 C ATOM 1367 O ASP A 87 30.781 33.837 37.638 1.00 21.15 O ATOM 1368 CB ASP A 87 32.856 35.640 38.668 1.00 8.72 C ATOM 1369 CG ASP A 87 34.150 34.872 38.441 1.00 26.39 C ATOM 1370 OD1 ASP A 87 34.373 34.553 37.200 1.00 16.70 O ATOM 1371 OD2 ASP A 87 34.914 34.581 39.341 1.00 18.51 O ATOM 1372 HA ASP A 87 32.553 36.379 36.661 1.00 0.00 H ATOM 1373 HB2 ASP A 87 33.121 36.609 39.091 1.00 0.00 H ATOM 1374 HB3 ASP A 87 32.266 35.078 39.392 1.00 0.00 H ATOM 1375 H ASP A 87 30.072 36.401 38.378 1.00 0.00 H ATOM 1376 N GLY A 88 31.627 34.404 35.617 1.00 21.24 N ATOM 1377 CA GLY A 88 31.151 33.239 34.914 1.00 23.84 C ATOM 1378 C GLY A 88 29.661 33.038 35.108 1.00 21.21 C ATOM 1379 O GLY A 88 29.229 31.943 35.411 1.00 18.45 O ATOM 1380 HA3 GLY A 88 31.678 32.361 35.287 1.00 0.00 H ATOM 1381 HA2 GLY A 88 31.356 33.359 33.850 1.00 0.00 H ATOM 1382 H GLY A 88 32.167 35.118 35.087 1.00 0.00 H ATOM 1383 N GLY A 89 28.868 34.100 34.983 1.00 3.21 N ATOM 1384 CA GLY A 89 27.429 33.971 35.149 1.00 7.52 C ATOM 1385 C GLY A 89 26.934 33.974 36.590 1.00 19.14 C ATOM 1386 O GLY A 89 25.730 33.962 36.854 1.00 17.99 O ATOM 1387 HA3 GLY A 89 27.120 33.032 34.689 1.00 0.00 H ATOM 1388 HA2 GLY A 89 26.954 34.803 34.628 1.00 0.00 H ATOM 1389 H GLY A 89 29.281 35.029 34.765 1.00 0.00 H ATOM 1390 N LYS A 90 27.845 33.972 37.543 1.00 12.14 N ATOM 1391 CA LYS A 90 27.396 33.973 38.908 1.00 15.23 C ATOM 1392 C LYS A 90 27.620 35.300 39.578 1.00 33.97 C ATOM 1393 O LYS A 90 28.521 36.048 39.211 1.00 25.81 O ATOM 1394 CB LYS A 90 28.000 32.847 39.739 1.00 18.23 C ATOM 1395 CG LYS A 90 27.995 31.500 39.014 1.00 0.00 C ATOM 1396 CD LYS A 90 28.902 30.461 39.677 1.00 0.00 C ATOM 1397 CE LYS A 90 29.357 29.363 38.713 1.00 0.00 C ATOM 1398 NZ LYS A 90 30.228 28.365 39.350 1.00 0.00 N ATOM 1399 HA LYS A 90 26.322 33.794 38.857 1.00 0.00 H ATOM 1400 HB2 LYS A 90 29.030 33.108 39.981 1.00 0.00 H ATOM 1401 HB3 LYS A 90 27.426 32.748 40.660 1.00 0.00 H ATOM 1402 HG2 LYS A 90 26.975 31.115 39.003 1.00 0.00 H ATOM 1403 HG3 LYS A 90 28.335 31.655 37.990 1.00 0.00 H ATOM 1404 HD2 LYS A 90 29.784 30.968 40.068 1.00 0.00 H ATOM 1405 HD3 LYS A 90 28.357 29.998 40.499 1.00 0.00 H ATOM 1406 HE2 LYS A 90 29.902 29.826 37.891 1.00 0.00 H ATOM 1407 HE3 LYS A 90 28.475 28.856 38.322 1.00 0.00 H ATOM 1408 HZ1 LYS A 90 31.079 28.835 39.719 1.00 0.00 H ATOM 1409 HZ2 LYS A 90 29.716 27.908 40.131 1.00 0.00 H ATOM 1410 HZ3 LYS A 90 30.503 27.648 38.648 1.00 0.00 H ATOM 1411 H LYS A 90 28.859 33.970 37.313 1.00 0.00 H ATOM 1412 N LEU A 91 26.801 35.527 40.603 1.00 7.86 N ATOM 1413 CA LEU A 91 26.801 36.714 41.425 1.00 28.80 C ATOM 1414 C LEU A 91 27.542 36.470 42.750 1.00 24.92 C ATOM 1415 O LEU A 91 26.998 35.966 43.739 1.00 13.20 O ATOM 1416 CB LEU A 91 25.345 37.184 41.605 1.00 9.65 C ATOM 1417 CG LEU A 91 25.168 38.624 42.044 1.00 26.78 C ATOM 1418 CD1 LEU A 91 25.084 39.531 40.826 1.00 23.41 C ATOM 1419 CD2 LEU A 91 23.871 38.736 42.834 1.00 46.31 C ATOM 1420 HA LEU A 91 27.352 37.518 40.938 1.00 0.00 H ATOM 1421 HB2 LEU A 91 24.832 37.059 40.651 1.00 0.00 H ATOM 1422 HB3 LEU A 91 24.877 36.545 42.354 1.00 0.00 H ATOM 1423 HG LEU A 91 26.017 38.925 42.658 1.00 0.00 H ATOM 1424 HD21 LEU A 91 23.035 38.435 42.202 1.00 0.00 H ATOM 1425 HD22 LEU A 91 23.921 38.085 43.707 1.00 0.00 H ATOM 1426 HD23 LEU A 91 23.731 39.768 43.156 1.00 0.00 H ATOM 1427 HD11 LEU A 91 26.002 39.442 40.245 1.00 0.00 H ATOM 1428 HD12 LEU A 91 24.233 39.235 40.212 1.00 0.00 H ATOM 1429 HD13 LEU A 91 24.957 40.563 41.152 1.00 0.00 H ATOM 1430 H LEU A 91 26.104 34.789 40.830 1.00 0.00 H ATOM 1431 N VAL A 92 28.813 36.859 42.726 1.00 17.11 N ATOM 1432 CA VAL A 92 29.770 36.713 43.807 1.00 4.04 C ATOM 1433 C VAL A 92 29.853 37.925 44.753 1.00 40.74 C ATOM 1434 O VAL A 92 30.253 39.005 44.321 1.00 15.88 O ATOM 1435 CB VAL A 92 31.129 36.434 43.165 1.00 20.90 C ATOM 1436 CG1 VAL A 92 32.246 36.581 44.182 1.00 23.22 C ATOM 1437 CG2 VAL A 92 31.160 35.046 42.526 1.00 16.17 C ATOM 1438 HA VAL A 92 29.441 35.894 44.446 1.00 0.00 H ATOM 1439 HB VAL A 92 31.285 37.171 42.377 1.00 0.00 H ATOM 1440 HG11 VAL A 92 32.245 37.597 44.576 1.00 0.00 H ATOM 1441 HG12 VAL A 92 32.090 35.874 44.996 1.00 0.00 H ATOM 1442 HG13 VAL A 92 33.203 36.378 43.701 1.00 0.00 H ATOM 1443 HG21 VAL A 92 30.973 34.291 43.290 1.00 0.00 H ATOM 1444 HG22 VAL A 92 30.391 34.984 41.756 1.00 0.00 H ATOM 1445 HG23 VAL A 92 32.139 34.876 42.077 1.00 0.00 H ATOM 1446 H VAL A 92 29.153 37.309 41.852 1.00 0.00 H ATOM 1447 N HIS A 93 29.510 37.720 46.054 1.00 17.55 N ATOM 1448 CA HIS A 93 29.529 38.727 47.143 1.00 15.95 C ATOM 1449 C HIS A 93 30.645 38.394 48.155 1.00 28.24 C ATOM 1450 O HIS A 93 30.548 37.376 48.844 1.00 8.87 O ATOM 1451 CB HIS A 93 28.121 38.784 47.837 1.00 1.91 C ATOM 1452 CG HIS A 93 27.806 39.836 48.886 1.00 2.51 C ATOM 1453 ND1 HIS A 93 28.752 40.720 49.406 1.00 25.07 N ATOM 1454 CD2 HIS A 93 26.621 40.074 49.528 1.00 2.15 C ATOM 1455 CE1 HIS A 93 28.122 41.474 50.314 1.00 13.15 C ATOM 1456 NE2 HIS A 93 26.848 41.104 50.417 1.00 16.57 N ATOM 1457 HA HIS A 93 29.742 39.711 46.726 1.00 0.00 H ATOM 1458 HB2 HIS A 93 27.388 38.912 47.040 1.00 0.00 H ATOM 1459 HB3 HIS A 93 27.972 37.816 48.315 1.00 0.00 H ATOM 1460 HD2 HIS A 93 25.679 39.550 49.368 1.00 0.00 H ATOM 1461 HE1 HIS A 93 28.586 42.277 50.887 1.00 0.00 H ATOM 1462 H HIS A 93 29.203 36.760 46.311 1.00 0.00 H ATOM 1463 N LEU A 94 31.719 39.233 48.212 1.00 8.91 N ATOM 1464 CA LEU A 94 32.879 39.066 49.111 1.00 9.74 C ATOM 1465 C LEU A 94 32.829 40.074 50.245 1.00 16.68 C ATOM 1466 O LEU A 94 32.686 41.258 50.003 1.00 17.82 O ATOM 1467 CB LEU A 94 34.237 39.138 48.334 1.00 11.22 C ATOM 1468 CG LEU A 94 35.573 39.064 49.131 1.00 54.62 C ATOM 1469 CD1 LEU A 94 35.701 37.812 49.983 1.00 13.84 C ATOM 1470 CD2 LEU A 94 36.775 39.083 48.185 1.00 9.12 C ATOM 1471 HA LEU A 94 32.820 38.068 49.545 1.00 0.00 H ATOM 1472 HB2 LEU A 94 34.243 38.310 47.625 1.00 0.00 H ATOM 1473 HB3 LEU A 94 34.243 40.082 47.789 1.00 0.00 H ATOM 1474 HG LEU A 94 35.559 39.938 49.782 1.00 0.00 H ATOM 1475 HD21 LEU A 94 36.720 38.227 47.512 1.00 0.00 H ATOM 1476 HD22 LEU A 94 36.764 40.005 47.604 1.00 0.00 H ATOM 