Browse entries in the PDBbind-CN Database
HEADER 4TMP_COMPLEX COMPND 4TMP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 138 MET ALA SER SER CYS ALA VAL GLN VAL LYS LEU GLU LEU SEQRES 2 A 138 GLY HIS ARG ALA GLN VAL ARG LYS LYS PRO THR VAL GLU SEQRES 3 A 138 GLY PHE THR HIS ASP TRP MET VAL PHE VAL ARG GLY PRO SEQRES 4 A 138 GLU HIS SER ASN ILE GLN HIS PHE VAL GLU LYS VAL VAL SEQRES 5 A 138 PHE HIS LEU HIS GLU SER PHE PRO ARG PRO LYS ARG VAL SEQRES 6 A 138 CYS LYS ASP PRO PRO TYR LYS VAL GLU GLU SER GLY TYR SEQRES 7 A 138 ALA GLY PHE ILE LEU PRO ILE GLU VAL TYR PHE LYS ASN SEQRES 8 A 138 LYS GLU GLU PRO ARG LYS VAL ARG PHE ASP TYR ASP LEU SEQRES 9 A 138 PHE LEU HIS LEU GLU GLY HIS PRO PRO VAL ASN HIS LEU SEQRES 10 A 138 ARG CYS GLU LYS LEU THR PHE ASN ASN PRO THR GLU ASP SEQRES 11 A 138 PHE ARG ARG LYS LEU LEU LYS ALA HET THR A 241 143 ATOM 1 N MET A 1 -1.166 -28.170 13.473 1.00 56.33 N ATOM 2 CA MET A 1 -2.081 -27.068 13.874 1.00 55.27 C ATOM 3 C MET A 1 -3.165 -26.822 12.825 1.00 52.93 C ATOM 4 O MET A 1 -2.905 -26.775 11.641 1.00 55.31 O ATOM 5 CB MET A 1 -1.307 -25.776 14.117 1.00 58.28 C ATOM 6 CG MET A 1 -0.163 -25.892 15.137 1.00 77.49 C ATOM 7 SD MET A 1 -0.631 -26.205 16.860 1.00 91.83 S ATOM 8 CE MET A 1 -0.772 -24.520 17.511 1.00 55.15 C ATOM 9 HN3 MET A 1 -0.703 -27.925 12.575 1.00 0.00 H ATOM 10 HN2 MET A 1 -1.712 -29.047 13.355 1.00 0.00 H ATOM 11 HN1 MET A 1 -0.445 -28.306 14.210 1.00 0.00 H ATOM 12 N ALA A 2 -4.398 -26.678 13.282 1.00 56.54 N ATOM 13 CA ALA A 2 -5.492 -26.255 12.419 1.00 59.93 C ATOM 14 C ALA A 2 -5.445 -24.745 12.142 1.00 54.58 C ATOM 15 O ALA A 2 -6.135 -24.259 11.248 1.00 47.28 O ATOM 16 CB ALA A 2 -6.834 -26.618 13.050 1.00 48.64 C ATOM 17 H ALA A 2 -4.591 -26.872 14.285 1.00 0.00 H ATOM 18 N SER A 3 -4.645 -24.017 12.911 1.00 48.15 N ATOM 19 CA SER A 3 -4.740 -22.571 12.949 1.00 45.70 C ATOM 20 C SER A 3 -3.588 -21.852 12.232 1.00 39.41 C ATOM 21 O SER A 3 -2.471 -22.330 12.154 1.00 34.97 O ATOM 22 CB SER A 3 -4.812 -22.095 14.410 1.00 47.80 C ATOM 23 OG SER A 3 -3.608 -22.362 15.130 1.00 47.58 O ATOM 24 HG SER A 3 -3.703 -22.039 16.061 1.00 0.00 H ATOM 25 H SER A 3 -3.933 -24.495 13.500 1.00 0.00 H ATOM 26 N SER A 4 -3.905 -20.663 11.753 1.00 37.21 N ATOM 27 CA SER A 4 -2.998 -19.841 11.004 1.00 40.96 C ATOM 28 C SER A 4 -3.378 -18.401 11.306 1.00 38.76 C ATOM 29 O SER A 4 -4.557 -18.114 11.534 1.00 37.17 O ATOM 30 CB SER A 4 -3.102 -20.152 9.507 1.00 31.46 C ATOM 31 OG SER A 4 -2.555 -19.116 8.754 1.00 52.11 O ATOM 32 HG SER A 4 -3.046 -18.277 8.943 1.00 0.00 H ATOM 33 H SER A 4 -4.865 -20.302 11.928 1.00 0.00 H ATOM 34 N CYS A 5 -2.385 -17.512 11.260 1.00 39.03 N ATOM 35 CA CYS A 5 -2.529 -16.110 11.666 1.00 41.08 C ATOM 36 C CYS A 5 -1.918 -15.174 10.655 1.00 42.88 C ATOM 37 O CYS A 5 -0.785 -15.393 10.237 1.00 45.23 O ATOM 38 CB CYS A 5 -1.835 -15.866 12.995 1.00 33.56 C ATOM 39 SG CYS A 5 -2.490 -14.491 13.791 1.00 61.63 S ATOM 40 H CYS A 5 -1.456 -17.831 10.917 1.00 0.00 H ATOM 41 N ALA A 6 -2.646 -14.128 10.282 1.00 39.15 N ATOM 42 CA ALA A 6 -2.033 -12.973 9.616 1.00 39.80 C ATOM 43 C ALA A 6 -2.231 -11.720 10.469 1.00 36.93 C ATOM 44 O ALA A 6 -3.368 -11.353 10.754 1.00 33.82 O ATOM 45 CB ALA A 6 -2.629 -12.753 8.231 1.00 33.18 C ATOM 46 H ALA A 6 -3.670 -14.127 10.465 1.00 0.00 H ATOM 47 N VAL A 7 -1.136 -11.042 10.824 1.00 34.22 N ATOM 48 CA VAL A 7 -1.216 -9.831 11.635 1.00 32.67 C ATOM 49 C VAL A 7 -0.862 -8.586 10.829 1.00 39.39 C ATOM 50 O VAL A 7 0.126 -8.536 10.093 1.00 34.30 O ATOM 51 CB VAL A 7 -0.300 -9.925 12.854 1.00 35.35 C ATOM 52 CG1 VAL A 7 -0.303 -8.629 13.644 1.00 31.09 C ATOM 53 CG2 VAL A 7 -0.747 -11.072 13.747 1.00 42.51 C ATOM 54 H VAL A 7 -0.204 -11.385 10.515 1.00 0.00 H ATOM 55 N GLN A 8 -1.690 -7.572 10.972 1.00 37.53 N ATOM 56 CA GLN A 8 -1.434 -6.319 10.299 1.00 41.47 C ATOM 57 C GLN A 8 -1.171 -5.201 11.301 1.00 41.36 C ATOM 58 O GLN A 8 -1.870 -5.073 12.300 1.00 36.30 O ATOM 59 CB GLN A 8 -2.598 -6.003 9.396 1.00 43.28 C ATOM 60 CG GLN A 8 -2.565 -4.659 8.793 1.00 57.76 C ATOM 61 CD GLN A 8 -3.623 -4.536 7.733 1.00 59.24 C ATOM 62 OE1 GLN A 8 -3.919 -5.518 7.023 1.00 58.34 O ATOM 63 NE2 GLN A 8 -4.236 -3.346 7.638 1.00 53.33 N ATOM 64 HE22 GLN A 8 -3.947 -2.561 8.257 1.00 0.00 H ATOM 65 HE21 GLN A 8 -5.000 -3.208 6.946 1.00 0.00 H ATOM 66 H GLN A 8 -2.533 -7.674 11.573 1.00 0.00 H ATOM 67 N VAL A 9 -0.115 -4.428 11.064 1.00 36.69 N ATOM 68 CA VAL A 9 0.147 -3.245 11.883 1.00 43.46 C ATOM 69 C VAL A 9 0.329 -2.029 10.995 1.00 41.05 C ATOM 70 O VAL A 9 0.863 -2.124 9.888 1.00 35.66 O ATOM 71 CB VAL A 9 1.391 -3.396 12.770 1.00 42.62 C ATOM 72 CG1 VAL A 9 1.107 -4.268 14.016 1.00 41.98 C ATOM 73 CG2 VAL A 9 2.523 -3.951 11.971 1.00 44.63 C ATOM 74 H VAL A 9 0.533 -4.668 10.286 1.00 0.00 H ATOM 75 N LYS A 10 -0.149 -0.902 11.494 1.00 37.82 N ATOM 76 CA LYS A 10 -0.105 0.361 10.770 1.00 43.63 C ATOM 77 C LYS A 10 1.005 1.254 11.319 1.00 38.75 C ATOM 78 O LYS A 10 1.099 1.433 12.526 1.00 32.70 O ATOM 79 CB LYS A 10 -1.432 1.084 10.894 1.00 43.73 C ATOM 80 CG LYS A 10 -2.618 0.371 10.274 1.00 51.36 C ATOM 81 CD LYS A 10 -3.945 0.958 10.794 1.00 44.71 C ATOM 82 CE LYS A 10 -5.088 0.702 9.816 1.00 51.45 C ATOM 83 NZ LYS A 10 -6.300 1.516 10.157 1.00 52.07 N ATOM 84 HZ1 LYS A 10 -6.624 1.268 11.114 1.00 0.00 H ATOM 85 HZ2 LYS A 10 -6.058 2.527 10.122 1.00 0.00 H ATOM 86 HZ3 LYS A 10 -7.055 1.315 9.471 1.00 0.00 H ATOM 87 H LYS A 10 -0.574 -0.918 12.443 1.00 0.00 H ATOM 88 N LEU A 11 1.842 1.788 10.430 1.00 34.58 N ATOM 89 CA LEU A 11 2.812 2.826 10.772 1.00 30.83 C ATOM 90 C LEU A 11 2.462 4.157 10.105 1.00 39.73 C ATOM 91 O LEU A 11 1.875 4.182 9.004 1.00 31.42 O ATOM 92 CB LEU A 11 4.215 2.430 10.322 1.00 40.28 C ATOM 93 CG LEU A 11 4.827 1.149 10.885 1.00 35.44 C ATOM 94 CD1 LEU A 11 6.140 0.902 10.192 1.00 34.53 C ATOM 95 CD2 LEU A 11 5.030 1.283 12.355 1.00 37.37 C ATOM 96 H LEU A 11 1.803 1.450 9.447 1.00 0.00 H ATOM 97 N GLU A 12 2.831 5.260 10.765 1.00 35.69 N ATOM 98 CA GLU A 12 2.788 6.569 10.130 1.00 30.99 C ATOM 99 C GLU A 12 4.232 7.122 10.022 1.00 34.50 C ATOM 100 O GLU A 12 4.960 7.235 11.006 1.00 29.99 O ATOM 101 CB GLU A 12 1.886 7.543 10.900 1.00 29.93 C ATOM 102 CG GLU A 12 0.379 7.222 10.836 1.00 38.65 C ATOM 103 CD GLU A 12 -0.497 8.191 11.672 1.00 42.69 C ATOM 104 OE1 GLU A 12 -1.743 8.162 11.498 1.00 46.27 O ATOM 105 OE2 GLU A 12 0.055 8.993 12.487 1.00 37.95 O ATOM 106 H GLU A 12 3.155 5.181 11.750 1.00 0.00 H ATOM 107 N LEU A 13 4.627 7.417 8.795 1.00 29.73 N ATOM 108 CA LEU A 13 5.843 8.142 8.473 1.00 32.16 C ATOM 109 C LEU A 13 5.415 9.575 8.157 1.00 34.10 C ATOM 110 O LEU A 13 4.390 9.780 7.494 1.00 36.18 O ATOM 111 CB LEU A 13 6.549 7.530 7.248 1.00 29.19 C ATOM 112 CG LEU A 13 7.405 6.297 7.489 1.00 32.32 C ATOM 113 CD1 LEU A 13 6.578 5.143 7.910 1.00 32.47 C ATOM 114 CD2 LEU A 13 8.183 5.969 6.252 1.00 35.58 C ATOM 115 H LEU A 13 4.025 7.108 8.006 1.00 0.00 H ATOM 116 N GLY A 14 6.163 10.569 8.614 1.00 27.67 N ATOM 117 CA GLY A 14 5.822 11.928 8.253 1.00 29.36 C ATOM 118 C GLY A 14 6.904 12.943 8.550 1.00 26.14 C ATOM 119 O GLY A 14 7.922 12.624 9.134 1.00 23.99 O ATOM 120 H GLY A 14 6.983 10.375 9.223 1.00 0.00 H ATOM 121 N HIS A 15 6.671 14.177 8.131 1.00 28.34 N ATOM 122 CA HIS A 15 7.580 15.251 8.481 1.00 32.40 C ATOM 123 C HIS A 15 6.915 16.625 8.457 1.00 27.93 C ATOM 124 O HIS A 15 5.904 16.861 7.796 1.00 24.22 O ATOM 125 CB HIS A 15 8.809 15.241 7.554 1.00 23.52 C ATOM 126 CG HIS A 15 8.601 15.865 6.206 1.00 25.22 C ATOM 127 ND1 HIS A 15 7.826 15.297 5.224 1.00 24.45 N ATOM 128 CD2 HIS A 15 9.167 16.966 5.636 1.00 27.31 C ATOM 129 CE1 HIS A 15 7.859 16.045 4.129 1.00 26.44 C ATOM 130 NE2 HIS A 15 8.683 17.058 4.354 1.00 24.87 N ATOM 131 H HIS A 15 5.833 14.377 7.549 1.00 0.00 H ATOM 132 N ARG A 16 7.522 17.509 9.226 1.00 29.08 N ATOM 133 CA ARG A 16 7.198 18.916 9.205 1.00 37.28 C ATOM 134 C ARG A 16 8.470 19.673 8.779 1.00 35.11 C ATOM 135 O ARG A 16 9.606 19.306 9.163 1.00 27.02 O ATOM 136 CB ARG A 16 6.694 19.375 10.580 1.00 34.94 C ATOM 137 CG ARG A 16 5.451 18.609 11.058 1.00 46.39 C ATOM 138 CD ARG A 16 5.066 18.909 12.512 1.00 53.68 C ATOM 139 NE ARG A 16 4.167 20.061 12.638 1.00 81.83 N ATOM 140 CZ ARG A 16 2.836 19.998 12.760 1.00 80.05 C ATOM 141 NH1 ARG A 16 2.128 21.125 12.878 1.00 69.97 N ATOM 142 NH2 ARG A 16 2.201 18.824 12.773 1.00 74.79 N ATOM 143 HE ARG A 16 4.601 21.006 12.632 1.00 0.00 H ATOM 144 HH12 ARG A 16 1.093 21.082 12.973 1.00 0.00 H ATOM 145 HH11 ARG A 16 2.612 22.046 12.875 1.00 0.00 H ATOM 146 HH22 ARG A 16 1.166 18.794 12.869 1.00 0.00 H ATOM 147 HH21 ARG A 16 2.741 17.940 12.688 1.00 0.00 H ATOM 148 H ARG A 16 8.265 17.178 9.874 1.00 0.00 H ATOM 149 N ALA A 17 8.255 20.718 7.990 1.00 31.12 N ATOM 150 CA ALA A 17 9.328 21.542 7.505 1.00 35.03 C ATOM 151 C ALA A 17 8.868 22.976 7.428 1.00 30.94 C ATOM 152 O ALA A 17 7.862 23.296 6.778 1.00 31.68 O ATOM 153 CB ALA A 17 9.806 21.057 6.128 1.00 33.15 C ATOM 154 H ALA A 17 7.279 20.948 7.714 1.00 0.00 H ATOM 155 N GLN A 18 9.630 23.841 8.076 1.00 28.29 N ATOM 156 CA GLN A 18 9.280 25.260 8.151 1.00 38.78 C ATOM 157 C GLN A 18 10.454 26.202 7.808 1.00 36.35 C ATOM 158 O GLN A 18 11.612 25.982 8.238 1.00 33.68 O ATOM 159 CB GLN A 18 8.784 25.568 9.548 1.00 39.00 C ATOM 160 CG GLN A 18 8.264 26.962 9.709 1.00 55.40 C ATOM 161 CD GLN A 18 7.580 27.139 11.023 1.00 58.55 C ATOM 162 OE1 GLN A 18 7.474 26.187 11.795 1.00 59.37 O ATOM 163 NE2 GLN A 18 7.104 28.354 11.297 1.00 65.59 N ATOM 164 HE22 GLN A 18 7.220 29.125 10.609 1.00 0.00 H ATOM 165 HE21 GLN A 18 6.617 28.530 12.199 1.00 0.00 H ATOM 166 H GLN A 18 10.497 23.506 8.542 1.00 0.00 H ATOM 167 N VAL A 19 10.160 27.232 7.025 1.00 37.78 N ATOM 168 CA VAL A 19 11.155 28.293 6.779 1.00 38.12 C ATOM 169 C VAL A 19 11.495 29.033 8.064 1.00 35.08 C ATOM 170 O VAL A 19 10.607 29.521 8.745 1.00 38.70 O ATOM 171 CB VAL A 19 10.659 29.303 5.759 1.00 40.30 C ATOM 172 CG1 VAL A 19 11.645 30.499 5.638 1.00 39.12 C ATOM 173 CG2 VAL A 19 10.483 28.610 4.413 1.00 37.69 C ATOM 174 H VAL A 19 9.221 27.292 6.581 1.00 0.00 H ATOM 175 N ARG A 20 12.781 29.109 8.396 1.00 31.06 N ATOM 176 CA ARG A 20 13.220 29.885 9.549 1.00 41.23 C ATOM 177 C ARG A 20 13.007 31.397 9.363 1.00 44.29 C ATOM 178 O ARG A 20 13.018 31.907 8.246 1.00 40.06 O ATOM 179 CB ARG A 20 14.683 29.610 9.819 1.00 40.36 C ATOM 180 CG ARG A 20 14.937 28.159 10.086 1.00 42.10 C ATOM 181 CD ARG A 20 16.396 27.883 10.199 1.00 42.76 C ATOM 182 NE ARG A 20 17.059 28.780 11.128 1.00 49.37 N ATOM 183 CZ ARG A 20 17.516 28.434 12.327 1.00 51.17 C ATOM 184 NH1 ARG A 20 17.408 27.188 12.780 1.00 36.66 N ATOM 185 NH2 ARG A 20 18.104 29.359 13.077 1.00 56.89 N ATOM 186 HE ARG A 20 17.186 29.769 10.833 1.00 0.00 H ATOM 187 HH12 ARG A 20 17.774 26.944 13.722 1.00 0.00 H ATOM 188 HH11 ARG A 20 16.957 26.458 12.192 1.00 0.00 H ATOM 189 HH22 ARG A 20 18.469 29.110 14.019 1.00 0.00 H ATOM 190 HH21 ARG A 20 18.200 30.332 12.723 1.00 0.00 H ATOM 191 H ARG A 20 13.487 28.605 7.822 1.00 0.00 H ATOM 192 N LYS A 21 12.779 32.098 10.468 1.00 51.86 N ATOM 193 CA LYS A 21 12.698 33.556 10.448 1.00 56.62 C ATOM 194 C LYS A 21 14.048 34.112 9.995 1.00 53.07 C ATOM 195 O LYS A 21 14.102 34.989 9.133 1.00 58.10 O ATOM 196 CB LYS A 21 12.310 34.101 11.830 1.00 66.52 C ATOM 197 CG LYS A 21 11.468 35.389 11.795 1.00 85.05 C ATOM 198 CD LYS A 21 10.908 35.750 13.180 1.00 99.05 C ATOM 199 CE LYS A 21 10.149 37.086 13.182 1.00105.93 C ATOM 200 NZ LYS A 21 9.432 37.342 14.478 1.00 83.07 N ATOM 201 HZ1 LYS A 21 8.742 36.582 14.647 1.00 0.00 H ATOM 202 HZ2 LYS A 21 10.122 37.365 15.256 1.00 0.00 H ATOM 203 HZ3 LYS A 21 8.937 38.255 14.425 1.00 0.00 H ATOM 204 H LYS A 21 12.655 31.596 11.370 1.00 0.00 H ATOM 205 N LYS A 22 15.132 33.574 10.566 1.00 52.06 N ATOM 206 CA LYS A 22 16.485 33.879 10.111 1.00 51.26 C ATOM 207 C LYS A 22 17.319 32.627 9.755 1.00 52.33 C ATOM 208 O LYS A 22 17.478 31.725 10.573 1.00 49.69 O ATOM 209 CB LYS A 22 17.245 34.690 11.178 1.00 64.93 C ATOM 210 CG LYS A 22 16.948 36.198 11.195 1.00 75.45 C ATOM 211 CD LYS A 22 18.076 37.019 11.876 1.00 77.75 C ATOM 212 CE LYS A 22 17.828 38.544 11.738 1.00 89.51 C ATOM 213 NZ LYS A 22 18.994 39.399 12.141 1.00 81.22 N ATOM 214 HZ1 LYS A 22 19.227 39.217 13.138 1.00 0.00 H ATOM 215 HZ2 LYS A 22 19.814 39.168 11.544 1.00 0.00 H ATOM 