Browse entries in the PDBbind-CN Database
HEADER 5WXG_COMPLEX COMPND 5WXG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 63 SER MET TYR VAL ILE ARG ASP GLU TRP GLY ASN GLN ILE SEQRES 2 A 63 TRP ILE CYS PRO GLY CYS ASN LYS PRO ASP ASP GLY SER SEQRES 3 A 63 PRO MET ILE GLY CYS ASP ASP CYS ASP ASP TRP TYR HIS SEQRES 4 A 63 TRP PRO CYS VAL GLY ILE MET THR ALA PRO PRO GLU GLU SEQRES 5 A 63 MET GLN TRP PHE CYS PRO LYS CYS ALA ASN LYS HET ZN A 1 1 HET ZN A 2 1 HET MG A 3 1 HET ALA A 135 118 ATOM 1 N SER A 855 6.383 8.124 -0.637 1.00 27.06 N ATOM 2 CA SER A 855 5.805 6.842 -1.067 1.00 36.07 C ATOM 3 C SER A 855 4.435 6.549 -0.417 1.00 33.51 C ATOM 4 O SER A 855 3.475 6.228 -1.121 1.00 36.26 O ATOM 5 CB SER A 855 6.771 5.695 -0.782 1.00 40.94 C ATOM 6 OG SER A 855 6.459 4.573 -1.595 1.00 48.70 O ATOM 7 HG SER A 855 7.093 3.838 -1.399 1.00 0.00 H ATOM 8 HN3 SER A 855 6.518 8.114 0.394 1.00 0.00 H ATOM 9 HN2 SER A 855 5.738 8.898 -0.896 1.00 0.00 H ATOM 10 HN1 SER A 855 7.300 8.264 -1.106 1.00 0.00 H ATOM 11 N MET A 856 4.347 6.624 0.915 1.00 32.38 N ATOM 12 CA MET A 856 3.054 6.841 1.560 1.00 31.52 C ATOM 13 C MET A 856 2.608 8.289 1.404 1.00 25.12 C ATOM 14 O MET A 856 1.441 8.625 1.650 1.00 27.67 O ATOM 15 CB MET A 856 3.135 6.470 3.045 1.00 37.40 C ATOM 16 CG MET A 856 1.812 6.541 3.791 1.00 41.02 C ATOM 17 SD MET A 856 1.359 4.963 4.530 1.00 62.09 S ATOM 18 CE MET A 856 1.700 3.837 3.173 1.00 44.43 C ATOM 19 H MET A 856 5.204 6.527 1.496 1.00 0.00 H ATOM 20 N TYR A 857 3.538 9.137 0.999 1.00 22.95 N ATOM 21 CA TYR A 857 3.309 10.537 0.688 1.00 21.06 C ATOM 22 C TYR A 857 2.945 10.686 -0.791 1.00 18.75 C ATOM 23 O TYR A 857 3.637 11.352 -1.563 1.00 18.88 O ATOM 24 CB TYR A 857 4.566 11.329 1.018 1.00 20.48 C ATOM 25 CG TYR A 857 4.913 11.438 2.483 1.00 19.16 C ATOM 26 CD1 TYR A 857 5.670 10.454 3.121 1.00 22.88 C ATOM 27 CD2 TYR A 857 4.547 12.563 3.208 1.00 19.55 C ATOM 28 CE1 TYR A 857 6.015 10.581 4.469 1.00 23.23 C ATOM 29 CE2 TYR A 857 4.871 12.697 4.539 1.00 20.75 C ATOM 30 CZ TYR A 857 5.617 11.711 5.163 1.00 25.45 C ATOM 31 OH TYR A 857 5.939 11.865 6.496 1.00 23.71 O ATOM 32 HH TYR A 857 6.470 12.693 6.613 1.00 0.00 H ATOM 33 H TYR A 857 4.507 8.774 0.895 1.00 0.00 H ATOM 34 N VAL A 858 1.882 9.987 -1.192 1.00 20.19 N ATOM 35 CA VAL A 858 1.410 9.998 -2.576 1.00 18.24 C ATOM 36 C VAL A 858 -0.109 10.065 -2.575 1.00 20.62 C ATOM 37 O VAL A 858 -0.770 9.380 -1.785 1.00 21.68 O ATOM 38 CB VAL A 858 1.883 8.757 -3.362 1.00 17.70 C ATOM 39 CG1 VAL A 858 1.364 8.801 -4.793 1.00 20.06 C ATOM 40 CG2 VAL A 858 3.408 8.676 -3.399 1.00 20.33 C ATOM 41 H VAL A 858 1.369 9.412 -0.493 1.00 0.00 H ATOM 42 N ILE A 859 -0.663 10.888 -3.470 1.00 15.79 N ATOM 43 CA ILE A 859 -2.102 10.996 -3.676 1.00 14.94 C ATOM 44 C ILE A 859 -2.354 10.876 -5.170 1.00 15.50 C ATOM 45 O ILE A 859 -1.432 10.941 -5.973 1.00 15.34 O ATOM 46 CB ILE A 859 -2.683 12.315 -3.136 1.00 14.81 C ATOM 47 CG1 ILE A 859 -2.102 13.510 -3.891 1.00 16.36 C ATOM 48 CG2 ILE A 859 -2.399 12.444 -1.629 1.00 15.90 C ATOM 49 CD1 ILE A 859 -2.674 14.826 -3.484 1.00 18.35 C ATOM 50 H ILE A 859 -0.036 11.482 -4.049 1.00 0.00 H ATOM 51 N ARG A 860 -3.624 10.704 -5.544 1.00 14.19 N ATOM 52 CA ARG A 860 -3.968 10.497 -6.947 1.00 15.50 C ATOM 53 C ARG A 860 -4.919 11.583 -7.436 1.00 16.97 C ATOM 54 O ARG A 860 -5.645 12.190 -6.641 1.00 15.90 O ATOM 55 CB ARG A 860 -4.585 9.110 -7.163 1.00 21.00 C ATOM 56 CG ARG A 860 -3.545 7.989 -7.123 1.00 24.56 C ATOM 57 CD ARG A 860 -4.153 6.627 -7.441 1.00 33.97 C ATOM 58 NE ARG A 860 -3.193 5.547 -7.218 1.00 37.90 N ATOM 59 CZ ARG A 860 -2.549 4.888 -8.178 1.00 36.02 C ATOM 60 NH1 ARG A 860 -2.759 5.182 -9.455 1.00 37.61 N ATOM 61 NH2 ARG A 860 -1.697 3.920 -7.857 1.00 38.09 N ATOM 62 HE ARG A 860 -2.999 5.273 -6.234 1.00 0.00 H ATOM 63 HH12 ARG A 860 -2.251 4.662 -10.199 1.00 0.00 H ATOM 64 HH11 ARG A 860 -3.431 5.933 -9.712 1.00 0.00 H ATOM 65 HH22 ARG A 860 -1.192 3.403 -8.605 1.00 0.00 H ATOM 66 HH21 ARG A 860 -1.535 3.680 -6.858 1.00 0.00 H ATOM 67 H ARG A 860 -4.377 10.718 -4.827 1.00 0.00 H ATOM 68 N ASP A 861 -4.883 11.849 -8.751 1.00 14.95 N ATOM 69 CA ASP A 861 -5.835 12.767 -9.368 1.00 17.18 C ATOM 70 C ASP A 861 -6.961 11.981 -10.051 1.00 16.72 C ATOM 71 O ASP A 861 -7.082 10.759 -9.907 1.00 15.20 O ATOM 72 CB ASP A 861 -5.132 13.754 -10.327 1.00 18.47 C ATOM 73 CG ASP A 861 -4.612 13.110 -11.629 1.00 17.38 C ATOM 74 OD1 ASP A 861 -4.861 11.914 -11.885 1.00 16.72 O ATOM 75 OD2 ASP A 861 -3.949 13.838 -12.424 1.00 17.88 O ATOM 76 H ASP A 861 -4.161 11.391 -9.343 1.00 0.00 H ATOM 77 N GLU A 862 -7.819 12.696 -10.781 1.00 14.78 N ATOM 78 CA GLU A 862 -9.003 12.073 -11.370 1.00 18.66 C ATOM 79 C GLU A 862 -8.652 11.065 -12.448 1.00 18.53 C ATOM 80 O GLU A 862 -9.478 10.199 -12.760 1.00 18.77 O ATOM 81 CB GLU A 862 -9.922 13.129 -11.973 1.00 19.28 C ATOM 82 CG GLU A 862 -10.953 13.658 -11.023 1.00 23.39 C ATOM 83 CD GLU A 862 -11.938 14.576 -11.712 1.00 24.28 C ATOM 84 OE1 GLU A 862 -11.504 15.542 -12.367 1.00 18.26 O ATOM 85 OE2 GLU A 862 -13.155 14.325 -11.595 1.00 27.66 O ATOM 86 H GLU A 862 -7.643 13.710 -10.933 1.00 0.00 H ATOM 87 N TRP A 863 -7.459 11.176 -13.029 1.00 15.26 N ATOM 88 CA TRP A 863 -6.991 10.304 -14.096 1.00 15.50 C ATOM 89 C TRP A 863 -6.254 9.080 -13.580 1.00 16.92 C ATOM 90 O TRP A 863 -5.888 8.216 -14.376 1.00 18.51 O ATOM 91 CB TRP A 863 -6.059 11.073 -15.029 1.00 15.99 C ATOM 92 CG TRP A 863 -6.643 12.349 -15.536 1.00 17.23 C ATOM 93 CD1 TRP A 863 -6.669 13.557 -14.900 1.00 15.30 C ATOM 94 CD2 TRP A 863 -7.273 12.550 -16.807 1.00 15.93 C ATOM 95 NE1 TRP A 863 -7.296 14.493 -15.690 1.00 16.80 N ATOM 96 CE2 TRP A 863 -7.665 13.901 -16.871 1.00 15.45 C ATOM 97 CE3 TRP A 863 -7.541 11.717 -17.890 1.00 15.09 C ATOM 98 CZ2 TRP A 863 -8.308 14.439 -17.984 1.00 16.00 C ATOM 99 CZ3 TRP A 863 -8.195 12.254 -18.999 1.00 15.93 C ATOM 100 CH2 TRP A 863 -8.559 13.600 -19.035 1.00 14.69 C ATOM 101 HE1 TRP A 863 -7.463 15.487 -15.434 1.00 0.00 H ATOM 102 H TRP A 863 -6.824 11.931 -12.701 1.00 0.00 H ATOM 103 N GLY A 864 -6.030 8.984 -12.276 1.00 14.48 N ATOM 104 CA GLY A 864 -5.232 7.917 -11.730 1.00 16.12 C ATOM 105 C GLY A 864 -3.760 8.237 -11.646 1.00 16.66 C ATOM 106 O GLY A 864 -2.971 7.362 -11.266 1.00 18.87 O ATOM 107 H GLY A 864 -6.439 9.694 -11.635 1.00 0.00 H ATOM 108 N ASN A 865 -3.367 9.457 -11.998 1.00 15.07 N ATOM 109 CA ASN A 865 -1.976 9.859 -11.868 1.00 13.66 C ATOM 110 C ASN A 865 -1.629 10.021 -10.396 1.00 14.64 C ATOM 111 O ASN A 865 -2.496 10.237 -9.553 1.00 15.11 O ATOM 112 CB ASN A 865 -1.718 11.170 -12.602 1.00 14.55 C ATOM 113 CG ASN A 865 -1.920 