1477 HD23 LEU A 94 37.695 39.030 48.767 1.00 0.00 H ATOM 1478 HD11 LEU A 94 34.886 37.781 50.706 1.00 0.00 H ATOM 1479 HD12 LEU A 94 35.653 36.932 49.342 1.00 0.00 H ATOM 1480 HD13 LEU A 94 36.655 37.828 50.509 1.00 0.00 H ATOM 1481 H LEU A 94 31.721 40.054 47.573 1.00 0.00 H ATOM 1482 N GLN A 95 32.918 39.572 51.485 1.00 20.43 N ATOM 1483 CA GLN A 95 32.917 40.377 52.695 1.00 19.87 C ATOM 1484 C GLN A 95 34.238 40.172 53.443 1.00 17.10 C ATOM 1485 O GLN A 95 34.674 39.028 53.614 1.00 16.63 O ATOM 1486 CB GLN A 95 31.731 40.006 53.630 1.00 20.67 C ATOM 1487 CG GLN A 95 30.296 40.214 53.073 1.00 2.58 C ATOM 1488 CD GLN A 95 29.242 39.789 54.098 1.00 24.69 C ATOM 1489 OE1 GLN A 95 29.578 39.157 55.109 1.00 23.83 O ATOM 1490 NE2 GLN A 95 27.965 40.123 53.867 1.00 5.16 N ATOM 1491 HA GLN A 95 32.804 41.422 52.405 1.00 0.00 H ATOM 1492 HB2 GLN A 95 31.833 38.952 53.888 1.00 0.00 H ATOM 1493 HB3 GLN A 95 31.823 40.610 54.533 1.00 0.00 H ATOM 1494 HG2 GLN A 95 30.156 41.268 52.833 1.00 0.00 H ATOM 1495 HG3 GLN A 95 30.175 39.618 52.169 1.00 0.00 H ATOM 1496 HE22 GLN A 95 27.713 40.654 53.009 1.00 0.00 H ATOM 1497 HE21 GLN A 95 27.225 39.851 54.546 1.00 0.00 H ATOM 1498 H GLN A 95 32.993 38.540 51.588 1.00 0.00 H ATOM 1499 N LYS A 96 34.877 41.273 53.884 1.00 16.77 N ATOM 1500 CA LYS A 96 36.159 41.222 54.619 1.00 2.80 C ATOM 1501 C LYS A 96 36.086 41.929 55.957 1.00 15.92 C ATOM 1502 O LYS A 96 35.499 43.001 56.060 1.00 20.58 O ATOM 1503 CB LYS A 96 37.313 41.839 53.840 1.00 9.58 C ATOM 1504 CG LYS A 96 37.880 40.989 52.710 1.00 14.77 C ATOM 1505 CD LYS A 96 38.366 41.814 51.525 1.00 21.25 C ATOM 1506 CE LYS A 96 37.370 41.847 50.364 1.00100.00 C ATOM 1507 NZ LYS A 96 36.124 42.602 50.619 1.00 27.96 N ATOM 1508 HA LYS A 96 36.344 40.158 54.766 1.00 0.00 H ATOM 1509 HB2 LYS A 96 36.963 42.777 53.410 1.00 0.00 H ATOM 1510 HB3 LYS A 96 38.121 42.043 54.543 1.00 0.00 H ATOM 1511 HG2 LYS A 96 38.719 40.411 53.098 1.00 0.00 H ATOM 1512 HG3 LYS A 96 37.102 40.309 52.363 1.00 0.00 H ATOM 1513 HD2 LYS A 96 38.540 42.836 51.862 1.00 0.00 H ATOM 1514 HD3 LYS A 96 39.303 41.387 51.166 1.00 0.00 H ATOM 1515 HE2 LYS A 96 37.098 40.819 50.125 1.00 0.00 H ATOM 1516 HE3 LYS A 96 37.868 42.299 49.506 1.00 0.00 H ATOM 1517 HZ1 LYS A 96 35.623 42.179 51.426 1.00 0.00 H ATOM 1518 HZ2 LYS A 96 36.358 43.592 50.835 1.00 0.00 H ATOM 1519 HZ3 LYS A 96 35.518 42.564 49.774 1.00 0.00 H ATOM 1520 H LYS A 96 34.449 42.202 53.699 1.00 0.00 H ATOM 1521 N TRP A 97 36.706 41.343 56.989 1.00 22.61 N ATOM 1522 CA TRP A 97 36.744 41.953 58.325 1.00 30.18 C ATOM 1523 C TRP A 97 37.742 41.283 59.259 1.00 22.42 C ATOM 1524 O TRP A 97 37.807 40.062 59.373 1.00 17.36 O ATOM 1525 CB TRP A 97 35.376 42.100 59.023 1.00 9.62 C ATOM 1526 CG TRP A 97 34.948 40.818 59.678 1.00 31.55 C ATOM 1527 CD1 TRP A 97 34.923 40.567 61.010 1.00 23.33 C ATOM 1528 CD2 TRP A 97 34.541 39.597 59.038 1.00 11.88 C ATOM 1529 NE1 TRP A 97 34.509 39.286 61.252 1.00 15.89 N ATOM 1530 CE2 TRP A 97 34.251 38.665 60.059 1.00 15.59 C ATOM 1531 CE3 TRP A 97 34.356 39.218 57.703 1.00 25.89 C ATOM 1532 CZ2 TRP A 97 33.815 37.372 59.778 1.00 12.79 C ATOM 1533 CZ3 TRP A 97 33.894 37.947 57.420 1.00 7.69 C ATOM 1534 CH2 TRP A 97 33.627 37.038 58.448 1.00 10.64 C ATOM 1535 HA TRP A 97 37.087 42.966 58.116 1.00 0.00 H ATOM 1536 HB2 TRP A 97 35.448 42.879 59.782 1.00 0.00 H ATOM 1537 HB3 TRP A 97 34.629 42.385 58.282 1.00 0.00 H ATOM 1538 HE1 TRP A 97 34.407 38.853 62.192 1.00 0.00 H ATOM 1539 HD1 TRP A 97 35.195 41.287 61.782 1.00 0.00 H ATOM 1540 HZ2 TRP A 97 33.629 36.651 60.574 1.00 0.00 H ATOM 1541 HH2 TRP A 97 33.262 36.042 58.196 1.00 0.00 H ATOM 1542 HZ3 TRP A 97 33.736 37.650 56.383 1.00 0.00 H ATOM 1543 HE3 TRP A 97 34.574 39.918 56.896 1.00 0.00 H ATOM 1544 H TRP A 97 37.176 40.427 56.840 1.00 0.00 H ATOM 1545 N ASP A 98 38.512 42.106 59.960 1.00 34.16 N ATOM 1546 CA ASP A 98 39.481 41.599 60.906 1.00 28.23 C ATOM 1547 C ASP A 98 40.398 40.571 60.314 1.00 24.64 C ATOM 1548 O ASP A 98 40.788 39.603 60.950 1.00 43.42 O ATOM 1549 CB ASP A 98 38.811 41.059 62.165 1.00 21.13 C ATOM 1550 CG ASP A 98 38.268 42.198 62.967 1.00 80.39 C ATOM 1551 OD1 ASP A 98 38.958 43.146 63.283 1.00 65.13 O ATOM 1552 OD2 ASP A 98 36.987 42.077 63.252 1.00 44.15 O ATOM 1553 HA ASP A 98 40.098 42.453 61.183 1.00 0.00 H ATOM 1554 HB2 ASP A 98 37.997 40.390 61.886 1.00 0.00 H ATOM 1555 HB3 ASP A 98 39.542 40.511 62.760 1.00 0.00 H ATOM 1556 H ASP A 98 38.417 43.133 59.827 1.00 0.00 H ATOM 1557 N GLY A 99 40.754 40.809 59.080 1.00 25.19 N ATOM 1558 CA GLY A 99 41.657 39.927 58.414 1.00 12.44 C ATOM 1559 C GLY A 99 41.040 38.613 57.998 1.00 19.34 C ATOM 1560 O GLY A 99 41.761 37.695 57.612 1.00 31.57 O ATOM 1561 HA3 GLY A 99 42.489 39.717 59.086 1.00 0.00 H ATOM 1562 HA2 GLY A 99 42.030 40.429 57.521 1.00 0.00 H ATOM 1563 H GLY A 99 40.379 41.642 58.582 1.00 0.00 H ATOM 1564 N GLN A 100 39.719 38.502 58.070 1.00 30.43 N ATOM 1565 CA GLN A 100 39.114 37.264 57.633 1.00 18.37 C ATOM 1566 C GLN A 100 38.080 37.458 56.565 1.00 45.77 C ATOM 1567 O GLN A 100 37.709 38.596 56.308 1.00 15.16 O ATOM 1568 CB GLN A 100 38.730 36.273 58.716 1.00 27.22 C ATOM 1569 CG GLN A 100 37.466 36.601 59.497 1.00 30.73 C ATOM 1570 CD GLN A 100 37.502 35.740 60.727 1.00 19.06 C ATOM 1571 OE1 GLN A 100 37.970 36.179 61.778 1.00 58.89 O ATOM 1572 NE2 GLN A 100 37.059 34.490 60.579 1.00 58.02 N ATOM 1573 HA GLN A 100 39.941 36.739 57.154 1.00 0.00 H ATOM 1574 HB2 GLN A 100 38.589 35.300 58.245 1.00 0.00 H ATOM 1575 HB3 GLN A 100 39.556 36.216 59.425 1.00 0.00 H ATOM 1576 HG2 GLN A 100 37.454 37.655 59.773 1.00 0.00 H ATOM 1577 HG3 GLN A 100 36.582 36.373 58.901 1.00 0.00 H ATOM 1578 HE22 GLN A 100 36.674 34.180 59.664 1.00 0.00 H ATOM 1579 HE21 GLN A 100 37.098 33.826 61.379 1.00 0.00 H ATOM 1580 H GLN A 100 39.136 39.284 58.431 1.00 0.00 H ATOM 1581 N GLU A 101 37.648 36.363 55.929 1.00 15.41 N ATOM 1582 CA GLU A 101 36.678 36.472 54.844 1.00 20.76 C ATOM 1583 C GLU A 101 35.589 35.400 54.779 1.00 13.58 C ATOM 1584 O GLU A 101 35.738 34.304 55.320 1.00 13.40 O ATOM 1585 CB GLU A 101 37.368 36.661 53.467 1.00 23.27 C ATOM 1586 CG GLU A 101 38.308 