Browse entries in the PDBbind-CN Database
HEADER 2V87_COMPLEX COMPND 2V87_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 197 151 ATOM 1 N SER A 410 20.549 2.651 -34.571 1.00 44.49 N ATOM 2 CA SER A 410 20.685 2.274 -33.136 1.00 43.95 C ATOM 3 C SER A 410 19.352 1.787 -32.571 1.00 44.90 C ATOM 4 O SER A 410 19.269 1.460 -31.388 1.00 45.73 O ATOM 5 CB SER A 410 21.173 3.478 -32.339 1.00 42.74 C ATOM 6 HA SER A 410 21.407 1.461 -33.057 1.00 0.00 H ATOM 7 HB2 SER A 410 22.141 3.799 -32.724 1.00 0.00 H ATOM 8 HB3 SER A 410 20.454 4.291 -32.435 1.00 0.00 H ATOM 9 HN3 SER A 410 19.848 3.414 -34.663 1.00 0.00 H ATOM 10 HN2 SER A 410 20.236 1.823 -35.117 1.00 0.00 H ATOM 11 HN1 SER A 410 21.468 2.978 -34.931 1.00 0.00 H ATOM 12 N PRO A 411 18.304 1.700 -33.423 1.00 42.97 N ATOM 13 CA PRO A 411 16.986 1.269 -33.014 1.00 43.95 C ATOM 14 C PRO A 411 16.433 1.567 -31.653 1.00 43.08 C ATOM 15 O PRO A 411 15.377 2.148 -31.625 1.00 44.33 O ATOM 16 CB PRO A 411 16.950 -0.125 -33.549 1.00 43.36 C ATOM 17 CG PRO A 411 17.281 0.332 -35.068 1.00 43.69 C ATOM 18 CD PRO A 411 18.348 1.492 -34.880 1.00 43.44 C ATOM 19 HA PRO A 411 16.210 1.922 -33.413 1.00 0.00 H ATOM 20 HD3 PRO A 411 19.339 1.178 -35.208 1.00 0.00 H ATOM 21 HD2 PRO A 411 18.056 2.393 -35.420 1.00 0.00 H ATOM 22 HG3 PRO A 411 16.386 0.702 -35.568 1.00 0.00 H ATOM 23 HG2 PRO A 411 17.700 -0.495 -35.642 1.00 0.00 H ATOM 24 HB2 PRO A 411 17.715 -0.771 -33.118 1.00 0.00 H ATOM 25 HB3 PRO A 411 15.974 -0.600 -33.446 1.00 0.00 H ATOM 26 N GLU A 412 17.013 1.240 -30.539 1.00 40.59 N ATOM 27 CA GLU A 412 16.408 1.798 -29.454 1.00 38.83 C ATOM 28 C GLU A 412 17.116 2.709 -28.523 1.00 37.68 C ATOM 29 O GLU A 412 16.589 3.402 -27.756 1.00 34.77 O ATOM 30 CB GLU A 412 15.656 0.799 -28.899 1.00 41.19 C ATOM 31 CG GLU A 412 15.987 0.229 -27.718 1.00 42.02 C ATOM 32 CD GLU A 412 14.926 -0.797 -27.589 1.00 44.37 C ATOM 33 OE1 GLU A 412 14.986 -1.608 -26.795 1.00 46.75 O ATOM 34 OE2 GLU A 412 14.049 -0.759 -28.310 1.00 44.19 O ATOM 35 HA GLU A 412 15.817 2.633 -29.830 1.00 0.00 H ATOM 36 HB2 GLU A 412 14.653 1.205 -28.772 1.00 0.00 H ATOM 37 HB3 GLU A 412 15.630 -0.008 -29.632 1.00 0.00 H ATOM 38 HG2 GLU A 412 16.978 -0.223 -27.756 1.00 0.00 H ATOM 39 HG3 GLU A 412 15.948 0.950 -26.901 1.00 0.00 H ATOM 40 H GLU A 412 17.847 0.621 -30.481 1.00 0.00 H ATOM 41 N PHE A 413 18.387 2.721 -28.815 1.00 37.06 N ATOM 42 CA PHE A 413 19.278 3.558 -28.059 1.00 36.92 C ATOM 43 C PHE A 413 18.838 5.009 -28.282 1.00 34.49 C ATOM 44 O PHE A 413 18.735 5.472 -29.418 1.00 35.14 O ATOM 45 CB PHE A 413 20.703 3.384 -28.541 1.00 39.29 C ATOM 46 CG PHE A 413 21.618 4.394 -27.974 1.00 42.28 C ATOM 47 CD1 PHE A 413 21.822 4.446 -26.601 1.00 43.94 C ATOM 48 CD2 PHE A 413 22.183 5.369 -28.782 1.00 42.21 C ATOM 49 CE1 PHE A 413 22.563 5.463 -26.035 1.00 44.45 C ATOM 50 CE2 PHE A 413 22.927 6.395 -28.228 1.00 43.19 C ATOM 51 CZ PHE A 413 23.119 6.445 -26.849 1.00 44.71 C ATOM 52 HA PHE A 413 19.242 3.292 -27.003 1.00 0.00 H ATOM 53 HB2 PHE A 413 21.052 2.393 -28.251 1.00 0.00 H ATOM 54 HB3 PHE A 413 20.718 3.469 -29.628 1.00 0.00 H ATOM 55 HD2 PHE A 413 22.040 5.327 -29.862 1.00 0.00 H ATOM 56 HE2 PHE A 413 23.362 7.162 -28.869 1.00 0.00 H ATOM 57 HZ PHE A 413 23.704 7.252 -26.408 1.00 0.00 H ATOM 58 HE1 PHE A 413 22.712 5.497 -24.956 1.00 0.00 H ATOM 59 HD1 PHE A 413 21.392 3.674 -25.963 1.00 0.00 H ATOM 60 H PHE A 413 18.753 2.130 -29.588 1.00 0.00 H ATOM 61 N GLY A 414 18.582 5.716 -27.188 1.00 30.87 N ATOM 62 CA GLY A 414 18.152 7.097 -27.279 1.00 26.35 C ATOM 63 C GLY A 414 16.704 7.239 -26.859 1.00 23.44 C ATOM 64 O GLY A 414 16.296 8.284 -26.379 1.00 23.22 O ATOM 65 HA3 GLY A 414 18.261 7.438 -28.308 1.00 0.00 H ATOM 66 HA2 GLY A 414 18.775 7.709 -26.627 1.00 0.00 H ATOM 67 H GLY A 414 18.691 5.273 -26.253 1.00 0.00 H ATOM 68 N TYR A 415 15.930 6.173 -27.041 1.00 22.13 N ATOM 69 CA TYR A 415 14.513 6.184 -26.686 1.00 22.15 C ATOM 70 C TYR A 415 14.237 5.992 -25.204 1.00 21.96 C ATOM 71 O TYR A 415 13.253 6.512 -24.681 1.00 22.44 O ATOM 72 CB TYR A 415 13.754 5.091 -27.447 1.00 22.02 C ATOM 73 CG TYR A 415 13.475 5.406 -28.896 1.00 21.23 C ATOM 74 CD1 TYR A 415 14.348 4.998 -29.902 1.00 23.24 C ATOM 75 CD2 TYR A 415 12.328 6.106 -29.263 1.00 20.93 C ATOM 76 CE1 TYR A 415 14.086 5.280 -31.240 1.00 22.45 C ATOM 77 CE2 TYR A 415 12.056 6.392 -30.591 1.00 20.23 C ATOM 78 CZ TYR A 415 12.936 5.977 -31.576 1.00 22.14 C ATOM 79 OH TYR A 415 12.666 6.262 -32.893 1.00 20.61 O ATOM 80 HA TYR A 415 14.168 7.180 -26.963 1.00 0.00 H ATOM 81 HB3 TYR A 415 12.800 4.928 -26.945 1.00 0.00 H ATOM 82 HB2 TYR A 415 14.345 4.176 -27.406 1.00 0.00 H ATOM 83 HD2 TYR A 415 11.632 6.435 -28.491 1.00 0.00 H ATOM 84 HE2 TYR A 415 11.153 6.941 -30.859 1.00 0.00 H ATOM 85 HE1 TYR A 415 14.779 4.956 -32.016 1.00 0.00 H ATOM 86 HD1 TYR A 415 15.251 4.449 -29.637 1.00 0.00 H ATOM 87 HH TYR A 415 13.389 5.898 -33.463 1.00 0.00 H ATOM 88 H TYR A 415 16.344 5.309 -27.446 1.00 0.00 H ATOM 89 N TRP A 416 15.106 5.247 -24.527 1.00 21.21 N ATOM 90 CA TRP A 416 14.896 4.954 -23.117 1.00 21.32 C ATOM 91 C TRP A 416 15.687 5.776 -22.117 1.00 22.59 C ATOM 92 O TRP A 416 16.127 5.275 -21.093 1.00 24.56 O ATOM 93 CB TRP A 416 15.121 3.463 -22.889 1.00 21.40 C ATOM 94 CG TRP A 416 14.297 2.651 -23.830 1.00 21.74 C ATOM 95 CD1 TRP A 416 14.748 1.846 -24.837 1.00 21.86 C ATOM 96 CD2 TRP A 416 12.865 2.609 -23.890 1.00 21.73 C ATOM 97 NE1 TRP A 416 13.684 1.307 -25.524 1.00 22.54 N ATOM 98 CE2 TRP A 416 12.517 1.762 -24.965 1.00 21.60 C ATOM 99 CE3 TRP A 416 11.844 3.212 -23.144 1.00 20.75 C ATOM 100 CZ2 TRP A 416 11.188 1.496 -25.308 1.00 20.79 C ATOM 101 CZ3 TRP A 416 10.523 2.948 -23.484 1.00 19.66 C ATOM 102 CH2 TRP A 416 10.206 2.099 -24.560 1.00 19.91 C ATOM 103 HA TRP A 416 13.867 5.251 -22.914 1.00 0.00 H ATOM 104 HB2 TRP A 416 16.175 3.232 -23.047 1.00 0.00 H ATOM 105 HB3 TRP A 416 14.845 3.213 -21.865 1.00 0.00 H ATOM 106 HE1 TRP A 416 13.754 0.660 -26.335 1.00 0.00 H ATOM 107 HD1 TRP A 416 15.797 1.658 -25.064 1.00 0.00 H ATOM 108 HZ2 TRP A 416 10.940 0.835 -26.138 1.00 0.00 H ATOM 109 HH2 TRP A 416 9.160 1.916 -24.805 1.00 0.00 H ATOM 110 HZ3 TRP A 416 9.719 3.406 -22.908 1.00 0.00 H ATOM 111 HE3 TRP A 416 12.081 3.876 -22.313 1.00 0.00 H ATOM 112 H TRP A 416 15.946 4.869 -25.011 1.00 0.00 H ATOM 113 N ILE A 417 15.843 7.055 -22.424 1.00 23.31 N ATOM 114 CA ILE A 417 16.544 7.984 -21.556 1.00 23.87 C ATOM 115 C ILE A 417 15.521 8.561 -20.584 1.00 25.12 C ATOM 116 O ILE A 417 14.319 8.356 -20.736 1.00 24.17 O ATOM 117 CB ILE A 417 17.102 9.178 -22.353 1.00 24.37 C ATOM 118 CG1 ILE A 417 15.937 9.919 -23.033 1.00 23.43 C ATOM 119 CG2 ILE A 417 18.106 8.704 -23.387 1.00 24.74 C ATOM 120 CD1 ILE A 417 16.296 11.268 -23.614 1.00 26.44 C ATOM 121 HA ILE A 417 17.360 7.455 -21.064 1.00 0.00 H ATOM 122 HB ILE A 417 17.615 9.858 -21.673 1.00 0.00 H ATOM 123 HG12 ILE A 417 15.561 9.291 -23.841 1.00 0.00 H ATOM 124 HG13 ILE A 417 15.151 10.067 -22.293 1.00 0.00 H ATOM 125 HD11 ILE A 417 16.662 11.919 -22.820 1.00 0.00 H ATOM 126 HD12 ILE A 417 17.072 11.142 -24.369 1.00 0.00 H ATOM 127 HD13 ILE A 417 15.412 11.712 -24.071 1.00 0.00 H ATOM 128 HG21 ILE A 417 18.930 8.196 -22.886 1.00 0.00 H ATOM 129 HG22 ILE A 417 17.618 8.015 -24.076 1.00 0.00 H ATOM 130 HG23 ILE A 417 18.489 9.562 -23.940 1.00 0.00 H ATOM 131 H ILE A 417 15.449 7.407 -23.320 1.00 0.00 H ATOM 132 N THR A 418 16.015 9.272 -19.580 1.00 24.18 N ATOM 133 CA THR A 418 15.153 9.959 -18.630 1.00 24.50 C ATOM 134 C THR A 418 15.241 11.363 -19.221 1.00 23.80 C ATOM 135 O THR A 418 16.211 12.074 -18.998 1.00 23.90 O ATOM 136 CB THR A 418 15.742 9.917 -17.204 1.00 24.59 C ATOM 137 OG1 THR A 418 15.735 8.563 -16.730 1.00 23.88 O ATOM 138 CG2 THR A 418 14.924 10.781 -16.261 1.00 26.45 C ATOM 139 HA THR A 418 14.149 9.550 -18.517 1.00 0.00 H ATOM 140 HB THR A 418 16.762 10.300 -17.234 1.00 0.00 H ATOM 141 HG1 THR A 418 16.283 8.001 -17.333 1.00 0.00 H ATOM 142 HG23 THR A 418 14.927 11.811 -16.619 1.00 0.00 H ATOM 143 HG21 THR A 418 13.900 10.410 -16.227 1.00 0.00 H ATOM 144 HG22 THR A 418 15.360 10.740 -15.263 1.00 0.00 H ATOM 145 H THR A 418 17.047 9.341 -19.468 1.00 0.00 H ATOM 146 N CYS A 419 14.227 11.744 -19.995 1.00 23.39 N ATOM 147 CA CYS A 419 14.234 13.025 -20.694 1.00 22.50 C ATOM 148 C CYS A 419 14.106 14.301 -19.881 1.00 23.16 C ATOM 149 O CYS A 419 14.488 15.366 -20.348 1.00 23.99 O ATOM 150 CB CYS A 419 13.165 13.026 -21.795 1.00 20.52 C ATOM 151 SG CYS A 419 11.479 13.337 -21.238 1.00 17.76 S ATOM 152 HA CYS A 419 15.253 13.073 -21.079 1.00 0.00 H ATOM 153 HB2 CYS A 419 13.184 12.051 -22.283 1.00 0.00 H ATOM 154 HB3 CYS A 419 13.428 13.798 -22.518 1.00 0.00 H ATOM 155 HG CYS A 419 10.626 13.310 -22.322 1.00 0.00 H ATOM 156 H CYS A 419 13.408 11.112 -20.104 1.00 0.00 H ATOM 157 N CYS A 420 13.561 14.201 -18.676 1.00 21.02 N ATOM 158 CA CYS A 420 13.399 15.371 -17.826 1.00 20.66 C ATOM 159 C CYS A 420 13.158 14.919 -16.388 1.00 19.83 C ATOM 160 O CYS A 420 12.940 13.750 -16.136 1.00 18.92 O ATOM 161 CB CYS A 420 12.234 16.235 -18.330 1.00 19.82 C ATOM 162 SG CYS A 420 10.605 15.475 -18.199 1.00 18.82 S ATOM 163 HA CYS A 420 14.305 15.976 -17.859 1.00 0.00 H ATOM 164 HB2 CYS A 420 12.415 16.467 -19.379 1.00 0.00 H ATOM 165 HB3 CYS A 420 12.223 17.159 -17.751 1.00 0.00 H ATOM 166 HG CYS A 420 9.652 16.348 -18.682 1.00 0.00 H ATOM 167 H CYS A 420 13.244 13.272 -18.333 1.00 0.00 H ATOM 168 N PRO A 421 13.202 15.851 -15.426 1.00 22.01 N ATOM 169 CA PRO A 421 12.992 15.517 -14.013 1.00 22.41 C ATOM 170 C PRO A 421 11.693 14.781 -13.677 1.00 23.12 C ATOM 171 O PRO A 421 11.615 14.097 -12.667 1.00 25.26 O ATOM 172 CB PRO A 421 13.083 16.877 -13.326 1.00 22.11 C ATOM 173 CG PRO A 421 14.072 17.608 -14.185 1.00 23.42 C ATOM 174 CD PRO A 421 13.574 17.270 -15.571 1.00 22.35 C ATOM 175 HA PRO A 421 13.730 14.788 -13.678 1.00 0.00 H ATOM 176 HD3 PRO A 421 12.712 17.880 -15.842 1.00 0.00 H ATOM 177 HD2 PRO A 421 14.358 17.400 -16.317 1.00 0.00 H ATOM 178 HG3 PRO A 421 15.086 17.242 -14.025 1.00 0.00 H ATOM 179 HG2 PRO A 421 14.042 18.682 -14.002 1.00 0.00 H ATOM 180 HB2 PRO A 421 12.117 17.381 -13.320 1.00 0.00 H ATOM 181 HB3 PRO A 421 13.446 16.779 -12.303 1.00 0.00 H ATOM 182 N THR A 422 10.681 14.917 -14.526 1.00 20.90 N ATOM 183 CA THR A 422 9.402 14.259 -14.276 1.00 20.06 C ATOM 184 C THR A 422 9.082 13.163 -15.293 1.00 20.38 C ATOM 185 O THR A 422 7.961 12.682 -15.354 1.00 18.70 O ATOM 186 CB THR A 422 8.248 15.284 -14.285 1.00 19.75 C ATOM 187 OG1 THR A 422 8.227 15.969 -15.544 1.00 18.65 O ATOM 188 CG2 THR A 422 8.430 16.308 -13.164 1.00 17.70 C ATOM 189 HA THR A 422 9.496 13.795 -13.294 1.00 0.00 H ATOM 190 HB THR A 422 7.309 14.751 -14.131 1.00 0.00 H ATOM 191 HG1 THR A 422 7.487 16.626 -15.549 1.00 0.00 H ATOM 192 HG23 THR A 422 8.447 15.794 -12.203 1.00 0.00 H ATOM 193 HG21 THR A 422 9.370 16.840 -13.309 1.00 0.00 H ATOM 194 HG22 THR A 422 7.602 17.017 -13.184 1.00 0.00 H ATOM 195 H THR A 422 10.801 15.499 -15.379 1.00 0.00 H ATOM 196 N CYS A 423 10.081 12.764 -16.073 1.00 18.95 N ATOM 197 CA CYS A 423 9.901 11.745 -17.108 1.00 17.96 C ATOM 198 C CYS A 423 9.195 10.487 -16.617 1.00 20.36 C ATOM 199 O CYS A 423 9.604 9.885 -15.630 1.00 17.76 O ATOM 200 CB CYS A 423 11.261 11.376 -17.709 1.00 15.19 C ATOM 201 SG CYS A 423 11.205 10.119 -18.997 1.00 17.56 S ATOM 202 HA CYS A 423 9.251 12.185 -17.865 1.00 0.00 H ATOM 203 HB2 CYS A 423 11.899 11.009 -16.905 1.00 0.00 H ATOM 204 HB3 CYS A 423 11.699 12.278 -18.135 1.00 0.00 H ATOM 205 HG CYS A 423 10.418 10.565 -20.039 1.00 0.00 H ATOM 206 H CYS A 423 11.021 13.190 -15.944 