Browse entries in the PDBbind-CN Database
HEADER 2P0X_COMPLEX COMPND 2P0X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 64 GLY SER PHE ARG VAL LYS PRO CYS VAL VAL CYS LYS VAL SEQRES 2 A 64 ALA PRO ARG ASP TRP ARG VAL LYS ASN ARG HIS LEU ARG SEQRES 3 A 64 ILE TYR ASN MET CYS LYS THR CYS PHE ASN ASN SER ILE SEQRES 4 A 64 LYS SER GLY ASP ASP THR TYR HIS GLY HIS VAL ASP TRP SEQRES 5 A 64 LEU MET TYR THR ASP ALA LYS GLU PHE SER SER THR HET ZN A 1 1 HET ATP A 66 43 ATOM 1 N GLY A 1 -3.047 12.397 -18.704 1.00 0.00 N ATOM 2 CA GLY A 1 -3.891 11.466 -17.902 1.00 0.00 C ATOM 3 C GLY A 1 -3.030 10.773 -16.853 1.00 0.00 C ATOM 4 O GLY A 1 -2.884 11.263 -15.734 1.00 0.00 O ATOM 5 HA3 GLY A 1 -4.334 10.718 -18.560 1.00 0.00 H ATOM 6 HA2 GLY A 1 -4.683 12.028 -17.408 1.00 0.00 H ATOM 7 HN3 GLY A 1 -2.292 11.859 -19.175 1.00 0.00 H ATOM 8 HN2 GLY A 1 -2.626 13.110 -18.075 1.00 0.00 H ATOM 9 HN1 GLY A 1 -3.637 12.869 -19.419 1.00 0.00 H ATOM 10 N SER A 2 -2.459 9.631 -17.222 1.00 0.00 N ATOM 11 CA SER A 2 -1.613 8.880 -16.303 1.00 0.00 C ATOM 12 C SER A 2 -0.267 9.577 -16.125 1.00 0.00 C ATOM 13 O SER A 2 0.082 10.477 -16.888 1.00 0.00 O ATOM 14 CB SER A 2 -1.391 7.464 -16.837 1.00 0.00 C ATOM 15 OG SER A 2 -2.360 7.184 -17.838 1.00 0.00 O ATOM 16 HA SER A 2 -2.113 8.828 -15.336 1.00 0.00 H ATOM 17 HB2 SER A 2 -1.491 6.747 -16.022 1.00 0.00 H ATOM 18 HB3 SER A 2 -0.392 7.388 -17.265 1.00 0.00 H ATOM 19 HG SER A 2 -2.219 6.268 -18.185 1.00 0.00 H ATOM 20 H SER A 2 -2.619 9.267 -18.183 1.00 0.00 H ATOM 21 N PHE A 3 0.481 9.157 -15.113 1.00 0.00 N ATOM 22 CA PHE A 3 1.787 9.747 -14.843 1.00 0.00 C ATOM 23 C PHE A 3 2.838 8.658 -14.666 1.00 0.00 C ATOM 24 O PHE A 3 2.975 7.768 -15.506 1.00 0.00 O ATOM 25 CB PHE A 3 1.721 10.607 -13.579 1.00 0.00 C ATOM 26 CG PHE A 3 0.440 11.406 -13.580 1.00 0.00 C ATOM 27 CD1 PHE A 3 0.139 12.242 -14.662 1.00 0.00 C ATOM 28 CD2 PHE A 3 -0.449 11.309 -12.502 1.00 0.00 C ATOM 29 CE1 PHE A 3 -1.049 12.983 -14.665 1.00 0.00 C ATOM 30 CE2 PHE A 3 -1.636 12.051 -12.505 1.00 0.00 C ATOM 31 CZ PHE A 3 -1.936 12.887 -13.586 1.00 0.00 C ATOM 32 HA PHE A 3 2.066 10.372 -15.692 1.00 0.00 H ATOM 33 HB2 PHE A 3 1.748 9.964 -12.700 1.00 0.00 H ATOM 34 HB3 PHE A 3 2.573 11.286 -13.556 1.00 0.00 H ATOM 35 HD2 PHE A 3 -0.217 10.656 -11.661 1.00 0.00 H ATOM 36 HE2 PHE A 3 -2.327 11.977 -11.665 1.00 0.00 H ATOM 37 HZ PHE A 3 -2.861 13.464 -13.588 1.00 0.00 H ATOM 38 HE1 PHE A 3 -1.283 13.634 -15.507 1.00 0.00 H ATOM 39 HD1 PHE A 3 0.830 12.316 -15.502 1.00 0.00 H ATOM 40 H PHE A 3 0.130 8.393 -14.501 1.00 0.00 H ATOM 41 N ARG A 4 3.574 8.730 -13.563 1.00 0.00 N ATOM 42 CA ARG A 4 4.607 7.743 -13.279 1.00 0.00 C ATOM 43 C ARG A 4 4.155 6.813 -12.158 1.00 0.00 C ATOM 44 O ARG A 4 4.889 5.917 -11.745 1.00 0.00 O ATOM 45 CB ARG A 4 5.906 8.445 -12.873 1.00 0.00 C ATOM 46 CG ARG A 4 6.762 8.697 -14.115 1.00 0.00 C ATOM 47 CD ARG A 4 7.495 10.032 -13.968 1.00 0.00 C ATOM 48 NE ARG A 4 8.434 9.974 -12.854 1.00 0.00 N ATOM 49 CZ ARG A 4 8.709 11.055 -12.129 1.00 0.00 C ATOM 50 NH1 ARG A 4 8.128 12.191 -12.404 1.00 0.00 N ATOM 51 NH2 ARG A 4 9.561 10.978 -11.144 1.00 0.00 N ATOM 52 HA ARG A 4 4.783 7.155 -14.179 1.00 0.00 H ATOM 53 HB2 ARG A 4 5.671 9.396 -12.395 1.00 0.00 H ATOM 54 HB3 ARG A 4 6.456 7.815 -12.174 1.00 0.00 H ATOM 55 HG2 ARG A 4 7.490 7.893 -14.224 1.00 0.00 H ATOM 56 HG3 ARG A 4 6.122 8.729 -14.997 1.00 0.00 H ATOM 57 HD2 ARG A 4 6.768 10.823 -13.785 1.00 0.00 H ATOM 58 HD3 ARG A 4 8.040 10.246 -14.887 1.00 0.00 H ATOM 59 HE ARG A 4 8.897 9.072 -12.622 1.00 0.00 H ATOM 60 HH12 ARG A 4 8.343 13.036 -11.837 1.00 0.00 H ATOM 61 HH11 ARG A 4 7.450 12.251 -13.190 1.00 0.00 H ATOM 62 HH22 ARG A 4 9.777 11.822 -10.576 1.00 0.00 H ATOM 63 HH21 ARG A 4 10.024 10.073 -10.927 1.00 0.00 H ATOM 64 H ARG A 4 3.410 9.505 -12.890 1.00 0.00 H ATOM 65 N VAL A 5 2.937 7.037 -11.671 1.00 0.00 N ATOM 66 CA VAL A 5 2.389 6.219 -10.596 1.00 0.00 C ATOM 67 C VAL A 5 2.293 4.758 -11.026 1.00 0.00 C ATOM 68 O VAL A 5 2.556 4.423 -12.182 1.00 0.00 O ATOM 69 CB VAL A 5 1.002 6.732 -10.210 1.00 0.00 C ATOM 70 CG1 VAL A 5 1.080 8.227 -9.893 1.00 0.00 C ATOM 71 CG2 VAL A 5 0.033 6.508 -11.374 1.00 0.00 C ATOM 72 HA VAL A 5 3.056 6.287 -9.736 1.00 0.00 H ATOM 73 HB VAL A 5 0.647 6.192 -9.332 1.00 0.00 H ATOM 74 HG11 VAL A 5 1.770 8.386 -9.064 1.00 0.00 H ATOM 75 HG12 VAL A 5 1.435 8.765 -10.772 1.00 0.00 H ATOM 76 HG13 VAL A 5 0.090 8.591 -9.618 1.00 0.00 H ATOM 77 HG21 VAL A 5 0.390 7.048 -12.251 1.00 0.00 H ATOM 78 HG22 VAL A 5 -0.022 5.443 -11.599 1.00 0.00 H ATOM 79 HG23 VAL A 5 -0.956 6.874 -11.098 1.00 0.00 H ATOM 80 H VAL A 5 2.365 7.811 -12.065 1.00 0.00 H ATOM 81 N LYS A 6 1.916 3.894 -10.090 1.00 0.00 N ATOM 82 CA LYS A 6 1.789 2.470 -10.381 1.00 0.00 C ATOM 83 C LYS A 6 0.539 1.894 -9.712 1.00 0.00 C ATOM 84 O LYS A 6 0.554 1.588 -8.520 1.00 0.00 O ATOM 85 CB LYS A 6 3.026 1.725 -9.873 1.00 0.00 C ATOM 86 CG LYS A 6 3.037 0.303 -10.438 1.00 0.00 C ATOM 87 CD LYS A 6 3.990 0.235 -11.635 1.00 0.00 C ATOM 88 CE LYS A 6 5.426 0.066 -11.139 1.00 0.00 C ATOM 89 NZ LYS A 6 5.555 -1.234 -10.422 1.00 0.00 N ATOM 90 HA LYS A 6 1.702 2.344 -11.460 1.00 0.00 H ATOM 91 HB2 LYS A 6 3.925 2.251 -10.196 1.00 0.00 H ATOM 92 HB3 LYS A 6 3.003 1.683 -8.784 1.00 0.00 H ATOM 93 HG2 LYS A 6 3.371 -0.392 -9.667 1.00 0.00 H ATOM 94 HG3 LYS A 6 2.031 0.032 -10.758 1.00 0.00 H ATOM 95 HD2 LYS A 6 3.721 -0.613 -12.265 1.00 0.00 H ATOM 96 HD3 LYS A 6 3.912 1.155 -12.214 1.00 0.00 H ATOM 97 HE2 LYS A 6 5.674 0.882 -10.460 1.00 0.00 H ATOM 98 HE3 LYS A 6 6.108 0.082 -11.989 1.00 0.00 H ATOM 99 HZ1 LYS A 6 4.904 -1.247 -9.611 1.00 0.00 H ATOM 100 HZ2 LYS A 6 5.318 -2.011 -11.071 1.00 0.00 H ATOM 101 HZ3 LYS A 6 6.532 -1.347 -10.085 1.00 0.00 H ATOM 102 H LYS A 6 1.707 4.239 -9.131 1.00 0.00 H ATOM 103 N PRO A 7 -0.535 1.743 -10.447 1.00 0.00 N ATOM 104 CA PRO A 7 -1.809 1.195 -9.904 1.00 0.00 C ATOM 105 C PRO A 7 -1.779 -0.328 -9.787 1.00 0.00 C ATOM 106 O PRO A 7 -0.875 -0.982 -10.306 1.00 0.00 O ATOM 107 CB PRO A 7 -2.855 1.642 -10.924 1.00 0.00 C ATOM 108 CG PRO A 7 -2.119 1.789 -12.217 1.00 0.00 C ATOM 109 CD PRO A 7 -0.654 2.081 -11.876 1.00 0.00 C ATOM 110 HA PRO A 7 -2.010 1.551 -8.894 1.00 0.00 H ATOM 111 HD3 PRO A 7 0.013 1.461 -12.476 1.00 0.00 H ATOM 112 HD2 PRO A 7 -0.421 3.132 -12.045 1.00 0.00 H ATOM 113 HG3 PRO A 7 -2.539 2.612 -12.794 1.00 0.00 H ATOM 114 HG2 PRO A 7 -2.191 0.868 -12.795 1.00 0.00 H ATOM 115 HB2 PRO A 7 -3.641 0.893 -11.016 1.00 0.00 H ATOM 116 HB3 PRO A 7 -3.295 2.594 -10.626 1.00 0.00 H ATOM 117 N CYS A 8 -2.775 -0.886 -9.103 1.00 0.00 N ATOM 118 CA CYS A 8 -2.850 -2.333 -8.928 1.00 0.00 C ATOM 119 C CYS A 8 -2.827 -3.031 -10.283 1.00 0.00 C ATOM 120 O CYS A 8 -2.965 -2.389 -11.323 1.00 0.00 O ATOM 121 CB CYS A 8 -4.132 -2.707 -8.177 1.00 0.00 C ATOM 122 SG CYS A 8 -4.574 -4.423 -8.552 1.00 0.00 S ATOM 123 HA CYS A 8 -1.987 -2.657 -8.347 1.00 0.00 H ATOM 124 HB2 CYS A 8 -4.941 -2.047 -8.488 1.00 0.00 H ATOM 125 HB3 CYS A 8 -3.969 -2.600 -7.105 1.00 0.00 H ATOM 126 HG CYS A 8 -5.729 -4.757 -7.875 1.00 0.00 H ATOM 127 H CYS A 8 -3.512 -0.281 -8.687 1.00 0.00 H ATOM 128 N VAL A 9 -2.655 -4.347 -10.263 1.00 0.00 N ATOM 129 CA VAL A 9 -2.618 -5.119 -11.500 1.00 0.00 C ATOM 130 C VAL A 9 -3.583 -6.294 -11.420 1.00 0.00 C ATOM 131 O VAL A 9 -4.166 -6.701 -12.425 1.00 0.00 O ATOM 132 CB VAL A 9 -1.200 -5.634 -11.759 1.00 0.00 C ATOM 133 CG1 VAL A 9 -0.217 -4.463 -11.738 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.814 -6.639 -10.670 1.00 0.00 C ATOM 135 HA VAL A 9 -2.918 -4.469 -12.322 1.00 0.00 H ATOM 136 HB VAL A 9 -1.166 -6.120 -12.734 1.00 0.00 H ATOM 137 HG11 VAL A 9 -0.490 -3.747 -12.513 1.00 0.00 H ATOM 138 HG12 VAL A 9 -0.254 -3.977 -10.763 1.00 0.00 H ATOM 139 HG13 VAL A 9 0.791 -4.833 -11.923 1.00 0.00 H ATOM 140 HG21 VAL A 9 -0.851 -6.150 -9.697 1.00 0.00 H ATOM 141 HG22 VAL A 9 -1.513 -7.475 -10.685 1.00 0.00 H ATOM 142 HG23 VAL A 9 0.196 -7.005 -10.856 1.00 0.00 H ATOM 143 H VAL A 9 -2.545 -4.835 -9.351 1.00 0.00 H ATOM 144 N VAL A 10 -3.751 -6.833 -10.218 1.00 0.00 N ATOM 145 CA VAL A 10 -4.654 -7.958 -10.019 1.00 0.00 C ATOM 146 C VAL A 10 -6.087 -7.548 -10.342 1.00 0.00 C ATOM 147 O VAL A 10 -6.945 -8.395 -10.594 1.00 0.00 O ATOM 148 CB VAL A 10 -4.570 -8.445 -8.573 1.00 0.00 C ATOM 149 CG1 VAL A 10 -4.883 -9.942 -8.517 1.00 0.00 C ATOM 150 CG2 VAL A 10 -3.156 -8.202 -8.039 1.00 0.00 C ATOM 151 HA VAL A 10 -4.358 -8.766 -10.688 1.00 0.00 H ATOM 152 HB VAL A 10 -5.292 -7.901 -7.964 1.00 0.00 H ATOM 153 HG11 VAL A 10 -5.888 -10.116 -8.901 1.00 0.00 H ATOM 154 HG12 VAL A 10 -4.161 -10.486 -9.126 1.00 0.00 H ATOM 155 HG13 VAL A 10 -4.822 -10.286 -7.485 1.00 0.00 H ATOM 156 HG21 VAL A 10 -2.439 -8.749 -8.651 1.00 0.00 H ATOM 157 HG22 VAL A 10 -2.932 -7.136 -8.079 1.00 0.00 H ATOM 158 HG23 VAL A 10 -3.094 -8.549 -7.007 1.00 0.00 H ATOM 159 H VAL A 10 -3.229 -6.446 -9.406 1.00 0.00 H ATOM 160 N CYS A 11 -6.336 -6.242 -10.344 1.00 0.00 N ATOM 161 CA CYS A 11 -7.662 -5.725 -10.649 1.00 0.00 C ATOM 162 C CYS A 11 -7.570 -4.710 -11.784 1.00 0.00 C ATOM 163 O CYS A 11 -8.502 -4.559 -12.574 1.00 0.00 O ATOM 164 CB CYS A 11 -8.272 -5.078 -9.402 1.00 0.00 C ATOM 165 SG CYS A 11 -7.864 -6.073 -7.946 1.00 0.00 S ATOM 166 HA CYS A 11 -8.305 -6.547 -10.963 1.00 0.00 H ATOM 167 HB2 CYS A 11 -9.355 -5.023 -9.513 1.00 0.00 H ATOM 168 HB3 CYS A 11 -7.869 -4.073 -9.280 1.00 0.00 H ATOM 169 HG CYS A 11 -8.414 -5.489 -6.823 1.00 0.00 H ATOM 170 H CYS A 11 -5.568 -5.576 -10.123 1.00 0.00 H ATOM 171 N LYS A 12 -6.428 -4.029 -11.867 1.00 0.00 N ATOM 172 CA LYS A 12 -6.199 -3.041 -12.917 1.00 0.00 C ATOM 173 C LYS A 12 -7.355 -2.063 -12.973 1.00 0.00 C ATOM 174 O LYS A 12 -7.405 -1.185 -13.834 1.00 0.00 O ATOM 175 CB LYS A 12 -6.050 -3.730 -14.277 1.00 0.00 C ATOM 176 CG LYS A 12 -5.439 -5.121 -14.094 1.00 0.00 C ATOM 177 CD LYS A 12 -5.588 -5.921 -15.390 1.00 0.00 C ATOM 178 CE LYS A 12 -4.233 -6.511 -15.787 1.00 0.00 C ATOM 179 NZ LYS A 12 -3.418 -5.468 -16.473 1.00 0.00 N ATOM 180 HA LYS A 12 -5.279 -2.503 -12.687 1.00 0.00 H ATOM 181 HB2 LYS A 12 -7.031 -3.824 -14.744 1.00 0.00 H ATOM 182 HB3 LYS A 12 -5.401 -3.131 -14.916 1.00 0.00 H ATOM 183 HG2 LYS A 12 -4.382 -5.024 -13.847 1.00 0.00 H ATOM 184 HG3 LYS A 12 -5.954 -5.640 -13.285 1.00 0.00 H ATOM 185 HD2 LYS A 12 -6.305 -6.728 -15.238 1.00 0.00 H ATOM 186 HD3 LYS A 12 -5.945 -5.264 -16.183 1.00 0.00 H ATOM 187 HE2 LYS A 12 -4.387 -7.354 -16.461 1.00 0.00 H ATOM 188 HE3 LYS A 12 -3.709 -6.852 -14.894 1.00 0.00 H ATOM 189 HZ1 LYS A 12 -3.918 -5.144 -17.325 1.00 0.00 H ATOM 190 HZ2 LYS A 12 -3.272 -4.665 -15.829 1.00 0.00 H ATOM 191 HZ3 LYS A 12 -2.498 -5.870 -16.742 1.00 0.00 H ATOM 192 H LYS A 12 -5.681 -4.206 -11.166 1.00 0.00 H ATOM 193 N VAL A 13 -8.283 -2.227 -12.050 1.00 0.00 N ATOM 194 CA VAL A 13 -9.444 -1.360 -11.994 1.00 0.00 C ATOM 195 C VAL A 13 -9.356 -0.441 -10.786 1.00 0.00 C ATOM 196 O VAL A 13 -10.246 0.375 -10.546 1.00 0.00 O ATOM 197 CB VAL A 13 -10.709 -2.208 -11.908 1.00 0.00 C ATOM 198 CG1 VAL A 13 -10.952 -2.904 -13.250 1.00 0.00 C ATOM 199 CG2 VAL A 13 -10.529 -3.260 -10.813 1.00 0.00 C ATOM 200 HA VAL A 13 -9.476 -0.750 -12.896 1.00 0.00 H ATOM 201 HB VAL A 13 -11.563 -1.573 -11.673 1.00 0.00 H ATOM 202 HG11 VAL A 13 -11.071 -2.153 -14.031 1.00 0.00 H ATOM 203 HG12 VAL A 13 -10.101 -3.544 -13.485 1.00 0.00 H ATOM 204 HG13 VAL A 13 -11.856 -3.509 -13.186 1.00 0.00 H ATOM 205 HG21 VAL A 13 -9.676 -3.894 -11.057 1.00 0.00 H ATOM 206 HG22 VAL A 13 -10.353 -2.763 -9.859 1.00 0.00 H ATOM 207 HG23 VAL A 13 -11.430 -3.870 -10.746 1.00 0.00 H ATOM 208 H VAL A 13 -8.180 -2.990 -11.351 1.00 0.00 H ATOM 209 N ALA A 14 -8.277 -0.584 -10.024 1.00 0.00 N ATOM 210 CA ALA A 14 -8.089 0.242 -8.836 1.00 0.00 C ATOM 211 C ALA A 14 -6.636 0.686 -8.699 1.00 0.00 C ATOM 212 O ALA A 14 -5.721 0.017 -9.177 1.00 0.00 O ATOM 213 CB ALA A 14 -8.501 -0.540 -7.590 1.00 0.00 C ATOM 214 HA ALA A 14 -8.714 1.129 -8.939 1.00 0.00 H ATOM 215 HB1 ALA A 14 -9.551 -0.822 -7.670 1.00 0.00 H ATOM 216 HB2 ALA A 14 -7.888 -1.437 -7.506 1.00 0.00 H ATOM 217 HB3 ALA A 14 -8.358 0.083 -6.707 1.00 0.00 H ATOM 218 H ALA A 14 -7.559 -1.292 -10.277 1.00 0.00 H ATOM 219 N PRO A 15 -6.418 1.799 -8.050 1.00 0.00 N ATOM 220 CA PRO A 15 -5.051 2.355 -7.831 1.00 0.00 C ATOM 221 C PRO A 15 -4.269 1.560 -6.788 1.00 0.00 C ATOM 222 O PRO A 15 -3.292 0.885 -7.115 1.00 0.00 O ATOM 223 CB PRO A 15 -5.318 3.780 -7.343 1.00 0.00 C ATOM 224 CG PRO A 15 -6.670 3.733 -6.712 1.00 0.00 C ATOM 225 CD PRO A 15 -7.460 2.652 -7.454 1.00 0.00 C ATOM 226 HA PRO A 15 -4.441 2.315 -8.733 1.00 0.00 H ATOM 227 HD3 PRO A 15 -8.081 2.081 -6.763 1.00 0.00 H ATOM 228 HD2 PRO A 15 -8.090 3.093 -8.227 1.00 0.00 H ATOM 229 HG3 PRO A 15 -7.166 4.698 -6.813 1.00 0.00 H ATOM 230 HG2 PRO A 15 -6.584 3.478 -5.656 1.00 0.00 H ATOM 231 HB2 PRO A 15 -4.566 4.081 -6.614 1.00 0.00 H ATOM 232 HB3 PRO A 15 -5.311 4.478 -8.180 1.00 0.00 H ATOM 233 N ARG A 16 -4.702 1.647 -5.533 1.00 0.00 N ATOM 234 CA ARG A 16 -4.033 0.932 -4.454 1.00 0.00 C ATOM 235 C ARG A 16 -4.380 1.551 -3.104 1.00 0.00 C ATOM 236 O ARG A 16 -3.989 2.680 -2.807 1.00 0.00 O ATOM 237 CB ARG A 16 -2.518 0.981 -4.659 1.00 0.00 C ATOM 238 CG ARG A 16 -2.024 -0.363 -5.199 1.00 0.00 C ATOM 239 CD ARG A 16 -0.783 -0.135 -6.064 1.00 0.00 C ATOM 240 NE ARG A 16 -0.087 1.071 -5.633 1.00 0.00 N ATOM 241 CZ ARG A 16 1.206 1.248 -5.882 1.00 0.00 C ATOM 242 NH1 ARG A 16 1.882 0.328 -6.514 1.00 0.00 N ATOM 243 NH2 ARG A 16 1.800 2.342 -5.491 1.00 0.00 N ATOM 244 HA ARG A 16 -4.372 -0.104 -4.466 1.00 0.00 H ATOM 245 HB2 ARG A 16 -2.274 1.769 -5.371 1.00 0.00 H ATOM 246 HB3 ARG A 16 -2.030 1.190 -3.707 1.00 0.00 H ATOM 247 HG2 ARG A 16 -1.772 -1.020 -4.366 1.00 0.00 H ATOM 248 HG3 ARG A 16 -2.807 -0.824 -5.800 1.00 0.00 H ATOM 249 HD2 ARG A 16 -1.084 -0.025 -7.106 1.00 0.00 H ATOM 250 HD3 ARG A 16 -0.115 -0.991 -5.969 1.00 0.00 H ATOM 251 HE ARG A 16 -0.613 1.807 -5.120 1.00 0.00 H ATOM 252 HH12 ARG A 16 2.894 0.468 -6.708 1.00 0.00 H ATOM 253 HH11 ARG A 16 1.409 -0.545 -6.823 1.00 0.00 H ATOM 254 HH22 ARG A 16 2.812 2.482 -5.685 1.00 0.00 H ATOM 255 HH21 ARG A 16 1.261 3.074 -4.985 1.00 0.00 H ATOM 256 H ARG A 16 -5.532 2.235 -5.318 1.00 0.00 H ATOM 257 N ASP A 17 -5.115 0.802 -2.288 1.00 0.00 N ATOM 258 CA ASP A 17 -5.507 1.285 -0.968 1.00 0.00 C ATOM 259 C ASP A 17 -4.411 2.165 -0.378 1.00 0.00 C ATOM 260 O ASP A 17 -3.231 1.991 -0.681 1.00 0.00 O ATOM 261 CB ASP A 17 -5.772 0.103 -0.034 1.00 0.00 C ATOM 262 CG ASP A 17 -4.733 -0.986 -0.268 1.00 0.00 C ATOM 263 OD1 ASP A 17 -4.277 -1.110 -1.392 1.00 0.00 O ATOM 264 OD2 ASP A 17 -4.406 -1.679 0.682 1.00 0.00 O ATOM 265 HA ASP A 17 -6.418 1.874 -1.072 1.00 0.00 H ATOM 266 HB2 ASP A 17 -5.716 0.440 1.001 1.00 0.00 H ATOM 267 HB3 ASP A 17 -6.766 -0.298 -0.231 1.00 0.00 H ATOM 268 H ASP A 17 -5.416 -0.145 -2.596 1.00 0.00 H ATOM 269 N TRP A 18 -4.808 3.114 0.464 1.00 0.00 N ATOM 270 CA TRP A 18 -3.847 4.016 1.084 1.00 0.00 C ATOM 271 C TRP A 18 -4.219 4.299 2.533 1.00 0.00 C ATOM 272 O TRP A 18 -5.373 4.157 2.934 1.00 0.00 O ATOM 273 CB TRP A 18 -3.792 5.333 0.314 1.00 0.00 C ATOM 274 CG TRP A 18 -5.151 5.644 -0.225 1.00 0.00 C ATOM 275 CD1 TRP A 18 -5.516 5.534 -1.522 1.00 0.00 C ATOM 276 CD2 TRP A 18 -6.333 6.103 0.495 1.00 0.00 C ATOM 277 NE1 TRP A 18 -6.844 5.898 -1.647 1.00 0.00 N ATOM 278 CE2 TRP A 18 -7.391 6.257 -0.432 1.00 0.00 C ATOM 279 CE3 TRP A 18 -6.586 6.401 1.845 1.00 0.00 C ATOM 280 CZ2 TRP A 18 -8.656 6.689 -0.031 1.00 0.00 C ATOM 281 CZ3 TRP A 18 -7.858 6.835 2.253 1.00 0.00 C ATOM 282 CH2 