35.519 53.005 1.00 45.53 C ATOM 1587 CD GLU A 101 39.138 35.867 51.777 1.00 23.87 C ATOM 1588 OE1 GLU A 101 39.962 36.765 51.752 1.00 48.13 O ATOM 1589 OE2 GLU A 101 38.893 35.097 50.739 1.00 66.59 O ATOM 1590 HA GLU A 101 36.128 37.377 55.102 1.00 0.00 H ATOM 1591 HB2 GLU A 101 36.586 36.771 52.716 1.00 0.00 H ATOM 1592 HB3 GLU A 101 37.957 37.577 53.514 1.00 0.00 H ATOM 1593 HG2 GLU A 101 38.987 35.280 53.823 1.00 0.00 H ATOM 1594 HG3 GLU A 101 37.699 34.645 52.773 1.00 0.00 H ATOM 1595 H GLU A 101 38.006 35.428 56.210 1.00 0.00 H ATOM 1596 N THR A 102 34.487 35.772 54.107 1.00 15.02 N ATOM 1597 CA THR A 102 33.305 34.929 53.877 1.00 7.41 C ATOM 1598 C THR A 102 32.780 35.254 52.477 1.00 26.72 C ATOM 1599 O THR A 102 32.845 36.400 52.001 1.00 15.33 O ATOM 1600 CB THR A 102 32.169 34.918 54.981 1.00 4.31 C ATOM 1601 OG1 THR A 102 31.302 33.818 54.852 1.00 19.45 O ATOM 1602 CG2 THR A 102 31.341 36.166 54.947 1.00 6.07 C ATOM 1603 HA THR A 102 33.644 33.896 53.959 1.00 0.00 H ATOM 1604 HB THR A 102 32.698 34.850 55.931 1.00 0.00 H ATOM 1605 HG1 THR A 102 30.613 33.857 55.562 1.00 0.00 H ATOM 1606 HG23 THR A 102 31.992 37.035 55.045 1.00 0.00 H ATOM 1607 HG21 THR A 102 30.804 36.218 54.000 1.00 0.00 H ATOM 1608 HG22 THR A 102 30.627 36.150 55.771 1.00 0.00 H ATOM 1609 H THR A 102 34.469 36.736 53.717 1.00 0.00 H ATOM 1610 N THR A 103 32.320 34.217 51.787 1.00 15.65 N ATOM 1611 CA THR A 103 31.770 34.387 50.470 1.00 7.27 C ATOM 1612 C THR A 103 30.323 33.941 50.434 1.00 13.88 C ATOM 1613 O THR A 103 29.961 33.003 51.129 1.00 14.54 O ATOM 1614 CB THR A 103 32.595 33.697 49.365 1.00 19.20 C ATOM 1615 OG1 THR A 103 33.815 34.385 49.135 1.00 21.75 O ATOM 1616 CG2 THR A 103 31.764 33.738 48.098 1.00 28.34 C ATOM 1617 HA THR A 103 31.817 35.454 50.252 1.00 0.00 H ATOM 1618 HB THR A 103 32.833 32.676 49.664 1.00 0.00 H ATOM 1619 HG1 THR A 103 34.324 33.923 48.423 1.00 0.00 H ATOM 1620 HG23 THR A 103 30.824 33.212 48.264 1.00 0.00 H ATOM 1621 HG21 THR A 103 31.559 34.775 47.833 1.00 0.00 H ATOM 1622 HG22 THR A 103 32.313 33.256 47.289 1.00 0.00 H ATOM 1623 H THR A 103 32.358 33.266 52.206 1.00 0.00 H ATOM 1624 N LEU A 104 29.510 34.643 49.625 1.00 5.85 N ATOM 1625 CA LEU A 104 28.103 34.351 49.369 1.00 6.75 C ATOM 1626 C LEU A 104 27.892 34.282 47.854 1.00 15.32 C ATOM 1627 O LEU A 104 27.984 35.313 47.186 1.00 31.77 O ATOM 1628 CB LEU A 104 27.163 35.413 49.970 1.00 4.12 C ATOM 1629 CG LEU A 104 27.342 35.618 51.474 1.00 24.29 C ATOM 1630 CD1 LEU A 104 28.240 36.822 51.728 1.00 18.91 C ATOM 1631 CD2 LEU A 104 25.991 35.835 52.150 1.00 27.01 C ATOM 1632 HA LEU A 104 27.860 33.401 49.846 1.00 0.00 H ATOM 1633 HB2 LEU A 104 27.352 36.362 49.469 1.00 0.00 H ATOM 1634 HB3 LEU A 104 26.134 35.105 49.785 1.00 0.00 H ATOM 1635 HG LEU A 104 27.804 34.724 51.893 1.00 0.00 H ATOM 1636 HD21 LEU A 104 25.512 36.718 51.727 1.00 0.00 H ATOM 1637 HD22 LEU A 104 25.359 34.963 51.984 1.00 0.00 H ATOM 1638 HD23 LEU A 104 26.141 35.979 53.220 1.00 0.00 H ATOM 1639 HD11 LEU A 104 29.214 36.651 51.269 1.00 0.00 H ATOM 1640 HD12 LEU A 104 27.784 37.712 51.294 1.00 0.00 H ATOM 1641 HD13 LEU A 104 28.363 36.962 52.802 1.00 0.00 H ATOM 1642 H LEU A 104 29.920 35.466 49.139 1.00 0.00 H ATOM 1643 N VAL A 105 27.681 33.078 47.287 1.00 24.35 N ATOM 1644 CA VAL A 105 27.487 32.947 45.833 1.00 8.77 C ATOM 1645 C VAL A 105 26.092 32.530 45.333 1.00 15.17 C ATOM 1646 O VAL A 105 25.510 31.567 45.818 1.00 14.54 O ATOM 1647 CB VAL A 105 28.701 32.493 45.001 1.00 32.13 C ATOM 1648 CG1 VAL A 105 29.698 31.673 45.795 1.00 17.36 C ATOM 1649 CG2 VAL A 105 28.309 31.760 43.722 1.00 38.06 C ATOM 1650 HA VAL A 105 27.456 34.002 45.562 1.00 0.00 H ATOM 1651 HB VAL A 105 29.195 33.421 44.713 1.00 0.00 H ATOM 1652 HG11 VAL A 105 30.073 32.267 46.628 1.00 0.00 H ATOM 1653 HG12 VAL A 105 29.208 30.778 46.177 1.00 0.00 H ATOM 1654 HG13 VAL A 105 30.527 31.386 45.149 1.00 0.00 H ATOM 1655 HG21 VAL A 105 27.731 30.871 43.977 1.00 0.00 H ATOM 1656 HG22 VAL A 105 27.707 32.419 43.097 1.00 0.00 H ATOM 1657 HG23 VAL A 105 29.209 31.467 43.182 1.00 0.00 H ATOM 1658 H VAL A 105 27.655 32.228 47.886 1.00 0.00 H ATOM 1659 N ARG A 106 25.512 33.303 44.397 1.00 6.17 N ATOM 1660 CA ARG A 106 24.162 33.021 43.854 1.00 1.00 C ATOM 1661 C ARG A 106 24.251 32.534 42.389 1.00 24.10 C ATOM 1662 O ARG A 106 24.905 33.200 41.575 1.00 21.85 O ATOM 1663 CB ARG A 106 23.175 34.217 44.033 1.00 1.00 C ATOM 1664 CG ARG A 106 22.517 34.309 45.434 1.00 14.47 C ATOM 1665 CD ARG A 106 21.618 35.527 45.807 1.00 6.46 C ATOM 1666 NE ARG A 106 22.320 36.261 46.862 1.00 22.54 N ATOM 1667 CZ ARG A 106 21.975 36.898 47.994 1.00 12.87 C ATOM 1668 NH1 ARG A 106 20.747 37.141 48.460 1.00 27.00 N ATOM 1669 NH2 ARG A 106 22.993 37.355 48.699 1.00 27.91 N ATOM 1670 HA ARG A 106 23.737 32.209 44.444 1.00 0.00 H ATOM 1671 HB2 ARG A 106 23.725 35.141 43.854 1.00 0.00 H ATOM 1672 HB3 ARG A 106 22.383 34.118 43.291 1.00 0.00 H ATOM 1673 HG2 ARG A 106 21.900 33.418 45.549 1.00 0.00 H ATOM 1674 HG3 ARG A 106 23.328 34.284 46.162 1.00 0.00 H ATOM 1675 HD2 ARG A 106 20.649 35.182 46.169 1.00 0.00 H ATOM 1676 HD3 ARG A 106 21.472 36.167 44.937 1.00 0.00 H ATOM 1677 HE ARG A 106 23.345 36.299 46.692 1.00 0.00 H ATOM 1678 HH12 ARG A 106 20.623 37.649 49.359 1.00 0.00 H ATOM 1679 HH11 ARG A 106 19.915 36.822 47.924 1.00 0.00 H ATOM 1680 HH22 ARG A 106 22.822 37.862 49.591 1.00 0.00 H ATOM 1681 HH21 ARG A 106 23.966 37.208 48.363 1.00 0.00 H ATOM 1682 H ARG A 106 26.031 34.131 44.041 1.00 0.00 H ATOM 1683 N GLU A 107 23.639 31.342 42.102 1.00 15.36 N ATOM 1684 CA GLU A 107 23.542 30.679 40.777 1.00 6.38 C ATOM 1685 C GLU A 107 22.124 30.272 40.305 1.00 19.57 C ATOM 1686 O GLU A 107 21.255 29.819 41.051 1.00 13.26 O ATOM 1687 CB GLU A 107 24.655 29.681 40.300 1.00 10.68 C ATOM 1688 CG GLU A 107 25.176 28.560 41.245 1.00100.00 C ATOM 1689 CD GLU A 107 26.299 27.741 40.608 1.00 99.33 C ATOM 1690 OE1 GLU A 107 26.152 27.037 39.630 1.00 35.10 O ATOM 1691 OE2 GLU A 107 27.461 27.866 41.207 1.00 70.13 O ATOM 1692 HA GLU A 107 23.820 31.572 40.217 1.00 0.00 H ATOM 1693 HB2 GLU A 107 24.267 29.184 39.411 1.00 0.00 H ATOM 1694 HB3 GLU A 107 