1.00 0.00 H ATOM 207 N ASP A 424 8.137 10.105 -17.333 1.00 20.23 N ATOM 208 CA ASP A 424 7.327 8.929 -17.012 1.00 22.57 C ATOM 209 C ASP A 424 7.613 7.741 -17.926 1.00 22.65 C ATOM 210 O ASP A 424 7.118 6.646 -17.689 1.00 23.74 O ATOM 211 CB ASP A 424 5.837 9.266 -17.133 1.00 24.49 C ATOM 212 CG ASP A 424 5.300 10.006 -15.931 1.00 24.23 C ATOM 213 OD1 ASP A 424 4.275 10.705 -16.086 1.00 24.42 O ATOM 214 OD2 ASP A 424 5.885 9.877 -14.835 1.00 25.97 O ATOM 215 HA ASP A 424 7.590 8.651 -15.992 1.00 0.00 H ATOM 216 HB2 ASP A 424 5.692 9.887 -18.017 1.00 0.00 H ATOM 217 HB3 ASP A 424 5.279 8.337 -17.247 1.00 0.00 H ATOM 218 H ASP A 424 7.873 10.673 -18.164 1.00 0.00 H ATOM 219 N VAL A 425 8.391 7.961 -18.979 1.00 21.88 N ATOM 220 CA VAL A 425 8.706 6.884 -19.913 1.00 22.89 C ATOM 221 C VAL A 425 9.764 5.957 -19.333 1.00 24.27 C ATOM 222 O VAL A 425 10.868 6.378 -19.017 1.00 24.54 O ATOM 223 CB VAL A 425 9.185 7.446 -21.272 1.00 23.12 C ATOM 224 CG1 VAL A 425 9.653 6.311 -22.177 1.00 21.31 C ATOM 225 CG2 VAL A 425 8.046 8.199 -21.940 1.00 23.87 C ATOM 226 HA VAL A 425 7.792 6.314 -20.078 1.00 0.00 H ATOM 227 HB VAL A 425 10.020 8.125 -21.101 1.00 0.00 H ATOM 228 HG11 VAL A 425 10.478 5.783 -21.698 1.00 0.00 H ATOM 229 HG12 VAL A 425 8.827 5.620 -22.347 1.00 0.00 H ATOM 230 HG13 VAL A 425 9.987 6.722 -23.130 1.00 0.00 H ATOM 231 HG21 VAL A 425 7.209 7.520 -22.102 1.00 0.00 H ATOM 232 HG22 VAL A 425 7.730 9.021 -21.298 1.00 0.00 H ATOM 233 HG23 VAL A 425 8.386 8.594 -22.897 1.00 0.00 H ATOM 234 H VAL A 425 8.781 8.912 -19.140 1.00 0.00 H ATOM 235 N ASP A 426 9.403 4.686 -19.193 1.00 23.04 N ATOM 236 CA ASP A 426 10.300 3.685 -18.636 1.00 24.07 C ATOM 237 C ASP A 426 10.267 2.437 -19.519 1.00 22.36 C ATOM 238 O ASP A 426 9.203 1.939 -19.858 1.00 19.85 O ATOM 239 CB ASP A 426 9.855 3.359 -17.203 1.00 27.04 C ATOM 240 CG ASP A 426 10.795 2.408 -16.493 1.00 30.02 C ATOM 241 OD1 ASP A 426 10.854 2.468 -15.247 1.00 34.94 O ATOM 242 OD2 ASP A 426 11.460 1.596 -17.165 1.00 32.37 O ATOM 243 HA ASP A 426 11.323 4.060 -18.606 1.00 0.00 H ATOM 244 HB2 ASP A 426 9.806 4.288 -16.635 1.00 0.00 H ATOM 245 HB3 ASP A 426 8.865 2.905 -17.241 1.00 0.00 H ATOM 246 H ASP A 426 8.449 4.398 -19.491 1.00 0.00 H ATOM 247 N ILE A 427 11.442 1.946 -19.893 1.00 20.17 N ATOM 248 CA ILE A 427 11.534 0.771 -20.750 1.00 21.40 C ATOM 249 C ILE A 427 10.799 -0.429 -20.154 1.00 21.68 C ATOM 250 O ILE A 427 10.389 -1.331 -20.878 1.00 22.22 O ATOM 251 CB ILE A 427 13.013 0.388 -21.003 1.00 21.87 C ATOM 252 CG1 ILE A 427 13.101 -0.663 -22.112 1.00 22.83 C ATOM 253 CG2 ILE A 427 13.635 -0.139 -19.718 1.00 24.05 C ATOM 254 CD1 ILE A 427 14.518 -0.944 -22.585 1.00 26.84 C ATOM 255 HA ILE A 427 11.058 1.033 -21.695 1.00 0.00 H ATOM 256 HB ILE A 427 13.564 1.273 -21.322 1.00 0.00 H ATOM 257 HG12 ILE A 427 12.673 -1.593 -21.738 1.00 0.00 H ATOM 258 HG13 ILE A 427 12.518 -0.313 -22.964 1.00 0.00 H ATOM 259 HD11 ILE A 427 14.958 -0.026 -22.974 1.00 0.00 H ATOM 260 HD12 ILE A 427 15.114 -1.308 -21.748 1.00 0.00 H ATOM 261 HD13 ILE A 427 14.494 -1.699 -23.371 1.00 0.00 H ATOM 262 HG21 ILE A 427 13.588 0.633 -18.950 1.00 0.00 H ATOM 263 HG22 ILE A 427 13.086 -1.019 -19.384 1.00 0.00 H ATOM 264 HG23 ILE A 427 14.675 -0.407 -19.903 1.00 0.00 H ATOM 265 H ILE A 427 12.315 2.409 -19.568 1.00 0.00 H ATOM 266 N ASN A 428 10.624 -0.426 -18.835 1.00 21.56 N ATOM 267 CA ASN A 428 9.947 -1.524 -18.146 1.00 23.27 C ATOM 268 C ASN A 428 8.442 -1.340 -17.953 1.00 21.85 C ATOM 269 O ASN A 428 7.782 -2.229 -17.431 1.00 22.15 O ATOM 270 CB ASN A 428 10.580 -1.757 -16.767 1.00 27.40 C ATOM 271 CG ASN A 428 12.038 -2.149 -16.851 1.00 29.88 C ATOM 272 OD1 ASN A 428 12.394 -3.110 -17.522 1.00 33.71 O ATOM 273 ND2 ASN A 428 12.890 -1.404 -16.157 1.00 33.45 N ATOM 274 HA ASN A 428 10.077 -2.382 -18.806 1.00 0.00 H ATOM 275 HB2 ASN A 428 10.499 -0.838 -16.186 1.00 0.00 H ATOM 276 HB3 ASN A 428 10.033 -2.554 -16.262 1.00 0.00 H ATOM 277 HD22 ASN A 428 12.542 -0.597 -15.601 1.00 0.00 H ATOM 278 HD21 ASN A 428 13.906 -1.627 -16.169 1.00 0.00 H ATOM 279 H ASN A 428 10.978 0.379 -18.279 1.00 0.00 H ATOM 280 N THR A 429 7.896 -0.203 -18.374 1.00 20.33 N ATOM 281 CA THR A 429 6.464 0.041 -18.186 1.00 19.66 C ATOM 282 C THR A 429 5.735 0.710 -19.348 1.00 18.84 C ATOM 283 O THR A 429 4.508 0.720 -19.389 1.00 19.11 O ATOM 284 CB THR A 429 6.212 0.939 -16.955 1.00 19.75 C ATOM 285 OG1 THR A 429 6.749 2.246 -17.206 1.00 19.25 O ATOM 286 CG2 THR A 429 6.867 0.354 -15.707 1.00 20.46 C ATOM 287 HA THR A 429 6.066 -0.968 -18.076 1.00 0.00 H ATOM 288 HB THR A 429 5.137 0.999 -16.784 1.00 0.00 H ATOM 289 HG1 THR A 429 6.305 2.637 -18.000 1.00 0.00 H ATOM 290 HG23 THR A 429 6.460 -0.639 -15.516 1.00 0.00 H ATOM 291 HG21 THR A 429 7.943 0.283 -15.863 1.00 0.00 H ATOM 292 HG22 THR A 429 6.664 1.002 -14.854 1.00 0.00 H ATOM 293 H THR A 429 8.488 0.515 -18.838 1.00 0.00 H ATOM 294 N TRP A 430 6.489 1.276 -20.283 1.00 18.55 N ATOM 295 CA TRP A 430 5.903 2.003 -21.406 1.00 17.20 C ATOM 296 C TRP A 430 4.869 1.272 -22.264 1.00 16.84 C ATOM 297 O TRP A 430 4.989 0.087 -22.540 1.00 16.75 O ATOM 298 CB TRP A 430 7.019 2.539 -22.311 1.00 16.43 C ATOM 299 CG TRP A 430 6.513 3.414 -23.415 1.00 13.46 C ATOM 300 CD1 TRP A 430 6.282 4.761 -23.358 1.00 15.05 C ATOM 301 CD2 TRP A 430 6.107 2.991 -24.719 1.00 13.82 C ATOM 302 NE1 TRP A 430 5.753 5.201 -24.548 1.00 15.62 N ATOM 303 CE2 TRP A 430 5.633 4.135 -25.401 1.00 14.52 C ATOM 304 CE3 TRP A 430 6.089 1.752 -25.377 1.00 12.62 C ATOM 305 CZ2 TRP A 430 5.152 4.080 -26.712 1.00 14.51 C ATOM 306 CZ3 TRP A 430 5.608 1.695 -26.682 1.00 14.25 C ATOM 307 CH2 TRP A 430 5.144 2.853 -27.335 1.00 15.26 C ATOM 308 HA TRP A 430 5.330 2.795 -20.923 1.00 0.00 H ATOM 309 HB2 TRP A 430 7.713 3.117 -21.701 1.00 0.00 H ATOM 310 HB3 TRP A 430 7.544 1.692 -22.753 1.00 0.00 H ATOM 311 HE1 TRP A 430 5.487 6.183 -24.766 1.00 0.00 H ATOM 312 HD1 TRP A 430 6.488 5.394 -22.494 1.00 0.00 H ATOM 313 HZ2 TRP A 430 4.797 4.975 -27.222 1.00 0.00 H ATOM 314 HH2 TRP A 430 4.770 2.776 -28.356 1.00 0.00 H ATOM 315 HZ3 TRP A 430 5.590 0.740 -27.206 1.00 0.00 H ATOM 316 HE3 TRP A 430 6.445 0.852 -24.876 1.00 0.00 H ATOM 317 H TRP A 430 7.524 1.200 -20.214 1.00 0.00 H ATOM 318 N VAL A 431 3.849 2.021 -22.677 1.00 18.40 N ATOM 319 CA VAL A 431 2.779 1.525 -23.537 1.00 17.34 C ATOM 320 C VAL A 431 2.443 2.660 -24.503 1.00 17.18 C ATOM 321 O VAL A 431 2.640 3.831 -24.183 1.00 18.50 O ATOM 322 CB VAL A 431 1.499 1.155 -22.741 1.00 18.04 C ATOM 323 CG1 VAL A 431 1.813 0.085 -21.713 1.00 18.30 C ATOM 324 CG2 VAL A 431 0.914 2.388 -22.067 1.00 20.65 C ATOM 325 HA VAL A 431 3.114 0.618 -24.041 1.00 0.00 H ATOM 326 HB VAL A 431 0.758 0.762 -23.437 1.00 0.00 H ATOM 327 HG11 VAL A 431 2.189 -0.804 -22.219 1.00 0.00 H ATOM 328 HG12 VAL A 431 2.569 0.458 -21.022 1.00 0.00 H ATOM 329 HG13 VAL A 431 0.906 -0.165 -21.162 1.00 0.00 H ATOM 330 HG21 VAL A 431 1.649 2.808 -21.381 1.00 0.00 H ATOM 331 HG22 VAL A 431 0.658 3.128 -22.825 1.00 0.00 H ATOM 332 HG23 VAL A 431 0.017 2.107 -21.514 1.00 0.00 H ATOM 333 H VAL A 431 3.812 3.014 -22.370 1.00 0.00 H ATOM 334 N PRO A 432 1.939 2.328 -25.701 1.00 16.47 N ATOM 335 CA PRO A 432 1.599 3.377 -26.666 1.00 15.97 C ATOM 336 C PRO A 432 0.521 4.334 -26.171 1.00 18.47 C ATOM 337 O PRO A 432 -0.413 3.939 -25.481 1.00 18.16 O ATOM 338 CB PRO A 432 1.184 2.587 -27.917 1.00 17.23 C ATOM 339 CG PRO A 432 0.767 1.248 -27.383 1.00 18.36 C ATOM 340 CD PRO A 432 1.759 0.986 -26.282 1.00 15.61 C ATOM 341 HA PRO A 432 2.434 4.052 -26.856 1.00 0.00 H ATOM 342 HD3 PRO A 432 1.359 0.287 -25.547 1.00 0.00 H ATOM 343 HD2 PRO A 432 2.697 0.597 -26.679 1.00 0.00 H ATOM 344 HG3 PRO A 432 0.831 0.482 -28.156 1.00 0.00 H ATOM 345 HG2 PRO A 432 -0.250 1.283 -26.992 1.00 0.00 H ATOM 346 HB2 PRO A 432 0.354 3.076 -28.426 1.00 0.00 H ATOM 347 HB3 PRO A 432 2.022 2.485 -28.606 1.00 0.00 H ATOM 348 N PHE A 433 0.677 5.603 -26.528 1.00 18.92 N ATOM 349 CA PHE A 433 -0.250 6.651 -26.125 1.00 19.67 C ATOM 350 C PHE A 433 -0.770 7.375 -27.367 1.00 18.70 C ATOM 351 O PHE A 433 -1.975 7.501 -27.562 1.00 19.98 O ATOM 352 CB PHE A 433 0.469 7.631 -25.190 1.00 20.97 C ATOM 353 CG PHE A 433 -0.368 8.803 -24.768 1.00 24.48 C ATOM 354 CD1 PHE A 433 -1.497 8.621 -23.977 1.00 27.71 C ATOM 355 CD2 PHE A 433 -0.023 10.092 -25.159 1.00 25.73 C ATOM 356 CE1 PHE A 433 -2.272 9.709 -23.578 1.00 30.79 C ATOM 357 CE2 PHE A 433 -0.789 11.188 -24.766 1.00 29.34 C ATOM 358 CZ PHE A 433 -1.917 10.996 -23.973 1.00 29.79 C ATOM 359 HA PHE A 433 -1.097 6.216 -25.594 1.00 0.00 H ATOM 360 HB2 PHE A 433 0.775 7.089 -24.295 1.00 0.00 H ATOM 361 HB3 PHE A 433 1.353 8.009 -25.704 1.00 0.00 H ATOM 362 HD2 PHE A 433 0.858 10.247 -25.781 1.00 0.00 H ATOM 363 HE2 PHE A 433 -0.506 12.193 -25.079 1.00 0.00 H ATOM 364 HZ PHE A 433 -2.520 11.850 -23.663 1.00 0.00 H ATOM 365 HE1 PHE A 433 -3.155 9.552 -22.958 1.00 0.00 H ATOM 366 HD1 PHE A 433 -1.780 7.616 -23.665 1.00 0.00 H ATOM 367 H PHE A 433 1.494 5.859 -27.119 1.00 0.00 H ATOM 368 N TYR A 434 0.149 7.843 -28.206 1.00 16.78 N ATOM 369 CA TYR A 434 -0.215 8.539 -29.438 1.00 16.76 C ATOM 370 C TYR A 434 -0.610 7.521 -30.508 1.00 18.43 C ATOM 371 O TYR A 434 -0.176 6.376 -30.469 1.00 18.11 O ATOM 372 CB TYR A 434 0.960 9.389 -29.944 1.00 15.08 C ATOM 373 CG TYR A 434 1.371 10.496 -28.992 1.00 16.91 C ATOM 374 CD1 TYR A 434 2.546 10.400 -28.247 1.00 15.59 C ATOM 375 CD2 TYR A 434 0.577 11.632 -28.825 1.00 17.08 C ATOM 376 CE1 TYR A 434 2.920 11.405 -27.359 1.00 16.29 C ATOM 377 CE2 TYR A 434 0.945 12.646 -27.932 1.00 17.64 C ATOM 378 CZ TYR A 434 2.119 12.521 -27.205 1.00 17.96 C ATOM 379 OH TYR A 434 2.500 13.505 -26.314 1.00 17.85 O ATOM 380 HA TYR A 434 -1.059 9.197 -29.230 1.00 0.00 H ATOM 381 HB3 TYR A 434 0.673 9.841 -30.894 1.00 0.00 H ATOM 382 HB2 TYR A 434 1.817 8.733 -30.099 1.00 0.00 H ATOM 383 HD2 TYR A 434 -0.344 11.731 -29.399 1.00 0.00 H ATOM 384 HE2 TYR A 434 0.314 13.526 -27.809 1.00 0.00 H ATOM 385 HE1 TYR A 434 3.843 11.312 -26.786 1.00 0.00 H ATOM 386 HD1 TYR A 434 3.183 9.523 -28.362 1.00 0.00 H ATOM 387 HH TYR A 434 2.613 14.361 -26.798 1.00 0.00 H ATOM 388 H TYR A 434 1.155 7.710 -27.979 1.00 0.00 H ATOM 389 N SER A 435 -1.428 7.945 -31.466 1.00 18.76 N ATOM 390 CA SER A 435 -1.877 7.041 -32.525 1.00 20.19 C ATOM 391 C SER A 435 -0.738 6.604 -33.442 1.00 19.90 C ATOM 392 O SER A 435 -0.870 5.626 -34.173 1.00 20.31 O ATOM 393 CB SER A 435 -2.982 7.704 -33.362 1.00 21.48 C ATOM 394 OG SER A 435 -2.445 8.686 -34.233 1.00 23.65 O ATOM 395 HA SER A 435 -2.267 6.150 -32.033 1.00 0.00 H ATOM 396 HB2 SER A 435 -3.701 8.177 -32.692 1.00 0.00 H ATOM 397 HB3 SER A 435 -3.487 6.941 -33.954 1.00 0.00 H ATOM 398 HG SER A 435 -1.989 9.385 -33.700 1.00 0.00 H ATOM 399 H SER A 435 -1.753 8.933 -31.463 1.00 0.00 H ATOM 400 N THR A 436 0.378 7.330 -33.397 1.00 17.07 N ATOM 401 CA THR A 436 1.538 7.021 -34.231 1.00 19.17 C ATOM 402 C THR A 436 2.521 6.077 -33.541 1.00 19.61 C ATOM 403 O THR A 436 3.492 5.628 -34.148 1.00 21.33 O ATOM 404 CB THR A 436 2.309 8.304 -34.620 1.00 17.73 C ATOM 405 OG1 THR A 436 2.761 8.963 -33.432 1.00 18.28 O ATOM 406 CG2 THR A 436 1.418 9.244 -35.410 1.00 19.88 C ATOM 407 HA THR A 436 1.136 6.533 -35.119 1.00 0.00 H ATOM 408 HB THR A 436 3.161 8.027 -35.240 1.00 0.00 H ATOM 409 HG1 THR A 436 3.359 8.357 -32.927 1.00 0.00 H ATOM 410 HG23 THR A 436 1.074 8.742 -36.314 1.00 0.00 H ATOM 411 HG21 THR A 436 0.559 9.527 -34.801 1.00 0.00 H ATOM 412 HG22 THR A 436 1.983 10.136 -35.680 1.00 0.00 H ATOM 413 H THR A 436 0.425 8.142 -32.748 1.00 0.00 H ATOM 414 N GLU A 437 2.268 5.774 -32.272 1.00 18.65 N ATOM 415 