Browse entries in the PDBbind-CN Database
HEADER 4HT6_COMPLEX COMPND 4HT6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 SER THR PRO ILE VAL LYS ALA SER ASP ILE THR ASP LYS SEQRES 2 A 86 LEU LYS GLU ASP ILE LEU THR ILE SER LYS ASP ALA LEU SEQRES 3 A 86 ASP LYS TYR GLN LEU GLU ARG ASP ILE ALA GLY THR VAL SEQRES 4 A 86 LYS LYS GLN LEU ASP VAL LYS TYR GLY ASN THR TRP HIS SEQRES 5 A 86 VAL ILE VAL GLY LYS ASN PHE GLY SER TYR VAL THR HIS SEQRES 6 A 86 GLU LYS GLY HIS PHE VAL TYR PHE TYR ILE GLY PRO LEU SEQRES 7 A 86 ALA PHE LEU VAL PHE LYS THR ALA HET ILE A 185 177 ATOM 1 N SER A 7 7.137 135.838 64.883 1.00 26.74 N ATOM 2 CA SER A 7 6.868 134.605 64.150 1.00 25.22 C ATOM 3 C SER A 7 7.495 133.425 64.884 1.00 25.89 C ATOM 4 O SER A 7 8.671 133.470 65.246 1.00 28.07 O ATOM 5 CB SER A 7 7.408 134.709 62.721 1.00 26.94 C ATOM 6 OG SER A 7 7.078 133.565 61.950 1.00 38.61 O ATOM 7 HA SER A 7 5.791 134.447 64.093 1.00 0.00 H ATOM 8 HB2 SER A 7 8.493 134.808 62.760 1.00 0.00 H ATOM 9 HB3 SER A 7 6.980 135.591 62.245 1.00 0.00 H ATOM 10 HG SER A 7 7.468 132.760 62.373 1.00 0.00 H ATOM 11 HN3 SER A 7 8.165 135.981 64.953 1.00 0.00 H ATOM 12 HN2 SER A 7 6.730 135.768 65.837 1.00 0.00 H ATOM 13 HN1 SER A 7 6.708 136.640 64.379 1.00 0.00 H ATOM 14 N THR A 8 6.702 132.383 65.116 1.00 16.85 N ATOM 15 CA THR A 8 7.190 131.179 65.783 1.00 20.43 C ATOM 16 C THR A 8 8.237 130.493 64.907 1.00 16.69 C ATOM 17 O THR A 8 8.009 130.281 63.717 1.00 15.30 O ATOM 18 CB THR A 8 6.030 130.210 66.111 1.00 26.98 C ATOM 19 OG1 THR A 8 5.132 130.839 67.033 1.00 27.75 O ATOM 20 CG2 THR A 8 6.553 128.920 66.736 1.00 27.48 C ATOM 21 HA THR A 8 7.651 131.469 66.727 1.00 0.00 H ATOM 22 HB THR A 8 5.515 129.967 65.182 1.00 0.00 H ATOM 23 HG1 THR A 8 4.389 130.219 67.243 1.00 0.00 H ATOM 24 HG23 THR A 8 7.238 128.433 66.042 1.00 0.00 H ATOM 25 HG21 THR A 8 7.078 129.153 67.662 1.00 0.00 H ATOM 26 HG22 THR A 8 5.716 128.255 66.949 1.00 0.00 H ATOM 27 H THR A 8 5.708 132.427 64.814 1.00 0.00 H ATOM 28 N PRO A 9 9.406 130.171 65.487 1.00 21.09 N ATOM 29 CA PRO A 9 10.462 129.549 64.683 1.00 17.48 C ATOM 30 C PRO A 9 10.042 128.195 64.129 1.00 19.62 C ATOM 31 O PRO A 9 9.272 127.478 64.767 1.00 19.32 O ATOM 32 CB PRO A 9 11.611 129.382 65.681 1.00 15.46 C ATOM 33 CG PRO A 9 11.384 130.472 66.684 1.00 14.70 C ATOM 34 CD PRO A 9 9.883 130.535 66.833 1.00 18.35 C ATOM 35 HA PRO A 9 10.719 130.149 63.810 1.00 0.00 H ATOM 36 HD3 PRO A 9 9.532 129.823 67.580 1.00 0.00 H ATOM 37 HD2 PRO A 9 9.557 131.538 67.107 1.00 0.00 H ATOM 38 HG3 PRO A 9 11.776 131.421 66.319 1.00 0.00 H ATOM 39 HG2 PRO A 9 11.857 130.227 67.635 1.00 0.00 H ATOM 40 HB2 PRO A 9 11.571 128.403 66.158 1.00 0.00 H ATOM 41 HB3 PRO A 9 12.575 129.505 65.187 1.00 0.00 H ATOM 42 N ILE A 10 10.516 127.882 62.929 1.00 17.08 N ATOM 43 CA ILE A 10 10.288 126.572 62.330 1.00 19.96 C ATOM 44 C ILE A 10 11.577 125.780 62.417 1.00 18.13 C ATOM 45 O ILE A 10 12.544 126.088 61.710 1.00 15.24 O ATOM 46 CB ILE A 10 9.897 126.688 60.851 1.00 20.71 C ATOM 47 CG1 ILE A 10 8.605 127.500 60.700 1.00 24.79 C ATOM 48 CG2 ILE A 10 9.731 125.295 60.232 1.00 21.09 C ATOM 49 CD1 ILE A 10 8.230 127.728 59.257 1.00 34.16 C ATOM 50 HA ILE A 10 9.474 126.084 62.866 1.00 0.00 H ATOM 51 HB ILE A 10 10.695 127.209 60.322 1.00 0.00 H ATOM 52 HG12 ILE A 10 7.794 126.962 61.191 1.00 0.00 H ATOM 53 HG13 ILE A 10 8.742 128.468 61.183 1.00 0.00 H ATOM 54 HD11 ILE A 10 9.030 128.274 58.757 1.00 0.00 H ATOM 55 HD12 ILE A 10 8.082 126.767 58.765 1.00 0.00 H ATOM 56 HD13 ILE A 10 7.308 128.308 59.210 1.00 0.00 H ATOM 57 HG21 ILE A 10 10.672 124.750 60.310 1.00 0.00 H ATOM 58 HG22 ILE A 10 8.950 124.753 60.765 1.00 0.00 H ATOM 59 HG23 ILE A 10 9.454 125.396 59.183 1.00 0.00 H ATOM 60 H ILE A 10 11.065 128.591 62.402 1.00 0.00 H ATOM 61 N VAL A 11 11.607 124.777 63.292 1.00 17.18 N ATOM 62 CA VAL A 11 12.804 123.954 63.442 1.00 19.87 C ATOM 63 C VAL A 11 12.878 122.914 62.319 1.00 21.28 C ATOM 64 O VAL A 11 11.942 122.139 62.124 1.00 17.86 O ATOM 65 CB VAL A 11 12.856 123.287 64.835 1.00 16.80 C ATOM 66 CG1 VAL A 11 14.090 122.397 64.972 1.00 14.75 C ATOM 67 CG2 VAL A 11 12.863 124.349 65.910 1.00 18.56 C ATOM 68 HA VAL A 11 13.677 124.601 63.364 1.00 0.00 H ATOM 69 HB VAL A 11 11.971 122.660 64.949 1.00 0.00 H ATOM 70 HG11 VAL A 11 14.060 121.617 64.212 1.00 0.00 H ATOM 71 HG12 VAL A 11 14.988 123.000 64.840 1.00 0.00 H ATOM 72 HG13 VAL A 11 14.100 121.941 65.962 1.00 0.00 H ATOM 73 HG21 VAL A 11 13.737 124.988 65.782 1.00 0.00 H ATOM 74 HG22 VAL A 11 11.957 124.950 65.831 1.00 0.00 H ATOM 75 HG23 VAL A 11 12.900 123.872 66.890 1.00 0.00 H ATOM 76 H VAL A 11 10.769 124.577 63.875 1.00 0.00 H ATOM 77 N LYS A 12 13.988 122.923 61.580 1.00 12.38 N ATOM 78 CA LYS A 12 14.207 122.023 60.441 1.00 14.94 C ATOM 79 C LYS A 12 15.077 120.813 60.792 1.00 19.43 C ATOM 80 O LYS A 12 14.856 119.704 60.298 1.00 16.28 O ATOM 81 CB LYS A 12 14.857 122.790 59.289 1.00 14.23 C ATOM 82 CG LYS A 12 13.990 123.906 58.713 1.00 21.18 C ATOM 83 CD LYS A 12 12.767 123.329 58.023 1.00 21.83 C ATOM 84 CE LYS A 12 12.028 124.377 57.199 1.00 23.41 C ATOM 85 NZ LYS A 12 10.941 123.736 56.383 1.00 17.92 N ATOM 86 HA LYS A 12 13.227 121.646 60.149 1.00 0.00 H ATOM 87 HB2 LYS A 12 15.785 123.231 59.652 1.00 0.00 H ATOM 88 HB3 LYS A 12 15.080 122.083 58.490 1.00 0.00 H ATOM 89 HG2 LYS A 12 13.669 124.564 59.521 1.00 0.00 H ATOM 90 HG3 LYS A 12 14.573 124.477 57.991 1.00 0.00 H ATOM 91 HD2 LYS A 12 13.083 122.521 57.363 1.00 0.00 H ATOM 92 HD3 LYS A 12 12.089 122.934 58.780 1.00 0.00 H ATOM 93 HE2 LYS A 12 12.734 124.872 56.531 1.00 0.00 H ATOM 94 HE3 LYS A 12 11.586 125.114 57.869 1.00 0.00 H ATOM 95 HZ1 LYS A 12 11.360 123.034 55.740 1.00 0.00 H ATOM 96 HZ2 LYS A 12 10.264 123.266 57.018 1.00 0.00 H ATOM 97 HZ3 LYS A 12 10.449 124.466 55.829 1.00 0.00 H ATOM 98 H LYS A 12 14.737 123.602 61.823 1.00 0.00 H ATOM 99 N ALA A 13 16.071 121.028 61.646 1.00 14.93 N ATOM 100 CA ALA A 13 16.951 119.943 62.075 1.00 17.28 C ATOM 101 C ALA A 13 17.536 120.276 63.442 1.00 21.57 C ATOM 102 O ALA A 13 17.775 121.444 63.762 1.00 15.86 O ATOM 103 CB ALA A 13 18.071 119.707 61.033 1.00 10.09 C ATOM 104 HA ALA A 13 16.375 119.021 62.154 1.00 0.00 H ATOM 105 HB1 ALA A 13 17.624 119.443 60.075 1.00 0.00 H ATOM 106 HB2 ALA A 13 18.660 120.618 60.922 1.00 0.00 H ATOM 107 HB3 ALA A 13 18.715 118.895 61.371 1.00 0.00 H ATOM 108 H ALA A 13 16.226 121.987 62.017 1.00 0.00 H ATOM 109 N SER A 14 17.757 119.258 64.266 1.00 11.30 N ATOM 110 CA SER A 14 18.315 119.514 65.579 1.00 14.60 C ATOM 111 C SER A 14 18.886 118.268 66.228 1.00 19.66 C ATOM 112 O SER A 14 18.437 117.141 65.978 1.00 20.70 O ATOM 113 CB SER A 14 17.272 120.136 66.503 1.00 22.41 C ATOM 114 OG SER A 14 16.345 119.164 66.944 1.00 21.20 O ATOM 115 HA SER A 14 19.136 120.215 65.428 1.00 0.00 H ATOM 116 HB2 SER A 14 16.739 120.919 65.964 1.00 0.00 H ATOM 117 HB3 SER A 14 17.774 120.569 67.368 1.00 0.00 H ATOM 118 HG SER A 14 16.825 118.452 67.438 1.00 0.00 H ATOM 119 H SER A 14 17.532 118.286 63.972 1.00 0.00 H ATOM 120 N ASP A 15 19.897 118.504 67.053 1.00 16.88 N ATOM 121 CA ASP A 15 20.418 117.532 67.998 1.00 15.48 C ATOM 122 C ASP A 15 20.619 118.350 69.259 1.00 18.59 C ATOM 123 O ASP A 15 21.672 118.958 69.446 1.00 12.63 O ATOM 124 CB ASP A 15 21.753 116.973 67.514 1.00 16.42 C ATOM 125 CG ASP A 15 22.426 116.105 68.551 1.00 15.77 C ATOM 126 OD1 ASP A 15 21.713 115.525 69.401 1.00 18.25 O ATOM 127 OD2 ASP A 15 23.670 116.008 68.530 1.00 18.03 O ATOM 128 HA ASP A 15 19.758 116.675 68.137 1.00 0.00 H ATOM 129 HB2 ASP A 15 21.579 116.377 66.618 1.00 0.00 H ATOM 130 HB3 ASP A 15 22.414 117.805 67.272 1.00 0.00 H ATOM 131 H ASP A 15 20.344 119.442 67.021 1.00 0.00 H ATOM 132 N ILE A 16 19.589 118.411 70.096 1.00 17.34 N ATOM 133 CA ILE A 16 19.565 119.382 71.180 1.00 16.42 C ATOM 134 C ILE A 16 18.517 119.053 72.240 1.00 19.07 C ATOM 135 O ILE A 16 17.496 118.431 71.947 1.00 25.11 O ATOM 136 CB ILE A 16 19.312 120.804 70.627 1.00 17.84 C ATOM 137 CG1 ILE A 16 19.784 121.869 71.619 1.00 23.73 C ATOM 138 CG2 ILE A 16 17.844 120.995 70.236 1.00 20.11 C ATOM 139 CD1 ILE A 16 20.216 123.136 70.952 1.00 22.44 C ATOM 140 HA ILE A 16 20.543 119.339 71.659 1.00 0.00 H ATOM 141 HB ILE A 16 19.901 120.923 69.718 1.00 0.00 H ATOM 142 HG12 ILE A 16 18.965 122.097 72.301 1.00 0.00 H ATOM 143 HG13 ILE A 16 20.626 121.469 72.185 1.00 0.00 H ATOM 144 HD11 ILE A 16 21.042 122.924 70.273 1.00 0.00 H ATOM 145 HD12 ILE A 16 19.380 123.552 70.390 1.00 0.00 H ATOM 146 HD13 ILE A 16 20.539 123.851 71.708 1.00 0.00 H ATOM 147 HG21 ILE A 16 17.577 120.270 69.467 1.00 0.00 H ATOM 148 HG22 ILE A 16 17.213 120.846 71.112 1.00 0.00 H ATOM 149 HG23 ILE A 16 17.700 122.005 69.851 1.00 0.00 H ATOM 150 H ILE A 16 18.790 117.757 69.975 1.00 0.00 H ATOM 151 N THR A 17 18.780 119.474 73.473 1.00 18.70 N ATOM 152 CA THR A 17 17.819 119.312 74.552 1.00 25.19 C ATOM 153 C THR A 17 16.839 120.475 74.540 1.00 34.45 C ATOM 154 O THR A 17 17.102 121.513 73.925 1.00 25.52 O ATOM 155 CB THR A 17 18.513 119.204 75.924 1.00 39.59 C ATOM 156 OG1 THR A 17 19.259 120.398 76.190 1.00 52.32 O ATOM 157 CG2 THR A 17 19.453 118.016 75.934 1.00 37.67 C ATOM 158 HA THR A 17 17.279 118.379 74.390 1.00 0.00 H ATOM 159 HB THR A 17 17.752 119.073 76.693 1.00 0.00 H ATOM 160 HG1 THR A 17 19.701 120.320 77.072 1.00 0.00 H ATOM 161 HG23 THR A 17 18.888 117.106 75.732 1.00 0.00 H ATOM 162 HG21 THR A 17 20.215 118.151 75.166 1.00 0.00 H ATOM 163 HG22 THR A 17 19.930 117.940 76.911 1.00 0.00 H ATOM 164 H THR A 17 19.694 119.930 73.670 1.00 0.00 H ATOM 165 N ASP A 18 15.706 120.299 75.211 1.00 30.85 N ATOM 166 CA ASP A 18 14.604 121.251 75.106 1.00 34.40 C ATOM 167 C ASP A 18 14.934 122.635 75.664 1.00 29.77 C ATOM 168 O ASP A 18 14.600 123.651 75.052 1.00 26.06 O ATOM 169 CB ASP A 18 13.342 120.690 75.771 1.00 48.15 C ATOM 170 CG ASP A 18 12.555 119.775 74.848 1.00 60.31 C ATOM 171 OD1 ASP A 18 12.436 120.102 73.646 1.00 63.46 O ATOM 172 OD2 ASP A 18 12.060 118.729 75.321 1.00 65.44 O ATOM 173 HA ASP A 18 14.424 121.389 74.040 1.00 0.00 H ATOM 174 HB2 ASP A 18 13.635 120.126 76.657 1.00 0.00 H ATOM 175 HB3 ASP A 18 12.703 121.522 76.067 1.00 0.00 H ATOM 176 H ASP A 18 15.602 119.465 75.824 1.00 0.00 H ATOM 177 N LYS A 19 15.586 122.662 76.821 1.00 29.26 N ATOM 178 CA LYS A 19 15.909 123.908 77.499 1.00 32.62 C ATOM 179 C LYS A 19 16.879 124.743 76.670 1.00 35.41 C ATOM 180 O LYS A 19 16.662 125.937 76.458 1.00 25.98 O ATOM 181 CB LYS A 19 16.490 123.618 78.881 1.00 32.45 C ATOM 182 CG LYS A 19 17.198 124.791 79.542 1.00 44.06 C ATOM 183 CD LYS A 19 16.279 125.987 79.771 1.00 49.89 C ATOM 184 CE LYS A 19 17.029 127.108 80.489 1.00 51.98 C ATOM 185 NZ LYS A 19 16.298 128.405 80.469 1.00 47.33 N ATOM 186 HA LYS A 19 14.992 124.484 77.620 1.00 0.00 H ATOM 187 HB2 LYS A 19 15.674 123.305 79.532 1.00 0.00 H ATOM 188 HB3 LYS A 19 17.207 122.803 78.782 1.00 0.00 H ATOM 189 HG2 LYS A 19 17.589 124.463 80.505 1.00 0.00 H ATOM 190 HG3 LYS A 19 18.024 125.104 78.903 1.00 0.00 H ATOM 191 HD2 LYS A 19 15.920 126.354 78.809 1.00 0.00 H ATOM 192 HD3 LYS A 19 15.430 125.676 80.379 1.00 0.00 H ATOM 193 HE2 LYS A 19 17.995 127.246 80.003 1.00 0.00 H ATOM 194 HE3 LYS A 19 17.184 126.813 81.527 1.00 0.00 H ATOM 195 HZ1 LYS A 19 16.151 128.704 79.484 1.00 0.00 H ATOM 196 HZ2 LYS A 19 15.377 128.290 80.938 1.00 0.00 H ATOM 197 HZ3 LYS A 19 16.857 129.124 80.971 1.00 0.00 H ATOM 198 H LYS A 19 15.875 121.763 77.256 1.00 0.00 H ATOM 199 N LEU A 20 17.946 124.105 76.203 1.00 24.64 N ATOM 200 CA LEU A 20 18.923 124.769 75.364 1.00 22.22 C ATOM 201 C LEU A 20 18.274 125.280 74.066 1.00 18.58 C ATOM 202 O LEU A 20 18.537 126.396 73.634 1.00 19.08 O ATOM 203 CB LEU A 20 20.093 123.827 75.078 1.00 21.73 C ATOM 204 CG LEU A 20 21.232 124.379 74.222 1.00 26.14 C ATOM 205 CD1 LEU A 20 21.702 125.734 74.749 1.00 33.00 C ATOM 206 CD2 LEU A 20 22.377 123.385 74.193 1.00 24.46 C ATOM 207 HA LEU A 20 19.311 125.639 75.894 1.00 0.00 H ATOM 208 HB2 LEU A 20 20.517 123.527 76.037 1.00 0.00 H ATOM 209 HB3 LEU A 20 19.693 122.950 74.569 1.00 0.00 H ATOM 210 HG LEU A 20 20.868 124.528 73.205 1.00 0.00 H ATOM 211 HD21 LEU A 20 22.736 123.216 75.208 1.00 0.00 H ATOM 212 HD22 LEU A 20 22.028 122.444 73.769 1.00 0.00 H ATOM 213 HD23 LEU A 20 23.187 123.783 73.581 1.00 0.00 H ATOM 214 HD11 LEU A 20 20.871 126.439 74.726 1.00 0.00 H ATOM 215 HD12 LEU A 20 22.056 125.621 75.774 1.00 0.00 H ATOM 216 HD13 LEU A 20 22.513 126.105 74.122 1.00 0.00 H ATOM 217 H LEU A 20 18.084 123.103 76.446 1.00 0.00 H ATOM 218 N LYS A 21 17.401 124.475 73.470 1.00 17.16 N ATOM 219 CA LYS A 21 16.699 124.893 72.257 1.00 21.23 C ATOM 220 C LYS A 21 15.848 126.143 72.494 1.00 20.86 C ATOM 221 O LYS A 21 15.908 127.102 71.730 1.00 16.60 O ATOM 222 CB LYS A 21 15.824 123.757 71.716 1.00 20.88 C ATOM 223 CG LYS A 21 15.074 124.115 70.452 1.00 25.83 C ATOM 224 CD LYS A 21 14.253 122.946 69.919 1.00 34.46 C ATOM 225 CE LYS A 21 13.043 