Browse entries in the PDBbind-CN Database
HEADER 5J7G_COMPLEX COMPND 5J7G_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 94 MET GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG SEQRES 2 A 94 PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY SEQRES 3 A 94 ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE SEQRES 4 A 94 TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP SEQRES 5 A 94 GLU LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU SEQRES 6 A 94 LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS SEQRES 7 A 94 GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU SEQRES 8 A 94 VAL VAL VAL HET UNN A 123 79 ATOM 1 N MET A 17 57.492 16.651 14.139 1.00 90.94 N ATOM 2 CA MET A 17 56.187 17.262 14.532 1.00 86.38 C ATOM 3 C MET A 17 56.442 18.601 15.245 1.00 84.00 C ATOM 4 O MET A 17 57.289 18.720 16.126 1.00 90.92 O ATOM 5 CB MET A 17 55.373 16.288 15.408 1.00 82.71 C ATOM 6 HN3 MET A 17 58.067 16.487 14.990 1.00 0.00 H ATOM 7 HN2 MET A 17 57.996 17.296 13.497 1.00 0.00 H ATOM 8 HN1 MET A 17 57.318 15.746 13.657 1.00 0.00 H ATOM 9 N GLN A 18 55.744 19.630 14.807 1.00 77.67 N ATOM 10 CA GLN A 18 55.797 20.919 15.465 1.00 72.33 C ATOM 11 C GLN A 18 54.671 20.941 16.500 1.00 63.85 C ATOM 12 O GLN A 18 54.672 21.769 17.441 1.00 67.81 O ATOM 13 CB GLN A 18 55.595 21.985 14.385 1.00 74.92 C ATOM 14 CG GLN A 18 55.710 23.448 14.809 1.00 69.45 C ATOM 15 CD GLN A 18 55.469 24.359 13.613 1.00 63.07 C ATOM 16 OE1 GLN A 18 54.987 25.483 13.744 1.00 53.32 O ATOM 17 NE2 GLN A 18 55.747 23.842 12.425 1.00 67.78 N ATOM 18 HE22 GLN A 18 56.154 22.888 12.356 1.00 0.00 H ATOM 19 HE21 GLN A 18 55.558 24.391 11.562 1.00 0.00 H ATOM 20 H GLN A 18 55.140 19.513 13.968 1.00 0.00 H ATOM 21 N ILE A 19 53.690 20.049 16.272 1.00 57.89 N ATOM 22 CA ILE A 19 52.531 19.845 17.145 1.00 50.53 C ATOM 23 C ILE A 19 52.627 18.406 17.726 1.00 53.81 C ATOM 24 O ILE A 19 52.512 17.385 17.011 1.00 53.53 O ATOM 25 CB ILE A 19 51.190 20.005 16.415 1.00 45.32 C ATOM 26 CG1 ILE A 19 51.107 21.321 15.615 1.00 41.16 C ATOM 27 CG2 ILE A 19 50.030 19.946 17.366 1.00 46.76 C ATOM 28 CD1 ILE A 19 51.073 22.599 16.402 1.00 40.77 C ATOM 29 H ILE A 19 53.759 19.463 15.416 1.00 0.00 H ATOM 30 N PRO A 20 52.847 18.320 19.041 1.00 51.85 N ATOM 31 CA PRO A 20 52.913 16.987 19.598 1.00 53.99 C ATOM 32 C PRO A 20 51.635 16.227 19.326 1.00 54.59 C ATOM 33 O PRO A 20 50.537 16.815 19.287 1.00 53.19 O ATOM 34 CB PRO A 20 53.095 17.227 21.115 1.00 54.68 C ATOM 35 CG PRO A 20 52.692 18.621 21.367 1.00 53.81 C ATOM 36 CD PRO A 20 52.860 19.381 20.067 1.00 51.71 C ATOM 37 N ALA A 21 51.790 14.910 19.224 1.00 58.07 N ATOM 38 CA ALA A 21 50.701 13.996 18.931 1.00 56.93 C ATOM 39 C ALA A 21 49.540 14.180 19.877 1.00 57.08 C ATOM 40 O ALA A 21 48.399 14.312 19.459 1.00 67.24 O ATOM 41 CB ALA A 21 51.201 12.555 18.955 1.00 65.14 C ATOM 42 H ALA A 21 52.742 14.514 19.361 1.00 0.00 H ATOM 43 N SER A 22 49.795 14.247 21.162 1.00 57.70 N ATOM 44 CA SER A 22 48.674 14.417 22.072 1.00 59.27 C ATOM 45 C SER A 22 47.909 15.747 21.939 1.00 54.63 C ATOM 46 O SER A 22 46.732 15.788 22.263 1.00 53.63 O ATOM 47 CB SER A 22 49.137 14.251 23.517 1.00 61.77 C ATOM 48 OG SER A 22 50.215 15.121 23.723 1.00 64.73 O ATOM 49 HG SER A 22 50.535 15.033 24.656 1.00 0.00 H ATOM 50 H SER A 22 50.770 14.181 21.519 1.00 0.00 H ATOM 51 N GLU A 23 48.558 16.826 21.509 1.00 54.74 N ATOM 52 CA GLU A 23 47.853 18.094 21.333 1.00 49.41 C ATOM 53 C GLU A 23 46.842 17.949 20.222 1.00 46.13 C ATOM 54 O GLU A 23 45.792 18.601 20.219 1.00 41.04 O ATOM 55 CB GLU A 23 48.814 19.235 21.026 1.00 48.82 C ATOM 56 CG GLU A 23 48.068 20.556 20.926 1.00 47.16 C ATOM 57 CD GLU A 23 48.949 21.782 20.946 1.00 45.52 C ATOM 58 OE1 GLU A 23 50.187 21.609 21.005 1.00 47.56 O ATOM 59 OE2 GLU A 23 48.392 22.923 20.943 1.00 41.21 O ATOM 60 H GLU A 23 49.574 16.767 21.297 1.00 0.00 H ATOM 61 N GLN A 24 47.149 17.075 19.268 1.00 45.37 N ATOM 62 CA GLN A 24 46.198 16.795 18.220 1.00 44.86 C ATOM 63 C GLN A 24 44.928 16.143 18.668 1.00 45.16 C ATOM 64 O GLN A 24 43.894 16.347 18.017 1.00 43.85 O ATOM 65 CB GLN A 24 46.825 15.937 17.137 1.00 51.72 C ATOM 66 CG GLN A 24 47.913 16.696 16.398 1.00 58.27 C ATOM 67 CD GLN A 24 48.505 15.899 15.257 1.00 64.27 C ATOM 68 OE1 GLN A 24 47.779 15.274 14.474 1.00 61.75 O ATOM 69 NE2 GLN A 24 49.836 15.900 15.172 1.00 69.96 N ATOM 70 HE22 GLN A 24 50.400 16.443 15.856 1.00 0.00 H ATOM 71 HE21 GLN A 24 50.310 15.358 14.421 1.00 0.00 H ATOM 72 H GLN A 24 48.072 16.595 19.277 1.00 0.00 H ATOM 73 N GLU A 25 44.990 15.312 19.724 1.00 43.15 N ATOM 74 CA GLU A 25 43.776 14.689 20.271 1.00 45.27 C ATOM 75 C GLU A 25 42.967 15.615 21.233 1.00 45.77 C ATOM 76 O GLU A 25 41.889 15.265 21.647 1.00 47.61 O ATOM 77 CB GLU A 25 44.138 13.311 20.907 1.00 50.39 C ATOM 78 CG GLU A 25 45.080 12.457 20.046 1.00 52.17 C ATOM 79 H GLU A 25 45.911 15.107 20.160 1.00 0.00 H ATOM 80 N THR A 26 43.435 16.840 21.514 1.00 47.01 N ATOM 81 CA THR A 26 42.738 17.759 22.433 1.00 45.79 C ATOM 82 C THR A 26 41.280 17.889 22.048 1.00 46.58 C ATOM 83 O THR A 26 40.975 18.161 20.901 1.00 45.51 O ATOM 84 CB THR A 26 43.369 19.155 22.339 1.00 45.32 C ATOM 85 OG1 THR A 26 44.761 19.023 22.607 1.00 50.29 O ATOM 86 CG2 THR A 26 42.767 20.127 23.291 1.00 47.92 C ATOM 87 HG1 THR A 26 45.168 18.416 21.939 1.00 0.00 H ATOM 88 H THR A 26 44.321 17.153 21.068 1.00 0.00 H ATOM 89 N LEU A 27 40.379 17.728 23.005 1.00 42.53 N ATOM 90 CA LEU A 27 38.939 17.832 22.753 1.00 44.70 C ATOM 91 C LEU A 27 38.548 19.269 22.785 1.00 44.32 C ATOM 92 O LEU A 27 38.862 19.970 23.771 1.00 44.57 O ATOM 93 CB LEU A 27 38.095 17.108 23.814 1.00 47.36 C ATOM 94 CG LEU A 27 37.730 15.648 23.621 1.00 53.33 C ATOM 95 CD1 LEU A 27 36.611 15.277 24.615 1.00 57.33 C ATOM 96 CD2 LEU A 27 37.312 15.367 22.185 1.00 49.73 C ATOM 97 H LEU A 27 40.705 17.520 23.970 1.00 0.00 H ATOM 98 N VAL A 28 37.821 19.716 21.763 1.00 44.51 N ATOM 99 CA VAL A 28 37.486 21.123 21.647 1.00 41.62 C ATOM 100 C VAL A 28 36.029 21.343 21.208 1.00 44.19 C ATOM 101 O VAL A 28 35.388 20.477 20.570 1.00 40.52 O ATOM 102 CB VAL A 28 38.470 21.859 20.733 1.00 43.13 C ATOM 103 CG1 VAL A 28 39.882 21.832 21.333 1.00 42.90 C ATOM 104 CG2 VAL A 28 38.464 21.279 19.300 1.00 42.04 C ATOM 105 H VAL A 28 37.489 19.048 21.038 1.00 0.00 H ATOM 106 N ARG A 29 35.513 22.517 21.572 1.00 42.28 N ATOM 107 CA ARG A 29 34.166 22.896 21.221 1.00 44.73 C ATOM 108 C ARG A 29 34.198 24.155 20.402 1.00 43.02 C ATOM 109 O ARG A 29 34.424 25.239 20.953 1.00 42.27 O ATOM 110 CB ARG A 29 33.328 23.089 22.504 1.00 48.71 C ATOM 111 CG ARG A 29 31.856 23.163 22.214 1.00 53.00 C ATOM 112 CD ARG A 29 31.004 23.456 23.452 1.00 53.61 C ATOM 113 NE ARG A 29 31.419 22.667 24.593 1.00 54.74 N ATOM 114 CZ ARG A 29 31.070 21.404 24.777 1.00 59.28 C ATOM 115 NH1 ARG A 29 30.311 20.801 23.878 1.00 61.18 N ATOM 116 NH2 ARG A 29 31.455 20.746 25.866 1.00 61.87 N ATOM 117 HE ARG A 29 32.025 23.118 25.308 1.00 0.00 H ATOM 118 HH12 ARG A 29 30.032 19.808 24.015 1.00 0.00 H ATOM 119 HH11 ARG A 29 29.993 21.319 23.034 1.00 0.00 H ATOM 120 HH22 ARG A 29 31.175 19.753 26.000 1.00 0.00 H ATOM 121 HH21 ARG A 29 32.036 21.224 26.584 1.00 0.00 H ATOM 122 H ARG A 29 36.097 23.177 22.124 1.00 0.00 H ATOM 123 N PRO A 30 34.033 24.025 19.062 1.00 43.85 N ATOM 124 CA PRO A 30 34.043 25.231 18.195 1.00 44.66 C ATOM 125 C