Browse entries in the PDBbind-CN Database
HEADER 2V88_COMPLEX COMPND 2V88_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 78 SER PRO GLU PHE GLY TYR TRP ILE THR CYS CYS PRO THR SEQRES 2 A 78 CYS ASP VAL ASP ILE ASN THR TRP VAL PRO PHE TYR SER SEQRES 3 A 78 THR GLU LEU ASN LYS PRO ALA MET ILE TYR CYS SER HIS SEQRES 4 A 78 GLY ASP GLY HIS TRP VAL HIS ALA GLN CYS MET ASP LEU SEQRES 5 A 78 GLU GLU ARG THR LEU ILE HIS LEU SER GLU GLY SER ASN SEQRES 6 A 78 LYS TYR TYR CYS ASN GLU HIS VAL GLN ILE ALA ARG ALA HET ZN A 1 1 HET ZN A 2 1 HET ALA A 201 136 ATOM 1 N SER A 410 -23.439 -13.170 -12.838 1.00 30.65 N ATOM 2 CA SER A 410 -23.958 -12.915 -11.455 1.00 31.13 C ATOM 3 C SER A 410 -22.716 -12.815 -10.530 1.00 31.99 C ATOM 4 O SER A 410 -21.750 -13.481 -10.745 1.00 32.66 O ATOM 5 CB SER A 410 -25.046 -13.833 -11.097 1.00 29.78 C ATOM 6 HA SER A 410 -24.484 -11.966 -11.348 1.00 0.00 H ATOM 7 HB2 SER A 410 -25.871 -13.708 -11.799 1.00 0.00 H ATOM 8 HB3 SER A 410 -24.683 -14.860 -11.140 1.00 0.00 H ATOM 9 HN3 SER A 410 -22.897 -14.058 -12.845 1.00 0.00 H ATOM 10 HN2 SER A 410 -22.823 -12.383 -13.126 1.00 0.00 H ATOM 11 HN1 SER A 410 -24.239 -13.245 -13.499 1.00 0.00 H ATOM 12 N PRO A 411 -22.834 -12.164 -9.381 1.00 32.31 N ATOM 13 CA PRO A 411 -21.540 -12.007 -8.820 1.00 32.79 C ATOM 14 C PRO A 411 -20.902 -12.160 -7.513 1.00 32.84 C ATOM 15 O PRO A 411 -20.614 -11.168 -6.886 1.00 33.37 O ATOM 16 CB PRO A 411 -21.182 -10.605 -9.388 1.00 32.50 C ATOM 17 CG PRO A 411 -22.405 -9.902 -8.944 1.00 32.88 C ATOM 18 CD PRO A 411 -23.568 -10.964 -9.051 1.00 32.25 C ATOM 19 HA PRO A 411 -21.179 -13.017 -9.016 1.00 0.00 H ATOM 20 HD3 PRO A 411 -24.099 -11.069 -8.105 1.00 0.00 H ATOM 21 HD2 PRO A 411 -24.276 -10.701 -9.837 1.00 0.00 H ATOM 22 HG3 PRO A 411 -22.609 -9.048 -9.590 1.00 0.00 H ATOM 23 HG2 PRO A 411 -22.295 -9.560 -7.915 1.00 0.00 H ATOM 24 HB2 PRO A 411 -20.279 -10.192 -8.938 1.00 0.00 H ATOM 25 HB3 PRO A 411 -21.076 -10.611 -10.473 1.00 0.00 H ATOM 26 N GLU A 412 -20.955 -13.399 -7.103 1.00 33.26 N ATOM 27 CA GLU A 412 -19.772 -13.906 -6.451 1.00 33.19 C ATOM 28 C GLU A 412 -19.107 -13.345 -5.237 1.00 33.09 C ATOM 29 O GLU A 412 -18.825 -12.186 -5.104 1.00 31.86 O ATOM 30 CB GLU A 412 -18.759 -14.006 -7.710 1.00 33.12 C ATOM 31 CG GLU A 412 -17.901 -15.203 -7.828 1.00 34.21 C ATOM 32 CD GLU A 412 -18.187 -16.042 -9.078 1.00 34.78 C ATOM 33 OE1 GLU A 412 -19.273 -16.657 -9.119 1.00 34.21 O ATOM 34 OE2 GLU A 412 -17.334 -16.094 -10.004 1.00 34.12 O ATOM 35 HA GLU A 412 -20.104 -14.786 -5.900 1.00 0.00 H ATOM 36 HB2 GLU A 412 -19.363 -13.952 -8.615 1.00 0.00 H ATOM 37 HB3 GLU A 412 -18.099 -13.140 -7.663 1.00 0.00 H ATOM 38 HG2 GLU A 412 -16.861 -14.880 -7.860 1.00 0.00 H ATOM 39 HG3 GLU A 412 -18.059 -15.828 -6.949 1.00 0.00 H ATOM 40 H GLU A 412 -21.802 -13.987 -7.239 1.00 0.00 H ATOM 41 N PHE A 413 -18.979 -14.239 -4.297 1.00 33.67 N ATOM 42 CA PHE A 413 -18.398 -13.918 -3.038 1.00 33.85 C ATOM 43 C PHE A 413 -17.306 -14.925 -2.819 1.00 32.87 C ATOM 44 O PHE A 413 -17.237 -15.933 -3.492 1.00 32.32 O ATOM 45 CB PHE A 413 -19.440 -14.087 -1.944 1.00 36.47 C ATOM 46 CG PHE A 413 -20.649 -13.166 -2.075 1.00 39.78 C ATOM 47 CD1 PHE A 413 -21.897 -13.655 -2.491 1.00 40.94 C ATOM 48 CD2 PHE A 413 -20.576 -11.837 -1.689 1.00 40.27 C ATOM 49 CE1 PHE A 413 -23.052 -12.827 -2.515 1.00 41.33 C ATOM 50 CE2 PHE A 413 -21.738 -11.014 -1.716 1.00 40.83 C ATOM 51 CZ PHE A 413 -22.960 -11.518 -2.119 1.00 41.63 C ATOM 52 HA PHE A 413 -18.026 -12.894 -3.019 1.00 0.00 H ATOM 53 HB2 PHE A 413 -19.793 -15.118 -1.966 1.00 0.00 H ATOM 54 HB3 PHE A 413 -18.962 -13.888 -0.985 1.00 0.00 H ATOM 55 HD2 PHE A 413 -19.624 -11.419 -1.363 1.00 0.00 H ATOM 56 HE2 PHE A 413 -21.662 -9.969 -1.414 1.00 0.00 H ATOM 57 HZ PHE A 413 -23.844 -10.880 -2.122 1.00 0.00 H ATOM 58 HE1 PHE A 413 -24.008 -13.232 -2.847 1.00 0.00 H ATOM 59 HD1 PHE A 413 -21.983 -14.696 -2.803 1.00 0.00 H ATOM 60 H PHE A 413 -19.309 -15.210 -4.471 1.00 0.00 H ATOM 61 N GLY A 414 -16.456 -14.606 -1.859 1.00 29.70 N ATOM 62 CA GLY A 414 -15.401 -15.503 -1.457 1.00 26.72 C ATOM 63 C GLY A 414 -14.008 -15.157 -1.872 1.00 24.87 C ATOM 64 O GLY A 414 -13.779 -14.114 -2.376 1.00 23.08 O ATOM 65 HA3 GLY A 414 -15.631 -16.485 -1.871 1.00 0.00 H ATOM 66 HA2 GLY A 414 -15.414 -15.557 -0.368 1.00 0.00 H ATOM 67 H GLY A 414 -16.550 -13.687 -1.382 1.00 0.00 H ATOM 68 N TYR A 415 -13.093 -16.087 -1.650 1.00 22.62 N ATOM 69 CA TYR A 415 -11.690 -15.913 -1.985 1.00 20.59 C ATOM 70 C TYR A 415 -11.388 -16.120 -3.466 1.00 21.00 C ATOM 71 O TYR A 415 -10.372 -15.642 -3.967 1.00 20.14 O ATOM 72 CB TYR A 415 -10.838 -16.910 -1.185 1.00 19.15 C ATOM 73 CG TYR A 415 -10.672 -16.595 0.281 1.00 17.63 C ATOM 74 CD1 TYR A 415 -11.527 -17.139 1.240 1.00 17.22 C ATOM 75 CD2 TYR A 415 -9.629 -15.781 0.718 1.00 17.39 C ATOM 76 CE1 TYR A 415 -11.337 -16.881 2.604 1.00 18.07 C ATOM 77 CE2 TYR A 415 -9.437 -15.519 2.070 1.00 16.14 C ATOM 78 CZ TYR A 415 -10.287 -16.072 3.005 1.00 14.68 C ATOM 79 OH TYR A 415 -10.068 -15.829 4.343 1.00 18.12 O ATOM 80 HA TYR A 415 -11.447 -14.880 -1.734 1.00 0.00 H ATOM 81 HB3 TYR A 415 -9.846 -16.942 -1.636 1.00 0.00 H ATOM 82 HB2 TYR A 415 -11.305 -17.892 -1.267 1.00 0.00 H ATOM 83 HD2 TYR A 415 -8.951 -15.341 -0.014 1.00 0.00 H ATOM 84 HE2 TYR A 415 -8.616 -14.878 2.390 1.00 0.00 H ATOM 85 HE1 TYR A 415 -12.010 -17.314 3.344 1.00 0.00 H ATOM 86 HD1 TYR A 415 -12.355 -17.774 0.924 1.00 0.00 H ATOM 87 HH TYR A 415 -10.759 -16.293 4.879 1.00 0.00 H ATOM 88 H TYR A 415 -13.392 -16.984 -1.216 1.00 0.00 H ATOM 89 N TRP A 416 -12.270 -16.824 -4.169 1.00 19.07 N ATOM 90 CA TRP A 416 -12.017 -17.119 -5.572 1.00 20.06 C ATOM 91 C TRP A 416 -12.760 -16.298 -6.618 1.00 20.59 C ATOM 92 O TRP A 416 -13.078 -16.784 -7.691 1.00 21.67 O ATOM 93 CB TRP A 416 -12.223 -18.616 -5.798 1.00 18.09 C ATOM 94 CG TRP A 416 -11.444 -19.413 -4.792 1.00 18.59 C ATOM 95 CD1 TRP A 416 -11.948 -20.161 -3.770 1.00 16.76 C ATOM 96 CD2 TRP A 416 -10.015 -19.462 -4.659 1.00 16.44 C ATOM 97 NE1 TRP A 416 -10.924 -20.671 -3.006 1.00 18.35 N ATOM 98 CE2 TRP A 416 -9.728 -20.258 -3.530 1.00 17.13 C ATOM 99 CE3 TRP A 416 -8.952 -18.910 -5.384 1.00 17.13 C ATOM 100 CZ2 TRP A 416 -8.421 -20.514 -3.108 1.00 17.20 C ATOM 101 CZ3 TRP A 416 -7.652 -19.165 -4.964 1.00 14.65 C ATOM 102 CH2 TRP A 416 -7.400 -19.961 -3.836 1.00 15.53 C ATOM 103 HA TRP A 416 -10.985 -16.810 -5.739 1.00 0.00 H ATOM 104 HB2 TRP A 416 -13.283 -18.851 -5.699 1.00 0.00 H ATOM 105 HB3 TRP A 416 -11.886 -18.877 -6.801 1.00 0.00 H ATOM 106 HE1 TRP A 416 -11.039 -21.273 -2.166 1.00 0.00 H ATOM 107 HD1 TRP A 416 -13.009 -20.330 -3.585 1.00 0.00 H ATOM 108 HZ2 TRP A 416 -8.221 -21.131 -2.232 1.00 0.00 H ATOM 109 HH2 TRP A 416 -6.369 -20.143 -3.532 1.00 0.00 H ATOM 110 HZ3 TRP A 416 -6.816 -18.740 -5.519 1.00 0.00 H ATOM 111 HE3 TRP A 416 -9.141 -18.292 -6.262 1.00 0.00 H ATOM 112 H TRP A 416 -13.142 -17.164 -3.716 1.00 0.00 H ATOM 113 N ILE A 417 -13.015 -15.037 -6.297 1.00 21.74 N ATOM 114 CA ILE A 417 -13.680 -14.130 -7.222 1.00 23.03 C ATOM 115 C ILE A 417 -12.639 -13.584 -8.198 1.00 23.47 C ATOM 116 O ILE A 417 -11.440 -13.821 -8.056 1.00 23.08 O ATOM 117 CB ILE A 417 -14.255 -12.906 -6.487 1.00 23.50 C ATOM 118 CG1 ILE A 417 -13.142 -12.257 -5.648 1.00 23.52 C ATOM 119 CG2 ILE A 417 -15.425 -13.307 -5.615 1.00 26.28 C ATOM 120 CD1 ILE A 417 -13.543 -10.963 -4.980 1.00 25.73 C ATOM 121 HA ILE A 417 -14.478 -14.683 -7.717 1.00 0.00 H ATOM 122 HB ILE A 417 -14.622 -12.184 -7.216 1.00 0.00 H ATOM 123 HG12 ILE A 417 -12.842 -12.963 -4.874 1.00 0.00 H ATOM 124 HG13 ILE A 417 -12.294 -12.055 -6.302 1.00 0.00 H ATOM 125 HD11 ILE A 417 -13.835 -10.238 -5.740 1.00 0.00 H ATOM 126 HD12 ILE A 417 -14.383 -11.147 -4.310 1.00 0.00 H ATOM 127 HD13 ILE A 417 -12.700 -10.574 -4.409 1.00 0.00 H ATOM 128 HG21 ILE A 417 -16.206 -13.745 -6.236 1.00 0.00 H ATOM 129 HG22 ILE A 417 -15.093 -14.038 -4.878 1.00 0.00 H ATOM 130 HG23 ILE A 417 -15.815 -12.426 -5.105 1.00 0.00 H ATOM 131 H ILE A 417 -12.733 -14.686 -5.360 1.00 0.00 H ATOM 132 N THR A 418 -13.116 -12.864 -9.202 1.00 21.98 N ATOM 133 CA THR A 418 -12.232 -12.200 -10.145 1.00 22.60 C ATOM 134 C THR A 418 -12.356 -10.790 -9.561 1.00 21.64 C ATOM 135 O THR A 418 -13.336 -10.098 -9.803 1.00 21.83 O ATOM 136 CB THR A 418 -12.789 -12.282 -11.579 1.00 23.34 C ATOM 137 OG1 THR A 418 -12.769 -13.650 -12.016 1.00 23.93 O ATOM 138 CG2 THR A 418 -11.952 -11.445 -12.528 1.00 23.65 C ATOM 139 HA THR A 418 -11.221 -12.595 -10.241 1.00 0.00 H ATOM 140 HB THR A 418 -13.810 -11.899 -11.580 1.00 0.00 H ATOM 141 HG1 THR A 418 -11.838 -13.986 -12.001 1.00 0.00 H ATOM 142 HG23 THR A 418 -11.964 -10.405 -12.201 1.00 0.00 H ATOM 143 HG21 THR A 418 -10.927 -11.815 -12.529 1.00 0.00 H ATOM 144 HG22 THR A 418 -12.366 -11.515 -13.534 1.00 0.00 H ATOM 145 H THR A 418 -14.145 -12.772 -9.318 1.00 0.00 H ATOM 146 N CYS A 419 -11.368 -10.391 -8.761 1.00 18.90 N ATOM 147 CA CYS A 419 -11.412 -9.107 -8.059 1.00 17.46 C ATOM 148 C CYS A 419 -11.306 -7.817 -8.856 1.00 17.84 C ATOM 149 O CYS A 419 -11.743 -6.774 -8.387 1.00 18.34 O ATOM 150 CB CYS A 419 -10.359 -9.083 -6.940 1.00 16.78 C ATOM 151 SG CYS A 419 -8.684 -8.625 -7.444 1.00 15.89 S ATOM 152 HA CYS A 419 -12.440 -9.090 -7.698 1.00 0.00 H ATOM 153 HB2 CYS A 419 -10.315 -10.079 -6.500 1.00 0.00 H ATOM 154 HB3 CYS A 419 -10.689 -8.368 -6.186 1.00 0.00 H ATOM 155 HG CYS A 419 -7.852 -8.646 -6.343 1.00 0.00 H ATOM 156 H CYS A 419 -10.542 -11.009 -8.632 1.00 0.00 H ATOM 157 N CYS A 420 -10.718 -7.881 -10.044 1.00 17.17 N ATOM 158 CA CYS A 420 -10.569 -6.699 -10.882 1.00 15.53 C ATOM 159 C CYS A 420 -10.273 -7.126 -12.320 1.00 15.13 C ATOM 160 O CYS A 420 -10.082 -8.298 -12.597 1.00 16.62 O ATOM 161 CB CYS A 420 -9.444 -5.808 -10.343 1.00 16.39 C ATOM 162 SG CYS A 420 -7.808 -6.567 -10.383 1.00 17.24 S ATOM 163 HA CYS A 420 -11.496 -6.126 -10.867 1.00 0.00 H ATOM 164 HB2 CYS A 420 -9.677 -5.553 -9.309 1.00 0.00 H ATOM 165 HB3 CYS A 420 -9.413 -4.898 -10.942 1.00 0.00 H ATOM 166 HG CYS A 420 -7.816 -7.714 -9.616 1.00 0.00 H ATOM 167 H CYS A 420 -10.356 -8.795 -10.384 1.00 0.00 H ATOM 168 N PRO A 421 -10.250 -6.169 -13.257 1.00 16.60 N ATOM 169 CA PRO A 421 -9.978 -6.478 -14.664 1.00 17.18 C ATOM 170 C PRO A 421 -8.703 -7.279 -14.950 1.00 18.92 C ATOM 171 O PRO A 421 -8.650 -8.032 -15.915 1.00 20.50 O ATOM 172 CB PRO A 421 -9.947 -5.097 -15.307 1.00 17.35 C ATOM 173 CG PRO A 421 -10.982 -4.358 -14.520 1.00 16.18 C ATOM 174 CD PRO A 421 -10.635 -4.754 -13.102 1.00 15.88 C ATOM 175 HA PRO A 421 -10.735 -7.153 -15.063 1.00 0.00 H ATOM 176 HD3 PRO A 421 -9.807 -4.159 -12.717 1.00 0.00 H ATOM 177 HD2 PRO A 421 -11.495 -4.649 -12.441 1.00 0.00 H ATOM 178 HG3 PRO A 421 -11.989 -4.680 -14.787 1.00 0.00 H ATOM 179 HG2 PRO A 421 -10.896 -3.281 -14.664 1.00 0.00 H ATOM 180 HB2 PRO A 421 -8.966 -4.634 -15.203 1.00 0.00 H ATOM 181 HB3 PRO A 421 -10.214 -5.146 -16.363 1.00 0.00 H ATOM 182 N THR A 422 -7.684 -7.121 -14.109 1.00 17.89 N ATOM 183 CA THR A 422 -6.423 -7.825 -14.316 1.00 17.92 C ATOM 184 C THR A 422 -6.120 -8.915 -13.290 1.00 18.92 C ATOM 185 O THR A 422 -5.006 -9.413 -13.237 1.00 19.93 O ATOM 186 CB THR A 422 -5.239 -6.831 -14.332 1.00 17.07 C ATOM 187 OG1 THR A 422 -5.232 -6.074 -13.117 1.00 17.23 O ATOM 188 CG2 THR A 422 -5.355 -5.877 -15.509 1.00 17.03 C ATOM 189 HA THR A 422 -6.543 -8.319 -15.280 1.00 0.00 H ATOM 190 HB THR A 422 -4.313 -7.399 -14.425 1.00 0.00 H ATOM 191 HG1 THR A 422 -4.473 -5.438 -13.130 1.00 0.00 H ATOM 192 HG23 THR A 422 -5.361 -6.447 -16.438 1.00 0.00 H ATOM 193 HG21 THR A 422 -6.281 -5.308 -15.424 1.00 0.00 H ATOM 194 HG22 THR A 422 -4.506 -5.193 -15.506 1.00 0.00 H ATOM 195 H THR A 422 -7.788 -6.486 -13.292 1.00 0.00 H ATOM 196 N CYS A 423 -7.118 -9.282 -12.491 1.00 17.75 N ATOM 197 CA CYS A 423 -6.972 -10.300 -11.449 1.00 18.53 C ATOM 198 C CYS A 423 -6.223 -11.553 -11.898 1.00 19.40 C ATOM 199 O CYS A 423 -6.608 -12.204 -12.862 1.00 19.22 O ATOM 200 CB CYS A 423 -8.356 -10.698 -10.915 1.00 17.64 C ATOM 201 SG CYS A 423 -8.345 -12.001 -9.654 1.00 16.89 S ATOM 202 HA CYS A 423 -6.365 -9.843 -10.667 1.00 0.00 H ATOM 203 HB2 CYS A 423 -8.956 -11.046 -11.756 1.00 0.00 H ATOM 204 HB3 CYS A 423 -8.819 -9.812 -10.482 1.00 0.00 H ATOM 205 HG CYS A 423 -7.607 -11.580 -8.567 1.00 0.00 H ATOM 206 H CYS A 423 -8.044 -8.825 -12.612 1.00 0.00 H ATOM 207 N ASP A 424 -5.166 -11.885 -11.158 1.00 19.12 N ATOM 208 CA ASP A 424 -4.308 -13.038 -11.435 1.00 21.94 C ATOM 209 C ASP A 424 -4.579 -14.224 -10.511 1.00 23.23 C ATOM 210 O ASP A 424 -3.957 -15.275 -10.645 1.00 24.48 O ATOM 211 CB ASP A 424 -2.835 -12.635 -11.284 1.00 20.40 C ATOM 212 CG ASP A 424 -2.296 -11.923 -12.499 1.00 20.73 C ATOM 213 OD1 ASP A 424 -1.367 -11.103 -12.334 1.00 22.69 O ATOM 214 OD2 ASP A 424 -2.784 -12.196 -13.616 1.00 20.88 O ATOM 215 HA ASP A 424 -4.532 -13.351 -12.455 1.00 0.00 H ATOM 216 HB2 ASP A 424 -2.741 -11.974 -10.422 1.00 0.00 H ATOM 217 HB3 ASP A 424 -2.243 -13.535 -11.116 1.00 0.00 H ATOM 218 H ASP A 424 -4.937 -11.290 -10.336 1.00 0.00 H ATOM 219 N VAL A 425 -5.492 -14.048 -9.562 1.00 22.48 N ATOM 220 CA VAL A 425 -5.808 -15.124 -8.635 1.00 22.70 C ATOM 221 C VAL A 425 -6.858 -16.047 -9.224 1.00 23.25 C ATOM 222 O VAL A 425 -7.934 -15.613 -9.590 1.00 25.35 O ATOM 223 CB VAL A 425 -6.307 -14.569 -7.294 1.00 20.61 C ATOM 224 CG1 VAL A 425 -6.767 -15.710 -6.397 1.00 20.54 C ATOM 225 CG2 VAL A 425 -5.187 -13.784 -6.619 1.00 23.80 C ATOM 226 HA VAL A 425 -4.892 -15.688 -8.461 1.00 0.00 H ATOM 227 HB VAL A 425 -7.152 -13.904 -7.470 1.00 0.00 H ATOM 228 HG11 VAL A 425 -7.577 -16.251 -6.886 1.00 0.00 H ATOM 229 HG12 VAL A 425 -5.933 -16.388 -6.217 1.00 0.00 H ATOM 230 HG13 VAL A 425 -7.119 -15.305 -5.448 1.00 0.00 H ATOM 231 HG21 VAL A 425 -4.336 -14.443 -6.446 1.00 0.00 H ATOM 232 HG22 VAL A 425 -4.884 -12.959 -7.264 1.00 0.00 H ATOM 233 HG23 VAL A 425 -5.543 -13.391 -5.667 1.00 0.00 H ATOM 234 H VAL A 425 -5.984 -13.135 -9.481 1.00 0.00 H ATOM 235 N ASP A 426 -6.524 -17.328 -9.317 1.00 22.56 N ATOM 236 CA ASP A 426 -7.429 -18.322 -9.874 1.00 22.29 C ATOM 237 C ASP A 426 -7.396 -19.554 -8.976 1.00 21.13 C ATOM 238 O ASP A 426 -6.333 -19.974 -8.525 1.00 20.37 O ATOM 239 CB ASP A 426 -6.984 -18.662 -11.308 1.00 25.29 C ATOM 240 CG ASP A 426 -7.928 -19.618 -12.015 1.00 27.31 C ATOM 241 OD1 ASP A 426 -8.053 -19.512 -13.254 1.00 33.83 O ATOM 242 OD2 ASP A 426 -8.531 -20.484 -11.354 1.00 28.87 O ATOM 243 HA ASP A 426 -8.450 -17.944 -9.918 1.00 0.00 H ATOM 244 HB2 ASP A 426 -6.931 -17.738 -11.883 1.00 0.00 H ATOM 245 HB3 ASP A 426 -5.995 -19.119 -11.265 1.00 0.00 H ATOM 246 H ASP A 426 -5.587 -17.631 -8.982 1.00 0.00 H ATOM 247 N ILE A 427 -8.566 -20.125 -8.709 1.00 19.75 N ATOM 248 CA ILE A 427 -8.644 -21.295 -7.843 1.00 20.26 C ATOM 249 C ILE A 427 -7.922 -22.489 -8.466 1.00 19.04 C ATOM 250 O ILE A 427 -7.589 -23.445 -7.778 1.00 17.75 O ATOM 251 CB ILE A 427 -10.119 -21.678 -7.551 1.00 21.35 C ATOM 252 CG1 ILE A 427 -10.178 -22.711 -6.421 1.00 22.15 C ATOM 253 CG2 ILE A 427 -10.774 -22.239 -8.809 1.00 21.60 C ATOM 254 CD1 ILE A 427 -11.587 -23.058 -5.976 1.00 22.44 C ATOM 255 HA ILE A 427 -8.154 -21.035 -6.905 1.00 0.00 H ATOM 256 HB ILE A 427 -10.661 -20.785 -7.242 1.00 0.00 H ATOM 257 HG12 ILE A 427 -9.692 -23.624 -6.765 1.00 0.00 H ATOM 258 HG13 ILE A 427 -9.635 -22.313 -5.563 1.00 0.00 H ATOM 259 HD11 ILE A 427 -12.085 -22.158 -5.617 1.00 0.00 H ATOM 260 HD12 ILE A 427 -12.142 -23.470 -6.819 1.00 0.00 H ATOM 261 HD13 ILE A 427 -11.542 -23.795 -5.174 1.00 0.00 H ATOM 262 HG21 ILE A 427 -10.749 -21.486 -9.597 1.00 0.00 H ATOM 263 HG22 ILE A 427 -10.231 -23.126 -9.135 1.00 0.00 H ATOM 264 HG23 ILE A 427 -11.809 -22.504 -8.591 1.00 0.00 H ATOM 265 H ILE A 427 -9.436 -19.733 -9.123 1.00 0.00 H ATOM 266 N ASN A 428 -7.676 -22.417 -9.772 1.00 18.56 N ATOM 267 CA ASN A 428 -6.990 -23.493 -10.489 1.00 20.62 C ATOM 268 C ASN A 428 -5.484 -23.281 -10.660 1.00 18.88 C ATOM 269 O ASN A 428 -4.802 -24.145 -11.201 1.00 19.46 O ATOM 270 CB ASN A 428 -7.609 -23.678 -11.879 1.00 24.01 C ATOM 271 CG ASN A 428 -9.055 -24.117 -11.817 1.00 27.89 C ATOM 272 OD1 ASN A 428 -9.358 -25.204 -11.351 1.00 30.88 O ATOM 273 ND2 ASN A 428 -9.958 -23.261 -12.290 1.00 29.78 N ATOM 274 HA ASN A 428 -7.121 -24.379 -9.867 1.00 0.00 H ATOM 275 HB2 ASN A 428 -7.554 -22.731 -12.415 1.00 0.00 H ATOM 276 HB3 ASN A 428 -7.037 -24.433 -12.419 1.00 0.00 H ATOM 277 HD22 ASN A 428 -9.653 -22.345 -12.678 1.00 0.00 H ATOM 278 HD21 ASN A 428 -10.968 -23.508 -12.272 1.00 0.00 H ATOM 279 H ASN A 428 -7.980 -21.573 -10.298 1.00 0.00 H ATOM 280 N THR A 429 -4.961 -22.145 -10.202 1.00 18.94 N ATOM 281 CA THR A 429 -3.534 -21.875 -10.364 1.00 16.82 C ATOM 282 C THR A 429 -2.815 -21.243 -9.168 1.00 18.36 C ATOM 283 O THR A 429 -1.590 -21.305 -9.089 1.00 17.01 O ATOM 284 CB THR A 429 -3.280 -20.942 -11.573 1.00 18.60 C ATOM 285 OG1 THR A 429 -3.845 -19.655 -11.302 1.00 17.23 O ATOM 286 CG2 THR A 429 -3.910 -21.504 -12.847 1.00 17.35 C ATOM 287 HA THR A 429 -3.121 -22.875 -10.497 1.00 0.00 H ATOM 288 HB THR A 429 -2.203 -20.863 -11.725 1.00 0.00 H ATOM 289 HG1 THR A 429 -3.684 -19.056 -12.074 1.00 0.00 H ATOM 290 HG23 THR A 429 -3.484 -22.485 -13.059 1.00 0.00 H ATOM 291 HG21 THR A 429 -4.987 -21.597 -12.708 1.00 0.00 H ATOM 292 HG22 THR A 429 -3.707 -20.830 -13.679 1.00 0.00 H ATOM 293 H THR A 429 -5.570 -21.448 -9.728 1.00 0.00 H ATOM 294 N TRP A 430 -3.571 -20.640 -8.253 1.00 16.56 N ATOM 295 CA TRP A 430 -3.003 -19.950 -7.087 1.00 15.83 C ATOM 296 C TRP A 430 -1.994 -20.692 -6.204 1.00 15.67 C ATOM 297 O TRP A 430 -2.111 -21.885 -5.969 1.00 16.00 O ATOM 298 CB TRP A 430 -4.129 -19.444 -6.185 1.00 15.21 C ATOM 299 CG TRP A 430 -3.640 -18.612 -5.033 1.00 14.99 C ATOM 300 CD1 TRP A 430 -3.390 -17.269 -5.037 1.00 14.67 C ATOM 301 CD2 TRP A 430 -3.311 -19.078 -3.721 1.00 14.16 C ATOM 302 NE1 TRP A 430 -2.928 -16.869 -3.807 1.00 15.25 N ATOM 303 CE2 TRP A 430 -2.868 -17.958 -2.979 1.00 12.94 C ATOM 304 CE3 TRP A 430 -3.345 -20.335 -3.098 1.00 14.48 C ATOM 305 CZ2 TRP A 430 -2.460 -18.054 -1.644 1.00 12.52 C ATOM 306 CZ3 TRP A 430 -2.937 -20.432 -1.767 1.00 14.56 C ATOM 307 CH2 TRP A 430 -2.502 -19.295 -1.056 1.00 12.24 C ATOM 308 HA TRP A 430 -2.415 -19.162 -7.558 1.00 0.00 H ATOM 309 HB2 TRP A 430 -4.808 -18.839 -6.785 1.00 0.00 H ATOM 310 HB3 TRP A 430 -4.667 -20.304 -5.787 1.00 0.00 H ATOM 311 HE1 TRP A 430 -2.666 -15.897 -3.547 1.00 0.00 H ATOM 312 HD1 TRP A 430 -3.536 -16.610 -5.893 1.00 0.00 H ATOM 313 HZ2 TRP A 430 -2.122 -17.177 -1.091 1.00 0.00 H ATOM 314 HH2 TRP A 430 -2.192 -19.403 -0.017 1.00 0.00 H ATOM 315 HZ3 TRP A 430 -2.955 -21.402 -1.269 1.00 0.00 H ATOM 316 HE3 TRP A 430 -3.683 -21.217 -3.642 1.00 0.00 H ATOM 317 H TRP A 430 -4.604 -20.658 -8.368 1.00 0.00 H ATOM 318 N VAL A 431 -1.009 -19.942 -5.711 1.00 15.75 N ATOM 319 CA VAL A 431 0.022 -20.457 -4.811 1.00 15.20 C ATOM 320 C VAL A 431 0.331 -19.350 -3.806 1.00 15.84 C ATOM 321 O VAL A 431 0.131 -18.166 -4.091 1.00 14.96 O ATOM 322 CB VAL A 431 1.336 -20.813 -5.543 1.00 15.67 C ATOM 323 CG1 VAL A 431 1.103 -21.938 -6.528 1.00 15.40 C ATOM 324 CG2 VAL A 431 1.888 -19.587 -6.240 1.00 16.39 C ATOM 325 HA VAL A 431 -0.352 -21.369 -4.347 1.00 0.00 H ATOM 326 HB VAL A 431 2.069 -21.153 -4.812 1.00 0.00 H ATOM 327 HG11 VAL A 431 0.744 -22.818 -5.994 1.00 0.00 H ATOM 328 HG12 VAL A 431 0.360 -21.628 -7.262 1.00 0.00 H ATOM 329 HG13 VAL A 431 2.039 -22.176 -7.034 1.00 0.00 H ATOM 330 HG21 VAL A 431 1.160 -19.224 -6.965 1.00 0.00 H ATOM 331 HG22 VAL A 431 2.087 -18.810 -5.502 1.00 0.00 H ATOM 332 HG23 VAL A 431 2.814 -19.848 -6.753 1.00 0.00 H ATOM 333 H VAL A 431 -0.972 -18.938 -5.980 1.00 0.00 H ATOM 334 N PRO A 432 0.825 -19.719 -2.616 1.00 14.45 N ATOM 335 CA PRO A 432 1.124 -18.669 -1.642 1.00 14.25 C ATOM 336 C PRO A 432 2.207 -17.698 -2.109 1.00 15.27 C ATOM 337 O PRO A 432 3.162 -18.077 -2.790 1.00 12.55 O ATOM 338 CB PRO A 432 1.487 -19.456 -0.365 1.00 14.76 C ATOM 339 CG PRO A 432 1.850 -20.827 -0.864 1.00 14.49 C ATOM 340 CD PRO A 432 0.926 -21.060 -2.016 1.00 12.80 C ATOM 341 HA PRO A 432 0.283 -17.996 -1.478 1.00 0.00 H ATOM 342 HD3 PRO A 432 1.347 -21.777 -2.721 1.00 0.00 H ATOM 343 HD2 PRO A 432 -0.047 -21.415 -1.676 1.00 0.00 H ATOM 344 HG3 PRO A 432 1.694 -21.575 -0.086 1.00 0.00 H ATOM 345 HG2 PRO A 432 2.889 -20.856 -1.191 1.00 0.00 H ATOM 346 HB2 PRO A 432 2.332 -18.995 0.146 1.00 0.00 H ATOM 347 HB3 PRO A 432 0.636 -19.505 0.314 1.00 0.00 H ATOM 348 N PHE A 433 2.019 -16.432 -1.758 1.00 15.41 N ATOM 349 CA PHE A 433 2.943 -15.373 -2.130 1.00 19.60 C ATOM 350 C PHE A 433 3.414 -14.646 -0.876 1.00 18.70 C ATOM 351 O PHE A 433 4.602 -14.555 -0.619 1.00 19.66 O ATOM 352 CB PHE A 433 2.246 -14.389 -3.077 1.00 21.18 C ATOM 353 CG PHE A 433 3.099 -13.224 -3.475 1.00 23.69 C ATOM 354 CD1 PHE A 433 4.093 -13.369 -4.435 1.00 26.45 C ATOM 355 CD2 PHE A 433 2.921 -11.981 -2.874 1.00 25.14 C ATOM 356 CE1 PHE A 433 4.902 -12.290 -4.795 1.00 27.12 C ATOM 357 CE2 PHE A 433 3.723 -10.896 -3.224 1.00 27.80 C ATOM 358 CZ PHE A 433 4.717 -11.052 -4.189 1.00 27.54 C ATOM 359 HA PHE A 433 3.805 -15.804 -2.639 1.00 0.00 H ATOM 360 HB2 PHE A 433 1.956 -14.927 -3.980 1.00 0.00 H ATOM 361 HB3 PHE A 433 1.354 -14.008 -2.581 1.00 0.00 H ATOM 362 HD2 PHE A 433 2.144 -11.855 -2.120 1.00 0.00 H ATOM 363 HE2 PHE A 433 3.573 -9.929 -2.745 1.00 0.00 H ATOM 364 HZ PHE A 433 5.347 -10.207 -4.467 1.00 0.00 H ATOM 365 HE1 PHE A 433 5.678 -12.418 -5.550 1.00 0.00 H ATOM 366 HD1 PHE A 433 4.243 -14.337 -4.913 1.00 0.00 H ATOM 367 H PHE A 433 1.179 -16.188 -1.196 1.00 0.00 H ATOM 368 N TYR A 434 2.469 -14.130 -0.099 1.00 17.43 N ATOM 369 CA TYR A 434 2.811 -13.424 1.132 1.00 17.84 C ATOM 370 C TYR A 434 3.135 -14.473 2.193 1.00 18.96 C ATOM 371 O TYR A 434 2.692 -15.612 2.093 1.00 15.85 O ATOM 372 CB TYR A 434 1.645 -12.546 1.615 1.00 17.25 C ATOM 373 CG TYR A 434 1.226 -11.459 0.653 1.00 18.08 C ATOM 374 CD1 TYR A 434 0.077 -11.599 -0.124 1.00 16.44 C ATOM 375 CD2 TYR A 434 1.980 -10.296 0.507 1.00 18.78 C ATOM 376 CE1 