Browse entries in the PDBbind-CN Database
HEADER 3FDT_COMPLEX COMPND 3FDT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 51 GLU GLU TYR VAL VAL GLU LYS VAL LEU ASP ARG ARG VAL SEQRES 2 A 51 VAL LYS GLY GLN VAL GLU TYR LEU LEU LYS TRP LYS GLY SEQRES 3 A 51 PHE SER GLU GLU HIS ASN THR TRP GLU PRO GLU LYS ASN SEQRES 4 A 51 LEU ASP CYS PRO GLU LEU ILE SER GLU PHE MET LYS HET ALA A 86 154 ATOM 1 N GLU A 2 19.327 29.247 10.402 1.00 42.71 N ATOM 2 CA GLU A 2 18.651 28.230 9.528 1.00 41.06 C ATOM 3 C GLU A 2 17.726 27.226 10.196 1.00 38.63 C ATOM 4 O GLU A 2 16.842 26.733 9.516 1.00 36.78 O ATOM 5 CB GLU A 2 19.633 27.442 8.741 1.00 42.23 C ATOM 6 CG GLU A 2 19.183 27.338 7.368 1.00 46.13 C ATOM 7 CD GLU A 2 20.033 26.390 6.591 1.00 55.02 C ATOM 8 OE1 GLU A 2 20.437 25.341 7.169 1.00 59.06 O ATOM 9 OE2 GLU A 2 20.291 26.699 5.397 1.00 58.85 O ATOM 10 HA GLU A 2 18.022 28.873 8.913 1.00 0.00 H ATOM 11 HB2 GLU A 2 20.603 27.939 8.769 1.00 0.00 H ATOM 12 HB3 GLU A 2 19.725 26.444 9.170 1.00 0.00 H ATOM 13 HG2 GLU A 2 18.153 26.982 7.357 1.00 0.00 H ATOM 14 HG3 GLU A 2 19.231 28.322 6.902 1.00 0.00 H ATOM 15 HN3 GLU A 2 19.916 28.760 11.107 1.00 0.00 H ATOM 16 HN2 GLU A 2 18.607 29.820 10.887 1.00 0.00 H ATOM 17 HN1 GLU A 2 19.925 29.864 9.816 1.00 0.00 H ATOM 18 N GLU A 3 17.942 26.896 11.475 1.00 35.83 N ATOM 19 CA GLU A 3 16.909 26.181 12.243 1.00 34.67 C ATOM 20 C GLU A 3 15.963 27.207 12.905 1.00 33.66 C ATOM 21 O GLU A 3 16.413 28.252 13.393 1.00 34.26 O ATOM 22 CB GLU A 3 17.531 25.222 13.268 1.00 34.22 C ATOM 23 HA GLU A 3 16.325 25.560 11.564 1.00 0.00 H ATOM 24 HB2 GLU A 3 18.146 24.487 12.749 1.00 0.00 H ATOM 25 HB3 GLU A 3 18.149 25.788 13.965 1.00 0.00 H ATOM 26 H GLU A 3 18.844 27.146 11.929 1.00 0.00 H ATOM 27 N TYR A 4 14.658 26.957 12.873 1.00 31.92 N ATOM 28 CA TYR A 4 13.687 27.883 13.435 1.00 30.50 C ATOM 29 C TYR A 4 12.585 27.093 14.111 1.00 29.86 C ATOM 30 O TYR A 4 12.339 25.950 13.773 1.00 28.85 O ATOM 31 CB TYR A 4 13.038 28.766 12.380 1.00 30.51 C ATOM 32 CG TYR A 4 13.983 29.627 11.574 1.00 31.14 C ATOM 33 CD1 TYR A 4 14.172 30.959 11.896 1.00 29.92 C ATOM 34 CD2 TYR A 4 14.655 29.103 10.455 1.00 29.29 C ATOM 35 CE1 TYR A 4 15.032 31.772 11.140 1.00 32.81 C ATOM 36 CE2 TYR A 4 15.502 29.889 9.684 1.00 31.10 C ATOM 37 CZ TYR A 4 15.688 31.215 10.032 1.00 32.65 C ATOM 38 OH TYR A 4 16.509 32.010 9.274 1.00 33.06 O ATOM 39 HA TYR A 4 14.225 28.522 14.136 1.00 0.00 H ATOM 40 HB3 TYR A 4 12.331 29.425 12.884 1.00 0.00 H ATOM 41 HB2 TYR A 4 12.500 28.120 11.687 1.00 0.00 H ATOM 42 HD2 TYR A 4 14.508 28.057 10.187 1.00 0.00 H ATOM 43 HE2 TYR A 4 16.012 29.467 8.818 1.00 0.00 H ATOM 44 HE1 TYR A 4 15.187 32.817 11.409 1.00 0.00 H ATOM 45 HD1 TYR A 4 13.645 31.384 12.750 1.00 0.00 H ATOM 46 HH TYR A 4 16.530 32.922 9.659 1.00 0.00 H ATOM 47 H TYR A 4 14.322 26.076 12.434 1.00 0.00 H ATOM 48 N VAL A 5 11.938 27.709 15.091 1.00 29.32 N ATOM 49 CA VAL A 5 10.814 27.103 15.765 1.00 28.59 C ATOM 50 C VAL A 5 9.612 27.060 14.816 1.00 28.23 C ATOM 51 O VAL A 5 9.279 28.054 14.138 1.00 27.28 O ATOM 52 CB VAL A 5 10.415 27.907 17.053 1.00 29.34 C ATOM 53 CG1 VAL A 5 9.253 27.231 17.724 1.00 28.67 C ATOM 54 CG2 VAL A 5 11.590 27.975 18.004 1.00 28.76 C ATOM 55 HA VAL A 5 11.104 26.095 16.061 1.00 0.00 H ATOM 56 HB VAL A 5 10.131 28.921 16.771 1.00 0.00 H ATOM 57 HG11 VAL A 5 8.407 27.199 17.038 1.00 0.00 H ATOM 58 HG12 VAL A 5 9.536 26.216 18.001 1.00 0.00 H ATOM 59 HG13 VAL A 5 8.976 27.790 18.618 1.00 0.00 H ATOM 60 HG21 VAL A 5 11.885 26.965 18.288 1.00 0.00 H ATOM 61 HG22 VAL A 5 12.425 28.474 17.513 1.00 0.00 H ATOM 62 HG23 VAL A 5 11.303 28.535 18.894 1.00 0.00 H ATOM 63 H VAL A 5 12.250 28.657 15.383 1.00 0.00 H ATOM 64 N VAL A 6 8.968 25.894 14.785 1.00 28.09 N ATOM 65 CA VAL A 6 7.786 25.671 13.971 1.00 26.45 C ATOM 66 C VAL A 6 6.533 25.866 14.822 1.00 27.68 C ATOM 67 O VAL A 6 6.437 25.408 15.977 1.00 27.59 O ATOM 68 CB VAL A 6 7.793 24.262 13.389 1.00 25.63 C ATOM 69 CG1 VAL A 6 6.595 24.061 12.499 1.00 23.68 C ATOM 70 CG2 VAL A 6 9.079 24.012 12.634 1.00 25.53 C ATOM 71 HA VAL A 6 7.788 26.388 13.150 1.00 0.00 H ATOM 72 HB VAL A 6 7.735 23.542 14.205 1.00 0.00 H ATOM 73 HG11 VAL A 6 5.684 24.203 13.081 1.00 0.00 H ATOM 74 HG12 VAL A 6 6.624 24.784 11.684 1.00 0.00 H ATOM 75 HG13 VAL A 6 6.613 23.051 12.090 1.00 0.00 H ATOM 76 HG21 VAL A 6 9.168 24.733 11.822 1.00 0.00 H ATOM 77 HG22 VAL A 6 9.925 24.121 13.313 1.00 0.00 H ATOM 78 HG23 VAL A 6 9.068 23.002 12.225 1.00 0.00 H ATOM 79 H VAL A 6 9.327 25.111 15.368 1.00 0.00 H ATOM 80 N GLU A 7 5.551 26.518 14.231 1.00 28.98 N ATOM 81 CA GLU A 7 4.254 26.695 14.886 1.00 30.55 C ATOM 82 C GLU A 7 3.211 25.624 14.560 1.00 29.51 C ATOM 83 O GLU A 7 2.516 25.130 15.462 1.00 29.46 O ATOM 84 CB GLU A 7 3.703 28.027 14.441 1.00 30.33 C ATOM 85 CG GLU A 7 2.465 28.382 15.133 1.00 37.92 C ATOM 86 CD GLU A 7 2.045 29.780 14.760 1.00 46.03 C ATOM 87 OE1 GLU A 7 2.926 30.625 14.437 1.00 51.14 O ATOM 88 OE2 GLU A 7 0.820 30.027 14.770 1.00 52.97 O ATOM 89 HA GLU A 7 4.435 26.625 15.959 1.00 0.00 H ATOM 90 HB2 GLU A 7 4.448 28.797 14.640 1.00 0.00 H ATOM 91 HB3 GLU A 7 3.505 27.983 13.370 1.00 0.00 H ATOM 92 HG2 GLU A 7 1.680 27.682 14.849 1.00 0.00 H ATOM 93 HG3 GLU A 7 2.626 28.329 16.210 1.00 0.00 H ATOM 94 H GLU A 7 5.701 26.914 13.281 1.00 0.00 H ATOM 95 N LYS A 8 3.074 25.288 13.275 1.00 28.05 N ATOM 96 CA LYS A 8 2.084 24.294 12.841 1.00 27.11 C ATOM 97 C LYS A 8 2.531 23.679 11.545 1.00 26.45 C ATOM 98 O LYS A 8 3.238 24.311 10.756 1.00 24.77 O ATOM 99 CB LYS A 8 0.705 24.939 12.646 1.00 28.00 C ATOM 100 HA LYS A 8 2.003 23.529 13.613 1.00 0.00 H ATOM 101 HB2 LYS A 8 0.373 25.375 13.588 1.00 0.00 H ATOM 102 HB3 LYS A 8 0.774 25.719 11.887 1.00 0.00 H ATOM 103 H LYS A 8 3.683 25.741 12.564 1.00 0.00 H ATOM 104 N VAL A 9 2.160 22.429 11.339 1.00 25.97 N ATOM 105 CA VAL A 9 2.349 21.768 10.027 1.00 25.36 C ATOM 106 C VAL A 9 0.998 21.891 9.362 1.00 26.53 C ATOM 107 O VAL A 9 0.006 21.473 9.946 1.00 25.83 O ATOM 108 CB VAL A 9 2.735 20.261 10.154 1.00 26.24 C ATOM 109 CG1 VAL A 9 2.627 19.524 8.786 1.00 25.55 C ATOM 110 CG2 VAL A 9 4.158 20.102 10.713 1.00 26.35 C ATOM 111 HA VAL A 9 3.165 22.230 9.472 1.00 0.00 H ATOM 112 HB VAL A 9 2.026 19.808 10.847 1.00 0.00 H ATOM 113 HG11 VAL A 9 1.602 19.588 8.420 1.00 0.00 H ATOM 114 HG12 VAL A 9 3.300 19.993 8.068 1.00 0.00 H ATOM 115 HG13 VAL A 9 2.904 18.478 8.916 1.00 0.00 H ATOM 116 HG21 VAL A 9 4.867 20.590 10.044 1.00 0.00 H ATOM 117 HG22 VAL A 9 4.213 20.562 11.700 1.00 0.00 H ATOM 118 HG23 VAL A 9 4.400 19.042 10.791 1.00 0.00 H ATOM 119 H VAL A 9 1.724 21.895 12.118 1.00 0.00 H ATOM 120 N LEU A 10 0.961 22.494 8.173 1.00 26.06 N ATOM 121 CA LEU A 10 -0.279 22.893 7.522 1.00 27.28 C ATOM 122 C LEU A 10 -0.679 21.947 6.422 1.00 27.17 C ATOM 123 O LEU A 10 -1.851 21.812 6.151 1.00 27.62 O ATOM 124 CB LEU A 10 -0.123 24.294 6.902 1.00 26.61 C ATOM 125 CG LEU A 10 0.138 25.505 7.801 1.00 28.95 C ATOM 126 CD1 LEU A 10 0.569 26.677 7.000 1.00 30.34 C ATOM 127 CD2 LEU A 10 -1.087 25.889 8.551 1.00 31.18 C ATOM 128 HA LEU A 10 -1.050 22.885 8.292 1.00 0.00 H ATOM 129 HB2 LEU A 10 0.710 24.237 6.201 1.00 0.00 H ATOM 130 HB3 LEU A 10 -1.043 24.500 6.355 1.00 0.00 H ATOM 131 HG LEU A 10 0.925 25.217 8.498 1.00 0.00 H ATOM 132 HD21 LEU A 10 -1.879 26.142 7.846 1.00 0.00 H ATOM 133 HD22 LEU A 10 -1.407 25.054 9.174 1.00 0.00 H ATOM 134 HD23 LEU A 10 -0.870 26.752 9.181 1.00 0.00 H ATOM 135 HD11 LEU A 10 1.487 26.433 6.466 1.00 0.00 H ATOM 136 HD12 LEU A 10 -0.212 