Browse entries in the PDBbind-CN Database
HEADER 5OAI_COMPLEX COMPND 5OAI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 97 MET GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG SEQRES 2 A 97 PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY SEQRES 3 A 97 ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE SEQRES 4 A 97 TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP SEQRES 5 A 97 GLU LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU SEQRES 6 A 97 LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS SEQRES 7 A 97 GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU SEQRES 8 A 97 VAL VAL VAL ASN GLN GLN HET B A 5K 54 ATOM 1 N MET A 17 55.979 5.404 28.002 1.00 62.51 N ATOM 2 CA MET A 17 55.140 4.292 27.578 1.00 63.29 C ATOM 3 C MET A 17 53.656 4.612 27.754 1.00 64.45 C ATOM 4 O MET A 17 52.861 3.732 28.098 1.00 68.80 O ATOM 5 CB MET A 17 55.508 3.021 28.349 1.00 65.19 C ATOM 6 HN3 MET A 17 55.802 5.607 29.007 1.00 0.00 H ATOM 7 HN2 MET A 17 55.753 6.244 27.432 1.00 0.00 H ATOM 8 HN1 MET A 17 56.979 5.152 27.869 1.00 0.00 H ATOM 9 N GLN A 18 53.291 5.876 27.530 1.00 61.54 N ATOM 10 CA GLN A 18 51.887 6.270 27.475 1.00 61.58 C ATOM 11 C GLN A 18 51.730 7.631 26.810 1.00 56.10 C ATOM 12 O GLN A 18 52.106 8.662 27.375 1.00 55.03 O ATOM 13 CB GLN A 18 51.261 6.292 28.869 1.00 66.47 C ATOM 14 CG GLN A 18 49.767 6.576 28.840 1.00 70.36 C ATOM 15 CD GLN A 18 48.943 5.310 28.717 1.00 73.97 C ATOM 16 OE1 GLN A 18 49.188 4.324 29.412 1.00 76.08 O ATOM 17 NE2 GLN A 18 47.961 5.329 27.823 1.00 75.06 N ATOM 18 HE22 GLN A 18 47.790 6.184 27.257 1.00 0.00 H ATOM 19 HE21 GLN A 18 47.364 4.488 27.689 1.00 0.00 H ATOM 20 H GLN A 18 54.026 6.599 27.391 1.00 0.00 H ATOM 21 N ILE A 19 51.167 7.640 25.609 1.00 51.61 N ATOM 22 CA ILE A 19 50.925 8.850 24.834 1.00 45.90 C ATOM 23 C ILE A 19 49.428 9.102 24.815 1.00 45.74 C ATOM 24 O ILE A 19 48.662 8.157 24.561 1.00 46.41 O ATOM 25 CB ILE A 19 51.476 8.725 23.399 1.00 41.59 C ATOM 26 CG1 ILE A 19 52.960 8.350 23.427 1.00 38.10 C ATOM 27 CG2 ILE A 19 51.262 10.011 22.614 1.00 38.68 C ATOM 28 CD1 ILE A 19 53.843 9.394 24.092 1.00 35.45 C ATOM 29 H ILE A 19 50.881 6.729 25.196 1.00 0.00 H ATOM 30 N PRO A 20 48.955 10.315 25.091 1.00 44.57 N ATOM 31 CA PRO A 20 47.513 10.577 25.043 1.00 46.26 C ATOM 32 C PRO A 20 46.944 10.255 23.668 1.00 45.68 C ATOM 33 O PRO A 20 47.600 10.454 22.643 1.00 42.22 O ATOM 34 CB PRO A 20 47.405 12.071 25.366 1.00 45.76 C ATOM 35 CG PRO A 20 48.656 12.384 26.121 1.00 44.25 C ATOM 36 CD PRO A 20 49.717 11.504 25.523 1.00 42.28 C ATOM 37 N ALA A 21 45.713 9.739 23.659 1.00 48.99 N ATOM 38 CA ALA A 21 45.089 9.340 22.402 1.00 50.60 C ATOM 39 C ALA A 21 44.929 10.520 21.454 1.00 50.93 C ATOM 40 O ALA A 21 45.006 10.348 20.231 1.00 50.18 O ATOM 41 CB ALA A 21 43.733 8.686 22.671 1.00 53.96 C ATOM 42 H ALA A 21 45.196 9.621 24.553 1.00 0.00 H ATOM 43 N SER A 22 44.712 11.721 21.995 1.00 52.64 N ATOM 44 CA SER A 22 44.568 12.900 21.148 1.00 53.12 C ATOM 45 C SER A 22 45.861 13.209 20.407 1.00 51.28 C ATOM 46 O SER A 22 45.834 13.653 19.253 1.00 53.29 O ATOM 47 CB SER A 22 44.137 14.098 21.992 1.00 55.50 C ATOM 48 OG SER A 22 45.228 14.606 22.743 1.00 55.97 O ATOM 49 HG SER A 22 44.925 15.380 23.281 1.00 0.00 H ATOM 50 H SER A 22 44.645 11.817 23.028 1.00 0.00 H ATOM 51 N GLU A 23 47.006 12.983 21.054 1.00 47.58 N ATOM 52 CA GLU A 23 48.282 13.242 20.396 1.00 42.69 C ATOM 53 C GLU A 23 48.605 12.174 19.360 1.00 41.51 C ATOM 54 O GLU A 23 49.309 12.455 18.380 1.00 38.48 O ATOM 55 CB GLU A 23 49.394 13.358 21.443 1.00 40.11 C ATOM 56 CG GLU A 23 50.766 13.653 20.858 1.00 37.63 C ATOM 57 CD GLU A 23 51.863 13.763 21.906 1.00 36.19 C ATOM 58 OE1 GLU A 23 51.563 13.622 23.111 1.00 37.30 O ATOM 59 OE2 GLU A 23 53.024 14.014 21.521 1.00 33.58 O ATOM 60 H GLU A 23 46.989 12.622 22.029 1.00 0.00 H ATOM 61 N GLN A 24 48.079 10.959 19.538 1.00 43.86 N ATOM 62 CA GLN A 24 48.316 9.905 18.560 1.00 45.20 C ATOM 63 C GLN A 24 47.676 10.228 17.214 1.00 45.88 C ATOM 64 O GLN A 24 48.170 9.782 16.172 1.00 45.06 O ATOM 65 CB GLN A 24 47.789 8.575 19.089 1.00 46.40 C ATOM 66 CG GLN A 24 48.373 8.163 20.431 1.00 47.74 C ATOM 67 CD GLN A 24 48.073 6.718 20.776 1.00 51.35 C ATOM 68 OE1 GLN A 24 47.769 6.391 21.924 1.00 53.98 O ATOM 69 NE2 GLN A 24 48.160 5.843 19.782 1.00 51.22 N ATOM 70 HE22 GLN A 24 48.420 6.164 18.828 1.00 0.00 H ATOM 71 HE21 GLN A 24 47.968 4.836 19.957 1.00 0.00 H ATOM 72 H GLN A 24 47.498 10.764 20.378 1.00 0.00 H ATOM 73 N GLU A 25 46.586 10.992 17.211 1.00 44.86 N ATOM 74 CA GLU A 25 45.906 11.337 15.971 1.00 46.03 C ATOM 75 C GLU A 25 46.398 12.650 15.372 1.00 44.95 C ATOM 76 O GLU A 25 45.806 13.136 14.402 1.00 45.12 O ATOM 77 CB GLU A 25 44.391 11.389 16.197 1.00 48.36 C ATOM 78 CG GLU A 25 43.798 10.092 16.747 1.00 50.96 C ATOM 79 CD GLU A 25 43.830 8.942 15.749 1.00 50.91 C ATOM 80 OE1 GLU A 25 43.542 7.796 16.158 1.00 53.01 O ATOM 81 OE2 GLU A 25 44.133 9.176 14.559 1.00 50.38 O ATOM 82 H GLU A 25 46.212 11.350 18.113 1.00 0.00 H ATOM 83 N THR A 26 47.477 13.216 15.909 1.00 44.49 N ATOM 84 CA THR A 26 48.039 14.445 15.365 1.00 43.62 C ATOM 85 C THR A 26 48.490 14.228 13.927 1.00 42.85 C ATOM 86 O THR A 26 49.169 13.246 13.616 1.00 41.33 O ATOM 87 CB THR A 26 49.216 14.911 16.225 1.00 43.50 C ATOM 88 OG1 THR A 26 48.749 15.242 17.539 1.00 45.37 O ATOM 89 CG2 THR A 26 49.888 16.132 15.613 1.00 43.75 C ATOM 90 HG1 THR A 26 48.335 14.443 17.952 1.00 0.00 H ATOM 91 H THR A 26 47.928 12.771 16.734 1.00 0.00 H ATOM 92 N LEU A 27 48.099 15.145 13.046 1.00 43.84 N ATOM 93 CA LEU A 27 48.482 15.059 11.642 1.00 43.51 C ATOM 94 C LEU A 27 49.874 15.648 11.445 1.00 40.52 C ATOM 95 O LEU A 27 50.162 16.753 11.916 1.00 38.03 O ATOM 96 CB LEU A 27 47.467 15.785 10.757 1.00 46.01 C ATOM 97 CG LEU A 27 46.058 15.200 10.584 1.00 51.80 C ATOM 98 CD1 LEU A 27 46.127 13.760 10.092 1.00 51.68 C ATOM 99 CD2 LEU A 27 45.169 15.321 11.830 1.00 56.45 C ATOM 100 H LEU A 27 47.508 15.939 13.365 1.00 0.00 H ATOM 101 N VAL A 28 50.736 14.914 10.743 1.00 38.86 N ATOM 102 CA VAL A 28 52.135 15.291 10.582 1.00 38.34 C ATOM 103 C VAL A 28 52.574 15.041 9.144 1.00 39.79 C ATOM 104 O VAL A 28 52.013 14.198 8.435 1.00 41.81 O ATOM 105 CB VAL A 28 53.046 14.522 11.565 1.00 37.04 C ATOM 106 CG1 VAL A 28 52.762 14.943 13.002 1.00 36.29 C ATOM 107 CG2 VAL A 28 52.871 13.019 11.400 1.00 36.94 C ATOM 108 H VAL A 28 50.398 14.039 10.293 1.00 0.00 H ATOM 109 N ARG A 29 53.587 15.784 8.713 1.00 39.25 N ATOM 110 CA ARG A 29 54.206 15.578 7.402 1.00 41.76 C ATOM 111 C ARG A 29 55.683 15.278 7.587 1.00 40.50 C ATOM 112 O ARG A 29 56.449 16.181 7.982 1.00 40.05 O ATOM 113 CB ARG A 29 54.022 16.793 6.494 1.00 46.13 C ATOM 114 CG ARG A 29 52.585 17.041 6.089 1.00 50.88 C ATOM 115 CD ARG A 29 52.449 18.226 5.138 1.00 54.49 C ATOM 116 NE ARG A 29 51.101 18.302 4.574 1.00 58.22 N ATOM 117 CZ ARG A 29 50.284 19.341 4.725 1.00 62.87 C ATOM 118 NH1 ARG A 29 50.681 20.396 5.422 1.00 64.12 N ATOM 119 NH2 ARG A 29 49.071 19.329 4.183 1.00 65.26 N ATOM 120 HE ARG A 29 50.759 17.491 4.019 1.00 0.00 H ATOM 121 HH12 ARG A 29 50.044 21.210 5.542 1.00 0.00 H ATOM 122 HH11 ARG A 29 51.629 20.410 5.849 1.00 0.00 H ATOM 123 HH22 ARG A 29 48.438 20.145 4.306 1.00 0.00 H ATOM 124 HH21 ARG A 29 48.754 18.503 3.636 1.00 0.00 H ATOM 125 H ARG A 29 53.953 16.538 9.328 1.00 0.00 H ATOM 126 N PRO A 30 56.138 14.055 7.324 1.00 40.23 N ATOM 127 CA PRO A 30 57.551 13.732 7.547 1.00 39.47 C ATOM 128 C PRO A 30 58.466 14.500 6.603 1.00 41.91 C ATOM 129 O PRO A 30 58.122 14.771 5.450 1.00 44.26 O ATOM 130 CB PRO A 30 57.618 12.222 7.290 1.00 40.37 C ATOM 131 CG PRO A 30 56.219 