122.675 70.793 1.00 44.08 C ATOM 226 NZ LYS A 21 12.079 121.757 70.127 1.00 49.40 N ATOM 227 HA LYS A 21 17.459 125.140 71.516 1.00 0.00 H ATOM 228 HB2 LYS A 21 16.464 122.900 71.506 1.00 0.00 H ATOM 229 HB3 LYS A 21 15.098 123.487 72.483 1.00 0.00 H ATOM 230 HG2 LYS A 21 14.403 124.947 70.665 1.00 0.00 H ATOM 231 HG3 LYS A 21 15.793 124.416 69.690 1.00 0.00 H ATOM 232 HD2 LYS A 21 13.916 123.180 68.909 1.00 0.00 H ATOM 233 HD3 LYS A 21 14.880 122.054 69.894 1.00 0.00 H ATOM 234 HE2 LYS A 21 12.542 123.619 71.007 1.00 0.00 H ATOM 235 HE3 LYS A 21 13.376 122.222 71.727 1.00 0.00 H ATOM 236 HZ1 LYS A 21 11.752 122.185 69.237 1.00 0.00 H ATOM 237 HZ2 LYS A 21 12.548 120.851 69.925 1.00 0.00 H ATOM 238 HZ3 LYS A 21 11.266 121.596 70.755 1.00 0.00 H ATOM 239 H LYS A 21 17.214 123.534 73.872 1.00 0.00 H ATOM 240 N GLU A 22 15.053 126.139 73.557 1.00 20.60 N ATOM 241 CA GLU A 22 14.179 127.276 73.821 1.00 25.78 C ATOM 242 C GLU A 22 14.993 128.551 74.040 1.00 20.33 C ATOM 243 O GLU A 22 14.605 129.622 73.585 1.00 24.16 O ATOM 244 CB GLU A 22 13.247 126.995 75.006 1.00 39.63 C ATOM 245 CG GLU A 22 12.295 128.144 75.356 1.00 57.58 C ATOM 246 CD GLU A 22 11.232 128.426 74.292 1.00 67.50 C ATOM 247 OE1 GLU A 22 11.156 127.697 73.276 1.00 69.16 O ATOM 248 OE2 GLU A 22 10.461 129.391 74.483 1.00 71.52 O ATOM 249 HA GLU A 22 13.552 127.430 72.942 1.00 0.00 H ATOM 250 HB2 GLU A 22 12.647 126.117 74.766 1.00 0.00 H ATOM 251 HB3 GLU A 22 13.863 126.785 75.881 1.00 0.00 H ATOM 252 HG2 GLU A 22 11.788 127.896 76.288 1.00 0.00 H ATOM 253 HG3 GLU A 22 12.887 129.048 75.496 1.00 0.00 H ATOM 254 H GLU A 22 15.053 125.324 74.203 1.00 0.00 H ATOM 255 N ASP A 23 16.135 128.417 74.710 1.00 19.79 N ATOM 256 CA ASP A 23 17.032 129.544 74.940 1.00 24.55 C ATOM 257 C ASP A 23 17.601 130.097 73.634 1.00 23.01 C ATOM 258 O ASP A 23 17.575 131.308 73.408 1.00 16.93 O ATOM 259 CB ASP A 23 18.173 129.152 75.881 1.00 23.97 C ATOM 260 CG ASP A 23 17.892 129.518 77.317 1.00 41.67 C ATOM 261 OD1 ASP A 23 16.707 129.707 77.662 1.00 42.34 O ATOM 262 OD2 ASP A 23 18.858 129.613 78.103 1.00 51.77 O ATOM 263 HA ASP A 23 16.439 130.330 75.408 1.00 0.00 H ATOM 264 HB2 ASP A 23 18.323 128.074 75.818 1.00 0.00 H ATOM 265 HB3 ASP A 23 19.081 129.663 75.561 1.00 0.00 H ATOM 266 H ASP A 23 16.396 127.481 75.081 1.00 0.00 H ATOM 267 N ILE A 24 18.115 129.215 72.780 1.00 14.26 N ATOM 268 CA ILE A 24 18.625 129.647 71.474 1.00 11.51 C ATOM 269 C ILE A 24 17.568 130.388 70.659 1.00 18.20 C ATOM 270 O ILE A 24 17.844 131.441 70.089 1.00 17.47 O ATOM 271 CB ILE A 24 19.169 128.471 70.652 1.00 13.26 C ATOM 272 CG1 ILE A 24 20.384 127.856 71.354 1.00 12.62 C ATOM 273 CG2 ILE A 24 19.517 128.918 69.217 1.00 11.69 C ATOM 274 CD1 ILE A 24 20.936 126.647 70.663 1.00 13.99 C ATOM 275 HA ILE A 24 19.444 130.334 71.688 1.00 0.00 H ATOM 276 HB ILE A 24 18.395 127.708 70.578 1.00 0.00 H ATOM 277 HG12 ILE A 24 21.169 128.610 71.406 1.00 0.00 H ATOM 278 HG13 ILE A 24 20.089 127.570 72.364 1.00 0.00 H ATOM 279 HD11 ILE A 24 20.167 125.876 70.613 1.00 0.00 H ATOM 280 HD12 ILE A 24 21.248 126.917 69.654 1.00 0.00 H ATOM 281 HD13 ILE A 24 21.793 126.271 71.221 1.00 0.00 H ATOM 282 HG21 ILE A 24 18.621 129.302 68.730 1.00 0.00 H ATOM 283 HG22 ILE A 24 20.275 129.700 69.255 1.00 0.00 H ATOM 284 HG23 ILE A 24 19.900 128.066 68.655 1.00 0.00 H ATOM 285 H ILE A 24 18.156 128.209 73.041 1.00 0.00 H ATOM 286 N LEU A 25 16.359 129.834 70.604 1.00 19.66 N ATOM 287 CA LEU A 25 15.266 130.445 69.859 1.00 16.78 C ATOM 288 C LEU A 25 14.875 131.813 70.416 1.00 19.19 C ATOM 289 O LEU A 25 14.609 132.749 69.663 1.00 14.98 O ATOM 290 CB LEU A 25 14.037 129.529 69.861 1.00 16.20 C ATOM 291 CG LEU A 25 14.158 128.179 69.145 1.00 18.06 C ATOM 292 CD1 LEU A 25 12.802 127.473 69.099 1.00 22.45 C ATOM 293 CD2 LEU A 25 14.711 128.349 67.751 1.00 16.38 C ATOM 294 HA LEU A 25 15.624 130.586 68.839 1.00 0.00 H ATOM 295 HB2 LEU A 25 13.783 129.325 70.901 1.00 0.00 H ATOM 296 HB3 LEU A 25 13.221 130.077 69.390 1.00 0.00 H ATOM 297 HG LEU A 25 14.855 127.561 69.711 1.00 0.00 H ATOM 298 HD21 LEU A 25 14.046 128.991 67.174 1.00 0.00 H ATOM 299 HD22 LEU A 25 15.700 128.804 67.807 1.00 0.00 H ATOM 300 HD23 LEU A 25 14.785 127.374 67.269 1.00 0.00 H ATOM 301 HD11 LEU A 25 12.447 127.304 70.116 1.00 0.00 H ATOM 302 HD12 LEU A 25 12.087 128.096 68.562 1.00 0.00 H ATOM 303 HD13 LEU A 25 12.909 126.517 68.587 1.00 0.00 H ATOM 304 H LEU A 25 16.190 128.940 71.107 1.00 0.00 H ATOM 305 N THR A 26 14.823 131.909 71.740 1.00 17.47 N ATOM 306 CA THR A 26 14.524 133.163 72.418 1.00 21.09 C ATOM 307 C THR A 26 15.589 134.222 72.158 1.00 19.43 C ATOM 308 O THR A 26 15.280 135.354 71.787 1.00 16.07 O ATOM 309 CB THR A 26 14.433 132.947 73.931 1.00 22.22 C ATOM 310 OG1 THR A 26 13.320 132.097 74.209 1.00 25.24 O ATOM 311 CG2 THR A 26 14.251 134.272 74.634 1.00 19.50 C ATOM 312 HA THR A 26 13.570 133.510 72.020 1.00 0.00 H ATOM 313 HB THR A 26 15.352 132.485 74.290 1.00 0.00 H ATOM 314 HG1 THR A 26 13.448 131.228 73.753 1.00 0.00 H ATOM 315 HG23 THR A 26 15.103 134.916 74.418 1.00 0.00 H ATOM 316 HG21 THR A 26 13.336 134.747 74.280 1.00 0.00 H ATOM 317 HG22 THR A 26 14.183 134.105 75.709 1.00 0.00 H ATOM 318 H THR A 26 15.002 131.059 72.312 1.00 0.00 H ATOM 319 N ILE A 27 16.846 133.852 72.365 1.00 18.79 N ATOM 320 CA ILE A 27 17.955 134.753 72.087 1.00 18.43 C ATOM 321 C ILE A 27 17.952 135.192 70.611 1.00 15.47 C ATOM 322 O ILE A 27 18.231 136.352 70.298 1.00 17.12 O ATOM 323 CB ILE A 27 19.297 134.098 72.461 1.00 15.73 C ATOM 324 CG1 ILE A 27 19.390 133.925 73.981 1.00 20.46 C ATOM 325 CG2 ILE A 27 20.466 134.906 71.918 1.00 15.33 C ATOM 326 CD1 ILE A 27 20.604 133.131 74.435 1.00 21.00 C ATOM 327 HA ILE A 27 17.828 135.644 72.702 1.00 0.00 H ATOM 328 HB ILE A 27 19.347 133.110 72.002 1.00 0.00 H ATOM 329 HG12 ILE A 27 19.435 134.914 74.438 1.00 0.00 H ATOM 330 HG13 ILE A 27 18.493 133.409 74.324 1.00 0.00 H ATOM 331 HD11 ILE A 27 20.569 132.134 73.997 1.00 0.00 H ATOM 332 HD12 ILE A 27 21.512 133.640 74.111 1.00 0.00 H ATOM 333 HD13 ILE A 27 20.599 133.052 75.522 1.00 0.00 H ATOM 334 HG21 ILE A 27 20.394 134.962 70.832 1.00 0.00 H ATOM 335 HG22 ILE A 27 20.437 135.911 72.338 1.00 0.00 H ATOM 336 HG23 ILE A 27 21.402 134.421 72.197 1.00 0.00 H ATOM 337 H ILE A 27 17.043 132.900 72.733 1.00 0.00 H ATOM 338 N SER A 28 17.601 134.274 69.713 1.00 16.53 N ATOM 339 CA SER A 28 17.584 134.582 68.279 1.00 15.67 C ATOM 340 C SER A 28 16.443 135.525 67.883 1.00 12.03 C ATOM 341 O SER A 28 16.622 136.415 67.048 1.00 13.97 O ATOM 342 CB SER A 28 17.535 133.295 67.441 1.00 12.31 C ATOM 343 OG SER A 28 18.714 132.524 67.640 1.00 12.68 O ATOM 344 HA SER A 28 18.515 135.108 68.067 1.00 0.00 H ATOM 345 HB2 SER A 28 17.451 133.557 66.386 1.00 0.00 H ATOM 346 HB3 SER A 28 16.667 132.706 67.738 1.00 0.00 H ATOM 347 HG SER A 28 18.791 132.282 68.597 1.00 0.00 H ATOM 348 H SER A 28 17.334 133.321 70.034 1.00 0.00 H ATOM 349 N LYS A 29 15.266 135.332 68.466 1.00 10.40 N ATOM 350 CA LYS A 29 14.168 136.265 68.229 1.00 16.25 C ATOM 351 C LYS A 29 14.524 137.673 68.717 1.00 23.37 C ATOM 352 O LYS A 29 14.266 138.659 68.030 1.00 19.21 O ATOM 353 CB LYS A 29 12.877 135.778 68.905 1.00 28.26 C ATOM 354 CG LYS A 29 12.273 134.542 68.241 1.00 47.90 C ATOM 355 CD LYS A 29 10.823 134.319 68.656 1.00 58.09 C ATOM 356 CE LYS A 29 10.718 133.897 70.114 1.00 66.98 C ATOM 357 NZ LYS A 29 11.358 132.575 70.363 1.00 70.83 N ATOM 358 HA LYS A 29 14.000 136.308 67.153 1.00 0.00 H ATOM 359 HB2 LYS A 29 13.100 135.538 69.944 1.00 0.00 H ATOM 360 HB3 LYS A 29 12.143 136.583 68.869 1.00 0.00 H ATOM 361 HG2 LYS A 29 12.314 134.668 67.159 1.00 0.00 H ATOM 362 HG3 LYS A 29 12.859 133.668 68.526 1.00 0.00 H ATOM 363 HD2 LYS A 29 10.267 135.246 68.515 1.00 0.00 H ATOM 364 HD3 LYS A 29 10.391 133.539 68.029 1.00 0.00 H ATOM 365 HE2 LYS A 29 9.665 133.835 70.387 1.00 0.00 H ATOM 366 HE3 LYS A 29 11.209 134.648 70.734 1.00 0.00 H ATOM 367 HZ1 LYS A 29 10.891 131.850 69.781 1.00 0.00 H ATOM 368 HZ2 LYS A 29 12.366 132.626 70.112 1.00 0.00 H ATOM 369 HZ3 LYS A 29 11.262 132.329 71.369 1.00 0.00 H ATOM 370 H LYS A 29 15.126 134.514 69.093 1.00 0.00 H ATOM 371 N ASP A 30 15.115 137.763 69.905 1.00 20.47 N ATOM 372 CA ASP A 30 15.490 139.060 70.465 1.00 19.46 C ATOM 373 C ASP A 30 16.561 139.714 69.588 1.00 18.06 C ATOM 374 O ASP A 30 16.566 140.936 69.391 1.00 18.31 O ATOM 375 CB ASP A 30 15.992 138.922 71.909 1.00 22.76 C ATOM 376 CG ASP A 30 14.860 138.767 72.927 1.00 32.93 C ATOM 377 OD1 ASP A 30 13.672 138.871 72.549 1.00 28.87 O ATOM 378 OD2 ASP A 30 15.164 138.552 74.121 1.00 39.23 O ATOM 379 HA ASP A 30 14.603 139.693 70.483 1.00 0.00 H ATOM 380 HB2 ASP A 30 16.636 138.045 71.970 1.00 0.00 H ATOM 381 HB3 ASP A 30 16.568 139.812 72.163 1.00 0.00 H ATOM 382 H ASP A 30 15.314 136.896 70.444 1.00 0.00 H ATOM 383 N ALA A 31 17.451 138.887 69.047 1.00 17.36 N ATOM 384 CA ALA A 31 18.515 139.350 68.159 1.00 15.37 C ATOM 385 C ALA A 31 17.980 140.068 66.923 1.00 20.40 C ATOM 386 O ALA A 31 18.548 141.062 66.482 1.00 16.51 O ATOM 387 CB ALA A 31 19.398 138.178 67.742 1.00 11.74 C ATOM 388 HA ALA A 31 19.105 140.075 68.720 1.00 0.00 H ATOM 389 HB1 ALA A 31 19.843 137.726 68.629 1.00 0.00 H ATOM 390 HB2 ALA A 31 18.793 137.437 67.220 1.00 0.00 H ATOM 391 HB3 ALA A 31 20.187 138.536 67.081 1.00 0.00 H ATOM 392 H ALA A 31 17.387 137.872 69.264 1.00 0.00 H ATOM 393 N LEU A 32 16.897 139.542 66.361 1.00 18.01 N ATOM 394 CA LEU A 32 16.248 140.133 65.189 1.00 14.74 C ATOM 395 C LEU A 32 15.641 141.500 65.464 1.00 17.62 C ATOM 396 O LEU A 32 15.589 142.349 64.575 1.00 20.09 O ATOM 397 CB LEU A 32 15.144 139.213 64.681 1.00 23.95 C ATOM 398 CG LEU A 32 15.621 138.014 63.881 1.00 26.16 C ATOM 399 CD1 LEU A 32 14.439 137.136 63.544 1.00 31.23 C ATOM 400 CD2 LEU A 32 16.283 138.524 62.620 1.00 24.71 C ATOM 401 HA LEU A 32 17.032 140.258 64.442 1.00 0.00 H ATOM 402 HB2 LEU A 32 14.588 138.844 65.543 1.00 0.00 H ATOM 403 HB3 LEU A 32 14.480 139.800 64.046 1.00 0.00 H ATOM 404 HG LEU A 32 16.335 137.423 64.455 1.00 0.00 H ATOM 405 HD21 LEU A 32 15.562 139.100 62.040 1.00 0.00 H ATOM 406 HD22 LEU A 32 17.128 139.159 62.886 1.00 0.00 H ATOM 407 HD23 LEU A 32 16.634 137.679 62.028 1.00 0.00 H ATOM 408 HD11 LEU A 32 13.966 136.796 64.465 1.00 0.00 H ATOM 409 HD12 LEU A 32 13.721 137.706 62.955 1.00 0.00 H ATOM 410 HD13 LEU A 32 14.780 136.275 62.970 1.00 0.00 H ATOM 411 H LEU A 32 16.494 138.675 66.770 1.00 0.00 H ATOM 412 N ASP A 33 15.172 141.716 66.691 1.00 16.24 N ATOM 413 CA ASP A 33 14.601 143.015 67.051 1.00 12.42 C ATOM 414 C ASP A 33 15.695 144.053 67.281 1.00 18.40 C ATOM 415 O ASP A 33 15.460 145.253 67.145 1.00 24.91 O ATOM 416 CB ASP A 33 13.755 142.903 68.321 1.00 22.54 C ATOM 417 CG ASP A 33 12.399 142.269 68.074 1.00 37.28 C ATOM 418 OD1 ASP A 33 11.851 142.448 66.966 1.00 37.09 O ATOM 419 OD2 ASP A 33 11.877 141.599 68.995 1.00 42.45 O ATOM 420 HA ASP A 33 13.973 143.332 66.218 1.00 0.00 H ATOM 421 HB2 ASP A 33 14.296 142.296 69.047 1.00 0.00 H ATOM 422 HB3 ASP A 33 13.603 143.903 68.727 1.00 0.00 H ATOM 423 H ASP A 33 15.212 140.956 67.400 1.00 0.00 H ATOM 424 N LYS A 34 16.883 143.579 67.643 1.00 18.12 N ATOM 425 CA LYS A 34 18.012 144.444 67.975 1.00 18.41 C ATOM 426 C LYS A 34 18.830 144.876 66.770 1.00 21.70 C ATOM 427 O LYS A 34 19.332 146.000 66.723 1.00 20.11 O ATOM 428 CB LYS A 34 18.967 143.715 68.915 1.00 20.47 C ATOM 429 CG LYS A 34 18.573 143.700 70.376 1.00 26.94 C ATOM 430 CD LYS A 34 19.599 142.852 71.103 1.00 27.97 C ATOM 431 CE LYS A 34 19.364 142.784 72.586 1.00 33.41 C ATOM 432 NZ LYS A 34 20.424 141.937 73.193 1.00 34.27 N ATOM 433 HA LYS A 34 17.571 145.330 68.431 1.00 0.00 H ATOM 434 HB2 LYS A 34 19.043 142.681 68.579 1.00 0.00 H ATOM 435 HB3 LYS A 34 19.943 144.194 68.837 1.00 0.00 H ATOM 436 HG2 LYS A 34 18.575 144.714 70.775 1.00 0.00 H ATOM 437 HG3 LYS A 34 17.579 143.267 70.492 1.00 0.00 H ATOM 438 HD2 LYS A 34 19.562 141.840 70.699 1.00 0.00 H ATOM 439 HD3 LYS A 34 20.587 143.276 70.927 1.00 0.00 H ATOM 440 HE2 LYS A 34 18.385 142.347 72.784 1.00 0.00 H ATOM 441 HE3 LYS A 34 19.405 143.787 73.012 1.00 0.00 H ATOM 442 HZ1 LYS A 34 20.381 140.983 72.782 1.00 0.00 H ATOM 443 HZ2 LYS A 34 21.355 142.358 72.999 1.00 0.00 H ATOM 444 HZ3 LYS A 34 20.275 141.880 74.221 1.00 0.00 H ATOM 445 H LYS A 34 17.014 142.548 67.692 1.00 0.00 H ATOM 446 N TYR A 35 19.003 143.967 65.816 1.00 18.67 N ATOM 447 CA TYR A 35 19.946 144.190 64.729 1.00 19.46 C ATOM 448 C TYR A 35 19.297 143.968 63.367 1.00 17.24 C ATOM 449 O TYR A 35 18.367 143.171 63.232 1.00 19.51 O ATOM 450 CB TYR A 35 21.171 143.277 64.877 1.00 23.48 C ATOM 451 CG TYR A 35 22.047 143.584 66.079 1.00 25.84 C ATOM 452 CD1 TYR A 35 22.938 144.648 66.061 1.00 24.60 C ATOM 453 CD2 TYR A 35 21.988 142.799 67.228 1.00 28.00 C ATOM 454 CE1 TYR A 35 23.741 144.930 67.161 1.00 31.54 C ATOM 455 CE2 TYR A 35 22.781 143.071 68.327 1.00 32.20 C ATOM 456 CZ TYR A 35 23.656 144.139 68.288 1.00 