TRP A 18 -8.891 6.980 1.316 1.00 0.00 C ATOM 283 HA TRP A 18 -2.870 3.533 1.060 1.00 0.00 H ATOM 284 HB2 TRP A 18 -3.472 6.133 0.982 1.00 0.00 H ATOM 285 HB3 TRP A 18 -3.084 5.245 -0.510 1.00 0.00 H ATOM 286 HE1 TRP A 18 -7.366 5.901 -2.546 1.00 0.00 H ATOM 287 HD1 TRP A 18 -4.868 5.211 -2.337 1.00 0.00 H ATOM 288 HZ2 TRP A 18 -9.456 6.799 -0.763 1.00 0.00 H ATOM 289 HH2 TRP A 18 -9.876 7.319 1.637 1.00 0.00 H ATOM 290 HZ3 TRP A 18 -8.043 7.060 3.303 1.00 0.00 H ATOM 291 HE3 TRP A 18 -5.789 6.295 2.581 1.00 0.00 H ATOM 292 H TRP A 18 -5.820 3.214 0.683 1.00 0.00 H ATOM 293 N ARG A 19 -3.367 4.671 3.294 1.00 0.00 N ATOM 294 CA ARG A 19 -3.570 4.985 4.698 1.00 0.00 C ATOM 295 C ARG A 19 -2.738 6.207 5.081 1.00 0.00 C ATOM 296 O ARG A 19 -1.938 6.550 4.418 1.00 0.00 O ATOM 297 CB ARG A 19 -3.172 3.780 5.548 1.00 0.00 C ATOM 298 CG ARG A 19 -3.645 3.980 6.989 1.00 0.00 C ATOM 299 CD ARG A 19 -4.640 2.877 7.358 1.00 0.00 C ATOM 300 NE ARG A 19 -4.046 1.566 7.125 1.00 0.00 N ATOM 301 CZ ARG A 19 -3.478 0.882 8.115 1.00 0.00 C ATOM 302 NH1 ARG A 19 -3.446 1.384 9.320 1.00 0.00 N ATOM 303 NH2 ARG A 19 -2.954 -0.290 7.885 1.00 0.00 N ATOM 304 HA ARG A 19 -4.621 5.213 4.875 1.00 0.00 H ATOM 305 HB2 ARG A 19 -3.631 2.881 5.138 1.00 0.00 H ATOM 306 HB3 ARG A 19 -2.088 3.671 5.535 1.00 0.00 H ATOM 307 HG2 ARG A 19 -2.789 3.937 7.662 1.00 0.00 H ATOM 308 HG3 ARG A 19 -4.129 4.952 7.081 1.00 0.00 H ATOM 309 HD2 ARG A 19 -5.536 2.981 6.746 1.00 0.00 H ATOM 310 HD3 ARG A 19 -4.907 2.970 8.411 1.00 0.00 H ATOM 311 HE ARG A 19 -4.067 1.158 6.168 1.00 0.00 H ATOM 312 HH12 ARG A 19 -3.002 0.850 10.094 1.00 0.00 H ATOM 313 HH11 ARG A 19 -3.864 2.318 9.506 1.00 0.00 H ATOM 314 HH22 ARG A 19 -2.511 -0.823 8.660 1.00 0.00 H ATOM 315 HH21 ARG A 19 -2.980 -0.692 6.926 1.00 0.00 H ATOM 316 H ARG A 19 -2.404 4.777 2.916 1.00 0.00 H ATOM 317 N VAL A 20 -2.947 6.877 6.206 1.00 0.00 N ATOM 318 CA VAL A 20 -2.216 8.059 6.650 1.00 0.00 C ATOM 319 C VAL A 20 -1.372 7.739 7.878 1.00 0.00 C ATOM 320 O VAL A 20 -1.880 7.234 8.879 1.00 0.00 O ATOM 321 CB VAL A 20 -3.199 9.184 6.983 1.00 0.00 C ATOM 322 CG1 VAL A 20 -2.481 10.532 6.889 1.00 0.00 C ATOM 323 CG2 VAL A 20 -4.362 9.154 5.989 1.00 0.00 C ATOM 324 HA VAL A 20 -1.555 8.379 5.844 1.00 0.00 H ATOM 325 HB VAL A 20 -3.582 9.046 7.994 1.00 0.00 H ATOM 326 HG11 VAL A 20 -1.652 10.551 7.597 1.00 0.00 H ATOM 327 HG12 VAL A 20 -2.099 10.669 5.877 1.00 0.00 H ATOM 328 HG13 VAL A 20 -3.182 11.333 7.126 1.00 0.00 H ATOM 329 HG21 VAL A 20 -3.978 9.293 4.978 1.00 0.00 H ATOM 330 HG22 VAL A 20 -4.872 8.193 6.057 1.00 0.00 H ATOM 331 HG23 VAL A 20 -5.062 9.955 6.226 1.00 0.00 H ATOM 332 H VAL A 20 -3.702 6.527 6.830 1.00 0.00 H ATOM 333 N LYS A 21 -0.076 8.026 7.788 1.00 0.00 N ATOM 334 CA LYS A 21 0.836 7.753 8.892 1.00 0.00 C ATOM 335 C LYS A 21 1.484 9.037 9.406 1.00 0.00 C ATOM 336 O LYS A 21 2.471 9.517 8.847 1.00 0.00 O ATOM 337 CB LYS A 21 1.921 6.777 8.436 1.00 0.00 C ATOM 338 CG LYS A 21 2.795 6.386 9.630 1.00 0.00 C ATOM 339 CD LYS A 21 2.817 4.862 9.772 1.00 0.00 C ATOM 340 CE LYS A 21 1.497 4.384 10.379 1.00 0.00 C ATOM 341 NZ LYS A 21 1.379 2.907 10.209 1.00 0.00 N ATOM 342 HA LYS A 21 0.261 7.312 9.706 1.00 0.00 H ATOM 343 HB2 LYS A 21 1.454 5.884 8.020 1.00 0.00 H ATOM 344 HB3 LYS A 21 2.539 7.251 7.674 1.00 0.00 H ATOM 345 HG2 LYS A 21 3.810 6.751 9.472 1.00 0.00 H ATOM 346 HG3 LYS A 21 2.388 6.830 10.539 1.00 0.00 H ATOM 347 HD2 LYS A 21 2.951 4.408 8.790 1.00 0.00 H ATOM 348 HD3 LYS A 21 3.642 4.570 10.421 1.00 0.00 H ATOM 349 HE2 LYS A 21 0.665 4.876 9.875 1.00 0.00 H ATOM 350 HE3 LYS A 21 1.474 4.631 11.440 1.00 0.00 H ATOM 351 HZ1 LYS A 21 1.401 2.673 9.196 1.00 0.00 H ATOM 352 HZ2 LYS A 21 2.173 2.439 10.691 1.00 0.00 H ATOM 353 HZ3 LYS A 21 0.481 2.582 10.622 1.00 0.00 H ATOM 354 H LYS A 21 0.293 8.453 6.914 1.00 0.00 H ATOM 355 N ASN A 22 0.927 9.572 10.484 1.00 0.00 N ATOM 356 CA ASN A 22 1.447 10.790 11.100 1.00 0.00 C ATOM 357 C ASN A 22 2.164 11.689 10.092 1.00 0.00 C ATOM 358 O ASN A 22 3.369 11.561 9.878 1.00 0.00 O ATOM 359 CB ASN A 22 2.417 10.423 12.223 1.00 0.00 C ATOM 360 CG ASN A 22 2.198 11.338 13.421 1.00 0.00 C ATOM 361 OD1 ASN A 22 2.406 10.930 14.563 1.00 0.00 O ATOM 362 ND2 ASN A 22 1.785 12.562 13.229 1.00 0.00 N ATOM 363 HA ASN A 22 0.595 11.344 11.495 1.00 0.00 H ATOM 364 HB2 ASN A 22 2.248 9.389 12.523 1.00 0.00 H ATOM 365 HB3 ASN A 22 3.441 10.534 11.866 1.00 0.00 H ATOM 366 HD22 ASN A 22 1.609 12.906 12.263 1.00 0.00 H ATOM 367 HD21 ASN A 22 1.632 13.193 14.042 1.00 0.00 H ATOM 368 H ASN A 22 0.095 9.110 10.903 1.00 0.00 H ATOM 369 N ARG A 23 1.418 12.620 9.503 1.00 0.00 N ATOM 370 CA ARG A 23 1.989 13.567 8.545 1.00 0.00 C ATOM 371 C ARG A 23 2.437 12.878 7.262 1.00 0.00 C ATOM 372 O ARG A 23 2.705 13.540 6.259 1.00 0.00 O ATOM 373 CB ARG A 23 3.184 14.286 9.177 1.00 0.00 C ATOM 374 CG ARG A 23 2.844 14.689 10.613 1.00 0.00 C ATOM 375 CD ARG A 23 1.525 15.465 10.631 1.00 0.00 C ATOM 376 NE ARG A 23 1.575 16.575 9.685 1.00 0.00 N ATOM 377 CZ ARG A 23 0.488 17.286 9.403 1.00 0.00 C ATOM 378 NH1 ARG A 23 -0.649 16.988 9.968 1.00 0.00 N ATOM 379 NH2 ARG A 23 0.557 18.281 8.561 1.00 0.00 N ATOM 380 HA ARG A 23 1.210 14.284 8.288 1.00 0.00 H ATOM 381 HB2 ARG A 23 4.047 13.620 9.182 1.00 0.00 H ATOM 382 HB3 ARG A 23 3.419 15.178 8.596 1.00 0.00 H ATOM 383 HG2 ARG A 23 2.747 13.794 11.228 1.00 0.00 H ATOM 384 HG3 ARG A 23 3.640 15.318 11.012 1.00 0.00 H ATOM 385 HD2 ARG A 23 1.351 15.855 11.634 1.00 0.00 H ATOM 386 HD3 ARG A 23 0.710 14.795 10.357 1.00 0.00 H ATOM 387 HE ARG A 23 2.476 16.814 9.224 1.00 0.00 H ATOM 388 HH12 ARG A 23 -1.500 17.544 9.748 1.00 0.00 H ATOM 389 HH11 ARG A 23 -0.704 16.195 10.638 1.00 0.00 H ATOM 390 HH22 ARG A 23 -0.294 18.836 8.341 1.00 0.00 H ATOM 391 HH21 ARG A 23 1.463 18.518 8.110 1.00 0.00 H ATOM 392 H ARG A 23 0.404 12.676 9.729 1.00 0.00 H ATOM 393 N HIS A 24 2.524 11.555 7.289 1.00 0.00 N ATOM 394 CA HIS A 24 2.948 10.819 6.108 1.00 0.00 C ATOM 395 C HIS A 24 1.783 10.045 5.505 1.00 0.00 C ATOM 396 O HIS A 24 0.822 9.705 6.196 1.00 0.00 O ATOM 397 CB HIS A 24 4.066 9.841 6.470 1.00 0.00 C ATOM 398 CG HIS A 24 5.116 10.555 7.276 1.00 0.00 C ATOM 399 ND1 HIS A 24 5.317 11.924 7.182 1.00 0.00 N ATOM 400 CD2 HIS A 24 6.029 10.105 8.197 1.00 0.00 C ATOM 401 CE1 HIS A 24 6.315 12.246 8.026 1.00 0.00 C ATOM 402 NE2 HIS A 24 6.784 11.174 8.670 1.00 0.00 N ATOM 403 HA HIS A 24 3.313 11.539 5.376 1.00 0.00 H ATOM 404 HB2 HIS A 24 3.654 9.019 7.056 1.00 0.00 H ATOM 405 HB3 HIS A 24 4.514 9.447 5.558 1.00 0.00 H ATOM 406 HD2 HIS A 24 6.145 9.067 8.510 1.00 0.00 H ATOM 407 HE1 HIS A 24 6.694 13.258 8.167 1.00 0.00 H ATOM 408 H HIS A 24 2.287 11.040 8.161 1.00 0.00 H ATOM 409 N LEU A 25 1.890 9.758 4.215 1.00 0.00 N ATOM 410 CA LEU A 25 0.857 9.007 3.514 1.00 0.00 C ATOM 411 C LEU A 25 1.383 7.629 3.166 1.00 0.00 C ATOM 412 O LEU A 25 2.458 7.502 2.585 1.00 0.00 O ATOM 413 CB LEU A 25 0.457 9.721 2.226 1.00 0.00 C ATOM 414 CG LEU A 25 -0.570 10.808 2.542 1.00 0.00 C ATOM 415 CD1 LEU A 25 -1.892 10.159 2.963 1.00 0.00 C ATOM 416 CD2 LEU A 25 -0.045 11.685 3.681 1.00 0.00 C ATOM 417 HA LEU A 25 -0.014 8.926 4.164 1.00 0.00 H ATOM 418 HB2 LEU A 25 1.339 10.175 1.773 1.00 0.00 H ATOM 419 HB3 LEU A 25 0.023 9.002 1.532 1.00 0.00 H ATOM 420 HG LEU A 25 -0.736 11.421 1.656 1.00 0.00 H ATOM 421 HD21 LEU A 25 0.119 11.070 4.566 1.00 0.00 H ATOM 422 HD22 LEU A 25 0.895 12.147 3.379 1.00 0.00 H ATOM 423 HD23 LEU A 25 -0.777 12.461 3.907 1.00 0.00 H ATOM 424 HD11 LEU A 25 -2.263 9.534 2.151 1.00 0.00 H ATOM 425 HD12 LEU A 25 -1.728 9.546 3.849 1.00 0.00 H ATOM 426 HD13 LEU A 25 -2.622 10.937 3.188 1.00 0.00 H ATOM 427 H LEU A 25 2.730 10.076 3.692 1.00 0.00 H ATOM 428 N ARG A 26 0.488 6.570 3.496 1.00 0.00 N ATOM 429 CA ARG A 26 0.926 