Browse entries in the PDBbind-CN Database
HEADER 1OAI_COMPLEX COMPND 1OAI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 59 PRO THR LEU SER PRO GLU GLN GLN GLU MET LEU GLN ALA SEQRES 2 A 59 PHE SER THR GLN SER GLY MET ASN LEU GLU TRP SER GLN SEQRES 3 A 59 LYS CYS LEU GLN ASP ASN ASN TRP ASP TYR THR ARG SER SEQRES 4 A 59 ALA GLN ALA PHE THR HIS LEU LYS ALA LYS GLY GLU ILE SEQRES 5 A 59 PRO GLU VAL ALA PHE MET LYS HET ASP A 187 124 ATOM 1 N PRO A 561 -5.605 48.300 5.144 1.00 23.63 N ATOM 2 CA PRO A 561 -4.350 48.852 5.669 1.00 20.58 C ATOM 3 C PRO A 561 -3.926 48.205 6.959 1.00 16.75 C ATOM 4 O PRO A 561 -2.734 48.196 7.160 1.00 19.53 O ATOM 5 CB PRO A 561 -4.648 50.337 5.886 1.00 22.29 C ATOM 6 CG PRO A 561 -5.899 50.607 5.096 1.00 25.76 C ATOM 7 CD PRO A 561 -6.655 49.314 5.029 1.00 25.30 C ATOM 8 HA PRO A 561 -3.525 48.675 4.979 1.00 0.00 H ATOM 9 HD3 PRO A 561 -7.366 49.235 5.851 1.00 0.00 H ATOM 10 HD2 PRO A 561 -7.186 49.221 4.081 1.00 0.00 H ATOM 11 HG3 PRO A 561 -5.644 50.945 4.092 1.00 0.00 H ATOM 12 HG2 PRO A 561 -6.500 51.368 5.593 1.00 0.00 H ATOM 13 HB2 PRO A 561 -4.811 50.544 6.944 1.00 0.00 H ATOM 14 HB3 PRO A 561 -3.824 50.950 5.520 1.00 0.00 H ATOM 15 N THR A 562 -4.851 47.703 7.806 1.00 14.22 N ATOM 16 CA THR A 562 -4.481 47.077 9.040 1.00 11.91 C ATOM 17 C THR A 562 -5.224 45.750 9.194 1.00 12.44 C ATOM 18 O THR A 562 -6.255 45.449 8.476 1.00 12.15 O ATOM 19 CB THR A 562 -4.731 47.960 10.273 1.00 12.14 C ATOM 20 OG1 THR A 562 -6.132 48.195 10.296 1.00 12.03 O ATOM 21 CG2 THR A 562 -3.958 49.243 10.207 1.00 13.91 C ATOM 22 HA THR A 562 -3.405 46.907 8.991 1.00 0.00 H ATOM 23 HB THR A 562 -4.393 47.469 11.185 1.00 0.00 H ATOM 24 HG1 THR A 562 -6.402 48.654 9.462 1.00 0.00 H ATOM 25 HG23 THR A 562 -2.891 49.022 10.191 1.00 0.00 H ATOM 26 HG21 THR A 562 -4.232 49.785 9.302 1.00 0.00 H ATOM 27 HG22 THR A 562 -4.191 49.852 11.081 1.00 0.00 H ATOM 28 H THR A 562 -5.858 47.773 7.556 1.00 0.00 H ATOM 29 N LEU A 563 -4.757 44.963 10.136 1.00 12.25 N ATOM 30 CA LEU A 563 -5.286 43.595 10.305 1.00 12.48 C ATOM 31 C LEU A 563 -5.908 43.491 11.672 1.00 12.07 C ATOM 32 O LEU A 563 -5.408 44.119 12.651 1.00 12.78 O ATOM 33 CB LEU A 563 -4.153 42.638 10.170 1.00 11.52 C ATOM 34 CG LEU A 563 -3.460 42.579 8.825 1.00 14.59 C ATOM 35 CD1 LEU A 563 -2.423 41.520 8.850 1.00 14.41 C ATOM 36 CD2 LEU A 563 -4.397 42.360 7.671 1.00 14.91 C ATOM 37 HA LEU A 563 -6.041 43.365 9.553 1.00 0.00 H ATOM 38 HB2 LEU A 563 -3.404 42.907 10.915 1.00 0.00 H ATOM 39 HB3 LEU A 563 -4.537 41.641 10.387 1.00 0.00 H ATOM 40 HG LEU A 563 -3.006 43.556 8.662 1.00 0.00 H ATOM 41 HD21 LEU A 563 -4.924 41.416 7.807 1.00 0.00 H ATOM 42 HD22 LEU A 563 -5.118 43.177 7.630 1.00 0.00 H ATOM 43 HD23 LEU A 563 -3.827 42.329 6.742 1.00 0.00 H ATOM 44 HD11 LEU A 563 -1.692 41.747 9.626 1.00 0.00 H ATOM 45 HD12 LEU A 563 -2.892 40.559 9.060 1.00 0.00 H ATOM 46 HD13 LEU A 563 -1.925 41.478 7.881 1.00 0.00 H ATOM 47 H LEU A 563 -4.007 45.307 10.769 1.00 0.00 H ATOM 48 N SER A 564 -6.964 42.652 11.799 1.00 10.92 N ATOM 49 CA SER A 564 -7.527 42.344 13.060 1.00 10.75 C ATOM 50 C SER A 564 -6.561 41.571 13.909 1.00 9.68 C ATOM 51 O SER A 564 -5.598 40.986 13.349 1.00 9.97 O ATOM 52 CB SER A 564 -8.828 41.506 12.924 1.00 10.86 C ATOM 53 OG SER A 564 -8.462 40.221 12.452 1.00 11.56 O ATOM 54 HA SER A 564 -7.760 43.299 13.531 1.00 0.00 H ATOM 55 HB2 SER A 564 -9.506 41.983 12.216 1.00 0.00 H ATOM 56 HB3 SER A 564 -9.319 41.420 13.894 1.00 0.00 H ATOM 57 HG SER A 564 -9.274 39.663 12.355 1.00 0.00 H ATOM 58 H SER A 564 -7.373 42.222 10.945 1.00 0.00 H ATOM 59 N PRO A 565 -6.781 41.449 15.207 1.00 10.48 N ATOM 60 CA PRO A 565 -5.884 40.631 16.013 1.00 11.02 C ATOM 61 C PRO A 565 -5.718 39.201 15.492 1.00 10.85 C ATOM 62 O PRO A 565 -4.612 38.654 15.439 1.00 10.70 O ATOM 63 CB PRO A 565 -6.498 40.726 17.411 1.00 12.42 C ATOM 64 CG PRO A 565 -7.118 42.110 17.409 1.00 13.40 C ATOM 65 CD PRO A 565 -7.693 42.244 16.048 1.00 11.23 C ATOM 66 HA PRO A 565 -4.853 40.984 15.990 1.00 0.00 H ATOM 67 HD3 PRO A 565 -8.706 41.843 16.012 1.00 0.00 H ATOM 68 HD2 PRO A 565 -7.705 43.287 15.731 1.00 0.00 H ATOM 69 HG3 PRO A 565 -6.361 42.874 17.587 1.00 0.00 H ATOM 70 HG2 PRO A 565 -7.896 42.187 18.168 1.00 0.00 H ATOM 71 HB2 PRO A 565 -7.255 39.956 17.562 1.00 0.00 H ATOM 72 HB3 PRO A 565 -5.734 40.638 18.183 1.00 0.00 H ATOM 73 N GLU A 566 -6.815 38.587 15.092 1.00 10.45 N ATOM 74 CA GLU A 566 -6.760 37.221 14.591 1.00 10.18 C ATOM 75 C GLU A 566 -5.967 37.159 13.293 1.00 9.19 C ATOM 76 O GLU A 566 -5.175 36.236 13.059 1.00 9.62 O ATOM 77 CB GLU A 566 -8.159 36.638 14.385 1.00 11.46 C ATOM 78 CG GLU A 566 -8.141 35.239 13.800 1.00 15.97 C ATOM 79 CD GLU A 566 -9.525 34.655 13.673 1.00 20.08 C ATOM 80 OE1 GLU A 566 -10.516 35.412 13.560 1.00 28.10 O ATOM 81 OE2 GLU A 566 -9.678 33.455 13.805 1.00 25.99 O ATOM 82 HA GLU A 566 -6.255 36.616 15.344 1.00 0.00 H ATOM 83 HB2 GLU A 566 -8.666 36.605 15.349 1.00 0.00 H ATOM 84 HB3 GLU A 566 -8.711 37.290 13.708 1.00 0.00 H ATOM 85 HG2 GLU A 566 -7.684 35.278 12.811 1.00 0.00 H ATOM 86 HG3 GLU A 566 -7.546 34.595 14.448 1.00 0.00 H ATOM 87 H GLU A 566 -7.728 39.083 15.135 1.00 0.00 H ATOM 88 N GLN A 567 -6.198 38.110 12.378 1.00 9.30 N ATOM 89 CA GLN A 567 -5.446 38.172 11.134 1.00 8.81 C ATOM 90 C GLN A 567 -3.977 38.401 11.386 1.00 8.55 C ATOM 91 O GLN A 567 -3.161 37.828 10.663 1.00 8.40 O ATOM 92 CB GLN A 567 -6.009 39.249 10.219 1.00 9.68 C ATOM 93 CG GLN A 567 -7.370 38.932 9.639 1.00 11.01 C ATOM 94 CD GLN A 567 -7.958 40.108 8.880 1.00 11.91 C ATOM 95 OE1 GLN A 567 -7.770 41.276 9.276 1.00 12.77 O ATOM 96 NE2 GLN A 567 -8.607 39.831 7.777 1.00 16.72 N ATOM 97 HA GLN A 567 -5.549 37.207 10.637 1.00 0.00 H ATOM 98 HB2 GLN A 567 -6.089 40.174 10.791 1.00 0.00 H ATOM 99 HB3 GLN A 567 -5.312 39.393 9.393 1.00 0.00 H ATOM 100 HG2 GLN A 567 -7.273 38.087 8.957 1.00 0.00 H ATOM 101 HG3 GLN A 567 -8.045 38.666 10.452 1.00 0.00 H ATOM 102 HE22 GLN A 567 -8.740 38.841 7.486 1.00 0.00 H ATOM 103 HE21 GLN A 567 -8.990 40.601 7.192 1.00 0.00 H ATOM 104 H GLN A 567 -6.934 38.822 12.562 1.00 0.00 H ATOM 105 N GLN A 568 -3.634 39.240 12.345 1.00 8.87 N ATOM 106 CA GLN A 568 -2.225 39.487 12.666 1.00 9.41 C ATOM 107 C GLN A 568 -1.532 38.191 13.083 1.00 8.86 C ATOM 108 O GLN A 568 -0.392 37.913 12.673 1.00 9.28 O ATOM 109 CB GLN A 568 -2.097 40.543 13.744 1.00 10.68 C ATOM 110 CG GLN A 568 -0.661 40.920 14.044 1.00 13.75 C ATOM 111 CD GLN A 568 0.005 41.623 12.892 1.00 16.38 C ATOM 112 OE1 GLN A 568 -0.618 42.509 12.259 1.00 19.65 O ATOM 113 NE2 GLN A 568 1.238 41.265 12.626 1.00 20.29 N ATOM 114 HA GLN A 568 -1.730 39.861 11.770 1.00 0.00 H ATOM 115 HB2 GLN A 568 -2.629 41.437 13.418 1.00 0.00 H ATOM 116 HB3 GLN A 568 -2.554 40.163 14.658 1.00 0.00 H ATOM 117 HG2 GLN A 568 -0.647 41.580 14.911 1.00 0.00 H ATOM 118 HG3 GLN A 568 -0.101 40.012 14.270 1.00 0.00 H ATOM 119 HE22 GLN A 568 1.697 40.522 13.191 1.00 0.00 H ATOM 120 HE21 GLN A 568 1.757 41.724 11.850 1.00 0.00 H ATOM 121 H GLN A 568 -4.375 39.734 12.882 1.00 0.00 H ATOM 122 N GLU A 569 -2.199 37.389 13.926 1.00 8.94 N ATOM 123 CA GLU A 569 -1.612 36.116 14.346 1.00 8.94 C ATOM 124 C GLU A 569 -1.466 35.160 13.133 1.00 8.32 C ATOM 125 O GLU A 569 -0.449 34.471 13.023 1.00 8.95 O ATOM 126 CB GLU A 569 -2.420 35.504 15.464 1.00 10.76 C ATOM 127 CG GLU A 569 -2.357 36.225 16.770 1.00 15.59 C ATOM 128 CD GLU A 569 -1.005 36.560 17.446 1.00 27.43 C ATOM 129 OE1 GLU A 569 0.063 36.070 17.124 1.00 30.20 O ATOM 130 OE2 GLU A 569 -1.012 37.358 18.416 1.00 34.27 O ATOM 131 HA GLU A 569 -0.610 36.297 14.736 1.00 0.00 H ATOM 132 HB2 GLU A 569 -3.462 35.472 15.147 1.00 0.00 H ATOM 133 HB3 GLU A 569 -2.059 34.488 15.623 1.00 0.00 H ATOM 134 HG2 GLU A 569 -2.871 37.175 16.622 1.00 0.00 H ATOM 135 HG3 GLU A 569 -2.916 35.619 17.483 1.00 0.00 H ATOM 136 H GLU A 569 -3.134 37.672 14.282 1.00 0.00 H ATOM 137 N MET A 570 -2.470 35.126 12.276 1.00 7.93 N ATOM 138 CA MET A 570 -2.400 34.284 11.098 1.00 7.88 C ATOM 139 C MET A 570 -1.247 34.714 10.198 1.00 7.23 C ATOM 140 O MET A 570 -0.523 33.879 9.639 1.00 7.18 O ATOM 141 CB MET A 570 -3.695 34.386 10.322 1.00 8.44 C ATOM 142 CG MET A 570 -4.869 33.631 10.892 1.00 13.39 C ATOM 143 SD MET A 570 -6.417 33.793 9.951 1.00 16.89 S ATOM 144 CE MET A 570 -5.488 33.399 8.534 1.00 6.77 C ATOM 145 HA MET A 570 -2.237 33.255 11.419 1.00 0.00 H ATOM 146 HB2 MET A 570 -3.970 35.439 10.269 1.00 0.00 H ATOM 147 HB3 MET A 570 -3.512 34.008 9.316 1.00 0.00 H ATOM 148 HG2 MET A 570 -5.048 33.997 11.903 1.00 0.00 H ATOM 149 HG3 MET A 570 -4.605 32.574 10.930 1.00 0.00 H ATOM 150 HE1 MET A 570 -4.702 34.142 8.398 1.00 0.00 H ATOM 151 HE2 MET A 570 -5.040 32.413 8.657 1.00 0.00 H ATOM 152 HE3 MET A 570 -6.142 33.396 7.662 1.00 0.00 H ATOM 153 H MET A 570 -3.316 35.707 12.447 1.00 0.00 H ATOM 154 N LEU A 571 -1.074 36.024 10.011 1.00 7.37 N ATOM 155 CA LEU A 571 -0.037 36.564 9.189 1.00 7.21 C ATOM 156 C LEU A 571 1.336 36.147 9.675 1.00 7.49 C ATOM 157 O LEU A 571 2.186 35.698 8.888 1.00 7.87 O ATOM 158 CB LEU A 571 -0.121 38.107 9.197 1.00 8.02 C ATOM 159 CG LEU A 571 1.032 38.804 8.489 1.00 8.87 C ATOM 160 CD1 LEU A 571 1.105 38.374 7.038 1.00 12.43 C ATOM 161 CD2 LEU A 571 0.980 40.294 8.643 1.00 10.76 C ATOM 162 HA LEU A 571 -0.178 36.177 8.180 1.00 0.00 H ATOM 163 HB2 LEU A 571 -1.049 38.401 8.707 1.00 0.00 H ATOM 164 HB3 LEU A 571 -0.137 38.442 10.234 1.00 0.00 H ATOM 165 HG LEU A 571 1.957 38.490 8.973 1.00 0.00 H ATOM 166 HD21 LEU A 571 0.048 40.669 8.220 1.00 0.00 H ATOM 167 HD22 LEU A 571 1.030 40.551 9.701 1.00 0.00 H ATOM 168 HD23 LEU A 571 1.825 40.742 8.119 1.00 0.00 H ATOM 169 HD11 LEU A 571 1.258 37.296 6.987 1.00 0.00 H ATOM 170 HD12 LEU A 571 0.173 38.634 6.536 1.00 0.00 H ATOM 171 HD13 LEU A 571 1.936 38.884 6.551 1.00 0.00 H ATOM 172 H LEU A 571 -1.724 36.683 10.486 1.00 0.00 H ATOM 173 N GLN A 572 1.598 36.318 10.977 1.00 8.18 N ATOM 174 CA GLN A 572 2.912 35.969 11.503 1.00 9.16 C ATOM 175 C GLN A 572 3.164 34.474 11.309 1.00 8.47 C ATOM 176 O GLN A 572 4.280 34.074 10.957 1.00 9.16 O ATOM 177 CB GLN A 572 3.022 36.390 12.972 1.00 10.99 C ATOM 178 CG GLN A 572 2.965 37.905 13.147 1.00 15.96 C ATOM 179 CD GLN A 572 3.141 38.439 14.541 1.00 22.63 C ATOM 180 OE1 GLN A 572 2.624 39.526 14.851 1.00 26.48 O ATOM 181 NE2 GLN A 572 3.887 37.723 15.383 1.00 28.88 N ATOM 182 HA GLN A 572 3.685 36.508 10.955 1.00 0.00 H ATOM 183 HB2 GLN A 572 2.199 35.942 13.528 1.00 0.00 H ATOM 184 HB3 GLN A 572 3.969 36.026 13.371 1.00 0.00 H ATOM 185 HG2 GLN A 572 3.751 38.337 12.527 1.00 0.00 H ATOM 186 HG3 GLN A 572 1.993 38.241 12.786 1.00 0.00 H ATOM 187 HE22 GLN A 572 4.297 36.819 15.074 1.00 0.00 H ATOM 188 HE21 GLN A 572 4.059 38.069 16.349 1.00 0.00 H ATOM 189 H GLN A 572 0.867 36.699 11.611 1.00 0.00 H ATOM 190 N ALA A 573 2.161 33.656 11.572 1.00 7.57 N ATOM 191 CA ALA A 573 2.307 32.220 11.411 1.00 8.07 C ATOM 192 C ALA A 573 2.629 31.873 9.960 1.00 7.48 C ATOM 193 O ALA A 573 3.503 31.024 9.700 1.00 8.31 O ATOM 194 CB ALA A 573 1.063 31.521 11.884 1.00 8.44 C ATOM 195 HA ALA A 573 3.141 31.875 12.022 1.00 0.00 H ATOM 196 HB1 ALA A 573 0.897 31.750 12.937 1.00 0.00 H ATOM 197 HB2 ALA A 573 0.210 31.864 11.298 1.00 0.00 H ATOM 198 HB3 ALA A 573 1.183 30.445 11.759 1.00 0.00 H ATOM 199 H ALA A 573 1.254 34.046 11.899 1.00 0.00 H ATOM 200 N PHE A 574 1.906 32.471 9.019 1.00 6.72 N ATOM 201 CA PHE A 574 2.055 32.131 7.627 1.00 7.05 C ATOM 202 C PHE A 574 3.402 32.618 7.074 1.00 6.88 C ATOM 203 O PHE A 574 4.022 31.951 6.223 1.00 7.20 O ATOM 204 CB PHE A 574 0.901 32.728 6.791 1.00 7.08 C ATOM 205 CG PHE A 574 0.785 32.112 5.413 1.00 6.95 C ATOM 206 CD1 PHE A 574 0.067 30.940 5.245 1.00 8.90 C ATOM 207 CD2 PHE A 574 1.343 32.674 4.289 1.00 7.62 C ATOM 208 CE1 PHE A 574 -0.034 30.344 4.027 1.00 9.73 C ATOM 209 CE2 PHE A 574 1.260 32.080 3.057 1.00 8.57 C ATOM 210 CZ PHE A 574 0.583 30.893 2.909 1.00 8.61 C ATOM 211 HA PHE A 574 2.024 31.044 7.552 1.00 0.00 H ATOM 212 HB2 PHE A 574 -0.035 32.564 7.325 1.00 0.00 H ATOM 213 HB3 PHE A 574 1.071 33.799 6.679 1.00 0.00 H ATOM 214 HD2 PHE A 574 1.869 33.624 4.381 1.00 0.00 H ATOM 215 HE2 PHE A 574 1.731 32.549 2.193 1.00 0.00 H ATOM 216 HZ PHE A 574 0.531 30.395 1.941 1.00 0.00 H ATOM 217 HE1 PHE A 574 -0.607 29.422 3.926 1.00 0.00 H ATOM 218 HD1 PHE A 574 -0.426 30.487 6.105 1.00 0.00 H ATOM 219 H PHE A 574 1.217 33.201 9.293 1.00 0.00 H ATOM 220 N SER A 575 3.833 33.793 7.492 1.00 7.55 N ATOM 221 CA SER A 575 5.134 34.303 7.087 1.00 7.36 C ATOM 222 C SER A 575 6.240 33.337 7.538 1.00 7.47 C ATOM 223 O SER A 575 7.135 32.980 6.755 1.00 8.28 O ATOM 224 CB SER A 575 5.331 35.712 7.617 1.00 7.87 C ATOM 225 OG SER A 575 6.611 36.203 7.330 1.00 9.29 O ATOM 226 HA SER A 575 5.187 34.364 6.000 1.00 0.00 H ATOM 227 HB2 SER A 575 5.190 35.705 8.698 1.00 0.00 H ATOM 228 HB3 SER A 575 4.591 36.368 7.159 1.00 0.00 H ATOM 229 HG SER A 575 6.745 36.218 6.349 1.00 0.00 H ATOM 230 H SER A 575 3.233 34.364 8.121 1.00 0.00 H ATOM 231 N THR A 576 6.190 32.902 8.777 1.00 7.59 N ATOM 232 CA THR A 576 7.172 31.956 9.260 1.00 8.26 C ATOM 233 C THR A 576 7.112 30.666 8.459 1.00 7.97 C ATOM 234 O THR A 576 8.157 30.132 8.006 1.00 8.45 O ATOM 235 CB THR A 576 6.959 31.691 10.757 1.00 9.11 C ATOM 236 OG1 THR A 576 7.212 32.910 11.468 1.00 11.80 O ATOM 237 CG2 THR A 576 7.887 30.593 11.282 1.00 11.63 C ATOM 238 HA THR A 576 8.166 32.382 9.128 1.00 0.00 H ATOM 239 HB THR A 576 5.934 31.351 10.908 1.00 0.00 H ATOM 240 HG1 THR A 576 8.144 33.200 11.302 1.00 0.00 H ATOM 241 HG23 THR A 576 7.694 29.667 10.741 1.00 0.00 H ATOM 242 HG21 THR A 576 8.924 30.893 11.132 1.00 0.00 H ATOM 243 HG22 THR A 576 7.701 30.440 12.345 1.00 0.00 H ATOM 244 H THR A 576 5.440 33.240 9.414 1.00 0.00 H ATOM 245 N GLN A 577 5.925 30.089 8.274 1.00 7.41 N ATOM 246 CA GLN A 577 5.814 28.804 7.631 1.00 7.86 C ATOM 247 C GLN A 577 6.217 28.828 6.154 1.00 7.62 C ATOM 248 O GLN A 577 6.800 27.873 5.655 1.00 8.97 O ATOM 249 CB GLN A 577 4.396 28.260 7.798 1.00 8.72 C ATOM 250 CG GLN A 577 4.146 27.686 9.081 1.00 16.34 C ATOM 251 CD GLN A 577 3.132 26.545 8.978 1.00 18.79 C ATOM 252 OE1 GLN A 577 2.025 26.780 8.620 1.00 15.17 O ATOM 253 NE2 GLN A 577 3.542 25.329 9.239 1.00 22.12 N ATOM 254 HA GLN A 577 6.523 28.139 8.124 1.00 0.00 H ATOM 255 HB2 GLN A 577 3.693 29.079 7.645 1.00 0.00 H ATOM 256 HB3 GLN A 577 4.230 27.494 7.040 1.00 0.00 H ATOM 257 HG2 GLN A 577 5.080 27.299 9.488 1.00 0.00 H ATOM 258 HG3 GLN A 577 3.753 28.455 9.746 1.00 0.00 H ATOM 259 HE22 GLN A 577 4.521 25.166 9.550 1.00 0.00 H ATOM 260 HE21 GLN A 577 2.889 24.526 9.135 1.00 0.00 H ATOM 261 H GLN A 577 5.064 30.574 8.599 1.00 0.00 H ATOM 262 N SER A 578 5.840 29.882 5.439 1.00 7.71 N ATOM 263 CA SER A 578 6.086 29.969 4.004 1.00 7.88 C ATOM 264 C SER A 578 7.492 30.456 3.681 1.00 8.83 C ATOM 265 O SER A 578 7.970 30.225 2.561 1.00 10.01 O ATOM 266 CB SER A 578 5.083 30.927 3.353 1.00 7.91 C ATOM 267 OG SER A 578 5.285 32.270 3.722 1.00 7.58 O ATOM 268 HA SER A 578 5.972 28.960 3.609 1.00 0.00 H ATOM 269 HB2 SER A 578 4.077 30.632 3.651 1.00 0.00 H ATOM 270 HB3 SER A 578 5.178 30.846 2.270 1.00 0.00 H ATOM 271 HG SER A 578 5.192 32.359 4.704 1.00 0.00 H ATOM 272 H SER A 578 5.355 30.668 5.916 1.00 0.00 H ATOM 273 N GLY A 579 8.117 31.207 4.579 1.00 8.57 N ATOM 274 CA GLY A 579 9.348 31.863 4.253 1.00 9.85 C ATOM 275 C GLY A 579 9.205 33.209 3.528 1.00 9.45 C ATOM 276 O GLY A 579 10.216 33.834 3.197 1.00 11.78 O ATOM 277 HA3 GLY A 579 9.926 31.196 3.613 1.00 0.00 H ATOM 278 HA2 GLY A 579 9.893 32.037 5.181 1.00 0.00 H ATOM 279 H GLY A 579 7.709 31.320 5.529 1.00 0.00 H ATOM 280 N MET A 580 7.984 33.625 3.248 1.00 8.62 N ATOM 281 CA MET A 580 7.763 34.921 2.570 1.00 8.52 C ATOM 282 C MET A 580 7.808 36.018 3.628 1.00 9.10 C ATOM 283 O MET A 580 7.492 35.808 4.812 1.00 10.22 O ATOM 284 CB MET A 580 6.449 34.934 1.802 1.00 8.13 C ATOM 285 CG MET A 580 6.427 34.015 0.641 1.00 7.89 C ATOM 286 SD MET A 580 5.021 34.208 -0.483 1.00 7.99 S ATOM 287 CE MET A 580 3.665 33.801 0.624 1.00 8.88 C ATOM 288 HA MET A 580 8.545 35.090 1.830 1.00 0.00 H ATOM 289 HB2 MET A 580 5.649 34.646 2.484 1.00 0.00 H ATOM 290 HB3 MET A 580 6.271 35.947 1.442 1.00 0.00 H ATOM 291 HG2 MET A 580 6.415 32.994 1.022 1.00 0.00 H ATOM 292 HG3 MET A 580 7.340 34.177 0.068 1.00 0.00 H ATOM 293 HE1 MET A 580 3.795 32.785 0.997 1.00 0.00 H ATOM 294 HE2 MET A 580 3.659 34.499 1.461 1.00 0.00 H ATOM 295 HE3 MET A 580 2.722 33.873 0.083 1.00 0.00 H ATOM 296 H MET A 580 7.168 33.035 3.507 1.00 0.00 H ATOM 297 N ASN A 581 8.160 37.240 3.172 1.00 9.19 N ATOM 298 CA ASN A 581 8.072 38.400 4.022 1.00 9.25 C ATOM 299 C ASN A 581 6.635 38.711 4.402 1.00 9.19 C ATOM 300 O ASN A 581 5.686 38.127 3.863 1.00 8.79 O ATOM 301 CB ASN A 581 8.821 39.609 3.390 1.00 9.59 C ATOM 302 CG ASN A 581 8.285 39.942 2.054 1.00 8.98 C ATOM 303 OD1 ASN A 581 7.089 40.239 1.888 1.00 9.33 O ATOM 304 ND2 ASN A 581 9.154 39.966 1.059 1.00 9.63 N ATOM 305 HA ASN A 581 8.580 38.178 4.960 1.00 0.00 H ATOM 306 HB2 ASN A 581 8.709 40.475 4.042 1.00 0.00 H ATOM 307 HB3 ASN A 581 9.878 39.361 3.296 1.00 0.00 H ATOM 308 HD22 ASN A 581 10.148 39.712 1.230 1.00 0.00 H ATOM 309 HD21 ASN A 581 8.844 40.239 0.104 1.00 0.00 H ATOM 310 H ASN A 581 8.499 37.345 2.194 1.00 0.00 H ATOM 311 N LEU A 582 6.461 39.611 5.358 1.00 9.46 N ATOM 312 CA LEU A 582 5.113 39.886 5.886 