37.57 C ATOM 457 OH TYR A 35 24.446 144.410 69.380 1.00 44.89 O ATOM 458 HA TYR A 35 20.266 145.230 64.787 1.00 0.00 H ATOM 459 HB3 TYR A 35 21.780 143.376 63.978 1.00 0.00 H ATOM 460 HB2 TYR A 35 20.820 142.249 64.965 1.00 0.00 H ATOM 461 HD2 TYR A 35 21.302 141.952 67.261 1.00 0.00 H ATOM 462 HE2 TYR A 35 22.716 142.447 69.218 1.00 0.00 H ATOM 463 HE1 TYR A 35 24.434 145.771 67.133 1.00 0.00 H ATOM 464 HD1 TYR A 35 23.010 145.273 65.171 1.00 0.00 H ATOM 465 HH TYR A 35 25.010 145.201 69.189 1.00 0.00 H ATOM 466 H TYR A 35 18.456 143.083 65.846 1.00 0.00 H ATOM 467 N GLN A 36 19.803 144.672 62.358 1.00 20.67 N ATOM 468 CA GLN A 36 19.313 144.514 60.993 1.00 28.13 C ATOM 469 C GLN A 36 20.223 143.616 60.145 1.00 15.82 C ATOM 470 O GLN A 36 19.745 142.877 59.285 1.00 23.81 O ATOM 471 CB GLN A 36 19.138 145.885 60.325 1.00 38.18 C ATOM 472 CG GLN A 36 18.094 146.795 60.994 1.00 53.74 C ATOM 473 CD GLN A 36 18.567 147.377 62.326 1.00 64.57 C ATOM 474 OE1 GLN A 36 19.756 147.647 62.510 1.00 72.75 O ATOM 475 NE2 GLN A 36 17.635 147.558 63.263 1.00 59.94 N ATOM 476 HA GLN A 36 18.344 144.019 61.055 1.00 0.00 H ATOM 477 HB2 GLN A 36 20.099 146.398 60.345 1.00 0.00 H ATOM 478 HB3 GLN A 36 18.835 145.723 59.290 1.00 0.00 H ATOM 479 HG2 GLN A 36 17.867 147.619 60.317 1.00 0.00 H ATOM 480 HG3 GLN A 36 17.190 146.213 61.172 1.00 0.00 H ATOM 481 HE22 GLN A 36 16.643 147.316 63.064 1.00 0.00 H ATOM 482 HE21 GLN A 36 17.900 147.941 64.193 1.00 0.00 H ATOM 483 H GLN A 36 20.567 145.352 62.547 1.00 0.00 H ATOM 484 N LEU A 37 21.529 143.683 60.392 1.00 15.90 N ATOM 485 CA LEU A 37 22.515 142.918 59.617 1.00 21.28 C ATOM 486 C LEU A 37 22.638 141.472 60.080 1.00 14.57 C ATOM 487 O LEU A 37 22.762 141.207 61.270 1.00 15.14 O ATOM 488 CB LEU A 37 23.904 143.553 59.727 1.00 25.54 C ATOM 489 CG LEU A 37 24.323 144.636 58.741 1.00 37.94 C ATOM 490 CD1 LEU A 37 25.707 145.139 59.113 1.00 43.97 C ATOM 491 CD2 LEU A 37 24.316 144.094 57.327 1.00 29.52 C ATOM 492 HA LEU A 37 22.154 142.934 58.588 1.00 0.00 H ATOM 493 HB2 LEU A 37 23.974 143.989 60.723 1.00 0.00 H ATOM 494 HB3 LEU A 37 24.629 142.744 59.634 1.00 0.00 H ATOM 495 HG LEU A 37 23.615 145.463 58.788 1.00 0.00 H ATOM 496 HD21 LEU A 37 25.013 143.259 57.256 1.00 0.00 H ATOM 497 HD22 LEU A 37 23.312 143.753 57.075 1.00 0.00 H ATOM 498 HD23 LEU A 37 24.618 144.881 56.636 1.00 0.00 H ATOM 499 HD11 LEU A 37 25.684 145.550 60.122 1.00 0.00 H ATOM 500 HD12 LEU A 37 26.416 144.312 59.073 1.00 0.00 H ATOM 501 HD13 LEU A 37 26.011 145.914 58.410 1.00 0.00 H ATOM 502 H LEU A 37 21.863 144.299 61.161 1.00 0.00 H ATOM 503 N GLU A 38 22.655 140.549 59.128 1.00 13.22 N ATOM 504 CA GLU A 38 22.775 139.127 59.444 1.00 10.73 C ATOM 505 C GLU A 38 24.009 138.839 60.282 1.00 14.58 C ATOM 506 O GLU A 38 23.955 138.046 61.224 1.00 16.28 O ATOM 507 CB GLU A 38 22.784 138.303 58.166 1.00 14.43 C ATOM 508 CG GLU A 38 21.434 138.332 57.456 1.00 11.82 C ATOM 509 CD GLU A 38 21.504 137.837 56.024 1.00 14.63 C ATOM 510 OE1 GLU A 38 22.617 137.725 55.469 1.00 14.07 O ATOM 511 OE2 GLU A 38 20.436 137.557 55.460 1.00 16.10 O ATOM 512 HA GLU A 38 21.907 138.842 60.039 1.00 0.00 H ATOM 513 HB2 GLU A 38 23.544 138.703 57.494 1.00 0.00 H ATOM 514 HB3 GLU A 38 23.029 137.270 58.415 1.00 0.00 H ATOM 515 HG2 GLU A 38 20.738 137.701 58.008 1.00 0.00 H ATOM 516 HG3 GLU A 38 21.066 139.358 57.451 1.00 0.00 H ATOM 517 H GLU A 38 22.581 140.844 58.133 1.00 0.00 H ATOM 518 N ARG A 39 25.110 139.511 59.960 1.00 9.16 N ATOM 519 CA ARG A 39 26.342 139.352 60.729 1.00 12.82 C ATOM 520 C ARG A 39 26.158 139.711 62.203 1.00 12.54 C ATOM 521 O ARG A 39 26.646 139.007 63.087 1.00 12.88 O ATOM 522 CB ARG A 39 27.460 140.206 60.139 1.00 12.81 C ATOM 523 CG ARG A 39 28.769 140.093 60.902 1.00 17.02 C ATOM 524 CD ARG A 39 29.706 141.231 60.550 1.00 21.75 C ATOM 525 NE ARG A 39 29.184 142.507 61.032 1.00 30.03 N ATOM 526 CZ ARG A 39 29.338 143.666 60.401 1.00 36.79 C ATOM 527 NH1 ARG A 39 29.997 143.713 59.250 1.00 36.55 N ATOM 528 NH2 ARG A 39 28.825 144.778 60.917 1.00 29.45 N ATOM 529 HA ARG A 39 26.611 138.298 60.669 1.00 0.00 H ATOM 530 HB2 ARG A 39 27.631 139.890 59.110 1.00 0.00 H ATOM 531 HB3 ARG A 39 27.142 141.248 60.150 1.00 0.00 H ATOM 532 HG2 ARG A 39 28.561 140.120 61.972 1.00 0.00 H ATOM 533 HG3 ARG A 39 29.248 139.147 60.650 1.00 0.00 H ATOM 534 HD2 ARG A 39 29.819 141.278 59.467 1.00 0.00 H ATOM 535 HD3 ARG A 39 30.678 141.047 61.008 1.00 0.00 H ATOM 536 HE ARG A 39 28.657 142.508 61.929 1.00 0.00 H ATOM 537 HH12 ARG A 39 30.117 144.620 58.756 1.00 0.00 H ATOM 538 HH11 ARG A 39 30.393 142.842 58.842 1.00 0.00 H ATOM 539 HH22 ARG A 39 28.946 145.685 60.422 1.00 0.00 H ATOM 540 HH21 ARG A 39 28.302 144.741 61.815 1.00 0.00 H ATOM 541 H ARG A 39 25.094 140.160 59.148 1.00 0.00 H ATOM 542 N ASP A 40 25.465 140.815 62.457 1.00 11.83 N ATOM 543 CA ASP A 40 25.278 141.291 63.822 1.00 10.15 C ATOM 544 C ASP A 40 24.279 140.434 64.586 1.00 9.59 C ATOM 545 O ASP A 40 24.410 140.230 65.796 1.00 11.96 O ATOM 546 CB ASP A 40 24.807 142.740 63.809 1.00 10.94 C ATOM 547 CG ASP A 40 25.879 143.690 63.299 1.00 26.24 C ATOM 548 OD1 ASP A 40 27.065 143.302 63.321 1.00 24.82 O ATOM 549 OD2 ASP A 40 25.535 144.817 62.890 1.00 23.73 O ATOM 550 HA ASP A 40 26.239 141.221 64.331 1.00 0.00 H ATOM 551 HB2 ASP A 40 23.932 142.819 63.164 1.00 0.00 H ATOM 552 HB3 ASP A 40 24.535 143.030 64.824 1.00 0.00 H ATOM 553 H ASP A 40 25.048 141.349 61.668 1.00 0.00 H ATOM 554 N ILE A 41 23.252 139.975 63.882 1.00 10.06 N ATOM 555 CA ILE A 41 22.313 139.025 64.456 1.00 15.71 C ATOM 556 C ILE A 41 23.063 137.768 64.915 1.00 15.73 C ATOM 557 O ILE A 41 22.907 137.342 66.054 1.00 10.62 O ATOM 558 CB ILE A 41 21.189 138.689 63.454 1.00 14.68 C ATOM 559 CG1 ILE A 41 20.379 139.964 63.175 1.00 12.49 C ATOM 560 CG2 ILE A 41 20.282 137.578 63.998 1.00 12.91 C ATOM 561 CD1 ILE A 41 19.544 139.910 61.900 1.00 9.49 C ATOM 562 HA ILE A 41 21.838 139.474 65.328 1.00 0.00 H ATOM 563 HB ILE A 41 21.629 138.324 62.526 1.00 0.00 H ATOM 564 HG12 ILE A 41 19.707 140.133 64.017 1.00 0.00 H ATOM 565 HG13 ILE A 41 21.074 140.799 63.093 1.00 0.00 H ATOM 566 HD11 ILE A 41 20.200 139.754 61.044 1.00 0.00 H ATOM 567 HD12 ILE A 41 18.832 139.087 61.968 1.00 0.00 H ATOM 568 HD13 ILE A 41 19.005 140.850 61.780 1.00 0.00 H ATOM 569 HG21 ILE A 41 20.875 136.680 64.174 1.00 0.00 H ATOM 570 HG22 ILE A 41 19.830 137.905 64.934 1.00 0.00 H ATOM 571 HG23 ILE A 41 19.499 137.362 63.271 1.00 0.00 H ATOM 572 H ILE A 41 23.117 140.300 62.903 1.00 0.00 H ATOM 573 N ALA A 42 23.907 137.212 64.042 1.00 10.38 N ATOM 574 CA ALA A 42 24.665 136.006 64.372 1.00 10.13 C ATOM 575 C ALA A 42 25.607 136.259 65.548 1.00 12.89 C ATOM 576 O ALA A 42 25.747 135.424 66.450 1.00 10.45 O ATOM 577 CB ALA A 42 25.467 135.516 63.137 1.00 6.83 C ATOM 578 HA ALA A 42 23.957 135.229 64.662 1.00 0.00 H ATOM 579 HB1 ALA A 42 24.777 135.291 62.323 1.00 0.00 H ATOM 580 HB2 ALA A 42 26.160 136.296 62.822 1.00 0.00 H ATOM 581 HB3 ALA A 42 26.025 134.618 63.401 1.00 0.00 H ATOM 582 H ALA A 42 24.028 137.647 63.105 1.00 0.00 H ATOM 583 N GLY A 43 26.245 137.422 65.527 1.00 10.29 N ATOM 584 CA GLY A 43 27.202 137.795 66.552 1.00 11.25 C ATOM 585 C GLY A 43 26.612 137.859 67.947 1.00 13.75 C ATOM 586 O GLY A 43 27.227 137.393 68.899 1.00 12.49 O ATOM 587 HA3 GLY A 43 27.606 138.777 66.304 1.00 0.00 H ATOM 588 HA2 GLY A 43 28.008 137.061 66.553 1.00 0.00 H ATOM 589 H GLY A 43 26.053 138.088 64.751 1.00 0.00 H ATOM 590 N THR A 44 25.421 138.435 68.085 1.00 12.30 N ATOM 591 CA THR A 44 24.854 138.583 69.419 1.00 14.40 C ATOM 592 C THR A 44 24.360 137.220 69.926 1.00 11.86 C ATOM 593 O THR A 44 24.432 136.941 71.113 1.00 10.71 O ATOM 594 CB THR A 44 23.766 139.698 69.506 1.00 21.50 C ATOM 595 OG1 THR A 44 23.467 139.991 70.883 1.00 17.12 O ATOM 596 CG2 THR A 44 22.505 139.289 68.794 1.00 17.01 C ATOM 597 HA THR A 44 25.645 138.928 70.085 1.00 0.00 H ATOM 598 HB THR A 44 24.163 140.589 69.019 1.00 0.00 H ATOM 599 HG1 THR A 44 23.131 139.173 71.328 1.00 0.00 H ATOM 600 HG23 THR A 44 22.733 139.068 67.751 1.00 0.00 H ATOM 601 HG21 THR A 44 22.090 138.402 69.273 1.00 0.00 H ATOM 602 HG22 THR A 44 21.781 140.102 68.844 1.00 0.00 H ATOM 603 H THR A 44 24.901 138.775 67.251 1.00 0.00 H ATOM 604 N VAL A 45 23.881 136.366 69.023 1.00 11.03 N ATOM 605 CA VAL A 45 23.507 135.012 69.424 1.00 10.43 C ATOM 606 C VAL A 45 24.738 134.236 69.905 1.00 12.03 C ATOM 607 O VAL A 45 24.739 133.660 70.997 1.00 11.48 O ATOM 608 CB VAL A 45 22.806 134.260 68.282 1.00 13.03 C ATOM 609 CG1 VAL A 45 22.537 132.812 68.667 1.00 14.48 C ATOM 610 CG2 VAL A 45 21.501 134.970 67.910 1.00 11.53 C ATOM 611 HA VAL A 45 22.800 135.093 70.249 1.00 0.00 H ATOM 612 HB VAL A 45 23.466 134.258 67.414 1.00 0.00 H ATOM 613 HG11 VAL A 45 23.482 132.314 68.886 1.00 0.00 H ATOM 614 HG12 VAL A 45 21.897 132.785 69.549 1.00 0.00 H ATOM 615 HG13 VAL A 45 22.040 132.304 67.840 1.00 0.00 H ATOM 616 HG21 VAL A 45 20.843 134.997 68.779 1.00 0.00 H ATOM 617 HG22 VAL A 45 21.722 135.988 67.588 1.00 0.00 H ATOM 618 HG23 VAL A 45 21.013 134.429 67.100 1.00 0.00 H ATOM 619 H VAL A 45 23.773 136.663 68.032 1.00 0.00 H ATOM 620 N LYS A 46 25.791 134.250 69.094 1.00 11.68 N ATOM 621 CA LYS A 46 27.030 133.529 69.406 1.00 8.90 C ATOM 622 C LYS A 46 27.634 133.941 70.752 1.00 10.70 C ATOM 623 O LYS A 46 28.046 133.094 71.572 1.00 11.26 O ATOM 624 CB LYS A 46 28.043 133.728 68.260 1.00 9.64 C ATOM 625 CG LYS A 46 29.376 132.991 68.432 1.00 14.96 C ATOM 626 CD LYS A 46 30.403 133.825 69.211 1.00 15.51 C ATOM 627 CE LYS A 46 31.831 133.312 69.008 1.00 16.56 C ATOM 628 NZ LYS A 46 32.085 131.969 69.611 1.00 9.94 N ATOM 629 HA LYS A 46 26.784 132.471 69.497 1.00 0.00 H ATOM 630 HB2 LYS A 46 27.581 133.379 67.337 1.00 0.00 H ATOM 631 HB3 LYS A 46 28.255 134.794 68.178 1.00 0.00 H ATOM 632 HG2 LYS A 46 29.196 132.061 68.972 1.00 0.00 H ATOM 633 HG3 LYS A 46 29.782 132.765 67.446 1.00 0.00 H ATOM 634 HD2 LYS A 46 30.348 134.859 68.870 1.00 0.00 H ATOM 635 HD3 LYS A 46 30.160 133.780 70.273 1.00 0.00 H ATOM 636 HE2 LYS A 46 32.520 134.026 69.459 1.00 0.00 H ATOM 637 HE3 LYS A 46 32.024 133.249 67.937 1.00 0.00 H ATOM 638 HZ1 LYS A 46 31.917 132.013 70.636 1.00 0.00 H ATOM 639 HZ2 LYS A 46 31.444 131.271 69.183 1.00 0.00 H ATOM 640 HZ3 LYS A 46 33.071 131.691 69.432 1.00 0.00 H ATOM 641 H LYS A 46 25.735 134.791 68.207 1.00 0.00 H ATOM 642 N LYS A 47 27.716 135.246 70.976 1.00 12.88 N ATOM 643 CA LYS A 47 28.346 135.759 72.193 1.00 13.93 C ATOM 644 C LYS A 47 27.545 135.429 73.450 1.00 14.88 C ATOM 645 O LYS A 47 28.114 135.083 74.493 1.00 18.35 O ATOM 646 CB LYS A 47 28.545 137.267 72.081 1.00 16.38 C ATOM 647 CG LYS A 47 29.624 137.656 71.090 1.00 15.23 C ATOM 648 CD LYS A 47 29.502 139.129 70.693 1.00 23.09 C ATOM 649 CE LYS A 47 30.620 139.529 69.754 1.00 26.58 C ATOM 650 NZ LYS A 47 30.416 140.894 69.200 1.00 27.34 N ATOM 651 HA LYS A 47 29.313 135.264 72.289 1.00 0.00 H ATOM 652 HB2 LYS A 47 27.605 137.718 71.764 1.00 0.00 H ATOM 653 HB3 LYS A 47 28.820 137.654 73.062 1.00 0.00 H ATOM 654 HG2 LYS A 47 30.601 137.489 71.543 1.00 0.00 H ATOM 655 HG3 LYS A 47 29.528 137.037 70.198 1.00 0.00 H ATOM 656 HD2 LYS A 47 28.545 139.287 70.197 1.00 0.00 H ATOM 657 HD3 LYS A 47 29.551 139.746 71.590 1.00 0.00 H ATOM 658 HE2 LYS A 47 30.661 138.816 68.930 1.00 0.00 H ATOM 659 HE3 LYS A 47 31.564 139.507 70.299 1.00 0.00 H ATOM 660 HZ1 LYS A 47 29.520 140.922 68.672 1.00 0.00 H ATOM 661 HZ2 LYS A 47 30.382 141.582 69.979 1.00 0.00 H ATOM 662 HZ3 LYS A 47 31.203 141.129 68.562 1.00 0.00 H ATOM 663 H LYS A 47 27.328 135.912 70.278 1.00 0.00 H ATOM 664 N GLN A 48 26.224 135.538 73.350 1.00 13.74 N ATOM 665 CA GLN A 48 25.362 135.233 74.487 1.00 15.43 C ATOM 666 C GLN A 48 25.406 133.755 74.853 1.00 18.00 C ATOM 667 O GLN A 48 25.365 133.399 76.039 1.00 15.54 O ATOM 668 CB GLN A 48 23.932 135.660 74.203 1.00 15.35 C ATOM 669 CG GLN A 48 23.730 137.160 74.256 1.00 21.62 C ATOM 670 CD GLN A 48 22.288 137.538 74.034 1.00 18.78 C ATOM 671 OE1 GLN A 48 21.427 137.250 74.864 1.00 20.68 O ATOM 672 NE2 GLN A 48 22.012 138.177 72.910 1.00 18.87 N ATOM 673 HA GLN A 48 25.740 135.797 75.340 1.00 0.00 H ATOM 674 HB2 GLN A 48 23.657 135.309 73.208 1.00 0.00 H ATOM 675 HB3 GLN A 48 23.279 135.197 74.943 1.00 0.00 H ATOM 676 HG2 GLN A 48 24.044 137.524 75.234 1.00 0.00 H ATOM 677 HG3 GLN A 48 24.340 137.626 73.483 1.00 0.00 H ATOM 678 HE22 GLN A 48 22.774 138.399 72.238 1.00 0.00 H ATOM 679 HE21 GLN A 48 21.033 138.457 72.698 1.00 0.00 H ATOM 680 H GLN A 48 25.800 135.844 72.451 1.00 0.00 H ATOM 681 N LEU A 49 25.477 132.897 73.838 1.00 12.25 N ATOM 682 CA LEU A 49 25.576 131.459 74.084 1.00 13.53 C ATOM 683 C LEU A 49 26.929 131.081 74.690 1.00 17.45 C ATOM 684 O LEU A 49 26.987 130.249 75.604 1.00 18.97 O ATOM 685 CB LEU A 49 25.313 130.656 72.810 1.00 12.38 C ATOM 686 CG LEU A 49 23.903 130.785 72.227 1.00 10.35 C ATOM 687 CD1 LEU A 49 23.861 130.046 70.922 1.00 8.84 C ATOM 688 CD2 LEU