216 HZ3 LYS A 22 18.746 40.402 12.019 1.00 0.00 H ATOM 217 H LYS A 22 15.006 32.916 11.361 1.00 0.00 H ATOM 218 N PRO A 23 17.898 32.592 8.545 1.00 50.78 N ATOM 219 CA PRO A 23 18.831 31.513 8.185 1.00 53.87 C ATOM 220 C PRO A 23 19.950 31.300 9.187 1.00 49.98 C ATOM 221 O PRO A 23 20.249 32.200 9.937 1.00 57.47 O ATOM 222 CB PRO A 23 19.406 31.973 6.835 1.00 46.39 C ATOM 223 CG PRO A 23 18.948 33.388 6.661 1.00 48.70 C ATOM 224 CD PRO A 23 17.670 33.498 7.412 1.00 49.22 C ATOM 225 N THR A 24 20.524 30.103 9.211 1.00 51.04 N ATOM 226 CA THR A 24 21.634 29.807 10.091 1.00 53.34 C ATOM 227 C THR A 24 22.880 30.286 9.391 1.00 61.56 C ATOM 228 O THR A 24 22.823 30.736 8.251 1.00 59.71 O ATOM 229 CB THR A 24 21.795 28.292 10.410 1.00 56.28 C ATOM 230 OG1 THR A 24 22.559 27.649 9.374 1.00 48.63 O ATOM 231 CG2 THR A 24 20.440 27.610 10.572 1.00 50.69 C ATOM 232 HG1 THR A 24 22.656 26.687 9.586 1.00 0.00 H ATOM 233 H THR A 24 20.166 29.358 8.580 1.00 0.00 H ATOM 234 N VAL A 25 24.012 30.148 10.057 1.00 61.32 N ATOM 235 CA VAL A 25 25.262 30.631 9.500 1.00 69.15 C ATOM 236 C VAL A 25 25.713 29.787 8.305 1.00 63.56 C ATOM 237 O VAL A 25 26.398 30.291 7.418 1.00 61.74 O ATOM 238 CB VAL A 25 26.377 30.653 10.576 1.00 73.03 C ATOM 239 CG1 VAL A 25 26.080 31.733 11.614 1.00 74.78 C ATOM 240 CG2 VAL A 25 26.533 29.285 11.237 1.00 61.36 C ATOM 241 H VAL A 25 24.008 29.689 10.990 1.00 0.00 H ATOM 242 N GLU A 26 25.342 28.506 8.285 1.00 63.50 N ATOM 243 CA GLU A 26 25.708 27.629 7.165 1.00 56.04 C ATOM 244 C GLU A 26 24.892 27.978 5.955 1.00 52.68 C ATOM 245 O GLU A 26 25.181 27.496 4.855 1.00 52.42 O ATOM 246 CB GLU A 26 25.483 26.143 7.481 1.00 55.66 C ATOM 247 CG GLU A 26 26.447 25.530 8.471 1.00 55.91 C ATOM 248 CD GLU A 26 26.023 25.734 9.910 1.00 63.75 C ATOM 249 OE1 GLU A 26 24.938 26.317 10.152 1.00 59.76 O ATOM 250 OE2 GLU A 26 26.784 25.300 10.803 1.00 76.11 O ATOM 251 H GLU A 26 24.785 28.122 9.075 1.00 0.00 H ATOM 252 N GLY A 27 23.862 28.802 6.172 1.00 46.62 N ATOM 253 CA GLY A 27 22.845 29.055 5.170 1.00 53.05 C ATOM 254 C GLY A 27 21.747 27.988 5.125 1.00 50.49 C ATOM 255 O GLY A 27 21.212 27.692 4.056 1.00 45.84 O ATOM 256 H GLY A 27 23.787 29.279 7.093 1.00 0.00 H ATOM 257 N PHE A 28 21.443 27.376 6.267 1.00 49.70 N ATOM 258 CA PHE A 28 20.270 26.511 6.382 1.00 37.83 C ATOM 259 C PHE A 28 19.054 27.387 6.565 1.00 40.85 C ATOM 260 O PHE A 28 18.952 28.144 7.532 1.00 40.83 O ATOM 261 CB PHE A 28 20.405 25.535 7.556 1.00 40.40 C ATOM 262 CG PHE A 28 21.611 24.641 7.475 1.00 36.93 C ATOM 263 CD1 PHE A 28 22.234 24.400 6.255 1.00 41.77 C ATOM 264 CD2 PHE A 28 22.135 24.062 8.622 1.00 34.81 C ATOM 265 CE1 PHE A 28 23.362 23.575 6.178 1.00 44.46 C ATOM 266 CE2 PHE A 28 23.264 23.242 8.555 1.00 45.64 C ATOM 267 CZ PHE A 28 23.877 22.998 7.323 1.00 43.64 C ATOM 268 H PHE A 28 22.054 27.516 7.097 1.00 0.00 H ATOM 269 N THR A 29 18.122 27.266 5.632 1.00 39.54 N ATOM 270 CA THR A 29 16.938 28.114 5.573 1.00 37.10 C ATOM 271 C THR A 29 15.699 27.490 6.244 1.00 40.01 C ATOM 272 O THR A 29 14.691 28.180 6.457 1.00 33.94 O ATOM 273 CB THR A 29 16.588 28.418 4.102 1.00 41.38 C ATOM 274 OG1 THR A 29 16.486 27.171 3.367 1.00 38.21 O ATOM 275 CG2 THR A 29 17.689 29.289 3.476 1.00 34.16 C ATOM 276 HG1 THR A 29 16.261 27.364 2.422 1.00 0.00 H ATOM 277 H THR A 29 18.241 26.530 4.906 1.00 0.00 H ATOM 278 N HIS A 30 15.765 26.189 6.554 1.00 36.01 N ATOM 279 CA HIS A 30 14.571 25.454 6.986 1.00 32.16 C ATOM 280 C HIS A 30 14.789 24.658 8.268 1.00 28.61 C ATOM 281 O HIS A 30 15.837 24.016 8.460 1.00 26.28 O ATOM 282 CB HIS A 30 14.121 24.484 5.894 1.00 32.77 C ATOM 283 CG HIS A 30 13.319 25.102 4.791 1.00 31.22 C ATOM 284 ND1 HIS A 30 13.896 25.779 3.738 1.00 31.34 N ATOM 285 CD2 HIS A 30 11.991 25.083 4.536 1.00 33.11 C ATOM 286 CE1 HIS A 30 12.960 26.173 2.896 1.00 29.30 C ATOM 287 NE2 HIS A 30 11.794 25.736 3.341 1.00 30.97 N ATOM 288 H HIS A 30 16.676 25.692 6.488 1.00 0.00 H ATOM 289 N ASP A 31 13.790 24.666 9.138 1.00 36.55 N ATOM 290 CA ASP A 31 13.763 23.660 10.213 1.00 34.81 C ATOM 291 C ASP A 31 12.849 22.506 9.827 1.00 31.78 C ATOM 292 O ASP A 31 11.719 22.724 9.375 1.00 32.38 O ATOM 293 CB ASP A 31 13.270 24.268 11.521 1.00 36.97 C ATOM 294 CG ASP A 31 14.223 25.299 12.079 1.00 40.48 C ATOM 295 OD1 ASP A 31 15.468 25.121 11.959 1.00 36.75 O ATOM 296 OD2 ASP A 31 13.707 26.291 12.618 1.00 43.57 O ATOM 297 H ASP A 31 13.033 25.375 9.063 1.00 0.00 H ATOM 298 N TRP A 32 13.297 21.288 10.050 1.00 31.91 N ATOM 299 CA TRP A 32 12.397 20.187 9.808 1.00 36.63 C ATOM 300 C TRP A 32 12.537 19.071 10.829 1.00 30.65 C ATOM 301 O TRP A 32 13.490 19.007 11.597 1.00 27.89 O ATOM 302 CB TRP A 32 12.577 19.644 8.382 1.00 25.43 C ATOM 303 CG TRP A 32 13.982 19.159 8.012 1.00 22.48 C ATOM 304 CD1 TRP A 32 14.882 19.822 7.232 1.00 27.42 C ATOM 305 CD2 TRP A 32 14.599 17.910 8.349 1.00 28.20 C ATOM 306 NE1 TRP A 32 16.017 19.079 7.076 1.00 26.51 N ATOM 307 CE2 TRP A 32 15.882 17.911 7.746 1.00 23.19 C ATOM 308 CE3 TRP A 32 14.197 16.799 9.097 1.00 29.82 C ATOM 309 CZ2 TRP A 32 16.764 16.826 7.850 1.00 25.85 C ATOM 310 CZ3 TRP A 32 15.081 15.739 9.213 1.00 27.36 C ATOM 311 CH2 TRP A 32 16.360 15.765 8.602 1.00 27.51 C ATOM 312 HE1 TRP A 32 16.853 19.366 6.528 1.00 0.00 H ATOM 313 H TRP A 32 14.267 21.125 10.389 1.00 0.00 H ATOM 314 N MET A 33 11.543 18.190 10.807 1.00 29.29 N ATOM 315 CA MET A 33 11.453 17.064 11.743 1.00 32.13 C ATOM 316 C MET A 33 10.773 15.919 10.985 1.00 26.24 C ATOM 317 O MET A 33 9.723 16.105 10.387 1.00 26.55 O ATOM 318 CB MET A 33 10.676 17.479 13.016 1.00 32.00 C ATOM 319 CG MET A 33 10.464 16.398 14.115 1.00 38.00 C ATOM 320 SD MET A 33 9.033 15.319 13.749 1.00 41.31 S ATOM 321 CE MET A 33 7.646 16.422 13.729 1.00 32.99 C ATOM 322 H MET A 33 10.795 18.304 10.094 1.00 0.00 H ATOM 323 N VAL A 34 11.410 14.763 10.978 1.00 29.37 N ATOM 324 CA VAL A 34 10.859 13.583 10.365 1.00 31.18 C ATOM 325 C VAL A 34 10.599 12.563 11.463 1.00 34.08 C ATOM 326 O VAL A 34 11.355 12.505 12.459 1.00 27.90 O ATOM 327 CB VAL A 34 11.828 12.988 9.306 1.00 28.04 C ATOM 328 CG1 VAL A 34 13.074 12.450 9.938 1.00 26.98 C ATOM 329 CG2 VAL A 34 11.140 11.906 8.511 1.00 23.74 C ATOM 330 H VAL A 34 12.344 14.703 11.432 1.00 0.00 H ATOM 331 N PHE A 35 9.585 11.727 11.273 1.00 30.38 N ATOM 332 CA PHE A 35 9.252 10.753 12.299 1.00 31.47 C ATOM 333 C PHE A 35 8.619 9.441 11.786 1.00 33.19 C ATOM 334 O PHE A 35 8.026 9.377 10.723 1.00 26.85 O ATOM 335 CB PHE A 35 8.294 11.392 13.302 1.00 31.60 C ATOM 336 CG PHE A 35 6.973 11.769 12.700 1.00 31.97 C ATOM 337 CD1 PHE A 35 5.960 10.828 12.576 1.00 28.67 C ATOM 338 CD2 PHE A 35 6.747 13.069 12.230 1.00 30.91 C ATOM 339 CE1 PHE A 35 4.747 11.174 11.985 1.00 34.22 C ATOM 340 CE2 PHE A 35 5.531 13.425 11.649 1.00 26.34 C ATOM 341 CZ PHE A 35 4.526 12.470 11.530 1.00 32.01 C ATOM 342 H PHE A 35 9.031 11.769 10.394 1.00 0.00 H ATOM 343 N VAL A 36 8.737 8.408 12.611 1.00 32.80 N ATOM 344 CA VAL A 36 7.982 7.183 12.477 1.00 28.52 C ATOM 345 C VAL A 36 7.172 6.976 13.757 1.00 32.32 C ATOM 346 O VAL A 36 7.725 7.032 14.857 1.00 28.91 O ATOM 347 CB VAL A 36 8.885 5.964 12.266 1.00 27.97 C ATOM 348 CG1 VAL A 36 8.026 4.667 12.193 1.00 27.35 C ATOM 349 CG2 VAL A 36 9.723 6.126 11.029 1.00 28.52 C ATOM 350 H VAL A 36 9.411 8.484 13.399 1.00 0.00 H ATOM 351 N ARG A 37 5.874 6.701 13.621 1.00 32.28 N ATOM 352 CA ARG A 37 5.038 6.485 14.796 1.00 33.71 C ATOM 353 C ARG A 37 3.868 5.555 14.488 1.00 30.34 C ATOM 354 O ARG A 37 3.597 5.248 13.339 1.00 34.15 O ATOM 355 CB ARG A 37 4.506 7.815 15.304 1.00 26.87 C ATOM 356 CG ARG A 37 3.480 8.397 14.349 1.00 34.06 C ATOM 357 CD ARG A 37 2.991 9.724 14.750 1.00 30.89 C ATOM 358 NE ARG A 37 1.852 10.132 13.924 1.00 32.06 N ATOM 359 CZ ARG A 37 1.527 11.409 13.714 1.00 36.09 C ATOM 360 NH1 ARG A 37 0.490 11.724 12.961 1.00 38.75 N ATOM 361 NH2 ARG A 37 2.263 12.371 14.255 1.00 37.23 N ATOM 362 HE ARG A 37 1.270 9.393 13.481 1.00 0.00 H ATOM 363 HH12 ARG A 37 0.246 12.723 12.804 1.00 0.00 H ATOM 364 HH11 ARG A 37 -0.083 10.974 12.525 1.00 0.00 H ATOM 365 HH22 ARG A 37 2.015 13.368 14.095 1.00 0.00 H ATOM 366 HH21 ARG A 37 3.088 12.128 14.839 1.00 0.00 H ATOM 367 H ARG A 37 5.455 6.640 12.671 1.00 0.00 H ATOM 368 N GLY A 38 3.137 5.156 15.521 1.00 33.58 N ATOM 369 CA GLY A 38 1.852 4.508 15.321 1.00 42.21 C ATOM 370 C GLY A 38 0.739 5.548 15.240 1.00 38.65 C ATOM 371 O GLY A 38 0.872 6.648 15.763 1.00 38.76 O ATOM 372 H GLY A 38 3.489 5.309 16.488 1.00 0.00 H ATOM 373 N PRO A 39 -0.378 5.194 14.598 1.00 37.86 N ATOM 374 CA PRO A 39 -1.517 6.122 14.544 1.00 41.18 C ATOM 375 C PRO A 39 -2.151 6.309 15.918 1.00 47.49 C ATOM 376 O PRO A 39 -1.924 5.471 16.806 1.00 42.50 O ATOM 377 CB PRO A 39 -2.467 5.457 13.560 1.00 40.45 C ATOM 378 CG PRO A 39 -2.090 3.978 13.607 1.00 41.94 C ATOM 379 CD PRO A 39 -0.640 3.912 13.927 1.00 36.66 C ATOM 380 N GLU A 40 -2.864 7.425 16.103 1.00 47.02 N ATOM 381 CA GLU A 40 -3.597 7.711 17.339 1.00 52.08 C ATOM 382 C GLU A 40 -2.822 7.369 18.600 1.00 54.17 C ATOM 383 O GLU A 40 -3.353 6.771 19.524 1.00 57.06 O ATOM 384 CB GLU A 40 -4.919 6.956 17.329 1.00 57.37 C ATOM 385 CG GLU A 40 -5.831 7.409 16.184 1.00 63.34 C ATOM 386 CD GLU A 40 -7.058 6.532 16.016 1.00 81.85 C ATOM 387 OE1 GLU A 40 -6.901 5.319 15.729 1.00 79.30 O ATOM 388 OE2 GLU A 40 -8.183 7.061 16.171 1.00 84.81 O ATOM 389 H GLU A 40 -2.900 8.123 15.333 1.00 0.00 H ATOM 390 N HIS A 41 -1.547 7.730 18.606 1.00 51.66 N ATOM 391 CA HIS A 41 -0.687 7.577 19.776 1.00 54.78 C ATOM 392 C HIS A 41 -0.481 6.135 20.222 1.00 53.65 C ATOM 393 O HIS A 41 -0.007 5.889 21.332 1.00 49.37 O ATOM 394 CB HIS A 41 -1.253 8.423 20.916 1.00 62.31 C ATOM 395 CG HIS A 41 -1.366 9.878 20.559 1.00 65.08 C ATOM 396 ND1 HIS A 41 -0.259 10.687 20.374 1.00 58.66 N ATOM 397 CD2 HIS A 41 -2.446 10.654 20.293 1.00 64.71 C ATOM 398 CE1 HIS A 41 -0.655 11.903 20.041 1.00 66.78 C ATOM 399 NE2 HIS A 41 -1.977 11.913 19.990 1.00 73.09 N ATOM 400 H HIS A 41 -1.142 8.140 17.740 1.00 0.00 H ATOM 401 N SER A 42 -0.781 5.182 19.337 1.00 51.12 N ATOM 402 CA SER A 42 -0.544 3.779 19.653 1.00 50.13 C ATOM 403 C SER A 42 0.941 3.549 19.874 1.00 47.21 C ATOM 404 O SER A 42 1.788 4.339 19.444 1.00 42.06 O ATOM 405 CB SER A 42 -1.078 2.865 18.558 1.00 50.18 C ATOM 406 OG SER A 42 -0.371 3.037 17.369 1.00 46.87 O ATOM 407 HG SER A 42 -0.458 3.976 17.068 1.00 0.00 H ATOM 408 H SER A 42 -1.187 5.442 18.415 1.00 0.00 H ATOM 409 N ASN A 43 1.249 2.484 20.593 1.00 41.70 N ATOM 410 CA ASN A 43 2.601 2.247 21.029 1.00 42.34 C ATOM 411 C ASN A 43 3.280 1.175 20.179 1.00 48.56 C ATOM 412 O ASN A 43 3.115 -0.011 20.428 1.00 47.23 O ATOM 413 CB ASN A 43 2.625 1.837 22.498 1.00 43.74 C ATOM 414 CG ASN A 43 4.040 1.719 23.042 1.00 49.82 C ATOM 415 OD1 ASN A 43 5.011 2.135 22.398 1.00 53.00 O ATOM 416 ND2 ASN A 43 4.167 1.168 24.235 1.00 52.71 N ATOM 417 HD22 ASN A 43 3.325 0.831 24.744 1.00 0.00 H ATOM 418 HD21 ASN A 43 5.109 1.071 24.666 1.00 0.00 H ATOM 419 H ASN A 43 0.503 1.806 20.848 1.00 0.00 H ATOM 420 N ILE A 44 4.078 1.594 19.198 1.00 40.31 N ATOM 421 CA ILE A 44 4.724 0.647 18.306 1.00 35.68 C ATOM 422 C ILE A 44 6.005 0.094 18.912 1.00 33.81 C ATOM 423 O ILE A 44 6.571 -0.879 18.391 1.00 29.63 O ATOM 424 CB ILE A 44 5.004 1.274 16.954 1.00 29.85 C ATOM 425 CG1 ILE A 44 5.974 2.453 17.111 1.00 37.80 C ATOM 426 CG2 ILE A 44 3.681 1.718 16.316 1.00 31.85 C ATOM 427 CD1 ILE A 44 6.318 3.152 15.821 1.00 35.46 C ATOM 428 H ILE A 44 4.241 2.613 19.069 1.00 0.00 H ATOM 429 N GLN A 45 6.445 0.658 20.034 1.00 32.42 N ATOM 430 CA GLN A 45 7.628 0.109 20.693 1.00 33.86 C ATOM 431 C GLN A 45 7.472 -1.350 21.160 1.00 30.72 C ATOM 432 O GLN A 45 8.462 -2.043 21.366 1.00 29.44 O ATOM 433 CB GLN A 45 8.012 0.944 21.895 1.00 36.26 C ATOM 434 CG GLN A 45 9.284 0.436 22.523 1.00 32.81 C ATOM 435 CD GLN A 45 9.771 1.313 23.647 1.00 48.17 C ATOM 436 OE1 GLN A 45 8.980 1.956 24.355 1.00 41.75 O ATOM 437 NE2 GLN A 45 11.087 1.347 23.824 1.00 45.50 N ATOM 438 HE22 GLN A 45 11.710 0.790 23.204 1.00 0.00 H ATOM 439 HE21 GLN A 45 11.495 1.930 24.582 1.00 0.00 H ATOM 440 H GLN A 45 5.952 1.480 20.437 1.00 0.00 H ATOM 441 N HIS A 46 6.251 -1.817 21.370 1.00 33.08 N ATOM 442 CA HIS A 46 6.093 -3.226 21.706 1.00 35.71 C ATOM 443 C HIS A 46 6.768 -4.109 20.668 1.00 35.40 C ATOM 444 O HIS A 46 7.383 -5.109 21.024 