26.933 6.284 1.00 0.00 H ATOM 137 HD13 LEU A 10 0.748 27.523 7.664 1.00 0.00 H ATOM 138 H LEU A 10 1.860 22.688 7.688 1.00 0.00 H ATOM 139 N ASP A 11 0.295 21.322 5.750 1.00 26.39 N ATOM 140 CA ASP A 11 -0.022 20.510 4.596 1.00 27.75 C ATOM 141 C ASP A 11 1.116 19.571 4.344 1.00 26.98 C ATOM 142 O ASP A 11 2.196 19.742 4.872 1.00 27.05 O ATOM 143 CB ASP A 11 -0.268 21.413 3.379 1.00 26.50 C ATOM 144 CG ASP A 11 -1.268 20.826 2.391 1.00 32.39 C ATOM 145 OD1 ASP A 11 -1.752 19.676 2.585 1.00 32.08 O ATOM 146 OD2 ASP A 11 -1.562 21.535 1.382 1.00 37.97 O ATOM 147 HA ASP A 11 -0.928 19.932 4.776 1.00 0.00 H ATOM 148 HB2 ASP A 11 -0.649 22.372 3.730 1.00 0.00 H ATOM 149 HB3 ASP A 11 0.680 21.567 2.863 1.00 0.00 H ATOM 150 H ASP A 11 1.283 21.421 6.059 1.00 0.00 H ATOM 151 N ARG A 12 0.860 18.576 3.529 1.00 27.48 N ATOM 152 CA ARG A 12 1.863 17.609 3.203 1.00 29.00 C ATOM 153 C ARG A 12 1.762 17.266 1.726 1.00 29.39 C ATOM 154 O ARG A 12 0.648 17.193 1.176 1.00 29.22 O ATOM 155 CB ARG A 12 1.518 16.385 3.990 1.00 29.21 C ATOM 156 CG ARG A 12 2.378 15.194 3.791 1.00 33.39 C ATOM 157 CD ARG A 12 1.688 14.077 4.514 1.00 37.15 C ATOM 158 NE ARG A 12 2.585 12.959 4.674 1.00 43.84 N ATOM 159 CZ ARG A 12 2.701 11.994 3.785 1.00 47.45 C ATOM 160 NH1 ARG A 12 1.971 12.032 2.674 1.00 48.40 N ATOM 161 NH2 ARG A 12 3.557 11.002 4.012 1.00 51.22 N ATOM 162 HA ARG A 12 2.865 17.979 3.422 1.00 0.00 H ATOM 163 HB2 ARG A 12 1.561 16.650 5.046 1.00 0.00 H ATOM 164 HB3 ARG A 12 0.498 16.102 3.729 1.00 0.00 H ATOM 165 HG2 ARG A 12 2.469 14.962 2.730 1.00 0.00 H ATOM 166 HG3 ARG A 12 3.369 15.365 4.211 1.00 0.00 H ATOM 167 HD2 ARG A 12 0.816 13.761 3.941 1.00 0.00 H ATOM 168 HD3 ARG A 12 1.368 14.426 5.496 1.00 0.00 H ATOM 169 HE ARG A 12 3.169 12.912 5.533 1.00 0.00 H ATOM 170 HH12 ARG A 12 2.058 11.273 1.968 1.00 0.00 H ATOM 171 HH11 ARG A 12 1.313 12.821 2.511 1.00 0.00 H ATOM 172 HH22 ARG A 12 3.658 10.234 3.318 1.00 0.00 H ATOM 173 HH21 ARG A 12 4.125 10.994 4.883 1.00 0.00 H ATOM 174 H ARG A 12 -0.089 18.488 3.112 1.00 0.00 H ATOM 175 N ARG A 13 2.902 17.023 1.088 1.00 28.98 N ATOM 176 CA ARG A 13 2.918 16.539 -0.311 1.00 29.32 C ATOM 177 C ARG A 13 4.039 15.535 -0.541 1.00 30.21 C ATOM 178 O ARG A 13 4.963 15.433 0.275 1.00 29.92 O ATOM 179 CB ARG A 13 3.060 17.700 -1.273 1.00 28.54 C ATOM 180 CG ARG A 13 4.406 18.343 -1.214 1.00 26.84 C ATOM 181 CD ARG A 13 4.404 19.586 -2.062 1.00 28.52 C ATOM 182 NE ARG A 13 5.760 20.119 -2.135 1.00 28.97 N ATOM 183 CZ ARG A 13 6.088 21.288 -2.691 1.00 31.93 C ATOM 184 NH1 ARG A 13 5.153 22.051 -3.232 1.00 33.62 N ATOM 185 NH2 ARG A 13 7.353 21.697 -2.716 1.00 33.50 N ATOM 186 HA ARG A 13 1.969 16.036 -0.495 1.00 0.00 H ATOM 187 HB2 ARG A 13 2.893 17.335 -2.286 1.00 0.00 H ATOM 188 HB3 ARG A 13 2.306 18.448 -1.029 1.00 0.00 H ATOM 189 HG2 ARG A 13 4.638 18.607 -0.182 1.00 0.00 H ATOM 190 HG3 ARG A 13 5.158 17.648 -1.588 1.00 0.00 H ATOM 191 HD2 ARG A 13 3.743 20.330 -1.617 1.00 0.00 H ATOM 192 HD3 ARG A 13 4.053 19.343 -3.065 1.00 0.00 H ATOM 193 HE ARG A 13 6.526 19.548 -1.725 1.00 0.00 H ATOM 194 HH12 ARG A 13 5.410 22.961 -3.665 1.00 0.00 H ATOM 195 HH11 ARG A 13 4.160 21.741 -3.225 1.00 0.00 H ATOM 196 HH22 ARG A 13 7.596 22.609 -3.152 1.00 0.00 H ATOM 197 HH21 ARG A 13 8.099 21.104 -2.300 1.00 0.00 H ATOM 198 H ARG A 13 3.804 17.176 1.583 1.00 0.00 H ATOM 199 N VAL A 14 3.947 14.779 -1.633 1.00 30.23 N ATOM 200 CA VAL A 14 5.025 13.873 -2.018 1.00 31.31 C ATOM 201 C VAL A 14 5.454 14.322 -3.414 1.00 31.46 C ATOM 202 O VAL A 14 4.638 14.410 -4.317 1.00 32.10 O ATOM 203 CB VAL A 14 4.592 12.408 -1.976 1.00 31.89 C ATOM 204 CG1 VAL A 14 5.751 11.513 -2.341 1.00 33.79 C ATOM 205 CG2 VAL A 14 4.077 12.031 -0.549 1.00 34.60 C ATOM 206 HA VAL A 14 5.859 13.923 -1.318 1.00 0.00 H ATOM 207 HB VAL A 14 3.785 12.269 -2.695 1.00 0.00 H ATOM 208 HG11 VAL A 14 6.094 11.756 -3.347 1.00 0.00 H ATOM 209 HG12 VAL A 14 6.564 11.666 -1.632 1.00 0.00 H ATOM 210 HG13 VAL A 14 5.429 10.472 -2.307 1.00 0.00 H ATOM 211 HG21 VAL A 14 4.875 12.186 0.177 1.00 0.00 H ATOM 212 HG22 VAL A 14 3.225 12.661 -0.294 1.00 0.00 H ATOM 213 HG23 VAL A 14 3.773 10.984 -0.539 1.00 0.00 H ATOM 214 H VAL A 14 3.092 14.835 -2.222 1.00 0.00 H ATOM 215 N VAL A 15 6.713 14.698 -3.549 1.00 29.99 N ATOM 216 CA VAL A 15 7.221 15.258 -4.780 1.00 30.85 C ATOM 217 C VAL A 15 8.629 14.693 -5.000 1.00 29.32 C ATOM 218 O VAL A 15 9.456 14.740 -4.111 1.00 28.13 O ATOM 219 CB VAL A 15 7.275 16.795 -4.726 1.00 30.33 C ATOM 220 CG1 VAL A 15 8.043 17.316 -5.924 1.00 32.68 C ATOM 221 CG2 VAL A 15 5.899 17.365 -4.748 1.00 33.74 C ATOM 222 HA VAL A 15 6.556 14.990 -5.601 1.00 0.00 H ATOM 223 HB VAL A 15 7.772 17.094 -3.803 1.00 0.00 H ATOM 224 HG11 VAL A 15 9.057 16.915 -5.906 1.00 0.00 H ATOM 225 HG12 VAL A 15 7.542 17.001 -6.840 1.00 0.00 H ATOM 226 HG13 VAL A 15 8.080 18.405 -5.885 1.00 0.00 H ATOM 227 HG21 VAL A 15 5.395 17.059 -5.665 1.00 0.00 H ATOM 228 HG22 VAL A 15 5.342 16.999 -3.886 1.00 0.00 H ATOM 229 HG23 VAL A 15 5.957 18.453 -4.709 1.00 0.00 H ATOM 230 H VAL A 15 7.360 14.587 -2.742 1.00 0.00 H ATOM 231 N LYS A 16 8.872 14.126 -6.185 1.00 29.24 N ATOM 232 CA LYS A 16 10.214 13.691 -6.587 1.00 28.92 C ATOM 233 C LYS A 16 10.786 12.727 -5.560 1.00 29.05 C ATOM 234 O LYS A 16 11.975 12.797 -5.230 1.00 30.25 O ATOM 235 CB LYS A 16 11.142 14.896 -6.752 1.00 28.64 C ATOM 236 CG LYS A 16 10.841 15.746 -7.969 1.00 31.17 C ATOM 237 CD LYS A 16 11.895 16.792 -8.185 1.00 32.15 C ATOM 238 CE LYS A 16 11.411 17.744 -9.240 1.00 35.15 C ATOM 239 NZ LYS A 16 12.362 18.848 -9.575 1.00 35.44 N ATOM 240 HA LYS A 16 10.137 13.178 -7.546 1.00 0.00 H ATOM 241 HB2 LYS A 16 11.050 15.523 -5.865 1.00 0.00 H ATOM 242 HB3 LYS A 16 12.166 14.531 -6.834 1.00 0.00 H ATOM 243 HG2 LYS A 16 10.795 15.103 -8.848 1.00 0.00 H ATOM 244 HG3 LYS A 16 9.878 16.237 -7.829 1.00 0.00 H ATOM 245 HD2 LYS A 16 12.073 17.332 -7.255 1.00 0.00 H ATOM 246 HD3 LYS A 16 12.821 16.319 -8.512 1.00 0.00 H ATOM 247 HE2 LYS A 16 10.481 18.192 -8.891 1.00 0.00 H ATOM 248 HE3 LYS A 16 11.220 17.174 -10.149 1.00 0.00 H ATOM 249 HZ1 LYS A 16 12.548 19.414 -8.723 1.00 0.00 H ATOM 250 HZ2 LYS A 16 13.254 18.442 -9.924 1.00 0.00 H ATOM 251 HZ3 LYS A 16 11.944 19.453 -10.310 1.00 0.00 H ATOM 252 H LYS A 16 8.081 13.988 -6.846 1.00 0.00 H ATOM 253 N GLY A 17 9.931 11.864 -5.029 1.00 28.11 N ATOM 254 CA GLY A 17 10.400 10.811 -4.162 1.00 28.91 C ATOM 255 C GLY A 17 10.600 11.247 -2.711 1.00 28.75 C ATOM 256 O GLY A 17 11.134 10.479 -1.907 1.00 28.74 O ATOM 257 HA3 GLY A 17 11.353 10.449 -4.546 1.00 0.00 H ATOM 258 HA2 GLY A 17 9.671 10.001 -4.180 1.00 0.00 H ATOM 259 H GLY A 17 8.916 11.947 -5.239 1.00 0.00 H ATOM 260 N GLN A 18 10.167 12.452 -2.364 1.00 27.94 N ATOM 261 CA GLN A 18 10.291 12.863 -0.964 1.00 27.93 C ATOM 262 C GLN A 18 9.015 13.447 -0.413 1.00 27.63 C ATOM 263 O GLN A 18 8.273 14.125 -1.141 1.00 27.69 O ATOM 264 CB GLN A 18 11.467 13.820 -0.784 1.00 27.26 C ATOM 265 CG GLN A 18 11.379 15.145 -1.465 1.00 26.99 C ATOM 266 CD GLN A 18 12.701 15.889 -1.364 1.00 30.01 C ATOM 267 OE1 GLN A 18 13.742 15.275 -1.606 1.00 31.48 O ATOM 268 NE2 GLN A 18 12.677 17.215 -1.018 1.00 27.06 N ATOM 269 HA GLN A 18 10.489 11.962 -0.383 1.00 0.00 H ATOM 270 HB2 GLN A 18 11.577 14.007 0.284 1.00 0.00 H ATOM 271 HB3 GLN A 18 12.359 13.318 -1.158 1.00 0.00 H ATOM 272 HG2 GLN A 18 11.133 14.992 -2.516 1.00 0.00 H ATOM 273 HG3 GLN A 18 10.597 15.739 -0.993 1.00 0.00 H ATOM 274 HE22 GLN A 18 11.770 17.685 -0.824 1.00 0.00 H ATOM 275 HE21 GLN A 18 13.566 17.751 -0.950 1.00 0.00 H ATOM 276 H GLN A 18 9.749 13.090 -3.070 1.00 0.00 H ATOM 277 N VAL A 19 8.745 13.159 0.859 1.00 26.46 N ATOM 278 CA VAL A 19 7.640 13.812 1.589 1.00 26.35 C ATOM 279 C VAL A 19 8.060 15.176 2.064 1.00 25.72 C ATOM 280 O VAL A 19 9.155 15.345 2.621 1.00 24.55 O ATOM 281 CB VAL A 19 7.170 12.962 2.805 1.00 27.19 C ATOM 282 CG1 VAL A 19 5.843 13.510 3.383 1.00 25.75 C ATOM 283 CG2 VAL A 19 7.018 11.479 2.369 1.00 26.82 C ATOM 284 HA VAL A 19 6.805 13.906 0.895 1.00 0.00 H ATOM 285 HB VAL A 19 7.919 13.025 3.594 1.00 0.00 H ATOM 286 HG11 VAL A 19 5.988 14.540 3.710 1.00 0.00 H ATOM 287 HG12 VAL A 19 5.072 13.477 2.613 1.00 0.00 H ATOM 288 HG13 VAL A 19 5.537 12.898 4.231 1.00 0.00 H ATOM 289 HG21 VAL A 19 6.281 11.411 1.569 1.00 0.00 H ATOM 290 HG22 VAL A 19 7.978 11.106 2.013 1.00 0.00 H ATOM 291 HG23 VAL A 19 6.689 10.883 3.220 1.00 0.00 H ATOM 292 H VAL A 19 9.329 12.454 1.352 1.00 0.00 H ATOM 293 N GLU A 20 7.186 16.162 1.848 1.00 25.00 N ATOM 294 CA GLU A 20 7.469 17.544 2.205 1.00 24.65 C ATOM 295 C GLU A 20 6.281 18.033 2.978 1.00 24.45 C ATOM 296 O GLU A 20 5.180 17.504 2.797 1.00 25.34 O ATOM 297 CB GLU A 20 7.653 18.419 0.961 1.00 25.21 C ATOM 298 CG GLU A 20 8.823 18.017 0.107 1.00 27.34 C ATOM 299 CD GLU A 20 9.183 19.024 -0.958 1.00 33.48 C ATOM 300 OE1 GLU A 20 8.315 19.825 -1.372 1.00 38.03 O ATOM 301 OE2 GLU A 20 10.358 19.018 -1.389 1.00 36.72 O ATOM 302 HA GLU A 20 8.392 17.600 2.782 1.00 0.00 H ATOM 303 HB2 GLU A 20 6.748 18.354 0.357 1.00 0.00 H ATOM 304 HB3 GLU A 20 7.800 19.450 1.284 1.00 0.00 H ATOM 305 HG2 GLU A 20 9.689 17.879 0.755 1.00 0.00 H ATOM 306 HG3 GLU A 20 8.582 17.073 -0.382 1.00 0.00 H ATOM 307 H GLU A 20 6.271 15.934 1.409 1.00 0.00 H ATOM 308 N TYR A 21 6.507 19.001 3.855 1.00 24.87 N ATOM 309 CA TYR A 21 5.482 19.521 4.748 1.00 25.03 C ATOM 310 C TYR A 21 5.497 20.993 4.642 1.00 23.90 C ATOM 311 O TYR A 21 6.568 21.612 4.600 1.00 24.15 O ATOM 312 CB TYR A 21 5.783 19.154 6.226 1.00 26.09 C ATOM 313 CG TYR A 21 5.649 17.696 6.467 1.00 26.59 C ATOM 314 CD1 TYR A 21 4.394 17.126 6.720 1.00 28.06 C ATOM 315 CD2 TYR A 21 6.750 16.878 6.406 1.00 27.33 C ATOM 316 CE1 TYR A 21 4.272 15.796 6.929 1.00 28.67 C ATOM 317 CE2 TYR A 21 6.627 15.521 6.609 1.00 26.84 C ATOM 318 CZ TYR A 21 5.408 15.005 6.841 1.00 27.37 C ATOM 319 OH TYR A 21 5.314 13.659 7.038 1.00 33.63 O ATOM 320 HA TYR A 21 4.520 19.093 4.465 1.00 0.00 H ATOM 321 HB3 TYR A 21 5.084 19.685 6.872 1.00 0.00 H ATOM 322 HB2 TYR A 21 6.801 19.460 6.466 1.00 0.00 H ATOM 323 HD2 TYR A 21 7.730 17.306 6.195 1.00 0.00 H ATOM 324 HE2 TYR A 21 7.505 14.876 6.582 1.00 0.00 H ATOM 325 HE1 TYR A 21 3.303 15.355 7.161 1.00 0.00 H ATOM 326 HD1 TYR A 21 3.508 17.761 6.749 1.00 0.00 H ATOM 327 HH TYR A 21 4.368 13.415 7.197 1.00 0.00 H ATOM 328 H TYR A 21 7.462 19.408 3.907 1.00 0.00 H ATOM 329 N LEU A 22 4.312 21.570 4.659 1.00 24.00 N ATOM 330 CA LEU A 22 4.207 23.013 4.617 1.00 24.29 C ATOM 331 C LEU A 22 4.192 23.532 6.034 1.00 24.16 C ATOM 332 O LEU A 22 3.289 23.200 6.792 1.00 24.54 O ATOM 333 CB LEU A 22 2.936 23.471 3.850 1.00 24.56 C ATOM 334 CG LEU A 22 2.686 24.996 3.741 1.00 26.11 C ATOM 335 CD1 LEU A 22 3.814 25.662 2.987 1.00 26.29 C ATOM 336 CD2 LEU A 22 1.355 25.377 3.027 1.00 25.95 C ATOM 337 HA LEU A 22 5.064 23.419 4.079 1.00 0.00 H ATOM 338 HB2 LEU A 22 3.004 23.076 2.836 1.00 0.00 H ATOM 339 HB3 LEU A 22 2.074 23.032 4.352 1.00 0.00 H ATOM 340 HG LEU A 22 2.624 25.344 4.772 1.00 0.00 H ATOM 341 HD21 LEU A 22 1.363 24.981 2.012 1.00 0.00 H ATOM 342 HD22 LEU A 22 0.515 24.954 3.577 1.00 0.00 H ATOM 343 HD23 LEU A 22 1.260 26.462 2.994 1.00 0.00 H ATOM 344 HD11 LEU A 22 4.752 25.492 3.515 1.00 0.00 H ATOM 345 HD12 LEU A 22 3.878 25.240 1.984 1.00 0.00 H ATOM 346 HD13 LEU A 22 3.622 26.733 2.920 1.00 0.00 H ATOM 347 H LEU A 22 3.451 20.988 4.703 1.00 0.00 H ATOM 348 N LEU A 23 5.172 24.364 6.381 1.00 24.09 N ATOM 349 CA LEU A 23 5.362 24.782 7.759 1.00 26.12 C ATOM 350 C LEU A 23 5.001 26.248 7.946 1.00 27.75 C ATOM 351 O LEU A 23 5.381 27.094 7.133 1.00 28.59 O ATOM 352 CB LEU A 23 6.834 24.592 8.177 1.00 25.66 C ATOM 353 CG LEU A 23 7.406 23.165 8.054 1.00 24.33 C ATOM 354 CD1 LEU A 23 8.868 23.068 8.628 1.00 24.69 C ATOM 355 CD2 LEU A 23 6.475 22.093 8.647 1.00 22.84 C ATOM 356 HA LEU A 23 4.709 24.166 8.377 1.00 0.00 H ATOM 357 HB2 LEU A 23 7.443 25.248 7.554 1.00 0.00 H ATOM 358 HB3 LEU A 23 6.924 24.896 9.220 1.00 0.00 H ATOM 359 HG LEU A 23 7.466 22.950 6.987 1.00 0.00 H ATOM 360 HD21 LEU A 23 6.316 22.297 9.706 1.00 0.00 H ATOM 361 HD22 LEU A 23 5.519 22.114 8.124 1.00 0.00 H ATOM 362 HD23 LEU A 23 6.933 21.111 8.530 1.00 0.00 H ATOM 363 HD11 LEU A 23 9.519 23.746 8.077 1.00 0.00 H ATOM 364 HD12 LEU A 23 8.862 23.345 9.682 1.00 0.00 H ATOM 365 HD13 LEU A 23 9.232 22.046 8.521 1.00 0.00 H ATOM 366 H LEU A 23 5.817 24.723 5.648 1.00 0.00 H ATOM 367 N LYS A 24 4.293 26.522 9.035 1.00 28.12 N ATOM 368 CA LYS A 24 4.046 27.863 9.515 1.00 28.50 C ATOM 369 C LYS A 24 5.059 28.089 10.624 1.00 28.44 C ATOM 370 O LYS A 24 5.059 27.391 11.639 1.00 28.03 O ATOM 371 CB LYS A 24 2.605 27.975 10.060 1.00 28.75 C ATOM 372 CG LYS A 24 2.349 29.211 10.936 1.00 30.72 C ATOM 373 CD LYS A 24 2.208 30.459 10.126 1.00 33.31 C ATOM 374 CE LYS A 24 1.812 31.706 11.003 1.00 33.57 C ATOM 375 NZ LYS A 24 2.723 31.863 12.204 1.00 37.45 N ATOM 376 HA LYS A 24 4.146 28.607 8.724 1.00 0.00 H ATOM 377 HB2 LYS A 24 1.922 28.011 9.212 1.00 0.00 H ATOM 378 HB3 LYS A 24 2.396 27.086 10.655 1.00 0.00 H ATOM 379 HG2 LYS A 24 1.432 29.055 11.504 1.00 0.00 H ATOM 380 HG3 LYS A 24 3.185 29.332 11.625 1.00 0.00 H ATOM 381 HD2 LYS A 24 3.158 30.665 9.633 1.00 0.00 H ATOM 382 HD3 LYS A 24 1.436 30.302 9.373 1.00 0.00 H ATOM 383 HE2 LYS A 24 0.787 31.581 11.352 1.00 0.00 H ATOM 384 HE3 LYS A 24 1.879 32.604 10.389 1.00 0.00 H ATOM 385 HZ1 LYS A 24 2.660 31.012 12.799 1.00 0.00 H ATOM 386 HZ2 LYS A 24 3.703 31.989 11.880 1.00 0.00 H ATOM 387 HZ3 LYS A 24 2.429 32.695 12.755 1.00 0.00 H ATOM 388 H LYS A 24 3.893 25.727 9.573 1.00 0.00 H ATOM 389 N TRP A 25 5.977 29.016 10.403 1.00 28.82 N ATOM 390 CA TRP A 25 7.050 29.232 11.373 1.00 29.99 C ATOM 391 C TRP A 25 6.618 30.129 12.530 1.00 31.17 C ATOM 392 O TRP A 25 5.918 31.141 12.317 1.00 32.01 O ATOM 393 CB TRP A 25 8.256 29.812 10.671 1.00 28.96 C ATOM 394 CG TRP A 25 8.733 28.968 9.521 1.00 29.16 C ATOM 395 CD1 TRP A 25 8.389 29.106 8.225 1.00 28.41 C ATOM 396 CD2 TRP A 25 9.688 27.900 9.583 1.00 26.75 C ATOM 397 NE1 TRP A 25 9.033 28.154 7.467 1.00 27.78 N ATOM 398 CE2 TRP A 25 9.867 27.427 8.275 1.00 27.74 C ATOM 399 CE3 TRP A 25 10.405 27.302 10.620 1.00 26.69 C ATOM 400 CZ2 TRP A 25 10.712 26.357 7.972 1.00 27.04 C ATOM 401 CZ3 TRP A 25 11.267 26.264 10.327 1.00 27.15 C ATOM 402 CH2 TRP A 25 11.432 25.809 9.003 1.00 27.43 C ATOM 403 HA TRP A 25 7.307 28.266 11.807 1.00 0.00 H ATOM 404 HB2 TRP A 25 7.995 30.800 10.292 1.00 0.00 H ATOM 405 HB3 TRP A 25 9.067 29.904 11.393 1.00 0.00 H ATOM 406 HE1 TRP A 25 8.907 28.010 6.445 1.00 0.00 H ATOM 407 HD1 TRP A 25 7.704 29.859 7.835 1.00 0.00 H ATOM 408 HZ2 TRP A 25 10.796 25.972 6.956 1.00 0.00 H ATOM 409 HH2 TRP A 25 12.143 25.009 8.795 1.00 0.00 H ATOM 410 HZ3 TRP A 25 11.828 25.789 11.132 1.00 0.00 H ATOM 411 HE3 TRP A 25 10.286 27.649 11.646 1.00 0.00 H ATOM 412 H TRP A 25 5.935 29.592 9.538 1.00 0.00 H ATOM 413 N LYS A 26 7.014 29.762 13.749 1.00 32.58 N ATOM 414 CA LYS A 26 6.561 30.520 14.941 1.00 33.25 C ATOM 415 C LYS A 26 7.093 31.955 14.996 1.00 33.27 C ATOM 416 O LYS A 26 8.312 