Browse entries in the PDBbind-CN Database
HEADER 1ABT_COMPLEX COMPND 1ABT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 74 ILE VAL CYS HIS THR THR ALA THR SER PRO ILE SER ALA SEQRES 2 A 74 VAL THR CYS PRO PRO GLY GLU ASN LEU CYS TYR ARG LYS SEQRES 3 A 74 MET TRP CYS ASP ALA PHE CYS SER SER ARG GLY LYS VAL SEQRES 4 A 74 VAL GLU LEU GLY CYS ALA ALA THR CYS PRO SER LYS LYS SEQRES 5 A 74 PRO TYR GLU GLU VAL THR CYS CYS SER THR ASP LYS CYS SEQRES 6 A 74 ASN PRO HIS PRO LYS GLN ARG PRO GLY HET LYS A 75 125 SSBOND 1 CYS A 3 CYS A 23 SSBOND 2 CYS A 29 CYS A 33 SSBOND 3 CYS A 16 CYS A 44 SSBOND 4 CYS A 48 CYS A 59 SSBOND 5 CYS A 60 CYS A 65 ATOM 1 N ILE A 1 -2.088 11.957 -3.952 1.00 0.00 N ATOM 2 CA ILE A 1 -1.666 10.549 -4.149 1.00 0.00 C ATOM 3 C ILE A 1 -2.864 9.619 -4.422 1.00 0.00 C ATOM 4 O ILE A 1 -3.482 9.040 -3.529 1.00 0.00 O ATOM 5 CB ILE A 1 -0.723 10.157 -2.998 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.589 10.967 -3.012 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.442 8.655 -2.828 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.373 10.946 -4.333 1.00 0.00 C ATOM 9 HA ILE A 1 -1.083 10.431 -5.062 1.00 0.00 H ATOM 10 HB ILE A 1 -1.299 10.427 -2.113 1.00 0.00 H ATOM 11 HG12 ILE A 1 0.344 12.005 -2.784 1.00 0.00 H ATOM 12 HG13 ILE A 1 1.237 10.568 -2.232 1.00 0.00 H ATOM 13 HD11 ILE A 1 1.645 9.919 -4.576 1.00 0.00 H ATOM 14 HD12 ILE A 1 0.752 11.357 -5.129 1.00 0.00 H ATOM 15 HD13 ILE A 1 2.276 11.548 -4.228 1.00 0.00 H ATOM 16 HG21 ILE A 1 -1.379 8.130 -2.640 1.00 0.00 H ATOM 17 HG22 ILE A 1 0.017 8.267 -3.737 1.00 0.00 H ATOM 18 HG23 ILE A 1 0.234 8.506 -1.986 1.00 0.00 H ATOM 19 HN3 ILE A 1 -2.735 12.013 -3.140 1.00 0.00 H ATOM 20 HN2 ILE A 1 -2.574 12.295 -4.807 1.00 0.00 H ATOM 21 HN1 ILE A 1 -1.251 12.547 -3.771 1.00 0.00 H ATOM 22 N VAL A 2 -3.191 9.577 -5.715 1.00 0.00 N ATOM 23 CA VAL A 2 -4.344 8.814 -6.252 1.00 0.00 C ATOM 24 C VAL A 2 -3.896 7.451 -6.758 1.00 0.00 C ATOM 25 O VAL A 2 -3.588 7.263 -7.933 1.00 0.00 O ATOM 26 CB VAL A 2 -5.141 9.521 -7.375 1.00 0.00 C ATOM 27 CG1 VAL A 2 -6.523 9.935 -6.858 1.00 0.00 C ATOM 28 CG2 VAL A 2 -4.427 10.645 -8.115 1.00 0.00 C ATOM 29 HA VAL A 2 -5.023 8.722 -5.404 1.00 0.00 H ATOM 30 HB VAL A 2 -5.252 8.772 -8.159 1.00 0.00 H ATOM 31 HG11 VAL A 2 -7.069 9.049 -6.534 1.00 0.00 H ATOM 32 HG12 VAL A 2 -6.405 10.618 -6.017 1.00 0.00 H ATOM 33 HG13 VAL A 2 -7.075 10.431 -7.656 1.00 0.00 H ATOM 34 HG21 VAL A 2 -4.153 11.427 -7.407 1.00 0.00 H ATOM 35 HG22 VAL A 2 -3.528 10.252 -8.590 1.00 0.00 H ATOM 36 HG23 VAL A 2 -5.091 11.057 -8.875 1.00 0.00 H ATOM 37 H VAL A 2 -2.603 10.111 -6.386 1.00 0.00 H ATOM 38 N CYS A 3 -3.736 6.543 -5.798 1.00 0.00 N ATOM 39 CA CYS A 3 -3.375 5.155 -6.089 1.00 0.00 C ATOM 40 C CYS A 3 -4.326 4.224 -5.311 1.00 0.00 C ATOM 41 O CYS A 3 -5.507 4.527 -5.161 1.00 0.00 O ATOM 42 CB CYS A 3 -1.893 4.945 -5.761 1.00 0.00 C ATOM 43 SG CYS A 3 -0.645 5.744 -6.817 1.00 0.00 S ATOM 44 HA CYS A 3 -3.494 4.916 -7.146 1.00 0.00 H ATOM 45 HB2 CYS A 3 -1.705 3.872 -5.796 1.00 0.00 H ATOM 46 HB3 CYS A 3 -1.734 5.307 -4.745 1.00 0.00 H ATOM 47 H CYS A 3 -3.872 6.830 -4.808 1.00 0.00 H ATOM 48 N HIS A 4 -3.786 3.159 -4.744 1.00 0.00 N ATOM 49 CA HIS A 4 -4.508 2.145 -3.967 1.00 0.00 C ATOM 50 C HIS A 4 -4.704 2.556 -2.499 1.00 0.00 C ATOM 51 O HIS A 4 -4.460 1.838 -1.537 1.00 0.00 O ATOM 52 CB HIS A 4 -3.661 0.877 -4.125 1.00 0.00 C ATOM 53 CG HIS A 4 -3.884 0.357 -5.548 1.00 0.00 C ATOM 54 ND1 HIS A 4 -5.087 0.018 -6.014 1.00 0.00 N ATOM 55 CD2 HIS A 4 -3.174 0.745 -6.604 1.00 0.00 C ATOM 56 CE1 HIS A 4 -5.148 0.298 -7.307 1.00 0.00 C ATOM 57 NE2 HIS A 4 -3.952 0.730 -7.686 1.00 0.00 N ATOM 58 HA HIS A 4 -5.527 1.999 -4.325 1.00 0.00 H ATOM 59 HB2 HIS A 4 -2.607 1.110 -3.973 1.00 0.00 H ATOM 60 HB3 HIS A 4 -3.974 0.126 -3.399 1.00 0.00 H ATOM 61 HD2 HIS A 4 -2.122 1.030 -6.587 1.00 0.00 H ATOM 62 HE1 HIS A 4 -6.025 0.192 -7.946 1.00 0.00 H ATOM 63 H HIS A 4 -2.761 3.028 -4.859 1.00 0.00 H ATOM 64 N THR A 5 -5.324 3.724 -2.360 1.00 0.00 N ATOM 65 CA THR A 5 -5.471 4.400 -1.064 1.00 0.00 C ATOM 66 C THR A 5 -6.438 3.678 -0.152 1.00 0.00 C ATOM 67 O THR A 5 -7.537 3.251 -0.501 1.00 0.00 O ATOM 68 CB THR A 5 -5.780 5.882 -1.263 1.00 0.00 C ATOM 69 OG1 THR A 5 -4.579 6.457 -1.776 1.00 0.00 O ATOM 70 CG2 THR A 5 -6.230 6.651 -0.028 1.00 0.00 C ATOM 71 HA THR A 5 -4.518 4.357 -0.537 1.00 0.00 H ATOM 72 HB THR A 5 -6.639 5.954 -1.930 1.00 0.00 H ATOM 73 HG1 THR A 5 -4.717 7.426 -1.927 1.00 0.00 H ATOM 74 HG23 THR A 5 -7.147 6.208 0.360 1.00 0.00 H ATOM 75 HG21 THR A 5 -5.451 6.602 0.733 1.00 0.00 H ATOM 76 HG22 THR A 5 -6.412 7.692 -0.296 1.00 0.00 H ATOM 77 H THR A 5 -5.722 4.179 -3.206 1.00 0.00 H ATOM 78 N THR A 6 -5.793 3.317 0.942 1.00 0.00 N ATOM 79 CA THR A 6 -6.500 2.771 2.119 1.00 0.00 C ATOM 80 C THR A 6 -6.706 3.791 3.244 1.00 0.00 C ATOM 81 O THR A 6 -7.294 3.447 4.258 1.00 0.00 O ATOM 82 CB THR A 6 -5.866 1.499 2.681 1.00 0.00 C ATOM 83 OG1 THR A 6 -4.585 1.813 3.228 1.00 0.00 O ATOM 84 CG2 THR A 6 -5.809 0.381 1.653 1.00 0.00 C ATOM 85 HA THR A 6 -7.482 2.509 1.724 1.00 0.00 H ATOM 86 HB THR A 6 -6.497 1.115 3.483 1.00 0.00 H ATOM 87 HG1 THR A 6 -4.172 0.990 3.593 1.00 0.00 H ATOM 88 HG23 THR A 6 -6.812 0.187 1.273 1.00 0.00 H ATOM 89 HG21 THR A 6 -5.159 0.678 0.830 1.00 0.00 H ATOM 90 HG22 THR A 6 -5.416 -0.521 2.121 1.00 0.00 H ATOM 91 H THR A 6 -4.759 3.420 0.976 1.00 0.00 H ATOM 92 N ALA A 7 -6.450 5.073 2.953 1.00 0.00 N ATOM 93 CA ALA A 7 -6.731 6.176 3.894 1.00 0.00 C ATOM 94 C ALA A 7 -8.215 6.552 3.781 1.00 0.00 C ATOM 95 O ALA A 7 -8.660 7.239 2.865 1.00 0.00 O ATOM 96 CB ALA A 7 -5.817 7.371 3.593 1.00 0.00 C ATOM 97 HA ALA A 7 -6.527 5.863 4.918 1.00 0.00 H ATOM 98 HB1 ALA A 7 -4.776 7.066 3.699 1.00 0.00 H ATOM 99 HB2 ALA A 7 -5.995 7.715 2.574 1.00 0.00 H ATOM 100 HB3 ALA A 7 -6.034 8.178 4.293 1.00 0.00 H ATOM 101 H ALA A 7 -6.036 5.301 2.026 1.00 0.00 H ATOM 102 N THR A 8 -8.966 5.791 4.576 1.00 0.00 N ATOM 103 CA THR A 8 -10.454 5.792 4.664 1.00 0.00 C ATOM 104 C THR A 8 -11.085 5.379 3.324 1.00 0.00 C ATOM 105 O THR A 8 -12.097 5.922 2.866 1.00 0.00 O ATOM 106 CB THR A 8 -10.995 7.122 5.245 1.00 0.00 C ATOM 107 OG1 THR A 8 -10.774 8.237 4.383 1.00 0.00 O ATOM 108 CG2 THR A 8 -10.345 7.405 6.608 1.00 0.00 C ATOM 109 HA THR A 8 -10.762 5.031 5.381 1.00 0.00 H ATOM 110 HB THR A 8 -12.073 6.998 5.352 1.00 0.00 H ATOM 111 HG1 THR A 8 -9.802 8.348 4.231 1.00 0.00 H ATOM 112 HG23 THR A 8 -10.511 6.556 7.271 1.00 0.00 H ATOM 113 HG21 THR A 8 -9.274 7.559 6.474 1.00 0.00 H ATOM 114 HG22 THR A 8 -10.790 8.300 7.043 1.00 0.00 H ATOM 115 H THR A 8 -8.462 5.128 5.199 1.00 0.00 H ATOM 116 N SER A 9 -10.492 4.344 2.737 1.00 0.00 N ATOM 117 CA SER A 9 -10.872 3.829 1.402 1.00 0.00 C ATOM 118 C SER A 9 -10.483 2.346 1.230 1.00 0.00 C ATOM 119 O SER A 9 -9.387 1.967 1.618 1.00 0.00 O ATOM 120 CB SER A 9 -10.164 4.638 0.300 1.00 0.00 C ATOM 121 OG SER A 9 -10.401 6.035 0.424 1.00 0.00 O ATOM 122 HA SER A 9 -11.954 3.927 1.319 1.00 0.00 H ATOM 123 HB2 SER A 9 -10.530 4.304 -0.671 1.00 0.00 H ATOM 124 HB3 SER A 9 -9.091 4.456 0.365 1.00 0.00 H ATOM 125 HG SER A 9 -10.065 6.349 1.301 1.00 0.00 H ATOM 126 H SER A 9 -9.718 3.870 3.244 1.00 0.00 H ATOM 127 N PRO A 10 -11.400 1.482 0.783 1.00 0.00 N ATOM 128 CA PRO A 10 -11.058 0.086 0.439 1.00 0.00 C ATOM 129 C PRO A 10 -10.301 -0.015 -0.898 1.00 0.00 C ATOM 130 O PRO A 10 -10.906 0.014 -1.963 1.00 0.00 O ATOM 131 CB PRO A 10 -12.386 -0.662 0.445 1.00 0.00 C ATOM 132 CG PRO A 10 -13.425 0.423 0.151 1.00 0.00 C ATOM 133 CD PRO A 10 -12.863 1.663 0.837 1.00 0.00 C ATOM 134 HA PRO A 10 -10.365 -0.354 1.156 1.00 0.00 H ATOM 135 HD3 PRO A 10 -13.160 2.567 0.305 1.00 0.00 H ATOM 136 HD2 PRO A 10 -13.207 1.722 1.870 1.00 0.00 H ATOM 137 HG3 PRO A 10 -14.395 0.155 0.568 1.00 0.00 H ATOM 138 HG2 PRO A 10 -13.525 0.585 -0.922 1.00 0.00 H ATOM 139 HB2 PRO A 10 -12.401 -1.432 -0.326 1.00 0.00 H ATOM 140 HB3 PRO A 10 -12.568 -1.120 1.417 1.00 0.00 H ATOM 141 N ILE A 11 -8.991 0.231 -0.791 1.00 0.00 N ATOM 142 CA ILE A 11 -7.986 0.128 -1.883 1.00 0.00 C ATOM 143 C ILE A 11 -8.465 0.943 -3.120 1.00 0.00 C ATOM 144 O ILE A 11 -8.499 0.490 -4.259 1.00 0.00 O ATOM 145 CB ILE A 11 -7.671 -1.350 -2.220 1.00 0.00 C ATOM 146 CG1 ILE A 11 -7.375 -2.172 -0.960 1.00 0.00 C ATOM 147 CG2 ILE A 11 -6.444 -1.440 -3.143 1.00 0.00 C ATOM 148 CD1 ILE A 11 -7.632 -3.674 -1.146 1.00 0.00 C ATOM 149 HA ILE A 11 -7.045 0.565 -1.547 1.00 0.00 H ATOM 150 HB ILE A 11 -8.555 -1.754 -2.713 1.00 0.00 H ATOM 151 HG12 ILE A 11 -6.328 -2.030 -0.691 1.00 0.00 H ATOM 152 HG13 ILE A 11 -8.010 -1.809 -0.152 1.00 0.00 H ATOM 153 HD11 ILE A 11 -8.679 -3.833 -1.406 1.00 0.00 H ATOM 154 HD12 ILE A 11 -6.996 -4.054 -1.946 1.00 0.00 H ATOM 155 HD13 ILE A 11 -7.403 -4.198 -0.218 1.00 0.00 H ATOM 156 HG21 ILE A 11 -6.646 -0.900 -4.068 1.00 0.00 H ATOM 157 HG22 ILE A 11 -5.582 -0.998 -2.644 1.00 0.00 H ATOM 158 HG23 ILE A 11 -6.237 -2.486 -3.369 1.00 0.00 H ATOM 159 H ILE A 11 -8.642 0.522 0.144 1.00 0.00 H ATOM 160 N SER A 12 -8.870 2.180 -2.837 1.00 0.00 N ATOM 161 CA SER A 12 -9.604 3.033 -3.788 1.00 0.00 C ATOM 162 C SER A 12 -8.738 4.237 -4.185 1.00 0.00 C ATOM 163 O SER A 12 -7.975 4.760 -3.375 1.00 0.00 O ATOM 164 CB SER A 12 -10.896 3.591 -3.191 1.00 0.00 C ATOM 165 OG SER A 12 -11.350 2.838 -2.063 1.00 0.00 O ATOM 166 HA SER A 12 -9.843 2.404 -4.645 1.00 0.00 H ATOM 167 HB2 SER A 12 -11.671 3.574 -3.957 1.00 0.00 H ATOM 168 HB3 SER A 12 -10.720 4.620 -2.877 1.00 0.00 H ATOM 169 HG SER A 12 -11.521 1.903 -2.339 1.00 0.00 H ATOM 170 H SER A 12 -8.657 2.564 -1.894 1.00 0.00 H ATOM 171 N ALA A 13 -8.870 4.627 -5.448 1.00 0.00 N ATOM 172 CA ALA A 13 -8.185 5.809 -6.003 1.00 0.00 C ATOM 173 C ALA A 13 -8.708 7.152 -5.442 1.00 0.00 C ATOM 174 O ALA A 13 -9.687 7.733 -5.912 1.00 0.00 O ATOM 175 CB ALA A 13 -8.169 5.724 -7.529 1.00 0.00 C ATOM 176 HA ALA A 13 -7.149 5.794 -5.664 1.00 0.00 H ATOM 177 HB1 ALA A 13 -7.640 4.821 -7.836 1.00 0.00 H ATOM 178 HB2 ALA A 13 -9.193 5.691 -7.901 1.00 0.00 H ATOM 179 HB3 ALA A 13 -7.662 6.599 -7.935 1.00 0.00 H ATOM 180 H ALA A 13 -9.486 4.072 -6.076 1.00 0.00 H ATOM 181 N VAL A 14 -8.169 7.436 -4.260 1.00 0.00 N ATOM 182 CA VAL A 14 -8.410 8.650 -3.448 1.00 0.00 C ATOM 183 C VAL A 14 -7.061 9.340 -3.177 1.00 0.00 C ATOM 184 O VAL A 14 -6.115 8.712 -2.693 1.00 0.00 O ATOM 185 CB VAL A 14 -9.146 8.267 -2.149 1.00 0.00 C ATOM 186 CG1 VAL A 14 -9.194 9.366 -1.086 1.00 0.00 C ATOM 187 CG2 VAL A 14 -10.572 7.779 -2.428 1.00 0.00 C ATOM 188 HA VAL A 14 -9.048 9.354 -3.982 1.00 0.00 H ATOM 189 HB VAL A 14 -8.542 7.458 -1.738 1.00 0.00 H ATOM 190 HG11 VAL A 14 -8.178 9.639 -0.801 1.00 0.00 H ATOM 191 HG12 VAL A 14 -9.706 10.239 -1.491 1.00 0.00 H ATOM 192 HG13 VAL A 14 -9.732 9.000 -0.211 1.00 0.00 H ATOM 193 HG21 VAL A 14 -11.136 8.571 -2.922 1.00 0.00 H ATOM 194 HG22 VAL A 14 -10.535 6.901 -3.073 1.00 0.00 H ATOM 195 HG23 VAL A 14 -11.056 7.519 -1.487 1.00 0.00 H ATOM 196 H VAL A 14 -7.511 6.734 -3.866 1.00 0.00 H ATOM 197 N THR A 15 -7.016 10.631 -3.488 1.00 0.00 N ATOM 198 CA THR A 15 -5.908 11.524 -3.092 1.00 0.00 C ATOM 199 C THR A 15 -5.945 11.752 -1.584 1.00 0.00 C ATOM 200 O THR A 15 -6.765 12.518 -1.081 1.00 0.00 O ATOM 201 CB THR A 15 -6.027 12.900 -3.793 1.00 0.00 C ATOM 202 OG1 THR A 15 -7.411 13.270 -3.856 1.00 0.00 O ATOM 203 CG2 THR A 15 -5.350 12.929 -5.159 1.00 0.00 C ATOM 204 HA THR A 15 -4.973 11.048 -3.386 1.00 0.00 H ATOM 205 HB THR A 15 -5.488 13.641 -3.202 1.00 0.00 H ATOM 206 HG1 THR A 15 -7.778 13.328 -2.938 1.00 0.00 H ATOM 207 HG23 THR A 15 -4.304 12.640 -5.051 1.00 0.00 H ATOM 208 HG21 THR A 15 -5.854 12.231 -5.828 1.00 0.00 H ATOM 209 HG22 THR A 15 -5.410 13.936 -5.571 1.00 0.00 H ATOM 210 H THR A 15 -7.801 11.033 -4.039 1.00 0.00 H ATOM 211 N CYS A 16 -5.158 10.917 -0.896 1.00 0.00 N ATOM 212 CA CYS A 16 -5.098 10.832 0.578 1.00 0.00 C ATOM 213 C CYS A 16 -4.645 12.111 1.303 1.00 0.00 C ATOM 214 O CYS A 16 -3.509 12.542 1.119 1.00 0.00 O ATOM 215 CB CYS A 16 -4.203 9.644 0.985 1.00 0.00 C ATOM 216 SG CYS A 16 -2.601 9.587 0.095 1.00 0.00 S ATOM 217 HA CYS A 16 -6.128 10.686 0.902 1.00 0.00 H ATOM 218 HB2 CYS A 16 -4.744 8.720 0.780 1.00 0.00 H ATOM 219 HB3 CYS A 16 -4.001 9.716 2.054 1.00 0.00 H ATOM 220 H CYS A 16 -4.542 10.280 -1.440 1.00 0.00 H ATOM 221 N PRO A 17 -5.528 12.703 2.113 1.00 0.00 N ATOM 222 CA PRO A 17 -5.134 13.742 3.078 1.00 0.00 C ATOM 223 C PRO A 17 -4.084 13.268 4.100 1.00 0.00 C ATOM 224 O PRO A 17 -3.207 14.067 4.425 1.00 0.00 O ATOM 225 CB PRO A 17 -6.440 14.246 3.700 1.00 0.00 C ATOM 226 CG PRO A 17 -7.463 13.995 2.595 1.00 0.00 C ATOM 227 CD PRO A 17 -7.008 12.667 1.985 1.00 0.00 C ATOM 228 HA PRO A 17 -4.610 14.560 2.583 1.00 0.00 H ATOM 229 HD3 PRO A 17 -7.425 11.824 2.536 1.00 0.00 H ATOM 230 HD2 PRO A 17 -7.305 12.598 0.939 1.00 0.00 H ATOM 231 HG3 PRO A 17 -7.440 14.793 1.853 1.00 0.00 H ATOM 232 HG2 PRO A 17 -8.469 13.911 3.006 1.00 0.00 H ATOM 233 HB2 PRO A 17 -6.689 13.684 4.600 1.00 0.00 H ATOM 234 HB3 PRO A 17 -6.376 15.307 3.942 1.00 0.00 H ATOM 235 N PRO A 18 -4.098 12.009 4.589 1.00 0.00 N ATOM 236 CA PRO A 18 -2.936 11.473 5.337 1.00 0.00 C ATOM 237 C PRO A 18 -1.859 10.949 4.381 1.00 0.00 C ATOM 238 O PRO A 18 -2.106 10.019 3.607 1.00 0.00 O ATOM 239 CB PRO A 18 -3.468 10.324 6.196 1.00 0.00 C ATOM 240 CG PRO A 18 -4.968 10.575 6.264 1.00 0.00 C ATOM 241 CD PRO A 18 -5.278 11.176 4.895 1.00 0.00 C ATOM 242 HA PRO A 18 -2.478 12.255 5.943 1.00 0.00 H ATOM 243 HD3 PRO A 18 -5.403 10.392 4.148 1.00 0.00 H ATOM 244 HD2 PRO A 18 -6.181 11.785 4.935 1.00 0.00 H ATOM 245 HG3 PRO A 18 -5.213 11.274 7.064 1.00 0.00 H ATOM 246 HG2 PRO A 18 -5.515 9.644 6.417 1.00 0.00 H ATOM 247 HB2 PRO A 18 -3.257 9.362 5.729 1.00 0.00 H ATOM 248 HB3 PRO A 18 -3.026 10.348 7.192 1.00 0.00 H ATOM 249 N GLY A 19 -0.753 11.688 4.333 1.00 0.00 N ATOM 250 CA GLY A 19 0.515 11.178 3.777 1.00 0.00 C ATOM 251 C GLY A 19 1.182 12.152 2.803 1.00 0.00 C ATOM 252 O GLY A 19 0.764 13.294 2.625 1.00 0.00 O ATOM 253 HA3 GLY A 19 0.312 10.245 3.250 1.00 0.00 H ATOM 254 HA2 GLY A 19 1.203 10.986 4.601 1.00 0.00 H ATOM 255 H GLY A 19 -0.784 12.660 4.701 1.00 0.00 H ATOM 256 N GLU A 20 2.256 11.637 2.217 1.00 0.00 N ATOM 257 CA GLU A 20 3.142 12.422 1.324 1.00 0.00 C ATOM 258 C GLU A 20 3.217 11.854 -0.117 1.00 0.00 C ATOM 259 O GLU A 20 2.551 10.865 -0.422 1.00 0.00 O ATOM 260 CB GLU A 20 4.529 12.590 1.976 1.00 0.00 C ATOM 261 CG GLU A 20 4.586 13.484 3.214 1.00 0.00 C ATOM 262 CD GLU A 20 4.145 12.780 4.505 1.00 0.00 C ATOM 263 OE1 GLU A 20 4.897 11.863 4.940 1.00 0.00 O ATOM 264 OE2 GLU A 20 3.090 13.158 5.036 1.00 0.00 O ATOM 265 HA GLU A 20 2.701 13.412 1.203 1.00 0.00 H ATOM 266 HB2 GLU A 20 4.885 11.600 2.263 1.00 0.00 H ATOM 267 HB3 GLU A 20 5.200 13.013 1.228 1.00 0.00 H ATOM 268 HG2 GLU A 20 5.612 13.829 3.343 1.00 0.00 H ATOM 269 HG3 GLU A 20 3.934 14.342 3.050 1.00 0.00 H ATOM 270 H GLU A 20 2.486 10.638 2.392 1.00 0.00 H ATOM 271 N ASN A 21 4.238 12.303 -0.841 1.00 0.00 N ATOM 272 CA ASN A 21 4.493 12.201 -2.307 1.00 0.00 C ATOM 273 C ASN A 21 4.742 10.812 -2.955 1.00 0.00 C ATOM 274 O ASN A 21 5.231 10.735 -4.075 1.00 0.00 O ATOM 275 CB ASN A 21 5.657 13.153 -2.609 1.00 0.00 C ATOM 276 CG ASN A 21 6.894 12.822 -1.764 1.00 0.00 C ATOM 277 OD1 ASN A 21 6.972 13.100 -0.573 1.00 0.00 O ATOM 278 ND2 ASN A 21 7.825 12.092 -2.335 1.00 0.00 N ATOM 279 HA ASN A 21 3.544 12.462 -2.775 1.00 0.00 H ATOM 280 HB2 ASN A 21 5.917 13.070 -3.664 1.00 0.00 H ATOM 281 HB3 ASN A 21 5.344 14.174 -2.393 1.00 0.00 H ATOM 282 HD22 ASN A 21 7.755 11.858 -3.346 1.00 0.00 H ATOM 283 HD21 ASN A 21 8.632 11.748 -1.776 1.00 0.00 H ATOM 284 H ASN A 21 4.973 12.803 -0.301 1.00 0.00 H ATOM 285 N LEU A 22 4.437 9.749 -2.221 1.00 0.00 N ATOM 286 CA LEU A 22 4.514 8.347 -2.687 1.00 0.00 C ATOM 287 C LEU A 22 3.222 7.577 -2.422 1.00 0.00 C ATOM 288 O LEU A 22 2.644 7.592 -1.331 1.00 0.00 O ATOM 289 CB LEU A 22 5.643 7.548 -2.017 1.00 0.00 C ATOM 290 CG LEU A 22 7.086 7.991 -2.262 1.00 0.00 C ATOM 291 CD1 LEU A 22 7.952 6.881 -1.677 1.00 0.00 C ATOM 292 CD2 LEU A 22 7.450 8.125 -3.744 1.00 0.00 C ATOM 293 HA LEU A 22 4.703 8.435 -3.757 1.00 0.00 H ATOM 294 HB2 LEU A 22 5.471 7.586 -0.941 1.00 0.00 H ATOM 295 HB3 LEU A 22 5.558 6.517 -2.361 1.00 0.00 H ATOM 296 HG LEU A 22 7.232 8.974 -1.814 1.00 0.00 H ATOM 297 HD21 LEU A 22 7.319 7.162 -4.238 1.00 0.00 H ATOM 298 HD22 LEU A 22 6.800 8.865 -4.211 1.00 0.00 H ATOM 299 HD23 LEU A 22 8.489 8.443 -3.834 1.00 0.00 H ATOM 300 HD11 LEU A 22 7.740 6.779 -0.613 1.00 0.00 H ATOM 301 HD12 LEU A 22 7.730 5.943 -2.185 1.00 0.00 H ATOM 302 HD13 LEU A 22 9.004 7.131 -1.817 1.00 0.00 H ATOM 303 H LEU A 22 4.120 9.914 -1.244 1.00 0.00 H ATOM 304 N CYS A 23 3.042 6.679 -3.365 1.00 0.00 N ATOM 305 CA CYS A 23 2.111 5.546 -3.329 1.00 0.00 C ATOM 306 C CYS A 23 2.871 4.296 -2.869 1.00 0.00 C ATOM 307 O CYS A 23 3.817 3.840 -3.479 1.00 0.00 O ATOM 308 CB CYS A 23 1.528 5.290 -4.729 1.00 0.00 C ATOM 309 SG CYS A 23 0.473 6.639 -5.377 1.00 0.00 S ATOM 310 HA CYS A 23 1.297 5.773 -2.641 1.00 0.00 H ATOM 311 HB2 CYS A 23 0.929 4.381 -4.686 1.00 0.00 H ATOM 312 HB3 CYS A 23 2.357 5.145 -5.421 1.00 0.00 H ATOM 313 H CYS A 23 3.619 6.782 -4.224 1.00 0.00 H ATOM 314 N TYR A 24 2.418 3.845 -1.703 1.00 0.00 N ATOM 315 CA TYR A 24 2.708 2.572 -0.997 1.00 0.00 C ATOM 316 C TYR A 24 3.294 1.278 -1.594 1.00 0.00 C ATOM 317 O TYR A 24 4.502 1.067 -1.522 1.00 0.00 O ATOM 318 