25.520 30.286 40.028 1.00 0.00 H ATOM 1695 HG2 GLU A 107 25.551 29.018 42.160 1.00 0.00 H ATOM 1696 HG3 GLU A 107 24.349 27.893 41.487 1.00 0.00 H ATOM 1697 H GLU A 107 23.193 30.847 42.901 1.00 0.00 H ATOM 1698 N LEU A 108 21.867 30.444 39.023 1.00 11.54 N ATOM 1699 CA LEU A 108 20.576 30.063 38.500 1.00 18.36 C ATOM 1700 C LEU A 108 20.717 28.687 37.931 1.00 17.30 C ATOM 1701 O LEU A 108 21.493 28.518 37.004 1.00 19.63 O ATOM 1702 CB LEU A 108 20.157 30.973 37.355 1.00 16.35 C ATOM 1703 CG LEU A 108 19.039 31.929 37.708 1.00 38.25 C ATOM 1704 CD1 LEU A 108 18.906 32.017 39.210 1.00 19.81 C ATOM 1705 CD2 LEU A 108 19.392 33.288 37.127 1.00 29.31 C ATOM 1706 HA LEU A 108 19.837 30.123 39.299 1.00 0.00 H ATOM 1707 HB2 LEU A 108 21.024 31.557 37.046 1.00 0.00 H ATOM 1708 HB3 LEU A 108 19.826 30.350 36.524 1.00 0.00 H ATOM 1709 HG LEU A 108 18.089 31.584 37.301 1.00 0.00 H ATOM 1710 HD21 LEU A 108 20.334 33.631 37.555 1.00 0.00 H ATOM 1711 HD22 LEU A 108 19.492 33.204 36.045 1.00 0.00 H ATOM 1712 HD23 LEU A 108 18.602 34.000 37.366 1.00 0.00 H ATOM 1713 HD11 LEU A 108 18.680 31.029 39.612 1.00 0.00 H ATOM 1714 HD12 LEU A 108 19.842 32.379 39.636 1.00 0.00 H ATOM 1715 HD13 LEU A 108 18.100 32.706 39.462 1.00 0.00 H ATOM 1716 H LEU A 108 22.588 30.851 38.394 1.00 0.00 H ATOM 1717 N ILE A 109 20.028 27.715 38.504 1.00 17.21 N ATOM 1718 CA ILE A 109 20.145 26.363 38.026 1.00 23.65 C ATOM 1719 C ILE A 109 18.817 25.717 37.992 1.00 48.04 C ATOM 1720 O ILE A 109 18.150 25.503 39.011 1.00 18.85 O ATOM 1721 CB ILE A 109 21.163 25.488 38.730 1.00 17.77 C ATOM 1722 CG1 ILE A 109 20.681 24.509 39.780 1.00 80.46 C ATOM 1723 CG2 ILE A 109 22.626 25.907 38.709 1.00 22.29 C ATOM 1724 CD1 ILE A 109 20.487 23.127 39.166 1.00 37.83 C ATOM 1725 HA ILE A 109 20.547 26.461 37.018 1.00 0.00 H ATOM 1726 HB ILE A 109 21.267 24.737 37.947 1.00 0.00 H ATOM 1727 HG12 ILE A 109 21.419 24.447 40.580 1.00 0.00 H ATOM 1728 HG13 ILE A 109 19.733 24.858 40.189 1.00 0.00 H ATOM 1729 HD11 ILE A 109 19.747 23.186 38.368 1.00 0.00 H ATOM 1730 HD12 ILE A 109 21.435 22.775 38.759 1.00 0.00 H ATOM 1731 HD13 ILE A 109 20.140 22.435 39.934 1.00 0.00 H ATOM 1732 HG21 ILE A 109 22.973 25.960 37.677 1.00 0.00 H ATOM 1733 HG22 ILE A 109 22.729 26.885 39.179 1.00 0.00 H ATOM 1734 HG23 ILE A 109 23.220 25.175 39.256 1.00 0.00 H ATOM 1735 H ILE A 109 19.399 27.929 39.304 1.00 0.00 H ATOM 1736 N ASP A 110 18.459 25.439 36.750 1.00 11.28 N ATOM 1737 CA ASP A 110 17.166 24.899 36.369 1.00 40.27 C ATOM 1738 C ASP A 110 16.027 25.431 37.185 1.00 38.88 C ATOM 1739 O ASP A 110 15.714 24.864 38.230 1.00 89.91 O ATOM 1740 CB ASP A 110 17.048 23.434 35.934 1.00100.00 C ATOM 1741 CG ASP A 110 16.736 22.382 36.994 1.00100.00 C ATOM 1742 OD1 ASP A 110 15.684 22.647 37.748 1.00100.00 O ATOM 1743 OD2 ASP A 110 17.390 21.344 37.126 1.00100.00 O ATOM 1744 HA ASP A 110 17.064 25.334 35.375 1.00 0.00 H ATOM 1745 HB2 ASP A 110 16.256 23.383 35.187 1.00 0.00 H ATOM 1746 HB3 ASP A 110 17.997 23.157 35.475 1.00 0.00 H ATOM 1747 H ASP A 110 19.151 25.619 35.994 1.00 0.00 H ATOM 1748 N GLY A 111 15.738 26.668 36.874 1.00 40.25 N ATOM 1749 CA GLY A 111 14.631 27.483 37.261 1.00 21.83 C ATOM 1750 C GLY A 111 14.803 28.065 38.599 1.00100.00 C ATOM 1751 O GLY A 111 14.040 28.943 38.973 1.00 33.90 O ATOM 1752 HA3 GLY A 111 13.728 26.872 37.258 1.00 0.00 H ATOM 1753 HA2 GLY A 111 14.522 28.292 36.539 1.00 0.00 H ATOM 1754 H GLY A 111 16.424 27.132 36.245 1.00 0.00 H ATOM 1755 N LYS A 112 15.831 27.600 39.259 1.00 14.80 N ATOM 1756 CA LYS A 112 16.077 27.962 40.620 1.00 27.91 C ATOM 1757 C LYS A 112 17.340 28.713 41.020 1.00 8.18 C ATOM 1758 O LYS A 112 18.434 28.546 40.482 1.00 40.38 O ATOM 1759 CB LYS A 112 15.922 26.761 41.529 1.00 14.13 C ATOM 1760 CG LYS A 112 14.612 26.020 41.345 1.00 26.51 C ATOM 1761 CD LYS A 112 14.765 24.529 41.598 1.00 64.51 C ATOM 1762 CE LYS A 112 13.441 23.806 41.789 1.00 68.02 C ATOM 1763 NZ LYS A 112 12.930 23.212 40.544 1.00 95.51 N ATOM 1764 HA LYS A 112 15.310 28.727 40.743 1.00 0.00 H ATOM 1765 HB2 LYS A 112 16.740 26.069 41.328 1.00 0.00 H ATOM 1766 HB3 LYS A 112 15.982 27.102 42.563 1.00 0.00 H ATOM 1767 HG2 LYS A 112 13.878 26.423 42.043 1.00 0.00 H ATOM 1768 HG3 LYS A 112 14.262 26.171 40.324 1.00 0.00 H ATOM 1769 HD2 LYS A 112 15.281 24.086 40.746 1.00 0.00 H ATOM 1770 HD3 LYS A 112 15.366 24.391 42.497 1.00 0.00 H ATOM 1771 HE2 LYS A 112 12.706 24.519 42.162 1.00 0.00 H ATOM 1772 HE3 LYS A 112 13.580 23.012 42.522 1.00 0.00 H ATOM 1773 HZ1 LYS A 112 12.784 23.962 39.838 1.00 0.00 H ATOM 1774 HZ2 LYS A 112 13.619 22.523 40.182 1.00 0.00 H ATOM 1775 HZ3 LYS A 112 12.027 22.733 40.735 1.00 0.00 H ATOM 1776 H LYS A 112 16.487 26.950 38.782 1.00 0.00 H ATOM 1777 N LEU A 113 17.162 29.459 42.113 1.00 15.55 N ATOM 1778 CA LEU A 113 18.203 30.262 42.735 1.00 9.82 C ATOM 1779 C LEU A 113 18.904 29.492 43.836 1.00 15.55 C ATOM 1780 O LEU A 113 18.285 29.110 44.828 1.00 19.29 O ATOM 1781 CB LEU A 113 17.645 31.586 43.294 1.00 8.35 C ATOM 1782 CG LEU A 113 18.691 32.698 43.368 1.00 5.74 C ATOM 1783 CD1 LEU A 113 19.065 33.116 41.967 1.00 31.19 C ATOM 1784 CD2 LEU A 113 18.113 33.914 44.069 1.00 13.22 C ATOM 1785 HA LEU A 113 18.927 30.499 41.956 1.00 0.00 H ATOM 1786 HB2 LEU A 113 16.831 31.918 42.650 1.00 0.00 H ATOM 1787 HB3 LEU A 113 17.261 31.404 44.298 1.00 0.00 H ATOM 1788 HG LEU A 113 19.558 32.326 43.914 1.00 0.00 H ATOM 1789 HD21 LEU A 113 17.247 34.274 43.514 1.00 0.00 H ATOM 1790 HD22 LEU A 113 17.810 33.640 45.080 1.00 0.00 H ATOM 1791 HD23 LEU A 113 18.868 34.699 44.115 1.00 0.00 H ATOM 1792 HD11 LEU A 113 19.475 32.260 41.431 1.00 0.00 H ATOM 1793 HD12 LEU A 113 18.178 33.479 41.449 1.00 0.00 H ATOM 1794 HD13 LEU A 113 19.811 33.909 42.013 1.00 0.00 H ATOM 1795 H LEU A 113 16.217 29.466 42.548 1.00 0.00 H ATOM 1796 N ILE A 114 20.209 29.317 43.671 1.00 10.69 N ATOM 1797 CA ILE A 114 21.002 28.583 44.631 1.00 14.76 C ATOM 1798 C ILE A 114 22.090 29.393 45.331 1.00 11.01 C ATOM 1799 O ILE A 114 22.978 29.948 44.705 1.00 23.20 O ATOM 1800 CB ILE A 114 21.423 27.292 43.978 1.00 9.07 C ATOM 1801 CG1 ILE A 114 20.123 26.495 43.895 1.00 30.24 C ATOM 1802 CG2 