11.745 7.493 1.00 40.13 C ATOM 132 CD PRO A 30 55.351 12.857 6.986 1.00 40.54 C ATOM 133 N LYS A 31 59.644 14.848 7.114 1.00 42.14 N ATOM 134 CA LYS A 31 60.679 15.478 6.316 1.00 44.13 C ATOM 135 C LYS A 31 61.283 14.441 5.367 1.00 44.15 C ATOM 136 O LYS A 31 61.066 13.239 5.538 1.00 44.53 O ATOM 137 CB LYS A 31 61.716 16.118 7.241 1.00 45.63 C ATOM 138 CG LYS A 31 61.111 17.182 8.151 1.00 47.68 C ATOM 139 CD LYS A 31 62.124 18.236 8.572 1.00 49.85 C ATOM 140 CE LYS A 31 62.250 18.312 10.086 1.00 48.90 C ATOM 141 NZ LYS A 31 63.351 19.224 10.505 1.00 51.17 N ATOM 142 HZ1 LYS A 31 64.252 18.878 10.119 1.00 0.00 H ATOM 143 HZ2 LYS A 31 63.163 20.181 10.144 1.00 0.00 H ATOM 144 HZ3 LYS A 31 63.404 19.248 11.543 1.00 0.00 H ATOM 145 H LYS A 31 59.829 14.662 8.120 1.00 0.00 H ATOM 146 N PRO A 32 62.039 14.879 4.343 1.00 51.72 N ATOM 147 CA PRO A 32 62.403 13.954 3.249 1.00 54.81 C ATOM 148 C PRO A 32 63.024 12.634 3.681 1.00 55.11 C ATOM 149 O PRO A 32 62.676 11.591 3.115 1.00 57.61 O ATOM 150 CB PRO A 32 63.388 14.786 2.416 1.00 57.20 C ATOM 151 CG PRO A 32 62.944 16.179 2.621 1.00 55.87 C ATOM 152 CD PRO A 32 62.500 16.251 4.055 1.00 51.93 C ATOM 153 N LEU A 33 63.931 12.641 4.659 1.00 53.10 N ATOM 154 CA LEU A 33 64.617 11.404 5.025 1.00 53.95 C ATOM 155 C LEU A 33 63.668 10.426 5.707 1.00 51.49 C ATOM 156 O LEU A 33 63.664 9.229 5.394 1.00 53.71 O ATOM 157 CB LEU A 33 65.818 11.709 5.919 1.00 52.45 C ATOM 158 CG LEU A 33 67.058 12.304 5.249 1.00 54.97 C ATOM 159 CD1 LEU A 33 68.236 12.321 6.216 1.00 53.21 C ATOM 160 CD2 LEU A 33 67.408 11.533 3.985 1.00 59.43 C ATOM 161 H LEU A 33 64.150 13.526 5.160 1.00 0.00 H ATOM 162 N LEU A 34 62.857 10.915 6.648 1.00 47.08 N ATOM 163 CA LEU A 34 61.862 10.056 7.282 1.00 44.68 C ATOM 164 C LEU A 34 60.821 9.589 6.274 1.00 46.71 C ATOM 165 O LEU A 34 60.370 8.439 6.323 1.00 48.24 O ATOM 166 CB LEU A 34 61.192 10.792 8.442 1.00 40.31 C ATOM 167 CG LEU A 34 60.095 10.024 9.183 1.00 38.88 C ATOM 168 CD1 LEU A 34 60.650 8.743 9.785 1.00 38.99 C ATOM 169 CD2 LEU A 34 59.450 10.891 10.252 1.00 36.00 C ATOM 170 H LEU A 34 62.935 11.913 6.931 1.00 0.00 H ATOM 171 N LEU A 35 60.432 10.473 5.352 1.00 46.87 N ATOM 172 CA LEU A 35 59.471 10.101 4.316 1.00 48.63 C ATOM 173 C LEU A 35 59.990 8.939 3.481 1.00 52.61 C ATOM 174 O LEU A 35 59.285 7.943 3.274 1.00 52.34 O ATOM 175 CB LEU A 35 59.166 11.310 3.430 1.00 48.67 C ATOM 176 CG LEU A 35 57.979 11.183 2.470 1.00 50.57 C ATOM 177 CD1 LEU A 35 56.702 10.767 3.199 1.00 48.68 C ATOM 178 CD2 LEU A 35 57.770 12.485 1.715 1.00 51.51 C ATOM 179 H LEU A 35 60.818 11.439 5.371 1.00 0.00 H ATOM 180 N LYS A 36 61.227 9.050 2.991 1.00 55.59 N ATOM 181 CA LYS A 36 61.816 7.981 2.193 1.00 60.94 C ATOM 182 C LYS A 36 61.864 6.673 2.973 1.00 60.25 C ATOM 183 O LYS A 36 61.637 5.595 2.411 1.00 62.65 O ATOM 184 CB LYS A 36 63.218 8.384 1.731 1.00 64.40 C ATOM 185 CG LYS A 36 63.953 7.322 0.927 1.00 70.26 C ATOM 186 CD LYS A 36 65.187 7.908 0.261 1.00 74.42 C ATOM 187 CE LYS A 36 66.065 8.624 1.275 1.00 72.82 C ATOM 188 NZ LYS A 36 66.609 7.699 2.308 1.00 71.63 N ATOM 189 HZ1 LYS A 36 65.822 7.253 2.821 1.00 0.00 H ATOM 190 HZ2 LYS A 36 67.183 6.965 1.846 1.00 0.00 H ATOM 191 HZ3 LYS A 36 67.200 8.235 2.975 1.00 0.00 H ATOM 192 H LYS A 36 61.778 9.911 3.181 1.00 0.00 H ATOM 193 N LEU A 37 62.155 6.753 4.273 1.00 57.04 N ATOM 194 CA LEU A 37 62.159 5.559 5.113 1.00 55.89 C ATOM 195 C LEU A 37 60.777 4.922 5.163 1.00 55.68 C ATOM 196 O LEU A 37 60.638 3.700 5.035 1.00 56.01 O ATOM 197 CB LEU A 37 62.642 5.920 6.520 1.00 51.71 C ATOM 198 CG LEU A 37 62.937 4.810 7.531 1.00 51.11 C ATOM 199 CD1 LEU A 37 64.019 5.264 8.497 1.00 49.23 C ATOM 200 CD2 LEU A 37 61.685 4.409 8.299 1.00 49.32 C ATOM 201 H LEU A 37 62.382 7.677 4.693 1.00 0.00 H ATOM 202 N LEU A 38 59.738 5.741 5.351 1.00 54.05 N ATOM 203 CA LEU A 38 58.385 5.211 5.482 1.00 53.39 C ATOM 204 C LEU A 38 57.904 4.576 4.183 1.00 57.79 C ATOM 205 O LEU A 38 57.184 3.572 4.205 1.00 58.43 O ATOM 206 CB LEU A 38 57.429 6.322 5.917 1.00 49.67 C ATOM 207 CG LEU A 38 57.610 6.873 7.332 1.00 46.26 C ATOM 208 CD1 LEU A 38 56.549 7.921 7.639 1.00 44.94 C ATOM 209 CD2 LEU A 38 57.569 5.751 8.353 1.00 45.78 C ATOM 210 H LEU A 38 59.896 6.768 5.405 1.00 0.00 H ATOM 211 N LYS A 39 58.291 5.146 3.039 1.00 61.16 N ATOM 212 CA LYS A 39 57.820 4.624 1.763 1.00 66.70 C ATOM 213 C LYS A 39 58.445 3.281 1.413 1.00 69.05 C ATOM 214 O LYS A 39 57.878 2.541 0.602 1.00 71.50 O ATOM 215 CB LYS A 39 58.082 5.636 0.648 1.00 70.58 C ATOM 216 CG LYS A 39 57.321 6.940 0.828 1.00 69.88 C ATOM 217 CD LYS A 39 56.775 7.456 -0.493 1.00 74.33 C ATOM 218 CE LYS A 39 56.806 8.975 -0.544 1.00 73.53 C ATOM 219 NZ LYS A 39 58.200 9.499 -0.528 1.00 73.80 N ATOM 220 HZ1 LYS A 39 58.675 9.191 0.344 1.00 0.00 H ATOM 221 HZ2 LYS A 39 58.716 9.133 -1.353 1.00 0.00 H ATOM 222 HZ3 LYS A 39 58.179 10.538 -0.564 1.00 0.00 H ATOM 223 H LYS A 39 58.931 5.966 3.059 1.00 0.00 H ATOM 224 N SER A 40 59.586 2.944 2.013 1.00 68.25 N ATOM 225 CA SER A 40 60.230 1.666 1.744 1.00 70.81 C ATOM 226 C SER A 40 59.505 0.488 2.382 1.00 70.74 C ATOM 227 O SER A 40 59.831 -0.659 2.060 1.00 73.27 O ATOM 228 CB SER A 40 61.680 1.705 2.227 1.00 69.64 C ATOM 229 OG SER A 40 61.747 1.622 3.640 1.00 65.81 O ATOM 230 HG SER A 40 61.259 2.386 4.038 1.00 0.00 H ATOM 231 H SER A 40 60.024 3.605 2.685 1.00 0.00 H ATOM 232 N VAL A 41 58.534 0.732 3.263 1.00 68.64 N ATOM 233 CA VAL A 41 57.850 -0.354 3.958 1.00 69.77 C ATOM 234 C VAL A 41 56.349 -0.315 3.691 1.00 71.28 C ATOM 235 O VAL A 41 55.551 -0.785 4.510 1.00 70.01 O ATOM 236 CB VAL A 41 58.141 -0.316 5.470 1.00 65.64 C ATOM 237 CG1 VAL A 41 59.629 -0.497 5.726 1.00 65.79 C ATOM 238 CG2 VAL A 41 57.649 0.986 6.080 1.00 61.77 C ATOM 239 H VAL A 41 58.259 1.716 3.459 1.00 0.00 H ATOM 240 N GLY A 42 55.950 0.236 2.545 1.00 73.85 N ATOM 241 CA GLY A 42 54.578 0.151 2.093 1.00 75.25 C ATOM 242 C GLY A 42 53.744 1.401 2.278 1.00 73.23 C ATOM 243 O GLY A 42 52.644 1.477 1.714 1.00 73.98 O ATOM 244 H GLY A 42 56.645 0.742 1.959 1.00 0.00 H ATOM 245 N ALA A 43 54.212 2.372 3.057 1.00 70.64 N ATOM 246 CA ALA A 43 53.510 3.641 3.169 1.00 69.50 C ATOM 247 C ALA A 43 53.738 4.462 1.908 1.00 72.06 C ATOM 248 O ALA A 43 54.846 4.500 1.370 1.00 73.63 O ATOM 249 CB ALA A 43 53.983 4.415 4.399 1.00 65.82 C ATOM 250 H ALA A 43 55.091 2.222 3.593 1.00 0.00 H ATOM 251 N GLN A 44 52.679 5.106 1.420 1.00 73.42 N ATOM 252 CA GLN A 44 52.780 5.931 0.226 1.00 77.37 C ATOM 253 C GLN A 44 52.309 7.361 0.425 1.00 75.19 C ATOM 254 O GLN A 44 52.604 8.210 -0.423 1.00 76.93 O ATOM 255 CB GLN A 44 51.983 5.309 -0.932 1.00 82.78 C ATOM 256 CG GLN A 44 52.548 3.986 -1.420 1.00 87.61 C ATOM 257 CD GLN A 44 53.660 4.158 -2.439 1.00 92.06 C ATOM 258 OE1 GLN A 44 53.580 5.004 -3.330 1.00 94.06 O ATOM 259 NE2 GLN A 44 54.709 3.354 -2.307 1.00 93.69 N ATOM 260 HE22 GLN A 44 54.734 2.653 -1.539 1.00 0.00 H ATOM 261 HE21 GLN A 44 55.506 3.425 -2.972 1.00 0.00 H ATOM 262 H GLN A 44 51.762 5.017 1.902 1.00 0.00 H ATOM 263 N LYS A 45 51.601 7.651 1.510 1.00 71.82 N ATOM 264 CA LYS A 45 51.096 8.990 1.758 1.00 69.61 C ATOM 265 C LYS A 45 52.238 9.947 2.085 1.00 67.45 C ATOM 266 O LYS A 45 53.363 9.539 2.390 1.00 67.35 O ATOM 267 CB LYS A 45 50.094 8.969 2.912 1.00 66.83 C ATOM 268 CG LYS A 45 49.237 7.717 2.947 1.00 68.21 C ATOM 269 CD LYS A 45 48.809 7.368 4.363 1.00 64.78 C ATOM 270 CE LYS A 45 47.784 8.352 4.900 1.00 62.60 C ATOM 271 NZ LYS A 45 46.868 7.707 5.882 1.00 61.59 N ATOM 272 HZ1 LYS A 45 46.362 6.924 5.420 1.00 0.00 H ATOM 273 HZ2 LYS A 45 47.422 7.340 6.682 1.00 0.00 H ATOM 274 HZ3 LYS A 45 46.182 8.409 6.227 1.00 0.00 H ATOM 