Browse entries in the PDBbind-CN Database
HEADER 5XXK_COMPLEX COMPND 5XXK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 95 GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO SEQRES 2 A 95 LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA SEQRES 3 A 95 GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR SEQRES 4 A 95 LEU GLY GLN TYR ILE ALA THR LYS ARG LEU TYR ASP GLU SEQRES 5 A 95 LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU SEQRES 6 A 95 GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU SEQRES 7 A 95 HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL SEQRES 8 A 95 VAL VAL ASN GLN HET THC A 159 211 ATOM 1 N GLN A 18 8.670 126.351 24.485 1.00 49.33 N ATOM 2 CA GLN A 18 7.343 126.069 25.120 1.00 49.13 C ATOM 3 C GLN A 18 6.799 124.683 24.720 1.00 49.99 C ATOM 4 O GLN A 18 6.562 124.429 23.539 1.00 49.86 O ATOM 5 CB GLN A 18 6.334 127.156 24.724 1.00 50.70 C ATOM 6 HN3 GLN A 18 8.570 126.325 23.450 1.00 0.00 H ATOM 7 HN2 GLN A 18 9.357 125.631 24.786 1.00 0.00 H ATOM 8 HN1 GLN A 18 9.001 127.292 24.779 1.00 0.00 H ATOM 9 N ILE A 19 6.614 123.793 25.697 1.00 47.63 N ATOM 10 CA ILE A 19 5.961 122.492 25.453 1.00 47.90 C ATOM 11 C ILE A 19 4.440 122.740 25.295 1.00 49.16 C ATOM 12 O ILE A 19 3.847 123.410 26.150 1.00 46.38 O ATOM 13 CB ILE A 19 6.261 121.477 26.594 1.00 47.65 C ATOM 14 CG1 ILE A 19 7.771 121.203 26.679 1.00 47.59 C ATOM 15 CG2 ILE A 19 5.513 120.158 26.383 1.00 46.81 C ATOM 16 CD1 ILE A 19 8.229 120.560 27.968 1.00 47.04 C ATOM 17 H ILE A 19 6.939 124.023 26.658 1.00 0.00 H ATOM 18 N PRO A 20 3.808 122.229 24.201 1.00 52.02 N ATOM 19 CA PRO A 20 2.349 122.424 24.007 1.00 53.65 C ATOM 20 C PRO A 20 1.490 121.980 25.209 1.00 53.95 C ATOM 21 O PRO A 20 1.891 121.073 25.945 1.00 49.71 O ATOM 22 CB PRO A 20 2.029 121.560 22.776 1.00 53.05 C ATOM 23 CG PRO A 20 3.318 121.431 22.045 1.00 54.32 C ATOM 24 CD PRO A 20 4.406 121.464 23.086 1.00 53.88 C ATOM 25 N ALA A 21 0.338 122.629 25.402 1.00 55.21 N ATOM 26 CA ALA A 21 -0.585 122.312 26.511 1.00 57.70 C ATOM 27 C ALA A 21 -0.924 120.812 26.612 1.00 56.96 C ATOM 28 O ALA A 21 -0.912 120.234 27.707 1.00 56.81 O ATOM 29 CB ALA A 21 -1.865 123.135 26.385 1.00 59.78 C ATOM 30 H ALA A 21 0.080 123.391 24.743 1.00 0.00 H ATOM 31 N SER A 22 -1.202 120.191 25.466 1.00 58.52 N ATOM 32 CA SER A 22 -1.478 118.749 25.398 1.00 58.15 C ATOM 33 C SER A 22 -0.258 117.899 25.784 1.00 55.21 C ATOM 34 O SER A 22 -0.395 116.907 26.508 1.00 56.46 O ATOM 35 CB SER A 22 -1.974 118.357 23.997 1.00 60.39 C ATOM 36 OG SER A 22 -1.085 118.796 22.980 1.00 61.47 O ATOM 37 HG SER A 22 -1.438 118.525 22.095 1.00 0.00 H ATOM 38 H SER A 22 -1.224 120.747 24.588 1.00 0.00 H ATOM 39 N GLU A 23 0.923 118.301 25.314 1.00 47.93 N ATOM 40 CA GLU A 23 2.166 117.576 25.589 1.00 46.75 C ATOM 41 C GLU A 23 2.606 117.687 27.052 1.00 42.96 C ATOM 42 O GLU A 23 3.233 116.761 27.574 1.00 39.16 O ATOM 43 CB GLU A 23 3.280 118.055 24.647 1.00 50.44 C ATOM 44 CG GLU