CA GLU A 437 3.140 4.887 -31.521 1.00 18.38 C ATOM 416 C GLU A 437 2.657 3.445 -31.541 1.00 20.40 C ATOM 417 O GLU A 437 1.472 3.163 -31.600 1.00 18.96 O ATOM 418 CB GLU A 437 3.226 5.319 -30.058 1.00 18.12 C ATOM 419 CG GLU A 437 3.810 6.688 -29.827 1.00 15.85 C ATOM 420 CD GLU A 437 3.723 7.085 -28.370 1.00 15.88 C ATOM 421 OE1 GLU A 437 2.660 6.840 -27.756 1.00 16.23 O ATOM 422 OE2 GLU A 437 4.703 7.645 -27.842 1.00 16.71 O ATOM 423 HA GLU A 437 4.115 4.949 -32.005 1.00 0.00 H ATOM 424 HB2 GLU A 437 2.218 5.308 -29.643 1.00 0.00 H ATOM 425 HB3 GLU A 437 3.844 4.594 -29.528 1.00 0.00 H ATOM 426 HG2 GLU A 437 4.856 6.684 -30.132 1.00 0.00 H ATOM 427 HG3 GLU A 437 3.261 7.414 -30.426 1.00 0.00 H ATOM 428 H GLU A 437 1.430 6.179 -31.808 1.00 0.00 H ATOM 429 N LEU A 438 3.618 2.535 -31.488 1.00 20.58 N ATOM 430 CA LEU A 438 3.330 1.103 -31.441 1.00 20.41 C ATOM 431 C LEU A 438 4.242 0.470 -30.404 1.00 18.08 C ATOM 432 O LEU A 438 3.800 0.096 -29.330 1.00 19.24 O ATOM 433 CB LEU A 438 3.553 0.463 -32.808 1.00 22.02 C ATOM 434 CG LEU A 438 3.093 -0.995 -32.939 1.00 24.95 C ATOM 435 CD1 LEU A 438 1.576 -1.074 -32.897 1.00 28.85 C ATOM 436 CD2 LEU A 438 3.611 -1.588 -34.229 1.00 26.94 C ATOM 437 HA LEU A 438 2.286 0.944 -31.169 1.00 0.00 H ATOM 438 HB2 LEU A 438 3.012 1.054 -33.548 1.00 0.00 H ATOM 439 HB3 LEU A 438 4.620 0.499 -33.026 1.00 0.00 H ATOM 440 HG LEU A 438 3.495 -1.566 -32.102 1.00 0.00 H ATOM 441 HD21 LEU A 438 3.226 -1.013 -35.072 1.00 0.00 H ATOM 442 HD22 LEU A 438 4.700 -1.554 -34.231 1.00 0.00 H ATOM 443 HD23 LEU A 438 3.278 -2.623 -34.311 1.00 0.00 H ATOM 444 HD11 LEU A 438 1.219 -0.671 -31.950 1.00 0.00 H ATOM 445 HD12 LEU A 438 1.160 -0.493 -33.720 1.00 0.00 H ATOM 446 HD13 LEU A 438 1.265 -2.114 -32.991 1.00 0.00 H ATOM 447 H LEU A 438 4.609 2.850 -31.480 1.00 0.00 H ATOM 448 N ASN A 439 5.535 0.422 -30.704 1.00 16.49 N ATOM 449 CA ASN A 439 6.494 -0.170 -29.780 1.00 16.56 C ATOM 450 C ASN A 439 7.559 0.770 -29.199 1.00 17.15 C ATOM 451 O ASN A 439 8.374 0.357 -28.377 1.00 16.70 O ATOM 452 CB ASN A 439 7.161 -1.389 -30.436 1.00 17.42 C ATOM 453 CG ASN A 439 6.160 -2.484 -30.764 1.00 15.41 C ATOM 454 OD1 ASN A 439 5.505 -3.013 -29.877 1.00 16.02 O ATOM 455 ND2 ASN A 439 6.029 -2.813 -32.050 1.00 15.27 N ATOM 456 HA ASN A 439 5.897 -0.456 -28.914 1.00 0.00 H ATOM 457 HB2 ASN A 439 7.647 -1.070 -31.358 1.00 0.00 H ATOM 458 HB3 ASN A 439 7.909 -1.790 -29.752 1.00 0.00 H ATOM 459 HD22 ASN A 439 6.608 -2.336 -32.770 1.00 0.00 H ATOM 460 HD21 ASN A 439 5.348 -3.547 -32.332 1.00 0.00 H ATOM 461 H ASN A 439 5.867 0.812 -31.609 1.00 0.00 H ATOM 462 N LYS A 440 7.546 2.034 -29.618 1.00 16.58 N ATOM 463 CA LYS A 440 8.507 3.016 -29.120 1.00 17.63 C ATOM 464 C LYS A 440 7.855 4.367 -28.851 1.00 17.56 C ATOM 465 O LYS A 440 6.950 4.778 -29.563 1.00 16.09 O ATOM 466 CB LYS A 440 9.652 3.203 -30.114 1.00 19.00 C ATOM 467 CG LYS A 440 10.626 2.041 -30.146 1.00 22.43 C ATOM 468 CD LYS A 440 11.750 2.299 -31.130 1.00 26.19 C ATOM 469 CE LYS A 440 12.861 1.276 -30.964 1.00 28.90 C ATOM 470 NZ LYS A 440 12.380 -0.119 -31.129 1.00 29.53 N ATOM 471 HA LYS A 440 8.895 2.627 -28.179 1.00 0.00 H ATOM 472 HB2 LYS A 440 9.227 3.324 -31.110 1.00 0.00 H ATOM 473 HB3 LYS A 440 10.200 4.105 -29.842 1.00 0.00 H ATOM 474 HG2 LYS A 440 11.048 1.902 -29.151 1.00 0.00 H ATOM 475 HG3 LYS A 440 10.093 1.137 -30.442 1.00 0.00 H ATOM 476 HD2 LYS A 440 11.357 2.238 -32.145 1.00 0.00 H ATOM 477 HD3 LYS A 440 12.154 3.296 -30.957 1.00 0.00 H ATOM 478 HE2 LYS A 440 13.289 1.383 -29.967 1.00 0.00 H ATOM 479 HE3 LYS A 440 13.631 1.471 -31.711 1.00 0.00 H ATOM 480 HZ1 LYS A 440 11.650 -0.320 -30.415 1.00 0.00 H ATOM 481 HZ2 LYS A 440 11.977 -0.235 -32.081 1.00 0.00 H ATOM 482 HZ3 LYS A 440 13.177 -0.776 -31.006 1.00 0.00 H ATOM 483 H LYS A 440 6.835 2.330 -30.317 1.00 0.00 H ATOM 484 N PRO A 441 8.324 5.075 -27.811 1.00 16.93 N ATOM 485 CA PRO A 441 7.771 6.386 -27.461 1.00 16.26 C ATOM 486 C PRO A 441 8.086 7.466 -28.488 1.00 17.05 C ATOM 487 O PRO A 441 9.188 7.528 -29.028 1.00 17.04 O ATOM 488 CB PRO A 441 8.413 6.679 -26.107 1.00 16.49 C ATOM 489 CG PRO A 441 9.753 6.028 -26.235 1.00 18.92 C ATOM 490 CD PRO A 441 9.406 4.699 -26.883 1.00 17.74 C ATOM 491 HA PRO A 441 6.681 6.379 -27.432 1.00 0.00 H ATOM 492 HD3 PRO A 441 10.260 4.286 -27.419 1.00 0.00 H ATOM 493 HD2 PRO A 441 9.059 3.977 -26.143 1.00 0.00 H ATOM 494 HG3 PRO A 441 10.217 5.883 -25.259 1.00 0.00 H ATOM 495 HG2 PRO A 441 10.418 6.615 -26.868 1.00 0.00 H ATOM 496 HB2 PRO A 441 8.510 7.752 -25.941 1.00 0.00 H ATOM 497 HB3 PRO A 441 7.837 6.238 -25.294 1.00 0.00 H ATOM 498 N ALA A 442 7.102 8.317 -28.754 1.00 16.41 N ATOM 499 CA ALA A 442 7.289 9.410 -29.689 1.00 16.53 C ATOM 500 C ALA A 442 8.208 10.408 -28.999 1.00 15.92 C ATOM 501 O ALA A 442 8.120 10.610 -27.793 1.00 16.25 O ATOM 502 CB ALA A 442 5.948 10.060 -30.019 1.00 15.71 C ATOM 503 HA ALA A 442 7.719 9.061 -30.628 1.00 0.00 H ATOM 504 HB1 ALA A 442 5.286 9.318 -30.466 1.00 0.00 H ATOM 505 HB2 ALA A 442 5.498 10.446 -29.104 1.00 0.00 H ATOM 506 HB3 ALA A 442 6.105 10.878 -30.722 1.00 0.00 H ATOM 507 H ALA A 442 6.182 8.198 -28.284 1.00 0.00 H ATOM 508 N MET A 443 9.097 11.024 -29.767 1.00 15.87 N ATOM 509 CA MET A 443 10.028 11.981 -29.202 1.00 15.18 C ATOM 510 C MET A 443 10.129 13.230 -30.060 1.00 14.50 C ATOM 511 O MET A 443 9.785 13.222 -31.235 1.00 15.12 O ATOM 512 CB MET A 443 11.412 11.334 -29.048 1.00 15.49 C ATOM 513 CG MET A 443 11.413 10.117 -28.124 1.00 16.04 C ATOM 514 SD MET A 443 13.066 9.499 -27.735 1.00 18.88 S ATOM 515 CE MET A 443 13.542 10.634 -26.432 1.00 17.72 C ATOM 516 HA MET A 443 9.654 12.278 -28.222 1.00 0.00 H ATOM 517 HB2 MET A 443 11.759 11.021 -30.033 1.00 0.00 H ATOM 518 HB3 MET A 443 12.098 12.077 -28.642 1.00 0.00 H ATOM 519 HG2 MET A 443 10.852 9.317 -28.607 1.00 0.00 H ATOM 520 HG3 MET A 443 10.920 10.393 -27.192 1.00 0.00 H ATOM 521 HE1 MET A 443 13.534 11.653 -26.819 1.00 0.00 H ATOM 522 HE2 MET A 443 12.837 10.552 -25.605 1.00 0.00 H ATOM 523 HE3 MET A 443 14.544 10.385 -26.083 1.00 0.00 H ATOM 524 H MET A 443 9.126 10.818 -30.786 1.00 0.00 H ATOM 525 N ILE A 444 10.590 14.310 -29.449 1.00 14.35 N ATOM 526 CA ILE A 444 10.739 15.562 -30.165 1.00 15.86 C ATOM 527 C ILE A 444 12.028 16.233 -29.714 1.00 17.06 C ATOM 528 O ILE A 444 12.408 16.167 -28.548 1.00 16.35 O ATOM 529 CB ILE A 444 9.518 16.486 -29.937 1.00 14.64 C ATOM 530 CG1 ILE A 444 9.682 17.777 -30.746 1.00 15.74 C ATOM 531 CG2 ILE A 444 9.337 16.769 -28.453 1.00 14.82 C ATOM 532 CD1 ILE A 444 8.404 18.583 -30.877 1.00 16.55 C ATOM 533 HA ILE A 444 10.790 15.363 -31.235 1.00 0.00 H ATOM 534 HB ILE A 444 8.615 15.984 -30.286 1.00 0.00 H ATOM 535 HG12 ILE A 444 10.432 18.398 -30.255 1.00 0.00 H ATOM 536 HG13 ILE A 444 10.027 17.515 -31.746 1.00 0.00 H ATOM 537 HD11 ILE A 444 7.646 17.981 -31.377 1.00 0.00 H ATOM 538 HD12 ILE A 444 8.050 18.864 -29.885 1.00 0.00 H ATOM 539 HD13 ILE A 444 8.601 19.481 -31.462 1.00 0.00 H ATOM 540 HG21 ILE A 444 9.177 15.830 -27.922 1.00 0.00 H ATOM 541 HG22 ILE A 444 10.231 17.259 -28.066 1.00 0.00 H ATOM 542 HG23 ILE A 444 8.474 17.420 -28.311 1.00 0.00 H ATOM 543 H ILE A 444 10.849 14.260 -28.443 1.00 0.00 H ATOM 544 N TYR A 445 12.702 16.869 -30.662 1.00 16.70 N ATOM 545 CA TYR A 445 13.968 17.529 -30.388 1.00 17.98 C ATOM 546 C TYR A 445 13.791 18.941 -29.841 1.00 16.14 C ATOM 547 O TYR A 445 13.099 19.756 -30.434 1.00 17.49 O ATOM 548 CB TYR A 445 14.800 17.582 -31.676 1.00 18.87 C ATOM 549 CG TYR A 445 16.253 17.942 -31.471 1.00 20.60 C ATOM 550 CD1 TYR A 445 17.124 17.067 -30.824 1.00 22.50 C ATOM 551 CD2 TYR A 445 16.764 19.152 -31.944 1.00 25.42 C ATOM 552 CE1 TYR A 445 18.471 17.385 -30.655 1.00 25.10 C ATOM 553 CE2 TYR A 445 18.110 19.481 -31.779 1.00 24.74 C ATOM 554 CZ TYR A 445 18.955 18.593 -31.137 1.00 26.88 C ATOM 555 OH TYR A 445 20.290 18.903 -30.992 1.00 29.26 O ATOM 556 HA TYR A 445 14.478 16.948 -29.620 1.00 0.00 H ATOM 557 HB3 TYR A 445 14.355 18.325 -32.338 1.00 0.00 H ATOM 558 HB2 TYR A 445 14.756 16.602 -32.150 1.00 0.00 H ATOM 559 HD2 TYR A 445 16.100 19.852 -32.451 1.00 0.00 H ATOM 560 HE2 TYR A 445 18.493 20.430 -32.153 1.00 0.00 H ATOM 561 HE1 TYR A 445 19.139 16.689 -30.148 1.00 0.00 H ATOM 562 HD1 TYR A 445 16.746 16.118 -30.444 1.00 0.00 H ATOM 563 HH TYR A 445 20.378 19.741 -30.472 1.00 0.00 H ATOM 564 H TYR A 445 12.315 16.897 -31.627 1.00 0.00 H ATOM 565 N CYS A 446 14.422 19.210 -28.702 1.00 16.03 N ATOM 566 CA CYS A 446 14.382 20.531 -28.083 1.00 16.98 C ATOM 567 C CYS A 446 15.630 21.267 -28.573 1.00 17.93 C ATOM 568 O CYS A 446 16.734 20.758 -28.447 1.00 17.09 O ATOM 569 CB CYS A 446 14.419 20.412 -26.557 1.00 15.71 C ATOM 570 SG CYS A 446 14.700 21.986 -25.707 1.00 19.06 S ATOM 571 HA CYS A 446 13.467 21.060 -28.349 1.00 0.00 H ATOM 572 HB2 CYS A 446 15.221 19.726 -26.285 1.00 0.00 H ATOM 573 HB3 CYS A 446 13.465 20.005 -26.221 1.00 0.00 H ATOM 574 HG CYS A 446 14.716 21.774 -24.343 1.00 0.00 H ATOM 575 H CYS A 446 14.962 18.453 -28.236 1.00 0.00 H ATOM 576 N SER A 447 15.448 22.464 -29.118 1.00 19.83 N ATOM 577 CA SER A 447 16.567 23.229 -29.660 1.00 20.75 C ATOM 578 C SER A 447 17.384 24.051 -28.670 1.00 23.33 C ATOM 579 O SER A 447 18.284 24.778 -29.078 1.00 23.49 O ATOM 580 CB SER A 447 16.073 24.146 -30.782 1.00 20.57 C ATOM 581 OG SER A 447 15.601 23.385 -31.875 1.00 21.71 O ATOM 582 HA SER A 447 17.256 22.464 -30.019 1.00 0.00 H ATOM 583 HB2 SER A 447 16.895 24.780 -31.115 1.00 0.00 H ATOM 584 HB3 SER A 447 15.264 24.771 -30.404 1.00 0.00 H ATOM 585 HG SER A 447 14.852 22.810 -31.577 1.00 0.00 H ATOM 586 H SER A 447 14.489 22.865 -29.160 1.00 0.00 H ATOM 587 N HIS A 448 17.083 23.939 -27.380 1.00 23.01 N ATOM 588 CA HIS A 448 17.824 24.696 -26.374 1.00 24.44 C ATOM 589 C HIS A 448 19.296 24.308 -26.321 1.00 25.70 C ATOM 590 O HIS A 448 19.637 23.134 -26.371 1.00 25.19 O ATOM 591 CB HIS A 448 17.226 24.495 -24.984 1.00 27.42 C ATOM 592 CG HIS A 448 18.021 25.149 -23.896 1.00 30.20 C ATOM 593 ND1 HIS A 448 18.024 26.512 -23.695 1.00 31.34 N ATOM 594 CD2 HIS A 448 18.882 24.633 -22.988 1.00 32.35 C ATOM 595 CE1 HIS A 448 18.855 26.808 -22.711 1.00 32.61 C ATOM 596 NE2 HIS A 448 19.389 25.686 -22.265 1.00 33.53 N ATOM 597 HA HIS A 448 17.746 25.742 -26.671 1.00 0.00 H ATOM 598 HB2 HIS A 448 16.219 24.913 -24.976 1.00 0.00 H ATOM 599 HB3 HIS A 448 17.175 23.425 -24.780 1.00 0.00 H ATOM 600 HD2 HIS A 448 19.127 23.579 -22.855 1.00 0.00 H ATOM 601 HE1 HIS A 448 19.064 27.808 -22.332 1.00 0.00 H ATOM 602 H HIS A 448 16.312 23.306 -27.084 1.00 0.00 H ATOM 603 N GLY A 449 20.161 25.311 -26.202 1.00 26.82 N ATOM 604 CA GLY A 449 21.589 25.057 -26.128 1.00 27.17 C ATOM 605 C GLY A 449 22.071 24.182 -27.264 1.00 27.18 C ATOM 606 O GLY A 449 21.833 24.487 -28.425 1.00 28.92 O ATOM 607 HA3 GLY A 449 21.809 24.560 -25.183 1.00 0.00 H ATOM 608 HA2 GLY A 449 22.118 26.009 -26.168 1.00 0.00 H ATOM 609 H GLY A 449 19.811 26.289 -26.161 1.00 0.00 H ATOM 610 N ASP A 450 22.754 23.092 -26.929 1.00 27.39 N ATOM 611 CA ASP A 450 23.255 22.177 -27.946 1.00 28.76 C ATOM 612 C ASP A 450 22.183 21.176 -28.364 1.00 28.46 C ATOM 613 O ASP A 450 22.439 20.275 -29.153 1.00 28.48 O ATOM 614 CB ASP A 450 24.500 21.437 -27.442 1.00 30.69 C ATOM 615 CG ASP A 450 25.704 22.354 -27.302 1.00 34.48 C ATOM 616 OD1 ASP A 450 25.843 23.280 -28.130 1.00 34.35 O ATOM 617 OD2 ASP A 450 26.518 22.144 -26.378 1.00 33.54 O ATOM 618 HA ASP A 450 23.528 22.770 -28.819 1.00 0.00 H ATOM 619 HB2 ASP A 450 24.277 21.000 -26.468 1.00 0.00 H ATOM 620 HB3 ASP A 450 24.745 20.643 -28.148 1.00 0.00 H ATOM 621 H ASP A 450 22.934 22.889 -25.925 1.00 0.00 H ATOM 622 N GLY A 451 20.982 21.343 -27.817 1.00 27.12 N ATOM 623 CA GLY A 451 19.879 20.466 -28.164 1.00 25.09 C ATOM 624 C GLY A 451 19.839 19.132 -27.447 1.00 24.01 C ATOM 625 O GLY A 451 20.854 18.608 -27.025 1.00 22.08 O ATOM 626 HA3 GLY A 451 19.934 20.268 -29.234 1.00 0.00 H ATOM 627 HA2 GLY A 451 18.951 20.993 -27.941 1.00 0.00 H ATOM 628 H GLY A 451 20.832 22.111 -27.132 1.00 0.00 H ATOM 629 N HIS A 452 18.637 18.583 -27.306 1.00 21.55 N ATOM 630 CA HIS A 452 18.469 17.292 -26.650 1.00 18.78 C ATOM 631 C HIS A 452 17.087 16.734 -26.968 1.00 19.42 C ATOM 632 O HIS A 452 16.180 17.474 -27.318 1.00 18.16 O ATOM 633 CB HIS A 452 18.662 17.429 -25.129 1.00 18.37 C ATOM 634 CG HIS A 452 17.604 18.241 -24.448 1.00 19.57 C ATOM 635 ND1 HIS A 452 16.744 17.705 -23.513 1.00 19.78 N ATOM 636 CD2 HIS A 452 17.272 19.549 -24.556 1.00 18.58 C ATOM 637 CE1 HIS A 452 15.929 18.648 -23.076 1.00 20.47 C ATOM 638 NE2 HIS A 452 16.228 19.777 -23.693 1.00 19.08 N ATOM 639 HA HIS A 452 19.225 16.602 -27.024 1.00 0.00 H ATOM 640 HB2 HIS A 452 18.661 16.430 -24.692 1.00 0.00 H ATOM 641 HB3 HIS A 452 19.627 17.903 -24.948 1.00 0.00 H ATOM 642 HD2 HIS A 452 17.745 20.284 -25.207 1.00 0.00 H ATOM 643 HE1 HIS A 452 15.143 18.517 -22.332 1.00 0.00 H ATOM 644 H HIS A 452 17.801 19.083 -27.670 1.00 0.00 H ATOM 645 N TRP A 453 16.940 15.421 -26.849 1.00 17.38 N ATOM 646 CA TRP A 453 15.670 14.768 -27.132 1.00 16.82 C ATOM 647 C TRP A 453 14.813 14.547 -25.889 1.00 16.63 C ATOM 648 O TRP A 453 15.323 14.231 -24.828 1.00 17.52 O ATOM 649 CB TRP A 453 15.919 13.414 -27.804 1.00 15.78 C ATOM 650 CG TRP A 453 16.461 13.502 -29.195 1.00 17.81 C ATOM 651 CD1 TRP A 453 17.776 13.508 -29.570 1.00 18.86 C ATOM 652 CD2 TRP A 453 15.698 13.570 -30.402 1.00 17.01 C ATOM 653 NE1 TRP A 453 17.875 13.565 -30.942 1.00 18.26 N ATOM 654 CE2 TRP A 453 16.613 13.605 -31.477 1.00 18.75 C ATOM 655 CE3 TRP A 453 14.322 13.602 -30.682 1.00 16.72 C ATOM 656 CZ2 TRP A 453 16.202 13.671 -32.813 1.00 19.29 C ATOM 657 CZ3 TRP A 453 13.911 13.668 -32.011 1.00 14.73 C ATOM 658 CH2 TRP A 453 14.851 13.701 -33.059 1.00 19.66 C ATOM 659 HA TRP A 453 15.122 15.440 -27.793 1.00 0.00 H ATOM 660 HB2 TRP A 453 16.632 12.857 -27.195 1.00 0.00 H ATOM 661 HB3 TRP A 453 14.974 12.873 -27.840 1.00 0.00 H ATOM 662 HE1 TRP A 453 18.762 13.576 -31.484 1.00 0.00 H ATOM 663 HD1 TRP A 453 18.622 13.473 -28.883 1.00 0.00 H ATOM 664 HZ2 TRP A 453 16.926 13.698 -33.627 1.00 0.00 H ATOM 665 HH2 TRP A 453 14.498 13.752 -34.089 1.00 0.00 H ATOM 666 HZ3 TRP A 453 12.846 13.694 -32.243 1.00 0.00 H ATOM 667 HE3 TRP A 453 13.590 13.576 -29.875 1.00 0.00 H ATOM 668 H TRP A 453 17.751 14.845 -26.546 1.00 0.00 H ATOM 669 N VAL A 454 13.502 14.718 -26.034 1.00 16.01 N ATOM 670 CA VAL A 454 12.574 14.493 -24.929 1.00 16.25 C ATOM 671 C VAL A 454 11.389 13.697 -25.456 1.00 14.98 C ATOM 672 O VAL A 454 11.116 13.704 -26.652 1.00 14.83 O ATOM 673 CB VAL A 454 12.036 15.817 -24.308 1.00 17.63 C ATOM 674 CG1 VAL A 454 13.175 16.606 -23.689 1.00 16.38 C ATOM 675 CG2 VAL A 454 11.298 16.643 -25.363 1.00 15.00 C ATOM 676 HA VAL A 454 13.116 13.960 -24.148 1.00 0.00 H ATOM 677 HB VAL A 454 11.325 15.573 -23.519 1.00 0.00 H ATOM 678 HG11 VAL A 454 13.646 16.010 -22.907 1.00 0.00 H ATOM 679 HG12 VAL A 454 13.910 16.845 -24.458 1.00 0.00 H ATOM 680 HG13 VAL A 454 12.785 17.528 -23.259 1.00 0.00 H ATOM 681 HG21 VAL A 454 11.982 16.885 -26.177 1.00 0.00 H ATOM 682 HG22 VAL A 454 10.458 16.067 -25.752 1.00 0.00 H ATOM 683 HG23 VAL A 454 10.930 17.563 -24.910 1.00 0.00 H ATOM 684 H VAL A 454 13.129 15.019 -26.957 1.00 0.00 H ATOM 685 N HIS A 455 10.701 12.998 -24.561 1.00 15.11 N ATOM 686 CA HIS A 455 9.531 12.229 -24.955 1.00 15.10 C ATOM 687 C HIS A 455 8.378 13.218 -25.057 1.00 14.97 C ATOM 688 O HIS A 455 8.174 14.030 -24.159 1.00 15.02 O ATOM 689 CB HIS A 455 9.200 11.159 -23.902 1.00 13.96 C ATOM 690 CG HIS A 455 10.312 10.188 -23.652 1.00 15.83 C ATOM 691 ND1 HIS A 455 10.991 10.128 -22.453 1.00 15.90 N ATOM 692 CD2 HIS A 455 10.864 9.239 -24.444 1.00 15.75 C ATOM 693 CE1 HIS A 455 11.913 9.185 -22.519 1.00 16.90 C ATOM 694 NE2 HIS A 455 11.857 8.629 -23.716 1.00 17.33 N ATOM 695 HA HIS A 455 9.710 11.716 -25.900 1.00 0.00 H ATOM 696 HB2 HIS A 455 8.966 11.662 -22.964 1.00 0.00 H ATOM 697 HB3 HIS A 455 8.327 10.601 -24.242 1.00 0.00 H ATOM 698 HD2 HIS A 455 10.575 9.003 -25.468 1.00 0.00 H ATOM 699 HE1 HIS A 455 12.603 8.912 -21.721 1.00 0.00 H ATOM 700 H HIS A 455 11.003 13.000 -23.566 1.00 0.00 H ATOM 701 N ALA A 456 7.635 13.156 -26.155 1.00 15.69 N ATOM 702 CA ALA A 456 6.515 14.067 -26.346 1.00 15.28 C ATOM 703 C ALA A 456 5.478 13.963 -25.227 1.00 15.62 C ATOM 704 O ALA A 456 4.929 14.974 -24.788 1.00 15.37 O ATOM 705 CB ALA A 456 5.858 13.811 -27.697 1.00 14.08 C ATOM 706 HA ALA A 456 6.915 15.080 -26.318 1.00 0.00 H ATOM 707 HB1 ALA A 456 6.588 13.969 -28.491 1.00 0.00 H ATOM 708 HB2 ALA A 456 5.495 12.784 -27.734 1.00 0.00 H ATOM 709 HB3 ALA A 456 5.022 14.498 -27.829 1.00 0.00 H ATOM 710 H ALA A 456 7.855 12.450 -26.886 1.00 0.00 H ATOM 711 N GLN A 457 5.212 12.746 -24.756 1.00 15.77 N ATOM 712 CA GLN A 457 4.220 12.564 -23.701 1.00 15.99 C ATOM 713 C GLN A 457 4.646 13.231 -22.402 1.00 16.64 C ATOM 714 O GLN A 457 3.822 13.754 -21.672 1.00 16.35 O ATOM 715 CB GLN A 457 3.962 11.074 -23.433 1.00 15.97 C ATOM 716 CG GLN A 457 2.668 10.821 -22.644 1.00 19.64 C ATOM 717 CD GLN A 457 2.424 9.348 -22.345 1.00 21.97 C ATOM 718 OE1 GLN A 457 2.977 8.472 -22.995 1.00 20.65 O ATOM 719 NE2 GLN A 457 1.574 9.079 -21.357 1.00 21.74 N ATOM 720 HA GLN A 457 3.303 13.035 -24.055 1.00 0.00 H ATOM 721 HB2 GLN A 457 3.893 10.556 -24.389 1.00 0.00 H ATOM 722 HB3 GLN A 457 4.800 10.673 -22.864 1.00 0.00 H ATOM 723 HG2 GLN A 457 2.727 11.361 -21.699 1.00 0.00 H ATOM 724 HG3 GLN A 457 1.828 11.200 -23.226 1.00 0.00 H ATOM 725 HE22 GLN A 457 1.126 9.856 -20.830 1.00 0.00 H ATOM 726 HE21 GLN A 457 1.357 8.092 -21.112 1.00 0.00 H ATOM 727 H GLN A 457 5.714 11.921 -25.142 1.00 0.00 H ATOM 728 N CYS A 458 5.944 13.208 -22.122 1.00 14.61 N ATOM 729 CA CYS A 458 6.459 13.810 -20.901 1.00 15.04 C ATOM 730 C CYS A 458 6.315 15.329 -20.929 1.00 15.21 C ATOM 731 O CYS A 458 6.406 15.982 -19.895 1.00 16.61 O ATOM 732 CB CYS A 458 7.928 13.416 -20.703 1.00 14.80 C ATOM 733 SG CYS A 458 8.159 11.636 -20.491 1.00 17.42 S ATOM 734 HA CYS A 458 5.872 13.436 -20.062 1.00 0.00 H ATOM 735 HB2 CYS A 458 8.308 13.924 -19.816 1.00 0.00 H ATOM 736 HB3 CYS A 458 8.495 13.739 -21.576 1.00 0.00 H ATOM 737 HG CYS A 458 9.501 11.365 -20.319 1.00 0.00 H ATOM 738 H CYS A 458 6.603 12.753 -22.786 1.00 0.00 H ATOM 739 N MET A 459 6.073 15.875 -22.118 1.00 13.63 N ATOM 740 CA MET A 459 5.904 17.318 -22.294 1.00 15.97 C ATOM 741 C MET A 459 4.424 17.686 -22.296 1.00 16.44 C ATOM 742 O MET A 459 4.070 18.843 -22.454 1.00 17.65 O ATOM 743 CB MET A 459 6.522 17.770 -23.619 1.00 17.45 C ATOM 744 CG MET A 459 8.013 17.495 -23.751 1.00 18.06 C ATOM 745 SD MET A 459 8.979 18.424 -22.558 1.00 19.34 S ATOM 746 CE MET A 459 9.471 17.134 -21.434 1.00 20.82 C ATOM 747 HA MET A 459 6.405 17.817 -21.465 1.00 0.00 H ATOM 748 HB2 MET A 459 6.008 17.252 -24.428 1.00 0.00 H ATOM 749 HB3 MET A 459 6.364 18.844 -23.719 1.00 0.00 H ATOM 750 HG2 MET A 459 8.334 17.771 -24.755 1.00 0.00 H ATOM 751 HG3 MET A 459 8.190 16.431 -23.594 1.00 0.00 H ATOM 752 HE1 MET A 459 8.583 16.669 -21.006 1.00 0.00 H ATOM 753 HE2 MET A 459 10.051 16.385 -21.974 1.00 0.00 H ATOM 754 HE3 MET A 459 10.079 17.561 -20.637 1.00 0.00 H ATOM 755 H MET A 459 6.002 15.255 -22.950 1.00 0.00 H ATOM 756 N ASP A 460 3.567 16.683 -22.129 1.00 15.82 N ATOM 757 CA ASP A 460 2.123 16.896 -22.123 1.00 17.16 C ATOM 758 C ASP A 460 1.641 17.506 -23.437 1.00 16.92 C ATOM 759 O ASP A 460 0.691 18.293 -23.471 1.00 16.39 O ATOM 760 CB ASP A 460 1.715 17.783 -20.942 1.00 19.20 C ATOM 761 CG ASP A 460 2.047 17.151 -19.598 1.00 23.93 C ATOM 762 OD1 ASP A 460 1.550 16.038 -19.315 1.00 29.11 O ATOM 763 OD2 ASP A 460 2.807 17.766 -18.823 1.00 27.04 O ATOM 764 HA ASP A 460 1.646 15.922 -22.013 1.00 0.00 H ATOM 765 HB2 ASP A 460 2.241 18.735 -21.021 1.00 0.00 H ATOM 766 HB3 ASP A 460 0.640 17.958 -20.991 1.00 0.00 H ATOM 767 H ASP A 460 3.936 15.719 -21.999 1.00 0.00 H ATOM 768 N LEU A 461 2.312 17.128 -24.519 1.00 15.50 N ATOM 769 CA LEU A 461 1.965 17.590 -25.856 1.00 15.65 C ATOM 770 C LEU A 461 0.794 16.782 -26.397 1.00 16.35 C ATOM 771 O LEU A 461 0.860 15.557 -26.449 1.00 16.20 O ATOM 772 CB LEU A 461 3.151 17.406 -26.811 1.00 15.70 C ATOM 773 CG LEU A 461 4.254 18.464 -26.841 1.00 17.48 C ATOM 774 CD1 LEU A 461 5.435 17.946 -27.665 1.00 15.98 C ATOM 775 CD2 LEU A 461 3.710 19.754 -27.434 1.00 16.03 C ATOM 776 HA LEU A 461 1.701 18.646 -25.790 1.00 0.00 H ATOM 777 HB2 LEU A 461 3.625 16.459 -26.553 1.00 0.00 H ATOM 778 HB3 LEU A 461 2.742 17.343 -27.819 1.00 0.00 H ATOM 779 HG LEU A 461 4.597 18.667 -25.827 1.00 0.00 H ATOM 780 HD21 LEU A 461 3.360 19.567 -28.449 1.00 0.00 H ATOM 781 HD22 LEU A 461 2.881 20.112 -26.823 1.00 0.00 H ATOM 782 HD23 LEU A 461 4.500 20.505 -27.453 1.00 0.00 H ATOM 783 HD11 LEU A 461 5.819 17.032 -27.212 1.00 0.00 H ATOM 784 HD12 LEU A 461 5.103 17.737 -28.682 1.00 0.00 H ATOM 785 HD13 LEU A 461 6.221 18.701 -27.686 1.00 0.00 H ATOM 786 H LEU A 461 3.116 16.477 -24.407 1.00 0.00 H ATOM 787 N GLU A 462 -0.277 17.462 -26.789 1.00 16.66 N ATOM 788 CA GLU A 462 -1.423 16.769 -27.363 1.00 17.31 C ATOM 789 C GLU A 462 -0.962 16.229 -28.711 1.00 17.46 C ATOM 790 O GLU A 462 -0.022 16.751 -29.300 1.00 14.90 O ATOM 791 CB GLU A 462 -2.600 17.733 -27.535 1.00 18.27 C ATOM 792 CG GLU A 462 -3.313 18.047 -26.226 1.00 20.87 C ATOM 793 CD GLU A 462 -4.281 19.212 -26.337 1.00 21.94 C ATOM 794 OE1 GLU A 462 -4.679 19.563 -27.465 1.00 23.26 O ATOM 795 OE2 GLU A 462 -4.647 19.773 -25.285 1.00 24.36 O ATOM 796 HA GLU A 462 -1.767 15.963 -26.715 1.00 0.00 H ATOM 797 HB2 GLU A 462 -2.226 18.665 -27.959 1.00 0.00 H ATOM 798 HB3 GLU A 462 -3.318 17.285 -28.222 1.00 0.00 H ATOM 799 HG2 GLU A 462 -3.869 17.163 -25.913 1.00 0.00 H ATOM 800 HG3 GLU A 462 -2.564 18.289 -25.472 1.00 0.00 H ATOM 801 H GLU A 462 -0.298 18.497 -26.686 1.00 0.00 H ATOM 802 N GLU A 463 -1.610 15.176 -29.194 1.00 15.40 N ATOM 803 CA GLU A 463 -1.208 14.583 -30.460 1.00 16.10 C ATOM 804 C GLU A 463 -1.166 15.540 -31.650 1.00 16.76 C ATOM 805 O GLU A 463 -0.183 15.574 -32.370 1.00 14.86 O ATOM 806 CB GLU A 463 -2.096 13.383 -30.788 1.00 17.94 C ATOM 807 CG GLU A 463 -1.757 12.734 -32.114 1.00 21.00 C ATOM 808 CD GLU A 463 -2.255 11.309 -32.213 1.00 23.90 C ATOM 809 OE1 GLU A 463 -2.648 10.901 -33.322 1.00 25.68 O ATOM 810 OE2 GLU A 463 -2.241 10.599 -31.188 1.00 21.50 O ATOM 811 HA GLU A 463 -0.174 14.273 -30.306 1.00 0.00 H ATOM 812 HB2 GLU A 463 -1.980 12.640 -29.999 1.00 0.00 H ATOM 813 HB3 GLU A 463 -3.133 13.718 -30.821 1.00 0.00 H ATOM 814 HG2 GLU A 463 -2.211 13.318 -32.914 1.00 0.00 H ATOM 815 HG3 GLU A 463 -0.674 12.734 -32.235 1.00 0.00 H ATOM 816 H GLU A 463 -2.409 14.773 -28.665 1.00 0.00 H ATOM 817 N ARG A 464 -2.212 16.329 -31.862 1.00 17.66 N ATOM 818 CA ARG A 464 -2.181 17.236 -33.006 1.00 19.02 C ATOM 819 C ARG A 464 -1.035 18.240 -32.915 1.00 17.72 C ATOM 820 O ARG A 464 -0.445 18.590 -33.922 1.00 19.09 O ATOM 821 CB ARG A 464 -3.518 17.971 -33.169 1.00 20.55 C ATOM 822 CG ARG A 464 -3.819 18.997 -32.111 1.00 25.18 C ATOM 823 CD ARG A 464 -5.212 19.571 -32.318 1.00 27.76 C ATOM 824 NE ARG A 464 -5.560 20.482 -31.239 1.00 30.61 N ATOM 825 CZ ARG A 464 -6.796 20.869 -30.956 1.00 31.46 C ATOM 826 NH1 ARG A 464 -6.998 21.701 -29.951 1.00 31.29 N ATOM 