PRO A 30 32.994 26.265 18.600 1.00 44.08 C ATOM 126 O PRO A 30 31.875 25.904 18.954 1.00 44.54 O ATOM 127 CB PRO A 30 33.775 24.676 16.798 1.00 44.34 C ATOM 128 CG PRO A 30 34.327 23.276 16.845 1.00 44.48 C ATOM 129 CD PRO A 30 34.082 22.788 18.262 1.00 44.62 C ATOM 130 N LYS A 31 33.409 27.521 18.615 1.00 42.51 N ATOM 131 CA LYS A 31 32.500 28.637 18.692 1.00 45.72 C ATOM 132 C LYS A 31 31.543 28.684 17.472 1.00 47.83 C ATOM 133 O LYS A 31 31.792 28.053 16.452 1.00 47.38 O ATOM 134 CB LYS A 31 33.302 29.942 18.837 1.00 47.00 C ATOM 135 CG LYS A 31 33.973 30.105 20.228 1.00 50.99 C ATOM 136 CD LYS A 31 34.631 31.488 20.344 1.00 55.26 C ATOM 137 CE LYS A 31 35.770 31.555 21.354 1.00 56.37 C ATOM 138 NZ LYS A 31 35.220 31.618 22.710 1.00 63.50 N ATOM 139 HZ1 LYS A 31 34.625 32.466 22.802 1.00 0.00 H ATOM 140 HZ2 LYS A 31 34.647 30.769 22.890 1.00 0.00 H ATOM 141 HZ3 LYS A 31 35.999 31.664 23.397 1.00 0.00 H ATOM 142 H LYS A 31 34.431 27.711 18.569 1.00 0.00 H ATOM 143 N PRO A 32 30.443 29.429 17.575 1.00 51.47 N ATOM 144 CA PRO A 32 29.411 29.401 16.505 1.00 53.87 C ATOM 145 C PRO A 32 29.950 29.587 15.083 1.00 51.28 C ATOM 146 O PRO A 32 29.570 28.851 14.203 1.00 51.33 O ATOM 147 CB PRO A 32 28.483 30.573 16.869 1.00 54.95 C ATOM 148 CG PRO A 32 28.619 30.687 18.359 1.00 56.12 C ATOM 149 CD PRO A 32 30.011 30.230 18.746 1.00 54.00 C ATOM 150 N LEU A 33 30.828 30.550 14.855 1.00 52.87 N ATOM 151 CA LEU A 33 31.259 30.826 13.472 1.00 52.73 C ATOM 152 C LEU A 33 32.088 29.692 12.895 1.00 48.97 C ATOM 153 O LEU A 33 31.891 29.281 11.743 1.00 45.42 O ATOM 154 CB LEU A 33 32.030 32.128 13.407 1.00 54.96 C ATOM 155 CG LEU A 33 31.197 33.384 13.113 1.00 65.40 C ATOM 156 CD1 LEU A 33 29.807 33.376 13.757 1.00 70.75 C ATOM 157 CD2 LEU A 33 31.997 34.623 13.525 1.00 68.57 C ATOM 158 H LEU A 33 31.211 31.108 15.645 1.00 0.00 H ATOM 159 N LEU A 34 33.028 29.193 13.697 1.00 43.44 N ATOM 160 CA LEU A 34 33.864 28.103 13.264 1.00 42.18 C ATOM 161 C LEU A 34 33.001 26.861 13.089 1.00 42.90 C ATOM 162 O LEU A 34 33.235 26.034 12.213 1.00 39.96 O ATOM 163 CB LEU A 34 35.021 27.865 14.235 1.00 40.39 C ATOM 164 CG LEU A 34 35.724 26.523 13.975 1.00 39.46 C ATOM 165 CD1 LEU A 34 36.362 26.457 12.596 1.00 39.47 C ATOM 166 CD2 LEU A 34 36.811 26.253 15.020 1.00 38.80 C ATOM 167 H LEU A 34 33.160 29.595 14.647 1.00 0.00 H ATOM 168 N LEU A 35 31.982 26.723 13.908 1.00 42.51 N ATOM 169 CA LEU A 35 31.123 25.548 13.787 1.00 46.89 C ATOM 170 C LEU A 35 30.248 25.625 12.522 1.00 49.12 C ATOM 171 O LEU A 35 30.051 24.603 11.837 1.00 48.93 O ATOM 172 CB LEU A 35 30.228 25.390 15.021 1.00 50.67 C ATOM 173 CG LEU A 35 29.973 23.982 15.561 1.00 52.47 C ATOM 174 CD1 LEU A 35 28.601 23.962 16.260 1.00 58.63 C ATOM 175 CD2 LEU A 35 30.105 22.840 14.575 1.00 52.83 C ATOM 176 H LEU A 35 31.790 27.442 14.634 1.00 0.00 H ATOM 177 N LYS A 36 29.752 26.821 12.192 1.00 51.67 N ATOM 178 CA LYS A 36 29.042 27.051 10.890 1.00 54.21 C ATOM 179 C LYS A 36 29.954 26.580 9.752 1.00 51.56 C ATOM 180 O LYS A 36 29.551 25.807 8.857 1.00 48.47 O ATOM 181 CB LYS A 36 28.741 28.540 10.685 1.00 56.20 C ATOM 182 CG LYS A 36 27.605 28.865 9.690 1.00 57.16 C ATOM 183 H LYS A 36 29.861 27.614 12.856 1.00 0.00 H ATOM 184 N LEU A 37 31.209 27.024 9.804 1.00 47.44 N ATOM 185 CA LEU A 37 32.143 26.713 8.737 1.00 45.23 C ATOM 186 C LEU A 37 32.344 25.188 8.665 1.00 44.36 C ATOM 187 O LEU A 37 32.196 24.614 7.589 1.00 44.01 O ATOM 188 CB LEU A 37 33.411 27.566 8.911 1.00 43.70 C ATOM 189 CG LEU A 37 34.852 27.217 8.584 1.00 45.71 C ATOM 190 CD1 LEU A 37 35.107 25.881 7.869 1.00 45.63 C ATOM 191 CD2 LEU A 37 35.553 28.381 7.915 1.00 44.73 C ATOM 192 H LEU A 37 31.521 27.597 10.614 1.00 0.00 H ATOM 193 N LEU A 38 32.586 24.519 9.797 1.00 42.29 N ATOM 194 CA LEU A 38 32.808 23.069 9.773 1.00 41.78 C ATOM 195 C LEU A 38 31.594 22.336 9.264 1.00 47.88 C ATOM 196 O LEU A 38 31.732 21.359 8.505 1.00 44.45 O ATOM 197 CB LEU A 38 33.179 22.475 11.139 1.00 45.04 C ATOM 198 CG LEU A 38 34.330 23.057 11.952 1.00 43.47 C ATOM 199 CD1 LEU A 38 34.515 22.256 13.207 1.00 44.59 C ATOM 200 CD2 LEU A 38 35.630 23.127 11.200 1.00 44.49 C ATOM 201 H LEU A 38 32.617 25.031 10.702 1.00 0.00 H ATOM 202 N LYS A 39 30.405 22.795 9.681 1.00 50.00 N ATOM 203 CA LYS A 39 29.158 22.203 9.208 1.00 53.77 C ATOM 204 C LYS A 39 28.929 22.346 7.720 1.00 53.10 C ATOM 205 O LYS A 39 28.314 21.480 7.113 1.00 53.59 O ATOM 206 CB LYS A 39 27.967 22.806 9.955 1.00 59.75 C ATOM 207 CG LYS A 39 27.868 22.316 11.397 1.00 65.57 C ATOM 208 CD LYS A 39 26.462 21.882 11.788 1.00 69.80 C ATOM 209 CE LYS A 39 26.322 21.734 13.297 1.00 74.80 C ATOM 210 NZ LYS A 39 25.534 22.858 13.894 1.00 76.06 N ATOM 211 HZ1 LYS A 39 26.014 23.759 13.696 1.00 0.00 H ATOM 212 HZ2 LYS A 39 24.582 22.872 13.477 1.00 0.00 H ATOM 213 HZ3 LYS A 39 25.461 22.721 14.922 1.00 0.00 H ATOM 214 H LYS A 39 30.371 23.587 10.354 1.00 0.00 H ATOM 215 N SER A 40 29.440 23.429 7.132 1.00 51.50 N ATOM 216 CA SER A 40 29.345 23.675 5.709 1.00 54.11 C ATOM 217 C SER A 40 30.159 22.675 4.863 1.00 55.69 C ATOM 218 O SER A 40 29.947 22.582 3.657 1.00 55.94 O ATOM 219 CB SER A 40 29.762 25.132 5.353 1.00 52.42 C ATOM 220 OG SER A 40 31.177 25.294 5.238 1.00 50.70 O ATOM 221 HG SER A 40 31.606 25.059 6.099 1.00 0.00 H ATOM 222 H SER A 40 29.930 24.130 7.724 1.00 0.00 H ATOM 223 N VAL A 41 31.059 21.915 5.470 1.00 48.55 N ATOM 224 CA VAL A 41 31.731 20.885 4.714 1.00 48.79 C ATOM 225 C VAL A 41 31.400 19.555 5.358 1.00 51.97 C ATOM 226 O VAL A 41 32.175 18.636 5.312 1.00 56.24 O ATOM 227 CB VAL A 41 33.260 21.124 4.610 1.00 46.17 C ATOM 228 CG1 VAL A 41 33.566 22.354 3.772 1.00 45.80 C ATOM 229 CG2 VAL A 41 33.883 21.272 5.977 1.00 43.79 C ATOM 230 H VAL A 41 31.278 22.059 6.476 1.00 0.00 H ATOM 231 N GLY A 42 30.240 19.460 5.982 1.00 50.65 N ATOM 232 CA GLY A 42 29.701 18.183 6.396 1.00 54.18 C ATOM 233 C GLY A 42 29.823 17.832 7.855 1.00 54.77 C ATOM 234 O GLY A 42 29.454 16.752 8.224 1.00 57.16 O ATOM 235 H GLY A 42 29.700 20.326 6.181 1.00 0.00 H ATOM 236 N ALA A 43 30.368 18.706 8.694 1.00 57.08 N ATOM 237 CA ALA A 43 30.557 18.303 10.100 1.00 60.43 C ATOM 238 C ALA A 43 29.198 18.113 10.797 1.00 63.09 C ATOM 239 O ALA A 43 28.332 18.994 10.755 1.00 61.70 O ATOM 240 CB ALA A 43 31.438 19.281 10.858 1.00 57.85 C ATOM 241 H ALA A 43 30.654 19.651 8.367 1.00 0.00 H ATOM 242 N GLN A 44 29.057 16.947 11.423 1.00 67.34 N ATOM 243 CA GLN A 44 27.849 16.524 12.108 1.00 74.64 C ATOM 244 C GLN A 44 27.824 16.920 13.609 1.00 74.01 C ATOM 245 O GLN A 44 26.796 17.340 14.092 1.00 77.21 O ATOM 246 CB GLN A 44 27.711 15.007 11.952 1.00 76.58 C ATOM 247 H GLN A 44 29.867 16.295 11.421 1.00 0.00 H ATOM 248 N LYS A 45 28.957 16.813 14.312 1.00 69.70 N ATOM 249 CA LYS A 45 29.035 16.947 15.783 1.00 68.99 C ATOM 250 C LYS A 45 29.112 18.425 16.252 1.00 67.21 C ATOM 251 O LYS A 45 29.166 19.360 15.434 1.00 60.18 O ATOM 252 CB LYS A 45 30.275 16.206 16.333 1.00 67.04 C ATOM 253 CG LYS A 45 30.479 14.781 15.849 1.00 66.62 C ATOM 254 H LYS A 45 29.838 16.624 13.792 1.00 0.00 H ATOM 255 N ASP A 46 29.108 18.618 17.575 1.00 59.93 N ATOM 256 CA ASP A 46 29.371 19.937 18.169 1.00 59.78 C ATOM 257 C ASP A 46 30.728 19.990 18.949 1.00 56.40 C ATOM 258 O ASP A 46 31.222 21.086 19.270 1.00 52.64 O ATOM 259 CB ASP A 46 28.157 20.408 19.053 1.00 63.10 C ATOM 260 CG ASP A 46 26.836 20.613 