5.218 3.205 1.00 0.00 C ATOM 430 C ARG A 26 0.072 4.589 2.118 1.00 0.00 C ATOM 431 O ARG A 26 -1.022 4.507 2.158 1.00 0.00 O ATOM 432 CB ARG A 26 0.859 4.356 4.463 1.00 0.00 C ATOM 433 CG ARG A 26 1.677 3.073 4.249 1.00 0.00 C ATOM 434 CD ARG A 26 2.636 2.837 5.422 1.00 0.00 C ATOM 435 NE ARG A 26 1.991 2.013 6.438 1.00 0.00 N ATOM 436 CZ ARG A 26 2.548 1.829 7.629 1.00 0.00 C ATOM 437 NH1 ARG A 26 3.686 2.400 7.913 1.00 0.00 N ATOM 438 NH2 ARG A 26 1.956 1.078 8.515 1.00 0.00 N ATOM 439 HA ARG A 26 1.957 5.271 2.854 1.00 0.00 H ATOM 440 HB2 ARG A 26 1.268 4.912 5.307 1.00 0.00 H ATOM 441 HB3 ARG A 26 -0.179 4.095 4.670 1.00 0.00 H ATOM 442 HG2 ARG A 26 0.997 2.225 4.167 1.00 0.00 H ATOM 443 HG3 ARG A 26 2.254 3.166 3.329 1.00 0.00 H ATOM 444 HD2 ARG A 26 2.915 3.796 5.859 1.00 0.00 H ATOM 445 HD3 ARG A 26 3.531 2.330 5.060 1.00 0.00 H ATOM 446 HE ARG A 26 1.078 1.562 6.226 1.00 0.00 H ATOM 447 HH12 ARG A 26 4.122 2.255 8.846 1.00 0.00 H ATOM 448 HH11 ARG A 26 4.158 3.000 7.206 1.00 0.00 H ATOM 449 HH22 ARG A 26 2.391 0.933 9.448 1.00 0.00 H ATOM 450 HH21 ARG A 26 1.048 0.624 8.289 1.00 0.00 H ATOM 451 H ARG A 26 -0.440 6.758 3.927 1.00 0.00 H ATOM 452 N ILE A 27 0.737 4.107 1.080 1.00 0.00 N ATOM 453 CA ILE A 27 0.045 3.465 -0.023 1.00 0.00 C ATOM 454 C ILE A 27 0.334 1.966 0.002 1.00 0.00 C ATOM 455 O ILE A 27 1.309 1.523 0.608 1.00 0.00 O ATOM 456 CB ILE A 27 0.495 4.081 -1.359 1.00 0.00 C ATOM 457 CG1 ILE A 27 -0.622 4.975 -1.907 1.00 0.00 C ATOM 458 CG2 ILE A 27 0.806 2.985 -2.385 1.00 0.00 C ATOM 459 CD1 ILE A 27 -0.766 6.212 -1.018 1.00 0.00 C ATOM 460 HA ILE A 27 -1.029 3.621 0.080 1.00 0.00 H ATOM 461 HB ILE A 27 1.397 4.667 -1.184 1.00 0.00 H ATOM 462 HG12 ILE A 27 -0.376 5.284 -2.923 1.00 0.00 H ATOM 463 HG13 ILE A 27 -1.561 4.421 -1.915 1.00 0.00 H ATOM 464 HD11 ILE A 27 -1.013 5.901 -0.003 1.00 0.00 H ATOM 465 HD12 ILE A 27 0.173 6.765 -1.012 1.00 0.00 H ATOM 466 HD13 ILE A 27 -1.561 6.848 -1.408 1.00 0.00 H ATOM 467 HG21 ILE A 27 1.604 2.348 -2.004 1.00 0.00 H ATOM 468 HG22 ILE A 27 -0.088 2.386 -2.557 1.00 0.00 H ATOM 469 HG23 ILE A 27 1.122 3.445 -3.321 1.00 0.00 H ATOM 470 H ILE A 27 1.773 4.190 1.054 1.00 0.00 H ATOM 471 N TYR A 28 -0.375 1.234 -0.648 1.00 0.00 N ATOM 472 CA TYR A 28 -0.209 -0.214 -0.698 1.00 0.00 C ATOM 473 C TYR A 28 0.040 -0.669 -2.134 1.00 0.00 C ATOM 474 O TYR A 28 -0.264 0.054 -3.083 1.00 0.00 O ATOM 475 CB TYR A 28 -1.460 -0.896 -0.147 1.00 0.00 C ATOM 476 CG TYR A 28 -1.502 -0.735 1.355 1.00 0.00 C ATOM 477 CD1 TYR A 28 -0.513 -1.328 2.151 1.00 0.00 C ATOM 478 CD2 TYR A 28 -2.525 0.011 1.953 1.00 0.00 C ATOM 479 CE1 TYR A 28 -0.549 -1.176 3.543 1.00 0.00 C ATOM 480 CE2 TYR A 28 -2.562 0.162 3.344 1.00 0.00 C ATOM 481 CZ TYR A 28 -1.573 -0.431 4.139 1.00 0.00 C ATOM 482 OH TYR A 28 -1.608 -0.281 5.511 1.00 0.00 O ATOM 483 HA TYR A 28 0.651 -0.492 -0.088 1.00 0.00 H ATOM 484 HB3 TYR A 28 -1.437 -1.956 -0.398 1.00 0.00 H ATOM 485 HB2 TYR A 28 -2.347 -0.439 -0.587 1.00 0.00 H ATOM 486 HD2 TYR A 28 -3.293 0.475 1.334 1.00 0.00 H ATOM 487 HE2 TYR A 28 -3.360 0.741 3.808 1.00 0.00 H ATOM 488 HE1 TYR A 28 0.220 -1.638 4.162 1.00 0.00 H ATOM 489 HD1 TYR A 28 0.285 -1.908 1.687 1.00 0.00 H ATOM 490 HH TYR A 28 -0.841 -0.760 5.914 1.00 0.00 H ATOM 491 H TYR A 28 -1.145 1.660 -1.202 1.00 0.00 H ATOM 492 N ASN A 29 0.599 -1.865 -2.291 1.00 0.00 N ATOM 493 CA ASN A 29 0.884 -2.389 -3.623 1.00 0.00 C ATOM 494 C ASN A 29 -0.339 -3.095 -4.199 1.00 0.00 C ATOM 495 O ASN A 29 -0.399 -3.373 -5.397 1.00 0.00 O ATOM 496 CB ASN A 29 2.060 -3.366 -3.562 1.00 0.00 C ATOM 497 CG ASN A 29 2.263 -4.023 -4.923 1.00 0.00 C ATOM 498 OD1 ASN A 29 2.517 -3.337 -5.913 1.00 0.00 O ATOM 499 ND2 ASN A 29 2.167 -5.320 -5.033 1.00 0.00 N ATOM 500 HA ASN A 29 1.142 -1.552 -4.271 1.00 0.00 H ATOM 501 HB2 ASN A 29 2.965 -2.826 -3.283 1.00 0.00 H ATOM 502 HB3 ASN A 29 1.853 -4.134 -2.817 1.00 0.00 H ATOM 503 HD22 ASN A 29 1.952 -5.898 -4.196 1.00 0.00 H ATOM 504 HD21 ASN A 29 2.305 -5.775 -5.958 1.00 0.00 H ATOM 505 H ASN A 29 0.836 -2.435 -1.454 1.00 0.00 H ATOM 506 N MET A 30 -1.311 -3.382 -3.342 1.00 0.00 N ATOM 507 CA MET A 30 -2.528 -4.055 -3.783 1.00 0.00 C ATOM 508 C MET A 30 -3.749 -3.466 -3.087 1.00 0.00 C ATOM 509 O MET A 30 -3.718 -3.193 -1.889 1.00 0.00 O ATOM 510 CB MET A 30 -2.439 -5.551 -3.476 1.00 0.00 C ATOM 511 CG MET A 30 -1.267 -6.166 -4.247 1.00 0.00 C ATOM 512 SD MET A 30 0.189 -6.240 -3.177 1.00 0.00 S ATOM 513 CE MET A 30 -0.401 -7.551 -2.077 1.00 0.00 C ATOM 514 HA MET A 30 -2.630 -3.909 -4.858 1.00 0.00 H ATOM 515 HB2 MET A 30 -2.284 -5.693 -2.406 1.00 0.00 H ATOM 516 HB3 MET A 30 -3.366 -6.039 -3.776 1.00 0.00 H ATOM 517 HG2 MET A 30 -1.045 -5.553 -5.121 1.00 0.00 H ATOM 518 HG3 MET A 30 -1.533 -7.173 -4.569 1.00 0.00 H ATOM 519 HE1 MET A 30 -1.320 -7.227 -1.588 1.00 0.00 H ATOM 520 HE2 MET A 30 -0.595 -8.452 -2.659 1.00 0.00 H ATOM 521 HE3 MET A 30 0.358 -7.760 -1.324 1.00 0.00 H ATOM 522 H MET A 30 -1.203 -3.123 -2.341 1.00 0.00 H ATOM 523 N CYS A 31 -4.823 -3.273 -3.843 1.00 0.00 N ATOM 524 CA CYS A 31 -6.048 -2.718 -3.278 1.00 0.00 C ATOM 525 C CYS A 31 -6.535 -3.573 -2.115 1.00 0.00 C ATOM 526 O CYS A 31 -6.015 -4.660 -1.872 1.00 0.00 O ATOM 527 CB CYS A 31 -7.139 -2.646 -4.350 1.00 0.00 C ATOM 528 SG CYS A 31 -6.404 -2.139 -5.924 1.00 0.00 S ATOM 529 HA CYS A 31 -5.832 -1.713 -2.914 1.00 0.00 H ATOM 530 HB2 CYS A 31 -7.895 -1.920 -4.051 1.00 0.00 H ATOM 531 HB3 CYS A 31 -7.602 -3.626 -4.464 1.00 0.00 H ATOM 532 HG CYS A 31 -7.388 -2.074 -6.890 1.00 0.00 H ATOM 533 H CYS A 31 -4.791 -3.521 -4.852 1.00 0.00 H ATOM 534 N LYS A 32 -7.538 -3.074 -1.402 1.00 0.00 N ATOM 535 CA LYS A 32 -8.092 -3.798 -0.263 1.00 0.00 C ATOM 536 C LYS A 32 -8.576 -5.180 -0.685 1.00 0.00 C ATOM 537 O LYS A 32 -8.358 -6.167 0.018 1.00 0.00 O ATOM 538 CB LYS A 32 -9.262 -3.012 0.324 1.00 0.00 C ATOM 539 CG LYS A 32 -9.124 -2.938 1.846 1.00 0.00 C ATOM 540 CD LYS A 32 -10.494 -2.665 2.470 1.00 0.00 C ATOM 541 CE LYS A 32 -10.382 -1.512 3.469 1.00 0.00 C ATOM 542 NZ LYS A 32 -9.411 -1.875 4.540 1.00 0.00 N ATOM 543 HA LYS A 32 -7.309 -3.914 0.486 1.00 0.00 H ATOM 544 HB2 LYS A 32 -9.264 -2.003 -0.089 1.00 0.00 H ATOM 545 HB3 LYS A 32 -10.197 -3.510 0.069 1.00 0.00 H ATOM 546 HG2 LYS A 32 -8.735 -3.884 2.222 1.00 0.00 H ATOM 547 HG3 LYS A 32 -8.437 -2.134 2.110 1.00 0.00 H ATOM 548 HD2 LYS A 32 -11.203 -2.399 1.686 1.00 0.00 H ATOM 549 HD3 LYS A 32 -10.843 -3.560 2.986 1.00 0.00 H ATOM 550 HE2 LYS A 32 -11.359 -1.320 3.913 1.00 0.00 H ATOM 551 HE3 LYS A 32 -10.036 -0.616 2.953 1.00 0.00 H ATOM 552 HZ1 LYS A 32 -9.742 -2.729 5.032 1.00 0.00 H ATOM 553 HZ2 LYS A 32 -8.480 -2.058 4.115 1.00 0.00 H ATOM 554 HZ3 LYS A 32 -9.336 -1.090 5.218 1.00 0.00 H ATOM 555 H LYS A 32 -7.936 -2.149 -1.661 1.00 0.00 H ATOM 556 N THR A 33 -9.237 -5.241 -1.834 1.00 0.00 N ATOM 557 CA THR A 33 -9.753 -6.504 -2.342 1.00 0.00 C ATOM 558 C THR A 33 -8.609 -7.450 -2.677 1.00 0.00 C ATOM 559 O THR A 33 -8.431 -8.481 -2.027 1.00 0.00 O ATOM 560 CB THR A 33 -10.598 -6.255 -3.593 1.00 0.00 C ATOM 561 OG1 THR A 33 -11.664 -5.373 -3.274 1.00 0.00 O ATOM 562 CG2 THR A 33 -11.164 -7.579 -4.099 1.00 0.00 C ATOM 563 HA THR A 33 -10.373 -6.961 -1.571 1.00 0.00 H ATOM 564 HB THR A 33 -9.976 -5.808 -4.369 1.00 0.00 H ATOM 565 HG1 THR A 33 -12.211 -5.212 -4.083 1.00 0.00 H ATOM 566 HG23 THR A 33 -10.344 -8.254 -4.343 1.00 0.00 H ATOM 567 HG21 THR A 33 -11.786 -8.027 -3.324 1.00 0.00 H ATOM 568 HG22 THR A 33 -11.765 -7.399 -4.990 1.00 0.00 H ATOM 569 H THR A 33 -9.389 -4.370 -2.382 1.00 0.00 H ATOM 570 N CYS A 34 -7.834 -7.091 -3.692 1.00 0.00 N ATOM 571 CA CYS A 34 -6.707 -7.915 -4.100 1.00 0.00 C ATOM 572 C CYS A 34 -5.764 -8.133 -2.926 1.00 0.00 C ATOM 573 O CYS A 34 -5.086 -9.155 -2.849 1.00 0.00 O ATOM 574 CB CYS A 34 -5.947 -7.246 -5.247 1.00 0.00 C ATOM 575 SG CYS A 34 -5.660 -5.505 -4.846 1.00 0.00 S ATOM 576 HA CYS A 34 -7.089 -8.878 -4.438 1.00 0.00 H ATOM 577 HB2 CYS A 34 -6.535 -7.316 -6.162 1.00 0.00 H ATOM 578 HB3 CYS A 34 -4.991 -7.748 -5.391 1.00 0.00 H ATOM 579 HG CYS A 34 -4.915 -5.418 -3.687 1.00 0.00 H ATOM 580 H CYS A 34 -8.035 -6.208 -4.203 1.00 0.00 H ATOM 581 N PHE A 35 -5.731 -7.166 -2.013 1.00 0.00 N ATOM 582 CA PHE A 35 -4.865 -7.264 -0.844 1.00 0.00 C ATOM 583 C PHE A 35 -5.234 -8.497 -0.038 1.00 0.00 C ATOM 584 O PHE A 35 -4.379 -9.319 0.291 1.00 0.00 O ATOM 585 CB PHE A 35 -5.008 -6.016 0.028 1.00 0.00 C ATOM 586 CG PHE A 35 -4.469 -6.310 1.407 1.00 0.00 C ATOM 587 CD1 PHE A 35 -3.142 -6.729 1.562 1.00 0.00 C ATOM 588 CD2 PHE A 35 -5.294 -6.168 2.527 1.00 0.00 C ATOM 589 CE1 PHE A 35 -2.640 -7.006 2.839 1.00 0.00 C ATOM 590 CE2 PHE A 35 -4.794 -6.446 3.805 1.00 0.00 C ATOM 591 CZ PHE A 35 -3.466 -6.864 3.961 1.00 0.00 C ATOM 592 HA PHE A 35 -3.830 -7.343 -1.177 1.00 0.00 H ATOM 593 HB2 PHE A 35 -4.446 -5.194 -0.416 1.00 0.00 H ATOM 594 HB3 PHE A 35 -6.060 -5.739 0.099 1.00 0.00 H ATOM 595 HD2 PHE A 35 -6.327 -5.841 2.405 1.00 0.00 H ATOM 596 HE2 PHE A 35 -5.438 -6.337 4.678 1.00 0.00 H ATOM 597 HZ PHE A 35 -3.076 -7.079 4.956 1.00 0.00 H ATOM 598 HE1 PHE A 35 -1.607 -7.332 2.960 1.00 0.00 H ATOM 599 HD1 PHE A 35 -2.500 -6.839 0.688 1.00 0.00 H ATOM 600 H PHE A 35 -6.333 -6.327 -2.135 1.00 0.00 H ATOM 601 N ASN A 36 -6.519 -8.629 0.250 1.00 0.00 N ATOM 602 CA ASN A 36 -7.009 -9.777 0.987 1.00 0.00 C ATOM 603 C ASN A 36 -6.799 -11.020 0.145 1.00 0.00 C ATOM 604 O ASN A 36 -6.396 -12.073 0.642 1.00 0.00 O ATOM 605 CB ASN A 36 -8.497 -9.604 1.278 1.00 0.00 C ATOM 606 CG ASN A 36 -8.699 -8.503 2.312 1.00 0.00 C ATOM 607 OD1 ASN A 36 -9.136 -8.773 3.430 1.00 0.00 O ATOM 608 ND2 ASN A 36 -8.401 -7.270 2.002 1.00 0.00 N ATOM 609 HA ASN A 36 -6.471 -9.869 1.930 1.00 0.00 H ATOM 610 HB2 ASN A 36 -9.017 -9.336 0.358 1.00 0.00 H ATOM 611 HB3 ASN A 36 -8.902 -10.540 1.663 1.00 0.00 H ATOM 612 HD22 ASN A 36 -8.032 -7.046 1.056 1.00 0.00 H ATOM 613 HD21 ASN A 36 -8.533 -6.512 2.701 1.00 0.00 H ATOM 614 H ASN A 36 -7.189 -7.896 -0.058 1.00 0.00 H ATOM 615 N ASN A 37 -7.061 -10.867 -1.145 1.00 0.00 N ATOM 616 CA ASN A 37 -6.887 -11.957 -2.091 1.00 0.00 C ATOM 617 C ASN A 37 -5.413 -12.296 -2.207 1.00 0.00 C ATOM 618 O ASN A 37 -5.038 -13.457 -2.378 1.00 0.00 O ATOM 619 CB ASN A 37 -7.433 -11.554 -3.460 1.00 0.00 C ATOM 620 CG ASN A 37 -8.178 -12.726 -4.091 1.00 0.00 C ATOM 621 OD1 ASN A 37 -9.165 -13.209 -3.534 1.00 0.00 O ATOM 622 ND2 ASN A 37 -7.765 -13.212 -5.228 1.00 0.00 N ATOM 623 HA ASN A 37 -7.434 -12.830 -1.735 1.00 0.00 H ATOM 624 HB2 ASN A 37 -8.116 -10.713 -3.343 1.00 0.00 H ATOM 625 HB3 ASN A 37 -6.606 -11.261 -4.107 1.00 0.00 H ATOM 626 HD22 ASN A 37 -6.932 -12.803 -5.696 1.00 0.00 H ATOM 627 HD21 ASN A 37 -8.269 -14.009 -5.667 1.00 0.00 H ATOM 628 H ASN A 37 -7.399 -9.945 -1.489 1.00 0.00 H ATOM 629 N SER A 38 -4.577 -11.271 -2.094 1.00 0.00 N ATOM 630 CA SER A 38 -3.140 -11.472 -2.169 1.00 0.00 C ATOM 631 C SER A 38 -2.738 -12.458 -1.097 1.00 0.00 C ATOM 632 O SER A 38 -1.800 -13.235 -1.264 1.00 0.00 O ATOM 633 CB SER A 38 -2.391 -10.156 -1.955 1.00 0.00 C ATOM 634 OG SER A 38 -1.990 -10.060 -0.595 1.00 0.00 O ATOM 635 HA SER A 38 -2.884 -11.852 -3.158 1.00 0.00 H ATOM 636 HB2 SER A 38 -3.045 -9.320 -2.202 1.00 0.00 H ATOM 637 HB3 SER A 38 -1.511 -10.129 -2.597 1.00 0.00 H ATOM 638 HG SER A 38 -2.791 -10.085 -0.014 1.00 0.00 H ATOM 639 H SER A 38 -4.955 -10.313 -1.950 1.00 0.00 H ATOM 640 N ILE A 39 -3.483 -12.441 -0.003 1.00 0.00 N ATOM 641 CA ILE A 39 -3.213 -13.365 1.079 1.00 0.00 C ATOM 642 C ILE A 39 -3.504 -14.763 0.583 1.00 0.00 C ATOM 643 O ILE A 39 -2.838 -15.731 0.952 1.00 0.00 O ATOM 644 CB ILE A 39 -4.095 -13.046 2.288 1.00 0.00 C ATOM 645 CG1 ILE A 39 -4.143 -11.531 2.501 1.00 0.00 C ATOM 646 CG2 ILE A 39 -3.522 -13.721 3.535 1.00 0.00 C ATOM 647 CD1 ILE A 39 -2.725 -10.996 2.718 1.00 0.00 C ATOM 648 HA ILE A 39 -2.172 -13.280 1.390 1.00 0.00 H ATOM 649 HB ILE A 39 -5.103 -13.419 2.108 1.00 0.00 H ATOM 650 HG12 ILE A 39 -4.580 -11.055 1.623 1.00 0.00 H ATOM 651 HG13 ILE A 39 -4.753 -11.307 3.376 1.00 0.00 H ATOM 652 HD11 ILE A 39 -2.289 -11.472 3.597 1.00 0.00 H ATOM 653 HD12 ILE A 39 -2.116 -11.220 1.842 1.00 0.00 H ATOM 654 HD13 ILE A 39 -2.764 -9.917 2.869 1.00 0.00 H ATOM 655 HG21 ILE A 39 -3.493 -14.800 3.382 1.00 0.00 H ATOM 656 HG22 ILE A 39 -2.513 -13.351 3.715 1.00 0.00 H ATOM 657 HG23 ILE A 39 -4.153 -13.491 4.393 1.00 0.00 H ATOM 658 H ILE A 39 -4.266 -11.761 0.080 1.00 0.00 H ATOM 659 N LYS A 40 -4.500 -14.837 -0.285 1.00 0.00 N ATOM 660 CA LYS A 40 -4.894 -16.099 -0.884 1.00 0.00 C ATOM 661 C LYS A 40 -3.927 -16.456 -2.000 1.00 0.00 C ATOM 662 O LYS A 40 -3.138 -17.394 -1.896 1.00 0.00 O ATOM 663 CB LYS A 40 -6.307 -15.979 -1.459 1.00 0.00 C ATOM 664 CG LYS A 40 -7.249 -16.939 -0.730 1.00 0.00 C ATOM 665 CD LYS A 40 -8.552 -17.070 -1.521 1.00 0.00 C ATOM 666 CE LYS A 40 -9.521 -17.983 -0.766 1.00 0.00 C ATOM 667 NZ LYS A 40 -10.869 -17.903 -1.397 1.00 0.00 N ATOM 668 HA LYS A 40 -4.877 -16.878 -0.122 1.00 0.00 H ATOM 669 HB2 LYS A 40 -6.663 -14.957 -1.332 1.00 0.00 H ATOM 670 HB3 LYS A 40 -6.288 -16.227 -2.520 1.00 0.00 H ATOM 671 HG2 LYS A 40 -6.776 -17.917 -0.643 1.00 0.00 H ATOM 672 HG3 LYS A 40 -7.465 -16.551 0.266 1.00 0.00 H ATOM 673 HD2 LYS A 40 -9.002 -16.085 -1.644 1.00 0.00 H ATOM 674 HD3 LYS A 40 -8.340 -17.497 -2.501 1.00 0.00 H ATOM 675 HE2 LYS A 40 -9.586 -17.664 0.274 1.00 0.00 H ATOM 676 HE3 LYS A 40 -9.160 -19.011 -0.807 1.00 0.00 H ATOM 677 HZ1 LYS A 40 -11.212 -16.922 -1.356 1.00 0.00 H ATOM 678 HZ2 LYS A 40 -10.805 -18.208 -2.389 1.00 0.00 H ATOM 679 HZ3 LYS A 40 -11.528 -18.523 -0.884 1.00 0.00 H ATOM 680 H LYS A 40 -5.013 -13.970 -0.544 1.00 0.00 H ATOM 681 N SER A 41 -4.018 -15.678 -3.069 1.00 0.00 N ATOM 682 CA SER A 41 -3.176 -15.869 -4.236 1.00 0.00 C ATOM 683 C SER A 41 -1.726 -15.531 -3.924 1.00 0.00 C ATOM 684 O SER A 41 -0.818 -16.321 -4.183 1.00 0.00 O ATOM 685 CB SER A 41 -3.666 -14.980 -5.377 1.00 0.00 C ATOM 686 OG SER A 41 -4.945 -15.429 -5.806 1.00 0.00 O ATOM 687 HA SER A 41 -3.235 -16.917 -4.529 1.00 0.00 H ATOM 688 HB2 SER A 41 -2.963 -15.034 -6.208 1.00 0.00 H ATOM 689 HB3 SER A 41 -3.739 -13.949 -5.030 1.00 0.00 H ATOM 690 HG SER A 41 -5.264 -14.854 -6.546 1.00 0.00 H ATOM 691 H SER A 41 -4.715 -14.906 -3.072 1.00 0.00 H ATOM 692 N GLY A 42 -1.522 -14.336 -3.382 1.00 0.00 N ATOM 693 CA GLY A 42 -0.183 -13.874 -3.050 1.00 0.00 C ATOM 694 C GLY A 42 0.427 -14.717 -1.946 1.00 0.00 C ATOM 695 O GLY A 42 1.563 -15.177 -2.059 1.00 0.00 O ATOM 696 HA3 GLY A 42 -0.236 -12.837 -2.719 1.00 0.00 H ATOM 697 HA2 GLY A 42 0.447 -13.939 -3.937 1.00 0.00 H ATOM 698 H GLY A 42 -2.336 -13.718 -3.191 1.00 0.00 H ATOM 699 N ASP A 43 -0.336 -14.916 -0.879 1.00 0.00 N ATOM 700 CA ASP A 43 0.142 -15.704 0.249 1.00 0.00 C ATOM 701 C ASP A 43 1.395 -15.069 0.844 1.00 0.00 C ATOM 702 O ASP A 43 1.471 -14.829 2.049 1.00 0.00 O ATOM 703 CB ASP A 43 0.454 -17.122 -0.217 1.00 0.00 C ATOM 704 CG ASP A 43 0.911 -17.975 0.964 1.00 0.00 C ATOM 705 OD1 ASP A 43 0.620 -17.600 2.088 1.00 0.00 O ATOM 706 OD2 ASP A 43 1.543 -18.992 0.726 1.00 0.00 O ATOM 707 HA ASP A 43 -0.633 -15.734 1.015 1.00 0.00 H ATOM 708 HB2 ASP A 43 -0.441 -17.563 -0.655 1.00 0.00 H ATOM 709 HB3 ASP A 43 1.245 -17.090 -0.966 1.00 0.00 H ATOM 710 H ASP A 43 -1.290 -14.503 -0.847 1.00 0.00 H ATOM 711 N ASP A 44 2.372 -14.795 -0.015 1.00 0.00 N ATOM 712 CA ASP A 44 3.623 -14.181 0.421 1.00 0.00 C ATOM 713 C ASP A 44 4.316 -13.492 -0.752 1.00 0.00 C ATOM 714 O ASP A 44 5.456 -13.815 -1.085 1.00 0.00 O ATOM 715 CB ASP A 44 4.554 -15.246 1.004 1.00 0.00 C ATOM 716 CG ASP A 44 4.011 -15.742 