827 NH2 ARG A 464 -7.823 20.423 -31.668 1.00 30.09 N ATOM 828 HA ARG A 464 -2.011 16.619 -33.888 1.00 0.00 H ATOM 829 HB2 ARG A 464 -3.510 18.475 -34.135 1.00 0.00 H ATOM 830 HB3 ARG A 464 -4.315 17.228 -33.155 1.00 0.00 H ATOM 831 HG2 ARG A 464 -3.765 18.528 -31.128 1.00 0.00 H ATOM 832 HG3 ARG A 464 -3.085 19.801 -32.170 1.00 0.00 H ATOM 833 HD2 ARG A 464 -5.935 18.755 -32.345 1.00 0.00 H ATOM 834 HD3 ARG A 464 -5.240 20.111 -33.265 1.00 0.00 H ATOM 835 HE ARG A 464 -4.788 20.855 -30.650 1.00 0.00 H ATOM 836 HH12 ARG A 464 -7.963 22.012 -29.719 1.00 0.00 H ATOM 837 HH11 ARG A 464 -6.192 22.046 -29.391 1.00 0.00 H ATOM 838 HH22 ARG A 464 -8.789 20.733 -31.438 1.00 0.00 H ATOM 839 HH21 ARG A 464 -7.662 19.764 -32.456 1.00 0.00 H ATOM 840 H ARG A 464 -3.035 16.302 -31.227 1.00 0.00 H ATOM 841 N THR A 465 -0.712 18.696 -31.706 1.00 17.63 N ATOM 842 CA THR A 465 0.387 19.649 -31.549 1.00 15.62 C ATOM 843 C THR A 465 1.687 18.973 -31.983 1.00 15.77 C ATOM 844 O THR A 465 2.480 19.541 -32.727 1.00 15.75 O ATOM 845 CB THR A 465 0.536 20.118 -30.086 1.00 14.35 C ATOM 846 OG1 THR A 465 -0.739 20.547 -29.588 1.00 14.17 O ATOM 847 CG2 THR A 465 1.507 21.292 -30.001 1.00 13.56 C ATOM 848 HA THR A 465 0.170 20.522 -32.164 1.00 0.00 H ATOM 849 HB THR A 465 0.916 19.286 -29.493 1.00 0.00 H ATOM 850 HG1 THR A 465 -0.641 20.847 -28.650 1.00 0.00 H ATOM 851 HG23 THR A 465 2.483 20.983 -30.376 1.00 0.00 H ATOM 852 HG21 THR A 465 1.130 22.118 -30.604 1.00 0.00 H ATOM 853 HG22 THR A 465 1.600 21.611 -28.963 1.00 0.00 H ATOM 854 H THR A 465 -1.242 18.374 -30.871 1.00 0.00 H ATOM 855 N LEU A 466 1.891 17.749 -31.512 1.00 16.06 N ATOM 856 CA LEU A 466 3.086 16.982 -31.849 1.00 15.66 C ATOM 857 C LEU A 466 3.187 16.734 -33.351 1.00 15.87 C ATOM 858 O LEU A 466 4.246 16.901 -33.944 1.00 16.61 O ATOM 859 CB LEU A 466 3.071 15.637 -31.114 1.00 14.31 C ATOM 860 CG LEU A 466 4.146 14.621 -31.513 1.00 14.34 C ATOM 861 CD1 LEU A 466 5.538 15.199 -31.256 1.00 14.86 C ATOM 862 CD2 LEU A 466 3.941 13.337 -30.717 1.00 15.01 C ATOM 863 HA LEU A 466 3.952 17.566 -31.538 1.00 0.00 H ATOM 864 HB2 LEU A 466 3.188 15.841 -30.050 1.00 0.00 H ATOM 865 HB3 LEU A 466 2.099 15.176 -31.289 1.00 0.00 H ATOM 866 HG LEU A 466 4.063 14.398 -32.577 1.00 0.00 H ATOM 867 HD21 LEU A 466 4.020 13.555 -29.652 1.00 0.00 H ATOM 868 HD22 LEU A 466 2.953 12.930 -30.934 1.00 0.00 H ATOM 869 HD23 LEU A 466 4.704 12.611 -30.998 1.00 0.00 H ATOM 870 HD11 LEU A 466 5.667 16.107 -31.845 1.00 0.00 H ATOM 871 HD12 LEU A 466 5.643 15.434 -30.197 1.00 0.00 H ATOM 872 HD13 LEU A 466 6.293 14.467 -31.544 1.00 0.00 H ATOM 873 H LEU A 466 1.179 17.324 -30.885 1.00 0.00 H ATOM 874 N ILE A 467 2.077 16.327 -33.955 1.00 16.26 N ATOM 875 CA ILE A 467 2.045 16.053 -35.385 1.00 17.08 C ATOM 876 C ILE A 467 2.326 17.317 -36.195 1.00 17.67 C ATOM 877 O ILE A 467 3.092 17.285 -37.149 1.00 17.12 O ATOM 878 CB ILE A 467 0.677 15.468 -35.809 1.00 17.82 C ATOM 879 CG1 ILE A 467 0.448 14.124 -35.110 1.00 19.48 C ATOM 880 CG2 ILE A 467 0.620 15.300 -37.324 1.00 18.97 C ATOM 881 CD1 ILE A 467 1.522 13.100 -35.370 1.00 21.39 C ATOM 882 HA ILE A 467 2.825 15.320 -35.589 1.00 0.00 H ATOM 883 HB ILE A 467 -0.113 16.158 -35.511 1.00 0.00 H ATOM 884 HG12 ILE A 467 0.398 14.302 -34.036 1.00 0.00 H ATOM 885 HG13 ILE A 467 -0.503 13.717 -35.454 1.00 0.00 H ATOM 886 HD11 ILE A 467 1.579 12.899 -36.440 1.00 0.00 H ATOM 887 HD12 ILE A 467 2.480 13.483 -35.020 1.00 0.00 H ATOM 888 HD13 ILE A 467 1.281 12.180 -34.838 1.00 0.00 H ATOM 889 HG21 ILE A 467 0.756 16.270 -37.801 1.00 0.00 H ATOM 890 HG22 ILE A 467 1.412 14.622 -37.643 1.00 0.00 H ATOM 891 HG23 ILE A 467 -0.349 14.888 -37.606 1.00 0.00 H ATOM 892 H ILE A 467 1.210 16.201 -33.394 1.00 0.00 H ATOM 893 N HIS A 468 1.703 18.430 -35.814 1.00 16.47 N ATOM 894 CA HIS A 468 1.928 19.682 -36.531 1.00 16.62 C ATOM 895 C HIS A 468 3.408 20.050 -36.451 1.00 16.20 C ATOM 896 O HIS A 468 4.002 20.461 -37.440 1.00 16.67 O ATOM 897 CB HIS A 468 1.101 20.831 -35.939 1.00 17.48 C ATOM 898 CG HIS A 468 -0.379 20.622 -36.018 1.00 17.30 C ATOM 899 ND1 HIS A 468 -0.955 19.665 -36.821 1.00 20.44 N ATOM 900 CD2 HIS A 468 -1.399 21.258 -35.393 1.00 16.69 C ATOM 901 CE1 HIS A 468 -2.272 19.717 -36.687 1.00 17.09 C ATOM 902 NE2 HIS A 468 -2.564 20.674 -35.829 1.00 19.51 N ATOM 903 HA HIS A 468 1.620 19.535 -37.566 1.00 0.00 H ATOM 904 HB2 HIS A 468 1.375 20.946 -34.890 1.00 0.00 H ATOM 905 HB3 HIS A 468 1.347 21.745 -36.480 1.00 0.00 H ATOM 906 HD2 HIS A 468 -1.312 22.078 -34.680 1.00 0.00 H ATOM 907 HE1 HIS A 468 -2.991 19.078 -37.199 1.00 0.00 H ATOM 908 H HIS A 468 1.053 18.408 -35.002 1.00 0.00 H ATOM 909 N LEU A 469 3.996 19.903 -35.267 1.00 15.46 N ATOM 910 CA LEU A 469 5.413 20.221 -35.092 1.00 16.16 C ATOM 911 C LEU A 469 6.280 19.345 -35.990 1.00 16.38 C ATOM 912 O LEU A 469 7.249 19.815 -36.574 1.00 17.30 O ATOM 913 CB LEU A 469 5.828 20.039 -33.625 1.00 15.70 C ATOM 914 CG LEU A 469 5.445 21.203 -32.696 1.00 16.05 C ATOM 915 CD1 LEU A 469 5.471 20.760 -31.235 1.00 16.82 C ATOM 916 CD2 LEU A 469 6.411 22.359 -32.932 1.00 15.07 C ATOM 917 HA LEU A 469 5.562 21.263 -35.375 1.00 0.00 H ATOM 918 HB2 LEU A 469 5.353 19.134 -33.248 1.00 0.00 H ATOM 919 HB3 LEU A 469 6.911 19.920 -33.591 1.00 0.00 H ATOM 920 HG LEU A 469 4.429 21.529 -32.919 1.00 0.00 H ATOM 921 HD21 LEU A 469 7.428 22.031 -32.715 1.00 0.00 H ATOM 922 HD22 LEU A 469 6.346 22.679 -33.972 1.00 0.00 H ATOM 923 HD23 LEU A 469 6.148 23.190 -32.278 1.00 0.00 H ATOM 924 HD11 LEU A 469 4.761 19.946 -31.091 1.00 0.00 H ATOM 925 HD12 LEU A 469 6.474 20.419 -30.978 1.00 0.00 H ATOM 926 HD13 LEU A 469 5.197 21.600 -30.597 1.00 0.00 H ATOM 927 H LEU A 469 3.442 19.558 -34.457 1.00 0.00 H ATOM 928 N SER A 470 5.914 18.072 -36.102 1.00 16.41 N ATOM 929 CA SER A 470 6.655 17.126 -36.932 1.00 18.96 C ATOM 930 C SER A 470 6.512 17.420 -38.426 1.00 20.91 C ATOM 931 O SER A 470 7.362 17.027 -39.218 1.00 21.80 O ATOM 932 CB SER A 470 6.178 15.692 -36.660 1.00 17.97 C ATOM 933 OG SER A 470 4.922 15.446 -37.274 1.00 18.80 O ATOM 934 HA SER A 470 7.706 17.234 -36.665 1.00 0.00 H ATOM 935 HB2 SER A 470 6.083 15.546 -35.584 1.00 0.00 H ATOM 936 HB3 SER A 470 6.912 14.991 -37.057 1.00 0.00 H ATOM 937 HG SER A 470 4.250 16.077 -36.913 1.00 0.00 H ATOM 938 H SER A 470 5.076 17.740 -35.584 1.00 0.00 H ATOM 939 N GLU A 471 5.436 18.109 -38.800 1.00 20.29 N ATOM 940 CA GLU A 471 5.165 18.439 -40.201 1.00 22.65 C ATOM 941 C GLU A 471 5.663 19.828 -40.600 1.00 24.35 C ATOM 942 O GLU A 471 5.392 20.291 -41.703 1.00 26.10 O ATOM 943 CB GLU A 471 3.652 18.353 -40.479 1.00 22.95 C ATOM 944 CG GLU A 471 3.024 17.018 -40.105 1.00 26.39 C ATOM 945 CD GLU A 471 1.514 17.008 -40.264 1.00 28.35 C ATOM 946 OE1 GLU A 471 0.853 17.958 -39.789 1.00 29.17 O ATOM 947 OE2 GLU A 471 0.986 16.042 -40.852 1.00 30.52 O ATOM 948 HA GLU A 471 5.712 17.710 -40.799 1.00 0.00 H ATOM 949 HB2 GLU A 471 3.154 19.137 -39.909 1.00 0.00 H ATOM 950 HB3 GLU A 471 3.490 18.521 -41.544 1.00 0.00 H ATOM 951 HG2 GLU A 471 3.446 16.244 -40.745 1.00 0.00 H ATOM 952 HG3 GLU A 471 3.266 16.799 -39.065 1.00 0.00 H ATOM 953 H GLU A 471 4.764 18.424 -38.071 1.00 0.00 H ATOM 954 N GLY A 472 6.388 20.490 -39.703 1.00 22.51 N ATOM 955 CA GLY A 472 6.885 21.819 -40.008 1.00 21.55 C ATOM 956 C GLY A 472 8.347 22.018 -39.662 1.00 21.53 C ATOM 957 O GLY A 472 9.012 21.100 -39.195 1.00 18.37 O ATOM 958 HA3 GLY A 472 6.296 22.544 -39.446 1.00 0.00 H ATOM 959 HA2 GLY A 472 6.756 21.998 -41.075 1.00 0.00 H ATOM 960 H GLY A 472 6.599 20.055 -38.782 1.00 0.00 H ATOM 961 N SER A 473 8.835 23.236 -39.887 1.00 19.81 N ATOM 962 CA SER A 473 10.228 23.575 -39.622 1.00 19.93 C ATOM 963 C SER A 473 10.411 24.361 -38.326 1.00 20.93 C ATOM 964 O SER A 473 11.519 24.756 -37.991 1.00 19.56 O ATOM 965 CB SER A 473 10.803 24.380 -40.795 1.00 19.73 C ATOM 966 OG SER A 473 10.054 25.562 -41.023 1.00 20.82 O ATOM 967 HA SER A 473 10.766 22.634 -39.508 1.00 0.00 H ATOM 968 HB2 SER A 473 10.779 23.765 -41.694 1.00 0.00 H ATOM 969 HB3 SER A 473 11.834 24.651 -40.569 1.00 0.00 H ATOM 970 HG SER A 473 10.447 26.059 -41.783 1.00 0.00 H ATOM 971 H SER A 473 8.202 23.970 -40.264 1.00 0.00 H ATOM 972 N ASN A 474 9.317 24.590 -37.606 1.00 20.12 N ATOM 973 CA ASN A 474 9.384 25.324 -36.347 1.00 20.64 C ATOM 974 C ASN A 474 10.214 24.562 -35.327 1.00 20.27 C ATOM 975 O ASN A 474 10.110 23.350 -35.217 1.00 19.08 O ATOM 976 CB ASN A 474 7.978 25.549 -35.772 1.00 21.76 C ATOM 977 CG ASN A 474 7.209 26.625 -36.507 1.00 23.65 C ATOM 978 OD1 ASN A 474 6.868 27.649 -35.935 1.00 29.87 O ATOM 979 ND2 ASN A 474 6.932 26.393 -37.781 1.00 25.29 N ATOM 980 HA ASN A 474 9.851 26.288 -36.552 1.00 0.00 H ATOM 981 HB2 ASN A 474 7.420 24.615 -35.839 1.00 0.00 H ATOM 982 HB3 ASN A 474 8.072 25.841 -34.726 1.00 0.00 H ATOM 983 HD22 ASN A 474 7.242 25.506 -38.228 1.00 0.00 H ATOM 984 HD21 ASN A 474 6.404 27.097 -38.335 1.00 0.00 H ATOM 985 H ASN A 474 8.398 24.240 -37.946 1.00 0.00 H ATOM 986 N LYS A 475 11.044 25.284 -34.586 1.00 19.82 N ATOM 987 CA LYS A 475 11.859 24.656 -33.563 1.00 21.24 C ATOM 988 C LYS A 475 11.012 24.477 -32.312 1.00 20.94 C ATOM 989 O LYS A 475 10.080 25.248 -32.063 1.00 19.51 O ATOM 990 CB LYS A 475 13.083 25.519 -33.250 1.00 25.91 C ATOM 991 CG LYS A 475 14.071 25.599 -34.396 1.00 30.74 C ATOM 992 CD LYS A 475 15.292 26.423 -34.025 1.00 36.37 C ATOM 993 CE LYS A 475 16.322 26.404 -35.148 1.00 40.92 C ATOM 994 NZ LYS A 475 16.790 25.020 -35.448 1.00 43.51 N ATOM 995 HA LYS A 475 12.210 23.687 -33.918 1.00 0.00 H ATOM 996 HB2 LYS A 475 12.744 26.528 -33.015 1.00 0.00 H ATOM 997 HB3 LYS A 475 13.592 25.097 -32.384 1.00 0.00 H ATOM 998 HG2 LYS A 475 14.391 24.591 -34.659 1.00 0.00 H ATOM 999 HG3 LYS A 475 13.581 26.059 -35.254 1.00 0.00 H ATOM 1000 HD2 LYS A 475 14.985 27.452 -33.839 1.00 0.00 H ATOM 1001 HD3 LYS A 475 15.741 26.010 -33.122 1.00 0.00 H ATOM 1002 HE2 LYS A 475 17.178 27.010 -34.852 1.00 0.00 H ATOM 1003 HE3 LYS A 475 15.873 26.827 -36.046 1.00 0.00 H ATOM 1004 HZ1 LYS A 475 17.226 24.611 -34.597 1.00 0.00 H ATOM 1005 HZ2 LYS A 475 15.979 24.437 -35.738 1.00 0.00 H ATOM 1006 HZ3 LYS A 475 17.489 25.051 -36.217 1.00 0.00 H ATOM 1007 H LYS A 475 11.111 26.310 -34.740 1.00 0.00 H ATOM 1008 N TYR A 476 11.327 23.444 -31.539 1.00 18.63 N ATOM 1009 CA TYR A 476 10.603 23.166 -30.312 1.00 18.15 C ATOM 1010 C TYR A 476 11.510 23.322 -29.099 1.00 18.95 C ATOM 1011 O TYR A 476 12.695 23.005 -29.155 1.00 19.30 O ATOM 1012 CB TYR A 476 10.024 21.739 -30.341 1.00 17.70 C ATOM 1013 CG TYR A 476 9.394 21.320 -29.030 1.00 18.30 C ATOM 1014 CD1 TYR A 476 10.083 20.510 -28.127 1.00 18.83 C ATOM 1015 CD2 TYR A 476 8.128 21.777 -28.669 1.00 20.04 C ATOM 1016 CE1 TYR A 476 9.526 20.166 -26.896 1.00 18.51 C ATOM 1017 CE2 TYR A 476 7.564 21.441 -27.439 1.00 18.80 C ATOM 1018 CZ TYR A 476 8.268 20.640 -26.560 1.00 19.85 C ATOM 1019 OH TYR A 476 7.722 20.327 -25.339 1.00 18.91 O ATOM 1020 HA TYR A 476 9.787 23.884 -30.235 1.00 0.00 H ATOM 1021 HB3 TYR A 476 10.830 21.043 -30.576 1.00 0.00 H ATOM 1022 HB2 TYR A 476 9.264 21.690 -31.121 1.00 0.00 H ATOM 1023 HD2 TYR A 476 7.569 22.408 -29.360 1.00 0.00 H ATOM 1024 HE2 TYR A 476 6.573 21.808 -27.172 1.00 0.00 H ATOM 1025 HE1 TYR A 476 10.076 19.529 -26.203 1.00 0.00 H ATOM 1026 HD1 TYR A 476 11.074 20.140 -28.388 1.00 0.00 H ATOM 1027 HH TYR A 476 7.556 21.160 -24.830 1.00 0.00 H ATOM 1028 H TYR A 476 12.110 22.820 -31.819 1.00 0.00 H ATOM 1029 N TYR A 477 10.941 23.829 -28.010 1.00 18.75 N ATOM 1030 CA TYR A 477 11.677 24.002 -26.764 1.00 19.07 C ATOM 1031 C TYR A 477 10.891 23.314 -25.661 1.00 17.83 C ATOM 1032 O TYR