1.00 9.37 C ATOM 313 C LEU A 582 4.198 40.422 4.811 1.00 8.38 C ATOM 314 O LEU A 582 3.039 40.008 4.759 1.00 8.89 O ATOM 315 CB LEU A 582 5.185 40.850 7.065 1.00 10.67 C ATOM 316 CG LEU A 582 5.782 40.259 8.340 1.00 12.71 C ATOM 317 CD1 LEU A 582 6.160 41.299 9.343 1.00 16.07 C ATOM 318 CD2 LEU A 582 4.886 39.191 8.979 1.00 11.89 C ATOM 319 HA LEU A 582 4.694 38.943 6.236 1.00 0.00 H ATOM 320 HB2 LEU A 582 5.795 41.704 6.769 1.00 0.00 H ATOM 321 HB3 LEU A 582 4.173 41.188 7.289 1.00 0.00 H ATOM 322 HG LEU A 582 6.700 39.767 8.018 1.00 0.00 H ATOM 323 HD21 LEU A 582 3.923 39.633 9.236 1.00 0.00 H ATOM 324 HD22 LEU A 582 4.736 38.375 8.273 1.00 0.00 H ATOM 325 HD23 LEU A 582 5.365 38.809 9.881 1.00 0.00 H ATOM 326 HD11 LEU A 582 6.902 41.968 8.908 1.00 0.00 H ATOM 327 HD12 LEU A 582 5.275 41.869 9.624 1.00 0.00 H ATOM 328 HD13 LEU A 582 6.578 40.815 10.226 1.00 0.00 H ATOM 329 H LEU A 582 7.280 40.127 5.738 1.00 0.00 H ATOM 330 N GLU A 583 4.670 41.332 3.934 1.00 8.37 N ATOM 331 CA GLU A 583 3.757 41.898 2.967 1.00 8.36 C ATOM 332 C GLU A 583 3.265 40.844 1.958 1.00 7.50 C ATOM 333 O GLU A 583 2.091 40.838 1.604 1.00 7.98 O ATOM 334 CB GLU A 583 4.406 43.071 2.245 1.00 8.89 C ATOM 335 CG GLU A 583 4.617 44.319 3.135 1.00 9.53 C ATOM 336 CD GLU A 583 5.784 44.355 4.076 1.00 11.72 C ATOM 337 OE1 GLU A 583 6.592 43.410 4.090 1.00 12.75 O ATOM 338 OE2 GLU A 583 5.925 45.386 4.814 1.00 14.08 O ATOM 339 HA GLU A 583 2.884 42.259 3.511 1.00 0.00 H ATOM 340 HB2 GLU A 583 5.378 42.748 1.871 1.00 0.00 H ATOM 341 HB3 GLU A 583 3.770 43.352 1.406 1.00 0.00 H ATOM 342 HG2 GLU A 583 4.719 45.174 2.467 1.00 0.00 H ATOM 343 HG3 GLU A 583 3.717 44.437 3.738 1.00 0.00 H ATOM 344 H GLU A 583 5.669 41.620 3.953 1.00 0.00 H ATOM 345 N TRP A 584 4.152 39.978 1.495 1.00 7.77 N ATOM 346 CA TRP A 584 3.720 38.936 0.532 1.00 7.29 C ATOM 347 C TRP A 584 2.890 37.870 1.213 1.00 7.24 C ATOM 348 O TRP A 584 2.004 37.291 0.582 1.00 7.65 O ATOM 349 CB TRP A 584 4.946 38.342 -0.189 1.00 7.80 C ATOM 350 CG TRP A 584 5.377 39.216 -1.342 1.00 7.20 C ATOM 351 CD1 TRP A 584 6.185 40.318 -1.306 1.00 7.42 C ATOM 352 CD2 TRP A 584 4.979 39.069 -2.680 1.00 7.85 C ATOM 353 NE1 TRP A 584 6.316 40.839 -2.560 1.00 7.87 N ATOM 354 CE2 TRP A 584 5.585 40.103 -3.436 1.00 8.33 C ATOM 355 CE3 TRP A 584 4.180 38.130 -3.348 1.00 10.42 C ATOM 356 CZ2 TRP A 584 5.401 40.241 -4.793 1.00 10.59 C ATOM 357 CZ3 TRP A 584 3.972 38.284 -4.700 1.00 12.75 C ATOM 358 CH2 TRP A 584 4.572 39.311 -5.416 1.00 12.96 C ATOM 359 HA TRP A 584 3.080 39.397 -0.220 1.00 0.00 H ATOM 360 HB2 TRP A 584 5.769 38.257 0.520 1.00 0.00 H ATOM 361 HB3 TRP A 584 4.691 37.352 -0.568 1.00 0.00 H ATOM 362 HE1 TRP A 584 6.888 41.672 -2.807 1.00 0.00 H ATOM 363 HD1 TRP A 584 6.655 40.721 -0.409 1.00 0.00 H ATOM 364 HZ2 TRP A 584 5.882 41.042 -5.355 1.00 0.00 H ATOM 365 HH2 TRP A 584 4.391 39.391 -6.488 1.00 0.00 H ATOM 366 HZ3 TRP A 584 3.320 37.583 -5.221 1.00 0.00 H ATOM 367 HE3 TRP A 584 3.733 37.295 -2.808 1.00 0.00 H ATOM 368 H TRP A 584 5.144 40.028 1.804 1.00 0.00 H ATOM 369 N SER A 585 3.151 37.594 2.491 1.00 7.19 N ATOM 370 CA SER A 585 2.317 36.684 3.246 1.00 7.56 C ATOM 371 C SER A 585 0.890 37.243 3.388 1.00 7.49 C ATOM 372 O SER A 585 -0.090 36.509 3.261 1.00 7.84 O ATOM 373 CB SER A 585 2.962 36.407 4.574 1.00 8.29 C ATOM 374 OG SER A 585 4.185 35.732 4.457 1.00 9.40 O ATOM 375 HA SER A 585 2.225 35.737 2.713 1.00 0.00 H ATOM 376 HB2 SER A 585 2.283 35.797 5.170 1.00 0.00 H ATOM 377 HB3 SER A 585 3.135 37.356 5.081 1.00 0.00 H ATOM 378 HG SER A 585 4.814 36.281 3.925 1.00 0.00 H ATOM 379 H SER A 585 3.968 38.041 2.953 1.00 0.00 H ATOM 380 N GLN A 586 0.802 38.541 3.684 1.00 7.79 N ATOM 381 CA GLN A 586 -0.505 39.191 3.768 1.00 8.75 C ATOM 382 C GLN A 586 -1.228 39.114 2.428 1.00 8.28 C ATOM 383 O GLN A 586 -2.419 38.847 2.390 1.00 8.85 O ATOM 384 CB GLN A 586 -0.319 40.648 4.214 1.00 9.51 C ATOM 385 CG GLN A 586 -1.607 41.397 4.308 1.00 10.73 C ATOM 386 CD GLN A 586 -1.452 42.757 4.922 1.00 12.58 C ATOM 387 OE1 GLN A 586 -0.703 42.969 5.863 1.00 17.38 O ATOM 388 NE2 GLN A 586 -2.235 43.651 4.427 1.00 19.24 N ATOM 389 HA GLN A 586 -1.121 38.674 4.504 1.00 0.00 H ATOM 390 HB2 GLN A 586 0.159 40.654 5.194 1.00 0.00 H ATOM 391 HB3 GLN A 586 0.325 41.153 3.494 1.00 0.00 H ATOM 392 HG2 GLN A 586 -2.015 41.514 3.304 1.00 0.00 H ATOM 393 HG3 GLN A 586 -2.302 40.818 4.916 1.00 0.00 H ATOM 394 HE22 GLN A 586 -2.852 43.415 3.624 1.00 0.00 H ATOM 395 HE21 GLN A 586 -2.250 44.610 4.830 1.00 0.00 H ATOM 396 H GLN A 586 1.667 39.093 3.856 1.00 0.00 H ATOM 397 N LYS A 587 -0.500 39.339 1.334 1.00 8.22 N ATOM 398 CA LYS A 587 -1.075 39.236 0.019 1.00 8.48 C ATOM 399 C LYS A 587 -1.643 37.811 -0.222 1.00 8.16 C ATOM 400 O LYS A 587 -2.757 37.670 -0.705 1.00 8.97 O ATOM 401 CB LYS A 587 -0.025 39.565 -1.041 1.00 9.05 C ATOM 402 CG LYS A 587 -0.506 39.418 -2.402 1.00 10.97 C ATOM 403 CD LYS A 587 0.417 39.892 -3.414 1.00 13.62 C ATOM 404 CE LYS A 587 0.022 39.444 -4.770 1.00 15.99 C ATOM 405 NZ LYS A 587 -1.499 39.545 -5.017 1.00 15.52 N ATOM 406 HA LYS A 587 -1.894 39.952 -0.055 1.00 0.00 H ATOM 407 HB2 LYS A 587 0.297 40.597 -0.899 1.00 0.00 H ATOM 408 HB3 LYS A 587 0.826 38.898 -0.902 1.00 0.00 H ATOM 409 HG2 LYS A 587 -0.699 38.361 -2.584 1.00 0.00 H ATOM 410 HG3 LYS A 587 -1.436 39.978 -2.498 1.00 0.00 H ATOM 411 HD2 LYS A 587 0.435 40.982 -3.393 1.00 0.00 H ATOM 412 HD3 LYS A 587 1.413 39.509 -3.191 1.00 0.00 H ATOM 413 HE2 LYS A 587 0.327 38.405 -4.896 1.00 0.00 H ATOM 414 HE3 LYS A 587 0.536 40.064 -5.505 1.00 0.00 H ATOM 415 HZ1 LYS A 587 -2.001 38.950 -4.327 1.00 0.00 H ATOM 416 HZ2 LYS A 587 -1.802 40.534 -4.909 1.00 0.00 H ATOM 417 HZ3 LYS A 587 -1.715 39.219 -5.981 1.00 0.00 H ATOM 418 H LYS A 587 0.503 39.594 1.433 1.00 0.00 H ATOM 419 N CYS A 588 -0.868 36.799 0.090 1.00 7.67 N ATOM 420 CA CYS A 588 -1.349 35.443 -0.141 1.00 7.55 C ATOM 421 C CYS A 588 -2.595 35.156 0.689 1.00 7.19 C ATOM 422 O CYS A 588 -3.568 34.586 0.175 1.00 8.32 O ATOM 423 CB CYS A 588 -0.220 34.465 0.141 1.00 7.95 C ATOM 424 SG CYS A 588 -0.602 32.726 -0.196 1.00 8.55 S ATOM 425 HA CYS A 588 -1.648 35.327 -1.183 1.00 0.00 H ATOM 426 HB2 CYS A 588 0.048 34.554 1.194 1.00 0.00 H ATOM 427 HB3 CYS A 588 0.633 34.748 -0.475 1.00 0.00 H ATOM 428 HG CYS A 588 0.499 31.949 0.100 1.00 0.00 H ATOM 429 H CYS A 588 0.075 36.962 0.496 1.00 0.00 H ATOM 430 N LEU A 589 -2.603 35.516 1.962 1.00 7.04 N ATOM 431 CA LEU A 589 -3.767 35.306 2.817 1.00 7.11 C ATOM 432 C LEU A 589 -4.944 36.075 2.305 1.00 7.73 C ATOM 433 O LEU A 589 -6.066 35.522 2.226 1.00 8.74 O ATOM 434 CB LEU A 589 -3.435 35.648 4.269 1.00 7.04 C ATOM 435 CG LEU A 589 -2.528 34.642 4.968 1.00 7.33 C ATOM 436 CD1 LEU A 589 -1.852 35.241 6.151 1.00 8.57 C ATOM 437 CD2 LEU A 589 -3.289 33.380 5.382 1.00 8.89 C ATOM 438 HA LEU A 589 -4.040 34.251 2.791 1.00 0.00 H ATOM 439 HB2 LEU A 589 -2.941 36.620 4.285 1.00 0.00 H ATOM 440 HB3 LEU A 589 -4.370 35.708 4.826 1.00 0.00 H ATOM 441 HG LEU A 589 -1.765 34.358 4.243 1.00 0.00 H ATOM 442 HD21 LEU A 589 -4.093 33.650 6.067 1.00 0.00 H ATOM 443 HD22 LEU A 589 -3.710 32.904 4.496 1.00 0.00 H ATOM 444 HD23 LEU A 589 -2.605 32.690 5.876 1.00 0.00 H ATOM 445 HD11 LEU A 589 -1.245 36.088 5.831 1.00 0.00 H ATOM 446 HD12 LEU A 589 -2.603 35.580 6.864 1.00 0.00 H ATOM 447 HD13 LEU A 589 -1.215 34.492 6.622 1.00 0.00 H ATOM 448 H LEU A 589 -1.755 35.962 2.366 1.00 0.00 H ATOM 449 N GLN A 590 -4.802 37.355 1.951 1.00 8.06 N ATOM 450 CA GLN A 590 -5.917 38.143 1.460 1.00 9.21 C ATOM 451 C GLN A 590 -6.462 37.578 0.151 1.00 9.43 C ATOM 452 O GLN A 590 -7.681 37.536 -0.022 1.00 11.17 O ATOM 453 CB GLN A 590 -5.426 39.600 1.254 1.00 11.64 C ATOM 454 CG GLN A 590 -5.090 40.377 2.445 1.00 18.90 C ATOM 455 CD GLN A 590 -4.560 41.792 2.175 1.00 21.34 C ATOM 456 OE1 GLN A 590 -4.602 42.641 3.091 1.00 24.71 O ATOM 457 NE2 GLN A 590 -4.053 42.046 0.951 1.00 25.18 N ATOM 458 HA GLN A 590 -6.729 38.114 2.187 1.00 0.00 H ATOM 459 HB2 GLN A 590 -4.534 39.558 0.629 1.00 0.00 H ATOM 460 HB3 GLN A 590 -6.213 40.138 0.725 1.00 0.00 H ATOM 461 HG2 GLN A 590 -5.989 40.464 3.056 1.00 0.00 H ATOM 462 HG3 GLN A 590 -4.327 39.831 3.000 1.00 0.00 H ATOM 463 HE22 GLN A 590 -4.044 41.300 0.227 1.00 0.00 H ATOM 464 HE21 GLN A 590 -3.671 42.988 0.732 1.00 0.00 H ATOM 465 H GLN A 590 -3.865 37.800 2.030 1.00 0.00 H ATOM 466 N ASP A 591 -5.587 37.122 -0.735 1.00 8.80 N ATOM 467 CA ASP A 591 -5.985 36.546 -1.984 1.00 9.59 C ATOM 468 C ASP A 591 -6.805 35.259 -1.802 1.00 9.21 C ATOM 469 O ASP A 591 -7.522 34.874 -2.723 1.00 11.51 O ATOM 470 CB ASP A 591 -4.752 36.215 -2.856 1.00 10.12 C ATOM 471 CG ASP A 591 -4.009 37.406 -3.469 1.00 10.42 C ATOM 472 