275 H LYS A 45 51.403 6.899 2.201 1.00 0.00 H ATOM 276 N ASP A 46 51.934 11.241 2.012 1.00 65.77 N ATOM 277 CA ASP A 46 52.838 12.281 2.479 1.00 63.69 C ATOM 278 C ASP A 46 52.389 12.896 3.797 1.00 58.41 C ATOM 279 O ASP A 46 53.165 13.630 4.419 1.00 56.73 O ATOM 280 CB ASP A 46 52.977 13.385 1.422 1.00 66.78 C ATOM 281 CG ASP A 46 53.930 13.007 0.302 1.00 71.54 C ATOM 282 OD1 ASP A 46 54.163 11.797 0.098 1.00 73.58 O ATOM 283 OD2 ASP A 46 54.449 13.921 -0.373 1.00 73.44 O ATOM 284 H ASP A 46 51.017 11.519 1.607 1.00 0.00 H ATOM 285 N THR A 47 51.164 12.612 4.233 1.00 55.68 N ATOM 286 CA THR A 47 50.616 13.129 5.479 1.00 51.07 C ATOM 287 C THR A 47 50.089 11.961 6.296 1.00 50.01 C ATOM 288 O THR A 47 49.354 11.118 5.773 1.00 51.73 O ATOM 289 CB THR A 47 49.499 14.142 5.212 1.00 50.45 C ATOM 290 OG1 THR A 47 50.008 15.206 4.399 1.00 51.67 O ATOM 291 CG2 THR A 47 48.972 14.713 6.517 1.00 46.87 C ATOM 292 HG1 THR A 47 49.287 15.861 4.226 1.00 0.00 H ATOM 293 H THR A 47 50.567 11.988 3.653 1.00 0.00 H ATOM 294 N TYR A 48 50.462 11.914 7.573 1.00 46.68 N ATOM 295 CA TYR A 48 50.129 10.789 8.432 1.00 45.29 C ATOM 296 C TYR A 48 49.631 11.294 9.776 1.00 42.53 C ATOM 297 O TYR A 48 49.799 12.464 10.128 1.00 41.72 O ATOM 298 CB TYR A 48 51.339 9.873 8.672 1.00 45.40 C ATOM 299 CG TYR A 48 51.996 9.337 7.422 1.00 48.18 C ATOM 300 CD1 TYR A 48 52.914 10.101 6.713 1.00 47.97 C ATOM 301 CD2 TYR A 48 51.717 8.056 6.965 1.00 49.83 C ATOM 302 CE1 TYR A 48 53.523 9.612 5.575 1.00 50.42 C ATOM 303 CE2 TYR A 48 52.321 7.558 5.828 1.00 52.37 C ATOM 304 CZ TYR A 48 53.223 8.339 5.138 1.00 52.63 C ATOM 305 OH TYR A 48 53.827 7.847 4.003 1.00 55.95 O ATOM 306 HH TYR A 48 54.441 8.531 3.634 1.00 0.00 H ATOM 307 H TYR A 48 51.008 12.706 7.968 1.00 0.00 H ATOM 308 N THR A 49 49.010 10.390 10.523 1.00 42.59 N ATOM 309 CA THR A 49 48.874 10.551 11.960 1.00 39.77 C ATOM 310 C THR A 49 50.110 9.970 12.637 1.00 38.62 C ATOM 311 O THR A 49 50.807 9.121 12.077 1.00 42.82 O ATOM 312 CB THR A 49 47.612 9.858 12.480 1.00 40.12 C ATOM 313 OG1 THR A 49 47.749 8.439 12.332 1.00 42.06 O ATOM 314 CG2 THR A 49 46.386 10.327 11.710 1.00 42.55 C ATOM 315 HG1 THR A 49 46.932 7.993 12.669 1.00 0.00 H ATOM 316 H THR A 49 48.610 9.545 10.068 1.00 0.00 H ATOM 317 N MET A 50 50.392 10.452 13.850 1.00 43.61 N ATOM 318 CA MET A 50 51.513 9.899 14.605 1.00 40.27 C ATOM 319 C MET A 50 51.315 8.407 14.849 1.00 38.92 C ATOM 320 O MET A 50 52.282 7.637 14.858 1.00 36.84 O ATOM 321 CB MET A 50 51.686 10.647 15.927 1.00 39.12 C ATOM 322 CG MET A 50 52.322 12.027 15.793 1.00 38.58 C ATOM 323 SD MET A 50 53.997 11.997 15.116 1.00 36.23 S ATOM 324 CE MET A 50 54.927 11.345 16.500 1.00 34.33 C ATOM 325 H MET A 50 49.816 11.217 14.255 1.00 0.00 H ATOM 326 N LYS A 51 50.061 7.984 15.034 1.00 39.90 N ATOM 327 CA LYS A 51 49.747 6.563 15.139 1.00 41.86 C ATOM 328 C LYS A 51 50.250 5.794 13.923 1.00 39.73 C ATOM 329 O LYS A 51 50.800 4.694 14.055 1.00 41.04 O ATOM 330 CB LYS A 51 48.236 6.382 15.296 1.00 47.16 C ATOM 331 CG LYS A 51 47.815 5.123 16.024 1.00 51.11 C ATOM 332 CD LYS A 51 46.352 5.210 16.432 1.00 57.44 C ATOM 333 CE LYS A 51 46.079 4.420 17.698 1.00 58.28 C ATOM 334 NZ LYS A 51 44.966 5.009 18.494 1.00 60.52 N ATOM 335 HZ1 LYS A 51 45.212 5.982 18.765 1.00 0.00 H ATOM 336 HZ2 LYS A 51 44.098 5.016 17.921 1.00 0.00 H ATOM 337 HZ3 LYS A 51 44.813 4.438 19.350 1.00 0.00 H ATOM 338 H LYS A 51 49.293 8.682 15.105 1.00 0.00 H ATOM 339 N GLU A 52 50.073 6.363 12.727 1.00 38.90 N ATOM 340 CA GLU A 52 50.539 5.703 11.512 1.00 38.27 C ATOM 341 C GLU A 52 52.059 5.708 11.423 1.00 35.59 C ATOM 342 O GLU A 52 52.664 4.713 11.007 1.00 34.79 O ATOM 343 CB GLU A 52 49.931 6.379 10.284 1.00 40.97 C ATOM 344 CG GLU A 52 48.438 6.155 10.127 1.00 44.78 C ATOM 345 CD GLU A 52 47.848 6.963 8.989 1.00 48.01 C ATOM 346 OE1 GLU A 52 48.112 8.182 8.930 1.00 46.92 O ATOM 347 OE2 GLU A 52 47.120 6.383 8.156 1.00 50.69 O ATOM 348 H GLU A 52 49.598 7.286 12.661 1.00 0.00 H ATOM 349 N VAL A 53 52.693 6.820 11.800 1.00 34.17 N ATOM 350 CA VAL A 53 54.151 6.896 11.744 1.00 30.96 C ATOM 351 C VAL A 53 54.774 5.842 12.650 1.00 28.53 C ATOM 352 O VAL A 53 55.737 5.164 12.269 1.00 27.31 O ATOM 353 CB VAL A 53 54.629 8.312 12.114 1.00 29.41 C ATOM 354 CG1 VAL A 53 56.153 8.366 12.152 1.00 28.02 C ATOM 355 CG2 VAL A 53 54.073 9.337 11.132 1.00 29.38 C ATOM 356 H VAL A 53 52.146 7.638 12.136 1.00 0.00 H ATOM 357 N LEU A 54 54.228 5.680 13.858 1.00 29.06 N ATOM 358 CA LEU A 54 54.771 4.702 14.795 1.00 30.81 C ATOM 359 C LEU A 54 54.608 3.281 14.271 1.00 33.03 C ATOM 360 O LEU A 54 55.503 2.444 14.436 1.00 33.84 O ATOM 361 CB LEU A 54 54.093 4.850 16.158 1.00 31.83 C ATOM 362 CG LEU A 54 54.769 5.762 17.182 1.00 32.21 C ATOM 363 CD1 LEU A 54 56.153 5.233 17.517 1.00 32.23 C ATOM 364 CD2 LEU A 54 54.839 7.206 16.695 1.00 31.59 C ATOM 365 H LEU A 54 53.408 6.257 14.134 1.00 0.00 H ATOM 366 N PHE A 55 53.468 2.990 13.638 1.00 34.95 N ATOM 367 CA PHE A 55 53.240 1.653 13.099 1.00 36.26 C ATOM 368 C PHE A 55 54.235 1.331 11.993 1.00 36.04 C ATOM 369 O PHE A 55 54.830 0.248 11.974 1.00 35.93 O ATOM 370 CB PHE A 55 51.805 1.530 12.582 1.00 37.93 C ATOM 371 CG PHE A 55 51.579 0.334 11.693 1.00 39.18 C ATOM 372 CD1 PHE A 55 51.358 -0.919 12.239 1.00 40.37 C ATOM 373 CD2 PHE A 55 51.580 0.465 10.312 1.00 39.79 C ATOM 374 CE1 PHE A 55 51.152 -2.021 11.427 1.00 41.86 C ATOM 375 CE2 PHE A 55 51.375 -0.632 9.495 1.00 42.03 C ATOM 376 CZ PHE A 55 51.159 -1.876 10.054 1.00 42.66 C ATOM 377 H PHE A 55 52.737 3.722 13.528 1.00 0.00 H ATOM 378 N TYR A 56 54.428 2.263 11.057 1.00 36.66 N ATOM 379 CA TYR A 56 55.314 1.993 9.931 1.00 37.50 C ATOM 380 C TYR A 56 56.776 1.966 10.358 1.00 36.73 C ATOM 381 O TYR A 56 57.567 1.202 9.793 1.00 36.90 O ATOM 382 CB TYR A 56 55.089 3.024 8.826 1.00 39.25 C ATOM 383 CG TYR A 56 53.812 2.792 8.050 1.00 42.59 C ATOM 384 CD1 TYR A 56 53.618 1.620 7.331 1.00 45.37 C ATOM 385 CD2 TYR A 56 52.798 3.742 8.041 1.00 43.63 C ATOM 386 CE1 TYR A 56 52.451 1.399 6.623 1.00 47.32 C ATOM 387 CE2 TYR A 56 51.627 3.530 7.336 1.00 46.48 C ATOM 388 CZ TYR A 56 51.459 2.357 6.629 1.00 48.09 C ATOM 389 OH TYR A 56 50.298 2.139 5.924 1.00 51.47 O ATOM 390 HH TYR A 56 50.344 1.256 5.479 1.00 0.00 H ATOM 391 H TYR A 56 53.946 3.182 11.131 1.00 0.00 H ATOM 392 N LEU A 57 57.155 2.778 11.349 1.00 34.65 N ATOM 393 CA LEU A 57 58.511 2.693 11.882 1.00 33.34 C ATOM 394 C LEU A 57 58.751 1.351 12.559 1.00 32.72 C ATOM 395 O LEU A 57 59.845 0.784 12.462 1.00 30.46 O ATOM 396 CB LEU A 57 58.771 3.838 12.859 1.00 33.01 C ATOM 397 CG LEU A 57 59.251 5.155 12.251 1.00 33.71 C ATOM 398 CD1 LEU A 57 59.176 6.265 13.279 1.00 34.77 C ATOM 399 CD2 LEU A 57 60.668 5.011 11.727 1.00 33.77 C ATOM 400 H LEU A 57 56.484 3.470 11.740 1.00 0.00 H ATOM 401 N GLY A 58 57.742 0.830 13.260 1.00 33.58 N ATOM 402 CA GLY A 58 57.871 -0.498 13.836 1.00 35.54 C ATOM 403 C GLY A 58 58.016 -1.573 12.776 1.00 37.93 C ATOM 404 O GLY A 58 58.758 -2.543 12.957 1.00 38.69 O ATOM 405 H GLY A 58 56.865 1.373 13.394 1.00 0.00 H ATOM 406 N GLN A 59 57.307 -1.417 11.655 1.00 39.38 N ATOM 407 CA GLN A 59 57.461 -2.350 10.545 1.00 41.99 C ATOM 408 C GLN A 59 58.845 -2.233 9.920 1.00 40.08 C ATOM 409 O GLN A 59 59.449 -3.243 9.542 1.00 40.88 O ATOM 410 CB GLN A 59 56.376 -2.102 9.497 1.00 44.94 C ATOM 411 CG GLN A 59 54.958 -2.312 10.007 1.00 46.83 C ATOM 412 CD GLN A 59 54.641 -3.772 10.262 1.00 50.96 C ATOM 413 OE1 GLN A 59 54.579 -4.577 9.332 1.00 53.81 O ATOM 414 NE2 GLN A 59 54.443 -4.123 11.528 1.00 50.93 N ATOM 415 HE22 GLN A 59 54.505 -3.409 12.281 1.00 0.00 H ATOM 416 HE21 GLN A 59 54.226 -5.112 11.766 1.00 0.00 H ATOM 