32.200 14.846 1.00 33.00 O ATOM 417 CB LYS A 26 6.877 29.768 16.239 1.00 33.68 C ATOM 418 CG LYS A 26 6.255 30.443 17.482 1.00 37.34 C ATOM 419 CD LYS A 26 5.969 29.446 18.585 1.00 43.80 C ATOM 420 CE LYS A 26 5.820 30.181 19.902 1.00 48.88 C ATOM 421 NZ LYS A 26 5.530 29.227 21.013 1.00 54.11 N ATOM 422 HA LYS A 26 5.479 30.601 14.841 1.00 0.00 H ATOM 423 HB2 LYS A 26 6.486 28.754 16.159 1.00 0.00 H ATOM 424 HB3 LYS A 26 7.959 29.730 16.366 1.00 0.00 H ATOM 425 HG2 LYS A 26 6.948 31.195 17.858 1.00 0.00 H ATOM 426 HG3 LYS A 26 5.321 30.924 17.191 1.00 0.00 H ATOM 427 HD2 LYS A 26 5.047 28.910 18.361 1.00 0.00 H ATOM 428 HD3 LYS A 26 6.793 28.735 18.656 1.00 0.00 H ATOM 429 HE2 LYS A 26 5.001 30.896 19.822 1.00 0.00 H ATOM 430 HE3 LYS A 26 6.745 30.714 20.121 1.00 0.00 H ATOM 431 HZ1 LYS A 26 4.645 28.719 20.810 1.00 0.00 H ATOM 432 HZ2 LYS A 26 6.311 28.545 21.096 1.00 0.00 H ATOM 433 HZ3 LYS A 26 5.432 29.754 21.904 1.00 0.00 H ATOM 434 H LYS A 26 7.643 28.942 13.865 1.00 0.00 H ATOM 435 N GLY A 27 6.167 32.892 15.183 1.00 33.41 N ATOM 436 CA GLY A 27 6.462 34.317 15.158 1.00 34.17 C ATOM 437 C GLY A 27 6.580 34.934 13.767 1.00 34.14 C ATOM 438 O GLY A 27 6.710 36.140 13.650 1.00 35.00 O ATOM 439 HA3 GLY A 27 7.407 34.475 15.678 1.00 0.00 H ATOM 440 HA2 GLY A 27 5.665 34.836 15.690 1.00 0.00 H ATOM 441 H GLY A 27 5.186 32.592 15.355 1.00 0.00 H ATOM 442 N PHE A 28 6.535 34.136 12.708 1.00 33.56 N ATOM 443 CA PHE A 28 6.630 34.693 11.333 1.00 33.14 C ATOM 444 C PHE A 28 5.242 34.722 10.691 1.00 34.37 C ATOM 445 O PHE A 28 4.438 33.832 10.956 1.00 35.51 O ATOM 446 CB PHE A 28 7.494 33.798 10.448 1.00 31.04 C ATOM 447 CG PHE A 28 8.963 33.832 10.757 1.00 30.05 C ATOM 448 CD1 PHE A 28 9.827 34.551 9.959 1.00 30.79 C ATOM 449 CD2 PHE A 28 9.483 33.113 11.815 1.00 26.87 C ATOM 450 CE1 PHE A 28 11.201 34.571 10.230 1.00 28.10 C ATOM 451 CE2 PHE A 28 10.840 33.110 12.082 1.00 28.97 C ATOM 452 CZ PHE A 28 11.698 33.857 11.289 1.00 27.46 C ATOM 453 HA PHE A 28 7.060 35.692 11.412 1.00 0.00 H ATOM 454 HB2 PHE A 28 7.147 32.771 10.563 1.00 0.00 H ATOM 455 HB3 PHE A 28 7.358 34.112 9.413 1.00 0.00 H ATOM 456 HD2 PHE A 28 8.811 32.537 12.452 1.00 0.00 H ATOM 457 HE2 PHE A 28 11.233 32.523 12.912 1.00 0.00 H ATOM 458 HZ PHE A 28 12.766 33.876 11.508 1.00 0.00 H ATOM 459 HE1 PHE A 28 11.874 35.153 9.600 1.00 0.00 H ATOM 460 HD1 PHE A 28 9.437 35.110 9.108 1.00 0.00 H ATOM 461 H PHE A 28 6.432 33.110 12.841 1.00 0.00 H ATOM 462 N SER A 29 4.965 35.709 9.830 1.00 35.28 N ATOM 463 CA SER A 29 3.679 35.775 9.086 1.00 35.44 C ATOM 464 C SER A 29 3.543 34.558 8.188 1.00 35.82 C ATOM 465 O SER A 29 4.535 33.903 7.889 1.00 34.27 O ATOM 466 CB SER A 29 3.623 37.021 8.183 1.00 36.28 C ATOM 467 HA SER A 29 2.876 35.815 9.822 1.00 0.00 H ATOM 468 HB2 SER A 29 3.718 37.917 8.796 1.00 0.00 H ATOM 469 HB3 SER A 29 4.441 36.984 7.463 1.00 0.00 H ATOM 470 H SER A 29 5.673 36.455 9.676 1.00 0.00 H ATOM 471 N GLU A 30 2.316 34.278 7.743 1.00 35.83 N ATOM 472 CA GLU A 30 2.049 33.180 6.819 1.00 37.16 C ATOM 473 C GLU A 30 2.707 33.352 5.440 1.00 36.77 C ATOM 474 O GLU A 30 2.869 32.379 4.689 1.00 35.95 O ATOM 475 CB GLU A 30 0.547 33.026 6.607 1.00 37.61 C ATOM 476 CG GLU A 30 0.005 34.007 5.579 1.00 42.75 C ATOM 477 CD GLU A 30 -1.400 34.479 5.905 1.00 50.58 C ATOM 478 OE1 GLU A 30 -1.979 33.917 6.870 1.00 54.61 O ATOM 479 OE2 GLU A 30 -1.929 35.401 5.207 1.00 53.76 O ATOM 480 HA GLU A 30 2.483 32.296 7.286 1.00 0.00 H ATOM 481 HB2 GLU A 30 0.343 32.011 6.265 1.00 0.00 H ATOM 482 HB3 GLU A 30 0.039 33.197 7.556 1.00 0.00 H ATOM 483 HG2 GLU A 30 0.665 34.874 5.542 1.00 0.00 H ATOM 484 HG3 GLU A 30 -0.008 33.520 4.604 1.00 0.00 H ATOM 485 H GLU A 30 1.520 34.864 8.067 1.00 0.00 H ATOM 486 N GLU A 31 3.077 34.577 5.087 1.00 36.75 N ATOM 487 CA GLU A 31 3.769 34.794 3.829 1.00 37.33 C ATOM 488 C GLU A 31 5.228 34.253 3.879 1.00 36.10 C ATOM 489 O GLU A 31 5.857 34.098 2.852 1.00 35.87 O ATOM 490 CB GLU A 31 3.652 36.263 3.371 1.00 39.41 C ATOM 491 CG GLU A 31 2.155 36.851 3.319 1.00 45.86 C ATOM 492 CD GLU A 31 1.205 36.258 2.205 1.00 55.62 C ATOM 493 OE1 GLU A 31 1.698 35.881 1.106 1.00 61.03 O ATOM 494 OE2 GLU A 31 -0.057 36.182 2.411 1.00 58.52 O ATOM 495 HA GLU A 31 3.274 34.208 3.055 1.00 0.00 H ATOM 496 HB2 GLU A 31 4.232 36.878 4.060 1.00 0.00 H ATOM 497 HB3 GLU A 31 4.079 36.339 2.371 1.00 0.00 H ATOM 498 HG2 GLU A 31 1.690 36.661 4.287 1.00 0.00 H ATOM 499 HG3 GLU A 31 2.226 37.926 3.156 1.00 0.00 H ATOM 500 H GLU A 31 2.871 35.382 5.712 1.00 0.00 H ATOM 501 N HIS A 32 5.731 33.900 5.073 1.00 35.18 N ATOM 502 CA HIS A 32 7.012 33.203 5.202 1.00 33.81 C ATOM 503 C HIS A 32 6.937 31.679 5.301 1.00 32.00 C ATOM 504 O HIS A 32 7.965 31.060 5.559 1.00 31.18 O ATOM 505 CB HIS A 32 7.756 33.654 6.445 1.00 35.08 C ATOM 506 CG HIS A 32 8.118 35.097 6.451 1.00 39.56 C ATOM 507 ND1 HIS A 32 7.182 36.093 6.638 1.00 44.60 N ATOM 508 CD2 HIS A 32 9.314 35.714 6.317 1.00 42.59 C ATOM 509 CE1 HIS A 32 7.791 37.266 6.603 1.00 46.83 C ATOM 510 NE2 HIS A 32 9.083 37.065 6.408 1.00 46.15 N ATOM 511 HA HIS A 32 7.518 33.464 4.273 1.00 0.00 H ATOM 512 HB2 HIS A 32 7.125 33.456 7.312 1.00 0.00 H ATOM 513 HB3 HIS A 32 8.674 33.071 6.525 1.00 0.00 H ATOM 514 HD2 HIS A 32 10.279 35.230 6.165 1.00 0.00 H ATOM 515 HE1 HIS A 32 7.308 38.237 6.716 1.00 0.00 H ATOM 516 H HIS A 32 5.194 34.129 5.933 1.00 0.00 H ATOM 517 N ASN A 33 5.753 31.076 5.126 1.00 30.33 N ATOM 518 CA ASN A 33 5.622 29.599 5.102 1.00 28.68 C ATOM 519 C ASN A 33 6.515 28.971 4.040 1.00 29.41 C ATOM 520 O ASN A 33 6.660 29.539 2.947 1.00 29.42 O ATOM 521 CB ASN A 33 4.188 29.201 4.730 1.00 28.98 C ATOM 522 CG ASN A 33 3.189 29.606 5.740 1.00 28.32 C ATOM 523 OD1 ASN A 33 3.524 30.063 6.831 1.00 29.16 O ATOM 524 ND2 ASN A 33 1.926 29.442 5.392 1.00 31.03 N ATOM 525 HA ASN A 33 5.902 29.250 6.096 1.00 0.00 H ATOM 526 HB2 ASN A 33 3.933 29.673 3.781 1.00 0.00 H ATOM 527 HB3 ASN A 33 4.147 28.118 4.618 1.00 0.00 H ATOM 528 HD22 ASN A 33 1.691 29.051 4.457 1.00 0.00 H ATOM 529 HD21 ASN A 33 1.166 29.704 6.053 1.00 0.00 H ATOM 530 H ASN A 33 4.902 31.661 5.004 1.00 0.00 H ATOM 531 N THR A 34 7.079 27.785 4.291 1.00 28.12 N ATOM 532 CA THR A 34 7.855 27.124 3.251 1.00 27.35 C ATOM 533 C THR A 34 7.569 25.631 3.318 1.00 26.80 C ATOM 534 O THR A 34 7.243 25.114 4.400 1.00 26.30 O ATOM 535 CB THR A 34 9.393 27.358 3.423 1.00 28.28 C ATOM 536 OG1 THR A 34 9.785 26.914 4.709 1.00 29.53 O ATOM 537 CG2 THR A 34 9.785 28.812 3.302 1.00 30.12 C ATOM 538 HA THR A 34 7.564 27.543 2.288 1.00 0.00 H ATOM 539 HB THR A 34 9.888 26.804 2.626 1.00 0.00 H ATOM 540 HG1 THR A 34 10.757 27.059 4.825 1.00 0.00 H ATOM 541 HG23 THR A 34 9.496 29.184 2.319 1.00 0.00 H ATOM 542 HG21 THR A 34 9.277 29.389 4.075 1.00 0.00 H ATOM 543 HG22 THR A 34 10.864 28.908 3.425 1.00 0.00 H ATOM 544 H THR A 34 6.964 27.338 5.223 1.00 0.00 H ATOM 545 N TRP A 35 7.694 24.942 2.192 1.00 24.61 N ATOM 546 CA TRP A 35 7.678 23.475 2.147 1.00 24.03 C ATOM 547 C TRP A 35 9.058 22.998 2.580 1.00 23.81 C ATOM 548 O TRP A 35 10.028 23.594 2.168 1.00 23.36 O ATOM 549 CB TRP A 35 7.413 23.011 0.714 1.00 23.74 C ATOM 550 CG TRP A 35 5.960 23.243 0.262 1.00 25.32 C ATOM 551 CD1 TRP A 35 5.472 24.301 -0.432 1.00 25.56 C ATOM 552 CD2 TRP A 35 4.848 22.392 0.544 1.00 23.59 C ATOM 553 NE1 TRP A 35 4.106 24.141 -0.636 1.00 26.44 N ATOM 554 CE2 TRP A 35 3.713 22.978 -0.026 1.00 27.09 C ATOM 555 CE3 TRP A 35 4.714 21.170 1.211 1.00 25.21 C ATOM 556 CZ2 TRP A 35 2.451 22.393 0.063 1.00 26.86 C ATOM 557 CZ3 TRP A 35 