11.042 -14.100 1.00 15.82 C ATOM 114 OD1 ASN A 865 -1.526 10.045 -14.698 1.00 17.05 O ATOM 115 ND2 ASN A 865 -2.558 12.037 -14.703 1.00 16.26 N ATOM 116 HD22 ASN A 865 -2.873 12.862 -14.153 1.00 0.00 H ATOM 117 HD21 ASN A 865 -2.743 11.992 -15.725 1.00 0.00 H ATOM 118 H ASN A 865 -4.064 10.133 -12.371 1.00 0.00 H ATOM 119 N GLN A 866 -0.343 9.903 -10.096 1.00 16.97 N ATOM 120 CA GLN A 866 0.176 10.009 -8.742 1.00 15.35 C ATOM 121 C GLN A 866 0.888 11.338 -8.567 1.00 15.22 C ATOM 122 O GLN A 866 1.627 11.777 -9.448 1.00 16.64 O ATOM 123 CB GLN A 866 1.146 8.867 -8.447 1.00 21.18 C ATOM 124 CG GLN A 866 0.478 7.509 -8.452 1.00 23.68 C ATOM 125 CD GLN A 866 1.469 6.369 -8.440 1.00 26.70 C ATOM 126 OE1 GLN A 866 2.324 6.259 -9.321 1.00 31.69 O ATOM 127 NE2 GLN A 866 1.355 5.506 -7.448 1.00 28.93 N ATOM 128 HE22 GLN A 866 0.618 5.638 -6.726 1.00 0.00 H ATOM 129 HE21 GLN A 866 2.002 4.694 -7.388 1.00 0.00 H ATOM 130 H GLN A 866 0.329 9.725 -10.869 1.00 0.00 H ATOM 131 N ILE A 867 0.667 11.977 -7.426 1.00 14.88 N ATOM 132 CA ILE A 867 1.354 13.215 -7.083 1.00 15.08 C ATOM 133 C ILE A 867 2.059 12.972 -5.757 1.00 14.03 C ATOM 134 O ILE A 867 1.422 12.560 -4.784 1.00 15.78 O ATOM 135 CB ILE A 867 0.389 14.412 -6.992 1.00 15.34 C ATOM 136 CG1 ILE A 867 -0.328 14.636 -8.331 1.00 19.36 C ATOM 137 CG2 ILE A 867 1.158 15.674 -6.683 1.00 15.61 C ATOM 138 CD1 ILE A 867 -1.630 13.876 -8.470 1.00 20.60 C ATOM 139 H ILE A 867 -0.020 11.581 -6.753 1.00 0.00 H ATOM 140 N TRP A 868 3.369 13.183 -5.729 1.00 13.12 N ATOM 141 CA TRP A 868 4.120 12.927 -4.510 1.00 13.82 C ATOM 142 C TRP A 868 4.051 14.130 -3.587 1.00 13.90 C ATOM 143 O TRP A 868 3.964 15.272 -4.038 1.00 13.77 O ATOM 144 CB TRP A 868 5.572 12.602 -4.844 1.00 14.52 C ATOM 145 CG TRP A 868 5.826 11.165 -5.246 1.00 16.45 C ATOM 146 CD1 TRP A 868 6.536 10.236 -4.533 1.00 18.40 C ATOM 147 CD2 TRP A 868 5.405 10.504 -6.456 1.00 15.39 C ATOM 148 NE1 TRP A 868 6.579 9.042 -5.217 1.00 20.05 N ATOM 149 CE2 TRP A 868 5.898 9.180 -6.399 1.00 19.27 C ATOM 150 CE3 TRP A 868 4.671 10.905 -7.580 1.00 17.01 C ATOM 151 CZ2 TRP A 868 5.673 8.254 -7.415 1.00 18.97 C ATOM 152 CZ3 TRP A 868 4.451 9.983 -8.598 1.00 19.05 C ATOM 153 CH2 TRP A 868 4.948 8.672 -8.506 1.00 21.63 C ATOM 154 HE1 TRP A 868 7.052 8.175 -4.890 1.00 0.00 H ATOM 155 H TRP A 868 3.858 13.531 -6.578 1.00 0.00 H ATOM 156 N ILE A 869 4.094 13.861 -2.278 1.00 15.00 N ATOM 157 CA ILE A 869 4.075 14.890 -1.241 1.00 13.47 C ATOM 158 C ILE A 869 5.455 14.929 -0.601 1.00 13.04 C ATOM 159 O ILE A 869 6.021 13.878 -0.292 1.00 16.20 O ATOM 160 CB ILE A 869 2.998 14.615 -0.171 1.00 15.45 C ATOM 161 CG1 ILE A 869 1.618 14.373 -0.796 1.00 23.14 C ATOM 162 CG2 ILE A 869 2.928 15.762 0.838 1.00 19.48 C ATOM 163 CD1 ILE A 869 1.172 15.445 -1.726 1.00 20.26 C ATOM 164 H ILE A 869 4.144 12.865 -1.982 1.00 0.00 H ATOM 165 N CYS A 870 5.981 16.125 -0.398 1.00 13.22 N ATOM 166 CA CYS A 870 7.284 16.309 0.254 1.00 13.53 C ATOM 167 C CYS A 870 7.166 16.081 1.759 1.00 15.78 C ATOM 168 O CYS A 870 6.420 16.806 2.425 1.00 17.07 O ATOM 169 CB CYS A 870 7.786 17.718 -0.038 1.00 13.90 C ATOM 170 SG CYS A 870 9.329 18.190 0.784 1.00 15.80 S ATOM 171 H CYS A 870 5.453 16.965 -0.711 1.00 0.00 H ATOM 172 N PRO A 871 7.859 15.101 2.339 1.00 17.39 N ATOM 173 CA PRO A 871 7.767 14.930 3.799 1.00 15.50 C ATOM 174 C PRO A 871 8.393 16.074 4.574 1.00 19.91 C ATOM 175 O PRO A 871 8.114 16.204 5.771 1.00 19.19 O ATOM 176 CB PRO A 871 8.503 13.606 4.050 1.00 17.11 C ATOM 177 CG PRO A 871 8.537 12.919 2.661 1.00 14.94 C ATOM 178 CD PRO A 871 8.688 14.061 1.714 1.00 14.57 C ATOM 179 N GLY A 872 9.231 16.900 3.938 1.00 17.13 N ATOM 180 CA GLY A 872 9.889 17.977 4.662 1.00 20.46 C ATOM 181 C GLY A 872 8.964 19.139 4.969 1.00 23.26 C ATOM 182 O GLY A 872 8.977 19.673 6.082 1.00 22.01 O ATOM 183 H GLY A 872 9.413 16.772 2.922 1.00 0.00 H ATOM 184 N CYS A 873 8.148 19.549 3.993 1.00 18.30 N ATOM 185 CA CYS A 873 7.185 20.618 4.201 1.00 16.67 C ATOM 186 C CYS A 873 5.746 20.124 4.247 1.00 17.54 C ATOM 187 O CYS A 873 4.856 20.917 4.567 1.00 19.06 O ATOM 188 CB CYS A 873 7.328 21.681 3.102 1.00 19.42 C ATOM 189 SG CYS A 873 6.859 21.122 1.435 1.00 16.31 S ATOM 190 H CYS A 873 8.203 19.091 3.061 1.00 0.00 H ATOM 191 N ASN A 874 5.505 18.847 3.930 1.00 14.48 N ATOM 192 CA ASN A 874 4.188 18.201 3.914 1.00 17.34 C ATOM 193 C ASN A 874 3.260 18.756 2.839 1.00 20.01 C ATOM 194 O ASN A 874 2.032 18.569 2.920 1.00 19.18 O ATOM 195 CB ASN A 874 3.532 18.251 5.303 1.00 17.79 C ATOM 196 CG ASN A 874 4.187 17.283 6.265 1.00 20.23 C ATOM 197 OD1 ASN A 874 4.252 16.084 5.990 1.00 21.99 O ATOM 198 ND2 ASN A 874 4.732 17.797 7.372 1.00 25.94 N ATOM 199 HD22 ASN A 874 4.653 18.816 7.565 1.00 0.00 H ATOM 200 HD21 ASN A 874 5.235 17.178 8.040 1.00 0.00 H ATOM 201 H ASN A 874 6.324 18.260 3.672 1.00 0.00 H ATOM 202 N LYS A 875 3.819 19.380 1.800 1.00 17.35 N ATOM 203 CA LYS A 875 3.058 19.927 0.689 1.00 17.61 C ATOM 204 C LYS A 875 3.377 19.209 -0.622 1.00 17.61 C ATOM 205 O LYS A 875 4.458 18.631 -0.784 1.00 16.33 O ATOM 206 CB LYS A 875 3.332 21.427 0.529 1.00 20.97 C ATOM 207 CG LYS A 875 3.025 22.218 1.772 1.00 22.05 C ATOM 208 CD LYS A 875 3.346 23.672 1.567 1.00 29.53 C ATOM 209 CE LYS A 875 3.234 24.403 2.885 1.00 32.53 C ATOM 210 NZ LYS A 875 3.819 25.760 2.785 1.00 41.59 N ATOM 211 HZ1 LYS A 875 4.824 25.685 2.527 1.00 0.00 H ATOM 212 HZ2 LYS A 875 3.312 26.302 2.056 1.00 0.00 H ATOM 213 HZ3 LYS A 875 3.731 26.243 3.702 1.00 0.00 H ATOM 214 H LYS A 875 4.854 19.480 1.785 1.00 0.00 H ATOM 215 N PRO A 876 2.455 19.244 -1.582 1.00 16.56 N ATOM 216 CA PRO A 876 2.621 18.472 -2.821 1.00 16.31 C ATOM 217 C PRO A 876 3.733 18.986 -3.718 1.00 16.33 C ATOM 218 O PRO A 876 4.184 20.131 -3.626 1.00 18.93 O ATOM 219 CB PRO A 876 1.271 18.634 -3.529 1.00 17.74 C ATOM 220 CG PRO A 876 0.320 19.044 -2.485 1.00 20.95 C ATOM 221 CD PRO A 876 1.095 19.788 -1.440 1.00 17.86 C ATOM 222 N ASP A 877 4.160 18.095 -4.614 1.00 15.11 N ATOM 223 CA ASP A 877 4.838 18.470 -5.849 1.00 16.03 C ATOM 224 C ASP A 877 4.120 19.647 -6.494 1.00 18.65 C ATOM 225 O ASP A 877 2.927 19.572 -6.786 1.00 18.19 O ATOM 226 CB ASP A 877 4.844 17.247 -6.776 1.00 15.85 C ATOM 227 CG ASP A 877 5.331 17.532 -8.187 1.00 18.72 C ATOM 228 OD1 ASP A 877 5.766 18.652 -8.502 1.00 21.14 O ATOM 229 OD2 ASP A 877 5.292 16.577 -8.988 1.00 17.14 O ATOM 230 H ASP A 877 4.002 17.085 -4.423 1.00 0.00 H ATOM 231 N ASP A 878 4.834 20.758 -6.670 1.00 16.76 N ATOM 232 CA ASP A 878 4.265 21.941 -7.305 1.00 18.88 C ATOM 233 C ASP A 878 4.978 22.282 -8.604 1.00 20.53 C ATOM 234 O ASP A 878 4.934 23.433 -9.046 1.00 