A 23 4.585 117.262 24.725 1.00 55.24 C ATOM 45 CD GLU A 23 5.627 117.688 23.686 1.00 59.38 C ATOM 46 OE1 GLU A 23 6.838 117.620 23.998 1.00 58.72 O ATOM 47 OE2 GLU A 23 5.250 118.089 22.557 1.00 65.27 O ATOM 48 H GLU A 23 0.963 119.161 24.731 1.00 0.00 H ATOM 49 N GLN A 24 2.279 118.805 27.708 1.00 38.43 N ATOM 50 CA GLN A 24 2.576 118.990 29.131 1.00 39.20 C ATOM 51 C GLN A 24 1.935 117.931 30.031 1.00 37.00 C ATOM 52 O GLN A 24 2.510 117.586 31.055 1.00 30.38 O ATOM 53 CB GLN A 24 2.122 120.372 29.623 1.00 42.44 C ATOM 54 CG GLN A 24 3.070 121.511 29.280 1.00 46.68 C ATOM 55 CD GLN A 24 2.665 122.825 29.925 1.00 51.17 C ATOM 56 OE1 GLN A 24 1.748 122.877 30.748 1.00 54.17 O ATOM 57 NE2 GLN A 24 3.352 123.902 29.552 1.00 54.63 N ATOM 58 HE22 GLN A 24 4.118 123.814 28.854 1.00 0.00 H ATOM 59 HE21 GLN A 24 3.123 124.832 29.958 1.00 0.00 H ATOM 60 H GLN A 24 1.798 119.569 27.191 1.00 0.00 H ATOM 61 N GLU A 25 0.747 117.444 29.657 1.00 36.33 N ATOM 62 CA GLU A 25 0.026 116.433 30.453 1.00 36.94 C ATOM 63 C GLU A 25 0.355 114.988 30.076 1.00 35.04 C ATOM 64 O GLU A 25 -0.187 114.061 30.691 1.00 34.66 O ATOM 65 CB GLU A 25 -1.491 116.693 30.383 1.00 41.65 C ATOM 66 CG GLU A 25 -1.907 118.072 30.917 1.00 44.35 C ATOM 67 CD GLU A 25 -1.442 118.331 32.354 1.00 49.74 C ATOM 68 OE1 GLU A 25 -1.534 117.408 33.199 1.00 52.66 O ATOM 69 OE2 GLU A 25 -0.963 119.456 32.643 1.00 53.86 O ATOM 70 H GLU A 25 0.317 117.790 28.775 1.00 0.00 H ATOM 71 N THR A 26 1.242 114.794 29.096 1.00 33.51 N ATOM 72 CA THR A 26 1.729 113.465 28.707 1.00 33.14 C ATOM 73 C THR A 26 2.351 112.755 29.902 1.00 32.65 C ATOM 74 O THR A 26 3.221 113.302 30.583 1.00 27.52 O ATOM 75 CB THR A 26 2.793 113.562 27.587 1.00 34.54 C ATOM 76 OG1 THR A 26 2.234 114.233 26.458 1.00 37.53 O ATOM 77 CG2 THR A 26 3.287 112.181 27.144 1.00 33.92 C ATOM 78 HG1 THR A 26 1.950 115.143 26.724 1.00 0.00 H ATOM 79 H THR A 26 1.605 115.624 28.585 1.00 0.00 H ATOM 80 N LEU A 27 1.903 111.527 30.155 1.00 28.95 N ATOM 81 CA LEU A 27 2.385 110.767 31.274 1.00 28.27 C ATOM 82 C LEU A 27 3.627 109.985 30.862 1.00 26.33 C ATOM 83 O LEU A 27 3.640 109.352 29.809 1.00 26.35 O ATOM 84 CB LEU A 27 1.303 109.796 31.758 1.00 29.77 C ATOM 85 CG LEU A 27 1.462 109.321 33.188 1.00 32.48 C ATOM 86 CD1 LEU A 27 1.133 110.426 34.190 1.00 34.45 C ATOM 87 CD2 LEU A 27 0.562 108.106 33.424 1.00 35.09 C ATOM 88 H LEU A 27 1.187 111.108 29.527 1.00 0.00 H ATOM 89 N VAL A 28 4.654 110.026 31.702 1.00 25.27 N ATOM 90 CA VAL A 28 5.959 109.464 31.357 1.00 26.46 C ATOM 91 C VAL A 28 6.548 108.743 32.548 1.00 26.22 C ATOM 92 O VAL A 28 6.225 109.057 33.704 1.00 26.60 O ATOM 93 CB VAL A 28 6.959 110.560 30.860 1.00 27.13 C ATOM 94 CG1 VAL A 28 6.395 111.297 29.672 1.00 28.39 C ATOM 95 CG2 VAL A 28 7.307 111.552 31.963 1.00 28.60 C ATOM 96 H VAL A 28 4.527 110.471 32.633 1.00 0.00 H ATOM 97 N ARG A 29 7.427 107.791 32.263 1.00 26.97 N ATOM 98 CA ARG A 29 8.141 107.041 33.290 1.00 29.39 C ATOM 99 C ARG A 29 