2.339 1.00 0.00 C ATOM 717 OD1 ASP A 44 3.055 -16.500 2.322 1.00 0.00 O ATOM 718 OD2 ASP A 44 4.561 -15.361 3.360 1.00 0.00 O ATOM 719 HA ASP A 44 3.394 -13.439 1.186 1.00 0.00 H ATOM 720 HB2 ASP A 44 4.624 -16.083 0.310 1.00 0.00 H ATOM 721 HB3 ASP A 44 5.544 -14.816 1.154 1.00 0.00 H ATOM 722 H ASP A 44 2.242 -15.023 -1.021 1.00 0.00 H ATOM 723 N THR A 45 3.623 -12.545 -1.380 1.00 0.00 N ATOM 724 CA THR A 45 4.194 -11.828 -2.517 1.00 0.00 C ATOM 725 C THR A 45 3.487 -10.492 -2.733 1.00 0.00 C ATOM 726 O THR A 45 2.467 -10.207 -2.107 1.00 0.00 O ATOM 727 CB THR A 45 4.067 -12.681 -3.784 1.00 0.00 C ATOM 728 OG1 THR A 45 3.672 -13.998 -3.428 1.00 0.00 O ATOM 729 CG2 THR A 45 5.412 -12.729 -4.511 1.00 0.00 C ATOM 730 HA THR A 45 5.245 -11.634 -2.304 1.00 0.00 H ATOM 731 HB THR A 45 3.318 -12.241 -4.443 1.00 0.00 H ATOM 732 HG1 THR A 45 2.799 -13.965 -2.962 1.00 0.00 H ATOM 733 HG23 THR A 45 5.713 -11.717 -4.783 1.00 0.00 H ATOM 734 HG21 THR A 45 6.163 -13.169 -3.855 1.00 0.00 H ATOM 735 HG22 THR A 45 5.315 -13.335 -5.412 1.00 0.00 H ATOM 736 H THR A 45 2.662 -12.313 -1.057 1.00 0.00 H ATOM 737 N TYR A 46 4.038 -9.681 -3.632 1.00 0.00 N ATOM 738 CA TYR A 46 3.456 -8.379 -3.937 1.00 0.00 C ATOM 739 C TYR A 46 3.227 -7.576 -2.659 1.00 0.00 C ATOM 740 O TYR A 46 2.702 -6.462 -2.699 1.00 0.00 O ATOM 741 CB TYR A 46 2.130 -8.560 -4.675 1.00 0.00 C ATOM 742 CG TYR A 46 2.213 -9.776 -5.568 1.00 0.00 C ATOM 743 CD1 TYR A 46 3.149 -9.819 -6.608 1.00 0.00 C ATOM 744 CD2 TYR A 46 1.353 -10.860 -5.358 1.00 0.00 C ATOM 745 CE1 TYR A 46 3.225 -10.946 -7.437 1.00 0.00 C ATOM 746 CE2 TYR A 46 1.429 -11.987 -6.185 1.00 0.00 C ATOM 747 CZ TYR A 46 2.365 -12.030 -7.225 1.00 0.00 C ATOM 748 OH TYR A 46 2.439 -13.140 -8.041 1.00 0.00 O ATOM 749 HA TYR A 46 4.153 -7.832 -4.572 1.00 0.00 H ATOM 750 HB3 TYR A 46 1.927 -7.677 -5.281 1.00 0.00 H ATOM 751 HB2 TYR A 46 1.326 -8.695 -3.951 1.00 0.00 H ATOM 752 HD2 TYR A 46 0.623 -10.827 -4.549 1.00 0.00 H ATOM 753 HE2 TYR A 46 0.759 -12.831 -6.019 1.00 0.00 H ATOM 754 HE1 TYR A 46 3.954 -10.979 -8.247 1.00 0.00 H ATOM 755 HD1 TYR A 46 3.819 -8.975 -6.773 1.00 0.00 H ATOM 756 HH TYR A 46 3.149 -13.004 -8.718 1.00 0.00 H ATOM 757 H TYR A 46 4.902 -9.982 -4.128 1.00 0.00 H ATOM 758 N HIS A 47 3.628 -8.144 -1.527 1.00 0.00 N ATOM 759 CA HIS A 47 3.464 -7.469 -0.244 1.00 0.00 C ATOM 760 C HIS A 47 4.448 -6.308 -0.124 1.00 0.00 C ATOM 761 O HIS A 47 5.637 -6.514 0.121 1.00 0.00 O ATOM 762 CB HIS A 47 3.696 -8.460 0.899 1.00 0.00 C ATOM 763 CG HIS A 47 5.070 -9.058 0.772 1.00 0.00 C ATOM 764 ND1 HIS A 47 5.456 -9.794 -0.338 1.00 0.00 N ATOM 765 CD2 HIS A 47 6.161 -9.036 1.605 1.00 0.00 C ATOM 766 CE1 HIS A 47 6.731 -10.182 -0.144 1.00 0.00 C ATOM 767 NE2 HIS A 47 7.209 -9.746 1.025 1.00 0.00 N ATOM 768 HA HIS A 47 2.448 -7.078 -0.184 1.00 0.00 H ATOM 769 HB2 HIS A 47 3.612 -7.940 1.854 1.00 0.00 H ATOM 770 HB3 HIS A 47 2.949 -9.252 0.851 1.00 0.00 H ATOM 771 HD2 HIS A 47 6.201 -8.538 2.574 1.00 0.00 H ATOM 772 HE1 HIS A 47 7.303 -10.779 -0.854 1.00 0.00 H ATOM 773 H HIS A 47 4.067 -9.087 -1.556 1.00 0.00 H ATOM 774 N GLY A 48 3.944 -5.090 -0.297 1.00 0.00 N ATOM 775 CA GLY A 48 4.789 -3.902 -0.206 1.00 0.00 C ATOM 776 C GLY A 48 3.942 -2.638 -0.094 1.00 0.00 C ATOM 777 O GLY A 48 2.810 -2.595 -0.578 1.00 0.00 O ATOM 778 HA3 GLY A 48 5.411 -3.837 -1.099 1.00 0.00 H ATOM 779 HA2 GLY A 48 5.426 -3.984 0.674 1.00 0.00 H ATOM 780 H GLY A 48 2.930 -4.981 -0.501 1.00 0.00 H ATOM 781 N HIS A 49 4.496 -1.611 0.543 1.00 0.00 N ATOM 782 CA HIS A 49 3.779 -0.354 0.708 1.00 0.00 C ATOM 783 C HIS A 49 4.724 0.831 0.542 1.00 0.00 C ATOM 784 O HIS A 49 5.942 0.687 0.648 1.00 0.00 O ATOM 785 CB HIS A 49 3.107 -0.297 2.082 1.00 0.00 C ATOM 786 CG HIS A 49 4.079 -0.735 3.145 1.00 0.00 C ATOM 787 ND1 HIS A 49 5.151 -1.574 2.876 1.00 0.00 N ATOM 788 CD2 HIS A 49 4.159 -0.449 4.486 1.00 0.00 C ATOM 789 CE1 HIS A 49 5.823 -1.757 4.027 1.00 0.00 C ATOM 790 NE2 HIS A 49 5.259 -1.093 5.040 1.00 0.00 N ATOM 791 HA HIS A 49 3.011 -0.299 -0.063 1.00 0.00 H ATOM 792 HB2 HIS A 49 2.784 0.724 2.285 1.00 0.00 H ATOM 793 HB3 HIS A 49 2.241 -0.958 2.089 1.00 0.00 H ATOM 794 HD2 HIS A 49 3.464 0.188 5.034 1.00 0.00 H ATOM 795 HE1 HIS A 49 6.718 -2.372 4.122 1.00 0.00 H ATOM 796 H HIS A 49 5.457 -1.707 0.930 1.00 0.00 H ATOM 797 N VAL A 50 4.294 2.046 0.270 1.00 0.00 N ATOM 798 CA VAL A 50 5.091 3.252 0.080 1.00 0.00 C ATOM 799 C VAL A 50 4.649 4.348 1.049 1.00 0.00 C ATOM 800 O VAL A 50 3.455 4.613 1.195 1.00 0.00 O ATOM 801 CB VAL A 50 4.945 3.727 -1.376 1.00 0.00 C ATOM 802 CG1 VAL A 50 4.675 5.233 -1.428 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.234 3.417 -2.141 1.00 0.00 C ATOM 804 HA VAL A 50 6.138 3.028 0.285 1.00 0.00 H ATOM 805 HB VAL A 50 4.104 3.205 -1.832 1.00 0.00 H ATOM 806 HG11 VAL A 50 3.753 5.454 -0.890 1.00 0.00 H ATOM 807 HG12 VAL A 50 5.505 5.766 -0.964 1.00 0.00 H ATOM 808 HG13 VAL A 50 4.575 5.547 -2.467 1.00 0.00 H ATOM 809 HG21 VAL A 50 7.069 3.936 -1.669 1.00 0.00 H ATOM 810 HG22 VAL A 50 6.416 2.342 -2.124 1.00 0.00 H ATOM 811 HG23 VAL A 50 6.132 3.753 -3.173 1.00 0.00 H ATOM 812 H VAL A 50 3.264 2.158 0.180 1.00 0.00 H ATOM 813 N ASP A 51 5.478 4.948 1.699 1.00 0.00 N ATOM 814 CA ASP A 51 5.163 6.023 2.632 1.00 0.00 C ATOM 815 C ASP A 51 5.684 7.351 2.106 1.00 0.00 C ATOM 816 O ASP A 51 6.836 7.457 1.686 1.00 0.00 O ATOM 817 CB ASP A 51 5.771 5.749 4.011 1.00 0.00 C ATOM 818 CG ASP A 51 5.546 4.293 4.401 1.00 0.00 C ATOM 819 OD1 ASP A 51 4.988 3.564 3.597 1.00 0.00 O ATOM 820 OD2 ASP A 51 5.934 3.927 5.497 1.00 0.00 O ATOM 821 HA ASP A 51 4.078 6.072 2.729 1.00 0.00 H ATOM 822 HB2 ASP A 51 6.841 5.954 3.981 1.00 0.00 H ATOM 823 HB3 ASP A 51 5.299 6.398 4.749 1.00 0.00 H ATOM 824 H ASP A 51 6.476 4.679 1.584 1.00 0.00 H ATOM 825 N TRP A 52 4.827 8.360 2.140 1.00 0.00 N ATOM 826 CA TRP A 52 5.202 9.683 1.672 1.00 0.00 C ATOM 827 C TRP A 52 5.324 10.629 2.856 1.00 0.00 C ATOM 828 O TRP A 52 4.460 10.652 3.728 1.00 0.00 O ATOM 829 CB TRP A 52 4.141 10.212 0.705 1.00 0.00 C ATOM 830 CG TRP A 52 4.803 10.814 -0.491 1.00 0.00 C ATOM 831 CD1 TRP A 52 5.636 11.880 -0.465 1.00 0.00 C ATOM 832 CD2 TRP A 52 4.703 10.408 -1.887 1.00 0.00 C ATOM 833 NE1 TRP A 52 6.052 12.155 -1.754 1.00 0.00 N ATOM 834 CE2 TRP A 52 5.504 11.276 -2.667 1.00 0.00 C ATOM 835 CE3 TRP A 52 4.000 9.383 -2.546 1.00 0.00 C ATOM 836 CZ2 TRP A 52 5.606 11.131 -4.050 1.00 0.00 C ATOM 837 CZ3 TRP A 52 4.102 9.234 -3.939 1.00 0.00 C ATOM 838 CH2 TRP A 52 4.901 10.107 -4.690 1.00 0.00 C ATOM 839 HA TRP A 52 6.160 9.620 1.156 1.00 0.00 H ATOM 840 HB2 TRP A 52 3.498 9.391 0.388 1.00 0.00 H ATOM 841 HB3 TRP A 52 3.540 10.970 1.206 1.00 0.00 H ATOM 842 HE1 TRP A 52 6.699 12.930 -2.006 1.00 0.00 H ATOM 843 HD1 TRP A 52 5.931 12.432 0.427 1.00 0.00 H ATOM 844 HZ2 TRP A 52 6.231 11.811 -4.628 1.00 0.00 H ATOM 845 HH2 TRP A 52 4.973 9.988 -5.771 1.00 0.00 H ATOM 846 HZ3 TRP A 52 3.556 8.434 -4.439 1.00 0.00 H ATOM 847 HE3 TRP A 52 3.373 8.701 -1.972 1.00 0.00 H ATOM 848 H TRP A 52 3.867 8.202 2.509 1.00 0.00 H ATOM 849 N LEU A 53 6.394 11.412 2.885 1.00 0.00 N ATOM 850 CA LEU A 53 6.595 12.350 3.979 1.00 0.00 C ATOM 851 C LEU A 53 6.376 13.769 3.485 1.00 0.00 C ATOM 852 O LEU A 53 6.444 14.039 2.286 1.00 0.00 O ATOM 853 CB LEU A 53 8.009 12.219 4.552 1.00 0.00 C ATOM 854 CG LEU A 53 8.154 10.879 5.275 1.00 0.00 C ATOM 855 CD1 LEU A 53 8.115 9.738 4.256 1.00 0.00 C ATOM 856 CD2 LEU A 53 9.489 10.846 6.022 1.00 0.00 C ATOM 857 HA LEU A 53 5.877 12.121 4.766 1.00 0.00 H ATOM 858 HB2 LEU A 53 8.735 12.273 3.741 1.00 0.00 H ATOM 859 HB3 LEU A 53 8.191 13.031 5.255 1.00 0.00 H ATOM 860 HG LEU A 53 7.334 10.760 5.984 1.00 0.00 H ATOM 861 HD21 LEU A 53 10.305 10.966 5.310 1.00 0.00 H ATOM 862 HD22 LEU A 53 9.517 11.657 6.749 1.00 