20.62 O ATOM 235 CB ASP A 878 4.297 23.139 -6.349 1.00 19.13 C ATOM 236 CG ASP A 878 5.705 23.500 -5.893 1.00 25.95 C ATOM 237 OD1 ASP A 878 6.687 22.917 -6.405 1.00 22.09 O ATOM 238 OD2 ASP A 878 5.829 24.383 -5.012 1.00 28.46 O ATOM 239 H ASP A 878 5.822 20.782 -6.346 1.00 0.00 H ATOM 240 N GLY A 879 5.648 21.304 -9.216 1.00 19.57 N ATOM 241 CA GLY A 879 6.378 21.512 -10.451 1.00 17.91 C ATOM 242 C GLY A 879 7.826 21.927 -10.288 1.00 21.41 C ATOM 243 O GLY A 879 8.551 21.988 -11.292 1.00 18.66 O ATOM 244 H GLY A 879 5.647 20.355 -8.790 1.00 0.00 H ATOM 245 N SER A 880 8.269 22.213 -9.068 1.00 17.23 N ATOM 246 CA SER A 880 9.644 22.636 -8.821 1.00 19.80 C ATOM 247 C SER A 880 10.538 21.413 -8.652 1.00 18.32 C ATOM 248 O SER A 880 10.051 20.290 -8.535 1.00 16.77 O ATOM 249 CB SER A 880 9.673 23.554 -7.601 1.00 18.11 C ATOM 250 OG SER A 880 9.165 22.916 -6.448 1.00 21.35 O ATOM 251 HG SER A 880 8.227 22.644 -6.609 1.00 0.00 H ATOM 252 H SER A 880 7.615 22.133 -8.263 1.00 0.00 H ATOM 253 N PRO A 881 11.862 21.599 -8.640 1.00 16.11 N ATOM 254 CA PRO A 881 12.770 20.440 -8.633 1.00 17.29 C ATOM 255 C PRO A 881 12.598 19.584 -7.388 1.00 17.37 C ATOM 256 O PRO A 881 12.358 20.091 -6.291 1.00 14.99 O ATOM 257 CB PRO A 881 14.160 21.080 -8.664 1.00 17.96 C ATOM 258 CG PRO A 881 13.946 22.404 -9.308 1.00 17.93 C ATOM 259 CD PRO A 881 12.588 22.862 -8.860 1.00 17.97 C ATOM 260 N MET A 882 12.741 18.269 -7.563 1.00 14.79 N ATOM 261 CA MET A 882 12.612 17.343 -6.448 1.00 14.16 C ATOM 262 C MET A 882 13.723 16.310 -6.536 1.00 13.81 C ATOM 263 O MET A 882 14.349 16.129 -7.589 1.00 16.38 O ATOM 264 CB MET A 882 11.239 16.656 -6.409 1.00 13.14 C ATOM 265 CG MET A 882 10.082 17.641 -6.233 1.00 13.62 C ATOM 266 SD MET A 882 8.466 16.837 -6.065 1.00 16.84 S ATOM 267 CE MET A 882 8.511 16.430 -4.313 1.00 15.63 C ATOM 268 H MET A 882 12.948 17.899 -8.513 1.00 0.00 H ATOM 269 N ILE A 883 13.988 15.662 -5.396 1.00 14.62 N ATOM 270 CA ILE A 883 15.028 14.647 -5.278 1.00 13.32 C ATOM 271 C ILE A 883 14.459 13.461 -4.504 1.00 13.73 C ATOM 272 O ILE A 883 13.646 13.635 -3.590 1.00 13.83 O ATOM 273 CB ILE A 883 16.294 15.232 -4.606 1.00 12.57 C ATOM 274 CG1 ILE A 883 17.446 14.235 -4.626 1.00 14.57 C ATOM 275 CG2 ILE A 883 15.996 15.692 -3.165 1.00 15.28 C ATOM 276 CD1 ILE A 883 18.779 14.890 -4.329 1.00 16.68 C ATOM 277 H ILE A 883 13.425 15.894 -4.553 1.00 0.00 H ATOM 278 N GLY A 884 14.875 12.251 -4.870 1.00 13.77 N ATOM 279 CA GLY A 884 14.296 11.026 -4.332 1.00 14.69 C ATOM 280 C GLY A 884 15.285 10.268 -3.461 1.00 14.92 C ATOM 281 O GLY A 884 16.447 10.109 -3.826 1.00 16.27 O ATOM 282 H GLY A 884 15.643 12.176 -5.567 1.00 0.00 H ATOM 283 N CYS A 885 14.804 9.783 -2.322 1.00 15.07 N ATOM 284 CA CYS A 885 15.666 9.043 -1.409 1.00 14.82 C ATOM 285 C CYS A 885 16.077 7.711 -2.024 1.00 20.16 C ATOM 286 O CYS A 885 15.236 6.962 -2.527 1.00 20.19 O ATOM 287 CB CYS A 885 14.950 8.804 -0.088 1.00 14.68 C ATOM 288 SG CYS A 885 16.018 7.949 1.076 1.00 15.70 S ATOM 289 H CYS A 885 13.804 9.933 -2.080 1.00 0.00 H ATOM 290 N ASP A 886 17.369 7.406 -1.969 1.00 16.91 N ATOM 291 CA ASP A 886 17.882 6.168 -2.543 1.00 19.23 C ATOM 292 C ASP A 886 17.647 4.950 -1.657 1.00 24.27 C ATOM 293 O ASP A 886 18.011 3.840 -2.063 1.00 27.45 O ATOM 294 CB ASP A 886 19.375 6.308 -2.861 1.00 20.90 C ATOM 295 CG ASP A 886 19.625 7.138 -4.103 1.00 23.81 C ATOM 296 OD1 ASP A 886 18.714 7.221 -4.947 1.00 24.62 O ATOM 297 OD2 ASP A 886 20.731 7.703 -4.243 1.00 23.55 O ATOM 298 H ASP A 886 18.028 8.064 -1.507 1.00 0.00 H ATOM 299 N ASP A 887 17.038 5.114 -0.481 1.00 17.65 N ATOM 300 CA ASP A 887 16.601 3.986 0.333 1.00 19.72 C ATOM 301 C ASP A 887 15.080 3.868 0.274 1.00 24.47 C ATOM 302 O ASP A 887 14.563 2.927 -0.334 1.00 27.39 O ATOM 303 CB ASP A 887 17.113 4.130 1.775 1.00 19.68 C ATOM 304 CG ASP A 887 16.784 2.920 2.661 1.00 29.18 C ATOM 305 OD1 ASP A 887 15.838 2.163 2.360 1.00 27.87 O ATOM 306 OD2 ASP A 887 17.468 2.735 3.690 1.00 28.36 O ATOM 307 H ASP A 887 16.869 6.079 -0.133 1.00 0.00 H ATOM 308 N CYS A 888 14.341 4.826 0.845 1.00 21.54 N ATOM 309 CA CYS A 888 12.889 4.704 0.980 1.00 20.26 C ATOM 310 C CYS A 888 12.094 5.252 -0.208 1.00 23.40 C ATOM 311 O CYS A 888 10.891 4.986 -0.292 1.00 23.52 O ATOM 312 CB CYS A 888 12.414 5.409 2.258 1.00 21.54 C ATOM 313 SG CYS A 888 12.448 7.212 2.197 1.00 18.11 S ATOM 314 H CYS A 888 14.812 5.681 1.203 1.00 0.00 H ATOM 315 N ASP A 889 12.715 6.021 -1.106 1.00 20.35 N ATOM 316 CA ASP A 889 12.082 6.557 -2.322 1.00 22.57 C ATOM 317 C ASP A 889 10.942 7.549 -2.037 1.00 20.31 C ATOM 318 O ASP A 889 10.063 7.744 -2.889 1.00 20.27 O ATOM 319 CB ASP A 889 11.594 5.427 -3.246 1.00 24.03 C ATOM 320 CG ASP A 889 11.481 5.857 -4.714 1.00 30.77 C ATOM 321 OD1 ASP A 889 12.355 6.609 -5.206 1.00 27.26 O ATOM 322 OD2 ASP A 889 10.506 5.440 -5.381 1.00 33.66 O ATOM 323 H ASP A 889 13.713 6.257 -0.935 1.00 0.00 H ATOM 324 N ASP A 890 10.929 8.186 -0.864 1.00 20.34 N ATOM 325 CA ASP A 890 10.194 9.437 -0.692 1.00 15.99 C ATOM 326 C ASP A 890 10.851 10.520 -1.537 1.00 15.21 C ATOM 327 O ASP A 890 12.057 10.491 -1.772 1.00 15.49 O ATOM 328 CB ASP A 890 10.191 9.888 0.776 1.00 16.86 C ATOM 329 CG ASP A 890 9.250 9.073 1.652 1.00 20.00 C ATOM 330 OD1 ASP A 890 8.404 8.327 1.114 1.00 20.66 O ATOM 331 OD2 ASP A 890 9.349 9.201 2.890 1.00 20.53 O ATOM 332 H ASP A 890 11.451 7.785 -0.059 1.00 0.00 H ATOM 333 N TRP A 891 10.057 11.493 -1.988 1.00 13.46 N ATOM 334 CA TRP A 891 10.564 12.581 -2.815 1.00 14.33 C ATOM 335 C TRP A 891 10.352 13.923 -2.125 1.00 13.24 C ATOM 336 O TRP A 891 9.298 14.174 -1.535 1.00 14.63 O ATOM 337 CB TRP A 891 9.892 12.569 -4.213 1.00 14.54 C ATOM 338 CG TRP A 891 10.473 11.493 -5.081 1.00 14.38 C ATOM 339 CD1 TRP A 891 10.234 10.150 -5.000 1.00 18.45 C ATOM 340 CD2 TRP A 891 11.428 11.667 -6.133 1.00 12.63 C ATOM 341 NE1 TRP A 891 10.974 9.479 -5.949 1.00 18.67 N ATOM 342 CE2 TRP A 891 11.713 10.388 -6.657 1.00 15.33 C ATOM 343 CE3 TRP A 891 12.071 12.781 -6.683 1.00 12.72 C ATOM 344 CZ2 TRP A 891 12.619 10.191 -7.697 1.00 16.96 C ATOM 345 CZ3 TRP A 891 12.970 12.582 -7.726 1.00 14.27 C ATOM 346 CH2 TRP A 891 13.232 11.298 -8.220 1.00 16.07 C ATOM 347 HE1 TRP A 891 10.971 8.450 -6.102 1.00 0.00 H ATOM 348 H TRP A 891 9.047 11.475 -1.742 1.00 0.00 H ATOM 349 N TYR A 892 11.365 14.779 -2.203 1.00 13.06 N ATOM 350 CA TYR A 892 11.421 16.049 -1.484 1.00 13.08 C ATOM 351 C TYR A 892 11.664 17.206 -2.450 1.00 14.54 C ATOM 352 O TYR A 892 12.431 17.060 -3.403 1.00 14.87 O ATOM 353 CB TYR A 892 12.574 16.045 -0.449 1.00 11.68 C ATOM 354 CG TYR A 892 12.371 15.227 0.810 1.00 14.57 C ATOM 355 