A 49 22.834 130.249 73.184 1.00 10.09 C ATOM 689 HA LEU A 49 24.803 131.206 74.810 1.00 0.00 H ATOM 690 HB2 LEU A 49 26.022 130.988 72.051 1.00 0.00 H ATOM 691 HB3 LEU A 49 25.489 129.604 73.034 1.00 0.00 H ATOM 692 HG LEU A 49 23.681 131.841 72.072 1.00 0.00 H ATOM 693 HD21 LEU A 49 23.024 129.195 73.385 1.00 0.00 H ATOM 694 HD22 LEU A 49 22.869 130.811 74.117 1.00 0.00 H ATOM 695 HD23 LEU A 49 21.850 130.361 72.728 1.00 0.00 H ATOM 696 HD11 LEU A 49 24.590 130.479 70.237 1.00 0.00 H ATOM 697 HD12 LEU A 49 24.100 128.996 71.092 1.00 0.00 H ATOM 698 HD13 LEU A 49 22.863 130.127 70.492 1.00 0.00 H ATOM 699 H LEU A 49 25.462 133.253 72.861 1.00 0.00 H ATOM 700 N ASP A 50 28.012 131.687 74.190 1.00 13.69 N ATOM 701 CA ASP A 50 29.334 131.474 74.783 1.00 14.40 C ATOM 702 C ASP A 50 29.301 131.763 76.291 1.00 21.78 C ATOM 703 O ASP A 50 29.832 130.998 77.093 1.00 20.25 O ATOM 704 CB ASP A 50 30.392 132.367 74.127 1.00 13.58 C ATOM 705 CG ASP A 50 30.942 131.796 72.839 1.00 20.11 C ATOM 706 OD1 ASP A 50 30.683 130.609 72.538 1.00 16.55 O ATOM 707 OD2 ASP A 50 31.658 132.544 72.131 1.00 14.66 O ATOM 708 HA ASP A 50 29.600 130.431 74.614 1.00 0.00 H ATOM 709 HB2 ASP A 50 29.942 133.336 73.912 1.00 0.00 H ATOM 710 HB3 ASP A 50 31.217 132.498 74.827 1.00 0.00 H ATOM 711 H ASP A 50 27.914 132.318 73.369 1.00 0.00 H ATOM 712 N VAL A 51 28.660 132.864 76.673 1.00 14.82 N ATOM 713 CA VAL A 51 28.607 133.259 78.086 1.00 21.53 C ATOM 714 C VAL A 51 27.702 132.353 78.932 1.00 27.41 C ATOM 715 O VAL A 51 28.048 131.971 80.052 1.00 26.92 O ATOM 716 CB VAL A 51 28.181 134.731 78.245 1.00 24.13 C ATOM 717 CG1 VAL A 51 27.894 135.055 79.709 1.00 35.90 C ATOM 718 CG2 VAL A 51 29.266 135.641 77.712 1.00 28.08 C ATOM 719 HA VAL A 51 29.623 133.141 78.463 1.00 0.00 H ATOM 720 HB VAL A 51 27.267 134.892 77.674 1.00 0.00 H ATOM 721 HG11 VAL A 51 27.090 134.414 80.071 1.00 0.00 H ATOM 722 HG12 VAL A 51 28.793 134.882 80.301 1.00 0.00 H ATOM 723 HG13 VAL A 51 27.595 136.100 79.797 1.00 0.00 H ATOM 724 HG21 VAL A 51 30.187 135.470 78.269 1.00 0.00 H ATOM 725 HG22 VAL A 51 29.433 135.426 76.656 1.00 0.00 H ATOM 726 HG23 VAL A 51 28.957 136.680 77.828 1.00 0.00 H ATOM 727 H VAL A 51 28.188 133.455 75.959 1.00 0.00 H ATOM 728 N LYS A 52 26.551 131.994 78.384 1.00 23.29 N ATOM 729 CA LYS A 52 25.584 131.214 79.136 1.00 24.98 C ATOM 730 C LYS A 52 25.899 129.715 79.137 1.00 28.97 C ATOM 731 O LYS A 52 25.673 129.034 80.132 1.00 24.66 O ATOM 732 CB LYS A 52 24.170 131.468 78.608 1.00 25.98 C ATOM 733 CG LYS A 52 23.078 130.980 79.544 1.00 33.86 C ATOM 734 CD LYS A 52 21.715 131.474 79.113 1.00 42.22 C ATOM 735 CE LYS A 52 20.676 131.208 80.198 1.00 49.39 C ATOM 736 NZ LYS A 52 19.401 131.938 79.942 1.00 47.60 N ATOM 737 HA LYS A 52 25.647 131.545 80.173 1.00 0.00 H ATOM 738 HB2 LYS A 52 24.044 132.540 78.460 1.00 0.00 H ATOM 739 HB3 LYS A 52 24.061 130.955 77.652 1.00 0.00 H ATOM 740 HG2 LYS A 52 23.075 129.890 79.547 1.00 0.00 H ATOM 741 HG3 LYS A 52 23.285 131.344 80.550 1.00 0.00 H ATOM 742 HD2 LYS A 52 21.767 132.546 78.922 1.00 0.00 H ATOM 743 HD3 LYS A 52 21.419 130.957 78.200 1.00 0.00 H ATOM 744 HE2 LYS A 52 21.079 131.530 81.158 1.00 0.00 H ATOM 745 HE3 LYS A 52 20.469 130.138 80.232 1.00 0.00 H ATOM 746 HZ1 LYS A 52 19.588 132.961 79.914 1.00 0.00 H ATOM 747 HZ2 LYS A 52 19.005 131.632 79.030 1.00 0.00 H ATOM 748 HZ3 LYS A 52 18.724 131.728 80.703 1.00 0.00 H ATOM 749 H LYS A 52 26.338 132.273 77.405 1.00 0.00 H ATOM 750 N TYR A 53 26.433 129.203 78.035 1.00 21.16 N ATOM 751 CA TYR A 53 26.594 127.759 77.894 1.00 21.70 C ATOM 752 C TYR A 53 28.031 127.300 77.688 1.00 24.57 C ATOM 753 O TYR A 53 28.289 126.110 77.511 1.00 26.27 O ATOM 754 CB TYR A 53 25.684 127.229 76.782 1.00 20.42 C ATOM 755 CG TYR A 53 24.220 127.322 77.145 1.00 26.23 C ATOM 756 CD1 TYR A 53 23.630 126.359 77.957 1.00 32.85 C ATOM 757 CD2 TYR A 53 23.428 128.367 76.689 1.00 27.50 C ATOM 758 CE1 TYR A 53 22.297 126.429 78.300 1.00 32.66 C ATOM 759 CE2 TYR A 53 22.079 128.449 77.035 1.00 27.47 C ATOM 760 CZ TYR A 53 21.524 127.472 77.841 1.00 32.13 C ATOM 761 OH TYR A 53 20.191 127.522 78.198 1.00 33.42 O ATOM 762 HA TYR A 53 26.295 127.332 78.851 1.00 0.00 H ATOM 763 HB3 TYR A 53 25.933 126.185 76.593 1.00 0.00 H ATOM 764 HB2 TYR A 53 25.859 127.812 75.878 1.00 0.00 H ATOM 765 HD2 TYR A 53 23.867 129.135 76.051 1.00 0.00 H ATOM 766 HE2 TYR A 53 21.468 129.276 76.673 1.00 0.00 H ATOM 767 HE1 TYR A 53 21.855 125.660 78.934 1.00 0.00 H ATOM 768 HD1 TYR A 53 24.234 125.532 78.330 1.00 0.00 H ATOM 769 HH TYR A 53 20.015 128.360 78.694 1.00 0.00 H ATOM 770 H TYR A 53 26.739 129.834 77.267 1.00 0.00 H ATOM 771 N GLY A 54 28.966 128.242 77.734 1.00 20.78 N ATOM 772 CA GLY A 54 30.366 127.925 77.518 1.00 20.89 C ATOM 773 C GLY A 54 30.777 127.971 76.053 1.00 17.73 C ATOM 774 O GLY A 54 29.936 127.898 75.150 1.00 19.20 O ATOM 775 HA3 GLY A 54 30.556 126.922 77.899 1.00 0.00 H ATOM 776 HA2 GLY A 54 30.972 128.643 78.070 1.00 0.00 H ATOM 777 H GLY A 54 28.690 129.226 77.929 1.00 0.00 H ATOM 778 N ASN A 55 32.080 128.094 75.821 1.00 17.14 N ATOM 779 CA ASN A 55 32.639 128.083 74.473 1.00 14.93 C ATOM 780 C ASN A 55 32.508 126.676 73.895 1.00 14.67 C ATOM 781 O ASN A 55 32.436 125.724 74.667 1.00 19.70 O ATOM 782 CB ASN A 55 34.110 128.491 74.528 1.00 16.26 C ATOM 783 CG ASN A 55 34.310 129.891 75.079 1.00 24.82 C ATOM 784 OD1 ASN A 55 35.196 130.123 75.902 1.00 32.77 O ATOM 785 ND2 ASN A 55 33.487 130.829 74.629 1.00 17.61 N ATOM 786 HA ASN A 55 32.100 128.788 73.840 1.00 0.00 H ATOM 787 HB2 ASN A 55 34.644 127.786 75.165 1.00 0.00 H ATOM 788 HB3 ASN A 55 34.521 128.451 73.519 1.00 0.00 H ATOM 789 HD22 ASN A 55 32.753 130.587 73.933 1.00 0.00 H ATOM 790 HD21 ASN A 55 33.576 131.807 74.972 1.00 0.00 H ATOM 791 H ASN A 55 32.725 128.202 76.630 1.00 0.00 H ATOM 792 N THR A 56 32.486 126.509 72.569 1.00 15.00 N ATOM 793 CA THR A 56 32.621 127.564 71.572 1.00 15.16 C ATOM 794 C THR A 56 31.461 127.478 70.589 1.00 14.75 C ATOM 795 O THR A 56 31.300 126.465 69.903 1.00 15.40 O ATOM 796 CB THR A 56 33.903 127.360 70.753 1.00 15.81 C ATOM 797 OG1 THR A 56 35.041 127.368 71.624 1.00 18.63 O ATOM 798 CG2 THR A 56 34.052 128.449 69.708 1.00 13.38 C ATOM 799 HA THR A 56 32.641 128.522 72.092 1.00 0.00 H ATOM 800 HB THR A 56 33.839 126.398 70.245 1.00 0.00 H ATOM 801 HG1 THR A 56 35.864 127.236 71.090 1.00 0.00 H ATOM 802 HG23 THR A 56 33.184 128.439 69.048 1.00 0.00 H ATOM 803 HG21 THR A 56 34.123 129.418 70.202 1.00 0.00 H ATOM 804 HG22 THR A 56 34.955 128.270 69.125 1.00 0.00 H ATOM 805 H THR A 56 32.361 125.539 72.217 1.00 0.00 H ATOM 806 N TRP A 57 30.677 128.544 70.487 1.00 13.58 N ATOM 807 CA TRP A 57 29.545 128.560 69.568 1.00 10.76 C ATOM 808 C TRP A 57 29.843 129.218 68.210 1.00 12.65 C ATOM 809 O TRP A 57 30.718 130.073 68.090 1.00 10.72 O ATOM 810 CB TRP A 57 28.344 129.235 70.239 1.00 9.10 C ATOM 811 CG TRP A 57 27.775 128.424 71.379 1.00 10.13 C ATOM 812 CD1 TRP A 57 28.168 128.458 72.688 1.00 11.66 C ATOM 813 CD2 TRP A 57 26.701 127.469 71.308 1.00 13.77 C ATOM 814 NE1 TRP A 57 27.414 127.576 73.433 1.00 15.36 N ATOM 815 CE2 TRP A 57 26.503 126.961 72.614 1.00 13.48 C ATOM 816 CE3 TRP A 57 25.901 126.984 70.266 1.00 10.63 C ATOM 817 CZ2 TRP A 57 25.528 125.998 72.907 1.00 16.22 C ATOM 818 CZ3 TRP A 57 24.936 126.030 70.552 1.00 10.31 C ATOM 819 CH2 TRP A 57 24.760 125.540 71.864 1.00 14.55 C ATOM 820 HA TRP A 57 29.319 127.518 69.343 1.00 0.00 H ATOM 821 HB2 TRP A 57 28.660 130.204 70.625 1.00 0.00 H ATOM 822 HB3 TRP A 57 27.564 129.380 69.492 1.00 0.00 H ATOM 823 HE1 TRP A 57 27.520 127.405 74.453 1.00 0.00 H ATOM 824 HD1 TRP A 57 28.962 129.090 73.085 1.00 0.00 H ATOM 825 HZ2 TRP A 57 25.385 125.627 73.922 1.00 0.00 H ATOM 826 HH2 TRP A 57 23.999 124.783 72.053 1.00 0.00 H ATOM 827 HZ3 TRP A 57 24.302 125.652 69.750 1.00 0.00 H ATOM 828 HE3 TRP A 57 26.034 127.350 69.248 1.00 0.00 H ATOM 829 H TRP A 57 30.873 129.381 71.072 1.00 0.00 H ATOM 830 N HIS A 58 29.098 128.810 67.193 1.00 13.23 N ATOM 831 CA HIS A 58 29.234 129.381 65.857 1.00 9.08 C ATOM 832 C HIS A 58 27.824 129.575 65.311 1.00 7.06 C ATOM 833 O HIS A 58 26.956 128.717 65.509 1.00 10.83 O ATOM 834 CB HIS A 58 30.042 128.442 64.943 1.00 9.06 C ATOM 835 CG HIS A 58 31.278 127.889 65.586 1.00 11.80 C ATOM 836 ND1 HIS A 58 32.529 128.430 65.383 1.00 13.49 N ATOM 837 CD2 HIS A 58 31.453 126.847 66.436 1.00 7.43 C ATOM 838 CE1 HIS A 58 33.422 127.754 66.085 1.00 8.86 C ATOM 839 NE2 HIS A 58 32.794 126.789 66.736 1.00 11.04 N ATOM 840 HA HIS A 58 29.769 130.330 65.896 1.00 0.00 H ATOM 841 HB2 HIS A 58 29.402 127.608 64.654 1.00 0.00 H ATOM 842 HB3 HIS A 58 30.336 128.998 64.053 1.00 0.00 H ATOM 843 HD2 HIS A 58 30.676 126.180 66.811 1.00 0.00 H ATOM 844 HE1 HIS A 58 34.492 127.957 66.121 1.00 0.00 H ATOM 845 H HIS A 58 28.395 128.060 67.352 1.00 0.00 H ATOM 846 N VAL A 59 27.581 130.708 64.657 1.00 11.79 N ATOM 847 CA VAL A 59 26.235 131.027 64.175 1.00 11.47 C ATOM 848 C VAL A 59 26.253 131.531 62.738 1.00 11.27 C ATOM 849 O VAL A 59 27.035 132.419 62.396 1.00 11.16 O ATOM 850 CB VAL A 59 25.528 132.082 65.074 1.00 8.17 C ATOM 851 CG1 VAL A 59 24.103 132.384 64.564 1.00 7.67 C ATOM 852 CG2 VAL A 59 25.482 131.605 66.534 1.00 10.79 C ATOM 853 HA VAL A 59 25.673 130.094 64.218 1.00 0.00 H ATOM 854 HB VAL A 59 26.108 133.004 65.025 1.00 0.00 H ATOM 855 HG11 VAL A 59 24.157 132.773 63.547 1.00 0.00 H ATOM 856 HG12 VAL A 59 23.513 131.467 64.573 1.00 0.00 H ATOM 857 HG13 VAL A 59 23.636 133.124 65.213 1.00 0.00 H ATOM 858 HG21 VAL A 59 24.931 130.666 66.591 1.00 0.00 H ATOM 859 HG22 VAL A 59 26.498 131.454 66.898 1.00 0.00 H ATOM 860 HG23 VAL A 59 24.984 132.357 67.145 1.00 0.00 H ATOM 861 H VAL A 59 28.358 131.377 64.485 1.00 0.00 H ATOM 862 N ILE A 60 25.386 130.963 61.900 1.00 9.06 N ATOM 863 CA ILE A 60 25.185 131.479 60.555 1.00 8.85 C ATOM 864 C ILE A 60 23.723 131.917 60.440 1.00 7.20 C ATOM 865 O ILE A 60 22.824 131.187 60.846 1.00 10.75 O ATOM 866 CB ILE A 60 25.462 130.410 59.480 1.00 5.08 C ATOM 867 CG1 ILE A 60 26.706 129.587 59.829 1.00 14.65 C ATOM 868 CG2 ILE A 60 25.546 131.045 58.063 1.00 7.03 C ATOM 869 CD1 ILE A 60 27.985 130.374 59.874 1.00 17.68 C ATOM 870 HA ILE A 60 25.876 132.306 60.390 1.00 0.00 H ATOM 871 HB ILE A 60 24.620 129.718 59.463 1.00 0.00 H ATOM 872 HG12 ILE A 60 26.551 129.134 60.808 1.00 0.00 H ATOM 873 HG13 ILE A 60 26.816 128.802 59.081 1.00 0.00 H ATOM 874 HD11 ILE A 60 28.167 130.825 58.898 1.00 0.00 H ATOM 875 HD12 ILE A 60 27.902 131.157 60.628 1.00 0.00 H ATOM 876 HD13 ILE A 60 28.810 129.709 60.128 1.00 0.00 H ATOM 877 HG21 ILE A 60 24.601 131.536 57.830 1.00 0.00 H ATOM 878 HG22 ILE A 60 26.353 131.777 58.042 1.00 0.00 H ATOM 879 HG23 ILE A 60 25.742 130.265 57.328 1.00 0.00 H ATOM 880 H ILE A 60 24.842 130.134 62.214 1.00 0.00 H ATOM 881 N VAL A 61 23.503 133.103 59.889 1.00 7.80 N ATOM 882 CA VAL A 61 22.157 133.651 59.690 1.00 9.77 C ATOM 883 C VAL A 61 22.028 134.159 58.244 1.00 11.88 C ATOM 884 O VAL A 61 22.830 134.981 57.792 1.00 10.29 O ATOM 885 CB VAL A 61 21.884 134.812 60.679 1.00 11.79 C ATOM 886 CG1 VAL A 61 20.511 135.430 60.427 1.00 11.98 C ATOM 887 CG2 VAL A 61 21.994 134.325 62.138 1.00 11.25 C ATOM 888 HA VAL A 61 21.425 132.865 59.875 1.00 0.00 H ATOM 889 HB VAL A 61 22.641 135.579 60.513 1.00 0.00 H ATOM 890 HG11 VAL A 61 20.470 135.818 59.409 1.00 0.00 H ATOM 891 HG12 VAL A 61 19.742 134.669 60.558 1.00 0.00 H ATOM 892 HG13 VAL A 61 20.344 136.242 61.134 1.00 0.00 H ATOM 893 HG21 VAL A 61 21.263 133.535 62.312 1.00 0.00 H ATOM 894 HG22 VAL A 61 22.998 133.939 62.316 1.00 0.00 H ATOM 895 HG23 VAL A 61 21.798 135.158 62.813 1.00 0.00 H ATOM 896 H VAL A 61 24.320 133.669 59.585 1.00 0.00 H ATOM 897 N GLY A 62 21.035 133.672 57.509 1.00 9.86 N ATOM 898 CA GLY A 62 20.957 134.006 56.100 1.00 9.34 C ATOM 899 C GLY A 62 19.766 133.442 55.349 1.00 12.95 C ATOM 900 O GLY A 62 19.027 132.590 55.853 1.00 12.36 O ATOM 901 HA3 GLY A 62 21.862 133.635 55.618 1.00 0.00 H ATOM 902 HA2 GLY A 62 20.921 135.092 56.016 1.00 0.00 H ATOM 903 H GLY A 62 20.318 133.055 57.941 1.00 0.00 H ATOM 904 N LYS A 63 19.608 133.903 54.113 1.00 13.74 N ATOM 905 CA LYS A 63 18.519 133.430 53.260 1.00 9.96 C ATOM 906 C LYS A 63 18.972 132.398 52.226 1.00 13.43 C ATOM 907 O LYS A 63 18.154 131.641 51.707 1.00 14.68 O ATOM 908 CB LYS A 63 17.841 134.614 52.580 1.00 14.06 C ATOM 909 CG LYS A 63 17.146 135.541 53.583 1.00 8.97 C ATOM 910 CD LYS A 63 16.391 136.690 52.883 1.00 13.39 C ATOM 911 CE LYS A 63 15.620 137.547 53.886 1.00 19.10 C ATOM 912 NZ LYS A 63 14.636 138.465 53.216 1.00 22.31 N ATOM 913 HA LYS A 63 17.804 132.920 53.906 1.00 0.00 H ATOM 914 HB2 LYS A 63 18.594 135.186 52.038 1.00 0.00 H ATOM 915 HB3 LYS A 63 17.098 134.237 51.878 1.00 0.00 H ATOM 916 HG2 LYS A 63 16.435 134.957 54.168 1.00 0.00 H ATOM 917 HG3 LYS A 63 17.898 135.967 54.248 1.00 0.00 H ATOM 918 HD2 LYS A 63 17.110 137.319 52.359 1.00 0.00 H ATOM 919 HD3 LYS A 63 15.689 136.267 