18.230 1.00 59.73 C ATOM 261 H ASP A 46 28.913 17.812 18.202 1.00 0.00 H ATOM 262 N THR A 47 31.311 18.827 19.281 1.00 56.20 N ATOM 263 CA THR A 47 32.709 18.763 19.809 1.00 55.39 C ATOM 264 C THR A 47 33.578 17.784 19.015 1.00 52.67 C ATOM 265 O THR A 47 33.066 16.809 18.465 1.00 55.76 O ATOM 266 CB THR A 47 32.815 18.353 21.278 1.00 59.77 C ATOM 267 OG1 THR A 47 32.906 16.935 21.367 1.00 67.46 O ATOM 268 CG2 THR A 47 31.629 18.836 22.081 1.00 60.77 C ATOM 269 HG1 THR A 47 33.709 16.626 20.878 1.00 0.00 H ATOM 270 H THR A 47 30.774 17.944 19.168 1.00 0.00 H ATOM 271 N TYR A 48 34.886 18.063 19.003 1.00 47.52 N ATOM 272 CA TYR A 48 35.856 17.450 18.085 1.00 47.38 C ATOM 273 C TYR A 48 37.234 17.360 18.723 1.00 43.57 C ATOM 274 O TYR A 48 37.578 18.104 19.648 1.00 43.61 O ATOM 275 CB TYR A 48 36.035 18.366 16.851 1.00 44.66 C ATOM 276 CG TYR A 48 34.772 18.584 16.065 1.00 49.04 C ATOM 277 CD1 TYR A 48 33.967 19.684 16.316 1.00 50.96 C ATOM 278 CD2 TYR A 48 34.370 17.680 15.079 1.00 53.46 C ATOM 279 CE1 TYR A 48 32.786 19.875 15.629 1.00 57.36 C ATOM 280 CE2 TYR A 48 33.199 17.872 14.365 1.00 56.45 C ATOM 281 CZ TYR A 48 32.413 18.980 14.634 1.00 59.14 C ATOM 282 OH TYR A 48 31.235 19.214 13.923 1.00 67.17 O ATOM 283 HH TYR A 48 30.812 20.046 14.252 1.00 0.00 H ATOM 284 H TYR A 48 35.240 18.760 19.689 1.00 0.00 H ATOM 285 N THR A 49 38.073 16.493 18.206 1.00 44.33 N ATOM 286 CA THR A 49 39.510 16.645 18.460 1.00 41.53 C ATOM 287 C THR A 49 40.038 17.768 17.510 1.00 42.13 C ATOM 288 O THR A 49 39.466 18.035 16.469 1.00 39.49 O ATOM 289 CB THR A 49 40.251 15.383 18.109 1.00 43.99 C ATOM 290 OG1 THR A 49 39.949 15.036 16.760 1.00 46.41 O ATOM 291 CG2 THR A 49 39.827 14.255 18.987 1.00 48.59 C ATOM 292 HG1 THR A 49 40.432 14.206 16.518 1.00 0.00 H ATOM 293 H THR A 49 37.723 15.707 17.622 1.00 0.00 H ATOM 294 N MET A 50 41.159 18.351 17.882 1.00 39.21 N ATOM 295 CA MET A 50 41.852 19.279 17.032 1.00 37.73 C ATOM 296 C MET A 50 42.185 18.654 15.683 1.00 37.65 C ATOM 297 O MET A 50 42.073 19.325 14.647 1.00 36.76 O ATOM 298 CB MET A 50 43.101 19.759 17.724 1.00 37.85 C ATOM 299 CG MET A 50 42.767 20.778 18.806 1.00 38.94 C ATOM 300 SD MET A 50 42.164 22.352 18.155 1.00 41.23 S ATOM 301 CE MET A 50 43.636 23.070 17.406 1.00 46.21 C ATOM 302 H MET A 50 41.554 18.133 18.819 1.00 0.00 H ATOM 303 N LYS A 51 42.529 17.367 15.657 1.00 39.41 N ATOM 304 CA LYS A 51 42.768 16.668 14.378 1.00 38.86 C ATOM 305 C LYS A 51 41.573 16.722 13.437 1.00 40.59 C ATOM 306 O LYS A 51 41.749 16.934 12.234 1.00 40.43 O ATOM 307 CB LYS A 51 43.121 15.206 14.617 1.00 40.69 C ATOM 308 CG LYS A 51 43.362 14.365 13.378 1.00 39.25 C ATOM 309 H LYS A 51 42.631 16.846 16.552 1.00 0.00 H ATOM 310 N GLU A 52 40.375 16.455 13.971 1.00 40.87 N ATOM 311 CA GLU A 52 39.166 16.533 13.200 1.00 39.84 C ATOM 312 C GLU A 52 38.893 17.955 12.783 1.00 38.43 C ATOM 313 O GLU A 52 38.373 18.162 11.724 1.00 36.55 O ATOM 314 CB GLU A 52 37.955 16.030 13.973 1.00 47.91 C ATOM 315 CG GLU A 52 37.984 14.551 14.271 1.00 51.07 C ATOM 316 CD GLU A 52 36.899 14.075 15.276 1.00 58.87 C ATOM 317 OE1 GLU A 52 36.650 14.705 16.347 1.00 56.18 O ATOM 318 OE2 GLU A 52 36.314 12.996 15.015 1.00 59.53 O ATOM 319 H GLU A 52 40.318 16.183 14.973 1.00 0.00 H ATOM 320 N VAL A 53 39.192 18.940 13.604 1.00 36.06 N ATOM 321 CA VAL A 53 38.868 20.295 13.195 1.00 33.19 C ATOM 322 C VAL A 53 39.787 20.657 11.963 1.00 36.36 C ATOM 323 O VAL A 53 39.334 21.237 10.984 1.00 37.57 O ATOM 324 CB VAL A 53 39.067 21.253 14.327 1.00 34.39 C ATOM 325 CG1 VAL A 53 39.003 22.669 13.820 1.00 33.39 C ATOM 326 CG2 VAL A 53 37.994 21.037 15.394 1.00 35.85 C ATOM 327 H VAL A 53 39.648 18.753 14.520 1.00 0.00 H ATOM 328 N LEU A 54 41.066 20.297 12.039 1.00 33.05 N ATOM 329 CA LEU A 54 41.981 20.526 10.991 1.00 34.99 C ATOM 330 C LEU A 54 41.569 19.816 9.727 1.00 35.75 C ATOM 331 O LEU A 54 41.647 20.374 8.614 1.00 33.17 O ATOM 332 CB LEU A 54 43.364 20.011 11.370 1.00 35.12 C ATOM 333 CG LEU A 54 44.046 21.035 12.215 1.00 41.83 C ATOM 334 CD1 LEU A 54 45.204 20.306 12.857 1.00 50.84 C ATOM 335 CD2 LEU A 54 44.480 22.255 11.403 1.00 39.78 C ATOM 336 H LEU A 54 41.403 19.829 12.904 1.00 0.00 H ATOM 337 N PHE A 55 41.206 18.551 9.847 1.00 35.74 N ATOM 338 CA PHE A 55 40.715 17.911 8.673 1.00 37.46 C ATOM 339 C PHE A 55 39.599 18.697 7.920 1.00 38.26 C ATOM 340 O PHE A 55 39.628 18.839 6.695 1.00 34.32 O ATOM 341 CB PHE A 55 40.150 16.554 9.024 1.00 41.83 C ATOM 342 CG PHE A 55 39.546 15.851 7.856 1.00 46.53 C ATOM 343 CD1 PHE A 55 40.353 15.236 6.933 1.00 48.24 C ATOM 344 CD2 PHE A 55 38.174 15.749 7.725 1.00 50.53 C ATOM 345 CE1 PHE A 55 39.805 14.578 5.855 1.00 52.36 C ATOM 346 CE2 PHE A 55 37.614 15.091 6.649 1.00 54.87 C ATOM 347 CZ PHE A 55 38.437 14.495 5.718 1.00 53.95 C ATOM 348 H PHE A 55 41.275 18.047 10.754 1.00 0.00 H ATOM 349 N TYR A 56 38.598 19.166 8.661 1.00 35.20 N ATOM 350 CA TYR A 56 37.446 19.817 8.059 1.00 36.45 C ATOM 351 C TYR A 56 37.879 21.174 7.508 1.00 36.46 C ATOM 352 O TYR A 56 37.378 21.645 6.501 1.00 35.67 O ATOM 353 CB TYR A 56 36.316 19.974 9.095 1.00 37.40 C ATOM 354 CG TYR A 56 35.543 18.716 9.281 1.00 42.22 C ATOM 355 CD1 TYR A 56 34.821 18.165 8.225 1.00 47.29 C ATOM 356 CD2 TYR A 56 35.551 18.048 10.486 1.00 49.44 C ATOM 357 CE1 TYR A 56 34.101 16.983 8.385 1.00 51.49 C ATOM 358 CE2 TYR A 56 34.841 16.870 10.656 1.00 52.57 C ATOM 359 CZ TYR A 56 34.123 16.344 9.603 1.00 53.14 C ATOM 360 OH TYR A 56 33.413 15.171 9.797 1.00 59.07 O ATOM 361 HH TYR A 56 32.953 14.922 8.956 1.00 0.00 H ATOM 362 H TYR A 56 38.641 19.064 9.695 1.00 0.00 H ATOM 363 N LEU A 57 38.799 21.813 8.195 1.00 35.15 N ATOM 364 CA LEU A 57 39.312 23.073 7.659 1.00 34.00 C ATOM 365 C LEU A 57 40.067 22.841 6.355 1.00 32.83 C ATOM 366 O LEU A 57 39.920 23.620 5.422 1.00 31.09 O ATOM 367 CB LEU A 57 40.181 23.761 8.678 1.00 34.43 C ATOM 368 CG LEU A 57 39.427 24.489 9.831 1.00 35.45 C ATOM 369 CD1 LEU A 57 40.357 24.869 10.949 1.00 36.22 C ATOM 370 CD2 LEU A 57 38.778 25.728 9.352 1.00 38.63 C ATOM 371 H LEU A 57 39.153 21.433 9.096 1.00 0.00 H ATOM 372 N GLY A 58 40.825 21.737 6.272 1.00 34.26 N ATOM 373 CA GLY A 58 41.537 21.341 5.085 1.00 33.52 C ATOM 374 C GLY A 58 40.587 21.150 3.934 1.00 40.16 C ATOM 375 O GLY A 58 40.877 21.533 2.814 1.00 36.55 O ATOM 376 H GLY A 58 40.903 21.132 7.114 1.00 0.00 H ATOM 377 N GLN A 59 39.438 20.556 4.204 1.00 40.27 N ATOM 378 CA GLN A 59 38.499 20.347 3.151 1.00 41.78 C ATOM 379 C GLN A 59 37.848 21.628 2.769 1.00 41.92 C ATOM 380 O GLN A 59 37.522 21.824 1.628 1.00 41.63 O ATOM 381 CB GLN A 59 37.402 19.476 3.580 1.00 46.08 C ATOM 382 CG GLN A 59 37.756 18.035 3.546 1.00 50.79 C ATOM 383 CD GLN A 59 36.521 17.307 3.821 1.00 52.24 C ATOM 384 OE1 GLN A 59 36.011 17.361 4.940 1.00 61.98 O ATOM 385 NE2 GLN A 59 35.950 16.724 2.798 1.00 53.30 N ATOM 386 HE22 GLN A 59 36.428 16.709 1.875 1.00 0.00 H ATOM 387 HE21 GLN A 59 35.018 16.276 2.908 1.00 0.00 H ATOM 388 H GLN A 59 39.221 20.245 5.172 1.00 0.00 H ATOM 389 N TYR A 60 37.603 22.475 3.743 1.00 38.25 N ATOM 390 CA TYR A 60 37.060 23.796 3.412 1.00 36.72 C ATOM 391 C TYR A 60 37.989 24.532 2.477 1.00 35.10 C ATOM 392 O TYR A 60 37.571 25.075 1.445 1.00 35.16 O ATOM 393 CB TYR A 60 36.816 24.591 4.666 1.00 36.46 C ATOM 394 CG TYR A 60 36.203 25.959 4.449 1.00 38.00 C ATOM 395 CD1 TYR A 60 34.814 26.158 4.411 1.00 38.15 