CB TYR A 24 1.457 2.296 -0.143 1.00 0.00 C ATOM 319 CG TYR A 24 0.123 2.819 -0.709 1.00 0.00 C ATOM 320 CD1 TYR A 24 -0.329 2.346 -1.966 1.00 0.00 C ATOM 321 CD2 TYR A 24 -0.380 4.032 -0.183 1.00 0.00 C ATOM 322 CE1 TYR A 24 -1.206 3.140 -2.715 1.00 0.00 C ATOM 323 CE2 TYR A 24 -1.275 4.812 -0.912 1.00 0.00 C ATOM 324 CZ TYR A 24 -1.655 4.361 -2.190 1.00 0.00 C ATOM 325 OH TYR A 24 -2.498 5.115 -2.931 1.00 0.00 O ATOM 326 HA TYR A 24 3.661 2.817 -0.529 1.00 0.00 H ATOM 327 HB3 TYR A 24 1.610 2.759 0.832 1.00 0.00 H ATOM 328 HB2 TYR A 24 1.368 1.216 -0.022 1.00 0.00 H ATOM 329 HD2 TYR A 24 -0.063 4.361 0.807 1.00 0.00 H ATOM 330 HE2 TYR A 24 -1.669 5.743 -0.505 1.00 0.00 H ATOM 331 HE1 TYR A 24 -1.538 2.811 -3.700 1.00 0.00 H ATOM 332 HD1 TYR A 24 0.001 1.378 -2.344 1.00 0.00 H ATOM 333 HH TYR A 24 -3.353 5.228 -2.444 1.00 0.00 H ATOM 334 H TYR A 24 1.760 4.482 -1.210 1.00 0.00 H ATOM 335 N ARG A 25 2.441 0.429 -2.169 1.00 0.00 N ATOM 336 CA ARG A 25 2.382 -1.038 -1.901 1.00 0.00 C ATOM 337 C ARG A 25 3.442 -1.558 -0.915 1.00 0.00 C ATOM 338 O ARG A 25 4.478 -2.103 -1.297 1.00 0.00 O ATOM 339 CB ARG A 25 2.281 -1.881 -3.179 1.00 0.00 C ATOM 340 CG ARG A 25 2.071 -3.367 -2.858 1.00 0.00 C ATOM 341 CD ARG A 25 2.687 -4.282 -3.926 1.00 0.00 C ATOM 342 NE ARG A 25 3.193 -5.527 -3.329 1.00 0.00 N ATOM 343 CZ ARG A 25 4.446 -5.991 -3.418 1.00 0.00 C ATOM 344 NH1 ARG A 25 5.426 -5.302 -3.985 1.00 0.00 N ATOM 345 NH2 ARG A 25 4.696 -7.286 -3.237 1.00 0.00 N ATOM 346 HA ARG A 25 1.439 -1.174 -1.372 1.00 0.00 H ATOM 347 HB2 ARG A 25 1.440 -1.524 -3.773 1.00 0.00 H ATOM 348 HB3 ARG A 25 3.202 -1.769 -3.751 1.00 0.00 H ATOM 349 HG2 ARG A 25 2.534 -3.588 -1.896 1.00 0.00 H ATOM 350 HG3 ARG A 25 1.001 -3.566 -2.799 1.00 0.00 H ATOM 351 HD2 ARG A 25 3.511 -3.759 -4.411 1.00 0.00 H ATOM 352 HD3 ARG A 25 1.926 -4.526 -4.668 1.00 0.00 H ATOM 353 HE ARG A 25 2.515 -6.100 -2.788 1.00 0.00 H ATOM 354 HH12 ARG A 25 6.384 -5.703 -4.031 1.00 0.00 H ATOM 355 HH11 ARG A 25 5.237 -4.360 -4.384 1.00 0.00 H ATOM 356 HH22 ARG A 25 5.671 -7.642 -3.307 1.00 0.00 H ATOM 357 HH21 ARG A 25 3.917 -7.941 -3.026 1.00 0.00 H ATOM 358 H ARG A 25 1.765 0.819 -2.857 1.00 0.00 H ATOM 359 N LYS A 26 3.124 -1.403 0.372 1.00 0.00 N ATOM 360 CA LYS A 26 3.984 -1.898 1.466 1.00 0.00 C ATOM 361 C LYS A 26 3.508 -3.300 1.876 1.00 0.00 C ATOM 362 O LYS A 26 2.572 -3.467 2.648 1.00 0.00 O ATOM 363 CB LYS A 26 3.993 -0.960 2.676 1.00 0.00 C ATOM 364 CG LYS A 26 4.349 0.473 2.280 1.00 0.00 C ATOM 365 CD LYS A 26 4.425 1.389 3.494 1.00 0.00 C ATOM 366 CE LYS A 26 4.443 2.843 3.015 1.00 0.00 C ATOM 367 NZ LYS A 26 4.818 3.742 4.118 1.00 0.00 N ATOM 368 HA LYS A 26 5.010 -1.939 1.100 1.00 0.00 H ATOM 369 HB2 LYS A 26 3.004 -0.965 3.134 1.00 0.00 H ATOM 370 HB3 LYS A 26 4.727 -1.320 3.397 1.00 0.00 H ATOM 371 HG2 LYS A 26 5.316 0.471 1.777 1.00 0.00 H ATOM 372 HG3 LYS A 26 3.587 0.851 1.598 1.00 0.00 H ATOM 373 HD2 LYS A 26 3.557 1.224 4.133 1.00 0.00 H ATOM 374 HD3 LYS A 26 5.334 1.177 4.057 1.00 0.00 H ATOM 375 HE2 LYS A 26 3.452 3.114 2.652 1.00 0.00 H ATOM 376 HE3 LYS A 26 5.166 2.946 2.206 1.00 0.00 H ATOM 377 HZ1 LYS A 26 4.128 3.648 4.890 1.00 0.00 H ATOM 378 HZ2 LYS A 26 5.765 3.487 4.465 1.00 0.00 H ATOM 379 HZ3 LYS A 26 4.825 4.724 3.776 1.00 0.00 H ATOM 380 H LYS A 26 2.238 -0.916 0.613 1.00 0.00 H ATOM 381 N MET A 27 4.110 -4.273 1.198 1.00 0.00 N ATOM 382 CA MET A 27 3.783 -5.695 1.335 1.00 0.00 C ATOM 383 C MET A 27 4.953 -6.508 1.912 1.00 0.00 C ATOM 384 O MET A 27 6.135 -6.285 1.630 1.00 0.00 O ATOM 385 CB MET A 27 3.364 -6.241 -0.030 1.00 0.00 C ATOM 386 CG MET A 27 2.772 -7.652 0.060 1.00 0.00 C ATOM 387 SD MET A 27 2.065 -8.255 -1.510 1.00 0.00 S ATOM 388 CE MET A 27 1.317 -9.735 -0.871 1.00 0.00 C ATOM 389 HA MET A 27 2.960 -5.793 2.043 1.00 0.00 H ATOM 390 HB2 MET A 27 2.616 -5.574 -0.459 1.00 0.00 H ATOM 391 HB3 MET A 27 4.239 -6.269 -0.679 1.00 0.00 H ATOM 392 HG2 MET A 27 1.984 -7.647 0.813 1.00 0.00 H ATOM 393 HG3 MET A 27 3.562 -8.337 0.367 1.00 0.00 H ATOM 394 HE1 MET A 27 2.088 -10.371 -0.436 1.00 0.00 H ATOM 395 HE2 MET A 27 0.587 -9.471 -0.106 1.00 0.00 H ATOM 396 HE3 MET A 27 0.819 -10.268 -1.681 1.00 0.00 H ATOM 397 H MET A 27 4.860 -4.008 0.528 1.00 0.00 H ATOM 398 N TRP A 28 4.553 -7.424 2.778 1.00 0.00 N ATOM 399 CA TRP A 28 5.382 -8.473 3.381 1.00 0.00 C ATOM 400 C TRP A 28 4.492 -9.716 3.583 1.00 0.00 C ATOM 401 O TRP A 28 3.478 -9.846 2.891 1.00 0.00 O ATOM 402 CB TRP A 28 6.074 -7.950 4.648 1.00 0.00 C ATOM 403 CG TRP A 28 5.173 -7.476 5.798 1.00 0.00 C ATOM 404 CD1 TRP A 28 5.205 -8.023 7.005 1.00 0.00 C ATOM 405 CD2 TRP A 28 4.575 -6.223 5.938 1.00 0.00 C ATOM 406 NE1 TRP A 28 4.715 -7.177 7.923 1.00 0.00 N ATOM 407 CE2 TRP A 28 4.328 -6.068 7.317 1.00 0.00 C ATOM 408 CE3 TRP A 28 4.250 -5.178 5.046 1.00 0.00 C ATOM 409 CZ2 TRP A 28 3.778 -4.871 7.828 1.00 0.00 C ATOM 410 CZ3 TRP A 28 3.695 -3.985 5.544 1.00 0.00 C ATOM 411 CH2 TRP A 28 3.466 -3.828 6.931 1.00 0.00 C ATOM 412 HA TRP A 28 6.206 -8.770 2.732 1.00 0.00 H ATOM 413 HB2 TRP A 28 6.702 -8.753 5.033 1.00 0.00 H ATOM 414 HB3 TRP A 28 6.701 -7.108 4.355 1.00 0.00 H ATOM 415 HE1 TRP A 28 4.650 -7.363 8.944 1.00 0.00 H ATOM 416 HD1 TRP A 28 5.579 -9.024 7.222 1.00 0.00 H ATOM 417 HZ2 TRP A 28 3.598 -4.756 8.897 1.00 0.00 H ATOM 418 HH2 TRP A 28 3.046 -2.896 7.309 1.00 0.00 H ATOM 419 HZ3 TRP A 28 3.440 -3.178 4.858 1.00 0.00 H ATOM 420 HE3 TRP A 28 4.428 -5.295 3.977 1.00 0.00 H ATOM 421 H TRP A 28 3.552 -7.398 3.059 1.00 0.00 H ATOM 422 N CYS A 29 4.849 -10.600 4.509 1.00 0.00 N ATOM 423 CA CYS A 29 4.136 -11.871 4.793 1.00 0.00 C ATOM 424 C CYS A 29 2.637 -11.891 4.417 1.00 0.00 C ATOM 425 O CYS A 29 1.847 -11.204 5.058 1.00 0.00 O ATOM 426 CB CYS A 29 4.370 -12.264 6.257 1.00 0.00 C ATOM 427 SG CYS A 29 6.029 -12.948 6.616 1.00 0.00 S ATOM 428 HA CYS A 29 4.567 -12.621 4.129 1.00 0.00 H ATOM 429 HB2 CYS A 29 3.628 -13.015 6.529 1.00 0.00 H ATOM 430 HB3 CYS A 29 4.229 -11.376 6.873 1.00 0.00 H ATOM 431 H CYS A 29 5.692 -10.385 5.078 1.00 0.00 H ATOM 432 N ASP A 30 2.112 -12.699 3.489 1.00 0.00 N ATOM 433 CA ASP A 30 2.577 -13.940 2.827 1.00 0.00 C ATOM 434 C ASP A 30 2.504 -15.088 3.841 1.00 0.00 C ATOM 435 O ASP A 30 3.336 -15.209 4.732 1.00 0.00 O ATOM 436 CB ASP A 30 3.921 -13.893 2.081 1.00 0.00 C ATOM 437 CG ASP A 30 3.966 -12.812 0.998 1.00 0.00 C ATOM 438 OD1 ASP A 30 3.041 -12.799 0.152 1.00 0.00 O ATOM 439 OD2 ASP A 30 4.918 -12.015 1.066 1.00 0.00 O ATOM 440 HA ASP A 30 1.892 -14.100 1.994 1.00 0.00 H ATOM 441 HB2 ASP A 30 4.713 -13.695 2.803 1.00 0.00 H ATOM 442 HB3 ASP A 30 4.093 -14.862 1.612 1.00 0.00 H ATOM 443 H ASP A 30 1.175 -12.389 3.162 1.00 0.00 H ATOM 444 N ALA A 31 1.309 -15.669 3.846 1.00 0.00 N ATOM 445 CA ALA A 31 0.772 -16.536 4.921 1.00 0.00 C ATOM 446 C ALA A 31 0.665 -15.841 6.299 1.00 0.00 C ATOM 447 O ALA A 31 0.377 -16.482 7.310 1.00 0.00 O ATOM 448 CB ALA A 31 1.556 -17.851 5.032 1.00 0.00 C ATOM 449 HA ALA A 31 -0.251 -16.762 4.619 1.00 0.00 H ATOM 450 HB1 ALA A 31 1.491 -18.392 4.088 1.00 0.00 H ATOM 451 HB2 ALA A 31 2.600 -17.632 5.255 1.00 0.00 H ATOM 452 HB3 ALA A 31 1.132 -18.459 5.831 1.00 0.00 H ATOM 453 H ALA A 31 0.696 -15.500 3.023 1.00 0.00 H ATOM 454 N PHE A 32 0.684 -14.499 6.295 1.00 0.00 N ATOM 455 CA PHE A 32 1.161 -13.625 7.397 1.00 0.00 C ATOM 456 C PHE A 32 2.147 -14.343 8.331 1.00 0.00 C ATOM 457 O PHE A 32 1.961 -14.484 9.549 1.00 0.00 O ATOM 458 CB PHE A 32 0.041 -12.825 8.086 1.00 0.00 C ATOM 459 CG PHE A 32 -0.940 -13.601 8.966 1.00 0.00 C ATOM 460 CD1 PHE A 32 -1.994 -14.306 8.359 1.00 0.00 C ATOM 461 CD2 PHE A 32 -0.928 -13.365 10.353 1.00 0.00 C ATOM 462 CE1 PHE A 32 -3.068 -14.776 9.137 1.00 0.00 C ATOM 463 CE2 PHE A 32 -2.010 -13.828 11.148 1.00 0.00 C ATOM 464 CZ PHE A 32 -3.069 -14.529 10.525 1.00 0.00 C ATOM 465 HA PHE A 32 1.758 -12.838 6.937 1.00 0.00 H ATOM 466 HB2 PHE A 32 0.516 -12.070 8.713 1.00 0.00 H ATOM 467 HB3 PHE A 32 -0.539 -12.334 7.304 1.00 0.00 H ATOM 468 HD2 PHE A 32 -0.096 -12.832 10.813 1.00 0.00 H ATOM 469 HE2 PHE A 32 -2.024 -13.646 12.223 1.00 0.00 H ATOM 470 HZ PHE A 32 -3.903 -14.885 11.130 1.00 0.00 H ATOM 471 HE1 PHE A 32 -3.888 -15.324 8.673 1.00 0.00 H ATOM 472 HD1 PHE A 32 -1.979 -14.489 7.285 1.00 0.00 H ATOM 473 H PHE A 32 0.331 -14.026 5.439 1.00 0.00 H ATOM 474 N CYS A 33 3.001 -15.027 7.590 1.00 0.00 N ATOM 475 CA CYS A 33 3.944 -16.067 7.997 1.00 0.00 C ATOM 476 C CYS A 33 3.634 -16.906 9.249 1.00 0.00 C ATOM 477 O CYS A 33 4.485 -17.167 10.109 1.00 0.00 O ATOM 478 CB CYS A 33 5.420 -15.610 7.879 1.00 0.00 C ATOM 479 SG CYS A 33 5.768 -13.888 8.409 1.00 0.00 S ATOM 480 HA CYS A 33 3.769 -16.829 7.238 1.00 0.00 H ATOM 481 HB2 CYS A 33 5.717 -15.705 6.835 1.00 0.00 H ATOM 