1.00 35.31 O ATOM 445 CB HIS A 46 4.634 -3.601 21.810 1.00 34.55 C ATOM 446 CG HIS A 46 3.958 -3.041 23.018 1.00 43.71 C ATOM 447 ND1 HIS A 46 4.302 -3.415 24.300 1.00 44.45 N ATOM 448 CD2 HIS A 46 2.939 -2.154 23.141 1.00 39.87 C ATOM 449 CE1 HIS A 46 3.519 -2.785 25.159 1.00 47.19 C ATOM 450 NE2 HIS A 46 2.682 -2.019 24.481 1.00 42.24 N ATOM 451 H HIS A 46 5.423 -1.192 21.297 1.00 0.00 H ATOM 452 N PHE A 47 6.710 -3.735 19.389 1.00 28.17 N ATOM 453 CA PHE A 47 7.323 -4.619 18.386 1.00 34.26 C ATOM 454 C PHE A 47 8.500 -4.002 17.627 1.00 33.38 C ATOM 455 O PHE A 47 9.167 -4.700 16.851 1.00 31.22 O ATOM 456 CB PHE A 47 6.263 -5.103 17.385 1.00 30.34 C ATOM 457 CG PHE A 47 5.637 -4.006 16.561 1.00 32.43 C ATOM 458 CD1 PHE A 47 6.203 -3.619 15.340 1.00 31.25 C ATOM 459 CD2 PHE A 47 4.467 -3.385 16.986 1.00 32.91 C ATOM 460 CE1 PHE A 47 5.614 -2.634 14.584 1.00 33.23 C ATOM 461 CE2 PHE A 47 3.863 -2.409 16.234 1.00 33.27 C ATOM 462 CZ PHE A 47 4.435 -2.020 15.027 1.00 29.62 C ATOM 463 H PHE A 47 6.246 -2.847 19.110 1.00 0.00 H ATOM 464 N VAL A 48 8.762 -2.716 17.837 1.00 30.54 N ATOM 465 CA VAL A 48 9.885 -2.061 17.170 1.00 34.91 C ATOM 466 C VAL A 48 11.141 -2.022 18.041 1.00 33.70 C ATOM 467 O VAL A 48 11.116 -1.499 19.143 1.00 32.25 O ATOM 468 CB VAL A 48 9.544 -0.604 16.762 1.00 33.37 C ATOM 469 CG1 VAL A 48 10.802 0.096 16.234 1.00 27.82 C ATOM 470 CG2 VAL A 48 8.427 -0.581 15.696 1.00 31.07 C ATOM 471 H VAL A 48 8.160 -2.169 18.485 1.00 0.00 H ATOM 472 N GLU A 49 12.238 -2.539 17.504 1.00 34.65 N ATOM 473 CA GLU A 49 13.513 -2.570 18.205 1.00 34.92 C ATOM 474 C GLU A 49 14.176 -1.214 18.104 1.00 40.66 C ATOM 475 O GLU A 49 14.640 -0.652 19.100 1.00 41.70 O ATOM 476 CB GLU A 49 14.407 -3.650 17.619 1.00 37.26 C ATOM 477 CG GLU A 49 15.865 -3.658 18.141 1.00 50.28 C ATOM 478 CD GLU A 49 16.777 -4.568 17.308 1.00 51.04 C ATOM 479 OE1 GLU A 49 16.263 -5.519 16.661 1.00 63.15 O ATOM 480 OE2 GLU A 49 18.004 -4.325 17.269 1.00 55.12 O ATOM 481 H GLU A 49 12.185 -2.938 16.545 1.00 0.00 H ATOM 482 N LYS A 50 14.181 -0.675 16.891 1.00 35.25 N ATOM 483 CA LYS A 50 14.756 0.634 16.640 1.00 37.79 C ATOM 484 C LYS A 50 14.401 1.107 15.248 1.00 38.16 C ATOM 485 O LYS A 50 14.023 0.300 14.371 1.00 36.80 O ATOM 486 CB LYS A 50 16.270 0.601 16.791 1.00 34.48 C ATOM 487 CG LYS A 50 16.942 -0.191 15.700 1.00 36.28 C ATOM 488 CD LYS A 50 18.400 -0.512 15.992 1.00 38.79 C ATOM 489 CE LYS A 50 19.050 -1.178 14.784 1.00 34.76 C ATOM 490 NZ LYS A 50 20.303 -1.870 15.099 1.00 49.75 N ATOM 491 HZ1 LYS A 50 20.987 -1.188 15.484 1.00 0.00 H ATOM 492 HZ2 LYS A 50 20.120 -2.613 15.803 1.00 0.00 H ATOM 493 HZ3 LYS A 50 20.688 -2.298 14.233 1.00 0.00 H ATOM 494 H LYS A 50 13.762 -1.204 16.100 1.00 0.00 H ATOM 495 N VAL A 51 14.532 2.423 15.066 1.00 35.81 N ATOM 496 CA VAL A 51 14.342 3.095 13.787 1.00 28.72 C ATOM 497 C VAL A 51 15.620 3.805 13.389 1.00 32.10 C ATOM 498 O VAL A 51 16.158 4.614 14.138 1.00 31.86 O ATOM 499 CB VAL A 51 13.201 4.101 13.842 1.00 29.29 C ATOM 500 CG1 VAL A 51 13.017 4.737 12.510 1.00 29.52 C ATOM 501 CG2 VAL A 51 11.923 3.418 14.278 1.00 30.64 C ATOM 502 H VAL A 51 14.786 3.006 15.889 1.00 0.00 H ATOM 503 N VAL A 52 16.108 3.503 12.202 1.00 31.98 N ATOM 504 CA VAL A 52 17.298 4.147 11.695 1.00 30.59 C ATOM 505 C VAL A 52 16.923 5.156 10.591 1.00 30.30 C ATOM 506 O VAL A 52 16.257 4.793 9.625 1.00 32.66 O ATOM 507 CB VAL A 52 18.278 3.096 11.173 1.00 33.43 C ATOM 508 CG1 VAL A 52 19.522 3.750 10.611 1.00 33.34 C ATOM 509 CG2 VAL A 52 18.660 2.166 12.304 1.00 36.76 C ATOM 510 H VAL A 52 15.627 2.788 11.620 1.00 0.00 H ATOM 511 N PHE A 53 17.309 6.418 10.768 1.00 30.02 N ATOM 512 CA PHE A 53 17.128 7.444 9.749 1.00 27.06 C ATOM 513 C PHE A 53 18.454 7.774 9.041 1.00 27.67 C ATOM 514 O PHE A 53 19.361 8.313 9.663 1.00 31.14 O ATOM 515 CB PHE A 53 16.593 8.709 10.347 1.00 25.67 C ATOM 516 CG PHE A 53 15.291 8.570 11.077 1.00 30.41 C ATOM 517 CD1 PHE A 53 15.262 8.186 12.427 1.00 34.31 C ATOM 518 CD2 PHE A 53 14.102 8.909 10.459 1.00 29.05 C ATOM 519 CE1 PHE A 53 14.074 8.121 13.119 1.00 30.43 C ATOM 520 CE2 PHE A 53 12.896 8.823 11.144 1.00 32.17 C ATOM 521 CZ PHE A 53 12.879 8.431 12.478 1.00 30.68 C ATOM 522 H PHE A 53 17.757 6.682 11.669 1.00 0.00 H ATOM 523 N HIS A 54 18.581 7.431 7.764 1.00 30.70 N ATOM 524 CA HIS A 54 19.799 7.701 7.005 1.00 30.03 C ATOM 525 C HIS A 54 19.753 9.089 6.326 1.00 28.87 C ATOM 526 O HIS A 54 19.172 9.243 5.256 1.00 28.75 O ATOM 527 CB HIS A 54 20.007 6.633 5.949 1.00 28.60 C ATOM 528 CG HIS A 54 20.123 5.246 6.486 1.00 34.12 C ATOM 529 ND1 HIS A 54 21.340 4.625 6.674 1.00 37.32 N ATOM 530 CD2 HIS A 54 19.181 4.337 6.829 1.00 31.40 C ATOM 531 CE1 HIS A 54 21.145 3.405 7.141 1.00 27.97 C ATOM 532 NE2 HIS A 54 19.843 3.200 7.225 1.00 35.95 N ATOM 533 H HIS A 54 17.787 6.955 7.289 1.00 0.00 H ATOM 534 N LEU A 55 20.358 10.090 6.943 1.00 29.82 N ATOM 535 CA LEU A 55 20.342 11.428 6.362 1.00 29.60 C ATOM 536 C LEU A 55 21.289 11.570 5.196 1.00 27.48 C ATOM 537 O LEU A 55 22.195 10.746 4.978 1.00 25.35 O ATOM 538 CB LEU A 55 20.710 12.455 7.404 1.00 30.39 C ATOM 539 CG LEU A 55 19.883 12.333 8.676 1.00 36.64 C ATOM 540 CD1 LEU A 55 20.266 13.475 9.614 1.00 29.43 C ATOM 541 CD2 LEU A 55 18.384 12.362 8.364 1.00 31.28 C ATOM 542 H LEU A 55 20.847 9.923 7.846 1.00 0.00 H ATOM 543 N HIS A 56 21.066 12.620 4.420 1.00 29.13 N ATOM 544 CA HIS A 56 21.940 12.917 3.289 1.00 36.01 C ATOM 545 C HIS A 56 23.407 13.076 3.741 1.00 34.46 C ATOM 546 O HIS A 56 23.653 13.631 4.788 1.00 29.44 O ATOM 547 CB HIS A 56 21.469 14.186 2.603 1.00 36.14 C ATOM 548 CG HIS A 56 22.241 14.516 1.366 1.00 36.22 C ATOM 549 ND1 HIS A 56 23.267 15.430 1.361 1.00 33.65 N ATOM 550 CD2 HIS A 56 22.128 14.063 0.094 1.00 34.77 C ATOM 551 CE1 HIS A 56 23.754 15.531 0.139 1.00 36.12 C ATOM 552 NE2 HIS A 56 23.085 14.713 -0.648 1.00 40.48 N ATOM 553 H HIS A 56 20.257 13.242 4.619 1.00 0.00 H ATOM 554 N GLU A 57 24.365 12.610 2.945 1.00 38.27 N ATOM 555 CA GLU A 57 25.791 12.652 3.336 1.00 43.82 C ATOM 556 C GLU A 57 26.275 14.032 3.804 1.00 38.76 C ATOM 557 O GLU A 57 27.195 14.130 4.599 1.00 41.15 O ATOM 558 CB GLU A 57 26.674 12.175 2.170 1.00 48.97 C ATOM 559 CG GLU A 57 26.773 13.182 1.010 1.00 49.96 C ATOM 560 CD GLU A 57 27.510 12.628 -0.211 1.00 64.52 C ATOM 561 OE1 GLU A 57 27.948 11.448 -0.161 1.00 63.02 O ATOM 562 OE2 GLU A 57 27.636 13.376 -1.221 1.00 65.40 O ATOM 563 H GLU A 57 24.105 12.205 2.023 1.00 0.00 H ATOM 564 N SER A 58 25.624 15.097 3.354 1.00 42.43 N ATOM 565 CA SER A 58 25.977 16.467 3.770 1.00 35.85 C ATOM 566 C SER A 58 25.762 16.755 5.245 1.00 40.41 C ATOM 567 O SER A 58 26.116 17.835 5.722 1.00 40.10 O ATOM 568 CB SER A 58 25.165 17.500 2.957 1.00 45.10 C ATOM 569 OG SER A 58 23.744 17.454 3.215 1.00 44.01 O ATOM 570 HG SER A 58 23.397 16.556 2.983 1.00 0.00 H ATOM 571 H SER A 58 24.839 14.961 2.686 1.00 0.00 H ATOM 572 N PHE A 59 25.105 15.840 5.954 1.00 41.14 N ATOM 573 CA PHE A 59 24.853 16.027 7.383 1.00 42.86 C ATOM 574 C PHE A 59 25.922 15.274 8.164 1.00 45.94 C ATOM 575 O PHE A 59 26.370 14.205 7.750 1.00 40.55 O ATOM 576 CB PHE A 59 23.471 15.510 7.817 1.00 41.36 C ATOM 577 CG PHE A 59 22.320 16.381 7.420 1.00 34.00 C ATOM 578 CD1 PHE A 59 21.858 17.338 8.269 1.00 29.00 C ATOM 579 CD2 PHE A 59 21.670 16.191 6.201 1.00 31.76 C ATOM 580 CE1 PHE A 59 20.778 18.154 7.897 1.00 36.99 C ATOM 581 CE2 PHE A 59 20.598 16.972 5.831 1.00 25.93 C ATOM 582 CZ PHE A 59 20.146 17.959 6.675 1.00 34.67 C ATOM 583 H PHE A 59 24.765 14.977 5.484 1.00 0.00 H ATOM 584 N PRO A 60 26.313 15.818 9.318 1.00 48.91 N ATOM 585 CA PRO A 60 27.261 15.116 10.187 1.00 50.24 C ATOM 586 C PRO A 60 26.605 13.946 10.896 1.00 47.02 C ATOM 587 O PRO A 60 25.491 14.109 11.388 1.00 56.69 O ATOM 588 CB PRO A 60 27.670 16.191 11.185 1.00 46.95 C ATOM 589 CG PRO A 60 26.439 17.061 11.308 1.00 52.40 C ATOM 590 CD PRO A 60 25.795 17.054 9.935 1.00 49.44 C ATOM 591 N ARG A 61 27.287 12.808 10.963 1.00 54.31 N ATOM 592 CA ARG A 61 26.754 11.607 11.611 1.00 57.46 C ATOM 593 C ARG A 61 25.407 11.254 10.970 1.00 50.43 C ATOM 594 O ARG A 61 24.360 11.304 11.621 1.00 46.67 O ATOM 595 CB ARG A 61 26.578 11.809 13.124 1.00 61.10 C ATOM 596 CG ARG A 61 27.789 12.332 13.900 1.00 72.28 C ATOM 597 CD ARG A 61 27.408 12.722 15.365 1.00 80.06 C ATOM 598 NE ARG A 61 26.443 13.835 15.455 1.00 93.08 N ATOM 599 CZ ARG A 61 25.168 13.732 15.857 1.00 82.11 C ATOM 600 NH1 ARG A 61 24.394 14.829 15.892 1.00 72.17 N ATOM 601 NH2 ARG A 61 24.654 12.552 16.227 1.00 72.87 N ATOM 602 HE ARG A 61 26.781 14.780 15.183 1.00 0.00 H ATOM 603 HH12 ARG A 61 23.404 14.757 16.203 1.00 0.00 H ATOM 604 HH11 ARG A 61 24.785 15.750 15.608 1.00 0.00 H ATOM 605 HH22 ARG A 61 23.663 12.490 16.536 1.00 0.00 H ATOM 606 HH21 ARG A 61 25.246 11.697 16.205 1.00 0.00 H ATOM 607 H ARG A 61 28.236 12.768 10.539 1.00 0.00 H ATOM 608 N PRO A 62 25.433 10.926 9.680 1.00 48.77 N ATOM 609 CA PRO A 62 24.199 10.802 8.891 1.00 47.49 C ATOM 610 C PRO A 62 23.291 9.637 9.332 1.00 41.93 C ATOM 611 O PRO A 62 22.068 9.752 9.191 1.00 37.72 O ATOM 612 CB PRO A 62 24.714 10.591 7.473 1.00 40.62 C ATOM 613 CG PRO A 62 26.088 10.039 7.652 1.00 38.40 C ATOM 614 CD PRO A 62 26.635 10.677 8.874 1.00 42.22 C ATOM 615 N LYS A 63 23.861 8.559 9.857 1.00 41.64 N ATOM 616 CA LYS A 63 23.060 7.453 10.377 1.00 37.59 C ATOM 617 C LYS A 63 22.534 7.751 11.779 1.00 35.84 C ATOM 618 O LYS A 63 23.240 7.590 12.775 1.00 40.50 O ATOM 619 CB LYS A 63 23.877 6.161 10.364 1.00 34.08 C ATOM 620 CG LYS A 63 23.078 4.973 10.776 1.00 35.26 C ATOM 621 CD LYS A 63 23.700 3.701 10.301 1.00 40.62 C ATOM 622 CE LYS A 63 24.319 2.934 11.435 1.00 40.04 C ATOM 623 NZ LYS A 63 24.388 1.482 11.103 1.00 59.72 N ATOM 624 HZ1 LYS A 63 23.428 1.121 10.933 1.00 0.00 H ATOM 625 HZ2 LYS A 63 24.966 1.350 10.248 1.00 0.00 H ATOM 626 HZ3 LYS A 63 24.818 0.966 11.897 1.00 0.00 H ATOM 627 H LYS A 63 24.899 8.501 9.899 1.00 0.00 H ATOM 628 N ARG A 64 21.294 8.227 11.847 1.00 34.57 N ATOM 629 CA ARG A 64 20.647 8.557 13.121 1.00 32.74 C ATOM 630 C ARG A 64 19.777 7.397 13.631 1.00 40.52 C ATOM 631 O ARG A 64 18.819 6.956 12.978 1.00 34.41 O ATOM 632 CB ARG A 64 19.789 9.812 12.984 1.00 38.62 C ATOM 633 CG ARG A 64 20.512 11.012 12.379 1.00 39.39 C ATOM 634 CD ARG A 64 21.685 11.479 13.264 1.00 49.36 C ATOM 635 NE ARG A 64 22.418 12.583 12.648 1.00 40.84 N ATOM 636 CZ ARG A 64 22.030 13.848 12.691 1.00 37.80 C ATOM 637 NH1 ARG A 64 22.751 14.775 12.074 1.00 47.50 N ATOM 638 NH2 ARG A 64 20.930 14.198 13.349 1.00 39.37 N ATOM 639 HE ARG A 64 23.300 12.361 12.144 1.00 0.00 H ATOM 640 HH12 ARG A 64 22.453 15.771 12.103 1.00 0.00 H ATOM 641 HH11 ARG A 64 23.615 14.506 11.561 1.00 0.00 H ATOM 642 HH22 ARG A 64 20.635 15.195 13.376 1.00 0.00 H ATOM 643 HH21 ARG A 64 20.364 13.475 13.837 1.00 0.00 H ATOM 644 H ARG A 64 20.764 8.371 10.964 1.00 0.00 H ATOM 645 N VAL A 65 20.109 6.923 14.825 1.00 43.92 N ATOM 646 CA VAL A 65 19.477 5.759 15.404 1.00 32.76 C ATOM 647 C VAL A 65 18.660 6.197 16.591 1.00 35.91 C ATOM 648 O VAL A 65 19.140 6.969 17.417 1.00 41.74 O ATOM 649 CB VAL A 65 20.528 4.720 15.816 1.00 39.72 C ATOM 650 CG1 VAL A 65 19.871 3.446 16.394 1.00 41.46 C ATOM 651 CG2 VAL A 65 21.412 4.374 14.641 1.00 32.89 C ATOM 652 H VAL A 65 20.853 7.408 15.366 1.00 0.00 H ATOM 653 N CYS A 66 17.405 5.755 16.622 1.00 36.28 N ATOM 654 CA CYS A 66 16.499 5.921 17.761 1.00 37.63 C ATOM 655 C CYS A 66 16.055 4.553 18.294 1.00 40.23 C ATOM 656 O CYS A 66 15.302 3.835 17.617 1.00 39.35 O ATOM 657 CB CYS A 66 15.255 6.698 17.380 1.00 33.51 C ATOM 658 SG CYS A 66 15.517 8.345 16.816 1.00 44.15 S ATOM 659 H CYS A 66 17.044 5.259 15.782 1.00 0.00 H ATOM 660 N LYS A 67 16.494 4.200 19.504 1.00 45.12 N ATOM 661 CA LYS A 67 16.163 2.902 20.111 1.00 45.79 C ATOM 662 C LYS A 67 14.873 2.941 20.931 1.00 42.59 C ATOM 663 O LYS A 67 14.315 1.896 21.258 1.00 44.16 O ATOM 664 CB LYS A 67 17.314 2.427 20.997 1.00 49.44 C ATOM 665 CG LYS A 67 18.663 2.415 20.275 1.00 53.12 C ATOM 666 CD LYS A 67 19.549 1.233 20.673 1.00 53.18 C ATOM 667 CE LYS A 67 20.572 0.916 19.582 1.00 63.27 C ATOM 668 NZ LYS A 67 21.213 -0.426 19.736 1.00 71.52 N ATOM 669 HZ1 LYS A 67 21.708 -0.470 20.650 1.00 0.00 H ATOM 670 HZ2 LYS A 67 20.481 -1.164 19.701 1.00 0.00 H ATOM 671 HZ3 LYS A 67 21.894 -0.574 18.964 1.00 0.00 H ATOM 672 H