ILE A 114 22.477 26.559 44.789 1.00 17.30 C ATOM 1803 CD1 ILE A 114 20.241 25.135 43.237 1.00 63.12 C ATOM 1804 HA ILE A 114 20.397 28.335 45.503 1.00 0.00 H ATOM 1805 HB ILE A 114 21.888 27.450 43.005 1.00 0.00 H ATOM 1806 HG12 ILE A 114 19.752 26.348 44.909 1.00 0.00 H ATOM 1807 HG13 ILE A 114 19.402 27.083 43.327 1.00 0.00 H ATOM 1808 HD11 ILE A 114 20.597 25.257 42.214 1.00 0.00 H ATOM 1809 HD12 ILE A 114 20.947 24.522 43.797 1.00 0.00 H ATOM 1810 HD13 ILE A 114 19.264 24.651 43.228 1.00 0.00 H ATOM 1811 HG21 ILE A 114 23.359 27.191 44.892 1.00 0.00 H ATOM 1812 HG22 ILE A 114 22.077 26.326 45.776 1.00 0.00 H ATOM 1813 HG23 ILE A 114 22.749 25.635 44.279 1.00 0.00 H ATOM 1814 H ILE A 114 20.672 29.718 42.831 1.00 0.00 H ATOM 1815 N LEU A 115 21.992 29.477 46.653 1.00 12.41 N ATOM 1816 CA LEU A 115 22.918 30.261 47.470 1.00 12.15 C ATOM 1817 C LEU A 115 23.851 29.393 48.295 1.00 11.54 C ATOM 1818 O LEU A 115 23.398 28.526 49.036 1.00 17.49 O ATOM 1819 CB LEU A 115 22.094 31.170 48.410 1.00 10.16 C ATOM 1820 CG LEU A 115 22.861 32.096 49.351 1.00 29.88 C ATOM 1821 CD1 LEU A 115 23.702 33.106 48.573 1.00 19.65 C ATOM 1822 CD2 LEU A 115 21.833 32.851 50.187 1.00 27.97 C ATOM 1823 HA LEU A 115 23.543 30.850 46.798 1.00 0.00 H ATOM 1824 HB2 LEU A 115 21.458 31.795 47.784 1.00 0.00 H ATOM 1825 HB3 LEU A 115 21.471 30.522 49.026 1.00 0.00 H ATOM 1826 HG LEU A 115 23.534 31.505 49.972 1.00 0.00 H ATOM 1827 HD21 LEU A 115 21.184 33.428 49.528 1.00 0.00 H ATOM 1828 HD22 LEU A 115 21.235 32.139 50.755 1.00 0.00 H ATOM 1829 HD23 LEU A 115 22.348 33.524 50.873 1.00 0.00 H ATOM 1830 HD11 LEU A 115 24.420 32.575 47.948 1.00 0.00 H ATOM 1831 HD12 LEU A 115 23.050 33.712 47.945 1.00 0.00 H ATOM 1832 HD13 LEU A 115 24.235 33.749 49.273 1.00 0.00 H ATOM 1833 H LEU A 115 21.223 28.963 47.128 1.00 0.00 H ATOM 1834 N THR A 116 25.154 29.614 48.144 1.00 19.84 N ATOM 1835 CA THR A 116 26.138 28.872 48.913 1.00 9.92 C ATOM 1836 C THR A 116 27.065 29.802 49.701 1.00 28.55 C ATOM 1837 O THR A 116 27.682 30.738 49.154 1.00 6.45 O ATOM 1838 CB THR A 116 26.826 27.687 48.176 1.00 14.27 C ATOM 1839 OG1 THR A 116 28.211 27.902 48.007 1.00 33.31 O ATOM 1840 CG2 THR A 116 26.178 27.393 46.825 1.00 4.73 C ATOM 1841 HA THR A 116 25.569 28.324 49.664 1.00 0.00 H ATOM 1842 HB THR A 116 26.688 26.816 48.817 1.00 0.00 H ATOM 1843 HG1 THR A 116 28.609 27.128 47.536 1.00 0.00 H ATOM 1844 HG23 THR A 116 25.110 27.228 46.964 1.00 0.00 H ATOM 1845 HG21 THR A 116 26.332 28.241 46.157 1.00 0.00 H ATOM 1846 HG22 THR A 116 26.631 26.501 46.393 1.00 0.00 H ATOM 1847 H THR A 116 25.474 30.331 47.463 1.00 0.00 H ATOM 1848 N LEU A 117 27.065 29.568 51.018 1.00 13.06 N ATOM 1849 CA LEU A 117 27.842 30.338 51.983 1.00 23.52 C ATOM 1850 C LEU A 117 29.074 29.552 52.417 1.00 38.96 C ATOM 1851 O LEU A 117 28.949 28.424 52.900 1.00 12.37 O ATOM 1852 CB LEU A 117 27.050 30.641 53.292 1.00 20.30 C ATOM 1853 CG LEU A 117 25.734 31.432 53.272 1.00 22.16 C ATOM 1854 CD1 LEU A 117 25.560 32.360 52.080 1.00 5.93 C ATOM 1855 CD2 LEU A 117 24.530 30.514 53.440 1.00 37.52 C ATOM 1856 HA LEU A 117 28.097 31.269 51.476 1.00 0.00 H ATOM 1857 HB2 LEU A 117 26.821 29.675 53.743 1.00 0.00 H ATOM 1858 HB3 LEU A 117 27.730 31.192 53.942 1.00 0.00 H ATOM 1859 HG LEU A 117 25.796 32.095 54.135 1.00 0.00 H ATOM 1860 HD21 LEU A 117 24.511 29.789 52.626 1.00 0.00 H ATOM 1861 HD22 LEU A 117 24.604 29.990 54.393 1.00 0.00 H ATOM 1862 HD23 LEU A 117 23.616 31.108 53.421 1.00 0.00 H ATOM 1863 HD11 LEU A 117 26.366 33.094 52.072 1.00 0.00 H ATOM 1864 HD12 LEU A 117 25.588 31.777 51.160 1.00 0.00 H ATOM 1865 HD13 LEU A 117 24.601 32.873 52.157 1.00 0.00 H ATOM 1866 H LEU A 117 26.475 28.790 51.376 1.00 0.00 H ATOM 1867 N THR A 118 30.261 30.159 52.298 1.00 13.47 N ATOM 1868 CA THR A 118 31.490 29.500 52.730 1.00 1.88 C ATOM 1869 C THR A 118 32.310 30.312 53.760 1.00 18.80 C ATOM 1870 O THR A 118 32.661 31.476 53.508 1.00 14.67 O ATOM 1871 CB THR A 118 32.346 28.982 51.544 1.00 5.71 C ATOM 1872 OG1 THR A 118 33.591 28.530 52.038 1.00 33.77 O ATOM 1873 CG2 THR A 118 32.591 30.076 50.511 1.00 23.20 C ATOM 1874 HA THR A 118 31.159 28.615 53.273 1.00 0.00 H ATOM 1875 HB THR A 118 31.803 28.170 51.060 1.00 0.00 H ATOM 1876 HG1 THR A 118 34.142 28.198 51.286 1.00 0.00 H ATOM 1877 HG23 THR A 118 31.635 30.430 50.125 1.00 0.00 H ATOM 1878 HG21 THR A 118 33.124 30.903 50.979 1.00 0.00 H ATOM 1879 HG22 THR A 118 33.188 29.674 49.693 1.00 0.00 H ATOM 1880 H THR A 118 30.309 31.115 51.891 1.00 0.00 H ATOM 1881 N HIS A 119 32.608 29.699 54.920 1.00 14.70 N ATOM 1882 CA HIS A 119 33.440 30.297 55.989 1.00 7.20 C ATOM 1883 C HIS A 119 34.321 29.230 56.607 1.00 10.49 C ATOM 1884 O HIS A 119 33.826 28.323 57.241 1.00 14.19 O ATOM 1885 CB HIS A 119 32.707 31.116 57.108 1.00 6.77 C ATOM 1886 CG HIS A 119 33.593 31.802 58.164 1.00 11.00 C ATOM 1887 ND1 HIS A 119 34.444 32.867 57.865 1.00 27.69 N ATOM 1888 CD2 HIS A 119 33.701 31.600 59.524 1.00 22.63 C ATOM 1889 CE1 HIS A 119 35.036 33.253 59.010 1.00 16.72 C ATOM 1890 NE2 HIS A 119 34.622 32.511 60.021 1.00 16.74 N ATOM 1891 HA HIS A 119 34.022 31.058 55.470 1.00 0.00 H ATOM 1892 HB2 HIS A 119 32.119 31.892 56.617 1.00 0.00 H ATOM 1893 HB3 HIS A 119 32.039 30.433 57.632 1.00 0.00 H ATOM 1894 HD2 HIS A 119 33.158 30.855 60.106 1.00 0.00 H ATOM 1895 HE1 HIS A 119 35.758 34.066 59.092 1.00 0.00 H ATOM 1896 H HIS A 119 32.229 28.743 55.076 1.00 0.00 H ATOM 1897 N GLY A 120 35.629 29.347 56.410 1.00 25.08 N ATOM 1898 CA GLY A 120 36.576 28.399 56.978 1.00 7.69 C ATOM 1899 C GLY A 120 36.424 27.023 56.383 1.00 11.23 C ATOM 1900 O GLY A 120 36.687 26.776 55.202 1.00 42.26 O ATOM 1901 HA3 GLY A 120 36.411 28.338 58.054 1.00 0.00 H ATOM 1902 HA2 GLY A 120 37.588 28.755 56.787 1.00 0.00 H ATOM 1903 H GLY A 120 35.986 30.137 55.835 1.00 0.00 H ATOM 1904 N THR A 121 36.006 26.090 57.208 1.00 10.99 N ATOM 1905 CA THR A 121 35.791 24.761 56.649 1.00 9.53 C ATOM 1906 C THR A 121 34.276 24.499 56.409 1.00 2.66 C ATOM 1907 O THR A 121 33.893 23.495 55.834 1.00 32.97 O ATOM 1908 CB THR A 121 36.320 23.528 57.472 1.00 18.77 C ATOM 1909 OG1 THR A 121 35.219 23.054 58.229 1.00 22.68 O ATOM 