9.624 107.284 33.091 1.00 28.88 C ATOM 100 O ARG A 29 10.207 106.783 32.113 1.00 28.59 O ATOM 101 CB ARG A 29 7.835 105.545 33.184 1.00 33.05 C ATOM 102 CG ARG A 29 6.403 105.216 33.531 1.00 37.78 C ATOM 103 CD ARG A 29 6.251 103.731 33.832 1.00 40.99 C ATOM 104 NE ARG A 29 4.857 103.406 34.139 1.00 44.13 N ATOM 105 CZ ARG A 29 3.992 102.798 33.321 1.00 46.99 C ATOM 106 NH1 ARG A 29 2.752 102.573 33.749 1.00 48.00 N ATOM 107 NH2 ARG A 29 4.333 102.408 32.087 1.00 47.69 N ATOM 108 HE ARG A 29 4.507 103.673 35.081 1.00 0.00 H ATOM 109 HH12 ARG A 29 2.065 102.101 33.127 1.00 0.00 H ATOM 110 HH11 ARG A 29 2.470 102.869 34.705 1.00 0.00 H ATOM 111 HH22 ARG A 29 3.633 101.938 31.478 1.00 0.00 H ATOM 112 HH21 ARG A 29 5.298 102.575 31.737 1.00 0.00 H ATOM 113 H ARG A 29 7.615 107.570 31.264 1.00 0.00 H ATOM 114 N PRO A 30 10.232 108.093 33.975 1.00 28.42 N ATOM 115 CA PRO A 30 11.658 108.362 33.841 1.00 28.82 C ATOM 116 C PRO A 30 12.507 107.100 33.950 1.00 30.74 C ATOM 117 O PRO A 30 12.237 106.244 34.802 1.00 28.60 O ATOM 118 CB PRO A 30 11.934 109.273 35.026 1.00 28.90 C ATOM 119 CG PRO A 30 10.668 110.050 35.163 1.00 28.30 C ATOM 120 CD PRO A 30 9.632 108.979 34.997 1.00 27.49 C ATOM 121 N LYS A 31 13.533 107.033 33.104 1.00 31.83 N ATOM 122 CA LYS A 31 14.553 105.977 33.169 1.00 33.58 C ATOM 123 C LYS A 31 15.367 106.161 34.454 1.00 32.74 C ATOM 124 O LYS A 31 15.236 107.184 35.129 1.00 30.31 O ATOM 125 CB LYS A 31 15.422 106.017 31.913 1.00 34.54 C ATOM 126 CG LYS A 31 14.637 105.715 30.651 1.00 35.83 C ATOM 127 CD LYS A 31 15.528 105.587 29.436 1.00 38.32 C ATOM 128 CE LYS A 31 14.704 105.339 28.194 1.00 40.52 C ATOM 129 NZ LYS A 31 15.568 105.348 26.990 1.00 43.54 N ATOM 130 HZ1 LYS A 31 16.036 106.273 26.907 1.00 0.00 H ATOM 131 HZ2 LYS A 31 16.287 104.601 27.075 1.00 0.00 H ATOM 132 HZ3 LYS A 31 14.986 105.176 26.146 1.00 0.00 H ATOM 133 H LYS A 31 13.616 107.760 32.365 1.00 0.00 H ATOM 134 N PRO A 32 16.183 105.158 34.846 1.00 33.51 N ATOM 135 CA PRO A 32 16.758 105.197 36.201 1.00 33.03 C ATOM 136 C PRO A 32 17.610 106.401 36.632 1.00 30.91 C ATOM 137 O PRO A 32 17.473 106.831 37.778 1.00 31.89 O ATOM 138 CB PRO A 32 17.602 103.916 36.250 1.00 34.74 C ATOM 139 CG PRO A 32 16.859 102.993 35.358 1.00 35.15 C ATOM 140 CD PRO A 32 16.399 103.839 34.215 1.00 35.42 C ATOM 141 N LEU A 33 18.472 106.930 35.762 1.00 31.87 N ATOM 142 CA LEU A 33 19.320 108.073 36.130 1.00 33.11 C ATOM 143 C LEU A 33 18.452 109.318 36.343 1.00 29.37 C ATOM 144 O LEU A 33 18.594 109.996 37.350 1.00 28.76 O ATOM 145 CB LEU A 33 20.394 108.379 35.068 1.00 36.88 C ATOM 146 CG LEU A 33 21.641 107.481 34.993 1.00 41.04 C ATOM 147 CD1 LEU A 33 22.621 108.091 33.997 1.00 42.70 C ATOM 148 CD2 LEU A 33 22.313 107.292 36.342 1.00 42.19 C ATOM 149 H LEU A 33 18.545 106.527 34.806 1.00 0.00 H ATOM 150 N LEU A 34 17.550 109.601 35.405 1.00 28.67 N ATOM 151 CA LEU A 34 16.607 110.724 35.589 1.00 28.28 C ATOM 152 C LEU A 34 15.771 110.555 36.861 1.00 28.33 