A 477 9.720 23.606 -25.457 1.00 18.68 O ATOM 1033 CB TYR A 477 11.873 25.487 -26.455 1.00 21.12 C ATOM 1034 CG TYR A 477 12.737 26.174 -27.485 1.00 21.85 C ATOM 1035 CD1 TYR A 477 12.179 26.707 -28.644 1.00 24.61 C ATOM 1036 CD2 TYR A 477 14.122 26.218 -27.339 1.00 25.31 C ATOM 1037 CE1 TYR A 477 12.977 27.262 -29.636 1.00 25.95 C ATOM 1038 CE2 TYR A 477 14.933 26.772 -28.329 1.00 25.67 C ATOM 1039 CZ TYR A 477 14.352 27.290 -29.473 1.00 26.41 C ATOM 1040 OH TYR A 477 15.140 27.832 -30.462 1.00 29.36 O ATOM 1041 HA TYR A 477 12.669 23.559 -26.845 1.00 0.00 H ATOM 1042 HB3 TYR A 477 12.347 25.583 -25.478 1.00 0.00 H ATOM 1043 HB2 TYR A 477 10.898 25.973 -26.434 1.00 0.00 H ATOM 1044 HD2 TYR A 477 14.579 25.813 -26.436 1.00 0.00 H ATOM 1045 HE2 TYR A 477 16.015 26.797 -28.203 1.00 0.00 H ATOM 1046 HE1 TYR A 477 12.524 27.673 -30.538 1.00 0.00 H ATOM 1047 HD1 TYR A 477 11.097 26.688 -28.775 1.00 0.00 H ATOM 1048 HH TYR A 477 14.565 28.152 -31.202 1.00 0.00 H ATOM 1049 H TYR A 477 9.941 24.111 -28.048 1.00 0.00 H ATOM 1050 N CYS A 478 11.539 22.387 -24.960 1.00 19.77 N ATOM 1051 CA CYS A 478 10.866 21.645 -23.901 1.00 20.22 C ATOM 1052 C CYS A 478 10.419 22.545 -22.759 1.00 21.49 C ATOM 1053 O CYS A 478 10.832 23.697 -22.659 1.00 20.15 O ATOM 1054 CB CYS A 478 11.763 20.520 -23.363 1.00 20.74 C ATOM 1055 SG CYS A 478 13.126 21.046 -22.310 1.00 20.93 S ATOM 1056 HA CYS A 478 9.972 21.207 -24.346 1.00 0.00 H ATOM 1057 HB2 CYS A 478 12.184 19.990 -24.217 1.00 0.00 H ATOM 1058 HB3 CYS A 478 11.137 19.839 -22.786 1.00 0.00 H ATOM 1059 HG CYS A 478 13.951 21.895 -23.018 1.00 0.00 H ATOM 1060 H CYS A 478 12.538 22.189 -25.170 1.00 0.00 H ATOM 1061 N ASN A 479 9.566 21.997 -21.902 1.00 22.43 N ATOM 1062 CA ASN A 479 9.013 22.728 -20.772 1.00 24.73 C ATOM 1063 C ASN A 479 10.064 23.299 -19.818 1.00 24.95 C ATOM 1064 O ASN A 479 9.843 24.332 -19.206 1.00 25.47 O ATOM 1065 CB ASN A 479 8.025 21.819 -20.025 1.00 25.74 C ATOM 1066 CG ASN A 479 6.845 21.402 -20.901 1.00 29.08 C ATOM 1067 OD1 ASN A 479 6.101 20.483 -20.572 1.00 29.55 O ATOM 1068 ND2 ASN A 479 6.673 22.093 -22.022 1.00 27.91 N ATOM 1069 HA ASN A 479 8.500 23.601 -21.175 1.00 0.00 H ATOM 1070 HB2 ASN A 479 8.552 20.923 -19.697 1.00 0.00 H ATOM 1071 HB3 ASN A 479 7.644 22.354 -19.155 1.00 0.00 H ATOM 1072 HD22 ASN A 479 7.327 22.865 -22.263 1.00 0.00 H ATOM 1073 HD21 ASN A 479 5.884 21.862 -22.659 1.00 0.00 H ATOM 1074 H ASN A 479 9.282 21.007 -22.044 1.00 0.00 H ATOM 1075 N GLU A 480 11.208 22.632 -19.709 1.00 23.63 N ATOM 1076 CA GLU A 480 12.285 23.096 -18.834 1.00 26.79 C ATOM 1077 C GLU A 480 13.052 24.290 -19.397 1.00 25.91 C ATOM 1078 O GLU A 480 13.547 25.123 -18.652 1.00 26.64 O ATOM 1079 CB GLU A 480 13.297 21.977 -18.590 1.00 27.62 C ATOM 1080 CG GLU A 480 12.959 21.009 -17.485 1.00 33.44 C ATOM 1081 CD GLU A 480 14.025 19.942 -17.343 1.00 37.29 C ATOM 1082 OE1 GLU A 480 14.058 19.022 -18.186 1.00 39.24 O ATOM 1083 OE2 GLU A 480 14.841 20.036 -16.401 1.00 38.52 O ATOM 1084 HA GLU A 480 11.794 23.402 -17.910 1.00 0.00 H ATOM 1085 HB2 GLU A 480 13.394 21.408 -19.514 1.00 0.00 H ATOM 1086 HB3 GLU A 480 14.254 22.439 -18.347 1.00 0.00 H ATOM 1087 HG2 GLU A 480 12.877 21.556 -16.546 1.00 0.00 H ATOM 1088 HG3 GLU A 480 12.006 20.531 -17.710 1.00 0.00 H ATOM 1089 H GLU A 480 11.341 21.759 -20.259 1.00 0.00 H ATOM 1090 N HIS A 481 13.145 24.363 -20.719 1.00 25.97 N ATOM 1091 CA HIS A 481 13.901 25.426 -21.376 1.00 26.45 C ATOM 1092 C HIS A 481 13.075 26.437 -22.163 1.00 27.80 C ATOM 1093 O HIS A 481 13.609 27.427 -22.646 1.00 27.55 O ATOM 1094 CB HIS A 481 14.915 24.797 -22.330 1.00 24.95 C ATOM 1095 CG HIS A 481 15.855 23.834 -21.677 1.00 27.07 C ATOM 1096 ND1 HIS A 481 16.170 22.614 -22.229 1.00 27.73 N ATOM 1097 CD2 HIS A 481 16.593 23.934 -20.541 1.00 26.83 C ATOM 1098 CE1 HIS A 481 17.061 22.001 -21.469 1.00 28.22 C ATOM 1099 NE2 HIS A 481 17.333 22.784 -20.439 1.00 27.39 N ATOM 1100 HA HIS A 481 14.366 25.986 -20.564 1.00 0.00 H ATOM 1101 HB2 HIS A 481 14.368 24.266 -23.109 1.00 0.00 H ATOM 1102 HB3 HIS A 481 15.503 25.597 -22.781 1.00 0.00 H ATOM 1103 HD2 HIS A 481 16.596 24.771 -19.842 1.00 0.00 H ATOM 1104 HE1 HIS A 481 17.496 21.020 -21.659 1.00 0.00 H ATOM 1105 H HIS A 481 12.668 23.646 -21.301 1.00 0.00 H ATOM 1106 N VAL A 482 11.778 26.193 -22.291 1.00 28.85 N ATOM 1107 CA VAL A 482 10.922 27.077 -23.072 1.00 32.24 C ATOM 1108 C VAL A 482 10.888 28.545 -22.646 1.00 34.87 C ATOM 1109 O VAL A 482 10.641 29.415 -23.467 1.00 34.02 O ATOM 1110 CB VAL A 482 9.468 26.543 -23.115 1.00 32.05 C ATOM 1111 CG1 VAL A 482 8.761 26.835 -21.804 1.00 31.11 C ATOM 1112 CG2 VAL A 482 8.729 27.156 -24.290 1.00 31.13 C ATOM 1113 HA VAL A 482 11.389 27.066 -24.057 1.00 0.00 H ATOM 1114 HB VAL A 482 9.485 25.461 -23.250 1.00 0.00 H ATOM 1115 HG11 VAL A 482 9.296 26.348 -20.988 1.00 0.00 H ATOM 1116 HG12 VAL A 482 8.741 27.912 -21.636 1.00 0.00 H ATOM 1117 HG13 VAL A 482 7.741 26.454 -21.850 1.00 0.00 H ATOM 1118 HG21 VAL A 482 8.712 28.240 -24.181 1.00 0.00 H ATOM 1119 HG22 VAL A 482 9.238 26.891 -25.216 1.00 0.00 H ATOM 1120 HG23 VAL A 482 7.708 26.776 -24.314 1.00 0.00 H ATOM 1121 H VAL A 482 11.365 25.359 -21.827 1.00 0.00 H ATOM 1122 N GLN A 483 11.144 28.825 -21.374 1.00 39.27 N ATOM 1123 CA GLN A 483 11.097 30.205 -20.892 1.00 43.88 C ATOM 1124 C GLN A 483 12.440 30.908 -20.916 1.00 46.10 C ATOM 1125 O GLN A 483 12.536 32.078 -20.565 1.00 47.59 O ATOM 1126 CB GLN A 483 10.568 30.241 -19.466 1.00 46.05 C ATOM 1127 CG GLN A 483 9.343 29.394 -19.240 1.00 50.33 C ATOM 1128 CD GLN A 483 9.074 29.183 -17.770 1.00 53.24 C ATOM 1129 OE1 GLN A 483 8.711 30.112 -17.056 1.00 53.89 O ATOM 1130 NE2 GLN A 483 9.267 27.952 -17.305 1.00 54.09 N ATOM 1131 HA GLN A 483 10.436 30.734 -21.578 1.00 0.00 H ATOM 1132 HB2 GLN A 483 11.355 29.888 -18.800 1.00 0.00 H ATOM 1133 HB3 GLN A 483 10.320 31.273 -19.219 1.00 0.00 H ATOM 1134 HG2 GLN A 483 8.483 29.890 -19.689 1.00 0.00 H ATOM 1135 HG3 GLN A 483 9.491 28.424 -19.715 1.00 0.00 H ATOM 1136 HE22 GLN A 483 9.575 27.195 -17.949 1.00 0.00 H ATOM 1137 HE21 GLN A 483 9.110 27.746 -16.298 1.00 0.00 H ATOM 1138 H GLN A 483 11.380 28.056 -20.714 1.00 0.00 H ATOM 1139 N ILE A 484 13.482 30.200 -21.325 1.00 47.40 N ATOM 1140 CA ILE A 484 14.799 30.807 -21.340 1.00 48.26 C ATOM 1141 C ILE A 484 15.026 31.797 -22.462 1.00 48.89 C ATOM 1142 O ILE A 484 14.755 31.520 -23.629 1.00 48.18 O ATOM 1143 CB ILE A 484 15.904 29.748 -21.388 1.00 49.17 C ATOM 1144 CG1 ILE A 484 15.856 28.911 -20.108 1.00 48.98 C ATOM 1145 CG2 ILE A 484 17.267 30.423 -21.535 1.00 49.74 C ATOM 1146 CD1 ILE A 484 16.861 27.791 -20.068 1.00 49.69 C ATOM 1147 HA ILE A 484 14.844 31.366 -20.405 1.00 0.00 H ATOM 1148 HB ILE A 484 15.749 29.095 -22.247 1.00 0.00 H ATOM 1149 HG12 ILE A 484 16.044 29.570 -19.260 1.00 0.00 H ATOM 1150 HG13 ILE A 484 14.859 28.480 -20.018 1.00 0.00 H ATOM 1151 HD11 ILE A 484 16.681 27.113 -20.902 1.00 0.00 H ATOM 1152 HD12 ILE A 484 17.867 28.204 -20.144 1.00 0.00 H ATOM 1153 HD13 ILE A 484 16.760 27.248 -19.128 1.00 0.00 H ATOM 1154 HG21 ILE A 484 17.286 31.004 -22.457 1.00 0.00 H ATOM 1155 HG22 ILE A 484 17.438 31.083 -20.684 1.00 0.00 H ATOM 1156 HG23 ILE A 484 18.046 29.662 -21.568 1.00 0.00 H ATOM 1157 H ILE A 484 13.356 29.215 -21.634 1.00 0.00 H ATOM 1158 N ALA A 485 15.525 32.967 -22.074 1.00 49.49 N ATOM 1159 CA ALA A 485 15.838 34.026 -23.015 1.00 49.87 C ATOM 1160 C ALA A 485 16.644 33.355 -24.109 1.00 49.33 C ATOM 1161 O ALA A 485 17.588 32.628 -23.834 1.00 50.03 O ATOM 1162 CB ALA A 485 16.670 35.100 -22.330 1.00 49.74 C ATOM 1163 HA ALA A 485 14.943 34.510 -23.406 1.00 0.00 H ATOM 1164 HB1 ALA A 485 16.107 35.516 -21.494 1.00 0.00 H ATOM 1165 HB2 ALA A 485 17.597 34.660 -21.962 1.00 0.00 H ATOM 1166 HB3 ALA A 485 16.900 35.890 -23.044 1.00 0.00 H ATOM 1167 H ALA A 485 15.697 33.128 -21.061 1.00 0.00 H ATOM 1168 N ARG A 486 16.261 33.600 -25.352 1.00 49.25 N ATOM 1169 CA ARG A 486 16.943 32.980 -26.470 1.00 49.64 C ATOM 1170 C ARG A 486 18.156 33.735 -26.977 1.00 49.43 C ATOM 1171 O ARG A 486 18.385 34.883 -26.537 1.00 48.13 O ATOM 1172 CB ARG A 486 15.987 32.780 -27.633 1.00 48.07 C ATOM 1173 CG ARG A 486 16.076 31.400 -28.225 1.00 48.18 C ATOM 1174 CD ARG A 486 15.035 30.509 -27.601 1.00 47.81 C ATOM 1175 NE ARG A 486 13.774 30.595 -28.326 1.00 46.85 N ATOM 1176 CZ ARG A 486 12.604 30.214 -27.830 1.00 46.81 C ATOM 1177 NH1 ARG A 486 11.502 30.317 -28.562 1.00 45.98 N ATOM 1178 NH2 ARG A 486 12.536 29.749 -26.591 1.00 46.25 N ATOM 1179 HA ARG A 486 17.302 32.029 -26.077 1.00 0.00 H ATOM 1180 HB2 ARG A 486 14.969 32.944 -27.280 1.00 0.00 H ATOM 1181 HB3 ARG A 486 16.223 33.509 -28.409 1.00 0.00 H ATOM 1182 HG2 ARG A 486 15.907 31.456 -29.300 1.00 0.00 H ATOM 1183 HG3 ARG A 486 17.067 30.988 -28.035 1.00 0.00 H ATOM 1184 HD2 ARG A 486 14.875 30.817 -26.568 1.00 0.00 H ATOM 1185 HD3 ARG A 486 15.389 29.478 -27.621 1.00 0.00 H ATOM 1186 HE ARG A 486 13.792 30.979 -29.292 1.00 0.00 H ATOM 1187 HH12 ARG A 486 10.587 30.017 -28.169 1.00 0.00 H ATOM 1188 HH11 ARG A 486 11.553 30.698 -29.528 1.00 0.00 H ATOM 1189 HH22 ARG A 486 11.621 29.449 -26.198 1.00 0.00 H ATOM 1190 HH21 ARG A 486 13.397 29.684 -26.012 1.00 0.00 H ATOM 1191 H ARG A 486 15.463 34.243 -25.528 1.00 0.00 H ATOM 1192 N ALA A 487 18.865 33.157 -27.824 1.00 48.82 N ATOM 1193 HN3 ALA A 487 19.831 33.054 -27.453 1.00 0.00 H ATOM 1194 HN2 ALA A 487 18.886 33.719 -28.699 1.00 0.00 H ATOM 1195 HN1 ALA A 487 18.467 32.217 -28.024 1.00 0.00 H TER 1196 ALA A 487 HETATM 1197 ZN ZN A 1 10.431 11.345 -20.791 1.00 18.42 ZN HETATM 1198 ZN ZN A 2 15.031 21.388 -23.577 1.00 22.04 ZN HETATM 1199 O HOH 3 19.019 13.659 -22.744 1.00 45.55 O HETATM 1200 O HOH 4 21.482 11.269 -30.174 1.00 40.86 O HETATM 1201 O HOH 5 21.361 15.052 -28.857 1.00 48.20 O HETATM 1202 O HOH 6 12.529 20.710 -12.413 1.00 49.92 O HETATM 1203 O HOH 7 9.462 19.207 -18.314 1.00 34.78 O HETATM 1204 O HOH 8 -5.746 13.133 -29.052 1.00 37.77 O HETATM 1205 O HOH 9 9.125 21.360 -16.691 1.00 44.78 O HETATM 1206 O HOH 10 17.801 10.535 -26.883 1.00 26.63 O HETATM 1207 O HOH 11 17.868 4.402 -24.945 1.00 33.66 O HETATM 1208 O HOH 12 14.378 5.499 -34.558 1.00 35.57 O HETATM 1209 O HOH 13 16.579 2.478 -19.725 1.00 46.35 O HETATM 1210 O HOH 14 17.298 6.330 -18.298 1.00 50.50 O HETATM 1211 O HOH 15 15.664 17.571 -19.685 1.00 34.14 O HETATM 1212 O HOH 16 7.117 14.606 -17.557 1.00 20.93 O HETATM 1213 O HOH 17 10.183 17.803 -15.992 1.00 20.79 O HETATM 1214 O HOH 18 10.791 7.442 -15.820 1.00 40.04 O HETATM 1215 O HOH 19 11.783 10.560 -13.558 1.00 48.80 O HETATM 1216 O HOH 20 6.471 4.356 -19.093 1.00 18.44 O HETATM 1217 O HOH 21 7.296 8.749 -12.890 1.00 27.28 O HETATM 1218 O HOH 22 4.725 13.011 -17.467 1.00 27.44 O HETATM 1219 O HOH 23 2.749 9.531 -18.165 1.00 40.08 O HETATM 1220 O HOH 24 4.225 5.962 -16.205 1.00 53.31 O HETATM 1221 O HOH 25 13.061 5.887 -20.398 1.00 27.19 O HETATM 1222 O HOH 26 8.528 -0.766 -23.444 1.00 24.36 O HETATM 1223 O HOH 27 13.847 3.361 -19.386 1.00 20.84 O HETATM 1224 O HOH 28 15.736 -1.313 -16.489 1.00 55.93 O HETATM 1225 O HOH 29 4.615 3.325 -14.537 1.00 49.57 O HETATM 1226 O HOH 30 2.409 1.753 -17.960 1.00 33.02 O HETATM 1227 O HOH 31 3.945 4.701 -20.345 1.00 32.76 O HETATM 1228 O HOH 32 -2.291 1.852 -25.945 1.00 17.31 O HETATM 1229 O HOH 33 -3.630 9.949 -27.606 1.00 47.17 O HETATM 1230 O HOH 34 -3.262 4.853 -28.985 1.00 41.09 O HETATM 1231 O HOH 35 -1.308 4.025 -30.441 1.00 41.74 O HETATM 1232 O HOH 36 -1.115 1.448 -30.456 1.00 21.56 O HETATM 1233 O HOH 37 0.331 3.006 -34.093 1.00 43.54 O HETATM 1234 O HOH 38 4.896 7.936 -25.109 1.00 17.01 O HETATM 1235 O