0.00 H ATOM 863 HD23 LEU A 53 9.592 9.891 6.537 1.00 0.00 H ATOM 864 HD11 LEU A 53 7.165 9.761 3.723 1.00 0.00 H ATOM 865 HD12 LEU A 53 8.934 9.858 3.547 1.00 0.00 H ATOM 866 HD13 LEU A 53 8.219 8.785 4.775 1.00 0.00 H ATOM 867 H LEU A 53 7.095 11.355 2.119 1.00 0.00 H ATOM 868 N MET A 54 6.117 14.675 4.413 1.00 0.00 N ATOM 869 CA MET A 54 5.895 16.061 4.055 1.00 0.00 C ATOM 870 C MET A 54 7.208 16.681 3.615 1.00 0.00 C ATOM 871 O MET A 54 7.472 17.857 3.870 1.00 0.00 O ATOM 872 CB MET A 54 5.326 16.824 5.254 1.00 0.00 C ATOM 873 CG MET A 54 6.449 17.139 6.244 1.00 0.00 C ATOM 874 SD MET A 54 5.770 17.202 7.921 1.00 0.00 S ATOM 875 CE MET A 54 7.262 17.803 8.751 1.00 0.00 C ATOM 876 HA MET A 54 5.179 16.116 3.235 1.00 0.00 H ATOM 877 HB2 MET A 54 4.874 17.754 4.910 1.00 0.00 H ATOM 878 HB3 MET A 54 4.569 16.214 5.746 1.00 0.00 H ATOM 879 HG2 MET A 54 6.894 18.102 5.995 1.00 0.00 H ATOM 880 HG3 MET A 54 7.212 16.362 6.189 1.00 0.00 H ATOM 881 HE1 MET A 54 8.071 17.087 8.605 1.00 0.00 H ATOM 882 HE2 MET A 54 7.547 18.767 8.330 1.00 0.00 H ATOM 883 HE3 MET A 54 7.063 17.916 9.817 1.00 0.00 H ATOM 884 H MET A 54 6.072 14.389 5.412 1.00 0.00 H ATOM 885 N TYR A 55 8.040 15.872 2.964 1.00 0.00 N ATOM 886 CA TYR A 55 9.336 16.348 2.509 1.00 0.00 C ATOM 887 C TYR A 55 10.014 15.338 1.578 1.00 0.00 C ATOM 888 O TYR A 55 10.658 15.725 0.602 1.00 0.00 O ATOM 889 CB TYR A 55 10.227 16.599 3.728 1.00 0.00 C ATOM 890 CG TYR A 55 10.549 18.071 3.837 1.00 0.00 C ATOM 891 CD1 TYR A 55 11.562 18.629 3.048 1.00 0.00 C ATOM 892 CD2 TYR A 55 9.835 18.875 4.731 1.00 0.00 C ATOM 893 CE1 TYR A 55 11.860 19.993 3.156 1.00 0.00 C ATOM 894 CE2 TYR A 55 10.132 20.237 4.839 1.00 0.00 C ATOM 895 CZ TYR A 55 11.145 20.798 4.052 1.00 0.00 C ATOM 896 OH TYR A 55 11.438 22.141 4.160 1.00 0.00 O ATOM 897 HA TYR A 55 9.187 17.270 1.947 1.00 0.00 H ATOM 898 HB3 TYR A 55 11.153 16.033 3.622 1.00 0.00 H ATOM 899 HB2 TYR A 55 9.706 16.275 4.629 1.00 0.00 H ATOM 900 HD2 TYR A 55 9.046 18.439 5.344 1.00 0.00 H ATOM 901 HE2 TYR A 55 9.575 20.862 5.536 1.00 0.00 H ATOM 902 HE1 TYR A 55 12.649 20.429 2.543 1.00 0.00 H ATOM 903 HD1 TYR A 55 12.118 18.003 2.351 1.00 0.00 H ATOM 904 HH TYR A 55 12.173 22.368 3.537 1.00 0.00 H ATOM 905 H TYR A 55 7.760 14.888 2.779 1.00 0.00 H ATOM 906 N THR A 56 9.887 14.050 1.890 1.00 0.00 N ATOM 907 CA THR A 56 10.517 13.014 1.070 1.00 0.00 C ATOM 908 C THR A 56 9.610 11.796 0.913 1.00 0.00 C ATOM 909 O THR A 56 8.672 11.600 1.682 1.00 0.00 O ATOM 910 CB THR A 56 11.843 12.582 1.702 1.00 0.00 C ATOM 911 OG1 THR A 56 12.411 13.680 2.404 1.00 0.00 O ATOM 912 CG2 THR A 56 12.808 12.120 0.607 1.00 0.00 C ATOM 913 HA THR A 56 10.697 13.437 0.082 1.00 0.00 H ATOM 914 HB THR A 56 11.664 11.760 2.395 1.00 0.00 H ATOM 915 HG1 THR A 56 12.572 14.426 1.773 1.00 0.00 H ATOM 916 HG23 THR A 56 12.370 11.278 0.070 1.00 0.00 H ATOM 917 HG21 THR A 56 12.988 12.941 -0.087 1.00 0.00 H ATOM 918 HG22 THR A 56 13.750 11.813 1.061 1.00 0.00 H ATOM 919 H THR A 56 9.333 13.777 2.727 1.00 0.00 H ATOM 920 N ASP A 57 9.910 10.975 -0.088 1.00 0.00 N ATOM 921 CA ASP A 57 9.132 9.766 -0.343 1.00 0.00 C ATOM 922 C ASP A 57 9.962 8.539 0.021 1.00 0.00 C ATOM 923 O ASP A 57 11.190 8.571 -0.061 1.00 0.00 O ATOM 924 CB ASP A 57 8.734 9.705 -1.819 1.00 0.00 C ATOM 925 CG ASP A 57 7.373 9.030 -1.968 1.00 0.00 C ATOM 926 OD1 ASP A 57 6.820 8.627 -0.959 1.00 0.00 O ATOM 927 OD2 ASP A 57 6.906 8.928 -3.089 1.00 0.00 O ATOM 928 HA ASP A 57 8.229 9.784 0.267 1.00 0.00 H ATOM 929 HB2 ASP A 57 8.681 10.717 -2.220 1.00 0.00 H ATOM 930 HB3 ASP A 57 9.482 9.135 -2.371 1.00 0.00 H ATOM 931 H ASP A 57 10.718 11.199 -0.704 1.00 0.00 H ATOM 932 N ALA A 58 9.301 7.464 0.442 1.00 0.00 N ATOM 933 CA ALA A 58 10.022 6.258 0.828 1.00 0.00 C ATOM 934 C ALA A 58 9.309 4.998 0.347 1.00 0.00 C ATOM 935 O ALA A 58 8.112 5.014 0.062 1.00 0.00 O ATOM 936 CB ALA A 58 10.162 6.209 2.351 1.00 0.00 C ATOM 937 HA ALA A 58 11.005 6.292 0.359 1.00 0.00 H ATOM 938 HB1 ALA A 58 10.712 7.086 2.692 1.00 0.00 H ATOM 939 HB2 ALA A 58 9.171 6.201 2.806 1.00 0.00 H ATOM 940 HB3 ALA A 58 10.702 5.306 2.636 1.00 0.00 H ATOM 941 H ALA A 58 8.263 7.485 0.496 1.00 0.00 H ATOM 942 N LYS A 59 10.063 3.904 0.274 1.00 0.00 N ATOM 943 CA LYS A 59 9.515 2.625 -0.158 1.00 0.00 C ATOM 944 C LYS A 59 9.881 1.537 0.842 1.00 0.00 C ATOM 945 O LYS A 59 10.996 1.515 1.364 1.00 0.00 O ATOM 946 CB LYS A 59 10.076 2.244 -1.528 1.00 0.00 C ATOM 947 CG LYS A 59 9.244 2.896 -2.633 1.00 0.00 C ATOM 948 CD LYS A 59 10.045 2.910 -3.936 1.00 0.00 C ATOM 949 CE LYS A 59 9.983 1.528 -4.589 1.00 0.00 C ATOM 950 NZ LYS A 59 8.809 1.464 -5.504 1.00 0.00 N ATOM 951 HA LYS A 59 8.431 2.720 -0.221 1.00 0.00 H ATOM 952 HB2 LYS A 59 11.108 2.586 -1.604 1.00 0.00 H ATOM 953 HB3 LYS A 59 10.044 1.161 -1.643 1.00 0.00 H ATOM 954 HG2 LYS A 59 8.324 2.329 -2.778 1.00 0.00 H ATOM 955 HG3 LYS A 59 8.998 3.919 -2.347 1.00 0.00 H ATOM 956 HD2 LYS A 59 9.623 3.652 -4.614 1.00 0.00 H ATOM 957 HD3 LYS A 59 11.083 3.165 -3.722 1.00 0.00 H ATOM 958 HE2 LYS A 59 9.884 0.765 -3.817 1.00 0.00 H ATOM 959 HE3 LYS A 59 10.897 1.353 -5.157 1.00 0.00 H ATOM 960 HZ1 LYS A 59 7.938 1.631 -4.961 1.00 0.00 H ATOM 961 HZ2 LYS A 59 8.905 2.192 -6.240 1.00 0.00 H ATOM 962 HZ3 LYS A 59 8.768 0.524 -5.948 1.00 0.00 H ATOM 963 H LYS A 59 11.069 3.963 0.532 1.00 0.00 H ATOM 964 N GLU A 60 8.950 0.629 1.099 1.00 0.00 N ATOM 965 CA GLU A 60 9.212 -0.459 2.029 1.00 0.00 C ATOM 966 C GLU A 60 8.605 -1.755 1.510 1.00 0.00 C ATOM 967 O GLU A 60 7.541 -2.180 1.958 1.00 0.00 O ATOM 968 CB GLU A 60 8.639 -0.129 3.411 1.00 0.00 C ATOM 969 CG GLU A 60 7.359 0.694 3.256 1.00 0.00 C ATOM 970 CD GLU A 60 6.759 0.985 4.629 1.00 0.00 C ATOM 971 OE1 GLU A 60 7.415 0.692 5.615 1.00 0.00 O ATOM 972 OE2 GLU A 60 5.653 1.498 4.673 1.00 0.00 O ATOM 973 HA GLU A 60 10.291 -0.586 2.117 1.00 0.00 H ATOM 974 HB2 GLU A 60 8.413 -1.055 3.940 1.00 0.00 H ATOM 975 HB3 GLU A 60 9.372 0.444 3.980 1.00 0.00 H ATOM 976 HG2 GLU A 60 7.592 1.634 2.756 1.00 0.00 H ATOM 977 HG3 GLU A 60 6.640 0.135 2.658 1.00 0.00 H ATOM 978 H GLU A 60 8.023 0.695 0.631 1.00 0.00 H ATOM 979 N PHE A 61 9.295 -2.378 0.560 1.00 0.00 N ATOM 980 CA PHE A 61 8.821 -3.629 -0.020 1.00 0.00 C ATOM 981 C PHE A 61 9.454 -4.824 0.688 1.00 0.00 C ATOM 982 O PHE A 61 9.154 -5.098 1.850 1.00 0.00 O ATOM 983 CB PHE A 61 9.158 -3.674 -1.513 1.00 0.00 C ATOM 984 CG PHE A 61 8.074 -2.971 -2.292 1.00 0.00 C ATOM 985 CD1 PHE A 61 7.911 -1.588 -2.170 1.00 0.00 C ATOM 986 CD2 PHE A 61 7.231 -3.705 -3.133 1.00 0.00 C ATOM 987 CE1 PHE A 61 6.905 -0.935 -2.892 1.00 0.00 C ATOM 988 CE2 PHE A 61 6.223 -3.053 -3.855 1.00 0.00 C ATOM 989 CZ PHE A 61 6.060 -1.668 -3.734 1.00 0.00 C ATOM 990 HA PHE A 61 7.740 -3.680 0.108 1.00 0.00 H ATOM 991 HB2 PHE A 61 10.112 -3.176 -1.686 1.00 0.00 H ATOM 992 HB3 PHE A 61 9.227 -4.712 -1.840 1.00 0.00 H ATOM 993 HD2 PHE A 61 7.358 -4.783 -3.226 1.00 0.00 H ATOM 994 HE2 PHE A 61 5.566 -3.624 -4.511 1.00 0.00 H ATOM 995 HZ PHE A 61 5.275 -1.160 -4.295 1.00 0.00 H ATOM 996 HE1 PHE A 61 6.780 0.144 -2.799 1.00 0.00 H ATOM 997 HD1 PHE A 61 8.567 -1.018 -1.513 1.00 0.00 H ATOM 998 H PHE A 61 10.189 -1.966 0.224 1.00 0.00 H ATOM 999 N SER A 62 10.330 -5.531 -0.019 1.00 0.00 N ATOM 1000 CA SER A 62 10.997 -6.695 0.552 1.00 0.00 C ATOM 1001 C SER A 62 11.561 -6.370 1.932 1.00 0.00 C ATOM 1002 O SER A 62 12.604 -5.725 2.049 1.00 0.00 O ATOM 1003 CB SER A 62 12.127 -7.150 -0.370 1.00 0.00 C ATOM 1004 OG SER A 62 12.177 -8.570 -0.388 1.00 0.00 O ATOM 1005 HA SER A 62 10.265 -7.496 0.654 1.00 0.00 H ATOM 1006 HB2 SER A 62 13.076 -6.757 -0.005 1.00 0.00 H ATOM 1007 HB3 SER A 62 11.946 -6.779 -1.379 1.00 0.00 H ATOM 1008 HG SER A 62 12.909 -8.866 -0.985 1.00 0.00 H ATOM 1009 H SER A 62 10.543 -5.249 -0.997 1.00 0.00 