Browse entries in the PDBbind-CN Database
HEADER 1HMS_COMPLEX COMPND 1HMS_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 OLA A 355 53 ATOM 1 N VAL A 1 21.904 39.573 33.927 1.00 23.62 N ATOM 2 CA VAL A 1 21.182 39.713 35.174 1.00 16.73 C ATOM 3 C VAL A 1 19.703 39.457 35.082 1.00 13.64 C ATOM 4 O VAL A 1 19.091 39.153 36.110 1.00 13.19 O ATOM 5 CB VAL A 1 21.503 40.932 35.983 1.00 18.72 C ATOM 6 CG1 VAL A 1 20.640 42.113 35.794 1.00 28.19 C ATOM 7 CG2 VAL A 1 22.027 40.684 37.354 1.00 32.52 C ATOM 8 HA VAL A 1 21.591 38.885 35.753 1.00 0.00 H ATOM 9 HB VAL A 1 22.399 41.292 35.477 1.00 0.00 H ATOM 10 HG11 VAL A 1 20.687 42.433 34.753 1.00 0.00 H ATOM 11 HG12 VAL A 1 19.612 41.855 36.050 1.00 0.00 H ATOM 12 HG13 VAL A 1 20.985 42.921 36.440 1.00 0.00 H ATOM 13 HG21 VAL A 1 21.289 40.124 37.928 1.00 0.00 H ATOM 14 HG22 VAL A 1 22.951 40.110 37.290 1.00 0.00 H ATOM 15 HG23 VAL A 1 22.223 41.637 37.844 1.00 0.00 H ATOM 16 HN3 VAL A 1 21.526 40.248 33.231 1.00 0.00 H ATOM 17 HN2 VAL A 1 21.790 38.603 33.569 1.00 0.00 H ATOM 18 HN1 VAL A 1 22.913 39.768 34.088 1.00 0.00 H ATOM 19 N ASP A 2 19.073 39.616 33.918 1.00 13.59 N ATOM 20 CA ASP A 2 17.637 39.695 33.846 1.00 15.91 C ATOM 21 C ASP A 2 16.916 38.471 34.357 1.00 15.77 C ATOM 22 O ASP A 2 15.806 38.584 34.948 1.00 15.10 O ATOM 23 CB ASP A 2 17.117 40.164 32.523 1.00 17.78 C ATOM 24 CG ASP A 2 17.648 41.517 32.088 1.00 21.12 C ATOM 25 OD1 ASP A 2 17.185 42.562 32.654 1.00 24.37 O ATOM 26 OD2 ASP A 2 18.499 41.555 31.224 1.00 23.03 O ATOM 27 HA ASP A 2 17.390 40.485 34.555 1.00 0.00 H ATOM 28 HB2 ASP A 2 17.394 39.429 31.767 1.00 0.00 H ATOM 29 HB3 ASP A 2 16.031 40.227 32.586 1.00 0.00 H ATOM 30 H ASP A 2 19.631 39.684 33.043 1.00 0.00 H ATOM 31 N ALA A 3 17.475 37.292 34.138 1.00 13.64 N ATOM 32 CA ALA A 3 16.862 36.072 34.595 1.00 17.06 C ATOM 33 C ALA A 3 16.767 35.897 36.066 1.00 15.19 C ATOM 34 O ALA A 3 16.020 35.014 36.523 1.00 16.74 O ATOM 35 CB ALA A 3 17.347 34.858 33.878 1.00 24.12 C ATOM 36 HA ALA A 3 15.820 36.201 34.303 1.00 0.00 H ATOM 37 HB1 ALA A 3 17.130 34.955 32.814 1.00 0.00 H ATOM 38 HB2 ALA A 3 18.423 34.758 34.023 1.00 0.00 H ATOM 39 HB3 ALA A 3 16.842 33.977 34.275 1.00 0.00 H ATOM 40 H ALA A 3 18.378 37.245 33.624 1.00 0.00 H ATOM 41 N PHE A 4 17.533 36.647 36.878 1.00 13.39 N ATOM 42 CA PHE A 4 17.419 36.535 38.325 1.00 11.07 C ATOM 43 C PHE A 4 16.271 37.395 38.891 1.00 9.22 C ATOM 44 O PHE A 4 15.950 37.321 40.062 1.00 10.68 O ATOM 45 CB PHE A 4 18.738 37.077 38.977 1.00 11.82 C ATOM 46 CG PHE A 4 19.914 36.121 38.783 1.00 11.99 C ATOM 47 CD1 PHE A 4 20.040 35.011 39.596 1.00 13.42 C ATOM 48 CD2 PHE A 4 20.842 36.318 37.787 1.00 13.26 C ATOM 49 CE1 PHE A 4 21.105 34.153 39.389 1.00 14.40 C ATOM 50 CE2 PHE A 4 21.928 35.494 37.608 1.00 13.58 C ATOM 51 CZ PHE A 4 22.008 34.353 38.388 1.00 13.65 C ATOM 52 HA PHE A 4 17.232 35.485 38.551 1.00 0.00 H ATOM 53 HB2 PHE A 4 18.986 38.036 38.522 1.00 0.00 H ATOM 54 HB3 PHE A 4 18.571 37.215 40.045 1.00 0.00 H ATOM 55 HD2 PHE A 4 20.711 37.163 37.111 1.00 0.00 H ATOM 56 HE2 PHE A 4 22.700 35.731 36.876 1.00 0.00 H ATOM 57 HZ PHE A 4 22.790 33.617 38.202 1.00 0.00 H ATOM 58 HE1 PHE A 4 21.226 33.292 40.046 1.00 0.00 H ATOM 59 HD1 PHE A 4 19.314 34.815 40.385 1.00 0.00 H ATOM 60 H PHE A 4 18.215 37.316 36.467 1.00 0.00 H ATOM 61 N LEU A 5 15.792 38.351 38.059 1.00 8.54 N ATOM 62 CA LEU A 5 14.829 39.312 38.647 1.00 8.92 C ATOM 63 C LEU A 5 13.493 38.642 38.952 1.00 10.06 C ATOM 64 O LEU A 5 13.019 37.755 38.189 1.00 12.03 O ATOM 65 CB LEU A 5 14.611 40.477 37.643 1.00 11.77 C ATOM 66 CG LEU A 5 15.863 41.184 37.171 1.00 13.05 C ATOM 67 CD1 LEU A 5 15.554 42.237 36.123 1.00 14.85 C ATOM 68 CD2 LEU A 5 16.699 41.727 38.313 1.00 14.30 C ATOM 69 HA LEU A 5 15.237 39.688 39.585 1.00 0.00 H ATOM 70 HB2 LEU A 5 14.104 40.073 36.767 1.00 0.00 H ATOM 71 HB3 LEU A 5 13.970 41.217 38.123 1.00 0.00 H ATOM 72 HG LEU A 5 16.482 40.429 36.687 1.00 0.00 H ATOM 73 HD21 LEU A 5 16.109 42.442 38.886 1.00 0.00 H ATOM 74 HD22 LEU A 5 17.005 40.905 38.961 1.00 0.00 H ATOM 75 HD23 LEU A 5 17.583 42.223 37.911 1.00 0.00 H ATOM 76 HD11 LEU A 5 15.082 41.763 35.262 1.00 0.00 H ATOM 77 HD12 LEU A 5 14.879 42.981 36.545 1.00 0.00 H ATOM 78 HD13 LEU A 5 16.480 42.720 35.811 1.00 0.00 H ATOM 79 H LEU A 5 16.084 38.407 37.062 1.00 0.00 H ATOM 80 N GLY A 6 12.911 39.082 40.055 1.00 8.02 N ATOM 81 CA GLY A 6 11.615 38.639 40.510 1.00 10.51 C ATOM 82 C GLY A 6 11.524 38.319 41.959 1.00 8.68 C ATOM 83 O GLY A 6 12.389 38.746 42.768 1.00 10.27 O ATOM 84 HA3 GLY A 6 11.350 37.742 39.950 1.00 0.00 H ATOM 85 HA2 GLY A 6 10.894 39.428 40.293 1.00 0.00 H ATOM 86 H GLY A 6 13.416 39.788 40.628 1.00 0.00 H ATOM 87 N THR A 7 10.494 37.580 42.326 1.00 8.61 N ATOM 88 CA THR A 7 10.147 37.166 43.634 1.00 8.77 C ATOM 89 C THR A 7 10.320 35.656 43.810 1.00 7.90 C ATOM 90 O THR A 7 9.836 34.901 43.000 1.00 10.67 O ATOM 91 CB THR A 7 8.681 37.570 43.986 1.00 9.41 C ATOM 92 OG1 THR A 7 8.546 39.007 43.839 1.00 11.58 O ATOM 93 CG2 THR A 7 8.336 37.175 45.379 1.00 11.27 C ATOM 94 HA THR A 7 10.827 37.676 44.317 1.00 0.00 H ATOM 95 HB THR A 7 8.000 37.053 43.311 1.00 0.00 H ATOM 96 HG1 THR A 7 8.751 39.263 42.905 1.00 0.00 H ATOM 97 HG23 THR A 7 8.439 36.095 45.485 1.00 0.00 H ATOM 98 HG21 THR A 7 9.010 37.675 46.075 1.00 0.00 H ATOM 99 HG22 THR A 7 7.308 37.466 45.594 1.00 0.00 H ATOM 100 H THR A 7 9.862 37.264 41.563 1.00 0.00 H ATOM 101 N TRP A 8 11.098 35.289 44.807 1.00 8.54 N ATOM 102 CA TRP A 8 11.493 33.865 44.961 1.00 8.41 C ATOM 103 C TRP A 8 11.158 33.402 46.376 1.00 8.68 C ATOM 104 O TRP A 8 11.373 34.230 47.298 1.00 9.46 O ATOM 105 CB TRP A 8 13.029 33.849 44.777 1.00 9.21 C ATOM 106 CG TRP A 8 13.532 34.259 43.423 1.00 9.05 C ATOM 107 CD1 TRP A 8 13.898 35.530 43.041 1.00 10.06 C ATOM 108 CD2 TRP A 8 13.679 33.426 42.282 1.00 7.76 C ATOM 109 NE1 TRP A 8 14.320 35.516 41.719 1.00 9.63 N ATOM 110 CE2 TRP A 8 14.187 34.224 41.246 1.00 8.77 C ATOM 111 CE3 TRP A 8 13.478 32.045 42.029 1.00 9.65 C ATOM 112 CZ2 TRP A 8 14.461 33.714 39.993 1.00 9.66 C ATOM 113 CZ3 TRP A 8 13.761 31.558 40.803 1.00 9.58 C ATOM 114 CH2 TRP A 8 14.269 32.392 39.778 1.00 11.82 C ATOM 115 HA TRP A 8 10.982 33.215 44.251 1.00 0.00 H ATOM 116 HB2 TRP A 8 13.461 34.527 45.513 1.00 0.00 H ATOM 117 HB3 TRP A 8 13.378 32.835 44.970 1.00 0.00 H ATOM 118 HE1 TRP A 8 14.673 36.332 41.180 1.00 0.00 H ATOM 119 HD1 TRP A 8 13.862 36.413 43.679 1.00 0.00 H ATOM 120 HZ2 TRP A 8 14.824 34.362 39.195 1.00 0.00 H ATOM 121 HH2 TRP A 8 14.508 31.964 38.804 1.00 0.00 H ATOM 122 HZ3 TRP A 8 13.595 30.500 40.597 1.00 0.00 H ATOM 123 HE3 TRP A 8 13.101 31.388 42.812 1.00 0.00 H ATOM 124 H TRP A 8 11.437 35.998 45.488 1.00 0.00 H ATOM 125 N LYS A 9 10.743 32.181 46.608 1.00 8.78 N ATOM 126 CA LYS A 9 10.419 31.689 47.939 1.00 9.80 C ATOM 127 C LYS A 9 11.223 30.426 48.265 1.00 7.82 C ATOM 128 O LYS A 9 11.482 29.580 47.396 1.00 8.66 O ATOM 129 CB LYS A 9 8.934 31.407 48.125 1.00 17.96 C ATOM 130 CG LYS A 9 8.156 32.752 48.337 1.00 27.08 C ATOM 131 CD LYS A 9 6.887 32.522 49.106 1.00 31.64 C ATOM 132 CE LYS A 9 7.149 32.077 50.547 1.00 39.34 C ATOM 133 NZ LYS A 9 8.552 32.292 50.981 1.00 40.49 N ATOM 134 HA LYS A 9 10.690 32.488 48.629 1.00 0.00 H ATOM 135 HB2 LYS A 9 8.548 30.902 47.239 1.00 0.00 H ATOM 136 HB3 LYS A 9 8.794 30.767 48.996 1.00 0.00 H ATOM 137 HG2 LYS A 9 8.788 33.447 48.890 1.00 0.00 H ATOM 138 HG3 LYS A 9 7.912 33.180 47.365 1.00 0.00 H ATOM 139 HD2 LYS A 9 6.316 33.450 49.125 1.00 0.00 H ATOM 140 HD3 LYS A 9 6.307 31.750 48.601 1.00 0.00 H ATOM 141 HE2 LYS A 9 6.920 31.014 50.628 1.00 0.00 H ATOM 142 HE3 LYS A 9 6.491 32.641 51.209 1.00 0.00 H ATOM 143 HZ1 LYS A 9 9.191 31.751 50.364 1.00 0.00 H ATOM 144 HZ2 LYS A 9 8.782 33.304 50.918 1.00 0.00 H ATOM 145 HZ3 LYS A 9 8.663 31.971 51.964 1.00 0.00 H ATOM 146 H LYS A 9 10.640 31.532 45.802 1.00 0.00 H ATOM 147 N LEU A 10 11.708 30.334 49.498 1.00 7.89 N ATOM 148 CA LEU A 10 12.532 29.176 49.842 1.00 9.37 C ATOM 149 C LEU A 10 11.704 27.903 49.884 1.00 8.46 C ATOM 150 O LEU A 10 10.662 27.890 50.501 1.00 12.07 O ATOM 151 CB LEU A 10 13.170 29.378 51.205 1.00 9.14 C ATOM 152 CG LEU A 10 14.129 28.307 51.705 1.00 10.29 C ATOM 153 CD1 LEU A 10 15.475 28.484 51.026 1.00 12.09 C ATOM 154 CD2 LEU A 10 14.239 28.329 53.216 1.00 14.56 C ATOM 155 HA LEU A 10 13.299 29.079 49.073 1.00 0.00 H ATOM 156 HB2 LEU A 10 13.721 30.318 51.170 1.00 0.00 H ATOM 157 HB3 LEU A 10 12.363 29.458 51.933 1.00 0.00 H ATOM 158 HG LEU A 10 13.741 27.323 51.444 1.00 0.00 H ATOM 159 HD21 LEU A 10 14.607 29.303 53.538 1.00 0.00 H ATOM 160 HD22 LEU A 10 13.257 28.148 53.653 1.00 0.00 H ATOM 161 HD23 LEU A 10 14.931 27.552 53.540 1.00 0.00 H ATOM 162 HD11 LEU A 10 15.351 28.390 49.947 1.00 0.00 H ATOM 163 HD12 LEU A 10 15.873 29.471 51.263 1.00 0.00 H ATOM 164 HD13 LEU A 10 16.164 27.718 51.382 1.00 0.00 H ATOM 165 H LEU A 10 11.506 31.070 50.204 1.00 0.00 H ATOM 166 N VAL A 11 12.233 26.858 49.318 1.00 9.18 N ATOM 167 CA VAL A 11 11.562 25.548 49.328 1.00 10.40 C ATOM 168 C VAL A 11 12.453 24.448 49.832 1.00 10.33 C ATOM 169 O VAL A 11 11.904 23.365 50.204 1.00 12.69 O ATOM 170 CB VAL A 11 11.035 25.209 47.937 1.00 11.19 C ATOM 171 CG1 VAL A 11 10.041 26.236 47.431 1.00 13.87 C ATOM 172 CG2 VAL A 11 12.118 24.942 46.940 1.00 13.31 C ATOM 173 HA VAL A 11 10.725 25.624 50.022 1.00 0.00 H ATOM 174 HB VAL A 11 10.496 24.269 48.052 1.00 0.00 H ATOM 175 HG11 VAL A 11 9.191 26.283 48.112 1.00 0.00 H ATOM 176 HG12 VAL A 11 10.523 27.212 47.381 1.00 0.00 H ATOM 177 HG13 VAL A 11 9.697 25.948 46.438 1.00 0.00 H ATOM 178 HG21 VAL A 11 12.749 25.826 46.845 1.00 0.00 H ATOM 179 HG22 VAL A 11 12.720 24.098 47.277 1.00 0.00 H ATOM 180 HG23 VAL A 11 11.671 24.708 45.974 1.00 0.00 H ATOM 181 H VAL A 11 13.155 26.951 48.846 1.00 0.00 H ATOM 182 N ASP A 12 13.769 24.640 49.965 1.00 7.93 N ATOM 183 CA ASP A 12 14.611 23.549 50.574 1.00 7.61 C ATOM 184 C ASP A 12 15.854 24.226 51.175 1.00 7.29 C ATOM 185 O ASP A 12 16.307 25.252 50.634 1.00 8.85 O ATOM 186 CB ASP A 12 15.075 22.591 49.461 1.00 10.33 C ATOM 187 CG ASP A 12 15.771 21.356 49.960 1.00 13.27 C ATOM 188 OD1 ASP A 12 15.219 20.560 50.754 1.00 14.85 O ATOM 189 OD2 ASP A 12 17.003 21.194 49.672 1.00 17.49 O ATOM 190 HA ASP A 12 14.049 22.995 51.326 1.00 0.00 H ATOM 191 HB2 ASP A 12 14.200 22.283 48.889 1.00 0.00 H ATOM 192 HB3 ASP A 12 15.762 23.131 48.810 1.00 0.00 H ATOM 193 H ASP A 12 14.206 25.530 49.652 1.00 0.00 H ATOM 194 N SER A 13 16.440 23.564 52.164 1.00 7.56 N ATOM 195 CA SER A 13 17.674 24.102 52.763 1.00 6.86 C ATOM 196 C SER A 13 18.488 22.932 53.366 1.00 7.37 C ATOM 197 O SER A 13 17.888 22.080 54.008 1.00 9.29 O ATOM 198 CB SER A 13 17.333 25.063 53.868 1.00 8.80 C ATOM 199 OG SER A 13 18.546 25.598 54.511 1.00 9.76 O ATOM 200 HA SER A 13 18.250 24.618 51.995 1.00 0.00 H ATOM 201 HB2 SER A 13 16.734 24.544 54.617 1.00 0.00 H ATOM 202 HB3 SER A 13 16.757 25.890 53.453 1.00 0.00 H ATOM 203 HG SER A 13 19.071 24.852 54.895 1.00 0.00 H ATOM 204 H SER A 13 16.032 22.673 52.513 1.00 0.00 H ATOM 205 N LYS A 14 19.762 22.895 53.053 1.00 8.46 N ATOM 206 CA LYS A 14 20.658 21.878 53.606 1.00 8.14 C ATOM 207 C LYS A 14 21.897 22.537 54.254 1.00 8.22 C ATOM 208 O LYS A 14 22.544 23.356 53.610 1.00 8.53 O ATOM 209 CB LYS A 14 21.169 20.957 52.452 1.00 9.84 C ATOM 210 CG LYS A 14 19.953 20.183 51.882 1.00 13.45 C ATOM 211 CD LYS A 14 20.364 19.233 50.801 1.00 15.62 C ATOM 212 CE LYS A 14 19.185 18.343 50.417 1.00 18.23 C ATOM 213 NZ LYS A 14 18.327 18.977 49.396 1.00 21.27 N ATOM 214 HA LYS A 14 20.105 21.309 54.353 1.00 0.00 H ATOM 215 HB2 LYS A 14 21.622 21.563 51.668 1.00 0.00 H ATOM 216 HB3 LYS A 14 21.907 20.254 52.839 1.00 0.00 H ATOM 217 HG2 LYS A 14 19.482 19.620 52.688 1.00 0.00 H ATOM 218 HG3 LYS A 14 19.238 20.897 51.473 1.00 0.00 H ATOM 219 HD2 LYS A 14 20.691 19.798 49.928 1.00 0.00 H ATOM 220 HD3 LYS A 14 21.185 18.612 51.158 1.00 0.00 H ATOM 221 HE2 LYS A 14 18.587 18.146 51.307 1.00 0.00 H ATOM 222 HE3 LYS A 14 19.567 17.402 50.022 1.00 0.00 H ATOM 223 HZ1 LYS A 14 17.952 19.873 49.768 1.00 0.00 H ATOM 224 HZ2 LYS A 14 18.888 19.163 48.540 1.00 0.00 H ATOM 225 HZ3 LYS A 14 17.539 18.340 49.163 1.00 0.00 H ATOM 226 H LYS A 14 20.144 23.605 52.396 1.00 0.00 H ATOM 227 N ASN A 15 22.149 22.160 55.463 1.00 6.06 N ATOM 228 CA ASN A 15 23.292 22.530 56.245 1.00 6.72 C ATOM 229 C ASN A 15 23.343 24.014 56.592 1.00 6.38 C ATOM 230 O ASN A 15 24.442 24.483 56.871 1.00 8.61 O ATOM 231 CB ASN A 15 24.617 22.118 55.583 1.00 8.53 C ATOM 232 CG ASN A 15 24.649 20.623 55.268 1.00 14.54 C ATOM 233 OD1 ASN A 15 24.126 19.804 55.966 1.00 15.63 O ATOM 234 ND2 ASN A 15 25.424 20.307 54.214 1.00 22.42 N ATOM 235 HA ASN A 15 23.170 21.975 57.175 1.00 0.00 H ATOM 236 HB2 ASN A 15 24.738 22.678 54.656 1.00 0.00 H ATOM 237 HB3 ASN A 15 25.439 22.355 56.259 1.00 0.00 H ATOM 238 HD22 ASN A 15 25.854 21.060 53.641 1.00 0.00 H ATOM 239 HD21 ASN A 15 25.592 19.309 53.973 1.00 0.00 H ATOM 240 H ASN A 15 21.457 21.527 55.912 1.00 0.00 H ATOM 241 N PHE A 16 22.196 24.652 56.780 1.00 6.85 N ATOM 242 CA PHE A 16 22.230 26.088 57.207 1.00 6.88 C ATOM 243 C PHE A 16 22.757 26.201 58.599 1.00 8.84 C ATOM 244 O PHE A 16 23.359 27.183 59.036 1.00 9.17 O ATOM 245 CB PHE A 16 20.915 26.747 56.949 1.00 6.10 C ATOM 246 CG PHE A 16 20.768 28.236 57.110 1.00 6.62 C ATOM 247 CD1 PHE A 16 21.740 29.096 56.611 1.00 9.73 C ATOM 248 CD2 PHE A 16 19.668 28.795 57.723 1.00 9.14 C ATOM 249 CE1 PHE A 16 21.586 30.469 56.640 1.00 12.77 C ATOM 250 CE2 PHE A 16 19.517 30.185 57.756 1.00 10.97 C ATOM 251 CZ PHE A 16 20.493 31.008 57.282 1.00 11.51 C ATOM 252 HA PHE A 16 22.935 26.654 56.598 1.00 0.00 H ATOM 253 HB2 PHE A 16 20.645 26.515 55.919 1.00 0.00 H ATOM 254 HB3 PHE A 16 20.195 26.286 57.625 1.00 0.00 H ATOM 255 HD2 PHE A 16 18.915 28.154 58.182 1.00 0.00 H ATOM 256 HE2 PHE A 16 18.604 30.616 58.167 1.00 0.00 H ATOM 257 HZ PHE A 16 20.410 32.087 57.410 1.00 0.00 H ATOM 258 HE1 PHE A 16 22.320 31.117 56.161 1.00 0.00 H ATOM 259 HD1 PHE A 16 22.650 28.675 56.184 1.00 0.00 H ATOM 260 H PHE A 16 21.289 24.165 56.634 1.00 0.00 H ATOM 261 N ASP A 17 22.450 25.173 59.431 1.00 8.66 N ATOM 262 CA ASP A 17 22.923 25.296 60.819 1.00 8.47 C ATOM 263 C ASP A 17 24.422 25.324 60.865 1.00 9.87 C ATOM 264 O ASP A 17 25.011 26.092 61.688 1.00 8.64 O ATOM 265 CB ASP A 17 22.345 24.200 61.686 1.00 10.39 C ATOM 266 CG ASP A 17 22.613 24.358 63.167 1.00 12.58 C ATOM 267 OD1 ASP A 17 22.150 25.348 63.764 1.00 12.69 O ATOM 268 OD2 ASP A 17 23.349 23.481 63.700 1.00 15.93 O ATOM 269 HA ASP A 17 22.568 26.243 61.226 1.00 0.00 H ATOM 270 HB2 ASP A 17 21.266 24.182 61.536 1.00 0.00 H ATOM 271 HB3 ASP A 17 22.772 23.250 61.363 1.00 0.00 H ATOM 272 H ASP A 17 21.911 24.345 59.106 1.00 0.00 H ATOM 273 N ASP A 18 25.078 24.511 60.062 1.00 10.54 N ATOM 274 CA ASP A 18 26.560 24.416 60.103 1.00 12.19 C ATOM 275 C ASP A 18 27.130 25.801 59.677 1.00 9.64 C ATOM 276 O ASP A 18 28.075 26.284 60.260 1.00 12.02 O ATOM 277 CB ASP A 18 26.982 23.392 59.025 1.00 16.05 C ATOM 278 CG ASP A 18 26.770 21.955 59.442 1.00 25.30 C ATOM 279 OD1 ASP A 18 26.644 21.624 60.625 1.00 31.24 O ATOM 280 OD2 ASP A 18 26.741 21.081 58.529 1.00 35.24 O ATOM 281 HA ASP A 18 26.915 24.128 61.092 1.00 0.00 H ATOM 282 HB2 ASP A 18 26.399 23.580 58.124 1.00 0.00 H ATOM 283 HB3 ASP A 18 28.040 23.536 58.808 1.00 0.00 H ATOM 284 H ASP A 18 24.548 23.924 59.386 1.00 0.00 H ATOM 285 N TYR A 19 26.541 26.399 58.679 1.00 9.17 N ATOM 286 CA TYR A 19 26.964 27.736 58.206 1.00 8.02 C ATOM 287 C TYR A 19 26.790 28.782 59.267 1.00 9.19 C ATOM 288 O TYR A 19 27.733 29.568 59.602 1.00 8.79 O ATOM 289 CB TYR A 19 26.215 28.081 56.899 1.00 7.87 C ATOM 290 CG TYR A 19 26.614 29.438 56.315 1.00 7.08 C ATOM 291 CD1 TYR A 19 27.762 29.629 55.596 1.00 7.19 C ATOM 292 CD2 TYR A 19 25.782 30.532 56.496 1.00 8.28 C ATOM 293 CE1 TYR A 19 28.123 30.861 55.098 1.00 7.74 C ATOM 294 CE2 TYR A 19 26.100 31.745 55.984 1.00 7.58 C ATOM 295 CZ TYR A 19 27.291 31.915 55.317 1.00 8.69 C ATOM 296 OH TYR A 19 27.606 33.159 54.789 1.00 10.03 O ATOM 297 HA TYR A 19 28.032 27.715 57.988 1.00 0.00 H ATOM 298 HB3 TYR A 19 25.145 28.094 57.106 1.00 0.00 H ATOM 299 HB2 TYR A 19 26.432 27.309 56.161 1.00 0.00 H ATOM 300 HD2 TYR A 19 24.857 30.414 57.060 1.00 0.00 H ATOM 301 HE2 TYR A 19 25.414 32.584 56.100 1.00 0.00 H ATOM 302 HE1 TYR A 19 29.052 30.989 54.542 1.00 0.00 H ATOM 303 HD1 TYR A 19 28.414 28.776 55.411 1.00 0.00 H ATOM 304 HH TYR A 19 28.489 33.113 54.345 1.00 0.00 H ATOM 305 H TYR A 19 25.750 25.922 58.201 1.00 0.00 H ATOM 306 N MET A 20 25.630 28.813 59.926 1.00 8.27 N ATOM 307 CA MET A 20 25.422 29.773 60.993 1.00 8.97 C ATOM 308 C MET