LYS A 67 17.091 4.866 20.036 1.00 0.00 H ATOM 673 N ASP A 68 14.413 4.150 21.233 1.00 34.80 N ATOM 674 CA ASP A 68 13.242 4.376 22.048 1.00 38.64 C ATOM 675 C ASP A 68 12.441 5.492 21.431 1.00 39.76 C ATOM 676 O ASP A 68 13.016 6.374 20.817 1.00 42.84 O ATOM 677 CB ASP A 68 13.637 4.768 23.479 1.00 49.09 C ATOM 678 CG ASP A 68 14.282 3.628 24.245 1.00 52.68 C ATOM 679 OD1 ASP A 68 13.535 2.760 24.737 1.00 54.68 O ATOM 680 OD2 ASP A 68 15.527 3.593 24.354 1.00 49.35 O ATOM 681 H ASP A 68 14.923 4.978 20.863 1.00 0.00 H ATOM 682 N PRO A 69 11.111 5.475 21.593 1.00 41.38 N ATOM 683 CA PRO A 69 10.304 6.606 21.124 1.00 38.90 C ATOM 684 C PRO A 69 10.687 7.925 21.821 1.00 42.61 C ATOM 685 O PRO A 69 11.309 7.888 22.885 1.00 46.33 O ATOM 686 CB PRO A 69 8.866 6.189 21.477 1.00 37.32 C ATOM 687 CG PRO A 69 9.017 5.140 22.513 1.00 38.46 C ATOM 688 CD PRO A 69 10.288 4.434 22.221 1.00 39.81 C ATOM 689 N PRO A 70 10.354 9.071 21.216 1.00 41.78 N ATOM 690 CA PRO A 70 9.823 9.148 19.859 1.00 44.37 C ATOM 691 C PRO A 70 10.944 8.869 18.842 1.00 42.08 C ATOM 692 O PRO A 70 12.118 9.200 19.048 1.00 41.59 O ATOM 693 CB PRO A 70 9.280 10.573 19.769 1.00 41.76 C ATOM 694 CG PRO A 70 10.130 11.330 20.682 1.00 43.89 C ATOM 695 CD PRO A 70 10.503 10.408 21.809 1.00 45.24 C ATOM 696 N TYR A 71 10.572 8.158 17.791 1.00 36.17 N ATOM 697 CA TYR A 71 11.492 7.839 16.727 1.00 36.20 C ATOM 698 C TYR A 71 11.408 9.018 15.788 1.00 36.91 C ATOM 699 O TYR A 71 10.516 9.075 14.933 1.00 29.96 O ATOM 700 CB TYR A 71 11.099 6.540 16.044 1.00 32.32 C ATOM 701 CG TYR A 71 10.932 5.385 17.017 1.00 31.85 C ATOM 702 CD1 TYR A 71 12.040 4.712 17.527 1.00 32.25 C ATOM 703 CD2 TYR A 71 9.670 4.949 17.393 1.00 33.25 C ATOM 704 CE1 TYR A 71 11.900 3.661 18.415 1.00 34.66 C ATOM 705 CE2 TYR A 71 9.513 3.899 18.274 1.00 33.56 C ATOM 706 CZ TYR A 71 10.622 3.259 18.782 1.00 39.68 C ATOM 707 OH TYR A 71 10.450 2.193 19.636 1.00 42.07 O ATOM 708 HH TYR A 71 11.335 1.846 19.911 1.00 0.00 H ATOM 709 H TYR A 71 9.590 7.820 17.730 1.00 0.00 H ATOM 710 N LYS A 72 12.301 9.981 15.980 1.00 32.90 N ATOM 711 CA LYS A 72 12.281 11.166 15.163 1.00 32.88 C ATOM 712 C LYS A 72 13.659 11.801 15.053 1.00 35.96 C ATOM 713 O LYS A 72 14.556 11.545 15.869 1.00 33.41 O ATOM 714 CB LYS A 72 11.279 12.149 15.724 1.00 30.43 C ATOM 715 CG LYS A 72 11.678 12.720 17.072 1.00 40.63 C ATOM 716 CD LYS A 72 11.091 14.115 17.230 1.00 42.07 C ATOM 717 CE LYS A 72 10.991 14.542 18.686 1.00 45.46 C ATOM 718 NZ LYS A 72 10.013 15.665 18.827 1.00 60.02 N ATOM 719 HZ1 LYS A 72 10.330 16.473 18.255 1.00 0.00 H ATOM 720 HZ2 LYS A 72 9.078 15.352 18.498 1.00 0.00 H ATOM 721 HZ3 LYS A 72 9.953 15.948 19.826 1.00 0.00 H ATOM 722 H LYS A 72 13.019 9.879 16.725 1.00 0.00 H ATOM 723 N VAL A 73 13.824 12.613 14.017 1.00 31.84 N ATOM 724 CA VAL A 73 15.029 13.411 13.845 1.00 28.27 C ATOM 725 C VAL A 73 14.609 14.839 13.571 1.00 32.63 C ATOM 726 O VAL A 73 13.687 15.073 12.782 1.00 31.00 O ATOM 727 CB VAL A 73 15.919 12.890 12.715 1.00 32.90 C ATOM 728 CG1 VAL A 73 17.081 13.855 12.447 1.00 36.00 C ATOM 729 CG2 VAL A 73 16.469 11.506 13.056 1.00 34.18 C ATOM 730 H VAL A 73 13.069 12.682 13.305 1.00 0.00 H ATOM 731 N GLU A 74 15.255 15.781 14.262 1.00 35.57 N ATOM 732 CA GLU A 74 15.012 17.215 14.062 1.00 35.90 C ATOM 733 C GLU A 74 16.276 17.821 13.515 1.00 36.08 C ATOM 734 O GLU A 74 17.353 17.569 14.024 1.00 28.98 O ATOM 735 CB GLU A 74 14.610 17.913 15.353 1.00 32.80 C ATOM 736 CG GLU A 74 13.246 17.479 15.881 1.00 46.51 C ATOM 737 CD GLU A 74 12.872 18.099 17.227 1.00 57.62 C ATOM 738 OE1 GLU A 74 11.724 18.593 17.340 1.00 55.88 O ATOM 739 OE2 GLU A 74 13.712 18.076 18.163 1.00 63.05 O ATOM 740 H GLU A 74 15.958 15.487 14.970 1.00 0.00 H ATOM 741 N GLU A 75 16.158 18.583 12.444 1.00 34.46 N ATOM 742 CA GLU A 75 17.355 19.124 11.842 1.00 35.94 C ATOM 743 C GLU A 75 17.058 20.430 11.153 1.00 31.12 C ATOM 744 O GLU A 75 15.914 20.896 11.095 1.00 29.50 O ATOM 745 CB GLU A 75 17.964 18.119 10.852 1.00 33.79 C ATOM 746 CG GLU A 75 19.035 17.200 11.444 1.00 37.01 C ATOM 747 CD GLU A 75 20.337 17.929 11.798 1.00 43.01 C ATOM 748 OE1 GLU A 75 20.398 19.165 11.592 1.00 42.34 O ATOM 749 OE2 GLU A 75 21.298 17.264 12.247 1.00 41.25 O ATOM 750 H GLU A 75 15.222 18.790 12.041 1.00 0.00 H ATOM 751 N SER A 76 18.125 21.054 10.672 1.00 34.26 N ATOM 752 CA SER A 76 17.996 22.256 9.867 1.00 30.28 C ATOM 753 C SER A 76 18.760 21.998 8.566 1.00 30.28 C ATOM 754 O SER A 76 19.769 21.278 8.551 1.00 32.22 O ATOM 755 CB SER A 76 18.545 23.466 10.627 1.00 37.48 C ATOM 756 OG SER A 76 17.709 23.810 11.720 1.00 38.59 O ATOM 757 HG SER A 76 16.804 24.032 11.385 1.00 0.00 H ATOM 758 H SER A 76 19.072 20.675 10.875 1.00 0.00 H ATOM 759 N GLY A 77 18.289 22.595 7.482 1.00 34.31 N ATOM 760 CA GLY A 77 18.882 22.408 6.173 1.00 28.90 C ATOM 761 C GLY A 77 18.312 23.361 5.130 1.00 31.48 C ATOM 762 O GLY A 77 17.569 24.283 5.481 1.00 28.08 O ATOM 763 H GLY A 77 17.463 23.221 7.573 1.00 0.00 H ATOM 764 N TYR A 78 18.659 23.135 3.855 1.00 30.43 N ATOM 765 CA TYR A 78 18.367 24.092 2.802 1.00 32.17 C ATOM 766 C TYR A 78 17.743 23.401 1.625 1.00 28.02 C ATOM 767 O TYR A 78 17.264 24.074 0.727 1.00 28.97 O ATOM 768 CB TYR A 78 19.651 24.841 2.349 1.00 27.84 C ATOM 769 CG TYR A 78 20.649 23.928 1.697 1.00 32.62 C ATOM 770 CD1 TYR A 78 21.421 23.082 2.451 1.00 37.38 C ATOM 771 CD2 TYR A 78 20.809 23.899 0.320 1.00 37.75 C ATOM 772 CE1 TYR A 78 22.324 22.211 1.862 1.00 40.12 C ATOM 773 CE2 TYR A 78 21.719 23.045 -0.276 1.00 37.35 C ATOM 774 CZ TYR A 78 22.466 22.198 0.505 1.00 41.20 C ATOM 775 OH TYR A 78 23.364 21.318 -0.048 1.00 46.31 O ATOM 776 HH TYR A 78 23.801 20.798 0.672 1.00 0.00 H ATOM 777 H TYR A 78 19.150 22.251 3.613 1.00 0.00 H ATOM 778 N ALA A 79 17.760 22.068 1.601 1.00 30.01 N ATOM 779 CA ALA A 79 17.195 21.360 0.448 1.00 29.80 C ATOM 780 C ALA A 79 16.552 20.033 0.826 1.00 26.72 C ATOM 781 O ALA A 79 16.963 19.412 1.792 1.00 27.97 O ATOM 782 CB ALA A 79 18.283 21.132 -0.600 1.00 25.32 C ATOM 783 H ALA A 79 18.171 21.535 2.394 1.00 0.00 H ATOM 784 N GLY A 80 15.576 19.602 0.017 1.00 25.87 N ATOM 785 CA GLY A 80 14.930 18.317 0.176 1.00 26.58 C ATOM 786 C GLY A 80 15.771 17.146 -0.353 1.00 31.17 C ATOM 787 O GLY A 80 16.684 17.330 -1.152 1.00 30.56 O ATOM 788 H GLY A 80 15.268 20.219 -0.761 1.00 0.00 H ATOM 789 N PHE A 81 15.482 15.938 0.107 1.00 27.06 N ATOM 790 CA PHE A 81 16.298 14.786 -0.269 1.00 29.40 C ATOM 791 C PHE A 81 15.613 13.480 0.066 1.00 25.12 C ATOM 792 O PHE A 81 14.650 13.448 0.859 1.00 25.60 O ATOM 793 CB PHE A 81 17.675 14.848 0.408 1.00 25.33 C ATOM 794 CG PHE A 81 17.627 14.844 1.905 1.00 28.93 C ATOM 795 CD1 PHE A 81 17.445 16.026 2.601 1.00 27.96 C ATOM 796 CD2 PHE A 81 17.785 13.644 2.624 1.00 25.58 C ATOM 797 CE1 PHE A 81 17.393 16.037 4.000 1.00 23.49 C ATOM 798 CE2 PHE A 81 17.738 13.636 4.009 1.00 28.18 C ATOM 799 CZ PHE A 81 17.550 14.836 4.707 1.00 30.72 C ATOM 800 H PHE A 81 14.668 15.809 0.741 1.00 0.00 H ATOM 801 N ILE A 82 16.067 12.408 -0.561 1.00 26.63 N ATOM 802 CA ILE A 82 15.515 11.101 -0.245 1.00 26.93 C ATOM 803 C ILE A 82 16.201 10.609 1.016 1.00 29.91 C ATOM 804 O ILE A 82 17.417 10.651 1.134 1.00 27.25 O ATOM 805 CB ILE A 82 15.707 10.082 -1.377 1.00 29.70 C ATOM 806 CG1 ILE A 82 14.906 10.503 -2.625 1.00 28.15 C ATOM 807 CG2 ILE A 82 15.320 8.673 -0.922 1.00 29.06 C ATOM 808 CD1 ILE A 82 13.417 10.751 -2.367 1.00 35.83 C ATOM 809 H ILE A 82 16.816 12.500 -1.277 1.00 0.00 H ATOM 810 N LEU A 83 15.398 10.136 1.958 1.00 28.42 N ATOM 811 CA LEU A 83 15.881 9.777 3.283 1.00 25.09 C ATOM 812 C LEU A 83 15.457 8.339 3.557 1.00 30.13 C ATOM 813 O LEU A 83 14.309 8.095 3.956 1.00 26.07 O ATOM 814 CB LEU A 83 15.315 10.772 4.321 1.00 25.48 C ATOM 815 CG LEU A 83 15.912 10.790 5.740 1.00 30.65 C ATOM 816 CD1 LEU A 83 15.320 11.941 6.540 1.00 26.30 C ATOM 817 CD2 LEU A 83 15.688 9.451 6.475 1.00 27.91 C ATOM 818 H LEU A 83 14.387 10.017 1.743 1.00 0.00 H ATOM 819 N PRO A 84 16.370 7.382 3.320 1.00 24.67 N ATOM 820 CA PRO A 84 16.066 5.984 3.665 1.00 31.53 C ATOM 821 C PRO A 84 15.863 5.788 5.177 1.00 29.65 C ATOM 822 O PRO A 84 16.614 6.331 6.010 1.00 27.39 O ATOM 823 CB PRO A 84 17.309 5.198 3.156 1.00 27.70 C ATOM 824 CG PRO A 84 18.018 6.177 2.182 1.00 31.25 C ATOM 825 CD PRO A 84 17.710 7.540 2.715 1.00 26.71 C ATOM 826 N ILE A 85 14.824 5.037 5.510 1.00 27.61 N ATOM 827 CA ILE A 85 14.445 4.733 6.887 1.00 28.26 C ATOM 828 C ILE A 85 14.353 3.237 7.054 1.00 25.47 C ATOM 829 O ILE A 85 13.763 2.536 6.215 1.00 30.00 O ATOM 830 CB ILE A 85 13.102 5.376 7.264 1.00 27.52 C ATOM 831 CG1 ILE A 85 13.205 6.880 7.167 1.00 27.65 C ATOM 832 CG2 ILE A 85 12.723 5.019 8.658 1.00 34.29 C ATOM 833 CD1 ILE A 85 11.898 7.622 7.441 1.00 27.77 C ATOM 834 H ILE A 85 14.243 4.640 4.744 1.00 0.00 H ATOM 835 N GLU A 86 14.985 2.721 8.100 1.00 32.09 N ATOM 836 CA GLU A 86 14.855 1.301 8.409 1.00 30.76 C ATOM 837 C GLU A 86 14.096 1.125 9.700 1.00 28.72 C ATOM 838 O GLU A 86 14.461 1.703 10.729 1.00 30.17 O ATOM 839 CB GLU A 86 16.211 0.627 8.506 1.00 37.33 C ATOM 840 CG GLU A 86 16.961 0.505 7.178 1.00 35.91 C ATOM 841 CD GLU A 86 18.343 -0.094 7.380 1.00 47.97 C ATOM 842 OE1 GLU A 86 19.245 0.600 7.928 1.00 43.06 O ATOM 843 OE2 GLU A 86 18.520 -1.268 7.011 1.00 45.07 O ATOM 844 H GLU A 86 15.575 3.331 8.702 1.00 0.00 H ATOM 845 N VAL A 87 13.027 0.335 9.662 1.00 24.79 N ATOM 846 CA VAL A 87 12.346 0.007 10.907 1.00 26.78 C ATOM 847 C VAL A 87 12.676 -1.445 11.258 1.00 30.87 C ATOM 848 O VAL A 87 12.265 -2.370 10.557 1.00 33.50 O ATOM 849 CB VAL A 87 10.827 0.224 10.817 1.00 27.04 C ATOM 850 CG1 VAL A 87 10.140 -0.158 12.123 1.00 19.61 C ATOM 851 CG2 VAL A 87 10.502 1.651 10.469 1.00 24.36 C ATOM 852 H VAL A 87 12.682 -0.043 8.757 1.00 0.00 H ATOM 853 N TYR A 88 13.408 -1.606 12.364 1.00 31.56 N ATOM 854 CA TYR A 88 13.833 -2.891 12.893 1.00 30.85 C ATOM 855 C TYR A 88 12.805 -3.480 13.876 1.00 34.33 C ATOM 856 O TYR A 88 12.249 -2.787 14.718 1.00 30.38 O ATOM 857 CB TYR A 88 15.188 -2.733 13.590 1.00 41.09 C ATOM 858 CG TYR A 88 16.376 -2.695 12.648 1.00 35.05 C ATOM 859 CD1 TYR A 88 16.745 -1.516 11.996 1.00 38.39 C ATOM 860 CD2 TYR A 88 17.130 -3.834 12.417 1.00 33.36 C ATOM 861 CE1 TYR A 88 17.857 -1.476 11.141 1.00 39.51 C ATOM 862 CE2 TYR A 88 18.228 -3.815 11.557 1.00 39.12 C ATOM 863 CZ TYR A 88 18.582 -2.631 10.923 1.00 39.13 C ATOM 864 OH TYR A 88 19.656 -2.624 10.080 1.00 40.35 O ATOM 865 HH TYR A 88 19.498 -3.263 9.341 1.00 0.00 H ATOM 866 H TYR A 88 13.694 -0.751 12.883 1.00 0.00 H ATOM 867 N PHE A 89 12.560 -4.776 13.754 1.00 31.30 N ATOM 868 CA PHE A 89 11.568 -5.472 14.575 1.00 33.59 C ATOM 869 C PHE A 89 12.154 -6.341 15.686 1.00 34.54 C ATOM 870 O PHE A 89 13.177 -7.003 15.488 1.00 38.89 O ATOM 871 CB PHE A 89 10.725 -6.373 13.688 1.00 32.53 C ATOM 872 CG PHE A 89 10.080 -5.675 12.596 1.00 34.03 C ATOM 873 CD1 PHE A 89 9.362 -4.490 12.839 1.00 35.38 C ATOM 874 CD2 PHE A 89 10.176 -6.159 11.299 1.00 33.25 C ATOM 875 CE1 PHE A 89 8.719 -3.833 11.807 1.00 29.50 C ATOM 876 CE2 PHE A 89 9.545 -5.477 10.248 1.00 32.13 C ATOM 877 CZ PHE A 89 8.825 -4.317 10.499 1.00 30.91 C ATOM 878 H PHE A 89 13.094 -5.321 13.047 1.00 0.00 H ATOM 879 N LYS A 90 11.452 -6.399 16.815 1.00 36.32 N ATOM 880 CA LYS A 90 11.763 -7.354 17.886 1.00 35.32 C ATOM 881 C LYS A 90 11.351 -8.776 17.525 1.00 33.82 C ATOM 882 O LYS A 90 10.622 -9.447 18.253 1.00 39.86 O ATOM 883 CB LYS A 90 11.071 -6.921 19.161 1.00 37.17 C ATOM 884 CG LYS A 90 11.466 -5.511 19.608 1.00 31.58 C ATOM 885 CD LYS A 90 10.731 -5.107 20.865 1.00 35.48 C ATOM 886 CE LYS A 90 11.399 -3.923 21.557 1.00 37.75 C ATOM 887 NZ LYS A 90 10.457 -3.367 22.591 1.00 36.33 N ATOM 888 HZ1 LYS A 90 9.580 -3.055 22.127 1.00 0.00 H ATOM 889 HZ2 LYS A 90 10.237 -4.105 23.290 1.00 0.00 H ATOM 890 HZ3 LYS A 90 10.905 -2.559 23.068 1.00 0.00 H ATOM 891 H LYS A 90 10.654 -5.744 16.943 1.00 0.00 H ATOM 892 N ASN A 91 11.825 -9.225 16.388 1.00 36.30 N ATOM 893 CA ASN A 91 11.443 -10.507 15.825 1.00 44.99 C ATOM 894 C ASN A 91 12.697 -11.333 15.737 1.00 52.41 C ATOM 895 O ASN A 91 13.757 -10.821 15.360 1.00 52.80 O ATOM 896 CB ASN A 91 10.804 -10.332 14.437 1.00 39.08 C ATOM 897 CG ASN A 91 10.198 -11.629 13.890 1.00 57.05 C ATOM 898 OD1 ASN A 91 10.054 -12.638 14.615 1.00 54.50 O ATOM 899 ND2 ASN A 91 9.837 -11.612 12.598 1.00 50.57 N ATOM 900 HD22 ASN A 91 9.974 -10.751 12.031 1.00 0.00 H ATOM 901 HD21 ASN A 91 9.420 -12.460 12.163 1.00 0.00 H ATOM 902 H ASN A 91 12.505 -8.636 15.866 1.00 0.00 H ATOM 903 N LYS A 92 12.589 -12.600 16.103 1.00 50.07 N ATOM 904 CA LYS A 92 13.747 -13.477 16.088 1.00 59.15 C ATOM 905 C LYS A 92 13.847 -14.210 14.752 1.00 60.75 C ATOM 906 O LYS A 92 14.846 -14.865 14.480 1.00 66.59 O ATOM 907 CB LYS A 92 13.679 -14.455 17.264 1.00 53.29 C ATOM 908 CG LYS A 92 13.721 -13.749 18.628 1.00 59.00 C ATOM 909 CD LYS A 92 13.461 -14.703 19.816 1.00 62.51 C ATOM 910 CE LYS A 92 13.291 -13.919 21.141 1.00 77.75 C ATOM 911 NZ LYS A 92 12.796 -14.748 22.311 1.00 82.21 N ATOM 912 HZ1 LYS A 92 11.866 -15.152 22.079 1.00 0.00 H ATOM 913 HZ2 LYS A 92 13.471 -15.516 22.501 1.00 0.00 H ATOM 914 HZ3 LYS A 92 12.712 -14.143 23.152 1.00 0.00 H ATOM 915 H LYS A 92 11.666 -12.972 16.404 1.00 0.00 H ATOM 916 N GLU A 93 12.828 -14.070 13.905 1.00 58.33 N ATOM 917 CA GLU A 93 12.864 -14.647 12.566 1.00 52.52 C ATOM 918 C GLU A 93 12.810 -13.548 11.518 1.00 54.25 C ATOM 919 O GLU A 93 12.875 -12.374 11.841 1.00 49.05 O ATOM 920 CB GLU A 93 11.702 -15.629 12.357 1.00 57.82 C ATOM 921 CG GLU A 93 11.734 -16.877 13.265 1.00 63.30 C ATOM 922 CD GLU A 93 12.512 -18.063 12.682 1.00 76.79 C ATOM 923 OE1 GLU A 93 12.793 -18.080 11.456 1.00 87.17 O ATOM 924 OE2 GLU A 93 12.835 -18.995 13.462 1.00 71.56 O ATOM 925 H GLU A 93 11.987 -13.537 14.206 1.00 0.00 H ATOM 926 N GLU A 94 12.722 -13.952 10.257 1.00 53.44 N ATOM 927 CA GLU A 94 12.405 -13.048 9.165 1.00 57.90 C ATOM 928 C GLU A 94 10.970 -12.579 9.327 1.00 54.50 C ATOM 929 O GLU A 94 10.151 -13.301 9.892 1.00 59.16 O ATOM 930 CB GLU A 94 12.582 -13.733 7.808 1.00 57.49 C ATOM 931 CG GLU A 94 14.019 -14.091 7.476 1.00 63.19 C ATOM 932 CD GLU A 94 14.877 -12.860 7.271 1.00 66.77 C ATOM 933 OE1 GLU A 94 15.614 -12.479 8.227 1.00 57.75 O ATOM 934 OE2 GLU A 94 14.793 -12.279 6.150 1.00 73.12 O ATOM 935 H GLU A 94 12.887 -14.956 10.042 1.00 0.00 H ATOM 936 N PRO A 95 10.671 -11.346 8.906 1.00 54.44 N ATOM 937 CA PRO A 95 11.646 -10.321 8.530 1.00 57.09 C ATOM 938 C PRO A 95 12.187 -9.636 9.772 1.00 45.94 C ATOM 939 O PRO A 95 11.459 -9.513 10.753 1.00 45.89 O ATOM 940 CB PRO A 95 10.828 -9.361 7.680 1.00 57.31 C ATOM 941 CG PRO A 95 9.459 -9.427 8.292 1.00 49.92 C ATOM 942 CD PRO A 95 9.287 -10.847 8.796 1.00 56.61 C ATOM 943 N ARG A 96 13.441 -9.211 9.739 1.00 44.20 N ATOM 944 CA ARG A 96 14.025 -8.512 10.867 1.00 43.18 C ATOM 945 C ARG A 96 13.725 -7.024 10.780 1.00 40.29 C ATOM 946 O ARG A 96 13.766 -6.296 11.778 1.00 32.25 O ATOM 947 CB ARG A 96 15.534 -8.740 10.911 1.00 46.54 C ATOM 948 CG ARG A 96 15.922 -10.202 11.134 1.00 62.87 C ATOM 949 CD ARG A 96 15.625 -10.636 12.562 1.00 65.56 C ATOM 950 NE ARG A 96 16.231 -9.698 13.507 1.00 75.03 N ATOM 951 CZ ARG A 96 16.667 -10.010 14.720 1.00 83.98 C ATOM 952 NH1 ARG A 96 17.206 -9.067 15.493 1.00 82.99 N ATOM 953 NH2 ARG A 96 16.570 -11.258 15.162 1.00 80.48 N ATOM 954 HE ARG A 96 16.328 -8.708 13.204 1.00 0.00 H ATOM 955 HH12 ARG A 96 17.549 -9.308 16.445 1.00 0.00 H ATOM 956 HH11 ARG A 96 17.284 -8.090 15.144 1.00 0.00 H ATOM 957 HH22 ARG A 96 16.912 -11.501 16.114 1.00 0.00 H ATOM 958 HH21 ARG A 96 16.152 -11.993 14.557 1.00 0.00 H ATOM 959 H ARG A 96 14.016 -9.382 8.890 1.00 0.00 H ATOM 960 N LYS A 97 13.446 -6.562 9.572 1.00 38.42 N ATOM 961 CA LYS A 97 13.243 -5.139 9.352 1.00 40.49 C ATOM 962 C LYS A 97 12.515 -4.905 8.041 1.00 30.19 C ATOM 963 O LYS A 97 12.428 -5.787 7.190 1.00 33.46 O ATOM 964 CB LYS A 97 14.586 -4.397 9.327 1.00 41.31 C ATOM 965 CG LYS A 97 15.454 -4.800 8.123 1.00 40.92 C ATOM 966 CD LYS A 97 16.803 -4.090 8.126 1.00 42.92 C ATOM 967 CE LYS A 97 17.696 -4.556 6.965 1.00 42.12 C ATOM 968 NZ LYS A 97 19.018 -3.879 6.972 1.00 50.13 N ATOM 969 HZ1 LYS A 97 18.881 -2.852 6.884 1.00 0.00 H ATOM 970 HZ2 LYS A 97 19.509 -4.089 7.864 1.00 0.00 H ATOM 971 HZ3 LYS A 97 19.587 -4.223 6.172 1.00 0.00 H ATOM 972 H LYS A 97 13.371 -7.223 8.772 1.00 0.00 H ATOM 973 N VAL A 98 12.045 -3.685 7.912 1.00 29.67 N ATOM 974 CA VAL A 98 11.438 -3.177 6.715 1.00 30.38 C ATOM 975 C VAL A 98 12.106 -1.811 6.408 1.00 30.02 C ATOM 976 O VAL A 98 12.536 -1.055 7.319 1.00 28.45 O ATOM 977 CB VAL A 98 9.910 -3.076 6.900 1.00 30.42 C ATOM 978 CG1 VAL A 98 9.592 -2.026 7.953 1.00 39.23 C ATOM 979 CG2 VAL A 98 9.197 -2.763 5.595 1.00 28.86 C ATOM 980 H VAL A 98 12.117 -3.046 8.730 1.00 0.00 H ATOM 981 N ARG A 99 12.214 -1.527 5.114 1.00 28.68 N ATOM 982 CA ARG A 99 12.933 -0.362 4.588 1.00 32.78 C ATOM 983 C ARG A 99 12.034 0.507 3.752 1.00 27.86 C ATOM 984 O ARG A 99 11.284 0.025 2.947 1.00 32.11 O ATOM 985 CB ARG A 99 14.134 -0.820 3.745 1.00 25.78 C ATOM 986 CG ARG A 99 15.095 -1.729 4.560 1.00 39.65 C ATOM 987 CD ARG A 99 16.522 -1.787 3.963 1.00 44.68 C ATOM 988 NE ARG A 99 16.529 -2.510 2.697 1.00 40.07 N ATOM 989 CZ ARG A 99 17.583 -2.638 1.905 1.00 49.38 C ATOM 990 NH1 ARG A 99 18.734 -2.077 2.253 1.00 52.28 N ATOM 991 NH2 ARG A 99 17.476 -3.315 0.754 1.00 46.00 N ATOM 992 HE ARG A 99 15.641 -2.958 2.393 1.00 0.00 H ATOM 993 HH12 ARG A 99 19.566 -2.173 1.637 1.00 0.00 H ATOM 994 HH11 ARG A 99 18.804 -1.542 3.142 1.00 0.00 H ATOM 995 HH22 ARG A 99 18.303 -3.416 0.131 1.00 0.00 H ATOM 996 HH21 ARG A 99 16.566 -3.739 0.483 1.00 0.00 H ATOM 997 H ARG A 99 11.761 -2.170 4.433 1.00 0.00 H ATOM 998 N PHE A 100 12.095 1.800 3.982 1.00 31.15 N ATOM 999 CA PHE A 100 11.331 2.761 3.202 1.00 30.52 C ATOM 1000 C PHE A 100 12.274 3.815 2.651 1.00 30.92 C ATOM 1001 O PHE A 100 13.269 4.148 3.291 1.00 32.38 O ATOM 1002 CB PHE A 100 10.262 3.459 4.055 1.00 35.23 C ATOM 1003 CG PHE A 100 9.288 2.526 4.710 1.00 32.81 C ATOM 1004 CD1 PHE A 100 8.285 1.929 3.968 1.00 32.25 C ATOM 1005 CD2 PHE A 100 9.335 2.297 6.085 1.00 36.12 C ATOM 1006 CE1 PHE A 100 7.367 1.083 4.561 1.00 38.27 C ATOM 1007 CE2 PHE A 100 8.424 1.440 6.693 1.00 37.49 C ATOM 1008 CZ PHE A 100 7.433 0.821 5.916 1.00 32.77 C ATOM 1009 H PHE A 100 12.709 2.147 4.746 1.00 0.00 H ATOM 1010 N ASP A 101 11.958 4.339 1.473 1.00 26.64 N ATOM 1011 CA ASP A 101 12.552 5.596 1.009 1.00 31.11 C ATOM 1012 C ASP A 101 11.612 6.750 1.294 1.00 28.37 C ATOM 1013 O ASP A 101 10.553 6.854 0.685 1.00 29.11 O ATOM 1014 CB ASP A 101 12.873 5.530 -0.490 1.00 28.22 C ATOM 1015 CG ASP A 101 14.079 4.652 -0.782 1.00 36.60 C ATOM 1016 OD1 ASP A 101 14.953 4.538 0.112 1.00 34.28 O ATOM 1017 OD2 ASP A 101 14.136 4.069 -1.890 1.00 36.94 O ATOM 1018 H ASP A 101 11.273 3.846 0.865 1.00 0.00 H ATOM 1019 N TYR A 102 11.984 7.603 2.242 1.00 30.01 N ATOM 1020 CA TYR A 102 11.113 8.678 2.635 1.00 22.55 C ATOM 1021 C TYR A 102 11.514 9.953 1.889 1.00 28.23 C ATOM 1022 O TYR A 102 12.692 10.313 1.846 1.00 27.34 O ATOM 1023 CB TYR A 102 11.146 8.917 4.161 1.00 22.83 C ATOM 1024 CG TYR A 102 10.110 9.950 4.542 1.00 20.88 C ATOM 1025 CD1 TYR A 102 8.776 9.585 4.637 1.00 30.34 C ATOM 1026 CD2 TYR A 102 10.428 11.298 4.668 1.00 25.64 C ATOM 1027 CE1 TYR A 102 7.794 10.497 4.903 1.00 27.61 C ATOM 1028 CE2 TYR A 102 9.421 12.255 4.952 1.00 27.06 C ATOM 1029 CZ TYR A 102 8.107 11.814 5.057 1.00 26.80 C ATOM 1030 OH TYR A 102 7.067 12.636 5.278 1.00 24.48 O ATOM 1031 HH TYR A 102 7.008 13.296 4.543 1.00 0.00 H ATOM 1032 H TYR A 102 12.910 7.493 2.702 1.00 0.00 H ATOM 1033 N ASP A 103 10.540 10.656 1.333 1.00 28.12 N ATOM 1034 CA ASP A 103 10.817 11.907 0.602 1.00 22.35 C ATOM 1035 C ASP A 103 10.719 13.126 1.523 1.00 24.92 C ATOM 1036 O ASP A 103 9.651 13.641 1.793 1.00 20.22 O ATOM 1037 CB ASP A 103 9.856 12.043 -0.573 1.00 26.63 C ATOM 1038 CG ASP A 103 10.137 13.286 -1.419 1.00 33.51 C ATOM 1039 OD1 ASP A 103 11.140 13.986 -1.128 1.00 26.03 O ATOM 1040 OD2 ASP A 103 9.346 13.552 -2.351 1.00 32.00 O ATOM 1041 H ASP A 103 9.559 10.319 1.413 1.00 0.00 H ATOM 1042 N LEU A 104 11.860 13.561 2.036 1.00 26.43 N ATOM 1043 CA LEU A 104 11.909 14.708 2.907 1.00 20.41 C ATOM 1044 C LEU A 104 11.908 15.964 2.032 1.00 25.78 C ATOM 1045 O LEU A 104 12.961 16.504 1.718 1.00 25.90 O ATOM 1046 CB LEU A 104 13.166 14.637 3.781 1.00 27.81 C ATOM 1047 CG LEU A 104 13.263 15.451 5.091 1.00 33.17 C ATOM 1048 CD1 LEU A 104 13.170 16.959 4.863 1.00 30.17 C ATOM 1049 CD2 LEU A 104 12.187 14.989 6.067 1.00 27.92 C ATOM 1050 H LEU A 104 12.743 13.062 1.804 1.00 0.00 H ATOM 1051 N PHE A 105 10.739 16.427 1.616 1.00 24.54 N ATOM 1052 CA PHE A 105 10.683 17.628 0.764 1.00 25.02 C ATOM 1053 C PHE A 105 10.430 18.901 1.557 1.00 28.87 C ATOM 1054 O PHE A 105 9.751 18.883 2.602 1.00 30.49 O ATOM 1055 CB PHE A 105 9.621 17.484 -0.306 1.00 27.14 C ATOM 1056 CG PHE A 105 8.220 17.284 0.227 1.00 29.15 C ATOM 1057 CD1 PHE A 105 7.409 18.375 0.518 1.00 30.04 C ATOM 1058 CD2 PHE A 105 7.708 16.011 0.396 1.00 23.88 C ATOM 1059 CE1 PHE A 105 6.096 18.198 0.995 1.00 38.67 C ATOM 1060 CE2 PHE A 105 6.402 15.809 0.884 1.00 32.60 C ATOM 1061 CZ PHE A 105 5.579 16.908 1.178 1.00 31.11 C ATOM 1062 H PHE A 105 9.860 15.943 1.891 1.00 0.00 H ATOM 1063 N LEU A 106 11.007 20.003 1.081 1.00 26.62 N ATOM 1064 CA LEU A 106 10.775 21.308 1.702 1.00 25.74 C ATOM 1065 C LEU A 106 9.992 22.178 0.718 1.00 27.54 C ATOM 1066 O LEU A 106 10.130 22.033 -0.516 1.00 26.63 O ATOM 1067 CB LEU A 106 12.097 21.979 2.086 1.00 34.17 C ATOM 1068 CG LEU A 106 13.189 21.136 2.777 1.00 30.09 C ATOM 1069 CD1 LEU A 106 14.518 21.898 2.835 1.00 26.42 C ATOM 1070 CD2 LEU A 106 12.759 20.775 4.185 1.00 26.77 C ATOM 1071 H LEU A 106 11.633 19.935 0.254 1.00 0.00 H ATOM 1072 N HIS A 107 9.181 23.071 1.262 1.00 26.06 N ATOM 1073 CA HIS A 107 8.518 24.101 0.476 1.00 32.86 C ATOM 1074 C HIS A 107 9.199 25.482 0.557 1.00 28.80 C ATOM 1075 O HIS A 107 9.745 25.878 1.598 1.00 28.20 O ATOM 1076 CB HIS A 107 7.059 24.215 0.909 1.00 34.43 C ATOM 1077 CG HIS A 107 6.195 23.123 0.371 1.00 43.43 C ATOM 1078 ND1 HIS A 107 4.891 22.944 0.773 1.00 42.53 N ATOM 1079 CD2 HIS A 107 6.457 22.136 -0.530 1.00 39.45 C ATOM 1080 CE1 HIS A 107 4.381 21.902 0.133 1.00 45.52 C ATOM 1081 NE2 HIS A 107 5.309 21.396 -0.661 1.00 40.11 N ATOM 1082 H HIS A 107 9.011 23.036 2.287 1.00 0.00 H ATOM 1083 N LEU A 108 9.126 26.216 -0.553 1.00 28.46 N ATOM 1084 CA LEU A 108 9.743 27.556 -0.659 1.00 35.74 C ATOM 1085 C LEU A 108 9.121 28.547 0.292 1.00 33.42 C ATOM 1086 O LEU A 108 7.931 28.473 0.592 1.00 31.74 O ATOM 1087 CB LEU A 108 9.612 28.120 -2.081 1.00 31.64 C ATOM 1088 CG LEU A 108 10.518 27.509 -3.159 1.00 38.84 C ATOM 1089 CD1 LEU A 108 9.976 27.808 -4.552 1.00 42.80 C ATOM 1090 CD2 LEU A 108 11.922 28.056 -3.045 1.00 25.01 C ATOM 1091 H LEU A 108 8.617 25.833 -1.375 1.00 0.00 H ATOM 1092 N GLU A 109 9.946 29.468 0.758 1.00 37.39 N ATOM 1093 CA GLU A 109 9.478 30.678 1.437 1.00 37.83 C ATOM 1094 C GLU A 109 8.221 31.223 0.793 1.00 34.57 C ATOM 1095 O GLU A 109 8.141 31.328 -0.438 1.00 34.17 O ATOM 1096 CB GLU A 109 10.567 31.748 1.418 1.00 36.69 C ATOM 1097 CG GLU A 109 10.180 33.055 2.072 1.00 41.50 C ATOM 1098 CD GLU A 109 11.258 34.148 1.941 1.00 46.96 C ATOM 1099 OE1 GLU A 109 12.467 33.832 1.966 1.00 39.01 O ATOM 1100 OE2 GLU A 109 10.886 35.334 1.823 1.00 49.04 O ATOM 1101 H GLU A 109 10.969 29.328 0.638 1.00 0.00 H ATOM 1102 N GLY A 110 7.223 31.535 1.617 1.00 34.51 N ATOM 1103 CA GLY A 110 5.982 32.077 1.096 1.00 41.38 C ATOM 1104 C GLY A 110 4.852 31.064 1.097 1.00 46.19 C ATOM 1105 O GLY A 110 3.688 31.446 1.145 1.00 48.01 O ATOM 1106 H GLY A 110 7.334 31.389 2.641 1.00 0.00 H ATOM 1107 N HIS A 111 5.192 29.779 1.031 1.00 44.99 N ATOM 1108 CA HIS A 111 4.196 28.712 1.131 1.00 43.25 C ATOM 1109 C HIS A 111 4.057 28.249 2.565 1.00 40.93 C ATOM 1110 O HIS A 111 4.987 28.365 3.372 1.00 41.52 O ATOM 1111 CB HIS A 111 4.565 27.526 0.260 1.00 40.49 C ATOM 1112 CG HIS A 111 4.712 27.869 -1.187 1.00 48.23 C ATOM 1113 ND1 HIS A 111 3.630 28.052 -2.020 1.00 49.23 N ATOM 1114 CD2 HIS A 111 5.815 28.048 -1.958 1.00 49.88 C ATOM 1115 CE1 HIS A 111 4.056 28.339 -3.238 1.00 53.60 C ATOM 1116 NE2 HIS A 111 5.379 28.342 -3.229 1.00 55.13 N ATOM 1117 H HIS A 111 6.193 29.526 0.905 1.00 0.00 H ATOM 1118 N PRO A 112 2.874 27.735 2.897 1.00 42.67 N ATOM 1119 CA PRO A 112 2.646 27.225 4.248 1.00 44.73 C ATOM 1120 C PRO A 112 3.655 26.158 4.627 1.00 42.90 C ATOM 1121 O PRO A 112 4.236 25.515 3.754 1.00 41.33 O ATOM 1122 CB PRO A 112 1.240 26.645 4.173 1.00 51.62 C ATOM 