482 HB3 CYS A 33 6.027 -16.278 8.491 1.00 0.00 H ATOM 483 H CYS A 33 3.002 -14.793 6.577 1.00 0.00 H ATOM 484 N SER A 34 2.412 -17.424 9.194 1.00 0.00 N ATOM 485 CA SER A 34 1.747 -18.222 10.241 1.00 0.00 C ATOM 486 C SER A 34 0.480 -18.920 9.696 1.00 0.00 C ATOM 487 O SER A 34 0.609 -19.913 8.981 1.00 0.00 O ATOM 488 CB SER A 34 1.462 -17.383 11.504 1.00 0.00 C ATOM 489 OG SER A 34 0.562 -16.309 11.221 1.00 0.00 O ATOM 490 HA SER A 34 2.436 -19.010 10.544 1.00 0.00 H ATOM 491 HB2 SER A 34 2.400 -16.972 11.877 1.00 0.00 H ATOM 492 HB3 SER A 34 1.020 -18.026 12.266 1.00 0.00 H ATOM 493 HG SER A 34 0.960 -15.719 10.533 1.00 0.00 H ATOM 494 H SER A 34 1.869 -17.249 8.324 1.00 0.00 H ATOM 495 N SER A 35 -0.679 -18.273 9.795 1.00 0.00 N ATOM 496 CA SER A 35 -2.011 -18.863 9.505 1.00 0.00 C ATOM 497 C SER A 35 -2.822 -18.164 8.391 1.00 0.00 C ATOM 498 O SER A 35 -3.987 -17.800 8.561 1.00 0.00 O ATOM 499 CB SER A 35 -2.795 -18.938 10.827 1.00 0.00 C ATOM 500 OG SER A 35 -2.917 -17.622 11.375 1.00 0.00 O ATOM 501 HA SER A 35 -1.840 -19.857 9.091 1.00 0.00 H ATOM 502 HB2 SER A 35 -2.264 -19.579 11.531 1.00 0.00 H ATOM 503 HB3 SER A 35 -3.787 -19.349 10.640 1.00 0.00 H ATOM 504 HG SER A 35 -3.399 -17.042 10.734 1.00 0.00 H ATOM 505 H SER A 35 -0.650 -17.279 10.098 1.00 0.00 H ATOM 506 N ARG A 36 -2.107 -17.837 7.314 1.00 0.00 N ATOM 507 CA ARG A 36 -2.607 -17.409 5.981 1.00 0.00 C ATOM 508 C ARG A 36 -3.266 -16.041 5.791 1.00 0.00 C ATOM 509 O ARG A 36 -4.436 -15.810 6.091 1.00 0.00 O ATOM 510 CB ARG A 36 -3.314 -18.525 5.215 1.00 0.00 C ATOM 511 CG ARG A 36 -2.227 -19.381 4.544 1.00 0.00 C ATOM 512 CD ARG A 36 -2.813 -20.468 3.636 1.00 0.00 C ATOM 513 NE ARG A 36 -3.454 -19.890 2.438 1.00 0.00 N ATOM 514 CZ ARG A 36 -3.149 -20.148 1.160 1.00 0.00 C ATOM 515 NH1 ARG A 36 -2.375 -21.173 0.817 1.00 0.00 N ATOM 516 NH2 ARG A 36 -3.811 -19.549 0.189 1.00 0.00 N ATOM 517 HA ARG A 36 -1.646 -17.194 5.514 1.00 0.00 H ATOM 518 HB2 ARG A 36 -3.899 -19.136 5.902 1.00 0.00 H ATOM 519 HB3 ARG A 36 -3.973 -18.099 4.459 1.00 0.00 H ATOM 520 HG2 ARG A 36 -1.590 -18.731 3.945 1.00 0.00 H ATOM 521 HG3 ARG A 36 -1.629 -19.858 5.320 1.00 0.00 H ATOM 522 HD2 ARG A 36 -3.557 -21.034 4.197 1.00 0.00 H ATOM 523 HD3 ARG A 36 -2.011 -21.136 3.321 1.00 0.00 H ATOM 524 HE ARG A 36 -4.224 -19.211 2.604 1.00 0.00 H ATOM 525 HH12 ARG A 36 -2.156 -21.347 -0.185 1.00 0.00 H ATOM 526 HH11 ARG A 36 -1.988 -21.801 1.550 1.00 0.00 H ATOM 527 HH22 ARG A 36 -3.573 -19.750 -0.803 1.00 0.00 H ATOM 528 HH21 ARG A 36 -4.571 -18.876 0.416 1.00 0.00 H ATOM 529 H ARG A 36 -1.074 -17.888 7.419 1.00 0.00 H ATOM 530 N GLY A 37 -2.433 -15.145 5.252 1.00 0.00 N ATOM 531 CA GLY A 37 -2.839 -13.786 4.798 1.00 0.00 C ATOM 532 C GLY A 37 -1.685 -13.022 4.131 1.00 0.00 C ATOM 533 O GLY A 37 -0.551 -13.496 4.095 1.00 0.00 O ATOM 534 HA3 GLY A 37 -3.183 -13.217 5.661 1.00 0.00 H ATOM 535 HA2 GLY A 37 -3.654 -13.885 4.081 1.00 0.00 H ATOM 536 H GLY A 37 -1.435 -15.415 5.142 1.00 0.00 H ATOM 537 N LYS A 38 -2.028 -11.948 3.431 1.00 0.00 N ATOM 538 CA LYS A 38 -1.043 -11.060 2.767 1.00 0.00 C ATOM 539 C LYS A 38 -1.051 -9.639 3.350 1.00 0.00 C ATOM 540 O LYS A 38 -1.832 -8.800 2.932 1.00 0.00 O ATOM 541 CB LYS A 38 -1.366 -11.041 1.265 1.00 0.00 C ATOM 542 CG LYS A 38 -1.099 -12.359 0.552 1.00 0.00 C ATOM 543 CD LYS A 38 -1.560 -12.255 -0.907 1.00 0.00 C ATOM 544 CE LYS A 38 -0.990 -13.373 -1.777 1.00 0.00 C ATOM 545 NZ LYS A 38 0.462 -13.237 -1.899 1.00 0.00 N ATOM 546 HA LYS A 38 -0.039 -11.447 2.939 1.00 0.00 H ATOM 547 HB2 LYS A 38 -2.421 -10.795 1.145 1.00 0.00 H ATOM 548 HB3 LYS A 38 -0.758 -10.268 0.794 1.00 0.00 H ATOM 549 HG2 LYS A 38 -0.032 -12.578 0.581 1.00 0.00 H ATOM 550 HG3 LYS A 38 -1.647 -13.159 1.050 1.00 0.00 H ATOM 551 HD2 LYS A 38 -2.648 -12.309 -0.936 1.00 0.00 H ATOM 552 HD3 LYS A 38 -1.234 -11.296 -1.310 1.00 0.00 H ATOM 553 HE2 LYS A 38 -1.440 -13.321 -2.768 1.00 0.00 H ATOM 554 HE3 LYS A 38 -1.224 -14.336 -1.323 1.00 0.00 H ATOM 555 HZ1 LYS A 38 0.688 -12.320 -2.335 1.00 0.00 H ATOM 556 HZ2 LYS A 38 0.894 -13.289 -0.955 1.00 0.00 H ATOM 557 HZ3 LYS A 38 0.832 -14.006 -2.494 1.00 0.00 H ATOM 558 H LYS A 38 -3.038 -11.717 3.344 1.00 0.00 H ATOM 559 N VAL A 39 -0.151 -9.396 4.308 1.00 0.00 N ATOM 560 CA VAL A 39 0.001 -8.093 4.989 1.00 0.00 C ATOM 561 C VAL A 39 0.518 -7.049 3.988 1.00 0.00 C ATOM 562 O VAL A 39 1.680 -7.061 3.588 1.00 0.00 O ATOM 563 CB VAL A 39 0.975 -8.124 6.191 1.00 0.00 C ATOM 564 CG1 VAL A 39 0.805 -6.851 7.025 1.00 0.00 C ATOM 565 CG2 VAL A 39 0.738 -9.294 7.161 1.00 0.00 C ATOM 566 HA VAL A 39 -0.987 -7.839 5.373 1.00 0.00 H ATOM 567 HB VAL A 39 1.966 -8.225 5.749 1.00 0.00 H ATOM 568 HG11 VAL A 39 1.022 -5.981 6.406 1.00 0.00 H ATOM 569 HG12 VAL A 39 -0.220 -6.792 7.391 1.00 0.00 H ATOM 570 HG13 VAL A 39 1.493 -6.877 7.870 1.00 0.00 H ATOM 571 HG21 VAL A 39 -0.272 -9.229 7.567 1.00 0.00 H ATOM 572 HG22 VAL A 39 0.856 -10.237 6.627 1.00 0.00 H ATOM 573 HG23 VAL A 39 1.462 -9.242 7.974 1.00 0.00 H ATOM 574 H VAL A 39 0.481 -10.172 4.592 1.00 0.00 H ATOM 575 N VAL A 40 -0.462 -6.342 3.458 1.00 0.00 N ATOM 576 CA VAL A 40 -0.238 -5.172 2.599 1.00 0.00 C ATOM 577 C VAL A 40 -0.874 -3.961 3.286 1.00 0.00 C ATOM 578 O VAL A 40 -2.085 -3.859 3.465 1.00 0.00 O ATOM 579 CB VAL A 40 -0.839 -5.335 1.190 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.220 -4.337 0.219 1.00 0.00 C ATOM 581 CG2 VAL A 40 -0.597 -6.709 0.580 1.00 0.00 C ATOM 582 HA VAL A 40 0.837 -5.047 2.465 1.00 0.00 H ATOM 583 HB VAL A 40 -1.909 -5.176 1.328 1.00 0.00 H ATOM 584 HG11 VAL A 40 -0.414 -3.323 0.569 1.00 0.00 H ATOM 585 HG12 VAL A 40 0.856 -4.504 0.164 1.00 0.00 H ATOM 586 HG13 VAL A 40 -0.661 -4.472 -0.769 1.00 0.00 H ATOM 587 HG21 VAL A 40 0.476 -6.886 0.500 1.00 0.00 H ATOM 588 HG22 VAL A 40 -1.046 -7.472 1.216 1.00 0.00 H ATOM 589 HG23 VAL A 40 -1.048 -6.750 -0.411 1.00 0.00 H ATOM 590 H VAL A 40 -1.442 -6.627 3.659 1.00 0.00 H ATOM 591 N GLU A 41 0.021 -3.128 3.793 1.00 0.00 N ATOM 592 CA GLU A 41 -0.297 -1.817 4.368 1.00 0.00 C ATOM 593 C GLU A 41 -0.184 -0.787 3.242 1.00 0.00 C ATOM 594 O GLU A 41 0.833 -0.686 2.557 1.00 0.00 O ATOM 595 CB GLU A 41 0.694 -1.501 5.504 1.00 0.00 C ATOM 596 CG GLU A 41 0.508 -0.121 6.161 1.00 0.00 C ATOM 597 CD GLU A 41 -0.888 0.085 6.750 1.00 0.00 C ATOM 598 OE1 GLU A 41 -1.132 -0.448 7.857 1.00 0.00 O ATOM 599 OE2 GLU A 41 -1.688 0.750 6.063 1.00 0.00 O ATOM 600 HA GLU A 41 -1.303 -1.800 4.788 1.00 0.00 H ATOM 601 HB2 GLU A 41 0.579 -2.262 6.276 1.00 0.00 H ATOM 602 HB3 GLU A 41 1.704 -1.549 5.096 1.00 0.00 H ATOM 603 HG2 GLU A 41 1.240 -0.017 6.962 1.00 0.00 H ATOM 604 HG3 GLU A 41 0.683 0.647 5.408 1.00 0.00 H ATOM 605 H GLU A 41 1.018 -3.423 3.783 1.00 0.00 H ATOM 606 N LEU A 42 -1.287 -0.084 3.007 1.00 0.00 N ATOM 607 CA LEU A 42 -1.274 0.948 1.963 1.00 0.00 C ATOM 608 C LEU A 42 -1.184 2.378 2.519 1.00 0.00 C ATOM 609 O LEU A 42 -2.097 3.191 2.423 1.00 0.00 O ATOM 610 CB LEU A 42 -2.332 0.710 0.860 1.00 0.00 C ATOM 611 CG LEU A 42 -2.187 -0.660 0.168 1.00 0.00 C ATOM 612 CD1 LEU A 42 -3.211 -0.814 -0.964 1.00 0.00 C ATOM 613 CD2 LEU A 42 -0.818 -0.849 -0.465 1.00 0.00 C ATOM 614 HA LEU A 42 -0.331 0.839 1.428 1.00 0.00 H ATOM 615 HB2 LEU A 42 -3.323 0.768 1.311 1.00 0.00 H ATOM 616 HB3 LEU A 42 -2.230 1.492 0.107 1.00 0.00 H ATOM 617 HG LEU A 42 -2.342 -1.399 0.954 1.00 0.00 H ATOM 618 HD21 LEU A 42 -0.656 -0.074 -1.214 1.00 0.00 H ATOM 619 HD22 LEU A 42 -0.050 -0.778 0.305 1.00 0.00 H ATOM 620 HD23 LEU A 42 -0.770 -1.830 -0.938 1.00 0.00 H ATOM 621 HD11 LEU A 42 -4.218 -0.733 -0.555 1.00 0.00 H ATOM 622 HD12 LEU A 42 -3.054 -0.029 -1.704 1.00 0.00 H ATOM 623 HD13 LEU A 42 -3.086 -1.789 -1.435 1.00 0.00 H ATOM 624 H LEU A 42 -2.151 -0.263 3.557 1.00 0.00 H ATOM 625 N GLY A 43 0.082 2.706 2.785 1.00 0.00 N ATOM 626 CA GLY A 43 0.526 3.948 3.439 1.00 0.00 C ATOM 627 C GLY A 43 1.076 5.000 2.462 1.00 0.00 C ATOM 628 O GLY A 43 1.960 4.739 1.654 1.00 0.00 O ATOM 629 HA3 GLY A 43 1.310 3.699 4.154 1.00 0.00 H ATOM 630 HA2 GLY A 43 -0.323 4.381 3.969 1.00 0.00 H ATOM 631 H GLY A 43 0.818 2.026 2.506 1.00 0.00 H ATOM 632 N CYS A 44 0.420 6.157 2.482 1.00 0.00 N ATOM 633 CA CYS A 44 0.861 7.329 1.677 1.00 0.00 C ATOM 634 C CYS A 44 2.159 7.893 2.266 1.00 0.00 C ATOM 635 O CYS A 44 2.194 8.538 3.319 1.00 0.00 O ATOM 636 CB CYS A 44 -0.239 8.386 1.564 1.00 0.00 C ATOM 637 SG CYS A 44 -1.724 7.840 0.661 1.00 0.00 S ATOM 638 HA CYS A 44 1.063 7.003 0.657 1.00 0.00 H ATOM 639 HB2 CYS A 44 0.174 9.253 1.048 1.00 0.00 H ATOM 640 HB3 CYS A 44 -0.540 8.673 2.571 1.00 0.00 H ATOM 641 H CYS A 44 -0.427 6.246 3.079 1.00 0.00 H ATOM 642 N ALA A 45 3.209 7.729 1.475 1.00 0.00 N ATOM 643 CA ALA A 45 4.612 7.719 1.934 1.00 0.00 C ATOM 