1910 CG2 THR A 121 37.553 23.603 58.388 1.00 18.89 C ATOM 1911 HA THR A 121 36.385 24.810 55.737 1.00 0.00 H ATOM 1912 HB THR A 121 36.721 22.885 56.689 1.00 0.00 H ATOM 1913 HG1 THR A 121 34.489 22.786 57.616 1.00 0.00 H ATOM 1914 HG23 THR A 121 38.407 23.967 57.817 1.00 0.00 H ATOM 1915 HG21 THR A 121 37.350 24.285 59.214 1.00 0.00 H ATOM 1916 HG22 THR A 121 37.773 22.610 58.781 1.00 0.00 H ATOM 1917 H THR A 121 35.836 26.290 58.214 1.00 0.00 H ATOM 1918 N ALA A 122 33.419 25.353 56.941 1.00 14.14 N ATOM 1919 CA ALA A 122 31.964 25.188 56.811 1.00 31.45 C ATOM 1920 C ALA A 122 31.400 25.727 55.473 1.00 26.21 C ATOM 1921 O ALA A 122 31.809 26.763 54.981 1.00 21.76 O ATOM 1922 CB ALA A 122 31.279 25.862 57.992 1.00 14.52 C ATOM 1923 HA ALA A 122 31.756 24.118 56.811 1.00 0.00 H ATOM 1924 HB1 ALA A 122 31.620 25.401 58.919 1.00 0.00 H ATOM 1925 HB2 ALA A 122 31.529 26.923 57.999 1.00 0.00 H ATOM 1926 HB3 ALA A 122 30.199 25.743 57.901 1.00 0.00 H ATOM 1927 H ALA A 122 33.787 26.170 57.470 1.00 0.00 H ATOM 1928 N VAL A 123 30.435 25.004 54.899 1.00 9.95 N ATOM 1929 CA VAL A 123 29.766 25.316 53.637 1.00 8.32 C ATOM 1930 C VAL A 123 28.263 25.021 53.765 1.00 29.58 C ATOM 1931 O VAL A 123 27.889 23.902 54.126 1.00 13.47 O ATOM 1932 CB VAL A 123 30.345 24.411 52.545 1.00 26.43 C ATOM 1933 CG1 VAL A 123 29.639 24.608 51.207 1.00 15.51 C ATOM 1934 CG2 VAL A 123 31.859 24.590 52.412 1.00 18.51 C ATOM 1935 HA VAL A 123 29.916 26.367 53.390 1.00 0.00 H ATOM 1936 HB VAL A 123 30.162 23.382 52.854 1.00 0.00 H ATOM 1937 HG11 VAL A 123 28.580 24.374 51.318 1.00 0.00 H ATOM 1938 HG12 VAL A 123 29.752 25.644 50.887 1.00 0.00 H ATOM 1939 HG13 VAL A 123 30.082 23.946 50.463 1.00 0.00 H ATOM 1940 HG21 VAL A 123 32.080 25.626 52.155 1.00 0.00 H ATOM 1941 HG22 VAL A 123 32.338 24.339 53.358 1.00 0.00 H ATOM 1942 HG23 VAL A 123 32.234 23.932 51.628 1.00 0.00 H ATOM 1943 H VAL A 123 30.132 24.141 55.394 1.00 0.00 H ATOM 1944 N CYS A 124 27.395 25.996 53.474 1.00 32.61 N ATOM 1945 CA CYS A 124 25.940 25.819 53.568 1.00 11.42 C ATOM 1946 C CYS A 124 25.272 26.030 52.206 1.00 16.26 C ATOM 1947 O CYS A 124 25.735 26.825 51.411 1.00 14.14 O ATOM 1948 CB CYS A 124 25.366 26.766 54.643 1.00 17.75 C ATOM 1949 SG CYS A 124 23.590 27.153 54.531 1.00 12.60 S ATOM 1950 HA CYS A 124 25.725 24.794 53.870 1.00 0.00 H ATOM 1951 HB2 CYS A 124 25.913 27.706 54.581 1.00 0.00 H ATOM 1952 HB3 CYS A 124 25.543 26.307 55.616 1.00 0.00 H ATOM 1953 HG CYS A 124 22.859 25.986 54.631 1.00 0.00 H ATOM 1954 H CYS A 124 27.766 26.918 53.168 1.00 0.00 H ATOM 1955 N THR A 125 24.205 25.306 51.902 1.00 10.24 N ATOM 1956 CA THR A 125 23.526 25.476 50.623 1.00 7.44 C ATOM 1957 C THR A 125 22.042 25.804 50.839 1.00 25.12 C ATOM 1958 O THR A 125 21.369 25.122 51.604 1.00 14.98 O ATOM 1959 CB THR A 125 23.599 24.193 49.772 1.00 6.79 C ATOM 1960 OG1 THR A 125 24.911 23.916 49.326 1.00 22.28 O ATOM 1961 CG2 THR A 125 22.679 24.365 48.583 1.00 7.56 C ATOM 1962 HA THR A 125 24.030 26.293 50.106 1.00 0.00 H ATOM 1963 HB THR A 125 23.292 23.349 50.390 1.00 0.00 H ATOM 1964 HG1 THR A 125 24.906 23.086 48.786 1.00 0.00 H ATOM 1965 HG23 THR A 125 21.669 24.578 48.934 1.00 0.00 H ATOM 1966 HG21 THR A 125 23.033 25.192 47.968 1.00 0.00 H ATOM 1967 HG22 THR A 125 22.674 23.448 47.994 1.00 0.00 H ATOM 1968 H THR A 125 23.847 24.607 52.584 1.00 0.00 H ATOM 1969 N ARG A 126 21.501 26.830 50.169 1.00 19.92 N ATOM 1970 CA ARG A 126 20.092 27.162 50.358 1.00 10.32 C ATOM 1971 C ARG A 126 19.353 27.368 49.028 1.00 34.99 C ATOM 1972 O ARG A 126 19.853 28.037 48.137 1.00 23.56 O ATOM 1973 CB ARG A 126 19.930 28.360 51.312 1.00 10.39 C ATOM 1974 CG ARG A 126 20.146 28.004 52.791 1.00 35.13 C ATOM 1975 CD ARG A 126 20.619 29.165 53.675 1.00 7.55 C ATOM 1976 NE ARG A 126 19.622 30.195 53.990 1.00 8.71 N ATOM 1977 CZ ARG A 126 18.684 30.080 54.936 1.00 19.03 C ATOM 1978 NH1 ARG A 126 18.561 28.979 55.650 1.00 13.67 N ATOM 1979 NH2 ARG A 126 17.856 31.091 55.186 1.00 7.67 N ATOM 1980 HA ARG A 126 19.617 26.302 50.830 1.00 0.00 H ATOM 1981 HB2 ARG A 126 20.655 29.124 51.032 1.00 0.00 H ATOM 1982 HB3 ARG A 126 18.922 28.758 51.197 1.00 0.00 H ATOM 1983 HG2 ARG A 126 19.201 27.636 53.192 1.00 0.00 H ATOM 1984 HG3 ARG A 126 20.894 27.213 52.843 1.00 0.00 H ATOM 1985 HD2 ARG A 126 21.450 29.653 53.165 1.00 0.00 H ATOM 1986 HD3 ARG A 126 20.969 28.743 54.617 1.00 0.00 H ATOM 1987 HE ARG A 126 19.647 31.076 53.439 1.00 0.00 H ATOM 1988 HH12 ARG A 126 17.824 28.913 56.381 1.00 0.00 H ATOM 1989 HH11 ARG A 126 19.201 28.177 55.483 1.00 0.00 H ATOM 1990 HH22 ARG A 126 17.128 30.997 55.923 1.00 0.00 H ATOM 1991 HH21 ARG A 126 17.937 31.975 54.645 1.00 0.00 H ATOM 1992 H ARG A 126 22.084 27.390 49.515 1.00 0.00 H ATOM 1993 N THR A 127 18.167 26.781 48.838 1.00 10.78 N ATOM 1994 CA THR A 127 17.480 27.001 47.563 1.00 12.98 C ATOM 1995 C THR A 127 16.167 27.772 47.655 1.00 12.26 C ATOM 1996 O THR A 127 15.395 27.582 48.594 1.00 9.18 O ATOM 1997 CB THR A 127 17.428 25.777 46.625 1.00 38.60 C ATOM 1998 OG1 THR A 127 16.251 25.772 45.822 1.00 19.21 O ATOM 1999 CG2 THR A 127 17.523 24.514 47.439 1.00 1.00 C ATOM 2000 HA THR A 127 18.151 27.692 47.054 1.00 0.00 H ATOM 2001 HB THR A 127 18.277 25.834 45.944 1.00 0.00 H ATOM 2002 HG1 THR A 127 16.256 24.974 45.236 1.00 0.00 H ATOM 2003 HG23 THR A 127 18.429 24.540 48.044 1.00 0.00 H ATOM 2004 HG21 THR A 127 16.652 24.436 48.090 1.00 0.00 H ATOM 2005 HG22 THR A 127 17.556 23.654 46.770 1.00 0.00 H ATOM 2006 H THR A 127 17.743 26.184 49.576 1.00 0.00 H ATOM 2007 N TYR A 128 15.950 28.646 46.650 1.00 13.69 N ATOM 2008 CA TYR A 128 14.776 29.526 46.546 1.00 15.44 C ATOM 2009 C TYR A 128 13.933 29.240 45.309 1.00 36.61 C ATOM 2010 O TYR A 128 14.456 28.890 44.253 1.00 13.37 O ATOM 2011 CB TYR A 128 15.193 31.027 46.489 1.00 18.66 C ATOM 2012 CG TYR A 128 15.676 31.580 47.813 1.00 6.98 C ATOM 2013 CD1 TYR A 128 16.970 31.388 48.228 1.00 17.29 C ATOM 2014 CD2 TYR A 128 14.782 32.281 48.675 1.00 22.26 C ATOM 2015 CE1 TYR A 128 17.428 31.876 49.478 1.00 9.92 C ATOM 2016 CE2 TYR A 128 15.205 32.762 49.891 1.00 12.76 C ATOM 2017 CZ TYR A 128 16.557 32.552 50.296 1.00 4.68 C ATOM 2018 