CD1 TYR A 892 12.404 13.839 0.782 1.00 12.13 C ATOM 356 CD2 TYR A 892 12.179 15.857 2.043 1.00 13.71 C ATOM 357 CE1 TYR A 892 12.230 13.093 1.947 1.00 12.99 C ATOM 358 CE2 TYR A 892 12.028 15.126 3.212 1.00 14.55 C ATOM 359 CZ TYR A 892 12.050 13.747 3.163 1.00 13.96 C ATOM 360 OH TYR A 892 11.871 13.025 4.326 1.00 16.75 O ATOM 361 HH TYR A 892 11.914 12.057 4.122 1.00 0.00 H ATOM 362 H TYR A 892 12.168 14.529 -2.814 1.00 0.00 H ATOM 363 N HIS A 893 11.061 18.376 -2.176 1.00 14.33 N ATOM 364 CA HIS A 893 11.503 19.597 -2.850 1.00 14.08 C ATOM 365 C HIS A 893 12.957 19.885 -2.476 1.00 15.61 C ATOM 366 O HIS A 893 13.336 19.758 -1.314 1.00 15.20 O ATOM 367 CB HIS A 893 10.659 20.813 -2.443 1.00 15.20 C ATOM 368 CG HIS A 893 9.175 20.642 -2.601 1.00 15.96 C ATOM 369 ND1 HIS A 893 8.326 20.572 -1.518 1.00 18.46 N ATOM 370 CD2 HIS A 893 8.387 20.584 -3.703 1.00 17.45 C ATOM 371 CE1 HIS A 893 7.079 20.459 -1.943 1.00 14.61 C ATOM 372 NE2 HIS A 893 7.087 20.465 -3.265 1.00 16.55 N ATOM 373 H HIS A 893 10.283 18.413 -1.487 1.00 0.00 H ATOM 374 N TRP A 894 13.768 20.317 -3.451 1.00 13.76 N ATOM 375 CA TRP A 894 15.164 20.665 -3.162 1.00 15.65 C ATOM 376 C TRP A 894 15.344 21.605 -1.975 1.00 16.64 C ATOM 377 O TRP A 894 16.153 21.287 -1.089 1.00 17.68 O ATOM 378 CB TRP A 894 15.838 21.292 -4.391 1.00 17.88 C ATOM 379 CG TRP A 894 16.187 20.353 -5.473 1.00 16.33 C ATOM 380 CD1 TRP A 894 15.809 19.053 -5.598 1.00 15.54 C ATOM 381 CD2 TRP A 894 17.001 20.653 -6.608 1.00 17.34 C ATOM 382 NE1 TRP A 894 16.337 18.519 -6.759 1.00 15.99 N ATOM 383 CE2 TRP A 894 17.081 19.483 -7.387 1.00 16.24 C ATOM 384 CE3 TRP A 894 17.689 21.798 -7.031 1.00 19.92 C ATOM 385 CZ2 TRP A 894 17.806 19.427 -8.581 1.00 21.22 C ATOM 386 CZ3 TRP A 894 18.408 21.740 -8.220 1.00 21.74 C ATOM 387 CH2 TRP A 894 18.462 20.563 -8.974 1.00 21.48 C ATOM 388 HE1 TRP A 894 16.193 17.547 -7.099 1.00 0.00 H ATOM 389 H TRP A 894 13.405 20.407 -4.421 1.00 0.00 H ATOM 390 N PRO A 895 14.678 22.766 -1.897 1.00 16.95 N ATOM 391 CA PRO A 895 14.939 23.654 -0.752 1.00 21.16 C ATOM 392 C PRO A 895 14.598 23.027 0.584 1.00 17.86 C ATOM 393 O PRO A 895 15.207 23.381 1.600 1.00 18.69 O ATOM 394 CB PRO A 895 14.059 24.879 -1.044 1.00 21.94 C ATOM 395 CG PRO A 895 13.041 24.405 -2.041 1.00 21.12 C ATOM 396 CD PRO A 895 13.783 23.409 -2.873 1.00 19.67 C ATOM 397 N CYS A 896 13.651 22.089 0.623 1.00 18.00 N ATOM 398 CA CYS A 896 13.272 21.507 1.904 1.00 17.60 C ATOM 399 C CYS A 896 14.336 20.576 2.458 1.00 18.87 C ATOM 400 O CYS A 896 14.252 20.202 3.635 1.00 19.49 O ATOM 401 CB CYS A 896 11.938 20.774 1.779 1.00 17.89 C ATOM 402 SG CYS A 896 10.597 21.868 1.171 1.00 19.06 S ATOM 403 H CYS A 896 13.187 21.776 -0.253 1.00 0.00 H ATOM 404 N VAL A 897 15.329 20.199 1.650 1.00 17.10 N ATOM 405 CA VAL A 897 16.484 19.449 2.125 1.00 18.51 C ATOM 406 C VAL A 897 17.780 20.215 1.861 1.00 20.04 C ATOM 407 O VAL A 897 18.848 19.616 1.721 1.00 19.70 O ATOM 408 CB VAL A 897 16.532 18.032 1.519 1.00 16.59 C ATOM 409 CG1 VAL A 897 15.431 17.168 2.115 1.00 16.40 C ATOM 410 CG2 VAL A 897 16.414 18.079 -0.013 1.00 18.50 C ATOM 411 H VAL A 897 15.276 20.450 0.642 1.00 0.00 H ATOM 412 N GLY A 898 17.686 21.538 1.753 1.00 20.58 N ATOM 413 CA GLY A 898 18.878 22.369 1.715 1.00 22.94 C ATOM 414 C GLY A 898 19.659 22.350 0.423 1.00 23.49 C ATOM 415 O GLY A 898 20.841 22.710 0.423 1.00 24.11 O ATOM 416 H GLY A 898 16.748 21.983 1.695 1.00 0.00 H ATOM 417 N ILE A 899 19.038 21.969 -0.687 1.00 21.13 N ATOM 418 CA ILE A 899 19.720 21.836 -1.969 1.00 22.59 C ATOM 419 C ILE A 899 19.389 23.038 -2.846 1.00 25.25 C ATOM 420 O ILE A 899 18.215 23.373 -3.035 1.00 22.79 O ATOM 421 CB ILE A 899 19.326 20.521 -2.662 1.00 22.81 C ATOM 422 CG1 ILE A 899 19.875 19.328 -1.880 1.00 24.50 C ATOM 423 CG2 ILE A 899 19.832 20.485 -4.075 1.00 24.11 C ATOM 424 CD1 ILE A 899 19.442 17.988 -2.446 1.00 23.64 C ATOM 425 H ILE A 899 18.021 21.756 -0.640 1.00 0.00 H ATOM 426 N MET A 900 20.425 23.678 -3.393 1.00 32.76 N ATOM 427 CA MET A 900 20.270 24.785 -4.331 1.00 33.79 C ATOM 428 C MET A 900 20.616 24.428 -5.765 1.00 35.45 C ATOM 429 O MET A 900 19.975 24.930 -6.691 1.00 36.13 O ATOM 430 CB MET A 900 21.135 25.970 -3.897 1.00 39.87 C ATOM 431 CG MET A 900 20.570 26.671 -2.691 1.00 36.44 C ATOM 432 SD MET A 900 18.925 27.270 -3.101 1.00 57.57 S ATOM 433 CE MET A 900 18.066 26.938 -1.573 1.00 33.04 C ATOM 434 H MET A 900 21.387 23.374 -3.139 1.00 0.00 H ATOM 435 N THR A 901 21.620 23.593 -5.972 1.00 34.24 N ATOM 436 CA THR A 901 21.997 23.117 -7.287 1.00 35.71 C ATOM 437 C THR A 901 21.947 21.601 -7.259 1.00 33.80 C ATOM 438 O THR A 901 21.982 20.987 -6.190 1.00 36.11 O ATOM 439 CB THR A 901 23.398 23.589 -7.665 1.00 38.77 C ATOM 440 OG1 THR A 901 24.353 22.881 -6.868 1.00 40.86 O ATOM 441 CG2 THR A 901 23.545 25.072 -7.379 1.00 35.73 C ATOM 442 HG1 THR A 901 24.268 21.910 -7.039 1.00 0.00 H ATOM 443 H THR A 901 22.166 23.262 -5.151 1.00 0.00 H ATOM 444 N ALA A 902 21.861 21.001 -8.436 1.00 32.16 N ATOM 445 CA ALA A 902 21.812 19.551 -8.495 1.00 34.77 C ATOM 446 C ALA A 902 23.037 18.969 -7.796 1.00 36.75 C ATOM 447 O ALA A 902 24.146 19.503 -7.935 1.00 37.59 O ATOM 448 CB ALA A 902 21.754 19.067 -9.946 1.00 35.61 C ATOM 449 H ALA A 902 21.829 21.563 -9.310 1.00 0.00 H ATOM 450 N PRO A 903 22.878 17.904 -7.020 1.00 35.73 N ATOM 451 CA PRO A 903 24.042 17.217 -6.475 1.00 33.39 C ATOM 452 C PRO A 903 24.874 16.651 -7.606 1.00 36.21 C ATOM 453 O PRO A 903 24.398 16.578 -8.748 1.00 31.87 O ATOM 454 CB PRO A 903 23.429 16.094 -5.623 1.00 34.05 C ATOM 455 CG PRO A 903 22.036 16.523 -5.363 1.00 33.27 C ATOM 456 CD PRO A 903 21.616 17.283 -6.586 1.00 32.36 C ATOM 457 N PRO A 904 26.118 16.262 -7.343 1.00 34.51 N ATOM 458 CA PRO A 904 26.834 15.423 -8.309 1.00 39.26 C ATOM 459 C PRO A 904 25.952 14.246 -8.704 1.00 37.81 C ATOM 460 O PRO A 904 25.396 13.553 -7.852 1.00 38.81 O ATOM 461 CB PRO A 904 28.081 14.981 -7.536 1.00 33.40 C ATOM 462 CG PRO A 904 28.288 16.076 -6.525 1.00 32.61 C ATOM 463 CD PRO A 904 26.912 16.533 -6.132 1.00 37.51 C ATOM 464 N GLU A 905 25.786 14.046 -10.012 1.00 43.32 N ATOM 465 CA GLU A 905 24.721 13.159 -10.476 1.00 40.62 C ATOM 466 C GLU A 905 24.943 11.717 -10.038 1.00 36.14 C ATOM 467 O GLU A 905 23.979 10.953 -9.921 1.00 39.39 O ATOM 468 CB GLU A 905 24.596 13.244 -11.996 1.00 46.86 C ATOM 469 CG GLU A 905 23.175 13.157 -12.527 1.00 48.00 C ATOM 470 CD GLU A 905 23.005 13.893 -13.850 1.00 53.32 C ATOM 471 OE1 GLU A 905 23.797 14.823 -14.124 1.00 52.55 O ATOM 472 OE2 GLU A 905 22.084 13.543 -14.618 1.00 51.95 O ATOM 473 H GLU A 905 26.410 14.518 -10.697 1.00 0.00 H