52.165 1.00 0.00 H ATOM 920 HE2 LYS A 63 16.331 138.148 54.453 1.00 0.00 H ATOM 921 HE3 LYS A 63 15.079 136.889 54.566 1.00 0.00 H ATOM 922 HZ1 LYS A 63 15.143 139.103 52.570 1.00 0.00 H ATOM 923 HZ2 LYS A 63 13.948 137.900 52.678 1.00 0.00 H ATOM 924 HZ3 LYS A 63 14.139 139.025 53.938 1.00 0.00 H ATOM 925 H LYS A 63 20.272 134.614 53.745 1.00 0.00 H ATOM 926 N ASN A 64 20.268 132.367 51.923 1.00 8.43 N ATOM 927 CA ASN A 64 20.783 131.407 50.959 1.00 8.33 C ATOM 928 C ASN A 64 22.180 130.899 51.298 1.00 11.75 C ATOM 929 O ASN A 64 23.171 131.611 51.101 1.00 11.32 O ATOM 930 CB ASN A 64 20.798 131.974 49.528 1.00 11.77 C ATOM 931 CG ASN A 64 21.425 131.004 48.542 1.00 17.30 C ATOM 932 OD1 ASN A 64 22.606 131.106 48.221 1.00 15.17 O ATOM 933 ND2 ASN A 64 20.649 130.018 48.101 1.00 18.61 N ATOM 934 HA ASN A 64 20.091 130.566 51.013 1.00 0.00 H ATOM 935 HB2 ASN A 64 19.773 132.178 49.219 1.00 0.00 H ATOM 936 HB3 ASN A 64 21.370 132.902 49.522 1.00 0.00 H ATOM 937 HD22 ASN A 64 19.653 129.968 48.397 1.00 0.00 H ATOM 938 HD21 ASN A 64 21.038 129.297 47.460 1.00 0.00 H ATOM 939 H ASN A 64 20.919 133.036 52.380 1.00 0.00 H ATOM 940 N PHE A 65 22.240 129.675 51.815 1.00 12.08 N ATOM 941 CA PHE A 65 23.513 129.011 52.066 1.00 11.38 C ATOM 942 C PHE A 65 23.324 127.513 52.273 1.00 11.44 C ATOM 943 O PHE A 65 22.238 127.027 52.620 1.00 13.26 O ATOM 944 CB PHE A 65 24.271 129.659 53.253 1.00 9.24 C ATOM 945 CG PHE A 65 23.573 129.517 54.588 1.00 11.22 C ATOM 946 CD1 PHE A 65 23.898 128.472 55.453 1.00 9.46 C ATOM 947 CD2 PHE A 65 22.609 130.436 54.990 1.00 9.29 C ATOM 948 CE1 PHE A 65 23.265 128.346 56.687 1.00 14.33 C ATOM 949 CE2 PHE A 65 21.971 130.312 56.221 1.00 9.05 C ATOM 950 CZ PHE A 65 22.303 129.267 57.071 1.00 18.09 C ATOM 951 HA PHE A 65 24.132 129.144 51.179 1.00 0.00 H ATOM 952 HB2 PHE A 65 25.252 129.190 53.329 1.00 0.00 H ATOM 953 HB3 PHE A 65 24.392 130.721 53.042 1.00 0.00 H ATOM 954 HD2 PHE A 65 22.350 131.265 54.332 1.00 0.00 H ATOM 955 HE2 PHE A 65 21.211 131.035 56.517 1.00 0.00 H ATOM 956 HZ PHE A 65 21.809 129.171 58.038 1.00 0.00 H ATOM 957 HE1 PHE A 65 23.526 127.522 57.351 1.00 0.00 H ATOM 958 HD1 PHE A 65 24.656 127.746 55.160 1.00 0.00 H ATOM 959 H PHE A 65 21.356 129.179 52.046 1.00 0.00 H ATOM 960 N GLY A 66 24.385 126.776 51.993 1.00 10.63 N ATOM 961 CA GLY A 66 24.453 125.373 52.320 1.00 9.08 C ATOM 962 C GLY A 66 25.657 125.272 53.224 1.00 10.60 C ATOM 963 O GLY A 66 26.561 126.114 53.157 1.00 11.11 O ATOM 964 HA3 GLY A 66 24.590 124.771 51.422 1.00 0.00 H ATOM 965 HA2 GLY A 66 23.550 125.050 52.838 1.00 0.00 H ATOM 966 H GLY A 66 25.197 127.222 51.521 1.00 0.00 H ATOM 967 N SER A 67 25.685 124.261 54.076 1.00 10.83 N ATOM 968 CA SER A 67 26.777 124.170 55.034 1.00 9.42 C ATOM 969 C SER A 67 27.062 122.732 55.392 1.00 10.74 C ATOM 970 O SER A 67 26.189 121.889 55.295 1.00 13.22 O ATOM 971 CB SER A 67 26.413 124.929 56.302 1.00 17.30 C ATOM 972 OG SER A 67 27.475 124.831 57.230 1.00 31.59 O ATOM 973 HA SER A 67 27.666 124.605 54.576 1.00 0.00 H ATOM 974 HB2 SER A 67 25.510 124.500 56.736 1.00 0.00 H ATOM 975 HB3 SER A 67 26.236 125.977 56.061 1.00 0.00 H ATOM 976 HG SER A 67 27.238 125.325 58.055 1.00 0.00 H ATOM 977 H SER A 67 24.936 123.540 54.062 1.00 0.00 H ATOM 978 N TYR A 68 28.293 122.459 55.800 1.00 10.21 N ATOM 979 CA TYR A 68 28.640 121.157 56.336 1.00 8.99 C ATOM 980 C TYR A 68 29.578 121.384 57.517 1.00 11.12 C ATOM 981 O TYR A 68 30.663 121.946 57.352 1.00 11.02 O ATOM 982 CB TYR A 68 29.301 120.279 55.264 1.00 9.96 C ATOM 983 CG TYR A 68 29.301 118.813 55.638 1.00 11.12 C ATOM 984 CD1 TYR A 68 28.195 118.008 55.385 1.00 18.42 C ATOM 985 CD2 TYR A 68 30.392 118.238 56.271 1.00 15.12 C ATOM 986 CE1 TYR A 68 28.187 116.673 55.748 1.00 16.19 C ATOM 987 CE2 TYR A 68 30.391 116.904 56.630 1.00 17.27 C ATOM 988 CZ TYR A 68 29.286 116.129 56.372 1.00 17.83 C ATOM 989 OH TYR A 68 29.298 114.797 56.728 1.00 21.17 O ATOM 990 HA TYR A 68 27.744 120.629 56.662 1.00 0.00 H ATOM 991 HB3 TYR A 68 30.332 120.606 55.130 1.00 0.00 H ATOM 992 HB2 TYR A 68 28.758 120.401 54.327 1.00 0.00 H ATOM 993 HD2 TYR A 68 31.267 118.850 56.490 1.00 0.00 H ATOM 994 HE2 TYR A 68 31.264 116.468 57.116 1.00 0.00 H ATOM 995 HE1 TYR A 68 27.314 116.055 55.541 1.00 0.00 H ATOM 996 HD1 TYR A 68 27.321 118.436 54.893 1.00 0.00 H ATOM 997 HH TYR A 68 28.435 114.382 56.477 1.00 0.00 H ATOM 998 H TYR A 68 29.026 123.194 55.734 1.00 0.00 H ATOM 999 N VAL A 69 29.138 120.990 58.712 1.00 10.36 N ATOM 1000 CA VAL A 69 29.886 121.289 59.927 1.00 8.08 C ATOM 1001 C VAL A 69 29.983 120.086 60.847 1.00 8.21 C ATOM 1002 O VAL A 69 29.298 119.081 60.646 1.00 10.59 O ATOM 1003 CB VAL A 69 29.242 122.460 60.714 1.00 11.02 C ATOM 1004 CG1 VAL A 69 29.074 123.697 59.809 1.00 13.95 C ATOM 1005 CG2 VAL A 69 27.897 122.040 61.262 1.00 10.39 C ATOM 1006 HA VAL A 69 30.888 121.570 59.602 1.00 0.00 H ATOM 1007 HB VAL A 69 29.902 122.721 61.542 1.00 0.00 H ATOM 1008 HG11 VAL A 69 30.051 124.013 59.443 1.00 0.00 H ATOM 1009 HG12 VAL A 69 28.432 123.444 58.965 1.00 0.00 H ATOM 1010 HG13 VAL A 69 28.621 124.506 60.382 1.00 0.00 H ATOM 1011 HG21 VAL A 69 27.242 121.759 60.437 1.00 0.00 H ATOM 1012 HG22 VAL A 69 28.028 121.189 61.930 1.00 0.00 H ATOM 1013 HG23 VAL A 69 27.455 122.870 61.812 1.00 0.00 H ATOM 1014 H VAL A 69 28.246 120.460 58.779 1.00 0.00 H ATOM 1015 N THR A 70 30.855 120.194 61.854 1.00 7.42 N ATOM 1016 CA THR A 70 30.995 119.173 62.878 1.00 9.52 C ATOM 1017 C THR A 70 30.657 119.820 64.227 1.00 15.43 C ATOM 1018 O THR A 70 31.174 120.882 64.567 1.00 17.23 O ATOM 1019 CB THR A 70 32.428 118.604 62.913 1.00 10.94 C ATOM 1020 OG1 THR A 70 32.726 117.956 61.666 1.00 12.52 O ATOM 1021 CG2 THR A 70 32.588 117.600 64.048 1.00 12.41 C ATOM 1022 HA THR A 70 30.322 118.343 62.661 1.00 0.00 H ATOM 1023 HB THR A 70 33.117 119.432 63.076 1.00 0.00 H ATOM 1024 HG1 THR A 70 32.084 117.217 61.518 1.00 0.00 H ATOM 1025 HG23 THR A 70 32.363 118.087 64.997 1.00 0.00 H ATOM 1026 HG21 THR A 70 31.902 116.767 63.894 1.00 0.00 H ATOM 1027 HG22 THR A 70 33.613 117.230 64.062 1.00 0.00 H ATOM 1028 H THR A 70 31.456 121.041 61.907 1.00 0.00 H ATOM 1029 N HIS A 71 29.786 119.191 65.000 1.00 13.60 N ATOM 1030 CA HIS A 71 29.348 119.804 66.250 1.00 8.53 C ATOM 1031 C HIS A 71 29.373 118.817 67.399 1.00 14.04 C ATOM 1032 O HIS A 71 29.331 117.598 67.193 1.00 13.80 O ATOM 1033 CB HIS A 71 27.937 120.381 66.094 1.00 11.15 C ATOM 1034 CG HIS A 71 26.873 119.341 65.900 1.00 12.05 C ATOM 1035 ND1 HIS A 71 26.337 118.616 66.945 1.00 15.55 N ATOM 1036 CD2 HIS A 71 26.243 118.907 64.782 1.00 14.96 C ATOM 1037 CE1 HIS A 71 25.426 117.779 66.479 1.00 15.54 C ATOM 1038 NE2 HIS A 71 25.351 117.934 65.169 1.00 15.07 N ATOM 1039 HA HIS A 71 30.047 120.608 66.481 1.00 0.00 H ATOM 1040 HB2 HIS A 71 27.699 120.953 66.991 1.00 0.00 H ATOM 1041 HB3 HIS A 71 27.931 121.044 65.229 1.00 0.00 H ATOM 1042 HD2 HIS A 71 26.411 119.262 63.765 1.00 0.00 H ATOM 1043 HE1 HIS A 71 24.837 117.080 67.074 1.00 0.00 H ATOM 1044 H HIS A 71 29.414 118.262 64.717 1.00 0.00 H ATOM 1045 N GLU A 72 29.444 119.361 68.611 1.00 10.62 N ATOM 1046 CA GLU A 72 29.341 118.579 69.829 1.00 14.78 C ATOM 1047 C GLU A 72 27.946 117.972 69.960 1.00 16.28 C ATOM 1048 O GLU A 72 26.941 118.600 69.623 1.00 17.23 O ATOM 1049 CB GLU A 72 29.653 119.473 71.033 1.00 17.11 C ATOM 1050 CG GLU A 72 29.648 118.788 72.373 1.00 41.08 C ATOM 1051 CD GLU A 72 30.129 119.721 73.472 1.00 55.08 C ATOM 1052 OE1 GLU A 72 31.061 120.509 73.201 1.00 56.67 O ATOM 1053 OE2 GLU A 72 29.573 119.679 74.592 1.00 57.53 O ATOM 1054 HA GLU A 72 30.061 117.762 69.792 1.00 0.00 H ATOM 1055 HB2 GLU A 72 30.642 119.906 70.882 1.00 0.00 H ATOM 1056 HB3 GLU A 72 28.909 120.269 71.061 1.00 0.00 H ATOM 1057 HG2 GLU A 72 28.633 118.463 72.602 1.00 0.00 H ATOM 1058 HG3 GLU A 72 30.306 117.920 72.331 1.00 0.00 H ATOM 1059 H GLU A 72 29.579 120.389 68.689 1.00 0.00 H ATOM 1060 N LYS A 73 27.906 116.741 70.450 1.00 15.81 N ATOM 1061 CA LYS A 73 26.666 116.018 70.657 1.00 15.20 C ATOM 1062 C LYS A 73 25.713 116.859 71.489 1.00 16.30 C ATOM 1063 O LYS A 73 26.102 117.408 72.522 1.00 15.57 O ATOM 1064 CB LYS A 73 26.983 114.704 71.375 1.00 17.31 C ATOM 1065 CG LYS A 73 25.784 113.887 71.792 1.00 25.83 C ATOM 1066 CD LYS A 73 26.254 112.545 72.357 1.00 29.30 C ATOM 1067 CE LYS A 73 25.102 111.744 72.951 1.00 29.33 C ATOM 1068 NZ LYS A 73 25.615 110.560 73.694 1.00 36.93 N ATOM 1069 HA LYS A 73 26.190 115.806 69.700 1.00 0.00 H ATOM 1070 HB2 LYS A 73 27.590 114.093 70.707 1.00 0.00 H ATOM 1071 HB3 LYS A 73 27.557 114.940 72.271 1.00 0.00 H ATOM 1072 HG2 LYS A 73 25.224 114.427 72.555 1.00 0.00 H ATOM 1073 HG3 LYS A 73 25.143 113.713 70.927 1.00 0.00 H ATOM 1074 HD2 LYS A 73 26.710 111.965 71.555 1.00 0.00 H ATOM 1075 HD3 LYS A 73 26.994 112.730 73.136 1.00 0.00 H ATOM 1076 HE2 LYS A 73 24.448 111.407 72.147 1.00 0.00 H ATOM 1077 HE3 LYS A 73 24.538 112.379 73.634 1.00 0.00 H ATOM 1078 HZ1 LYS A 73 26.151 109.950 73.044 1.00 0.00 H ATOM 1079 HZ2 LYS A 73 26.237 110.878 74.464 1.00 0.00 H ATOM 1080 HZ3 LYS A 73 24.814 110.028 74.091 1.00 0.00 H ATOM 1081 H LYS A 73 28.802 116.274 70.696 1.00 0.00 H ATOM 1082 N GLY A 74 24.479 116.995 71.020 1.00 17.10 N ATOM 1083 CA GLY A 74 23.460 117.700 71.780 1.00 16.62 C ATOM 1084 C GLY A 74 23.520 119.219 71.673 1.00 17.67 C ATOM 1085 O GLY A 74 22.806 119.927 72.388 1.00 14.10 O ATOM 1086 HA3 GLY A 74 23.571 117.429 72.830 1.00 0.00 H ATOM 1087 HA2 GLY A 74 22.483 117.373 71.423 1.00 0.00 H ATOM 1088 H GLY A 74 24.237 116.590 70.093 1.00 0.00 H ATOM 1089 N HIS A 75 24.356 119.726 70.775 1.00 12.72 N ATOM 1090 CA HIS A 75 24.514 121.176 70.610 1.00 11.35 C ATOM 1091 C HIS A 75 24.427 121.612 69.149 1.00 14.42 C ATOM 1092 O HIS A 75 25.366 122.185 68.595 1.00 11.04 O ATOM 1093 CB HIS A 75 25.838 121.632 71.216 1.00 10.97 C ATOM 1094 CG HIS A 75 25.923 121.403 72.694 1.00 18.43 C ATOM 1095 ND1 HIS A 75 26.238 120.177 73.244 1.00 23.41 N ATOM 1096 CD2 HIS A 75 25.718 122.242 73.739 1.00 18.09 C ATOM 1097 CE1 HIS A 75 26.232 120.272 74.563 1.00 22.78 C ATOM 1098 NE2 HIS A 75 25.924 121.516 74.890 1.00 18.43 N ATOM 1099 HA HIS A 75 23.686 121.651 71.136 1.00 0.00 H ATOM 1100 HB2 HIS A 75 26.647 121.083 70.733 1.00 0.00 H ATOM 1101 HB3 HIS A 75 25.958 122.698 71.023 1.00 0.00 H ATOM 1102 HD2 HIS A 75 25.442 123.295 73.679 1.00 0.00 H ATOM 1103 HE1 HIS A 75 26.445 119.463 75.262 1.00 0.00 H ATOM 1104 H HIS A 75 24.911 119.082 70.176 1.00 0.00 H ATOM 1105 N PHE A 76 23.280 121.352 68.539 1.00 12.97 N ATOM 1106 CA PHE A 76 23.053 121.702 67.148 1.00 7.48 C ATOM 1107 C PHE A 76 21.578 121.980 66.913 1.00 8.84 C ATOM 1108 O PHE A 76 20.716 121.176 67.288 1.00 14.16 O ATOM 1109 CB PHE A 76 23.500 120.569 66.220 1.00 10.55 C ATOM 1110 CG PHE A 76 22.954 120.692 64.822 1.00 15.54 C ATOM 1111 CD1 PHE A 76 23.494 121.602 63.932 1.00 19.28 C ATOM 1112 CD2 PHE A 76 21.887 119.907 64.406 1.00 24.62 C ATOM 1113 CE1 PHE A 76 22.984 121.730 62.643 1.00 28.50 C ATOM 1114 CE2 PHE A 76 21.372 120.028 63.119 1.00 26.59 C ATOM 1115 CZ PHE A 76 21.919 120.946 62.240 1.00 21.30 C ATOM 1116 HA PHE A 76 23.638 122.595 66.927 1.00 0.00 H ATOM 1117 HB2 PHE A 76 24.589 120.574 66.168 1.00 0.00 H ATOM 1118 HB3 PHE A 76 23.162 119.623 66.642 1.00 0.00 H ATOM 1119 HD2 PHE A 76 21.447 119.187 65.096 1.00 0.00 H ATOM 1120 HE2 PHE A 76 20.539 119.400 62.804 1.00 0.00 H ATOM 1121 HZ PHE A 76 21.512 121.051 61.234 1.00 0.00 H ATOM 1122 HE1 PHE A 76 23.424 122.448 61.951 1.00 0.00 H ATOM 1123 HD1 PHE A 76 24.330 122.228 64.244 1.00 0.00 H ATOM 1124 H PHE A 76 22.520 120.883 69.072 1.00 0.00 H ATOM 1125 N VAL A 77 21.293 123.118 66.289 1.00 9.77 N ATOM 1126 CA VAL A 77 19.936 123.416 65.844 1.00 8.74 C ATOM 1127 C VAL A 77 19.973 124.262 64.572 1.00 13.49 C ATOM 1128 O VAL A 77 20.820 125.147 64.417 1.00 13.52 O ATOM 1129 CB VAL A 77 19.075 124.060 66.977 1.00 13.93 C ATOM 1130 CG1 VAL A 77 19.559 125.479 67.303 1.00 12.23 C ATOM 1131 CG2 VAL A 77 17.596 124.048 66.616 1.00 15.61 C ATOM 1132 HA VAL A 77 19.439 122.477 65.600 1.00 0.00 H ATOM 1133 HB VAL A 77 19.200 123.456 67.875 1.00 0.00 H ATOM 1134 HG11 VAL A 77 20.597 125.441 67.633 1.00 0.00 H ATOM 1135 HG12 VAL A 77 19.483 126.101 66.411 1.00 0.00 H ATOM 1136 HG13 VAL A 77 18.940 125.900 68.095 1.00 0.00 H ATOM 1137 HG21 VAL A 77 17.443 124.614 65.697 1.00 0.00 H ATOM 1138 HG22 VAL A 77 17.267 123.019 66.470 1.00 0.00 H ATOM 1139 HG23 VAL A 77 17.022 124.503 67.424 1.00 0.00 H ATOM 1140 H VAL A 77 22.051 123.809 66.115 1.00 0.00 H ATOM 1141 N TYR A 78 19.061 123.952 63.656 1.00 11.66 N ATOM 1142 CA TYR A 78 18.899 124.670 62.397 1.00 8.38 C ATOM 1143 C TYR A 78 17.414 125.022 62.232 1.00 12.62 C ATOM 1144 O TYR A 78 16.558 124.142 62.242 1.00 11.73 O ATOM 1145 CB TYR A 78 19.403 123.802 61.236 1.00 13.25 C ATOM 1146 CG TYR A 78 19.062 124.333 59.869 1.00 14.50 C ATOM 1147 CD1 TYR A 78 19.489 125.588 59.474 1.00 14.41 C ATOM 1148 CD2 TYR A 78 18.321 123.569 58.965 