OH TYR A 128 16.981 33.006 51.508 1.00 15.82 O ATOM 2019 HA TYR A 128 14.187 29.323 47.440 1.00 0.00 H ATOM 2020 HB3 TYR A 128 14.331 31.611 46.167 1.00 0.00 H ATOM 2021 HB2 TYR A 128 15.996 31.133 45.759 1.00 0.00 H ATOM 2022 HD2 TYR A 128 13.749 32.438 48.365 1.00 0.00 H ATOM 2023 HE2 TYR A 128 14.514 33.299 50.540 1.00 0.00 H ATOM 2024 HE1 TYR A 128 18.461 31.716 49.786 1.00 0.00 H ATOM 2025 HD1 TYR A 128 17.662 30.848 47.582 1.00 0.00 H ATOM 2026 HH TYR A 128 17.937 32.778 51.629 1.00 0.00 H ATOM 2027 H TYR A 128 16.664 28.701 45.895 1.00 0.00 H ATOM 2028 N GLU A 129 12.623 29.437 45.444 1.00 15.41 N ATOM 2029 CA GLU A 129 11.677 29.279 44.351 1.00 25.43 C ATOM 2030 C GLU A 129 11.121 30.650 43.986 1.00 41.88 C ATOM 2031 O GLU A 129 10.868 31.472 44.850 1.00 16.54 O ATOM 2032 CB GLU A 129 10.516 28.373 44.776 1.00 13.04 C ATOM 2033 CG GLU A 129 9.763 27.692 43.629 1.00 52.55 C ATOM 2034 CD GLU A 129 9.256 26.365 44.098 1.00100.00 C ATOM 2035 OE1 GLU A 129 10.152 25.416 43.952 1.00 43.13 O ATOM 2036 OE2 GLU A 129 8.153 26.215 44.605 1.00 35.71 O ATOM 2037 HA GLU A 129 12.186 28.829 43.499 1.00 0.00 H ATOM 2038 HB2 GLU A 129 10.916 27.594 45.425 1.00 0.00 H ATOM 2039 HB3 GLU A 129 9.803 28.979 45.335 1.00 0.00 H ATOM 2040 HG2 GLU A 129 8.924 28.316 43.321 1.00 0.00 H ATOM 2041 HG3 GLU A 129 10.436 27.548 42.784 1.00 0.00 H ATOM 2042 H GLU A 129 12.259 29.718 46.377 1.00 0.00 H ATOM 2043 N LYS A 130 10.944 30.888 42.700 1.00 15.94 N ATOM 2044 CA LYS A 130 10.426 32.137 42.168 1.00 36.84 C ATOM 2045 C LYS A 130 8.976 32.341 42.568 1.00 35.43 C ATOM 2046 O LYS A 130 8.147 31.486 42.293 1.00 16.47 O ATOM 2047 CB LYS A 130 10.471 32.040 40.659 1.00 26.22 C ATOM 2048 CG LYS A 130 11.016 33.271 39.985 1.00 19.92 C ATOM 2049 CD LYS A 130 10.330 34.543 40.425 1.00 18.45 C ATOM 2050 CE LYS A 130 10.996 35.709 39.736 1.00100.00 C ATOM 2051 NZ LYS A 130 11.743 35.257 38.551 1.00 39.89 N ATOM 2052 HA LYS A 130 11.022 32.964 42.553 1.00 0.00 H ATOM 2053 HB2 LYS A 130 11.101 31.193 40.388 1.00 0.00 H ATOM 2054 HB3 LYS A 130 9.458 31.869 40.295 1.00 0.00 H ATOM 2055 HG2 LYS A 130 12.078 33.352 40.217 1.00 0.00 H ATOM 2056 HG3 LYS A 130 10.888 33.162 38.908 1.00 0.00 H ATOM 2057 HD2 LYS A 130 9.276 34.507 40.150 1.00 0.00 H ATOM 2058 HD3 LYS A 130 10.419 34.654 41.506 1.00 0.00 H ATOM 2059 HE2 LYS A 130 11.684 36.190 40.431 1.00 0.00 H ATOM 2060 HE3 LYS A 130 10.234 36.425 39.427 1.00 0.00 H ATOM 2061 HZ1 LYS A 130 12.474 34.576 38.842 1.00 0.00 H ATOM 2062 HZ2 LYS A 130 11.089 34.801 37.883 1.00 0.00 H ATOM 2063 HZ3 LYS A 130 12.193 36.075 38.093 1.00 0.00 H ATOM 2064 H LYS A 130 11.190 30.135 42.026 1.00 0.00 H ATOM 2065 N GLU A 131 8.655 33.469 43.198 1.00 12.82 N ATOM 2066 CA GLU A 131 7.281 33.722 43.601 1.00 11.36 C ATOM 2067 C GLU A 131 6.572 34.536 42.539 1.00 41.70 C ATOM 2068 O GLU A 131 5.376 34.273 42.324 1.00 43.54 O ATOM 2069 CB GLU A 131 7.128 34.303 45.035 1.00 17.88 C ATOM 2070 CG GLU A 131 5.789 35.044 45.295 1.00 57.45 C ATOM 2071 CD GLU A 131 5.229 34.894 46.694 1.00 60.82 C ATOM 2072 OE1 GLU A 131 5.820 34.344 47.613 1.00 40.43 O ATOM 2073 OE2 GLU A 131 4.026 35.406 46.813 1.00 70.37 O ATOM 2074 HA GLU A 131 6.784 32.754 43.675 1.00 0.00 H ATOM 2075 HB2 GLU A 131 7.204 33.480 45.745 1.00 0.00 H ATOM 2076 HB3 GLU A 131 7.944 35.005 45.206 1.00 0.00 H ATOM 2077 HG2 GLU A 131 5.949 36.106 45.108 1.00 0.00 H ATOM 2078 HG3 GLU A 131 5.049 34.660 44.593 1.00 0.00 H ATOM 2079 H GLU A 131 9.392 34.174 43.403 1.00 0.00 H TER 2080 GLU A 131 HETATM 2081 O HOH 1 19.078 35.593 50.133 1.00 16.47 O HETATM 2082 O HOH 2 20.379 37.601 52.790 1.00 26.61 O HETATM 2083 O HOH 3 20.785 39.392 55.234 1.00 31.58 O HETATM 2084 O HOH 4 23.066 40.189 56.222 1.00 21.77 O HETATM 2085 O HOH 5 23.090 43.023 55.092 1.00 25.12 O HETATM 2086 O HOH 6 21.884 41.651 52.452 1.00 27.08 O HETATM 2087 O HOH 7 23.984 39.203 49.865 1.00 23.87 O HETATM 2088 O HOH 8 31.094 41.886 37.139 1.00 58.98 O HETATM 2089 O HOH 9 4.255 34.942 40.769 1.00 40.09 O HETATM 2090 O HOH 10 23.093 39.985 32.578 1.00 31.11 O HETATM 2091 O HOH 11 8.899 36.568 40.360 1.00 36.68 O HETATM 2092 O HOH 12 12.201 48.058 39.133 1.00 29.42 O HETATM 2093 O HOH 13 13.726 45.732 38.830 1.00 17.38 O HETATM 2094 O HOH 14 23.778 54.727 38.925 1.00 52.45 O HETATM 2095 O HOH 15 18.013 22.211 44.594 1.00 87.28 O HETATM 2096 O HOH 16 22.774 49.022 54.755 1.00100.00 O HETATM 2097 O HOH 17 29.971 46.284 44.793 1.00 12.83 O HETATM 2098 O HOH 18 33.845 39.568 66.381 1.00100.00 O HETATM 2099 O HOH 19 31.507 30.487 39.758 1.00 36.67 O HETATM 2100 O HOH 20 29.793 41.943 68.793 1.00100.00 O HETATM 2101 O HOH 21 20.218 25.024 66.001 1.00 23.36 O HETATM 2102 O HOH 22 13.016 49.652 41.287 1.00 41.31 O HETATM 2103 O HOH 23 35.277 33.849 62.792 1.00 49.27 O HETATM 2104 O HOH 24 31.607 22.797 59.537 1.00 76.70 O HETATM 2105 O HOH 25 30.719 41.327 71.773 1.00 50.66 O HETATM 2106 O HOH 26 24.427 36.037 68.582 1.00 46.25 O HETATM 2107 O HOH 27 26.690 30.104 35.746 1.00 33.63 O HETATM 2108 O HOH 28 19.898 25.317 73.711 1.00 14.17 O HETATM 2109 O HOH 29 34.726 47.945 62.620 1.00100.00 O HETATM 2110 O HOH 30 35.293 46.155 59.398 1.00 62.18 O HETATM 2111 O HOH 31 17.294 49.521 42.844 1.00 9.93 O HETATM 2112 O HOH 32 34.944 45.714 64.468 1.00100.00 O HETATM 2113 O HOH 33 20.579 51.450 50.934 1.00 28.43 O HETATM 2114 O HOH 34 21.490 22.855 59.761 1.00 20.32 O HETATM 2115 O HOH 35 17.440 50.151 50.319 1.00 38.99 O HETATM 2116 O HOH 36 19.895 24.151 57.514 1.00 35.59 O HETATM 2117 O HOH 37 25.551 56.786 40.455 1.00 63.08 O HETATM 2118 O HOH 38 16.336 22.265 56.262 1.00 35.69 O HETATM 2119 O HOH 39 14.242 22.492 54.218 1.00 38.30 O HETATM 2120 O HOH 40 21.153 49.329 52.472 1.00 59.55 O HETATM 2121 O HOH 41 23.119 50.276 50.911 1.00 28.98 O HETATM 2122 O HOH 42 22.326 45.727 60.156 1.00100.00 O HETATM 2123 O HOH 43 17.110 22.998 41.403 1.00100.00 O HETATM 2124 O HOH 44 23.867 47.307 55.522 1.00 26.37 O HETATM 2125 O HOH 45 7.081 36.141 49.587 1.00 53.01 O HETATM 2126 O HOH 46 15.596 21.511 53.935 1.00 37.02 O HETATM 2127 O HOH 47 33.392 52.842 57.550 1.00100.00 O HETATM 2128 O HOH 48 40.074 43.280 57.071 1.00 37.68 O