417 H GLN A 59 56.640 -0.624 11.573 1.00 0.00 H ATOM 418 N TYR A 60 59.361 -1.008 9.806 1.00 36.19 N ATOM 419 CA TYR A 60 60.707 -0.812 9.279 1.00 37.00 C ATOM 420 C TYR A 60 61.742 -1.495 10.164 1.00 37.33 C ATOM 421 O TYR A 60 62.645 -2.179 9.670 1.00 38.05 O ATOM 422 CB TYR A 60 60.998 0.684 9.149 1.00 36.05 C ATOM 423 CG TYR A 60 62.420 1.029 8.761 1.00 35.68 C ATOM 424 CD1 TYR A 60 63.384 1.274 9.730 1.00 33.91 C ATOM 425 CD2 TYR A 60 62.792 1.128 7.427 1.00 36.79 C ATOM 426 CE1 TYR A 60 64.684 1.597 9.381 1.00 32.89 C ATOM 427 CE2 TYR A 60 64.090 1.453 7.069 1.00 36.08 C ATOM 428 CZ TYR A 60 65.030 1.686 8.049 1.00 33.49 C ATOM 429 OH TYR A 60 66.323 2.008 7.699 1.00 32.87 O ATOM 430 HH TYR A 60 66.862 2.141 8.519 1.00 0.00 H ATOM 431 H TYR A 60 58.797 -0.184 10.096 1.00 0.00 H ATOM 432 N ILE A 61 61.620 -1.318 11.482 1.00 36.09 N ATOM 433 CA ILE A 61 62.541 -1.960 12.417 1.00 39.40 C ATOM 434 C ILE A 61 62.510 -3.473 12.243 1.00 44.14 C ATOM 435 O ILE A 61 63.548 -4.143 12.310 1.00 45.83 O ATOM 436 CB ILE A 61 62.203 -1.543 13.862 1.00 38.08 C ATOM 437 CG1 ILE A 61 62.501 -0.057 14.065 1.00 36.40 C ATOM 438 CG2 ILE A 61 62.975 -2.393 14.866 1.00 38.68 C ATOM 439 CD1 ILE A 61 62.060 0.485 15.408 1.00 35.19 C ATOM 440 H ILE A 61 60.857 -0.714 11.849 1.00 0.00 H ATOM 441 N MET A 62 61.323 -4.034 12.001 1.00 46.80 N ATOM 442 CA MET A 62 61.219 -5.470 11.765 1.00 51.75 C ATOM 443 C MET A 62 61.861 -5.857 10.439 1.00 50.91 C ATOM 444 O MET A 62 62.622 -6.829 10.368 1.00 51.45 O ATOM 445 CB MET A 62 59.753 -5.903 11.796 1.00 57.69 C ATOM 446 CG MET A 62 59.132 -5.882 13.177 1.00 63.28 C ATOM 447 SD MET A 62 57.566 -6.767 13.259 1.00 70.82 S ATOM 448 CE MET A 62 58.067 -8.387 12.684 1.00 74.65 C ATOM 449 H MET A 62 60.467 -3.444 11.981 1.00 0.00 H ATOM 450 N THR A 63 61.563 -5.106 9.375 1.00 49.43 N ATOM 451 CA THR A 63 62.086 -5.447 8.056 1.00 50.81 C ATOM 452 C THR A 63 63.606 -5.353 8.022 1.00 49.63 C ATOM 453 O THR A 63 64.279 -6.237 7.478 1.00 50.66 O ATOM 454 CB THR A 63 61.464 -4.536 6.997 1.00 52.96 C ATOM 455 OG1 THR A 63 60.097 -4.911 6.792 1.00 55.82 O ATOM 456 CG2 THR A 63 62.214 -4.654 5.676 1.00 56.45 C ATOM 457 HG1 THR A 63 59.599 -4.818 7.643 1.00 0.00 H ATOM 458 H THR A 63 60.953 -4.271 9.488 1.00 0.00 H ATOM 459 N LYS A 64 64.167 -4.297 8.608 1.00 43.79 N ATOM 460 CA LYS A 64 65.613 -4.137 8.667 1.00 43.66 C ATOM 461 C LYS A 64 66.254 -4.944 9.789 1.00 43.50 C ATOM 462 O LYS A 64 67.480 -4.893 9.939 1.00 41.33 O ATOM 463 CB LYS A 64 65.972 -2.656 8.819 1.00 42.11 C ATOM 464 CG LYS A 64 65.518 -1.790 7.656 1.00 42.93 C ATOM 465 CD LYS A 64 66.243 -2.168 6.373 1.00 45.13 C ATOM 466 CE LYS A 64 67.717 -1.803 6.438 1.00 45.45 C ATOM 467 NZ LYS A 64 67.935 -0.340 6.257 1.00 45.42 N ATOM 468 HZ1 LYS A 64 67.567 -0.048 5.329 1.00 0.00 H ATOM 469 HZ2 LYS A 64 67.437 0.179 7.008 1.00 0.00 H ATOM 470 HZ3 LYS A 64 68.953 -0.134 6.308 1.00 0.00 H ATOM 471 H LYS A 64 63.558 -3.569 9.034 1.00 0.00 H ATOM 472 N ARG A 65 65.462 -5.686 10.564 1.00 45.14 N ATOM 473 CA ARG A 65 65.955 -6.539 11.647 1.00 46.50 C ATOM 474 C ARG A 65 66.831 -5.757 12.623 1.00 42.95 C ATOM 475 O ARG A 65 67.915 -6.192 13.017 1.00 44.08 O ATOM 476 CB ARG A 65 66.697 -7.761 11.097 1.00 52.89 C ATOM 477 CG ARG A 65 66.219 -8.242 9.733 1.00 59.12 C ATOM 478 CD ARG A 65 66.500 -9.721 9.566 1.00 65.09 C ATOM 479 NE ARG A 65 66.212 -10.457 10.792 1.00 68.62 N ATOM 480 CZ ARG A 65 66.871 -11.542 11.186 1.00 74.17 C ATOM 481 NH1 ARG A 65 67.863 -12.019 10.448 1.00 77.53 N ATOM 482 NH2 ARG A 65 66.539 -12.146 12.319 1.00 76.68 N ATOM 483 HE ARG A 65 65.441 -10.110 11.397 1.00 0.00 H ATOM 484 HH12 ARG A 65 68.379 -12.868 10.756 1.00 0.00 H ATOM 485 HH11 ARG A 65 68.126 -11.544 9.561 1.00 0.00 H ATOM 486 HH22 ARG A 65 67.055 -12.995 12.626 1.00 0.00 H ATOM 487 HH21 ARG A 65 65.762 -11.771 12.900 1.00 0.00 H ATOM 488 H ARG A 65 64.437 -5.657 10.389 1.00 0.00 H ATOM 489 N LEU A 66 66.339 -4.588 13.027 1.00 39.74 N ATOM 490 CA LEU A 66 67.068 -3.726 13.946 1.00 36.30 C ATOM 491 C LEU A 66 66.749 -3.998 15.410 1.00 34.99 C ATOM 492 O LEU A 66 67.486 -3.526 16.282 1.00 35.62 O ATOM 493 CB LEU A 66 66.783 -2.254 13.632 1.00 34.88 C ATOM 494 CG LEU A 66 67.140 -1.795 12.220 1.00 34.13 C ATOM 495 CD1 LEU A 66 66.845 -0.313 12.052 1.00 32.39 C ATOM 496 CD2 LEU A 66 68.597 -2.101 11.909 1.00 33.58 C ATOM 497 H LEU A 66 65.409 -4.282 12.677 1.00 0.00 H ATOM 498 N TYR A 67 65.681 -4.734 15.705 1.00 34.60 N ATOM 499 CA TYR A 67 65.381 -5.070 17.089 1.00 33.69 C ATOM 500 C TYR A 67 66.390 -6.083 17.620 1.00 32.08 C ATOM 501 O TYR A 67 66.936 -6.900 16.875 1.00 34.91 O ATOM 502 CB TYR A 67 63.961 -5.623 17.220 1.00 34.88 C ATOM 503 CG TYR A 67 63.562 -5.906 18.652 1.00 35.31 C ATOM 504 CD1 TYR A 67 63.540 -4.891 19.599 1.00 34.99 C ATOM 505 CD2 TYR A 67 63.216 -7.190 19.058 1.00 36.54 C ATOM 506 CE1 TYR A 67 63.183 -5.143 20.911 1.00 35.52 C ATOM 507 CE2 TYR A 67 62.856 -7.452 20.369 1.00 37.06 C ATOM 508 CZ TYR A 67 62.842 -6.425 21.290 1.00 37.53 C ATOM 509 OH TYR A 67 62.485 -6.681 22.594 1.00 39.23 O ATOM 510 HH TYR A 67 61.563 -7.040 22.618 1.00 0.00 H ATOM 511 H TYR A 67 65.058 -5.071 14.944 1.00 0.00 H ATOM 512 N ASP A 68 66.639 -6.011 18.927 1.00 28.80 N ATOM 513 CA ASP A 68 67.603 -6.894 19.573 1.00 28.07 C ATOM 514 C ASP A 68 67.177 -8.348 19.426 1.00 28.24 C ATOM 515 O ASP A 68 66.069 -8.722 19.823 1.00 28.15 O ATOM 516 CB ASP A 68 67.731 -6.520 21.049 1.00 28.07 C ATOM 517 CG ASP A 68 68.658 -7.444 21.816 1.00 29.60 C ATOM 518 OD1 ASP A 68 69.516 -8.103 21.190 1.00 30.99 O ATOM 519 OD2 ASP A 68 68.522 -7.513 23.057 1.00 29.70 O ATOM 520 H ASP A 68 66.133 -5.307 19.501 1.00 0.00 H ATOM 521 N GLU A 69 68.066 -9.167 18.854 1.00 29.90 N ATOM 522 CA GLU A 69 67.796 -10.597 18.743 1.00 32.59 C ATOM 523 C GLU A 69 67.622 -11.241 20.112 1.00 31.82 C ATOM 524 O GLU A 69 66.921 -12.252 20.239 1.00 33.38 O ATOM 525 CB GLU A 69 68.925 -11.281 17.971 1.00 35.59 C ATOM 526 CG GLU A 69 68.540 -12.611 17.341 1.00 40.01 C ATOM 527 CD GLU A 69 69.622 -13.163 16.430 1.00 43.68 C ATOM 528 OE1 GLU A 69 70.819 -13.006 16.753 1.00 44.20 O ATOM 529 OE2 GLU A 69 69.272 -13.755 15.387 1.00 46.20 O ATOM 530 H GLU A 69 68.958 -8.781 18.485 1.00 0.00 H ATOM 531 N LYS A 70 68.244 -10.671 21.142 1.00 30.87 N ATOM 532 CA LYS A 70 68.152 -11.179 22.504 1.00 31.02 C ATOM 533 C LYS A 70 66.943 -10.635 23.258 1.00 29.18 C ATOM 534 O LYS A 70 66.828 -10.868 24.466 1.00 29.28 O ATOM 535 CB LYS A 70 69.439 -10.857 23.268 1.00 31.76 C ATOM 536 CG LYS A 70 70.691 -11.411 22.609 1.00 34.68 C ATOM 537 CD LYS A 70 71.892 -11.324 23.532 1.00 36.67 C ATOM 538 CE LYS A 70 73.043 -12.162 23.009 1.00 39.32 C ATOM 539 NZ LYS A 70 73.486 -11.702 21.666 1.00 40.86 N ATOM 540 HZ1 LYS A 70 72.693 -11.776 20.997 1.00 0.00 H ATOM 541 HZ2 LYS A 70 73.799 -10.712 21.726 1.00 0.00 H ATOM 542 HZ3 LYS A 70 74.274 -12.297 21.339 1.00 0.00 H ATOM 543 H LYS A 70 68.822 -9.824 20.966 1.00 0.00 H ATOM 544 N GLN A 71 66.059 -9.901 22.575 1.00 29.81 N ATOM 545 CA GLN A 71 64.737 -9.526 23.089 1.00 31.38 C ATOM 546 C GLN A 71 64.808 -8.691 24.365 1.00 31.68 C ATOM 547 O GLN A 71 63.950 -8.809 25.243 1.00 32.27 O ATOM 548 CB GLN A 71 63.864 -10.764 23.319 1.00 33.55 C ATOM 549 CG GLN A 71 64.033 -11.841 22.264 1.00 35.39 C ATOM 550 CD GLN A 71 63.352 -11.480 20.964 1.00 37.07 C ATOM 551 OE1 GLN A 71 63.880 -11.732 19.880 1.00 39.54 O ATOM 552 NE2 GLN A 71 62.174 -10.877 21.064 1.00 35.86 N ATOM 553 HE22 GLN A 71 61.766 -10.684 22.001 1.00 0.00 H ATOM 554 HE21 GLN A 71 61.658 -10.597 20.205 1.00 0.00 H ATOM 555 H GLN A 71 66.324 -9.577 21.623 1.00 0.00 H ATOM 556 N GLN A 72 65.809 -7.818 