OD1 ASP A 591 -4.506 38.550 -3.375 1.00 12.20 O ATOM 473 OD2 ASP A 591 -2.925 37.186 -4.071 1.00 11.15 O ATOM 474 HA ASP A 591 -6.609 37.293 -2.475 1.00 0.00 H ATOM 475 HB2 ASP A 591 -4.044 35.667 -2.234 1.00 0.00 H ATOM 476 HB3 ASP A 591 -5.086 35.576 -3.674 1.00 0.00 H ATOM 477 H ASP A 591 -4.573 37.185 -0.514 1.00 0.00 H ATOM 478 N ASN A 592 -6.676 34.636 -0.633 1.00 8.94 N ATOM 479 CA ASN A 592 -7.319 33.379 -0.286 1.00 8.80 C ATOM 480 C ASN A 592 -8.257 33.511 0.909 1.00 8.64 C ATOM 481 O ASN A 592 -8.485 32.556 1.649 1.00 9.27 O ATOM 482 CB ASN A 592 -6.255 32.319 -0.053 1.00 8.94 C ATOM 483 CG ASN A 592 -5.600 31.898 -1.335 1.00 9.17 C ATOM 484 OD1 ASN A 592 -6.188 31.181 -2.152 1.00 11.02 O ATOM 485 ND2 ASN A 592 -4.362 32.335 -1.574 1.00 10.27 N ATOM 486 HA ASN A 592 -7.950 33.075 -1.122 1.00 0.00 H ATOM 487 HB2 ASN A 592 -5.495 32.722 0.616 1.00 0.00 H ATOM 488 HB3 ASN A 592 -6.719 31.448 0.409 1.00 0.00 H ATOM 489 HD22 ASN A 592 -3.880 32.938 -0.877 1.00 0.00 H ATOM 490 HD21 ASN A 592 -3.879 32.073 -2.457 1.00 0.00 H ATOM 491 H ASN A 592 -6.070 35.081 0.086 1.00 0.00 H ATOM 492 N ASN A 593 -8.867 34.688 1.105 1.00 9.36 N ATOM 493 CA ASN A 593 -9.941 34.845 2.085 1.00 10.70 C ATOM 494 C ASN A 593 -9.547 34.606 3.520 1.00 9.64 C ATOM 495 O ASN A 593 -10.373 34.201 4.348 1.00 10.83 O ATOM 496 CB ASN A 593 -11.151 33.954 1.764 1.00 12.21 C ATOM 497 CG ASN A 593 -11.588 34.120 0.406 1.00 13.86 C ATOM 498 OD1 ASN A 593 -11.745 35.246 -0.094 1.00 16.67 O ATOM 499 ND2 ASN A 593 -11.779 33.013 -0.270 1.00 15.63 N ATOM 500 HA ASN A 593 -10.201 35.900 1.994 1.00 0.00 H ATOM 501 HB2 ASN A 593 -10.874 32.912 1.921 1.00 0.00 H ATOM 502 HB3 ASN A 593 -11.970 34.216 2.433 1.00 0.00 H ATOM 503 HD22 ASN A 593 -11.635 32.091 0.190 1.00 0.00 H ATOM 504 HD21 ASN A 593 -12.074 33.056 -1.266 1.00 0.00 H ATOM 505 H ASN A 593 -8.569 35.512 0.545 1.00 0.00 H ATOM 506 N TRP A 594 -8.280 34.834 3.864 1.00 9.11 N ATOM 507 CA TRP A 594 -7.819 34.638 5.239 1.00 8.61 C ATOM 508 C TRP A 594 -8.147 33.197 5.693 1.00 8.20 C ATOM 509 O TRP A 594 -8.396 32.940 6.880 1.00 10.26 O ATOM 510 CB TRP A 594 -8.295 35.697 6.206 1.00 10.41 C ATOM 511 CG TRP A 594 -7.669 37.003 5.852 1.00 10.32 C ATOM 512 CD1 TRP A 594 -8.132 37.959 4.971 1.00 12.64 C ATOM 513 CD2 TRP A 594 -6.376 37.471 6.256 1.00 9.88 C ATOM 514 NE1 TRP A 594 -7.197 38.955 4.817 1.00 13.75 N ATOM 515 CE2 TRP A 594 -6.123 38.678 5.615 1.00 11.35 C ATOM 516 CE3 TRP A 594 -5.416 36.976 7.138 1.00 10.12 C ATOM 517 CZ2 TRP A 594 -4.939 39.400 5.835 1.00 13.25 C ATOM 518 CZ3 TRP A 594 -4.269 37.672 7.363 1.00 11.37 C ATOM 519 CH2 TRP A 594 -4.027 38.881 6.675 1.00 12.64 C ATOM 520 HA TRP A 594 -6.736 34.763 5.247 1.00 0.00 H ATOM 521 HB2 TRP A 594 -9.380 35.784 6.146 1.00 0.00 H ATOM 522 HB3 TRP A 594 -8.010 35.419 7.221 1.00 0.00 H ATOM 523 HE1 TRP A 594 -7.292 39.783 4.195 1.00 0.00 H ATOM 524 HD1 TRP A 594 -9.099 37.929 4.470 1.00 0.00 H ATOM 525 HZ2 TRP A 594 -4.764 40.355 5.339 1.00 0.00 H ATOM 526 HH2 TRP A 594 -3.083 39.403 6.828 1.00 0.00 H ATOM 527 HZ3 TRP A 594 -3.535 37.296 8.076 1.00 0.00 H ATOM 528 HE3 TRP A 594 -5.585 36.028 7.649 1.00 0.00 H ATOM 529 H TRP A 594 -7.606 35.158 3.141 1.00 0.00 H ATOM 530 N ASP A 595 -8.000 32.285 4.762 1.00 7.59 N ATOM 531 CA ASP A 595 -8.257 30.855 4.957 1.00 7.40 C ATOM 532 C ASP A 595 -6.893 30.174 4.906 1.00 6.70 C ATOM 533 O ASP A 595 -6.285 30.106 3.815 1.00 7.18 O ATOM 534 CB ASP A 595 -9.205 30.420 3.833 1.00 7.30 C ATOM 535 CG ASP A 595 -9.398 28.938 3.678 1.00 7.43 C ATOM 536 OD1 ASP A 595 -8.697 28.141 4.332 1.00 8.04 O ATOM 537 OD2 ASP A 595 -10.222 28.607 2.792 1.00 8.16 O ATOM 538 HA ASP A 595 -8.732 30.597 5.904 1.00 0.00 H ATOM 539 HB2 ASP A 595 -10.180 30.866 4.026 1.00 0.00 H ATOM 540 HB3 ASP A 595 -8.810 30.806 2.893 1.00 0.00 H ATOM 541 H ASP A 595 -7.680 32.597 3.823 1.00 0.00 H ATOM 542 N TYR A 596 -6.358 29.792 6.041 1.00 7.14 N ATOM 543 CA TYR A 596 -4.963 29.365 6.137 1.00 7.54 C ATOM 544 C TYR A 596 -4.709 28.126 5.291 1.00 7.97 C ATOM 545 O TYR A 596 -3.720 28.055 4.559 1.00 8.40 O ATOM 546 CB TYR A 596 -4.575 29.159 7.585 1.00 7.94 C ATOM 547 CG TYR A 596 -3.102 29.147 7.863 1.00 8.00 C ATOM 548 CD1 TYR A 596 -2.291 28.059 7.579 1.00 8.47 C ATOM 549 CD2 TYR A 596 -2.524 30.255 8.434 1.00 8.10 C ATOM 550 CE1 TYR A 596 -0.923 28.082 7.876 1.00 8.79 C ATOM 551 CE2 TYR A 596 -1.174 30.286 8.784 1.00 8.65 C ATOM 552 CZ TYR A 596 -0.379 29.209 8.499 1.00 8.33 C ATOM 553 OH TYR A 596 0.939 29.256 8.848 1.00 10.12 O ATOM 554 HA TYR A 596 -4.327 30.154 5.735 1.00 0.00 H ATOM 555 HB3 TYR A 596 -4.986 28.203 7.910 1.00 0.00 H ATOM 556 HB2 TYR A 596 -5.021 29.963 8.170 1.00 0.00 H ATOM 557 HD2 TYR A 596 -3.139 31.136 8.619 1.00 0.00 H ATOM 558 HE2 TYR A 596 -0.755 31.161 9.281 1.00 0.00 H ATOM 559 HE1 TYR A 596 -0.290 27.231 7.624 1.00 0.00 H ATOM 560 HD1 TYR A 596 -2.725 27.172 7.117 1.00 0.00 H ATOM 561 HH TYR A 596 1.381 28.412 8.579 1.00 0.00 H ATOM 562 H TYR A 596 -6.945 29.793 6.900 1.00 0.00 H ATOM 563 N THR A 597 -5.585 27.121 5.400 1.00 9.22 N ATOM 564 CA THR A 597 -5.436 25.890 4.622 1.00 10.67 C ATOM 565 C THR A 597 -5.391 26.171 3.154 1.00 9.92 C ATOM 566 O THR A 597 -4.548 25.626 2.404 1.00 10.28 O ATOM 567 CB THR A 597 -6.735 24.939 4.907 1.00 14.07 C ATOM 568 OG1 THR A 597 -6.646 24.531 6.240 1.00 18.72 O ATOM 569 CG2 THR A 597 -6.894 23.763 3.966 1.00 15.81 C ATOM 570 HA THR A 597 -4.504 25.409 4.919 1.00 0.00 H ATOM 571 HB THR A 597 -7.636 25.522 4.717 1.00 0.00 H ATOM 572 HG1 THR A 597 -7.417 23.949 6.458 1.00 0.00 H ATOM 573 HG23 THR A 597 -6.959 24.126 2.940 1.00 0.00 H ATOM 574 HG21 THR A 597 -6.033 23.102 4.064 1.00 0.00 H ATOM 575 HG22 THR A 597 -7.804 23.218 4.218 1.00 0.00 H ATOM 576 H THR A 597 -6.390 27.216 6.052 1.00 0.00 H ATOM 577 N ARG A 598 -6.328 26.976 2.661 1.00 9.37 N ATOM 578 CA ARG A 598 -6.352 27.317 1.272 1.00 9.16 C ATOM 579 C ARG A 598 -5.115 28.072 0.844 1.00 8.08 C ATOM 580 O ARG A 598 -4.547 27.798 -0.221 1.00 8.68 O ATOM 581 CB ARG A 598 -7.591 28.148 0.990 1.00 9.73 C ATOM 582 CG ARG A 598 -7.725 28.619 -0.400 1.00 10.21 C ATOM 583 CD ARG A 598 -8.974 29.359 -0.594 1.00 12.26 C ATOM 584 NE ARG A 598 -8.909 30.060 -1.825 1.00 19.35 N ATOM 585 CZ ARG A 598 -9.932 30.555 -2.453 1.00 18.20 C ATOM 586 NH1 ARG A 598 -11.140 30.487 -1.954 1.00 15.88 N ATOM 587 NH2 ARG A 598 -9.677 31.225 -3.568 1.00 21.21 N ATOM 588 HA ARG A 598 -6.374 26.391 0.697 1.00 0.00 H ATOM 589 HB2 ARG A 598 -8.465 27.542 1.227 1.00 0.00 H ATOM 590 HB3 ARG A 598 -7.568 29.021 1.642 1.00 0.00 H ATOM 591 HG2 ARG A 598 -6.885 29.272 -0.636 1.00 0.00 H ATOM 592 HG3 ARG A 598 -7.714 27.759 -1.069 1.00 0.00 H ATOM 593 HD2 ARG A 598 -9.110 30.067 0.223 1.00 0.00 H ATOM 594 HD3 ARG A 598 -9.812 28.663 -0.613 1.00 0.00 H ATOM 595 HE ARG A 598 -7.972 30.187 -2.257 1.00 0.00 H ATOM 596 HH12 ARG A 598 -11.942 30.892 -2.478 1.00 0.00 H ATOM 597 HH11 ARG A 598 -11.298 30.028 -1.034 1.00 0.00 H ATOM 598 HH22 ARG A 598 -10.457 31.644 -4.113 1.00 0.00 H ATOM 599 HH21 ARG A 598 -8.696 31.332 -3.898 1.00 0.00 H ATOM 600 H ARG A 598 -7.055 27.364 3.296 1.00 0.00 H ATOM 601 N SER A 599 -4.678 29.020 1.668 1.00 7.49 N ATOM 602 CA SER A 599 -3.494 29.812 1.395 1.00 7.22 C ATOM 603 C SER A 599 -2.254 28.939 1.300 1.00 7.12 C ATOM 604 O SER A 599 -1.412 29.159 0.430 1.00 7.93 O ATOM 605 CB SER A 599 -3.332 30.855 2.477 1.00 7.65 C ATOM 606 OG SER A 599 -4.422 31.784 2.522 1.00 8.65 O ATOM 607 HA SER A 599 -3.617 30.305 0.431 1.00 0.00 H ATOM 608 HB2 SER A 599 -2.411 31.408 2.293 1.00 0.00 H ATOM 609 HB3 SER A 599 -3.265 30.350 3.441 1.00 0.00 H ATOM 610 HG SER A 599 -5.264 31.294 2.697 1.00 0.00 H ATOM 611 H SER A 599 -5.207 29.201 2.545 1.00 0.00 H ATOM 612 N ALA A 600 -2.115 27.997 2.215 1.00 7.97 N ATOM 613 CA ALA A 600 -0.967 27.104 2.199 1.00 8.63 C ATOM 614 C ALA A 600 -0.950 26.249 0.937 1.00 9.00 C ATOM 615 O ALA A 600 0.111 26.060 0.315 1.00 8.94 O ATOM 616 CB ALA A 600 -0.984 26.219 3.474 1.00 9.96 C ATOM 617 HA ALA A 600 -0.055 27.701 2.194 1.00 0.00 H ATOM 618 HB1 ALA A 600 -0.938 26.856 4.357 1.00 0.00 H ATOM 619 HB2 ALA A 600 -1.902 25.632 3.495 1.00 0.00 H ATOM 620 HB3 ALA A 600 -0.124 25.550 3.462 1.00 0.00 H ATOM 621 H ALA A 600 -2.836 27.892 2.957 1.00 0.00 H ATOM 622 N GLN A 601 -2.091 25.735 0.531 1.00 8.61 N ATOM 623 CA GLN A 601 -2.168 24.967 -0.699 1.00 9.11 C ATOM 624 C GLN A 601 -1.811 25.820 -1.883 1.00 8.27 C ATOM 625 O GLN A 601 -1.039 25.383 -2.784 1.00 9.45 O ATOM 626 CB GLN A 601 -3.573 24.335 -0.831 1.00 9.68 C ATOM 627 CG GLN A 601 -3.610 23.352 -1.907 1.00 12.98 C ATOM 628 CD GLN A 601 -5.005 22.952 -2.246 1.00 13.74 C ATOM 629 OE1 GLN A 601 -5.465 23.300 -3.333 1.00 16.57 O ATOM 