1123 CG PRO A 112 0.835 26.706 2.708 1.00 47.14 C ATOM 1124 CD PRO A 112 1.660 27.711 2.063 1.00 37.51 C ATOM 1125 N PRO A 113 3.894 25.991 5.920 1.00 43.52 N ATOM 1126 CA PRO A 113 4.851 24.949 6.304 1.00 47.81 C ATOM 1127 C PRO A 113 4.383 23.567 5.843 1.00 37.66 C ATOM 1128 O PRO A 113 3.199 23.352 5.623 1.00 35.33 O ATOM 1129 CB PRO A 113 4.915 25.059 7.838 1.00 41.97 C ATOM 1130 CG PRO A 113 3.803 25.956 8.228 1.00 41.23 C ATOM 1131 CD PRO A 113 3.455 26.805 7.059 1.00 41.70 C ATOM 1132 N VAL A 114 5.331 22.676 5.609 1.00 34.69 N ATOM 1133 CA VAL A 114 5.005 21.307 5.246 1.00 38.48 C ATOM 1134 C VAL A 114 4.528 20.579 6.496 1.00 36.95 C ATOM 1135 O VAL A 114 5.165 20.638 7.553 1.00 35.21 O ATOM 1136 CB VAL A 114 6.223 20.564 4.620 1.00 31.89 C ATOM 1137 CG1 VAL A 114 5.939 19.044 4.384 1.00 29.10 C ATOM 1138 CG2 VAL A 114 6.661 21.263 3.313 1.00 34.59 C ATOM 1139 H VAL A 114 6.329 22.960 5.686 1.00 0.00 H ATOM 1140 N ASN A 115 3.398 19.895 6.368 1.00 36.31 N ATOM 1141 CA ASN A 115 2.987 18.899 7.370 1.00 42.47 C ATOM 1142 C ASN A 115 2.523 17.662 6.606 1.00 39.12 C ATOM 1143 O ASN A 115 1.430 17.642 6.068 1.00 30.99 O ATOM 1144 CB ASN A 115 1.881 19.454 8.269 1.00 48.88 C ATOM 1145 CG ASN A 115 1.631 18.594 9.497 1.00 49.01 C ATOM 1146 OD1 ASN A 115 2.371 17.665 9.776 1.00 53.06 O ATOM 1147 ND2 ASN A 115 0.602 18.929 10.253 1.00 56.68 N ATOM 1148 HD22 ASN A 115 -0.005 19.728 9.980 1.00 0.00 H ATOM 1149 HD21 ASN A 115 0.399 18.394 11.121 1.00 0.00 H ATOM 1150 H ASN A 115 2.790 20.067 5.542 1.00 0.00 H ATOM 1151 N HIS A 116 3.383 16.657 6.492 1.00 34.19 N ATOM 1152 CA HIS A 116 3.087 15.554 5.593 1.00 32.76 C ATOM 1153 C HIS A 116 2.930 14.260 6.382 1.00 31.46 C ATOM 1154 O HIS A 116 3.643 14.006 7.370 1.00 24.82 O ATOM 1155 CB HIS A 116 4.183 15.390 4.522 1.00 29.76 C ATOM 1156 CG HIS A 116 3.889 14.316 3.512 1.00 28.19 C ATOM 1157 ND1 HIS A 116 2.970 14.478 2.495 1.00 31.78 N ATOM 1158 CD2 HIS A 116 4.376 13.062 3.380 1.00 33.44 C ATOM 1159 CE1 HIS A 116 2.927 13.383 1.765 1.00 33.30 C ATOM 1160 NE2 HIS A 116 3.755 12.496 2.287 1.00 32.41 N ATOM 1161 H HIS A 116 4.265 16.659 7.044 1.00 0.00 H ATOM 1162 N LEU A 117 2.004 13.437 5.899 1.00 28.23 N ATOM 1163 CA LEU A 117 1.702 12.180 6.544 1.00 31.25 C ATOM 1164 C LEU A 117 1.613 11.089 5.529 1.00 27.29 C ATOM 1165 O LEU A 117 1.003 11.234 4.472 1.00 30.50 O ATOM 1166 CB LEU A 117 0.403 12.268 7.348 1.00 35.12 C ATOM 1167 CG LEU A 117 0.254 11.126 8.361 1.00 44.57 C ATOM 1168 CD1 LEU A 117 1.286 11.263 9.488 1.00 44.08 C ATOM 1169 CD2 LEU A 117 -1.170 11.065 8.920 1.00 42.28 C ATOM 1170 H LEU A 117 1.486 13.704 5.038 1.00 0.00 H ATOM 1171 N ARG A 118 2.305 9.997 5.834 1.00 31.82 N ATOM 1172 CA ARG A 118 2.382 8.858 4.950 1.00 30.32 C ATOM 1173 C ARG A 118 2.068 7.574 5.750 1.00 38.45 C ATOM 1174 O ARG A 118 2.839 7.168 6.630 1.00 26.88 O ATOM 1175 CB ARG A 118 3.763 8.771 4.317 1.00 32.07 C ATOM 1176 CG ARG A 118 4.002 7.482 3.507 1.00 30.78 C ATOM 1177 CD ARG A 118 5.414 7.413 3.022 1.00 30.75 C ATOM 1178 NE ARG A 118 5.795 6.108 2.501 1.00 29.05 N ATOM 1179 CZ ARG A 118 6.989 5.825 1.995 1.00 30.23 C ATOM 1180 NH1 ARG A 118 7.936 6.759 1.959 1.00 28.91 N ATOM 1181 NH2 ARG A 118 7.255 4.599 1.544 1.00 33.63 N ATOM 1182 HE ARG A 118 5.085 5.348 2.527 1.00 0.00 H ATOM 1183 HH12 ARG A 118 8.871 6.536 1.562 1.00 0.00 H ATOM 1184 HH11 ARG A 118 7.741 7.712 2.328 1.00 0.00 H ATOM 1185 HH22 ARG A 118 8.192 4.382 1.148 1.00 0.00 H ATOM 1186 HH21 ARG A 118 6.525 3.859 1.588 1.00 0.00 H ATOM 1187 H ARG A 118 2.810 9.961 6.743 1.00 0.00 H ATOM 1188 N CYS A 119 0.963 6.922 5.404 1.00 33.75 N ATOM 1189 CA CYS A 119 0.514 5.728 6.133 1.00 38.22 C ATOM 1190 C CYS A 119 1.027 4.488 5.453 1.00 34.70 C ATOM 1191 O CYS A 119 1.037 4.404 4.248 1.00 35.21 O ATOM 1192 CB CYS A 119 -1.017 5.700 6.237 1.00 34.92 C ATOM 1193 SG CYS A 119 -1.653 7.120 7.176 1.00 50.55 S ATOM 1194 H CYS A 119 0.403 7.265 4.598 1.00 0.00 H ATOM 1195 N GLU A 120 1.541 3.559 6.244 1.00 38.72 N ATOM 1196 CA GLU A 120 2.051 2.286 5.725 1.00 36.00 C ATOM 1197 C GLU A 120 1.424 1.133 6.520 1.00 33.48 C ATOM 1198 O GLU A 120 1.257 1.213 7.743 1.00 32.38 O ATOM 1199 CB GLU A 120 3.573 2.243 5.825 1.00 31.36 C ATOM 1200 CG GLU A 120 4.287 3.197 4.889 1.00 39.65 C ATOM 1201 CD GLU A 120 4.191 2.802 3.427 1.00 43.44 C ATOM 1202 OE1 GLU A 120 3.979 1.601 3.140 1.00 43.52 O ATOM 1203 OE2 GLU A 120 4.328 3.701 2.558 1.00 35.55 O ATOM 1204 H GLU A 120 1.584 3.738 7.268 1.00 0.00 H ATOM 1205 N LYS A 121 1.037 0.084 5.823 1.00 41.28 N ATOM 1206 CA LYS A 121 0.533 -1.123 6.472 1.00 39.51 C ATOM 1207 C LYS A 121 1.574 -2.225 6.371 1.00 38.82 C ATOM 1208 O LYS A 121 2.057 -2.531 5.277 1.00 34.53 O ATOM 1209 CB LYS A 121 -0.774 -1.593 5.832 1.00 39.53 C ATOM 1210 CG LYS A 121 -2.005 -0.934 6.390 1.00 54.60 C ATOM 1211 CD LYS A 121 -3.228 -1.208 5.501 1.00 70.17 C ATOM 1212 CE LYS A 121 -4.467 -0.430 5.943 1.00 75.30 C ATOM 1213 NZ LYS A 121 -5.395 -0.167 4.798 1.00 72.53 N ATOM 1214 HZ1 LYS A 121 -4.900 0.390 4.073 1.00 0.00 H ATOM 1215 HZ2 LYS A 121 -5.705 -1.072 4.390 1.00 0.00 H ATOM 1216 HZ3 LYS A 121 -6.223 0.363 5.139 1.00 0.00 H ATOM 1217 H LYS A 121 1.092 0.116 4.785 1.00 0.00 H ATOM 1218 N LEU A 122 1.913 -2.822 7.507 1.00 32.50 N ATOM 1219 CA LEU A 122 2.775 -4.001 7.505 1.00 38.79 C ATOM 1220 C LEU A 122 1.993 -5.281 7.761 1.00 40.45 C ATOM 1221 O LEU A 122 1.192 -5.339 8.706 1.00 34.22 O ATOM 1222 CB LEU A 122 3.828 -3.871 8.569 1.00 40.72 C ATOM 1223 CG LEU A 122 4.720 -2.653 8.513 1.00 35.14 C ATOM 1224 CD1 LEU A 122 5.533 -2.607 9.784 1.00 40.23 C ATOM 1225 CD2 LEU A 122 5.575 -2.812 7.300 1.00 40.77 C ATOM 1226 H LEU A 122 1.560 -2.445 8.410 1.00 0.00 H ATOM 1227 N THR A 123 2.272 -6.314 6.976 1.00 34.73 N ATOM 1228 CA THR A 123 1.592 -7.586 7.146 1.00 37.71 C ATOM 1229 C THR A 123 2.591 -8.693 7.486 1.00 34.81 C ATOM 1230 O THR A 123 3.570 -8.894 6.795 1.00 37.94 O ATOM 1231 CB THR A 123 0.773 -7.968 5.867 1.00 43.35 C ATOM 1232 OG1 THR A 123 -0.222 -6.964 5.597 1.00 42.23 O ATOM 1233 CG2 THR A 123 0.078 -9.301 6.067 1.00 39.89 C ATOM 1234 HG1 THR A 123 0.222 -6.092 5.450 1.00 0.00 H ATOM 1235 H THR A 123 2.988 -6.211 6.228 1.00 0.00 H ATOM 1236 N PHE A 124 2.319 -9.402 8.573 1.00 31.32 N ATOM 1237 CA PHE A 124 3.128 -10.527 9.004 1.00 33.41 C ATOM 1238 C PHE A 124 2.301 -11.807 8.987 1.00 35.47 C ATOM 1239 O PHE A 124 1.347 -11.945 9.751 1.00 32.63 O ATOM 1240 CB PHE A 124 3.670 -10.306 10.419 1.00 30.66 C ATOM 1241 CG PHE A 124 4.513 -9.070 10.574 1.00 32.09 C ATOM 1242 CD1 PHE A 124 5.871 -9.107 10.335 1.00 36.56 C ATOM 1243 CD2 PHE A 124 3.950 -7.876 10.975 1.00 33.72 C ATOM 1244 CE1 PHE A 124 6.661 -7.967 10.487 1.00 34.85 C ATOM 1245 CE2 PHE A 124 4.741 -6.745 11.126 1.00 37.28 C ATOM 1246 CZ PHE A 124 6.099 -6.803 10.869 1.00 29.03 C ATOM 1247 H PHE A 124 1.489 -9.140 9.142 1.00 0.00 H ATOM 1248 N ASN A 125 2.678 -12.735 8.123 1.00 37.31 N ATOM 1249 CA ASN A 125 2.042 -14.048 8.057 1.00 39.01 C ATOM 1250 C ASN A 125 2.685 -15.007 9.035 1.00 38.45 C ATOM 1251 O ASN A 125 3.911 -15.108 9.092 1.00 38.49 O ATOM 1252 CB ASN A 125 2.119 -14.625 6.643 1.00 37.12 C ATOM 1253 CG ASN A 125 1.460 -13.735 5.637 1.00 42.19 C ATOM 1254 OD1 ASN A 125 0.426 -13.130 5.915 1.00 40.26 O ATOM 1255 ND2 ASN A 125 2.063 -13.622 4.463 1.00 63.49 N ATOM 1256 HD22 ASN A 125 2.936 -14.154 4.274 1.00 0.00 H ATOM 1257 HD21 ASN A 125 1.663 -13.001 3.731 1.00 0.00 H ATOM 1258 H ASN A 125 3.456 -12.522 7.467 1.00 0.00 H ATOM 1259 N ASN A 126 1.844 -15.659 9.835 1.00 37.37 N ATOM 1260 CA ASN A 126 2.277 -16.670 10.776 1.00 34.20 C ATOM 1261 C ASN A 126 3.497 -16.322 11.543 1.00 36.88 C ATOM 1262 O ASN A 126 4.442 -17.109 11.538 1.00 35.96 O ATOM 1263 CB ASN A 126 2.538 -17.960 10.036 1.00 35.47 C ATOM 1264 CG ASN A 126 1.286 -18.536 9.482 1.00 44.35 C ATOM 1265 OD1 ASN A 126 0.296 -18.692 10.204 1.00 47.84 O ATOM 1266 ND2 ASN A 126 1.286 -18.821 8.194 1.00 49.32 N ATOM 1267 HD22 ASN A 126 2.146 -18.672 7.628 1.00 0.00 H ATOM 1268 HD21 ASN A 126 0.426 -19.195 7.744 1.00 0.00 H ATOM 1269 H ASN A 126 0.831 -15.432 9.781 1.00 0.00 H ATOM 1270 N PRO A 127 3.504 -15.138 12.188 1.00 35.49 N ATOM 1271 CA PRO A 127 4.629 -14.840 13.070 1.00 31.10 C ATOM 1272 C PRO A 127 4.763 -15.884 14.180 1.00 34.63 C ATOM 1273 O PRO A 127 3.823 -16.621 14.435 1.00 36.06 O ATOM 1274 CB PRO A 127 4.271 -13.470 13.659 1.00 29.98 C ATOM 1275 CG PRO A 127 2.777 -13.409 13.562 1.00 31.31 C ATOM 1276 CD PRO A 127 2.456 -14.097 12.265 1.00 30.71 C ATOM 1277 N THR A 128 5.921 -15.918 14.826 1.00 37.07 N ATOM 1278 CA THR A 128 6.138 -16.721 16.006 1.00 39.01 C ATOM 1279 C THR A 128 5.220 -16.213 17.067 1.00 38.15 C ATOM 1280 O THR A 128 4.765 -15.070 16.992 1.00 37.02 O ATOM 1281 CB THR A 128 7.589 -16.625 16.543 1.00 34.93 C ATOM 1282 OG1 THR A 128 7.818 -15.281 16.986 1.00 35.76 O ATOM 1283 CG2 THR A 128 8.561 -16.986 15.501 1.00 32.64 C ATOM 1284 HG1 THR A 128 8.742 -15.202 17.333 1.00 0.00 H ATOM 1285 H THR A 128 6.708 -15.340 14.466 1.00 0.00 H ATOM 1286 N GLU A 129 4.980 -17.048 18.073 1.00 34.00 N ATOM 1287 CA GLU A 129 4.092 -16.684 19.164 1.00 42.04 C ATOM 1288 C GLU A 129 4.674 -15.512 19.932 1.00 38.27 C ATOM 1289 O GLU A 129 3.944 -14.640 20.390 1.00 40.88 O ATOM 1290 CB GLU A 129 3.853 -17.882 20.116 1.00 41.97 C ATOM 1291 CG GLU A 129 2.729 -17.641 21.154 1.00 61.91 C ATOM 1292 CD GLU A 129 2.242 -18.912 21.911 1.00 70.23 C ATOM 1293 OE1 GLU A 129 2.119 -20.020 21.316 1.00 56.68 O ATOM 1294 OE2 GLU A 129 1.951 -18.771 23.118 1.00 66.34 O ATOM 1295 H GLU A 129 5.438 -17.982 18.079 1.00 0.00 H ATOM 1296 N ASP A 130 5.990 -15.508 20.097 1.00 37.95 N ATOM 1297 CA ASP A 130 6.678 -14.394 20.742 1.00 44.68 C ATOM 1298 C ASP A 130 6.433 -13.073 19.986 1.00 37.90 C ATOM 1299 O ASP A 130 6.073 -12.054 20.605 1.00 39.82 O ATOM 1300 CB ASP A 130 8.194 -14.663 20.834 1.00 51.34 C ATOM 1301 CG ASP A 130 8.615 -15.366 22.135 1.00 65.00 C ATOM 1302 OD1 ASP A 130 7.747 -15.869 22.886 1.00 59.49 O ATOM 1303 OD2 ASP A 130 9.844 -15.416 22.399 1.00 77.41 O ATOM 1304 H ASP A 130 6.546 -16.319 19.758 1.00 0.00 H ATOM 1305 N PHE A 131 6.638 -13.084 18.667 1.00 36.03 N ATOM 1306 CA PHE A 131 6.493 -11.853 17.893 1.00 39.75 C ATOM 1307 C PHE A 131 5.033 -11.458 17.781 1.00 36.95 C ATOM 1308 O PHE A 131 4.676 -10.277 17.930 1.00 32.03 O ATOM 1309 CB PHE A 131 7.111 -11.978 16.501 1.00 36.74 C ATOM 1310 CG PHE A 131 7.252 -10.639 15.786 1.00 35.66 C ATOM 1311 CD1 PHE A 131 7.696 -9.506 16.484 1.00 35.98 C ATOM 1312 CD2 PHE A 131 6.951 -10.514 14.440 1.00 34.83 C ATOM 1313 CE1 PHE A 131 7.835 -8.276 15.858 1.00 37.87 C ATOM 1314 CE2 PHE A 131 7.071 -9.270 13.798 1.00 35.88 C ATOM 1315 CZ PHE A 131 7.514 -8.153 14.510 1.00 35.99 C ATOM 1316 H PHE A 131 6.901 -13.970 18.190 1.00 0.00 H ATOM 1317 N ARG A 132 4.181 -12.458 17.590 1.00 35.14 N ATOM 1318 CA ARG A 132 2.749 -12.210 17.535 1.00 31.87 C ATOM 1319 C ARG A 132 2.267 -11.510 18.793 1.00 36.08 C ATOM 1320 O ARG A 132 1.483 -10.541 18.707 1.00 28.65 O ATOM 1321 CB ARG A 132 1.967 -13.519 17.340 1.00 33.59 C ATOM 1322 CG ARG A 132 0.444 -13.302 17.181 1.00 34.28 C ATOM 1323 CD ARG A 132 -0.319 -14.618 16.972 1.00 37.16 C ATOM 1324 NE ARG A 132 -0.383 -15.416 18.193 1.00 38.75 N ATOM 1325 CZ ARG A 132 -0.005 -16.692 18.294 1.00 41.15 C ATOM 1326 NH1 ARG A 132 0.472 -17.351 17.253 1.00 32.22 N ATOM 1327 NH2 ARG A 132 -0.123 -17.317 19.453 1.00 41.80 N ATOM 1328 HE ARG A 132 -0.751 -14.955 19.049 1.00 0.00 H ATOM 1329 HH12 ARG A 132 0.761 -18.345 17.355 1.00 0.00 H ATOM 1330 HH11 ARG A 132 0.559 -16.876 16.332 1.00 0.00 H ATOM 1331 HH22 ARG A 132 0.169 -18.311 19.540 1.00 0.00 H ATOM 1332 HH21 ARG A 132 -0.508 -16.814 20.278 1.00 0.00 H ATOM 1333 H ARG A 132 4.541 -13.427 17.479 1.00 0.00 H ATOM 1334 N ARG A 133 2.720 -11.988 19.956 1.00 32.81 N ATOM 1335 CA ARG A 133 2.328 -11.363 21.211 1.00 33.73 C ATOM 1336 C ARG A 133 2.709 -9.864 21.205 1.00 34.44 C ATOM 1337 O ARG A 133 1.946 -8.988 21.674 1.00 29.31 O ATOM 1338 CB ARG A 133 2.970 -12.097 22.399 1.00 31.23 C ATOM 1339 CG ARG A 133 2.579 -11.540 23.788 1.00 43.97 C ATOM 1340 CD ARG A 133 3.251 -12.297 24.959 1.00 45.42 C ATOM 1341 NE ARG A 133 3.001 -13.744 24.910 1.00 44.30 N ATOM 1342 CZ ARG A 133 3.880 -14.653 24.508 1.00 39.67 C ATOM 1343 NH1 ARG A 133 5.104 -14.297 24.120 1.00 39.36 N ATOM 