24.480 1.00 29.74 N ATOM 557 CA GLN A 72 65.970 -6.985 25.666 1.00 28.99 C ATOM 558 C GLN A 72 65.385 -5.587 25.479 1.00 30.68 C ATOM 559 O GLN A 72 65.878 -4.625 26.079 1.00 29.29 O ATOM 560 CB GLN A 72 67.443 -6.904 26.068 1.00 27.76 C ATOM 561 CG GLN A 72 68.082 -8.261 26.332 1.00 27.70 C ATOM 562 CD GLN A 72 67.469 -8.967 27.524 1.00 28.91 C ATOM 563 OE1 GLN A 72 66.781 -9.979 27.375 1.00 31.82 O ATOM 564 NE2 GLN A 72 67.706 -8.431 28.714 1.00 28.50 N ATOM 565 HE22 GLN A 72 68.293 -7.576 28.792 1.00 0.00 H ATOM 566 HE21 GLN A 72 67.305 -8.866 29.569 1.00 0.00 H ATOM 567 H GLN A 72 66.494 -7.729 23.702 1.00 0.00 H ATOM 568 N HIS A 73 64.347 -5.460 24.648 1.00 32.30 N ATOM 569 CA HIS A 73 63.575 -4.221 24.508 1.00 33.19 C ATOM 570 C HIS A 73 64.452 -3.049 24.076 1.00 33.92 C ATOM 571 O HIS A 73 64.297 -1.926 24.557 1.00 32.26 O ATOM 572 CB HIS A 73 62.832 -3.889 25.803 1.00 33.39 C ATOM 573 CG HIS A 73 62.136 -5.063 26.415 1.00 36.75 C ATOM 574 ND1 HIS A 73 60.902 -5.502 25.987 1.00 38.63 N ATOM 575 CD2 HIS A 73 62.504 -5.894 27.419 1.00 38.13 C ATOM 576 CE1 HIS A 73 60.538 -6.552 26.702 1.00 40.37 C ATOM 577 NE2 HIS A 73 61.493 -6.811 27.578 1.00 39.89 N ATOM 578 H HIS A 73 64.073 -6.281 24.071 1.00 0.00 H ATOM 579 N ILE A 74 65.375 -3.307 23.156 1.00 34.99 N ATOM 580 CA ILE A 74 66.292 -2.284 22.670 1.00 33.49 C ATOM 581 C ILE A 74 66.429 -2.427 21.160 1.00 33.36 C ATOM 582 O ILE A 74 66.542 -3.540 20.637 1.00 34.53 O ATOM 583 CB ILE A 74 67.662 -2.376 23.379 1.00 34.14 C ATOM 584 CG1 ILE A 74 68.651 -1.371 22.790 1.00 33.84 C ATOM 585 CG2 ILE A 74 68.221 -3.788 23.307 1.00 37.75 C ATOM 586 CD1 ILE A 74 69.949 -1.285 23.559 1.00 37.47 C ATOM 587 H ILE A 74 65.445 -4.270 22.770 1.00 0.00 H ATOM 588 N VAL A 75 66.384 -1.295 20.459 1.00 31.58 N ATOM 589 CA VAL A 75 66.579 -1.243 19.014 1.00 30.25 C ATOM 590 C VAL A 75 67.991 -0.746 18.746 1.00 30.70 C ATOM 591 O VAL A 75 68.394 0.298 19.269 1.00 27.76 O ATOM 592 CB VAL A 75 65.543 -0.325 18.341 1.00 29.77 C ATOM 593 CG1 VAL A 75 65.964 -0.004 16.912 1.00 30.03 C ATOM 594 CG2 VAL A 75 64.163 -0.960 18.365 1.00 30.21 C ATOM 595 H VAL A 75 66.201 -0.406 20.966 1.00 0.00 H ATOM 596 N TYR A 76 68.742 -1.488 17.937 1.00 31.92 N ATOM 597 CA TYR A 76 70.113 -1.124 17.580 1.00 32.09 C ATOM 598 C TYR A 76 70.084 -0.474 16.202 1.00 32.64 C ATOM 599 O TYR A 76 70.071 -1.162 15.178 1.00 33.90 O ATOM 600 CB TYR A 76 71.021 -2.349 17.608 1.00 31.97 C ATOM 601 CG TYR A 76 71.214 -2.926 18.991 1.00 32.83 C ATOM 602 CD1 TYR A 76 71.921 -2.229 19.961 1.00 33.35 C ATOM 603 CD2 TYR A 76 70.688 -4.167 19.328 1.00 32.93 C ATOM 604 CE1 TYR A 76 72.102 -2.751 21.226 1.00 33.66 C ATOM 605 CE2 TYR A 76 70.864 -4.698 20.592 1.00 32.90 C ATOM 606 CZ TYR A 76 71.571 -3.985 21.537 1.00 33.65 C ATOM 607 OH TYR A 76 71.749 -4.505 22.799 1.00 34.70 O ATOM 608 HH TYR A 76 72.275 -3.869 23.346 1.00 0.00 H ATOM 609 H TYR A 76 68.338 -2.362 17.543 1.00 0.00 H ATOM 610 N CYS A 77 70.083 0.858 16.177 1.00 33.19 N ATOM 611 CA CYS A 77 69.925 1.614 14.942 1.00 33.01 C ATOM 612 C CYS A 77 71.209 2.278 14.465 1.00 33.93 C ATOM 613 O CYS A 77 71.167 3.026 13.483 1.00 33.23 O ATOM 614 CB CYS A 77 68.827 2.671 15.112 1.00 31.69 C ATOM 615 SG CYS A 77 68.956 3.647 16.627 1.00 32.21 S ATOM 616 H CYS A 77 70.199 1.376 17.071 1.00 0.00 H ATOM 617 N SER A 78 72.342 2.028 15.122 1.00 35.19 N ATOM 618 CA SER A 78 73.614 2.574 14.662 1.00 39.19 C ATOM 619 C SER A 78 73.873 2.195 13.213 1.00 38.78 C ATOM 620 O SER A 78 73.594 1.071 12.790 1.00 38.06 O ATOM 621 CB SER A 78 74.770 2.065 15.523 1.00 45.62 C ATOM 622 OG SER A 78 74.956 2.869 16.667 1.00 50.72 O ATOM 623 HG SER A 78 75.158 3.797 16.387 1.00 0.00 H ATOM 624 H SER A 78 72.318 1.434 15.976 1.00 0.00 H ATOM 625 N ASN A 79 74.420 3.147 12.459 1.00 38.21 N ATOM 626 CA ASN A 79 74.844 2.938 11.078 1.00 38.56 C ATOM 627 C ASN A 79 73.692 2.520 10.170 1.00 37.21 C ATOM 628 O ASN A 79 73.916 1.936 9.107 1.00 37.77 O ATOM 629 CB ASN A 79 75.988 1.920 11.010 1.00 40.10 C ATOM 630 CG ASN A 79 76.966 2.070 12.164 1.00 40.34 C ATOM 631 OD1 ASN A 79 77.610 3.111 12.310 1.00 41.27 O ATOM 632 ND2 ASN A 79 77.092 1.033 12.979 1.00 39.24 N ATOM 633 HD22 ASN A 79 76.528 0.174 12.818 1.00 0.00 H ATOM 634 HD21 ASN A 79 77.755 1.078 13.779 1.00 0.00 H ATOM 635 H ASN A 79 74.552 4.090 12.877 1.00 0.00 H ATOM 636 N ASP A 80 72.459 2.795 10.582 1.00 36.47 N ATOM 637 CA ASP A 80 71.281 2.661 9.740 1.00 37.39 C ATOM 638 C ASP A 80 70.608 4.024 9.648 1.00 37.44 C ATOM 639 O ASP A 80 70.838 4.902 10.485 1.00 35.76 O ATOM 640 CB ASP A 80 70.311 1.600 10.293 1.00 36.59 C ATOM 641 CG ASP A 80 69.064 1.436 9.440 1.00 37.06 C ATOM 642 OD1 ASP A 80 68.079 2.166 9.674 1.00 35.78 O ATOM 643 OD2 ASP A 80 69.067 0.579 8.533 1.00 38.34 O ATOM 644 H ASP A 80 72.329 3.124 11.560 1.00 0.00 H ATOM 645 N LEU A 81 69.785 4.204 8.609 1.00 39.48 N ATOM 646 CA LEU A 81 69.106 5.484 8.426 1.00 41.39 C ATOM 647 C LEU A 81 68.312 5.876 9.665 1.00 39.34 C ATOM 648 O LEU A 81 68.233 7.063 10.002 1.00 40.17 O ATOM 649 CB LEU A 81 68.190 5.431 7.201 1.00 44.39 C ATOM 650 CG LEU A 81 67.258 6.624 6.954 1.00 47.31 C ATOM 651 CD1 LEU A 81 68.025 7.948 6.902 1.00 47.94 C ATOM 652 CD2 LEU A 81 66.436 6.417 5.686 1.00 49.91 C ATOM 653 H LEU A 81 69.628 3.431 7.931 1.00 0.00 H ATOM 654 N LEU A 82 67.726 4.898 10.360 1.00 37.08 N ATOM 655 CA LEU A 82 66.987 5.200 11.582 1.00 35.06 C ATOM 656 C LEU A 82 67.896 5.823 12.634 1.00 32.88 C ATOM 657 O LEU A 82 67.499 6.764 13.330 1.00 34.16 O ATOM 658 CB LEU A 82 66.327 3.931 12.126 1.00 34.02 C ATOM 659 CG LEU A 82 65.454 4.102 13.373 1.00 34.88 C ATOM 660 CD1 LEU A 82 64.358 5.129 13.131 1.00 35.69 C ATOM 661 CD2 LEU A 82 64.859 2.768 13.788 1.00 35.49 C ATOM 662 H LEU A 82 67.797 3.915 10.029 1.00 0.00 H ATOM 663 N GLY A 83 69.120 5.312 12.764 1.00 30.63 N ATOM 664 CA GLY A 83 70.063 5.922 13.685 1.00 30.94 C ATOM 665 C GLY A 83 70.475 7.314 13.251 1.00 32.21 C ATOM 666 O GLY A 83 70.704 8.192 14.087 1.00 31.34 O ATOM 667 H GLY A 83 69.399 4.479 12.208 1.00 0.00 H ATOM 668 N ASP A 84 70.579 7.534 11.937 1.00 34.83 N ATOM 669 CA ASP A 84 70.847 8.876 11.431 1.00 38.21 C ATOM 670 C ASP A 84 69.708 9.825 11.778 1.00 38.15 C ATOM 671 O ASP A 84 69.943 10.973 12.177 1.00 37.83 O ATOM 672 CB ASP A 84 71.062 8.836 9.916 1.00 41.51 C ATOM 673 CG ASP A 84 72.266 8.000 9.516 1.00 43.46 C ATOM 674 OD1 ASP A 84 73.135 7.753 10.377 1.00 43.08 O ATOM 675 OD2 ASP A 84 72.342 7.591 8.337 1.00 44.48 O ATOM 676 H ASP A 84 70.468 6.743 11.271 1.00 0.00 H ATOM 677 N LEU A 85 68.465 9.360 11.638 1.00 38.03 N ATOM 678 CA LEU A 85 67.314 10.210 11.922 1.00 39.53 C ATOM 679 C LEU A 85 67.178 10.486 13.413 1.00 37.48 C ATOM 680 O LEU A 85 66.921 11.625 13.819 1.00 39.87 O ATOM 681 CB LEU A 85 66.039 9.556 11.392 1.00 41.71 C ATOM 682 CG LEU A 85 65.925 9.437 9.877 1.00 44.96 C ATOM 683 CD1 LEU A 85 64.522 9.022 9.481 1.00 45.62 C ATOM 684 CD2 LEU A 85 66.295 10.758 9.240 1.00 49.04 C ATOM 685 H LEU A 85 68.315 8.380 11.323 1.00 0.00 H ATOM 686 N PHE A 86 67.337 9.454 14.240 1.00 34.13 N ATOM 687 CA PHE A 86 67.081 9.584 15.667 1.00 33.00 C ATOM 688 C PHE A 86 68.245 10.208 16.421 1.00 34.37 C ATOM 689 O PHE A 86 68.043 10.722 17.526 1.00 36.11 O ATOM 690 CB PHE A 86 66.747 8.212 16.256 1.00 33.25 C ATOM 691 CG PHE A 86 65.302 7.818 16.097 1.00 31.46 C ATOM 692 CD1 PHE A 86 64.444 8.579 15.319 1.00 30.27 C ATOM 693 CD2 PHE A 86 64.808 6.680 16.712 1.00 31.26 C ATOM 694 CE1 PHE A 86 63.117 8.220 15.169 1.00 30.65 C ATOM 695 CE2 PHE A 86 63.480 6.313 16.564 1.00 30.94 C ATOM 696 CZ PHE A 86 62.635 7.087 15.791 1.00 30.46 C ATOM 697 H PHE A 86 67.650 8.538 13.859 1.00 