TYR A 434 -0.314 -10.617 -1.023 1.00 15.07 C ATOM 377 CE2 TYR A 434 1.594 -9.296 -0.401 1.00 17.30 C ATOM 378 CZ TYR A 434 0.442 -9.472 -1.163 1.00 14.93 C ATOM 379 OH TYR A 434 0.052 -8.528 -2.086 1.00 13.97 O ATOM 380 HA TYR A 434 3.663 -12.769 0.951 1.00 0.00 H ATOM 381 HB3 TYR A 434 1.942 -12.074 2.552 1.00 0.00 H ATOM 382 HB2 TYR A 434 0.785 -13.192 1.792 1.00 0.00 H ATOM 383 HD2 TYR A 434 2.881 -10.161 1.105 1.00 0.00 H ATOM 384 HE2 TYR A 434 2.191 -8.390 -0.508 1.00 0.00 H ATOM 385 HE1 TYR A 434 -1.218 -10.750 -1.618 1.00 0.00 H ATOM 386 HD1 TYR A 434 -0.528 -12.500 -0.023 1.00 0.00 H ATOM 387 HH TYR A 434 -0.104 -7.665 -1.627 1.00 0.00 H ATOM 388 H TYR A 434 1.470 -14.230 -0.371 1.00 0.00 H ATOM 389 N SER A 435 3.900 -14.084 3.209 1.00 19.10 N ATOM 390 CA SER A 435 4.282 -15.024 4.258 1.00 20.37 C ATOM 391 C SER A 435 3.132 -15.380 5.194 1.00 19.15 C ATOM 392 O SER A 435 3.271 -16.256 6.038 1.00 18.25 O ATOM 393 CB SER A 435 5.464 -14.466 5.070 1.00 20.53 C ATOM 394 OG SER A 435 5.078 -13.345 5.848 1.00 23.28 O ATOM 395 HA SER A 435 4.577 -15.945 3.755 1.00 0.00 H ATOM 396 HB2 SER A 435 6.255 -14.165 4.383 1.00 0.00 H ATOM 397 HB3 SER A 435 5.838 -15.246 5.733 1.00 0.00 H ATOM 398 HG SER A 435 4.742 -12.630 5.251 1.00 0.00 H ATOM 399 H SER A 435 4.230 -13.099 3.257 1.00 0.00 H ATOM 400 N THR A 436 1.998 -14.700 5.044 1.00 18.43 N ATOM 401 CA THR A 436 0.835 -14.971 5.884 1.00 18.20 C ATOM 402 C THR A 436 -0.138 -15.914 5.185 1.00 17.91 C ATOM 403 O THR A 436 -1.109 -16.363 5.777 1.00 17.58 O ATOM 404 CB THR A 436 0.077 -13.672 6.249 1.00 17.91 C ATOM 405 OG1 THR A 436 -0.308 -12.991 5.050 1.00 16.77 O ATOM 406 CG2 THR A 436 0.953 -12.756 7.092 1.00 18.70 C ATOM 407 HA THR A 436 1.213 -15.435 6.795 1.00 0.00 H ATOM 408 HB THR A 436 -0.809 -13.937 6.827 1.00 0.00 H ATOM 409 HG1 THR A 436 -0.897 -13.578 4.513 1.00 0.00 H ATOM 410 HG23 THR A 436 1.246 -13.275 8.005 1.00 0.00 H ATOM 411 HG21 THR A 436 1.843 -12.484 6.525 1.00 0.00 H ATOM 412 HG22 THR A 436 0.395 -11.855 7.348 1.00 0.00 H ATOM 413 H THR A 436 1.939 -13.961 4.314 1.00 0.00 H ATOM 414 N GLU A 437 0.133 -16.206 3.918 1.00 18.02 N ATOM 415 CA GLU A 437 -0.718 -17.092 3.134 1.00 17.62 C ATOM 416 C GLU A 437 -0.280 -18.552 3.215 1.00 17.56 C ATOM 417 O GLU A 437 0.901 -18.857 3.332 1.00 15.91 O ATOM 418 CB GLU A 437 -0.721 -16.655 1.666 1.00 15.29 C ATOM 419 CG GLU A 437 -1.307 -15.279 1.420 1.00 16.62 C ATOM 420 CD GLU A 437 -1.186 -14.855 -0.032 1.00 18.20 C ATOM 421 OE1 GLU A 437 -0.073 -14.961 -0.577 1.00 17.41 O ATOM 422 OE2 GLU A 437 -2.195 -14.413 -0.628 1.00 16.36 O ATOM 423 HA GLU A 437 -1.720 -17.019 3.558 1.00 0.00 H ATOM 424 HB2 GLU A 437 0.309 -16.656 1.308 1.00 0.00 H ATOM 425 HB3 GLU A 437 -1.303 -17.380 1.096 1.00 0.00 H ATOM 426 HG2 GLU A 437 -2.362 -15.292 1.695 1.00 0.00 H ATOM 427 HG3 GLU A 437 -0.779 -14.556 2.042 1.00 0.00 H ATOM 428 H GLU A 437 0.976 -15.791 3.473 1.00 0.00 H ATOM 429 N LEU A 438 -1.253 -19.451 3.151 1.00 19.28 N ATOM 430 CA LEU A 438 -0.974 -20.884 3.178 1.00 19.65 C ATOM 431 C LEU A 438 -1.782 -21.553 2.070 1.00 18.76 C ATOM 432 O LEU A 438 -1.229 -22.010 1.078 1.00 17.00 O ATOM 433 CB LEU A 438 -1.354 -21.490 4.533 1.00 21.73 C ATOM 434 CG LEU A 438 -1.070 -22.993 4.670 1.00 26.62 C ATOM 435 CD1 LEU A 438 0.423 -23.250 4.519 1.00 29.45 C ATOM 436 CD2 LEU A 438 -1.564 -23.491 6.020 1.00 25.95 C ATOM 437 HA LEU A 438 0.093 -21.046 3.024 1.00 0.00 H ATOM 438 HB2 LEU A 438 -0.793 -20.967 5.308 1.00 0.00 H ATOM 439 HB3 LEU A 438 -2.421 -21.331 4.688 1.00 0.00 H ATOM 440 HG LEU A 438 -1.599 -23.535 3.886 1.00 0.00 H ATOM 441 HD21 LEU A 438 -1.048 -22.953 6.815 1.00 0.00 H ATOM 442 HD22 LEU A 438 -2.637 -23.318 6.099 1.00 0.00 H ATOM 443 HD23 LEU A 438 -1.359 -24.558 6.110 1.00 0.00 H ATOM 444 HD11 LEU A 438 0.752 -22.908 3.538 1.00 0.00 H ATOM 445 HD12 LEU A 438 0.964 -22.708 5.294 1.00 0.00 H ATOM 446 HD13 LEU A 438 0.618 -24.318 4.617 1.00 0.00 H ATOM 447 H LEU A 438 -2.239 -19.127 3.080 1.00 0.00 H ATOM 448 N ASN A 439 -3.100 -21.582 2.249 1.00 16.52 N ATOM 449 CA ASN A 439 -3.995 -22.195 1.278 1.00 15.82 C ATOM 450 C ASN A 439 -5.024 -21.216 0.719 1.00 15.78 C ATOM 451 O ASN A 439 -5.834 -21.589 -0.114 1.00 13.93 O ATOM 452 CB ASN A 439 -4.705 -23.391 1.916 1.00 14.20 C ATOM 453 CG ASN A 439 -3.743 -24.512 2.272 1.00 14.98 C ATOM 454 OD1 ASN A 439 -3.117 -25.098 1.398 1.00 13.48 O ATOM 455 ND2 ASN A 439 -3.617 -24.806 3.563 1.00 11.41 N ATOM 456 HA ASN A 439 -3.383 -22.524 0.438 1.00 0.00 H ATOM 457 HB2 ASN A 439 -5.206 -23.057 2.825 1.00 0.00 H ATOM 458 HB3 ASN A 439 -5.446 -23.774 1.214 1.00 0.00 H ATOM 459 HD22 ASN A 439 -4.169 -24.282 4.272 1.00 0.00 H ATOM 460 HD21 ASN A 439 -2.967 -25.560 3.864 1.00 0.00 H ATOM 461 H ASN A 439 -3.503 -21.154 3.107 1.00 0.00 H ATOM 462 N LYS A 440 -4.979 -19.966 1.176 1.00 16.49 N ATOM 463 CA LYS A 440 -5.920 -18.940 0.705 1.00 18.71 C ATOM 464 C LYS A 440 -5.232 -17.620 0.362 1.00 18.55 C ATOM 465 O LYS A 440 -4.284 -17.213 1.022 1.00 19.33 O ATOM 466 CB LYS A 440 -6.986 -18.649 1.771 1.00 19.34 C ATOM 467 CG LYS A 440 -7.899 -19.815 2.123 1.00 21.59 C ATOM 468 CD LYS A 440 -9.007 -20.031 1.110 1.00 24.53 C ATOM 469 CE LYS A 440 -10.175 -20.813 1.747 1.00 25.33 C ATOM 470 NZ LYS A 440 -9.773 -22.134 2.320 1.00 24.26 N ATOM 471 HA LYS A 440 -6.373 -19.347 -0.199 1.00 0.00 H ATOM 472 HB2 LYS A 440 -6.474 -18.337 2.681 1.00 0.00 H ATOM 473 HB3 LYS A 440 -7.610 -17.832 1.408 1.00 0.00 H ATOM 474 HG2 LYS A 440 -7.298 -20.722 2.178 1.00 0.00 H ATOM 475 HG3 LYS A 440 -8.351 -19.621 3.096 1.00 0.00 H ATOM 476 HD2 LYS A 440 -9.370 -19.064 0.762 1.00 0.00 H ATOM 477 HD3 LYS A 440 -8.615 -20.596 0.264 1.00 0.00 H ATOM 478 HE2 LYS A 440 -10.932 -20.986 0.982 1.00 0.00 H ATOM 479 HE3 LYS A 440 -10.600 -20.206 2.546 1.00 0.00 H ATOM 480 HZ1 LYS A 440 -9.375 -22.730 1.567 1.00 0.00 H ATOM 481 HZ2 LYS A 440 -9.058 -21.986 3.061 1.00 0.00 H ATOM 482 HZ3 LYS A 440 -10.607 -22.601 2.729 1.00 0.00 H ATOM 483 H LYS A 440 -4.261 -19.710 1.883 1.00 0.00 H ATOM 484 N PRO A 441 -5.729 -16.925 -0.670 1.00 19.45 N ATOM 485 CA PRO A 441 -5.135 -15.646 -1.067 1.00 17.76 C ATOM 486 C PRO A 441 -5.458 -14.550 -0.059 1.00 18.15 C ATOM 487 O PRO A 441 -6.572 -14.494 0.465 1.00 18.00 O ATOM 488 CB PRO A 441 -5.761 -15.393 -2.430 1.00 16.58 C ATOM 489 CG PRO A 441 -7.130 -15.971 -2.275 1.00 18.88 C ATOM 490 CD PRO A 441 -6.874 -17.271 -1.533 1.00 18.06 C ATOM 491 HA PRO A 441 -4.046 -15.659 -1.106 1.00 0.00 H ATOM 492 HD3 PRO A 441 -7.740 -17.564 -0.940 1.00 0.00 H ATOM 493 HD2 PRO A 441 -6.619 -18.075 -2.223 1.00 0.00 H ATOM 494 HG3 PRO A 441 -7.588 -16.158 -3.246 1.00 0.00 H ATOM 495 HG2 PRO A 441 -7.771 -15.308 -1.694 1.00 0.00 H ATOM 496 HB2 PRO A 441 -5.807 -14.326 -2.650 1.00 0.00 H ATOM 497 HB3 PRO A 441 -5.206 -15.902 -3.218 1.00 0.00 H ATOM 498 N ALA A 442 -4.480 -13.691 0.226 1.00 15.22 N ATOM 499 CA ALA A 442 -4.696 -12.596 1.165 1.00 15.13 C ATOM 500 C ALA A 442 -5.594 -11.576 0.479 1.00 14.83 C ATOM 501 O ALA A 442 -5.429 -11.291 -0.702 1.00 16.05 O ATOM 502 CB ALA A 442 -3.363 -11.949 1.561 1.00 13.89 C ATOM 503 HA ALA A 442 -5.162 -12.968 2.077 1.00 0.00 H ATOM 504 HB1 ALA A 442 -2.724 -12.696 2.032 1.00 0.00 H ATOM 505 HB2 ALA A 442 -2.872 -11.558 0.670 1.00 0.00 H ATOM 506 HB3 ALA A 442 -3.550 -11.135 2.262 1.00 0.00 H ATOM 507 H ALA A 442 -3.551 -13.803 -0.227 1.00 0.00 H ATOM 508 N MET A 443 -6.538 -11.021 1.228 1.00 14.62 N ATOM 509 CA MET A 443 -7.463 -10.060 0.657 1.00 15.92 C ATOM 510 C MET A 443 -7.618 -8.804 1.498 1.00 15.08 C ATOM 511 O MET A 443 -7.331 -8.794 2.691 1.00 14.75 O ATOM 512 CB MET A 443 -8.838 -10.726 0.442 1.00 14.79 C ATOM 513 CG MET A 443 -8.797 -11.929 -0.515 1.00 14.78 C ATOM 514 SD MET A 443 -10.447 -12.503 -1.030 1.00 18.53 S ATOM 515 CE MET A 443 -10.784 -11.375 -2.399 1.00 13.95 C ATOM 516 HA MET A 443 -7.043 -9.744 -0.298 1.00 0.00 H ATOM 517 HB2 MET A 443 -9.211 -11.066 1.408 1.00 0.00 H ATOM 518 HB3 MET A 443 -9.521 -9.982 0.032 1.00 0.00 H ATOM 519 HG2 MET A 443 -8.286 -12.751 -0.014 1.00 0.00 H ATOM 520 HG3 MET A 443 -8.237 -11.643 -1.405 1.00 0.00 H ATOM 521 HE1 MET A 443 -10.772 -10.348 -2.033 1.00 0.00 H ATOM 522 HE2 MET A 443 -10.019 -11.498 -3.166 1.00 0.00 H ATOM 523 HE3 MET A 443 -11.763 -11.601 -2.821 1.00 0.00 H ATOM 524 H MET A 443 -6.616 -11.277 2.233 1.00 0.00 H ATOM 525 N ILE A 444 -8.078 -7.740 0.853 1.00 14.47 N ATOM 526 CA ILE A 444 -8.273 -6.477 1.535 1.00 13.66 C ATOM 527 C ILE A 444 -9.540 -5.819 1.008 1.00 14.77 C ATOM 528 O ILE A 444 -9.866 -5.914 -0.164 1.00 14.20 O ATOM 529 CB ILE A 444 -7.041 -5.555 1.363 1.00 11.27 C ATOM 530 CG1 ILE A 444 -7.251 -4.245 2.144 1.00 13.41 C ATOM 531 CG2 ILE A 444 -6.772 -5.306 -0.109 1.00 10.00 C ATOM 532 CD1 ILE A 444 -5.989 -3.402 2.296 1.00 11.94 C ATOM 533 HA ILE A 444 -8.386 -6.657 2.604 1.00 0.00 H ATOM 534 HB ILE A 444 -6.159 -6.045 1.774 1.00 0.00 H ATOM 535 HG12 ILE A 444 -7.999 -3.650 1.621 1.00 0.00 H ATOM 536 HG13 ILE A 444 -7.618 -4.495 3.139 1.00 0.00 H ATOM 537 HD11 ILE A 444 -5.232 -3.977 2.829 1.00 0.00 H ATOM 538 HD12 ILE A 444 -5.613 -3.131 1.309 1.00 0.00 H ATOM 539 HD13 ILE A 444 -6.223 -2.498 2.858 1.00 0.00 H ATOM 540 HG21 ILE A 444 -6.579 -6.256 -0.608 1.00 0.00 H ATOM 541 HG22 ILE A 444 -7.641 -4.828 -0.560 1.00 0.00 H ATOM 542 HG23 ILE A 444 -5.903 -4.656 -0.213 1.00 0.00 H ATOM 543 H ILE A 444 -8.303 -7.814 -0.160 1.00 0.00 H ATOM 544 N TYR A 445 -10.248 -5.154 1.906 1.00 15.01 N ATOM 545 CA TYR A 445 -11.510 -4.516 1.577 1.00 16.28 C ATOM 546 C TYR A 445 -11.357 -3.097 1.031 1.00 15.55 C ATOM 547 O TYR A 445 -10.735 -2.253 1.663 1.00 17.10 O ATOM 548 CB TYR A 445 -12.380 -4.499 2.841 1.00 16.87 C ATOM 549 CG TYR A 445 -13.810 -4.079 2.633 1.00 18.93 C ATOM 550 CD1 TYR A 445 -14.730 -4.939 2.029 1.00 20.96 C ATOM 551 CD2 TYR A 445 -14.254 -2.832 3.062 1.00 21.63 C ATOM 552 CE1 TYR A 445 -16.061 -4.565 1.862 1.00 23.37 C ATOM 553 CE2 TYR A 445 -15.581 -2.449 2.902 1.00 23.73 C ATOM 554 CZ TYR A 445 -16.478 -3.320 2.303 1.00 23.70 C ATOM 555 OH TYR A 445 -17.795 -2.949 2.159 1.00 26.80 O ATOM 556 HA TYR A 445 -11.974 -5.093 0.777 1.00 0.00 H ATOM 557 HB3 TYR A 445 -11.926 -3.809 3.553 1.00 0.00 H ATOM 558 HB2 TYR A 445 -12.382 -5.504 3.262 1.00 0.00 H ATOM 559 HD2 TYR A 445 -13.550 -2.144 3.531 1.00 0.00 H ATOM 560 HE2 TYR A 445 -15.914 -1.470 3.246 1.00 0.00 H ATOM 561 HE1 TYR A 445 -16.768 -5.246 1.388 1.00 0.00 H ATOM 562 HD1 TYR A 445 -14.401 -5.919 1.683 1.00 0.00 H ATOM 563 HH TYR A 445 -18.296 -3.679 1.716 1.00 0.00 H ATOM 564 H TYR A 445 -9.889 -5.086 2.880 1.00 0.00 H ATOM 565 N CYS A 446 -11.920 -2.851 -0.150 1.00 13.72 N ATOM 566 CA CYS A 446 -11.892 -1.521 -0.759 1.00 15.76 C ATOM 567 C CYS A 446 -13.172 -0.827 -0.301 1.00 18.34 C ATOM 568 O CYS A 446 -14.271 -1.359 -0.487 1.00 17.41 O ATOM 569 CB CYS A 446 -11.890 -1.614 -2.287 1.00 12.91 C ATOM 570 SG CYS A 446 -12.263 -0.042 -3.109 1.00 14.96 S ATOM 571 HA CYS A 446 -10.993 -0.980 -0.463 1.00 0.00 H ATOM 572 HB2 CYS A 446 -12.638 -2.347 -2.589 1.00 