HOH 39 10.549 -1.072 -29.078 1.00 32.61 O HETATM 1236 O HOH 40 8.071 -1.372 -26.203 1.00 19.83 O HETATM 1237 O HOH 41 7.062 0.569 -33.269 1.00 31.01 O HETATM 1238 O HOH 42 6.239 3.592 -31.772 1.00 18.58 O HETATM 1239 O HOH 43 6.357 10.157 -25.662 1.00 16.26 O HETATM 1240 O HOH 44 13.491 21.790 -32.170 1.00 23.33 O HETATM 1241 O HOH 45 17.947 22.908 -33.333 1.00 33.56 O HETATM 1242 O HOH 46 20.336 26.762 -29.533 1.00 42.68 O HETATM 1243 O HOH 47 17.006 28.532 -25.589 1.00 48.77 O HETATM 1244 O HOH 48 20.504 21.279 -23.622 1.00 53.22 O HETATM 1245 O HOH 49 19.329 28.240 -26.682 1.00 48.26 O HETATM 1246 O HOH 50 22.890 21.834 -24.175 1.00 44.52 O HETATM 1247 O HOH 51 22.626 17.341 -29.074 1.00 59.56 O HETATM 1248 O HOH 52 25.243 23.539 -30.617 1.00 41.90 O HETATM 1249 O HOH 53 26.713 19.979 -24.796 1.00 50.95 O HETATM 1250 O HOH 54 16.364 15.018 -22.587 1.00 24.26 O HETATM 1251 O HOH 55 19.148 13.837 -25.988 1.00 38.99 O HETATM 1252 O HOH 56 19.868 12.632 -32.695 1.00 53.31 O HETATM 1253 O HOH 57 2.668 5.892 -22.472 1.00 21.33 O HETATM 1254 O HOH 58 6.893 18.437 -18.764 1.00 26.92 O HETATM 1255 O HOH 59 2.603 13.548 -19.048 1.00 26.00 O HETATM 1256 O HOH 60 -0.486 16.269 -17.254 1.00 26.88 O HETATM 1257 O HOH 61 3.337 20.633 -18.869 1.00 38.44 O HETATM 1258 O HOH 62 -1.553 19.024 -21.809 1.00 45.65 O HETATM 1259 O HOH 63 -6.107 18.063 -29.184 1.00 37.24 O HETATM 1260 O HOH 64 -7.409 20.088 -25.857 1.00 50.17 O HETATM 1261 O HOH 65 -3.519 13.864 -27.542 1.00 26.02 O HETATM 1262 O HOH 66 -4.745 15.942 -30.405 1.00 22.90 O HETATM 1263 O HOH 67 -10.804 18.797 -34.099 1.00 52.22 O HETATM 1264 O HOH 68 4.545 23.249 -38.426 1.00 40.15 O HETATM 1265 O HOH 69 -4.579 18.186 -37.169 1.00 35.06 O HETATM 1266 O HOH 70 6.992 22.718 -37.020 1.00 19.27 O HETATM 1267 O HOH 71 9.563 18.423 -40.149 1.00 30.13 O HETATM 1268 O HOH 72 7.201 15.047 -41.728 1.00 51.63 O HETATM 1269 O HOH 73 4.398 13.379 -39.048 1.00 50.55 O HETATM 1270 O HOH 74 4.821 23.306 -42.419 1.00 26.72 O HETATM 1271 O HOH 75 4.310 19.689 -44.284 1.00 40.62 O HETATM 1272 O HOH 76 2.000 13.560 -40.455 1.00 45.82 O HETATM 1273 O HOH 77 11.806 27.697 -40.955 1.00 28.73 O HETATM 1274 O HOH 78 13.972 23.875 -38.307 1.00 49.17 O HETATM 1275 O HOH 79 8.380 27.858 -39.499 1.00 49.75 O HETATM 1276 O HOH 80 4.707 29.598 -36.054 1.00 42.62 O HETATM 1277 O HOH 81 6.617 31.112 -37.011 1.00 46.95 O HETATM 1278 O HOH 82 3.951 27.385 -38.359 1.00 51.44 O HETATM 1279 O HOH 83 11.404 27.981 -35.100 1.00 25.18 O HETATM 1280 O HOH 84 7.265 23.420 -24.327 1.00 23.79 O HETATM 1281 O HOH 85 8.264 25.341 -28.271 1.00 21.12 O HETATM 1282 O HOH 86 13.708 29.667 -32.466 1.00 53.94 O HETATM 1283 O HOH 87 19.898 9.865 -28.745 1.00 41.56 O HETATM 1284 O HOH 88 18.133 0.840 -22.014 1.00 51.99 O HETATM 1285 O HOH 89 5.427 24.227 -21.637 1.00 49.29 O HETATM 1286 O HOH 90 10.406 19.644 -14.001 1.00 30.09 O HETATM 1287 O HOH 91 18.185 18.658 -20.282 1.00 49.92 O HETATM 1288 O HOH 92 10.123 24.128 -15.324 1.00 52.04 O HETATM 1289 O HOH 93 11.576 19.415 -20.007 1.00 30.58 O HETATM 1290 O HOH 94 8.839 7.324 -11.071 1.00 54.66 O HETATM 1291 O HOH 95 3.019 7.002 -18.391 1.00 32.13 O HETATM 1292 O HOH 96 12.102 27.601 -19.030 1.00 47.70 O HETATM 1293 O HOH 97 10.165 29.342 -26.523 1.00 44.53 O HETATM 1294 O HOH 98 14.214 29.173 -24.754 1.00 42.59 O HETATM 1295 O HOH 99 20.444 22.375 -32.236 1.00 44.03 O HETATM 1296 O HOH 100 11.953 17.393 -39.301 1.00 31.34 O HETATM 1297 O HOH 101 9.618 15.729 -37.703 1.00 23.23 O HETATM 1298 O HOH 102 17.728 13.668 -36.143 1.00 34.70 O HETATM 1299 O HOH 103 14.150 20.419 -34.612 1.00 17.67 O HETATM 1300 O HOH 104 10.255 11.022 -38.009 1.00 50.30 O HETATM 1301 O HOH 105 14.482 12.876 -36.490 1.00 45.79 O HETATM 1302 O HOH 106 12.404 14.402 -37.906 1.00 31.69 O HETATM 1303 O HOH 107 10.394 2.699 -35.705 1.00 50.27 O HETATM 1304 O HOH 108 10.639 7.689 -36.183 1.00 30.63 O HETATM 1305 O HOH 109 1.458 11.537 -38.810 1.00 37.33 O HETATM 1306 O HOH 110 6.837 12.134 -39.114 1.00 40.39 O HETATM 1307 O HOH 111 8.323 9.020 -37.423 1.00 28.71 O HETATM 1308 O HOH 112 5.338 6.304 -36.173 1.00 25.41 O HETATM 1309 O HOH 113 2.944 10.448 -41.928 1.00 42.69 O HETATM 1310 O HOH 114 -0.761 5.972 -37.236 1.00 44.70 O HETATM 1311 O HOH 115 -0.813 0.086 -42.228 1.00 46.59 O HETATM 1312 O HOH 116 16.853 10.203 -35.356 1.00 50.71 O HETATM 1313 O HOH 117 -1.120 11.219 -38.005 1.00 37.99 O HETATM 1314 O HOH 118 -2.705 -0.026 -45.016 1.00 48.74 O HETATM 1315 N ALA A 119 9.900 20.840 -36.459 1.00 0.24 N HETATM 1316 CA ALA A 119 10.825 20.265 -35.442 1.00 0.06 C HETATM 1317 C ALA A 119 11.091 18.802 -35.751 1.00 0.23 C HETATM 1318 O ALA A 119 10.231 18.109 -36.283 1.00 -0.39 O HETATM 1319 N ALA A 119 12.293 18.339 -35.424 1.00 -0.26 N HETATM 1320 CA ALA A 119 12.646 16.949 -35.661 1.00 0.13 C HETATM 1321 CB ALA A 119 14.157 16.760 -35.605 1.00 -0.01 C HETATM 1322 CG ALA A 119 14.875 17.001 -36.918 1.00 -0.02 C HETATM 1323 CD ALA A 119 16.305 17.481 -36.667 1.00 0.06 C HETATM 1324 NE ALA A 119 17.087 16.568 -35.819 1.00 -0.27 N HETATM 1325 CZ ALA A 119 18.238 16.792 -35.095 1.00 0.29 C HETATM 1326 NH1 ALA A 119 18.675 15.752 -34.381 1.00 -0.27 N HETATM 1327 CQ1 ALA A 119 19.855 15.905 -33.485 1.00 0.05 C HETATM 1328 H18 ALA A 119 20.062 14.947 -32.985 1.00 0.07 H HETATM 1329 H19 ALA A 119 19.644 16.675 -32.729 1.00 0.07 H HETATM 1330 H20 ALA A 119 20.730 16.205 -34.080 1.00 0.07 H HETATM 1331 H17 ALA A 119 18.196 14.843 -34.450 1.00 0.26 H HETATM 1332 NH2 ALA A 119 18.949 17.975 -35.005 1.00 -0.27 N HETATM 1333 CQ2 ALA A 119 18.716 19.198 -35.747 1.00 0.05 C HETATM 1334 H22 ALA A 119 19.454 19.956 -35.446 1.00 0.07 H HETATM 1335 H23 ALA A 119 17.702 19.568 -35.534 1.00 0.07 H HETATM 1336 H24 ALA A 119 18.815 18.998 -36.824 1.00 0.07 H HETATM 1337 H21 ALA A 119 19.732 17.988 -34.336 1.00 0.26 H HETATM 1338 H16 ALA A 119 16.715 15.609 -35.757 1.00 0.26 H HETATM 1339 H14 ALA A 119 16.262 18.463 -36.174 1.00 0.07 H HETATM 1340 H15 ALA A 119 16.815 17.579 -37.637 1.00 0.07 H HETATM 1341 H12 ALA A 119 14.332 17.766 -37.492 1.00 0.03 H HETATM 1342 H13 ALA A 119 14.904 16.063 -37.492 1.00 0.03 H HETATM 1343 H10 ALA A 119 14.361 15.727 -35.287 1.00 0.03 H HETATM 1344 H11 ALA A 119 14.562 17.460 -34.859 1.00 0.03 H HETATM 1345 C ALA A 119 11.944 16.079 -34.623 1.00 0.20 C HETATM 1346 O ALA A 119 11.899 16.420 -33.448 1.00 -0.39 O HETATM 1347 N ALA A 119 11.396 14.956 -35.075 1.00 -0.26 N HETATM 1348 CA ALA A 119 10.673 14.049 -34.195 1.00 0.16 C HETATM 1349 C ALA A 119 10.957 12.584 -34.509 1.00 0.21 C HETATM 1350 O ALA A 119 11.630 12.264 -35.484 1.00 -0.39 O HETATM 1351 N ALA A 119 10.416 11.711 -33.663 1.00 -0.26 N HETATM 1352 CA ALA A 119 10.545 10.271 -33.807 1.00 0.13 C HETATM 1353 CB ALA A 119 11.567 9.708 -32.818 1.00 -0.01 C HETATM 1354 CG ALA A 119 12.967 10.279 -32.931 1.00 -0.04 C HETATM 1355 CD ALA A 119 13.901 9.524 -32.006 1.00 -0.01 C HETATM 1356 CE ALA A 119 15.310 10.104 -32.015 1.00 -0.03 C HETATM 1357 NZ ALA A 119 16.323 9.242 -31.317 1.00 0.24 N HETATM 1358 CM1 ALA A 119 16.474 7.940 -32.056 1.00 -0.04 C HETATM 1359 H42 ALA A 119 17.216 7.311 -31.543 1.00 0.08 H HETATM 1360 H43 ALA A 119 16.810 8.139 -33.084 1.00 0.08 H HETATM 1361 H44 ALA A 119 15.506 7.418 -32.081 1.00 0.08 H HETATM 1362 CM2 ALA A 119 17.613 10.007 -31.393 1.00 -0.04 C HETATM 1363 H45 ALA A 119 17.506 10.960 -30.854 1.00 0.08 H HETATM 1364 H46 ALA A 119 17.859 10.207 -32.446 1.00 0.08 H HETATM 1365 H47 ALA A 119 18.418 9.414 -30.935 1.00 0.08 H HETATM 1366 CM3 ALA A 119 15.988 8.947 -29.881 1.00 -0.04 C HETATM 1367 H48 ALA A 119 15.043 8.387 -29.833 1.00 0.08 H HETATM 1368 H49 ALA A 119 15.883 9.892 -29.327 1.00 0.08 H HETATM 1369 H50 ALA A 119 16.793 8.347 -29.433 1.00 0.08 H HETATM 1370 H40 ALA A 119 15.285 11.084 -31.516 1.00 0.08 H HETATM 1371 H41 ALA A 119 15.626 10.233 -33.061 1.00 0.08 H HETATM 1372 H38 ALA A 119 13.948 8.474 -32.330 1.00 0.03 H HETATM 1373 H39 ALA A 119 13.503 9.575 -30.982 1.00 0.03 H HETATM 1374 H36 ALA A 119 12.953 11.342 -32.648 1.00 0.03 H HETATM 1375 H37 ALA A 119 13.320 10.180 -33.968 1.00 0.03 H HETATM 1376 H34 ALA A 119 11.630 8.621 -32.977 1.00 0.03 H HETATM 1377 H35 ALA A 119 11.200 9.909 -31.800 1.00 0.03 H HETATM 1378 C ALA A 119 9.187 9.645 -33.504 1.00 0.20 C HETATM 1379 O ALA A 119 8.479 10.093 -32.606 1.00 -0.39 O HETATM 1380 N ALA A 119 8.845 8.609 -34.263 1.00 -0.26 N HETATM 1381 CA ALA A 119 7.591 7.883 -34.099 1.00 0.13 C HETATM 1382 C ALA A 119 6.361 8.769 -34.266 1.00 0.20 C HETATM 1383 O ALA A 119 5.406 8.667 -33.500 1.00 -0.39 O HETATM 1384 N ALA A 119 6.388 9.634 -35.276 1.00 -0.26 N HETATM 1385 CA ALA A 119 5.265 10.525 -35.551 1.00 0.16 C HETATM 1386 C ALA A 119 4.670 10.238 -36.924 1.00 0.21 C HETATM 1387 O ALA A 119 3.730 10.902 -37.353 1.00 -0.39 O HETATM 1388 N ALA A 119 5.228 9.244 -37.606 1.00 -0.26 N HETATM 1389 CA ALA A 119 4.740 8.862 -38.927 1.00 0.13 C HETATM 1390 C ALA A 119 3.474 8.037 -38.753 1.00 0.20 C HETATM 1391 O ALA A 119 3.404 7.187 -37.877 1.00 -0.39 O HETATM 1392 N ALA A 119 2.473 8.300 -39.587 1.00 -0.26 N HETATM 1393 CA ALA A 119 1.216 7.566 -39.513 1.00 0.13 C HETATM 1394 C ALA A 119 1.456 6.109 -39.898 1.00 0.20 C HETATM 1395 O ALA A 119 2.328 5.812 -40.704 1.00 -0.39 O HETATM 1396 N ALA A 119 0.674 5.206 -39.315 1.00 -0.26 N HETATM 1397 CA ALA A 119 0.816 3.779 -39.583 1.00 0.13 C HETATM 1398 C ALA A 119 -0.092 3.275 -40.702 1.00 0.20 C HETATM 1399 O ALA A 119 -0.765 4.101 -41.354 1.00 -0.39 O HETATM 1400 N ALA A 119 -0.109 2.046 -40.915 1.00 -0.30 N HETATM 1401 H81 ALA A 119 -0.689 1.672 -41.638 1.00 0.18 H HETATM 1402 H82 ALA A 119 0.458 1.435 -40.362 1.00 0.18 H HETATM 1403 CB ALA A 119 0.556 2.987 -38.305 1.00 -0.02 C HETATM 1404 H78 ALA A 119 0.664 1.912 -38.511 1.00 0.03 H HETATM 1405 H79 ALA A 119 -0.464 3.191 -37.948 1.00 0.03 H HETATM 1406 H80 ALA A 119 1.281 3.287 -37.534 1.00 0.03 H HETATM 1407 H77 ALA A 119 1.856 3.601 -39.894 1.00 0.08 H HETATM 1408 H76 ALA A 119 -0.031 5.513 -38.675 1.00 0.19 H HETATM 1409 CB ALA A 119 0.184 8.196 -40.440 1.00 -0.02 C HETATM 1410 H73 ALA A 119 -0.759 7.633 -40.375 1.00 0.03 H HETATM 1411 H74 ALA A 119 0.556 8.170 -41.475 1.00 0.03 H HETATM 1412 H75 ALA A 119 0.010 9.240 -40.139 1.00 0.03 H HETATM 1413 H72 ALA A 119 0.838 7.606 -38.481 1.00 0.08 H HETATM 1414 H71 ALA A 119 2.584 9.014 -40.278 1.00 0.19 H HETATM 1415 CB ALA A 119 5.799 8.049 -39.662 1.00 -0.02 C HETATM 1416 H68 ALA A 119 5.420 7.767 -40.656 1.00 0.03 H HETATM 1417 H69 ALA A 119 6.029 7.141 -39.086 1.00 0.03 H HETATM 1418 H70 ALA A 119 6.712 8.653 -39.775 1.00 0.03 H HETATM 1419 H67 ALA A 119 4.511 9.767 -39.509 1.00 0.08 H HETATM 1420 H66 ALA A 119 5.998 8.747 -37.206 1.00 0.19 H HETATM 1421 CB ALA A 119 5.689 12.004 -35.495 1.00 0.09 C HETATM 1422 OG1 ALA A 119 6.865 12.198 -36.294 1.00 -0.39 O HETATM 1423 H62 ALA A 119 7.124 13.111 -36.258 1.00 0.21 H HETATM 1424 CG2 ALA A 119 5.965 12.419 -34.058 1.00 -0.03 C HETATM 1425 H63 ALA A 119 6.266 13.477 -34.033 1.00 0.03 H HETATM 1426 H64 ALA A 119 6.774 11.797 -33.646 1.00 0.03 H HETATM 1427 H65 ALA A 119 5.055 12.283 -33.456 1.00 0.03 H HETATM 1428 H61 ALA A 119 4.875 12.626 -35.896 1.00 0.06 H HETATM 1429 H60 ALA A 119 4.493 10.351 -34.787 1.00 0.08 H HETATM 1430 H59 ALA A 119 7.198 9.675 -35.861 1.00 0.19 H HETATM 1431 CB ALA A 119 7.551 7.208 -32.725 1.00 0.00 C HETATM 1432 CG ALA A 119 8.762 6.327 -32.413 1.00 0.04 C HETATM 1433 CD ALA A 119 8.955 5.204 -33.416 1.00 0.17 C HETATM 1434 OE1 ALA A 119 8.015 4.507 -33.767 1.00 -0.40 O HETATM 1435 NE2 ALA A 119 10.191 5.018 -33.868 1.00 -0.30 N HETATM 1436 H57 ALA