C ATOM 153 O LEU A 34 15.588 111.500 37.628 1.00 26.03 O ATOM 154 CB LEU A 34 15.695 110.898 34.370 1.00 28.11 C ATOM 155 CG LEU A 34 14.676 112.043 34.457 1.00 27.64 C ATOM 156 CD1 LEU A 34 15.378 113.367 34.735 1.00 27.95 C ATOM 157 CD2 LEU A 34 13.888 112.108 33.173 1.00 27.03 C ATOM 158 H LEU A 34 17.509 109.028 34.538 1.00 0.00 H ATOM 159 N LEU A 35 15.260 109.347 37.099 1.00 27.67 N ATOM 160 CA LEU A 35 14.464 109.113 38.284 1.00 29.13 C ATOM 161 C LEU A 35 15.283 109.412 39.545 1.00 30.63 C ATOM 162 O LEU A 35 14.775 110.045 40.465 1.00 30.07 O ATOM 163 CB LEU A 35 13.883 107.680 38.299 1.00 31.44 C ATOM 164 CG LEU A 35 12.732 107.430 39.279 1.00 33.34 C ATOM 165 CD1 LEU A 35 11.480 108.167 38.839 1.00 34.33 C ATOM 166 CD2 LEU A 35 12.451 105.932 39.384 1.00 35.59 C ATOM 167 H LEU A 35 15.434 108.570 36.430 1.00 0.00 H ATOM 168 N LYS A 36 16.556 108.997 39.569 1.00 31.25 N ATOM 169 CA LYS A 36 17.455 109.303 40.685 1.00 33.25 C ATOM 170 C LYS A 36 17.603 110.813 40.887 1.00 29.94 C ATOM 171 O LYS A 36 17.563 111.300 42.010 1.00 29.25 O ATOM 172 CB LYS A 36 18.845 108.688 40.458 1.00 37.28 C ATOM 173 CG LYS A 36 19.819 108.875 41.619 1.00 42.05 C ATOM 174 CD LYS A 36 21.236 108.494 41.215 1.00 45.49 C ATOM 175 CE LYS A 36 22.211 108.761 42.345 1.00 48.84 C ATOM 176 NZ LYS A 36 23.543 108.174 42.033 1.00 52.81 N ATOM 177 HZ1 LYS A 36 23.446 107.146 41.905 1.00 0.00 H ATOM 178 HZ2 LYS A 36 23.912 108.600 41.159 1.00 0.00 H ATOM 179 HZ3 LYS A 36 24.198 108.367 42.818 1.00 0.00 H ATOM 180 H LYS A 36 16.918 108.439 38.769 1.00 0.00 H ATOM 181 N LEU A 37 17.787 111.543 39.794 1.00 28.70 N ATOM 182 CA LEU A 37 17.844 113.000 39.874 1.00 28.73 C ATOM 183 C LEU A 37 16.560 113.568 40.493 1.00 27.16 C ATOM 184 O LEU A 37 16.610 114.364 41.433 1.00 28.84 O ATOM 185 CB LEU A 37 18.121 113.594 38.490 1.00 29.74 C ATOM 186 CG LEU A 37 18.256 115.126 38.405 1.00 32.49 C ATOM 187 CD1 LEU A 37 19.155 115.535 37.252 1.00 33.74 C ATOM 188 CD2 LEU A 37 16.913 115.821 38.265 1.00 33.42 C ATOM 189 H LEU A 37 17.892 111.073 38.872 1.00 0.00 H ATOM 190 N LEU A 38 15.411 113.144 39.984 1.00 28.03 N ATOM 191 CA LEU A 38 14.137 113.693 40.460 1.00 29.00 C ATOM 192 C LEU A 38 13.947 113.407 41.952 1.00 28.87 C ATOM 193 O LEU A 38 13.591 114.291 42.712 1.00 28.70 O ATOM 194 CB LEU A 38 12.964 113.159 39.642 1.00 28.96 C ATOM 195 CG LEU A 38 12.958 113.488 38.149 1.00 30.83 C ATOM 196 CD1 LEU A 38 11.838 112.729 37.459 1.00 32.27 C ATOM 197 CD2 LEU A 38 12.838 114.976 37.867 1.00 32.17 C ATOM 198 H LEU A 38 15.413 112.416 39.241 1.00 0.00 H ATOM 199 N LYS A 39 14.257 112.187 42.382 1.00 30.43 N ATOM 200 CA LYS A 39 14.141 111.848 43.800 1.00 32.72 C ATOM 201 C LYS A 39 15.103 112.598 44.721 1.00 31.70 C ATOM 202 O LYS A 39 14.753 112.854 45.873 1.00 31.13 O ATOM 203 CB LYS A 39 14.217 110.324 44.010 1.00 37.24 C ATOM 204 CG LYS A 39 13.092 109.607 43.282 1.00 40.32 C ATOM 205 CD LYS A 39 12.807 108.216 43.809 1.00 44.31 C ATOM 206 CE LYS