630 NE2 GLN A 601 -5.697 22.237 -1.369 1.00 15.45 N ATOM 631 HA GLN A 601 -1.440 24.156 -0.668 1.00 0.00 H ATOM 632 HB2 GLN A 601 -3.832 23.845 0.108 1.00 0.00 H ATOM 633 HB3 GLN A 601 -4.298 25.121 -1.042 1.00 0.00 H ATOM 634 HG2 GLN A 601 -3.141 23.781 -2.793 1.00 0.00 H ATOM 635 HG3 GLN A 601 -3.055 22.467 -1.596 1.00 0.00 H ATOM 636 HE22 GLN A 601 -5.265 21.966 -0.462 1.00 0.00 H ATOM 637 HE21 GLN A 601 -6.671 21.947 -1.588 1.00 0.00 H ATOM 638 H GLN A 601 -2.950 25.881 1.099 1.00 0.00 H ATOM 639 N ALA A 602 -2.356 27.014 -1.951 1.00 8.17 N ATOM 640 CA ALA A 602 -2.112 27.913 -3.061 1.00 8.59 C ATOM 641 C ALA A 602 -0.637 28.275 -3.172 1.00 7.98 C ATOM 642 O ALA A 602 -0.050 28.300 -4.268 1.00 8.84 O ATOM 643 CB ALA A 602 -2.975 29.146 -2.924 1.00 9.78 C ATOM 644 HA ALA A 602 -2.382 27.402 -3.985 1.00 0.00 H ATOM 645 HB1 ALA A 602 -4.025 28.854 -2.921 1.00 0.00 H ATOM 646 HB2 ALA A 602 -2.735 29.654 -1.990 1.00 0.00 H ATOM 647 HB3 ALA A 602 -2.785 29.816 -3.763 1.00 0.00 H ATOM 648 H ALA A 602 -2.984 27.324 -1.182 1.00 0.00 H ATOM 649 N PHE A 603 -0.029 28.571 -2.035 1.00 7.66 N ATOM 650 CA PHE A 603 1.390 28.882 -1.983 1.00 7.95 C ATOM 651 C PHE A 603 2.230 27.700 -2.482 1.00 7.55 C ATOM 652 O PHE A 603 3.119 27.880 -3.298 1.00 8.14 O ATOM 653 CB PHE A 603 1.771 29.247 -0.527 1.00 8.12 C ATOM 654 CG PHE A 603 3.261 29.315 -0.312 1.00 7.42 C ATOM 655 CD1 PHE A 603 3.991 30.417 -0.675 1.00 7.98 C ATOM 656 CD2 PHE A 603 3.967 28.229 0.187 1.00 9.32 C ATOM 657 CE1 PHE A 603 5.348 30.457 -0.542 1.00 8.73 C ATOM 658 CE2 PHE A 603 5.316 28.256 0.322 1.00 10.03 C ATOM 659 CZ PHE A 603 6.026 29.393 -0.073 1.00 9.44 C ATOM 660 HA PHE A 603 1.596 29.729 -2.638 1.00 0.00 H ATOM 661 HB2 PHE A 603 1.340 30.219 -0.287 1.00 0.00 H ATOM 662 HB3 PHE A 603 1.357 28.492 0.141 1.00 0.00 H ATOM 663 HD2 PHE A 603 3.423 27.331 0.478 1.00 0.00 H ATOM 664 HE2 PHE A 603 5.843 27.396 0.736 1.00 0.00 H ATOM 665 HZ PHE A 603 7.113 29.418 -0.002 1.00 0.00 H ATOM 666 HE1 PHE A 603 5.890 31.361 -0.819 1.00 0.00 H ATOM 667 HD1 PHE A 603 3.473 31.286 -1.081 1.00 0.00 H ATOM 668 H PHE A 603 -0.582 28.581 -1.154 1.00 0.00 H ATOM 669 N THR A 604 1.959 26.517 -1.952 1.00 8.45 N ATOM 670 CA THR A 604 2.757 25.355 -2.292 1.00 9.43 C ATOM 671 C THR A 604 2.674 25.057 -3.786 1.00 9.14 C ATOM 672 O THR A 604 3.680 24.687 -4.420 1.00 9.89 O ATOM 673 CB THR A 604 2.259 24.142 -1.412 1.00 12.54 C ATOM 674 OG1 THR A 604 2.512 24.417 -0.044 1.00 16.96 O ATOM 675 CG2 THR A 604 2.989 22.889 -1.756 1.00 15.37 C ATOM 676 HA THR A 604 3.809 25.540 -2.078 1.00 0.00 H ATOM 677 HB THR A 604 1.194 24.011 -1.603 1.00 0.00 H ATOM 678 HG1 THR A 604 2.028 25.239 0.221 1.00 0.00 H ATOM 679 HG23 THR A 604 2.817 22.646 -2.804 1.00 0.00 H ATOM 680 HG21 THR A 604 4.056 23.033 -1.586 1.00 0.00 H ATOM 681 HG22 THR A 604 2.626 22.075 -1.129 1.00 0.00 H ATOM 682 H THR A 604 1.166 26.420 -1.286 1.00 0.00 H ATOM 683 N HIS A 605 1.501 25.230 -4.381 1.00 8.54 N ATOM 684 CA HIS A 605 1.287 25.013 -5.806 1.00 9.62 C ATOM 685 C HIS A 605 2.168 25.939 -6.634 1.00 8.02 C ATOM 686 O HIS A 605 2.866 25.527 -7.566 1.00 9.68 O ATOM 687 CB HIS A 605 -0.225 25.305 -6.053 1.00 11.49 C ATOM 688 CG HIS A 605 -0.694 25.130 -7.439 1.00 13.49 C ATOM 689 ND1 HIS A 605 -1.309 26.090 -8.224 1.00 16.77 N ATOM 690 CD2 HIS A 605 -0.731 24.000 -8.166 1.00 13.44 C ATOM 691 CE1 HIS A 605 -1.632 25.565 -9.410 1.00 15.19 C ATOM 692 NE2 HIS A 605 -1.304 24.288 -9.382 1.00 17.70 N ATOM 693 HA HIS A 605 1.550 23.998 -6.103 1.00 0.00 H ATOM 694 HB2 HIS A 605 -0.804 24.635 -5.417 1.00 0.00 H ATOM 695 HB3 HIS A 605 -0.418 26.338 -5.762 1.00 0.00 H ATOM 696 HD2 HIS A 605 -0.369 23.023 -7.846 1.00 0.00 H ATOM 697 HE1 HIS A 605 -2.084 26.096 -10.248 1.00 0.00 H ATOM 698 H HIS A 605 0.694 25.536 -3.801 1.00 0.00 H ATOM 699 N LEU A 606 2.117 27.228 -6.328 1.00 7.19 N ATOM 700 CA LEU A 606 2.872 28.224 -7.089 1.00 7.41 C ATOM 701 C LEU A 606 4.386 28.103 -6.826 1.00 7.16 C ATOM 702 O LEU A 606 5.176 28.328 -7.754 1.00 7.96 O ATOM 703 CB LEU A 606 2.364 29.628 -6.775 1.00 7.93 C ATOM 704 CG LEU A 606 0.996 29.930 -7.401 1.00 9.02 C ATOM 705 CD1 LEU A 606 0.297 31.052 -6.691 1.00 10.30 C ATOM 706 CD2 LEU A 606 1.140 30.241 -8.862 1.00 11.54 C ATOM 707 HA LEU A 606 2.714 28.033 -8.151 1.00 0.00 H ATOM 708 HB2 LEU A 606 2.281 29.733 -5.693 1.00 0.00 H ATOM 709 HB3 LEU A 606 3.086 30.351 -7.154 1.00 0.00 H ATOM 710 HG LEU A 606 0.381 29.037 -7.292 1.00 0.00 H ATOM 711 HD21 LEU A 606 1.785 31.111 -8.985 1.00 0.00 H ATOM 712 HD22 LEU A 606 1.581 29.385 -9.373 1.00 0.00 H ATOM 713 HD23 LEU A 606 0.158 30.452 -9.286 1.00 0.00 H ATOM 714 HD11 LEU A 606 0.145 30.780 -5.646 1.00 0.00 H ATOM 715 HD12 LEU A 606 0.908 31.953 -6.748 1.00 0.00 H ATOM 716 HD13 LEU A 606 -0.668 31.235 -7.164 1.00 0.00 H ATOM 717 H LEU A 606 1.527 27.538 -5.529 1.00 0.00 H ATOM 718 N LYS A 607 4.772 27.772 -5.595 1.00 7.39 N ATOM 719 CA LYS A 607 6.184 27.632 -5.264 1.00 7.74 C ATOM 720 C LYS A 607 6.797 26.517 -6.120 1.00 7.69 C ATOM 721 O LYS A 607 7.869 26.676 -6.702 1.00 8.91 O ATOM 722 CB LYS A 607 6.380 27.351 -3.775 1.00 9.08 C ATOM 723 CG LYS A 607 7.811 27.196 -3.377 1.00 12.36 C ATOM 724 CD LYS A 607 8.508 28.405 -3.158 1.00 17.04 C ATOM 725 CE LYS A 607 9.810 28.185 -2.366 1.00 19.76 C ATOM 726 NZ LYS A 607 9.864 26.944 -1.596 1.00 26.07 N ATOM 727 HA LYS A 607 6.692 28.571 -5.482 1.00 0.00 H ATOM 728 HB2 LYS A 607 5.953 28.179 -3.209 1.00 0.00 H ATOM 729 HB3 LYS A 607 5.851 26.431 -3.526 1.00 0.00 H ATOM 730 HG2 LYS A 607 7.844 26.615 -2.455 1.00 0.00 H ATOM 731 HG3 LYS A 607 8.324 26.649 -4.168 1.00 0.00 H ATOM 732 HD2 LYS A 607 8.753 28.850 -4.122 1.00 0.00 H ATOM 733 HD3 LYS A 607 7.866 29.085 -2.598 1.00 0.00 H ATOM 734 HE2 LYS A 607 9.929 29.018 -1.673 1.00 0.00 H ATOM 735 HE3 LYS A 607 10.639 28.180 -3.073 1.00 0.00 H ATOM 736 HZ1 LYS A 607 9.088 26.933 -0.903 1.00 0.00 H ATOM 737 HZ2 LYS A 607 9.766 26.133 -2.240 1.00 0.00 H ATOM 738 HZ3 LYS A 607 10.775 26.885 -1.099 1.00 0.00 H ATOM 739 H LYS A 607 4.055 27.611 -4.859 1.00 0.00 H ATOM 740 N ALA A 608 6.112 25.381 -6.204 1.00 8.02 N ATOM 741 CA ALA A 608 6.642 24.233 -6.947 1.00 8.25 C ATOM 742 C ALA A 608 6.867 24.588 -8.402 1.00 7.89 C ATOM 743 O ALA A 608 7.799 24.084 -9.040 1.00 9.20 O ATOM 744 CB ALA A 608 5.684 23.065 -6.822 1.00 9.77 C ATOM 745 HA ALA A 608 7.606 23.952 -6.523 1.00 0.00 H ATOM 746 HB1 ALA A 608 5.573 22.799 -5.771 1.00 0.00 H ATOM 747 HB2 ALA A 608 4.714 23.347 -7.231 1.00 0.00 H ATOM 748 HB3 ALA A 608 6.079 22.212 -7.374 1.00 0.00 H ATOM 749 H ALA A 608 5.186 25.305 -5.736 1.00 0.00 H ATOM 750 N LYS A 609 6.000 25.411 -8.978 1.00 7.65 N ATOM 751 CA LYS A 609 6.101 25.858 -10.358 1.00 8.43 C ATOM 752 C LYS A 609 7.214 26.860 -10.592 1.00 8.36 C ATOM 753 O LYS A 609 7.472 27.207 -11.731 1.00 9.77 O ATOM 754 CB LYS A 609 4.774 26.428 -10.835 1.00 10.13 C ATOM 755 CG LYS A 609 3.652 25.467 -10.887 1.00 11.22 C ATOM 756 CD LYS A 609 2.517 26.177 -11.556 1.00 16.55 C ATOM 757 CE LYS A 609 1.388 26.488 -10.809 1.00 19.42 C ATOM 758 NZ LYS A 609 0.253 26.669 -11.828 1.00 22.72 N ATOM 759 HA LYS A 609 6.353 24.973 -10.942 1.00 0.00 H ATOM 760 HB2 LYS A 609 4.493 27.237 -10.160 1.00 0.00 H ATOM 761 HB3 LYS A 609 4.921 26.828 -11.838 1.00 0.00 H ATOM 762 HG2 LYS A 609 3.937 24.586 -11.462 1.00 0.00 H ATOM 763 HG3 LYS A 609 3.367 25.165 -9.879 1.00 0.00 H ATOM 764 HD2 LYS A 609 2.911 27.115 -11.946 1.00 0.00 H ATOM 765 HD3 LYS A 609 2.190 25.549 -12.385 1.00 0.00 H ATOM 766 HE2 LYS A 609 1.545 27.409 -10.247 1.00 0.00 H ATOM 767 HE3 LYS A 609 1.154 25.678 -10.118 1.00 0.00 H ATOM 768 HZ1 LYS A 609 0.497 27.438 -12.484 1.00 0.00 H ATOM 769 HZ2 LYS A 609 0.123 25.785 -12.361 1.00 0.00 H ATOM 770 HZ3 LYS A 609 -0.627 26.905 -11.327 1.00 0.00 H ATOM 771 H LYS A 609 5.201 25.757 -8.409 1.00 0.00 H ATOM 772 N GLY A 610 7.827 27.362 -9.526 1.00 8.66 N ATOM 773 CA GLY A 610 8.871 28.354 -9.673 1.00 9.92 C ATOM 774 C GLY A 610 8.345 29.737 -10.023 1.00 10.49 C ATOM 775 O GLY A 610 9.082 30.562 -10.511 1.00 12.52 O ATOM 776 HA3 GLY A 610 9.547 28.030 -10.465 1.00 0.00 H ATOM 777 HA2 GLY A 610 9.420 28.420 -8.734 1.00 0.00 H ATOM 778 H GLY A 610 7.554 27.039 -8.576 1.00 0.00 H ATOM 779 N GLU A 611 7.057 29.967 -9.780 1.00 10.31 N ATOM 780 CA GLU A 611 6.383 31.184 -10.248 1.00 11.07 C ATOM 781 C GLU A 611 6.266 32.266 -9.212 1.00 9.94 C ATOM 782 O GLU A 611 5.912 33.399 -9.595 1.00 11.95 O ATOM 783 CB GLU A 611 4.985 30.828 -10.823 1.00 12.45 C ATOM 784 CG GLU A 611 4.987 30.089 -12.129 1.00 15.01 C ATOM 785 CD GLU A 611 3.583 29.721 -12.678 1.00 16.69 C ATOM 786 OE1 GLU A 611 2.503 30.195 -12.226 1.00 21.09 O ATOM 787 OE2 GLU A 611 3.561 28.892 -13.651 1.00 