1.00 12.90 C ATOM 1149 CE1 TYR A 78 19.181 126.087 58.227 1.00 14.65 C ATOM 1150 CE2 TYR A 78 17.995 124.063 57.709 1.00 12.42 C ATOM 1151 CZ TYR A 78 18.431 125.332 57.352 1.00 19.90 C ATOM 1152 OH TYR A 78 18.132 125.856 56.112 1.00 16.13 O ATOM 1153 HA TYR A 78 19.485 125.589 62.398 1.00 0.00 H ATOM 1154 HB3 TYR A 78 18.963 122.810 61.336 1.00 0.00 H ATOM 1155 HB2 TYR A 78 20.488 123.727 61.312 1.00 0.00 H ATOM 1156 HD2 TYR A 78 17.993 122.569 59.250 1.00 0.00 H ATOM 1157 HE2 TYR A 78 17.406 123.464 57.014 1.00 0.00 H ATOM 1158 HE1 TYR A 78 19.530 127.077 57.933 1.00 0.00 H ATOM 1159 HD1 TYR A 78 20.080 126.193 60.162 1.00 0.00 H ATOM 1160 HH TYR A 78 17.149 125.908 56.005 1.00 0.00 H ATOM 1161 H TYR A 78 18.426 123.151 63.848 1.00 0.00 H ATOM 1162 N PHE A 79 17.106 126.310 62.100 1.00 11.86 N ATOM 1163 CA PHE A 79 15.709 126.745 62.166 1.00 8.34 C ATOM 1164 C PHE A 79 15.478 128.029 61.388 1.00 12.47 C ATOM 1165 O PHE A 79 16.426 128.757 61.091 1.00 11.82 O ATOM 1166 CB PHE A 79 15.272 126.917 63.629 1.00 11.68 C ATOM 1167 CG PHE A 79 16.052 127.972 64.390 1.00 10.89 C ATOM 1168 CD1 PHE A 79 17.231 127.645 65.052 1.00 11.57 C ATOM 1169 CD2 PHE A 79 15.607 129.289 64.442 1.00 9.22 C ATOM 1170 CE1 PHE A 79 17.956 128.621 65.760 1.00 13.76 C ATOM 1171 CE2 PHE A 79 16.321 130.259 65.140 1.00 12.32 C ATOM 1172 CZ PHE A 79 17.489 129.925 65.810 1.00 13.86 C ATOM 1173 HA PHE A 79 15.101 125.969 61.702 1.00 0.00 H ATOM 1174 HB2 PHE A 79 14.218 127.195 63.641 1.00 0.00 H ATOM 1175 HB3 PHE A 79 15.400 125.962 64.139 1.00 0.00 H ATOM 1176 HD2 PHE A 79 14.686 129.565 63.929 1.00 0.00 H ATOM 1177 HE2 PHE A 79 15.960 131.287 65.160 1.00 0.00 H ATOM 1178 HZ PHE A 79 18.035 130.683 66.372 1.00 0.00 H ATOM 1179 HE1 PHE A 79 18.882 128.352 66.268 1.00 0.00 H ATOM 1180 HD1 PHE A 79 17.598 126.619 65.022 1.00 0.00 H ATOM 1181 H PHE A 79 17.860 127.010 61.949 1.00 0.00 H ATOM 1182 N TYR A 80 14.218 128.304 61.063 1.00 10.73 N ATOM 1183 CA TYR A 80 13.853 129.544 60.394 1.00 6.99 C ATOM 1184 C TYR A 80 13.053 130.417 61.334 1.00 7.81 C ATOM 1185 O TYR A 80 12.265 129.921 62.138 1.00 12.03 O ATOM 1186 CB TYR A 80 12.979 129.277 59.157 1.00 6.88 C ATOM 1187 CG TYR A 80 13.753 128.998 57.892 1.00 10.90 C ATOM 1188 CD1 TYR A 80 14.234 127.724 57.617 1.00 15.70 C ATOM 1189 CD2 TYR A 80 13.992 130.005 56.968 1.00 10.63 C ATOM 1190 CE1 TYR A 80 14.932 127.460 56.456 1.00 15.43 C ATOM 1191 CE2 TYR A 80 14.693 129.753 55.799 1.00 13.46 C ATOM 1192 CZ TYR A 80 15.165 128.474 55.557 1.00 16.17 C ATOM 1193 OH TYR A 80 15.864 128.211 54.405 1.00 18.54 O ATOM 1194 HA TYR A 80 14.778 130.034 60.091 1.00 0.00 H ATOM 1195 HB3 TYR A 80 12.353 130.153 58.987 1.00 0.00 H ATOM 1196 HB2 TYR A 80 12.346 128.414 59.367 1.00 0.00 H ATOM 1197 HD2 TYR A 80 13.622 131.011 57.165 1.00 0.00 H ATOM 1198 HE2 TYR A 80 14.870 130.552 55.079 1.00 0.00 H ATOM 1199 HE1 TYR A 80 15.297 126.453 56.253 1.00 0.00 H ATOM 1200 HD1 TYR A 80 14.057 126.919 58.330 1.00 0.00 H ATOM 1201 HH TYR A 80 15.293 128.410 53.621 1.00 0.00 H ATOM 1202 H TYR A 80 13.474 127.615 61.293 1.00 0.00 H ATOM 1203 N ILE A 81 13.266 131.717 61.237 1.00 9.29 N ATOM 1204 CA ILE A 81 12.309 132.674 61.769 1.00 9.76 C ATOM 1205 C ILE A 81 11.920 133.514 60.568 1.00 14.52 C ATOM 1206 O ILE A 81 12.754 134.234 60.020 1.00 10.76 O ATOM 1207 CB ILE A 81 12.922 133.541 62.865 1.00 12.99 C ATOM 1208 CG1 ILE A 81 13.388 132.657 64.022 1.00 10.48 C ATOM 1209 CG2 ILE A 81 11.904 134.579 63.367 1.00 16.84 C ATOM 1210 CD1 ILE A 81 14.065 133.421 65.150 1.00 12.91 C ATOM 1211 HA ILE A 81 11.456 132.181 62.236 1.00 0.00 H ATOM 1212 HB ILE A 81 13.779 134.074 62.453 1.00 0.00 H ATOM 1213 HG12 ILE A 81 12.519 132.140 64.430 1.00 0.00 H ATOM 1214 HG13 ILE A 81 14.094 131.925 63.631 1.00 0.00 H ATOM 1215 HD11 ILE A 81 14.945 133.935 64.762 1.00 0.00 H ATOM 1216 HD12 ILE A 81 13.368 134.151 65.562 1.00 0.00 H ATOM 1217 HD13 ILE A 81 14.366 132.723 65.931 1.00 0.00 H ATOM 1218 HG21 ILE A 81 11.600 135.219 62.538 1.00 0.00 H ATOM 1219 HG22 ILE A 81 11.031 134.065 63.769 1.00 0.00 H ATOM 1220 HG23 ILE A 81 12.361 135.186 64.148 1.00 0.00 H ATOM 1221 H ILE A 81 14.131 132.061 60.773 1.00 0.00 H ATOM 1222 N GLY A 82 10.674 133.393 60.129 1.00 13.00 N ATOM 1223 CA GLY A 82 10.289 133.958 58.844 1.00 10.54 C ATOM 1224 C GLY A 82 11.188 133.399 57.746 1.00 10.92 C ATOM 1225 O GLY A 82 11.466 132.197 57.726 1.00 11.98 O ATOM 1226 HA3 GLY A 82 10.392 135.043 58.879 1.00 0.00 H ATOM 1227 HA2 GLY A 82 9.252 133.699 58.630 1.00 0.00 H ATOM 1228 H GLY A 82 9.969 132.892 60.706 1.00 0.00 H ATOM 1229 N PRO A 83 11.655 134.264 56.836 1.00 10.76 N ATOM 1230 CA PRO A 83 12.481 133.797 55.714 1.00 14.59 C ATOM 1231 C PRO A 83 13.952 133.592 56.094 1.00 10.25 C ATOM 1232 O PRO A 83 14.741 133.186 55.249 1.00 11.31 O ATOM 1233 CB PRO A 83 12.379 134.948 54.714 1.00 10.94 C ATOM 1234 CG PRO A 83 12.185 136.185 55.597 1.00 11.47 C ATOM 1235 CD PRO A 83 11.432 135.726 56.812 1.00 13.95 C ATOM 1236 HA PRO A 83 12.140 132.830 55.346 1.00 0.00 H ATOM 1237 HD3 PRO A 83 11.827 136.194 57.714 1.00 0.00 H ATOM 1238 HD2 PRO A 83 10.370 135.955 56.721 1.00 0.00 H ATOM 1239 HG3 PRO A 83 11.613 136.944 55.063 1.00 0.00 H ATOM 1240 HG2 PRO A 83 13.152 136.597 55.886 1.00 0.00 H ATOM 1241 HB2 PRO A 83 13.291 135.031 54.123 1.00 0.00 H ATOM 1242 HB3 PRO A 83 11.528 134.809 54.047 1.00 0.00 H ATOM 1243 N LEU A 84 14.315 133.880 57.339 1.00 11.84 N ATOM 1244 CA LEU A 84 15.721 133.887 57.721 1.00 9.32 C ATOM 1245 C LEU A 84 16.112 132.571 58.383 1.00 9.19 C ATOM 1246 O LEU A 84 15.490 132.154 59.361 1.00 11.82 O ATOM 1247 CB LEU A 84 15.973 135.061 58.672 1.00 11.74 C ATOM 1248 CG LEU A 84 17.357 135.677 58.767 1.00 20.56 C ATOM 1249 CD1 LEU A 84 17.829 136.174 57.403 1.00 14.02 C ATOM 1250 CD2 LEU A 84 17.324 136.832 59.760 1.00 21.70 C ATOM 1251 HA LEU A 84 16.334 134.002 56.827 1.00 0.00 H ATOM 1252 HB2 LEU A 84 15.293 135.859 58.374 1.00 0.00 H ATOM 1253 HB3 LEU A 84 15.712 134.717 59.673 1.00 0.00 H ATOM 1254 HG LEU A 84 18.058 134.916 59.109 1.00 0.00 H ATOM 1255 HD21 LEU A 84 16.611 137.583 59.419 1.00 0.00 H ATOM 1256 HD22 LEU A 84 17.021 136.460 60.738 1.00 0.00 H ATOM 1257 HD23 LEU A 84 18.316 137.277 59.831 1.00 0.00 H ATOM 1258 HD11 LEU A 84 17.865 135.337 56.705 1.00 0.00 H ATOM 1259 HD12 LEU A 84 17.135 136.928 57.032 1.00 0.00 H ATOM 1260 HD13 LEU A 84 18.823 136.610 57.501 1.00 0.00 H ATOM 1261 H LEU A 84 13.588 134.103 58.048 1.00 0.00 H ATOM 1262 N ALA A 85 17.139 131.910 57.852 1.00 11.52 N ATOM 1263 CA ALA A 85 17.580 130.633 58.411 1.00 10.46 C ATOM 1264 C ALA A 85 18.694 130.853 59.438 1.00 15.04 C ATOM 1265 O ALA A 85 19.549 131.715 59.246 1.00 12.97 O ATOM 1266 CB ALA A 85 18.061 129.700 57.293 1.00 11.57 C ATOM 1267 HA ALA A 85 16.734 130.166 58.915 1.00 0.00 H ATOM 1268 HB1 ALA A 85 17.244 129.520 56.595 1.00 0.00 H ATOM 1269 HB2 ALA A 85 18.894 130.165 56.767 1.00 0.00 H ATOM 1270 HB3 ALA A 85 18.386 128.754 57.726 1.00 0.00 H ATOM 1271 H ALA A 85 17.634 132.308 57.028 1.00 0.00 H ATOM 1272 N PHE A 86 18.675 130.073 60.516 1.00 11.22 N ATOM 1273 CA PHE A 86 19.696 130.158 61.551 1.00 8.47 C ATOM 1274 C PHE A 86 20.360 128.803 61.718 1.00 11.17 C ATOM 1275 O PHE A 86 19.689 127.807 61.983 1.00 10.49 O ATOM 1276 CB PHE A 86 19.084 130.510 62.909 1.00 8.88 C ATOM 1277 CG PHE A 86 18.586 131.930 63.030 1.00 8.71 C ATOM 1278 CD1 PHE A 86 17.496 132.373 62.289 1.00 12.46 C ATOM 1279 CD2 PHE A 86 19.185 132.807 63.927 1.00 8.70 C ATOM 1280 CE1 PHE A 86 17.024 133.678 62.416 1.00 10.34 C ATOM 1281 CE2 PHE A 86 18.721 134.122 64.063 1.00 15.48 C ATOM 1282 CZ PHE A 86 17.638 134.554 63.316 1.00 12.27 C ATOM 1283 HA PHE A 86 20.404 130.928 61.245 1.00 0.00 H ATOM 1284 HB2 PHE A 86 18.243 129.839 63.087 1.00 0.00 H ATOM 1285 HB3 PHE A 86 19.843 130.350 63.675 1.00 0.00 H ATOM 1286 HD2 PHE A 86 20.026 132.468 64.532 1.00 0.00 H ATOM 1287 HE2 PHE A 86 19.212 134.805 64.756 1.00 0.00 H ATOM 1288 HZ PHE A 86 17.266 135.572 63.429 1.00 0.00 H ATOM 1289 HE1 PHE A 86 16.179 134.015 61.816 1.00 0.00 H ATOM 1290 HD1 PHE A 86 17.003 131.689 61.598 1.00 0.00 H ATOM 1291 H PHE A 86 17.906 129.381 60.623 1.00 0.00 H ATOM 1292 N LEU A 87 21.682 128.779 61.619 1.00 10.56 N ATOM 1293 CA LEU A 87 22.444 127.589 61.946 1.00 11.00 C ATOM 1294 C LEU A 87 23.247 127.892 63.200 1.00 11.06 C ATOM 1295 O LEU A 87 24.084 128.786 63.197 1.00 10.03 O ATOM 1296 CB LEU A 87 23.357 127.205 60.772 1.00 8.79 C ATOM 1297 CG LEU A 87 24.451 126.167 61.050 1.00 12.66 C ATOM 1298 CD1 LEU A 87 23.832 124.864 61.490 1.00 12.66 C ATOM 1299 CD2 LEU A 87 25.357 125.949 59.820 1.00 14.65 C ATOM 1300 HA LEU A 87 21.785 126.740 62.127 1.00 0.00 H ATOM 1301 HB2 LEU A 87 22.723 126.810 59.978 1.00 0.00 H ATOM 1302 HB3 LEU A 87 23.847 128.115 60.425 1.00 0.00 H ATOM 1303 HG LEU A 87 25.079 126.551 61.854 1.00 0.00 H ATOM 1304 HD21 LEU A 87 24.753 125.596 58.984 1.00 0.00 H ATOM 1305 HD22 LEU A 87 25.837 126.890 59.552 1.00 0.00 H ATOM 1306 HD23 LEU A 87 26.119 125.207 60.058 1.00 0.00 H ATOM 1307 HD11 LEU A 87 23.254 125.027 62.400 1.00 0.00 H ATOM 1308 HD12 LEU A 87 23.176 124.491 60.703 1.00 0.00 H ATOM 1309 HD13 LEU A 87 24.620 124.136 61.684 1.00 0.00 H ATOM 1310 H LEU A 87 22.184 129.632 61.300 1.00 0.00 H ATOM 1311 N VAL A 88 22.965 127.176 64.285 1.00 13.65 N ATOM 1312 CA VAL A 88 23.611 127.441 65.568 1.00 11.13 C ATOM 1313 C VAL A 88 24.219 126.145 66.093 1.00 12.49 C ATOM 1314 O VAL A 88 23.508 125.152 66.251 1.00 14.40 O ATOM 1315 CB VAL A 88 22.576 127.969 66.604 1.00 12.89 C ATOM 1316 CG1 VAL A 88 23.225 128.192 67.967 1.00 12.37 C ATOM 1317 CG2 VAL A 88 21.898 129.250 66.102 1.00 7.88 C ATOM 1318 HA VAL A 88 24.384 128.196 65.425 1.00 0.00 H ATOM 1319 HB VAL A 88 21.806 127.206 66.722 1.00 0.00 H ATOM 1320 HG11 VAL A 88 23.634 127.250 68.332 1.00 0.00 H ATOM 1321 HG12 VAL A 88 24.027 128.924 67.871 1.00 0.00 H ATOM 1322 HG13 VAL A 88 22.477 128.561 68.668 1.00 0.00 H ATOM 1323 HG21 VAL A 88 22.653 130.019 65.939 1.00 0.00 H ATOM 1324 HG22 VAL A 88 21.380 129.043 65.165 1.00 0.00 H ATOM 1325 HG23 VAL A 88 21.180 129.595 66.846 1.00 0.00 H ATOM 1326 H VAL A 88 22.267 126.408 64.218 1.00 0.00 H ATOM 1327 N PHE A 89 25.525 126.126 66.354 1.00 9.41 N ATOM 1328 CA PHE A 89 26.126 124.900 66.882 1.00 8.82 C ATOM 1329 C PHE A 89 27.354 125.176 67.733 1.00 9.71 C ATOM 1330 O PHE A 89 27.965 126.235 67.613 1.00 10.09 O ATOM 1331 CB PHE A 89 26.459 123.901 65.753 1.00 8.06 C ATOM 1332 CG PHE A 89 27.565 124.349 64.823 1.00 10.34 C ATOM 1333 CD1 PHE A 89 28.849 123.850 64.958 1.00 8.85 C ATOM 1334 CD2 PHE A 89 27.313 125.258 63.807 1.00 10.42 C ATOM 1335 CE1 PHE A 89 29.862 124.255 64.094 1.00 13.81 C ATOM 1336 CE2 PHE A 89 28.316 125.659 62.947 1.00 15.01 C ATOM 1337 CZ PHE A 89 29.595 125.159 63.092 1.00 14.59 C ATOM 1338 HA PHE A 89 25.377 124.446 67.531 1.00 0.00 H ATOM 1339 HB2 PHE A 89 26.760 122.958 66.210 1.00 0.00 H ATOM 1340 HB3 PHE A 89 25.558 123.745 65.160 1.00 0.00 H ATOM 1341 HD2 PHE A 89 26.308 125.662 63.685 1.00 0.00 H ATOM 1342 HE2 PHE A 89 28.098 126.372 62.152 1.00 0.00 H ATOM 1343 HZ PHE A 89 30.388 125.479 62.416 1.00 0.00 H ATOM 1344 HE1 PHE A 89 30.869 123.855 64.211 1.00 0.00 H ATOM 1345 HD1 PHE A 89 29.069 123.133 65.749 1.00 0.00 H ATOM 1346 H PHE A 89 26.109 126.970 66.185 1.00 0.00 H ATOM 1347 N LYS A 90 27.706 124.216 68.587 1.00 10.74 N ATOM 1348 CA LYS A 90 28.848 124.355 69.485 1.00 10.81 C ATOM 1349 C LYS A 90 29.949 123.333 69.159 1.00 15.21 C ATOM 1350 O LYS A 90 29.666 122.174 68.830 1.00 13.57 O ATOM 1351 CB LYS A 90 28.372 124.196 70.933 1.00 12.57 C ATOM 1352 CG LYS A 90 29.398 124.481 72.054 1.00 13.59 C ATOM 1353 CD LYS A 90 28.819 123.997 73.401 1.00 18.53 C ATOM 1354 CE LYS A 90 29.834 123.999 74.537 1.00 27.16 C ATOM 1355 NZ LYS A 90 31.052 123.201 74.187 1.00 29.00 N ATOM 1356 HA LYS A 90 29.281 125.346 69.350 1.00 0.00 H ATOM 1357 HB2 LYS A 90 27.532 124.875 71.078 1.00 0.00 H ATOM 1358 HB3 LYS A 90 28.031 123.168 71.055 1.00 0.00 H ATOM 1359 HG2 LYS A 90 30.327 123.950 71.843 1.00 0.00 H ATOM 1360 HG3 LYS A 90 29.596 125.552 72.105 1.00 0.00 H ATOM 1361 HD2 LYS A 90 27.992 124.652 73.676 1.00 0.00 H ATOM 1362 HD3 LYS A 90 28.448 122.980 73.272 1.00 0.00 H ATOM 1363 HE2 LYS A 90 29.372 123.569 75.426 1.00 0.00 H ATOM 1364 HE3 LYS A 90 30.131 125.027 74.745 1.00 0.00 H ATOM 1365 HZ1 LYS A 90 30.776 122.217 73.993 1.00 0.00 H ATOM 1366 HZ2 LYS A 90 31.502 123.609 73.343 1.00 0.00 H ATOM 1367 HZ3 LYS A 90 31.721 123.224 74.983 1.00 0.00 H ATOM 1368 H LYS A 90 27.149 123.338 68.615 1.00 0.00 H ATOM 1369 N THR A 91 31.204 123.771 69.249 1.00 13.27 N ATOM 1370 CA THR A 91 32.346 122.857 69.216 1.00 16.05 C ATOM 1371 C THR A 91 33.075 122.898 70.571 1.00 23.82 C ATOM 1372 O THR A 91 32.774 123.742 71.422 1.00 15.83 O ATOM 1373 CB THR A 91 33.331 123.215 68.076 1.00 14.67 C ATOM 1374 OG1 THR A 91 33.851 124.538 68.290 1.00 12.60 O ATOM 1375 CG2 THR A 91 32.623 123.168 66.725 1.00 13.58 C ATOM 1376 HA THR