0.00 H ATOM 698 N GLY A 87 69.448 10.185 15.851 1.00 33.36 N ATOM 699 CA GLY A 87 70.601 10.740 16.529 1.00 33.17 C ATOM 700 C GLY A 87 71.091 9.923 17.699 1.00 33.25 C ATOM 701 O GLY A 87 71.744 10.468 18.593 1.00 33.81 O ATOM 702 H GLY A 87 69.561 9.763 14.907 1.00 0.00 H ATOM 703 N VAL A 88 70.791 8.626 17.724 1.00 31.35 N ATOM 704 CA VAL A 88 71.191 7.760 18.835 1.00 30.74 C ATOM 705 C VAL A 88 71.707 6.444 18.280 1.00 29.03 C ATOM 706 O VAL A 88 71.305 5.993 17.202 1.00 27.97 O ATOM 707 CB VAL A 88 70.016 7.489 19.803 1.00 30.15 C ATOM 708 CG1 VAL A 88 69.610 8.765 20.531 1.00 31.11 C ATOM 709 CG2 VAL A 88 68.831 6.897 19.054 1.00 28.72 C ATOM 710 H VAL A 88 70.257 8.216 16.931 1.00 0.00 H ATOM 711 N PRO A 89 72.628 5.808 19.010 1.00 29.70 N ATOM 712 CA PRO A 89 73.086 4.479 18.579 1.00 30.89 C ATOM 713 C PRO A 89 72.056 3.396 18.833 1.00 30.82 C ATOM 714 O PRO A 89 72.033 2.388 18.115 1.00 29.47 O ATOM 715 CB PRO A 89 74.353 4.260 19.415 1.00 33.16 C ATOM 716 CG PRO A 89 74.099 5.039 20.660 1.00 33.64 C ATOM 717 CD PRO A 89 73.324 6.262 20.227 1.00 31.96 C ATOM 718 N SER A 90 71.201 3.585 19.833 1.00 30.95 N ATOM 719 CA SER A 90 70.202 2.611 20.241 1.00 31.53 C ATOM 720 C SER A 90 69.226 3.314 21.170 1.00 30.87 C ATOM 721 O SER A 90 69.494 4.418 21.653 1.00 31.95 O ATOM 722 CB SER A 90 70.842 1.404 20.933 1.00 33.01 C ATOM 723 OG SER A 90 71.489 1.795 22.131 1.00 35.52 O ATOM 724 HG SER A 90 70.827 2.201 22.745 1.00 0.00 H ATOM 725 H SER A 90 71.250 4.483 20.355 1.00 0.00 H ATOM 726 N PHE A 91 68.087 2.670 21.409 1.00 28.94 N ATOM 727 CA PHE A 91 67.096 3.231 22.316 1.00 30.25 C ATOM 728 C PHE A 91 66.199 2.115 22.826 1.00 31.26 C ATOM 729 O PHE A 91 66.138 1.025 22.249 1.00 31.13 O ATOM 730 CB PHE A 91 66.265 4.337 21.644 1.00 30.26 C ATOM 731 CG PHE A 91 65.485 3.875 20.440 1.00 31.00 C ATOM 732 CD1 PHE A 91 64.187 3.403 20.575 1.00 32.86 C ATOM 733 CD2 PHE A 91 66.045 3.923 19.172 1.00 30.52 C ATOM 734 CE1 PHE A 91 63.465 2.978 19.471 1.00 31.04 C ATOM 735 CE2 PHE A 91 65.329 3.500 18.063 1.00 29.74 C ATOM 736 CZ PHE A 91 64.036 3.028 18.214 1.00 29.89 C ATOM 737 H PHE A 91 67.903 1.758 20.944 1.00 0.00 H ATOM 738 N SER A 92 65.506 2.405 23.924 1.00 32.04 N ATOM 739 CA SER A 92 64.570 1.468 24.526 1.00 33.13 C ATOM 740 C SER A 92 63.199 1.631 23.886 1.00 32.12 C ATOM 741 O SER A 92 62.725 2.756 23.694 1.00 30.24 O ATOM 742 CB SER A 92 64.477 1.694 26.035 1.00 35.37 C ATOM 743 OG SER A 92 63.416 0.940 26.598 1.00 36.47 O ATOM 744 HG SER A 92 63.378 1.104 27.574 1.00 0.00 H ATOM 745 H SER A 92 65.638 3.336 24.368 1.00 0.00 H ATOM 746 N VAL A 93 62.567 0.502 23.551 1.00 31.37 N ATOM 747 CA VAL A 93 61.208 0.538 23.016 1.00 31.81 C ATOM 748 C VAL A 93 60.174 0.795 24.095 1.00 33.49 C ATOM 749 O VAL A 93 58.990 0.963 23.778 1.00 34.87 O ATOM 750 CB VAL A 93 60.858 -0.774 22.289 1.00 34.06 C ATOM 751 CG1 VAL A 93 61.850 -1.041 21.171 1.00 34.73 C ATOM 752 CG2 VAL A 93 60.832 -1.934 23.272 1.00 35.68 C ATOM 753 H VAL A 93 63.048 -0.412 23.672 1.00 0.00 H ATOM 754 N LYS A 94 60.586 0.833 25.360 1.00 34.46 N ATOM 755 CA LYS A 94 59.679 1.092 26.468 1.00 39.63 C ATOM 756 C LYS A 94 59.464 2.576 26.736 1.00 41.85 C ATOM 757 O LYS A 94 58.562 2.923 27.507 1.00 42.15 O ATOM 758 CB LYS A 94 60.206 0.430 27.744 1.00 43.32 C ATOM 759 CG LYS A 94 60.193 -1.085 27.717 1.00 46.59 C ATOM 760 CD LYS A 94 60.389 -1.652 29.115 1.00 51.92 C ATOM 761 CE LYS A 94 61.111 -2.990 29.081 1.00 55.27 C ATOM 762 NZ LYS A 94 62.174 -3.075 30.121 1.00 59.51 N ATOM 763 HZ1 LYS A 94 62.874 -2.323 29.962 1.00 0.00 H ATOM 764 HZ2 LYS A 94 61.747 -2.959 31.062 1.00 0.00 H ATOM 765 HZ3 LYS A 94 62.641 -4.003 30.063 1.00 0.00 H ATOM 766 H LYS A 94 61.593 0.672 25.564 1.00 0.00 H ATOM 767 N GLU A 95 60.258 3.455 26.129 1.00 43.61 N ATOM 768 CA GLU A 95 60.232 4.888 26.421 1.00 47.74 C ATOM 769 C GLU A 95 59.554 5.615 25.260 1.00 44.60 C ATOM 770 O GLU A 95 60.207 6.152 24.364 1.00 42.36 O ATOM 771 CB GLU A 95 61.657 5.393 26.674 1.00 52.56 C ATOM 772 CG GLU A 95 62.182 5.068 28.067 1.00 59.71 C ATOM 773 CD GLU A 95 63.689 4.903 28.108 1.00 66.14 C ATOM 774 OE1 GLU A 95 64.390 5.642 27.385 1.00 69.01 O ATOM 775 OE2 GLU A 95 64.172 4.041 28.872 1.00 70.93 O ATOM 776 H GLU A 95 60.928 3.107 25.414 1.00 0.00 H ATOM 777 N HIS A 96 58.217 5.647 25.298 1.00 39.50 N ATOM 778 CA HIS A 96 57.442 6.166 24.172 1.00 35.30 C ATOM 779 C HIS A 96 57.637 7.668 23.992 1.00 32.18 C ATOM 780 O HIS A 96 57.739 8.151 22.858 1.00 30.00 O ATOM 781 CB HIS A 96 55.957 5.853 24.358 1.00 34.90 C ATOM 782 CG HIS A 96 55.620 4.398 24.250 1.00 35.57 C ATOM 783 ND1 HIS A 96 54.335 3.952 24.030 1.00 36.82 N ATOM 784 CD2 HIS A 96 56.391 3.289 24.353 1.00 36.50 C ATOM 785 CE1 HIS A 96 54.330 2.632 23.989 1.00 37.51 C ATOM 786 NE2 HIS A 96 55.565 2.204 24.184 1.00 37.93 N ATOM 787 H HIS A 96 57.721 5.297 26.142 1.00 0.00 H ATOM 788 N ARG A 97 57.675 8.424 25.092 1.00 32.54 N ATOM 789 CA ARG A 97 57.841 9.872 24.986 1.00 32.81 C ATOM 790 C ARG A 97 59.155 10.235 24.298 1.00 33.31 C ATOM 791 O ARG A 97 59.191 11.142 23.457 1.00 35.37 O ATOM 792 CB ARG A 97 57.756 10.510 26.373 1.00 34.08 C ATOM 793 CG ARG A 97 58.057 12.005 26.406 1.00 34.47 C ATOM 794 CD ARG A 97 57.206 12.787 25.414 1.00 33.14 C ATOM 795 NE ARG A 97 55.778 12.564 25.619 1.00 34.26 N ATOM 796 CZ ARG A 97 54.835 12.948 24.765 1.00 35.07 C ATOM 797 NH1 ARG A 97 55.170 13.577 23.647 1.00 34.79 N ATOM 798 NH2 ARG A 97 53.559 12.702 25.027 1.00 35.84 N ATOM 799 HE ARG A 97 55.480 12.074 26.487 1.00 0.00 H ATOM 800 HH12 ARG A 97 54.432 13.878 22.978 1.00 0.00 H ATOM 801 HH11 ARG A 97 56.171 13.770 23.439 1.00 0.00 H ATOM 802 HH22 ARG A 97 52.823 13.004 24.357 1.00 0.00 H ATOM 803 HH21 ARG A 97 53.294 12.207 25.903 1.00 0.00 H ATOM 804 H ARG A 97 57.586 7.980 26.028 1.00 0.00 H ATOM 805 N LYS A 98 60.245 9.540 24.635 1.00 33.15 N ATOM 806 CA LYS A 98 61.523 9.819 23.986 1.00 35.30 C ATOM 807 C LYS A 98 61.495 9.415 22.516 1.00 31.35 C ATOM 808 O LYS A 98 62.118 10.074 21.676 1.00 29.18 O ATOM 809 CB LYS A 98 62.644 9.111 24.744 1.00 40.62 C ATOM 810 CG LYS A 98 62.770 9.652 26.160 1.00 46.73 C ATOM 811 CD LYS A 98 63.033 8.540 27.169 1.00 54.57 C ATOM 812 CE LYS A 98 63.323 9.042 28.593 1.00 59.61 C ATOM 813 NZ LYS A 98 64.353 8.247 29.337 1.00 60.81 N ATOM 814 HZ1 LYS A 98 64.033 7.261 29.423 1.00 0.00 H ATOM 815 HZ2 LYS A 98 65.253 8.276 28.817 1.00 0.00 H ATOM 816 HZ3 LYS A 98 64.485 8.654 30.285 1.00 0.00 H ATOM 817 H LYS A 98 60.183 8.798 25.361 1.00 0.00 H ATOM 818 N ILE A 99 60.762 8.349 22.184 1.00 29.15 N ATOM 819 CA ILE A 99 60.614 7.957 20.786 1.00 28.32 C ATOM 820 C ILE A 99 59.787 8.990 20.029 1.00 28.57 C ATOM 821 O ILE A 99 60.124 9.368 18.901 1.00 29.37 O ATOM 822 CB ILE A 99 60.001 6.548 20.693 1.00 27.35 C ATOM 823 CG1 ILE A 99 60.999 5.499 21.188 1.00 27.01 C ATOM 824 CG2 ILE A 99 59.577 6.240 19.266 1.00 28.68 C ATOM 825 CD1 ILE A 99 60.400 4.110 21.357 1.00 27.19 C ATOM 826 H ILE A 99 60.293 7.794 22.928 1.00 0.00 H ATOM 827 N TYR A 100 58.695 9.467 20.636 1.00 27.56 N ATOM 828 CA TYR A 100 57.901 10.518 20.005 1.00 29.02 C ATOM 829 C TYR A 100 58.734 11.772 19.777 1.00 29.51 C ATOM 830 O TYR A 100 58.648 12.396 18.713 1.00 31.21 O ATOM 831 CB TYR A 100 56.675 10.840 20.861 1.00 31.09 C ATOM 832 CG TYR A 100 55.408 10.154 20.399 1.00 33.56 C ATOM 833 CD1 TYR A 100 55.292 8.771 20.433 1.00 34.76 C ATOM 834 CD2 TYR A 100 54.331 10.890 19.921 1.00 33.59 C ATOM 835 CE1 TYR A 100 54.137 8.138 20.010 1.00 35.17 C ATOM 836 CE2 TYR A 100 53.172 10.266 19.493 1.00 33.64 C ATOM 837 CZ TYR A 100 53.080 8.892 19.540 1.00 34.59 C ATOM 838 OH TYR A 100 51.927 8.268 19.116 1.00 34.62 