3.461 20.602 1.311 1.00 25.82 C ATOM 558 CH2 TRP A 35 2.347 21.198 0.717 1.00 25.79 C ATOM 559 HA TRP A 35 6.900 23.075 2.797 1.00 0.00 H ATOM 560 HB2 TRP A 35 8.076 23.558 0.044 1.00 0.00 H ATOM 561 HB3 TRP A 35 7.631 21.945 0.649 1.00 0.00 H ATOM 562 HE1 TRP A 35 3.488 24.792 -1.161 1.00 0.00 H ATOM 563 HD1 TRP A 35 6.062 25.150 -0.778 1.00 0.00 H ATOM 564 HZ2 TRP A 35 1.576 22.873 -0.375 1.00 0.00 H ATOM 565 HH2 TRP A 35 1.378 20.702 0.776 1.00 0.00 H ATOM 566 HZ3 TRP A 35 3.338 19.671 1.864 1.00 0.00 H ATOM 567 HE3 TRP A 35 5.584 20.676 1.644 1.00 0.00 H ATOM 568 H TRP A 35 7.809 25.465 1.300 1.00 0.00 H ATOM 569 N GLU A 36 9.160 21.917 3.344 1.00 22.80 N ATOM 570 CA GLU A 36 10.470 21.433 3.762 1.00 22.78 C ATOM 571 C GLU A 36 10.410 19.931 3.699 1.00 23.84 C ATOM 572 O GLU A 36 9.371 19.315 4.031 1.00 24.61 O ATOM 573 CB GLU A 36 10.823 21.881 5.196 1.00 22.91 C ATOM 574 CG GLU A 36 10.999 23.411 5.423 1.00 24.49 C ATOM 575 CD GLU A 36 12.043 24.039 4.535 1.00 27.87 C ATOM 576 OE1 GLU A 36 12.925 23.314 4.031 1.00 29.65 O ATOM 577 OE2 GLU A 36 11.986 25.271 4.327 1.00 31.11 O ATOM 578 HA GLU A 36 11.241 21.842 3.109 1.00 0.00 H ATOM 579 HB2 GLU A 36 10.026 21.538 5.856 1.00 0.00 H ATOM 580 HB3 GLU A 36 11.758 21.395 5.474 1.00 0.00 H ATOM 581 HG2 GLU A 36 10.044 23.900 5.231 1.00 0.00 H ATOM 582 HG3 GLU A 36 11.287 23.574 6.462 1.00 0.00 H ATOM 583 H GLU A 36 8.302 21.413 3.646 1.00 0.00 H ATOM 584 N PRO A 37 11.495 19.291 3.243 1.00 23.79 N ATOM 585 CA PRO A 37 11.358 17.853 3.207 1.00 24.28 C ATOM 586 C PRO A 37 11.337 17.310 4.629 1.00 25.19 C ATOM 587 O PRO A 37 11.797 17.990 5.565 1.00 25.34 O ATOM 588 CB PRO A 37 12.631 17.415 2.477 1.00 24.16 C ATOM 589 CG PRO A 37 13.610 18.469 2.866 1.00 24.38 C ATOM 590 CD PRO A 37 12.818 19.731 2.783 1.00 23.88 C ATOM 591 HA PRO A 37 10.446 17.501 2.725 1.00 0.00 H ATOM 592 HD3 PRO A 37 13.229 20.501 3.436 1.00 0.00 H ATOM 593 HD2 PRO A 37 12.777 20.107 1.761 1.00 0.00 H ATOM 594 HG3 PRO A 37 14.453 18.492 2.175 1.00 0.00 H ATOM 595 HG2 PRO A 37 13.977 18.305 3.879 1.00 0.00 H ATOM 596 HB2 PRO A 37 12.958 16.431 2.813 1.00 0.00 H ATOM 597 HB3 PRO A 37 12.480 17.398 1.398 1.00 0.00 H ATOM 598 N GLU A 38 10.844 16.086 4.784 1.00 25.25 N ATOM 599 CA GLU A 38 10.717 15.455 6.065 1.00 25.58 C ATOM 600 C GLU A 38 12.056 15.387 6.798 1.00 25.92 C ATOM 601 O GLU A 38 12.067 15.511 8.014 1.00 26.83 O ATOM 602 CB GLU A 38 10.119 14.066 5.887 1.00 25.29 C ATOM 603 CG GLU A 38 9.973 13.350 7.160 1.00 30.51 C ATOM 604 CD GLU A 38 9.201 12.055 6.977 1.00 38.32 C ATOM 605 OE1 GLU A 38 8.087 12.090 6.411 1.00 39.71 O ATOM 606 OE2 GLU A 38 9.741 10.994 7.375 1.00 43.09 O ATOM 607 HA GLU A 38 10.051 16.057 6.683 1.00 0.00 H ATOM 608 HB2 GLU A 38 9.136 14.165 5.426 1.00 0.00 H ATOM 609 HB3 GLU A 38 10.769 13.486 5.232 1.00 0.00 H ATOM 610 HG2 GLU A 38 10.963 13.121 7.555 1.00 0.00 H ATOM 611 HG3 GLU A 38 9.439 13.986 7.866 1.00 0.00 H ATOM 612 H GLU A 38 10.537 15.563 3.939 1.00 0.00 H ATOM 613 N LYS A 39 13.172 15.212 6.086 1.00 26.09 N ATOM 614 CA LYS A 39 14.487 15.189 6.753 1.00 27.31 C ATOM 615 C LYS A 39 14.860 16.487 7.465 1.00 27.57 C ATOM 616 O LYS A 39 15.795 16.511 8.285 1.00 27.24 O ATOM 617 CB LYS A 39 15.609 14.847 5.768 1.00 27.67 C ATOM 618 CG LYS A 39 15.919 15.997 4.844 1.00 30.27 C ATOM 619 CD LYS A 39 16.866 15.616 3.762 1.00 36.12 C ATOM 620 CE LYS A 39 18.174 16.304 3.935 1.00 42.03 C ATOM 621 NZ LYS A 39 17.996 17.697 3.532 1.00 45.08 N ATOM 622 HA LYS A 39 14.384 14.414 7.512 1.00 0.00 H ATOM 623 HB2 LYS A 39 16.508 14.596 6.331 1.00 0.00 H ATOM 624 HB3 LYS A 39 15.304 13.988 5.171 1.00 0.00 H ATOM 625 HG2 LYS A 39 14.990 16.342 4.391 1.00 0.00 H ATOM 626 HG3 LYS A 39 16.360 16.806 5.427 1.00 0.00 H ATOM 627 HD2 LYS A 39 17.023 14.538 3.788 1.00 0.00 H ATOM 628 HD3 LYS A 39 16.440 15.896 2.799 1.00 0.00 H ATOM 629 HE2 LYS A 39 18.930 15.829 3.309 1.00 0.00 H ATOM 630 HE3 LYS A 39 18.485 16.255 4.979 1.00 0.00 H ATOM 631 HZ1 LYS A 39 17.695 17.733 2.537 1.00 0.00 H ATOM 632 HZ2 LYS A 39 17.270 18.140 4.131 1.00 0.00 H ATOM 633 HZ3 LYS A 39 18.896 18.206 3.642 1.00 0.00 H ATOM 634 H LYS A 39 13.113 15.091 5.055 1.00 0.00 H ATOM 635 N ASN A 40 14.179 17.581 7.141 1.00 25.43 N ATOM 636 CA ASN A 40 14.508 18.826 7.782 1.00 24.99 C ATOM 637 C ASN A 40 13.746 19.047 9.070 1.00 24.89 C ATOM 638 O ASN A 40 14.011 20.025 9.710 1.00 24.19 O ATOM 639 CB ASN A 40 14.166 19.990 6.907 1.00 24.73 C ATOM 640 CG ASN A 40 15.217 20.277 5.862 1.00 27.16 C ATOM 641 OD1 ASN A 40 15.140 21.295 5.189 1.00 33.40 O ATOM 642 ND2 ASN A 40 16.179 19.414 5.713 1.00 23.09 N ATOM 643 HA ASN A 40 15.578 18.761 7.981 1.00 0.00 H ATOM 644 HB2 ASN A 40 13.223 19.779 6.402 1.00 0.00 H ATOM 645 HB3 ASN A 40 14.051 20.874 7.535 1.00 0.00 H ATOM 646 HD22 ASN A 40 16.208 18.560 6.306 1.00 0.00 H ATOM 647 HD21 ASN A 40 16.919 19.578 5.001 1.00 0.00 H ATOM 648 H ASN A 40 13.418 17.538 6.433 1.00 0.00 H ATOM 649 N LEU A 41 12.759 18.208 9.354 1.00 25.71 N ATOM 650 CA LEU A 41 11.778 18.469 10.411 1.00 27.27 C ATOM 651 C LEU A 41 12.276 17.907 11.739 1.00 28.64 C ATOM 652 O LEU A 41 12.842 16.817 11.782 1.00 27.91 O ATOM 653 CB LEU A 41 10.405 17.911 10.057 1.00 26.42 C ATOM 654 CG LEU A 41 9.465 18.914 9.338 1.00 28.12 C ATOM 655 CD1 LEU A 41 9.977 19.376 8.012 1.00 24.51 C ATOM 656 CD2 LEU A 41 8.035 18.382 9.164 1.00 27.69 C ATOM 657 HA LEU A 41 11.666 19.549 10.509 1.00 0.00 H ATOM 658 HB2 LEU A 41 10.546 17.049 9.404 1.00 0.00 H ATOM 659 HB3 LEU A 41 9.920 17.591 10.979 1.00 0.00 H ATOM 660 HG LEU A 41 9.443 19.771 10.011 1.00 0.00 H ATOM 661 HD21 LEU A 41 8.058 17.468 8.571 1.00 0.00 H ATOM 662 HD22 LEU A 41 7.606 18.170 10.143 1.00 0.00 H ATOM 663 HD23 LEU A 41 7.429 19.132 8.655 1.00 0.00 H ATOM 664 HD11 LEU A 41 10.938 19.872 8.148 1.00 0.00 H ATOM 665 HD12 LEU A 41 10.100 18.517 7.352 1.00 0.00 H ATOM 666 HD13 LEU A 41 9.265 20.074 7.572 1.00 0.00 H ATOM 667 H LEU A 41 12.678 17.329 8.804 1.00 0.00 H ATOM 668 N ASP A 42 12.121 18.701 12.805 1.00 30.16 N ATOM 669 CA ASP A 42 12.355 18.211 14.182 1.00 32.15 C ATOM 670 C ASP A 42 11.165 18.589 15.067 1.00 31.38 C ATOM 671 O ASP A 42 11.296 19.243 16.114 1.00 31.50 O ATOM 672 CB ASP A 42 13.651 18.795 14.722 1.00 33.20 C ATOM 673 CG ASP A 42 14.052 18.170 16.035 1.00 39.62 C ATOM 674 OD1 ASP A 42 13.503 17.082 16.377 1.00 46.51 O ATOM 675 OD2 ASP A 42 14.899 18.797 16.742 1.00 49.92 O ATOM 676 HA ASP A 42 12.449 17.125 14.178 1.00 0.00 H ATOM 677 HB2 ASP A 42 14.444 18.624 13.994 1.00 0.00 H ATOM 678 HB3 ASP A 42 13.519 19.867 14.868 1.00 0.00 H ATOM 679 H ASP A 42 11.828 19.689 12.662 1.00 0.00 H ATOM 680 N CYS A 43 9.993 18.225 14.561 1.00 31.03 N ATOM 681 CA CYS A 43 8.747 18.603 15.154 1.00 30.99 C ATOM 682 C CYS A 43 7.764 17.442 15.030 1.00 30.93 C ATOM 683 O CYS A 43 6.735 17.570 14.379 1.00 32.16 O ATOM 684 CB CYS A 43 8.223 19.892 14.521 1.00 29.85 C ATOM 685 SG CYS A 43 8.123 19.894 12.688 1.00 31.09 S ATOM 686 HA CYS A 43 8.882 18.815 16.215 1.00 0.00 H ATOM 687 HB2 CYS A 43 8.883 20.706 14.822 1.00 0.00 H ATOM 688 HB3 CYS A 43 7.222 20.075 14.912 1.00 0.00 H ATOM 689 HG CYS A 43 7.276 18.886 12.274 1.00 0.00 H ATOM 690 H CYS A 43 9.980 17.642 13.700 1.00 0.00 H ATOM 691 N PRO A 44 8.079 16.302 15.645 1.00 30.51 N ATOM 692 CA PRO A 44 7.234 15.128 15.445 1.00 30.40 C ATOM 693 C PRO A 44 5.821 15.271 15.961 1.00 30.61 C ATOM 694 O PRO A 44 4.901 14.703 15.383 1.00 29.57 O ATOM 695 CB PRO A 44 7.959 14.020 16.205 1.00 31.19 C ATOM 696 CG PRO A 44 9.012 14.656 16.991 1.00 30.86 C ATOM 