A 20 26.393 29.553 62.126 1.00 9.78 C ATOM 309 O MET A 20 26.921 30.484 62.719 1.00 11.17 O ATOM 310 CB MET A 20 23.974 29.776 61.470 1.00 8.63 C ATOM 311 CG MET A 20 22.953 30.265 60.417 1.00 11.09 C ATOM 312 SD MET A 20 21.290 30.348 61.171 1.00 11.59 S ATOM 313 CE MET A 20 20.865 28.615 61.265 1.00 9.83 C ATOM 314 HA MET A 20 25.622 30.765 60.589 1.00 0.00 H ATOM 315 HB2 MET A 20 23.707 28.759 61.756 1.00 0.00 H ATOM 316 HB3 MET A 20 23.904 30.427 62.341 1.00 0.00 H ATOM 317 HG2 MET A 20 22.937 29.571 59.577 1.00 0.00 H ATOM 318 HG3 MET A 20 23.241 31.255 60.063 1.00 0.00 H ATOM 319 HE1 MET A 20 20.866 28.187 60.263 1.00 0.00 H ATOM 320 HE2 MET A 20 21.597 28.096 61.884 1.00 0.00 H ATOM 321 HE3 MET A 20 19.874 28.509 61.706 1.00 0.00 H ATOM 322 H MET A 20 24.873 28.147 59.674 1.00 0.00 H ATOM 323 N LYS A 21 26.609 28.263 62.528 1.00 10.64 N ATOM 324 CA LYS A 21 27.538 28.043 63.638 1.00 12.34 C ATOM 325 C LYS A 21 28.946 28.550 63.273 1.00 12.26 C ATOM 326 O LYS A 21 29.647 29.013 64.186 1.00 13.32 O ATOM 327 CB LYS A 21 27.703 26.505 63.901 1.00 17.26 C ATOM 328 CG LYS A 21 26.690 25.882 64.783 1.00 20.36 C ATOM 329 CD LYS A 21 26.842 24.333 64.838 1.00 26.99 C ATOM 330 CE LYS A 21 27.077 23.922 66.284 1.00 33.68 C ATOM 331 NZ LYS A 21 26.778 22.458 66.484 1.00 42.52 N ATOM 332 HA LYS A 21 27.135 28.567 64.504 1.00 0.00 H ATOM 333 HB2 LYS A 21 27.664 25.996 62.938 1.00 0.00 H ATOM 334 HB3 LYS A 21 28.682 26.348 64.354 1.00 0.00 H ATOM 335 HG2 LYS A 21 26.804 26.284 65.790 1.00 0.00 H ATOM 336 HG3 LYS A 21 25.697 26.126 64.406 1.00 0.00 H ATOM 337 HD2 LYS A 21 25.934 23.861 64.464 1.00 0.00 H ATOM 338 HD3 LYS A 21 27.689 24.024 64.225 1.00 0.00 H ATOM 339 HE2 LYS A 21 26.428 24.511 66.932 1.00 0.00 H ATOM 340 HE3 LYS A 21 28.118 24.113 66.545 1.00 0.00 H ATOM 341 HZ1 LYS A 21 25.784 22.272 66.241 1.00 0.00 H ATOM 342 HZ2 LYS A 21 27.398 21.892 65.870 1.00 0.00 H ATOM 343 HZ3 LYS A 21 26.946 22.204 67.478 1.00 0.00 H ATOM 344 H LYS A 21 26.130 27.467 62.061 1.00 0.00 H ATOM 345 N SER A 22 29.369 28.344 62.041 1.00 10.67 N ATOM 346 CA SER A 22 30.701 28.767 61.602 1.00 11.64 C ATOM 347 C SER A 22 30.869 30.294 61.757 1.00 12.11 C ATOM 348 O SER A 22 31.978 30.768 62.048 1.00 15.09 O ATOM 349 CB SER A 22 30.964 28.288 60.189 1.00 13.37 C ATOM 350 OG SER A 22 32.306 28.535 59.771 1.00 14.98 O ATOM 351 HA SER A 22 31.454 28.306 62.241 1.00 0.00 H ATOM 352 HB2 SER A 22 30.285 28.806 59.512 1.00 0.00 H ATOM 353 HB3 SER A 22 30.774 27.216 60.142 1.00 0.00 H ATOM 354 HG SER A 22 32.931 28.062 60.376 1.00 0.00 H ATOM 355 H SER A 22 28.740 27.868 61.363 1.00 0.00 H ATOM 356 N LEU A 23 29.783 31.026 61.577 1.00 10.38 N ATOM 357 CA LEU A 23 29.835 32.497 61.632 1.00 12.48 C ATOM 358 C LEU A 23 29.702 32.997 63.075 1.00 14.22 C ATOM 359 O LEU A 23 29.744 34.177 63.354 1.00 18.68 O ATOM 360 CB LEU A 23 28.694 33.121 60.822 1.00 12.16 C ATOM 361 CG LEU A 23 28.713 33.061 59.321 1.00 13.84 C ATOM 362 CD1 LEU A 23 27.419 33.665 58.725 1.00 15.00 C ATOM 363 CD2 LEU A 23 29.896 33.829 58.702 1.00 15.57 C ATOM 364 HA LEU A 23 30.798 32.792 61.215 1.00 0.00 H ATOM 365 HB2 LEU A 23 27.775 32.631 61.144 1.00 0.00 H ATOM 366 HB3 LEU A 23 28.656 34.176 61.094 1.00 0.00 H ATOM 367 HG LEU A 23 28.805 32.002 59.079 1.00 0.00 H ATOM 368 HD21 LEU A 23 29.837 34.878 58.991 1.00 0.00 H ATOM 369 HD22 LEU A 23 30.832 33.403 59.063 1.00 0.00 H ATOM 370 HD23 LEU A 23 29.852 33.747 57.616 1.00 0.00 H ATOM 371 HD11 LEU A 23 26.557 33.104 59.087 1.00 0.00 H ATOM 372 HD12 LEU A 23 27.331 34.707 59.033 1.00 0.00 H ATOM 373 HD13 LEU A 23 27.460 33.608 57.637 1.00 0.00 H ATOM 374 H LEU A 23 28.875 30.554 61.393 1.00 0.00 H ATOM 375 N GLY A 24 29.388 32.059 63.988 1.00 14.21 N ATOM 376 CA GLY A 24 29.289 32.432 65.387 1.00 16.00 C ATOM 377 C GLY A 24 27.934 32.756 65.872 1.00 15.80 C ATOM 378 O GLY A 24 27.735 33.341 66.943 1.00 18.44 O ATOM 379 HA3 GLY A 24 29.919 33.307 65.545 1.00 0.00 H ATOM 380 HA2 GLY A 24 29.668 31.601 65.982 1.00 0.00 H ATOM 381 H GLY A 24 29.218 31.076 63.694 1.00 0.00 H ATOM 382 N VAL A 25 26.913 32.442 65.046 1.00 12.15 N ATOM 383 CA VAL A 25 25.563 32.752 65.455 1.00 11.21 C ATOM 384 C VAL A 25 25.088 31.882 66.608 1.00 11.82 C ATOM 385 O VAL A 25 25.267 30.681 66.621 1.00 14.09 O ATOM 386 CB VAL A 25 24.605 32.544 64.257 1.00 12.49 C ATOM 387 CG1 VAL A 25 23.211 32.776 64.703 1.00 12.49 C ATOM 388 CG2 VAL A 25 25.048 33.452 63.126 1.00 13.78 C ATOM 389 HA VAL A 25 25.559 33.789 65.791 1.00 0.00 H ATOM 390 HB VAL A 25 24.639 31.522 63.879 1.00 0.00 H ATOM 391 HG11 VAL A 25 22.963 32.072 65.497 1.00 0.00 H ATOM 392 HG12 VAL A 25 23.115 33.796 65.076 1.00 0.00 H ATOM 393 HG13 VAL A 25 22.533 32.631 63.862 1.00 0.00 H ATOM 394 HG21 VAL A 25 25.010 34.489 63.459 1.00 0.00 H ATOM 395 HG22 VAL A 25 26.068 33.199 62.837 1.00 0.00 H ATOM 396 HG23 VAL A 25 24.383 33.318 62.273 1.00 0.00 H ATOM 397 H VAL A 25 27.096 31.984 64.130 1.00 0.00 H ATOM 398 N GLY A 26 24.401 32.517 67.570 1.00 13.40 N ATOM 399 CA GLY A 26 24.084 31.800 68.796 1.00 16.28 C ATOM 400 C GLY A 26 22.916 30.860 68.645 1.00 15.06 C ATOM 401 O GLY A 26 22.140 30.939 67.706 1.00 15.17 O ATOM 402 HA3 GLY A 26 23.846 32.527 69.572 1.00 0.00 H ATOM 403 HA2 GLY A 26 24.958 31.222 69.096 1.00 0.00 H ATOM 404 H GLY A 26 24.100 33.504 67.442 1.00 0.00 H ATOM 405 N PHE A 27 22.795 29.926 69.624 1.00 15.79 N ATOM 406 CA PHE A 27 21.832 28.848 69.491 1.00 14.26 C ATOM 407 C PHE A 27 20.424 29.304 69.338 1.00 14.03 C ATOM 408 O PHE A 27 19.612 28.717 68.554 1.00 13.97 O ATOM 409 CB PHE A 27 22.027 27.806 70.588 1.00 16.21 C ATOM 410 CG PHE A 27 21.464 28.186 71.932 1.00 22.16 C ATOM 411 CD1 PHE A 27 20.118 28.048 72.198 1.00 22.63 C ATOM 412 CD2 PHE A 27 22.291 28.681 72.943 1.00 25.42 C ATOM 413 CE1 PHE A 27 19.587 28.423 73.398 1.00 26.75 C ATOM 414 CE2 PHE A 27 21.762 29.035 74.155 1.00 27.01 C ATOM 415 CZ PHE A 27 20.411 28.899 74.404 1.00 26.07 C ATOM 416 HA PHE A 27 22.040 28.357 68.541 1.00 0.00 H ATOM 417 HB2 PHE A 27 21.545 26.883 70.268 1.00 0.00 H ATOM 418 HB3 PHE A 27 23.097 27.634 70.705 1.00 0.00 H ATOM 419 HD2 PHE A 27 23.361 28.786 72.766 1.00 0.00 H ATOM 420 HE2 PHE A 27 22.416 29.429 74.933 1.00 0.00 H ATOM 421 HZ PHE A 27 19.999 29.162 75.378 1.00 0.00 H ATOM 422 HE1 PHE A 27 18.512 28.348 73.565 1.00 0.00 H ATOM 423 HD1 PHE A 27 19.464 27.630 71.433 1.00 0.00 H ATOM 424 H PHE A 27 23.394 29.984 70.472 1.00 0.00 H ATOM 425 N ALA A 28 20.018 30.341 70.065 1.00 15.11 N ATOM 426 CA ALA A 28 18.626 30.735 70.026 1.00 15.71 C ATOM 427 C ALA A 28 18.230 31.295 68.670 1.00 15.88 C ATOM 428 O ALA A 28 17.131 31.030 68.176 1.00 17.72 O ATOM 429 CB ALA A 28 18.319 31.733 71.137 1.00 17.34 C ATOM 430 HA ALA A 28 18.029 29.838 70.189 1.00 0.00 H ATOM 431 HB1 ALA A 28 18.530 31.275 72.103 1.00 0.00 H ATOM 432 HB2 ALA A 28 18.941 32.619 71.010 1.00 0.00 H ATOM 433 HB3 ALA A 28 17.267 32.016 71.089 1.00 0.00 H ATOM 434 H ALA A 28 20.695 30.864 70.656 1.00 0.00 H ATOM 435 N THR A 29 19.150 32.042 68.038 1.00 14.51 N ATOM 436 CA THR A 29 18.841 32.564 66.700 1.00 13.69 C ATOM 437 C THR A 29 18.868 31.467 65.668 1.00 12.34 C ATOM 438 O THR A 29 18.057 31.443 64.722 1.00 13.61 O ATOM 439 CB THR A 29 19.911 33.640 66.348 1.00 14.66 C ATOM 440 OG1 THR A 29 19.783 34.723 67.261 1.00 19.08 O ATOM 441 CG2 THR A 29 19.681 34.174 64.940 1.00 16.45 C ATOM 442 HA THR A 29 17.839 32.994 66.700 1.00 0.00 H ATOM 443 HB THR A 29 20.902 33.190 66.408 1.00 0.00 H ATOM 444 HG1 THR A 29 19.926 34.394 68.184 1.00 0.00 H ATOM 445 HG23 THR A 29 19.775 33.358 64.223 1.00 0.00 H ATOM 446 HG21 THR A 29 18.681 34.604 64.874 1.00 0.00 H ATOM 447 HG22 THR A 29 20.423 34.941 64.718 1.00 0.00 H ATOM 448 H THR A 29 20.065 32.247 68.488 1.00 0.00 H ATOM 449 N ARG A 30 19.758 30.480 65.872 1.00 11.18 N ATOM 450 CA ARG A 30 19.749 29.341 64.911 1.00 10.42 C ATOM 451 C ARG A 30 18.445 28.579 65.002 1.00 10.79 C ATOM 452 O ARG A 30 17.952 28.100 63.970 1.00 11.56 O ATOM 453 CB ARG A 30 20.928 28.403 65.252 1.00 11.48 C ATOM 454 CG ARG A 30 22.277 29.055 64.981 1.00 12.70 C ATOM 455 CD ARG A 30 23.414 28.085 64.857 1.00 16.13 C ATOM 456 NE ARG A 30 23.381 26.953 65.787 1.00 17.44 N ATOM 457 CZ ARG A 30 24.107 26.873 66.876 1.00 17.84 C ATOM 458 NH1 ARG A 30 24.895 27.882 67.243 1.00 20.38 N ATOM 459 NH2 ARG A 30 24.046 25.814 67.689 1.00 23.76 N ATOM 460 HA ARG A 30 19.851 29.721 63.895 1.00 0.00 H ATOM 461 HB2 ARG A 30 20.872 28.137 66.308 1.00 0.00 H ATOM 462 HB3 ARG A 30 20.846 27.500 64.646 1.00 0.00 H ATOM 463 HG2 ARG A 30 22.204 29.618 64.050 1.00 0.00 H ATOM 464 HG3 ARG A 30 22.498 29.738 65.801 1.00 0.00 H ATOM 465 HD2 ARG A 30 24.342 28.631 65.025 1.00 0.00 H ATOM 466 HD3 ARG A 30 23.407 27.687 63.842 1.00 0.00 H ATOM 467 HE ARG A 30 22.741 26.163 65.569 1.00 0.00 H ATOM 468 HH12 ARG A 30 25.466 27.807 68.109 1.00 0.00 H ATOM 469 HH11 ARG A 30 24.939 28.745 66.664 1.00 0.00 H ATOM 470 HH22 ARG A 30 24.635 25.781 68.545 1.00 0.00 H ATOM 471 HH21 ARG A 30 23.409 25.023 67.465 1.00 0.00 H ATOM 472 H ARG A 30 20.426 30.510 66.669 1.00 0.00 H ATOM 473 N GLN A 31 17.834 28.458 66.159 1.00 12.97 N ATOM 474 CA GLN A 31 16.531 27.737 66.269 1.00 12.69 C ATOM 475 C GLN A 31 15.507 28.407 65.346 1.00 12.69 C ATOM 476 O GLN A 31 14.815 27.765 64.558 1.00 14.70 O ATOM 477 CB GLN A 31 16.016 27.958 67.709 1.00 18.67 C ATOM 478 CG GLN A 31 16.628 27.006 68.727 1.00 23.28 C ATOM 479 CD GLN A 31 15.868 27.072 70.050 1.00 24.53 C ATOM 480 OE1 GLN A 31 14.715 27.519 70.048 1.00 32.04 O ATOM 481 NE2 GLN A 31 16.533 26.687 71.127 1.00 28.92 N ATOM 482 HA GLN A 31 16.658 26.685 66.015 1.00 0.00 H ATOM 483 HB2 GLN A 31 16.252 28.980 68.007 1.00 0.00 H ATOM 484 HB3 GLN A 31 14.935 27.820 67.714 1.00 0.00 H ATOM 485 HG2 GLN A 31 16.583 25.989 68.338 1.00 0.00 H ATOM 486 HG3 GLN A 31 17.668 27.283 68.897 1.00 0.00 H ATOM 487 HE22 GLN A 31 17.503 26.322 71.037 1.00 0.00 H ATOM 488 HE21 GLN A 31 16.086 26.749 72.064 1.00 0.00 H ATOM 489 H GLN A 31 18.264 28.871 67.011 1.00 0.00 H ATOM 490 N VAL A 32 15.344 29.734 65.540 1.00 12.41 N ATOM 491 CA VAL A 32 14.309 30.424 64.747 1.00 13.46 C ATOM 492 C VAL A 32 14.576 30.392 63.274 1.00 12.11 C ATOM 493 O VAL A 32 13.710 30.195 62.413 1.00 12.51 O ATOM 494 CB VAL A 32 14.115 31.848 65.283 1.00 16.11 C ATOM 495 CG1 VAL A 32 13.053 32.583 64.467 1.00 17.85 C ATOM 496 CG2 VAL A 32 13.704 31.791 66.746 1.00 22.19 C ATOM 497 HA VAL A 32 13.373 29.878 64.867 1.00 0.00 H ATOM 498 HB VAL A 32 15.056 32.392 65.195 1.00 0.00 H ATOM 499 HG11 VAL A 32 13.369 32.635 63.425 1.00 0.00 H ATOM 500 HG12 VAL A 32 12.107 32.045 64.535 1.00 0.00 H ATOM 501 HG13 VAL A 32 12.928 33.592 64.861 1.00 0.00 H ATOM 502 HG21 VAL A 32 12.769 31.238 66.838 1.00 0.00 H ATOM 503 HG22 VAL A 32 14.482 31.290 67.321 1.00 0.00 H ATOM 504 HG23 VAL A 32 13.567 32.804 67.123 1.00 0.00 H ATOM 505 H VAL A 32 15.929 30.252 66.226 1.00 0.00 H ATOM 506 N ALA A 33 15.833 30.644 62.889 1.00 12.23 N ATOM 507 CA ALA A 33 16.263 30.599 61.524 1.00 12.82 C ATOM 508 C ALA A 33 16.036 29.294 60.813 1.00 13.70 C ATOM 509 O ALA A 33 15.731 29.247 59.609 1.00 17.44 O ATOM 510 CB ALA A 33 17.701 31.081 61.398 1.00 14.67 C ATOM 511 HA ALA A 33 15.607 31.290 60.995 1.00 0.00 H ATOM 512 HB1 ALA A 33 17.771 32.108 61.757 1.00 0.00 H ATOM 513 HB2 ALA A 33 18.351 30.441 61.994 1.00 0.00 H ATOM 514 HB3 ALA A 33 18.007 31.038 60.353 1.00 0.00 H ATOM 515 H ALA A 33 16.533 30.885 63.619 1.00 0.00 H ATOM 516 N SER A 34 16.093 28.179 61.526 1.00 13.31 N ATOM 517 CA SER A 34 15.924 26.885 60.889 1.00 14.69 C ATOM 518 C SER A 34 14.495 26.638 60.455 1.00 16.89 C ATOM 519 O SER A 34 14.273 25.687 59.677 1.00 16.67 O ATOM 520 CB SER A 34 16.389 25.762 61.829 1.00 16.09 C ATOM 521 OG SER A 34 15.498 25.710 62.948 1.00 19.47 O ATOM 522 HA SER A 34 16.541 26.888 59.991 1.00 0.00 H ATOM 523 HB2 SER A 34 17.402 25.967 62.174 1.00 0.00 H ATOM 524 HB3 SER A 34 16.372 24.809 61.300 1.00 0.00 H ATOM 525 HG SER A 34 15.516 26.578 63.423 1.00 0.00 H ATOM 526 H SER A 34 16.260 28.231 62.551 1.00 0.00 H ATOM 527 N MET A 35 13.562 27.389 61.022 1.00 16.17 N ATOM 528 CA MET A 35 12.135 27.235 60.737 1.00 19.06 C ATOM 529 C MET A 35 11.589 28.416 59.944 1.00 17.79 C ATOM 530 O MET A 35 10.347 28.474 59.774 1.00 24.32 O ATOM 531 CB MET A 35 11.308 27.154 62.045 1.00 19.54 C ATOM 532 CG MET A 35 11.646 25.947 62.875 1.00 24.28 C ATOM 533 SD MET A 35 11.075 24.407 62.220 1.00 26.55 S ATOM 534 CE MET A 35 9.321 24.530 62.366 1.00 36.29 C ATOM 535 HA MET A 35 12.043 26.314 60.161 1.00 0.00 H ATOM 536 HB2 MET A 35 11.502 28.049 62.636 1.00 0.00 H ATOM 537 HB3 MET A 35 10.250 27.114 61.786 1.00 0.00 H ATOM 538 HG2 MET A 35 11.203 26.080 63.862 1.00 0.00 H ATOM 539 HG3 MET A 35 12.731 25.894 62.969 1.00 0.00 H ATOM 540 HE1 MET A 35 9.053 24.662 63.414 1.00 0.00 H ATOM 541 HE2 MET A 35 8.969 25.385 61.789 1.00 0.00 H ATOM 542 HE3 MET A 35 8.861 23.618 61.985 1.00 0.00 H ATOM 543 H MET A 35 13.857 28.121 61.700 1.00 0.00 H ATOM 544 N THR A 36 12.425 29.301 59.477 1.00 14.71 N ATOM 545 CA THR A 36 12.009 30.459 58.689 1.00 13.66 C ATOM 546 C THR A 36 12.139 30.197 57.199 1.00 14.11 C ATOM 547 O THR A 36 13.127 29.590 56.772 1.00 14.97 O ATOM 548 CB THR A 36 12.830 31.688 59.097 1.00 16.79 C ATOM 549 OG1 THR A 36 12.632 31.905 60.537 1.00 20.35 O ATOM 550 CG2 THR A 36 12.357 32.933 58.409 1.00 25.88 C ATOM 551 HA THR A 36 10.955 30.649 58.894 1.00 0.00 H ATOM 552 HB THR A 36 13.870 31.502 58.828 1.00 0.00 H ATOM 553 HG1 THR A 36 12.939 31.106 61.035 1.00 0.00 H ATOM 554 HG23 THR A 36 12.484 32.822 57.332 1.00 0.00 H ATOM 555 HG21 THR A 36 11.304 33.095 58.638 1.00 0.00 H ATOM 556 HG22 THR A 36 12.941 33.784 58.759 1.00 0.00 H ATOM 557 H THR A 36 13.438 29.176 59.675 1.00 0.00 H ATOM 558 N LYS A 37 11.134 30.598 56.409 1.00 12.59 N ATOM 559 CA LYS A 37 11.149 30.479 54.977 1.00 13.28 C ATOM 560 C LYS A 37 11.063 31.861 54.304 1.00 11.99 C ATOM 561 O LYS A 37 10.013 32.432 54.149 1.00 13.70 O ATOM 562 CB LYS A 37 9.967 29.622 54.480 1.00 15.69 C ATOM 563 CG LYS A 37 10.001 28.203 55.049 1.00 22.15 C ATOM 564 CD LYS A 37 8.909 27.340 54.450 1.00 28.66 C ATOM 565 CE LYS A 37 9.239 25.870 54.650 1.00 36.03 C ATOM 566 NZ LYS A 37 10.663 25.578 54.236 1.00 51.85 N ATOM 567 HA LYS A 37 12.090 29.999 54.709 1.00 0.00 H ATOM 568 HB2 LYS A 37 9.035 30.100 54.783 1.00 0.00 H ATOM 569 HB3 LYS A 37 10.008 29.565 53.392 1.00 0.00 H ATOM 570 HG2 LYS A 37 10.969 27.755 54.827 1.00 0.00 H ATOM 571 HG3 LYS A 37 9.863 28.250 56.129 1.00 0.00 H ATOM 572 HD2 LYS A 37 7.961 27.567 54.938 1.00 0.00 H ATOM 573 HD3 LYS A 37 8.827 27.550 53.384 1.00 0.00 H ATOM 574 HE2 LYS A 37 8.560 25.266 54.048 1.00 0.00 H ATOM 575 HE3 LYS A 37 9.113 25.615 55.702 1.00 0.00 H ATOM 576 HZ1 LYS A 37 10.786 25.816 53.231 1.00 0.00 H ATOM 577 HZ2 LYS A 37 11.314 26.150 54.811 1.00 0.00 H ATOM 578 HZ3 LYS A 37 10.865 24.568 54.382 1.00 0.00 H ATOM 579 H LYS A 37 10.296 31.019 56.858 1.00 0.00 H ATOM 580 N PRO A 38 12.243 32.380 53.956 1.00 9.44 N ATOM 581 CA PRO A 38 12.261 33.755 53.462 1.00 8.93 C ATOM 582 C PRO A 38 11.683 33.894 52.052 1.00 9.09 C ATOM 583 O PRO A 38 11.722 32.946 51.296 1.00 10.00 O ATOM 584 CB PRO A 38 13.689 34.193 53.506 1.00 8.33 C ATOM 585 CG PRO A 38 14.420 33.136 54.288 1.00 11.79 C ATOM 586 CD PRO A 38 13.601 31.892 54.254 1.00 11.49 C ATOM 587 HA PRO A 38 11.624 34.382 54.086 1.00 0.00 H ATOM 588 HD3 PRO A 38 13.952 31.216 53.474 1.00 0.00 H ATOM 589 HD2 PRO A 38 13.629 31.381 55.216 1.00 0.00 H ATOM 590 HG3 PRO A 38 14.554 33.464 55.319 1.00 0.00 H ATOM 591 HG2 PRO A 38 15.395 32.950 53.838 1.00 0.00 H ATOM 592 HB2 PRO A 38 14.095 34.267 52.497 1.00 0.00 H ATOM 593 HB3 PRO A 38 13.774 35.160 54.002 1.00 0.00 H ATOM 594 N THR A 39 11.373 35.141 51.720 1.00 8.16 N ATOM 595 CA THR A 39 11.078 35.591 50.386 1.00 8.37 C ATOM 596 C THR A 39 12.180 36.545 49.905 1.00 8.53 C ATOM 597 O THR A 39 12.470 37.474 50.691 1.00 10.42 O ATOM 598 CB THR A 39 9.751 36.426 50.398 1.00 12.06 C ATOM 599 OG1 THR A 39 8.701 35.463 50.718 1.00 15.44 O ATOM 600 CG2 THR A 39 9.481 36.901 48.976 1.00 13.04 C ATOM 601 HA THR A 39 10.998 34.717 49.740 1.00 0.00 H ATOM 602 HB THR A 39 9.799 37.268 51.089 1.00 0.00 H ATOM 603 HG1 THR A 39 8.886 35.057 51.602 1.00 0.00 H ATOM 604 HG23 THR A 39 10.241 37.626 48.686 1.00 0.00 H ATOM 605 HG21 THR A 39 9.513 36.049 48.297 1.00 0.00 H ATOM 606 HG22 THR A 39 8.497 37.367 48.931 1.00 0.00 H ATOM 607 H THR A 39 11.341 35.847 52.483 1.00 0.00 H ATOM 608 N THR A 40 12.786 36.252 48.798 1.00 7.48 N ATOM 609 CA THR A 40 13.841 37.174 48.267 1.00 8.63 C ATOM 610 C THR A 40 13.310 37.858 47.016 1.00 7.33 C ATOM 611 O THR A 40 12.727 37.194 46.145 1.00 10.00 O ATOM 612 CB THR A 40 15.056 36.306 