644 C ALA A 45 5.454 8.900 1.418 1.00 0.00 C ATOM 645 O ALA A 45 5.046 9.611 0.511 1.00 0.00 O ATOM 646 CB ALA A 45 5.174 6.385 1.459 1.00 0.00 C ATOM 647 HA ALA A 45 4.651 7.834 3.017 1.00 0.00 H ATOM 648 HB1 ALA A 45 4.600 5.572 1.902 1.00 0.00 H ATOM 649 HB2 ALA A 45 5.106 6.330 0.373 1.00 0.00 H ATOM 650 HB3 ALA A 45 6.217 6.303 1.763 1.00 0.00 H ATOM 651 H ALA A 45 3.032 7.598 0.459 1.00 0.00 H ATOM 652 N ALA A 46 6.482 9.253 2.194 1.00 0.00 N ATOM 653 CA ALA A 46 7.475 10.286 1.806 1.00 0.00 C ATOM 654 C ALA A 46 8.651 9.804 0.915 1.00 0.00 C ATOM 655 O ALA A 46 9.014 10.471 -0.048 1.00 0.00 O ATOM 656 CB ALA A 46 8.009 10.980 3.062 1.00 0.00 C ATOM 657 HA ALA A 46 6.926 10.980 1.169 1.00 0.00 H ATOM 658 HB1 ALA A 46 7.183 11.452 3.594 1.00 0.00 H ATOM 659 HB2 ALA A 46 8.485 10.243 3.708 1.00 0.00 H ATOM 660 HB3 ALA A 46 8.738 11.738 2.775 1.00 0.00 H ATOM 661 H ALA A 46 6.592 8.782 3.114 1.00 0.00 H ATOM 662 N THR A 47 9.300 8.713 1.333 1.00 0.00 N ATOM 663 CA THR A 47 10.426 8.098 0.599 1.00 0.00 C ATOM 664 C THR A 47 10.488 6.614 0.976 1.00 0.00 C ATOM 665 O THR A 47 10.070 6.220 2.066 1.00 0.00 O ATOM 666 CB THR A 47 11.797 8.711 0.922 1.00 0.00 C ATOM 667 OG1 THR A 47 11.686 10.113 1.185 1.00 0.00 O ATOM 668 CG2 THR A 47 12.772 8.523 -0.257 1.00 0.00 C ATOM 669 HA THR A 47 10.236 8.268 -0.461 1.00 0.00 H ATOM 670 HB THR A 47 12.174 8.198 1.807 1.00 0.00 H ATOM 671 HG1 THR A 47 11.315 10.569 0.388 1.00 0.00 H ATOM 672 HG23 THR A 47 12.873 7.460 -0.477 1.00 0.00 H ATOM 673 HG21 THR A 47 12.384 9.041 -1.134 1.00 0.00 H ATOM 674 HG22 THR A 47 13.746 8.935 0.009 1.00 0.00 H ATOM 675 H THR A 47 8.996 8.272 2.224 1.00 0.00 H ATOM 676 N CYS A 48 10.919 5.814 0.001 1.00 0.00 N ATOM 677 CA CYS A 48 11.309 4.402 0.222 1.00 0.00 C ATOM 678 C CYS A 48 12.852 4.313 0.135 1.00 0.00 C ATOM 679 O CYS A 48 13.403 4.483 -0.947 1.00 0.00 O ATOM 680 CB CYS A 48 10.628 3.481 -0.794 1.00 0.00 C ATOM 681 SG CYS A 48 10.871 3.969 -2.538 1.00 0.00 S ATOM 682 HA CYS A 48 10.982 4.069 1.207 1.00 0.00 H ATOM 683 HB2 CYS A 48 9.558 3.477 -0.587 1.00 0.00 H ATOM 684 HB3 CYS A 48 11.026 2.475 -0.663 1.00 0.00 H ATOM 685 H CYS A 48 10.985 6.200 -0.962 1.00 0.00 H ATOM 686 N PRO A 49 13.535 4.317 1.293 1.00 0.00 N ATOM 687 CA PRO A 49 15.002 4.225 1.335 1.00 0.00 C ATOM 688 C PRO A 49 15.495 2.805 1.025 1.00 0.00 C ATOM 689 O PRO A 49 14.782 1.823 1.197 1.00 0.00 O ATOM 690 CB PRO A 49 15.369 4.664 2.752 1.00 0.00 C ATOM 691 CG PRO A 49 14.165 4.261 3.584 1.00 0.00 C ATOM 692 CD PRO A 49 12.978 4.503 2.645 1.00 0.00 C ATOM 693 HA PRO A 49 15.476 4.850 0.578 1.00 0.00 H ATOM 694 HD3 PRO A 49 12.182 3.784 2.837 1.00 0.00 H ATOM 695 HD2 PRO A 49 12.590 5.514 2.767 1.00 0.00 H ATOM 696 HG3 PRO A 49 14.086 4.879 4.479 1.00 0.00 H ATOM 697 HG2 PRO A 49 14.225 3.212 3.873 1.00 0.00 H ATOM 698 HB2 PRO A 49 16.267 4.152 3.096 1.00 0.00 H ATOM 699 HB3 PRO A 49 15.527 5.742 2.795 1.00 0.00 H ATOM 700 N SER A 50 16.752 2.737 0.597 1.00 0.00 N ATOM 701 CA SER A 50 17.468 1.455 0.418 1.00 0.00 C ATOM 702 C SER A 50 17.633 0.664 1.722 1.00 0.00 C ATOM 703 O SER A 50 17.584 -0.568 1.763 1.00 0.00 O ATOM 704 CB SER A 50 18.835 1.732 -0.195 1.00 0.00 C ATOM 705 OG SER A 50 19.463 2.758 0.580 1.00 0.00 O ATOM 706 HA SER A 50 16.862 0.835 -0.243 1.00 0.00 H ATOM 707 HB2 SER A 50 18.719 2.065 -1.226 1.00 0.00 H ATOM 708 HB3 SER A 50 19.442 0.827 -0.173 1.00 0.00 H ATOM 709 HG SER A 50 20.356 2.957 0.201 1.00 0.00 H ATOM 710 H SER A 50 17.253 3.622 0.379 1.00 0.00 H ATOM 711 N LYS A 51 17.861 1.449 2.766 1.00 0.00 N ATOM 712 CA LYS A 51 18.012 0.979 4.162 1.00 0.00 C ATOM 713 C LYS A 51 16.664 1.147 4.882 1.00 0.00 C ATOM 714 O LYS A 51 16.357 2.171 5.491 1.00 0.00 O ATOM 715 CB LYS A 51 19.115 1.781 4.859 1.00 0.00 C ATOM 716 CG LYS A 51 20.422 1.767 4.061 1.00 0.00 C ATOM 717 CD LYS A 51 21.270 2.990 4.407 1.00 0.00 C ATOM 718 CE LYS A 51 22.249 3.263 3.264 1.00 0.00 C ATOM 719 NZ LYS A 51 23.089 4.417 3.622 1.00 0.00 N ATOM 720 HA LYS A 51 18.298 -0.073 4.183 1.00 0.00 H ATOM 721 HB2 LYS A 51 18.782 2.813 4.973 1.00 0.00 H ATOM 722 HB3 LYS A 51 19.298 1.348 5.843 1.00 0.00 H ATOM 723 HG2 LYS A 51 20.981 0.862 4.302 1.00 0.00 H ATOM 724 HG3 LYS A 51 20.193 1.778 2.995 1.00 0.00 H ATOM 725 HD2 LYS A 51 20.622 3.855 4.547 1.00 0.00 H ATOM 726 HD3 LYS A 51 21.825 2.801 5.326 1.00 0.00 H ATOM 727 HE2 LYS A 51 21.695 3.482 2.351 1.00 0.00 H ATOM 728 HE3 LYS A 51 22.878 2.388 3.104 1.00 0.00 H ATOM 729 HZ1 LYS A 51 22.485 5.250 3.775 1.00 0.00 H ATOM 730 HZ2 LYS A 51 23.615 4.204 4.493 1.00 0.00 H ATOM 731 HZ3 LYS A 51 23.758 4.610 2.850 1.00 0.00 H ATOM 732 H LYS A 51 17.940 2.471 2.591 1.00 0.00 H ATOM 733 N LYS A 52 15.835 0.131 4.664 1.00 0.00 N ATOM 734 CA LYS A 52 14.446 0.077 5.157 1.00 0.00 C ATOM 735 C LYS A 52 14.212 -1.196 5.993 1.00 0.00 C ATOM 736 O LYS A 52 15.028 -2.125 5.912 1.00 0.00 O ATOM 737 CB LYS A 52 13.468 0.121 3.960 1.00 0.00 C ATOM 738 CG LYS A 52 13.664 -0.987 2.911 1.00 0.00 C ATOM 739 CD LYS A 52 12.419 -1.218 2.045 1.00 0.00 C ATOM 740 CE LYS A 52 12.092 -0.110 1.034 1.00 0.00 C ATOM 741 NZ LYS A 52 12.911 -0.233 -0.183 1.00 0.00 N ATOM 742 HA LYS A 52 14.267 0.940 5.798 1.00 0.00 H ATOM 743 HB2 LYS A 52 12.453 0.040 4.350 1.00 0.00 H ATOM 744 HB3 LYS A 52 13.589 1.083 3.461 1.00 0.00 H ATOM 745 HG2 LYS A 52 14.493 -0.708 2.261 1.00 0.00 H ATOM 746 HG3 LYS A 52 13.906 -1.916 3.427 1.00 0.00 H ATOM 747 HD2 LYS A 52 12.565 -2.145 1.490 1.00 0.00 H ATOM 748 HD3 LYS A 52 11.563 -1.326 2.711 1.00 0.00 H ATOM 749 HE2 LYS A 52 12.285 0.859 1.495 1.00 0.00 H ATOM 750 HE3 LYS A 52 11.039 -0.178 0.761 1.00 0.00 H ATOM 751 HZ1 LYS A 52 13.917 -0.163 0.069 1.00 0.00 H ATOM 752 HZ2 LYS A 52 12.728 -1.153 -0.631 1.00 0.00 H ATOM 753 HZ3 LYS A 52 12.664 0.531 -0.844 1.00 0.00 H ATOM 754 H LYS A 52 16.188 -0.676 4.111 1.00 0.00 H ATOM 755 N PRO A 53 13.158 -1.257 6.810 1.00 0.00 N ATOM 756 CA PRO A 53 12.605 -2.545 7.291 1.00 0.00 C ATOM 757 C PRO A 53 12.193 -3.330 6.033 1.00 0.00 C ATOM 758 O PRO A 53 11.341 -2.862 5.269 1.00 0.00 O ATOM 759 CB PRO A 53 11.402 -2.152 8.144 1.00 0.00 C ATOM 760 CG PRO A 53 11.821 -0.799 8.720 1.00 0.00 C ATOM 761 CD PRO A 53 12.585 -0.124 7.579 1.00 0.00 C ATOM 762 HA PRO A 53 13.288 -3.162 7.875 1.00 0.00 H ATOM 763 HD3 PRO A 53 11.912 0.466 6.957 1.00 0.00 H ATOM 764 HD2 PRO A 53 13.374 0.519 7.968 1.00 0.00 H ATOM 765 HG3 PRO A 53 12.464 -0.932 9.590 1.00 0.00 H ATOM 766 HG2 PRO A 53 10.947 -0.211 9.001 1.00 0.00 H ATOM 767 HB2 PRO A 53 10.503 -2.058 7.535 1.00 0.00 H ATOM 768 HB3 PRO A 53 11.228 -2.880 8.937 1.00 0.00 H ATOM 769 N TYR A 54 12.959 -4.378 5.742 1.00 0.00 N ATOM 770 CA TYR A 54 12.944 -5.050 4.415 1.00 0.00 C ATOM 771 C TYR A 54 11.630 -5.739 4.032 1.00 0.00 C ATOM 772 O TYR A 54 11.352 -6.880 4.387 1.00 0.00 O ATOM 773 CB TYR A 54 14.145 -5.987 4.226 1.00 0.00 C ATOM 774 CG TYR A 54 15.430 -5.193 3.994 1.00 0.00 C ATOM 775 CD1 TYR A 54 15.644 -4.590 2.729 1.00 0.00 C ATOM 776 CD2 TYR A 54 16.269 -4.939 5.095 1.00 0.00 C ATOM 777 CE1 TYR A 54 16.687 -3.659 2.590 1.00 0.00 C ATOM 778 CE2 TYR A 54 17.317 -4.011 4.947 1.00 0.00 C ATOM 779 CZ TYR A 54 17.493 -3.375 3.710 1.00 0.00 C ATOM 780 OH TYR A 54 18.425 -2.394 3.640 1.00 0.00 O ATOM 781 HA TYR A 54 13.032 -4.224 3.710 1.00 0.00 H ATOM 782 HB3 TYR A 54 13.963 -6.630 3.365 1.00 0.00 H ATOM 783 HB2 TYR A 54 14.262 -6.601 5.119 1.00 0.00 H ATOM 784 HD2 TYR A 54 16.110 -5.451 6.044 1.00 0.00 H ATOM 785 HE2 TYR A 54 17.982 -3.790 5.782 1.00 0.00 H ATOM 786 HE1 TYR A 54 16.869 -3.166 1.635 1.00 0.00 H ATOM 787 HD1 TYR A 54 15.011 -4.844 1.879 1.00 0.00 H ATOM 788 HH TYR A 54 18.450 -2.029 2.720 1.00 0.00 H ATOM 789 H TYR A 54 13.598 -4.744 6.476 1.00 0.00 H ATOM 790 N GLU A 55 10.805 -4.910 3.410 1.00 0.00 N ATOM 791 CA GLU A 55 9.506 -5.294 2.846 1.00 0.00 C ATOM 792 C GLU A 55 9.478 -4.894 1.359 1.00 0.00 C ATOM 793 O GLU A 55 10.139 -3.952 0.932 1.00 0.00 O ATOM 794 CB GLU A 55 8.381 -4.567 3.596 1.00 0.00 C ATOM 795 CG GLU A 55 8.386 -4.889 5.089 1.00 0.00 C ATOM 796 CD GLU A 55 7.342 -4.124 5.921 1.00 0.00 C ATOM 797 OE1 GLU A 55 6.893 -3.040 5.470 1.00 0.00 O ATOM 798 OE2 GLU A 55 7.051 -4.614 7.024 1.00 0.00 O ATOM 799 HA GLU A 55 9.361 -6.370 2.946 1.00 0.00 H ATOM 800 HB2 GLU A 55 8.509 -3.492 3.467 1.00 0.00 H ATOM 801 HB3 GLU A 55 7.423 -4.870 3.174 1.00 0.00 H ATOM 802 HG2 GLU A 55 8.197 -5.956 5.206 1.00 0.00 H ATOM 803 HG3 GLU A 55 9.374 -4.651 5.484 1.00 0.00 H ATOM 804 H GLU A 55 11.099 -3.917 3.315 1.00 0.00 H ATOM 805 N GLU A 56 8.646 -5.614 0.617 1.00 0.00 N ATOM 806 CA GLU A 56 8.446 -5.385 -0.826 1.00 0.00 C ATOM 807 C GLU A 56 7.502 -4.198 -1.010 1.00 0.00 C ATOM 808 O GLU A 56 6.358 -4.223 -0.564 1.00 0.00 O ATOM 809 