697 CD PRO A 44 9.270 16.012 16.463 1.00 31.44 C ATOM 698 HA PRO A 44 7.105 14.939 14.379 1.00 0.00 H ATOM 699 HD3 PRO A 44 9.369 16.733 17.275 1.00 0.00 H ATOM 700 HD2 PRO A 44 10.173 16.026 15.853 1.00 0.00 H ATOM 701 HG3 PRO A 44 9.923 14.061 16.927 1.00 0.00 H ATOM 702 HG2 PRO A 44 8.697 14.725 18.032 1.00 0.00 H ATOM 703 HB2 PRO A 44 7.263 13.500 16.863 1.00 0.00 H ATOM 704 HB3 PRO A 44 8.394 13.308 15.504 1.00 0.00 H ATOM 705 N GLU A 45 5.652 16.052 17.022 1.00 30.16 N ATOM 706 CA GLU A 45 4.335 16.237 17.621 1.00 30.60 C ATOM 707 C GLU A 45 3.464 17.129 16.775 1.00 30.30 C ATOM 708 O GLU A 45 2.255 16.913 16.759 1.00 30.74 O ATOM 709 CB GLU A 45 4.433 16.741 19.063 1.00 31.23 C ATOM 710 CG GLU A 45 4.885 15.607 20.056 1.00 32.23 C ATOM 711 CD GLU A 45 6.409 15.317 19.994 1.00 36.46 C ATOM 712 OE1 GLU A 45 7.191 16.265 19.712 1.00 36.55 O ATOM 713 OE2 GLU A 45 6.836 14.146 20.196 1.00 35.89 O ATOM 714 HA GLU A 45 3.856 15.259 17.658 1.00 0.00 H ATOM 715 HB2 GLU A 45 5.158 17.554 19.103 1.00 0.00 H ATOM 716 HB3 GLU A 45 3.456 17.112 19.373 1.00 0.00 H ATOM 717 HG2 GLU A 45 4.630 15.912 21.071 1.00 0.00 H ATOM 718 HG3 GLU A 45 4.347 14.692 19.807 1.00 0.00 H ATOM 719 H GLU A 45 6.473 16.540 17.433 1.00 0.00 H ATOM 720 N LEU A 46 4.053 18.089 16.048 1.00 28.74 N ATOM 721 CA LEU A 46 3.296 18.879 15.055 1.00 29.39 C ATOM 722 C LEU A 46 2.864 18.077 13.821 1.00 29.26 C ATOM 723 O LEU A 46 1.764 18.271 13.329 1.00 29.35 O ATOM 724 CB LEU A 46 4.033 20.147 14.634 1.00 28.42 C ATOM 725 CG LEU A 46 4.342 21.072 15.805 1.00 31.26 C ATOM 726 CD1 LEU A 46 5.078 22.275 15.269 1.00 28.56 C ATOM 727 CD2 LEU A 46 3.069 21.496 16.597 1.00 29.55 C ATOM 728 HA LEU A 46 2.384 19.169 15.577 1.00 0.00 H ATOM 729 HB2 LEU A 46 4.972 19.862 14.159 1.00 0.00 H ATOM 730 HB3 LEU A 46 3.414 20.687 13.918 1.00 0.00 H ATOM 731 HG LEU A 46 4.962 20.533 16.522 1.00 0.00 H ATOM 732 HD21 LEU A 46 2.386 22.022 15.930 1.00 0.00 H ATOM 733 HD22 LEU A 46 2.578 20.608 16.996 1.00 0.00 H ATOM 734 HD23 LEU A 46 3.355 22.154 17.418 1.00 0.00 H ATOM 735 HD11 LEU A 46 6.002 21.951 14.791 1.00 0.00 H ATOM 736 HD12 LEU A 46 4.451 22.788 14.539 1.00 0.00 H ATOM 737 HD13 LEU A 46 5.310 22.953 16.090 1.00 0.00 H ATOM 738 H LEU A 46 5.066 18.282 16.186 1.00 0.00 H ATOM 739 N ILE A 47 3.724 17.194 13.328 1.00 29.72 N ATOM 740 CA ILE A 47 3.338 16.260 12.277 1.00 30.66 C ATOM 741 C ILE A 47 2.178 15.388 12.774 1.00 31.81 C ATOM 742 O ILE A 47 1.177 15.237 12.071 1.00 31.79 O ATOM 743 CB ILE A 47 4.520 15.377 11.838 1.00 31.02 C ATOM 744 CG1 ILE A 47 5.684 16.238 11.305 1.00 29.67 C ATOM 745 CG2 ILE A 47 4.047 14.353 10.786 1.00 32.51 C ATOM 746 CD1 ILE A 47 6.952 15.429 10.955 1.00 29.57 C ATOM 747 HA ILE A 47 3.021 16.835 11.407 1.00 0.00 H ATOM 748 HB ILE A 47 4.894 14.831 12.704 1.00 0.00 H ATOM 749 HG12 ILE A 47 5.346 16.753 10.406 1.00 0.00 H ATOM 750 HG13 ILE A 47 5.945 16.973 12.067 1.00 0.00 H ATOM 751 HD11 ILE A 47 7.312 14.916 11.847 1.00 0.00 H ATOM 752 HD12 ILE A 47 6.713 14.696 10.184 1.00 0.00 H ATOM 753 HD13 ILE A 47 7.723 16.106 10.588 1.00 0.00 H ATOM 754 HG21 ILE A 47 3.268 13.724 11.217 1.00 0.00 H ATOM 755 HG22 ILE A 47 3.650 14.881 9.919 1.00 0.00 H ATOM 756 HG23 ILE A 47 4.889 13.732 10.481 1.00 0.00 H ATOM 757 H ILE A 47 4.695 17.168 13.700 1.00 0.00 H ATOM 758 N SER A 48 2.278 14.874 14.004 1.00 33.03 N ATOM 759 CA SER A 48 1.187 14.108 14.633 1.00 35.19 C ATOM 760 C SER A 48 -0.119 14.842 14.745 1.00 35.08 C ATOM 761 O SER A 48 -1.161 14.270 14.446 1.00 35.91 O ATOM 762 CB SER A 48 1.574 13.609 16.026 1.00 36.18 C ATOM 763 OG SER A 48 2.462 12.523 15.863 1.00 40.98 O ATOM 764 HA SER A 48 1.035 13.273 13.949 1.00 0.00 H ATOM 765 HB2 SER A 48 0.684 13.283 16.564 1.00 0.00 H ATOM 766 HB3 SER A 48 2.063 14.408 16.584 1.00 0.00 H ATOM 767 HG SER A 48 3.265 12.826 15.370 1.00 0.00 H ATOM 768 H SER A 48 3.159 15.020 14.537 1.00 0.00 H ATOM 769 N GLU A 49 -0.078 16.096 15.189 1.00 34.97 N ATOM 770 CA GLU A 49 -1.294 16.917 15.213 1.00 36.22 C ATOM 771 C GLU A 49 -1.870 17.033 13.798 1.00 36.66 C ATOM 772 O GLU A 49 -3.081 16.876 13.616 1.00 37.21 O ATOM 773 CB GLU A 49 -1.077 18.308 15.834 1.00 35.27 C ATOM 774 HA GLU A 49 -2.010 16.410 15.860 1.00 0.00 H ATOM 775 HB2 GLU A 49 -0.735 18.196 16.863 1.00 0.00 H ATOM 776 HB3 GLU A 49 -0.326 18.849 15.258 1.00 0.00 H ATOM 777 H GLU A 49 0.822 16.497 15.521 1.00 0.00 H ATOM 778 N PHE A 50 -1.007 17.281 12.811 1.00 36.67 N ATOM 779 CA PHE A 50 -1.449 17.354 11.416 1.00 38.14 C ATOM 780 C PHE A 50 -2.102 16.048 11.002 1.00 40.35 C ATOM 781 O PHE A 50 -3.187 16.079 10.468 1.00 41.51 O ATOM 782 CB PHE A 50 -0.304 17.712 10.438 1.00 36.00 C ATOM 783 CG PHE A 50 -0.688 17.612 8.983 1.00 33.19 C ATOM 784 CD1 PHE A 50 -1.437 18.595 8.390 1.00 32.06 C ATOM 785 CD2 PHE A 50 -0.294 16.531 8.225 1.00 31.81 C ATOM 786 CE1 PHE A 50 -1.800 18.500 7.052 1.00 31.93 C ATOM 787 CE2 PHE A 50 -0.675 16.412 6.913 1.00 34.06 C ATOM 788 CZ PHE A 50 -1.432 17.409 6.321 1.00 32.45 C ATOM 789 HA PHE A 50 -2.177 18.163 11.359 1.00 0.00 H ATOM 790 HB2 PHE A 50 0.013 18.735 10.640 1.00 0.00 H ATOM 791 HB3 PHE A 50 0.529 17.033 10.621 1.00 0.00 H ATOM 792 HD2 PHE A 50 0.330 15.759 8.675 1.00 0.00 H ATOM 793 HE2 PHE A 50 -0.382 15.534 6.337 1.00 0.00 H ATOM 794 HZ PHE A 50 -1.732 17.322 5.277 1.00 0.00 H ATOM 795 HE1 PHE A 50 -2.379 19.298 6.587 1.00 0.00 H ATOM 796 HD1 PHE A 50 -1.751 19.460 8.974 1.00 0.00 H ATOM 797 H PHE A 50 -0.002 17.425 13.036 1.00 0.00 H ATOM 798 N MET A 51 -1.458 14.919 11.255 1.00 43.83 N ATOM 799 CA MET A 51 -1.991 13.615 10.841 1.00 48.05 C ATOM 800 C MET A 51 -3.301 13.210 11.491 1.00 49.55 C ATOM 801 O MET A 51 -3.968 12.332 10.982 1.00 50.26 O ATOM 802 CB MET A 51 -0.986 12.488 11.044 1.00 49.15 C ATOM 803 CG MET A 51 0.372 12.726 10.424 1.00 54.27 C ATOM 804 SD MET A 51 0.574 12.024 8.791 1.00 67.17 S ATOM 805 CE MET A 51 -0.185 13.243 7.709 1.00 64.00 C ATOM 806 HA MET A 51 -2.191 13.764 9.780 1.00 0.00 H ATOM 807 HB2 MET A 51 -0.849 12.345 12.116 1.00 0.00 H ATOM 808 HB3 MET A 51 -1.403 11.580 10.608 1.00 0.00 H ATOM 809 HG2 MET A 51 1.127 12.290 11.078 1.00 0.00 H ATOM 810 HG3 MET A 51 0.531 13.802 10.355 1.00 0.00 H ATOM 811 HE1 MET A 51 -1.234 13.365 7.981 1.00 0.00 H ATOM 812 HE2 MET A 51 0.333 14.196 7.817 1.00 0.00 H ATOM 813 HE3 MET A 51 -0.113 12.904 6.675 1.00 0.00 H ATOM 814 H MET A 51 -0.550 14.957 11.761 1.00 0.00 H ATOM 815 N LYS A 52 -3.675 13.816 12.606 1.00 51.73 N ATOM 816 CA LYS A 52 -5.085 13.827 12.949 1.00 54.04 C ATOM 817 C LYS A 52 -5.670 14.844 11.974 1.00 55.01 C ATOM 818 O LYS A 52 -6.872 14.880 11.723 1.00 57.22 O ATOM 819 CB LYS A 52 -5.319 14.300 14.380 1.00 54.52 C ATOM 820 CG LYS A 52 -4.387 13.713 15.418 1.00 56.42 C ATOM 821 CD LYS A 52 -4.718 14.321 16.793 1.00 60.81 C ATOM 822 CE LYS A 52 -3.522 14.308 17.754 1.00 62.76 C ATOM 823 NZ LYS A 52 -2.929 12.942 17.932 1.00 63.99 N ATOM 824 HA LYS A 52 -5.530 12.834 12.885 1.00 0.00 H ATOM 825 HB2 LYS A 52 -5.205 15.384 14.399 1.00 0.00 H ATOM 826 HB3 LYS A 52 -6.340 14.039 14.658 1.00 0.00 H ATOM 827 HG2 LYS A 52 -4.517 12.631 15.456 1.00 0.00 H ATOM 828 HG3 LYS A 52 -3.355 13.945 15.155 1.00 0.00 H ATOM 829 HD2 LYS A 52 -5.038 15.353 16.650 1.00 0.00 H ATOM 830 HD3 LYS A 52 -5.531 13.749 17.240 1.00 0.00 H ATOM 831 HE2 LYS A 52 -3.853 14.673 18.726 1.00 0.00 H ATOM 832 HE3 LYS A 52 -2.753 14.973 17.361 1.00 0.00 H ATOM 833 HZ1 LYS A 52 -3.651 12.299 18.316 1.00 0.00 H ATOM 834 HZ2 LYS A 52 -2.600 12.586 17.012 1.00 0.00 H ATOM 835 HZ3 LYS A 52 -2.126 12.997 