0.00 H ATOM 573 HB3 CYS A 446 -10.904 -1.948 -2.611 1.00 0.00 H ATOM 574 HG CYS A 446 -12.239 -0.223 -4.477 1.00 0.00 H ATOM 575 H CYS A 446 -12.394 -3.627 -0.655 1.00 0.00 H ATOM 576 N SER A 447 -13.030 0.359 0.285 1.00 17.04 N ATOM 577 CA SER A 447 -14.176 1.094 0.801 1.00 18.68 C ATOM 578 C SER A 447 -14.975 1.924 -0.201 1.00 18.74 C ATOM 579 O SER A 447 -15.895 2.633 0.188 1.00 20.40 O ATOM 580 CB SER A 447 -13.730 1.984 1.969 1.00 19.47 C ATOM 581 OG SER A 447 -13.281 1.194 3.059 1.00 19.03 O ATOM 582 HA SER A 447 -14.873 0.317 1.115 1.00 0.00 H ATOM 583 HB2 SER A 447 -14.571 2.597 2.293 1.00 0.00 H ATOM 584 HB3 SER A 447 -12.918 2.630 1.637 1.00 0.00 H ATOM 585 HG SER A 447 -12.515 0.638 2.769 1.00 0.00 H ATOM 586 H SER A 447 -12.079 0.770 0.377 1.00 0.00 H ATOM 587 N HIS A 448 -14.643 1.833 -1.484 1.00 19.88 N ATOM 588 CA HIS A 448 -15.372 2.600 -2.491 1.00 20.86 C ATOM 589 C HIS A 448 -16.815 2.124 -2.664 1.00 20.01 C ATOM 590 O HIS A 448 -17.081 0.930 -2.663 1.00 19.57 O ATOM 591 CB HIS A 448 -14.673 2.519 -3.840 1.00 20.38 C ATOM 592 CG HIS A 448 -15.420 3.210 -4.937 1.00 25.49 C ATOM 593 ND1 HIS A 448 -15.538 4.582 -5.006 1.00 24.54 N ATOM 594 CD2 HIS A 448 -16.125 2.718 -5.984 1.00 26.13 C ATOM 595 CE1 HIS A 448 -16.283 4.905 -6.047 1.00 27.33 C ATOM 596 NE2 HIS A 448 -16.652 3.793 -6.657 1.00 28.45 N ATOM 597 HA HIS A 448 -15.389 3.629 -2.132 1.00 0.00 H ATOM 598 HB2 HIS A 448 -13.689 2.979 -3.748 1.00 0.00 H ATOM 599 HB3 HIS A 448 -14.558 1.469 -4.108 1.00 0.00 H ATOM 600 HD2 HIS A 448 -16.250 1.667 -6.243 1.00 0.00 H ATOM 601 HE1 HIS A 448 -16.549 5.917 -6.351 1.00 0.00 H ATOM 602 H HIS A 448 -13.860 1.212 -1.773 1.00 0.00 H ATOM 603 N GLY A 449 -17.735 3.075 -2.825 1.00 22.67 N ATOM 604 CA GLY A 449 -19.141 2.746 -3.011 1.00 22.41 C ATOM 605 C GLY A 449 -19.704 1.868 -1.913 1.00 22.74 C ATOM 606 O GLY A 449 -19.606 2.203 -0.738 1.00 22.86 O ATOM 607 HA3 GLY A 449 -19.251 2.224 -3.962 1.00 0.00 H ATOM 608 HA2 GLY A 449 -19.712 3.674 -3.039 1.00 0.00 H ATOM 609 H GLY A 449 -17.442 4.073 -2.818 1.00 0.00 H ATOM 610 N ASP A 450 -20.308 0.745 -2.295 1.00 24.00 N ATOM 611 CA ASP A 450 -20.866 -0.179 -1.312 1.00 23.16 C ATOM 612 C ASP A 450 -19.759 -1.086 -0.788 1.00 21.72 C ATOM 613 O ASP A 450 -19.993 -1.945 0.053 1.00 18.90 O ATOM 614 CB ASP A 450 -21.990 -1.034 -1.924 1.00 26.49 C ATOM 615 CG ASP A 450 -23.228 -0.220 -2.276 1.00 28.54 C ATOM 616 OD1 ASP A 450 -23.663 0.609 -1.449 1.00 28.95 O ATOM 617 OD2 ASP A 450 -23.775 -0.418 -3.380 1.00 31.84 O ATOM 618 HA ASP A 450 -21.291 0.403 -0.494 1.00 0.00 H ATOM 619 HB2 ASP A 450 -21.614 -1.506 -2.832 1.00 0.00 H ATOM 620 HB3 ASP A 450 -22.272 -1.804 -1.206 1.00 0.00 H ATOM 621 H ASP A 450 -20.383 0.523 -3.308 1.00 0.00 H ATOM 622 N GLY A 451 -18.548 -0.872 -1.296 1.00 21.97 N ATOM 623 CA GLY A 451 -17.406 -1.662 -0.873 1.00 20.14 C ATOM 624 C GLY A 451 -17.320 -3.023 -1.535 1.00 21.48 C ATOM 625 O GLY A 451 -18.321 -3.582 -1.951 1.00 21.38 O ATOM 626 HA3 GLY A 451 -17.470 -1.808 0.205 1.00 0.00 H ATOM 627 HA2 GLY A 451 -16.498 -1.107 -1.110 1.00 0.00 H ATOM 628 H GLY A 451 -18.417 -0.126 -2.009 1.00 0.00 H ATOM 629 N HIS A 452 -16.102 -3.546 -1.644 1.00 18.77 N ATOM 630 CA HIS A 452 -15.873 -4.857 -2.234 1.00 17.15 C ATOM 631 C HIS A 452 -14.500 -5.373 -1.830 1.00 16.28 C ATOM 632 O HIS A 452 -13.661 -4.620 -1.363 1.00 17.50 O ATOM 633 CB HIS A 452 -15.975 -4.810 -3.767 1.00 16.93 C ATOM 634 CG HIS A 452 -14.931 -3.965 -4.427 1.00 17.58 C ATOM 635 ND1 HIS A 452 -14.102 -4.448 -5.416 1.00 17.68 N ATOM 636 CD2 HIS A 452 -14.608 -2.659 -4.272 1.00 17.72 C ATOM 637 CE1 HIS A 452 -13.316 -3.477 -5.845 1.00 16.44 C ATOM 638 NE2 HIS A 452 -13.604 -2.381 -5.167 1.00 17.26 N ATOM 639 HA HIS A 452 -16.645 -5.531 -1.863 1.00 0.00 H ATOM 640 HB2 HIS A 452 -15.882 -5.827 -4.147 1.00 0.00 H ATOM 641 HB3 HIS A 452 -16.955 -4.412 -4.032 1.00 0.00 H ATOM 642 HD2 HIS A 452 -15.060 -1.960 -3.569 1.00 0.00 H ATOM 643 HE1 HIS A 452 -12.560 -3.565 -6.625 1.00 0.00 H ATOM 644 H HIS A 452 -15.287 -3.001 -1.297 1.00 0.00 H ATOM 645 N TRP A 453 -14.286 -6.669 -2.006 1.00 16.90 N ATOM 646 CA TRP A 453 -13.015 -7.280 -1.654 1.00 14.88 C ATOM 647 C TRP A 453 -12.141 -7.541 -2.875 1.00 15.31 C ATOM 648 O TRP A 453 -12.634 -7.906 -3.930 1.00 18.00 O ATOM 649 CB TRP A 453 -13.256 -8.603 -0.928 1.00 15.50 C ATOM 650 CG TRP A 453 -13.825 -8.469 0.450 1.00 15.76 C ATOM 651 CD1 TRP A 453 -15.146 -8.435 0.803 1.00 15.02 C ATOM 652 CD2 TRP A 453 -13.081 -8.389 1.669 1.00 15.40 C ATOM 653 NE1 TRP A 453 -15.267 -8.345 2.172 1.00 16.71 N ATOM 654 CE2 TRP A 453 -14.013 -8.313 2.726 1.00 16.87 C ATOM 655 CE3 TRP A 453 -11.713 -8.372 1.970 1.00 14.24 C ATOM 656 CZ2 TRP A 453 -13.619 -8.223 4.063 1.00 16.61 C ATOM 657 CZ3 TRP A 453 -11.324 -8.283 3.295 1.00 13.16 C ATOM 658 CH2 TRP A 453 -12.273 -8.208 4.327 1.00 13.66 C ATOM 659 HA TRP A 453 -12.492 -6.577 -1.006 1.00 0.00 H ATOM 660 HB2 TRP A 453 -13.949 -9.196 -1.525 1.00 0.00 H ATOM 661 HB3 TRP A 453 -12.303 -9.127 -0.852 1.00 0.00 H ATOM 662 HE1 TRP A 453 -16.163 -8.307 2.699 1.00 0.00 H ATOM 663 HD1 TRP A 453 -15.981 -8.474 0.103 1.00 0.00 H ATOM 664 HZ2 TRP A 453 -14.353 -8.167 4.866 1.00 0.00 H ATOM 665 HH2 TRP A 453 -11.933 -8.136 5.360 1.00 0.00 H ATOM 666 HZ3 TRP A 453 -10.262 -8.271 3.542 1.00 0.00 H ATOM 667 HE3 TRP A 453 -10.969 -8.428 1.175 1.00 0.00 H ATOM 668 H TRP A 453 -15.043 -7.261 -2.404 1.00 0.00 H ATOM 669 N VAL A 454 -10.836 -7.344 -2.719 1.00 15.48 N ATOM 670 CA VAL A 454 -9.893 -7.596 -3.800 1.00 13.98 C ATOM 671 C VAL A 454 -8.701 -8.356 -3.238 1.00 14.91 C ATOM 672 O VAL A 454 -8.452 -8.334 -2.036 1.00 12.13 O ATOM 673 CB VAL A 454 -9.379 -6.287 -4.465 1.00 15.93 C ATOM 674 CG1 VAL A 454 -10.529 -5.560 -5.144 1.00 15.75 C ATOM 675 CG2 VAL A 454 -8.695 -5.391 -3.427 1.00 15.89 C ATOM 676 HA VAL A 454 -10.414 -8.172 -4.565 1.00 0.00 H ATOM 677 HB VAL A 454 -8.640 -6.542 -5.225 1.00 0.00 H ATOM 678 HG11 VAL A 454 -10.963 -6.204 -5.909 1.00 0.00 H ATOM 679 HG12 VAL A 454 -11.288 -5.311 -4.403 1.00 0.00 H ATOM 680 HG13 VAL A 454 -10.157 -4.645 -5.606 1.00 0.00 H ATOM 681 HG21 VAL A 454 -9.408 -5.135 -2.644 1.00 0.00 H ATOM 682 HG22 VAL A 454 -7.850 -5.923 -2.990 1.00 0.00 H ATOM 683 HG23 VAL A 454 -8.342 -4.480 -3.911 1.00 0.00 H ATOM 684 H VAL A 454 -10.480 -7.002 -1.804 1.00 0.00 H ATOM 685 N HIS A 455 -7.978 -9.044 -4.115 1.00 15.15 N ATOM 686 CA HIS A 455 -6.811 -9.797 -3.688 1.00 15.86 C ATOM 687 C HIS A 455 -5.670 -8.808 -3.524 1.00 15.43 C ATOM 688 O HIS A 455 -5.411 -8.009 -4.408 1.00 16.11 O ATOM 689 CB HIS A 455 -6.444 -10.855 -4.733 1.00 12.74 C ATOM 690 CG HIS A 455 -7.532 -11.845 -4.989 1.00 12.23 C ATOM 691 ND1 HIS A 455 -8.178 -11.939 -6.201 1.00 12.96 N ATOM 692 CD2 HIS A 455 -8.097 -12.777 -4.186 1.00 14.00 C ATOM 693 CE1 HIS A 455 -9.094 -12.890 -6.135 1.00 16.50 C ATOM 694 NE2 HIS A 455 -9.065 -13.414 -4.923 1.00 16.21 N ATOM 695 HA HIS A 455 -7.014 -10.314 -2.750 1.00 0.00 H ATOM 696 HB2 HIS A 455 -6.211 -10.348 -5.670 1.00 0.00 H ATOM 697 HB3 HIS A 455 -5.563 -11.393 -4.384 1.00 0.00 H ATOM 698 HD2 HIS A 455 -7.833 -12.983 -3.149 1.00 0.00 H ATOM 699 HE1 HIS A 455 -9.760 -13.191 -6.944 1.00 0.00 H ATOM 700 H HIS A 455 -8.250 -9.044 -5.119 1.00 0.00 H ATOM 701 N ALA A 456 -5.004 -8.851 -2.381 1.00 15.87 N ATOM 702 CA ALA A 456 -3.898 -7.936 -2.139 1.00 16.46 C ATOM 703 C ALA A 456 -2.826 -8.048 -3.218 1.00 15.25 C ATOM 704 O ALA A 456 -2.271 -7.043 -3.637 1.00 16.34 O ATOM 705 CB ALA A 456 -3.286 -8.195 -0.771 1.00 15.31 C ATOM 706 HA ALA A 456 -4.299 -6.923 -2.169 1.00 0.00 H ATOM 707 HB1 ALA A 456 -4.044 -8.048 -0.002 1.00 0.00 H ATOM 708 HB2 ALA A 456 -2.916 -9.219 -0.728 1.00 0.00 H ATOM 709 HB3 ALA A 456 -2.461 -7.502 -0.607 1.00 0.00 H ATOM 710 H ALA A 456 -5.272 -9.542 -1.652 1.00 0.00 H ATOM 711 N GLN A 457 -2.544 -9.268 -3.673 1.00 16.16 N ATOM 712 CA GLN A 457 -1.519 -9.467 -4.696 1.00 15.19 C ATOM 713 C GLN A 457 -1.877 -8.779 -6.007 1.00 14.37 C ATOM 714 O GLN A 457 -1.015 -8.248 -6.688 1.00 12.71 O ATOM 715 CB GLN A 457 -1.284 -10.965 -4.963 1.00 15.75 C ATOM 716 CG GLN A 457 -0.072 -11.220 -5.854 1.00 16.50 C ATOM 717 CD GLN A 457 0.247 -12.697 -6.059 1.00 18.27 C ATOM 718 OE1 GLN A 457 -0.250 -13.564 -5.349 1.00 18.84 O ATOM 719 NE2 GLN A 457 1.104 -12.978 -7.034 1.00 21.61 N ATOM 720 HA GLN A 457 -0.605 -9.018 -4.306 1.00 0.00 H ATOM 721 HB2 GLN A 457 -1.129 -11.470 -4.009 1.00 0.00 H ATOM 722 HB3 GLN A 457 -2.168 -11.376 -5.450 1.00 0.00 H ATOM 723 HG2 GLN A 457 -0.263 -10.772 -6.829 1.00 0.00 H ATOM 724 HG3 GLN A 457 0.795 -10.742 -5.399 1.00 0.00 H ATOM 725 HE22 GLN A 457 1.502 -12.211 -7.613 1.00 0.00 H ATOM 726 HE21 GLN A 457 1.377 -13.965 -7.218 1.00 0.00 H ATOM 727 H GLN A 457 -3.059 -10.089 -3.296 1.00 0.00 H ATOM 728 N CYS A 458 -3.159 -8.792 -6.347 1.00 13.42 N ATOM 729 CA CYS A 458 -3.630 -8.179 -7.579 1.00 14.45 C ATOM 730 C CYS A 458 -3.522 -6.659 -7.537 1.00 15.02 C ATOM 731 O CYS A 458 -3.623 -5.991 -8.559 1.00 13.58 O ATOM 732 CB CYS A 458 -5.085 -8.597 -7.836 1.00 15.97 C ATOM 733 SG CYS A 458 -5.304 -10.385 -7.998 1.00 14.83 S ATOM 734 HA CYS A 458 -2.994 -8.528 -8.393 1.00 0.00 H ATOM 735 HB2 CYS A 458 -5.423 -8.123 -8.757 1.00 0.00 H ATOM 736 HB3 CYS A 458 -5.697 -8.248 -7.004 1.00 0.00 H ATOM 737 HG CYS A 458 -6.636 -10.665 -8.226 1.00 0.00 H ATOM 738 H CYS A 458 -3.845 -9.253 -5.716 1.00 0.00 H ATOM 739 N MET A 459 -3.312 -6.118 -6.345 1.00 16.52 N ATOM 740 CA MET A 459 -3.189 -4.673 -6.181 1.00 17.28 C ATOM 741 C MET A 459 -1.712 -4.297 -6.138 1.00 18.02 C ATOM 742 O MET A 459 -1.361 -3.132 -5.994 1.00 18.87 O ATOM 743 CB MET A 459 -3.874 -4.232 -4.886 1.00 16.28 C ATOM 744 CG MET A 459 -5.367 -4.537 -4.830 1.00 17.64 C ATOM 745 SD MET A 459 -6.313 -3.650 -6.095 1.00 17.89 S ATOM 746 CE MET A 459 -6.676 -4.956 -7.247 1.00 17.16 C ATOM 747 HA MET A 459 -3.670 -4.171 -7.021 1.00 0.00 H ATOM 748 HB2 MET A 459 -3.390 -4.741 -4.053 1.00 0.00 H ATOM 749 HB3 MET A 459 -3.741 -3.155 -4.779 1.00 0.00 H ATOM 750 HG2 MET A 459 -5.745 -4.251 -3.848 1.00 0.00 H ATOM 751 HG3 MET A 459 -5.510 -5.608 -4.975 1.00 0.00 H ATOM 752 HE1 MET A 459 -5.743 -5.378 -7.622 1.00 0.00 H ATOM 753 HE2 MET A 459 -7.251 -5.733 -6.744 1.00 0.00 H ATOM 754 HE3 MET A 459 -7.255 -4.555 -8.079 1.00 0.00 H ATOM 755 H MET A 459 -3.233 -6.735 -5.511 1.00 0.00 H ATOM 756 N ASP A 460 -0.853 -5.305 -6.264 1.00 19.06 N ATOM 757 CA ASP A 460 0.591 -5.099 -6.238 1.00 19.40 C ATOM 758 C ASP A 460 1.048 -4.492 -4.916 1.00 18.31 C ATOM 759 O ASP A 460 1.969 -3.689 -4.877 1.00 18.99 O ATOM 760 CB ASP A 460 1.025 -4.206 -7.411 1.00 23.64 C ATOM 761 CG ASP A 460 0.791 -4.864 -8.764 1.00 29.46 C ATOM 762 OD1 ASP A 460 1.446 -5.890 -9.056 1.00 31.35 O ATOM 763 OD2 ASP A 460 -0.053 -4.357 -9.537 1.00 33.99 O ATOM 764 HA ASP A 460 1.066 -6.075 -6.338 1.00 0.00 H ATOM 765 HB2 ASP A 460 0.457 -3.276 -7.371 1.00 0.00 H ATOM 766 HB3 ASP A 460 2.088 -3.986 -7.308 1.00 0.00 H ATOM 767 H ASP A 460 -1.222 -6.270 -6.385 1.00 0.00 H ATOM 768 N LEU A 461 0.386 -4.897 -3.836 