C ATOM 396 CD2 TYR A 60 37.015 27.048 4.338 1.00 38.84 C ATOM 397 CE1 TYR A 60 34.264 27.441 4.259 1.00 39.45 C ATOM 398 CE2 TYR A 60 36.488 28.324 4.161 1.00 39.45 C ATOM 399 CZ TYR A 60 35.121 28.534 4.122 1.00 42.35 C ATOM 400 OH TYR A 60 34.683 29.878 3.972 1.00 44.09 O ATOM 401 HH TYR A 60 35.035 30.246 3.123 1.00 0.00 H ATOM 402 H TYR A 60 37.791 22.213 4.732 1.00 0.00 H ATOM 403 N ILE A 61 39.262 24.554 2.822 1.00 29.56 N ATOM 404 CA ILE A 61 40.213 25.302 2.049 1.00 30.65 C ATOM 405 C ILE A 61 40.312 24.705 0.655 1.00 30.84 C ATOM 406 O ILE A 61 40.433 25.401 -0.343 1.00 29.55 O ATOM 407 CB ILE A 61 41.564 25.246 2.785 1.00 30.36 C ATOM 408 CG1 ILE A 61 41.483 26.046 4.078 1.00 28.99 C ATOM 409 CG2 ILE A 61 42.724 25.596 1.882 1.00 33.05 C ATOM 410 CD1 ILE A 61 42.685 25.782 4.985 1.00 28.49 C ATOM 411 H ILE A 61 39.579 24.026 3.660 1.00 0.00 H ATOM 412 N MET A 62 40.282 23.382 0.554 1.00 31.86 N ATOM 413 CA MET A 62 40.412 22.802 -0.769 1.00 33.37 C ATOM 414 C MET A 62 39.162 23.017 -1.609 1.00 35.76 C ATOM 415 O MET A 62 39.257 23.352 -2.769 1.00 35.67 O ATOM 416 CB MET A 62 40.776 21.302 -0.674 1.00 38.51 C ATOM 417 CG MET A 62 41.448 20.692 -1.946 1.00 41.75 C ATOM 418 SD MET A 62 41.806 18.909 -1.638 1.00 65.88 S ATOM 419 CE MET A 62 42.814 18.868 -0.115 1.00 52.53 C ATOM 420 H MET A 62 40.169 22.781 1.395 1.00 0.00 H ATOM 421 N THR A 63 37.982 22.820 -1.054 1.00 35.07 N ATOM 422 CA THR A 63 36.743 23.028 -1.807 1.00 37.58 C ATOM 423 C THR A 63 36.491 24.449 -2.296 1.00 38.78 C ATOM 424 O THR A 63 36.058 24.668 -3.390 1.00 39.29 O ATOM 425 CB THR A 63 35.550 22.597 -0.969 1.00 41.59 C ATOM 426 OG1 THR A 63 35.818 21.242 -0.563 1.00 50.95 O ATOM 427 CG2 THR A 63 34.319 22.556 -1.828 1.00 43.36 C ATOM 428 HG1 THR A 63 36.655 21.216 -0.034 1.00 0.00 H ATOM 429 H THR A 63 37.930 22.511 -0.062 1.00 0.00 H ATOM 430 N LYS A 64 36.774 25.408 -1.463 1.00 37.37 N ATOM 431 CA LYS A 64 36.725 26.792 -1.865 1.00 39.83 C ATOM 432 C LYS A 64 37.976 27.251 -2.611 1.00 39.39 C ATOM 433 O LYS A 64 38.095 28.411 -2.942 1.00 42.60 O ATOM 434 CB LYS A 64 36.557 27.582 -0.618 1.00 40.92 C ATOM 435 CG LYS A 64 35.191 27.407 0.020 1.00 50.11 C ATOM 436 CD LYS A 64 34.833 28.702 0.765 1.00 59.29 C ATOM 437 CE LYS A 64 33.383 29.135 0.645 1.00 62.05 C ATOM 438 NZ LYS A 64 33.306 30.564 1.064 1.00 60.69 N ATOM 439 HZ1 LYS A 64 33.633 30.654 2.047 1.00 0.00 H ATOM 440 HZ2 LYS A 64 33.910 31.139 0.443 1.00 0.00 H ATOM 441 HZ3 LYS A 64 32.322 30.892 0.993 1.00 0.00 H ATOM 442 H LYS A 64 37.041 25.171 -0.486 1.00 0.00 H ATOM 443 N ARG A 65 38.959 26.367 -2.786 1.00 40.93 N ATOM 444 CA ARG A 65 40.147 26.690 -3.522 1.00 39.98 C ATOM 445 C ARG A 65 40.795 27.945 -2.990 1.00 37.70 C ATOM 446 O ARG A 65 41.119 28.866 -3.728 1.00 34.62 O ATOM 447 CB ARG A 65 39.824 26.855 -5.043 1.00 46.35 C ATOM 448 CG ARG A 65 39.452 25.553 -5.748 1.00 46.41 C ATOM 449 CD ARG A 65 38.465 25.773 -6.866 1.00 50.52 C ATOM 450 NE ARG A 65 38.744 24.950 -8.036 1.00 51.84 N ATOM 451 CZ ARG A 65 37.789 24.370 -8.743 1.00 56.30 C ATOM 452 NH1 ARG A 65 36.531 24.495 -8.354 1.00 58.36 N ATOM 453 NH2 ARG A 65 38.082 23.655 -9.814 1.00 59.04 N ATOM 454 HE ARG A 65 39.733 24.814 -8.326 1.00 0.00 H ATOM 455 HH12 ARG A 65 35.770 24.044 -8.901 1.00 0.00 H ATOM 456 HH11 ARG A 65 36.303 25.044 -7.501 1.00 0.00 H ATOM 457 HH22 ARG A 65 37.322 23.204 -10.362 1.00 0.00 H ATOM 458 HH21 ARG A 65 39.073 23.543 -10.110 1.00 0.00 H ATOM 459 H ARG A 65 38.861 25.416 -2.377 1.00 0.00 H ATOM 460 N LEU A 66 41.057 27.984 -1.703 1.00 34.86 N ATOM 461 CA LEU A 66 41.663 29.159 -1.119 1.00 35.08 C ATOM 462 C LEU A 66 43.180 29.049 -1.250 1.00 34.07 C ATOM 463 O LEU A 66 43.914 30.018 -1.098 1.00 34.51 O ATOM 464 CB LEU A 66 41.266 29.317 0.349 1.00 34.88 C ATOM 465 CG LEU A 66 39.774 29.452 0.621 1.00 37.22 C ATOM 466 CD1 LEU A 66 39.611 29.740 2.103 1.00 39.48 C ATOM 467 CD2 LEU A 66 39.160 30.573 -0.171 1.00 37.45 C ATOM 468 H LEU A 66 40.828 27.167 -1.102 1.00 0.00 H ATOM 469 N TYR A 67 43.669 27.876 -1.546 1.00 33.92 N ATOM 470 CA TYR A 67 45.116 27.741 -1.785 1.00 32.28 C ATOM 471 C TYR A 67 45.505 28.477 -3.075 1.00 37.47 C ATOM 472 O TYR A 67 44.732 28.568 -4.057 1.00 39.43 O ATOM 473 CB TYR A 67 45.549 26.289 -1.839 1.00 35.66 C ATOM 474 CG TYR A 67 44.900 25.511 -2.943 1.00 36.23 C ATOM 475 CD1 TYR A 67 45.488 25.455 -4.211 1.00 39.12 C ATOM 476 CD2 TYR A 67 43.680 24.924 -2.764 1.00 36.87 C ATOM 477 CE1 TYR A 67 44.896 24.786 -5.241 1.00 37.48 C ATOM 478 CE2 TYR A 67 43.091 24.220 -3.782 1.00 35.66 C ATOM 479 CZ TYR A 67 43.677 24.182 -5.005 1.00 35.12 C ATOM 480 OH TYR A 67 43.073 23.465 -5.992 1.00 36.24 O ATOM 481 HH TYR A 67 43.611 23.529 -6.821 1.00 0.00 H ATOM 482 H TYR A 67 43.045 27.047 -1.612 1.00 0.00 H ATOM 483 N ASP A 68 46.748 28.960 -3.099 1.00 36.44 N ATOM 484 CA ASP A 68 47.288 29.519 -4.335 1.00 39.57 C ATOM 485 C ASP A 68 47.658 28.440 -5.386 1.00 39.98 C ATOM 486 O ASP A 68 48.523 27.638 -5.167 1.00 38.63 O ATOM 487 CB ASP A 68 48.498 30.378 -4.063 1.00 42.36 C ATOM 488 CG ASP A 68 48.939 31.202 -5.303 1.00 51.43 C ATOM 489 OD1 ASP A 68 49.808 32.081 -5.152 1.00 60.19 O ATOM 490 OD2 ASP A 68 48.411 30.963 -6.395 1.00 56.78 O ATOM 491 H ASP A 68 47.332 28.938 -2.239 1.00 0.00 H ATOM 492 N GLU A 69 47.064 28.542 -6.572 1.00 43.80 N ATOM 493 CA GLU A 69 47.366 27.638 -7.722 1.00 48.40 C ATOM 494 C GLU A 69 48.876 27.528 -8.002 1.00 47.79 C ATOM 495 O GLU A 69 49.380 26.469 -8.176 1.00 52.76 O ATOM 496 CB GLU A 69 46.586 28.068 -8.985 1.00 52.35 C ATOM 497 CG GLU A 69 45.278 27.281 -9.184 1.00 54.85 C ATOM 498 H GLU A 69 46.353 29.289 -6.705 1.00 0.00 H ATOM 499 N LYS A 70 49.593 28.632 -7.953 1.00 50.33 N ATOM 500 CA LYS A 70 51.055 28.662 -8.138 1.00 53.67 C ATOM 501 C LYS A 70 51.847 28.133 -6.920 1.00 56.72 C ATOM 502 O LYS A 70 52.765 27.335 -7.068 1.00 60.74 O ATOM 503 CB LYS A 70 51.495 30.112 -8.448 1.00 54.84 C ATOM 504 H LYS A 70 49.101 29.531 -7.774 1.00 0.00 H ATOM 505 N GLN A 71 51.464 28.571 -5.722 1.00 52.12 N ATOM 506 CA GLN A 71 52.143 28.233 -4.488 1.00 46.75 C ATOM 507 C GLN A 71 51.122 27.532 -3.541 1.00 45.70 C ATOM 508 O GLN A 71 50.486 28.176 -2.687 1.00 43.53 O ATOM 509 CB GLN A 71 52.702 29.520 -3.872 1.00 48.59 C ATOM 510 CG GLN A 71 53.943 30.049 -4.586 1.00 56.11 C ATOM 511 CD GLN A 71 55.176 29.223 -4.287 1.00 56.48 C ATOM 512 OE1 GLN A 71 55.397 28.183 -4.890 1.00 58.82 O ATOM 513 NE2 GLN A 71 55.977 29.677 -3.335 1.00 60.79 N ATOM 514 HE22 GLN A 71 55.752 30.567 -2.847 1.00 0.00 H ATOM 515 HE21 GLN A 71 56.831 29.143 -3.076 1.00 0.00 H ATOM 516 H GLN A 71 50.630 29.191 -5.670 1.00 0.00 H ATOM 517 N GLN A 72 50.952 26.222 -3.720 1.00 39.93 N ATOM 518 CA GLN A 72 49.796 25.480 -3.186 1.00 41.59 C ATOM 519 C GLN A 72 49.831 25.308 -1.673 1.00 36.94 C ATOM 520 O GLN A 72 48.821 24.953 -1.022 1.00 37.05 O ATOM 521 CB GLN A 72 49.695 24.128 -3.879 1.00 44.06 C ATOM 522 CG GLN A 72 49.460 24.354 -5.351 1.00 46.30 C ATOM 523 CD GLN A 72 49.013 23.139 -6.101 1.00 50.13 C ATOM 524 OE1 GLN A 72 49.358 22.024 -5.771 1.00 55.48 O ATOM 525 NE2 GLN A 72 48.276 23.365 -7.165 1.00 52.25 N ATOM 526 HE22 GLN A 72 48.003 24.338 -7.411 1.00 0.00 H ATOM 527 HE21 GLN A 72 47.966 22.571 -7.761 1.00 0.00 H ATOM 528 H GLN A 72 51.669 25.699 -4.262 1.00 0.00 H ATOM 529 N HIS A 73 50.982 25.583 -1.096 1.00 37.70 N ATOM 530 CA HIS A 73 51.107 