A 39 11.510 107.705 43.204 1.00 47.07 C ATOM 207 NZ LYS A 39 11.185 106.324 43.649 1.00 50.41 N ATOM 208 HZ1 LYS A 39 11.950 105.680 43.363 1.00 0.00 H ATOM 209 HZ2 LYS A 39 11.086 106.309 44.684 1.00 0.00 H ATOM 210 HZ3 LYS A 39 10.292 106.021 43.210 1.00 0.00 H ATOM 211 H LYS A 39 14.584 111.469 41.705 1.00 0.00 H ATOM 212 N SER A 40 16.250 113.045 44.207 1.00 30.33 N ATOM 213 CA SER A 40 17.205 113.815 45.024 1.00 32.28 C ATOM 214 C SER A 40 16.700 115.209 45.417 1.00 31.40 C ATOM 215 O SER A 40 17.228 115.814 46.347 1.00 30.66 O ATOM 216 CB SER A 40 18.556 113.942 44.315 1.00 33.69 C ATOM 217 OG SER A 40 18.521 114.934 43.304 1.00 33.10 O ATOM 218 HG SER A 40 17.835 114.694 42.632 1.00 0.00 H ATOM 219 H SER A 40 16.475 112.846 43.211 1.00 0.00 H ATOM 220 N VAL A 41 15.690 115.718 44.701 1.00 29.49 N ATOM 221 CA VAL A 41 15.022 116.972 45.079 1.00 29.31 C ATOM 222 C VAL A 41 13.595 116.756 45.590 1.00 30.73 C ATOM 223 O VAL A 41 12.806 117.699 45.656 1.00 31.54 O ATOM 224 CB VAL A 41 15.071 118.012 43.927 1.00 28.89 C ATOM 225 CG1 VAL A 41 16.499 118.490 43.774 1.00 30.99 C ATOM 226 CG2 VAL A 41 14.551 117.432 42.616 1.00 29.86 C ATOM 227 H VAL A 41 15.368 115.211 43.852 1.00 0.00 H ATOM 228 N GLY A 42 13.286 115.515 45.985 1.00 29.98 N ATOM 229 CA GLY A 42 12.065 115.196 46.715 1.00 31.25 C ATOM 230 C GLY A 42 10.917 114.597 45.940 1.00 30.30 C ATOM 231 O GLY A 42 9.839 114.410 46.518 1.00 32.81 O ATOM 232 H GLY A 42 13.947 114.744 45.761 1.00 0.00 H ATOM 233 N ALA A 43 11.107 114.272 44.656 1.00 30.72 N ATOM 234 CA ALA A 43 10.050 113.621 43.886 1.00 31.76 C ATOM 235 C ALA A 43 9.899 112.205 44.460 1.00 37.95 C ATOM 236 O ALA A 43 10.867 111.626 44.950 1.00 38.89 O ATOM 237 CB ALA A 43 10.365 113.592 42.405 1.00 31.92 C ATOM 238 H ALA A 43 12.018 114.485 44.201 1.00 0.00 H ATOM 239 N GLN A 44 8.684 111.684 44.456 1.00 42.59 N ATOM 240 CA GLN A 44 8.394 110.486 45.246 1.00 47.04 C ATOM 241 C GLN A 44 7.513 109.463 44.538 1.00 45.62 C ATOM 242 O GLN A 44 6.919 108.602 45.190 1.00 47.91 O ATOM 243 CB GLN A 44 7.803 110.916 46.597 1.00 50.60 C ATOM 244 CG GLN A 44 6.695 111.953 46.498 1.00 54.06 C ATOM 245 CD GLN A 44 6.108 112.313 47.850 1.00 59.14 C ATOM 246 OE1 GLN A 44 6.828 112.729 48.763 1.00 63.39 O ATOM 247 NE2 GLN A 44 4.790 112.165 47.984 1.00 58.87 N ATOM 248 HE22 GLN A 44 4.223 111.811 47.187 1.00 0.00 H ATOM 249 HE21 GLN A 44 4.329 112.404 48.885 1.00 0.00 H ATOM 250 H GLN A 44 7.932 112.126 43.890 1.00 0.00 H ATOM 251 N LYS A 45 7.478 109.514 43.208 1.00 39.14 N ATOM 252 CA LYS A 45 6.727 108.549 42.411 1.00 39.80 C ATOM 253 C LYS A 45 7.554 108.065 41.225 1.00 37.61 C ATOM 254 O LYS A 45 8.671 108.531 41.010 1.00 36.31 O ATOM 255 CB LYS A 45 5.380 109.134 41.970 1.00 43.20 C ATOM 256 CG LYS A 45 5.427 110.505 41.320 1.00 45.21 C ATOM 257 CD LYS A 45 4.036 111.117 41.269 1.00 48.24 C ATOM 258 CE LYS A 45 4.009 112.387 40.434 1.00 48.69 C ATOM 259 NZ LYS A 45 2.629 112.930 40.399 1.00 49.68 N ATOM 260 