1.00 15.90 N ATOM 769 CA LEU A 461 0.703 -4.433 -2.495 1.00 14.12 C ATOM 770 C LEU A 461 1.880 -5.198 -1.909 1.00 14.39 C ATOM 771 O LEU A 461 1.870 -6.426 -1.872 1.00 13.51 O ATOM 772 CB LEU A 461 -0.504 -4.620 -1.571 1.00 13.63 C ATOM 773 CG LEU A 461 -1.647 -3.604 -1.664 1.00 14.36 C ATOM 774 CD1 LEU A 461 -2.855 -4.119 -0.884 1.00 11.65 C ATOM 775 CD2 LEU A 461 -1.175 -2.262 -1.105 1.00 12.11 C ATOM 776 HA LEU A 461 0.963 -3.377 -2.569 1.00 0.00 H ATOM 777 HB2 LEU A 461 -0.926 -5.602 -1.783 1.00 0.00 H ATOM 778 HB3 LEU A 461 -0.134 -4.599 -0.546 1.00 0.00 H ATOM 779 HG LEU A 461 -1.940 -3.468 -2.705 1.00 0.00 H ATOM 780 HD21 LEU A 461 -0.881 -2.387 -0.063 1.00 0.00 H ATOM 781 HD22 LEU A 461 -0.323 -1.908 -1.685 1.00 0.00 H ATOM 782 HD23 LEU A 461 -1.986 -1.537 -1.170 1.00 0.00 H ATOM 783 HD11 LEU A 461 -3.180 -5.070 -1.306 1.00 0.00 H ATOM 784 HD12 LEU A 461 -2.578 -4.259 0.161 1.00 0.00 H ATOM 785 HD13 LEU A 461 -3.666 -3.394 -0.952 1.00 0.00 H ATOM 786 H LEU A 461 -0.393 -5.576 -3.956 1.00 0.00 H ATOM 787 N GLU A 462 2.899 -4.474 -1.461 1.00 14.03 N ATOM 788 CA GLU A 462 4.048 -5.127 -0.846 1.00 15.30 C ATOM 789 C GLU A 462 3.552 -5.689 0.486 1.00 14.25 C ATOM 790 O GLU A 462 2.608 -5.154 1.066 1.00 14.21 O ATOM 791 CB GLU A 462 5.187 -4.122 -0.648 1.00 14.92 C ATOM 792 CG GLU A 462 6.069 -3.968 -1.892 1.00 18.16 C ATOM 793 CD GLU A 462 7.050 -2.800 -1.811 1.00 20.86 C ATOM 794 OE1 GLU A 462 7.433 -2.401 -0.695 1.00 20.80 O ATOM 795 OE2 GLU A 462 7.450 -2.290 -2.878 1.00 21.89 O ATOM 796 HA GLU A 462 4.448 -5.924 -1.473 1.00 0.00 H ATOM 797 HB2 GLU A 462 4.756 -3.151 -0.404 1.00 0.00 H ATOM 798 HB3 GLU A 462 5.809 -4.460 0.180 1.00 0.00 H ATOM 799 HG2 GLU A 462 6.639 -4.887 -2.026 1.00 0.00 H ATOM 800 HG3 GLU A 462 5.422 -3.815 -2.756 1.00 0.00 H ATOM 801 H GLU A 462 2.877 -3.438 -1.549 1.00 0.00 H ATOM 802 N GLU A 463 4.165 -6.773 0.963 1.00 11.97 N ATOM 803 CA GLU A 463 3.713 -7.402 2.212 1.00 14.12 C ATOM 804 C GLU A 463 3.586 -6.432 3.389 1.00 16.70 C ATOM 805 O GLU A 463 2.600 -6.438 4.095 1.00 15.56 O ATOM 806 CB GLU A 463 4.618 -8.572 2.565 1.00 12.66 C ATOM 807 CG GLU A 463 4.262 -9.194 3.891 1.00 13.04 C ATOM 808 CD GLU A 463 4.692 -10.639 4.015 1.00 16.26 C ATOM 809 OE1 GLU A 463 4.803 -11.117 5.162 1.00 21.08 O ATOM 810 OE2 GLU A 463 4.900 -11.300 2.980 1.00 16.52 O ATOM 811 HA GLU A 463 2.702 -7.763 2.025 1.00 0.00 H ATOM 812 HB2 GLU A 463 4.530 -9.330 1.787 1.00 0.00 H ATOM 813 HB3 GLU A 463 5.648 -8.217 2.610 1.00 0.00 H ATOM 814 HG2 GLU A 463 4.745 -8.621 4.682 1.00 0.00 H ATOM 815 HG3 GLU A 463 3.180 -9.144 4.017 1.00 0.00 H ATOM 816 H GLU A 463 4.971 -7.178 0.446 1.00 0.00 H ATOM 817 N ARG A 464 4.597 -5.607 3.625 1.00 16.79 N ATOM 818 CA ARG A 464 4.534 -4.674 4.752 1.00 18.91 C ATOM 819 C ARG A 464 3.385 -3.663 4.563 1.00 17.41 C ATOM 820 O ARG A 464 2.762 -3.330 5.612 1.00 18.15 O ATOM 821 CB ARG A 464 5.860 -3.928 4.977 1.00 21.89 C ATOM 822 CG ARG A 464 6.239 -2.965 3.879 1.00 25.62 C ATOM 823 CD ARG A 464 7.649 -2.453 4.113 1.00 26.68 C ATOM 824 NE ARG A 464 8.112 -1.597 3.029 1.00 27.57 N ATOM 825 CZ ARG A 464 9.392 -1.321 2.801 1.00 30.07 C ATOM 826 NH1 ARG A 464 9.735 -0.529 1.793 1.00 27.52 N ATOM 827 NH2 ARG A 464 10.330 -1.849 3.576 1.00 31.51 N ATOM 828 HA ARG A 464 4.343 -5.274 5.641 1.00 0.00 H ATOM 829 HB2 ARG A 464 5.780 -3.367 5.908 1.00 0.00 H ATOM 830 HB3 ARG A 464 6.655 -4.668 5.068 1.00 0.00 H ATOM 831 HG2 ARG A 464 6.193 -3.475 2.917 1.00 0.00 H ATOM 832 HG3 ARG A 464 5.544 -2.125 3.877 1.00 0.00 H ATOM 833 HD2 ARG A 464 8.322 -3.306 4.199 1.00 0.00 H ATOM 834 HD3 ARG A 464 7.666 -1.883 5.042 1.00 0.00 H ATOM 835 HE ARG A 464 7.400 -1.178 2.397 1.00 0.00 H ATOM 836 HH12 ARG A 464 10.738 -0.315 1.618 1.00 0.00 H ATOM 837 HH11 ARG A 464 9.001 -0.122 1.178 1.00 0.00 H ATOM 838 HH22 ARG A 464 11.332 -1.634 3.399 1.00 0.00 H ATOM 839 HH21 ARG A 464 10.063 -2.478 4.360 1.00 0.00 H ATOM 840 H ARG A 464 5.435 -5.623 3.009 1.00 0.00 H ATOM 841 N THR A 465 3.095 -3.203 3.327 1.00 15.54 N ATOM 842 CA THR A 465 2.008 -2.265 3.197 1.00 15.04 C ATOM 843 C THR A 465 0.708 -2.975 3.626 1.00 14.30 C ATOM 844 O THR A 465 -0.134 -2.404 4.318 1.00 15.10 O ATOM 845 CB THR A 465 1.909 -1.795 1.755 1.00 15.19 C ATOM 846 OG1 THR A 465 3.193 -1.324 1.315 1.00 12.85 O ATOM 847 CG2 THR A 465 0.892 -0.675 1.628 1.00 10.80 C ATOM 848 HA THR A 465 2.176 -1.393 3.829 1.00 0.00 H ATOM 849 HB THR A 465 1.589 -2.633 1.136 1.00 0.00 H ATOM 850 HG1 THR A 465 3.127 -1.018 0.376 1.00 0.00 H ATOM 851 HG23 THR A 465 -0.083 -1.031 1.962 1.00 0.00 H ATOM 852 HG21 THR A 465 1.203 0.168 2.245 1.00 0.00 H ATOM 853 HG22 THR A 465 0.828 -0.360 0.586 1.00 0.00 H ATOM 854 H THR A 465 3.638 -3.515 2.497 1.00 0.00 H ATOM 855 N LEU A 466 0.559 -4.222 3.193 1.00 14.92 N ATOM 856 CA LEU A 466 -0.631 -5.018 3.484 1.00 14.09 C ATOM 857 C LEU A 466 -0.813 -5.260 4.978 1.00 15.12 C ATOM 858 O LEU A 466 -1.921 -5.169 5.494 1.00 15.06 O ATOM 859 CB LEU A 466 -0.553 -6.371 2.754 1.00 12.25 C ATOM 860 CG LEU A 466 -1.682 -7.374 3.031 1.00 13.40 C ATOM 861 CD1 LEU A 466 -3.027 -6.737 2.693 1.00 13.03 C ATOM 862 CD2 LEU A 466 -1.466 -8.648 2.221 1.00 10.52 C ATOM 863 HA LEU A 466 -1.491 -4.450 3.130 1.00 0.00 H ATOM 864 HB2 LEU A 466 -0.547 -6.168 1.683 1.00 0.00 H ATOM 865 HB3 LEU A 466 0.387 -6.845 3.038 1.00 0.00 H ATOM 866 HG LEU A 466 -1.677 -7.641 4.088 1.00 0.00 H ATOM 867 HD21 LEU A 466 -1.457 -8.404 1.159 1.00 0.00 H ATOM 868 HD22 LEU A 466 -0.513 -9.097 2.500 1.00 0.00 H ATOM 869 HD23 LEU A 466 -2.274 -9.350 2.428 1.00 0.00 H ATOM 870 HD11 LEU A 466 -3.172 -5.849 3.308 1.00 0.00 H ATOM 871 HD12 LEU A 466 -3.041 -6.457 1.640 1.00 0.00 H ATOM 872 HD13 LEU A 466 -3.826 -7.452 2.891 1.00 0.00 H ATOM 873 H LEU A 466 1.319 -4.648 2.625 1.00 0.00 H ATOM 874 N ILE A 467 0.285 -5.577 5.661 1.00 14.16 N ATOM 875 CA ILE A 467 0.259 -5.853 7.094 1.00 16.31 C ATOM 876 C ILE A 467 -0.034 -4.589 7.904 1.00 16.32 C ATOM 877 O ILE A 467 -0.764 -4.630 8.886 1.00 17.49 O ATOM 878 CB ILE A 467 1.603 -6.454 7.569 1.00 14.63 C ATOM 879 CG1 ILE A 467 1.883 -7.765 6.830 1.00 19.06 C ATOM 880 CG2 ILE A 467 1.570 -6.697 9.073 1.00 18.43 C ATOM 881 CD1 ILE A 467 0.761 -8.790 6.913 1.00 18.84 C ATOM 882 HA ILE A 467 -0.541 -6.574 7.261 1.00 0.00 H ATOM 883 HB ILE A 467 2.401 -5.746 7.347 1.00 0.00 H ATOM 884 HG12 ILE A 467 2.055 -7.533 5.779 1.00 0.00 H ATOM 885 HG13 ILE A 467 2.783 -8.210 7.255 1.00 0.00 H ATOM 886 HD11 ILE A 467 0.582 -9.047 7.957 1.00 0.00 H ATOM 887 HD12 ILE A 467 -0.146 -8.369 6.480 1.00 0.00 H ATOM 888 HD13 ILE A 467 1.047 -9.686 6.361 1.00 0.00 H ATOM 889 HG21 ILE A 467 1.399 -5.752 9.589 1.00 0.00 H ATOM 890 HG22 ILE A 467 0.765 -7.392 9.310 1.00 0.00 H ATOM 891 HG23 ILE A 467 2.522 -7.120 9.392 1.00 0.00 H ATOM 892 H ILE A 467 1.193 -5.630 5.156 1.00 0.00 H ATOM 893 N HIS A 468 0.547 -3.470 7.493 1.00 16.25 N ATOM 894 CA HIS A 468 0.312 -2.211 8.189 1.00 16.58 C ATOM 895 C HIS A 468 -1.150 -1.809 8.034 1.00 17.26 C ATOM 896 O HIS A 468 -1.763 -1.292 8.967 1.00 18.39 O ATOM 897 CB HIS A 468 1.216 -1.124 7.628 1.00 16.39 C ATOM 898 CG HIS A 468 2.670 -1.386 7.853 1.00 16.03 C ATOM 899 ND1 HIS A 468 3.660 -0.607 7.297 1.00 17.90 N ATOM 900 CD2 HIS A 468 3.303 -2.352 8.561 1.00 17.60 C ATOM 901 CE1 HIS A 468 4.841 -1.083 7.649 1.00 16.78 C ATOM 902 NE2 HIS A 468 4.652 -2.141 8.416 1.00 18.48 N ATOM 903 HA HIS A 468 0.539 -2.339 9.247 1.00 0.00 H ATOM 904 HB2 HIS A 468 1.040 -1.048 6.555 1.00 0.00 H ATOM 905 HB3 HIS A 468 0.957 -0.179 8.105 1.00 0.00 H ATOM 906 HD2 HIS A 468 2.830 -3.147 9.137 1.00 0.00 H ATOM 907 HE1 HIS A 468 5.807 -0.672 7.356 1.00 0.00 H ATOM 908 H HIS A 468 1.177 -3.491 6.666 1.00 0.00 H ATOM 909 N LEU A 469 -1.701 -2.045 6.849 1.00 15.74 N ATOM 910 CA LEU A 469 -3.097 -1.727 6.596 1.00 16.97 C ATOM 911 C LEU A 469 -3.986 -2.567 7.510 1.00 17.57 C ATOM 912 O LEU A 469 -4.935 -2.064 8.091 1.00 19.45 O ATOM 913 CB LEU A 469 -3.446 -1.989 5.122 1.00 16.93 C ATOM 914 CG LEU A 469 -3.079 -0.841 4.164 1.00 17.45 C ATOM 915 CD1 LEU A 469 -2.986 -1.320 2.720 1.00 15.80 C ATOM 916 CD2 LEU A 469 -4.120 0.252 4.309 1.00 16.73 C ATOM 917 HA LEU A 469 -3.267 -0.671 6.805 1.00 0.00 H ATOM 918 HB2 LEU A 469 -2.914 -2.884 4.800 1.00 0.00 H ATOM 919 HB3 LEU A 469 -4.520 -2.161 5.052 1.00 0.00 H ATOM 920 HG LEU A 469 -2.094 -0.454 4.426 1.00 0.00 H ATOM 921 HD21 LEU A 469 -5.102 -0.147 4.056 1.00 0.00 H ATOM 922 HD22 LEU A 469 -4.127 0.611 5.338 1.00 0.00 H ATOM 923 HD23 LEU A 469 -3.877 1.075 3.637 1.00 0.00 H ATOM 924 HD11 LEU A 469 -2.219 -2.091 2.643 1.00 0.00 H ATOM 925 HD12 LEU A 469 -3.948 -1.731 2.412 1.00 0.00 H ATOM 926 HD13 LEU A 469 -2.725 -0.480 2.076 1.00 0.00 H ATOM 927 H LEU A 469 -1.125 -2.464 6.091 1.00 0.00 H ATOM 928 N SER A 470 -3.661 -3.847 7.647 1.00 18.04 N ATOM 929 CA SER A 470 -4.443 -4.746 8.489 1.00 20.43 C ATOM 930 C SER A 470 -4.329 -4.415 9.982 1.00 21.37 C ATOM 931 O SER A 470 -5.165 -4.828 10.777 1.00 22.91 O ATOM 932 CB SER A 470 -3.999 -6.197 8.263 1.00 20.61 C ATOM 933 OG SER A 470 -2.773 -6.469 8.920 1.00 20.34 O ATOM 934 HA SER A 470 -5.486 -4.614 8.200 1.00 0.00 H ATOM 935 HB2 SER A 470 -3.875 -6.368 7.194 1.00 0.00 H ATOM 936 HB3 SER A 470 -4.766 -6.868 8.650 1.00 0.00 H ATOM 937 HG SER A 470 -2.071 -5.866 8.569 1.00 0.00 H ATOM 938 H SER A 470 -2.830 -4.217 7.143 1.00 0.00 H ATOM 939 N GLU A 471 -3.292 -3.667 10.347 1.00 20.28 N ATOM 940 CA GLU A 471 -3.043 -3.301 11.741 1.00 23.09 C ATOM 941 C GLU A 471 -3.532 -1.901 12.097 1.00 23.16 C ATOM 942 O GLU A 471 -3.212 -1.384 13.165 1.00 26.26 O ATOM 943 CB GLU A 471 -1.535 -3.406 12.043 1.00 22.59 C ATOM 944 CG GLU A 471 -0.997 -4.824 12.003 1.00 25.57 C ATOM 945 CD GLU A 471 0.520 -4.887 12.050 1.00 28.33 C ATOM 946 OE1 GLU A 471 1.055 -5.954 12.416 1.00 29.45 O ATOM 947 OE2 GLU A 471 1.181 -3.880 11.710 1.00 30.10 O ATOM 948 HA GLU A 471 -3.612 -4.001 12.353 1.00 0.00 H ATOM 949 HB2 GLU A 471 -0.995 -2.813 11.305 1.00 0.00 H ATOM 950 HB3 GLU A 471 -1.355 -2.998 13.038 1.00 0.00 H ATOM 951 HG2 GLU A 471 -1.394 -5.370 12.859 1.00 0.00 H ATOM 952 HG3 GLU A 471 -1.336 -5.298 11.082 1.00 0.00 H ATOM 953 H GLU A 471 -2.634 -3.330 9.615 1.00 0.00 H ATOM 954 N GLY A 472 -4.308 -1.294 11.204 1.00 20.94 N ATOM 955 CA GLY A 472 -4.809 0.044 11.456 1.00 19.69 C ATOM 956 C GLY A 472 -6.255 0.219 11.040 1.00 19.44 C ATOM 957 O GLY A 472 -6.868 -0.699 10.499 1.00 16.67 O ATOM 958 HA3 GLY A 472 -4.198 0.755 10.900 1.00 0.00 H ATOM 959 HA2 GLY A 472 -4.726 0.252 12.523 1.00 0.00 H ATOM 960 H GLY A 472 -4.557 -1.781 10.320 1.00 0.00 H ATOM 961 N SER A 473 -6.797 1.408 11.279 1.00 18.30 N ATOM 962 CA SER A 473 -8.191 1.681 10.935 1.00 19.08 C ATOM 963 C SER A 473 -8.336 2.465 9.632 1.00 19.50 C ATOM 964 O SER A 473 -9.429 2.894 9.274 1.00 16.73 O ATOM 965 CB SER A 473 -8.869 2.435 12.080 1.00 18.50 C ATOM 966 OG SER A 473 -8.208 3.657 12.338 1.00 18.03 O ATOM 967 HA SER A 473 -8.679 0.719 10.781 1.00 0.00 H ATOM 968 HB2 SER A 473 -8.844 1.818 12.978 1.00 0.00 H ATOM 969 HB3 SER A 473 -9.905 