H ATOM 1010 N SER A 63 10.868 -6.820 2.972 1.00 0.00 N ATOM 1011 CA SER A 63 11.312 -6.570 4.339 1.00 0.00 C ATOM 1012 C SER A 63 11.864 -7.849 4.965 1.00 0.00 C ATOM 1013 O SER A 63 12.918 -7.834 5.601 1.00 0.00 O ATOM 1014 CB SER A 63 10.146 -6.049 5.180 1.00 0.00 C ATOM 1015 OG SER A 63 9.150 -7.059 5.282 1.00 0.00 O ATOM 1016 HA SER A 63 12.103 -5.821 4.313 1.00 0.00 H ATOM 1017 HB2 SER A 63 9.721 -5.165 4.705 1.00 0.00 H ATOM 1018 HB3 SER A 63 10.503 -5.788 6.176 1.00 0.00 H ATOM 1019 HG SER A 63 8.395 -6.722 5.826 1.00 0.00 H ATOM 1020 H SER A 63 9.994 -7.360 2.809 1.00 0.00 H ATOM 1021 N THR A 64 11.147 -8.952 4.778 1.00 0.00 N ATOM 1022 CA THR A 64 11.579 -10.233 5.328 1.00 0.00 C ATOM 1023 C THR A 64 11.830 -10.113 6.827 1.00 0.00 C ATOM 1024 CB THR A 64 12.859 -10.696 4.629 1.00 0.00 C ATOM 1025 OG1 THR A 64 12.942 -10.085 3.349 1.00 0.00 O ATOM 1026 CG2 THR A 64 12.838 -12.217 4.472 1.00 0.00 C ATOM 1027 HA THR A 64 10.789 -10.965 5.161 1.00 0.00 H ATOM 1028 HB THR A 64 13.724 -10.410 5.227 1.00 0.00 H ATOM 1029 HG1 THR A 64 12.959 -9.101 3.455 1.00 0.00 H ATOM 1030 HG23 THR A 64 12.774 -12.682 5.456 1.00 0.00 H ATOM 1031 HG21 THR A 64 11.974 -12.507 3.875 1.00 0.00 H ATOM 1032 HG22 THR A 64 13.751 -12.542 3.974 1.00 0.00 H ATOM 1033 H THR A 64 10.264 -8.902 4.231 1.00 0.00 H TER 1034 THR A 64 HETATM 1035 ZN ZN A 1 -6.449 -4.532 -7.013 1.00 0.00 ZN HETATM 1036 PG ATP A 2 1.676 0.020 12.461 1.00 0.19 P HETATM 1037 O1G ATP A 2 0.867 -0.785 13.404 1.00 -0.61 O HETATM 1038 O2G ATP A 2 3.187 0.124 13.009 1.00 -0.61 O HETATM 1039 O3G ATP A 2 1.046 1.493 12.321 1.00 -0.61 O HETATM 1040 O3B ATP A 2 1.682 -0.698 11.017 1.00 -0.15 O HETATM 1041 PB ATP A 2 0.171 -0.646 10.463 1.00 0.36 P HETATM 1042 O1B ATP A 2 -0.780 -0.664 11.598 1.00 -0.57 O HETATM 1043 O2B ATP A 2 -0.049 0.697 9.602 1.00 -0.57 O HETATM 1044 O3A ATP A 2 -0.096 -1.926 9.524 1.00 -0.12 O HETATM 1045 PA ATP A 2 0.945 -1.834 8.300 1.00 0.33 P HETATM 1046 O1A ATP A 2 2.292 -1.498 8.812 1.00 -0.57 O HETATM 1047 O2A ATP A 2 0.467 -0.693 7.264 1.00 -0.57 O HETATM 1048 O5' ATP A 2 1.001 -3.257 7.544 1.00 -0.24 O HETATM 1049 C5' ATP A 2 1.546 -3.022 6.244 1.00 0.11 C HETATM 1050 C4' ATP A 2 2.669 -4.027 5.972 1.00 0.12 C HETATM 1051 O4' ATP A 2 2.147 -5.256 5.402 1.00 -0.34 O HETATM 1052 C1' ATP A 2 2.190 -5.136 3.946 1.00 0.20 C HETATM 1053 C2' ATP A 2 3.181 -4.000 3.606 1.00 0.14 C HETATM 1054 C3' ATP A 2 3.681 -3.482 4.959 1.00 0.11 C HETATM 1055 O3' ATP A 2 5.005 -3.933 5.264 1.00 -0.39 O HETATM 1056 H5 ATP A 2 5.613 -3.583 4.624 1.00 0.21 H HETATM 1057 H4 ATP A 2 3.673 -2.382 4.966 1.00 0.06 H HETATM 1058 O2' ATP A 2 4.271 -4.454 2.798 1.00 -0.38 O HETATM 1059 H7 ATP A 2 4.873 -3.735 2.647 1.00 0.21 H HETATM 1060 H6 ATP A 2 2.655 -3.198 3.067 1.00 0.07 H HETATM 1061 N9 ATP A 2 0.856 -4.819 3.424 1.00 -0.19 N HETATM 1062 C8 ATP A 2 -0.254 -4.537 4.170 1.00 0.11 C HETATM 1063 N7 ATP A 2 -1.233 -4.172 3.394 1.00 -0.30 N HETATM 1064 C5 ATP A 2 -0.872 -4.370 2.107 1.00 0.10 C HETATM 1065 C6 ATP A 2 -1.518 -4.278 0.848 1.00 0.13 C HETATM 1066 N6 ATP A 2 -2.879 -4.044 0.775 1.00 -0.32 N HETATM 1067 H10 ATP A 2 -3.342 -3.978 -0.143 1.00 0.18 H HETATM 1068 H11 ATP A 2 -3.430 -3.935 1.639 1.00 0.18 H HETATM 1069 N1 ATP A 2 -0.780 -4.422 -0.283 1.00 -0.27 N HETATM 1070 C2 ATP A 2 0.493 -4.837 -0.247 1.00 0.05 C HETATM 1071 N3 ATP A 2 1.123 -4.985 0.920 1.00 -0.27 N HETATM 1072 C4 ATP A 2 0.492 -4.758 2.102 1.00 0.16 C HETATM 1073 H12 ATP A 2 1.015 -5.054 -1.172 1.00 0.10 H HETATM 1074 H9 ATP A 2 -0.311 -4.607 5.255 1.00 0.13 H HETATM 1075 H8 ATP A 2 2.538 -6.081 3.503 1.00 0.10 H HETATM 1076 H3 ATP A 2 3.180 -4.247 6.921 1.00 0.07 H HETATM 1077 H1 ATP A 2 1.949 -2.000 6.195 1.00 0.06 H HETATM 1078 H2 ATP A 2 0.756 -3.142 5.488 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 122 121 126 1035 CONECT 165 164 169 1035 CONECT 528 527 532 1035 CONECT 575 574 579 1035 CONECT 1035 122 165 528 575 CONECT 1036 1037 1038 1039 1040 CONECT 1037 1036 CONECT 1038 1036 CONECT 1039 1036 CONECT 1040 1036 1041 CONECT 1041 1040 1042 1043 1044 CONECT 1042 1041 CONECT 1043 1041 CONECT 1044 1041 1045 CONECT 1045 1044 1046 1047 1048 CONECT 1046 1045 CONECT 1047 1045 CONECT 1048 1045 1049 CONECT 1049 1048 1050 1077 1078 CONECT 1050 1049 1051 1054 1076 CONECT 1051 1050 1052 CONECT 1052 1051 1053 1061 1075 CONECT 1053 1052 1054 1058 1060 CONECT 1054 1050 1053 1055 1057 CONECT 1055 1054 1056 CONECT 1056 1055 CONECT 1057 1054 CONECT 1058 1053 1059 CONECT 1059 1058 CONECT 1060 1053 CONECT 1061 1052 1062 1072 CONECT 1062 1061 1063 1074 CONECT 1063 1062 1064 CONECT 1064 1063 1065 1072 CONECT 1065 1064 1066 1069 CONECT 1066 1065 1067 1068 CONECT 1067 1066 CONECT 1068 1066 CONECT 1069 1065 1070 CONECT 1070 1069 1071 1073 CONECT 1071 1070 1072 CONECT 1072 1061 1064 1071 CONECT 1073 1070 CONECT 1074 1062 CONECT 1075 1052 CONECT 1076 1050 CONECT 1077 1049 CONECT 1078 1049 MASTER 0 0 0 0 0 0 0 0 1077 1 52 5 END
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1mau
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1maw
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ATP
1r0x
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PDBbind
ATP
1r10
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PDBbind
ATP
1vjc
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PDBbind
ATP
1vjd
RCSB PDB
PDBbind
ATP
1xsc
RCSB PDB
PDBbind
ATP
1y8p
RCSB PDB
PDBbind
ATP
1yid
RCSB PDB
PDBbind
ATP
2cbz
RCSB PDB
PDBbind
ATP
2e5y
RCSB PDB
PDBbind
ATP
2fgh
RCSB PDB
PDBbind
ATP
2hmu
RCSB PDB
PDBbind
ATP
2hmw
RCSB PDB
PDBbind
ATP
2j9l
RCSB PDB
PDBbind
ATP
2kmx
RCSB PDB
PDBbind
ATP
2p09
RCSB PDB
PDBbind
ATP
2pze
RCSB PDB
PDBbind
ATP
2vhq
RCSB PDB
PDBbind
ATP
2vt3
RCSB PDB
PDBbind
ATP
2w5g
RCSB PDB
PDBbind
ATP
2w5i
RCSB PDB
PDBbind
ATP
2xbp
RCSB PDB
PDBbind
ATP
2ych
RCSB PDB
PDBbind
ATP
3b2q
RCSB PDB
PDBbind
ATP
3d2e
RCSB PDB
PDBbind
ATP
3dgl
RCSB PDB
PDBbind
ATP
3dgo
RCSB PDB
PDBbind
ATP
3dnt
RCSB PDB
PDBbind
ATP
3efs
RCSB PDB
PDBbind
ATP
3lf0
RCSB PDB
PDBbind
ATP
3ncq
RCSB PDB
PDBbind
ATP
3qo3
RCSB PDB
PDBbind
ATP
3qx9
RCSB PDB
PDBbind
ATP
3qxc
RCSB PDB
PDBbind
ATP
3ta0
RCSB PDB
PDBbind
ATP
3umo
RCSB PDB
PDBbind
ATP
3ump
RCSB PDB
PDBbind
ATP
4fut
RCSB PDB
PDBbind
ATP
4fvq
RCSB PDB
PDBbind
ATP
4fvr
RCSB PDB
PDBbind
ATP
4jn4
RCSB PDB
PDBbind
ATP
4jne
RCSB PDB
PDBbind
ATP
4k8o
RCSB PDB
PDBbind
ATP
4ozn
RCSB PDB
PDBbind
ATP
4usw
RCSB PDB
PDBbind
ATP
4wz6
RCSB PDB
PDBbind
ATP
4yb7
RCSB PDB
PDBbind
ATP
5d6j
RCSB PDB
PDBbind
ATP
5eou
RCSB PDB
PDBbind
ATP
5f1c
RCSB PDB
PDBbind
ATP
5f1x
RCSB PDB
PDBbind
ATP
5ldk
RCSB PDB
PDBbind
ATP
5ldp
RCSB PDB
PDBbind
ATP
5svk
RCSB PDB
PDBbind
ATP
5svl
RCSB PDB
PDBbind
ATP
5tgc
RCSB PDB
PDBbind
ATP
5v2l
RCSB PDB
PDBbind
ATP
5wrs
RCSB PDB
PDBbind
ATP
5x9h
RCSB PDB
PDBbind
ATP
5z68
RCSB PDB
PDBbind
ATP
6cvv
RCSB PDB
PDBbind
ATP
6r4s
RCSB PDB
PDBbind
ATP
6ntb
RCSB PDB
PDBbind
ATP
6mm2
RCSB PDB
PDBbind
ATP
6h78
RCSB PDB
PDBbind
ATP
6h77
RCSB PDB
PDBbind
ATP
6aec
RCSB PDB
PDBbind
ATP
5xvu
RCSB PDB
PDBbind
ATP
Entry Information
PDB ID
2p0x
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
abiotic ATP-binding, folding optimized protein
Ligand Name
ATP
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=494nM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. 371: 501-513
Ligand Properties
Formula
C
1
0
H
1
9
N
5
O
1
3
P
3
Molecular Weight
510.205
Exact Mass
510.019
No. of atoms
50
No. of bonds
52
Polar Surface Area
329.38
LOGP Value
-6.07 (
Computed with XLOGP3
)
-2.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(OP(O)(O)O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H22N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-24,29-31H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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