ATOM 474 N GLU A 906 26.188 11.325 -9.783 1.00 32.36 N ATOM 475 CA GLU A 906 26.462 9.977 -9.304 1.00 32.25 C ATOM 476 C GLU A 906 26.347 9.838 -7.792 1.00 24.89 C ATOM 477 O GLU A 906 26.369 8.710 -7.292 1.00 25.06 O ATOM 478 CB GLU A 906 27.861 9.531 -9.734 1.00 27.09 C ATOM 479 CG GLU A 906 28.082 9.547 -11.236 1.00 42.21 C ATOM 480 CD GLU A 906 29.414 8.927 -11.625 1.00 52.82 C ATOM 481 OE1 GLU A 906 29.598 7.714 -11.371 1.00 54.20 O ATOM 482 OE2 GLU A 906 30.281 9.656 -12.165 1.00 53.57 O ATOM 483 H GLU A 906 26.975 11.989 -9.927 1.00 0.00 H ATOM 484 N MET A 907 26.243 10.943 -7.062 1.00 24.71 N ATOM 485 CA MET A 907 26.215 10.895 -5.605 1.00 20.93 C ATOM 486 C MET A 907 24.934 10.237 -5.108 1.00 24.23 C ATOM 487 O MET A 907 23.841 10.583 -5.559 1.00 22.65 O ATOM 488 CB MET A 907 26.316 12.310 -5.047 1.00 22.67 C ATOM 489 CG MET A 907 26.477 12.395 -3.541 1.00 21.67 C ATOM 490 SD MET A 907 26.201 14.077 -2.922 1.00 27.85 S ATOM 491 CE MET A 907 24.474 13.980 -2.456 1.00 21.20 C ATOM 492 H MET A 907 26.180 11.864 -7.541 1.00 0.00 H ATOM 493 N GLN A 908 25.058 9.302 -4.163 1.00 21.53 N ATOM 494 CA GLN A 908 23.869 8.793 -3.486 1.00 23.25 C ATOM 495 C GLN A 908 23.255 9.895 -2.634 1.00 21.74 C ATOM 496 O GLN A 908 23.971 10.705 -2.035 1.00 19.88 O ATOM 497 CB GLN A 908 24.205 7.591 -2.592 1.00 20.63 C ATOM 498 CG GLN A 908 24.605 6.343 -3.351 1.00 22.53 C ATOM 499 CD GLN A 908 24.787 5.126 -2.456 1.00 21.78 C ATOM 500 OE1 GLN A 908 24.944 5.242 -1.241 1.00 23.96 O ATOM 501 NE2 GLN A 908 24.766 3.942 -3.063 1.00 30.39 N ATOM 502 HE22 GLN A 908 24.631 3.888 -4.093 1.00 0.00 H ATOM 503 HE21 GLN A 908 24.885 3.071 -2.508 1.00 0.00 H ATOM 504 H GLN A 908 25.999 8.937 -3.910 1.00 0.00 H ATOM 505 N TRP A 909 21.920 9.935 -2.583 1.00 19.70 N ATOM 506 CA TRP A 909 21.236 10.846 -1.676 1.00 17.70 C ATOM 507 C TRP A 909 20.225 10.080 -0.831 1.00 17.90 C ATOM 508 O TRP A 909 19.485 9.230 -1.338 1.00 16.47 O ATOM 509 CB TRP A 909 20.535 11.980 -2.431 1.00 19.13 C ATOM 510 CG TRP A 909 19.934 13.010 -1.501 1.00 16.50 C ATOM 511 CD1 TRP A 909 20.576 14.082 -0.954 1.00 16.16 C ATOM 512 CD2 TRP A 909 18.580 13.063 -1.013 1.00 14.11 C ATOM 513 NE1 TRP A 909 19.720 14.800 -0.167 1.00 14.85 N ATOM 514 CE2 TRP A 909 18.489 14.191 -0.173 1.00 16.08 C ATOM 515 CE3 TRP A 909 17.447 12.260 -1.191 1.00 15.55 C ATOM 516 CZ2 TRP A 909 17.315 14.544 0.476 1.00 14.85 C ATOM 517 CZ3 TRP A 909 16.267 12.622 -0.558 1.00 15.07 C ATOM 518 CH2 TRP A 909 16.213 13.749 0.281 1.00 16.16 C ATOM 519 HE1 TRP A 909 19.962 15.668 0.353 1.00 0.00 H ATOM 520 H TRP A 909 21.363 9.308 -3.198 1.00 0.00 H ATOM 521 N PHE A 910 20.196 10.390 0.465 1.00 15.54 N ATOM 522 CA PHE A 910 19.236 9.793 1.386 1.00 15.01 C ATOM 523 C PHE A 910 18.521 10.891 2.160 1.00 15.58 C ATOM 524 O PHE A 910 19.097 11.935 2.466 1.00 14.36 O ATOM 525 CB PHE A 910 19.930 8.825 2.356 1.00 15.82 C ATOM 526 CG PHE A 910 20.661 7.710 1.661 1.00 15.81 C ATOM 527 CD1 PHE A 910 20.005 6.545 1.308 1.00 18.77 C ATOM 528 CD2 PHE A 910 21.998 7.842 1.340 1.00 20.53 C ATOM 529 CE1 PHE A 910 20.672 5.526 0.648 1.00 18.42 C ATOM 530 CE2 PHE A 910 22.667 6.828 0.691 1.00 20.68 C ATOM 531 CZ PHE A 910 22.008 5.668 0.353 1.00 20.78 C ATOM 532 H PHE A 910 20.881 11.081 0.832 1.00 0.00 H ATOM 533 N CYS A 911 17.246 10.648 2.458 1.00 15.54 N ATOM 534 CA CYS A 911 16.420 11.617 3.155 1.00 13.80 C ATOM 535 C CYS A 911 16.816 11.670 4.627 1.00 13.83 C ATOM 536 O CYS A 911 17.577 10.825 5.104 1.00 14.49 O ATOM 537 CB CYS A 911 14.944 11.241 3.006 1.00 13.47 C ATOM 538 SG CYS A 911 14.440 9.835 4.019 1.00 16.28 S ATOM 539 H CYS A 911 16.829 9.736 2.183 1.00 0.00 H ATOM 540 N PRO A 912 16.331 12.667 5.372 1.00 14.58 N ATOM 541 CA PRO A 912 16.782 12.791 6.767 1.00 14.49 C ATOM 542 C PRO A 912 16.417 11.604 7.630 1.00 18.18 C ATOM 543 O PRO A 912 17.138 11.320 8.597 1.00 17.11 O ATOM 544 CB PRO A 912 16.087 14.076 7.239 1.00 17.67 C ATOM 545 CG PRO A 912 15.952 14.885 5.955 1.00 19.54 C ATOM 546 CD PRO A 912 15.535 13.844 4.964 1.00 14.88 C ATOM 547 N LYS A 913 15.311 10.911 7.332 1.00 17.35 N ATOM 548 CA LYS A 913 14.955 9.737 8.123 1.00 18.24 C ATOM 549 C LYS A 913 15.911 8.585 7.854 1.00 19.03 C ATOM 550 O LYS A 913 16.325 7.882 8.782 1.00 19.16 O ATOM 551 CB LYS A 913 13.520 9.303 7.825 1.00 21.12 C ATOM 552 CG LYS A 913 12.491 10.421 7.854 1.00 23.91 C ATOM 553 CD LYS A 913 11.087 9.860 7.581 1.00 26.88 C ATOM 554 CE LYS A 913 10.119 10.923 7.066 1.00 30.53 C ATOM 555 NZ LYS A 913 9.741 11.930 8.096 1.00 33.81 N ATOM 556 HZ1 LYS A 913 9.281 11.450 8.896 1.00 0.00 H ATOM 557 HZ2 LYS A 913 10.595 12.421 8.429 1.00 0.00 H ATOM 558 HZ3 LYS A 913 9.084 12.620 7.680 1.00 0.00 H ATOM 559 H LYS A 913 14.707 11.208 6.539 1.00 0.00 H ATOM 560 N CYS A 914 16.252 8.359 6.588 1.00 15.15 N ATOM 561 CA CYS A 914 17.181 7.296 6.233 1.00 15.56 C ATOM 562 C CYS A 914 18.622 7.634 6.569 1.00 18.20 C ATOM 563 O CYS A 914 19.439 6.715 6.706 1.00 19.67 O ATOM 564 CB CYS A 914 17.052 6.973 4.743 1.00 19.36 C ATOM 565 SG CYS A 914 15.458 6.203 4.361 1.00 20.22 S ATOM 566 H CYS A 914 15.847 8.954 5.837 1.00 0.00 H ATOM 567 N ALA A 915 18.950 8.920 6.715 1.00 15.79 N ATOM 568 CA ALA A 915 20.301 9.310 7.105 1.00 17.20 C ATOM 569 C ALA A 915 20.544 9.200 8.609 1.00 18.57 C ATOM 570 O ALA A 915 21.684 9.359 9.046 1.00 17.88 O ATOM 571 CB ALA A 915 20.586 10.739 6.648 1.00 16.78 C ATOM 572 H ALA A 915 18.232 9.654 6.548 1.00 0.00 H ATOM 573 N ASN A 916 19.508 8.955 9.405 1.00 17.43 N ATOM 574 CA ASN A 916 19.687 8.760 10.839 1.00 17.47 C ATOM 575 C ASN A 916 20.610 7.579 11.110 1.00 19.66 C ATOM 576 O ASN A 916 20.634 6.597 10.365 1.00 20.10 O ATOM 577 CB ASN A 916 18.340 8.498 11.523 1.00 17.96 C ATOM 578 CG ASN A 916 17.494 9.753 11.700 1.00 18.15 C ATOM 579 OD1 ASN A 916 17.996 10.841 11.980 1.00 17.12 O ATOM 580 ND2 ASN A 916 16.186 9.592 11.559 1.00 15.23 N ATOM 581 HD22 ASN A 916 15.800 8.656 11.322 1.00 0.00 H ATOM 582 HD21 ASN A 916 15.546 10.402 11.686 1.00 0.00 H ATOM 583 H ASN A 916 18.553 8.901 8.998 1.00 0.00 H ATOM 584 N LYS A 917 21.346 7.667 12.213 1.00 19.41 N ATOM 585 CA LYS A 917 22.180 6.566 12.678 1.00 19.30 C ATOM 586 C LYS A 917 21.919 6.253 14.147 1.00 20.17 C ATOM 587 O LYS A 917 22.229 5.154 14.635 1.00 24.31 O ATOM 588 CB LYS A 917 23.657 6.902 12.482 1.00 18.76 C ATOM 589 CG LYS A 917 24.051 7.084 11.029 1.00 18.31 C ATOM 590 CD LYS A 917 25.539 7.266 10.914 1.00 18.91 C ATOM 591 CE LYS A 917 25.974 7.579 9.479 1.00 20.10 C ATOM 592 NZ LYS A 917 27.476 7.718 9.396 1.00 22.17 N ATOM 593 OXT LYS A 917 21.404 7.101 14.887 1.00 22.54 O ATOM 594 HZ1 LYS A 917 27.786 8.491 