CB GLU A 56 7.903 -6.671 -1.463 1.00 0.00 C ATOM 810 CG GLU A 56 9.020 -7.719 -1.497 1.00 0.00 C ATOM 811 CD GLU A 56 8.490 -9.102 -1.903 1.00 0.00 C ATOM 812 OE1 GLU A 56 8.316 -9.303 -3.122 1.00 0.00 O ATOM 813 OE2 GLU A 56 8.312 -9.915 -0.973 1.00 0.00 O ATOM 814 HA GLU A 56 9.385 -5.142 -1.323 1.00 0.00 H ATOM 815 HB2 GLU A 56 7.067 -7.047 -0.874 1.00 0.00 H ATOM 816 HB3 GLU A 56 7.566 -6.462 -2.478 1.00 0.00 H ATOM 817 HG2 GLU A 56 9.777 -7.406 -2.216 1.00 0.00 H ATOM 818 HG3 GLU A 56 9.469 -7.789 -0.506 1.00 0.00 H ATOM 819 H GLU A 56 8.109 -6.377 1.076 1.00 0.00 H ATOM 820 N VAL A 57 8.187 -3.085 -1.234 1.00 0.00 N ATOM 821 CA VAL A 57 7.560 -1.758 -1.359 1.00 0.00 C ATOM 822 C VAL A 57 7.601 -1.241 -2.812 1.00 0.00 C ATOM 823 O VAL A 57 8.662 -0.957 -3.372 1.00 0.00 O ATOM 824 CB VAL A 57 8.194 -0.785 -0.350 1.00 0.00 C ATOM 825 CG1 VAL A 57 7.715 0.667 -0.500 1.00 0.00 C ATOM 826 CG2 VAL A 57 7.900 -1.227 1.085 1.00 0.00 C ATOM 827 HA VAL A 57 6.501 -1.840 -1.113 1.00 0.00 H ATOM 828 HB VAL A 57 9.262 -0.813 -0.565 1.00 0.00 H ATOM 829 HG11 VAL A 57 7.963 1.029 -1.498 1.00 0.00 H ATOM 830 HG12 VAL A 57 6.636 0.709 -0.355 1.00 0.00 H ATOM 831 HG13 VAL A 57 8.208 1.290 0.247 1.00 0.00 H ATOM 832 HG21 VAL A 57 6.822 -1.247 1.244 1.00 0.00 H ATOM 833 HG22 VAL A 57 8.312 -2.223 1.249 1.00 0.00 H ATOM 834 HG23 VAL A 57 8.358 -0.524 1.781 1.00 0.00 H ATOM 835 H VAL A 57 9.221 -3.152 -1.326 1.00 0.00 H ATOM 836 N THR A 58 6.411 -1.189 -3.399 1.00 0.00 N ATOM 837 CA THR A 58 6.188 -0.516 -4.684 1.00 0.00 C ATOM 838 C THR A 58 5.761 0.920 -4.383 1.00 0.00 C ATOM 839 O THR A 58 4.574 1.301 -4.371 1.00 0.00 O ATOM 840 CB THR A 58 5.142 -1.201 -5.552 1.00 0.00 C ATOM 841 OG1 THR A 58 5.266 -2.611 -5.373 1.00 0.00 O ATOM 842 CG2 THR A 58 5.326 -0.860 -7.034 1.00 0.00 C ATOM 843 HA THR A 58 7.115 -0.551 -5.256 1.00 0.00 H ATOM 844 HB THR A 58 4.154 -0.852 -5.252 1.00 0.00 H ATOM 845 HG1 THR A 58 4.592 -3.074 -5.931 1.00 0.00 H ATOM 846 HG23 THR A 58 5.231 0.217 -7.172 1.00 0.00 H ATOM 847 HG21 THR A 58 6.314 -1.184 -7.360 1.00 0.00 H ATOM 848 HG22 THR A 58 4.563 -1.371 -7.621 1.00 0.00 H ATOM 849 H THR A 58 5.603 -1.644 -2.928 1.00 0.00 H ATOM 850 N CYS A 59 6.834 1.694 -4.308 1.00 0.00 N ATOM 851 CA CYS A 59 6.829 3.112 -3.967 1.00 0.00 C ATOM 852 C CYS A 59 6.837 3.947 -5.253 1.00 0.00 C ATOM 853 O CYS A 59 7.847 4.176 -5.910 1.00 0.00 O ATOM 854 CB CYS A 59 8.009 3.447 -3.054 1.00 0.00 C ATOM 855 SG CYS A 59 9.607 2.714 -3.523 1.00 0.00 S ATOM 856 HA CYS A 59 5.922 3.355 -3.414 1.00 0.00 H ATOM 857 HB2 CYS A 59 7.764 3.101 -2.050 1.00 0.00 H ATOM 858 HB3 CYS A 59 8.128 4.530 -3.045 1.00 0.00 H ATOM 859 H CYS A 59 7.755 1.254 -4.509 1.00 0.00 H ATOM 860 N CYS A 60 5.600 4.178 -5.651 1.00 0.00 N ATOM 861 CA CYS A 60 5.210 4.819 -6.920 1.00 0.00 C ATOM 862 C CYS A 60 4.819 6.281 -6.659 1.00 0.00 C ATOM 863 O CYS A 60 4.691 6.708 -5.516 1.00 0.00 O ATOM 864 CB CYS A 60 4.071 4.009 -7.526 1.00 0.00 C ATOM 865 SG CYS A 60 3.834 4.397 -9.293 1.00 0.00 S ATOM 866 HA CYS A 60 6.037 4.835 -7.630 1.00 0.00 H ATOM 867 HB2 CYS A 60 3.151 4.235 -6.988 1.00 0.00 H ATOM 868 HB3 CYS A 60 4.298 2.948 -7.424 1.00 0.00 H ATOM 869 H CYS A 60 4.833 3.882 -5.014 1.00 0.00 H ATOM 870 N SER A 61 4.681 7.051 -7.732 1.00 0.00 N ATOM 871 CA SER A 61 4.290 8.472 -7.642 1.00 0.00 C ATOM 872 C SER A 61 2.783 8.648 -7.431 1.00 0.00 C ATOM 873 O SER A 61 2.343 8.823 -6.301 1.00 0.00 O ATOM 874 CB SER A 61 4.832 9.235 -8.851 1.00 0.00 C ATOM 875 OG SER A 61 4.458 8.548 -10.046 1.00 0.00 O ATOM 876 HA SER A 61 4.745 8.907 -6.752 1.00 0.00 H ATOM 877 HB2 SER A 61 5.919 9.293 -8.789 1.00 0.00 H ATOM 878 HB3 SER A 61 4.415 10.242 -8.864 1.00 0.00 H ATOM 879 HG SER A 61 4.808 9.040 -10.831 1.00 0.00 H ATOM 880 H SER A 61 4.855 6.638 -8.670 1.00 0.00 H ATOM 881 N THR A 62 2.014 8.406 -8.492 1.00 0.00 N ATOM 882 CA THR A 62 0.543 8.529 -8.536 1.00 0.00 C ATOM 883 C THR A 62 -0.061 7.822 -9.773 1.00 0.00 C ATOM 884 O THR A 62 0.650 7.192 -10.555 1.00 0.00 O ATOM 885 CB THR A 62 0.086 9.998 -8.378 1.00 0.00 C ATOM 886 OG1 THR A 62 -1.323 10.057 -8.159 1.00 0.00 O ATOM 887 CG2 THR A 62 0.510 10.912 -9.536 1.00 0.00 C ATOM 888 HA THR A 62 0.141 7.999 -7.672 1.00 0.00 H ATOM 889 HB THR A 62 0.604 10.388 -7.502 1.00 0.00 H ATOM 890 HG1 THR A 62 -1.601 11.002 -8.060 1.00 0.00 H ATOM 891 HG23 THR A 62 1.589 10.843 -9.676 1.00 0.00 H ATOM 892 HG21 THR A 62 0.003 10.599 -10.449 1.00 0.00 H ATOM 893 HG22 THR A 62 0.238 11.941 -9.303 1.00 0.00 H ATOM 894 H THR A 62 2.491 8.104 -9.365 1.00 0.00 H ATOM 895 N ASP A 63 -1.394 7.812 -9.819 1.00 0.00 N ATOM 896 CA ASP A 63 -2.272 7.239 -10.861 1.00 0.00 C ATOM 897 C ASP A 63 -2.305 5.701 -10.870 1.00 0.00 C ATOM 898 O ASP A 63 -1.778 5.012 -11.739 1.00 0.00 O ATOM 899 CB ASP A 63 -2.031 7.860 -12.249 1.00 0.00 C ATOM 900 CG ASP A 63 -2.453 9.331 -12.228 1.00 0.00 C ATOM 901 OD1 ASP A 63 -3.675 9.576 -12.355 1.00 0.00 O ATOM 902 OD2 ASP A 63 -1.572 10.185 -11.982 1.00 0.00 O ATOM 903 HA ASP A 63 -3.284 7.529 -10.580 1.00 0.00 H ATOM 904 HB2 ASP A 63 -0.973 7.788 -12.501 1.00 0.00 H ATOM 905 HB3 ASP A 63 -2.618 7.324 -12.995 1.00 0.00 H ATOM 906 H ASP A 63 -1.878 8.266 -9.018 1.00 0.00 H ATOM 907 N LYS A 64 -3.052 5.225 -9.880 1.00 0.00 N ATOM 908 CA LYS A 64 -3.285 3.806 -9.525 1.00 0.00 C ATOM 909 C LYS A 64 -1.992 3.043 -9.178 1.00 0.00 C ATOM 910 O LYS A 64 -1.703 2.848 -8.011 1.00 0.00 O ATOM 911 CB LYS A 64 -4.199 3.073 -10.512 1.00 0.00 C ATOM 912 CG LYS A 64 -5.623 3.607 -10.423 1.00 0.00 C ATOM 913 CD LYS A 64 -6.542 2.780 -11.317 1.00 0.00 C ATOM 914 CE LYS A 64 -7.979 3.308 -11.302 1.00 0.00 C ATOM 915 NZ LYS A 64 -8.808 2.428 -12.134 1.00 0.00 N ATOM 916 HA LYS A 64 -3.850 3.828 -8.593 1.00 0.00 H ATOM 917 HB2 LYS A 64 -3.824 3.220 -11.525 1.00 0.00 H ATOM 918 HB3 LYS A 64 -4.200 2.009 -10.277 1.00 0.00 H ATOM 919 HG2 LYS A 64 -5.969 3.545 -9.391 1.00 0.00 H ATOM 920 HG3 LYS A 64 -5.641 4.647 -10.749 1.00 0.00 H ATOM 921 HD2 LYS A 64 -6.164 2.814 -12.339 1.00 0.00 H ATOM 922 HD3 LYS A 64 -6.542 1.748 -10.965 1.00 0.00 H ATOM 923 HE2 LYS A 64 -8.003 4.322 -11.702 1.00 0.00 H ATOM 924 HE3 LYS A 64 -8.358 3.313 -10.280 1.00 0.00 H ATOM 925 HZ1 LYS A 64 -8.441 2.426 -13.107 1.00 0.00 H ATOM 926 HZ2 LYS A 64 -8.780 1.462 -11.749 1.00 0.00 H ATOM 927 HZ3 LYS A 64 -9.788 2.775 -12.133 1.00 0.00 H ATOM 928 H LYS A 64 -3.529 5.932 -9.284 1.00 0.00 H ATOM 929 N CYS A 65 -1.224 2.694 -10.205 1.00 0.00 N ATOM 930 CA CYS A 65 0.127 2.088 -10.148 1.00 0.00 C ATOM 931 C CYS A 65 0.341 0.767 -9.377 1.00 0.00 C ATOM 932 O CYS A 65 0.639 -0.258 -9.990 1.00 0.00 O ATOM 933 CB CYS A 65 1.102 3.184 -9.704 1.00 0.00 C ATOM 934 SG CYS A 65 2.865 2.723 -9.944 1.00 0.00 S ATOM 935 HA CYS A 65 0.312 1.726 -11.159 1.00 0.00 H ATOM 936 HB2 CYS A 65 0.937 3.387 -8.646 1.00 0.00 H ATOM 937 HB3 CYS A 65 0.897 4.085 -10.282 1.00 0.00 H ATOM 938 H CYS A 65 -1.614 2.865 -11.154 1.00 0.00 H ATOM 939 N ASN A 66 0.138 0.780 -8.063 1.00 0.00 N ATOM 940 CA ASN A 66 0.703 -0.189 -7.089 1.00 0.00 C ATOM 941 C ASN A 66 -0.365 -0.914 -6.222 1.00 0.00 C ATOM 942 O ASN A 66 -0.686 -0.464 -5.119 1.00 0.00 O ATOM 943 CB ASN A 66 1.692 0.605 -6.220 1.00 0.00 C ATOM 944 CG ASN A 66 1.035 1.716 -5.375 1.00 0.00 C ATOM 945 OD1 ASN A 66 0.047 2.358 -5.709 1.00 0.00 O ATOM 946 ND2 ASN A 66 1.640 2.037 -4.258 1.00 0.00 N ATOM 947 HA ASN A 66 1.192 -1.000 -7.628 1.00 0.00 H ATOM 948 HB2 ASN A 66 2.190 -0.091 -5.544 1.00 0.00 H ATOM 949 HB3 ASN A 66 2.432 1.065 -6.875 1.00 0.00 H ATOM 950 HD22 ASN A 66 2.481 1.508 -3.952 1.00 0.00 H ATOM 951 HD21 ASN A 66 1.279 2.821 -3.678 1.00 0.00 H ATOM 952 H ASN A 66 -0.469 1.534 -7.684 1.00 0.00 H ATOM 953 N PRO A 67 -0.949 -2.017 -6.714 1.00 0.00 N ATOM 954 CA PRO A 67 -2.021 -2.715 -5.976 1.00 0.00 C ATOM 955 C PRO A 67 -1.529 -3.697 -4.902 1.00 0.00 C ATOM 956 O PRO A 67 -0.458 -4.292 -5.039 1.00 0.00 O ATOM 957 CB PRO A 67 -2.822 -3.421 -7.084 1.00 0.00 C ATOM 958 CG PRO A 67 -1.763 -3.746 -8.135 1.00 0.00 C ATOM 959 CD PRO A 67 -0.811 -2.549 -8.081 1.00 0.00 C ATOM 960 HA PRO A 67 -2.612 -2.011 -5.390 1.00 0.00 H ATOM 961 HD3 PRO A 67 0.215 -2.866 -8.268 1.00 0.00 H ATOM 962 HD2 PRO A 67 -1.097 -1.797 -8.816 1.00 0.00 H ATOM 963 HG3 PRO A 67 -2.213 -3.840 -9.123 1.00 0.00 H ATOM 964 HG2 PRO A 67 -1.240 -4.669 -7.886 1.00 0.00 H ATOM 965 HB2 PRO A 67 -3.290 -4.330 -6.708 1.00 0.00 H ATOM 966 HB3 PRO A 67 -3.588 -2.762 -7.493 1.00 0.00 H ATOM 967 N HIS A 68 -2.358 -3.825 -3.873 1.00 0.00 N ATOM 968 CA HIS A 68 -2.279 -4.846 -2.790 1.00 0.00 C ATOM 969 C HIS A 68 -1.423 -6.128 -3.044 1.00 0.00 C ATOM 970 O HIS A 68 -0.377 -6.252 -2.403 1.00 0.00 O ATOM 971 CB HIS A 68 -3.716 -5.105 -2.251 1.00 0.00 C ATOM 972 CG HIS A 68 -3.946 -6.382 -1.424 1.00 0.00 C ATOM 973 ND1 HIS A 68 -3.590 -7.610 -1.803 1.00 0.00 N ATOM 974 CD2 HIS A 68 -4.098 -6.453 -0.101 1.00 0.00 C ATOM 975 CE1 HIS A 68 -3.358 -8.377 -0.746 1.00 0.00 C ATOM 976 NE2 HIS A 68 -3.705 -7.656 0.311 1.00 0.00 N ATOM 977 HA HIS A 68 -1.660 -4.410 -2.006 1.00 0.00 H ATOM 978 HB2 HIS A 68 -3.987 -4.256 -1.623 1.00 0.00 H ATOM 979 HB3 HIS A 68 -4.385 -5.148 -3.111 1.00 0.00 H ATOM 980 HD2 HIS A 68 -4.481 -5.657 0.538 1.00 0.00 H ATOM 981 HE1 HIS A 68 -2.963 -9.393 -0.746 1.00 0.00 H ATOM 982 H HIS A 68 -3.142 -3.144 -3.817 1.00 0.00 H ATOM 983 N PRO A 69 -1.796 -7.025 -3.971 1.00 0.00 N ATOM 984 CA PRO A 69 -1.269 -8.407 -4.059 1.00 0.00 C ATOM 985 C PRO A 69 0.214 -8.489 -4.423 1.00 0.00 C ATOM 986 O PRO A 69 0.905 -7.497 -4.598 1.00 0.00 O ATOM 987 CB PRO A 69 -2.161 -9.072 -5.120 1.00 0.00 C ATOM 988 CG PRO A 69 -2.493 -7.933 -6.075 1.00 0.00 C ATOM 989 CD PRO A 69 -2.707 -6.767 -5.103 1.00 0.00 C ATOM 990 HA PRO A 69 -1.307 -8.905 -3.090 1.00 0.00 H ATOM 991 HD3 PRO A 69 -2.460 -5.820 -5.583 1.00 0.00 H ATOM 992 HD2 PRO A 69 -3.742 -6.740 -4.761 1.00 0.00 H ATOM 993 HG3 PRO A 69 -3.396 -8.144 -6.648 1.00 0.00 H ATOM 994 HG2 PRO A 69 -1.668 -7.734 -6.759 1.00 0.00 H ATOM 995 HB2 PRO A 69 -1.625 -9.869 -5.636 1.00 0.00 H ATOM 996 HB3 PRO A 69 -3.066 -9.478 -4.669 1.00 0.00 H ATOM 997 N LYS A 70 0.679 -9.729 -4.536 1.00 0.00 N ATOM 998 CA LYS A 70 2.026 -10.008 -5.038 1.00 0.00 C ATOM 999 C LYS A 70 2.163 -9.633 -6.521 1.00 0.00 C ATOM 1000 O LYS A 70 1.451 -10.181 -7.367 1.00 0.00 O ATOM 1001 CB LYS A 70 2.421 -11.455 -4.766 1.00 0.00 C ATOM 1002 CG LYS A 70 3.151 -11.529 -3.439 1.00 0.00 C ATOM 1003 CD LYS A 70 4.564 -10.938 -3.602 1.00 0.00 C ATOM 1004 CE LYS A 70 5.394 -10.957 -2.320 1.00 0.00 C ATOM 1005 NZ LYS A 70 4.746 -10.146 -1.274 1.00 0.00 N ATOM 1006 HA LYS A 70 2.727 -9.377 -4.493 1.00 0.00 H ATOM 1007 HB2 LYS A 70 1.526 -12.077 -4.726 1.00 0.00 H ATOM 1008 HB3 LYS A 70 3.074 -11.811 -5.563 1.00 0.00 H ATOM 1009 HG2 LYS A 70 2.602 -10.960 -2.689 1.00 0.00 H ATOM 1010 HG3 LYS A 70 3.225 -12.569 -3.121 1.00 0.00 H ATOM 1011 HD2 LYS A 70 5.092 -11.514 -4.362 1.00 0.00 H ATOM 1012 HD3 LYS A 70 4.468 -9.904 -3.934 1.00 0.00 H ATOM 1013 HE2 LYS A 70 6.384 -10.551 -2.527 1.00 0.00 H ATOM 1014 HE3 LYS A 70 5.490 -11.985 -1.970 1.00 0.00 H ATOM 1015 HZ1 LYS A 70 4.656 -9.164 -1.604 1.00 0.00 H ATOM 1016 HZ2 LYS A 70 3.802 -10.533 -1.072 1.00 0.00 H ATOM 1017 HZ3 LYS A 70 5.324 -10.171 -0.410 1.00 0.00 H ATOM 1018 H LYS A 70 0.068 -10.524 -4.260 1.00 0.00 H ATOM 1019 N GLN A 71 2.823 -8.498 -6.718 1.00 0.00 N ATOM 1020 CA GLN A 71 3.160 -7.984 -8.067 1.00 0.00 C ATOM 1021 C GLN A 71 4.165 -8.908 -8.785 1.00 0.00 C ATOM 1022 O GLN A 71 5.345 -8.621 -8.953 1.00 0.00 O ATOM 1023 CB GLN A 71 3.640 -6.526 -7.982 1.00 0.00 C ATOM 1024 CG GLN A 71 2.467 -5.590 -7.650 1.00 0.00 C ATOM 1025 CD GLN A 71 2.820 -4.129 -7.941 1.00 0.00 C ATOM 1026 OE1 GLN A 71 3.242 -3.368 -7.090 1.00 0.00 O ATOM 1027 NE2 GLN A 71 2.619 -3.716 -9.175 1.00 0.00 N ATOM 1028 HA GLN A 71 2.258 -7.987 -8.679 1.00 0.00 H ATOM 1029 HB2 GLN A 71 4.397 -6.443 -7.203 1.00 0.00 H ATOM 1030 HB3 GLN A 71 4.072 -6.234 -8.939 1.00 0.00 H ATOM 1031 HG2 GLN A 71 1.604 -5.874 -8.253 1.00 0.00 H ATOM 1032 HG3 GLN A 71 2.219 -5.692 -6.593 1.00 0.00 H ATOM 1033 HE22 GLN A 71 2.258 -4.377 -9.892 1.00 0.00 H ATOM 1034 HE21 GLN A 71 2.821 -2.729 -9.432 1.00 0.00 H ATOM 1035 H GLN A 71 3.117 -7.944 -5.888 1.00 0.00 H ATOM 1036 N ARG A 72 3.597 -10.017 -9.233 1.00 0.00 N ATOM 1037 CA ARG A 72 4.330 -11.159 -9.808 1.00 0.00 C ATOM 1038 C ARG A 72 4.194 -11.240 -11.335 1.00 0.00 C ATOM 1039 O ARG A 72 3.080 -11.116 -11.867 1.00 0.00 O ATOM 1040 CB ARG A 72 3.916 -12.456 -9.082 1.00 0.00 C ATOM 1041 CG ARG A 72 2.438 -12.836 -9.217 1.00 0.00 C ATOM 1042 CD ARG A 72 1.908 -13.637 -8.023 1.00 0.00 C ATOM 1043 NE ARG A 72 2.523 -14.964 -7.870 1.00 0.00 N ATOM 1044 CZ ARG A 72 2.130 -15.905 -7.014 1.00 0.00 C ATOM 1045 NH1 ARG A 72 0.977 -15.826 -6.344 1.00 0.00 N ATOM 1046 NH2 ARG A 72 2.775 -17.066 -6.957 1.00 0.00 N ATOM 1047 HA ARG A 72 5.397 -11.011 -9.641 1.00 0.00 H ATOM 1048 HB2 ARG A 72 4.513 -13.274 -9.486 1.00 0.00 H ATOM 1049 HB3 ARG A 72 4.138 -12.335 -8.022 1.00 0.00 H ATOM 1050 HG2 ARG A 72 1.852 -11.921 -9.308 1.00 0.00 H ATOM 1051 HG3 ARG A 72 2.315 -13.436 -10.119 1.00 0.00 H ATOM 1052 HD2 ARG A 72 0.834 -13.770 -8.149 1.00 0.00 H ATOM 1053 HD3 ARG A 72 2.098 -13.065 -7.115 1.00 0.00 H ATOM 1054 HE ARG A 72 3.334 -15.186 -8.482 1.00 0.00 H ATOM 1055 HH12 ARG A 72 0.706 -16.583 -5.684 1.00 0.00 H ATOM 1056 HH11 ARG A 72 0.350 -15.008 -6.482 1.00 0.00 H ATOM 1057 HH22 ARG A 72 2.467 -17.800 -6.288 1.00 0.00 H ATOM 1058 HH21 ARG A 72 3.588 -17.240 -7.582 1.00 0.00 H ATOM 1059 H ARG A 72 2.561 -10.087 -9.175 1.00 0.00 H ATOM 1060 N PRO A 73 5.322 -11.325 -12.050 1.00 0.00 N ATOM 1061 CA PRO A 73 5.355 -11.484 -13.516 1.00 0.00 C ATOM 1062 C PRO A 73 4.685 -12.807 -13.916 1.00 0.00 C ATOM 1063 O PRO A 73 4.945 -13.841 -13.316 1.00 0.00 O ATOM 1064 CB PRO A 73 6.835 -11.516 -13.888 1.00 0.00 C ATOM 1065 CG PRO A 73 7.506 -10.732 -12.754 1.00 0.00 C ATOM 1066 CD PRO A 73 6.691 -11.127 -11.522 1.00 0.00 C ATOM 1067 HA PRO A 73 4.824 -10.679 -14.025 1.00 0.00 H ATOM 1068 HD3 PRO A 73 7.074 -12.048 -11.082 1.00 0.00 H ATOM 1069 HD2 PRO A 73 6.708 -10.334 -10.775 1.00 0.00 H ATOM 1070 HG3 PRO A 73 7.448 -9.658 -12.933 1.00 0.00 H ATOM 1071 HG2 PRO A 73 8.550 -11.024 -12.642 1.00 0.00 H ATOM 1072 HB2 PRO A 73 7.205 -12.540 -13.926 1.00 0.00 H ATOM 1073 HB3 PRO A 73 7.006 -11.033 -14.850 1.00 0.00 H ATOM 1074 N GLY A 74 3.888 -12.740 -14.980 1.00 0.00 N ATOM 1075 CA GLY A 74 3.117 -13.893 -15.505 1.00 0.00 C ATOM 1076 C GLY A 74 4.026 -14.992 -16.096 1.00 0.00 C ATOM 1077 O GLY A 74 4.007 -16.115 -15.557 1.00 0.00 O ATOM 1078 HA3 GLY A 74 2.445 -13.538 -16.286 1.00 0.00 H ATOM 1079 HA2 GLY A 74 2.532 -14.323 -14.691 1.00 0.00 H ATOM 1080 H GLY A 74 3.801 -11.827 -15.471 1.00 0.00 H TER 1081 GLY A 74 HETATM 1082 N LYS A 1 -2.701 7.693 8.802 1.00 0.24 N HETATM 1083 CA LYS A 1 -3.984 6.958 8.906 1.00 0.07 C HETATM 1084 CB LYS A 1 -5.099 7.947 9.268 1.00 0.01 C HETATM 1085 CG LYS A 1 -6.402 7.230 9.648 1.00 -0.04 C HETATM 1086 CD LYS A 1 -7.473 8.233 10.083 1.00 -0.01 C HETATM 1087 CE LYS A 1 -8.810 7.542 10.356 1.00 -0.04 C HETATM 1088 NZ LYS A 1 -8.725 6.618 11.498 1.00 0.22 N HETATM 1089 H13 LYS A 1 -9.622 6.184 11.646 1.00 0.20 H HETATM 1090 H14 LYS A 1 -8.459 7.129 12.325 1.00 0.20 H HETATM 1091 H15 LYS A 1 -8.036 5.908 11.305 1.00 0.20 H HETATM 1092 H11 LYS A 1 -9.107 6.976 9.461 1.00 0.08 H HETATM 1093 H12 LYS A 1 -9.569 8.308 10.574 1.00 0.08 H HETATM 1094 H9 LYS A 1 -7.612 8.977 9.285 1.00 0.03 H HETATM 1095 H10 LYS A 1 -7.138 8.738 11.001 1.00 0.03 H HETATM 1096 H7 LYS A 1 -6.202 6.535 10.477 1.00 0.03 H HETATM 1097 H8 LYS A 1 -6.769 6.666 8.778 1.00 0.03 H HETATM 1098 H5 LYS A 1 -5.291 8.598 8.402 1.00 0.03 H HETATM 1099 H6 LYS A 1 -4.769 8.559 10.120 1.00 0.03 H HETATM 1100 C LYS A 1 -4.299 6.136 7.638 1.00 0.23 C HETATM 1101 O LYS A 1 -4.867 6.622 6.660 1.00 -0.39 O HETATM 1102 N LYS A 1 -3.881 4.883 7.718 1.00 -0.26 N HETATM 1103 CA LYS A 1 -3.878 3.932 6.589 1.00 0.14 C HETATM 1104 CB LYS A 1 -2.517 3.942 5.888 1.00 0.01 C HETATM 1105 CG LYS A 1 -2.105 5.319 5.377 1.00 -0.00 C HETATM 1106 ND1 LYS A 1 -1.358 6.204 6.040 1.00 -0.33 N HETATM 1107 CE1 LYS A 1 -1.327 7.331 5.341 1.00 0.09 C HETATM 1108 NE2 LYS A 1 -2.029 7.144 4.232 1.00 -0.28 N HETATM 1109 CD2 LYS A 1 -2.496 5.891 4.238 1.00 0.03 C HETATM 1110 H20 LYS A 1 -3.089 5.422 3.454 1.00 0.07 H HETATM 1111 H22 LYS A 1 -2.187 7.844 3.493 1.00 0.24 H HETATM 1112 H21 LYS A 1 -0.815 8.248 5.628 1.00 0.12 H HETATM 1113 H18 LYS A 1 -2.561 3.252 5.032 1.00 0.04 H HETATM 1114 H19 LYS A 1 -1.756 3.593 6.601 1.00 0.04 H HETATM 1115 C LYS A 1 -4.194 2.516 7.090 1.00 0.21 C HETATM 1116 O LYS A 1 -3.883 2.159 8.225 1.00 -0.39 O HETATM 1117 N LYS A 1 -4.780 1.742 6.191 1.00 -0.26 N HETATM 1118 CA LYS A 1 -5.245 0.372 6.488 1.00 0.14 C HETATM 1119 CB LYS A 1 -6.702 0.241 6.046 1.00 0.00 C HETATM 1120 CG LYS A 1 -7.689 0.633 7.140 1.00 -0.04 C HETATM 1121 CD1 LYS A 1 -8.321 -0.252 7.898 1.00 0.02 C HETATM 1122 NE1 LYS A 1 -9.041 0.370 8.831 1.00 -0.29 N HETATM 1123 CE2 LYS A 1 -8.894 1.688 8.685 1.00 0.06 C HETATM 1124 CD2 LYS A 1 -8.037 1.898 7.591 1.00 -0.02 C HETATM 1125 CE3 LYS A 1 -7.740 3.214 7.165 1.00 -0.07 C HETATM 1126 CZ3 LYS A 1 -8.314 4.304 7.846 1.00 -0.08 C HETATM 1127 CH2 LYS A 1 -9.181 4.094 8.936 1.00 -0.08 C HETATM 1128 CZ2 LYS A 1 -9.472 2.781 9.374 1.00 -0.04 C HETATM 1129 H30 LYS A 1 -10.126 2.615 10.222 1.00 0.05 H HETATM 1130 H32 LYS A 1 -9.627 4.943 