47.869 1.00 11.03 C ATOM 613 OG1 THR A 40 15.608 35.734 49.072 1.00 11.95 O ATOM 614 CG2 THR A 40 16.119 37.164 47.207 1.00 12.91 C ATOM 615 HA THR A 40 14.115 37.921 49.012 1.00 0.00 H ATOM 616 HB THR A 40 14.740 35.530 47.172 1.00 0.00 H ATOM 617 HG1 THR A 40 16.390 35.172 48.840 1.00 0.00 H ATOM 618 HG23 THR A 40 15.714 37.603 46.295 1.00 0.00 H ATOM 619 HG21 THR A 40 16.421 37.957 47.890 1.00 0.00 H ATOM 620 HG22 THR A 40 16.982 36.546 46.962 1.00 0.00 H ATOM 621 H THR A 40 12.542 35.383 48.282 1.00 0.00 H ATOM 622 N ILE A 41 13.444 39.179 46.954 1.00 6.87 N ATOM 623 CA ILE A 41 12.997 39.976 45.826 1.00 7.80 C ATOM 624 C ILE A 41 14.197 40.706 45.193 1.00 7.62 C ATOM 625 O ILE A 41 14.946 41.324 45.996 1.00 9.49 O ATOM 626 CB ILE A 41 11.964 41.044 46.282 1.00 11.47 C ATOM 627 CG1 ILE A 41 10.801 40.395 47.028 1.00 12.94 C ATOM 628 CG2 ILE A 41 11.465 41.766 45.028 1.00 13.77 C ATOM 629 CD1 ILE A 41 9.810 41.234 47.681 1.00 18.40 C ATOM 630 HA ILE A 41 12.534 39.305 45.103 1.00 0.00 H ATOM 631 HB ILE A 41 12.430 41.750 46.969 1.00 0.00 H ATOM 632 HG12 ILE A 41 10.267 39.777 46.306 1.00 0.00 H ATOM 633 HG13 ILE A 41 11.235 39.758 47.799 1.00 0.00 H ATOM 634 HD11 ILE A 41 10.299 41.853 48.433 1.00 0.00 H ATOM 635 HD12 ILE A 41 9.330 41.872 46.939 1.00 0.00 H ATOM 636 HD13 ILE A 41 9.060 40.604 48.159 1.00 0.00 H ATOM 637 HG21 ILE A 41 12.307 42.240 44.524 1.00 0.00 H ATOM 638 HG22 ILE A 41 10.998 41.045 44.357 1.00 0.00 H ATOM 639 HG23 ILE A 41 10.736 42.525 45.313 1.00 0.00 H ATOM 640 H ILE A 41 13.892 39.667 47.755 1.00 0.00 H ATOM 641 N ILE A 42 14.418 40.484 43.942 1.00 6.29 N ATOM 642 CA ILE A 42 15.501 41.108 43.199 1.00 7.42 C ATOM 643 C ILE A 42 14.937 41.981 42.082 1.00 7.03 C ATOM 644 O ILE A 42 14.146 41.546 41.248 1.00 8.00 O ATOM 645 CB ILE A 42 16.394 40.029 42.550 1.00 8.52 C ATOM 646 CG1 ILE A 42 16.820 38.967 43.586 1.00 10.54 C ATOM 647 CG2 ILE A 42 17.634 40.652 41.938 1.00 11.57 C ATOM 648 CD1 ILE A 42 17.667 37.879 43.037 1.00 12.09 C ATOM 649 HA ILE A 42 16.083 41.712 43.896 1.00 0.00 H ATOM 650 HB ILE A 42 15.808 39.549 41.767 1.00 0.00 H ATOM 651 HG12 ILE A 42 17.378 39.467 44.377 1.00 0.00 H ATOM 652 HG13 ILE A 42 15.919 38.519 44.006 1.00 0.00 H ATOM 653 HD11 ILE A 42 17.121 37.356 42.252 1.00 0.00 H ATOM 654 HD12 ILE A 42 18.581 38.305 42.624 1.00 0.00 H ATOM 655 HD13 ILE A 42 17.919 37.179 43.834 1.00 0.00 H ATOM 656 HG21 ILE A 42 17.339 41.371 41.173 1.00 0.00 H ATOM 657 HG22 ILE A 42 18.205 41.160 42.715 1.00 0.00 H ATOM 658 HG23 ILE A 42 18.247 39.871 41.487 1.00 0.00 H ATOM 659 H ILE A 42 13.790 39.825 43.439 1.00 0.00 H ATOM 660 N GLU A 43 15.364 43.252 42.091 1.00 8.19 N ATOM 661 CA GLU A 43 14.846 44.225 41.157 1.00 7.37 C ATOM 662 C GLU A 43 16.023 45.050 40.599 1.00 7.61 C ATOM 663 O GLU A 43 17.043 45.127 41.277 1.00 9.29 O ATOM 664 CB GLU A 43 13.929 45.197 41.950 1.00 12.78 C ATOM 665 CG GLU A 43 12.599 44.589 42.363 1.00 22.15 C ATOM 666 CD GLU A 43 11.779 45.595 43.200 1.00 23.32 C ATOM 667 OE1 GLU A 43 12.357 46.147 44.142 1.00 27.95 O ATOM 668 OE2 GLU A 43 10.573 45.695 42.920 1.00 34.93 O ATOM 669 HA GLU A 43 14.306 43.730 40.350 1.00 0.00 H ATOM 670 HB2 GLU A 43 14.458 45.511 42.850 1.00 0.00 H ATOM 671 HB3 GLU A 43 13.730 46.068 41.325 1.00 0.00 H ATOM 672 HG2 GLU A 43 12.034 44.321 41.470 1.00 0.00 H ATOM 673 HG3 GLU A 43 12.783 43.694 42.957 1.00 0.00 H ATOM 674 H GLU A 43 16.082 43.543 42.784 1.00 0.00 H ATOM 675 N LYS A 44 15.791 45.714 39.496 1.00 7.18 N ATOM 676 CA LYS A 44 16.802 46.554 38.860 1.00 7.56 C ATOM 677 C LYS A 44 16.191 47.878 38.392 1.00 7.88 C ATOM 678 O LYS A 44 15.027 47.918 38.042 1.00 9.15 O ATOM 679 CB LYS A 44 17.432 45.831 37.682 1.00 11.10 C ATOM 680 CG LYS A 44 16.930 46.135 36.325 1.00 17.63 C ATOM 681 CD LYS A 44 17.831 45.508 35.230 1.00 16.19 C ATOM 682 CE LYS A 44 17.023 45.384 33.960 1.00 18.72 C ATOM 683 NZ LYS A 44 17.840 44.999 32.764 1.00 21.04 N ATOM 684 HA LYS A 44 17.575 46.767 39.598 1.00 0.00 H ATOM 685 HB2 LYS A 44 18.497 46.063 37.692 1.00 0.00 H ATOM 686 HB3 LYS A 44 17.293 44.763 37.846 1.00 0.00 H ATOM 687 HG2 LYS A 44 15.920 45.737 36.224 1.00 0.00 H ATOM 688 HG3 LYS A 44 16.908 47.216 36.189 1.00 0.00 H ATOM 689 HD2 LYS A 44 18.697 46.147 35.055 1.00 0.00 H ATOM 690 HD3 LYS A 44 18.168 44.522 35.550 1.00 0.00 H ATOM 691 HE2 LYS A 44 16.548 46.344 33.758 1.00 0.00 H ATOM 692 HE3 LYS A 44 16.256 44.625 34.112 1.00 0.00 H ATOM 693 HZ1 LYS A 44 18.571 45.720 32.598 1.00 0.00 H ATOM 694 HZ2 LYS A 44 18.292 44.078 32.936 1.00 0.00 H ATOM 695 HZ3 LYS A 44 17.222 44.933 31.930 1.00 0.00 H ATOM 696 H LYS A 44 14.852 45.641 39.056 1.00 0.00 H ATOM 697 N ASN A 45 16.986 48.917 38.549 1.00 6.62 N ATOM 698 CA ASN A 45 16.658 50.259 38.036 1.00 7.20 C ATOM 699 C ASN A 45 17.912 50.802 37.344 1.00 8.36 C ATOM 700 O ASN A 45 18.838 51.201 38.083 1.00 8.85 O ATOM 701 CB ASN A 45 16.137 51.165 39.093 1.00 8.24 C ATOM 702 CG ASN A 45 15.588 52.498 38.655 1.00 10.51 C ATOM 703 OD1 ASN A 45 15.032 53.254 39.489 1.00 13.00 O ATOM 704 ND2 ASN A 45 15.836 52.845 37.433 1.00 9.46 N ATOM 705 HA ASN A 45 15.841 50.196 37.317 1.00 0.00 H ATOM 706 HB2 ASN A 45 15.337 50.636 39.612 1.00 0.00 H ATOM 707 HB3 ASN A 45 16.953 51.360 39.788 1.00 0.00 H ATOM 708 HD22 ASN A 45 16.300 52.175 36.786 1.00 0.00 H ATOM 709 HD21 ASN A 45 15.572 53.793 37.098 1.00 0.00 H ATOM 710 H ASN A 45 17.884 48.784 39.057 1.00 0.00 H ATOM 711 N GLY A 46 18.035 50.643 36.070 1.00 9.89 N ATOM 712 CA GLY A 46 19.292 50.985 35.359 1.00 11.60 C ATOM 713 C GLY A 46 20.390 50.046 35.817 1.00 11.93 C ATOM 714 O GLY A 46 20.186 48.828 35.801 1.00 13.04 O ATOM 715 HA3 GLY A 46 19.572 52.014 35.586 1.00 0.00 H ATOM 716 HA2 GLY A 46 19.145 50.879 34.284 1.00 0.00 H ATOM 717 H GLY A 46 17.233 50.265 35.527 1.00 0.00 H ATOM 718 N ASP A 47 21.511 50.575 36.256 1.00 11.82 N ATOM 719 CA ASP A 47 22.596 49.734 36.730 1.00 16.19 C ATOM 720 C ASP A 47 22.560 49.505 38.208 1.00 12.04 C ATOM 721 O ASP A 47 23.563 49.026 38.763 1.00 12.19 O ATOM 722 CB ASP A 47 23.958 50.300 36.283 1.00 22.35 C ATOM 723 CG ASP A 47 24.199 51.684 36.801 1.00 27.63 C ATOM 724 OD1 ASP A 47 23.403 52.197 37.598 1.00 30.08 O ATOM 725 OD2 ASP A 47 25.253 52.309 36.448 1.00 33.60 O ATOM 726 HA ASP A 47 22.457 48.755 36.271 1.00 0.00 H ATOM 727 HB2 ASP A 47 24.748 49.645 36.652 1.00 0.00 H ATOM 728 HB3 ASP A 47 23.987 50.324 35.194 1.00 0.00 H ATOM 729 H ASP A 47 21.622 51.609 36.264 1.00 0.00 H ATOM 730 N ILE A 48 21.459 49.834 38.904 1.00 10.29 N ATOM 731 CA ILE A 48 21.400 49.597 40.349 1.00 10.28 C ATOM 732 C ILE A 48 20.497 48.405 40.643 1.00 8.59 C ATOM 733 O ILE A 48 19.348 48.424 40.160 1.00 9.32 O ATOM 734 CB ILE A 48 20.900 50.802 41.118 1.00 12.11 C ATOM 735 CG1 ILE A 48 21.727 52.122 40.908 1.00 15.33 C ATOM 736 CG2 ILE A 48 20.851 50.501 42.603 1.00 13.49 C ATOM 737 CD1 ILE A 48 23.142 51.944 41.392 1.00 26.22 C ATOM 738 HA ILE A 48 22.419 49.395 40.679 1.00 0.00 H ATOM 739 HB ILE A 48 19.906 50.988 40.710 1.00 0.00 H ATOM 740 HG12 ILE A 48 21.740 52.372 39.847 1.00 0.00 H ATOM 741 HG13 ILE A 48 21.257 52.932 41.465 1.00 0.00 H ATOM 742 HD11 ILE A 48 23.133 51.697 42.454 1.00 0.00 H ATOM 743 HD12 ILE A 48 23.617 51.137 40.834 1.00 0.00 H ATOM 744 HD13 ILE A 48 23.697 52.869 41.237 1.00 0.00 H ATOM 745 HG21 ILE A 48 20.178 49.662 42.780 1.00 0.00 H ATOM 746 HG22 ILE A 48 21.851 50.246 42.954 1.00 0.00 H ATOM 747 HG23 ILE A 48 20.489 51.379 43.139 1.00 0.00 H ATOM 748 H ILE A 48 20.645 50.259 38.415 1.00 0.00 H ATOM 749 N LEU A 49 21.039 47.422 41.335 1.00 6.48 N ATOM 750 CA LEU A 49 20.261 46.263 41.790 1.00 8.08 C ATOM 751 C LEU A 49 19.859 46.433 43.234 1.00 7.94 C ATOM 752 O LEU A 49 20.631 46.987 44.067 1.00 10.21 O ATOM 753 CB LEU A 49 21.068 44.960 41.600 1.00 10.85 C ATOM 754 CG LEU A 49 21.312 44.556 40.123 1.00 17.02 C ATOM 755 CD1 LEU A 49 22.350 43.454 40.042 1.00 19.07 C ATOM 756 CD2 LEU A 49 20.030 43.986 39.485 1.00 24.95 C ATOM 757 HA LEU A 49 19.356 46.196 41.186 1.00 0.00 H ATOM 758 HB2 LEU A 49 22.037 45.088 42.081 1.00 0.00 H ATOM 759 HB3 LEU A 49 20.525 44.150 42.088 1.00 0.00 H ATOM 760 HG LEU A 49 21.639 45.455 39.601 1.00 0.00 H ATOM 761 HD21 LEU A 49 19.711 43.104 40.040 1.00 0.00 H ATOM 762 HD22 LEU A 49 19.244 44.741 39.516 1.00 0.00 H ATOM 763 HD23 LEU A 49 20.232 43.712 38.450 1.00 0.00 H ATOM 764 HD11 LEU A 49 23.287 43.806 40.474 1.00 0.00 H ATOM 765 HD12 LEU A 49 21.998 42.584 40.596 1.00 0.00 H ATOM 766 HD13 LEU A 49 22.509 43.183 38.998 1.00 0.00 H ATOM 767 H LEU A 49 22.052 47.469 41.566 1.00 0.00 H ATOM 768 N THR A 50 18.665 45.960 43.589 1.00 6.22 N ATOM 769 CA THR A 50 18.145 45.948 44.938 1.00 6.89 C ATOM 770 C THR A 50 17.721 44.492 45.308 1.00 6.27 C ATOM 771 O THR A 50 17.031 43.905 44.488 1.00 8.73 O ATOM 772 CB THR A 50 16.967 46.882 45.144 1.00 7.19 C ATOM 773 OG1 THR A 50 17.409 48.229 44.875 1.00 8.90 O ATOM 774 CG2 THR A 50 16.407 46.844 46.539 1.00 9.47 C ATOM 775 HA THR A 50 18.943 46.306 45.588 1.00 0.00 H ATOM 776 HB THR A 50 16.176 46.556 44.469 1.00 0.00 H ATOM 777 HG1 THR A 50 17.733 48.289 43.941 1.00 0.00 H ATOM 778 HG23 THR A 50 16.066 45.834 46.765 1.00 0.00 H ATOM 779 HG21 THR A 50 17.182 47.134 47.248 1.00 0.00 H ATOM 780 HG22 THR A 50 15.568 47.537 46.612 1.00 0.00 H ATOM 781 H THR A 50 18.061 45.569 42.838 1.00 0.00 H ATOM 782 N LEU A 51 18.265 44.005 46.381 1.00 7.19 N ATOM 783 CA LEU A 51 17.984 42.660 46.895 1.00 8.08 C ATOM 784 C LEU A 51 17.369 42.757 48.264 1.00 6.72 C ATOM 785 O LEU A 51 17.997 43.220 49.235 1.00 7.83 O ATOM 786 CB LEU A 51 19.259 41.827 46.832 1.00 10.82 C ATOM 787 CG LEU A 51 19.114 40.338 46.802 1.00 14.38 C ATOM 788 CD1 LEU A 51 20.313 39.621 46.197 1.00 16.99 C ATOM 789 CD2 LEU A 51 18.819 39.820 48.203 1.00 19.13 C ATOM 790 HA LEU A 51 17.248 42.143 46.279 1.00 0.00 H ATOM 791 HB2 LEU A 51 19.796 42.121 45.930 1.00 0.00 H ATOM 792 HB3 LEU A 51 19.857 42.079 47.708 1.00 0.00 H ATOM 793 HG LEU A 51 18.275 40.115 46.143 1.00 0.00 H ATOM 794 HD21 LEU A 51 19.639 40.089 48.869 1.00 0.00 H ATOM 795 HD22 LEU A 51 17.893 40.266 48.566 1.00 0.00 H ATOM 796 HD23 LEU A 51 18.715 38.735 48.173 1.00 0.00 H ATOM 797 HD11 LEU A 51 20.454 39.956 45.169 1.00 0.00 H ATOM 798 HD12 LEU A 51 21.204 39.850 46.781 1.00 0.00 H ATOM 799 HD13 LEU A 51 20.136 38.546 46.209 1.00 0.00 H ATOM 800 H LEU A 51 18.937 44.601 46.905 1.00 0.00 H ATOM 801 N LYS A 52 16.092 42.326 48.373 1.00 6.56 N ATOM 802 CA LYS A 52 15.336 42.399 49.632 1.00 6.08 C ATOM 803 C LYS A 52 15.142 40.935 50.115 1.00 7.87 C ATOM 804 O LYS A 52 14.823 40.110 49.265 1.00 9.44 O ATOM 805 CB LYS A 52 13.944 42.950 49.345 1.00 9.94 C ATOM 806 CG LYS A 52 13.917 44.410 48.913 1.00 10.36 C ATOM 807 CD LYS A 52 12.471 44.847 48.641 1.00 17.30 C ATOM 808 CE LYS A 52 12.437 46.340 48.292 1.00 21.28 C ATOM 809 NZ LYS A 52 11.228 46.613 47.424 1.00 25.55 N ATOM 810 HA LYS A 52 15.855 43.024 50.359 1.00 0.00 H ATOM 811 HB2 LYS A 52 13.498 42.352 48.550 1.00 0.00 H ATOM 812 HB3 LYS A 52 13.346 42.852 50.251 1.00 0.00 H ATOM 813 HG2 LYS A 52 14.339 45.029 49.704 1.00 0.00 H ATOM 814 HG3 LYS A 52 14.508 44.530 48.005 1.00 0.00 H ATOM 815 HD2 LYS A 52 12.069 44.271 47.808 1.00 0.00 H ATOM 816 HD3 LYS A 52 11.865 44.669 49.530 1.00 0.00 H ATOM 817 HE2 LYS A 52 13.344 46.611 47.752 1.00 0.00 H ATOM 818 HE3 LYS A 52 12.371 46.929 49.207 1.00 0.00 H ATOM 819 HZ1 LYS A 52 11.294 46.049 46.553 1.00 0.00 H ATOM 820 HZ2 LYS A 52 10.365 46.353 47.942 1.00 0.00 H ATOM 821 HZ3 LYS A 52 11.197 47.624 47.183 1.00 0.00 H ATOM 822 H LYS A 52 15.626 41.927 47.533 1.00 0.00 H ATOM 823 N THR A 53 15.429 40.706 51.384 1.00 6.58 N ATOM 824 CA THR A 53 15.090 39.369 51.933 1.00 7.34 C ATOM 825 C THR A 53 14.117 39.584 53.113 1.00 7.20 C ATOM 826 O THR A 53 14.443 40.345 54.007 1.00 8.96 O ATOM 827 CB THR A 53 16.374 38.707 52.485 1.00 7.49 C ATOM 828 OG1 THR A 53 17.318 38.681 51.387 1.00 9.93 O ATOM 829 CG2 THR A 53 16.129 37.235 52.831 1.00 11.72 C ATOM 830 HA THR A 53 14.649 38.740 51.160 1.00 0.00 H ATOM 831 HB THR A 53 16.710 39.253 53.367 1.00 0.00 H ATOM 832 HG1 THR A 53 18.163 38.264 51.690 1.00 0.00 H ATOM 833 HG23 THR A 53 15.421 37.170 53.658 1.00 0.00 H ATOM 834 HG21 THR A 53 15.721 36.722 51.960 1.00 0.00 H ATOM 835 HG22 THR A 53 17.071 36.769 53.120 1.00 0.00 H ATOM 836 H THR A 53 15.876 41.435 51.976 1.00 0.00 H ATOM 837 N HIS A 54 12.922 39.008 52.976 1.00 8.10 N ATOM 838 CA HIS A 54 11.834 39.269 53.942 1.00 7.91 C ATOM 839 C HIS A 54 11.494 37.972 54.675 1.00 8.61 C ATOM 840 O HIS A 54 11.388 36.931 54.038 1.00 10.14 O ATOM 841 CB HIS A 54 10.581 39.720 53.197 1.00 10.24 C ATOM 842 CG HIS A 54 10.696 41.082 52.565 1.00 11.82 C ATOM 843 ND1 HIS A 54 11.587 42.028 52.907 1.00 15.12 N ATOM 844 CD2 HIS A 54 9.871 41.646 51.668 1.00 12.12 C ATOM 845 CE1 HIS A 54 11.367 43.166 52.194 1.00 14.50 C ATOM 846 NE2 HIS A 54 10.330 42.920 51.424 1.00 16.67 N ATOM 847 HA HIS A 54 12.159 40.040 54.641 1.00 0.00 H ATOM 848 HB2 HIS A 54 10.370 38.995 52.411 1.00 0.00 H ATOM 849 HB3 HIS A 54 9.751 39.739 53.903 1.00 0.00 H ATOM 850 HD2 HIS A 54 8.996 41.179 51.215 1.00 0.00 H ATOM 851 HE1 HIS A 54 11.936 44.094 52.250 1.00 0.00 H ATOM 852 H HIS A 54 12.753 38.365 52.177 1.00 0.00 H ATOM 853 N SER A 55 11.186 38.110 55.943 1.00 10.29 N ATOM 854 CA SER A 55 10.686 36.930 56.681 1.00 11.17 C ATOM 855 C SER A 55 9.941 37.417 57.931 1.00 10.88 C ATOM 856 O SER A 55 9.984 38.593 58.242 1.00 14.28 O ATOM 857 CB SER A 55 11.832 36.036 57.076 1.00 12.29 C ATOM 858 OG SER A 55 12.601 36.583 58.132 1.00 11.50 O ATOM 859 HA SER A 55 10.011 36.356 56.046 1.00 0.00 H ATOM 860 HB2 SER A 55 12.478 35.891 56.210 1.00 0.00 H ATOM 861 HB3 SER A 55 11.432 35.073 57.395 1.00 0.00 H ATOM 862 HG SER A 55 12.975 37.455 57.849 1.00 0.00 H ATOM 863 H SER A 55 11.291 39.029 56.419 1.00 0.00 H ATOM 864 N THR A 56 9.423 36.454 58.702 1.00 14.12 N ATOM 865 CA THR A 56 8.770 36.830 59.974 1.00 16.92 C ATOM 866 C THR A 56 9.774 37.118 61.051 1.00 17.51 C ATOM 867 O THR A 56 9.487 37.646 62.120 1.00 24.13 O ATOM 868 CB THR A 56 7.862 35.655 60.432 1.00 19.15 C ATOM 869 OG1 THR A 56 8.615 34.427 60.300 1.00 24.14 O ATOM 870 CG2 THR A 56 6.667 35.545 59.509 1.00 19.41 C ATOM 871 HA THR A 56 8.187 37.736 59.806 1.00 0.00 H ATOM 872 HB THR A 56 7.537 35.826 61.458 1.00 0.00 H ATOM 873 HG1 THR A 56 9.424 34.475 60.868 1.00 0.00 H ATOM 874 HG23 THR A 56 6.071 36.455 59.579 1.00 0.00 H ATOM 875 HG21 THR A 56 7.012 35.413 58.484 1.00 0.00 H ATOM 876 HG22 THR A 56 6.061 34.688 59.802 1.00 0.00 H ATOM 877 H THR A 56 9.479 35.457 58.411 1.00 0.00 H ATOM 878 N PHE A 57 11.054 36.784 60.815 1.00 16.45 N ATOM 879 CA PHE A 57 12.028 37.023 61.923 1.00 17.39 C ATOM 880 C PHE A 57 12.835 38.284 61.663 1.00 17.81 C ATOM 881 O PHE A 57 12.972 39.159 62.511 1.00 18.98 O ATOM 882 CB PHE A 57 12.944 35.802 61.947 1.00 18.73 C ATOM 883 CG PHE A 57 14.088 35.842 62.948 1.00 22.68 C ATOM 884 CD1 PHE A 57 14.031 36.512 64.126 1.00 24.74 C ATOM 885 CD2 PHE A 57 15.253 35.123 62.663 1.00 25.82 C ATOM 886 CE1 PHE A 57 15.093 36.531 65.005 1.00 25.90 C ATOM 887 CE2 PHE A 57 16.313 35.089 63.537 1.00 26.28 C ATOM 888 CZ PHE A 57 16.247 35.821 64.712 1.00 26.91 C ATOM 889 HA PHE A 57 11.518 37.161 62.877 1.00 0.00 H ATOM 890 HB2 PHE A 57 12.331 34.930 62.176 1.00 0.00 H ATOM 891 HB3 PHE A 57 13.376 35.690 60.952 1.00 0.00 H ATOM 892 HD2 PHE A 57 15.322 34.575 61.723 1.00 0.00 H ATOM 893 HE2 PHE A 57 17.196 34.493 63.309 1.00 0.00 H ATOM 894 HZ PHE A 57 17.094 35.838 65.398 1.00 0.00 H ATOM 895 HE1 PHE A 57 15.025 37.104 65.930 1.00 0.00 H ATOM 896 HD1 PHE A 57 13.120 37.051 64.385 1.00 0.00 H ATOM 897 H PHE A 57 11.353 36.379 59.905 1.00 0.00 H ATOM 898 N LYS A 58 13.536 38.350 60.533 1.00 19.42 N ATOM 899 CA LYS A 58 14.353 39.534 60.226 1.00 19.23 C ATOM 900 C LYS A 58 14.123 39.936 58.754 1.00 15.48 C ATOM 901 O LYS A 58 13.749 39.069 57.976 1.00 12.16 O ATOM 902 CB LYS A 58 15.867 39.186 60.340 1.00 25.16 C ATOM 903 CG LYS A 58 16.360 38.823 61.710 1.00 31.70 C ATOM 904 CD LYS A 58 17.568 39.597 62.176 1.00 32.86 C ATOM 905 CE LYS A 58 17.949 40.707 61.210 1.00 36.67 C ATOM 906 NZ LYS A 58 18.281 41.984 61.899 1.00 45.25 N ATOM 907 HA LYS A 58 14.077 40.327 60.920 1.00 0.00 H ATOM 908 HB2 LYS A 58 16.065 38.342 59.680 1.00 0.00 H ATOM 909 HB3 LYS A 58 16.435 40.052 60.000 1.00 0.00 H ATOM 910 HG2 LYS A 58 15.551 38.999 62.419 1.00 0.00 H ATOM 911 HG3 LYS A 58 16.616 37.764 61.708 1.00 0.00 H ATOM 912 HD2 LYS A 58 17.349 40.038 63.148 1.00 0.00 H ATOM 913 HD3 LYS A 58 18.409 38.911 62.271 1.00 0.00 H ATOM 914 HE2 LYS A 58 17.112 40.883 60.534 1.00 0.00 H ATOM 915 HE3 LYS A 58 18.817 40.385 60.635 1.00 0.00 H ATOM 916 HZ1 LYS A 58 17.457 42.307 62.445 1.00 0.00 H ATOM 