A 91 31.971 121.851 69.026 1.00 0.00 H ATOM 1377 HB THR A 91 34.145 122.490 68.076 1.00 0.00 H ATOM 1378 HG1 THR A 91 34.325 124.568 69.158 1.00 0.00 H ATOM 1379 HG23 THR A 91 32.227 122.166 66.558 1.00 0.00 H ATOM 1380 HG21 THR A 91 31.805 123.889 66.719 1.00 0.00 H ATOM 1381 HG22 THR A 91 33.333 123.415 65.936 1.00 0.00 H ATOM 1382 H THR A 91 31.377 124.792 69.345 1.00 0.00 H ATOM 1383 N ALA A 92 34.025 121.988 70.769 1.00 27.49 N ATOM 1384 CA ALA A 92 34.755 121.895 72.041 1.00 33.73 C ATOM 1385 C ALA A 92 35.288 123.240 72.546 1.00 46.07 C ATOM 1386 O ALA A 92 35.652 124.131 71.772 1.00 39.27 O ATOM 1387 CB ALA A 92 35.892 120.883 71.931 1.00 34.64 C ATOM 1388 HA ALA A 92 34.030 121.557 72.781 1.00 0.00 H ATOM 1389 OXT ALA A 92 35.354 123.473 73.755 1.00 57.75 O ATOM 1390 HB1 ALA A 92 35.482 119.904 71.684 1.00 0.00 H ATOM 1391 HB2 ALA A 92 36.582 121.197 71.148 1.00 0.00 H ATOM 1392 HB3 ALA A 92 36.421 120.828 72.882 1.00 0.00 H ATOM 1393 H ALA A 92 34.257 121.324 70.003 1.00 0.00 H TER 1394 ALA A 92 HETATM 1395 O HOH 1 14.018 132.138 52.968 1.00 10.87 O HETATM 1396 O HOH 2 16.039 130.304 52.583 1.00 12.23 O HETATM 1397 O HOH 3 10.689 130.324 55.935 1.00 14.93 O HETATM 1398 O HOH 4 14.120 134.226 51.300 1.00 16.31 O HETATM 1399 O HOH 5 8.859 131.555 61.465 1.00 19.28 O HETATM 1400 O HOH 6 12.900 136.953 51.511 1.00 19.54 O HETATM 1401 O HOH 7 36.204 124.314 69.400 1.00 24.49 O HETATM 1402 O HOH 8 32.409 135.092 72.772 1.00 28.04 O HETATM 1403 O HOH 9 5.712 129.405 62.505 1.00 22.99 O HETATM 1404 O HOH 10 16.999 116.544 63.004 1.00 23.67 O HETATM 1405 O HOH 11 30.755 136.204 74.832 1.00 25.19 O HETATM 1406 O HOH 12 34.577 131.174 71.994 1.00 24.95 O HETATM 1407 O HOH 13 22.226 141.510 56.262 1.00 19.84 O HETATM 1408 O HOH 14 14.130 137.196 49.114 1.00 32.09 O HETATM 1409 O HOH 15 12.770 137.359 59.983 1.00 29.62 O HETATM 1410 O HOH 16 19.365 138.429 71.692 1.00 22.98 O HETATM 1411 O HOH 17 22.449 145.985 62.432 1.00 40.28 O HETATM 1412 O HOH 18 9.257 123.727 64.417 1.00 27.93 O HETATM 1413 O HOH 19 6.117 138.862 65.097 1.00 35.72 O HETATM 1414 O HOH 20 20.791 148.005 65.453 1.00 28.27 O HETATM 1415 O HOH 21 20.745 127.635 46.461 1.00 33.16 O HETATM 1416 O HOH 22 33.881 133.385 75.239 1.00 38.73 O HETATM 1417 O HOH 23 10.349 130.246 70.298 1.00 38.76 O HETATM 1418 O HOH 24 15.930 142.510 61.873 1.00 37.64 O HETATM 1419 O HOH 25 13.110 119.108 58.134 1.00 40.87 O HETATM 1420 O HOH 26 24.205 135.086 77.937 1.00 28.23 O HETATM 1421 O HOH 27 15.177 134.603 49.002 1.00 29.24 O HETATM 1422 O HOH 28 37.501 127.941 70.885 1.00 35.83 O HETATM 1423 O HOH 29 12.976 139.608 55.579 1.00 39.63 O HETATM 1424 O HOH 30 36.830 130.170 72.425 1.00 35.18 O HETATM 1425 O HOH 31 15.270 117.575 76.290 1.00 42.67 O HETATM 1426 O HOH 32 32.148 142.069 67.454 1.00 33.87 O HETATM 1427 O HOH 33 23.177 148.940 65.747 1.00 36.98 O HETATM 1428 O HOH 34 22.134 119.602 75.217 1.00 38.53 O HETATM 1429 O HOH 35 19.305 121.840 78.087 1.00 39.55 O HETATM 1430 O HOH 36 30.566 132.706 81.343 1.00 41.58 O HETATM 1431 O HOH 37 29.103 141.214 64.615 1.00 27.43 O HETATM 1432 O HOH 38 16.727 140.261 52.287 1.00 48.36 O HETATM 1433 O HOH 39 20.752 116.484 63.475 1.00 33.16 O HETATM 1434 O HOH 40 16.035 138.661 49.997 1.00 31.03 O HETATM 1435 O HOH 41 20.338 143.718 56.192 1.00 34.78 O HETATM 1436 O HOH 42 15.680 145.453 63.746 1.00 38.75 O HETATM 1437 O HOH 43 17.348 141.321 58.602 1.00 36.69 O HETATM 1438 O HOH 44 14.718 131.414 77.177 1.00 43.06 O HETATM 1439 O HOH 45 15.680 116.818 60.110 1.00 37.95 O HETATM 1440 O HOH 46 20.067 150.565 66.178 1.00 48.15 O HETATM 1441 O HOH 47 16.675 136.302 75.804 1.00 40.73 O HETATM 1442 O HOH 48 18.561 137.960 74.472 1.00 32.22 O HETATM 1443 O HOH 49 5.185 126.900 63.100 1.00 43.91 O HETATM 1444 O HOH 50 13.130 145.312 63.899 1.00 49.22 O HETATM 1445 O HOH 51 4.695 136.655 64.763 1.00 26.86 O HETATM 1446 O HOH 52 17.520 140.192 56.415 1.00 40.12 O HETATM 1447 O HOH 53 7.434 135.248 67.792 1.00 37.12 O HETATM 1448 O HOH 54 10.062 124.378 68.635 1.00 43.88 O HETATM 1449 O HOH 55 8.955 126.065 67.445 1.00 40.15 O HETATM 1450 O HOH 56 10.306 137.259 65.594 1.00 35.21 O HETATM 1451 O HOH 57 9.012 137.481 63.396 1.00 27.81 O HETATM 1452 O HOH 58 10.867 138.636 60.550 1.00 46.25 O HETATM 1453 O HOH 59 32.280 124.720 77.085 1.00 43.85 O HETATM 1454 O HOH 60 10.562 121.720 67.928 1.00 45.63 O HETATM 1455 O HOH 61 23.578 116.163 63.728 1.00 24.71 O HETATM 1456 O HOH 62 27.765 141.449 67.282 1.00 30.65 O HETATM 1457 O HOH 63 13.229 129.575 78.045 1.00 43.31 O HETATM 1458 O HOH 64 12.107 122.093 53.864 1.00 37.26 O HETATM 1459 O HOH 65 9.069 122.471 58.543 1.00 29.54 O HETATM 1460 O HOH 66 13.807 138.863 58.261 1.00 35.36 O HETATM 1461 O HOH 67 21.703 136.115 77.082 1.00 38.48 O HETATM 1462 O HOH 68 26.282 121.837 77.842 1.00 45.61 O HETATM 1463 O HOH 69 12.497 116.076 75.256 1.00 52.68 O HETATM 1464 O HOH 70 36.887 126.773 76.902 1.00 41.86 O HETATM 1465 O HOH 71 21.164 144.919 54.227 1.00 43.44 O HETATM 1466 O HOH 72 35.055 125.419 77.285 1.00 60.36 O HETATM 1467 O HOH 73 17.133 117.086 68.998 1.00 21.22 O HETATM 1468 O HOH 74 22.361 113.857 71.059 1.00 42.43 O HETATM 1469 O HOH 75 11.586 127.487 55.699 1.00 19.01 O HETATM 1470 O HOH 76 11.719 130.553 53.165 1.00 18.42 O HETATM 1471 O HOH 77 31.792 113.415 63.805 1.00 22.72 O HETATM 1472 O HOH 78 27.449 112.325 61.963 1.00 20.43 O HETATM 1473 O HOH 79 18.806 120.888 54.957 1.00 18.55 O HETATM 1474 O HOH 80 16.373 124.328 54.777 1.00 21.11 O HETATM 1475 O HOH 81 24.145 115.558 57.052 1.00 25.30 O HETATM 1476 O HOH 82 20.306 118.474 54.560 1.00 33.73 O HETATM 1477 O HOH 83 34.219 114.481 61.056 1.00 35.29 O HETATM 1478 O HOH 84 17.689 120.188 56.992 1.00 39.14 O HETATM 1479 O HOH 85 19.040 115.941 61.966 1.00 41.56 O HETATM 1480 O HOH 86 34.533 115.976 71.133 1.00 41.50 O HETATM 1481 O HOH 87 16.704 121.214 52.502 1.00 43.83 O HETATM 1482 O HOH 88 35.107 114.948 65.241 1.00 36.63 O HETATM 1483 O HOH 89 15.927 122.155 55.384 1.00 43.37 O HETATM 1484 O HOH 90 18.009 126.426 47.425 1.00 39.43 O HETATM 1485 O HOH 91 32.673 118.022 71.262 1.00 43.43 O HETATM 1486 O HOH 92 30.141 114.972 74.246 1.00 42.14 O HETATM 1487 O HOH 93 13.512 124.445 54.101 1.00 37.47 O HETATM 1488 O HOH 94 17.862 120.508 49.736 1.00 45.53 O HETATM 1489 O HOH 95 32.666 114.119 57.262 1.00 35.59 O HETATM 1490 O HOH 96 22.088 113.410 60.799 1.00 47.30 O HETATM 1491 O HOH 97 24.258 114.555 62.009 1.00 34.37 O HETATM 1492 O HOH 98 15.130 130.555 45.291 1.00 48.21 O HETATM 1493 N ILE A 99 32.316 114.173 72.048 1.00 0.24 N HETATM 1494 CA ILE A 99 31.684 113.341 71.030 1.00 0.07 C HETATM 1495 C ILE A 99 31.026 114.240 69.996 1.00 0.23 C HETATM 1496 O ILE A 99 30.258 115.131 70.354 1.00 -0.39 O HETATM 1497 N ILE A 99 31.332 114.017 68.718 1.00 -0.26 N HETATM 1498 CA ILE A 99 30.803 114.875 67.656 1.00 0.16 C HETATM 1499 C ILE A 99 29.907 114.148 66.656 1.00 0.21 C HETATM 1500 O ILE A 99 29.869 112.917 66.607 1.00 -0.39 O HETATM 1501 N ILE A 99 29.184 114.929 65.864 1.00 -0.26 N HETATM 1502 CA ILE A 99 28.480 114.419 64.689 1.00 0.14 C HETATM 1503 C ILE A 99 28.721 115.417 63.588 1.00 0.21 C HETATM 1504 O ILE A 99 28.991 116.581 63.859 1.00 -0.39 O HETATM 1505 N ILE A 99 28.606 114.969 62.345 1.00 -0.26 N HETATM 1506 CA ILE A 99 28.689 115.881 61.207 1.00 0.14 C HETATM 1507 C ILE A 99 27.292 116.103 60.688 1.00 0.21 C HETATM 1508 O ILE A 99 26.452 115.201 60.770 1.00 -0.39 O HETATM 1509 N ILE A 99 27.047 117.287 60.131 1.00 -0.26 N HETATM 1510 CA ILE A 99 25.728 117.623 59.610 1.00 0.13 C HETATM 1511 C ILE A 99 25.812 118.597 58.433 1.00 0.20 C HETATM 1512 O ILE A 99 26.548 119.589 58.481 1.00 -0.39 O HETATM 1513 N ILE A 99 25.055 118.312 57.380 1.00 -0.27 N HETATM 1514 CA ILE A 99 24.969 119.214 56.243 1.00 0.12 C HETATM 1515 C ILE A 99 23.571 119.813 56.200 1.00 0.20 C HETATM 1516 O ILE A 99 22.595 119.109 56.451 1.00 -0.39 O HETATM 1517 N ILE A 99 23.460 121.106 55.917 1.00 -0.26 N HETATM 1518 CA ILE A 99 22.131 121.708 55.763 1.00 0.13 C HETATM 1519 C ILE A 99 22.091 122.570 54.519 1.00 0.20 C HETATM 1520 O ILE A 99 23.132 123.013 54.027 1.00 -0.39 O HETATM 1521 N ILE A 99 20.881 122.815 54.027 1.00 -0.26 N HETATM 1522 CA ILE A 99 20.680 123.613 52.827 1.00 0.13 C HETATM 1523 C ILE A 99 19.421 124.467 52.970 1.00 0.20 C HETATM 1524 O ILE A 99 18.338 123.933 53.202 1.00 -0.39 O HETATM 1525 N ILE A 99 19.554 125.784 52.834 1.00 -0.26 N HETATM 1526 CA ILE A 99 18.385 126.675 52.886 1.00 0.16 C HETATM 1527 C ILE A 99 17.398 126.358 51.749 1.00 0.21 C HETATM 1528 O ILE A 99 17.800 125.839 50.700 1.00 -0.39 O HETATM 1529 N ILE A 99 16.115 126.671 51.935 1.00 -0.26 N HETATM 1530 CA ILE A 99 15.152 126.362 50.871 1.00 0.14 C HETATM 1531 C ILE A 99 15.116 127.401 49.754 1.00 0.21 C HETATM 1532 O ILE A 99 14.686 127.095 48.652 1.00 -0.39 O HETATM 1533 N ILE A 99 15.573 128.616 50.043 1.00 -0.27 N HETATM 1534 CA ILE A 99 15.679 129.659 49.031 1.00 0.10 C HETATM 1535 C ILE A 99 17.161 129.920 48.745 1.00 0.06 C HETATM 1536 O ILE A 99 18.033 129.302 49.363 1.00 -0.57 O HETATM 1537 OXT ILE A 99 17.525 130.756 47.915 1.00 -0.57 O HETATM 1538 CB ILE A 99 15.002 130.966 49.494 1.00 -0.00 C HETATM 1539 CG ILE A 99 13.551 130.803 49.941 1.00 0.04 C HETATM 1540 CD ILE A 99 12.672 130.235 48.843 1.00 0.17 C HETATM 1541 OE1 ILE A 99 12.698 130.705 47.699 1.00 -0.40 O HETATM 1542 NE2 ILE A 99 11.902 129.208 49.177 1.00 -0.30 N HETATM 1543 H86 ILE A 99 11.301 128.791 48.495 1.00 0.18 H HETATM 1544 H87 ILE A 99 11.923 128.850 50.111 1.00 0.18 H HETATM 1545 H84 ILE A 99 13.158 131.788 50.235 1.00 0.05 H HETATM 1546 H85 ILE A 99 13.521 130.123 50.805 1.00 0.05 H HETATM 1547 H82 ILE A 99 15.026 131.680 48.658 1.00 0.03 H HETATM 1548 H83 ILE A 99 15.578 131.371 50.339 1.00 0.03 H HETATM 1549 H81 ILE A 99 15.187 129.313 48.110 1.00 0.07 H HETATM 1550 H80 ILE A 99 15.852 128.820 50.981 1.00 0.19 H HETATM 1551 CB ILE A 99 13.737 126.036 51.395 1.00 0.04 C HETATM 1552 CG ILE A 99 13.162 127.116 52.291 1.00 0.04 C HETATM 1553 OD1 ILE A 99 12.839 128.208 51.780 1.00 -0.57 O HETATM 1554 OD2 ILE A 99 12.982 126.855 53.504 1.00 -0.57 O HETATM 1555 H78 ILE A 99 13.785 125.098 51.967 1.00 0.05 H HETATM 1556 H79 ILE A 99 13.067 125.906 50.532 1.00 0.05 H HETATM 1557 H77 ILE A 99 15.519 125.436 50.405 1.00 0.08 H HETATM 1558 H76 ILE A 99 15.815 127.108 52.783 1.00 0.19 H HETATM 1559 CB ILE A 99 18.802 128.159 52.777 1.00 0.09 C HETATM 1560 OG1 ILE A 99 19.543 128.361 51.570 1.00 -0.39 O HETATM 1561 H72 ILE A 99 19.002 128.129 50.825 1.00 0.21 H HETATM 1562 CG2 ILE A 99 19.647 128.572 53.996 1.00 -0.03 C HETATM 1563 H73 ILE A 99 19.934 129.630 53.901 1.00 0.03 H HETATM 1564 H74 ILE A 99 20.552 127.949 54.043 1.00 0.03 H HETATM 1565 H75 ILE A 99 19.058 128.433 54.915 1.00 0.03 H HETATM 1566 H71 ILE A 99 17.896 128.782 52.748 1.00 0.06 H HETATM 1567 H70 ILE A 99 17.877 126.521 53.849 1.00 0.08 H HETATM 1568 H69 ILE A 99 20.464 126.174 52.694 1.00 0.19 H HETATM 1569 CB ILE A 99 20.511 122.678 51.618 1.00 0.00 C HETATM 1570 CG ILE A 99 20.184 123.418 50.330 1.00 0.04 C HETATM 1571 CD ILE A 99 21.306 124.347 49.908 1.00 0.17 C HETATM 1572 OE1 ILE A 99 22.436 123.909 49.693 1.00 -0.40 O HETATM 1573 NE2 ILE A 99 21.002 125.636 49.787 1.00 -0.30 N HETATM 1574 H67 ILE A 99 21.705 126.292 49.511 1.00 0.18 H HETATM 1575 H68 ILE A 99 20.070 125.950 49.972 1.00 0.18 H HETATM 1576 H65 ILE A 99 19.270 124.011 50.483 1.00 0.05 H HETATM 1577 H66 ILE A 99 20.013 122.682 49.531 1.00 0.05 H HETATM 1578 H63 ILE A 99 19.695 121.973 51.833 1.00 0.03 H HETATM 1579 H64 ILE A 99 21.448 122.121 51.473 1.00 0.03 H HETATM 1580 H62 ILE A 99 21.551 124.266 52.671 1.00 0.08 H HETATM 1581 H61 ILE A 99 20.082 122.439 54.497 1.00 0.19 H HETATM 1582 CB ILE A 99 21.673 122.533 56.998 1.00 -0.00 C HETATM 1583 CG1 ILE A 99 22.599 123.730 57.239 1.00 -0.05 C HETATM 1584 CD1 ILE A 99 22.139 125.016 56.550 1.00 -0.06 C HETATM 1585 H58 ILE A 99 22.852 125.825 56.770 1.00 0.02 H HETATM 1586 H59 ILE A 99 21.142 125.295 56.922 1.00 0.02 H HETATM 1587 H60 ILE A 99 22.093 124.853 55.463 1.00 0.02 H HETATM 1588 H53 ILE A 99 23.601 123.475 56.863 1.00 0.03 H HETATM 1589 H54 ILE A 99 22.650 123.916 58.322 1.00 0.03 H HETATM 1590 CG2 ILE A 99 21.525 121.640 58.247 1.00 -0.06 C HETATM 1591 H55 ILE A 99 20.853 120.800 58.019 1.00 0.02 H HETATM 1592 H56 ILE A 99 21.105 122.232 59.073 1.00 0.02 H HETATM 1593 H57 ILE A 99 22.512 121.251 58.539 1.00 0.02 H HETATM 1594 H52 ILE A 99 20.675 122.937 56.770 1.00 0.03 H HETATM 1595 H51 ILE A 99 21.412 120.886 55.632 1.00 0.08 H HETATM 1596 H50 ILE A 99 24.280 121.668 55.809 1.00 0.19 H HETATM 1597 H48 ILE A 99 25.162 118.658 55.314 1.00 0.08 H HETATM 1598 H49 ILE A 99 25.713 120.017 56.351 1.00 0.08 H HETATM 1599 H47 ILE A 99 24.533 117.459 57.369 1.00 0.19 H HETATM 1600 CB ILE A 99 24.872 118.238 60.719 1.00 -0.01 C HETATM 1601 CG ILE A 99 23.462 118.555 60.278 1.00 -0.04 C HETATM 1602 CD ILE A 99 22.692 117.297 59.882 