O ATOM 839 HH TYR A 100 52.027 7.288 19.216 1.00 0.00 H ATOM 840 H TYR A 100 58.410 9.088 21.562 1.00 0.00 H ATOM 841 N THR A 101 59.551 12.151 20.762 1.00 27.98 N ATOM 842 CA THR A 101 60.396 13.335 20.625 1.00 28.66 C ATOM 843 C THR A 101 61.371 13.184 19.464 1.00 27.45 C ATOM 844 O THR A 101 61.561 14.114 18.671 1.00 27.55 O ATOM 845 CB THR A 101 61.154 13.587 21.929 1.00 31.02 C ATOM 846 OG1 THR A 101 60.221 13.845 22.986 1.00 33.94 O ATOM 847 CG2 THR A 101 62.103 14.772 21.782 1.00 30.85 C ATOM 848 HG1 THR A 101 59.625 13.062 23.097 1.00 0.00 H ATOM 849 H THR A 101 59.587 11.595 21.640 1.00 0.00 H ATOM 850 N MET A 102 62.001 12.012 19.351 1.00 27.57 N ATOM 851 CA MET A 102 62.940 11.773 18.259 1.00 27.13 C ATOM 852 C MET A 102 62.237 11.832 16.908 1.00 26.80 C ATOM 853 O MET A 102 62.792 12.347 15.930 1.00 27.01 O ATOM 854 CB MET A 102 63.623 10.421 18.458 1.00 27.83 C ATOM 855 CG MET A 102 64.567 10.380 19.650 1.00 29.75 C ATOM 856 SD MET A 102 65.626 8.919 19.678 1.00 31.50 S ATOM 857 CE MET A 102 64.436 7.655 20.131 1.00 30.74 C ATOM 858 H MET A 102 61.821 11.262 20.048 1.00 0.00 H ATOM 859 N ILE A 103 61.007 11.318 16.840 1.00 25.93 N ATOM 860 CA ILE A 103 60.237 11.383 15.602 1.00 27.42 C ATOM 861 C ILE A 103 59.793 12.814 15.322 1.00 30.04 C ATOM 862 O ILE A 103 59.781 13.262 14.169 1.00 32.08 O ATOM 863 CB ILE A 103 59.037 10.421 15.675 1.00 27.48 C ATOM 864 CG1 ILE A 103 59.512 8.975 15.820 1.00 28.14 C ATOM 865 CG2 ILE A 103 58.154 10.567 14.445 1.00 27.83 C ATOM 866 CD1 ILE A 103 58.427 8.024 16.293 1.00 25.93 C ATOM 867 H ILE A 103 60.592 10.866 17.680 1.00 0.00 H ATOM 868 N TYR A 104 59.428 13.558 16.372 1.00 29.65 N ATOM 869 CA TYR A 104 58.922 14.915 16.188 1.00 31.34 C ATOM 870 C TYR A 104 59.945 15.820 15.511 1.00 29.87 C ATOM 871 O TYR A 104 59.570 16.711 14.740 1.00 27.81 O ATOM 872 CB TYR A 104 58.508 15.507 17.535 1.00 34.09 C ATOM 873 CG TYR A 104 57.087 15.191 17.936 1.00 35.62 C ATOM 874 CD1 TYR A 104 56.046 15.310 17.026 1.00 37.20 C ATOM 875 CD2 TYR A 104 56.786 14.773 19.226 1.00 34.99 C ATOM 876 CE1 TYR A 104 54.746 15.022 17.388 1.00 37.58 C ATOM 877 CE2 TYR A 104 55.490 14.480 19.596 1.00 34.55 C ATOM 878 CZ TYR A 104 54.474 14.608 18.674 1.00 36.38 C ATOM 879 OH TYR A 104 53.181 14.321 19.039 1.00 37.36 O ATOM 880 HH TYR A 104 52.909 14.916 19.782 1.00 0.00 H ATOM 881 H TYR A 104 59.506 13.165 17.332 1.00 0.00 H ATOM 882 N ARG A 105 61.235 15.611 15.782 1.00 29.45 N ATOM 883 CA ARG A 105 62.272 16.409 15.139 1.00 32.30 C ATOM 884 C ARG A 105 62.390 16.138 13.646 1.00 32.01 C ATOM 885 O ARG A 105 63.101 16.876 12.957 1.00 32.32 O ATOM 886 CB ARG A 105 63.630 16.153 15.796 1.00 35.96 C ATOM 887 CG ARG A 105 63.660 16.316 17.300 1.00 39.62 C ATOM 888 CD ARG A 105 65.089 16.202 17.804 1.00 44.26 C ATOM 889 NE ARG A 105 65.224 16.618 19.196 1.00 48.51 N ATOM 890 CZ ARG A 105 65.520 15.793 20.195 1.00 52.87 C ATOM 891 NH1 ARG A 105 65.626 16.260 21.431 1.00 58.24 N ATOM 892 NH2 ARG A 105 65.712 14.501 19.958 1.00 52.15 N ATOM 893 HE ARG A 105 65.080 17.623 19.420 1.00 0.00 H ATOM 894 HH12 ARG A 105 65.858 15.614 22.213 1.00 0.00 H ATOM 895 HH11 ARG A 105 65.478 17.272 21.619 1.00 0.00 H ATOM 896 HH22 ARG A 105 65.944 13.857 20.741 1.00 0.00 H ATOM 897 HH21 ARG A 105 65.631 14.132 18.989 1.00 0.00 H ATOM 898 H ARG A 105 61.504 14.870 16.460 1.00 0.00 H ATOM 899 N ASN A 106 61.726 15.103 13.130 1.00 32.67 N ATOM 900 CA ASN A 106 61.840 14.710 11.732 1.00 32.24 C ATOM 901 C ASN A 106 60.549 14.944 10.954 1.00 32.77 C ATOM 902 O ASN A 106 60.306 14.287 9.940 1.00 33.15 O ATOM 903 CB ASN A 106 62.257 13.246 11.624 1.00 32.12 C ATOM 904 CG ASN A 106 63.701 13.027 12.004 1.00 32.41 C ATOM 905 OD1 ASN A 106 64.592 13.099 11.159 1.00 33.12 O ATOM 906 ND2 ASN A 106 63.943 12.760 13.283 1.00 32.95 N ATOM 907 HD22 ASN A 106 63.156 12.709 13.961 1.00 0.00 H ATOM 908 HD21 ASN A 106 64.919 12.602 13.606 1.00 0.00 H ATOM 909 H ASN A 106 61.100 14.553 13.752 1.00 0.00 H ATOM 910 N LEU A 107 59.714 15.876 11.406 1.00 32.96 N ATOM 911 CA LEU A 107 58.449 16.124 10.729 1.00 34.49 C ATOM 912 C LEU A 107 57.989 17.545 11.020 1.00 35.82 C ATOM 913 O LEU A 107 58.550 18.246 11.866 1.00 33.88 O ATOM 914 CB LEU A 107 57.380 15.108 11.149 1.00 35.22 C ATOM 915 CG LEU A 107 57.145 14.854 12.643 1.00 34.45 C ATOM 916 CD1 LEU A 107 56.265 15.927 13.279 1.00 35.56 C ATOM 917 CD2 LEU A 107 56.531 13.481 12.841 1.00 33.35 C ATOM 918 H LEU A 107 59.967 16.431 12.248 1.00 0.00 H ATOM 919 N VAL A 108 56.946 17.951 10.303 1.00 37.46 N ATOM 920 CA VAL A 108 56.253 19.210 10.531 1.00 37.62 C ATOM 921 C VAL A 108 54.819 18.884 10.917 1.00 37.54 C ATOM 922 O VAL A 108 54.140 18.124 10.216 1.00 36.74 O ATOM 923 CB VAL A 108 56.289 20.116 9.286 1.00 39.38 C ATOM 924 CG1 VAL A 108 55.447 21.367 9.511 1.00 41.92 C ATOM 925 CG2 VAL A 108 57.723 20.479 8.936 1.00 39.76 C ATOM 926 H VAL A 108 56.607 17.335 9.537 1.00 0.00 H ATOM 927 N VAL A 109 54.364 19.444 12.037 1.00 39.15 N ATOM 928 CA VAL A 109 52.969 19.287 12.426 1.00 40.40 C ATOM 929 C VAL A 109 52.097 20.091 11.473 1.00 43.01 C ATOM 930 O VAL A 109 52.342 21.281 11.236 1.00 43.55 O ATOM 931 CB VAL A 109 52.759 19.728 13.881 1.00 38.72 C ATOM 932 CG1 VAL A 109 51.274 19.797 14.206 1.00 38.50 C ATOM 933 CG2 VAL A 109 53.476 18.778 14.822 1.00 35.15 C ATOM 934 H VAL A 109 55.009 19.997 12.637 1.00 0.00 H ATOM 935 N VAL A 110 51.078 19.439 10.912 1.00 44.27 N ATOM 936 CA VAL A 110 50.183 20.110 9.979 1.00 49.24 C ATOM 937 C VAL A 110 49.367 21.153 10.727 1.00 56.20 C ATOM 938 O VAL A 110 48.668 20.838 11.699 1.00 55.83 O ATOM 939 CB VAL A 110 49.268 19.095 9.281 1.00 49.18 C ATOM 940 CG1 VAL A 110 48.300 19.807 8.342 1.00 52.82 C ATOM 941 CG2 VAL A 110 50.091 18.058 8.544 1.00 48.46 C ATOM 942 H VAL A 110 50.920 18.438 11.144 1.00 0.00 H ATOM 943 N ASN A 111 49.450 22.399 10.273 1.00 63.91 N ATOM 944 CA ASN A 111 48.649 23.462 10.856 1.00 71.42 C ATOM 945 C ASN A 111 47.170 23.168 10.643 1.00 76.68 C ATOM 946 O ASN A 111 46.760 22.615 9.621 1.00 78.40 O ATOM 947 CB ASN A 111 49.037 24.806 10.232 1.00 76.40 C ATOM 948 CG ASN A 111 48.238 25.988 10.783 1.00 84.08 C ATOM 949 OD1 ASN A 111 47.130 25.849 11.312 1.00 88.97 O ATOM 950 ND2 ASN A 111 48.818 27.171 10.654 1.00 85.97 N ATOM 951 HD22 ASN A 111 49.752 27.246 10.202 1.00 0.00 H ATOM 952 HD21 ASN A 111 48.340 28.026 11.004 1.00 0.00 H ATOM 953 H ASN A 111 50.098 22.617 9.489 1.00 0.00 H ATOM 954 N GLN A 112 46.367 23.568 11.619 1.00 80.67 N ATOM 955 CA GLN A 112 44.920 23.346 11.613 1.00 86.15 C ATOM 956 C GLN A 112 44.264 24.660 11.187 1.00 90.72 C ATOM 957 O GLN A 112 43.940 25.515 12.016 1.00 92.84 O ATOM 958 CB GLN A 112 44.439 22.879 12.987 1.00 87.64 C ATOM 959 CG GLN A 112 43.056 22.246 13.005 1.00 92.62 C ATOM 960 CD GLN A 112 42.917 21.263 14.150 1.00 92.89 C ATOM 961 OE1 GLN A 112 43.704 21.273 15.092 1.00 90.50 O ATOM 962 NE2 GLN A 112 41.940 20.370 14.045 1.00 95.54 N ATOM 963 HE22 GLN A 112 41.295 20.398 13.229 1.00 0.00 H ATOM 964 HE21 GLN A 112 41.819 19.642 14.778 1.00 0.00 H ATOM 965 H GLN A 112 46.787 24.065 12.431 1.00 0.00 H ATOM 966 N GLN A 113 44.069 24.816 9.875 1.00 92.57 N ATOM 967 CA GLN A 113 43.493 26.025 9.278 1.00 96.51 C ATOM 968 C GLN A 113 44.254 27.297 9.660 1.00 96.34 C ATOM 969 O GLN A 113 45.100 27.780 8.906 1.00 95.73 O ATOM 970 CB GLN A 113 42.021 26.165 9.670 1.00100.98 C ATOM 971 H GLN A 113 44.341 24.037 9.242 1.00 0.00 H TER 972 GLN A 113 HETATM 973 O HOH 1 75.902 4.920 16.028 1.00 45.26 O HETATM 974 O HOH 2 56.972 7.534 27.976 1.00 48.31 O HETATM 975 O HOH 3 73.197 -3.410 24.294 1.00 57.15 O HETATM 976 O HOH 4 58.038 -4.171 22.248 1.00 41.80 O HETATM 