917 HZ2 LYS A 58 19.085 41.831 62.541 1.00 0.00 H ATOM 918 HZ3 LYS A 58 18.533 42.703 61.191 1.00 0.00 H ATOM 919 H LYS A 58 13.506 37.557 59.861 1.00 0.00 H ATOM 920 N ASN A 59 14.396 41.168 58.397 1.00 12.02 N ATOM 921 CA ASN A 59 14.332 41.644 57.030 1.00 12.47 C ATOM 922 C ASN A 59 15.605 42.449 56.701 1.00 9.97 C ATOM 923 O ASN A 59 16.113 43.166 57.560 1.00 11.54 O ATOM 924 CB ASN A 59 13.146 42.665 56.862 1.00 14.56 C ATOM 925 CG ASN A 59 11.823 41.983 57.151 1.00 18.04 C ATOM 926 OD1 ASN A 59 11.343 41.143 56.433 1.00 15.81 O ATOM 927 ND2 ASN A 59 11.247 42.400 58.284 1.00 23.74 N ATOM 928 HA ASN A 59 14.212 40.773 56.386 1.00 0.00 H ATOM 929 HB2 ASN A 59 13.283 43.494 57.556 1.00 0.00 H ATOM 930 HB3 ASN A 59 13.140 43.045 55.840 1.00 0.00 H ATOM 931 HD22 ASN A 59 11.709 43.129 58.864 1.00 0.00 H ATOM 932 HD21 ASN A 59 10.337 41.995 58.585 1.00 0.00 H ATOM 933 H ASN A 59 14.675 41.842 59.138 1.00 0.00 H ATOM 934 N THR A 60 16.118 42.190 55.522 1.00 8.08 N ATOM 935 CA THR A 60 17.275 42.941 55.012 1.00 7.82 C ATOM 936 C THR A 60 16.997 43.563 53.668 1.00 7.36 C ATOM 937 O THR A 60 16.174 43.064 52.869 1.00 8.01 O ATOM 938 CB THR A 60 18.529 42.086 55.010 1.00 7.18 C ATOM 939 OG1 THR A 60 18.330 40.974 54.141 1.00 7.96 O ATOM 940 CG2 THR A 60 18.895 41.580 56.380 1.00 8.60 C ATOM 941 HA THR A 60 17.457 43.769 55.697 1.00 0.00 H ATOM 942 HB THR A 60 19.351 42.715 54.667 1.00 0.00 H ATOM 943 HG1 THR A 60 18.147 41.301 53.225 1.00 0.00 H ATOM 944 HG23 THR A 60 19.049 42.426 57.049 1.00 0.00 H ATOM 945 HG21 THR A 60 18.088 40.954 56.762 1.00 0.00 H ATOM 946 HG22 THR A 60 19.812 40.994 56.317 1.00 0.00 H ATOM 947 H THR A 60 15.699 41.439 54.937 1.00 0.00 H ATOM 948 N GLU A 61 17.719 44.667 53.360 1.00 6.81 N ATOM 949 CA GLU A 61 17.654 45.213 51.981 1.00 7.27 C ATOM 950 C GLU A 61 19.019 45.836 51.636 1.00 5.77 C ATOM 951 O GLU A 61 19.534 46.592 52.501 1.00 8.49 O ATOM 952 CB GLU A 61 16.575 46.317 51.935 1.00 8.31 C ATOM 953 CG GLU A 61 16.502 47.028 50.617 1.00 9.07 C ATOM 954 CD GLU A 61 15.364 48.026 50.498 1.00 7.99 C ATOM 955 OE1 GLU A 61 14.229 47.685 51.001 1.00 7.88 O ATOM 956 OE2 GLU A 61 15.554 49.068 49.822 1.00 9.29 O ATOM 957 HA GLU A 61 17.410 44.423 51.271 1.00 0.00 H ATOM 958 HB2 GLU A 61 15.606 45.861 52.135 1.00 0.00 H ATOM 959 HB3 GLU A 61 16.798 47.050 52.711 1.00 0.00 H ATOM 960 HG2 GLU A 61 17.440 47.562 50.466 1.00 0.00 H ATOM 961 HG3 GLU A 61 16.382 46.280 49.833 1.00 0.00 H ATOM 962 H GLU A 61 18.312 45.126 54.081 1.00 0.00 H ATOM 963 N ILE A 62 19.596 45.531 50.530 1.00 7.50 N ATOM 964 CA ILE A 62 20.808 46.185 49.998 1.00 7.34 C ATOM 965 C ILE A 62 20.599 46.678 48.582 1.00 7.38 C ATOM 966 O ILE A 62 19.850 46.020 47.832 1.00 8.44 O ATOM 967 CB ILE A 62 21.988 45.210 50.029 1.00 8.39 C ATOM 968 CG1 ILE A 62 21.714 43.884 49.302 1.00 9.97 C ATOM 969 CG2 ILE A 62 22.406 44.988 51.446 1.00 11.92 C ATOM 970 CD1 ILE A 62 23.008 43.021 49.153 1.00 14.84 C ATOM 971 HA ILE A 62 21.023 47.046 50.631 1.00 0.00 H ATOM 972 HB ILE A 62 22.806 45.668 49.473 1.00 0.00 H ATOM 973 HG12 ILE A 62 20.976 43.317 49.869 1.00 0.00 H ATOM 974 HG13 ILE A 62 21.319 44.101 48.310 1.00 0.00 H ATOM 975 HD11 ILE A 62 23.750 43.577 48.580 1.00 0.00 H ATOM 976 HD12 ILE A 62 23.407 42.792 50.141 1.00 0.00 H ATOM 977 HD13 ILE A 62 22.767 42.094 48.634 1.00 0.00 H ATOM 978 HG21 ILE A 62 22.705 45.938 51.889 1.00 0.00 H ATOM 979 HG22 ILE A 62 21.571 44.570 52.009 1.00 0.00 H ATOM 980 HG23 ILE A 62 23.246 44.294 51.471 1.00 0.00 H ATOM 981 H ILE A 62 19.177 44.764 49.966 1.00 0.00 H ATOM 982 N SER A 63 21.197 47.764 48.183 1.00 6.18 N ATOM 983 CA SER A 63 21.238 48.243 46.838 1.00 7.89 C ATOM 984 C SER A 63 22.706 48.437 46.415 1.00 6.62 C ATOM 985 O SER A 63 23.483 48.914 47.279 1.00 10.10 O ATOM 986 CB SER A 63 20.488 49.512 46.594 1.00 8.92 C ATOM 987 OG SER A 63 19.097 49.435 46.868 1.00 12.14 O ATOM 988 HA SER A 63 20.736 47.483 46.240 1.00 0.00 H ATOM 989 HB2 SER A 63 20.614 49.787 45.547 1.00 0.00 H ATOM 990 HB3 SER A 63 20.918 50.289 47.227 1.00 0.00 H ATOM 991 HG SER A 63 18.962 49.198 47.820 1.00 0.00 H ATOM 992 H SER A 63 21.686 48.331 48.905 1.00 0.00 H ATOM 993 N PHE A 64 23.024 47.983 45.214 1.00 7.51 N ATOM 994 CA PHE A 64 24.400 48.042 44.728 1.00 7.84 C ATOM 995 C PHE A 64 24.517 48.103 43.237 1.00 7.37 C ATOM 996 O PHE A 64 23.583 47.803 42.502 1.00 8.21 O ATOM 997 CB PHE A 64 25.143 46.790 45.241 1.00 7.27 C ATOM 998 CG PHE A 64 24.512 45.474 44.870 1.00 8.34 C ATOM 999 CD1 PHE A 64 24.822 44.800 43.712 1.00 8.09 C ATOM 1000 CD2 PHE A 64 23.574 44.873 45.713 1.00 8.85 C ATOM 1001 CE1 PHE A 64 24.210 43.627 43.316 1.00 8.89 C ATOM 1002 CE2 PHE A 64 22.935 43.728 45.306 1.00 8.49 C ATOM 1003 CZ PHE A 64 23.241 43.080 44.142 1.00 8.67 C ATOM 1004 HA PHE A 64 24.836 48.967 45.106 1.00 0.00 H ATOM 1005 HB2 PHE A 64 26.154 46.807 44.833 1.00 0.00 H ATOM 1006 HB3 PHE A 64 25.190 46.847 46.328 1.00 0.00 H ATOM 1007 HD2 PHE A 64 23.351 45.310 46.686 1.00 0.00 H ATOM 1008 HE2 PHE A 64 22.149 43.317 45.939 1.00 0.00 H ATOM 1009 HZ PHE A 64 22.734 42.154 43.870 1.00 0.00 H ATOM 1010 HE1 PHE A 64 24.482 43.144 42.378 1.00 0.00 H ATOM 1011 HD1 PHE A 64 25.597 45.216 43.068 1.00 0.00 H ATOM 1012 H PHE A 64 22.283 47.578 44.607 1.00 0.00 H ATOM 1013 N LYS A 65 25.719 48.488 42.762 1.00 7.02 N ATOM 1014 CA LYS A 65 26.111 48.340 41.377 1.00 9.03 C ATOM 1015 C LYS A 65 27.091 47.168 41.284 1.00 8.19 C ATOM 1016 O LYS A 65 27.888 46.999 42.182 1.00 7.93 O ATOM 1017 CB LYS A 65 26.900 49.616 40.942 1.00 8.84 C ATOM 1018 CG LYS A 65 26.093 50.890 41.171 1.00 20.77 C ATOM 1019 CD LYS A 65 26.840 52.051 40.390 1.00 25.48 C ATOM 1020 CE LYS A 65 27.789 51.328 39.398 1.00 28.19 C ATOM 1021 NZ LYS A 65 28.208 52.239 38.290 1.00 43.16 N ATOM 1022 HA LYS A 65 25.230 48.185 40.754 1.00 0.00 H ATOM 1023 HB2 LYS A 65 27.822 49.674 41.520 1.00 0.00 H ATOM 1024 HB3 LYS A 65 27.141 49.537 39.882 1.00 0.00 H ATOM 1025 HG2 LYS A 65 25.081 50.768 40.785 1.00 0.00 H ATOM 1026 HG3 LYS A 65 26.049 51.121 42.235 1.00 0.00 H ATOM 1027 HD2 LYS A 65 26.124 52.672 39.851 1.00 0.00 H ATOM 1028 HD3 LYS A 65 27.410 52.672 41.081 1.00 0.00 H ATOM 1029 HE2 LYS A 65 27.272 50.467 38.974 1.00 0.00 H ATOM 1030 HE3 LYS A 65 28.675 50.990 39.935 1.00 0.00 H ATOM 1031 HZ1 LYS A 65 27.367 52.561 37.770 1.00 0.00 H ATOM 1032 HZ2 LYS A 65 28.706 53.061 38.688 1.00 0.00 H ATOM 1033 HZ3 LYS A 65 28.842 51.728 37.643 1.00 0.00 H ATOM 1034 H LYS A 65 26.399 48.913 43.425 1.00 0.00 H ATOM 1035 N LEU A 66 26.985 46.383 40.205 1.00 8.92 N ATOM 1036 CA LEU A 66 27.881 45.270 40.021 1.00 8.40 C ATOM 1037 C LEU A 66 29.311 45.789 39.925 1.00 8.21 C ATOM 1038 O LEU A 66 29.555 46.781 39.230 1.00 9.45 O ATOM 1039 CB LEU A 66 27.531 44.488 38.740 1.00 9.51 C ATOM 1040 CG LEU A 66 26.222 43.680 38.801 1.00 11.66 C ATOM 1041 CD1 LEU A 66 25.901 43.051 37.455 1.00 15.42 C ATOM 1042 CD2 LEU A 66 26.245 42.599 39.844 1.00 11.89 C ATOM 1043 HA LEU A 66 27.782 44.597 40.873 1.00 0.00 H ATOM 1044 HB2 LEU A 66 27.449 45.202 37.921 1.00 0.00 H ATOM 1045 HB3 LEU A 66 28.346 43.794 38.535 1.00 0.00 H ATOM 1046 HG LEU A 66 25.449 44.399 39.074 1.00 0.00 H ATOM 1047 HD21 LEU A 66 27.054 41.902 39.625 1.00 0.00 H ATOM 1048 HD22 LEU A 66 26.404 43.046 40.825 1.00 0.00 H ATOM 1049 HD23 LEU A 66 25.294 42.067 39.835 1.00 0.00 H ATOM 1050 HD11 LEU A 66 25.792 43.835 36.706 1.00 0.00 H ATOM 1051 HD12 LEU A 66 26.711 42.381 37.166 1.00 0.00 H ATOM 1052 HD13 LEU A 66 24.971 42.487 37.531 1.00 0.00 H ATOM 1053 H LEU A 66 26.251 46.578 39.495 1.00 0.00 H ATOM 1054 N GLY A 67 30.233 45.118 40.572 1.00 8.43 N ATOM 1055 CA GLY A 67 31.657 45.481 40.427 1.00 11.14 C ATOM 1056 C GLY A 67 32.090 46.629 41.293 1.00 10.66 C ATOM 1057 O GLY A 67 33.304 47.008 41.218 1.00 13.18 O ATOM 1058 HA3 GLY A 67 31.837 45.750 39.386 1.00 0.00 H ATOM 1059 HA2 GLY A 67 32.260 44.611 40.686 1.00 0.00 H ATOM 1060 H GLY A 67 29.960 44.327 41.190 1.00 0.00 H ATOM 1061 N VAL A 68 31.263 47.152 42.159 1.00 10.12 N ATOM 1062 CA VAL A 68 31.587 48.296 43.012 1.00 9.11 C ATOM 1063 C VAL A 68 31.357 47.953 44.466 1.00 8.64 C ATOM 1064 O VAL A 68 30.276 47.561 44.880 1.00 9.41 O ATOM 1065 CB VAL A 68 30.717 49.531 42.673 1.00 12.07 C ATOM 1066 CG1 VAL A 68 31.099 50.712 43.563 1.00 14.04 C ATOM 1067 CG2 VAL A 68 30.958 49.930 41.217 1.00 12.64 C ATOM 1068 HA VAL A 68 32.636 48.533 42.833 1.00 0.00 H ATOM 1069 HB VAL A 68 29.670 49.276 42.836 1.00 0.00 H ATOM 1070 HG11 VAL A 68 30.943 50.443 44.608 1.00 0.00 H ATOM 1071 HG12 VAL A 68 32.148 50.961 43.403 1.00 0.00 H ATOM 1072 HG13 VAL A 68 30.477 51.571 43.311 1.00 0.00 H ATOM 1073 HG21 VAL A 68 32.011 50.174 41.078 1.00 0.00 H ATOM 1074 HG22 VAL A 68 30.687 49.100 40.565 1.00 0.00 H ATOM 1075 HG23 VAL A 68 30.347 50.799 40.974 1.00 0.00 H ATOM 1076 H VAL A 68 30.317 46.729 42.247 1.00 0.00 H ATOM 1077 N GLU A 69 32.421 48.114 45.286 1.00 8.25 N ATOM 1078 CA GLU A 69 32.364 47.683 46.678 1.00 8.48 C ATOM 1079 C GLU A 69 31.379 48.551 47.458 1.00 8.32 C ATOM 1080 O GLU A 69 31.284 49.783 47.142 1.00 11.36 O ATOM 1081 CB GLU A 69 33.817 47.866 47.245 1.00 10.70 C ATOM 1082 CG GLU A 69 33.995 47.302 48.628 1.00 13.99 C ATOM 1083 CD GLU A 69 35.434 47.414 49.118 1.00 15.92 C ATOM 1084 OE1 GLU A 69 35.930 48.537 49.239 1.00 23.11 O ATOM 1085 OE2 GLU A 69 35.993 46.338 49.394 1.00 24.84 O ATOM 1086 HA GLU A 69 32.028 46.650 46.765 1.00 0.00 H ATOM 1087 HB2 GLU A 69 34.515 47.365 46.575 1.00 0.00 H ATOM 1088 HB3 GLU A 69 34.045 48.931 47.274 1.00 0.00 H ATOM 1089 HG2 GLU A 69 33.347 47.847 49.315 1.00 0.00 H ATOM 1090 HG3 GLU A 69 33.709 46.250 48.617 1.00 0.00 H ATOM 1091 H GLU A 69 33.291 48.551 44.919 1.00 0.00 H ATOM 1092 N PHE A 70 30.683 48.028 48.414 1.00 6.78 N ATOM 1093 CA PHE A 70 29.777 48.712 49.310 1.00 6.76 C ATOM 1094 C PHE A 70 29.877 48.227 50.732 1.00 8.10 C ATOM 1095 O PHE A 70 30.219 47.050 50.994 1.00 9.16 O ATOM 1096 CB PHE A 70 28.329 48.668 48.814 1.00 9.46 C ATOM 1097 CG PHE A 70 27.745 47.268 48.643 1.00 6.89 C ATOM 1098 CD1 PHE A 70 28.027 46.492 47.575 1.00 7.90 C ATOM 1099 CD2 PHE A 70 26.870 46.767 49.592 1.00 8.07 C ATOM 1100 CE1 PHE A 70 27.504 45.222 47.391 1.00 8.32 C ATOM 1101 CE2 PHE A 70 26.301 45.515 49.391 1.00 8.32 C ATOM 1102 CZ PHE A 70 26.614 44.726 48.322 1.00 8.23 C ATOM 1103 HA PHE A 70 30.097 49.754 49.309 1.00 0.00 H ATOM 1104 HB2 PHE A 70 27.710 49.207 49.531 1.00 0.00 H ATOM 1105 HB3 PHE A 70 28.287 49.172 47.848 1.00 0.00 H ATOM 1106 HD2 PHE A 70 26.631 47.346 50.484 1.00 0.00 H ATOM 1107 HE2 PHE A 70 25.575 45.148 50.117 1.00 0.00 H ATOM 1108 HZ PHE A 70 26.175 43.735 48.207 1.00 0.00 H ATOM 1109 HE1 PHE A 70 27.791 44.625 46.525 1.00 0.00 H ATOM 1110 HD1 PHE A 70 28.703 46.886 46.816 1.00 0.00 H ATOM 1111 H PHE A 70 30.786 47.003 48.554 1.00 0.00 H ATOM 1112 N ASP A 71 29.481 49.061 51.695 1.00 9.30 N ATOM 1113 CA ASP A 71 29.341 48.644 53.081 1.00 10.18 C ATOM 1114 C ASP A 71 28.005 47.950 53.306 1.00 9.91 C ATOM 1115 O ASP A 71 26.987 48.406 52.744 1.00 11.53 O ATOM 1116 CB ASP A 71 29.424 49.853 54.036 1.00 13.50 C ATOM 1117 CG ASP A 71 30.825 50.436 54.090 1.00 16.94 C ATOM 1118 OD1 ASP A 71 31.814 49.698 54.125 1.00 19.68 O ATOM 1119 OD2 ASP A 71 30.925 51.699 54.199 1.00 20.76 O ATOM 1120 HA ASP A 71 30.158 47.954 53.290 1.00 0.00 H ATOM 1121 HB2 ASP A 71 28.734 50.623 53.691 1.00 0.00 H ATOM 1122 HB3 ASP A 71 29.137 49.532 55.037 1.00 0.00 H ATOM 1123 H ASP A 71 29.264 50.047 51.445 1.00 0.00 H ATOM 1124 N GLU A 72 27.970 46.877 54.065 1.00 10.78 N ATOM 1125 CA GLU A 72 26.764 46.120 54.338 1.00 10.55 C ATOM 1126 C GLU A 72 26.741 45.686 55.820 1.00 10.33 C ATOM 1127 O GLU A 72 27.792 45.357 56.369 1.00 12.15 O ATOM 1128 CB GLU A 72 26.809 44.802 53.495 1.00 9.73 C ATOM 1129 CG GLU A 72 25.607 43.893 53.707 1.00 8.81 C ATOM 1130 CD GLU A 72 25.619 42.670 52.802 1.00 8.61 C ATOM 1131 OE1 GLU A 72 26.596 42.436 52.080 1.00 8.56 O ATOM 1132 OE2 GLU A 72 24.646 41.860 52.897 1.00 10.00 O ATOM 1133 HA GLU A 72 25.897 46.736 54.099 1.00 0.00 H ATOM 1134 HB2 GLU A 72 26.855 45.071 52.440 1.00 0.00 H ATOM 1135 HB3 GLU A 72 27.709 44.251 53.767 1.00 0.00 H ATOM 1136 HG2 GLU A 72 25.603 43.558 54.744 1.00 0.00 H ATOM 1137 HG3 GLU A 72 24.700 44.464 53.508 1.00 0.00 H ATOM 1138 H GLU A 72 28.860 46.552 54.495 1.00 0.00 H ATOM 1139 N THR A 73 25.546 45.804 56.414 1.00 10.39 N ATOM 1140 CA THR A 73 25.385 45.150 57.743 1.00 11.45 C ATOM 1141 C THR A 73 24.452 43.960 57.560 1.00 11.21 C ATOM 1142 O THR A 73 23.350 44.128 57.039 1.00 12.15 O ATOM 1143 CB THR A 73 24.711 46.107 58.735 1.00 13.86 C ATOM 1144 OG1 THR A 73 23.541 46.625 58.014 1.00 26.97 O ATOM 1145 CG2 THR A 73 25.608 47.328 58.939 1.00 15.81 C ATOM 1146 HA THR A 73 26.364 44.858 58.122 1.00 0.00 H ATOM 1147 HB THR A 73 24.495 45.610 59.681 1.00 0.00 H ATOM 1148 HG1 THR A 73 22.947 45.872 57.767 1.00 0.00 H ATOM 1149 HG23 THR A 73 26.510 47.029 59.473 1.00 0.00 H ATOM 1150 HG21 THR A 73 25.880 47.744 57.969 1.00 0.00 H ATOM 1151 HG22 THR A 73 25.072 48.078 59.520 1.00 0.00 H ATOM 1152 H THR A 73 24.766 46.328 55.968 1.00 0.00 H ATOM 1153 N THR A 74 24.948 42.791 57.963 1.00 10.71 N ATOM 1154 CA THR A 74 24.264 41.549 57.628 1.00 9.99 C ATOM 1155 C THR A 74 23.163 41.240 58.661 1.00 9.90 C ATOM 1156 O THR A 74 23.090 41.925 59.679 1.00 12.45 O ATOM 1157 CB THR A 74 25.245 40.383 57.588 1.00 10.05 C ATOM 1158 OG1 THR A 74 25.833 40.232 58.897 1.00 10.68 O ATOM 1159 CG2 THR A 74 26.411 40.717 56.645 1.00 9.05 C ATOM 1160 HA THR A 74 23.815 41.676 56.643 1.00 0.00 H ATOM 1161 HB THR A 74 24.713 39.489 57.263 1.00 0.00 H ATOM 1162 HG1 THR A 74 25.120 40.051 59.559 1.00 0.00 H ATOM 1163 HG23 THR A 74 26.032 40.845 55.631 1.00 0.00 H ATOM 1164 HG21 THR A 74 26.890 41.639 56.974 1.00 0.00 H ATOM 1165 HG22 THR A 74 27.136 39.903 56.663 1.00 0.00 H ATOM 1166 H THR A 74 25.827 42.765 58.519 1.00 0.00 H ATOM 1167 N ALA A 75 22.345 40.254 58.358 1.00 8.89 N ATOM 1168 CA ALA A 75 21.249 39.834 59.240 1.00 8.86 C ATOM 1169 C ALA A 75 21.739 39.458 60.641 1.00 12.13 C ATOM 1170 O ALA A 75 20.988 39.652 61.618 1.00 14.31 O ATOM 1171 CB ALA A 75 20.507 38.661 58.621 1.00 11.06 C ATOM 1172 HA ALA A 75 20.576 40.685 59.348 1.00 0.00 H ATOM 1173 HB1 ALA A 75 20.098 38.960 57.656 1.00 0.00 H ATOM 1174 HB2 ALA A 75 21.197 37.829 58.483 1.00 0.00 H ATOM 1175 HB3 ALA A 75 19.696 38.356 59.282 1.00 0.00 H ATOM 1176 H ALA A 75 22.481 39.752 57.457 1.00 0.00 H ATOM 1177 N ASP A 76 22.936 38.900 60.721 1.00 11.43 N ATOM 1178 CA ASP A 76 23.620 38.562 61.928 1.00 10.84 C ATOM 1179 C ASP A 76 24.430 39.664 62.547 1.00 12.82 C ATOM 1180 O ASP A 76 25.202 39.432 63.501 1.00 14.60 O ATOM 1181 CB ASP A 76 24.349 37.246 61.899 1.00 11.44 C ATOM 1182 CG ASP A 76 25.439 37.206 60.851 1.00 11.52 C ATOM 1183 OD1 ASP A 76 25.199 37.760 59.745 1.00 11.60 O ATOM 1184 OD2 ASP A 76 26.534 36.640 61.164 1.00 13.32 O ATOM 1185 HA ASP A 76 22.789 38.415 62.618 1.00 0.00 H ATOM 1186 HB2 ASP A 76 24.799 37.074 62.877 1.00 0.00 H ATOM 1187 HB3 ASP A 76 23.631 36.454 61.686 1.00 0.00 H ATOM 1188 H ASP A 76 23.422 38.689 59.826 1.00 0.00 H ATOM 1189 N ASP A 77 24.352 40.859 62.036 1.00 12.52 N ATOM 1190 CA ASP A 77 24.962 42.040 62.566 1.00 15.73 C ATOM 1191 C ASP A 77 26.470 42.080 62.367 1.00 16.42 C ATOM 1192 O ASP A 77 27.175 42.669 63.204 1.00 20.00 O ATOM 1193 CB ASP A 77 24.644 42.190 64.074 1.00 21.47 C ATOM 1194 CG ASP A 77 23.182 42.496 64.303 1.00 31.61 C ATOM 1195 OD1 ASP A 77 22.636 43.354 63.551 1.00 35.43 O ATOM 1196 OD2 ASP A 77 22.547 41.861 65.159 1.00 34.79 O ATOM 1197 HA ASP A 77 24.536 42.872 62.006 1.00 0.00 H ATOM 1198 HB2 ASP A 77 24.896 41.260 64.584 1.00 0.00 H ATOM 1199 HB3 ASP A 77 25.245 43.002 64.484 1.00 0.00 H ATOM 1200 H ASP A 77 23.796 40.965 61.164 1.00 0.00 H ATOM 1201 N ARG A 78 27.003 41.493 61.310 1.00 12.63 N ATOM 1202 CA ARG A 78 28.380 41.770 60.920 1.00 11.73 C ATOM 1203 C ARG A 78 28.445 43.036 60.044 1.00 11.60 C ATOM 1204 O ARG A 78 27.566 43.182 59.182 1.00 13.71 O ATOM 1205 CB ARG A 78 28.967 40.603 60.143 1.00 11.55 C ATOM 1206 CG ARG A 78 29.261 39.350 61.024 1.00 11.58 C ATOM 1207 CD ARG A 78 29.648 38.220 60.065 1.00 11.36 C ATOM 1208 NE ARG A 78 28.534 37.687 59.350 1.00 9.82 N ATOM 1209 CZ ARG A 78 28.345 37.499 58.085 1.00 9.35 C ATOM 1210 NH1 ARG A 78 29.309 37.725 57.184 1.00 10.80 N ATOM 1211 NH2 ARG A 78 27.137 37.150 57.604 1.00 11.05 N ATOM 1212 HA ARG A 78 28.959 41.923 61.831 1.00 0.00 H ATOM 1213 HB2 ARG A 78 28.261 40.318 59.363 1.00 0.00 H ATOM 1214 HB3 ARG A 78 29.901 40.929 59.685 1.00 0.00 H ATOM 1215 HG2 ARG A 78 30.081 39.557 61.711 1.00 0.00 H ATOM 1216 HG3 ARG A 78 28.373 39.073 61.593 1.00 0.00 H ATOM 1217 HD2 ARG A 78 30.107 37.417 60.642 1.00 0.00 H