9.442 1.00 0.05 H HETATM 1131 H31 LYS A 1 -8.086 5.315 7.528 1.00 0.05 H HETATM 1132 H29 LYS A 1 -7.078 3.381 6.323 1.00 0.05 H HETATM 1133 H28 LYS A 1 -9.618 -0.092 9.549 1.00 0.22 H HETATM 1134 H27 LYS A 1 -8.261 -1.332 7.776 1.00 0.08 H HETATM 1135 H25 LYS A 1 -6.890 -0.805 5.761 1.00 0.04 H HETATM 1136 H26 LYS A 1 -6.865 0.893 5.175 1.00 0.04 H HETATM 1137 C LYS A 1 -4.420 -0.745 5.842 1.00 0.21 C HETATM 1138 O LYS A 1 -3.888 -0.603 4.738 1.00 -0.39 O HETATM 1139 N LYS A 1 -4.222 -1.768 6.666 1.00 -0.26 N HETATM 1140 CA LYS A 1 -3.820 -3.111 6.212 1.00 0.13 C HETATM 1141 CB LYS A 1 -3.212 -4.017 7.299 1.00 -0.01 C HETATM 1142 CG2 LYS A 1 -4.085 -4.142 8.564 1.00 -0.06 C HETATM 1143 H39 LYS A 1 -5.106 -4.433 8.277 1.00 0.02 H HETATM 1144 H40 LYS A 1 -4.112 -3.175 9.088 1.00 0.02 H HETATM 1145 H41 LYS A 1 -3.659 -4.907 9.229 1.00 0.02 H HETATM 1146 CG1 LYS A 1 -1.781 -3.612 7.671 1.00 -0.06 C HETATM 1147 H36 LYS A 1 -1.398 -4.290 8.448 1.00 0.02 H HETATM 1148 H37 LYS A 1 -1.779 -2.580 8.052 1.00 0.02 H HETATM 1149 H38 LYS A 1 -1.139 -3.675 6.780 1.00 0.02 H HETATM 1150 H35 LYS A 1 -3.152 -5.024 6.859 1.00 0.03 H HETATM 1151 C LYS A 1 -4.990 -3.863 5.557 1.00 0.20 C HETATM 1152 O LYS A 1 -6.110 -3.902 6.054 1.00 -0.39 O HETATM 1153 N LYS A 1 -4.675 -4.390 4.388 1.00 -0.26 N HETATM 1154 CA LYS A 1 -5.513 -5.352 3.654 1.00 0.14 C HETATM 1155 CB LYS A 1 -6.039 -4.740 2.355 1.00 0.02 C HETATM 1156 CG LYS A 1 -7.334 -3.957 2.607 1.00 -0.05 C HETATM 1157 CD1 LYS A 1 -8.568 -4.643 2.528 1.00 -0.07 C HETATM 1158 CE1 LYS A 1 -9.761 -3.912 2.708 1.00 -0.04 C HETATM 1159 CZ LYS A 1 -9.690 -2.531 2.958 1.00 0.08 C HETATM 1160 CE2 LYS A 1 -8.455 -1.845 3.037 1.00 -0.04 C HETATM 1161 CD2 LYS A 1 -7.263 -2.576 2.858 1.00 -0.07 C HETATM 1162 H47 LYS A 1 -6.302 -2.078 2.913 1.00 0.05 H HETATM 1163 H49 LYS A 1 -8.426 -0.779 3.231 1.00 0.05 H HETATM 1164 OH LYS A 1 -10.833 -1.826 3.159 1.00 -0.34 O HETATM 1165 H50 LYS A 1 -11.580 -2.407 3.077 1.00 0.25 H HETATM 1166 H48 LYS A 1 -10.722 -4.410 2.654 1.00 0.05 H HETATM 1167 H46 LYS A 1 -8.597 -5.709 2.333 1.00 0.05 H HETATM 1168 H44 LYS A 1 -6.239 -5.545 1.632 1.00 0.05 H HETATM 1169 H45 LYS A 1 -5.280 -4.058 1.944 1.00 0.05 H HETATM 1170 C LYS A 1 -4.715 -6.628 3.382 1.00 0.21 C HETATM 1171 O LYS A 1 -3.505 -6.603 3.143 1.00 -0.39 O HETATM 1172 N LYS A 1 -5.453 -7.735 3.416 1.00 -0.26 N HETATM 1173 CA LYS A 1 -4.872 -9.089 3.320 1.00 0.15 C HETATM 1174 CB LYS A 1 -5.160 -9.873 4.608 1.00 0.02 C HETATM 1175 CG LYS A 1 -4.266 -9.462 5.790 1.00 -0.05 C HETATM 1176 CD1 LYS A 1 -4.574 -8.288 6.516 1.00 -0.07 C HETATM 1177 CE1 LYS A 1 -3.928 -8.037 7.737 1.00 -0.04 C HETATM 1178 CZ LYS A 1 -2.969 -8.970 8.204 1.00 0.08 C HETATM 1179 CE2 LYS A 1 -2.651 -10.133 7.479 1.00 -0.04 C HETATM 1180 CD2 LYS A 1 -3.297 -10.375 6.254 1.00 -0.07 C HETATM 1181 H56 LYS A 1 -3.052 -11.256 5.671 1.00 0.05 H HETATM 1182 H58 LYS A 1 -1.917 -10.834 7.860 1.00 0.05 H HETATM 1183 OH LYS A 1 -2.320 -8.718 9.368 1.00 -0.34 O HETATM 1184 H59 LYS A 1 -2.640 -7.904 9.738 1.00 0.25 H HETATM 1185 H57 LYS A 1 -4.158 -7.147 8.311 1.00 0.05 H HETATM 1186 H55 LYS A 1 -5.305 -7.586 6.132 1.00 0.05 H HETATM 1187 H53 LYS A 1 -5.001 -10.943 4.407 1.00 0.05 H HETATM 1188 H54 LYS A 1 -6.210 -9.705 4.891 1.00 0.05 H HETATM 1189 C LYS A 1 -5.266 -9.909 2.083 1.00 0.26 C HETATM 1190 O LYS A 1 -4.617 -10.969 1.893 1.00 -0.37 O HETATM 1191 O1 LYS A 1 -6.237 -9.521 1.261 1.00 -0.29 O HETATM 1192 H60 LYS A 1 -5.881 -9.400 0.388 1.00 0.25 H HETATM 1193 H52 LYS A 1 -3.782 -8.951 3.258 1.00 0.08 H HETATM 1194 H51 LYS A 1 -6.444 -7.646 3.511 1.00 0.19 H HETATM 1195 H43 LYS A 1 -6.377 -5.612 4.284 1.00 0.08 H HETATM 1196 H42 LYS A 1 -3.807 -4.117 3.973 1.00 0.19 H HETATM 1197 H34 LYS A 1 -3.045 -2.961 5.446 1.00 0.08 H HETATM 1198 H33 LYS A 1 -4.353 -1.619 7.646 1.00 0.19 H HETATM 1199 H24 LYS A 1 -5.193 0.233 7.578 1.00 0.08 H HETATM 1200 H23 LYS A 1 -4.914 2.101 5.268 1.00 0.19 H HETATM 1201 H17 LYS A 1 -4.651 4.236 5.868 1.00 0.08 H HETATM 1202 H16 LYS A 1 -3.545 4.559 8.602 1.00 0.19 H HETATM 1203 H4 LYS A 1 -3.892 6.242 9.736 1.00 0.11 H HETATM 1204 H1 LYS A 1 -2.541 8.212 9.651 1.00 0.20 H HETATM 1205 H2 LYS A 1 -2.741 8.330 8.022 1.00 0.20 H HETATM 1206 H3 LYS A 1 -1.948 7.037 8.663 1.00 0.20 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 43 42 309 CONECT 216 215 637 CONECT 309 43 308 CONECT 427 426 479 CONECT 479 427 478 CONECT 637 216 636 CONECT 681 680 855 CONECT 855 681 854 CONECT 865 864 934 CONECT 934 865 933 CONECT 1082 1083 1204 1205 1206 CONECT 1083 1082 1084 1100 1203 CONECT 1084 1083 1085 1098 1099 CONECT 1085 1084 1086 1096 1097 CONECT 1086 1085 1087 1094 1095 CONECT 1087 1086 1088 1092 1093 CONECT 1088 1087 1089 1090 1091 CONECT 1089 1088 CONECT 1090 1088 CONECT 1091 1088 CONECT 1092 1087 CONECT 1093 1087 CONECT 1094 1086 CONECT 1095 1086 CONECT 1096 1085 CONECT 1097 1085 CONECT 1098 1084 CONECT 1099 1084 CONECT 1100 1083 1101 1102 CONECT 1101 1100 CONECT 1102 1100 1103 1202 CONECT 1103 1102 1104 1115 1201 CONECT 1104 1103 1105 1113 1114 CONECT 1105 1104 1106 1109 CONECT 1106 1105 1107 CONECT 1107 1106 1108 1112 CONECT 1108 1107 1109 1111 CONECT 1109 1105 1108 1110 CONECT 1110 1109 CONECT 1111 1108 CONECT 1112 1107 CONECT 1113 1104 CONECT 1114 1104 CONECT 1115 1103 1116 1117 CONECT 1116 1115 CONECT 1117 1115 1118 1200 CONECT 1118 1117 1119 1137 1199 CONECT 1119 1118 1120 1135 1136 CONECT 1120 1119 1121 1124 CONECT 1121 1120 1122 1134 CONECT 1122 1121 1123 1133 CONECT 1123 1122 1124 1128 CONECT 1124 1120 1123 1125 CONECT 1125 1124 1126 1132 CONECT 1126 1125 1127 1131 CONECT 1127 1126 1128 1130 CONECT 1128 1123 1127 1129 CONECT 1129 1128 CONECT 1130 1127 CONECT 1131 1126 CONECT 1132 1125 CONECT 1133 1122 CONECT 1134 1121 CONECT 1135 1119 CONECT 1136 1119 CONECT 1137 1118 1138 1139 CONECT 1138 1137 CONECT 1139 1137 1140 1198 CONECT 1140 1139 1141 1151 1197 CONECT 1141 1140 1142 1146 1150 CONECT 1142 1141 1143 1144 1145 CONECT 1143 1142 CONECT 1144 1142 CONECT 1145 1142 CONECT 1146 1141 1147 1148 1149 CONECT 1147 1146 CONECT 1148 1146 CONECT 1149 1146 CONECT 1150 1141 CONECT 1151 1140 1152 1153 CONECT 1152 1151 CONECT 1153 1151 1154 1196 CONECT 1154 1153 1155 1170 1195 CONECT 1155 1154 1156 1168 1169 CONECT 1156 1155 1157 1161 CONECT 1157 1156 1158 1167 CONECT 1158 1157 1159 1166 CONECT 1159 1158 1160 1164 CONECT 1160 1159 1161 1163 CONECT 1161 1156 1160 1162 CONECT 1162 1161 CONECT 1163 1160 CONECT 1164 1159 1165 CONECT 1165 1164 CONECT 1166 1158 CONECT 1167 1157 CONECT 1168 1155 CONECT 1169 1155 CONECT 1170 1154 1171 1172 CONECT 1171 1170 CONECT 1172 1170 1173 1194 CONECT 1173 1172 1174 1189 1193 CONECT 1174 1173 1175 1187 1188 CONECT 1175 1174 1176 1180 CONECT 1176 1175 1177 1186 CONECT 1177 1176 1178 1185 CONECT 1178 1177 1179 1183 CONECT 1179 1178 1180 1182 CONECT 1180 1175 1179 1181 CONECT 1181 1180 CONECT 1182 1179 CONECT 1183 1178 1184 CONECT 1184 1183 CONECT 1185 1177 CONECT 1186 1176 CONECT 1187 1174 CONECT 1188 1174 CONECT 1189 1173 1190 1191 CONECT 1190 1189 CONECT 1191 1189 1192 CONECT 1192 1191 CONECT 1193 1173 CONECT 1194 1172 CONECT 1195 1154 CONECT 1196 1153 CONECT 1197 1140 CONECT 1198 1139 CONECT 1199 1118 CONECT 1200 1117 CONECT 1201 1103 CONECT 1202 1102 CONECT 1203 1083 CONECT 1204 1082 CONECT 1205 1082 CONECT 1206 1082 MASTER 0 0 0 0 0 0 0 0 1205 1 139 6 END
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12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
1abt
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
a-bungarotoxin (BGTX)
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.4uM
Release Year
1994
Protein/NA Sequence
Check fasta file
Primary Reference
(1993) Biochemistry Vol. 32: pp. 12290-12298
Ligand Properties
Formula
C
4
6
H
6
0
N
1
0
O
9
Molecular Weight
897.030
Exact Mass
896.454
No. of atoms
125
No. of bonds
129
Polar Surface Area
323.01
LOGP Value
0.41 (
Computed with XLOGP3
)
1.71 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 32
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 5
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)Cc1ccc(cc1)O)C(C)C)Cc1c[nH]c2c1cccc2)Cc1c[nH]cn1)[NH3+]
InChI String
InChI=1S/C46H58N10O9/c1-26(2)40(45(63)54-36(19-27-10-14-31(57)15-11-27)42(60)55-39(46(64)65)20-28-12-16-32(58)17-13-28)56-44(62)37(21-29-23-50-35-9-4-3-7-33(29)35)53-43(61)38(22-30-24-49-25-51-30)52-41(59)34(48)8-5-6-18-47/h3-4,7,9-17,23-26,34,36-40,50,57-58H,5-6,8,18-22,47-48H2,1-2H3,(H,49,51)(H,52,59)(H,53,61)(H,54,63)(H,55,60)(H,56,62)(H,64,65)/p+2/t34-,36-,37-,38-,39-,40-/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):
P02710
P60615
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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