HZ1 LYS A 45 1.991 112.225 39.978 1.00 0.00 H ATOM 261 HZ2 LYS A 45 2.318 113.146 41.368 1.00 0.00 H ATOM 262 HZ3 LYS A 45 2.614 113.799 39.827 1.00 0.00 H ATOM 263 H LYS A 45 8.004 110.267 42.720 1.00 0.00 H ATOM 264 N ASP A 46 7.021 107.095 40.488 1.00 36.02 N ATOM 265 CA ASP A 46 7.682 106.562 39.296 1.00 38.12 C ATOM 266 C ASP A 46 7.102 107.092 37.983 1.00 34.58 C ATOM 267 O ASP A 46 7.727 106.945 36.934 1.00 32.30 O ATOM 268 CB ASP A 46 7.658 105.024 39.331 1.00 44.67 C ATOM 269 CG ASP A 46 8.558 104.447 40.434 1.00 48.68 C ATOM 270 OD1 ASP A 46 8.867 105.156 41.421 1.00 54.99 O ATOM 271 OD2 ASP A 46 8.959 103.272 40.322 1.00 56.12 O ATOM 272 H ASP A 46 6.101 106.701 40.769 1.00 0.00 H ATOM 273 N THR A 47 5.926 107.715 38.047 1.00 32.89 N ATOM 274 CA THR A 47 5.197 108.174 36.877 1.00 32.00 C ATOM 275 C THR A 47 4.866 109.664 37.056 1.00 30.87 C ATOM 276 O THR A 47 4.399 110.061 38.113 1.00 30.72 O ATOM 277 CB THR A 47 3.918 107.330 36.724 1.00 35.59 C ATOM 278 OG1 THR A 47 4.282 105.939 36.670 1.00 38.69 O ATOM 279 CG2 THR A 47 3.209 107.660 35.474 1.00 37.60 C ATOM 280 HG1 THR A 47 3.465 105.389 36.572 1.00 0.00 H ATOM 281 H THR A 47 5.508 107.882 38.984 1.00 0.00 H ATOM 282 N TYR A 48 5.111 110.471 36.023 1.00 28.50 N ATOM 283 CA TYR A 48 4.929 111.938 36.094 1.00 27.34 C ATOM 284 C TYR A 48 4.340 112.464 34.811 1.00 25.58 C ATOM 285 O TYR A 48 4.444 111.843 33.764 1.00 27.02 O ATOM 286 CB TYR A 48 6.274 112.662 36.296 1.00 27.06 C ATOM 287 CG TYR A 48 7.002 112.269 37.535 1.00 28.68 C ATOM 288 CD1 TYR A 48 7.775 111.118 37.556 1.00 31.34 C ATOM 289 CD2 TYR A 48 6.890 113.008 38.695 1.00 30.73 C ATOM 290 CE1 TYR A 48 8.444 110.728 38.697 1.00 33.11 C ATOM 291 CE2 TYR A 48 7.564 112.626 39.846 1.00 32.35 C ATOM 292 CZ TYR A 48 8.340 111.484 39.828 1.00 31.75 C ATOM 293 OH TYR A 48 9.006 111.082 40.962 1.00 35.95 O ATOM 294 HH TYR A 48 9.509 110.251 40.771 1.00 0.00 H ATOM 295 H TYR A 48 5.444 110.052 35.131 1.00 0.00 H ATOM 296 N THR A 49 3.767 113.657 34.864 1.00 24.02 N ATOM 297 CA THR A 49 3.493 114.375 33.631 1.00 25.16 C ATOM 298 C THR A 49 4.794 115.052 33.177 1.00 24.60 C ATOM 299 O THR A 49 5.681 115.323 33.992 1.00 24.35 O ATOM 300 CB THR A 49 2.408 115.448 33.809 1.00 26.26 C ATOM 301 OG1 THR A 49 2.874 116.437 34.727 1.00 25.88 O ATOM 302 CG2 THR A 49 1.093 114.845 34.337 1.00 26.88 C ATOM 303 HG1 THR A 49 2.178 117.131 34.845 1.00 0.00 H ATOM 304 H THR A 49 3.515 114.077 35.782 1.00 0.00 H ATOM 305 N MET A 50 4.892 115.340 31.888 1.00 24.60 N ATOM 306 CA MET A 50 6.038 116.084 31.357 1.00 26.61 C ATOM 307 C MET A 50 6.218 117.403 32.100 1.00 25.30 C ATOM 308 O MET A 50 7.343 117.781 32.384 1.00 25.09 O ATOM 309 CB MET A 50 5.882 116.362 29.863 1.00 28.08 C ATOM 310 CG MET A 50 6.240 115.184 28.981 1.00 33.00 C ATOM 311 SD MET A 50 7.965 114.732 29.144 1.00 37.27 S ATOM 312 CE MET A 50 8.809 116.151 28.462 1.00 36.76 C ATOM 313 H MET A 50 4.140 115.032 31.239 1.00 0.00 H ATOM 314 N LYS A 51 5.113 