18.77 O ATOM 788 HA GLU A 611 7.019 31.599 -11.030 1.00 0.00 H ATOM 789 HB2 GLU A 611 4.468 30.210 -10.089 1.00 0.00 H ATOM 790 HB3 GLU A 611 4.434 31.758 -10.965 1.00 0.00 H ATOM 791 HG2 GLU A 611 5.487 30.713 -12.870 1.00 0.00 H ATOM 792 HG3 GLU A 611 5.550 29.166 -11.994 1.00 0.00 H ATOM 793 H GLU A 611 6.512 29.263 -9.242 1.00 0.00 H ATOM 794 N ILE A 612 6.545 32.041 -7.953 1.00 9.53 N ATOM 795 CA ILE A 612 6.432 33.141 -6.980 1.00 9.54 C ATOM 796 C ILE A 612 7.598 34.062 -7.222 1.00 9.99 C ATOM 797 O ILE A 612 8.748 33.608 -7.253 1.00 11.76 O ATOM 798 CB ILE A 612 6.409 32.619 -5.552 1.00 8.87 C ATOM 799 CG1 ILE A 612 5.227 31.657 -5.362 1.00 9.33 C ATOM 800 CG2 ILE A 612 6.269 33.793 -4.582 1.00 9.60 C ATOM 801 CD1 ILE A 612 5.179 31.038 -4.009 1.00 9.36 C ATOM 802 HA ILE A 612 5.493 33.678 -7.112 1.00 0.00 H ATOM 803 HB ILE A 612 7.339 32.086 -5.353 1.00 0.00 H ATOM 804 HG12 ILE A 612 4.302 32.211 -5.522 1.00 0.00 H ATOM 805 HG13 ILE A 612 5.306 30.862 -6.103 1.00 0.00 H ATOM 806 HD11 ILE A 612 6.094 30.471 -3.838 1.00 0.00 H ATOM 807 HD12 ILE A 612 5.089 31.821 -3.256 1.00 0.00 H ATOM 808 HD13 ILE A 612 4.319 30.371 -3.946 1.00 0.00 H ATOM 809 HG21 ILE A 612 7.114 34.470 -4.708 1.00 0.00 H ATOM 810 HG22 ILE A 612 5.341 34.326 -4.790 1.00 0.00 H ATOM 811 HG23 ILE A 612 6.253 33.417 -3.559 1.00 0.00 H ATOM 812 H ILE A 612 6.844 31.094 -7.643 1.00 0.00 H ATOM 813 N PRO A 613 7.370 35.376 -7.322 1.00 10.62 N ATOM 814 CA PRO A 613 8.461 36.311 -7.564 1.00 12.23 C ATOM 815 C PRO A 613 9.502 36.181 -6.434 1.00 11.09 C ATOM 816 O PRO A 613 9.169 36.083 -5.248 1.00 10.16 O ATOM 817 CB PRO A 613 7.711 37.674 -7.583 1.00 13.29 C ATOM 818 CG PRO A 613 6.400 37.382 -8.100 1.00 14.33 C ATOM 819 CD PRO A 613 6.077 36.074 -7.406 1.00 12.36 C ATOM 820 HA PRO A 613 9.034 36.156 -8.478 1.00 0.00 H ATOM 821 HD3 PRO A 613 5.670 36.255 -6.411 1.00 0.00 H ATOM 822 HD2 PRO A 613 5.362 35.494 -7.989 1.00 0.00 H ATOM 823 HG3 PRO A 613 6.418 37.263 -9.183 1.00 0.00 H ATOM 824 HG2 PRO A 613 5.685 38.160 -7.833 1.00 0.00 H ATOM 825 HB2 PRO A 613 7.641 38.085 -6.576 1.00 0.00 H ATOM 826 HB3 PRO A 613 8.227 38.384 -8.229 1.00 0.00 H ATOM 827 N GLU A 614 10.798 36.244 -6.794 1.00 13.78 N ATOM 828 CA GLU A 614 11.851 36.127 -5.814 1.00 14.33 C ATOM 829 C GLU A 614 11.778 37.215 -4.719 1.00 12.40 C ATOM 830 O GLU A 614 12.190 36.993 -3.559 1.00 13.02 O ATOM 831 CB GLU A 614 13.240 36.118 -6.447 1.00 17.54 C ATOM 832 CG GLU A 614 13.794 34.747 -6.757 1.00 23.10 C ATOM 833 CD GLU A 614 15.203 34.844 -7.340 1.00 29.32 C ATOM 834 OE1 GLU A 614 15.392 35.626 -8.294 1.00 32.74 O ATOM 835 OE2 GLU A 614 16.119 34.204 -6.803 1.00 35.96 O ATOM 836 HA GLU A 614 11.686 35.161 -5.337 1.00 0.00 H ATOM 837 HB2 GLU A 614 13.190 36.681 -7.379 1.00 0.00 H ATOM 838 HB3 GLU A 614 13.927 36.613 -5.761 1.00 0.00 H ATOM 839 HG2 GLU A 614 13.827 34.160 -5.839 1.00 0.00 H ATOM 840 HG3 GLU A 614 13.143 34.254 -7.479 1.00 0.00 H ATOM 841 H GLU A 614 11.044 36.379 -7.795 1.00 0.00 H ATOM 842 N VAL A 615 11.255 38.391 -5.050 1.00 10.68 N ATOM 843 CA VAL A 615 11.125 39.437 -4.012 1.00 9.95 C ATOM 844 C VAL A 615 10.235 38.990 -2.858 1.00 8.56 C ATOM 845 O VAL A 615 10.357 39.530 -1.736 1.00 9.04 O ATOM 846 CB VAL A 615 10.585 40.760 -4.592 1.00 9.97 C ATOM 847 CG1 VAL A 615 11.641 41.467 -5.445 1.00 11.24 C ATOM 848 CG2 VAL A 615 9.273 40.574 -5.340 1.00 10.05 C ATOM 849 HA VAL A 615 12.132 39.606 -3.630 1.00 0.00 H ATOM 850 HB VAL A 615 10.362 41.411 -3.747 1.00 0.00 H ATOM 851 HG11 VAL A 615 12.514 41.688 -4.831 1.00 0.00 H ATOM 852 HG12 VAL A 615 11.932 40.819 -6.272 1.00 0.00 H ATOM 853 HG13 VAL A 615 11.227 42.396 -5.838 1.00 0.00 H ATOM 854 HG21 VAL A 615 9.423 39.880 -6.167 1.00 0.00 H ATOM 855 HG22 VAL A 615 8.522 40.173 -4.659 1.00 0.00 H ATOM 856 HG23 VAL A 615 8.938 41.536 -5.728 1.00 0.00 H ATOM 857 H VAL A 615 10.942 38.573 -6.025 1.00 0.00 H ATOM 858 N ALA A 616 9.357 38.003 -3.048 1.00 8.30 N ATOM 859 CA ALA A 616 8.488 37.553 -1.985 1.00 7.83 C ATOM 860 C ALA A 616 9.220 36.947 -0.825 1.00 8.28 C ATOM 861 O ALA A 616 8.664 36.863 0.271 1.00 8.94 O ATOM 862 CB ALA A 616 7.468 36.537 -2.530 1.00 8.62 C ATOM 863 HA ALA A 616 7.983 38.443 -1.611 1.00 0.00 H ATOM 864 HB1 ALA A 616 6.868 37.008 -3.308 1.00 0.00 H ATOM 865 HB2 ALA A 616 7.998 35.680 -2.947 1.00 0.00 H ATOM 866 HB3 ALA A 616 6.819 36.205 -1.720 1.00 0.00 H ATOM 867 H ALA A 616 9.297 37.548 -3.981 1.00 0.00 H ATOM 868 N PHE A 617 10.441 36.461 -1.046 1.00 10.20 N ATOM 869 CA PHE A 617 11.215 35.776 -0.022 1.00 11.68 C ATOM 870 C PHE A 617 12.323 36.635 0.576 1.00 13.41 C ATOM 871 O PHE A 617 13.020 36.179 1.473 1.00 17.13 O ATOM 872 CB PHE A 617 11.817 34.471 -0.611 1.00 12.60 C ATOM 873 CG PHE A 617 10.766 33.509 -1.073 1.00 11.81 C ATOM 874 CD1 PHE A 617 10.093 32.699 -0.198 1.00 11.71 C ATOM 875 CD2 PHE A 617 10.395 33.522 -2.371 1.00 13.32 C ATOM 876 CE1 PHE A 617 9.107 31.854 -0.616 1.00 12.73 C ATOM 877 CE2 PHE A 617 9.382 32.702 -2.819 1.00 14.85 C ATOM 878 CZ PHE A 617 8.728 31.872 -1.921 1.00 13.88 C ATOM 879 HA PHE A 617 10.528 35.547 0.793 1.00 0.00 H ATOM 880 HB2 PHE A 617 12.450 34.730 -1.459 1.00 0.00 H ATOM 881 HB3 PHE A 617 12.420 33.987 0.157 1.00 0.00 H ATOM 882 HD2 PHE A 617 10.901 34.187 -3.071 1.00 0.00 H ATOM 883 HE2 PHE A 617 9.097 32.706 -3.871 1.00 0.00 H ATOM 884 HZ PHE A 617 7.911 31.235 -2.261 1.00 0.00 H ATOM 885 HE1 PHE A 617 8.629 31.173 0.088 1.00 0.00 H ATOM 886 HD1 PHE A 617 10.352 32.730 0.860 1.00 0.00 H ATOM 887 H PHE A 617 10.859 36.576 -1.991 1.00 0.00 H ATOM 888 N MET A 618 12.466 37.878 0.147 1.00 13.21 N ATOM 889 CA MET A 618 13.433 38.815 0.755 1.00 14.03 C ATOM 890 C MET A 618 12.945 39.494 2.015 1.00 14.83 C ATOM 891 O MET A 618 11.827 39.933 2.087 1.00 16.00 O ATOM 892 CB MET A 618 13.719 39.940 -0.241 1.00 14.64 C ATOM 893 CG MET A 618 14.317 39.498 -1.515 1.00 15.30 C ATOM 894 SD MET A 618 14.589 40.875 -2.653 1.00 17.74 S ATOM 895 CE MET A 618 15.071 39.843 -3.837 1.00 17.87 C ATOM 896 HA MET A 618 14.303 38.209 1.008 1.00 0.00 H ATOM 897 HB2 MET A 618 12.778 40.444 -0.464 1.00 0.00 H ATOM 898 HB3 MET A 618 14.405 40.645 0.230 1.00 0.00 H ATOM 899 HG2 MET A 618 13.648 38.779 -1.987 1.00 0.00 H ATOM 900 HG3 MET A 618 15.274 39.019 -1.307 1.00 0.00 H ATOM 901 HE1 MET A 618 15.944 39.285 -3.498 1.00 0.00 H ATOM 902 HE2 MET A 618 14.261 39.150 -4.065 1.00 0.00 H ATOM 903 HE3 MET A 618 15.326 40.412 -4.731 1.00 0.00 H ATOM 904 H MET A 618 11.878 38.207 -0.645 1.00 0.00 H ATOM 905 N LYS A 619 13.836 39.665 3.024 1.00 17.71 N ATOM 906 CA LYS A 619 13.450 40.446 4.200 1.00 19.81 C ATOM 907 C LYS A 619 13.084 41.884 3.892 1.00 19.16 C ATOM 908 O LYS A 619 12.247 42.460 4.620 1.00 21.83 O ATOM 909 CB LYS A 619 14.571 40.428 5.244 1.00 22.07 C ATOM 910 CG LYS A 619 14.757 39.092 5.916 1.00 27.04 C ATOM 911 CD LYS A 619 15.935 39.142 6.884 1.00 32.00 C ATOM 912 CE LYS A 619 16.240 37.782 7.474 1.00 35.36 C ATOM 913 NZ LYS A 619 17.622 37.808 8.051 1.00 38.27 N ATOM 914 HA LYS A 619 12.552 39.965 4.588 1.00 0.00 H ATOM 915 OXT LYS A 619 13.657 42.377 2.896 1.00 18.07 O ATOM 916 HB2 LYS A 619 15.505 40.697 4.750 1.00 0.00 H ATOM 917 HB3 LYS A 619 14.340 41.169 6.010 1.00 0.00 H ATOM 918 HG2 LYS A 619 13.851 38.837 6.466 1.00 0.00 H ATOM 919 HG3 LYS A 619 14.947 38.332 5.158 1.00 0.00 H ATOM 920 HD2 LYS A 619 16.815 39.500 6.350 1.00 0.00 H ATOM 921 HD3 LYS A 619 15.697 39.832 7.693 1.00 0.00 H ATOM 922 HE2 LYS A 619 16.182 37.022 6.695 1.00 0.00 H ATOM 923 HE3 LYS A 619 15.519 37.552 8.258 1.00 0.00 H ATOM 924 HZ1 LYS A 619 18.306 38.029 7.299 1.00 0.00 H ATOM 925 HZ2 LYS A 619 17.673 38.535 8.793 1.00 0.00 H ATOM 926 HZ3 LYS A 619 17.843 36.878 8.460 1.00 0.00 H ATOM 927 H LYS A 619 14.785 39.245 2.962 1.00 0.00 H TER 928 LYS A 619 HETATM 929 O HOH 1 -2.707 42.326 17.433 1.00 31.84 O HETATM 930 O HOH 2 -11.330 41.661 16.128 1.00 20.15 O HETATM 931 O HOH 3 -9.620 38.050 17.924 1.00 40.84 O HETATM 932 O HOH 4 -11.814 37.627 6.537 1.00 30.90 O HETATM 933 O HOH 5 2.944 43.436 8.560 1.00 29.48 O HETATM 934 O HOH 6 5.290 42.179 12.847 1.00 39.03 O HETATM 935 O HOH 7 -6.059 36.284 17.914 1.00 24.71 O HETATM 936 O HOH 8 9.229 39.371 9.475 1.00 26.47 O HETATM 937 O HOH 9 10.624 37.376 6.321 1.00 26.90 O HETATM 938 O HOH 10 11.514 32.344 10.119 1.00 26.54 O HETATM 939 O HOH 11 -0.693 24.686 6.748 1.00 31.50 O HETATM 940 O HOH 12 1.203 21.843 9.672 1.00 21.60 O HETATM 941 O HOH 13 3.629 24.875 4.157 1.00 29.92 O HETATM 942 O HOH 14 7.902 25.452 1.704 1.00 33.84 O HETATM 943 O HOH 15 12.426 30.022 3.147 1.00 28.87 O HETATM 944 O HOH 16 -11.442 37.861 3.300 1.00 35.87 O HETATM 945 O HOH 17 -13.228 33.887 7.639 1.00 27.84 O HETATM 946 O HOH 18 -10.668 26.391 8.258 1.00 19.58 O HETATM 947 O HOH 19 -0.533 21.391 -0.232 1.00 31.77 O HETATM 948 O HOH 20 5.515 20.826 -2.963 1.00 34.22 O HETATM 949 O HOH 21 8.425 23.175 -4.049 1.00 19.86 O HETATM 950 O HOH 22 12.186 29.908 -0.849 1.00 31.34 O HETATM 951 O HOH 23 12.071 30.871 -3.986 1.00 34.84 O HETATM 952 O HOH 24 9.479 22.389 -1.338 1.00 32.74 O HETATM 953 O HOH 25 9.296 33.302 -13.113 1.00 24.37 O HETATM 954 O HOH 26 12.456 32.983 -10.791 1.00 37.73 O HETATM 955 O HOH 27 7.396 37.208 -11.141 1.00 51.54 O HETATM 956 O HOH 28 9.780 37.198 -11.148 1.00201.18 O HETATM 957 O HOH 29 5.000 37.216 -11.142 1.00 43.48 O HETATM 958 O HOH 30 16.761 36.755 -3.997 1.00 31.27 O HETATM 959 O HOH 31 13.503 40.359 -8.565 1.00 27.05 O HETATM 960 O HOH 32 17.255 38.202 1.107 1.00 30.65 O HETATM 961 O HOH 33 8.070 39.588 11.911 1.00 43.32 O HETATM 962 O HOH 34 2.761 27.699 3.681 1.00 16.36 O HETATM 963 O HOH 35 18.236 38.023 -1.934 1.00 43.85 O HETATM 964 O HOH 36 -4.057 46.497 4.216 1.00 32.87 O HETATM 965 O HOH 37 -1.270 46.571 5.101 1.00 23.82 O HETATM 966 O HOH 38 -6.769 46.267 5.615 1.00 41.48 O HETATM 967 O HOH 39 -7.846 48.334 8.106 1.00 20.90 O HETATM 968 O HOH 40 -2.984 44.091 13.349 1.00 24.23 O HETATM 969 O HOH 41 -10.671 38.956 11.518 1.00 27.58 O HETATM 970 O HOH 42 -2.713 39.645 17.295 1.00 21.95 O HETATM 971 O HOH 43 -11.500 37.947 14.243 1.00 28.44 O HETATM 972 O HOH 44 -12.066 32.246 14.350 1.00 23.93 O HETATM 973 O HOH 45 -9.623 39.326 15.736 1.00 16.78 O HETATM 974 O HOH 46 -10.163 36.869 8.974 1.00 28.01 O HETATM 975 O HOH 47 -8.163 43.549 7.841 1.00 20.77 O HETATM 976 O HOH 48 -0.014 44.587 10.279 1.00 29.76 O HETATM 977 O HOH 49 3.154 42.686 11.157 1.00 33.47 O HETATM 978 O HOH 50 -0.074 38.908 16.940 1.00 37.62 O HETATM 979 O HOH 51 -4.276 38.052 19.374 1.00 35.15 O HETATM 980 O HOH 52 1.104 33.607 15.129 1.00 14.54 O HETATM 981 O HOH 53 6.429 36.029 11.496 1.00 18.92 O HETATM 982 O HOH 54 3.722 33.057 14.745 1.00 21.00 O HETATM 983 O HOH 55 8.173 36.717 9.558 1.00 21.59 O HETATM 984 O HOH 56 9.667 34.438 6.737 1.00 17.47 O HETATM 985 O HOH 57 6.094 33.603 13.873 1.00 30.93 O HETATM 986 O HOH 58 9.679 34.168 10.964 1.00 31.34 O HETATM 987 O HOH 59 10.457 31.544 7.645 1.00 14.36 O HETATM 988 O HOH 60 7.353 25.345 6.830 1.00 17.62 O HETATM 989 O HOH 61 6.367 25.941 3.714 1.00 29.06 O HETATM 990 O HOH 62 1.222 24.139 9.766 1.00 36.67 O HETATM 991 O HOH 63 4.272 24.775 11.277 1.00 23.64 O HETATM 992 O HOH 64 9.364 28.460 1.167 1.00 22.48 O HETATM 993 O HOH 65 12.826 32.909 2.970 1.00 25.70 O HETATM 994 O HOH 66 11.529 36.291 4.097 1.00 26.17 O HETATM 995 O HOH 67 4.065 47.059 5.910 1.00 16.81 O HETATM 996 O HOH 68 2.097 42.816 6.123 1.00 22.87 O HETATM 997 O HOH 69 -0.534 45.158 7.485 1.00 35.10 O HETATM 998 O HOH 70 -2.118 42.269 -3.450 1.00 27.57 O HETATM 999 O HOH 71 -9.830 38.313 1.489 1.00 23.02 O HETATM 1000 O HOH 72 -6.372 45.399 3.137 1.00 50.05 O HETATM 1001 O HOH 73 -3.583 45.096 0.272 1.00 38.60 O HETATM 1002 O HOH 74 -6.775 39.956 -2.913 1.00 27.68 O HETATM 1003 O HOH 75 -7.282 32.882 -4.507 1.00 17.40 O HETATM 1004 O HOH 76 -4.010 40.869 -1.907 1.00 21.26 O HETATM 1005 O HOH 77 -7.118 36.248 -5.205 1.00 22.98 O HETATM 1006 O HOH 78 -12.901 35.345 2.438 1.00 25.82 O HETATM 1007 O HOH 79 -12.779 35.052 5.307 1.00 20.61 O HETATM 1008 O HOH 80 -7.433 40.933 2.741 1.00 26.66 O HETATM 1009 O HOH 81 -10.340 33.737 8.637 1.00 22.15 O HETATM 1010 O HOH 82 -8.590 27.297 6.904 1.00 15.19 O HETATM 1011 O HOH 83 -7.576 21.900 7.038 1.00 24.42 O HETATM 1012 O HOH 84 -3.245 23.185 2.824 1.00 17.90 O HETATM 1013 O HOH 85 -0.306 22.580 -3.070 1.00 19.51 O HETATM 1014 O HOH 86 -4.631 21.277 1.372 1.00 23.31 O HETATM 1015 O HOH 87 -3.789 24.213 -5.523 1.00 19.71 O HETATM 1016 O HOH 88 -0.535 22.841 1.851 1.00 27.47 O HETATM 1017 O HOH 89 -2.097 28.868 -6.262 1.00 15.62 O HETATM 1018 O HOH 90 5.969 23.672 -3.026 1.00 15.99 O HETATM 1019 O HOH 91 6.129 24.451 -0.361 1.00 24.94 O HETATM 1020 O HOH 92 10.397 28.022 -6.412 1.00 24.65 O HETATM 1021 O HOH 93 9.882 24.699 -2.067 1.00 37.81 O HETATM 1022 O HOH 94 10.343 24.876 -5.125 1.00 18.75 O HETATM 1023 O HOH 95 11.556 27.723 -4.582 1.00 34.85 O HETATM 1024 O HOH 96 13.376 27.272 -1.394 1.00 37.40 O HETATM 1025 O HOH 97 10.305 24.982 -7.991 1.00 13.14 O HETATM 1026 O HOH 98 -0.703 28.572 -11.038 1.00 25.06 O HETATM 1027 O HOH 99 8.518 28.879 -13.759 1.00 23.20 O HETATM 1028 O HOH 100 11.837 30.023 -11.199 1.00 19.66 O HETATM 1029 O HOH 101 9.008 31.339 -14.009 1.00 20.60 O HETATM 1030 O HOH 102 6.357 34.736 -11.778 1.00 22.30 O HETATM 1031 O HOH 103 1.322 27.684 -14.782 1.00 29.28 O HETATM 1032 O HOH 104 0.394 30.059 -12.810 1.00 29.61 O HETATM 1033 O HOH 105 8.571 34.744 -11.201 1.00 29.46 O HETATM 1034 O HOH 106 10.057 33.127 -9.617 1.00 19.96 O HETATM 1035 O HOH 107 10.591 31.939 -6.148 1.00 26.69 O HETATM 1036 O HOH 108 8.408 29.997 -6.745 1.00 13.35 O HETATM 1037 O HOH 109 14.540 35.647 -2.794 1.00 21.66 O HETATM 1038 O HOH 110 16.463 37.770 -6.522 1.00 38.06 O HETATM 1039 O HOH 111 11.666 36.764 -9.158 1.00 26.12 O HETATM 1040 O HOH 112 11.199 39.251 -8.100 1.00 16.68 O HETATM 1041 O HOH 113 10.586 42.233 -1.113 1.00 11.78 O HETATM 1042 O HOH 114 15.687 35.447 -0.305 1.00 42.73 O HETATM 1043 O HOH 115 16.145 42.038 1.879 1.00 23.34 O HETATM 1044 O HOH 116 11.287 40.333 6.424 1.00 28.25 O HETATM 1045 O HOH 117 -5.281 47.640 -13.649 1.00 31.26 O HETATM 1046 O HOH 118 -1.298 42.453 -7.662 1.00 41.66 O HETATM 1047 O HOH 119 -3.757 39.150 -10.555 1.00 25.45 O HETATM 1048 O HOH 120 -3.113 40.767 -7.997 1.00 34.17 O HETATM 1049 O HOH 121 2.527 41.423 -9.288 1.00 18.43 O HETATM 1050 O HOH 122 -6.099 37.241 -11.066 1.00 28.96 O HETATM 1051 O HOH 123 -6.034 34.559 -7.376 1.00 21.46 O HETATM 1052 O HOH 124 -13.242 34.062 -8.438 1.00 39.21 O HETATM 1053 O HOH 125 -11.596 37.033 -2.340 1.00 37.87 O HETATM 1054 O HOH 126 -9.331 38.410 -2.182 1.00 26.88 O HETATM 1055 O HOH 127 -13.461 31.320 -8.755 1.00 35.79 O HETATM 1056 N ASP A 128 -7.197 43.748 -10.846 1.00 0.24 N HETATM 1057 CA ASP A 128 -6.768 42.330 -10.685 1.00 0.08 C HETATM 1058 CB ASP A 128 -7.918 41.351 -10.977 1.00 0.06 C HETATM 1059 CG ASP A 128 -9.224 41.758 -10.312 1.00 0.04 C HETATM 1060 OD1 ASP A 128 -9.220 42.743 -9.524 1.00 -0.57 O HETATM 1061 OD2 ASP A 128 -10.315 41.155 -10.523 1.00 -0.57 O HETATM 1062 H5 ASP A 128 -7.633 40.354 -10.609 1.00 0.05 H HETATM 1063 H6 ASP A 128 -8.076 41.309 -12.065 1.00 0.05 H HETATM 1064 C ASP A 128 -5.567 42.024 -11.578 1.00 0.23 C HETATM 1065 O ASP A 128 -5.394 40.881 -12.033 1.00 -0.39 O HETATM 1066 N ASP A 128 -4.754 43.046 -11.859 1.00 -0.26 N HETATM 1067 CA ASP A 128 -3.490 42.843 -12.575 1.00 0.15 C HETATM 1068 CB ASP A 128 -3.049 44.144 -13.324 1.00 0.08 C HETATM 1069 OG ASP A 128 -2.903 45.188 -12.411 1.00 -0.39 O HETATM 1070 H11 ASP A 128 -2.243 44.956 -11.769 1.00 0.21 H HETATM 1071 H9 ASP A 128 -3.813 44.414 -14.068 1.00 0.06 H HETATM 1072 H10 ASP A 128 -2.090 43.966 -13.832 1.00 0.06 H HETATM 1073 C ASP A 128 -2.373 42.403 -11.629 1.00 0.21 C HETATM 1074 O ASP A 128 -2.284 42.810 -10.460 1.00 -0.39 O HETATM 1075 N ASP A 128 -1.478 41.607 -12.188 1.00 -0.27 N HETATM 1076 CA ASP A 128 -0.259 41.228 -11.546 1.00 0.12 C HETATM 1077 C ASP A 128 -0.350 39.831 -10.952 1.00 0.20 C HETATM 1078 O ASP A 128 -1.140 38.999 -11.384 1.00 -0.39 O HETATM 1079 N ASP A 128 0.505 39.565 -9.989 1.00 -0.26 N HETATM 1080 CA ASP A 128 0.574 38.240 -9.365 1.00 0.14 C HETATM 1081 CB ASP A 128 1.950 38.035 -8.740 1.00 0.02 C HETATM 1082 CG ASP A 128 2.190 36.593 -8.377 1.00 -0.04 C HETATM 1083 CD1 ASP A 128 2.674 35.702 -9.324 1.00 -0.06 C HETATM 1084 CE1 ASP A 128 2.858 34.378 -9.030 1.00 -0.07 C HETATM 1085 CZ ASP A 128 2.570 33.927 -7.746 1.00 -0.07 C HETATM 1086 CE2 ASP A 128 2.102 34.795 -6.816 1.00 -0.07 C HETATM 1087 CD2 ASP A 128 1.894 36.106 -7.115 1.00 -0.06 C HETATM 1088 H20 ASP A 128 1.494 36.773 -6.360 1.00 0.06 H HETATM 1089 H22 ASP A 128 1.889 34.438 -5.815 1.00 0.06 H HETATM 1090 H23 ASP A 128 2.719 32.884 -7.490 1.00 0.06 H HETATM 1091 H21 ASP A 128 3.222 33.692 -9.786 1.00 0.06 H HETATM 1092 H19 ASP A 128 2.912 36.062 -10.318 1.00 0.06 H HETATM 1093 H17 ASP A 128 2.023 38.648 -7.830 1.00 0.05 H HETATM 1094 H18 ASP A 128 2.719 38.354 -9.459 1.00 0.05 H HETATM 1095 C ASP A 128 -0.509 38.063 -8.342 1.00 0.21 C HETATM 1096 O ASP A 128 -0.723 38.940 -7.548 1.00 -0.39 O HETATM 1097 N ASP A 128 -1.203 36.913 -8.377 1.00 -0.26 N HETATM 1098 CA ASP A 128 -2.108 36.586 -7.307 1.00 0.15 C HETATM 1099 CB ASP A 128 -3.476 36.949 -7.571 1.00 0.08 C HETATM 1100 OG ASP A 128 -3.911 36.148 -8.505 1.00 -0.39 O HETATM 1101 H28 ASP A 128 -3.854 35.250 -8.202 1.00 0.21 