977 O HOH 5 69.703 -4.324 8.974 1.00 49.95 O HETATM 978 O HOH 6 70.573 -6.868 24.420 1.00 43.59 O HETATM 979 O HOH 7 51.065 2.771 26.534 1.00 40.98 O HETATM 980 O HOH 8 51.653 5.822 19.866 1.00 42.30 O HETATM 981 O HOH 9 69.148 6.465 23.194 1.00 37.95 O HETATM 982 O HOH 10 70.711 -1.479 8.376 1.00 45.20 O HETATM 983 O HOH 11 51.231 22.901 8.383 1.00 50.18 O HETATM 984 O HOH 12 54.632 -1.627 13.887 1.00 35.79 O HETATM 985 O HOH 13 61.112 -8.981 22.649 1.00 44.52 O HETATM 986 O HOH 14 45.619 6.940 12.981 1.00 46.55 O HETATM 987 O HOH 15 53.460 -0.487 23.460 1.00 62.81 O HETATM 988 O HOH 16 72.302 -8.195 20.866 1.00 36.09 O HETATM 989 O HOH 17 57.526 14.579 22.467 1.00 32.19 O HETATM 990 O HOH 18 75.000 6.066 9.072 1.00 50.88 O HETATM 991 O HOH 19 65.960 5.185 25.050 1.00 38.76 O HETATM 992 O HOH 20 63.422 -10.256 27.721 1.00 41.70 O HETATM 993 O HOH 21 76.125 -12.865 21.222 1.00 52.77 O HETATM 994 O HOH 22 73.846 6.373 12.848 1.00 56.51 O HETATM 995 O HOH 23 65.605 12.895 16.480 1.00 46.73 O HETATM 996 O HOH 24 63.550 13.430 8.443 1.00 43.57 O HETATM 997 O HOH 25 70.285 -8.268 17.142 1.00 32.16 O HETATM 998 O HOH 26 69.634 -5.966 16.150 1.00 45.55 O HETATM 999 O HOH 27 43.870 15.605 18.247 1.00 54.20 O HETATM 1000 O HOH 28 56.444 -0.597 24.594 1.00 52.93 O HETATM 1001 O HOH 29 55.164 12.129 28.515 1.00 37.66 O HETATM 1002 O HOH 30 56.218 -3.242 15.743 1.00 35.16 O HETATM 1003 O HOH 31 64.371 11.648 22.983 1.00 38.17 O HETATM 1004 O HOH 32 43.634 12.352 24.815 1.00 52.84 O HETATM 1005 O HOH 33 51.601 -1.524 20.031 1.00 55.10 O HETATM 1006 O HOH 34 52.792 11.714 27.911 1.00 37.82 O HETATM 1007 O HOH 35 69.781 2.259 24.730 1.00 61.26 O HETATM 1008 O HOH 36 65.159 -9.207 15.473 1.00 55.71 O HETATM 1009 O HOH 37 41.918 22.393 17.654 1.00 36.65 O HETATM 1010 O HOH 38 59.843 8.092 27.763 1.00 44.30 O HETATM 1011 O HOH 39 55.615 -0.087 27.693 1.00 59.69 O HETATM 1012 O HOH 40 76.539 7.573 18.067 1.00 49.18 O HETATM 1013 O HOH 41 41.517 19.808 18.733 1.00 42.07 O HETATM 1014 N B A 5 56.181 1.033 16.510 1.00 -0.28 N HETATM 1015 C3 B A 5 57.430 1.443 16.841 1.00 0.06 C HETATM 1016 C2 B A 5 58.289 2.431 16.382 1.00 -0.03 C HETATM 1017 C1 B A 5 59.546 2.573 16.976 1.00 0.03 C HETATM 1018 C B A 5 59.978 1.755 18.020 1.00 -0.06 C HETATM 1019 C5 B A 5 59.168 0.751 18.522 1.00 -0.07 C HETATM 1020 C4 B A 5 57.922 0.600 17.946 1.00 -0.01 C HETATM 1021 C7 B A 5 56.859 -0.359 18.225 1.00 0.02 C HETATM 1022 C6 B A 5 55.755 -0.004 17.273 1.00 0.09 C HETATM 1023 C21 B A 5 54.428 -0.678 17.159 1.00 0.08 C HETATM 1024 O1 B A 5 53.753 -0.478 16.124 1.00 -0.56 O HETATM 1025 O2 B A 5 53.999 -1.397 18.081 1.00 -0.56 O HETATM 1026 C8 B A 5 57.287 -1.220 19.371 1.00 0.16 C HETATM 1027 C9 B A 5 58.018 -2.524 19.141 1.00 0.21 C HETATM 1028 O B A 5 58.369 -3.097 20.158 1.00 -0.39 O HETATM 1029 N2 B A 5 58.288 -2.978 17.912 1.00 -0.28 N HETATM 1030 C17 B A 5 59.508 -3.727 17.602 1.00 0.04 C HETATM 1031 C18 B A 5 59.585 -3.956 16.101 1.00 -0.04 C HETATM 1032 H7 B A 5 60.500 -4.518 15.862 1.00 0.03 H HETATM 1033 H8 B A 5 59.605 -2.986 15.583 1.00 0.03 H HETATM 1034 H9 B A 5 58.706 -4.529 15.772 1.00 0.03 H HETATM 1035 C19 B A 5 59.561 -5.093 18.283 1.00 -0.04 C HETATM 1036 H10 B A 5 59.507 -4.961 19.374 1.00 0.03 H HETATM 1037 H11 B A 5 60.503 -5.597 18.021 1.00 0.03 H HETATM 1038 H12 B A 5 58.711 -5.704 17.945 1.00 0.03 H HETATM 1039 C20 B A 5 60.720 -2.904 18.024 1.00 -0.04 C HETATM 1040 H14 B A 5 60.683 -1.920 17.534 1.00 0.03 H HETATM 1041 H15 B A 5 61.640 -3.428 17.726 1.00 0.03 H HETATM 1042 H16 B A 5 60.711 -2.771 19.116 1.00 0.03 H HETATM 1043 H20 B A 5 57.633 -2.800 17.178 1.00 0.19 H HETATM 1044 N1 B A 5 56.342 -1.277 20.481 1.00 -0.24 N HETATM 1045 C10 B A 5 56.667 -0.289 21.500 1.00 0.07 C HETATM 1046 C11 B A 5 56.105 1.078 21.175 1.00 -0.03 C HETATM 1047 C12 B A 5 56.919 2.206 21.311 1.00 -0.03 C HETATM 1048 C13 B A 5 56.436 3.483 21.035 1.00 0.16 C HETATM 1049 C14 B A 5 55.031 3.635 20.597 1.00 0.19 C HETATM 1050 C15 B A 5 54.204 2.414 20.473 1.00 0.16 C HETATM 1051 C16 B A 5 54.775 1.183 20.771 1.00 -0.03 C HETATM 1052 H6 B A 5 54.173 0.285 20.688 1.00 0.05 H HETATM 1053 F1 B A 5 52.923 2.499 20.078 1.00 -0.19 F HETATM 1054 F B A 5 54.522 4.848 20.320 1.00 -0.19 F HETATM 1055 F2 B A 5 57.219 4.570 21.160 1.00 -0.19 F HETATM 1056 H5 B A 5 57.946 2.085 21.637 1.00 0.05 H HETATM 1057 H3 B A 5 56.251 -0.623 22.462 1.00 0.07 H HETATM 1058 H4 B A 5 57.761 -0.211 21.581 1.00 0.07 H HETATM 1059 C22 B A 5 55.397 -2.104 20.588 1.00 0.18 C HETATM 1060 O3 B A 5 54.757 -2.159 21.626 1.00 -0.38 O HETATM 1061 H17 B A 5 55.153 -2.766 19.759 1.00 0.15 H HETATM 1062 H19 B A 5 58.095 -0.604 19.791 1.00 0.09 H HETATM 1063 H18 B A 5 59.498 0.111 19.332 1.00 0.06 H HETATM 1064 H2 B A 5 60.964 1.908 18.445 1.00 0.05 H HETATM 1065 CL B A 5 60.659 3.844 16.390 1.00 -0.08 CL HETATM 1066 H13 B A 5 57.989 3.086 15.572 1.00 0.06 H HETATM 1067 H1 B A 5 55.618 1.462 15.762 1.00 0.22 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1014 1015 1022 1067 CONECT 1015 1014 1016 1020 CONECT 1016 1015 1017 1066 CONECT 1017 1016 1018 1065 CONECT 1018 1017 1019 1064 CONECT 1019 1018 1020 1063 CONECT 1020 1015 1019 1021 CONECT 1021 1020 1022 1026 CONECT 1022 1014 1021 1023 CONECT 1023 1022 1024 1025 CONECT 1024 1023 CONECT 1025 1023 CONECT 1026 1021 1027 1044 1062 CONECT 1027 1026 1028 1029 CONECT 1028 1027 CONECT 1029 1027 1030 1043 CONECT 1030 1029 1031 1035 1039 CONECT 1031 1030 1032 1033 1034 CONECT 1032 1031 CONECT 1033 1031 CONECT 1034 1031 CONECT 1035 1030 1036 1037 1038 CONECT 1036 1035 CONECT 1037 1035 CONECT 1038 1035 CONECT 1039 1030 1040 1041 1042 CONECT 1040 1039 CONECT 1041 1039 CONECT 1042 1039 CONECT 1043 1029 CONECT 1044 1026 1045 1059 CONECT 1045 1044 1046 1057 1058 CONECT 1046 1045 1047 1051 CONECT 1047 1046 1048 1056 CONECT 1048 1047 1049 1055 CONECT 1049 1048 1050 1054 CONECT 1050 1049 1051 1053 CONECT 1051 1046 1050 1052 CONECT 1052 1051 CONECT 1053 1050 CONECT 1054 1049 CONECT 1055 1048 CONECT 1056 1047 CONECT 1057 1045 CONECT 1058 1045 CONECT 1059 1044 1060 1061 CONECT 1060 1059 CONECT 1061 1059 CONECT 1062 1026 CONECT 1063 1019 CONECT 1064 1018 CONECT 1065 1017 CONECT 1066 1016 CONECT 1067 1014 MASTER 0 0 0 0 0 0 0 0 1066 1 58 8 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
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3lbk
RCSB PDB
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3lbl
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
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PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
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PDBbind
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RCSB PDB
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RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5oai
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
B5K
EC.Number
E.C.2.3.2.27
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=7uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Febs J. Vol. 286: pp. 1360-1374
Ligand Properties
Formula
C
2
3
H
2
1
ClF
3
N
3
O
4
Molecular Weight
495.879
Exact Mass
495.117
No. of atoms
55
No. of bonds
57
Polar Surface Area
102.5
LOGP Value
4.96 (
Computed with XLOGP3
)
5.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
O=CN([C@H](c1c([nH]c2c1ccc(c2)Cl)C(=O)O)C(=O)NC(C)(C)C)Cc1cc(F)c(c(c1)F)F
InChI String
InChI=1S/C23H21ClF3N3O4/c1-23(2,3)29-21(32)20(30(10-31)9-11-6-14(25)18(27)15(26)7-11)17-13-5-4-12(24)8-16(13)28-19(17)22(33)34/h4-8,10,20,28H,9H2,1-3H3,(H,29,32)(H,33,34)/t20-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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