ATOM 1218 HD3 ARG A 78 30.370 38.607 59.345 1.00 0.00 H ATOM 1219 HE ARG A 78 27.735 37.400 59.951 1.00 0.00 H ATOM 1220 HH12 ARG A 78 29.124 37.564 56.173 1.00 0.00 H ATOM 1221 HH11 ARG A 78 30.243 38.062 57.495 1.00 0.00 H ATOM 1222 HH22 ARG A 78 27.006 37.004 56.583 1.00 0.00 H ATOM 1223 HH21 ARG A 78 26.334 37.027 58.254 1.00 0.00 H ATOM 1224 H ARG A 78 26.434 40.826 60.750 1.00 0.00 H ATOM 1225 N LYS A 79 29.467 43.818 60.206 1.00 12.55 N ATOM 1226 CA LYS A 79 29.713 44.987 59.319 1.00 12.56 C ATOM 1227 C LYS A 79 30.835 44.544 58.348 1.00 12.09 C ATOM 1228 O LYS A 79 31.972 44.284 58.763 1.00 15.29 O ATOM 1229 CB LYS A 79 30.328 46.092 60.229 1.00 17.79 C ATOM 1230 CG LYS A 79 31.676 45.534 60.802 1.00 25.89 C ATOM 1231 CD LYS A 79 31.391 44.739 62.094 1.00 30.21 C ATOM 1232 CE LYS A 79 31.868 43.280 61.940 1.00 28.62 C ATOM 1233 NZ LYS A 79 33.178 43.249 61.179 1.00 36.63 N ATOM 1234 HA LYS A 79 28.817 45.327 58.800 1.00 0.00 H ATOM 1235 HB2 LYS A 79 30.516 46.993 59.645 1.00 0.00 H ATOM 1236 HB3 LYS A 79 29.644 46.325 61.045 1.00 0.00 H ATOM 1237 HG2 LYS A 79 32.141 44.878 60.066 1.00 0.00 H ATOM 1238 HG3 LYS A 79 32.348 46.363 61.025 1.00 0.00 H ATOM 1239 HD2 LYS A 79 31.918 45.204 62.927 1.00 0.00 H ATOM 1240 HD3 LYS A 79 30.319 44.748 62.294 1.00 0.00 H ATOM 1241 HE2 LYS A 79 31.118 42.709 61.394 1.00 0.00 H ATOM 1242 HE3 LYS A 79 32.011 42.839 62.927 1.00 0.00 H ATOM 1243 HZ1 LYS A 79 33.041 43.669 60.237 1.00 0.00 H ATOM 1244 HZ2 LYS A 79 33.894 43.793 61.701 1.00 0.00 H ATOM 1245 HZ3 LYS A 79 33.495 42.264 61.078 1.00 0.00 H ATOM 1246 H LYS A 79 30.135 43.622 60.979 1.00 0.00 H ATOM 1247 N VAL A 80 30.457 44.411 57.101 1.00 11.25 N ATOM 1248 CA VAL A 80 31.337 43.834 56.096 1.00 10.53 C ATOM 1249 C VAL A 80 31.512 44.778 54.894 1.00 10.88 C ATOM 1250 O VAL A 80 30.721 45.699 54.728 1.00 12.45 O ATOM 1251 CB VAL A 80 30.775 42.478 55.609 1.00 10.36 C ATOM 1252 CG1 VAL A 80 30.507 41.581 56.832 1.00 13.16 C ATOM 1253 CG2 VAL A 80 29.469 42.674 54.894 1.00 12.95 C ATOM 1254 HA VAL A 80 32.312 43.682 56.559 1.00 0.00 H ATOM 1255 HB VAL A 80 31.501 42.025 54.934 1.00 0.00 H ATOM 1256 HG11 VAL A 80 31.439 41.421 57.375 1.00 0.00 H ATOM 1257 HG12 VAL A 80 29.783 42.067 57.486 1.00 0.00 H ATOM 1258 HG13 VAL A 80 30.110 40.622 56.498 1.00 0.00 H ATOM 1259 HG21 VAL A 80 28.750 43.132 55.573 1.00 0.00 H ATOM 1260 HG22 VAL A 80 29.622 43.324 54.032 1.00 0.00 H ATOM 1261 HG23 VAL A 80 29.091 41.708 54.560 1.00 0.00 H ATOM 1262 H VAL A 80 29.505 44.725 56.823 1.00 0.00 H ATOM 1263 N LYS A 81 32.533 44.493 54.094 1.00 9.28 N ATOM 1264 CA LYS A 81 32.814 45.133 52.814 1.00 10.42 C ATOM 1265 C LYS A 81 32.405 44.080 51.744 1.00 7.61 C ATOM 1266 O LYS A 81 32.934 42.964 51.765 1.00 10.18 O ATOM 1267 CB LYS A 81 34.325 45.365 52.590 1.00 14.49 C ATOM 1268 CG LYS A 81 34.958 46.249 53.678 1.00 18.89 C ATOM 1269 CD LYS A 81 34.456 47.678 53.566 1.00 24.73 C ATOM 1270 CE LYS A 81 35.113 48.559 54.643 1.00 24.31 C ATOM 1271 NZ LYS A 81 34.711 49.984 54.454 1.00 23.90 N ATOM 1272 HA LYS A 81 32.296 46.091 52.769 1.00 0.00 H ATOM 1273 HB2 LYS A 81 34.830 44.399 52.588 1.00 0.00 H ATOM 1274 HB3 LYS A 81 34.464 45.848 51.623 1.00 0.00 H ATOM 1275 HG2 LYS A 81 34.696 45.853 54.659 1.00 0.00 H ATOM 1276 HG3 LYS A 81 36.042 46.240 53.562 1.00 0.00 H ATOM 1277 HD2 LYS A 81 34.703 48.070 52.580 1.00 0.00 H ATOM 1278 HD3 LYS A 81 33.374 47.691 53.700 1.00 0.00 H ATOM 1279 HE2 LYS A 81 36.197 48.476 54.565 1.00 0.00 H ATOM 1280 HE3 LYS A 81 34.794 48.222 55.629 1.00 0.00 H ATOM 1281 HZ1 LYS A 81 35.017 50.307 53.514 1.00 0.00 H ATOM 1282 HZ2 LYS A 81 33.677 50.064 54.530 1.00 0.00 H ATOM 1283 HZ3 LYS A 81 35.160 50.570 55.187 1.00 0.00 H ATOM 1284 H LYS A 81 33.189 43.749 54.407 1.00 0.00 H ATOM 1285 N SER A 82 31.497 44.490 50.891 1.00 6.47 N ATOM 1286 CA SER A 82 30.910 43.565 49.921 1.00 7.45 C ATOM 1287 C SER A 82 31.168 44.000 48.498 1.00 5.88 C ATOM 1288 O SER A 82 31.230 45.186 48.163 1.00 8.12 O ATOM 1289 CB SER A 82 29.394 43.486 50.184 1.00 8.32 C ATOM 1290 OG SER A 82 29.124 42.806 51.401 1.00 10.68 O ATOM 1291 HA SER A 82 31.374 42.586 50.043 1.00 0.00 H ATOM 1292 HB2 SER A 82 28.917 42.951 49.363 1.00 0.00 H ATOM 1293 HB3 SER A 82 28.989 44.496 50.242 1.00 0.00 H ATOM 1294 HG SER A 82 28.146 42.769 51.547 1.00 0.00 H ATOM 1295 H SER A 82 31.191 45.484 50.904 1.00 0.00 H ATOM 1296 N ILE A 83 31.168 43.020 47.577 1.00 7.32 N ATOM 1297 CA ILE A 83 31.137 43.288 46.176 1.00 8.54 C ATOM 1298 C ILE A 83 30.365 42.166 45.463 1.00 7.50 C ATOM 1299 O ILE A 83 30.481 41.001 45.901 1.00 8.31 O ATOM 1300 CB ILE A 83 32.545 43.393 45.556 1.00 11.43 C ATOM 1301 CG1 ILE A 83 32.535 43.751 44.054 1.00 14.07 C ATOM 1302 CG2 ILE A 83 33.383 42.196 45.833 1.00 16.65 C ATOM 1303 CD1 ILE A 83 33.846 44.381 43.576 1.00 18.23 C ATOM 1304 HA ILE A 83 30.646 44.252 46.044 1.00 0.00 H ATOM 1305 HB ILE A 83 33.014 44.237 46.062 1.00 0.00 H ATOM 1306 HG12 ILE A 83 32.359 42.840 43.482 1.00 0.00 H ATOM 1307 HG13 ILE A 83 31.724 44.456 43.871 1.00 0.00 H ATOM 1308 HD11 ILE A 83 34.031 45.300 44.133 1.00 0.00 H ATOM 1309 HD12 ILE A 83 34.666 43.682 43.743 1.00 0.00 H ATOM 1310 HD13 ILE A 83 33.772 44.608 42.513 1.00 0.00 H ATOM 1311 HG21 ILE A 83 33.499 42.077 46.910 1.00 0.00 H ATOM 1312 HG22 ILE A 83 32.899 41.312 45.418 1.00 0.00 H ATOM 1313 HG23 ILE A 83 34.363 42.325 45.373 1.00 0.00 H ATOM 1314 H ILE A 83 31.191 42.031 47.898 1.00 0.00 H ATOM 1315 N VAL A 84 29.521 42.509 44.513 1.00 7.28 N ATOM 1316 CA VAL A 84 28.733 41.539 43.750 1.00 7.27 C ATOM 1317 C VAL A 84 29.115 41.614 42.283 1.00 7.81 C ATOM 1318 O VAL A 84 29.252 42.687 41.727 1.00 8.91 O ATOM 1319 CB VAL A 84 27.242 41.747 43.911 1.00 7.35 C ATOM 1320 CG1 VAL A 84 26.421 40.722 43.111 1.00 8.77 C ATOM 1321 CG2 VAL A 84 26.803 41.790 45.355 1.00 7.87 C ATOM 1322 HA VAL A 84 28.960 40.549 44.145 1.00 0.00 H ATOM 1323 HB VAL A 84 27.039 42.732 43.492 1.00 0.00 H ATOM 1324 HG11 VAL A 84 26.663 40.812 42.052 1.00 0.00 H ATOM 1325 HG12 VAL A 84 26.662 39.717 43.456 1.00 0.00 H ATOM 1326 HG13 VAL A 84 25.358 40.914 43.260 1.00 0.00 H ATOM 1327 HG21 VAL A 84 27.060 40.848 45.840 1.00 0.00 H ATOM 1328 HG22 VAL A 84 27.309 42.611 45.863 1.00 0.00 H ATOM 1329 HG23 VAL A 84 25.725 41.941 45.401 1.00 0.00 H ATOM 1330 H VAL A 84 29.408 43.519 44.293 1.00 0.00 H ATOM 1331 N THR A 85 29.346 40.458 41.662 1.00 8.36 N ATOM 1332 CA THR A 85 29.702 40.454 40.253 1.00 8.96 C ATOM 1333 C THR A 85 29.030 39.268 39.545 1.00 9.33 C ATOM 1334 O THR A 85 28.464 38.391 40.245 1.00 11.27 O ATOM 1335 CB THR A 85 31.245 40.326 40.121 1.00 12.36 C ATOM 1336 OG1 THR A 85 31.624 40.578 38.781 1.00 14.23 O ATOM 1337 CG2 THR A 85 31.701 39.006 40.628 1.00 11.24 C ATOM 1338 HA THR A 85 29.364 41.382 39.792 1.00 0.00 H ATOM 1339 HB THR A 85 31.742 41.073 40.740 1.00 0.00 H ATOM 1340 HG1 THR A 85 31.344 41.493 38.527 1.00 0.00 H ATOM 1341 HG23 THR A 85 31.374 38.882 41.661 1.00 0.00 H ATOM 1342 HG21 THR A 85 31.273 38.214 40.013 1.00 0.00 H ATOM 1343 HG22 THR A 85 32.789 38.956 40.581 1.00 0.00 H ATOM 1344 H THR A 85 29.272 39.561 42.184 1.00 0.00 H ATOM 1345 N LEU A 86 29.020 39.243 38.260 1.00 10.01 N ATOM 1346 CA LEU A 86 28.534 38.163 37.408 1.00 9.41 C ATOM 1347 C LEU A 86 29.717 37.367 36.841 1.00 9.98 C ATOM 1348 O LEU A 86 30.636 37.965 36.288 1.00 10.59 O ATOM 1349 CB LEU A 86 27.780 38.826 36.257 1.00 12.21 C ATOM 1350 CG LEU A 86 26.736 38.064 35.511 1.00 21.13 C ATOM 1351 CD1 LEU A 86 25.646 37.568 36.486 1.00 20.97 C ATOM 1352 CD2 LEU A 86 26.052 38.990 34.497 1.00 23.60 C ATOM 1353 HA LEU A 86 27.898 37.479 37.970 1.00 0.00 H ATOM 1354 HB2 LEU A 86 27.291 39.709 36.668 1.00 0.00 H ATOM 1355 HB3 LEU A 86 28.528 39.133 35.526 1.00 0.00 H ATOM 1356 HG LEU A 86 27.216 37.222 35.012 1.00 0.00 H ATOM 1357 HD21 LEU A 86 25.587 39.823 35.024 1.00 0.00 H ATOM 1358 HD22 LEU A 86 26.795 39.371 33.796 1.00 0.00 H ATOM 1359 HD23 LEU A 86 25.290 38.432 33.953 1.00 0.00 H ATOM 1360 HD11 LEU A 86 26.099 36.918 37.235 1.00 0.00 H ATOM 1361 HD12 LEU A 86 25.183 38.424 36.978 1.00 0.00 H ATOM 1362 HD13 LEU A 86 24.889 37.013 35.931 1.00 0.00 H ATOM 1363 H LEU A 86 29.399 40.082 37.776 1.00 0.00 H ATOM 1364 N ASP A 87 29.739 36.071 37.117 1.00 7.58 N ATOM 1365 CA ASP A 87 30.898 35.220 36.830 1.00 7.32 C ATOM 1366 C ASP A 87 30.320 33.908 36.282 1.00 8.18 C ATOM 1367 O ASP A 87 29.639 33.175 36.990 1.00 8.45 O ATOM 1368 CB ASP A 87 31.629 34.925 38.149 1.00 11.18 C ATOM 1369 CG ASP A 87 32.928 34.170 37.957 1.00 13.33 C ATOM 1370 OD1 ASP A 87 33.134 33.630 36.860 1.00 12.53 O ATOM 1371 OD2 ASP A 87 33.751 34.150 38.923 1.00 22.73 O ATOM 1372 HA ASP A 87 31.591 35.688 36.131 1.00 0.00 H ATOM 1373 HB2 ASP A 87 31.848 35.872 38.643 1.00 0.00 H ATOM 1374 HB3 ASP A 87 30.973 34.329 38.783 1.00 0.00 H ATOM 1375 H ASP A 87 28.900 35.640 37.555 1.00 0.00 H ATOM 1376 N GLY A 88 30.547 33.650 35.006 1.00 8.38 N ATOM 1377 CA GLY A 88 30.007 32.475 34.380 1.00 9.68 C ATOM 1378 C GLY A 88 28.525 32.308 34.533 1.00 12.91 C ATOM 1379 O GLY A 88 28.030 31.200 34.581 1.00 13.85 O ATOM 1380 HA3 GLY A 88 30.494 31.603 34.817 1.00 0.00 H ATOM 1381 HA2 GLY A 88 30.235 32.522 33.315 1.00 0.00 H ATOM 1382 H GLY A 88 31.126 34.308 34.446 1.00 0.00 H ATOM 1383 N GLY A 89 27.801 33.432 34.542 1.00 8.42 N ATOM 1384 CA GLY A 89 26.382 33.415 34.601 1.00 10.79 C ATOM 1385 C GLY A 89 25.814 33.340 36.001 1.00 10.41 C ATOM 1386 O GLY A 89 24.595 33.320 36.171 1.00 15.18 O ATOM 1387 HA3 GLY A 89 26.028 32.548 34.043 1.00 0.00 H ATOM 1388 HA2 GLY A 89 26.010 34.325 34.131 1.00 0.00 H ATOM 1389 H GLY A 89 28.292 34.348 34.505 1.00 0.00 H ATOM 1390 N LYS A 90 26.701 33.272 36.997 1.00 9.32 N ATOM 1391 CA LYS A 90 26.316 33.239 38.401 1.00 7.77 C ATOM 1392 C LYS A 90 26.444 34.631 39.031 1.00 8.25 C ATOM 1393 O LYS A 90 27.324 35.388 38.700 1.00 10.67 O ATOM 1394 CB LYS A 90 27.299 32.313 39.188 1.00 10.11 C ATOM 1395 CG LYS A 90 27.331 30.912 38.674 1.00 13.48 C ATOM 1396 CD LYS A 90 28.399 30.033 39.309 1.00 17.14 C ATOM 1397 CE LYS A 90 29.804 30.469 38.864 1.00 25.98 C ATOM 1398 NZ LYS A 90 30.851 29.527 39.303 1.00 32.25 N ATOM 1399 HA LYS A 90 25.287 32.883 38.453 1.00 0.00 H ATOM 1400 HB2 LYS A 90 28.303 32.732 39.114 1.00 0.00 H ATOM 1401 HB3 LYS A 90 26.992 32.291 40.234 1.00 0.00 H ATOM 1402 HG2 LYS A 90 26.359 30.457 38.862 1.00 0.00 H ATOM 1403 HG3 LYS A 90 27.512 30.947 37.600 1.00 0.00 H ATOM 1404 HD2 LYS A 90 28.328 30.111 40.394 1.00 0.00 H ATOM 1405 HD3 LYS A 90 28.234 28.998 39.009 1.00 0.00 H ATOM 1406 HE2 LYS A 90 30.016 31.451 39.287 1.00 0.00 H ATOM 1407 HE3 LYS A 90 29.823 30.532 37.776 1.00 0.00 H ATOM 1408 HZ1 LYS A 90 30.847 29.465 40.341 1.00 0.00 H ATOM 1409 HZ2 LYS A 90 30.662 28.588 38.898 1.00 0.00 H ATOM 1410 HZ3 LYS A 90 31.779 29.866 38.978 1.00 0.00 H ATOM 1411 H LYS A 90 27.713 33.241 36.759 1.00 0.00 H ATOM 1412 N LEU A 91 25.561 34.907 39.986 1.00 7.59 N ATOM 1413 CA LEU A 91 25.731 36.163 40.744 1.00 9.65 C ATOM 1414 C LEU A 91 26.542 35.832 42.011 1.00 8.84 C ATOM 1415 O LEU A 91 26.084 35.051 42.852 1.00 9.92 O ATOM 1416 CB LEU A 91 24.367 36.711 41.100 1.00 12.53 C ATOM 1417 CG LEU A 91 24.086 38.086 41.510 1.00 14.47 C ATOM 1418 CD1 LEU A 91 24.443 39.106 40.401 1.00 14.00 C ATOM 1419 CD2 LEU A 91 22.542 38.233 41.763 1.00 16.61 C ATOM 1420 HA LEU A 91 26.257 36.918 40.159 1.00 0.00 H ATOM 1421 HB2 LEU A 91 23.748 36.540 40.219 1.00 0.00 H ATOM 1422 HB3 LEU A 91 24.010 36.087 41.919 1.00 0.00 H ATOM 1423 HG LEU A 91 24.682 38.286 42.400 1.00 0.00 H ATOM 1424 HD21 LEU A 91 22.001 38.003 40.845 1.00 0.00 H ATOM 1425 HD22 LEU A 91 22.237 37.543 42.549 1.00 0.00 H ATOM 1426 HD23 LEU A 91 22.321 39.255 42.070 1.00 0.00 H ATOM 1427 HD11 LEU A 91 25.505 39.030 40.167 1.00 0.00 H ATOM 1428 HD12 LEU A 91 23.857 38.890 39.508 1.00 0.00 H ATOM 1429 HD13 LEU A 91 24.218 40.114 40.750 1.00 0.00 H ATOM 1430 H LEU A 91 24.775 34.258 40.193 1.00 0.00 H ATOM 1431 N VAL A 92 27.701 36.435 42.099 1.00 7.16 N ATOM 1432 CA VAL A 92 28.643 36.099 43.184 1.00 7.17 C ATOM 1433 C VAL A 92 28.807 37.287 44.127 1.00 8.16 C ATOM 1434 O VAL A 92 29.221 38.360 43.692 1.00 9.57 O ATOM 1435 CB VAL A 92 30.005 35.738 42.605 1.00 7.81 C ATOM 1436 CG1 VAL A 92 30.996 35.474 43.732 1.00 10.84 C ATOM 1437 CG2 VAL A 92 29.935 34.609 41.608 1.00 10.04 C ATOM 1438 HA VAL A 92 28.241 35.248 43.734 1.00 0.00 H ATOM 1439 HB VAL A 92 30.367 36.592 42.033 1.00 0.00 H ATOM 1440 HG11 VAL A 92 31.092 36.369 44.347 1.00 0.00 H ATOM 1441 HG12 VAL A 92 30.636 34.648 44.345 1.00 0.00 H ATOM 1442 HG13 VAL A 92 31.967 35.217 43.308 1.00 0.00 H ATOM 1443 HG21 VAL A 92 29.533 33.720 42.095 1.00 0.00 H ATOM 1444 HG22 VAL A 92 29.286 34.896 40.781 1.00 0.00 H ATOM 1445 HG23 VAL A 92 30.935 34.397 41.230 1.00 0.00 H ATOM 1446 H VAL A 92 27.960 37.158 41.397 1.00 0.00 H ATOM 1447 N HIS A 93 28.387 37.039 45.355 1.00 7.33 N ATOM 1448 CA HIS A 93 28.484 38.079 46.410 1.00 7.34 C ATOM 1449 C HIS A 93 29.590 37.647 47.372 1.00 7.95 C ATOM 1450 O HIS A 93 29.489 36.625 48.063 1.00 8.52 O ATOM 1451 CB HIS A 93 27.155 38.186 47.085 1.00 8.03 C ATOM 1452 CG HIS A 93 26.898 39.178 48.129 1.00 7.43 C ATOM 1453 ND1 HIS A 93 27.816 39.987 48.749 1.00 11.12 N ATOM 1454 CD2 HIS A 93 25.709 39.417 48.755 1.00 8.36 C ATOM 1455 CE1 HIS A 93 27.185 40.739 49.668 1.00 8.99 C ATOM 1456 NE2 HIS A 93 25.954 40.410 49.700 1.00 12.57 N ATOM 1457 HA HIS A 93 28.733 39.062 46.010 1.00 0.00 H ATOM 1458 HB2 HIS A 93 26.426 38.374 46.297 1.00 0.00 H ATOM 1459 HB3 HIS A 93 26.960 37.212 47.533 1.00 0.00 H ATOM 1460 HD2 HIS A 93 24.756 38.927 48.555 1.00 0.00 H ATOM 1461 HE1 HIS A 93 27.651 41.506 50.286 1.00 0.00 H ATOM 1462 H HIS A 93 27.985 36.108 45.584 1.00 0.00 H ATOM 1463 N LEU A 94 30.599 38.509 47.507 1.00 8.25 N ATOM 1464 CA LEU A 94 31.697 38.243 48.432 1.00 5.97 C ATOM 1465 C LEU A 94 31.643 39.260 49.579 1.00 7.06 C ATOM 1466 O LEU A 94 31.569 40.449 49.266 1.00 8.99 O ATOM 1467 CB LEU A 94 33.028 38.447 47.655 1.00 7.91 C ATOM 1468 CG LEU A 94 34.296 38.447 48.490 1.00 13.03 C ATOM 1469 CD1 LEU A 94 34.598 37.098 49.062 1.00 14.77 C ATOM 1470 CD2 LEU A 94 35.473 38.900 47.574 1.00 16.75 C ATOM 1471 HA LEU A 94 31.626 37.231 48.831 1.00 0.00 H ATOM 1472 HB2 LEU A 94 33.112 37.645 46.922 1.00 0.00 H ATOM 1473 HB3 LEU A 94 32.969 39.405 47.139 1.00 0.00 H ATOM 1474 HG LEU A 94 34.160 39.127 49.331 1.00 0.00 H ATOM 1475 HD21 LEU A 94 35.570 38.206 46.739 1.00 0.00 H ATOM 1476 HD22 LEU A 94 35.271 39.901 47.194 1.00 0.00 H ATOM 1477 HD23 LEU A 94 36.398 38.909 48.151 1.00 0.00 H ATOM 1478 HD11 LEU A 94 33.773 36.782 49.700 1.00 0.00 H ATOM 1479 HD12 LEU A 94 34.727 36.381 48.251 1.00 0.00 H ATOM 1480 HD13 LEU A 94 35.514 37.151 49.650 1.00 0.00 H ATOM 1481 H LEU A 94 30.604 39.384 46.945 1.00 0.00 H ATOM 1482 N GLN A 95 31.713 38.788 50.810 1.00 5.94 N ATOM 1483 CA GLN A 95 31.753 39.621 51.981 1.00 5.33 C ATOM 1484 C GLN A 95 33.104 39.510 52.675 1.00 8.06 C ATOM 1485 O GLN A 95 33.479 38.322 52.954 1.00 8.46 O ATOM 1486 CB GLN A 95 30.667 39.270 53.040 1.00 6.59 C ATOM 1487 CG GLN A 95 29.257 39.431 52.471 1.00 7.68 C ATOM 1488 CD GLN A 95 28.190 38.942 53.406 1.00 7.86 C ATOM 1489 OE1 GLN A 95 28.366 38.069 54.243 1.00 9.80 O ATOM 1490 NE2 GLN A 95 26.964 39.483 53.220 1.00 9.92 N ATOM 1491 HA GLN A 95 31.567 40.630 51.612 1.00 0.00 H ATOM 1492 HB2 GLN A 95 30.804 38.237 53.360 1.00 0.00 H ATOM 1493 HB3 GLN A 95 30.781 39.933 53.898 1.00 0.00 H ATOM 1494 HG2 GLN A 95 29.083 40.487 52.266 1.00 0.00 H ATOM 1495 HG3 GLN A 95 29.190 38.866 51.541 1.00 0.00 H ATOM 1496 HE22 GLN A 95 26.826 40.225 52.505 1.00 0.00 H ATOM 1497 HE21 GLN A 95 26.159 39.157 53.792 1.00 0.00 H ATOM 1498 H GLN A 95 31.741 37.756 50.940 1.00 0.00 H ATOM 1499 N LYS A 96 33.730 40.584 53.096 1.00 8.49 N ATOM 1500 CA LYS A 96 34.992 40.472 53.842 1.00 10.68 C ATOM 1501 C LYS A 96 34.892 41.310 55.130 1.00 10.20 C ATOM 1502 O LYS A 96 34.407 42.424 55.141 1.00 12.46 O ATOM 1503 CB LYS A 96 36.123 41.132 53.007 1.00 12.16 C ATOM 1504 CG LYS A 96 36.367 40.559 51.656 1.00 19.43 C ATOM 1505 CD LYS A 96 37.459 41.324 50.903 1.00 24.39 C ATOM 1506 CE LYS A 96 37.681 40.729 49.533 1.00 32.42 C ATOM 1507 NZ LYS A 96 36.462 40.891 48.656 1.00 44.95 N ATOM 1508 HA LYS A 96 35.188 39.421 54.052 1.00 0.00 H ATOM 1509 HB2 LYS A 96 35.871 42.185 52.881 1.00 0.00 H ATOM 1510 HB3 LYS A 96 37.049 41.047 53.576 1.00 0.00 H ATOM 1511 HG2 LYS A 96 36.675 39.519 51.764 1.00 0.00 H ATOM 1512 HG3 LYS A 96 35.442 40.605 51.080 1.00 0.00 H ATOM 1513 HD2 LYS A 96 37.157 42.366 50.796 1.00 0.00 H ATOM 1514 HD3 LYS A 96 38.388 41.273 51.470 1.00 0.00 H ATOM 1515 HE2 LYS A 96 37.903 39.667 49.639 1.00 0.00 H ATOM 1516 HE3 LYS A 96 38.526 41.230 49.061 1.00 