H HETATM 1102 H26 ASP A 128 -3.530 37.993 -7.913 1.00 0.06 H HETATM 1103 H27 ASP A 128 -4.081 36.830 -6.660 1.00 0.06 H HETATM 1104 C ASP A 128 -1.953 35.139 -6.895 1.00 0.21 C HETATM 1105 O ASP A 128 -1.597 34.275 -7.727 1.00 -0.39 O HETATM 1106 N ASP A 128 -2.223 34.881 -5.643 1.00 -0.26 N HETATM 1107 CA ASP A 128 -2.199 33.509 -5.117 1.00 0.14 C HETATM 1108 CB ASP A 128 -1.728 33.557 -3.664 1.00 0.02 C HETATM 1109 CG ASP A 128 -0.297 33.983 -3.491 1.00 -0.04 C HETATM 1110 CD1 ASP A 128 0.027 35.337 -3.357 1.00 -0.06 C HETATM 1111 CE1 ASP A 128 1.349 35.708 -3.155 1.00 -0.07 C HETATM 1112 CZ ASP A 128 2.339 34.779 -3.062 1.00 -0.07 C HETATM 1113 CE2 ASP A 128 2.049 33.437 -3.192 1.00 -0.07 C HETATM 1114 CD2 ASP A 128 0.719 33.048 -3.389 1.00 -0.06 C HETATM 1115 H34 ASP A 128 0.480 31.993 -3.463 1.00 0.06 H HETATM 1116 H36 ASP A 128 2.838 32.696 -3.142 1.00 0.06 H HETATM 1117 H37 ASP A 128 3.361 35.095 -2.885 1.00 0.06 H HETATM 1118 H35 ASP A 128 1.598 36.760 -3.070 1.00 0.06 H HETATM 1119 H33 ASP A 128 -0.749 36.092 -3.411 1.00 0.06 H HETATM 1120 H31 ASP A 128 -1.843 32.552 -3.231 1.00 0.05 H HETATM 1121 H32 ASP A 128 -2.367 34.267 -3.118 1.00 0.05 H HETATM 1122 C ASP A 128 -3.574 32.853 -5.142 1.00 0.21 C HETATM 1123 O ASP A 128 -4.553 33.449 -4.898 1.00 -0.39 O HETATM 1124 N ASP A 128 -3.654 31.562 -5.253 1.00 -0.27 N HETATM 1125 CA ASP A 128 -4.888 30.739 -5.293 1.00 0.12 C HETATM 1126 C ASP A 128 -5.841 30.951 -6.462 1.00 0.20 C HETATM 1127 O ASP A 128 -5.645 31.816 -7.350 1.00 -0.39 O HETATM 1128 N ASP A 128 -6.929 30.184 -6.458 1.00 -0.26 N HETATM 1129 CA ASP A 128 -7.792 30.078 -7.625 1.00 0.15 C HETATM 1130 CB ASP A 128 -8.585 28.800 -7.473 1.00 0.08 C HETATM 1131 OG ASP A 128 -9.444 28.795 -6.308 1.00 -0.39 O HETATM 1132 H45 ASP A 128 -9.914 27.971 -6.266 1.00 0.21 H HETATM 1133 H43 ASP A 128 -7.880 27.959 -7.391 1.00 0.06 H HETATM 1134 H44 ASP A 128 -9.210 28.668 -8.368 1.00 0.06 H HETATM 1135 C ASP A 128 -8.798 31.203 -7.852 1.00 0.21 C HETATM 1136 O ASP A 128 -9.448 31.239 -8.891 1.00 -0.39 O HETATM 1137 N ASP A 128 -8.891 32.156 -6.928 1.00 -0.27 N HETATM 1138 CA ASP A 128 -9.887 33.229 -7.072 1.00 0.09 C HETATM 1139 CB ASP A 128 -9.827 34.163 -5.878 1.00 -0.02 C HETATM 1140 CG ASP A 128 -11.048 35.083 -5.730 1.00 -0.04 C HETATM 1141 CD ASP A 128 -10.945 35.929 -4.463 1.00 -0.01 C HETATM 1142 CE ASP A 128 -10.910 35.084 -3.174 1.00 -0.04 C HETATM 1143 NZ ASP A 128 -10.223 35.789 -1.999 1.00 0.22 N HETATM 1144 H56 ASP A 128 -10.234 35.185 -1.192 1.00 0.20 H HETATM 1145 H57 ASP A 128 -10.714 36.643 -1.786 1.00 0.20 H HETATM 1146 H58 ASP A 128 -9.269 36.002 -2.246 1.00 0.20 H HETATM 1147 H54 ASP A 128 -10.368 34.150 -3.385 1.00 0.08 H HETATM 1148 H55 ASP A 128 -11.945 34.850 -2.883 1.00 0.08 H HETATM 1149 H52 ASP A 128 -11.815 36.600 -4.418 1.00 0.03 H HETATM 1150 H53 ASP A 128 -10.023 36.527 -4.515 1.00 0.03 H HETATM 1151 H50 ASP A 128 -11.958 34.467 -5.678 1.00 0.03 H HETATM 1152 H51 ASP A 128 -11.105 35.749 -6.604 1.00 0.03 H HETATM 1153 H48 ASP A 128 -8.931 34.794 -5.979 1.00 0.03 H HETATM 1154 H49 ASP A 128 -9.744 33.552 -4.967 1.00 0.03 H HETATM 1155 C ASP A 128 -9.670 34.025 -8.351 1.00 0.06 C HETATM 1156 O ASP A 128 -8.535 34.310 -8.712 1.00 -0.57 O HETATM 1157 OXT ASP A 128 -10.614 34.389 -9.074 1.00 -0.57 O HETATM 1158 H47 ASP A 128 -10.886 32.771 -7.112 1.00 0.07 H HETATM 1159 H46 ASP A 128 -8.283 32.143 -6.134 1.00 0.19 H HETATM 1160 H42 ASP A 128 -7.149 30.016 -8.515 1.00 0.08 H HETATM 1161 H41 ASP A 128 -7.159 29.668 -5.633 1.00 0.19 H HETATM 1162 H39 ASP A 128 -5.450 30.944 -4.370 1.00 0.08 H HETATM 1163 H40 ASP A 128 -4.579 29.683 -5.308 1.00 0.08 H HETATM 1164 H38 ASP A 128 -2.788 31.067 -5.319 1.00 0.19 H HETATM 1165 H30 ASP A 128 -1.502 32.907 -5.718 1.00 0.08 H HETATM 1166 H29 ASP A 128 -2.451 35.636 -5.028 1.00 0.19 H HETATM 1167 H25 ASP A 128 -1.797 37.192 -6.443 1.00 0.08 H HETATM 1168 H24 ASP A 128 -1.091 36.284 -9.147 1.00 0.19 H HETATM 1169 H16 ASP A 128 0.432 37.481 -10.148 1.00 0.08 H HETATM 1170 H15 ASP A 128 1.124 40.285 -9.674 1.00 0.19 H HETATM 1171 H13 ASP A 128 -0.042 41.945 -10.741 1.00 0.08 H HETATM 1172 H14 ASP A 128 0.555 41.249 -12.285 1.00 0.08 H HETATM 1173 H12 ASP A 128 -1.663 41.253 -13.105 1.00 0.19 H HETATM 1174 H8 ASP A 128 -3.646 42.049 -13.320 1.00 0.08 H HETATM 1175 H7 ASP A 128 -5.013 43.969 -11.575 1.00 0.19 H HETATM 1176 H4 ASP A 128 -6.460 42.188 -9.639 1.00 0.11 H HETATM 1177 H1 ASP A 128 -7.989 43.929 -10.249 1.00 0.20 H HETATM 1178 H2 ASP A 128 -7.455 43.914 -11.806 1.00 0.20 H HETATM 1179 H3 ASP A 128 -6.438 44.360 -10.591 1.00 0.20 H CONECT 1056 1057 1177 1178 1179 CONECT 1057 1056 1058 1064 1176 CONECT 1058 1057 1059 1062 1063 CONECT 1059 1058 1060 1061 CONECT 1060 1059 CONECT 1061 1059 CONECT 1062 1058 CONECT 1063 1058 CONECT 1064 1057 1065 1066 CONECT 1065 1064 CONECT 1066 1064 1067 1175 CONECT 1067 1066 1068 1073 1174 CONECT 1068 1067 1069 1071 1072 CONECT 1069 1068 1070 CONECT 1070 1069 CONECT 1071 1068 CONECT 1072 1068 CONECT 1073 1067 1074 1075 CONECT 1074 1073 CONECT 1075 1073 1076 1173 CONECT 1076 1075 1077 1171 1172 CONECT 1077 1076 1078 1079 CONECT 1078 1077 CONECT 1079 1077 1080 1170 CONECT 1080 1079 1081 1095 1169 CONECT 1081 1080 1082 1093 1094 CONECT 1082 1081 1083 1087 CONECT 1083 1082 1084 1092 CONECT 1084 1083 1085 1091 CONECT 1085 1084 1086 1090 CONECT 1086 1085 1087 1089 CONECT 1087 1082 1086 1088 CONECT 1088 1087 CONECT 1089 1086 CONECT 1090 1085 CONECT 1091 1084 CONECT 1092 1083 CONECT 1093 1081 CONECT 1094 1081 CONECT 1095 1080 1096 1097 CONECT 1096 1095 CONECT 1097 1095 1098 1168 CONECT 1098 1097 1099 1104 1167 CONECT 1099 1098 1100 1102 1103 CONECT 1100 1099 1101 CONECT 1101 1100 CONECT 1102 1099 CONECT 1103 1099 CONECT 1104 1098 1105 1106 CONECT 1105 1104 CONECT 1106 1104 1107 1166 CONECT 1107 1106 1108 1122 1165 CONECT 1108 1107 1109 1120 1121 CONECT 1109 1108 1110 1114 CONECT 1110 1109 1111 1119 CONECT 1111 1110 1112 1118 CONECT 1112 1111 1113 1117 CONECT 1113 1112 1114 1116 CONECT 1114 1109 1113 1115 CONECT 1115 1114 CONECT 1116 1113 CONECT 1117 1112 CONECT 1118 1111 CONECT 1119 1110 CONECT 1120 1108 CONECT 1121 1108 CONECT 1122 1107 1123 1124 CONECT 1123 1122 CONECT 1124 1122 1125 1164 CONECT 1125 1124 1126 1162 1163 CONECT 1126 1125 1127 1128 CONECT 1127 1126 CONECT 1128 1126 1129 1161 CONECT 1129 1128 1130 1135 1160 CONECT 1130 1129 1131 1133 1134 CONECT 1131 1130 1132 CONECT 1132 1131 CONECT 1133 1130 CONECT 1134 1130 CONECT 1135 1129 1136 1137 CONECT 1136 1135 CONECT 1137 1135 1138 1159 CONECT 1138 1137 1139 1155 1158 CONECT 1139 1138 1140 1153 1154 CONECT 1140 1139 1141 1151 1152 CONECT 1141 1140 1142 1149 1150 CONECT 1142 1141 1143 1147 1148 CONECT 1143 1142 1144 1145 1146 CONECT 1144 1143 CONECT 1145 1143 CONECT 1146 1143 CONECT 1147 1142 CONECT 1148 1142 CONECT 1149 1141 CONECT 1150 1141 CONECT 1151 1140 CONECT 1152 1140 CONECT 1153 1139 CONECT 1154 1139 CONECT 1155 1138 1156 1157 CONECT 1156 1155 CONECT 1157 1155 CONECT 1158 1138 CONECT 1159 1137 CONECT 1160 1129 CONECT 1161 1128 CONECT 1162 1125 CONECT 1163 1125 CONECT 1164 1124 CONECT 1165 1107 CONECT 1166 1106 CONECT 1167 1098 CONECT 1168 1097 CONECT 1169 1080 CONECT 1170 1079 CONECT 1171 1076 CONECT 1172 1076 CONECT 1173 1075 CONECT 1174 1067 CONECT 1175 1066 CONECT 1176 1057 CONECT 1177 1056 CONECT 1178 1056 CONECT 1179 1056 MASTER 0 0 0 0 0 0 0 0 1178 1 124 5 END
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9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
1oai
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
nuclear rna export factor
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1(Å)
Affinity (Kd/Ki/IC50)
Kd=10uM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol.v326;pp.849
Ligand Properties
Formula
C
4
1
H
6
0
N
1
0
O
1
5
Molecular Weight
932.973
Exact Mass
932.424
No. of atoms
126
No. of bonds
127
Polar Surface Area
423.37
LOGP Value
-6.86 (
Computed with XLOGP3
)
-4.70 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 39
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])CO)CO)Cc1ccccc1)CO
InChI String
InChI=1S/C41H58N10O15/c42-14-8-7-13-26(41(65)66)48-39(63)30(21-53)47-33(56)19-44-36(60)27(15-23-9-3-1-4-10-23)49-40(64)31(22-54)51-38(62)28(16-24-11-5-2-6-12-24)46-32(55)18-45-37(61)29(20-52)50-35(59)25(43)17-34(57)58/h1-6,9-12,25-31,52-54H,7-8,13-22,42-43H2,(H,44,60)(H,45,61)(H,46,55)(H,47,56)(H,48,63)(H,49,64)(H,50,59)(H,51,62)(H,57,58)(H,65,66)/p+2/t25-,26-,27-,28-,29-,30-,31-/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):
Q9UBU9
Entrez Gene ID
NCBI Entrez Gene ID:
10482
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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