118.066 32.426 1.00 26.01 N ATOM 315 CA LYS A 51 5.133 119.328 33.184 1.00 27.52 C ATOM 316 C LYS A 51 5.838 119.148 34.543 1.00 24.64 C ATOM 317 O LYS A 51 6.697 119.943 34.927 1.00 22.57 O ATOM 318 CB LYS A 51 3.700 119.838 33.360 1.00 32.95 C ATOM 319 CG LYS A 51 3.527 121.255 33.910 1.00 39.74 C ATOM 320 CD LYS A 51 2.031 121.594 33.974 1.00 43.53 C ATOM 321 CE LYS A 51 1.692 122.824 34.805 1.00 46.92 C ATOM 322 NZ LYS A 51 2.074 124.116 34.168 1.00 47.38 N ATOM 323 HZ1 LYS A 51 3.101 124.131 34.005 1.00 0.00 H ATOM 324 HZ2 LYS A 51 1.576 124.214 33.260 1.00 0.00 H ATOM 325 HZ3 LYS A 51 1.810 124.902 34.796 1.00 0.00 H ATOM 326 H LYS A 51 4.194 117.676 32.133 1.00 0.00 H ATOM 327 N GLU A 52 5.484 118.087 35.262 1.00 23.18 N ATOM 328 CA GLU A 52 6.100 117.787 36.545 1.00 23.07 C ATOM 329 C GLU A 52 7.588 117.499 36.430 1.00 22.53 C ATOM 330 O GLU A 52 8.364 117.919 37.293 1.00 21.40 O ATOM 331 CB GLU A 52 5.419 116.584 37.216 1.00 25.29 C ATOM 332 CG GLU A 52 4.022 116.867 37.720 1.00 28.39 C ATOM 333 CD GLU A 52 3.346 115.616 38.276 1.00 33.14 C ATOM 334 OE1 GLU A 52 3.296 114.582 37.570 1.00 31.71 O ATOM 335 OE2 GLU A 52 2.877 115.667 39.439 1.00 37.69 O ATOM 336 H GLU A 52 4.745 117.453 34.896 1.00 0.00 H ATOM 337 N VAL A 53 7.982 116.765 35.393 1.00 20.69 N ATOM 338 CA VAL A 53 9.385 116.471 35.169 1.00 22.17 C ATOM 339 C VAL A 53 10.144 117.794 34.990 1.00 21.38 C ATOM 340 O VAL A 53 11.188 117.998 35.616 1.00 21.57 O ATOM 341 CB VAL A 53 9.609 115.543 33.964 1.00 23.18 C ATOM 342 CG1 VAL A 53 11.094 115.374 33.636 1.00 24.46 C ATOM 343 CG2 VAL A 53 8.987 114.167 34.240 1.00 24.00 C ATOM 344 H VAL A 53 7.271 116.395 34.730 1.00 0.00 H ATOM 345 N LEU A 54 9.591 118.680 34.173 1.00 21.71 N ATOM 346 CA LEU A 54 10.239 119.982 33.925 1.00 22.59 C ATOM 347 C LEU A 54 10.304 120.874 35.154 1.00 20.59 C ATOM 348 O LEU A 54 11.304 121.597 35.325 1.00 20.77 O ATOM 349 CB LEU A 54 9.595 120.715 32.742 1.00 23.61 C ATOM 350 CG LEU A 54 10.194 120.396 31.367 1.00 24.06 C ATOM 351 CD1 LEU A 54 11.618 120.911 31.213 1.00 24.35 C ATOM 352 CD2 LEU A 54 10.171 118.908 31.039 1.00 25.80 C ATOM 353 H LEU A 54 8.691 118.455 33.702 1.00 0.00 H ATOM 354 N PHE A 55 9.273 120.845 36.001 1.00 19.54 N ATOM 355 CA PHE A 55 9.321 121.542 37.281 1.00 20.01 C ATOM 356 C PHE A 55 10.473 121.026 38.133 1.00 20.97 C ATOM 357 O PHE A 55 11.287 121.803 38.613 1.00 19.91 O ATOM 358 CB PHE A 55 8.014 121.397 38.092 1.00 20.85 C ATOM 359 CG PHE A 55 6.897 122.329 37.681 1.00 22.08 C ATOM 360 CD1 PHE A 55 7.110 123.696 37.578 1.00 22.42 C ATOM 361 CD2 PHE A 55 5.614 121.846 37.482 1.00 24.03 C ATOM 362 CE1 PHE A 55 6.076 124.558 37.242 1.00 23.87 C ATOM 363 CE2 PHE A 55 4.575 122.708 37.152 1.00 24.94 C ATOM 364 CZ PHE A 55 4.810 124.060 37.028 1.00 24.36 C ATOM 365 H PHE A 55 8.417 120.314 35.743 1.00 0.00 H ATOM 366 N TYR A 56 10.550 119.709 38.333 1.00 20.73 N ATOM 367 CA TYR A 56 11.605 119.153 39.193 1.00 22.12 C ATOM 368 C TYR A 56 13.016 