10.019 1.00 0.00 H ATOM 595 HZ2 LYS A 917 27.922 6.828 9.697 1.00 0.00 H ATOM 596 HZ3 LYS A 917 27.750 7.930 8.415 1.00 0.00 H ATOM 597 H LYS A 917 21.326 8.550 12.762 1.00 0.00 H TER 598 LYS A 917 HETATM 599 ZN ZN A 1 14.520 7.819 2.896 1.00 18.06 ZN HETATM 600 ZN ZN A 2 8.897 20.467 0.558 1.00 17.72 ZN HETATM 601 MG MG A 3 4.960 17.300 -11.213 1.00 19.30 MG HETATM 602 O HOH 4 11.346 10.577 4.138 1.00 19.94 O HETATM 603 O HOH 5 5.578 14.360 7.267 1.00 34.20 O HETATM 604 O HOH 6 4.951 14.233 -8.113 1.00 18.41 O HETATM 605 O HOH 7 3.136 22.437 -3.048 1.00 27.54 O HETATM 606 O HOH 8 23.220 4.502 16.995 1.00 27.56 O HETATM 607 O HOH 9 6.795 6.844 2.598 1.00 32.91 O HETATM 608 O HOH 10 -2.584 8.630 -0.008 1.00 27.92 O HETATM 609 O HOH 11 8.804 8.103 5.256 1.00 33.74 O HETATM 610 O HOH 12 8.177 25.308 -4.153 1.00 36.16 O HETATM 611 O HOH 13 2.593 24.723 -9.240 1.00 36.36 O HETATM 612 O HOH 14 18.806 14.076 4.064 1.00 14.98 O HETATM 613 O HOH 15 23.002 23.366 -2.678 1.00 39.21 O HETATM 614 O HOH 16 11.712 22.514 -5.305 1.00 19.64 O HETATM 615 O HOH 17 15.482 25.409 3.373 1.00 36.73 O HETATM 616 O HOH 18 7.875 6.793 -4.194 1.00 33.62 O HETATM 617 O HOH 19 18.838 10.277 -5.164 1.00 20.91 O HETATM 618 O HOH 20 7.189 11.620 -1.339 1.00 17.17 O HETATM 619 O HOH 21 20.411 17.434 1.100 1.00 18.55 O HETATM 620 O HOH 22 21.994 5.343 8.318 1.00 29.75 O HETATM 621 O HOH 23 23.680 20.443 -4.084 1.00 34.30 O HETATM 622 O HOH 24 28.171 10.018 10.787 1.00 22.08 O HETATM 623 O HOH 25 -4.922 16.092 -13.740 1.00 18.30 O HETATM 624 O HOH 26 18.538 5.294 9.064 1.00 31.74 O HETATM 625 O HOH 27 16.421 25.323 -3.975 1.00 26.82 O HETATM 626 O HOH 28 -8.203 8.747 -8.294 1.00 27.21 O HETATM 627 O HOH 29 -14.165 11.722 -11.948 1.00 40.29 O HETATM 628 O HOH 30 14.332 18.376 5.808 1.00 36.49 O HETATM 629 O HOH 31 -2.378 15.931 -11.300 1.00 22.41 O HETATM 630 O HOH 32 11.257 14.039 9.265 1.00 37.88 O HETATM 631 O HOH 33 -3.084 7.734 -15.336 1.00 27.27 O HETATM 632 O HOH 34 12.084 20.514 5.476 1.00 35.22 O HETATM 633 O HOH 35 0.635 21.247 -6.384 1.00 27.69 O HETATM 634 O HOH 36 7.630 21.248 -13.906 1.00 32.30 O HETATM 635 O HOH 37 3.276 14.024 -10.169 1.00 21.00 O HETATM 636 O HOH 38 7.761 20.152 -6.773 1.00 21.24 O HETATM 637 O HOH 39 25.090 3.140 0.747 1.00 30.62 O HETATM 638 O HOH 40 15.084 6.911 11.374 1.00 30.19 O HETATM 639 O HOH 41 21.880 7.898 -6.921 1.00 33.23 O HETATM 640 O HOH 42 -5.676 9.807 -3.587 1.00 17.42 O HETATM 641 O HOH 43 23.013 3.003 12.729 1.00 41.95 O HETATM 642 O HOH 44 12.193 14.373 6.972 1.00 31.65 O HETATM 643 O HOH 45 4.622 24.178 -2.271 1.00 36.04 O HETATM 644 O HOH 46 -14.536 16.992 -11.647 1.00 34.66 O HETATM 645 O HOH 47 30.486 9.648 -15.225 1.00 42.90 O HETATM 646 O HOH 48 -1.514 8.397 2.452 1.00 29.52 O HETATM 647 O HOH 49 8.554 4.911 1.790 1.00 35.99 O HETATM 648 O HOH 50 10.893 22.414 5.234 1.00 35.84 O HETATM 649 O HOH 51 11.738 24.782 1.661 1.00 26.96 O HETATM 650 O HOH 52 17.972 18.466 4.908 1.00 26.56 O HETATM 651 O HOH 53 10.906 6.856 5.243 1.00 33.12 O HETATM 652 O HOH 54 22.813 3.540 10.152 1.00 37.37 O HETATM 653 O HOH 55 13.353 5.833 6.350 1.00 35.12 O HETATM 654 O HOH 56 12.517 25.242 -5.751 1.00 28.06 O HETATM 655 O HOH 57 8.758 24.702 -1.647 1.00 29.29 O HETATM 656 O HOH 58 12.690 25.405 4.240 1.00 31.40 O HETATM 657 O HOH 59 6.653 24.118 0.022 1.00 31.53 O HETATM 658 O HOH 60 0.813 22.846 -4.681 1.00 33.12 O HETATM 659 O HOH 61 12.686 16.984 6.924 1.00 33.91 O HETATM 660 O HOH 62 15.213 24.663 -6.231 1.00 30.34 O HETATM 661 O HOH 63 11.805 26.495 -7.703 1.00 34.63 O HETATM 662 O HOH 64 6.686 6.080 5.318 1.00 40.55 O HETATM 663 O HOH 65 10.369 26.434 0.000 1.00 28.92 O HETATM 664 O HOH 66 10.915 22.943 -12.413 1.00 30.23 O HETATM 665 O HOH 67 20.421 14.214 -10.928 1.00 34.27 O HETATM 666 O HOH 68 15.371 10.699 -12.292 1.00 35.03 O HETATM 667 O HOH 69 18.331 12.319 -12.344 1.00 30.50 O HETATM 668 O HOH 70 14.810 20.692 -19.577 1.00 40.74 O HETATM 669 O HOH 71 13.531 9.055 -11.891 1.00 36.59 O HETATM 670 N ALA A 72 22.576 11.478 -7.686 1.00 0.24 N HETATM 671 CA ALA A 72 21.240 11.497 -7.103 1.00 0.06 C HETATM 672 C ALA A 72 20.186 11.442 -8.191 1.00 0.23 C HETATM 673 O ALA A 72 20.455 11.767 -9.346 1.00 -0.39 O HETATM 674 N ALA A 72 18.985 11.029 -7.805 1.00 -0.26 N HETATM 675 CA ALA A 72 17.836 10.971 -8.700 1.00 0.13 C HETATM 676 C ALA A 72 16.999 12.226 -8.496 1.00 0.20 C HETATM 677 O ALA A 72 16.429 12.434 -7.416 1.00 -0.39 O HETATM 678 N ALA A 72 16.935 13.059 -9.529 1.00 -0.26 N HETATM 679 CA ALA A 72 16.202 14.313 -9.461 1.00 0.16 C HETATM 680 C ALA A 72 15.205 14.409 -10.605 1.00 0.21 C HETATM 681 O ALA A 72 15.369 13.780 -11.664 1.00 -0.39 O HETATM 682 N ALA A 72 14.164 15.197 -10.376 1.00 -0.26 N HETATM 683 CA ALA A 72 13.135 15.404 -11.374 1.00 0.13 C HETATM 684 CB ALA A 72 11.855 14.574 -11.194 1.00 -0.01 C HETATM 685 CG ALA A 72 12.114 13.082 -11.278 1.00 -0.05 C HETATM 686 CD ALA A 72 10.822 12.347 -10.962 1.00 -0.03 C HETATM 687 CE ALA A 72 11.021 10.827 -11.025 1.00 0.03 C HETATM 688 NZ ALA A 72 10.040 10.132 -10.236 1.00 -0.29 N HETATM 689 CH ALA A 72 10.072 8.796 -9.845 1.00 0.17 C HETATM 690 OH ALA A 72 9.159 8.302 -9.146 1.00 -0.40 O HETATM 691 CH3 ALA A 72 11.240 7.943 -10.269 1.00 0.03 C HETATM 692 H28 ALA A 72 11.934 8.546 -10.873 1.00 0.05 H HETATM 693 H29 ALA A 72 10.876 7.094 -10.867 1.00 0.05 H HETATM 694 H30 ALA A 72 11.762 7.566 -9.377 1.00 0.05 H HETATM 695 H31 ALA A 72 9.249 10.666 -9.936 1.00 0.18 H HETATM 696 H32 ALA A 72 10.935 10.499 -12.071 1.00 0.05 H HETATM 697 H33 ALA A 72 12.024 10.582 -10.645 1.00 0.05 H HETATM 698 H34 ALA A 72 10.489 12.624 -9.951 1.00 0.03 H HETATM 699 H35 ALA A 72 10.054 12.639 -11.694 1.00 0.03 H HETATM 700 H36 ALA A 72 12.450 12.821 -12.292 1.00 0.03 H HETATM 701 H37 ALA A 72 12.889 12.799 -10.550 1.00 0.03 H HETATM 702 H38 ALA A 72 11.422 14.802 -10.209 1.00 0.03 H HETATM 703 H39 ALA A 72 11.140 14.853 -11.982 1.00 0.03 H HETATM 704 C ALA A 72 12.755 16.876 -11.365 1.00 0.20 C HETATM 705 O ALA A 72 12.913 17.608 -10.394 1.00 -0.39 O HETATM 706 N ALA A 72 12.260 17.325 -12.522 1.00 -0.26 N HETATM 707 CA ALA A 72 11.728 18.674 -12.698 1.00 0.13 C HETATM 708 C ALA A 72 12.776 19.767 -12.524 1.00 0.20 C HETATM 709 O ALA A 72 12.496 20.852 -12.009 1.00 -0.39 O HETATM 710 N ALA A 72 13.986 19.481 -12.985 1.00 -0.26 N HETATM 711 CA ALA A 72 15.058 20.457 -12.906 1.00 0.16 C HETATM 712 C ALA A 72 14.972 21.440 -14.072 1.00 0.21 C HETATM 713 O ALA A 72 14.371 21.160 -15.111 1.00 -0.39 O HETATM 714 N ALA A 72 15.574 22.610 -13.881 1.00 -0.27 N HETATM 715 CA ALA A 72 15.626 23.632 -14.923 1.00 0.09 C HETATM 716 