25.639 0.337 1.00 39.14 C ATOM 531 C HIS A 73 50.653 26.975 0.950 1.00 40.23 C ATOM 532 O HIS A 73 50.566 27.094 2.185 1.00 37.51 O ATOM 533 CB HIS A 73 52.548 25.295 0.726 1.00 44.61 C ATOM 534 CG HIS A 73 53.530 26.345 0.362 1.00 43.89 C ATOM 535 ND1 HIS A 73 54.117 26.409 -0.867 1.00 47.42 N ATOM 536 CD2 HIS A 73 54.007 27.398 1.062 1.00 47.82 C ATOM 537 CE1 HIS A 73 54.927 27.446 -0.926 1.00 49.07 C ATOM 538 NE2 HIS A 73 54.884 28.063 0.236 1.00 49.00 N ATOM 539 H HIS A 73 51.818 25.763 -1.688 1.00 0.00 H ATOM 540 N ILE A 74 50.377 27.996 0.137 1.00 36.55 N ATOM 541 CA ILE A 74 49.887 29.258 0.702 1.00 36.62 C ATOM 542 C ILE A 74 48.371 29.299 0.599 1.00 36.52 C ATOM 543 O ILE A 74 47.795 29.008 -0.444 1.00 37.76 O ATOM 544 CB ILE A 74 50.476 30.461 -0.031 1.00 40.38 C ATOM 545 CG1 ILE A 74 52.001 30.393 -0.056 1.00 44.82 C ATOM 546 CG2 ILE A 74 49.945 31.767 0.549 1.00 39.55 C ATOM 547 CD1 ILE A 74 52.647 30.440 1.311 1.00 48.48 C ATOM 548 H ILE A 74 50.508 27.898 -0.890 1.00 0.00 H ATOM 549 N VAL A 75 47.718 29.660 1.679 1.00 32.88 N ATOM 550 CA VAL A 75 46.287 29.835 1.671 1.00 33.88 C ATOM 551 C VAL A 75 45.987 31.304 1.720 1.00 36.29 C ATOM 552 O VAL A 75 46.535 32.003 2.615 1.00 35.83 O ATOM 553 CB VAL A 75 45.653 29.121 2.881 1.00 33.49 C ATOM 554 CG1 VAL A 75 44.150 29.375 2.951 1.00 33.15 C ATOM 555 CG2 VAL A 75 45.878 27.624 2.731 1.00 33.08 C ATOM 556 H VAL A 75 48.245 29.824 2.561 1.00 0.00 H ATOM 557 N TYR A 76 45.128 31.756 0.795 1.00 34.05 N ATOM 558 CA TYR A 76 44.594 33.115 0.810 1.00 35.60 C ATOM 559 C TYR A 76 43.188 33.080 1.416 1.00 37.92 C ATOM 560 O TYR A 76 42.207 32.661 0.797 1.00 37.47 O ATOM 561 CB TYR A 76 44.640 33.759 -0.587 1.00 37.06 C ATOM 562 CG TYR A 76 46.061 34.056 -0.990 1.00 39.98 C ATOM 563 CD1 TYR A 76 46.673 35.244 -0.621 1.00 43.12 C ATOM 564 CD2 TYR A 76 46.797 33.181 -1.730 1.00 45.47 C ATOM 565 CE1 TYR A 76 47.990 35.525 -0.943 1.00 44.92 C ATOM 566 CE2 TYR A 76 48.130 33.488 -2.085 1.00 46.09 C ATOM 567 CZ TYR A 76 48.704 34.649 -1.660 1.00 45.88 C ATOM 568 OH TYR A 76 49.984 34.964 -1.998 1.00 50.07 O ATOM 569 HH TYR A 76 50.223 35.838 -1.600 1.00 0.00 H ATOM 570 H TYR A 76 44.830 31.112 0.035 1.00 0.00 H ATOM 571 N CYS A 77 43.091 33.486 2.682 1.00 39.25 N ATOM 572 CA CYS A 77 41.810 33.424 3.356 1.00 39.34 C ATOM 573 C CYS A 77 41.228 34.842 3.516 1.00 41.36 C ATOM 574 O CYS A 77 40.092 34.977 3.950 1.00 41.51 O ATOM 575 CB CYS A 77 41.952 32.703 4.692 1.00 37.79 C ATOM 576 SG CYS A 77 43.352 33.329 5.682 1.00 41.14 S ATOM 577 H CYS A 77 43.929 33.845 3.182 1.00 0.00 H ATOM 578 N SER A 78 41.942 35.867 3.057 1.00 43.55 N ATOM 579 CA SER A 78 41.414 37.213 3.057 1.00 44.49 C ATOM 580 C SER A 78 40.032 37.264 2.454 1.00 41.92 C ATOM 581 O SER A 78 39.723 36.609 1.431 1.00 38.85 O ATOM 582 CB SER A 78 42.338 38.120 2.284 1.00 51.34 C ATOM 583 OG SER A 78 42.681 37.408 1.096 1.00 60.16 O ATOM 584 HG SER A 78 41.858 37.211 0.582 1.00 0.00 H ATOM 585 H SER A 78 42.900 35.696 2.690 1.00 0.00 H ATOM 586 N ASN A 79 39.168 38.025 3.102 1.00 42.48 N ATOM 587 CA ASN A 79 37.849 38.323 2.568 1.00 46.55 C ATOM 588 C ASN A 79 36.908 37.086 2.545 1.00 48.53 C ATOM 589 O ASN A 79 35.958 37.024 1.789 1.00 51.82 O ATOM 590 CB ASN A 79 37.999 38.896 1.143 1.00 49.18 C ATOM 591 CG ASN A 79 39.014 40.048 1.051 1.00 52.07 C ATOM 592 OD1 ASN A 79 38.893 41.008 1.771 1.00 51.31 O ATOM 593 ND2 ASN A 79 39.983 39.961 0.124 1.00 48.76 N ATOM 594 HD22 ASN A 79 40.053 39.115 -0.477 1.00 0.00 H ATOM 595 HD21 ASN A 79 40.663 40.739 0.008 1.00 0.00 H ATOM 596 H ASN A 79 39.440 38.424 4.023 1.00 0.00 H ATOM 597 N ASP A 80 37.213 36.083 3.352 1.00 44.80 N ATOM 598 CA ASP A 80 36.411 34.875 3.456 1.00 46.96 C ATOM 599 C ASP A 80 36.192 34.643 4.923 1.00 45.50 C ATOM 600 O ASP A 80 37.057 34.978 5.724 1.00 41.83 O ATOM 601 CB ASP A 80 37.189 33.667 2.960 1.00 47.24 C ATOM 602 CG ASP A 80 36.345 32.389 2.975 1.00 48.07 C ATOM 603 OD1 ASP A 80 35.610 32.197 2.008 1.00 48.77 O ATOM 604 OD2 ASP A 80 36.372 31.599 3.940 1.00 46.16 O ATOM 605 H ASP A 80 38.067 36.163 3.940 1.00 0.00 H ATOM 606 N LEU A 81 35.095 33.995 5.271 1.00 44.93 N ATOM 607 CA LEU A 81 34.839 33.594 6.666 1.00 47.16 C ATOM 608 C LEU A 81 36.153 33.103 7.333 1.00 43.71 C ATOM 609 O LEU A 81 36.482 33.506 8.420 1.00 43.29 O ATOM 610 CB LEU A 81 33.758 32.522 6.673 1.00 51.70 C ATOM 611 CG LEU A 81 33.535 31.802 8.021 1.00 57.81 C ATOM 612 CD1 LEU A 81 33.285 32.785 9.139 1.00 56.41 C ATOM 613 CD2 LEU A 81 32.373 30.827 7.878 1.00 60.45 C ATOM 614 H LEU A 81 34.393 33.761 4.541 1.00 0.00 H ATOM 615 N LEU A 82 36.945 32.288 6.641 1.00 41.47 N ATOM 616 CA LEU A 82 38.164 31.770 7.261 1.00 43.25 C ATOM 617 C LEU A 82 39.082 32.865 7.696 1.00 42.08 C ATOM 618 O LEU A 82 39.743 32.766 8.732 1.00 37.32 O ATOM 619 CB LEU A 82 38.921 30.847 6.343 1.00 42.46 C ATOM 620 CG LEU A 82 40.158 30.146 6.915 1.00 41.41 C ATOM 621 CD1 LEU A 82 39.840 29.395 8.209 1.00 42.49 C ATOM 622 CD2 LEU A 82 40.683 29.194 5.881 1.00 39.33 C ATOM 623 H LEU A 82 36.699 32.021 5.666 1.00 0.00 H ATOM 624 N GLY A 83 39.183 33.906 6.884 1.00 43.30 N ATOM 625 CA GLY A 83 40.151 34.925 7.175 1.00 44.71 C ATOM 626 C GLY A 83 39.673 35.757 8.331 1.00 46.39 C ATOM 627 O GLY A 83 40.476 36.310 9.079 1.00 42.93 O ATOM 628 H GLY A 83 38.570 33.984 6.048 1.00 0.00 H ATOM 629 N ASP A 84 38.348 35.848 8.458 1.00 48.36 N ATOM 630 CA ASP A 84 37.724 36.564 9.549 1.00 50.67 C ATOM 631 C ASP A 84 37.950 35.778 10.838 1.00 47.64 C ATOM 632 O ASP A 84 38.239 36.346 11.846 1.00 49.64 O ATOM 633 CB ASP A 84 36.231 36.769 9.290 1.00 55.74 C ATOM 634 CG ASP A 84 35.943 37.637 8.037 1.00 61.44 C ATOM 635 OD1 ASP A 84 36.857 38.275 7.457 1.00 65.52 O ATOM 636 OD2 ASP A 84 34.772 37.648 7.625 1.00 65.45 O ATOM 637 H ASP A 84 37.743 35.388 7.748 1.00 0.00 H ATOM 638 N LEU A 85 37.879 34.456 10.789 1.00 46.13 N ATOM 639 CA LEU A 85 38.210 33.640 11.978 1.00 45.04 C ATOM 640 C LEU A 85 39.675 33.677 12.338 1.00 43.97 C ATOM 641 O LEU A 85 40.032 33.705 13.526 1.00 45.76 O ATOM 642 CB LEU A 85 37.791 32.185 11.762 1.00 44.97 C ATOM 643 CG LEU A 85 36.295 32.084 11.432 1.00 47.19 C ATOM 644 CD1 LEU A 85 35.847 30.651 11.390 1.00 50.00 C ATOM 645 CD2 LEU A 85 35.432 32.918 12.361 1.00 56.43 C ATOM 646 H LEU A 85 37.588 33.988 9.907 1.00 0.00 H ATOM 647 N PHE A 86 40.536 33.663 11.330 1.00 37.63 N ATOM 648 CA PHE A 86 41.987 33.533 11.557 1.00 35.95 C ATOM 649 C PHE A 86 42.707 34.848 11.814 1.00 39.71 C ATOM 650 O PHE A 86 43.807 34.838 12.373 1.00 40.67 O ATOM 651 CB PHE A 86 42.623 32.795 10.354 1.00 34.96 C ATOM 652 CG PHE A 86 42.543 31.279 10.449 1.00 34.70 C ATOM 653 CD1 PHE A 86 41.634 30.656 11.324 1.00 37.44 C ATOM 654 CD2 PHE A 86 43.382 30.455 9.668 1.00 36.87 C ATOM 655 CE1 PHE A 86 41.550 29.257 11.389 1.00 36.98 C ATOM 656 CE2 PHE A 86 43.334 29.055 9.772 1.00 38.15 C ATOM 657 CZ PHE A 86 42.423 28.465 10.622 1.00 36.95 C ATOM 658 H PHE A 86 40.180 33.746 10.356 1.00 0.00 H ATOM 659 N GLY A 87 42.142 35.955 11.328 1.00 40.73 N ATOM 660 CA GLY A 87 42.703 37.289 11.531 1.00 44.04 C ATOM 661 C GLY A 87 43.920 37.604 10.686 1.00 45.67 C ATOM 662 O GLY A 87 44.667 38.541 10.988 1.00 40.49 O ATOM 663 H GLY A 87 41.263 35.864 10.780 1.00 0.00 H ATOM 664 N VAL A 88 44.122 36.846 9.601 1.00 41.39 N ATOM 665 CA VAL A 88 45.224 37.096 8.675 1.00 41.71 C ATOM 666 C VAL A 88 44.719 36.975 