1344 NH2 ARG A 133 3.540 -15.927 24.506 1.00 45.82 N ATOM 1345 HE ARG A 133 2.065 -14.081 25.213 1.00 0.00 H ATOM 1346 HH12 ARG A 133 5.782 -15.021 23.808 1.00 0.00 H ATOM 1347 HH11 ARG A 133 5.382 -13.295 24.130 1.00 0.00 H ATOM 1348 HH22 ARG A 133 4.222 -16.647 24.193 1.00 0.00 H ATOM 1349 HH21 ARG A 133 2.590 -16.212 24.818 1.00 0.00 H ATOM 1350 H ARG A 133 3.356 -12.811 19.964 1.00 0.00 H ATOM 1351 N LYS A 134 3.883 -9.558 20.666 1.00 34.26 N ATOM 1352 CA LYS A 134 4.336 -8.162 20.655 1.00 38.08 C ATOM 1353 C LYS A 134 3.503 -7.336 19.685 1.00 33.58 C ATOM 1354 O LYS A 134 3.071 -6.232 20.017 1.00 33.84 O ATOM 1355 CB LYS A 134 5.830 -8.070 20.305 1.00 33.91 C ATOM 1356 CG LYS A 134 6.732 -8.634 21.390 1.00 35.86 C ATOM 1357 CD LYS A 134 8.176 -8.671 20.982 1.00 38.51 C ATOM 1358 CE LYS A 134 9.065 -9.254 22.096 1.00 38.63 C ATOM 1359 NZ LYS A 134 8.869 -8.514 23.397 1.00 53.49 N ATOM 1360 HZ1 LYS A 134 9.116 -7.512 23.265 1.00 0.00 H ATOM 1361 HZ2 LYS A 134 7.875 -8.591 23.692 1.00 0.00 H ATOM 1362 HZ3 LYS A 134 9.482 -8.931 24.127 1.00 0.00 H ATOM 1363 H LYS A 134 4.479 -10.304 20.254 1.00 0.00 H ATOM 1364 N LEU A 135 3.260 -7.870 18.489 1.00 30.57 N ATOM 1365 CA LEU A 135 2.520 -7.113 17.496 1.00 31.74 C ATOM 1366 C LEU A 135 1.141 -6.735 18.023 1.00 35.12 C ATOM 1367 O LEU A 135 0.672 -5.607 17.835 1.00 28.55 O ATOM 1368 CB LEU A 135 2.384 -7.905 16.207 1.00 27.58 C ATOM 1369 CG LEU A 135 3.672 -8.108 15.454 1.00 35.12 C ATOM 1370 CD1 LEU A 135 3.513 -9.248 14.453 1.00 25.38 C ATOM 1371 CD2 LEU A 135 4.056 -6.816 14.742 1.00 33.10 C ATOM 1372 H LEU A 135 3.600 -8.828 18.267 1.00 0.00 H ATOM 1373 N LEU A 136 0.493 -7.675 18.701 1.00 32.90 N ATOM 1374 CA LEU A 136 -0.886 -7.475 19.079 1.00 38.74 C ATOM 1375 C LEU A 136 -1.036 -6.640 20.344 1.00 38.99 C ATOM 1376 O LEU A 136 -2.143 -6.282 20.710 1.00 38.25 O ATOM 1377 CB LEU A 136 -1.592 -8.823 19.235 1.00 37.72 C ATOM 1378 CG LEU A 136 -1.699 -9.533 17.893 1.00 39.80 C ATOM 1379 CD1 LEU A 136 -2.257 -10.901 18.054 1.00 35.01 C ATOM 1380 CD2 LEU A 136 -2.545 -8.739 16.954 1.00 42.42 C ATOM 1381 H LEU A 136 0.980 -8.557 18.960 1.00 0.00 H ATOM 1382 N LYS A 137 0.065 -6.303 20.998 1.00 41.53 N ATOM 1383 CA LYS A 137 0.006 -5.278 22.048 1.00 47.85 C ATOM 1384 C LYS A 137 -0.112 -3.863 21.453 1.00 47.86 C ATOM 1385 O LYS A 137 -0.666 -2.975 22.091 1.00 51.51 O ATOM 1386 CB LYS A 137 1.237 -5.353 22.951 1.00 43.93 C ATOM 1387 CG LYS A 137 1.167 -6.412 24.038 1.00 42.38 C ATOM 1388 CD LYS A 137 2.502 -6.454 24.782 1.00 54.31 C ATOM 1389 CE LYS A 137 2.595 -7.566 25.827 1.00 55.74 C ATOM 1390 NZ LYS A 137 4.038 -7.772 26.223 1.00 56.54 N ATOM 1391 HZ1 LYS A 137 4.592 -8.039 25.384 1.00 0.00 H ATOM 1392 HZ2 LYS A 137 4.416 -6.889 26.623 1.00 0.00 H ATOM 1393 HZ3 LYS A 137 4.096 -8.529 26.934 1.00 0.00 H ATOM 1394 H LYS A 137 0.969 -6.763 20.769 1.00 0.00 H ATOM 1395 N ALA A 138 0.395 -3.670 20.228 1.00 45.03 N ATOM 1396 CA ALA A 138 0.350 -2.370 19.552 1.00 45.62 C ATOM 1397 C ALA A 138 -1.020 -1.982 19.009 1.00 52.81 C ATOM 1398 O ALA A 138 -1.833 -2.823 18.640 1.00 49.10 O ATOM 1399 CB ALA A 138 1.336 -2.343 18.425 1.00 47.01 C ATOM 1400 OXT ALA A 138 -1.336 -0.787 18.903 1.00 59.18 O ATOM 1401 H ALA A 138 0.838 -4.473 19.738 1.00 0.00 H TER 1402 ALA A 138 HETATM 1403 O HOH 1 16.852 26.621 0.792 1.00 30.96 O HETATM 1404 O HOH 2 11.971 3.879 -3.473 1.00 29.46 O HETATM 1405 O HOH 3 9.668 3.501 0.272 1.00 29.76 O HETATM 1406 O HOH 4 6.452 -11.990 23.452 1.00 36.42 O HETATM 1407 O HOH 5 15.357 1.941 1.240 1.00 40.81 O HETATM 1408 O HOH 6 15.419 5.733 -3.832 1.00 38.26 O HETATM 1409 O HOH 7 13.884 33.815 4.464 1.00 47.23 O HETATM 1410 O HOH 8 18.370 12.580 -2.357 1.00 35.30 O HETATM 1411 O HOH 9 8.380 -5.437 23.784 1.00 45.70 O HETATM 1412 O HOH 10 15.636 1.962 3.939 1.00 40.07 O HETATM 1413 O HOH 11 12.935 28.989 0.521 1.00 29.71 O HETATM 1414 O HOH 12 5.714 -18.116 24.104 1.00 48.88 O HETATM 1415 O HOH 13 18.618 1.811 4.406 1.00 36.73 O HETATM 1416 O HOH 14 20.601 -3.584 -0.689 1.00 49.53 O HETATM 1417 O HOH 15 21.045 4.317 3.201 1.00 46.87 O HETATM 1418 O HOH 16 23.397 26.976 1.090 1.00 54.75 O HETATM 1419 O HOH 17 5.962 12.547 -0.762 1.00 42.29 O HETATM 1420 O HOH 18 -0.611 -15.231 25.499 1.00 48.21 O HETATM 1421 O HOH 19 15.788 32.257 4.413 1.00 44.38 O HETATM 1422 O HOH 20 12.133 0.605 20.420 1.00 32.59 O HETATM 1423 O HOH 21 7.732 9.715 1.265 1.00 28.69 O HETATM 1424 O HOH 22 7.209 12.442 1.857 1.00 31.28 O HETATM 1425 O HOH 23 9.492 15.179 -4.295 1.00 37.46 O HETATM 1426 O HOH 24 8.841 24.182 4.120 1.00 33.42 O HETATM 1427 O HOH 25 12.586 19.998 -1.281 1.00 26.48 O HETATM 1428 O HOH 26 19.688 10.155 2.659 1.00 32.43 O HETATM 1429 O HOH 27 1.144 -16.542 14.334 1.00 33.22 O HETATM 1430 O HOH 28 -1.963 -16.908 21.532 1.00 34.59 O HETATM 1431 O HOH 29 22.081 20.876 10.412 1.00 39.78 O HETATM 1432 O HOH 30 7.212 26.648 3.375 1.00 38.67 O HETATM 1433 O HOH 31 23.832 11.060 0.922 1.00 40.31 O HETATM 1434 O HOH 32 -0.109 14.426 4.283 1.00 39.13 O HETATM 1435 O HOH 33 7.555 7.853 17.343 1.00 30.45 O HETATM 1436 O HOH 34 -0.528 -9.797 22.589 1.00 34.66 O HETATM 1437 O HOH 35 0.259 -18.686 12.775 1.00 37.05 O HETATM 1438 O HOH 36 7.625 27.614 6.067 1.00 43.90 O HETATM 1439 O HOH 37 15.387 30.830 6.347 1.00 39.17 O HETATM 1440 O HOH 38 3.017 15.202 9.537 1.00 35.74 O HETATM 1441 O HOH 39 7.437 9.320 -1.210 1.00 38.51 O HETATM 1442 O HOH 40 20.586 -5.437 8.886 1.00 42.63 O HETATM 1443 O HOH 41 6.106 5.974 18.980 1.00 42.75 O HETATM 1444 O HOH 42 10.067 8.108 -1.623 1.00 37.76 O HETATM 1445 O HOH 43 9.666 24.536 13.071 1.00 53.34 O HETATM 1446 O HOH 44 -0.134 9.458 16.691 1.00 50.90 O HETATM 1447 O HOH 45 3.094 4.827 0.389 1.00 46.99 O HETATM 1448 O HOH 46 23.036 8.230 4.756 1.00 47.18 O HETATM 1449 O HOH 47 7.768 -14.040 13.596 1.00 35.50 O HETATM 1450 O HOH 48 -4.449 -9.266 8.934 1.00 43.72 O HETATM 1451 O HOH 49 16.793 6.914 21.386 1.00 47.95 O HETATM 1452 O HOH 50 5.589 3.829 20.385 1.00 43.57 O HETATM 1453 O HOH 51 23.376 6.598 6.761 1.00 42.47 O HETATM 1454 O HOH 52 1.080 -4.803 4.229 1.00 41.13 O HETATM 1455 O HOH 53 9.482 22.251 11.842 1.00 43.90 O HETATM 1456 O HOH 54 19.334 13.165 15.440 1.00 43.90 O HETATM 1457 O HOH 55 13.892 21.174 13.536 1.00 41.61 O HETATM 1458 O HOH 56 17.492 14.724 16.434 1.00 42.52 O HETATM 1459 O HOH 57 14.580 -9.040 7.148 1.00 48.39 O HETATM 1460 O HOH 58 22.095 22.689 12.517 1.00 45.18 O HETATM 1461 O HOH 59 19.120 5.773 20.734 1.00 47.00 O HETATM 1462 O HOH 60 14.712 8.629 20.847 1.00 47.15 O HETATM 1463 O HOH 61 4.498 21.904 10.053 1.00 42.42 O HETATM 1464 O HOH 62 2.392 8.898 18.568 1.00 49.15 O HETATM 1465 O HOH 63 9.643 -11.906 19.287 1.00 34.46 O HETATM 1466 O HOH 64 0.769 0.194 3.167 1.00 38.19 O HETATM 1467 O HOH 65 -1.085 3.992 8.865 1.00 42.34 O HETATM 1468 O HOH 66 0.062 -16.214 23.465 1.00 53.63 O HETATM 1469 O HOH 67 0.798 -14.818 20.939 1.00 45.52 O HETATM 1470 O HOH 68 7.971 -17.780 19.589 1.00 48.31 O HETATM 1471 O HOH 69 6.286 -13.267 10.093 1.00 46.41 O HETATM 1472 O HOH 70 6.461 -8.479 6.639 1.00 53.13 O HETATM 1473 O HOH 71 14.981 31.512 12.810 1.00 50.10 O HETATM 1474 O HOH 72 15.502 -0.861 21.847 1.00 50.32 O HETATM 1475 O HOH 73 10.208 -13.737 17.890 1.00 47.45 O HETATM 1476 O HOH 74 -2.173 2.398 7.214 1.00 44.91 O HETATM 1477 O HOH 75 6.893 2.957 24.370 1.00 45.67 O HETATM 1478 O HOH 76 -0.849 0.583 21.326 1.00 50.62 O HETATM 1479 O HOH 77 12.199 30.456 12.869 1.00 45.81 O HETATM 1480 O HOH 78 7.209 31.225 4.077 1.00 44.03 O HETATM 1481 O HOH 79 3.489 6.198 18.194 1.00 42.20 O HETATM 1482 O HOH 80 2.006 19.906 4.027 1.00 45.56 O HETATM 1483 O HOH 81 26.737 8.283 10.848 1.00 48.22 O HETATM 1484 O HOH 82 10.761 -16.794 18.836 1.00 47.61 O HETATM 1485 O HOH 83 -0.182 -20.493 16.949 1.00 48.85 O HETATM 1486 O HOH 84 21.358 8.609 1.561 1.00 45.36 O HETATM 1487 O HOH 85 21.956 -2.023 6.966 1.00 46.58 O HETATM 1488 O HOH 86 22.354 8.298 16.453 1.00 45.65 O HETATM 1489 O HOH 87 4.106 10.032 1.077 1.00 41.22 O HETATM 1490 O HOH 88 6.395 -6.071 6.232 1.00 42.91 O HETATM 1491 O HOH 89 0.504 6.502 2.032 1.00 43.03 O HETATM 1492 O HOH 90 -0.748 8.000 3.149 1.00 41.06 O HETATM 1493 O HOH 91 11.217 27.583 12.472 1.00 54.21 O HETATM 1494 O HOH 92 -3.368 -17.215 7.408 1.00 43.89 O HETATM 1495 O HOH 93 5.370 -12.149 6.759 1.00 48.70 O HETATM 1496 O HOH 94 12.574 20.412 -6.233 1.00 27.78 O HETATM 1497 O HOH 95 19.239 16.346 -7.016 1.00 46.37 O HETATM 1498 O HOH 96 16.523 20.409 -7.354 1.00 30.79 O HETATM 1499 O HOH 97 16.477 14.214 -4.008 1.00 40.20 O HETATM 1500 O HOH 98 10.580 21.246 -7.440 1.00 46.81 O HETATM 1501 O HOH 99 5.528 15.871 -3.108 1.00 53.34 O HETATM 1502 O HOH 100 17.541 19.717 4.385 1.00 26.50 O HETATM 1503 O HOH 101 23.123 17.361 -4.652 1.00 45.47 O HETATM 1504 O HOH 102 5.482 18.501 -2.929 1.00 47.89 O HETATM 1505 N THR A 103 5.976 24.655 -9.095 1.00 0.24 N HETATM 1506 CA THR A 103 6.219 23.795 -7.941 1.00 0.09 C HETATM 1507 C THR A 103 6.423 24.612 -6.658 1.00 0.23 C HETATM 1508 O THR A 103 6.988 25.714 -6.669 1.00 -0.39 O HETATM 1509 N THR A 103 5.945 24.056 -5.549 1.00 -0.26 N HETATM 1510 CA THR A 103 6.101 24.669 -4.246 1.00 0.13 C HETATM 1511 C THR A 103 7.464 24.347 -3.618 1.00 0.20 C HETATM 1512 O THR A 103 7.850 24.917 -2.591 1.00 -0.39 O HETATM 1513 N THR A 103 8.175 23.401 -4.210 1.00 -0.26 N HETATM 1514 CA THR A 103 9.325 22.800 -3.547 1.00 0.13 C HETATM 1515 C THR A 103 10.584 23.605 -3.733 1.00 0.20 C HETATM 1516 O THR A 103 10.783 24.247 -4.753 1.00 -0.39 O HETATM 1517 N THR A 103 11.429 23.538 -2.722 1.00 -0.26 N HETATM 1518 CA THR A 103 12.760 24.037 -2.797 1.00 0.16 C HETATM 1519 C THR A 103 13.576 23.149 -3.734 1.00 0.21 C HETATM 1520 O THR A 103 13.112 22.105 -4.222 1.00 -0.39 O HETATM 1521 N THR A 103 14.816 23.556 -3.952 1.00 -0.26 N HETATM 1522 CA THR A 103 15.783 22.708 -4.621 1.00 0.13 C HETATM 1523 C THR A 103 15.985 21.438 -3.816 1.00 0.20 C HETATM 1524 O THR A 103 15.710 21.421 -2.624 1.00 -0.39 O HETATM 1525 N THR A 103 16.540 20.410 -4.464 1.00 -0.26 N HETATM 1526 CA THR A 103 16.831 19.143 -3.810 1.00 0.13 C HETATM 1527 C THR A 103 18.292 18.867 -3.885 1.00 0.20 C HETATM 1528 O THR A 103 18.936 19.387 -4.759 1.00 -0.39 O HETATM 1529 N THR A 103 18.800 18.025 -2.989 1.00 -0.26 N HETATM 1530 CA THR A 103 20.181 17.575 -3.007 1.00 0.13 C HETATM 1531 CB THR A 103 21.063 17.833 -1.774 1.00 -0.01 C HETATM 1532 CG THR A 103 20.297 17.872 -0.487 1.00 -0.05 C HETATM 1533 CD THR A 103 21.184 18.417 0.606 1.00 -0.03 C HETATM 1534 CE THR A 103 20.500 18.426 1.959 1.00 0.03 C HETATM 1535 NZ THR A 103 21.316 18.867 3.059 1.00 -0.29 N HETATM 1536 CH THR A 103 20.957 19.926 3.850 1.00 0.17 C HETATM 1537 OH THR A 103 19.909 20.615 3.646 1.00 -0.40 O HETATM 1538 CH3 THR A 103 21.935 20.252 4.946 1.00 0.03 C HETATM 1539 H THR A 103 22.759 19.523 4.931 1.00 0.05 H HETATM 1540 H THR A 103 21.424 20.208 5.919 1.00 0.05 H HETATM 1541 H THR A 103 22.338 21.264 4.789 1.00 0.05 H HETATM 1542 H THR A 103 22.171 18.386 3.252 1.00 0.18 H HETATM 1543 H THR A 103 19.628 19.093 1.894 1.00 0.05 H HETATM 1544 H THR A 103 20.163 17.402 2.176 1.00 0.05 H HETATM 1545 H THR A 103 22.087 17.792 0.671 1.00 0.03 H HETATM 1546 H THR A 103 21.469 19.448 0.348 1.00 0.03 H HETATM 1547 H THR A 103 19.416 18.521 -0.603 1.00 0.03 H HETATM 1548 H THR A 103 19.971 16.855 -0.223 1.00 0.03 H HETATM 1549 H THR A 103 21.813 17.031 -1.708 1.00 0.03 H HETATM 1550 H THR A 103 21.571 18.800 -1.906 1.00 0.03 H HETATM 1551 C THR A 103 20.214 16.080 -3.215 1.00 0.20 C HETATM 1552 O THR A 103 19.218 15.365 -3.093 1.00 -0.39 O HETATM 1553 N THR A 103 21.380 15.549 -3.572 1.00 -0.26 N HETATM 1554 CA THR A 103 21.492 14.079 -3.684 1.00 0.15 C HETATM 1555 C THR A 103 22.904 13.535 -3.469 1.00 0.20 C HETATM 1556 O THR A 103 23.902 14.243 -3.655 1.00 -0.39 O HETATM 1557 N THR A 103 22.970 12.267 -3.060 1.00 -0.30 N HETATM 1558 H THR A 103 23.859 11.840 -2.897 1.00 0.18 H HETATM 1559 H THR A 103 22.130 11.744 -2.916 1.00 0.18 H HETATM 1560 CB THR A 103 20.964 13.603 -5.051 1.00 0.08 C HETATM 1561 OG THR A 103 21.268 14.547 -6.078 1.00 -0.39 O HETATM 1562 H THR A 103 20.864 15.381 -5.870 1.00 0.21 H HETATM 1563 H THR A 103 19.873 13.477 -4.990 1.00 0.06 H HETATM 1564 H THR A 103 21.431 12.639 -5.300 1.00 0.06 H HETATM 1565 H THR A 103 20.852 13.646 -2.901 1.00 0.08 H HETATM 1566 