0.00 H ATOM 1517 HZ1 LYS A 96 35.652 40.410 49.097 1.00 0.00 H ATOM 1518 HZ2 LYS A 96 36.248 41.903 48.546 1.00 0.00 H ATOM 1519 HZ3 LYS A 96 36.649 40.471 47.723 1.00 0.00 H ATOM 1520 H LYS A 96 33.329 41.524 52.900 1.00 0.00 H ATOM 1521 N TRP A 97 35.478 40.727 56.215 1.00 12.17 N ATOM 1522 CA TRP A 97 35.505 41.482 57.469 1.00 14.64 C ATOM 1523 C TRP A 97 36.573 40.841 58.376 1.00 17.07 C ATOM 1524 O TRP A 97 36.636 39.594 58.410 1.00 16.36 O ATOM 1525 CB TRP A 97 34.142 41.506 58.152 1.00 14.84 C ATOM 1526 CG TRP A 97 33.770 40.208 58.782 1.00 13.65 C ATOM 1527 CD1 TRP A 97 33.719 39.927 60.108 1.00 16.51 C ATOM 1528 CD2 TRP A 97 33.378 38.989 58.105 1.00 13.09 C ATOM 1529 NE1 TRP A 97 33.351 38.637 60.309 1.00 16.46 N ATOM 1530 CE2 TRP A 97 33.124 38.036 59.090 1.00 13.68 C ATOM 1531 CE3 TRP A 97 33.210 38.638 56.781 1.00 12.85 C ATOM 1532 CZ2 TRP A 97 32.730 36.727 58.820 1.00 13.03 C ATOM 1533 CZ3 TRP A 97 32.823 37.346 56.488 1.00 13.48 C ATOM 1534 CH2 TRP A 97 32.590 36.406 57.483 1.00 11.98 C ATOM 1535 HA TRP A 97 35.754 42.523 57.264 1.00 0.00 H ATOM 1536 HB2 TRP A 97 34.157 42.274 58.926 1.00 0.00 H ATOM 1537 HB3 TRP A 97 33.387 41.757 57.407 1.00 0.00 H ATOM 1538 HE1 TRP A 97 33.255 38.175 61.236 1.00 0.00 H ATOM 1539 HD1 TRP A 97 33.943 40.639 60.902 1.00 0.00 H ATOM 1540 HZ2 TRP A 97 32.544 36.002 59.613 1.00 0.00 H ATOM 1541 HH2 TRP A 97 32.291 35.396 57.204 1.00 0.00 H ATOM 1542 HZ3 TRP A 97 32.697 37.055 55.445 1.00 0.00 H ATOM 1543 HE3 TRP A 97 33.379 39.364 55.986 1.00 0.00 H ATOM 1544 H TRP A 97 35.893 39.775 56.153 1.00 0.00 H ATOM 1545 N ASP A 98 37.385 41.636 59.022 1.00 19.52 N ATOM 1546 CA ASP A 98 38.396 41.091 59.957 1.00 22.75 C ATOM 1547 C ASP A 98 39.202 39.979 59.350 1.00 23.64 C ATOM 1548 O ASP A 98 39.558 38.963 60.024 1.00 25.86 O ATOM 1549 CB ASP A 98 37.668 40.577 61.203 1.00 28.99 C ATOM 1550 CG ASP A 98 36.923 41.718 61.894 1.00 29.55 C ATOM 1551 OD1 ASP A 98 37.387 42.863 61.729 1.00 40.50 O ATOM 1552 OD2 ASP A 98 35.930 41.441 62.579 1.00 35.88 O ATOM 1553 HA ASP A 98 39.096 41.889 60.207 1.00 0.00 H ATOM 1554 HB2 ASP A 98 36.954 39.807 60.910 1.00 0.00 H ATOM 1555 HB3 ASP A 98 38.395 40.152 61.895 1.00 0.00 H ATOM 1556 H ASP A 98 37.320 42.664 58.878 1.00 0.00 H ATOM 1557 N GLY A 99 39.660 40.100 58.134 1.00 20.32 N ATOM 1558 CA GLY A 99 40.490 39.047 57.556 1.00 21.24 C ATOM 1559 C GLY A 99 39.731 37.820 57.136 1.00 22.32 C ATOM 1560 O GLY A 99 40.313 36.877 56.567 1.00 19.82 O ATOM 1561 HA3 GLY A 99 41.233 38.752 58.297 1.00 0.00 H ATOM 1562 HA2 GLY A 99 40.995 39.453 56.679 1.00 0.00 H ATOM 1563 H GLY A 99 39.433 40.948 57.576 1.00 0.00 H ATOM 1564 N GLN A 100 38.429 37.764 57.385 1.00 16.90 N ATOM 1565 CA GLN A 100 37.697 36.523 56.962 1.00 15.11 C ATOM 1566 C GLN A 100 36.908 36.833 55.674 1.00 13.18 C ATOM 1567 O GLN A 100 36.788 38.001 55.329 1.00 13.11 O ATOM 1568 CB GLN A 100 36.576 36.314 58.028 1.00 18.47 C ATOM 1569 CG GLN A 100 37.142 36.203 59.413 1.00 22.65 C ATOM 1570 CD GLN A 100 36.184 35.384 60.287 1.00 23.77 C ATOM 1571 OE1 GLN A 100 35.850 35.857 61.371 1.00 29.98 O ATOM 1572 NE2 GLN A 100 35.730 34.266 59.756 1.00 30.94 N ATOM 1573 HA GLN A 100 38.389 35.690 56.841 1.00 0.00 H ATOM 1574 HB2 GLN A 100 35.892 37.162 57.992 1.00 0.00 H ATOM 1575 HB3 GLN A 100 36.032 35.399 57.794 1.00 0.00 H ATOM 1576 HG2 GLN A 100 38.112 35.707 59.372 1.00 0.00 H ATOM 1577 HG3 GLN A 100 37.262 37.199 59.839 1.00 0.00 H ATOM 1578 HE22 GLN A 100 36.079 33.952 58.828 1.00 0.00 H ATOM 1579 HE21 GLN A 100 35.023 33.698 60.265 1.00 0.00 H ATOM 1580 H GLN A 100 37.935 38.549 57.855 1.00 0.00 H ATOM 1581 N GLU A 101 36.333 35.817 55.095 1.00 12.18 N ATOM 1582 CA GLU A 101 35.501 36.025 53.892 1.00 13.28 C ATOM 1583 C GLU A 101 34.419 34.958 53.842 1.00 9.69 C ATOM 1584 O GLU A 101 34.532 33.880 54.411 1.00 10.06 O ATOM 1585 CB GLU A 101 36.330 36.170 52.668 1.00 19.03 C ATOM 1586 CG GLU A 101 36.723 35.039 51.822 1.00 25.36 C ATOM 1587 CD GLU A 101 37.847 35.277 50.818 1.00 27.97 C ATOM 1588 OE1 GLU A 101 38.647 36.214 50.939 1.00 31.99 O ATOM 1589 OE2 GLU A 101 37.903 34.464 49.868 1.00 35.20 O ATOM 1590 HA GLU A 101 34.976 36.979 53.947 1.00 0.00 H ATOM 1591 HB2 GLU A 101 35.786 36.855 52.018 1.00 0.00 H ATOM 1592 HB3 GLU A 101 37.260 36.639 52.990 1.00 0.00 H ATOM 1593 HG2 GLU A 101 37.037 34.230 52.481 1.00 0.00 H ATOM 1594 HG3 GLU A 101 35.842 34.727 51.261 1.00 0.00 H ATOM 1595 H GLU A 101 36.460 34.859 55.480 1.00 0.00 H ATOM 1596 N THR A 102 33.268 35.324 53.265 1.00 6.43 N ATOM 1597 CA THR A 102 32.270 34.329 52.916 1.00 5.94 C ATOM 1598 C THR A 102 31.649 34.667 51.585 1.00 6.54 C ATOM 1599 O THR A 102 31.673 35.837 51.179 1.00 7.00 O ATOM 1600 CB THR A 102 31.162 34.261 54.016 1.00 8.34 C ATOM 1601 OG1 THR A 102 30.233 33.239 53.769 1.00 7.26 O ATOM 1602 CG2 THR A 102 30.374 35.562 54.076 1.00 4.41 C ATOM 1603 HA THR A 102 32.757 33.356 52.847 1.00 0.00 H ATOM 1604 HB THR A 102 31.687 34.072 54.953 1.00 0.00 H ATOM 1605 HG1 THR A 102 30.701 32.367 53.749 1.00 0.00 H ATOM 1606 HG23 THR A 102 31.056 36.390 54.267 1.00 0.00 H ATOM 1607 HG21 THR A 102 29.865 35.721 53.125 1.00 0.00 H ATOM 1608 HG22 THR A 102 29.638 35.503 54.878 1.00 0.00 H ATOM 1609 H THR A 102 33.087 36.329 53.065 1.00 0.00 H ATOM 1610 N THR A 103 31.210 33.640 50.853 1.00 6.50 N ATOM 1611 CA THR A 103 30.640 33.895 49.542 1.00 8.30 C ATOM 1612 C THR A 103 29.189 33.360 49.484 1.00 7.77 C ATOM 1613 O THR A 103 28.902 32.323 50.135 1.00 9.42 O ATOM 1614 CB THR A 103 31.415 33.226 48.395 1.00 9.48 C ATOM 1615 OG1 THR A 103 31.510 31.814 48.691 1.00 12.48 O ATOM 1616 CG2 THR A 103 32.808 33.805 48.306 1.00 9.71 C ATOM 1617 HA THR A 103 30.686 34.976 49.407 1.00 0.00 H ATOM 1618 HB THR A 103 30.902 33.394 47.448 1.00 0.00 H ATOM 1619 HG1 THR A 103 30.600 31.431 48.761 1.00 0.00 H ATOM 1620 HG23 THR A 103 32.744 34.870 48.083 1.00 0.00 H ATOM 1621 HG21 THR A 103 33.321 33.662 49.257 1.00 0.00 H ATOM 1622 HG22 THR A 103 33.360 33.299 47.514 1.00 0.00 H ATOM 1623 H THR A 103 31.276 32.668 51.218 1.00 0.00 H ATOM 1624 N LEU A 104 28.369 34.133 48.810 1.00 7.05 N ATOM 1625 CA LEU A 104 26.962 33.776 48.601 1.00 7.91 C ATOM 1626 C LEU A 104 26.771 33.750 47.076 1.00 7.83 C ATOM 1627 O LEU A 104 26.912 34.802 46.432 1.00 9.45 O ATOM 1628 CB LEU A 104 26.058 34.841 49.263 1.00 10.17 C ATOM 1629 CG LEU A 104 26.210 35.089 50.751 1.00 11.40 C ATOM 1630 CD1 LEU A 104 27.262 36.152 51.072 1.00 14.81 C ATOM 1631 CD2 LEU A 104 24.854 35.614 51.352 1.00 15.63 C ATOM 1632 HA LEU A 104 26.699 32.815 49.043 1.00 0.00 H ATOM 1633 HB2 LEU A 104 26.250 35.787 48.757 1.00 0.00 H ATOM 1634 HB3 LEU A 104 25.025 34.540 49.090 1.00 0.00 H ATOM 1635 HG LEU A 104 26.513 34.134 51.181 1.00 0.00 H ATOM 1636 HD21 LEU A 104 24.576 36.546 50.860 1.00 0.00 H ATOM 1637 HD22 LEU A 104 24.074 34.870 51.190 1.00 0.00 H ATOM 1638 HD23 LEU A 104 24.975 35.789 52.421 1.00 0.00 H ATOM 1639 HD11 LEU A 104 28.230 35.831 50.687 1.00 0.00 H ATOM 1640 HD12 LEU A 104 26.978 37.095 50.605 1.00 0.00 H ATOM 1641 HD13 LEU A 104 27.325 36.285 52.152 1.00 0.00 H ATOM 1642 H LEU A 104 28.728 35.025 48.413 1.00 0.00 H ATOM 1643 N VAL A 105 26.628 32.554 46.521 1.00 8.22 N ATOM 1644 CA VAL A 105 26.622 32.413 45.044 1.00 7.97 C ATOM 1645 C VAL A 105 25.218 31.976 44.613 1.00 8.19 C ATOM 1646 O VAL A 105 24.684 31.009 45.192 1.00 8.54 O ATOM 1647 CB VAL A 105 27.667 31.386 44.618 1.00 9.29 C ATOM 1648 CG1 VAL A 105 27.617 31.081 43.146 1.00 11.29 C ATOM 1649 CG2 VAL A 105 29.063 31.797 45.111 1.00 14.64 C ATOM 1650 HA VAL A 105 26.872 33.361 44.567 1.00 0.00 H ATOM 1651 HB VAL A 105 27.423 30.441 45.103 1.00 0.00 H ATOM 1652 HG11 VAL A 105 26.635 30.683 42.892 1.00 0.00 H ATOM 1653 HG12 VAL A 105 27.797 31.995 42.580 1.00 0.00 H ATOM 1654 HG13 VAL A 105 28.383 30.345 42.903 1.00 0.00 H ATOM 1655 HG21 VAL A 105 29.326 32.766 44.687 1.00 0.00 H ATOM 1656 HG22 VAL A 105 29.057 31.865 46.199 1.00 0.00 H ATOM 1657 HG23 VAL A 105 29.792 31.051 44.796 1.00 0.00 H ATOM 1658 H VAL A 105 26.520 31.713 47.123 1.00 0.00 H ATOM 1659 N ARG A 106 24.651 32.659 43.644 1.00 6.22 N ATOM 1660 CA ARG A 106 23.349 32.352 43.125 1.00 7.22 C ATOM 1661 C ARG A 106 23.422 31.875 41.689 1.00 9.07 C ATOM 1662 O ARG A 106 24.082 32.522 40.874 1.00 8.42 O ATOM 1663 CB ARG A 106 22.397 33.542 43.283 1.00 9.05 C ATOM 1664 CG ARG A 106 21.914 33.814 44.682 1.00 10.06 C ATOM 1665 CD ARG A 106 21.184 35.110 44.855 1.00 10.67 C ATOM 1666 NE ARG A 106 20.643 35.266 46.213 1.00 9.24 N ATOM 1667 CZ ARG A 106 21.259 36.004 47.143 1.00 8.33 C ATOM 1668 NH1 ARG A 106 22.401 36.590 46.865 1.00 10.58 N ATOM 1669 NH2 ARG A 106 20.647 36.234 48.307 1.00 10.36 N ATOM 1670 HA ARG A 106 22.942 31.529 43.713 1.00 0.00 H ATOM 1671 HB2 ARG A 106 22.914 34.434 42.928 1.00 0.00 H ATOM 1672 HB3 ARG A 106 21.524 33.357 42.658 1.00 0.00 H ATOM 1673 HG2 ARG A 106 21.243 33.006 44.972 1.00 0.00 H ATOM 1674 HG3 ARG A 106 22.780 33.821 45.344 1.00 0.00 H ATOM 1675 HD2 ARG A 106 20.360 35.147 44.142 1.00 0.00 H ATOM 1676 HD3 ARG A 106 21.873 35.931 44.655 1.00 0.00 H ATOM 1677 HE ARG A 106 19.753 34.787 46.458 1.00 0.00 H ATOM 1678 HH12 ARG A 106 22.880 37.164 47.588 1.00 0.00 H ATOM 1679 HH11 ARG A 106 22.826 36.480 45.922 1.00 0.00 H ATOM 1680 HH22 ARG A 106 21.117 36.806 49.037 1.00 0.00 H ATOM 1681 HH21 ARG A 106 19.701 35.841 48.484 1.00 0.00 H ATOM 1682 H ARG A 106 25.171 33.461 43.234 1.00 0.00 H ATOM 1683 N GLU A 107 22.831 30.695 41.395 1.00 9.55 N ATOM 1684 CA GLU A 107 22.811 30.214 40.053 1.00 12.66 C ATOM 1685 C GLU A 107 21.425 29.728 39.674 1.00 9.43 C ATOM 1686 O GLU A 107 20.709 29.263 40.585 1.00 10.93 O ATOM 1687 CB GLU A 107 23.870 29.150 39.770 1.00 18.56 C ATOM 1688 CG GLU A 107 23.798 27.922 40.516 1.00 28.01 C ATOM 1689 CD GLU A 107 24.968 26.997 40.564 1.00 26.41 C ATOM 1690 OE1 GLU A 107 25.730 26.782 39.578 1.00 30.00 O ATOM 1691 OE2 GLU A 107 25.095 26.384 41.667 1.00 35.16 O ATOM 1692 HA GLU A 107 23.069 31.063 39.420 1.00 0.00 H ATOM 1693 HB2 GLU A 107 23.801 28.894 38.713 1.00 0.00 H ATOM 1694 HB3 GLU A 107 24.843 29.597 39.971 1.00 0.00 H ATOM 1695 HG2 GLU A 107 23.572 28.195 41.547 1.00 0.00 H ATOM 1696 HG3 GLU A 107 22.966 27.353 40.102 1.00 0.00 H ATOM 1697 H GLU A 107 22.389 30.135 42.152 1.00 0.00 H ATOM 1698 N LEU A 108 21.055 29.901 38.441 1.00 10.12 N ATOM 1699 CA LEU A 108 19.763 29.361 37.945 1.00 12.57 C ATOM 1700 C LEU A 108 20.011 27.999 37.312 1.00 15.11 C ATOM 1701 O LEU A 108 20.772 27.877 36.373 1.00 15.53 O ATOM 1702 CB LEU A 108 19.226 30.343 36.888 1.00 14.90 C ATOM 1703 CG LEU A 108 18.886 31.727 37.458 1.00 17.61 C ATOM 1704 CD1 LEU A 108 17.783 31.536 38.527 1.00 21.56 C ATOM 1705 CD2 LEU A 108 20.133 32.324 38.146 1.00 20.11 C ATOM 1706 HA LEU A 108 19.042 29.249 38.755 1.00 0.00 H ATOM 1707 HB2 LEU A 108 19.983 30.465 36.113 1.00 0.00 H ATOM 1708 HB3 LEU A 108 18.323 29.919 36.449 1.00 0.00 H ATOM 1709 HG LEU A 108 18.556 32.393 36.661 1.00 0.00 H ATOM 1710 HD21 LEU A 108 20.450 31.666 38.955 1.00 0.00 H ATOM 1711 HD22 LEU A 108 20.938 32.419 37.417 1.00 0.00 H ATOM 1712 HD23 LEU A 108 19.888 33.307 38.550 1.00 0.00 H ATOM 1713 HD11 LEU A 108 16.903 31.089 38.064 1.00 0.00 H ATOM 1714 HD12 LEU A 108 18.153 30.880 39.315 1.00 0.00 H ATOM 1715 HD13 LEU A 108 17.519 32.504 38.952 1.00 0.00 H ATOM 1716 H LEU A 108 21.673 30.426 37.790 1.00 0.00 H ATOM 1717 N ILE A 109 19.255 27.024 37.823 1.00 16.39 N ATOM 1718 CA ILE A 109 19.336 25.680 37.208 1.00 23.80 C ATOM 1719 C ILE A 109 17.913 25.164 37.062 1.00 24.35 C ATOM 1720 O ILE A 109 17.149 25.162 38.026 1.00 26.04 O ATOM 1721 CB ILE A 109 20.116 24.759 38.211 1.00 25.53 C ATOM 1722 CG1 ILE A 109 21.545 25.276 38.406 1.00 29.12 C ATOM 1723 CG2 ILE A 109 20.127 23.338 37.602 1.00 36.87 C ATOM 1724 CD1 ILE A 109 22.424 24.623 39.399 1.00 30.41 C ATOM 1725 HA ILE A 109 19.835 25.698 36.239 1.00 0.00 H ATOM 1726 HB ILE A 109 19.637 24.753 39.190 1.00 0.00 H ATOM 1727 HG12 ILE A 109 22.045 25.200 37.440 1.00 0.00 H ATOM 1728 HG13 ILE A 109 21.467 26.325 38.692 1.00 0.00 H ATOM 1729 HD11 ILE A 109 21.972 24.699 40.388 1.00 0.00 H ATOM 1730 HD12 ILE A 109 22.550 23.573 39.136 1.00 0.00 H ATOM 1731 HD13 ILE A 109 23.395 25.117 39.403 1.00 0.00 H ATOM 1732 HG21 ILE A 109 19.102 22.990 37.476 1.00 0.00 H ATOM 1733 HG22 ILE A 109 20.626 23.363 36.633 1.00 0.00 H ATOM 1734 HG23 ILE A 109 20.662 22.662 38.270 1.00 0.00 H ATOM 1735 H ILE A 109 18.626 27.204 38.631 1.00 0.00 H ATOM 1736 N ASP A 110 17.520 24.836 35.821 1.00 27.43 N ATOM 1737 CA ASP A 110 16.154 24.245 35.703 1.00 30.76 C ATOM 1738 C ASP A 110 15.140 25.188 36.295 1.00 28.57 C ATOM 1739 O ASP A 110 14.184 24.770 36.952 1.00 28.59 O ATOM 1740 CB ASP A 110 16.145 22.887 36.392 1.00 36.04 C ATOM 1741 CG ASP A 110 15.757 22.850 37.833 1.00 42.49 C ATOM 1742 OD1 ASP A 110 16.546 23.249 38.738 1.00 44.66 O ATOM 1743 OD2 ASP A 110 14.641 22.340 38.166 1.00 48.38 O ATOM 1744 HA ASP A 110 15.887 24.098 34.656 1.00 0.00 H ATOM 1745 HB2 ASP A 110 15.448 22.249 35.849 1.00 0.00 H ATOM 1746 HB3 ASP A 110 17.150 22.473 36.313 1.00 0.00 H ATOM 1747 H ASP A 110 18.130 24.985 34.992 1.00 0.00 H ATOM 1748 N GLY A 111 15.328 26.502 36.071 1.00 23.67 N ATOM 1749 CA GLY A 111 14.328 27.459 36.487 1.00 23.44 C ATOM 1750 C GLY A 111 14.265 27.701 37.961 1.00 19.89 C ATOM 1751 O GLY A 111 13.521 28.582 38.403 1.00 21.32 O ATOM 1752 HA3 GLY A 111 13.354 27.095 36.161 1.00 0.00 H ATOM 1753 HA2 GLY A 111 14.542 28.408 35.996 1.00 0.00 H ATOM 1754 H GLY A 111 16.194 26.829 35.598 1.00 0.00 H ATOM 1755 N LYS A 112 15.087 27.011 38.774 1.00 16.93 N ATOM 1756 CA LYS A 112 15.134 27.344 40.198 1.00 16.09 C ATOM 1757 C LYS A 112 16.394 28.160 40.509 1.00 14.75 C ATOM 1758 O LYS A 112 17.373 28.077 39.786 1.00 15.20 O ATOM 1759 CB LYS A 112 15.116 26.111 41.055 1.00 17.61 C ATOM 1760 CG LYS A 112 13.937 25.156 40.696 1.00 20.42 C ATOM 1761 CD LYS A 112 13.914 24.031 41.722 1.00 23.31 C ATOM 1762 CE LYS A 112 13.265 22.793 41.125 1.00 30.39 C ATOM 1763 NZ LYS A 112 12.207 22.248 42.012 1.00 36.66 N ATOM 1764 HA LYS A 112 14.246 27.934 40.426 1.00 0.00 H ATOM 1765 HB2 LYS A 112 16.055 25.575 40.918 1.00 0.00 H ATOM 1766 HB3 LYS A 112 15.019 26.411 42.098 1.00 0.00 H ATOM 1767 HG2 LYS A 112 12.995 25.703 40.726 1.00 0.00 H ATOM 1768 HG3 LYS A 112 14.085 24.744 39.698 1.00 0.00 H ATOM 1769 HD2 LYS A 112 14.935 23.794 42.021 1.00 0.00 H ATOM 1770 HD3 LYS A 112 13.346 24.351 42.595 1.00 0.00 H ATOM 1771 HE2 LYS A 112 14.029 22.030 40.975 1.00 0.00 H ATOM 1772 HE3 LYS A 112 12.821 23.054 40.164 1.00 0.00 H ATOM 1773 HZ1 LYS A 112 12.624 21.990 42.929 1.00 0.00 H ATOM 1774 HZ2 LYS A 112 11.471 22.969 42.155 1.00 0.00 H ATOM 1775 HZ3 LYS A 112 11.788 21.404 41.571 1.00 0.00 H ATOM 1776 H LYS A 112 15.683 26.248 38.393 1.00 0.00 H ATOM 1777 N LEU A 113 16.341 28.880 41.613 1.00 11.83 N ATOM 1778 CA LEU A 113 17.517 29.726 41.995 1.00 10.90 C ATOM 1779 C LEU A 113 18.202 28.983 43.161 1.00 9.69 C ATOM 1780 O LEU A 113 17.555 28.768 44.178 1.00 11.13 O ATOM 1781 CB LEU A 113 16.926 31.050 42.509 1.00 12.20 C ATOM 1782 CG LEU A 113 17.950 32.134 42.922 1.00 15.40 C ATOM 1783 CD1 LEU A 113 18.729 32.556 41.692 1.00 15.39 C ATOM 1784 CD2 LEU A 113 17.167 33.339 43.482 1.00 15.32 C ATOM 1785 HA LEU A 113 18.222 29.906 41.183 1.00 0.00 H ATOM 1786 HB2 LEU A 113 16.300 31.465 41.719 1.00 0.00 H ATOM 1787 HB3 LEU A 113 16.309 30.825 43.379 1.00 0.00 H ATOM 1788 HG LEU A 113 18.641 31.756 43.676 1.00 0.00 H ATOM 1789 HD21 LEU A 113 16.498 33.725 42.713 1.00 0.00 H ATOM 1790 HD22 LEU A 113 16.584 33.022 44.347 1.00 0.00 H ATOM 1791 HD23 LEU A 113 17.868 34.119 43.781 1.00 0.00 H ATOM 1792 HD11 LEU A 113 19.249 31.692 41.278 1.00 0.00 H ATOM 1793 HD12 LEU A 113 18.041 32.958 40.948 1.00 0.00 H ATOM 1794 HD13 LEU A 113 19.455 33.320 41.968 1.00 0.00 H ATOM 1795 H LEU A 113 15.491 28.861 42.212 1.00 0.00 H ATOM 1796 N ILE A 114 19.430 28.516 42.897 1.00 8.42 N ATOM 1797 CA ILE A 114 20.199 27.830 43.960 1.00 8.81 C ATOM 1798 C ILE A 114 21.195 28.813 44.598 1.00 9.05 C ATOM 1799 O ILE A 114 22.061 29.305 43.875 1.00 9.67 O ATOM 1800 CB ILE A 114 20.953 26.646 43.385 1.00 10.81 C ATOM 1801 CG1 ILE A 114 20.078 25.675 42.572 1.00 14.03 C ATOM 1802 CG2 ILE A 114 21.770 25.908 44.396 1.00 12.01 C ATOM 1803 CD1 ILE A 114 18.861 25.232 43.330 1.00 20.93 C ATOM 1804 HA ILE A 114 19.503 27.472 44.719 1.00 0.00 H ATOM 1805 HB ILE A 114 21.646 27.106 42.681 1.00 0.00 H ATOM 1806 HG12 ILE A 114 19.759 26.173 41.657 1.00 0.00 H ATOM 1807 HG13 ILE A 114 20.672 24.797 42.318 1.00 0.00 H ATOM 1808 HD11 ILE A 114 19.169 24.725 44.244 1.00 0.00 H ATOM 1809 HD12 ILE A 114 18.255 26.102 43.582 1.00 0.00 H ATOM 1810 HD13 ILE A 114 18.278 