7.239 1.00 41.31 C ATOM 667 O VAL A 88 43.720 36.296 6.967 1.00 39.27 O ATOM 668 CB VAL A 88 46.408 36.124 8.808 1.00 43.37 C ATOM 669 CG1 VAL A 88 47.049 36.224 10.199 1.00 46.16 C ATOM 670 CG2 VAL A 88 45.952 34.682 8.527 1.00 40.82 C ATOM 671 H VAL A 88 43.474 36.055 9.412 1.00 0.00 H ATOM 672 N PRO A 89 45.418 37.621 6.313 1.00 40.85 N ATOM 673 CA PRO A 89 44.914 37.559 4.952 1.00 41.69 C ATOM 674 C PRO A 89 45.418 36.304 4.275 1.00 40.21 C ATOM 675 O PRO A 89 44.845 35.853 3.287 1.00 39.36 O ATOM 676 CB PRO A 89 45.538 38.768 4.299 1.00 43.35 C ATOM 677 CG PRO A 89 46.843 38.941 5.015 1.00 47.24 C ATOM 678 CD PRO A 89 46.489 38.628 6.457 1.00 48.04 C ATOM 679 N SER A 90 46.557 35.803 4.731 1.00 41.04 N ATOM 680 CA SER A 90 47.047 34.546 4.179 1.00 41.95 C ATOM 681 C SER A 90 47.920 33.849 5.170 1.00 39.69 C ATOM 682 O SER A 90 48.322 34.424 6.161 1.00 37.91 O ATOM 683 CB SER A 90 47.859 34.859 2.917 1.00 42.94 C ATOM 684 OG SER A 90 49.149 35.214 3.315 1.00 43.49 O ATOM 685 HG SER A 90 49.559 34.461 3.810 1.00 0.00 H ATOM 686 H SER A 90 47.093 36.299 5.471 1.00 0.00 H ATOM 687 N PHE A 91 48.251 32.602 4.933 1.00 36.26 N ATOM 688 CA PHE A 91 49.207 31.936 5.799 1.00 37.81 C ATOM 689 C PHE A 91 49.728 30.753 5.073 1.00 38.75 C ATOM 690 O PHE A 91 49.112 30.314 4.082 1.00 35.05 O ATOM 691 CB PHE A 91 48.558 31.501 7.111 1.00 35.95 C ATOM 692 CG PHE A 91 47.424 30.521 6.952 1.00 32.91 C ATOM 693 CD1 PHE A 91 47.653 29.175 7.015 1.00 34.90 C ATOM 694 CD2 PHE A 91 46.123 30.944 6.741 1.00 37.35 C ATOM 695 CE1 PHE A 91 46.632 28.283 6.894 1.00 33.86 C ATOM 696 CE2 PHE A 91 45.079 30.027 6.544 1.00 34.94 C ATOM 697 CZ PHE A 91 45.359 28.682 6.626 1.00 35.34 C ATOM 698 H PHE A 91 47.831 32.093 4.129 1.00 0.00 H ATOM 699 N SER A 92 50.855 30.234 5.525 1.00 36.74 N ATOM 700 CA SER A 92 51.379 29.045 4.906 1.00 36.66 C ATOM 701 C SER A 92 50.941 27.814 5.673 1.00 36.20 C ATOM 702 O SER A 92 50.878 27.834 6.888 1.00 35.66 O ATOM 703 CB SER A 92 52.925 29.084 4.875 1.00 38.69 C ATOM 704 OG SER A 92 53.372 27.751 4.742 1.00 40.46 O ATOM 705 HG SER A 92 54.362 27.737 4.719 1.00 0.00 H ATOM 706 H SER A 92 51.358 30.679 6.319 1.00 0.00 H ATOM 707 N VAL A 93 50.722 26.701 4.999 1.00 36.03 N ATOM 708 CA VAL A 93 50.241 25.535 5.687 1.00 33.67 C ATOM 709 C VAL A 93 51.335 24.803 6.399 1.00 39.47 C ATOM 710 O VAL A 93 51.053 23.866 7.205 1.00 39.84 O ATOM 711 CB VAL A 93 49.516 24.528 4.765 1.00 34.12 C ATOM 712 CG1 VAL A 93 48.298 25.192 4.123 1.00 35.57 C ATOM 713 CG2 VAL A 93 50.446 23.881 3.761 1.00 36.36 C ATOM 714 H VAL A 93 50.897 26.668 3.974 1.00 0.00 H ATOM 715 N LYS A 94 52.578 25.178 6.144 1.00 37.64 N ATOM 716 CA LYS A 94 53.681 24.636 6.938 1.00 41.86 C ATOM 717 C LYS A 94 53.854 25.299 8.323 1.00 44.90 C ATOM 718 O LYS A 94 54.701 24.863 9.073 1.00 50.33 O ATOM 719 CB LYS A 94 54.969 24.762 6.159 1.00 43.65 C ATOM 720 CG LYS A 94 54.937 24.095 4.796 1.00 48.60 C ATOM 721 CD LYS A 94 56.270 24.216 4.074 1.00 53.86 C ATOM 722 CE LYS A 94 56.080 24.072 2.565 1.00 56.00 C ATOM 723 NZ LYS A 94 57.256 24.597 1.811 1.00 60.41 N ATOM 724 HZ1 LYS A 94 57.386 25.605 2.032 1.00 0.00 H ATOM 725 HZ2 LYS A 94 58.108 24.068 2.087 1.00 0.00 H ATOM 726 HZ3 LYS A 94 57.091 24.483 0.791 1.00 0.00 H ATOM 727 H LYS A 94 52.771 25.857 5.380 1.00 0.00 H ATOM 728 N GLU A 95 53.091 26.363 8.642 1.00 42.73 N ATOM 729 CA GLU A 95 53.260 27.099 9.903 1.00 42.55 C ATOM 730 C GLU A 95 52.249 26.490 10.909 1.00 39.82 C ATOM 731 O GLU A 95 51.231 27.105 11.234 1.00 40.86 O ATOM 732 CB GLU A 95 53.027 28.632 9.723 1.00 43.82 C ATOM 733 CG GLU A 95 53.438 29.301 8.433 1.00 43.22 C ATOM 734 CD GLU A 95 53.175 30.805 8.422 1.00 42.89 C ATOM 735 OE1 GLU A 95 52.140 31.282 7.880 1.00 34.48 O ATOM 736 OE2 GLU A 95 54.027 31.524 8.965 1.00 45.49 O ATOM 737 H GLU A 95 52.358 26.674 7.973 1.00 0.00 H ATOM 738 N HIS A 96 52.518 25.270 11.398 1.00 38.87 N ATOM 739 CA HIS A 96 51.519 24.544 12.200 1.00 38.24 C ATOM 740 C HIS A 96 51.099 25.193 13.524 1.00 35.68 C ATOM 741 O HIS A 96 49.931 25.192 13.863 1.00 36.77 O ATOM 742 CB HIS A 96 52.002 23.184 12.498 1.00 38.22 C ATOM 743 CG HIS A 96 52.189 22.356 11.293 1.00 44.65 C ATOM 744 ND1 HIS A 96 52.457 21.016 11.359 1.00 50.39 N ATOM 745 CD2 HIS A 96 52.104 22.663 9.983 1.00 43.70 C ATOM 746 CE1 HIS A 96 52.571 20.534 10.132 1.00 54.82 C ATOM 747 NE2 HIS A 96 52.355 21.518 9.277 1.00 47.08 N ATOM 748 H HIS A 96 53.442 24.832 11.209 1.00 0.00 H ATOM 749 N ARG A 97 52.068 25.718 14.250 1.00 37.47 N ATOM 750 CA ARG A 97 51.801 26.324 15.532 1.00 39.09 C ATOM 751 C ARG A 97 50.982 27.587 15.316 1.00 35.84 C ATOM 752 O ARG A 97 50.020 27.807 16.088 1.00 36.79 O ATOM 753 CB ARG A 97 53.075 26.535 16.364 1.00 40.62 C ATOM 754 CG ARG A 97 52.819 27.256 17.685 1.00 42.10 C ATOM 755 CD ARG A 97 51.722 26.638 18.542 1.00 41.35 C ATOM 756 NE ARG A 97 52.177 25.320 18.991 1.00 43.09 N ATOM 757 CZ ARG A 97 51.424 24.372 19.511 1.00 40.76 C ATOM 758 NH1 ARG A 97 50.136 24.564 19.662 1.00 40.96 N ATOM 759 NH2 ARG A 97 51.988 23.206 19.855 1.00 40.67 N ATOM 760 HE ARG A 97 53.191 25.113 18.890 1.00 0.00 H ATOM 761 HH12 ARG A 97 49.543 23.815 20.073 1.00 0.00 H ATOM 762 HH11 ARG A 97 49.707 25.466 19.371 1.00 0.00 H ATOM 763 HH22 ARG A 97 51.406 22.448 20.267 1.00 0.00 H ATOM 764 HH21 ARG A 97 53.007 23.059 19.710 1.00 0.00 H ATOM 765 H ARG A 97 53.044 25.694 13.891 1.00 0.00 H ATOM 766 N LYS A 98 51.295 28.376 14.267 1.00 36.51 N ATOM 767 CA LYS A 98 50.460 29.557 13.994 1.00 31.45 C ATOM 768 C LYS A 98 49.072 29.128 13.752 1.00 32.62 C ATOM 769 O LYS A 98 48.133 29.762 14.195 1.00 33.44 O ATOM 770 CB LYS A 98 50.974 30.412 12.810 1.00 36.19 C ATOM 771 CG LYS A 98 50.112 31.606 12.375 1.00 32.10 C ATOM 772 CD LYS A 98 50.842 32.445 11.297 1.00 36.80 C ATOM 773 H LYS A 98 52.111 28.154 13.662 1.00 0.00 H ATOM 774 N ILE A 99 48.924 28.017 13.021 1.00 32.06 N ATOM 775 CA ILE A 99 47.640 27.609 12.628 1.00 33.00 C ATOM 776 C ILE A 99 46.860 27.136 13.864 1.00 32.03 C ATOM 777 O ILE A 99 45.662 27.436 14.010 1.00 30.95 O ATOM 778 CB ILE A 99 47.702 26.484 11.546 1.00 30.63 C ATOM 779 CG1 ILE A 99 48.140 27.038 10.182 1.00 35.67 C ATOM 780 CG2 ILE A 99 46.346 25.849 11.389 1.00 30.67 C ATOM 781 CD1 ILE A 99 48.521 25.935 9.190 1.00 36.41 C ATOM 782 H ILE A 99 49.757 27.458 12.745 1.00 0.00 H ATOM 783 N TYR A 100 47.469 26.277 14.675 1.00 31.12 N ATOM 784 CA TYR A 100 46.761 25.855 15.843 1.00 33.07 C ATOM 785 C TYR A 100 46.353 27.104 16.700 1.00 33.77 C ATOM 786 O TYR A 100 45.251 27.199 17.214 1.00 32.50 O ATOM 787 CB TYR A 100 47.653 25.006 16.677 1.00 35.26 C ATOM 788 CG TYR A 100 47.398 23.546 16.439 1.00 33.32 C ATOM 789 CD1 TYR A 100 46.962 22.731 17.477 1.00 34.53 C ATOM 790 CD2 TYR A 100 47.566 23.006 15.194 1.00 37.56 C ATOM 791 CE1 TYR A 100 46.726 21.379 17.277 1.00 33.87 C ATOM 792 CE2 TYR A 100 47.314 21.661 14.941 1.00 36.90 C ATOM 793 CZ TYR A 100 46.917 20.840 15.997 1.00 39.30 C ATOM 794 OH TYR A 100 46.723 19.514 15.800 1.00 39.27 O ATOM 795 HH TYR A 100 46.446 19.092 16.652 1.00 0.00 H ATOM 796 H TYR A 100 48.425 25.925 14.468 1.00 0.00 H ATOM 797 N THR A 101 47.242 28.059 16.804 1.00 35.28 N ATOM 798 CA THR A 101 46.898 29.287 17.578 1.00 39.44 C ATOM 799 C THR A 101 45.702 29.976 17.029 1.00 38.56 C ATOM 800 O THR A 101 44.875 30.473 17.797 1.00 37.42 O ATOM 801 CB THR A 101 48.036 30.237 17.550 