H THR A 103 22.168 16.134 -3.762 1.00 0.19 H HETATM 1567 H THR A 103 20.662 18.072 -3.863 1.00 0.08 H HETATM 1568 H THR A 103 18.200 17.684 -2.265 1.00 0.19 H HETATM 1569 CB THR A 103 16.053 18.009 -4.480 1.00 -0.01 C HETATM 1570 CG THR A 103 14.552 18.219 -4.364 1.00 -0.02 C HETATM 1571 CD THR A 103 13.792 17.102 -5.002 1.00 0.06 C HETATM 1572 NE THR A 103 13.982 15.848 -4.284 1.00 -0.27 N HETATM 1573 CZ THR A 103 13.216 15.413 -3.295 1.00 0.29 C HETATM 1574 NH1 THR A 103 12.186 16.143 -2.869 1.00 -0.28 N HETATM 1575 H THR A 103 11.594 15.799 -2.099 1.00 0.26 H HETATM 1576 H THR A 103 11.982 17.051 -3.309 1.00 0.26 H HETATM 1577 NH2 THR A 103 13.509 14.248 -2.709 1.00 -0.28 N HETATM 1578 H THR A 103 14.307 13.689 -3.044 1.00 0.26 H HETATM 1579 H THR A 103 12.937 13.909 -1.922 1.00 0.26 H HETATM 1580 H THR A 103 14.774 15.254 -4.568 1.00 0.26 H HETATM 1581 H THR A 103 14.142 16.977 -6.037 1.00 0.07 H HETATM 1582 H THR A 103 12.721 17.354 -5.004 1.00 0.07 H HETATM 1583 H THR A 103 14.284 19.163 -4.861 1.00 0.03 H HETATM 1584 H THR A 103 14.280 18.274 -3.300 1.00 0.03 H HETATM 1585 H THR A 103 16.319 17.058 -3.996 1.00 0.03 H HETATM 1586 H THR A 103 16.327 17.968 -5.545 1.00 0.03 H HETATM 1587 H THR A 103 16.530 19.207 -2.754 1.00 0.08 H HETATM 1588 H THR A 103 16.763 20.515 -5.433 1.00 0.19 H HETATM 1589 CB THR A 103 17.091 23.424 -4.769 1.00 -0.02 C HETATM 1590 H THR A 103 17.813 22.768 -5.278 1.00 0.03 H HETATM 1591 H THR A 103 17.477 23.692 -3.774 1.00 0.03 H HETATM 1592 H THR A 103 16.944 24.338 -5.364 1.00 0.03 H HETATM 1593 H THR A 103 15.402 22.447 -5.619 1.00 0.08 H HETATM 1594 H THR A 103 15.092 24.468 -3.649 1.00 0.19 H HETATM 1595 CB THR A 103 13.423 24.038 -1.407 1.00 0.09 C HETATM 1596 OG1 THR A 103 13.641 22.688 -0.979 1.00 -0.39 O HETATM 1597 H THR A 103 14.209 22.248 -1.601 1.00 0.21 H HETATM 1598 CG2 THR A 103 12.544 24.739 -0.398 1.00 -0.03 C HETATM 1599 H THR A 103 13.035 24.729 0.586 1.00 0.03 H HETATM 1600 H THR A 103 11.577 24.219 -0.331 1.00 0.03 H HETATM 1601 H THR A 103 12.380 25.779 -0.715 1.00 0.03 H HETATM 1602 H THR A 103 14.388 24.561 -1.470 1.00 0.06 H HETATM 1603 H THR A 103 12.739 25.065 -3.189 1.00 0.08 H HETATM 1604 H THR A 103 11.122 23.119 -1.867 1.00 0.19 H HETATM 1605 CB THR A 103 9.581 21.377 -4.064 1.00 0.00 C HETATM 1606 CG THR A 103 8.922 20.277 -3.257 1.00 0.04 C HETATM 1607 CD THR A 103 9.481 18.881 -3.603 1.00 0.17 C HETATM 1608 OE1 THR A 103 10.720 18.618 -3.637 1.00 -0.40 O HETATM 1609 NE2 THR A 103 8.571 17.995 -3.881 1.00 -0.30 N HETATM 1610 H THR A 103 8.838 17.061 -4.117 1.00 0.18 H HETATM 1611 H THR A 103 7.604 18.248 -3.858 1.00 0.18 H HETATM 1612 H THR A 103 7.841 20.286 -3.463 1.00 0.05 H HETATM 1613 H THR A 103 9.093 20.471 -2.188 1.00 0.05 H HETATM 1614 H THR A 103 10.667 21.201 -4.058 1.00 0.03 H HETATM 1615 H THR A 103 9.205 21.316 -5.096 1.00 0.03 H HETATM 1616 H THR A 103 9.103 22.748 -2.471 1.00 0.08 H HETATM 1617 H THR A 103 7.919 23.094 -5.127 1.00 0.19 H HETATM 1618 CB THR A 103 4.988 24.189 -3.298 1.00 -0.01 C HETATM 1619 CG THR A 103 3.568 24.574 -3.674 1.00 -0.04 C HETATM 1620 CD THR A 103 2.586 24.295 -2.528 1.00 -0.01 C HETATM 1621 CE THR A 103 1.200 24.899 -2.798 1.00 -0.04 C HETATM 1622 NZ THR A 103 0.466 24.240 -3.941 1.00 0.22 N HETATM 1623 H THR A 103 -0.431 24.682 -4.064 1.00 0.20 H HETATM 1624 H THR A 103 0.333 23.262 -3.736 1.00 0.20 H HETATM 1625 H THR A 103 1.006 24.336 -4.787 1.00 0.20 H HETATM 1626 H THR A 103 1.326 25.966 -3.034 1.00 0.08 H HETATM 1627 H THR A 103 0.592 24.794 -1.888 1.00 0.08 H HETATM 1628 H THR A 103 2.989 24.730 -1.601 1.00 0.03 H HETATM 1629 H THR A 103 2.482 23.207 -2.407 1.00 0.03 H HETATM 1630 H THR A 103 3.262 23.992 -4.556 1.00 0.03 H HETATM 1631 H THR A 103 3.541 25.647 -3.914 1.00 0.03 H HETATM 1632 H THR A 103 5.195 24.605 -2.301 1.00 0.03 H HETATM 1633 H THR A 103 5.036 23.091 -3.254 1.00 0.03 H HETATM 1634 H THR A 103 6.021 25.759 -4.366 1.00 0.08 H HETATM 1635 H THR A 103 5.461 23.184 -5.617 1.00 0.19 H HETATM 1636 CB THR A 103 7.464 22.874 -8.152 1.00 0.11 C HETATM 1637 OG1 THR A 103 7.652 21.998 -7.009 1.00 -0.38 O HETATM 1638 H THR A 103 8.412 21.447 -7.155 1.00 0.21 H HETATM 1639 CG2 THR A 103 8.755 23.724 -8.413 1.00 -0.03 C HETATM 1640 H THR A 103 9.614 23.052 -8.558 1.00 0.03 H HETATM 1641 H THR A 103 8.944 24.379 -7.550 1.00 0.03 H HETATM 1642 H THR A 103 8.614 24.338 -9.315 1.00 0.03 H HETATM 1643 H THR A 103 7.281 22.249 -9.038 1.00 0.07 H HETATM 1644 H THR A 103 5.334 23.155 -7.808 1.00 0.11 H HETATM 1645 H THR A 103 5.168 25.231 -8.920 1.00 0.20 H HETATM 1646 H THR A 103 5.812 24.085 -9.910 1.00 0.20 H HETATM 1647 H THR A 103 6.780 25.242 -9.252 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1505 1506 1645 1646 1647 CONECT 1506 1505 1507 1636 1644 CONECT 1507 1506 1508 1509 CONECT 1508 1507 CONECT 1509 1507 1510 1635 CONECT 1510 1509 1511 1618 1634 CONECT 1511 1510 1512 1513 CONECT 1512 1511 CONECT 1513 1511 1514 1617 CONECT 1514 1513 1515 1605 1616 CONECT 1515 1514 1516 1517 CONECT 1516 1515 CONECT 1517 1515 1518 1604 CONECT 1518 1517 1519 1595 1603 CONECT 1519 1518 1520 1521 CONECT 1520 1519 CONECT 1521 1519 1522 1594 CONECT 1522 1521 1523 1589 1593 CONECT 1523 1522 1524 1525 CONECT 1524 1523 CONECT 1525 1523 1526 1588 CONECT 1526 1525 1527 1569 1587 CONECT 1527 1526 1528 1529 CONECT 1528 1527 CONECT 1529 1527 1530 1568 CONECT 1530 1529 1531 1551 1567 CONECT 1531 1530 1532 1549 1550 CONECT 1532 1531 1533 1547 1548 CONECT 1533 1532 1534 1545 1546 CONECT 1534 1533 1535 1543 1544 CONECT 1535 1534 1536 1542 CONECT 1536 1535 1537 1538 CONECT 1537 1536 CONECT 1538 1536 1539 1540 1541 CONECT 1539 1538 CONECT 1540 1538 CONECT 1541 1538 CONECT 1542 1535 CONECT 1543 1534 CONECT 1544 1534 CONECT 1545 1533 CONECT 1546 1533 CONECT 1547 1532 CONECT 1548 1532 CONECT 1549 1531 CONECT 1550 1531 CONECT 1551 1530 1552 1553 CONECT 1552 1551 CONECT 1553 1551 1554 1566 CONECT 1554 1553 1555 1560 1565 CONECT 1555 1554 1556 1557 CONECT 1556 1555 CONECT 1557 1555 1558 1559 CONECT 1558 1557 CONECT 1559 1557 CONECT 1560 1554 1561 1563 1564 CONECT 1561 1560 1562 CONECT 1562 1561 CONECT 1563 1560 CONECT 1564 1560 CONECT 1565 1554 CONECT 1566 1553 CONECT 1567 1530 CONECT 1568 1529 CONECT 1569 1526 1570 1585 1586 CONECT 1570 1569 1571 1583 1584 CONECT 1571 1570 1572 1581 1582 CONECT 1572 1571 1573 1580 CONECT 1573 1572 1574 1577 CONECT 1574 1573 1575 1576 CONECT 1575 1574 CONECT 1576 1574 CONECT 1577 1573 1578 1579 CONECT 1578 1577 CONECT 1579 1577 CONECT 1580 1572 CONECT 1581 1571 CONECT 1582 1571 CONECT 1583 1570 CONECT 1584 1570 CONECT 1585 1569 CONECT 1586 1569 CONECT 1587 1526 CONECT 1588 1525 CONECT 1589 1522 1590 1591 1592 CONECT 1590 1589 CONECT 1591 1589 CONECT 1592 1589 CONECT 1593 1522 CONECT 1594 1521 CONECT 1595 1518 1596 1598 1602 CONECT 1596 1595 1597 CONECT 1597 1596 CONECT 1598 1595 1599 1600 1601 CONECT 1599 1598 CONECT 1600 1598 CONECT 1601 1598 CONECT 1602 1595 CONECT 1603 1518 CONECT 1604 1517 CONECT 1605 1514 1606 1614 1615 CONECT 1606 1605 1607 1612 1613 CONECT 1607 1606 1608 1609 CONECT 1608 1607 CONECT 1609 1607 1610 1611 CONECT 1610 1609 CONECT 1611 1609 CONECT 1612 1606 CONECT 1613 1606 CONECT 1614 1605 CONECT 1615 1605 CONECT 1616 1514 CONECT 1617 1513 CONECT 1618 1510 1619 1632 1633 CONECT 1619 1618 1620 1630 1631 CONECT 1620 1619 1621 1628 1629 CONECT 1621 1620 1622 1626 1627 CONECT 1622 1621 1623 1624 1625 CONECT 1623 1622 CONECT 1624 1622 CONECT 1625 1622 CONECT 1626 1621 CONECT 1627 1621 CONECT 1628 1620 CONECT 1629 1620 CONECT 1630 1619 CONECT 1631 1619 CONECT 1632 1618 CONECT 1633 1618 CONECT 1634 1510 CONECT 1635 1509 CONECT 1636 1506 1637 1639 1643 CONECT 1637 1636 1638 CONECT 1638 1637 CONECT 1639 1636 1640 1641 1642 CONECT 1640 1639 CONECT 1641 1639 CONECT 1642 1639 CONECT 1643 1636 CONECT 1644 1506 CONECT 1645 1505 CONECT 1646 1505 CONECT 1647 1505 MASTER 0 0 0 0 0 0 0 0 1646 1 147 11 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4tmp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2b2v
RCSB PDB
PDBbind
16aa, >2B2V_3|Chain... at 93%
2b2w
RCSB PDB
PDBbind
20aa, >2B2W_3|Chain... at 95%
2co0
RCSB PDB
PDBbind
15aa, >2CO0_2|Chains... at 100%
2f6j
RCSB PDB
PDBbind
15aa, >2F6J_2|Chain... at 100%
2fsa
RCSB PDB
PDBbind
15aa, >2FSA_2|Chain... at 100%
2fuu
RCSB PDB
PDBbind
15aa, >2FUU_2|Chain... at 100%
2h2g
RCSB PDB
PDBbind
11aa, >2H2G_2|Chain... at 100%
2h9m
RCSB PDB
PDBbind
11aa, >2H9M_2|Chains... at 100%
2h9n
RCSB PDB
PDBbind
11aa, >2H9N_2|Chains... at 100%
2h9p
RCSB PDB
PDBbind
11aa, >2H9P_2|Chain... at 100%
2l3r
RCSB PDB
PDBbind
11aa, >2L3R_2|Chain... at 100%
2lbm
RCSB PDB
PDBbind
15aa, >2LBM_2|Chain... at 100%
2o9k
RCSB PDB
PDBbind
11aa, >2O9K_2|Chains... at 100%
2r0y
RCSB PDB
PDBbind
13aa, >2R0Y_2|Chain... at 100%
2rnw
RCSB PDB
PDBbind
15aa, >2RNW_2|Chain... at 100%
2rnx
RCSB PDB
PDBbind
13aa, >2RNX_2|Chain... at 92%
2uxn
RCSB PDB
PDBbind
21aa, >2UXN_3|Chain... at 95%
2v1d
RCSB PDB
PDBbind
21aa, >2V1D_3|Chain... at 95%
2ybp
RCSB PDB
PDBbind
12aa, >2YBP_2|Chains... at 91%
2ybs
RCSB PDB
PDBbind
12aa, >2YBS_2|Chains... at 91%
3ask
RCSB PDB
PDBbind
13aa, >3ASK_2|Chains... at 100%
3asl
RCSB PDB
PDBbind
11aa, >3ASL_2|Chain... at 100%
3b95
RCSB PDB
PDBbind
15aa, >3B95_2|Chain... at 100%
3ij0
RCSB PDB
PDBbind
11aa, >3IJ0_2|Chain... at 100%
3kv4
RCSB PDB
PDBbind
24aa, >3KV4_2|Chain... at 95%
3me9
RCSB PDB
PDBbind
11aa, >3ME9_2|Chains... at 100%
3mea
RCSB PDB
PDBbind
11aa, >3MEA_2|Chain... at 100%
3met
RCSB PDB
PDBbind
11aa, >3MET_2|Chains... at 100%
3meu
RCSB PDB
PDBbind
14aa, >3MEU_2|Chains... at 92%
3ql9
RCSB PDB
PDBbind
15aa, >3QL9_2|Chain... at 100%
3qlc
RCSB PDB
PDBbind
15aa, >3QLC_2|Chains... at 100%
3ued
RCSB PDB
PDBbind
12aa, >3UED_2|Chains... at 100%
3uef
RCSB PDB
PDBbind
12aa, >3UEF_2|Chains... at 100%
3uig
RCSB PDB
PDBbind
15aa, >3UIG_2|Chains... at 100%
4a7j
RCSB PDB
PDBbind
16aa, >4A7J_2|Chain... at 100%
4ft2
RCSB PDB
PDBbind
15aa, >4FT2_2|Chain... at 100%
4ft4
RCSB PDB
PDBbind
32aa, >4FT4_2|Chains... at 93%
4gy5
RCSB PDB
PDBbind
17aa, >4GY5_2|Chains... at 100%
4qq4
RCSB PDB
PDBbind
16aa, >4QQ4_2|Chains... at 93%
4u7t
RCSB PDB
PDBbind
12aa, >4U7T_3|Chains... at 100%
4w5a
RCSB PDB
PDBbind
15aa, >4W5A_2|Chains... at 100%
4yhp
RCSB PDB
PDBbind
16aa, >4YHP_1|Chains... at 100%
4yhz
RCSB PDB
PDBbind
12aa, >4YHZ_3|Chain... at 100%
5fb0
RCSB PDB
PDBbind
15aa, >5FB0_2|Chains... at 100%
5fb1
RCSB PDB
PDBbind
15aa, >5FB1_2|Chain... at 100%
5ix1
RCSB PDB
PDBbind
15aa, >5IX1_2|Chains... at 100%
5svx
RCSB PDB
PDBbind
11aa, >5SVX_2|Chain... at 100%
5svy
RCSB PDB
PDBbind
11aa, >5SVY_2|Chain... at 100%
5x60
RCSB PDB
PDBbind
20aa, >5X60_3|Chain... at 90%
5znp
RCSB PDB
PDBbind
15aa, >5ZNP_2|Chains... at 100%
6bhi
RCSB PDB
PDBbind
16aa, >6BHI_2|Chain... at 100%
6mil
RCSB PDB
PDBbind
19aa, >6MIL_2|Chains... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
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
RCSB PDB
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
11-mer
Entry Information
PDB ID
4tmp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein AF-9 AF9 YEATS
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=3.7uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Cell Vol. 159: pp. 1-28
Ligand Properties
Formula
C
3
9
H
7
6
N
1
5
O
1
3
Molecular Weight
963.113
Exact Mass
962.575
No. of atoms
143
No. of bonds
142
Polar Surface Area
500.96
LOGP Value
-5.90 (
Computed with XLOGP3
)
-5.70 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 45
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=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)N[C@H](C(=O)N)CO)CCCCNC(=O)C)CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)[NH3+]
InChI String
InChI=1S/C39H73N15O13/c1-19(32(61)49-25(12-9-17-47-39(44)45)34(63)50-23(11-6-8-16-46-22(4)58)35(64)53-27(18-55)31(43)60)48-38(67)30(21(3)57)54-36(65)26(13-14-28(41)59)51-33(62)24(10-5-7-15-40)52-37(66)29(42)20(2)56/h19-21,23-27,29-30,55-57H,5-18,40,42H2,1-4H3,(H2,41,59)(H2,43,60)(H,46,58)(H,48,67)(H,49,61)(H,50,63)(H,51,62)(H,52,66)(H,53,64)(H,54,65)(H4,44,45,47)/p+3/t19-,20+,21+,23-,24-,25-,26-,27-,29-,30-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P84243
P42568
Entrez Gene ID
NCBI Entrez Gene ID:
3020
3021
4300
ASD
Information of known allosteric effects of PDB entries
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