C ALA A 72 16.390 23.138 -16.147 1.00 0.06 C HETATM 717 O ALA A 72 16.117 23.560 -17.273 1.00 -0.57 O HETATM 718 OXT ALA A 72 17.294 22.308 -16.033 1.00 -0.57 O HETATM 719 CB ALA A 72 16.264 24.903 -14.386 1.00 -0.03 C HETATM 720 H59 ALA A 72 16.296 25.662 -15.182 1.00 0.03 H HETATM 721 H60 ALA A 72 17.287 24.685 -14.047 1.00 0.03 H HETATM 722 H61 ALA A 72 15.671 25.282 -13.541 1.00 0.03 H HETATM 723 H58 ALA A 72 14.595 23.863 -15.230 1.00 0.07 H HETATM 724 H57 ALA A 72 16.004 22.796 -12.998 1.00 0.19 H HETATM 725 CB ALA A 72 16.409 19.752 -12.899 1.00 0.09 C HETATM 726 OG1 ALA A 72 16.513 18.925 -14.052 1.00 -0.39 O HETATM 727 H53 ALA A 72 17.355 18.485 -14.050 1.00 0.21 H HETATM 728 CG2 ALA A 72 16.522 18.865 -11.675 1.00 -0.03 C HETATM 729 H54 ALA A 72 17.499 18.360 -11.677 1.00 0.03 H HETATM 730 H55 ALA A 72 15.720 18.112 -11.692 1.00 0.03 H HETATM 731 H56 ALA A 72 16.429 19.479 -10.767 1.00 0.03 H HETATM 732 H52 ALA A 72 17.216 20.499 -12.896 1.00 0.06 H HETATM 733 H51 ALA A 72 14.952 21.020 -11.967 1.00 0.08 H HETATM 734 H50 ALA A 72 14.162 18.584 -13.391 1.00 0.19 H HETATM 735 CB ALA A 72 10.544 18.889 -11.751 1.00 0.00 C HETATM 736 CG ALA A 72 9.417 17.956 -12.133 1.00 0.04 C HETATM 737 CD ALA A 72 8.171 18.042 -11.265 1.00 0.17 C HETATM 738 OE1 ALA A 72 8.166 18.623 -10.169 1.00 -0.40 O HETATM 739 NE2 ALA A 72 7.111 17.442 -11.753 1.00 -0.30 N HETATM 740 H48 ALA A 72 6.251 17.453 -11.243 1.00 0.18 H HETATM 741 H49 ALA A 72 7.163 16.974 -12.635 1.00 0.18 H HETATM 742 H46 ALA A 72 9.797 16.925 -12.078 1.00 0.05 H HETATM 743 H47 ALA A 72 9.125 18.184 -13.168 1.00 0.05 H HETATM 744 H44 ALA A 72 10.199 19.931 -11.826 1.00 0.03 H HETATM 745 H45 ALA A 72 10.858 18.680 -10.718 1.00 0.03 H HETATM 746 H43 ALA A 72 11.352 18.747 -13.729 1.00 0.08 H HETATM 747 H42 ALA A 72 12.253 16.706 -13.307 1.00 0.19 H HETATM 748 H40 ALA A 72 13.564 15.148 -12.354 1.00 0.08 H HETATM 749 H41 ALA A 72 14.087 15.660 -9.493 1.00 0.19 H HETATM 750 CB ALA A 72 17.147 15.539 -9.482 1.00 0.09 C HETATM 751 OG1 ALA A 72 17.860 15.605 -10.730 1.00 -0.39 O HETATM 752 H24 ALA A 72 18.376 14.815 -10.841 1.00 0.21 H HETATM 753 CG2 ALA A 72 18.160 15.431 -8.355 1.00 -0.03 C HETATM 754 H25 ALA A 72 18.827 16.305 -8.377 1.00 0.03 H HETATM 755 H26 ALA A 72 18.753 14.514 -8.482 1.00 0.03 H HETATM 756 H27 ALA A 72 17.633 15.396 -7.390 1.00 0.03 H HETATM 757 H23 ALA A 72 16.551 16.455 -9.353 1.00 0.06 H HETATM 758 H22 ALA A 72 15.644 14.329 -8.513 1.00 0.08 H HETATM 759 H21 ALA A 72 17.405 12.817 -10.378 1.00 0.19 H HETATM 760 CB ALA A 72 17.021 9.711 -8.439 1.00 -0.01 C HETATM 761 CG ALA A 72 17.783 8.453 -8.795 1.00 -0.02 C HETATM 762 CD ALA A 72 17.021 7.207 -8.391 1.00 0.06 C HETATM 763 NE ALA A 72 16.710 7.225 -6.969 1.00 -0.27 N HETATM 764 CZ ALA A 72 15.483 7.150 -6.470 1.00 0.29 C HETATM 765 NH1 ALA A 72 14.431 7.026 -7.274 1.00 -0.28 N HETATM 766 H17 ALA A 72 13.483 6.969 -6.876 1.00 0.26 H HETATM 767 H18 ALA A 72 14.565 6.987 -8.295 1.00 0.26 H HETATM 768 NH2 ALA A 72 15.309 7.185 -5.157 1.00 -0.28 N HETATM 769 H19 ALA A 72 16.122 7.281 -4.532 1.00 0.26 H HETATM 770 H20 ALA A 72 14.361 7.116 -4.761 1.00 0.26 H HETATM 771 H16 ALA A 72 17.495 7.301 -6.306 1.00 0.26 H HETATM 772 H14 ALA A 72 17.635 6.322 -8.614 1.00 0.07 H HETATM 773 H15 ALA A 72 16.083 7.157 -8.964 1.00 0.07 H HETATM 774 H12 ALA A 72 18.752 8.463 -8.275 1.00 0.03 H HETATM 775 H13 ALA A 72 17.950 8.432 -9.882 1.00 0.03 H HETATM 776 H10 ALA A 72 16.103 9.752 -9.043 1.00 0.03 H HETATM 777 H11 ALA A 72 16.757 9.675 -7.372 1.00 0.03 H HETATM 778 H9 ALA A 72 18.192 10.947 -9.740 1.00 0.08 H HETATM 779 H8 ALA A 72 18.863 10.744 -6.854 1.00 0.19 H HETATM 780 CB ALA A 72 21.051 12.736 -6.247 1.00 -0.00 C HETATM 781 H5 ALA A 72 20.039 12.733 -5.816 1.00 0.03 H HETATM 782 H6 ALA A 72 21.183 13.634 -6.868 1.00 0.03 H HETATM 783 H7 ALA A 72 21.794 12.739 -5.436 1.00 0.03 H HETATM 784 H4 ALA A 72 21.127 10.610 -6.462 1.00 0.11 H HETATM 785 H1 ALA A 72 23.264 11.515 -6.950 1.00 0.20 H HETATM 786 H2 ALA A 72 22.689 12.275 -8.293 1.00 0.20 H HETATM 787 H3 ALA A 72 22.698 10.631 -8.218 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 170 169 600 CONECT 189 188 600 CONECT 229 227 601 CONECT 288 287 599 CONECT 313 312 599 CONECT 369 368 371 600 CONECT 402 401 600 CONECT 538 537 599 CONECT 565 564 599 CONECT 599 288 313 538 565 CONECT 600 170 189 369 402 CONECT 601 229 CONECT 670 671 785 786 787 CONECT 671 670 672 780 784 CONECT 672 671 673 674 CONECT 673 672 CONECT 674 672 675 779 CONECT 675 674 676 760 778 CONECT 676 675 677 678 CONECT 677 676 CONECT 678 676 679 759 CONECT 679 678 680 750 758 CONECT 680 679 681 682 CONECT 681 680 CONECT 682 680 683 749 CONECT 683 682 684 704 748 CONECT 684 683 685 702 703 CONECT 685 684 686 700 701 CONECT 686 685 687 698 699 CONECT 687 686 688 696 697 CONECT 688 687 689 695 CONECT 689 688 690 691 CONECT 690 689 CONECT 691 689 692 693 694 CONECT 692 691 CONECT 693 691 CONECT 694 691 CONECT 695 688 CONECT 696 687 CONECT 697 687 CONECT 698 686 CONECT 699 686 CONECT 700 685 CONECT 701 685 CONECT 702 684 CONECT 703 684 CONECT 704 683 705 706 CONECT 705 704 CONECT 706 704 707 747 CONECT 707 706 708 735 746 CONECT 708 707 709 710 CONECT 709 708 CONECT 710 708 711 734 CONECT 711 710 712 725 733 CONECT 712 711 713 714 CONECT 713 712 CONECT 714 712 715 724 CONECT 715 714 716 719 723 CONECT 716 715 717 718 CONECT 717 716 CONECT 718 716 CONECT 719 715 720 721 722 CONECT 720 719 CONECT 721 719 CONECT 722 719 CONECT 723 715 CONECT 724 714 CONECT 725 711 726 728 732 CONECT 726 725 727 CONECT 727 726 CONECT 728 725 729 730 731 CONECT 729 728 CONECT 730 728 CONECT 731 728 CONECT 732 725 CONECT 733 711 CONECT 734 710 CONECT 735 707 736 744 745 CONECT 736 735 737 742 743 CONECT 737 736 738 739 CONECT 738 737 CONECT 739 737 740 741 CONECT 740 739 CONECT 741 739 CONECT 742 736 CONECT 743 736 CONECT 744 735 CONECT 745 735 CONECT 746 707 CONECT 747 706 CONECT 748 683 CONECT 749 682 CONECT 750 679 751 753 757 CONECT 751 750 752 CONECT 752 751 CONECT 753 750 754 755 756 CONECT 754 753 CONECT 755 753 CONECT 756 753 CONECT 757 750 CONECT 758 679 CONECT 759 678 CONECT 760 675 761 776 777 CONECT 761 760 762 774 775 CONECT 762 761 763 772 773 CONECT 763 762 764 771 CONECT 764 763 765 768 CONECT 765 764 766 767 CONECT 766 765 CONECT 767 765 CONECT 768 764 769 770 CONECT 769 768 CONECT 770 768 CONECT 771 763 CONECT 772 762 CONECT 773 762 CONECT 774 761 CONECT 775 761 CONECT 776 760 CONECT 777 760 CONECT 778 675 CONECT 779 674 CONECT 780 671 781 782 783 CONECT 781 780 CONECT 782 780 CONECT 783 780 CONECT 784 671 CONECT 785 670 CONECT 786 670 CONECT 787 670 MASTER 0 0 0 0 0 0 0 0 786 1 134 5 END