2.639 11.810 1.00 0.00 H ATOM 970 HG SER A 473 -8.232 4.222 11.525 1.00 0.00 H ATOM 971 H SER A 473 -6.221 2.155 11.717 1.00 0.00 H ATOM 972 N ASN A 474 -7.224 2.653 8.929 1.00 18.96 N ATOM 973 CA ASN A 474 -7.246 3.371 7.658 1.00 20.37 C ATOM 974 C ASN A 474 -8.046 2.588 6.626 1.00 18.56 C ATOM 975 O ASN A 474 -7.972 1.366 6.567 1.00 16.26 O ATOM 976 CB ASN A 474 -5.822 3.576 7.128 1.00 23.23 C ATOM 977 CG ASN A 474 -5.099 4.708 7.820 1.00 22.83 C ATOM 978 OD1 ASN A 474 -4.934 5.779 7.263 1.00 27.91 O ATOM 979 ND2 ASN A 474 -4.674 4.472 9.046 1.00 26.16 N ATOM 980 HA ASN A 474 -7.712 4.342 7.828 1.00 0.00 H ATOM 981 HB2 ASN A 474 -5.257 2.656 7.280 1.00 0.00 H ATOM 982 HB3 ASN A 474 -5.875 3.796 6.062 1.00 0.00 H ATOM 983 HD22 ASN A 474 -4.837 3.542 9.483 1.00 0.00 H ATOM 984 HD21 ASN A 474 -4.176 5.216 9.576 1.00 0.00 H ATOM 985 H ASN A 474 -6.322 2.282 9.291 1.00 0.00 H ATOM 986 N LYS A 475 -8.818 3.303 5.820 1.00 18.11 N ATOM 987 CA LYS A 475 -9.599 2.658 4.779 1.00 19.40 C ATOM 988 C LYS A 475 -8.726 2.489 3.554 1.00 18.82 C ATOM 989 O LYS A 475 -7.838 3.292 3.310 1.00 18.22 O ATOM 990 CB LYS A 475 -10.813 3.496 4.430 1.00 20.63 C ATOM 991 CG LYS A 475 -11.902 3.432 5.476 1.00 24.24 C ATOM 992 CD LYS A 475 -13.111 4.246 5.047 1.00 28.94 C ATOM 993 CE LYS A 475 -14.350 3.853 5.847 1.00 31.06 C ATOM 994 NZ LYS A 475 -14.115 3.911 7.322 1.00 33.50 N ATOM 995 HA LYS A 475 -9.943 1.686 5.133 1.00 0.00 H ATOM 996 HB2 LYS A 475 -10.498 4.534 4.321 1.00 0.00 H ATOM 997 HB3 LYS A 475 -11.220 3.139 3.484 1.00 0.00 H ATOM 998 HG2 LYS A 475 -12.202 2.394 5.617 1.00 0.00 H ATOM 999 HG3 LYS A 475 -11.519 3.829 6.416 1.00 0.00 H ATOM 1000 HD2 LYS A 475 -12.904 5.304 5.208 1.00 0.00 H ATOM 1001 HD3 LYS A 475 -13.301 4.071 3.988 1.00 0.00 H ATOM 1002 HE2 LYS A 475 -14.634 2.836 5.577 1.00 0.00 H ATOM 1003 HE3 LYS A 475 -15.162 4.535 5.594 1.00 0.00 H ATOM 1004 HZ1 LYS A 475 -13.347 3.257 7.575 1.00 0.00 H ATOM 1005 HZ2 LYS A 475 -13.851 4.880 7.592 1.00 0.00 H ATOM 1006 HZ3 LYS A 475 -14.985 3.636 7.821 1.00 0.00 H ATOM 1007 H LYS A 475 -8.865 4.336 5.934 1.00 0.00 H ATOM 1008 N TYR A 476 -8.979 1.430 2.794 1.00 18.07 N ATOM 1009 CA TYR A 476 -8.215 1.168 1.585 1.00 16.02 C ATOM 1010 C TYR A 476 -9.100 1.307 0.352 1.00 18.01 C ATOM 1011 O TYR A 476 -10.295 1.023 0.404 1.00 16.61 O ATOM 1012 CB TYR A 476 -7.615 -0.246 1.635 1.00 16.24 C ATOM 1013 CG TYR A 476 -6.941 -0.664 0.347 1.00 17.98 C ATOM 1014 CD1 TYR A 476 -7.596 -1.478 -0.577 1.00 14.99 C ATOM 1015 CD2 TYR A 476 -5.660 -0.215 0.037 1.00 16.72 C ATOM 1016 CE1 TYR A 476 -6.991 -1.831 -1.777 1.00 17.30 C ATOM 1017 CE2 TYR A 476 -5.049 -0.561 -1.161 1.00 15.99 C ATOM 1018 CZ TYR A 476 -5.718 -1.364 -2.061 1.00 13.06 C ATOM 1019 OH TYR A 476 -5.125 -1.669 -3.262 1.00 14.54 O ATOM 1020 HA TYR A 476 -7.409 1.899 1.523 1.00 0.00 H ATOM 1021 HB3 TYR A 476 -8.416 -0.953 1.850 1.00 0.00 H ATOM 1022 HB2 TYR A 476 -6.877 -0.279 2.437 1.00 0.00 H ATOM 1023 HD2 TYR A 476 -5.128 0.419 0.747 1.00 0.00 H ATOM 1024 HE2 TYR A 476 -4.046 -0.200 -1.389 1.00 0.00 H ATOM 1025 HE1 TYR A 476 -7.514 -2.470 -2.489 1.00 0.00 H ATOM 1026 HD1 TYR A 476 -8.599 -1.843 -0.354 1.00 0.00 H ATOM 1027 HH TYR A 476 -4.948 -0.834 -3.763 1.00 0.00 H ATOM 1028 H TYR A 476 -9.739 0.775 3.069 1.00 0.00 H ATOM 1029 N TYR A 477 -8.504 1.765 -0.746 1.00 17.75 N ATOM 1030 CA TYR A 477 -9.213 1.912 -2.011 1.00 19.60 C ATOM 1031 C TYR A 477 -8.401 1.236 -3.100 1.00 17.74 C ATOM 1032 O TYR A 477 -7.268 1.622 -3.359 1.00 20.15 O ATOM 1033 CB TYR A 477 -9.425 3.388 -2.345 1.00 20.83 C ATOM 1034 CG TYR A 477 -10.290 4.092 -1.328 1.00 21.57 C ATOM 1035 CD1 TYR A 477 -9.739 4.610 -0.156 1.00 22.12 C ATOM 1036 CD2 TYR A 477 -11.668 4.197 -1.515 1.00 21.79 C ATOM 1037 CE1 TYR A 477 -10.538 5.214 0.804 1.00 23.29 C ATOM 1038 CE2 TYR A 477 -12.478 4.798 -0.561 1.00 22.47 C ATOM 1039 CZ TYR A 477 -11.908 5.303 0.595 1.00 24.11 C ATOM 1040 OH TYR A 477 -12.702 5.889 1.547 1.00 23.13 O ATOM 1041 HA TYR A 477 -10.195 1.445 -1.935 1.00 0.00 H ATOM 1042 HB3 TYR A 477 -9.904 3.461 -3.322 1.00 0.00 H ATOM 1043 HB2 TYR A 477 -8.454 3.882 -2.380 1.00 0.00 H ATOM 1044 HD2 TYR A 477 -12.117 3.800 -2.426 1.00 0.00 H ATOM 1045 HE2 TYR A 477 -13.554 4.872 -0.721 1.00 0.00 H ATOM 1046 HE1 TYR A 477 -10.094 5.615 1.715 1.00 0.00 H ATOM 1047 HD1 TYR A 477 -8.664 4.539 0.008 1.00 0.00 H ATOM 1048 HH TYR A 477 -13.366 5.230 1.873 1.00 0.00 H ATOM 1049 H TYR A 477 -7.499 2.027 -0.700 1.00 0.00 H ATOM 1050 N CYS A 478 -8.979 0.217 -3.730 1.00 19.55 N ATOM 1051 CA CYS A 478 -8.267 -0.514 -4.776 1.00 19.73 C ATOM 1052 C CYS A 478 -7.759 0.417 -5.876 1.00 20.62 C ATOM 1053 O CYS A 478 -8.155 1.579 -5.961 1.00 19.25 O ATOM 1054 CB CYS A 478 -9.160 -1.606 -5.379 1.00 18.52 C ATOM 1055 SG CYS A 478 -10.476 -1.015 -6.456 1.00 19.26 S ATOM 1056 HA CYS A 478 -7.400 -0.982 -4.309 1.00 0.00 H ATOM 1057 HB2 CYS A 478 -9.618 -2.158 -4.558 1.00 0.00 H ATOM 1058 HB3 CYS A 478 -8.527 -2.278 -5.958 1.00 0.00 H ATOM 1059 HG CYS A 478 -11.308 -0.175 -5.744 1.00 0.00 H ATOM 1060 H CYS A 478 -9.948 -0.062 -3.475 1.00 0.00 H ATOM 1061 N ASN A 479 -6.875 -0.110 -6.717 1.00 21.01 N ATOM 1062 CA ASN A 479 -6.274 0.661 -7.804 1.00 23.27 C ATOM 1063 C ASN A 479 -7.306 1.245 -8.773 1.00 24.02 C ATOM 1064 O ASN A 479 -7.092 2.302 -9.360 1.00 21.57 O ATOM 1065 CB ASN A 479 -5.250 -0.215 -8.520 1.00 23.20 C ATOM 1066 CG ASN A 479 -4.065 -0.570 -7.620 1.00 26.55 C ATOM 1067 OD1 ASN A 479 -3.405 -1.588 -7.812 1.00 27.31 O ATOM 1068 ND2 ASN A 479 -3.792 0.283 -6.636 1.00 27.48 N ATOM 1069 HA ASN A 479 -5.775 1.529 -7.372 1.00 0.00 H ATOM 1070 HB2 ASN A 479 -5.737 -1.136 -8.839 1.00 0.00 H ATOM 1071 HB3 ASN A 479 -4.879 0.320 -9.394 1.00 0.00 H ATOM 1072 HD22 ASN A 479 -4.376 1.134 -6.508 1.00 0.00 H ATOM 1073 HD21 ASN A 479 -2.994 0.099 -5.995 1.00 0.00 H ATOM 1074 H ASN A 479 -6.601 -1.106 -6.598 1.00 0.00 H ATOM 1075 N GLU A 480 -8.405 0.525 -8.955 1.00 24.31 N ATOM 1076 CA GLU A 480 -9.485 1.023 -9.783 1.00 25.80 C ATOM 1077 C GLU A 480 -10.201 2.200 -9.255 1.00 24.11 C ATOM 1078 O GLU A 480 -10.577 2.976 -10.010 1.00 23.54 O ATOM 1079 CB GLU A 480 -10.605 0.030 -10.007 1.00 29.14 C ATOM 1080 CG GLU A 480 -10.190 -1.200 -10.486 1.00 34.78 C ATOM 1081 CD GLU A 480 -10.372 -1.338 -11.914 1.00 37.39 C ATOM 1082 OE1 GLU A 480 -11.479 -1.605 -12.378 1.00 39.67 O ATOM 1083 OE2 GLU A 480 -9.375 -1.215 -12.601 1.00 38.50 O ATOM 1084 HA GLU A 480 -8.928 1.258 -10.690 1.00 0.00 H ATOM 1085 HB2 GLU A 480 -11.116 -0.128 -9.057 1.00 0.00 H ATOM 1086 HB3 GLU A 480 -11.303 0.459 -10.726 1.00 0.00 H ATOM 1087 HG2 GLU A 480 -9.132 -1.324 -10.256 1.00 0.00 H ATOM 1088 HG3 GLU A 480 -10.763 -1.980 -9.985 1.00 0.00 H ATOM 1089 H GLU A 480 -8.492 -0.406 -8.499 1.00 0.00 H ATOM 1090 N HIS A 481 -10.451 2.274 -7.960 1.00 23.81 N ATOM 1091 CA HIS A 481 -11.219 3.373 -7.400 1.00 22.09 C ATOM 1092 C HIS A 481 -10.448 4.436 -6.633 1.00 22.36 C ATOM 1093 O HIS A 481 -11.002 5.480 -6.314 1.00 20.49 O ATOM 1094 CB HIS A 481 -12.284 2.785 -6.478 1.00 21.44 C ATOM 1095 CG HIS A 481 -13.188 1.800 -7.149 1.00 21.43 C ATOM 1096 ND1 HIS A 481 -13.584 0.627 -6.545 1.00 24.38 N ATOM 1097 CD2 HIS A 481 -13.790 1.820 -8.362 1.00 22.69 C ATOM 1098 CE1 HIS A 481 -14.391 -0.035 -7.356 1.00 20.53 C ATOM 1099 NE2 HIS A 481 -14.532 0.667 -8.465 1.00 24.94 N ATOM 1100 HA HIS A 481 -11.623 3.902 -8.264 1.00 0.00 H ATOM 1101 HB2 HIS A 481 -11.783 2.283 -5.650 1.00 0.00 H ATOM 1102 HB3 HIS A 481 -12.893 3.602 -6.091 1.00 0.00 H ATOM 1103 HD2 HIS A 481 -13.703 2.603 -9.115 1.00 0.00 H ATOM 1104 HE1 HIS A 481 -14.860 -0.996 -7.145 1.00 0.00 H ATOM 1105 H HIS A 481 -10.091 1.530 -7.328 1.00 0.00 H ATOM 1106 N VAL A 482 -9.178 4.176 -6.342 1.00 22.96 N ATOM 1107 CA VAL A 482 -8.382 5.114 -5.559 1.00 25.52 C ATOM 1108 C VAL A 482 -8.334 6.552 -6.070 1.00 27.41 C ATOM 1109 O VAL A 482 -8.290 7.481 -5.279 1.00 26.34 O ATOM 1110 CB VAL A 482 -6.937 4.599 -5.384 1.00 25.71 C ATOM 1111 CG1 VAL A 482 -6.167 4.736 -6.683 1.00 25.00 C ATOM 1112 CG2 VAL A 482 -6.261 5.345 -4.256 1.00 22.82 C ATOM 1113 HA VAL A 482 -8.911 5.158 -4.607 1.00 0.00 H ATOM 1114 HB VAL A 482 -6.959 3.540 -5.126 1.00 0.00 H ATOM 1115 HG11 VAL A 482 -6.661 4.153 -7.460 1.00 0.00 H ATOM 1116 HG12 VAL A 482 -6.138 5.785 -6.978 1.00 0.00 H ATOM 1117 HG13 VAL A 482 -5.151 4.368 -6.542 1.00 0.00 H ATOM 1118 HG21 VAL A 482 -6.239 6.410 -4.488 1.00 0.00 H ATOM 1119 HG22 VAL A 482 -6.816 5.184 -3.332 1.00 0.00 H ATOM 1120 HG23 VAL A 482 -5.242 4.977 -4.138 1.00 0.00 H ATOM 1121 H VAL A 482 -8.746 3.291 -6.677 1.00 0.00 H ATOM 1122 N GLN A 483 -8.351 6.739 -7.385 1.00 30.87 N ATOM 1123 CA GLN A 483 -8.281 8.086 -7.944 1.00 34.60 C ATOM 1124 C GLN A 483 -9.633 8.776 -8.069 1.00 36.49 C ATOM 1125 O GLN A 483 -9.718 9.884 -8.584 1.00 36.74 O ATOM 1126 CB GLN A 483 -7.589 8.054 -9.314 1.00 37.06 C ATOM 1127 CG GLN A 483 -6.167 7.501 -9.266 1.00 42.69 C ATOM 1128 CD GLN A 483 -5.430 7.629 -10.589 1.00 45.31 C ATOM 1129 OE1 GLN A 483 -5.816 7.033 -11.588 1.00 47.98 O ATOM 1130 NE2 GLN A 483 -4.355 8.413 -10.595 1.00 47.16 N ATOM 1131 HA GLN A 483 -7.699 8.674 -7.234 1.00 0.00 H ATOM 1132 HB2 GLN A 483 -8.180 7.430 -9.985 1.00 0.00 H ATOM 1133 HB3 GLN A 483 -7.551 9.071 -9.705 1.00 0.00 H ATOM 1134 HG2 GLN A 483 -5.609 8.045 -8.504 1.00 0.00 H ATOM 1135 HG3 GLN A 483 -6.214 6.446 -8.996 1.00 0.00 H ATOM 1136 HE22 GLN A 483 -4.062 8.901 -9.724 1.00 0.00 H ATOM 1137 HE21 GLN A 483 -3.808 8.538 -11.470 1.00 0.00 H ATOM 1138 H GLN A 483 -8.415 5.919 -8.022 1.00 0.00 H ATOM 1139 N ILE A 484 -10.689 8.124 -7.593 1.00 38.15 N ATOM 1140 CA ILE A 484 -12.023 8.711 -7.672 1.00 38.75 C ATOM 1141 C ILE A 484 -12.263 9.718 -6.560 1.00 39.94 C ATOM 1142 O ILE A 484 -12.025 9.433 -5.392 1.00 41.05 O ATOM 1143 CB ILE A 484 -13.123 7.636 -7.607 1.00 38.80 C ATOM 1144 CG1 ILE A 484 -13.015 6.711 -8.825 1.00 36.77 C ATOM 1145 CG2 ILE A 484 -14.496 8.304 -7.553 1.00 37.90 C ATOM 1146 CD1 ILE A 484 -14.099 5.664 -8.901 1.00 36.97 C ATOM 1147 HA ILE A 484 -12.071 9.220 -8.635 1.00 0.00 H ATOM 1148 HB ILE A 484 -12.995 7.037 -6.705 1.00 0.00 H ATOM 1149 HG12 ILE A 484 -13.066 7.323 -9.726 1.00 0.00 H ATOM 1150 HG13 ILE A 484 -12.051 6.204 -8.786 1.00 0.00 H ATOM 1151 HD11 ILE A 484 -14.056 5.033 -8.013 1.00 0.00 H ATOM 1152 HD12 ILE A 484 -15.072 6.153 -8.954 1.00 0.00 H ATOM 1153 HD13 ILE A 484 -13.950 5.052 -9.791 1.00 0.00 H ATOM 1154 HG21 ILE A 484 -14.556 8.937 -6.667 1.00 0.00 H ATOM 1155 HG22 ILE A 484 -14.638 8.913 -8.446 1.00 0.00 H ATOM 1156 HG23 ILE A 484 -15.270 7.538 -7.507 1.00 0.00 H ATOM 1157 H ILE A 484 -10.564 7.187 -7.160 1.00 0.00 H ATOM 1158 N ALA A 485 -12.736 10.900 -6.942 1.00 40.51 N ATOM 1159 CA ALA A 485 -13.016 11.962 -5.993 1.00 41.08 C ATOM 1160 C ALA A 485 -14.019 11.476 -4.985 1.00 42.01 C ATOM 1161 O ALA A 485 -15.157 11.152 -5.300 1.00 43.42 O ATOM 1162 CB ALA A 485 -13.544 13.190 -6.704 1.00 41.19 C ATOM 1163 HA ALA A 485 -12.092 12.236 -5.485 1.00 0.00 H ATOM 1164 HB1 ALA A 485 -12.800 13.542 -7.419 1.00 0.00 