24.549 42.712 1.00 0.00 H ATOM 1811 HG21 ILE A 114 22.507 26.584 44.830 1.00 0.00 H ATOM 1812 HG22 ILE A 114 21.117 25.528 45.182 1.00 0.00 H ATOM 1813 HG23 ILE A 114 22.280 25.075 43.911 1.00 0.00 H ATOM 1814 H ILE A 114 19.841 28.635 41.949 1.00 0.00 H ATOM 1815 N LEU A 115 21.128 28.963 45.896 1.00 7.33 N ATOM 1816 CA LEU A 115 22.038 29.808 46.683 1.00 6.57 C ATOM 1817 C LEU A 115 22.965 28.897 47.507 1.00 6.89 C ATOM 1818 O LEU A 115 22.508 28.090 48.270 1.00 8.74 O ATOM 1819 CB LEU A 115 21.214 30.678 47.656 1.00 6.86 C ATOM 1820 CG LEU A 115 22.020 31.407 48.743 1.00 7.76 C ATOM 1821 CD1 LEU A 115 22.918 32.480 48.080 1.00 9.95 C ATOM 1822 CD2 LEU A 115 21.012 32.129 49.676 1.00 10.22 C ATOM 1823 HA LEU A 115 22.620 30.445 46.017 1.00 0.00 H ATOM 1824 HB2 LEU A 115 20.686 31.430 47.069 1.00 0.00 H ATOM 1825 HB3 LEU A 115 20.490 30.032 48.152 1.00 0.00 H ATOM 1826 HG LEU A 115 22.636 30.698 49.297 1.00 0.00 H ATOM 1827 HD21 LEU A 115 20.428 32.842 49.095 1.00 0.00 H ATOM 1828 HD22 LEU A 115 20.346 31.394 50.127 1.00 0.00 H ATOM 1829 HD23 LEU A 115 21.557 32.656 50.459 1.00 0.00 H ATOM 1830 HD11 LEU A 115 23.600 31.999 47.380 1.00 0.00 H ATOM 1831 HD12 LEU A 115 22.293 33.196 47.546 1.00 0.00 H ATOM 1832 HD13 LEU A 115 23.491 32.998 48.849 1.00 0.00 H ATOM 1833 H LEU A 115 20.381 28.450 46.405 1.00 0.00 H ATOM 1834 N THR A 116 24.281 29.086 47.217 1.00 5.65 N ATOM 1835 CA THR A 116 25.276 28.335 47.970 1.00 5.95 C ATOM 1836 C THR A 116 26.083 29.315 48.837 1.00 6.61 C ATOM 1837 O THR A 116 26.589 30.295 48.286 1.00 7.79 O ATOM 1838 CB THR A 116 26.301 27.693 46.968 1.00 6.76 C ATOM 1839 OG1 THR A 116 25.535 26.804 46.120 1.00 10.44 O ATOM 1840 CG2 THR A 116 27.287 26.877 47.760 1.00 10.05 C ATOM 1841 HA THR A 116 24.773 27.578 48.571 1.00 0.00 H ATOM 1842 HB THR A 116 26.832 28.446 46.385 1.00 0.00 H ATOM 1843 HG1 THR A 116 24.844 27.324 45.638 1.00 0.00 H ATOM 1844 HG23 THR A 116 27.870 27.537 48.403 1.00 0.00 H ATOM 1845 HG21 THR A 116 26.749 26.154 48.373 1.00 0.00 H ATOM 1846 HG22 THR A 116 27.954 26.352 47.076 1.00 0.00 H ATOM 1847 H THR A 116 24.570 29.753 46.473 1.00 0.00 H ATOM 1848 N LEU A 117 26.177 28.971 50.094 1.00 6.06 N ATOM 1849 CA LEU A 117 26.850 29.827 51.067 1.00 5.94 C ATOM 1850 C LEU A 117 28.016 29.016 51.658 1.00 7.27 C ATOM 1851 O LEU A 117 27.873 27.897 52.129 1.00 9.82 O ATOM 1852 CB LEU A 117 25.880 30.159 52.229 1.00 8.67 C ATOM 1853 CG LEU A 117 24.511 30.702 51.888 1.00 11.26 C ATOM 1854 CD1 LEU A 117 23.569 30.496 53.082 1.00 18.28 C ATOM 1855 CD2 LEU A 117 24.539 32.128 51.510 1.00 20.02 C ATOM 1856 HA LEU A 117 27.186 30.747 50.589 1.00 0.00 H ATOM 1857 HB2 LEU A 117 25.731 29.241 52.797 1.00 0.00 H ATOM 1858 HB3 LEU A 117 26.373 30.899 52.860 1.00 0.00 H ATOM 1859 HG LEU A 117 24.150 30.152 51.019 1.00 0.00 H ATOM 1860 HD21 LEU A 117 24.933 32.715 52.340 1.00 0.00 H ATOM 1861 HD22 LEU A 117 25.177 32.258 50.636 1.00 0.00 H ATOM 1862 HD23 LEU A 117 23.528 32.461 51.276 1.00 0.00 H ATOM 1863 HD11 LEU A 117 23.494 29.432 53.305 1.00 0.00 H ATOM 1864 HD12 LEU A 117 23.964 31.023 53.950 1.00 0.00 H ATOM 1865 HD13 LEU A 117 22.582 30.888 52.836 1.00 0.00 H ATOM 1866 H LEU A 117 25.764 28.069 50.408 1.00 0.00 H ATOM 1867 N THR A 118 29.216 29.678 51.608 1.00 7.98 N ATOM 1868 CA THR A 118 30.412 28.964 52.074 1.00 7.87 C ATOM 1869 C THR A 118 31.160 29.841 53.093 1.00 8.24 C ATOM 1870 O THR A 118 31.372 31.047 52.812 1.00 8.72 O ATOM 1871 CB THR A 118 31.389 28.781 50.852 1.00 10.04 C ATOM 1872 OG1 THR A 118 30.718 27.937 49.870 1.00 12.49 O ATOM 1873 CG2 THR A 118 32.582 27.999 51.341 1.00 11.87 C ATOM 1874 HA THR A 118 30.116 28.010 52.511 1.00 0.00 H ATOM 1875 HB THR A 118 31.673 29.746 50.432 1.00 0.00 H ATOM 1876 HG1 THR A 118 29.879 28.375 49.578 1.00 0.00 H ATOM 1877 HG23 THR A 118 33.122 28.588 52.082 1.00 0.00 H ATOM 1878 HG21 THR A 118 32.243 27.067 51.793 1.00 0.00 H ATOM 1879 HG22 THR A 118 33.240 27.779 50.500 1.00 0.00 H ATOM 1880 H THR A 118 29.277 30.653 51.252 1.00 0.00 H ATOM 1881 N HIS A 119 31.527 29.296 54.215 1.00 8.34 N ATOM 1882 CA HIS A 119 32.390 29.940 55.193 1.00 8.36 C ATOM 1883 C HIS A 119 33.208 28.856 55.901 1.00 10.06 C ATOM 1884 O HIS A 119 32.663 27.885 56.402 1.00 10.52 O ATOM 1885 CB HIS A 119 31.653 30.737 56.243 1.00 11.57 C ATOM 1886 CG HIS A 119 32.523 31.332 57.323 1.00 10.37 C ATOM 1887 ND1 HIS A 119 33.292 32.445 57.159 1.00 13.41 N ATOM 1888 CD2 HIS A 119 32.624 30.957 58.609 1.00 12.04 C ATOM 1889 CE1 HIS A 119 33.936 32.714 58.328 1.00 11.47 C ATOM 1890 NE2 HIS A 119 33.551 31.819 59.217 1.00 14.15 N ATOM 1891 HA HIS A 119 33.011 30.647 54.642 1.00 0.00 H ATOM 1892 HB2 HIS A 119 31.130 31.552 55.743 1.00 0.00 H ATOM 1893 HB3 HIS A 119 30.926 30.078 56.719 1.00 0.00 H ATOM 1894 HD2 HIS A 119 32.088 30.139 59.090 1.00 0.00 H ATOM 1895 HE1 HIS A 119 34.644 33.525 58.499 1.00 0.00 H ATOM 1896 H HIS A 119 31.181 28.338 54.427 1.00 0.00 H ATOM 1897 N GLY A 120 34.523 29.079 55.902 1.00 13.10 N ATOM 1898 CA GLY A 120 35.325 27.987 56.532 1.00 12.44 C ATOM 1899 C GLY A 120 35.169 26.720 55.738 1.00 12.08 C ATOM 1900 O GLY A 120 35.293 26.736 54.509 1.00 17.18 O ATOM 1901 HA3 GLY A 120 34.975 27.822 57.551 1.00 0.00 H ATOM 1902 HA2 GLY A 120 36.376 28.275 56.553 1.00 0.00 H ATOM 1903 H GLY A 120 34.952 29.937 55.500 1.00 0.00 H ATOM 1904 N THR A 121 34.863 25.638 56.431 1.00 11.90 N ATOM 1905 CA THR A 121 34.604 24.369 55.812 1.00 10.36 C ATOM 1906 C THR A 121 33.119 24.131 55.606 1.00 11.76 C ATOM 1907 O THR A 121 32.774 23.131 54.965 1.00 13.13 O ATOM 1908 CB THR A 121 35.159 23.180 56.648 1.00 10.64 C ATOM 1909 OG1 THR A 121 34.562 23.224 57.952 1.00 14.30 O ATOM 1910 CG2 THR A 121 36.640 23.275 56.838 1.00 14.72 C ATOM 1911 HA THR A 121 35.114 24.412 54.850 1.00 0.00 H ATOM 1912 HB THR A 121 34.926 22.259 56.113 1.00 0.00 H ATOM 1913 HG1 THR A 121 34.906 22.472 58.497 1.00 0.00 H ATOM 1914 HG23 THR A 121 37.132 23.245 55.866 1.00 0.00 H ATOM 1915 HG21 THR A 121 36.881 24.212 57.340 1.00 0.00 H ATOM 1916 HG22 THR A 121 36.982 22.437 57.446 1.00 0.00 H ATOM 1917 H THR A 121 34.807 25.708 57.467 1.00 0.00 H ATOM 1918 N ALA A 122 32.264 25.053 56.050 1.00 9.68 N ATOM 1919 CA ALA A 122 30.812 24.782 55.990 1.00 9.91 C ATOM 1920 C ALA A 122 30.249 25.290 54.651 1.00 10.15 C ATOM 1921 O ALA A 122 30.544 26.425 54.242 1.00 12.86 O ATOM 1922 CB ALA A 122 30.149 25.646 57.103 1.00 11.26 C ATOM 1923 HA ALA A 122 30.622 23.715 56.105 1.00 0.00 H ATOM 1924 HB1 ALA A 122 30.557 25.362 58.073 1.00 0.00 H ATOM 1925 HB2 ALA A 122 30.355 26.700 56.915 1.00 0.00 H ATOM 1926 HB3 ALA A 122 29.072 25.479 57.098 1.00 0.00 H ATOM 1927 H ALA A 122 32.615 25.953 56.434 1.00 0.00 H ATOM 1928 N VAL A 123 29.448 24.447 54.032 1.00 8.65 N ATOM 1929 CA VAL A 123 28.792 24.746 52.773 1.00 9.45 C ATOM 1930 C VAL A 123 27.272 24.441 52.898 1.00 12.02 C ATOM 1931 O VAL A 123 26.900 23.310 53.219 1.00 13.27 O ATOM 1932 CB VAL A 123 29.345 23.885 51.637 1.00 12.47 C ATOM 1933 CG1 VAL A 123 28.570 24.040 50.375 1.00 15.04 C ATOM 1934 CG2 VAL A 123 30.838 23.995 51.502 1.00 16.00 C ATOM 1935 HA VAL A 123 28.970 25.798 52.549 1.00 0.00 H ATOM 1936 HB VAL A 123 29.188 22.842 51.911 1.00 0.00 H ATOM 1937 HG11 VAL A 123 27.535 23.745 50.547 1.00 0.00 H ATOM 1938 HG12 VAL A 123 28.604 25.081 50.055 1.00 0.00 H ATOM 1939 HG13 VAL A 123 29.006 23.407 49.602 1.00 0.00 H ATOM 1940 HG21 VAL A 123 31.108 25.031 51.299 1.00 0.00 H ATOM 1941 HG22 VAL A 123 31.310 23.670 52.429 1.00 0.00 H ATOM 1942 HG23 VAL A 123 31.175 23.363 50.680 1.00 0.00 H ATOM 1943 H VAL A 123 29.277 23.519 54.469 1.00 0.00 H ATOM 1944 N CYS A 124 26.488 25.458 52.627 1.00 8.38 N ATOM 1945 CA CYS A 124 25.018 25.348 52.738 1.00 7.41 C ATOM 1946 C CYS A 124 24.397 25.574 51.387 1.00 8.19 C ATOM 1947 O CYS A 124 24.864 26.484 50.625 1.00 8.35 O ATOM 1948 CB CYS A 124 24.563 26.406 53.773 1.00 10.35 C ATOM 1949 SG CYS A 124 22.776 26.777 53.701 1.00 8.99 S ATOM 1950 HA CYS A 124 24.704 24.358 53.070 1.00 0.00 H ATOM 1951 HB2 CYS A 124 25.114 27.328 53.589 1.00 0.00 H ATOM 1952 HB3 CYS A 124 24.799 26.036 54.771 1.00 0.00 H ATOM 1953 HG CYS A 124 22.058 25.624 53.946 1.00 0.00 H ATOM 1954 H CYS A 124 26.910 26.360 52.328 1.00 0.00 H ATOM 1955 N THR A 125 23.421 24.766 51.009 1.00 7.78 N ATOM 1956 CA THR A 125 22.686 25.005 49.768 1.00 7.46 C ATOM 1957 C THR A 125 21.215 25.275 50.045 1.00 8.45 C ATOM 1958 O THR A 125 20.548 24.463 50.755 1.00 8.77 O ATOM 1959 CB THR A 125 22.763 23.726 48.875 1.00 10.13 C ATOM 1960 OG1 THR A 125 24.108 23.336 48.667 1.00 11.17 O ATOM 1961 CG2 THR A 125 22.144 24.035 47.517 1.00 13.88 C ATOM 1962 HA THR A 125 23.132 25.869 49.275 1.00 0.00 H ATOM 1963 HB THR A 125 22.229 22.920 49.378 1.00 0.00 H ATOM 1964 HG1 THR A 125 24.533 23.142 49.540 1.00 0.00 H ATOM 1965 HG23 THR A 125 21.106 24.338 47.653 1.00 0.00 H ATOM 1966 HG21 THR A 125 22.700 24.842 47.041 1.00 0.00 H ATOM 1967 HG22 THR A 125 22.185 23.145 46.890 1.00 0.00 H ATOM 1968 H THR A 125 23.173 23.949 51.603 1.00 0.00 H ATOM 1969 N ARG A 126 20.714 26.389 49.532 1.00 6.89 N ATOM 1970 CA ARG A 126 19.315 26.739 49.666 1.00 8.85 C ATOM 1971 C ARG A 126 18.670 26.938 48.311 1.00 7.72 C ATOM 1972 O ARG A 126 19.259 27.573 47.427 1.00 11.10 O ATOM 1973 CB ARG A 126 19.228 28.074 50.481 1.00 10.02 C ATOM 1974 CG ARG A 126 19.605 27.724 51.933 1.00 11.72 C ATOM 1975 CD ARG A 126 19.793 28.830 52.841 1.00 12.65 C ATOM 1976 NE ARG A 126 18.720 29.732 53.148 1.00 9.26 N ATOM 1977 CZ ARG A 126 17.880 29.610 54.177 1.00 10.10 C ATOM 1978 NH1 ARG A 126 17.803 28.442 54.809 1.00 11.28 N ATOM 1979 NH2 ARG A 126 17.151 30.649 54.558 1.00 8.44 N ATOM 1980 HA ARG A 126 18.788 25.932 50.175 1.00 0.00 H ATOM 1981 HB2 ARG A 126 19.925 28.808 50.077 1.00 0.00 H ATOM 1982 HB3 ARG A 126 18.215 28.475 50.441 1.00 0.00 H ATOM 1983 HG2 ARG A 126 18.811 27.096 52.338 1.00 0.00 H ATOM 1984 HG3 ARG A 126 20.536 27.158 51.905 1.00 0.00 H ATOM 1985 HD2 ARG A 126 20.598 29.437 52.426 1.00 0.00 H ATOM 1986 HD3 ARG A 126 20.116 28.400 53.789 1.00 0.00 H ATOM 1987 HE ARG A 126 18.586 30.548 52.517 1.00 0.00 H ATOM 1988 HH12 ARG A 126 17.154 28.328 55.613 1.00 0.00 H ATOM 1989 HH11 ARG A 126 18.392 27.643 54.499 1.00 0.00 H ATOM 1990 HH22 ARG A 126 16.495 30.558 55.360 1.00 0.00 H ATOM 1991 HH21 ARG A 126 17.235 31.556 54.055 1.00 0.00 H ATOM 1992 H ARG A 126 21.346 27.034 49.016 1.00 0.00 H ATOM 1993 N THR A 127 17.505 26.323 48.131 1.00 6.49 N ATOM 1994 CA THR A 127 16.766 26.303 46.910 1.00 7.42 C ATOM 1995 C THR A 127 15.545 27.180 46.983 1.00 7.00 C ATOM 1996 O THR A 127 14.731 27.063 47.907 1.00 7.71 O ATOM 1997 CB THR A 127 16.380 24.855 46.509 1.00 9.99 C ATOM 1998 OG1 THR A 127 17.570 24.081 46.491 1.00 12.11 O ATOM 1999 CG2 THR A 127 15.704 24.863 45.184 1.00 11.31 C ATOM 2000 HA THR A 127 17.417 26.707 46.135 1.00 0.00 H ATOM 2001 HB THR A 127 15.680 24.420 47.222 1.00 0.00 H ATOM 2002 HG1 THR A 127 17.352 23.149 46.237 1.00 0.00 H ATOM 2003 HG23 THR A 127 14.798 25.467 45.243 1.00 0.00 H ATOM 2004 HG21 THR A 127 16.376 25.286 44.437 1.00 0.00 H ATOM 2005 HG22 THR A 127 15.444 23.842 44.904 1.00 0.00 H ATOM 2006 H THR A 127 17.100 25.816 48.944 1.00 0.00 H ATOM 2007 N TYR A 128 15.408 28.069 45.988 1.00 8.34 N ATOM 2008 CA TYR A 128 14.279 29.008 45.907 1.00 8.18 C ATOM 2009 C TYR A 128 13.525 28.744 44.578 1.00 8.69 C ATOM 2010 O TYR A 128 14.122 28.477 43.543 1.00 11.67 O ATOM 2011 CB TYR A 128 14.834 30.460 45.838 1.00 8.77 C ATOM 2012 CG TYR A 128 15.258 30.985 47.195 1.00 8.62 C ATOM 2013 CD1 TYR A 128 16.489 30.785 47.766 1.00 10.88 C ATOM 2014 CD2 TYR A 128 14.344 31.809 47.869 1.00 8.78 C ATOM 2015 CE1 TYR A 128 16.794 31.313 49.039 1.00 9.86 C ATOM 2016 CE2 TYR A 128 14.636 32.363 49.074 1.00 8.50 C ATOM 2017 CZ TYR A 128 15.854 32.067 49.688 1.00 9.81 C ATOM 2018 OH TYR A 128 16.104 32.651 50.923 1.00 10.72 O ATOM 2019 HA TYR A 128 13.627 28.881 46.771 1.00 0.00 H ATOM 2020 HB3 TYR A 128 14.058 31.112 45.437 1.00 0.00 H ATOM 2021 HB2 TYR A 128 15.697 30.473 45.173 1.00 0.00 H ATOM 2022 HD2 TYR A 128 13.374 32.010 47.414 1.00 0.00 H ATOM 2023 HE2 TYR A 128 13.925 33.033 49.558 1.00 0.00 H ATOM 2024 HE1 TYR A 128 17.764 31.123 49.498 1.00 0.00 H ATOM 2025 HD1 TYR A 128 17.243 30.210 47.229 1.00 0.00 H ATOM 2026 HH TYR A 128 16.994 32.363 51.249 1.00 0.00 H ATOM 2027 H TYR A 128 16.132 28.095 45.241 1.00 0.00 H ATOM 2028 N GLU A 129 12.207 28.912 44.640 1.00 10.21 N ATOM 2029 CA GLU A 129 11.375 28.767 43.397 1.00 11.89 C ATOM 2030 C GLU A 129 10.679 30.088 43.149 1.00 11.19 C ATOM 2031 O GLU A 129 10.343 30.789 44.098 1.00 10.28 O ATOM 2032 CB GLU A 129 10.305 27.700 43.717 1.00 17.82 C ATOM 2033 CG GLU A 129 10.878 26.308 43.815 1.00 27.36 C ATOM 2034 CD GLU A 129 9.785 25.249 43.662 1.00 30.32 C ATOM 2035 OE1 GLU A 129 8.595 25.617 43.730 1.00 35.36 O ATOM 2036 OE2 GLU A 129 10.171 24.081 43.491 1.00 38.29 O ATOM 2037 HA GLU A 129 11.972 28.489 42.529 1.00 0.00 H ATOM 2038 HB2 GLU A 129 9.836 27.951 44.668 1.00 0.00 H ATOM 2039 HB3 GLU A 129 9.553 27.713 42.928 1.00 0.00 H ATOM 2040 HG2 GLU A 129 11.619 26.172 43.027 1.00 0.00 H ATOM 2041 HG3 GLU A 129 11.357 26.188 44.787 1.00 0.00 H ATOM 2042 H GLU A 129 11.753 29.143 45.547 1.00 0.00 H ATOM 2043 N LYS A 130 10.370 30.363 41.888 1.00 12.54 N ATOM 2044 CA LYS A 130 9.877 31.691 41.503 1.00 14.58 C ATOM 2045 C LYS A 130 8.390 31.763 41.850 1.00 19.56 C ATOM 2046 O LYS A 130 7.663 30.761 41.624 1.00 19.26 O ATOM 2047 CB LYS A 130 10.153 31.943 40.033 1.00 17.53 C ATOM 2048 CG LYS A 130 10.103 33.396 39.596 1.00 24.48 C ATOM 2049 CD LYS A 130 10.753 33.603 38.236 1.00 25.12 C ATOM 2050 CE LYS A 130 11.401 34.964 38.139 1.00 28.20 C ATOM 2051 NZ LYS A 130 10.771 35.786 37.067 1.00 34.43 N ATOM 2052 HA LYS A 130 10.395 32.479 42.050 1.00 0.00 H ATOM 2053 HB2 LYS A 130 11.148 31.559 39.808 1.00 0.00 H ATOM 2054 HB3 LYS A 130 9.412 31.392 39.453 1.00 0.00 H ATOM 2055 HG2 LYS A 130 9.061 33.712 39.541 1.00 0.00 H ATOM 2056 HG3 LYS A 130 10.627 34.004 40.333 1.00 0.00 H ATOM 2057 HD2 LYS A 130 11.513 32.836 38.085 1.00 0.00 H ATOM 2058 HD3 LYS A 130 9.991 33.516 37.461 1.00 0.00 H ATOM 2059 HE2 LYS A 130 12.460 34.839 37.915 1.00 0.00 H ATOM 2060 HE3 LYS A 130 11.291 35.479 39.093 1.00 0.00 H ATOM 2061 HZ1 LYS A 130 10.877 35.302 36.153 1.00 0.00 H ATOM 2062 HZ2 LYS A 130 9.761 35.913 37.278 1.00 0.00 H ATOM 2063 HZ3 LYS A 130 11.237 36.715 37.025 1.00 0.00 H ATOM 2064 H LYS A 130 10.479 29.627 41.162 1.00 0.00 H ATOM 2065 N GLU A 131 8.001 32.854 42.451 1.00 22.21 N ATOM 2066 CA GLU A 131 6.586 33.165 42.766 1.00 29.19 C ATOM 2067 C GLU A 131 6.088 34.113 41.646 1.00 29.10 C ATOM 2068 O GLU A 131 5.115 33.765 40.946 1.00 34.19 O ATOM 2069 CB GLU A 131 6.578 33.888 44.080 1.00 30.42 C ATOM 2070 CG GLU A 131 5.331 34.311 44.746 1.00 35.59 C ATOM 2071 CD GLU A 131 5.520 34.256 46.284 1.00 44.98 C ATOM 2072 OE1 GLU A 131 6.155 35.185 46.814 1.00 48.07 O ATOM 2073 OE2 GLU A 131 5.138 33.217 46.864 1.00 49.96 O ATOM 2074 HA GLU A 131 5.956 32.278 42.825 1.00 0.00 H ATOM 2075 HB2 GLU A 131 7.093 33.237 44.787 1.00 0.00 H ATOM 2076 HB3 GLU A 131 7.164 34.795 43.930 1.00 0.00 H ATOM 2077 HG2 GLU A 131 5.087 35.330 44.446 1.00 0.00 H ATOM 2078 HG3 GLU A 131 4.520 33.644 44.456 1.00 0.00 H ATOM 2079 H GLU A 131 8.727 33.547 42.725 1.00 0.00 H TER 2080 GLU A 131 HETATM 2081 O HOH 1 28.330 42.440 34.430 1.00 27.35 O HETATM 2082 O HOH 2 10.239 34.439 34.898 1.00 38.82 O HETATM 2083 O HOH 3 29.657 41.733 36.926 1.00 38.83 O HETATM 2084 O HOH 4 15.431 50.184 45.660 1.00 30.78 O HETATM 2085 O HOH 5 23.092 38.350 48.724 1.00 16.80 O HETATM 2086 O HOH 6 14.230 32.971 35.779 1.00 32.29 O HETATM 2087 O HOH 7 23.579 23.141 66.388 1.00 19.60 O HETATM 2088 O HOH 8 23.467 17.594 48.625 1.00 44.55 O HETATM 2089 O HOH 9 24.548 38.060 54.478 1.00 17.62 O HETATM 2090 O HOH 10 15.440 22.430 55.915 1.00 40.15 O HETATM 2091 O HOH 11 25.274 29.600 71.180 1.00 39.59 O HETATM 2092 O HOH 12 21.161 33.896 69.816 1.00 44.79 O HETATM 2093 O HOH 13 12.742 30.835 36.449 1.00 40.34 O HETATM 2094 O HOH 14 18.055 44.663 58.722 1.00 29.86 O HETATM 2095 O HOH 15 22.253 48.310 56.725 1.00 26.34 O HETATM 2096 O HOH 16 21.301 40.826 51.704 1.00 19.85 O HETATM 2097 O HOH 17 17.797 25.070 58.453 1.00 24.69 O HETATM 2098 O HOH 18 23.953 39.373 52.377 1.00 30.56 O HETATM 2099 O HOH 19 19.624 37.088 51.988 1.00 11.10 O HETATM 2100 O HOH 20 22.005 38.241 51.145 1.00 23.14 O HETATM 2101 O HOH 21 34.924 49.084 44.241 1.00 23.36 O HETATM 2102 O HOH 22 28.734 51.506 46.315 1.00 30.85 O HETATM 2103 O HOH 23 19.889 49.077 53.613 1.00 20.43 O HETATM 2104 O HOH 24 31.206 48.009 56.078 1.00 36.77 O HETATM 2105 O HOH 25 27.663 36.271 63.497 1.00 23.76 O HETATM 2106 O HOH 