18.591 1.00 0.00 H ATOM 836 H LYS A 52 -2.974 14.274 13.223 1.00 0.00 H TER 837 LYS A 52 HETATM 838 O HOH 1 8.442 26.856 -0.200 1.00 26.61 O HETATM 839 O HOH 2 5.652 31.137 8.467 1.00 28.05 O HETATM 840 O HOH 3 13.182 14.008 3.479 1.00 29.10 O HETATM 841 O HOH 4 7.180 10.878 -5.871 1.00 38.20 O HETATM 842 O HOH 5 0.710 20.848 13.343 1.00 26.18 O HETATM 843 O HOH 6 10.356 30.706 14.300 1.00 34.29 O HETATM 844 O HOH 7 14.151 19.608 -7.101 1.00 27.60 O HETATM 845 O HOH 8 -4.056 21.758 7.911 1.00 41.75 O HETATM 846 O HOH 9 1.409 29.468 2.385 1.00 36.21 O HETATM 847 O HOH 10 12.722 30.617 15.648 1.00 31.63 O HETATM 848 O HOH 11 -2.654 28.442 12.015 1.00 54.28 O HETATM 849 O HOH 12 9.969 15.333 12.796 1.00 35.78 O HETATM 850 O HOH 13 8.417 40.685 6.669 1.00 52.77 O HETATM 851 O HOH 14 0.968 14.665 -2.856 1.00 42.52 O HETATM 852 O HOH 15 -7.284 12.925 9.359 1.00 55.70 O HETATM 853 O HOH 16 15.932 15.923 -0.019 1.00 37.90 O HETATM 854 O HOH 17 16.896 19.290 11.805 1.00 43.53 O HETATM 855 O HOH 18 18.865 22.412 7.334 1.00 58.84 O HETATM 856 O HOH 19 18.375 18.341 14.186 1.00 40.16 O HETATM 857 O HOH 20 16.243 17.326 13.092 1.00 54.03 O HETATM 858 O HOH 21 0.252 13.496 1.114 1.00 56.97 O HETATM 859 O HOH 22 -4.224 26.402 11.079 1.00 51.67 O HETATM 860 O HOH 23 6.131 25.378 18.694 1.00 43.74 O HETATM 861 O HOH 24 5.092 12.634 21.765 1.00 43.10 O HETATM 862 O HOH 25 17.962 30.899 14.709 1.00 55.36 O HETATM 863 O HOH 26 7.236 23.294 -5.981 1.00 55.16 O HETATM 864 O HOH 27 2.316 25.545 -2.677 1.00 53.36 O HETATM 865 O HOH 28 2.362 21.670 -3.939 1.00 42.47 O HETATM 866 O HOH 29 0.234 19.589 -3.288 1.00 62.80 O HETATM 867 O HOH 30 8.142 8.289 -1.062 1.00 54.25 O HETATM 868 O HOH 31 -10.129 11.836 12.199 1.00 59.49 O HETATM 869 O HOH 32 7.397 7.183 2.729 1.00 72.92 O HETATM 870 O HOH 33 8.000 20.708 22.178 1.00 39.05 O HETATM 871 O HOH 34 8.190 24.463 20.380 1.00 46.82 O HETATM 872 N ALA A 35 16.942 21.650 28.543 1.00 0.24 N HETATM 873 CA ALA A 35 16.496 20.247 28.310 1.00 0.06 C HETATM 874 C ALA A 35 15.028 20.146 27.958 1.00 0.23 C HETATM 875 O ALA A 35 14.572 19.085 27.550 1.00 -0.39 O HETATM 876 N ALA A 35 14.299 21.237 28.141 1.00 -0.26 N HETATM 877 CA ALA A 35 12.938 21.355 27.617 1.00 0.13 C HETATM 878 C ALA A 35 12.981 21.226 26.066 1.00 0.20 C HETATM 879 O ALA A 35 13.906 21.736 25.446 1.00 -0.39 O HETATM 880 N ALA A 35 12.005 20.573 25.439 1.00 -0.26 N HETATM 881 CA ALA A 35 12.059 20.350 23.986 1.00 0.16 C HETATM 882 C ALA A 35 11.441 21.550 23.288 1.00 0.21 C HETATM 883 O ALA A 35 10.697 22.289 23.895 1.00 -0.39 O HETATM 884 N ALA A 35 11.751 21.742 22.009 1.00 -0.26 N HETATM 885 CA ALA A 35 11.075 22.719 21.163 1.00 0.13 C HETATM 886 C ALA A 35 10.775 22.052 19.817 1.00 0.20 C HETATM 887 O ALA A 35 11.495 21.136 19.377 1.00 -0.39 O HETATM 888 N ALA A 35 9.692 22.470 19.175 1.00 -0.26 N HETATM 889 CA ALA A 35 9.337 21.927 17.864 1.00 0.13 C HETATM 890 C ALA A 35 10.103 22.788 16.841 1.00 0.20 C HETATM 891 O ALA A 35 9.802 23.963 16.722 1.00 -0.39 O HETATM 892 N ALA A 35 11.095 22.215 16.130 1.00 -0.26 N HETATM 893 CA ALA A 35 11.883 23.010 15.166 1.00 0.16 C HETATM 894 C ALA A 35 12.028 22.334 13.800 1.00 0.21 C HETATM 895 O ALA A 35 11.717 21.163 13.626 1.00 -0.39 O HETATM 896 N ALA A 35 12.547 23.088 12.840 1.00 -0.26 N HETATM 897 CA ALA A 35 12.888 22.527 11.528 1.00 0.13 C HETATM 898 C ALA A 35 13.981 23.391 10.914 1.00 0.20 C HETATM 899 O ALA A 35 14.052 24.573 11.221 1.00 -0.39 O HETATM 900 N ALA A 35 14.812 22.807 10.047 1.00 -0.26 N HETATM 901 CA ALA A 35 15.764 23.575 9.221 1.00 0.13 C HETATM 902 C ALA A 35 15.030 24.075 7.992 1.00 0.20 C HETATM 903 O ALA A 35 14.264 23.337 7.377 1.00 -0.39 O HETATM 904 N ALA A 35 15.255 25.317 7.624 1.00 -0.26 N HETATM 905 CA ALA A 35 14.616 25.867 6.470 1.00 0.13 C HETATM 906 CB ALA A 35 14.452 27.276 6.923 1.00 -0.01 C HETATM 907 CG ALA A 35 13.632 28.176 6.054 1.00 -0.04 C HETATM 908 CD ALA A 35 12.926 28.990 7.137 1.00 -0.01 C HETATM 909 CE ALA A 35 12.654 30.344 6.555 1.00 -0.03 C HETATM 910 NZ ALA A 35 12.112 31.336 7.485 1.00 0.24 N HETATM 911 CM1 ALA A 35 10.981 31.930 6.786 1.00 -0.04 C HETATM 912 H ALA A 35 11.329 32.392 5.862 1.00 0.08 H HETATM 913 H ALA A 35 10.251 31.154 6.554 1.00 0.08 H HETATM 914 H ALA A 35 10.520 32.687 7.421 1.00 0.08 H HETATM 915 CM2 ALA A 35 13.140 32.336 7.710 1.00 -0.04 C HETATM 916 H ALA A 35 14.023 31.858 8.135 1.00 0.08 H HETATM 917 H ALA A 35 13.401 32.806 6.762 1.00 0.08 H HETATM 918 H ALA A 35 12.765 33.091 8.401 1.00 0.08 H HETATM 919 CM3 ALA A 35 11.665 30.860 8.785 1.00 -0.04 C HETATM 920 H ALA A 35 10.871 30.126 8.648 1.00 0.08 H HETATM 921 H ALA A 35 12.502 30.398 9.309 1.00 0.08 H HETATM 922 H ALA A 35 11.289 31.700 9.368 1.00 0.08 H HETATM 923 H ALA A 35 11.900 30.202 5.781 1.00 0.08 H HETATM 924 H ALA A 35 13.614 30.732 6.214 1.00 0.08 H HETATM 925 H ALA A 35 13.548 29.070 8.028 1.00 0.03 H HETATM 926 H ALA A 35 11.998 28.506 7.442 1.00 0.03 H HETATM 927 H ALA A 35 12.965 27.660 5.363 1.00 0.03 H HETATM 928 H ALA A 35 14.205 28.767 5.339 1.00 0.03 H HETATM 929 H ALA A 35 15.454 27.704 6.934 1.00 0.03 H HETATM 930 H ALA A 35 13.927 27.223 7.877 1.00 0.03 H HETATM 931 C ALA A 35 15.575 25.804 5.310 1.00 0.20 C HETATM 932 O ALA A 35 16.695 26.230 5.452 1.00 -0.39 O HETATM 933 N ALA A 35 15.154 25.271 4.170 1.00 -0.27 N HETATM 934 CA ALA A 35 16.068 24.999 3.040 1.00 0.12 C HETATM 935 C ALA A 35 16.812 26.253 2.548 1.00 0.06 C HETATM 936 O ALA A 35 16.207 27.346 2.484 1.00 -0.57 O HETATM 937 O1 ALA A 35 18.024 26.179 2.212 1.00 -0.57 O HETATM 938 CB ALA A 35 15.282 24.406 1.872 1.00 0.08 C HETATM 939 OG ALA A 35 14.925 23.061 2.125 1.00 -0.39 O HETATM 940 H ALA A 35 14.380 23.019 2.914 1.00 0.21 H HETATM 941 H ALA A 35 15.908 24.438 0.980 1.00 0.06 H HETATM 942 H ALA A 35 14.370 24.988 1.736 1.00 0.06 H HETATM 943 H ALA A 35 16.815 24.296 3.408 1.00 0.07 H HETATM 944 H ALA A 35 14.165 25.041 4.070 1.00 0.19 H HETATM 945 H ALA A 35 13.697 25.377 6.148 1.00 0.08 H HETATM 946 H ALA A 35 15.894 25.896 8.169 1.00 0.19 H HETATM 947 CB ALA A 35 16.914 22.685 8.729 1.00 -0.02 C HETATM 948 H ALA A 35 17.448 22.276 9.587 1.00 0.03 H HETATM 949 H ALA A 35 16.510 21.870 8.129 1.00 0.03 H HETATM 950 H ALA A 35 17.598 23.279 8.123 1.00 0.03 H HETATM 951 H ALA A 35 16.166 24.389 9.825 1.00 0.08 H HETATM 952 H ALA A 35 14.788 21.792 9.952 1.00 0.19 H HETATM 953 CB ALA A 35 11.648 22.544 10.621 1.00 -0.02 C HETATM 954 H ALA A 35 10.858 21.947 11.076 1.00 0.03 H HETATM 955 H ALA A 35 11.304 23.571 10.498 1.00 0.03 H HETATM 956 H ALA A 35 11.906 22.127 9.648 1.00 0.03 H HETATM 957 H ALA A 35 13.232 21.498 11.634 1.00 0.08 H HETATM 958 H ALA A 35 12.713 24.079 13.018 1.00 0.19 H HETATM 959 CB ALA A 35 13.320 23.288 15.676 1.00 0.09 C HETATM 960 OG1 ALA A 35 13.949 22.030 15.882 1.00 -0.39 O HETATM 961 H ALA A 35 14.844 22.169 16.199 1.00 0.21 H HETATM 962 CG2 ALA A 35 13.304 24.039 17.010 1.00 -0.03 C HETATM 963 H ALA A 35 12.791 24.992 16.883 1.00 0.03 H HETATM 964 H ALA A 35 12.781 23.441 17.756 1.00 0.03 H HETATM 965 H ALA A 35 14.328 24.217 17.338 1.00 0.03 H HETATM 966 H ALA A 35 13.848 23.899 14.944 1.00 0.06 H HETATM 967 H ALA A 35 11.318 23.936 15.063 1.00 0.08 H HETATM 968 H ALA A 35 11.303 21.225 16.259 1.00 0.19 H HETATM 969 CB ALA A 35 7.828 22.004 17.645 1.00 0.00 C HETATM 970 CG ALA A 35 7.005 21.255 18.687 1.00 0.04 C HETATM 971 CD ALA A 35 7.238 19.760 18.630 1.00 0.17 C HETATM 972 OE1 ALA A 35 7.754 19.133 19.589 1.00 -0.40 O HETATM 973 NE2 ALA A 35 6.893 19.170 17.500 