H ATOM 1165 HB2 ALA A 485 -14.464 12.936 -7.231 1.00 0.00 H ATOM 1166 HB3 ALA A 485 -13.747 13.973 -5.973 1.00 0.00 H ATOM 1167 H ALA A 485 -12.911 11.069 -7.953 1.00 0.00 H ATOM 1168 N ARG A 486 -13.559 11.416 -3.760 1.00 42.11 N ATOM 1169 CA ARG A 486 -14.404 10.967 -2.703 1.00 43.94 C ATOM 1170 C ARG A 486 -15.137 12.188 -2.229 1.00 44.55 C ATOM 1171 O ARG A 486 -15.460 12.195 -1.135 1.00 46.50 O ATOM 1172 CB ARG A 486 -13.567 10.386 -1.500 1.00 43.22 C ATOM 1173 CG ARG A 486 -12.966 8.965 -1.657 1.00 43.15 C ATOM 1174 CD ARG A 486 -11.571 8.722 -0.998 1.00 42.31 C ATOM 1175 NE ARG A 486 -10.532 8.233 -1.925 1.00 40.40 N ATOM 1176 CZ ARG A 486 -9.255 8.153 -1.578 1.00 40.56 C ATOM 1177 NH1 ARG A 486 -8.936 8.519 -0.364 1.00 41.28 N ATOM 1178 NH2 ARG A 486 -8.309 7.712 -2.393 1.00 35.92 N ATOM 1179 HA ARG A 486 -15.066 10.175 -3.055 1.00 0.00 H ATOM 1180 HB2 ARG A 486 -12.739 11.071 -1.319 1.00 0.00 H ATOM 1181 HB3 ARG A 486 -14.220 10.368 -0.628 1.00 0.00 H ATOM 1182 HG2 ARG A 486 -13.668 8.257 -1.217 1.00 0.00 H ATOM 1183 HG3 ARG A 486 -12.869 8.762 -2.724 1.00 0.00 H ATOM 1184 HD2 ARG A 486 -11.693 7.985 -0.204 1.00 0.00 H ATOM 1185 HD3 ARG A 486 -11.229 9.664 -0.569 1.00 0.00 H ATOM 1186 HE ARG A 486 -10.811 7.941 -2.883 1.00 0.00 H ATOM 1187 HH12 ARG A 486 -7.946 8.472 -0.050 1.00 0.00 H ATOM 1188 HH11 ARG A 486 -9.673 8.857 0.288 1.00 0.00 H ATOM 1189 HH22 ARG A 486 -7.322 7.670 -2.069 1.00 0.00 H ATOM 1190 HH21 ARG A 486 -8.553 7.408 -3.357 1.00 0.00 H ATOM 1191 H ARG A 486 -12.578 11.696 -3.558 1.00 0.00 H ATOM 1192 N ALA A 487 -15.412 13.183 -3.077 1.00 44.65 N ATOM 1193 CA ALA A 487 -16.067 14.447 -2.703 1.00 44.71 C ATOM 1194 C ALA A 487 -17.590 14.474 -2.828 1.00 44.77 C ATOM 1195 O ALA A 487 -18.152 13.684 -3.614 1.00 45.29 O ATOM 1196 CB ALA A 487 -15.470 15.566 -3.559 1.00 44.62 C ATOM 1197 HA ALA A 487 -15.875 14.578 -1.638 1.00 0.00 H ATOM 1198 OXT ALA A 487 -18.203 15.321 -2.148 1.00 44.13 O ATOM 1199 HB1 ALA A 487 -14.398 15.630 -3.375 1.00 0.00 H ATOM 1200 HB2 ALA A 487 -15.646 15.349 -4.613 1.00 0.00 H ATOM 1201 HB3 ALA A 487 -15.942 16.513 -3.298 1.00 0.00 H ATOM 1202 H ALA A 487 -15.144 13.055 -4.074 1.00 0.00 H TER 1203 ALA A 487 HETATM 1204 ZN ZN A 1 -7.612 -10.685 -7.827 1.00 17.76 ZN HETATM 1205 ZN ZN A 2 -12.436 -0.707 -5.292 1.00 20.45 ZN HETATM 1206 O HOH 3 3.130 -1.355 -10.307 1.00 46.68 O HETATM 1207 O HOH 4 -0.905 -17.263 -8.414 1.00 25.20 O HETATM 1208 O HOH 5 -6.912 2.298 -13.169 1.00 44.27 O HETATM 1209 O HOH 6 -10.653 -27.688 -14.225 1.00 46.59 O HETATM 1210 O HOH 7 8.857 -7.392 5.049 1.00 46.00 O HETATM 1211 O HOH 8 5.541 -6.101 8.395 1.00 42.69 O HETATM 1212 O HOH 9 -12.474 5.241 12.078 1.00 36.21 O HETATM 1213 O HOH 10 -6.986 3.837 -16.149 1.00 39.17 O HETATM 1214 O HOH 11 7.053 -7.224 6.611 1.00 44.14 O HETATM 1215 O HOH 12 -15.169 -11.523 -1.829 1.00 39.20 O HETATM 1216 O HOH 13 -12.169 -16.712 5.799 1.00 32.29 O HETATM 1217 O HOH 14 -14.364 -18.424 -0.763 1.00 31.30 O HETATM 1218 O HOH 15 -13.502 -19.641 -9.777 1.00 41.77 O HETATM 1219 O HOH 16 -14.906 -17.565 -3.614 1.00 33.86 O HETATM 1220 O HOH 17 -10.254 -16.145 -8.290 1.00 29.00 O HETATM 1221 O HOH 18 -16.065 -12.732 -9.591 1.00 33.72 O HETATM 1222 O HOH 19 -11.564 -15.469 -13.743 1.00 47.27 O HETATM 1223 O HOH 20 -12.930 -4.512 -9.181 1.00 26.05 O HETATM 1224 O HOH 21 -9.339 -8.162 -19.102 1.00 48.21 O HETATM 1225 O HOH 22 -7.345 -4.330 -12.733 1.00 23.38 O HETATM 1226 O HOH 23 -3.463 -4.291 -12.479 1.00 42.01 O HETATM 1227 O HOH 24 -4.397 -7.512 -10.917 1.00 23.76 O HETATM 1228 O HOH 25 -8.182 -11.388 -15.406 1.00 31.87 O HETATM 1229 O HOH 26 -8.129 -14.899 -13.201 1.00 42.57 O HETATM 1230 O HOH 27 -1.811 -8.986 -11.047 1.00 33.01 O HETATM 1231 O HOH 28 -3.652 -17.571 -9.306 1.00 11.66 O HETATM 1232 O HOH 29 -2.081 -15.360 -12.586 1.00 44.85 O HETATM 1233 O HOH 30 -4.413 -13.535 -15.534 1.00 32.03 O HETATM 1234 O HOH 31 -11.000 -18.562 -9.105 1.00 15.05 O HETATM 1235 O HOH 32 -6.862 -27.354 -12.083 1.00 40.32 O HETATM 1236 O HOH 33 0.413 -19.679 -9.719 1.00 27.67 O HETATM 1237 O HOH 34 -3.562 -17.397 -12.777 1.00 43.11 O HETATM 1238 O HOH 35 4.988 -20.264 -2.226 1.00 23.92 O HETATM 1239 O HOH 36 5.340 -17.267 -4.184 1.00 39.33 O HETATM 1240 O HOH 37 3.667 -20.723 2.225 1.00 13.96 O HETATM 1241 O HOH 38 -2.122 -14.145 -3.205 1.00 10.73 O HETATM 1242 O HOH 39 -3.752 -18.585 3.249 1.00 14.85 O HETATM 1243 O HOH 40 -4.694 -21.471 4.933 1.00 36.09 O HETATM 1244 O HOH 41 -5.593 -23.411 -2.263 1.00 14.21 O HETATM 1245 O HOH 42 -3.558 -11.939 -2.746 1.00 13.54 O HETATM 1246 O HOH 43 -19.418 -4.735 1.203 1.00 49.94 O HETATM 1247 O HOH 44 -18.282 -0.033 3.477 1.00 37.02 O HETATM 1248 O HOH 45 -11.108 -0.357 3.400 1.00 19.06 O HETATM 1249 O HOH 46 -15.327 1.130 4.719 1.00 39.05 O HETATM 1250 O HOH 47 -14.406 6.379 -3.254 1.00 47.56 O HETATM 1251 O HOH 48 -17.292 6.047 -1.843 1.00 49.13 O HETATM 1252 O HOH 49 -18.930 4.828 0.074 1.00 31.78 O HETATM 1253 O HOH 50 -22.314 3.745 -2.969 1.00 40.98 O HETATM 1254 O HOH 51 -20.133 0.229 -5.562 1.00 45.78 O HETATM 1255 O HOH 52 -23.460 1.074 1.054 1.00 53.57 O HETATM 1256 O HOH 53 -22.212 -1.866 2.284 1.00 52.24 O HETATM 1257 O HOH 54 -19.242 -2.264 -4.629 1.00 49.52 O HETATM 1258 O HOH 55 -16.538 -8.339 -2.806 1.00 38.47 O HETATM 1259 O HOH 56 -13.775 -7.344 -6.212 1.00 22.00 O HETATM 1260 O HOH 57 0.019 -16.109 -6.091 1.00 19.19 O HETATM 1261 O HOH 58 2.591 -15.509 -7.268 1.00 32.31 O HETATM 1262 O HOH 59 1.665 -10.945 -9.076 1.00 24.44 O HETATM 1263 O HOH 60 -0.259 -1.183 -9.199 1.00 38.30 O HETATM 1264 O HOH 61 2.974 -5.879 -11.087 1.00 29.28 O HETATM 1265 O HOH 62 -1.934 -2.996 -10.246 1.00 46.74 O HETATM 1266 O HOH 63 0.314 -8.534 -9.427 1.00 34.74 O HETATM 1267 O HOH 64 4.231 -2.741 -6.453 1.00 48.25 O HETATM 1268 O HOH 65 8.013 0.084 -0.562 1.00 39.19 O HETATM 1269 O HOH 66 6.265 -0.872 -5.552 1.00 38.33 O HETATM 1270 O HOH 67 5.883 -8.338 -0.893 1.00 20.92 O HETATM 1271 O HOH 68 6.724 -12.005 0.933 1.00 40.67 O HETATM 1272 O HOH 69 4.514 -10.325 7.673 1.00 42.93 O HETATM 1273 O HOH 70 7.187 -6.072 2.172 1.00 17.47 O HETATM 1274 O HOH 71 5.582 0.416 5.136 1.00 21.26 O HETATM 1275 O HOH 72 6.613 -3.704 9.263 1.00 24.74 O HETATM 1276 O HOH 73 -4.775 0.816 8.344 1.00 19.42 O HETATM 1277 O HOH 74 -3.928 -7.137 14.035 1.00 40.98 O HETATM 1278 O HOH 75 -2.959 1.272 14.102 1.00 23.95 O HETATM 1279 O HOH 76 -2.369 -2.561 15.728 1.00 37.18 O HETATM 1280 O HOH 77 -7.662 -3.197 11.335 1.00 39.14 O HETATM 1281 O HOH 78 -12.019 2.086 9.019 1.00 32.94 O HETATM 1282 O HOH 79 -8.094 5.992 10.507 1.00 42.53 O HETATM 1283 O HOH 80 -9.890 5.736 12.213 1.00 24.25 O HETATM 1284 O HOH 81 -3.050 2.598 9.695 1.00 28.42 O HETATM 1285 O HOH 82 -9.342 6.171 6.373 1.00 28.63 O HETATM 1286 O HOH 83 -12.401 -18.031 8.756 1.00 41.48 O HETATM 1287 O HOH 84 -4.756 1.485 -4.296 1.00 24.35 O HETATM 1288 O HOH 85 -6.033 3.418 -0.317 1.00 15.09 O HETATM 1289 O HOH 86 -15.149 5.901 1.266 1.00 31.71 O HETATM 1290 O HOH 87 -9.941 -6.860 -21.329 1.00 44.62 O HETATM 1291 O HOH 88 -6.840 -2.890 -10.284 1.00 23.74 O HETATM 1292 O HOH 89 -4.793 3.549 -9.534 1.00 42.33 O HETATM 1293 O HOH 90 -2.245 3.467 -6.798 1.00 40.92 O HETATM 1294 O HOH 91 -4.407 -3.406 -9.871 1.00 36.10 O HETATM 1295 O HOH 92 -6.197 -0.724 -12.063 1.00 34.72 O HETATM 1296 O HOH 93 -8.806 -2.599 -8.551 1.00 38.07 O HETATM 1297 O HOH 94 -7.717 -2.372 -14.498 1.00 33.89 O HETATM 1298 O HOH 95 -7.860 -26.505 -14.847 1.00 46.91 O HETATM 1299 O HOH 96 -11.831 6.874 -4.311 1.00 27.99 O HETATM 1300 O HOH 97 -14.700 -1.716 -10.541 1.00 50.80 O HETATM 1301 O HOH 98 -4.465 10.288 -8.816 1.00 41.15 O HETATM 1302 O HOH 99 -20.802 1.392 6.684 1.00 46.84 O HETATM 1303 O HOH 100 -18.580 11.744 0.122 1.00 42.49 O HETATM 1304 O HOH 101 -6.321 6.156 -0.351 1.00 45.05 O HETATM 1305 O HOH 102 -20.979 2.816 -6.543 1.00 49.24 O HETATM 1306 O HOH 103 -17.274 14.339 -6.185 1.00 33.23 O HETATM 1307 O HOH 104 -16.071 -8.359 -7.418 1.00 49.71 O HETATM 1308 O HOH 105 -18.963 -7.765 -1.803 1.00 44.80 O HETATM 1309 O HOH 106 -9.615 -4.384 10.632 1.00 37.07 O HETATM 1310 O HOH 107 -15.380 -8.307 7.313 1.00 34.65 O HETATM 1311 O HOH 108 -11.909 -1.612 5.791 1.00 23.07 O HETATM 1312 O HOH 109 -17.841 -6.064 9.467 1.00 41.03 O HETATM 1313 O HOH 110 -11.822 -9.100 7.996 1.00 45.78 O HETATM 1314 O HOH 111 -9.038 -10.267 9.745 1.00 49.86 O HETATM 1315 O HOH 112 -7.580 -6.334 8.991 1.00 23.92 O HETATM 1316 O HOH 113 -8.257 -19.522 7.164 1.00 33.93 O HETATM 1317 O HOH 114 -8.249 -14.163 7.697 1.00 25.59 O HETATM 1318 O HOH 115 -6.218 -12.836 8.807 1.00 33.61 O HETATM 1319 O HOH 116 -4.120 -9.357 10.954 1.00 27.94 O HETATM 1320 O HOH 117 -2.784 -15.439 7.649 1.00 28.28 O HETATM 1321 O HOH 118 3.123 -15.902 8.709 1.00 33.34 O HETATM 1322 O HOH 119 1.867 -19.102 12.978 1.00 33.88 O HETATM 1323 O HOH 120 -0.667 -11.614 13.293 1.00 30.02 O HETATM 1324 O HOH 121 1.936 -15.017 15.409 1.00 37.84 O HETATM 1325 O HOH 122 -12.182 -0.174 7.886 1.00 27.35 O HETATM 1326 N ALA A 123 -7.658 -1.098 7.871 1.00 0.24 N HETATM 1327 CA ALA A 123 -8.498 -1.712 6.801 1.00 0.06 C HETATM 1328 C ALA A 123 -8.772 -3.178 7.095 1.00 0.23 C HETATM 1329 O ALA A 123 -7.921 -3.881 7.632 1.00 -0.39 O HETATM 1330 N ALA A 123 -9.974 -3.632 6.746 1.00 -0.26 N HETATM 1331 CA ALA A 123 -10.347 -5.026 6.954 1.00 0.13 C HETATM 1332 CB ALA A 123 -11.848 -5.218 6.750 1.00 -0.01 C HETATM 1333 CG ALA A 123 -12.693 -5.170 8.013 1.00 -0.02 C HETATM 1334 CD ALA A 123 -14.010 -4.456 7.738 1.00 0.06 C HETATM 1335 NE ALA A 123 -14.935 -5.247 6.921 1.00 -0.27 N HETATM 1336 CZ ALA A 123 -16.064 -4.874 6.232 1.00 0.29 C HETATM 1337 NH1 ALA A 123 -16.689 -5.854 5.575 1.00 -0.27 N HETATM 1338 CQ1 ALA A 123 -17.927 -5.562 4.794 1.00 0.05 C HETATM 1339 H18 ALA A 123 -18.293 -6.488 4.327 1.00 0.07 H HETATM 1340 H19 ALA A 123 -17.701 -4.822 4.012 1.00 0.07 H HETATM 1341 H20 ALA A 123 -18.699 -5.161 5.467 1.00 0.07 H HETATM 1342 H17 ALA A 123 -16.316 -6.814 5.607 1.00 0.26 H HETATM 1343 NH2 ALA A 123 -16.608 -3.605 6.153 1.00 -0.27 N HETATM 1344 CQ2 ALA A 123 -16.109 -2.394 6.779 1.00 0.05 C HETATM 1345 H22 ALA A 123 -16.767 -1.551 6.522 1.00 0.07 H HETATM 1346 H23 ALA A 123 -15.091 -2.188 6.418 1.00 0.07 H HETATM 1347 H24 ALA A 123 -16.091 -2.526 7.871 1.00 0.07 H HETATM 1348 H21 ALA A 123 -17.463 -3.508 5.587 1.00 0.26 H HETATM 1349 H16 ALA A 123 -14.700 -6.247 6.852 1.00 0.26 H HETATM 1350 H14 ALA A 123 -13.794 -3.515 7.210 1.00 0.07 H HETATM 1351 H15 ALA A 123 -14.495 -4.234 8.700 1.00 0.07 H HETATM 1352 H12 ALA A 123 -12.143 -4.629 8.797 1.00 0.03 H HETATM 1353 H13 ALA A 123 -12.900 -6.196 8.351 1.00 0.03 H HETATM 1354 H10 ALA A 123 -12.003 -6.199 6.276 1.00 0.03 H HETATM 1355 H11 ALA A 123 -12.202 -4.425 6.075 1.00 0.03 H HETATM 1356 C ALA A 123 -9.572 -5.888 5.973 1.00 0.20 C HETATM 1357 O ALA A 123 -9.396 -5.509 4.825 1.00 -0.39 O HETATM 1358 N ALA A 123 -9.109 -7.046 6.427 1.00 -0.26 N HETATM 1359 CA ALA A 123 -8.347 -7.935 5.564 1.00 0.16 C HETATM 1360 C ALA A 123 -8.562 -9.401 