HETATM 2129 O HOH 49 36.025 25.321 52.852 1.00 43.59 O HETATM 2130 O HOH 50 13.248 44.347 69.330 1.00 46.56 O HETATM 2131 O HOH 51 32.139 20.808 56.603 1.00 57.03 O HETATM 2132 O HOH 52 10.265 34.757 64.340 1.00 41.70 O HETATM 2133 O HOH 53 16.073 18.399 52.418 1.00 21.62 O HETATM 2134 O HOH 54 21.588 45.005 55.673 1.00 21.85 O HETATM 2135 C1 PLM A 55 19.697 33.974 53.580 1.00 0.03 C HETATM 2136 O1 PLM A 55 19.653 34.955 52.882 1.00 -0.57 O HETATM 2137 O2 PLM A 55 19.226 32.823 53.213 1.00 -0.57 O HETATM 2138 C2 PLM A 55 20.335 33.966 54.960 1.00 0.00 C HETATM 2139 C3 PLM A 55 21.494 34.945 55.022 1.00 -0.04 C HETATM 2140 C4 PLM A 55 22.371 34.819 56.257 1.00 -0.05 C HETATM 2141 C5 PLM A 55 23.505 35.833 56.240 1.00 -0.05 C HETATM 2142 C6 PLM A 55 24.049 36.202 57.613 1.00 -0.05 C HETATM 2143 C7 PLM A 55 23.820 35.150 58.686 1.00 -0.05 C HETATM 2144 C8 PLM A 55 23.169 35.729 59.931 1.00 -0.05 C HETATM 2145 C9 PLM A 55 22.683 34.663 60.893 1.00 -0.05 C HETATM 2146 CA PLM A 55 21.565 35.148 61.795 1.00 -0.05 C HETATM 2147 CB PLM A 55 20.207 34.672 61.331 1.00 -0.05 C HETATM 2148 CC PLM A 55 19.547 35.719 60.462 1.00 -0.05 C HETATM 2149 CD PLM A 55 18.169 35.327 59.983 1.00 -0.05 C HETATM 2150 CE PLM A 55 17.708 36.215 58.851 1.00 -0.05 C HETATM 2151 CF PLM A 55 18.049 35.610 57.502 1.00 -0.06 C HETATM 2152 CG PLM A 55 19.397 36.046 56.954 1.00 -0.07 C HETATM 2153 H29 PLM A 55 19.569 35.567 55.979 1.00 0.02 H HETATM 2154 H30 PLM A 55 20.191 35.748 57.654 1.00 0.02 H HETATM 2155 H31 PLM A 55 19.407 37.139 56.832 1.00 0.02 H HETATM 2156 H27 PLM A 55 17.271 35.906 56.783 1.00 0.03 H HETATM 2157 H28 PLM A 55 18.055 34.515 57.605 1.00 0.03 H HETATM 2158 H25 PLM A 55 18.202 37.194 58.940 1.00 0.03 H HETATM 2159 H26 PLM A 55 16.618 36.346 58.920 1.00 0.03 H HETATM 2160 H23 PLM A 55 17.460 35.416 60.819 1.00 0.03 H HETATM 2161 H24 PLM A 55 18.194 34.285 59.633 1.00 0.03 H HETATM 2162 H21 PLM A 55 20.184 35.893 59.583 1.00 0.03 H HETATM 2163 H22 PLM A 55 19.462 36.649 61.043 1.00 0.03 H HETATM 2164 H19 PLM A 55 19.573 34.477 62.208 1.00 0.03 H HETATM 2165 H20 PLM A 55 20.327 33.744 60.752 1.00 0.03 H HETATM 2166 H17 PLM A 55 21.570 36.248 61.805 1.00 0.03 H HETATM 2167 H18 PLM A 55 21.743 34.771 62.813 1.00 0.03 H HETATM 2168 H15 PLM A 55 23.528 34.346 61.521 1.00 0.03 H HETATM 2169 H16 PLM A 55 22.317 33.805 60.310 1.00 0.03 H HETATM 2170 H13 PLM A 55 22.309 36.343 59.624 1.00 0.03 H HETATM 2171 H14 PLM A 55 23.905 36.361 60.450 1.00 0.03 H HETATM 2172 H11 PLM A 55 24.790 34.712 58.965 1.00 0.03 H HETATM 2173 H12 PLM A 55 23.167 34.365 58.278 1.00 0.03 H HETATM 2174 H9 PLM A 55 23.562 37.134 57.936 1.00 0.03 H HETATM 2175 H10 PLM A 55 25.133 36.367 57.520 1.00 0.03 H HETATM 2176 H7 PLM A 55 23.136 36.751 55.759 1.00 0.03 H HETATM 2177 H8 PLM A 55 24.330 35.414 55.646 1.00 0.03 H HETATM 2178 H5 PLM A 55 22.798 33.806 56.291 1.00 0.03 H HETATM 2179 H6 PLM A 55 21.754 34.987 57.152 1.00 0.03 H HETATM 2180 H3 PLM A 55 21.082 35.965 54.998 1.00 0.03 H HETATM 2181 H4 PLM A 55 22.126 34.784 54.136 1.00 0.03 H HETATM 2182 H1 PLM A 55 20.705 32.954 55.181 1.00 0.04 H HETATM 2183 H2 PLM A 55 19.581 34.252 55.708 1.00 0.04 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 2135 2136 2137 2138 CONECT 2136 2135 CONECT 2137 2135 CONECT 2138 2135 2139 2182 2183 CONECT 2139 2138 2140 2180 2181 CONECT 2140 2139 2141 2178 2179 CONECT 2141 2140 2142 2176 2177 CONECT 2142 2141 2143 2174 2175 CONECT 2143 2142 2144 2172 2173 CONECT 2144 2143 2145 2170 2171 CONECT 2145 2144 2146 2168 2169 CONECT 2146 2145 2147 2166 2167 CONECT 2147 2146 2148 2164 2165 CONECT 2148 2147 2149 2162 2163 CONECT 2149 2148 2150 2160 2161 CONECT 2150 2149 2151 2158 2159 CONECT 2151 2150 2152 2156 2157 CONECT 2152 2151 2153 2154 2155 CONECT 2153 2152 CONECT 2154 2152 CONECT 2155 2152 CONECT 2156 2151 CONECT 2157 2151 CONECT 2158 2150 CONECT 2159 2150 CONECT 2160 2149 CONECT 2161 2149 CONECT 2162 2148 CONECT 2163 2148 CONECT 2164 2147 CONECT 2165 2147 CONECT 2166 2146 CONECT 2167 2146 CONECT 2168 2145 CONECT 2169 2145 CONECT 2170 2144 CONECT 2171 2144 CONECT 2172 2143 CONECT 2173 2143 CONECT 2174 2142 CONECT 2175 2142 CONECT 2176 2141 CONECT 2177 2141 CONECT 2178 2140 CONECT 2179 2140 CONECT 2180 2139 CONECT 2181 2139 CONECT 2182 2138 CONECT 2183 2138 MASTER 0 0 0 0 0 0 0 0 2182 1 53 11 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
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Related entries of code: 2hmb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1hmr
RCSB PDB
PDBbind
132aa, >1HMR_1|Chain... at 100%
1hms
RCSB PDB
PDBbind
132aa, >1HMS_1|Chain... at 100%
1hmt
RCSB PDB
PDBbind
132aa, >1HMT_1|Chain... at 100%
3wvm
RCSB PDB
PDBbind
133aa, >3WVM_1|Chain... at 100%
4tjz
RCSB PDB
PDBbind
133aa, >4TJZ_1|Chain... at 100%
4tkb
RCSB PDB
PDBbind
133aa, >4TKB_1|Chain... at 100%
4tkh
RCSB PDB
PDBbind
133aa, >4TKH_1|Chain... at 100%
4tkj
RCSB PDB
PDBbind
133aa, >4TKJ_1|Chain... at 100%
5hz9
RCSB PDB
PDBbind
135aa, >5HZ9_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1b56
RCSB PDB
PDBbind
PLM
2hnx
RCSB PDB
PDBbind
PLM
3l1n
RCSB PDB
PDBbind
PLM
3qlm
RCSB PDB
PDBbind
PLM
3uew
RCSB PDB
PDBbind
PLM
3v2q
RCSB PDB
PDBbind
PLM
4tkj
RCSB PDB
PDBbind
PLM
5d1w
RCSB PDB
PDBbind
PLM
6qi7
RCSB PDB
PDBbind
PLM
Entry Information
PDB ID
2hmb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
recombinant human muscle fatty acid-binding protein, H-FABP
Ligand Name
PLM
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
IC50=2.6uM
Release Year
1994
Protein/NA Sequence
Check fasta file
Primary Reference
(2004) Bioorg. Med. Chem. Lett., Vol.14, pp.4445-4448
Ligand Properties
Formula
C
1
6
H
3
2
O
2
Molecular Weight
256.424
Exact Mass
256.240
No. of atoms
50
No. of bonds
49
Polar Surface Area
37.3
LOGP Value
8.56 (
Computed with XLOGP3
)
5.55 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)O
InChI String
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
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):
P05413
Entrez Gene ID
NCBI Entrez Gene ID:
2170
ASD
Information of known allosteric effects of PDB entries
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