1.00 -0.30 N HETATM 974 H ALA A 35 7.043 18.168 17.381 1.00 0.18 H HETATM 975 H ALA A 35 6.477 19.716 16.746 1.00 0.18 H HETATM 976 H ALA A 35 5.950 21.442 18.486 1.00 0.05 H HETATM 977 H ALA A 35 7.304 21.608 19.674 1.00 0.05 H HETATM 978 H ALA A 35 7.620 21.543 16.679 1.00 0.03 H HETATM 979 H ALA A 35 7.547 23.055 17.709 1.00 0.03 H HETATM 980 H ALA A 35 9.604 20.875 17.768 1.00 0.08 H HETATM 981 H ALA A 35 9.098 23.181 19.602 1.00 0.19 H HETATM 982 CB ALA A 35 11.944 23.962 20.958 1.00 -0.02 C HETATM 983 H ALA A 35 12.153 24.421 21.924 1.00 0.03 H HETATM 984 H ALA A 35 12.881 23.674 20.481 1.00 0.03 H HETATM 985 H ALA A 35 11.415 24.673 20.324 1.00 0.03 H HETATM 986 H ALA A 35 10.151 23.043 21.642 1.00 0.08 H HETATM 987 H ALA A 35 12.497 21.179 21.600 1.00 0.19 H HETATM 988 CB ALA A 35 11.230 19.153 23.595 1.00 0.09 C HETATM 989 OG1 ALA A 35 9.915 19.343 24.119 1.00 -0.39 O HETATM 990 H ALA A 35 9.538 20.145 23.750 1.00 0.21 H HETATM 991 CG2 ALA A 35 11.795 17.856 24.197 1.00 -0.03 C HETATM 992 H ALA A 35 12.813 17.704 23.838 1.00 0.03 H HETATM 993 H ALA A 35 11.799 17.933 25.284 1.00 0.03 H HETATM 994 H ALA A 35 11.172 17.015 23.894 1.00 0.03 H HETATM 995 H ALA A 35 11.234 19.064 22.509 1.00 0.06 H HETATM 996 H ALA A 35 13.101 20.195 23.704 1.00 0.08 H HETATM 997 H ALA A 35 11.210 20.223 25.973 1.00 0.19 H HETATM 998 CB ALA A 35 12.453 22.730 28.034 1.00 -0.01 C HETATM 999 CG ALA A 35 11.281 23.324 27.309 1.00 -0.02 C HETATM 1000 CD ALA A 35 10.892 24.689 27.974 1.00 0.06 C HETATM 1001 NE ALA A 35 11.987 25.639 27.999 1.00 -0.27 N HETATM 1002 CZ ALA A 35 12.465 26.312 29.043 1.00 0.29 C HETATM 1003 NH1 ALA A 35 11.984 26.181 30.248 1.00 -0.28 N HETATM 1004 H ALA A 35 11.209 25.541 30.421 1.00 0.26 H HETATM 1005 H ALA A 35 12.383 26.718 31.018 1.00 0.26 H HETATM 1006 NH2 ALA A 35 13.477 27.141 28.858 1.00 -0.28 N HETATM 1007 H ALA A 35 13.878 27.256 27.927 1.00 0.26 H HETATM 1008 H ALA A 35 13.857 27.666 29.646 1.00 0.26 H HETATM 1009 H ALA A 35 12.448 25.813 27.106 1.00 0.26 H HETATM 1010 H ALA A 35 10.605 24.486 29.006 1.00 0.07 H HETATM 1011 H ALA A 35 10.085 25.127 27.386 1.00 0.07 H HETATM 1012 H ALA A 35 10.435 22.639 27.364 1.00 0.03 H HETATM 1013 H ALA A 35 11.546 23.491 26.265 1.00 0.03 H HETATM 1014 H ALA A 35 13.287 23.401 27.828 1.00 0.03 H HETATM 1015 H ALA A 35 12.122 22.615 29.066 1.00 0.03 H HETATM 1016 H ALA A 35 12.272 20.579 27.996 1.00 0.08 H HETATM 1017 H ALA A 35 14.698 22.017 28.662 1.00 0.19 H HETATM 1018 CB ALA A 35 16.836 19.368 29.457 1.00 -0.00 C HETATM 1019 H ALA A 35 16.249 19.664 30.326 1.00 0.03 H HETATM 1020 H ALA A 35 16.610 18.333 29.199 1.00 0.03 H HETATM 1021 H ALA A 35 17.898 19.464 29.684 1.00 0.03 H HETATM 1022 H ALA A 35 17.049 19.894 27.439 1.00 0.11 H HETATM 1023 H ALA A 35 16.692 22.223 27.737 1.00 0.20 H HETATM 1024 H ALA A 35 16.484 22.017 29.377 1.00 0.20 H HETATM 1025 H ALA A 35 17.953 21.667 28.674 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 872 873 1023 1024 1025 CONECT 873 872 874 1018 1022 CONECT 874 873 875 876 CONECT 875 874 CONECT 876 874 877 1017 CONECT 877 876 878 998 1016 CONECT 878 877 879 880 CONECT 879 878 CONECT 880 878 881 997 CONECT 881 880 882 988 996 CONECT 882 881 883 884 CONECT 883 882 CONECT 884 882 885 987 CONECT 885 884 886 982 986 CONECT 886 885 887 888 CONECT 887 886 CONECT 888 886 889 981 CONECT 889 888 890 969 980 CONECT 890 889 891 892 CONECT 891 890 CONECT 892 890 893 968 CONECT 893 892 894 959 967 CONECT 894 893 895 896 CONECT 895 894 CONECT 896 894 897 958 CONECT 897 896 898 953 957 CONECT 898 897 899 900 CONECT 899 898 CONECT 900 898 901 952 CONECT 901 900 902 947 951 CONECT 902 901 903 904 CONECT 903 902 CONECT 904 902 905 946 CONECT 905 904 906 931 945 CONECT 906 905 907 929 930 CONECT 907 906 908 927 928 CONECT 908 907 909 925 926 CONECT 909 908 910 923 924 CONECT 910 909 911 915 919 CONECT 911 910 912 913 914 CONECT 912 911 CONECT 913 911 CONECT 914 911 CONECT 915 910 916 917 918 CONECT 916 915 CONECT 917 915 CONECT 918 915 CONECT 919 910 920 921 922 CONECT 920 919 CONECT 921 919 CONECT 922 919 CONECT 923 909 CONECT 924 909 CONECT 925 908 CONECT 926 908 CONECT 927 907 CONECT 928 907 CONECT 929 906 CONECT 930 906 CONECT 931 905 932 933 CONECT 932 931 CONECT 933 931 934 944 CONECT 934 933 935 938 943 CONECT 935 934 936 937 CONECT 936 935 CONECT 937 935 CONECT 938 934 939 941 942 CONECT 939 938 940 CONECT 940 939 CONECT 941 938 CONECT 942 938 CONECT 943 934 CONECT 944 933 CONECT 945 905 CONECT 946 904 CONECT 947 901 948 949 950 CONECT 948 947 CONECT 949 947 CONECT 950 947 CONECT 951 901 CONECT 952 900 CONECT 953 897 954 955 956 CONECT 954 953 CONECT 955 953 CONECT 956 953 CONECT 957 897 CONECT 958 896 CONECT 959 893 960 962 966 CONECT 960 959 961 CONECT 961 960 CONECT 962 959 963 964 965 CONECT 963 962 CONECT 964 962 CONECT 965 962 CONECT 966 959 CONECT 967 893 CONECT 968 892 CONECT 969 889 970 978 979 CONECT 970 969 971 976 977 CONECT 971 970 972 973 CONECT 972 971 CONECT 973 971 974 975 CONECT 974 973 CONECT 975 973 CONECT 976 970 CONECT 977 970 CONECT 978 969 CONECT 979 969 CONECT 980 889 CONECT 981 888 CONECT 982 885 983 984 985 CONECT 983 982 CONECT 984 982 CONECT 985 982 CONECT 986 885 CONECT 987 884 CONECT 988 881 989 991 995 CONECT 989 988 990 CONECT 990 989 CONECT 991 988 992 993 994 CONECT 992 991 CONECT 993 991 CONECT 994 991 CONECT 995 988 CONECT 996 881 CONECT 997 880 CONECT 998 877 999 1014 1015 CONECT 999 998 1000 1012 1013 CONECT 1000 999 1001 1010 1011 CONECT 1001 1000 1002 1009 CONECT 1002 1001 1003 1006 CONECT 1003 1002 1004 1005 CONECT 1004 1003 CONECT 1005 1003 CONECT 1006 1002 1007 1008 CONECT 1007 1006 CONECT 1008 1006 CONECT 1009 1001 CONECT 1010 1000 CONECT 1011 1000 CONECT 1012 999 CONECT 1013 999 CONECT 1014 998 CONECT 1015 998 CONECT 1016 877 CONECT 1017 876 CONECT 1018 873 1019 1020 1021 CONECT 1019 1018 CONECT 1020 1018 CONECT 1021 1018 CONECT 1022 873 CONECT 1023 872 CONECT 1024 872 CONECT 1025 872 MASTER 0 0 0 0 0 0 0 0 1024 1 158 4 END
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2rvn
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PDBbind
83aa, >2RVN_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
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RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
3fdt
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Chromobox protein homolog 5
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=30uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Biol.Chem. Vol. 286: pp. 521-529
Ligand Properties
Formula
C
4
3
H
8
2
N
1
5
O
1
5
Molecular Weight
1049.200
Exact Mass
1048.610
No. of atoms
155
No. of bonds
154
Polar Surface Area
496.63
LOGP Value
-6.18 (
Computed with XLOGP3
)
-5.23 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 45
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)C)CCC(=O)N)C)C)CCCC[N+](C)(C)C
InChI String
InChI=1S/C43H79N15O15/c1-20(44)33(63)52-27(14-12-17-48-43(46)47)38(68)56-31(24(5)60)41(71)51-23(4)36(66)54-28(15-16-30(45)62)39(69)57-32(25(6)61)40(70)50-21(2)34(64)49-22(3)35(65)53-26(13-10-11-18-58(7,8)9)37(67)55-29(19-59)42(72)73/h20-29,31-32,59-61H,10-19,44H2,1-9H3,(H15-,45,46,47,48,49,50,51,52,53,54,55,56,57,62,63,64,65,66,67,68,69,70,71,72,73)/p+3/t20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,31-,32-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P45973
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
23468
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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