5.910 1.00 0.21 C HETATM 1361 O ALA A 123 -9.156 -9.725 6.929 1.00 -0.39 O HETATM 1362 N ALA A 123 -8.059 -10.270 5.037 1.00 -0.26 N HETATM 1363 CA ALA A 123 -8.139 -11.716 5.211 1.00 0.13 C HETATM 1364 CB ALA A 123 -9.122 -12.315 4.216 1.00 -0.01 C HETATM 1365 CG ALA A 123 -10.581 -11.944 4.430 1.00 -0.04 C HETATM 1366 CD ALA A 123 -11.382 -12.362 3.208 1.00 -0.01 C HETATM 1367 CE ALA A 123 -12.881 -12.328 3.444 1.00 -0.03 C HETATM 1368 NZ ALA A 123 -13.673 -12.746 2.234 1.00 0.23 N HETATM 1369 CH1 ALA A 123 -13.760 -11.760 1.116 1.00 -0.04 C HETATM 1370 H43 ALA A 123 -14.362 -12.184 0.299 1.00 0.08 H HETATM 1371 H44 ALA A 123 -12.749 -11.534 0.747 1.00 0.08 H HETATM 1372 H45 ALA A 123 -14.234 -10.836 1.478 1.00 0.08 H HETATM 1373 CH2 ALA A 123 -13.358 -14.105 1.673 1.00 -0.04 C HETATM 1374 H46 ALA A 123 -13.293 -14.834 2.494 1.00 0.08 H HETATM 1375 H47 ALA A 123 -12.397 -14.068 1.139 1.00 0.08 H HETATM 1376 H48 ALA A 123 -14.153 -14.407 0.976 1.00 0.08 H HETATM 1377 H42 ALA A 123 -14.615 -12.822 2.584 1.00 0.20 H HETATM 1378 H40 ALA A 123 -13.171 -11.302 3.716 1.00 0.08 H HETATM 1379 H41 ALA A 123 -13.121 -13.009 4.274 1.00 0.08 H HETATM 1380 H38 ALA A 123 -11.093 -13.387 2.933 1.00 0.03 H HETATM 1381 H39 ALA A 123 -11.142 -11.679 2.380 1.00 0.03 H HETATM 1382 H36 ALA A 123 -10.668 -10.857 4.574 1.00 0.03 H HETATM 1383 H37 ALA A 123 -10.967 -12.463 5.319 1.00 0.03 H HETATM 1384 H34 ALA A 123 -9.039 -13.410 4.276 1.00 0.03 H HETATM 1385 H35 ALA A 123 -8.832 -11.979 3.209 1.00 0.03 H HETATM 1386 C ALA A 123 -6.765 -12.342 4.970 1.00 0.20 C HETATM 1387 O ALA A 123 -6.028 -11.918 4.094 1.00 -0.39 O HETATM 1388 N ALA A 123 -6.443 -13.367 5.747 1.00 -0.26 N HETATM 1389 CA ALA A 123 -5.174 -14.068 5.613 1.00 0.13 C HETATM 1390 C ALA A 123 -3.963 -13.164 5.820 1.00 0.20 C HETATM 1391 O ALA A 123 -2.970 -13.287 5.115 1.00 -0.39 O HETATM 1392 N ALA A 123 -4.048 -12.252 6.781 1.00 -0.26 N HETATM 1393 CA ALA A 123 -2.923 -11.373 7.068 1.00 0.16 C HETATM 1394 C ALA A 123 -2.400 -11.652 8.472 1.00 0.21 C HETATM 1395 O ALA A 123 -1.535 -10.947 8.966 1.00 -0.39 O HETATM 1396 N ALA A 123 -2.936 -12.691 9.104 1.00 -0.26 N HETATM 1397 CA ALA A 123 -2.518 -13.067 10.452 1.00 0.13 C HETATM 1398 C ALA A 123 -1.256 -13.913 10.379 1.00 0.20 C HETATM 1399 O ALA A 123 -1.263 -14.989 9.802 1.00 -0.39 O HETATM 1400 N ALA A 123 -0.177 -13.418 10.976 1.00 -0.27 N HETATM 1401 CA ALA A 123 1.101 -14.122 10.963 1.00 0.09 C HETATM 1402 C ALA A 123 0.931 -15.626 11.156 1.00 0.06 C HETATM 1403 O ALA A 123 0.033 -16.031 11.926 1.00 -0.57 O HETATM 1404 OXT ALA A 123 1.709 -16.386 10.542 1.00 -0.57 O HETATM 1405 CB ALA A 123 2.018 -13.554 12.048 1.00 -0.03 C HETATM 1406 H71 ALA A 123 2.979 -14.089 12.033 1.00 0.03 H HETATM 1407 H72 ALA A 123 1.544 -13.681 13.032 1.00 0.03 H HETATM 1408 H73 ALA A 123 2.191 -12.484 11.859 1.00 0.03 H HETATM 1409 H70 ALA A 123 1.573 -13.955 9.984 1.00 0.07 H HETATM 1410 H69 ALA A 123 -0.243 -12.539 11.447 1.00 0.19 H HETATM 1411 CB ALA A 123 -3.626 -13.844 11.142 1.00 -0.02 C HETATM 1412 H66 ALA A 123 -3.302 -14.123 12.156 1.00 0.03 H HETATM 1413 H67 ALA A 123 -3.850 -14.754 10.566 1.00 0.03 H HETATM 1414 H68 ALA A 123 -4.529 -13.218 11.204 1.00 0.03 H HETATM 1415 H65 ALA A 123 -2.307 -12.155 11.030 1.00 0.08 H HETATM 1416 H64 ALA A 123 -3.643 -13.229 8.645 1.00 0.19 H HETATM 1417 CB ALA A 123 -3.309 -9.886 6.970 1.00 0.09 C HETATM 1418 OG1 ALA A 123 -4.455 -9.640 7.784 1.00 -0.39 O HETATM 1419 H60 ALA A 123 -4.694 -8.722 7.724 1.00 0.21 H HETATM 1420 CG2 ALA A 123 -3.613 -9.504 5.532 1.00 -0.03 C HETATM 1421 H61 ALA A 123 -3.886 -8.439 5.485 1.00 0.03 H HETATM 1422 H62 ALA A 123 -4.449 -10.114 5.160 1.00 0.03 H HETATM 1423 H63 ALA A 123 -2.724 -9.682 4.909 1.00 0.03 H HETATM 1424 H59 ALA A 123 -2.470 -9.274 7.332 1.00 0.06 H HETATM 1425 H58 ALA A 123 -2.126 -11.578 6.339 1.00 0.08 H HETATM 1426 H57 ALA A 123 -4.891 -12.168 7.312 1.00 0.19 H HETATM 1427 CB ALA A 123 -5.073 -14.732 4.234 1.00 0.00 C HETATM 1428 CG ALA A 123 -6.213 -15.687 3.910 1.00 0.04 C HETATM 1429 CD ALA A 123 -6.401 -16.743 4.982 1.00 0.17 C HETATM 1430 OE1 ALA A 123 -5.437 -17.328 5.466 1.00 -0.40 O HETATM 1431 NE2 ALA A 123 -7.652 -16.997 5.349 1.00 -0.30 N HETATM 1432 H55 ALA A 123 -7.837 -17.684 6.052 1.00 0.18 H HETATM 1433 H56 ALA A 123 -8.409 -16.502 4.922 1.00 0.18 H HETATM 1434 H53 ALA A 123 -5.995 -16.187 2.955 1.00 0.05 H HETATM 1435 H54 ALA A 123 -7.144 -15.108 3.817 1.00 0.05 H HETATM 1436 H51 ALA A 123 -4.130 -15.296 4.192 1.00 0.03 H HETATM 1437 H52 ALA A 123 -5.061 -13.940 3.471 1.00 0.03 H HETATM 1438 H50 ALA A 123 -5.144 -14.854 6.382 1.00 0.08 H HETATM 1439 H49 ALA A 123 -7.091 -13.668 6.446 1.00 0.19 H HETATM 1440 H33 ALA A 123 -8.472 -11.940 6.235 1.00 0.08 H HETATM 1441 H32 ALA A 123 -7.604 -9.914 4.221 1.00 0.19 H HETATM 1442 CB ALA A 123 -6.829 -7.657 5.665 1.00 0.09 C HETATM 1443 OG1 ALA A 123 -6.396 -7.884 7.013 1.00 -0.39 O HETATM 1444 H28 ALA A 123 -6.867 -7.302 7.598 1.00 0.21 H HETATM 1445 CG2 ALA A 123 -6.509 -6.218 5.252 1.00 -0.03 C HETATM 1446 H29 ALA A 123 -5.426 -6.046 5.332 1.00 0.03 H HETATM 1447 H30 ALA A 123 -7.041 -5.519 5.914 1.00 0.03 H HETATM 1448 H31 ALA A 123 -6.830 -6.055 4.213 1.00 0.03 H HETATM 1449 H27 ALA A 123 -6.295 -8.346 4.994 1.00 0.06 H HETATM 1450 H26 ALA A 123 -8.674 -7.764 4.528 1.00 0.08 H HETATM 1451 H25 ALA A 123 -9.286 -7.311 7.375 1.00 0.19 H HETATM 1452 H9 ALA A 123 -10.086 -5.321 7.981 1.00 0.08 H HETATM 1453 H8 ALA A 123 -10.634 -3.004 6.333 1.00 0.19 H HETATM 1454 CB ALA A 123 -7.803 -1.577 5.448 1.00 -0.00 C HETATM 1455 H5 ALA A 123 -8.430 -2.032 4.667 1.00 0.03 H HETATM 1456 H6 ALA A 123 -6.830 -2.090 5.483 1.00 0.03 H HETATM 1457 H7 ALA A 123 -7.649 -0.512 5.220 1.00 0.03 H HETATM 1458 H4 ALA A 123 -9.458 -1.177 6.761 1.00 0.11 H HETATM 1459 H1 ALA A 123 -7.491 -0.128 7.652 1.00 0.20 H HETATM 1460 H2 ALA A 123 -6.778 -1.585 7.928 1.00 0.20 H HETATM 1461 H3 ALA A 123 -8.138 -1.165 8.755 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 151 150 155 1204 CONECT 201 200 205 1204 CONECT 570 569 574 1205 CONECT 638 636 637 1205 CONECT 691 690 693 1204 CONECT 733 732 737 1204 CONECT 1055 1054 1059 1205 CONECT 1096 1095 1098 1205 CONECT 1204 151 201 691 733 CONECT 1205 570 638 1055 1096 CONECT 1326 1327 1459 1460 1461 CONECT 1327 1326 1328 1454 1458 CONECT 1328 1327 1329 1330 CONECT 1329 1328 CONECT 1330 1328 1331 1453 CONECT 1331 1330 1332 1356 1452 CONECT 1332 1331 1333 1354 1355 CONECT 1333 1332 1334 1352 1353 CONECT 1334 1333 1335 1350 1351 CONECT 1335 1334 1336 1349 CONECT 1336 1335 1337 1343 CONECT 1337 1336 1338 1342 CONECT 1338 1337 1339 1340 1341 CONECT 1339 1338 CONECT 1340 1338 CONECT 1341 1338 CONECT 1342 1337 CONECT 1343 1336 1344 1348 CONECT 1344 1343 1345 1346 1347 CONECT 1345 1344 CONECT 1346 1344 CONECT 1347 1344 CONECT 1348 1343 CONECT 1349 1335 CONECT 1350 1334 CONECT 1351 1334 CONECT 1352 1333 CONECT 1353 1333 CONECT 1354 1332 CONECT 1355 1332 CONECT 1356 1331 1357 1358 CONECT 1357 1356 CONECT 1358 1356 1359 1451 CONECT 1359 1358 1360 1442 1450 CONECT 1360 1359 1361 1362 CONECT 1361 1360 CONECT 1362 1360 1363 1441 CONECT 1363 1362 1364 1386 1440 CONECT 1364 1363 1365 1384 1385 CONECT 1365 1364 1366 1382 1383 CONECT 1366 1365 1367 1380 1381 CONECT 1367 1366 1368 1378 1379 CONECT 1368 1367 1369 1373 1377 CONECT 1369 1368 1370 1371 1372 CONECT 1370 1369 CONECT 1371 1369 CONECT 1372 1369 CONECT 1373 1368 1374 1375 1376 CONECT 1374 1373 CONECT 1375 1373 CONECT 1376 1373 CONECT 1377 1368 CONECT 1378 1367 CONECT 1379 1367 CONECT 1380 1366 CONECT 1381 1366 CONECT 1382 1365 CONECT 1383 1365 CONECT 1384 1364 CONECT 1385 1364 CONECT 1386 1363 1387 1388 CONECT 1387 1386 CONECT 1388 1386 1389 1439 CONECT 1389 1388 1390 1427 1438 CONECT 1390 1389 1391 1392 CONECT 1391 1390 CONECT 1392 1390 1393 1426 CONECT 1393 1392 1394 1417 1425 CONECT 1394 1393 1395 1396 CONECT 1395 1394 CONECT 1396 1394 1397 1416 CONECT 1397 1396 1398 1411 1415 CONECT 1398 1397 1399 1400 CONECT 1399 1398 CONECT 1400 1398 1401 1410 CONECT 1401 1400 1402 1405 1409 CONECT 1402 1401 1403 1404 CONECT 1403 1402 CONECT 1404 1402 CONECT 1405 1401 1406 1407 1408 CONECT 1406 1405 CONECT 1407 1405 CONECT 1408 1405 CONECT 1409 1401 CONECT 1410 1400 CONECT 1411 1397 1412 1413 1414 CONECT 1412 1411 CONECT 1413 1411 CONECT 1414 1411 CONECT 1415 1397 CONECT 1416 1396 CONECT 1417 1393 1418 1420 1424 CONECT 1418 1417 1419 CONECT 1419 1418 CONECT 1420 1417 1421 1422 1423 CONECT 1421 1420 CONECT 1422 1420 CONECT 1423 1420 CONECT 1424 1417 CONECT 1425 1393 CONECT 1426 1392 CONECT 1427 1389 1428 1436 1437 CONECT 1428 1427 1429 1434 1435 CONECT 1429 1428 1430 1431 CONECT 1430 1429 CONECT 1431 1429 1432 1433 CONECT 1432 1431 CONECT 1433 1431 CONECT 1434 1428 CONECT 1435 1428 CONECT 1436 1427 CONECT 1437 1427 CONECT 1438 1389 CONECT 1439 1388 CONECT 1440 1363 CONECT 1441 1362 CONECT 1442 1359 1443 1445 1449 CONECT 1443 1442 1444 CONECT 1444 1443 CONECT 1445 1442 1446 1447 1448 CONECT 1446 1445 CONECT 1447 1445 CONECT 1448 1445 CONECT 1449 1442 CONECT 1450 1359 CONECT 1451 1358 CONECT 1452 1331 CONECT 1453 1330 CONECT 1454 1327 1455 1456 1457 CONECT 1455 1454 CONECT 1456 1454 CONECT 1457 1454 CONECT 1458 1327 CONECT 1459 1326 CONECT 1460 1326 CONECT 1461 1326 MASTER 0 0 0 0 0 0 0 0 1460 1 150 6 END
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Related entries of code: 2v88
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2v83
RCSB PDB
PDBbind
82aa, >2V83_1|Chains... *
2v86
RCSB PDB
PDBbind
82aa, >2V86_1|Chains... at 100%
2v87
RCSB PDB
PDBbind
82aa, >2V87_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
2v88
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
VDJ RECOMBINATION-ACTIVATING PROTEIN 2
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=82.1uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
Proc.Natl.Acad.Sci.USA 104: 18993
Ligand Properties
Formula
C
3
8
H
7
4
N
1
3
O
1
2
Molecular Weight
905.074
Exact Mass
904.558
No. of atoms
137
No. of bonds
136
Polar Surface Area
394.66
LOGP Value
-6.27 (
Computed with XLOGP3
)
-5.65 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 37
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 0
Canonical SMILES
CNC(=[NH+]CCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)[C@H](O)C)CCC(=O)N)CCCC[NH+](C)C)[C@H](O)C)NC(=O)[C@@H]([NH3+])C)NC
InChI String
InChI=1S/C38H71N13O12/c1-19(39)30(55)46-25(14-12-17-43-38(41-6)42-7)33(58)50-29(23(5)53)36(61)48-24(13-10-11-18-51(8)9)32(57)47-26(15-16-27(40)54)34(59)49-28(22(4)52)35(60)44-20(2)31(56)45-21(3)37(62)63/h19-26,28-29,52-53H,10-18,39H2,1-9H3,(H2,40,54)(H,44,60)(H,45,56)(H,46,55)(H,47,57)(H,48,61)(H,49,59)(H,50,58)(H,62,63)(H2,41,42,43)/p+3/t19-,20-,21-,22+,23+,24-,25-,26-,28-,29-/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):
P21784
P84228
Entrez Gene ID
NCBI Entrez Gene ID:
19374
15077
260423
319148
319149
319150
319151
319154
97114
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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