1.00 39.64 C ATOM 802 OG1 THR A 101 49.178 29.538 18.078 1.00 39.93 O ATOM 803 CG2 THR A 101 47.728 31.494 18.368 1.00 44.12 C ATOM 804 HG1 THR A 101 49.368 28.746 17.515 1.00 0.00 H ATOM 805 H THR A 101 48.175 27.963 16.354 1.00 0.00 H ATOM 806 N MET A 102 45.563 29.995 15.689 1.00 35.96 N ATOM 807 CA MET A 102 44.498 30.778 15.099 1.00 34.91 C ATOM 808 C MET A 102 43.158 30.075 15.313 1.00 35.47 C ATOM 809 O MET A 102 42.131 30.684 15.500 1.00 35.58 O ATOM 810 CB MET A 102 44.750 31.064 13.622 1.00 36.50 C ATOM 811 CG MET A 102 45.974 31.915 13.352 1.00 39.34 C ATOM 812 SD MET A 102 46.203 32.356 11.585 1.00 40.46 S ATOM 813 CE MET A 102 46.427 30.737 10.788 1.00 41.16 C ATOM 814 H MET A 102 46.214 29.453 15.085 1.00 0.00 H ATOM 815 N ILE A 103 43.202 28.767 15.257 1.00 31.82 N ATOM 816 CA ILE A 103 42.080 27.975 15.515 1.00 31.68 C ATOM 817 C ILE A 103 41.653 28.049 17.001 1.00 32.43 C ATOM 818 O ILE A 103 40.461 28.016 17.319 1.00 36.63 O ATOM 819 CB ILE A 103 42.424 26.497 15.184 1.00 30.74 C ATOM 820 CG1 ILE A 103 42.618 26.324 13.676 1.00 31.09 C ATOM 821 CG2 ILE A 103 41.327 25.597 15.683 1.00 33.15 C ATOM 822 CD1 ILE A 103 43.006 24.860 13.266 1.00 32.67 C ATOM 823 H ILE A 103 44.100 28.303 15.013 1.00 0.00 H ATOM 824 N TYR A 104 42.607 28.054 17.911 1.00 35.76 N ATOM 825 CA TYR A 104 42.302 27.884 19.332 1.00 36.27 C ATOM 826 C TYR A 104 41.466 29.084 19.782 1.00 38.79 C ATOM 827 O TYR A 104 40.549 28.958 20.648 1.00 34.12 O ATOM 828 CB TYR A 104 43.585 27.856 20.156 1.00 36.49 C ATOM 829 CG TYR A 104 44.218 26.529 20.387 1.00 36.11 C ATOM 830 CD1 TYR A 104 43.453 25.406 20.651 1.00 40.27 C ATOM 831 CD2 TYR A 104 45.599 26.382 20.317 1.00 36.49 C ATOM 832 CE1 TYR A 104 44.043 24.171 20.848 1.00 42.07 C ATOM 833 CE2 TYR A 104 46.197 25.168 20.546 1.00 38.11 C ATOM 834 CZ TYR A 104 45.424 24.060 20.805 1.00 40.48 C ATOM 835 OH TYR A 104 45.986 22.834 21.082 1.00 41.81 O ATOM 836 HH TYR A 104 46.552 22.907 21.891 1.00 0.00 H ATOM 837 H TYR A 104 43.595 28.181 17.613 1.00 0.00 H ATOM 838 N ARG A 105 41.708 30.217 19.108 1.00 36.02 N ATOM 839 CA ARG A 105 41.001 31.451 19.478 1.00 42.11 C ATOM 840 C ARG A 105 39.528 31.317 19.152 1.00 44.73 C ATOM 841 O ARG A 105 38.725 32.131 19.615 1.00 45.75 O ATOM 842 CB ARG A 105 41.602 32.676 18.811 1.00 44.31 C ATOM 843 CG ARG A 105 41.456 33.958 19.629 1.00 55.98 C ATOM 844 H ARG A 105 42.394 30.223 18.326 1.00 0.00 H ATOM 845 N ASN A 106 39.158 30.276 18.401 1.00 38.62 N ATOM 846 CA ASN A 106 37.797 30.147 17.846 1.00 40.69 C ATOM 847 C ASN A 106 37.111 28.940 18.434 1.00 42.95 C ATOM 848 O ASN A 106 36.175 28.379 17.842 1.00 42.96 O ATOM 849 CB ASN A 106 37.831 29.986 16.300 1.00 41.01 C ATOM 850 CG ASN A 106 38.155 31.294 15.604 1.00 41.45 C ATOM 851 OD1 ASN A 106 37.270 32.107 15.409 1.00 46.20 O ATOM 852 ND2 ASN A 106 39.434 31.508 15.255 1.00 38.72 N ATOM 853 HD22 ASN A 106 40.153 30.781 15.444 1.00 0.00 H ATOM 854 HD21 ASN A 106 39.705 32.401 14.796 1.00 0.00 H ATOM 855 H ASN A 106 39.854 29.530 18.200 1.00 0.00 H ATOM 856 N LEU A 107 37.576 28.536 19.595 1.00 41.47 N ATOM 857 CA LEU A 107 36.941 27.473 20.279 1.00 44.29 C ATOM 858 C LEU A 107 37.232 27.514 21.815 1.00 43.63 C ATOM 859 O LEU A 107 37.990 28.341 22.307 1.00 43.11 O ATOM 860 CB LEU A 107 37.324 26.161 19.597 1.00 46.07 C ATOM 861 CG LEU A 107 38.589 25.365 19.998 1.00 49.47 C ATOM 862 CD1 LEU A 107 39.391 24.959 18.802 1.00 42.19 C ATOM 863 CD2 LEU A 107 39.534 25.850 21.091 1.00 49.08 C ATOM 864 H LEU A 107 38.410 28.998 20.011 1.00 0.00 H ATOM 865 N VAL A 108 36.591 26.620 22.526 1.00 43.10 N ATOM 866 CA VAL A 108 36.818 26.399 23.922 1.00 45.31 C ATOM 867 C VAL A 108 37.278 24.968 24.065 1.00 44.64 C ATOM 868 O VAL A 108 36.715 24.053 23.472 1.00 41.54 O ATOM 869 CB VAL A 108 35.496 26.552 24.697 1.00 51.17 C ATOM 870 CG1 VAL A 108 35.691 26.138 26.163 1.00 56.05 C ATOM 871 CG2 VAL A 108 35.000 27.984 24.563 1.00 52.28 C ATOM 872 H VAL A 108 35.875 26.036 22.048 1.00 0.00 H ATOM 873 N VAL A 109 38.335 24.780 24.834 1.00 47.71 N ATOM 874 CA VAL A 109 38.754 23.442 25.196 1.00 51.90 C ATOM 875 C VAL A 109 37.799 22.851 26.231 1.00 51.46 C ATOM 876 O VAL A 109 37.424 23.518 27.180 1.00 51.95 O ATOM 877 CB VAL A 109 40.168 23.470 25.760 1.00 55.33 C ATOM 878 CG1 VAL A 109 40.542 22.094 26.225 1.00 60.53 C ATOM 879 CG2 VAL A 109 41.131 23.986 24.692 1.00 54.91 C ATOM 880 H VAL A 109 38.871 25.600 25.183 1.00 0.00 H ATOM 881 N VAL A 110 37.422 21.597 26.028 1.00 54.39 N ATOM 882 CA VAL A 110 36.525 20.881 26.921 1.00 62.27 C ATOM 883 C VAL A 110 37.180 20.625 28.295 1.00 71.75 C ATOM 884 O VAL A 110 38.200 19.943 28.354 1.00 68.40 O ATOM 885 CB VAL A 110 36.119 19.530 26.288 1.00 65.93 C ATOM 886 CG1 VAL A 110 35.458 18.593 27.305 1.00 67.22 C ATOM 887 CG2 VAL A 110 35.215 19.782 25.083 1.00 66.93 C ATOM 888 H VAL A 110 37.785 21.101 25.189 1.00 0.00 H TER 889 VAL A 110 HETATM 890 O HOH 1 30.675 23.491 19.129 1.00 30.62 O HETATM 891 O HOH 2 27.233 27.889 14.435 1.00 30.71 O HETATM 892 O HOH 3 40.422 12.574 16.159 1.00 31.95 O HETATM 893 O HOH 4 48.969 24.519 22.952 1.00 37.36 O HETATM 894 O HOH 5 45.018 32.676 19.317 1.00 50.33 O HETATM 895 O HOH 6 51.383 21.029 -4.286 1.00 46.75 O HETATM 896 O HOH 7 26.389 25.384 13.437 1.00 38.69 O HETATM 897 O HOH 8 42.402 33.372 15.242 1.00 30.54 O HETATM 898 O HOH 9 45.857 35.903 13.886 1.00 46.47 O HETATM 899 O HOH 10 48.842 27.134 19.580 1.00 38.09 O HETATM 900 O HOH 11 53.924 28.222 13.130 1.00 39.43 O HETATM 901 O HOH 12 57.229 25.950 9.946 1.00 61.78 O HETATM 902 O HOH 13 39.592 27.179 25.835 1.00 29.48 O HETATM 903 O HOH 14 54.953 24.506 18.519 1.00 44.02 O HETATM 904 O HOH 15 51.840 33.290 3.821 1.00 34.83 O HETATM 905 O HOH 16 54.434 19.188 24.699 1.00 29.59 O HETATM 906 O HOH 17 41.387 24.645 34.890 1.00 31.22 O HETATM 907 O HOH 18 42.340 31.104 27.083 1.00 43.13 O HETATM 908 O HOH 19 45.786 22.130 23.984 1.00 42.36 O HETATM 909 O HOH 20 51.413 19.543 29.884 1.00 44.62 O HETATM 910 O HOH 21 44.668 22.784 35.662 1.00 47.86 O HETATM 911 O HOH 22 40.456 35.703 26.010 1.00 40.93 O HETATM 912 O HOH 23 43.805 24.783 27.942 1.00 33.35 O HETATM 913 O HOH 24 48.475 33.224 15.538 1.00 44.90 O HETATM 914 O HOH 25 42.592 41.514 24.167 1.00 32.01 O HETATM 915 O HOH 26 48.559 20.107 30.553 1.00 37.93 O HETATM 916 O HOH 27 57.190 25.289 30.364 1.00 51.08 O HETATM 917 O HOH 28 44.426 22.616 26.513 1.00 44.25 O HETATM 918 O28 UNN A 29 54.127 18.917 -3.798 1.00 -0.57 O HETATM 919 C25 UNN A 29 54.254 18.448 -2.702 1.00 0.04 C HETATM 920 O26 UNN A 29 55.352 17.745 -2.454 1.00 -0.57 O HETATM 921 C24 UNN A 29 53.159 18.685 -1.683 1.00 0.02 C HETATM 922 C23 UNN A 29 52.530 17.341 -1.480 1.00 0.05 C HETATM 923 C21 UNN A 29 51.940 17.108 -0.120 1.00 0.18 C HETATM 924 O22 UNN A 29 52.642 16.751 0.807 1.00 -0.40 O HETATM 925 N20 UNN A 29 50.620 17.175 -0.014 1.00 -0.29 N HETATM 926 C19 UNN A 29 49.982 16.729 1.183 1.00 0.03 C HETATM 927 C17 UNN A 29 48.614 17.371 1.311 1.00 -0.03 C HETATM 928 C16 UNN A 29 47.817 16.566 2.306 1.00 -0.05 C HETATM 929 C13 UNN A 29 46.466 17.162 2.595 1.00 -0.05 C HETATM 930 C12 UNN A 29 45.736 16.166 3.489 1.00 -0.03 C HETATM 931 C3 UNN A 29 45.695 16.533 4.935 1.00 0.08 C HETATM 932 O1 UNN A 29 45.695 17.961 5.158 1.00 -0.28 O HETATM 933 C60 UNN A 29 44.724 18.449 5.989 1.00 0.29 C HETATM 934 O2 UNN A 29 43.783 17.836 6.429 1.00 -0.36 