26 34.112 37.544 43.448 1.00 30.10 O HETATM 2107 O HOH 27 15.320 52.329 34.710 1.00 22.84 O HETATM 2108 O HOH 28 26.092 50.698 51.429 1.00 36.81 O HETATM 2109 O HOH 29 32.173 39.227 43.793 1.00 25.34 O HETATM 2110 O HOH 30 28.905 35.986 33.145 1.00 17.36 O HETATM 2111 O HOH 31 30.560 38.249 33.544 1.00 9.73 O HETATM 2112 O HOH 32 17.361 49.014 42.223 1.00 9.69 O HETATM 2113 O HOH 33 28.936 45.293 44.100 1.00 8.27 O HETATM 2114 O HOH 34 24.709 36.105 45.085 1.00 10.24 O HETATM 2115 O HOH 35 12.721 48.970 40.179 1.00 25.96 O HETATM 2116 O HOH 36 14.620 49.277 41.999 1.00 16.62 O HETATM 2117 O HOH 37 25.236 47.162 38.001 1.00 17.96 O HETATM 2118 O HOH 38 18.737 23.052 48.895 1.00 13.83 O HETATM 2119 O HOH 39 19.333 23.894 56.487 1.00 8.17 O HETATM 2120 O HOH 40 20.974 22.461 59.224 1.00 11.79 O HETATM 2121 O HOH 41 18.241 34.915 49.307 1.00 11.58 O HETATM 2122 O HOH 42 18.298 33.725 46.901 1.00 16.82 O HETATM 2123 O HOH 43 31.062 22.034 58.205 1.00 39.04 O HETATM 2124 O HOH 44 22.291 39.487 55.438 1.00 9.78 O HETATM 2125 O HOH 45 26.665 36.064 55.000 1.00 11.18 O HETATM 2126 O HOH 46 19.816 38.508 54.469 1.00 11.76 O HETATM 2127 O HOH 47 17.114 23.987 64.872 1.00 19.00 O HETATM 2128 O HOH 48 15.784 30.179 57.101 1.00 18.65 O HETATM 2129 O HOH 49 22.371 42.051 54.135 1.00 10.77 O HETATM 2130 O HOH 50 18.682 41.358 51.356 1.00 11.21 O HETATM 2131 O HOH 51 12.553 45.942 52.139 1.00 14.86 O HETATM 2132 O HOH 52 23.318 46.795 54.852 1.00 15.17 O HETATM 2133 O HOH 53 27.759 49.248 44.763 1.00 9.74 O HETATM 2134 O HOH 54 21.419 44.501 55.048 1.00 20.07 O HETATM 2135 O HOH 55 17.965 50.108 49.022 1.00 16.83 O HETATM 2136 O HOH 56 33.281 51.636 47.031 1.00 21.39 O HETATM 2137 O HOH 57 28.639 51.717 50.598 1.00 20.98 O HETATM 2138 O HOH 58 24.792 28.073 43.848 1.00 14.93 O HETATM 2139 O HOH 59 29.481 29.822 48.156 1.00 12.72 O HETATM 2140 O HOH 60 33.642 26.340 59.180 1.00 24.73 O HETATM 2141 O HOH 61 10.605 20.584 54.761 1.00 27.15 O HETATM 2142 O HOH 62 29.307 40.501 32.219 1.00 17.82 O HETATM 2143 O HOH 63 22.999 31.072 36.515 1.00 21.07 O HETATM 2144 O HOH 64 16.572 46.577 30.683 1.00 28.31 O HETATM 2145 O HOH 65 13.057 21.274 46.361 1.00 50.17 O HETATM 2146 O HOH 66 12.210 24.317 58.274 1.00 29.90 O HETATM 2147 O HOH 67 11.297 28.115 40.091 1.00 25.13 O HETATM 2148 O HOH 68 8.557 36.885 40.162 1.00 25.28 O HETATM 2149 O HOH 69 12.178 21.583 56.779 1.00 24.69 O HETATM 2150 O HOH 70 8.692 34.809 53.462 1.00 63.17 O HETATM 2151 O HOH 71 15.915 27.277 57.008 1.00 36.35 O HETATM 2152 O HOH 72 26.136 25.822 71.008 1.00 37.10 O HETATM 2153 O HOH 73 28.607 21.937 55.706 1.00 39.12 O HETATM 2154 O HOH 74 8.506 40.827 55.986 1.00 39.35 O HETATM 2155 O HOH 75 7.402 40.378 50.910 1.00 39.95 O HETATM 2156 O HOH 76 38.938 39.736 54.572 1.00 25.98 O HETATM 2157 O HOH 77 39.037 42.054 56.041 1.00 37.84 O HETATM 2158 O HOH 78 30.201 28.401 45.831 1.00 32.08 O HETATM 2159 O HOH 79 37.596 44.030 55.130 1.00 63.17 O HETATM 2160 O HOH 80 35.602 31.353 54.202 1.00 23.56 O HETATM 2161 O HOH 81 31.711 35.923 63.170 1.00 53.06 O HETATM 2162 O HOH 82 40.108 33.921 53.235 1.00 50.57 O HETATM 2163 O HOH 83 31.330 25.954 47.617 1.00 38.26 O HETATM 2164 O HOH 84 37.290 33.361 56.494 1.00 31.79 O HETATM 2165 O HOH 85 8.557 40.568 41.435 1.00 37.39 O HETATM 2166 O HOH 86 3.148 35.256 40.305 1.00 56.38 O HETATM 2167 O HOH 87 39.066 37.323 62.737 1.00 51.01 O HETATM 2168 O HOH 88 33.666 41.961 64.836 1.00 94.66 O HETATM 2169 O HOH 89 34.236 42.089 49.484 1.00 19.76 O HETATM 2170 O HOH 90 30.004 27.734 41.616 1.00 46.86 O HETATM 2171 O HOH 91 24.895 50.695 48.709 1.00 31.49 O HETATM 2172 O HOH 92 15.616 17.985 51.573 1.00 15.74 O HETATM 2173 O HOH 93 14.729 52.194 42.125 1.00 18.21 O HETATM 2174 O HOH 94 30.082 24.697 61.605 1.00 25.98 O HETATM 2175 O HOH 95 23.682 21.607 59.637 1.00 35.05 O HETATM 2176 O HOH 96 27.108 52.185 48.332 1.00 25.15 O HETATM 2177 O HOH 97 9.097 33.995 56.685 1.00 35.52 O HETATM 2178 O HOH 98 6.709 42.901 49.741 1.00 61.42 O HETATM 2179 O HOH 99 23.823 22.229 44.392 1.00 52.40 O HETATM 2180 O HOH 100 18.486 22.208 44.919 1.00 35.34 O HETATM 2181 O HOH 101 8.620 31.418 57.871 1.00 31.29 O HETATM 2182 O HOH 102 13.267 48.564 45.707 1.00 45.48 O HETATM 2183 O HOH 103 30.093 45.957 35.943 1.00 40.56 O HETATM 2184 O HOH 104 30.810 43.865 37.377 1.00 38.94 O HETATM 2185 O HOH 105 25.087 21.890 51.180 1.00 26.76 O HETATM 2186 O HOH 106 26.362 27.901 73.052 1.00 34.26 O HETATM 2187 O HOH 107 38.114 48.783 52.142 1.00 47.14 O HETATM 2188 O HOH 108 35.819 24.908 52.450 1.00 31.50 O HETATM 2189 O HOH 109 14.094 43.055 60.766 1.00 39.69 O HETATM 2190 O HOH 110 22.104 31.402 33.706 1.00 46.26 O HETATM 2191 O HOH 111 17.205 28.084 34.416 1.00 38.05 O HETATM 2192 O HOH 112 21.329 32.169 71.739 1.00 35.03 O HETATM 2193 O HOH 113 39.501 36.970 48.442 1.00 48.16 O HETATM 2194 O HOH 114 6.876 38.819 52.803 1.00 51.06 O HETATM 2195 O HOH 115 21.181 45.658 58.941 1.00 69.17 O HETATM 2196 O HOH 116 32.429 38.416 63.356 1.00 40.81 O HETATM 2197 O HOH 117 27.452 39.914 65.218 1.00 66.96 O HETATM 2198 O HOH 118 34.803 31.161 51.777 1.00 48.67 O HETATM 2199 O HOH 119 33.564 32.521 44.156 1.00 49.46 O HETATM 2200 O HOH 120 34.756 35.383 44.663 1.00 56.63 O HETATM 2201 O HOH 121 35.385 31.822 39.395 1.00 43.72 O HETATM 2202 O HOH 122 26.880 17.219 55.019 1.00 58.94 O HETATM 2203 O HOH 123 6.717 40.520 45.382 1.00 37.73 O HETATM 2204 O HOH 124 12.024 27.767 68.808 1.00 47.05 O HETATM 2205 O HOH 125 7.830 27.380 50.830 1.00 48.26 O HETATM 2206 O HOH 126 25.498 24.049 46.274 1.00 26.60 O HETATM 2207 O HOH 127 13.922 24.899 55.848 1.00 42.03 O HETATM 2208 O HOH 128 19.722 20.874 47.198 1.00 56.05 O HETATM 2209 O HOH 129 8.370 41.281 58.995 1.00 44.61 O HETATM 2210 O HOH 130 9.834 33.166 63.063 1.00 63.43 O HETATM 2211 O HOH 131 7.884 37.754 55.348 1.00 42.39 O HETATM 2212 O HOH 132 24.205 20.885 62.827 1.00 40.10 O HETATM 2213 O HOH 133 24.066 32.549 72.409 1.00 48.48 O HETATM 2214 O HOH 134 13.553 25.628 73.590 1.00 69.48 O HETATM 2215 O HOH 135 8.966 29.648 51.325 1.00 62.67 O HETATM 2216 O HOH 136 26.948 36.740 31.512 1.00 50.37 O HETATM 2217 O HOH 137 11.280 45.270 55.080 1.00 50.31 O HETATM 2218 O HOH 138 19.630 37.227 66.203 1.00 50.71 O HETATM 2219 O HOH 139 29.342 53.691 45.119 1.00 43.36 O HETATM 2220 O HOH 140 20.753 36.813 33.709 1.00 40.26 O HETATM 2221 O HOH 141 17.807 34.201 30.387 1.00 38.50 O HETATM 2222 O HOH 142 11.903 23.314 53.317 1.00 50.46 O HETATM 2223 O HOH 143 19.493 39.247 29.850 1.00 43.65 O HETATM 2224 O HOH 144 16.626 19.219 47.411 1.00 62.43 O HETATM 2225 O HOH 145 25.148 23.700 42.285 1.00 57.42 O HETATM 2226 O HOH 146 33.981 45.701 57.505 1.00 44.11 O HETATM 2227 O HOH 147 22.776 20.139 47.492 1.00 49.12 O HETATM 2228 O HOH 148 38.042 31.455 53.070 1.00 52.49 O HETATM 2229 O HOH 149 24.038 40.324 31.399 1.00 59.32 O HETATM 2230 O HOH 150 33.483 33.002 62.123 1.00 43.27 O HETATM 2231 O HOH 151 7.384 26.561 60.901 1.00 58.75 O HETATM 2232 O HOH 152 33.961 27.656 46.422 1.00 90.15 O HETATM 2233 O HOH 153 18.783 36.645 30.480 1.00 39.28 O HETATM 2234 O HOH 154 32.250 54.217 47.995 1.00 42.03 O HETATM 2235 O HOH 155 7.102 28.542 40.308 1.00 57.99 O HETATM 2236 O HOH 156 11.478 28.166 66.444 1.00 35.43 O HETATM 2237 O HOH 157 37.598 49.625 41.986 1.00 78.42 O HETATM 2238 O HOH 158 35.501 51.395 44.978 1.00 54.17 O HETATM 2239 O HOH 159 28.110 27.402 43.896 1.00 46.08 O HETATM 2240 O HOH 160 33.358 30.802 46.216 1.00 73.85 O HETATM 2241 O HOH 161 23.730 35.810 32.225 1.00 68.41 O HETATM 2242 O HOH 162 22.854 34.053 34.133 1.00 33.99 O HETATM 2243 O HOH 163 37.087 49.415 45.524 1.00 58.38 O HETATM 2244 O HOH 164 15.277 30.930 33.122 1.00 61.22 O HETATM 2245 O HOH 165 8.245 22.589 44.721 1.00 49.73 O HETATM 2246 O HOH 166 31.555 40.843 63.872 1.00 48.17 O HETATM 2247 O HOH 167 37.341 44.826 58.436 1.00 51.63 O HETATM 2248 O HOH 168 39.611 28.785 54.699 1.00 73.39 O HETATM 2249 O HOH 169 16.583 21.628 46.359 1.00 53.65 O HETATM 2250 O HOH 170 9.500 43.081 40.835 1.00 34.55 O HETATM 2251 O HOH 171 34.690 28.381 61.452 1.00 53.26 O HETATM 2252 O HOH 172 38.768 39.802 46.108 1.00 50.36 O HETATM 2253 O HOH 173 32.308 53.750 45.558 1.00 73.03 O HETATM 2254 O HOH 174 32.166 24.031 60.077 1.00 39.62 O HETATM 2255 O HOH 175 24.944 50.221 58.268 1.00 53.19 O HETATM 2256 O HOH 176 24.698 30.495 75.069 1.00 51.98 O HETATM 2257 O HOH 177 21.442 46.117 35.497 1.00 44.98 O HETATM 2258 O HOH 178 27.934 54.347 43.121 1.00 61.43 O HETATM 2259 O HOH 179 33.000 47.988 57.741 1.00 68.42 O HETATM 2260 O HOH 180 38.840 30.373 49.720 1.00 61.51 O HETATM 2261 O HOH 181 12.493 23.380 74.796 1.00 74.58 O HETATM 2262 O HOH 182 8.671 44.318 45.215 1.00 57.89 O HETATM 2263 O HOH 183 16.433 26.409 73.942 1.00 51.33 O HETATM 2264 O HOH 184 31.567 55.518 43.600 1.00 65.24 O HETATM 2265 O HOH 185 34.455 24.662 50.179 1.00 53.27 O HETATM 2266 O HOH 186 5.490 25.210 44.254 1.00 75.85 O HETATM 2267 O HOH 187 6.533 38.858 48.831 1.00 62.48 O HETATM 2268 O HOH 188 27.995 19.762 53.038 1.00 78.02 O HETATM 2269 O HOH 189 38.072 52.380 42.309 1.00 53.15 O HETATM 2270 O HOH 190 36.561 40.827 43.890 1.00 49.63 O HETATM 2271 O HOH 191 21.063 42.796 31.360 1.00 63.16 O HETATM 2272 O HOH 192 19.610 25.300 33.730 1.00 63.84 O HETATM 2273 O HOH 193 4.805 43.071 43.937 1.00 67.48 O HETATM 2274 O HOH 194 36.456 28.699 52.809 1.00 43.72 O HETATM 2275 O HOH 195 35.439 43.959 47.899 1.00 54.78 O HETATM 2276 O HOH 196 32.289 35.069 67.782 1.00 54.47 O HETATM 2277 O HOH 197 38.628 47.166 54.907 1.00 71.07 O HETATM 2278 O HOH 198 29.905 23.201 46.993 1.00 90.05 O HETATM 2279 O HOH 199 30.200 27.120 67.540 1.00 85.23 O HETATM 2280 O HOH 200 24.077 19.293 50.486 1.00101.23 O HETATM 2281 O HOH 201 31.072 30.068 43.378 1.00 57.11 O HETATM 2282 O HOH 202 36.845 34.310 47.302 1.00 66.33 O HETATM 2283 O HOH 203 18.226 29.048 31.373 1.00 61.02 O HETATM 2284 O HOH 204 31.812 31.391 41.309 1.00 46.35 O HETATM 2285 O HOH 205 30.757 54.177 50.079 1.00 44.40 O HETATM 2286 O HOH 206 36.345 26.156 49.276 1.00 92.64 O HETATM 2287 O HOH 207 15.029 30.862 69.823 1.00 47.04 O HETATM 2288 O HOH 208 24.291 46.005 35.150 1.00 66.96 O HETATM 2289 O HOH 209 34.099 30.551 63.516 1.00 79.16 O HETATM 2290 O HOH 210 23.003 27.611 34.560 1.00 89.60 O HETATM 2291 O HOH 211 40.009 34.655 55.304 1.00 63.53 O HETATM 2292 O HOH 212 20.386 21.805 43.218 1.00 76.88 O HETATM 2293 O HOH 213 25.764 37.511 65.108 1.00 61.81 O HETATM 2294 O HOH 214 37.212 53.482 44.485 1.00 60.44 O HETATM 2295 O HOH 215 29.965 56.506 59.536 1.00 60.29 O HETATM 2296 O HOH 216 21.472 47.136 53.621 1.00 73.14 O HETATM 2297 O HOH 217 13.663 45.102 54.112 1.00 76.13 O HETATM 2298 O HOH 218 4.991 30.822 40.992 1.00 76.87 O HETATM 2299 O HOH 219 9.190 19.218 36.338 1.00 95.33 O HETATM 2300 O HOH 220 23.664 35.502 67.781 1.00 70.06 O HETATM 2301 O HOH 221 12.688 18.857 35.039 1.00 87.14 O HETATM 2302 O HOH 222 3.591 37.459 39.007 1.00 63.80 O HETATM 2303 O HOH 223 27.948 29.617 67.529 1.00 63.19 O HETATM 2304 CA OLA A 224 20.002 33.266 53.577 1.00 0.00 C HETATM 2305 C3 OLA A 224 20.600 34.503 54.125 1.00 -0.04 C HETATM 2306 C4 OLA A 224 21.803 34.275 55.060 1.00 -0.05 C HETATM 2307 C5 OLA A 224 22.341 35.602 55.561 1.00 -0.05 C HETATM 2308 C6 OLA A 224 23.569 35.534 56.400 1.00 -0.05 C HETATM 2309 C7 OLA A 224 23.537 34.531 57.514 1.00 -0.05 C HETATM 2310 C8 OLA A 224 22.693 35.032 58.687 1.00 -0.04 C HETATM 2311 C9 OLA A 224 22.642 34.052 59.804 1.00 -0.10 C HETATM 2312 C10 OLA A 224 21.721 34.138 60.860 1.00 -0.10 C HETATM 2313 C11 OLA A 224 20.778 35.236 61.059 1.00 -0.04 C HETATM 2314 C12 OLA A 224 19.336 34.993 60.903 1.00 -0.05 C HETATM 2315 C13 OLA A 224 18.923 34.610 59.496 1.00 -0.05 C HETATM 2316 C14 OLA A 224 17.506 34.084 59.484 1.00 -0.05 C HETATM 2317 C15 OLA A 224 16.731 34.508 58.278 1.00 -0.05 C HETATM 2318 C16 OLA A 224 17.327 35.668 57.566 1.00 -0.05 C HETATM 2319 C17 OLA A 224 16.304 36.426 56.732 1.00 -0.06 C HETATM 2320 C18 OLA A 224 16.728 37.892 56.648 1.00 -0.07 C HETATM 2321 H31 OLA A 224 15.996 38.452 56.047 1.00 0.02 H HETATM 2322 H32 OLA A 224 17.719 37.961 56.176 1.00 0.02 H HETATM 2323 H33 OLA A 224 16.774 38.319 57.661 1.00 0.02 H HETATM 2324 H29 OLA A 224 15.314 36.354 57.206 1.00 0.03 H HETATM 2325 H30 OLA A 224 16.259 35.995 55.721 1.00 0.03 H HETATM 2326 H27 OLA A 224 18.124 35.303 56.901 1.00 0.03 H HETATM 2327 H28 OLA A 224 17.756 36.356 58.309 1.00 0.03 H HETATM 2328 H25 OLA A 224 15.714 34.780 58.596 1.00 0.03 H HETATM 2329 H26 OLA A 224 16.682 33.659 57.580 1.00 0.03 H HETATM 2330 H23 OLA A 224 16.988 34.455 60.381 1.00 0.03 H HETATM 2331 H24 OLA A 224 17.541 32.985 59.509 1.00 0.03 H HETATM 2332 H21 OLA A 224 19.602 33.830 59.119 1.00 0.03 H HETATM 2333 H22 OLA A 224 18.986 35.496 58.847 1.00 0.03 H HETATM 2334 H19 OLA A 224 18.798 35.911 61.183 1.00 0.03 H HETATM 2335 H20 OLA A 224 19.047 34.177 61.582 1.00 0.03 H HETATM 2336 H17 OLA A 224 21.049 36.024 60.340 1.00 0.04 H HETATM 2337 H18 OLA A 224 20.930 35.606 62.084 1.00 0.04 H HETATM 2338 H16 OLA A 224 21.709 33.325 61.585 1.00 0.04 H HETATM 2339 H15 OLA A 224 23.354 33.228 59.803 1.00 0.04 H HETATM 2340 H13 OLA A 224 21.669 35.218 58.332 1.00 0.04 H HETATM 2341 H14 OLA A 224 23.128 35.971 59.060 1.00 0.04 H HETATM 2342 H11 OLA A 224 24.564 34.350 57.863 1.00 0.03 H HETATM 2343 H12 OLA A 224 23.106 33.591 57.138 1.00 0.03 H HETATM 2344 H9 OLA A 224 23.732 36.527 56.843 1.00 0.03 H HETATM 2345 H10 OLA A 224 24.415 35.283 55.743 1.00 0.03 H HETATM 2346 H7 OLA A 224 21.552 36.081 56.158 1.00 0.03 H HETATM 2347 H8 OLA A 224 22.567 36.226 54.684 1.00 0.03 H HETATM 2348 H5 OLA A 224 22.596 33.747 54.509 1.00 0.03 H HETATM 2349 H6 OLA A 224 21.485 33.665 55.919 1.00 0.03 H HETATM 2350 H3 OLA A 224 19.823 35.038 54.690 1.00 0.03 H HETATM 2351 H4 OLA A 224 20.934 35.125 53.282 1.00 0.03 H HETATM 2352 C OLA A 224 19.030 33.338 52.492 1.00 0.03 C HETATM 2353 OXT OLA A 224 18.321 32.334 52.411 1.00 -0.57 O HETATM 2354 O OLA A 224 19.014 34.416 51.910 1.00 -0.57 O HETATM 2355 H1 OLA A 224 19.503 32.757 54.415 1.00 0.04 H HETATM 2356 H2 OLA A 224 20.835 32.645 53.215 1.00 0.04 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 2304 2305 2352 2355 2356 CONECT 2305 2304 2306 2350 2351 CONECT 2306 2305 2307 2348 2349 CONECT 2307 2306 2308 2346 2347 CONECT 2308 2307 2309 2344 2345 CONECT 2309 2308 2310 2342 2343 CONECT 2310 2309 2311 2340 2341 CONECT 2311 2310 2312 2339 CONECT 2312 2311 2313 2338 CONECT 2313 2312 2314 2336 2337 CONECT 2314 2313 2315 2334 2335 CONECT 2315 2314 2316 2332 2333 CONECT 2316 2315 2317 2330 2331 CONECT 2317 2316 2318 2328 2329 CONECT 2318 2317 2319 2326 2327 CONECT 2319 2318 2320 2324 2325 CONECT 2320 2319 2321 2322 2323 CONECT 2321 2320 CONECT 2322 2320 CONECT 2323 2320 CONECT 2324 2319 CONECT 2325 2319 CONECT 2326 2318 CONECT 2327 2318 CONECT 2328 2317 CONECT 2329 2317 CONECT 2330 2316 CONECT 2331 2316 CONECT 2332 2315 CONECT 2333 2315 CONECT 2334 2314 CONECT 2335 2314 CONECT 2336 2313 CONECT 2337 2313 CONECT 2338 2312 CONECT 2339 2311 CONECT 2340 2310 CONECT 2341 2310 CONECT 2342 2309 CONECT 2343 2309 CONECT 2344 2308 CONECT 2345 2308 CONECT 2346 2307 CONECT 2347 2307 CONECT 2348 2306 CONECT 2349 2306 CONECT 2350 2305 CONECT 2351 2305 CONECT 2352 2304 2353 2354 CONECT 2353 2352 CONECT 2354 2352 CONECT 2355 2304 CONECT 2356 2304 MASTER 0 0 0 0 0 0 0 0 2355 1 57 11 END
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Structure:
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Related entries of code: 1hms
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
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RCSB PDB
PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fe3
RCSB PDB
PDBbind
OLA
1g74
RCSB PDB
PDBbind
OLA
1gni
RCSB PDB
PDBbind
OLA
1lfo
RCSB PDB
PDBbind
OLA
1vyf
RCSB PDB
PDBbind
OLA
2lkk
RCSB PDB
PDBbind
OLA
3pgu
RCSB PDB
PDBbind
OLA
6md0
RCSB PDB
PDBbind
OLA
Entry Information
PDB ID
1hms
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
fatty acid-binding protein
Ligand Name
OLA
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=0.43uM
Release Year
1995
Protein/NA Sequence
Check fasta file
Primary Reference
Structure v2 pp. 523-34, 1994
Ligand Properties
Formula
C
1
8
H
3
4
O
2
Molecular Weight
282.461
Exact Mass
282.256
No. of atoms
54
No. of bonds
53
Polar Surface Area
37.3
LOGP Value
8.71 (
Computed with XLOGP3
)
6.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O
InChI String
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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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times since Nov 2007.
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