A 119 10.377 4.293 -34.531 1.00 0.18 H HETATM 1437 H58 ALA A 119 10.935 5.604 -33.545 1.00 0.18 H HETATM 1438 H55 ALA A 119 8.626 5.885 -31.415 1.00 0.05 H HETATM 1439 H56 ALA A 119 9.664 6.957 -32.415 1.00 0.05 H HETATM 1440 H53 ALA A 119 6.649 6.580 -32.677 1.00 0.03 H HETATM 1441 H54 ALA A 119 7.492 7.994 -31.958 1.00 0.03 H HETATM 1442 H52 ALA A 119 7.552 7.102 -34.872 1.00 0.08 H HETATM 1443 H51 ALA A 119 9.477 8.314 -34.980 1.00 0.19 H HETATM 1444 H33 ALA A 119 10.854 10.028 -34.834 1.00 0.08 H HETATM 1445 H32 ALA A 119 9.893 12.065 -32.887 1.00 0.19 H HETATM 1446 CB ALA A 119 9.151 14.250 -34.327 1.00 0.09 C HETATM 1447 OG1 ALA A 119 8.752 13.939 -35.666 1.00 -0.39 O HETATM 1448 H28 ALA A 119 9.205 14.514 -36.272 1.00 0.21 H HETATM 1449 CG2 ALA A 119 8.760 15.690 -34.007 1.00 -0.03 C HETATM 1450 H29 ALA A 119 7.671 15.805 -34.109 1.00 0.03 H HETATM 1451 H30 ALA A 119 9.268 16.372 -34.705 1.00 0.03 H HETATM 1452 H31 ALA A 119 9.059 15.931 -32.976 1.00 0.03 H HETATM 1453 H27 ALA A 119 8.637 13.575 -33.627 1.00 0.06 H HETATM 1454 H26 ALA A 119 10.979 14.259 -33.159 1.00 0.08 H HETATM 1455 H25 ALA A 119 11.482 14.728 -36.045 1.00 0.19 H HETATM 1456 H9 ALA A 119 12.296 16.658 -36.663 1.00 0.08 H HETATM 1457 H8 ALA A 119 12.963 18.955 -35.010 1.00 0.19 H HETATM 1458 CB ALA A 119 10.220 20.398 -34.040 1.00 -0.00 C HETATM 1459 H5 ALA A 119 10.912 19.970 -33.300 1.00 0.03 H HETATM 1460 H6 ALA A 119 9.262 19.858 -34.001 1.00 0.03 H HETATM 1461 H7 ALA A 119 10.051 21.461 -33.813 1.00 0.03 H HETATM 1462 H4 ALA A 119 11.776 20.816 -35.474 1.00 0.11 H HETATM 1463 H1 ALA A 119 9.729 21.810 -36.247 1.00 0.20 H HETATM 1464 H2 ALA A 119 9.028 20.334 -36.445 1.00 0.20 H HETATM 1465 H3 ALA A 119 10.317 20.765 -37.373 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 151 150 155 1197 CONECT 201 200 205 1197 CONECT 570 569 574 1198 CONECT 638 636 637 1198 CONECT 691 690 693 1197 CONECT 733 732 737 1197 CONECT 1055 1054 1059 1198 CONECT 1096 1095 1098 1198 CONECT 1192 1170 1193 1194 1195 CONECT 1193 1192 CONECT 1194 1192 CONECT 1195 1192 CONECT 1197 151 201 691 733 CONECT 1198 570 638 1055 1096 CONECT 1315 1316 1463 1464 1465 CONECT 1316 1315 1317 1458 1462 CONECT 1317 1316 1318 1319 CONECT 1318 1317 CONECT 1319 1317 1320 1457 CONECT 1320 1319 1321 1345 1456 CONECT 1321 1320 1322 1343 1344 CONECT 1322 1321 1323 1341 1342 CONECT 1323 1322 1324 1339 1340 CONECT 1324 1323 1325 1338 CONECT 1325 1324 1326 1332 CONECT 1326 1325 1327 1331 CONECT 1327 1326 1328 1329 1330 CONECT 1328 1327 CONECT 1329 1327 CONECT 1330 1327 CONECT 1331 1326 CONECT 1332 1325 1333 1337 CONECT 1333 1332 1334 1335 1336 CONECT 1334 1333 CONECT 1335 1333 CONECT 1336 1333 CONECT 1337 1332 CONECT 1338 1324 CONECT 1339 1323 CONECT 1340 1323 CONECT 1341 1322 CONECT 1342 1322 CONECT 1343 1321 CONECT 1344 1321 CONECT 1345 1320 1346 1347 CONECT 1346 1345 CONECT 1347 1345 1348 1455 CONECT 1348 1347 1349 1446 1454 CONECT 1349 1348 1350 1351 CONECT 1350 1349 CONECT 1351 1349 1352 1445 CONECT 1352 1351 1353 1378 1444 CONECT 1353 1352 1354 1376 1377 CONECT 1354 1353 1355 1374 1375 CONECT 1355 1354 1356 1372 1373 CONECT 1356 1355 1357 1370 1371 CONECT 1357 1356 1358 1362 1366 CONECT 1358 1357 1359 1360 1361 CONECT 1359 1358 CONECT 1360 1358 CONECT 1361 1358 CONECT 1362 1357 1363 1364 1365 CONECT 1363 1362 CONECT 1364 1362 CONECT 1365 1362 CONECT 1366 1357 1367 1368 1369 CONECT 1367 1366 CONECT 1368 1366 CONECT 1369 1366 CONECT 1370 1356 CONECT 1371 1356 CONECT 1372 1355 CONECT 1373 1355 CONECT 1374 1354 CONECT 1375 1354 CONECT 1376 1353 CONECT 1377 1353 CONECT 1378 1352 1379 1380 CONECT 1379 1378 CONECT 1380 1378 1381 1443 CONECT 1381 1380 1382 1431 1442 CONECT 1382 1381 1383 1384 CONECT 1383 1382 CONECT 1384 1382 1385 1430 CONECT 1385 1384 1386 1421 1429 CONECT 1386 1385 1387 1388 CONECT 1387 1386 CONECT 1388 1386 1389 1420 CONECT 1389 1388 1390 1415 1419 CONECT 1390 1389 1391 1392 CONECT 1391 1390 CONECT 1392 1390 1393 1414 CONECT 1393 1392 1394 1409 1413 CONECT 1394 1393 1395 1396 CONECT 1395 1394 CONECT 1396 1394 1397 1408 CONECT 1397 1396 1398 1403 1407 CONECT 1398 1397 1399 1400 CONECT 1399 1398 CONECT 1400 1398 1401 1402 CONECT 1401 1400 CONECT 1402 1400 CONECT 1403 1397 1404 1405 1406 CONECT 1404 1403 CONECT 1405 1403 CONECT 1406 1403 CONECT 1407 1397 CONECT 1408 1396 CONECT 1409 1393 1410 1411 1412 CONECT 1410 1409 CONECT 1411 1409 CONECT 1412 1409 CONECT 1413 1393 CONECT 1414 1392 CONECT 1415 1389 1416 1417 1418 CONECT 1416 1415 CONECT 1417 1415 CONECT 1418 1415 CONECT 1419 1389 CONECT 1420 1388 CONECT 1421 1385 1422 1424 1428 CONECT 1422 1421 1423 CONECT 1423 1422 CONECT 1424 1421 1425 1426 1427 CONECT 1425 1424 CONECT 1426 1424 CONECT 1427 1424 CONECT 1428 1421 CONECT 1429 1385 CONECT 1430 1384 CONECT 1431 1381 1432 1440 1441 CONECT 1432 1431 1433 1438 1439 CONECT 1433 1432 1434 1435 CONECT 1434 1433 CONECT 1435 1433 1436 1437 CONECT 1436 1435 CONECT 1437 1435 CONECT 1438 1432 CONECT 1439 1432 CONECT 1440 1431 CONECT 1441 1431 CONECT 1442 1381 CONECT 1443 1380 CONECT 1444 1352 CONECT 1445 1351 CONECT 1446 1348 1447 1449 1453 CONECT 1447 1446 1448 CONECT 1448 1447 CONECT 1449 1446 1450 1451 1452 CONECT 1450 1449 CONECT 1451 1449 CONECT 1452 1449 CONECT 1453 1446 CONECT 1454 1348 CONECT 1455 1347 CONECT 1456 1320 CONECT 1457 1319 CONECT 1458 1316 1459 1460 1461 CONECT 1459 1458 CONECT 1460 1458 CONECT 1461 1458 CONECT 1462 1316 CONECT 1463 1315 CONECT 1464 1315 CONECT 1465 1315 MASTER 0 0 0 0 0 0 0 0 1464 1 169 6 END
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Related entries of code: 2v87
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%
2v88
RCSB PDB
PDBbind
82aa, >2V88_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1g6g
RCSB PDB
PDBbind
13-mer
1gag
RCSB PDB
PDBbind
13-mer
1haa
RCSB PDB
PDBbind
13-mer
1hc9
RCSB PDB
PDBbind
13-mer
1i8h
RCSB PDB
PDBbind
13-mer
1j4p
RCSB PDB
PDBbind
13-mer
1j4q
RCSB PDB
PDBbind
13-mer
1juq
RCSB PDB
PDBbind
13-mer
1jwm
RCSB PDB
PDBbind
13-mer
1jws
RCSB PDB
PDBbind
13-mer
1jwu
RCSB PDB
PDBbind
13-mer
1k3n
RCSB PDB
PDBbind
13-mer
1k3q
RCSB PDB
PDBbind
13-mer
1oeb
RCSB PDB
PDBbind
13-mer
1opi
RCSB PDB
PDBbind
13-mer
1osv
RCSB PDB
PDBbind
13-mer
1ow6
RCSB PDB
PDBbind
13-mer
1ow7
RCSB PDB
PDBbind
13-mer
1ow8
RCSB PDB
PDBbind
13-mer
1p4u
RCSB PDB
PDBbind
13-mer
1r5v
RCSB PDB
PDBbind
13-mer
1r5w
RCSB PDB
PDBbind
13-mer
1rgj
RCSB PDB
PDBbind
13-mer
1sjh
RCSB PDB
PDBbind
13-mer
1sm3
RCSB PDB
PDBbind
13-mer
1thr
RCSB PDB
PDBbind
13-mer
1u9l
RCSB PDB
PDBbind
13-mer
1uef
RCSB PDB
PDBbind
13-mer
1yvh
RCSB PDB
PDBbind
13-mer
1ywh
RCSB PDB
PDBbind
13-mer
1zhk
RCSB PDB
PDBbind
13-mer
1zhl
RCSB PDB
PDBbind
13-mer
2a25
RCSB PDB
PDBbind
13-mer
2c9t
RCSB PDB
PDBbind
13-mer
2dwx
RCSB PDB
PDBbind
13-mer
2fts
RCSB PDB
PDBbind
13-mer
2las
RCSB PDB
PDBbind
13-mer
2lct
RCSB PDB
PDBbind
13-mer
2lsp
RCSB PDB
PDBbind
13-mer
2lto
RCSB PDB
PDBbind
13-mer
2lyw
RCSB PDB
PDBbind
13-mer
2mc1
RCSB PDB
PDBbind
13-mer
2mkr
RCSB PDB
PDBbind
13-mer
2ndf
RCSB PDB
PDBbind
13-mer
2ndg
RCSB PDB
PDBbind
13-mer
2qki
RCSB PDB
PDBbind
13-mer
2r0y
RCSB PDB
PDBbind
13-mer
2rnx
RCSB PDB
PDBbind
13-mer
2vr3
RCSB PDB
PDBbind
13-mer
3ask
RCSB PDB
PDBbind
13-mer
3bum
RCSB PDB
PDBbind
13-mer
3bun
RCSB PDB
PDBbind
13-mer
3buo
RCSB PDB
PDBbind
13-mer
3buw
RCSB PDB
PDBbind
13-mer
3bux
RCSB PDB
PDBbind
13-mer
3c3o
RCSB PDB
PDBbind
13-mer
3c3r
RCSB PDB
PDBbind
13-mer
3coj
RCSB PDB
PDBbind
13-mer
3e1r
RCSB PDB
PDBbind
13-mer
3eg6
RCSB PDB
PDBbind
13-mer
3emh
RCSB PDB
PDBbind
13-mer
3g2s
RCSB PDB
PDBbind
13-mer
3g2t
RCSB PDB
PDBbind
13-mer
3g2u
RCSB PDB
PDBbind
13-mer
3g2v
RCSB PDB
PDBbind
13-mer
3ml4
RCSB PDB
PDBbind
13-mer
3n5u
RCSB PDB
PDBbind
13-mer
3nfk
RCSB PDB
PDBbind
13-mer
3nti
RCSB PDB
PDBbind
13-mer
3o1d
RCSB PDB
PDBbind
13-mer
3o1e
RCSB PDB
PDBbind
13-mer
3q5u
RCSB PDB
PDBbind
13-mer
3rqf
RCSB PDB
PDBbind
13-mer
3rqg
RCSB PDB
PDBbind
13-mer
3rz9
RCSB PDB
PDBbind
13-mer
3s7f
RCSB PDB
PDBbind
13-mer
3tdz
RCSB PDB
PDBbind
13-mer
3ui2
RCSB PDB
PDBbind
13-mer
4abi
RCSB PDB
PDBbind
13-mer
4abj
RCSB PDB
PDBbind
13-mer
4b9w
RCSB PDB
PDBbind
13-mer
4bea
RCSB PDB
PDBbind
13-mer
4bv2
RCSB PDB
PDBbind
13-mer
4f14
RCSB PDB
PDBbind
13-mer
4f20
RCSB PDB
PDBbind
13-mer
4h3q
RCSB PDB
PDBbind
13-mer
4ib5
RCSB PDB
PDBbind
13-mer
4jmg
RCSB PDB
PDBbind
13-mer
4jmh
RCSB PDB
PDBbind
13-mer
4l1u
RCSB PDB
PDBbind
13-mer
4m7c
RCSB PDB
PDBbind
13-mer
4mz5
RCSB PDB
PDBbind
13-mer
4mz6
RCSB PDB
PDBbind
13-mer
4n7h
RCSB PDB
PDBbind
13-mer
4po7
RCSB PDB
PDBbind
13-mer
4qh8
RCSB PDB
PDBbind
13-mer
4rme
RCSB PDB
PDBbind
13-mer
4um9
RCSB PDB
PDBbind
13-mer
4umn
RCSB PDB
PDBbind
13-mer
4w4z
RCSB PDB
PDBbind
13-mer
4wj7
RCSB PDB
PDBbind
13-mer
4x3e
RCSB PDB
PDBbind
13-mer
4yjl
RCSB PDB
PDBbind
13-mer
4z0d
RCSB PDB
PDBbind
13-mer
4z0e
RCSB PDB
PDBbind
13-mer
4z0f
RCSB PDB
PDBbind
13-mer
5cil
RCSB PDB
PDBbind
13-mer
5dd0
RCSB PDB
PDBbind
13-mer
5dhf
RCSB PDB
PDBbind
13-mer
5dx3
RCSB PDB
PDBbind
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5dxe
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13-mer
5dxg
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13-mer
5e0m
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13-mer
5eay
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13-mer
5eyz
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13-mer
5fyq
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5gg4
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5h1e
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13-mer
5h7g
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13-mer
5hyr
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13-mer
5hyx
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13-mer
5jr2
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5kgn
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13-mer
5lgp
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13-mer
5lu2
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5n8b
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13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
RCSB PDB
PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
RCSB PDB
PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgd
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
5yyz
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
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PDBbind
13-mer
5mtw
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13-mer
Entry Information
PDB ID
2v87
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
RAG2-PHD
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=25.1uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2007) Proc.Natl.Acad.Sci.USA Vol. 104: pp. 18993
Ligand Properties
Formula
C
4
2
H
8
2
N
1
5
O
1
2
Molecular Weight
989.194
Exact Mass
988.627
No. of atoms
151
No. of bonds
150
Polar Surface Area
425.11
LOGP Value
-5.76 (
Computed with XLOGP3
)
-4.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 41
No. of Nitrogen and Oxygen Atoms: 27
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)N[C@H](C(=O)N)C)C)C)[C@H](O)C)CCC(=O)N)CCCC[N+](C)(C)C)[C@H](O)C)NC(=O)[C@@H]([NH3+])C)NC
InChI String
InChI=1S/C42H79N15O12/c1-21(43)34(62)52-28(16-14-19-48-42(46-7)47-8)38(66)56-32(26(6)59)41(69)54-27(15-12-13-20-57(9,10)11)37(65)53-29(17-18-30(44)60)39(67)55-31(25(5)58)40(68)51-24(4)36(64)50-23(3)35(63)49-22(2)33(45)61/h21-29,31-32,58-59H,12-20,43H2,1-11H3,(H13-,44,45,46,47,48,49,50,51,52,53,54,55,56,60,61,62,63,64,65,66,67,68,69)/p+3/t21-,22-,23-,24-,25+,26+,27-,28-,29-,31-,32-/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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