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1n7t
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1oh4
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PDBbind
7-mer
1okw
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PDBbind
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1pip
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7-mer
1py1
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PDBbind
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1q5l
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PDBbind
7-mer
1qsc
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PDBbind
7-mer
1rzx
RCSB PDB
PDBbind
7-mer
1slg
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1sts
RCSB PDB
PDBbind
7-mer
1tze
RCSB PDB
PDBbind
7-mer
1umw
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1vwn
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2er6
RCSB PDB
PDBbind
7-mer
2joa
RCSB PDB
PDBbind
7-mer
2l7u
RCSB PDB
PDBbind
7-mer
2mip
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PDBbind
7-mer
2nmb
RCSB PDB
PDBbind
7-mer
2pem
RCSB PDB
PDBbind
7-mer
2pv1
RCSB PDB
PDBbind
7-mer
2q3z
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PDBbind
7-mer
2w6u
RCSB PDB
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7-mer
2w78
RCSB PDB
PDBbind
7-mer
2xqq
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PDBbind
7-mer
2zlf
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3dda
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PDBbind
7-mer
3ddb
RCSB PDB
PDBbind
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3fvh
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PDBbind
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3ifl
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PDBbind
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3ifo
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PDBbind
7-mer
3ifp
RCSB PDB
PDBbind
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3l81
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PDBbind
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3nzi
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3ole
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PDBbind
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3olg
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3rq7
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3rul
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3rum
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3run
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3t6r
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3upv
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PDBbind
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3uqr
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PDBbind
7-mer
3vfj
RCSB PDB
PDBbind
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3wdc
RCSB PDB
PDBbind
7-mer
3wdd
RCSB PDB
PDBbind
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3wde
RCSB PDB
PDBbind
7-mer
4aif
RCSB PDB
PDBbind
7-mer
4dfw
RCSB PDB
PDBbind
7-mer
4dvf
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7-mer
4eqf
RCSB PDB
PDBbind
7-mer
4ezw
RCSB PDB
PDBbind
7-mer
4ezx
RCSB PDB
PDBbind
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4ezy
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PDBbind
7-mer
4ezz
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4fbx
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PDBbind
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4fgx
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4gpl
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4igk
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RCSB PDB
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4x3k
RCSB PDB
PDBbind
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4y32
RCSB PDB
PDBbind
7-mer
4y3b
RCSB PDB
PDBbind
7-mer
5cs2
RCSB PDB
PDBbind
7-mer
5hjd
RCSB PDB
PDBbind
7-mer
5j5x
RCSB PDB
PDBbind
7-mer
5lyn
RCSB PDB
PDBbind
7-mer
5m63
RCSB PDB
PDBbind
7-mer
5n7g
RCSB PDB
PDBbind
7-mer
5ovc
RCSB PDB
PDBbind
7-mer
5ovp
RCSB PDB
PDBbind
7-mer
5ovv
RCSB PDB
PDBbind
7-mer
5oyd
RCSB PDB
PDBbind
7-mer
5w38
RCSB PDB
PDBbind
7-mer
5wxh
RCSB PDB
PDBbind
7-mer
5xo2
RCSB PDB
PDBbind
7-mer
5xof
RCSB PDB
PDBbind
7-mer
5y20
RCSB PDB
PDBbind
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5yyf
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PDBbind
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PDBbind
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PDBbind
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PDBbind
7-mer
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
7-mer
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PDBbind
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PDBbind
7-mer
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PDBbind
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RCSB PDB
PDBbind
7-mer
6n3e
RCSB PDB
PDBbind
7-mer
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RCSB PDB
PDBbind
7-mer
6hld
RCSB PDB
PDBbind
7-mer
6gf3
RCSB PDB
PDBbind
7-mer
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RCSB PDB
PDBbind
7-mer
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Entry Information
PDB ID
5wxg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Transcription initiation factor TFIID subunit 3
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=137uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Proc. Natl. Acad. Sci. U.S.A. Vol. 114: pp. E7245-E7254
Ligand Properties
Formula
C
3
3
H
6
2
N
1
2
O
1
2
Molecular Weight
818.919
Exact Mass
818.461
No. of atoms
119
No. of bonds
118
Polar Surface Area
418.2
LOGP Value
-5.11 (
Computed with XLOGP3
)
-4.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 35
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 0
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)[C@H](O)C)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)CCCCNC(=O)C
InChI String
InChI=1S/C33H60N12O12/c1-15(34)26(50)41-21(10-8-14-39-33(36)37)28(52)45-25(18(4)47)31(55)43-20(9-6-7-13-38-19(5)48)27(51)42-22(11-12-23(35)49)29(53)44-24(17(3)46)30(54)40-16(2)32(56)57/h15-18,20-22,24-25,46-47H,6-14,34H2,1-5H3,(H2,35,49)(H,38,48)(H,40,54)(H,41,50)(H,42,51)(H,43,55)(H,44,53)(H,45,52)(H,56,57)(H4,36,37,39)/p+2/t15-,16-,17+,18+,20-,21-,22-,24-,25-/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):
Q5VWG9
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
83860
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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