O HETATM 935 C48 UNN A 29 44.838 19.846 6.295 1.00 0.16 C HETATM 936 N49 UNN A 29 44.012 20.530 7.044 1.00 -0.26 N HETATM 937 C46 UNN A 29 44.403 21.798 7.144 1.00 0.07 C HETATM 938 C56 UNN A 29 43.849 22.893 7.783 1.00 -0.03 C HETATM 939 C57 UNN A 29 44.439 24.088 7.627 1.00 0.03 C HETATM 940 CL1 UNN A 29 43.746 25.448 8.539 1.00 -0.08 CL HETATM 941 C58 UNN A 29 45.573 24.281 6.848 1.00 -0.06 C HETATM 942 C59 UNN A 29 46.147 23.219 6.171 1.00 -0.07 C HETATM 943 C45 UNN A 29 45.543 22.009 6.267 1.00 -0.00 C HETATM 944 C44 UNN A 29 45.837 20.697 5.732 1.00 0.04 C HETATM 945 C14 UNN A 29 47.001 20.438 4.841 1.00 0.08 C HETATM 946 N13 UNN A 29 48.102 19.854 5.265 1.00 -0.23 N HETATM 947 C5 UNN A 29 48.346 19.187 6.527 1.00 0.09 C HETATM 948 C6 UNN A 29 48.263 20.061 7.735 1.00 -0.01 C HETATM 949 C7 UNN A 29 47.685 19.549 8.902 1.00 -0.06 C HETATM 950 C8 UNN A 29 47.688 20.359 10.050 1.00 -0.05 C HETATM 951 C9 UNN A 29 48.253 21.615 9.986 1.00 0.03 C HETATM 952 CL2 UNN A 29 48.307 22.734 11.382 1.00 -0.08 CL HETATM 953 C10 UNN A 29 48.830 22.113 8.810 1.00 -0.05 C HETATM 954 C11 UNN A 29 48.835 21.300 7.701 1.00 -0.06 C HETATM 955 H27 UNN A 29 49.300 21.648 6.786 1.00 0.06 H HETATM 956 H26 UNN A 29 49.259 23.108 8.776 1.00 0.06 H HETATM 957 H25 UNN A 29 47.251 20.001 10.975 1.00 0.06 H HETATM 958 H24 UNN A 29 47.248 18.557 8.920 1.00 0.06 H HETATM 959 H22 UNN A 29 49.355 18.750 6.492 1.00 0.08 H HETATM 960 H23 UNN A 29 47.603 18.384 6.637 1.00 0.08 H HETATM 961 C18 UNN A 29 48.977 19.889 4.263 1.00 0.10 C HETATM 962 N16 UNN A 29 48.502 20.586 3.220 1.00 -0.32 N HETATM 963 C15 UNN A 29 47.249 20.986 3.514 1.00 0.03 C HETATM 964 C37 UNN A 29 46.417 21.687 2.600 1.00 -0.03 C HETATM 965 C38 UNN A 29 45.050 21.457 2.619 1.00 -0.06 C HETATM 966 C39 UNN A 29 44.246 22.090 1.741 1.00 -0.03 C HETATM 967 C40 UNN A 29 44.849 22.964 0.855 1.00 0.13 C HETATM 968 F UNN A 29 44.053 23.556 -0.041 1.00 -0.19 F HETATM 969 C41 UNN A 29 46.222 23.178 0.834 1.00 -0.03 C HETATM 970 C42 UNN A 29 47.038 22.538 1.707 1.00 -0.06 C HETATM 971 H32 UNN A 29 48.112 22.685 1.704 1.00 0.06 H HETATM 972 H31 UNN A 29 46.646 23.865 0.111 1.00 0.06 H HETATM 973 H30 UNN A 29 43.175 21.921 1.730 1.00 0.06 H HETATM 974 H29 UNN A 29 44.627 20.767 3.341 1.00 0.06 H HETATM 975 H28 UNN A 29 49.956 19.412 4.287 1.00 0.12 H HETATM 976 H20 UNN A 29 47.049 23.350 5.584 1.00 0.06 H HETATM 977 H21 UNN A 29 46.011 25.270 6.770 1.00 0.05 H HETATM 978 H19 UNN A 29 42.960 22.788 8.395 1.00 0.06 H HETATM 979 H18 UNN A 29 43.172 20.140 7.495 1.00 0.23 H HETATM 980 H16 UNN A 29 46.577 16.101 5.431 1.00 0.06 H HETATM 981 H17 UNN A 29 44.781 16.110 5.378 1.00 0.06 H HETATM 982 H14 UNN A 29 46.239 15.192 3.398 1.00 0.03 H HETATM 983 H15 UNN A 29 44.700 16.079 3.129 1.00 0.03 H HETATM 984 H12 UNN A 29 45.908 17.312 1.659 1.00 0.03 H HETATM 985 H13 UNN A 29 46.579 18.126 3.113 1.00 0.03 H HETATM 986 H10 UNN A 29 48.384 16.510 3.247 1.00 0.03 H HETATM 987 H11 UNN A 29 47.674 15.552 1.903 1.00 0.03 H HETATM 988 H8 UNN A 29 48.106 17.368 0.335 1.00 0.03 H HETATM 989 H9 UNN A 29 48.719 18.407 1.666 1.00 0.03 H HETATM 990 H6 UNN A 29 50.598 17.009 2.050 1.00 0.05 H HETATM 991 H7 UNN A 29 49.870 15.635 1.150 1.00 0.05 H HETATM 992 H5 UNN A 29 50.074 17.537 -0.769 1.00 0.19 H HETATM 993 H3 UNN A 29 53.301 16.576 -1.652 1.00 0.05 H HETATM 994 H4 UNN A 29 51.727 17.226 -2.223 1.00 0.05 H HETATM 995 H1 UNN A 29 52.421 19.404 -2.067 1.00 0.05 H HETATM 996 H2 UNN A 29 53.582 19.062 -0.740 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 918 919 CONECT 919 918 920 921 CONECT 920 919 CONECT 921 919 922 995 996 CONECT 922 921 923 993 994 CONECT 923 922 924 925 CONECT 924 923 CONECT 925 923 926 992 CONECT 926 925 927 990 991 CONECT 927 926 928 988 989 CONECT 928 927 929 986 987 CONECT 929 928 930 984 985 CONECT 930 929 931 982 983 CONECT 931 930 932 980 981 CONECT 932 931 933 CONECT 933 932 934 935 CONECT 934 933 CONECT 935 933 936 944 CONECT 936 935 937 979 CONECT 937 936 938 943 CONECT 938 937 939 978 CONECT 939 938 940 941 CONECT 940 939 CONECT 941 939 942 977 CONECT 942 941 943 976 CONECT 943 937 942 944 CONECT 944 935 943 945 CONECT 945 944 946 963 CONECT 946 945 947 961 CONECT 947 946 948 959 960 CONECT 948 947 949 954 CONECT 949 948 950 958 CONECT 950 949 951 957 CONECT 951 950 952 953 CONECT 952 951 CONECT 953 951 954 956 CONECT 954 948 953 955 CONECT 955 954 CONECT 956 953 CONECT 957 950 CONECT 958 949 CONECT 959 947 CONECT 960 947 CONECT 961 946 962 975 CONECT 962 961 963 CONECT 963 945 962 964 CONECT 964 963 965 970 CONECT 965 964 966 974 CONECT 966 965 967 973 CONECT 967 966 968 969 CONECT 968 967 CONECT 969 967 970 972 CONECT 970 964 969 971 CONECT 971 970 CONECT 972 969 CONECT 973 966 CONECT 974 965 CONECT 975 961 CONECT 976 942 CONECT 977 941 CONECT 978 938 CONECT 979 936 CONECT 980 931 CONECT 981 931 CONECT 982 930 CONECT 983 930 CONECT 984 929 CONECT 985 929 CONECT 986 928 CONECT 987 928 CONECT 988 927 CONECT 989 927 CONECT 990 926 CONECT 991 926 CONECT 992 925 CONECT 993 922 CONECT 994 922 CONECT 995 921 CONECT 996 921 MASTER 0 0 0 0 0 0 0 0 995 1 83 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5j7g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1rv1
RCSB PDB
PDBbind
85aa, >1RV1_1|Chains... at 98%
1t4e
RCSB PDB
PDBbind
96aa, >1T4E_1|Chains... at 98%
2axi
RCSB PDB
PDBbind
115aa, >2AXI_1|Chain... at 95%
2gv2
RCSB PDB
PDBbind
110aa, >2GV2_1|Chain... at 99%
2lzg
RCSB PDB
PDBbind
125aa, >2LZG_1|Chain... at 100%
3jzk
RCSB PDB
PDBbind
96aa, >3JZK_1|Chain... at 98%
3lbk
RCSB PDB
PDBbind
95aa, >3LBK_1|Chain... at 97%
3lbl
RCSB PDB
PDBbind
95aa, >3LBL_1|Chains... at 98%
3lnz
RCSB PDB
PDBbind
85aa, >3LNZ_1|Chains... at 100%
3tu1
RCSB PDB
PDBbind
108aa, >3TU1_1|Chain... at 100%
3vbg
RCSB PDB
PDBbind
85aa, >3VBG_1|Chains... at 98%
3vzv
RCSB PDB
PDBbind
87aa, >3VZV_1|Chains... at 96%
3w69
RCSB PDB
PDBbind
87aa, >3W69_1|Chains... at 96%
4dij
RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
96aa, >4ERE_1|Chains... at 98%
4erf
RCSB PDB
PDBbind
96aa, >4ERF_1|Chains... at 98%
4hbm
RCSB PDB
PDBbind
120aa, >4HBM_1|Chains... at 100%
4hg7
RCSB PDB
PDBbind
97aa, >4HG7_1|Chain... at 93%
4jv7
RCSB PDB
PDBbind
96aa, >4JV7_1|Chain... at 97%
4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jve
RCSB PDB
PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4ode
RCSB PDB
PDBbind
105aa, >4ODE_1|Chain... at 100%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5j7f
RCSB PDB
PDBbind
6GG
Entry Information
PDB ID
5j7g
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
6GG
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
IC50=0.058uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 4234-4244
Ligand Properties
Formula
C
3
5
H
3
3
Cl
2
FN
4
O
5
Molecular Weight
679.565
Exact Mass
678.181
No. of atoms
80
No. of bonds
84
Polar Surface Area
126.31
LOGP Value
8.22 (
Computed with XLOGP3
)
8.28 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
O=C(CCC(=O)O)NCCCCCCOC(=O)c1[nH]c2c(c1c1n(cnc1c1ccc(cc1)F)Cc1ccc(cc1)Cl)ccc(c2)Cl
InChI String
InChI=1S/C35H33Cl2FN4O5/c36-24-9-5-22(6-10-24)20-42-21-40-32(23-7-12-26(38)13-8-23)34(42)31-27-14-11-25(37)19-28(27)41-33(31)35(46)47-18-4-2-1-3-17-39-29(43)15-16-30(44)45/h5-14,19,21,41H,1-4,15-18,20H2,(H,39,43)(H,44,45)
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):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