1.00 -0.01 C HETATM 1603 CE ILE A 99 21.258 117.636 59.444 1.00 -0.04 C HETATM 1604 NZ ILE A 99 20.401 116.418 59.346 1.00 0.22 N HETATM 1605 H44 ILE A 99 19.472 116.683 59.057 1.00 0.20 H HETATM 1606 H45 ILE A 99 20.357 115.965 60.245 1.00 0.20 H HETATM 1607 H46 ILE A 99 20.795 115.783 58.669 1.00 0.20 H HETATM 1608 H42 ILE A 99 21.294 118.125 58.459 1.00 0.08 H HETATM 1609 H43 ILE A 99 20.815 118.324 60.179 1.00 0.08 H HETATM 1610 H40 ILE A 99 22.652 116.615 60.744 1.00 0.03 H HETATM 1611 H41 ILE A 99 23.214 116.804 59.049 1.00 0.03 H HETATM 1612 H38 ILE A 99 23.504 119.233 59.413 1.00 0.03 H HETATM 1613 H39 ILE A 99 22.933 119.049 61.106 1.00 0.03 H HETATM 1614 H36 ILE A 99 25.351 119.170 61.054 1.00 0.03 H HETATM 1615 H37 ILE A 99 24.824 117.528 61.558 1.00 0.03 H HETATM 1616 H35 ILE A 99 25.247 116.697 59.262 1.00 0.08 H HETATM 1617 H34 ILE A 99 27.784 117.960 60.069 1.00 0.19 H HETATM 1618 CB ILE A 99 29.545 115.288 60.092 1.00 0.04 C HETATM 1619 CG ILE A 99 30.978 115.059 60.518 1.00 0.04 C HETATM 1620 OD1 ILE A 99 31.466 115.777 61.415 1.00 -0.57 O HETATM 1621 OD2 ILE A 99 31.621 114.160 59.943 1.00 -0.57 O HETATM 1622 H32 ILE A 99 29.538 115.980 59.237 1.00 0.05 H HETATM 1623 H33 ILE A 99 29.110 114.325 59.788 1.00 0.05 H HETATM 1624 H31 ILE A 99 29.125 116.837 61.532 1.00 0.08 H HETATM 1625 H30 ILE A 99 28.460 113.993 62.184 1.00 0.19 H HETATM 1626 CB ILE A 99 26.972 114.338 64.909 1.00 0.02 C HETATM 1627 CG ILE A 99 26.532 113.417 66.019 1.00 -0.05 C HETATM 1628 CD1 ILE A 99 26.334 112.066 65.788 1.00 -0.07 C HETATM 1629 CE1 ILE A 99 25.915 111.218 66.812 1.00 -0.04 C HETATM 1630 CZ ILE A 99 25.687 111.733 68.072 1.00 0.08 C HETATM 1631 CE2 ILE A 99 25.872 113.074 68.315 1.00 -0.04 C HETATM 1632 CD2 ILE A 99 26.290 113.906 67.294 1.00 -0.07 C HETATM 1633 H26 ILE A 99 26.432 114.962 67.494 1.00 0.05 H HETATM 1634 H28 ILE A 99 25.690 113.477 69.305 1.00 0.05 H HETATM 1635 OH ILE A 99 25.271 110.914 69.100 1.00 -0.34 O HETATM 1636 H29 ILE A 99 25.189 110.023 68.780 1.00 0.25 H HETATM 1637 H27 ILE A 99 25.769 110.161 66.620 1.00 0.05 H HETATM 1638 H25 ILE A 99 26.507 111.662 64.797 1.00 0.05 H HETATM 1639 H23 ILE A 99 26.510 113.988 63.974 1.00 0.05 H HETATM 1640 H24 ILE A 99 26.608 115.349 65.142 1.00 0.05 H HETATM 1641 H22 ILE A 99 28.871 113.428 64.416 1.00 0.08 H HETATM 1642 H21 ILE A 99 29.118 115.903 66.079 1.00 0.19 H HETATM 1643 CB ILE A 99 31.934 115.536 66.846 1.00 0.09 C HETATM 1644 OG1 ILE A 99 32.755 114.522 66.252 1.00 -0.39 O HETATM 1645 H17 ILE A 99 33.452 114.932 65.753 1.00 0.21 H HETATM 1646 CG2 ILE A 99 32.787 116.443 67.731 1.00 -0.03 C HETATM 1647 H18 ILE A 99 33.584 116.900 67.127 1.00 0.03 H HETATM 1648 H19 ILE A 99 33.235 115.849 68.541 1.00 0.03 H HETATM 1649 H20 ILE A 99 32.155 117.233 68.163 1.00 0.03 H HETATM 1650 H16 ILE A 99 31.486 116.145 66.047 1.00 0.06 H HETATM 1651 H15 ILE A 99 30.208 115.664 68.139 1.00 0.08 H HETATM 1652 H14 ILE A 99 31.932 113.253 68.481 1.00 0.19 H HETATM 1653 CB ILE A 99 30.623 112.424 71.649 1.00 0.02 C HETATM 1654 CG1 ILE A 99 31.247 111.583 72.772 1.00 -0.05 C HETATM 1655 CD1 ILE A 99 30.231 110.841 73.613 1.00 -0.06 C HETATM 1656 H11 ILE A 99 30.751 110.264 74.392 1.00 0.02 H HETATM 1657 H12 ILE A 99 29.655 110.156 72.973 1.00 0.02 H HETATM 1658 H13 ILE A 99 29.549 111.563 74.085 1.00 0.02 H HETATM 1659 H6 ILE A 99 31.820 112.253 73.430 1.00 0.03 H HETATM 1660 H7 ILE A 99 31.926 110.846 72.318 1.00 0.03 H HETATM 1661 CG2 ILE A 99 29.982 111.550 70.580 1.00 -0.06 C HETATM 1662 H8 ILE A 99 29.548 112.188 69.796 1.00 0.02 H HETATM 1663 H9 ILE A 99 29.190 110.937 71.034 1.00 0.02 H HETATM 1664 H10 ILE A 99 30.745 110.893 70.137 1.00 0.02 H HETATM 1665 H5 ILE A 99 29.836 113.053 72.090 1.00 0.04 H HETATM 1666 H4 ILE A 99 32.452 112.723 70.543 1.00 0.11 H HETATM 1667 H1 ILE A 99 33.008 114.765 71.616 1.00 0.20 H HETATM 1668 H2 ILE A 99 32.760 113.584 72.735 1.00 0.20 H HETATM 1669 H3 ILE A 99 31.617 114.745 72.496 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1493 1494 1667 1668 1669 CONECT 1494 1493 1495 1653 1666 CONECT 1495 1494 1496 1497 CONECT 1496 1495 CONECT 1497 1495 1498 1652 CONECT 1498 1497 1499 1643 1651 CONECT 1499 1498 1500 1501 CONECT 1500 1499 CONECT 1501 1499 1502 1642 CONECT 1502 1501 1503 1626 1641 CONECT 1503 1502 1504 1505 CONECT 1504 1503 CONECT 1505 1503 1506 1625 CONECT 1506 1505 1507 1618 1624 CONECT 1507 1506 1508 1509 CONECT 1508 1507 CONECT 1509 1507 1510 1617 CONECT 1510 1509 1511 1600 1616 CONECT 1511 1510 1512 1513 CONECT 1512 1511 CONECT 1513 1511 1514 1599 CONECT 1514 1513 1515 1597 1598 CONECT 1515 1514 1516 1517 CONECT 1516 1515 CONECT 1517 1515 1518 1596 CONECT 1518 1517 1519 1582 1595 CONECT 1519 1518 1520 1521 CONECT 1520 1519 CONECT 1521 1519 1522 1581 CONECT 1522 1521 1523 1569 1580 CONECT 1523 1522 1524 1525 CONECT 1524 1523 CONECT 1525 1523 1526 1568 CONECT 1526 1525 1527 1559 1567 CONECT 1527 1526 1528 1529 CONECT 1528 1527 CONECT 1529 1527 1530 1558 CONECT 1530 1529 1531 1551 1557 CONECT 1531 1530 1532 1533 CONECT 1532 1531 CONECT 1533 1531 1534 1550 CONECT 1534 1533 1535 1538 1549 CONECT 1535 1534 1536 1537 CONECT 1536 1535 CONECT 1537 1535 CONECT 1538 1534 1539 1547 1548 CONECT 1539 1538 1540 1545 1546 CONECT 1540 1539 1541 1542 CONECT 1541 1540 CONECT 1542 1540 1543 1544 CONECT 1543 1542 CONECT 1544 1542 CONECT 1545 1539 CONECT 1546 1539 CONECT 1547 1538 CONECT 1548 1538 CONECT 1549 1534 CONECT 1550 1533 CONECT 1551 1530 1552 1555 1556 CONECT 1552 1551 1553 1554 CONECT 1553 1552 CONECT 1554 1552 CONECT 1555 1551 CONECT 1556 1551 CONECT 1557 1530 CONECT 1558 1529 CONECT 1559 1526 1560 1562 1566 CONECT 1560 1559 1561 CONECT 1561 1560 CONECT 1562 1559 1563 1564 1565 CONECT 1563 1562 CONECT 1564 1562 CONECT 1565 1562 CONECT 1566 1559 CONECT 1567 1526 CONECT 1568 1525 CONECT 1569 1522 1570 1578 1579 CONECT 1570 1569 1571 1576 1577 CONECT 1571 1570 1572 1573 CONECT 1572 1571 CONECT 1573 1571 1574 1575 CONECT 1574 1573 CONECT 1575 1573 CONECT 1576 1570 CONECT 1577 1570 CONECT 1578 1569 CONECT 1579 1569 CONECT 1580 1522 CONECT 1581 1521 CONECT 1582 1518 1583 1590 1594 CONECT 1583 1582 1584 1588 1589 CONECT 1584 1583 1585 1586 1587 CONECT 1585 1584 CONECT 1586 1584 CONECT 1587 1584 CONECT 1588 1583 CONECT 1589 1583 CONECT 1590 1582 1591 1592 1593 CONECT 1591 1590 CONECT 1592 1590 CONECT 1593 1590 CONECT 1594 1582 CONECT 1595 1518 CONECT 1596 1517 CONECT 1597 1514 CONECT 1598 1514 CONECT 1599 1513 CONECT 1600 1510 1601 1614 1615 CONECT 1601 1600 1602 1612 1613 CONECT 1602 1601 1603 1610 1611 CONECT 1603 1602 1604 1608 1609 CONECT 1604 1603 1605 1606 1607 CONECT 1605 1604 CONECT 1606 1604 CONECT 1607 1604 CONECT 1608 1603 CONECT 1609 1603 CONECT 1610 1602 CONECT 1611 1602 CONECT 1612 1601 CONECT 1613 1601 CONECT 1614 1600 CONECT 1615 1600 CONECT 1616 1510 CONECT 1617 1509 CONECT 1618 1506 1619 1622 1623 CONECT 1619 1618 1620 1621 CONECT 1620 1619 CONECT 1621 1619 CONECT 1622 1618 CONECT 1623 1618 CONECT 1624 1506 CONECT 1625 1505 CONECT 1626 1502 1627 1639 1640 CONECT 1627 1626 1628 1632 CONECT 1628 1627 1629 1638 CONECT 1629 1628 1630 1637 CONECT 1630 1629 1631 1635 CONECT 1631 1630 1632 1634 CONECT 1632 1627 1631 1633 CONECT 1633 1632 CONECT 1634 1631 CONECT 1635 1630 1636 CONECT 1636 1635 CONECT 1637 1629 CONECT 1638 1628 CONECT 1639 1626 CONECT 1640 1626 CONECT 1641 1502 CONECT 1642 1501 CONECT 1643 1498 1644 1646 1650 CONECT 1644 1643 1645 CONECT 1645 1644 CONECT 1646 1643 1647 1648 1649 CONECT 1647 1646 CONECT 1648 1646 CONECT 1649 1646 CONECT 1650 1643 CONECT 1651 1498 CONECT 1652 1497 CONECT 1653 1494 1654 1661 1665 CONECT 1654 1653 1655 1659 1660 CONECT 1655 1654 1656 1657 1658 CONECT 1656 1655 CONECT 1657 1655 CONECT 1658 1655 CONECT 1659 1654 CONECT 1660 1654 CONECT 1661 1653 1662 1663 1664 CONECT 1662 1661 CONECT 1663 1661 CONECT 1664 1661 CONECT 1665 1653 CONECT 1666 1494 CONECT 1667 1493 CONECT 1668 1493 CONECT 1669 1493 MASTER 0 0 0 0 0 0 0 0 1668 1 181 7 END
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RCSB PDB
PDBbind
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3mea
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3met
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3oap
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4ds1
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PDBbind
11-mer
4j7i
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PDBbind
11-mer
4j8g
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PDBbind
11-mer
4jjm
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PDBbind
11-mer
4ln2
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11-mer
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4n7y
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4o62
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11-mer
4pli
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4pr5
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11-mer
4pra
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11-mer
4prb
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4prd
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11-mer
4pre
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11-mer
4prh
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11-mer
4pri
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11-mer
4prn
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PDBbind
11-mer
4prp
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PDBbind
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4pxf
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11-mer
4qc1
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4qyo
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11-mer
4tk1
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11-mer
4tk2
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PDBbind
11-mer
4tk3
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PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
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PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
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11-mer
4w5a
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4wph
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4x6s
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4xc2
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4yje
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11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
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PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
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PDBbind
11-mer
5a0e
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PDBbind
11-mer
5agu
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PDBbind
11-mer
5agv
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PDBbind
11-mer
5ah2
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11-mer
5awt
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PDBbind
11-mer
5awu
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PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
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PDBbind
11-mer
5c7e
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PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
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PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
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Entry Information
PDB ID
4ht6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Dynein light chain 1, cytoplasmic
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=620nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Mol Biol Cell Vol. 24: pp. 2362-2377
Ligand Properties
Formula
C
5
5
H
9
0
N
1
4
O
2
1
Molecular Weight
1283.380
Exact Mass
1282.640
No. of atoms
180
No. of bonds
180
Polar Surface Area
605.05
LOGP Value
-6.10 (
Computed with XLOGP3
)
-2.83 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 53
No. of Nitrogen and Oxygen Atoms: 35
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(=O)O)[C@H](O)C)CCC(=O)N)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H]([C@H](CC)C)[NH3+])Cc1ccc(cc1)O)CC(=O)O
InChI String
InChI=1S/C55H88N14O21/c1-7-25(3)42(59)51(85)69-45(28(6)71)54(88)65-34(21-29-12-14-30(72)15-13-29)48(82)64-35(22-40(76)77)49(83)61-31(11-9-10-20-56)46(80)60-24-39(75)67-43(26(4)8-2)52(86)62-32(16-18-37(57)73)47(81)68-44(27(5)70)53(87)66-36(23-41(78)79)50(84)63-33(55(89)90)17-19-38(58)74/h12-15,25-28,31-36,42-45,70-72H,7-11,16-24,56,59H2,1-6H3,(H2,57,73)(H2,58,74)(H,60,80)(H,61,83)(H,62,86)(H,63,84)(H,64,82)(H,65,88)(H,66,87)(H,67,75)(H,68,81)(H,69,85)(H,76,77)(H,78,79)(H,89,90)/p+2/t25-,26-,27+,28+,31-,32-,33-,34-,35-,36-,42-,43-,44-,45-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P40960
Q02647
Entrez Gene ID
NCBI Entrez Gene ID:
852099
852034
ASD
Information of known allosteric effects of PDB entries
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