119.335 38.611 1.00 21.48 C ATOM 369 O TYR A 56 13.961 119.576 39.361 1.00 22.28 O ATOM 370 CB TYR A 56 11.351 117.681 39.532 1.00 22.15 C ATOM 371 CG TYR A 56 10.422 117.455 40.714 1.00 24.24 C ATOM 372 CD1 TYR A 56 10.828 117.774 42.006 1.00 25.33 C ATOM 373 CD2 TYR A 56 9.159 116.899 40.545 1.00 26.06 C ATOM 374 CE1 TYR A 56 10.003 117.573 43.108 1.00 26.93 C ATOM 375 CE2 TYR A 56 8.318 116.691 41.647 1.00 27.27 C ATOM 376 CZ TYR A 56 8.754 117.021 42.920 1.00 27.89 C ATOM 377 OH TYR A 56 7.924 116.846 44.015 1.00 33.74 O ATOM 378 HH TYR A 56 8.398 117.132 44.836 1.00 0.00 H ATOM 379 H TYR A 56 9.862 119.074 37.880 1.00 0.00 H ATOM 380 N LEU A 57 13.156 119.279 37.288 1.00 21.97 N ATOM 381 CA LEU A 57 14.465 119.530 36.669 1.00 23.47 C ATOM 382 C LEU A 57 14.956 120.943 36.898 1.00 21.70 C ATOM 383 O LEU A 57 16.113 121.152 37.229 1.00 21.85 O ATOM 384 CB LEU A 57 14.442 119.268 35.160 1.00 26.09 C ATOM 385 CG LEU A 57 14.756 117.852 34.750 1.00 28.49 C ATOM 386 CD1 LEU A 57 14.524 117.732 33.249 1.00 29.29 C ATOM 387 CD2 LEU A 57 16.204 117.525 35.111 1.00 29.10 C ATOM 388 H LEU A 57 12.335 119.057 36.690 1.00 0.00 H ATOM 389 N GLY A 58 14.071 121.914 36.693 1.00 20.57 N ATOM 390 CA GLY A 58 14.388 123.315 36.964 1.00 21.08 C ATOM 391 C GLY A 58 14.765 123.522 38.414 1.00 20.16 C ATOM 392 O GLY A 58 15.771 124.178 38.732 1.00 20.76 O ATOM 393 H GLY A 58 13.127 121.670 36.330 1.00 0.00 H ATOM 394 N GLN A 59 13.985 122.912 39.304 1.00 19.80 N ATOM 395 CA GLN A 59 14.268 122.989 40.716 1.00 20.50 C ATOM 396 C GLN A 59 15.629 122.410 41.041 1.00 19.84 C ATOM 397 O GLN A 59 16.377 123.005 41.783 1.00 21.32 O ATOM 398 CB GLN A 59 13.173 122.260 41.497 1.00 20.06 C ATOM 399 CG GLN A 59 13.301 122.295 42.998 1.00 21.60 C ATOM 400 CD GLN A 59 12.025 121.851 43.654 1.00 22.37 C ATOM 401 OE1 GLN A 59 10.966 122.398 43.375 1.00 21.91 O ATOM 402 NE2 GLN A 59 12.102 120.807 44.494 1.00 22.60 N ATOM 403 HE22 GLN A 59 13.024 120.374 44.702 1.00 0.00 H ATOM 404 HE21 GLN A 59 11.239 120.431 44.937 1.00 0.00 H ATOM 405 H GLN A 59 13.159 122.372 38.976 1.00 0.00 H ATOM 406 N TYR A 60 15.942 121.254 40.464 1.00 21.77 N ATOM 407 CA TYR A 60 17.229 120.589 40.650 1.00 22.27 C ATOM 408 C TYR A 60 18.383 121.526 40.268 1.00 22.78 C ATOM 409 O TYR A 60 19.307 121.739 41.042 1.00 23.16 O ATOM 410 CB TYR A 60 17.277 119.305 39.823 1.00 23.43 C ATOM 411 CG TYR A 60 18.611 118.595 39.873 1.00 25.58 C ATOM 412 CD1 TYR A 60 18.880 117.668 40.877 1.00 27.31 C ATOM 413 CD2 TYR A 60 19.607 118.861 38.931 1.00 25.00 C ATOM 414 CE1 TYR A 60 20.111 117.030 40.956 1.00 28.31 C ATOM 415 CE2 TYR A 60 20.848 118.234 39.006 1.00 28.11 C ATOM 416 CZ TYR A 60 21.084 117.310 40.017 1.00 27.83 C ATOM 417 OH TYR A 60 22.291 116.650 40.082 1.00 29.59 O ATOM 418 HH TYR A 60 23.021 117.310 40.186 1.00 0.00 H ATOM 419 H TYR A 60 15.236 120.801 39.850 1.00 0.00 H ATOM 420 N ILE A 61 18.298 122.127 39.093 1.00 20.73 N ATOM 421 CA ILE A 61 19.370 122.985 38.615 1.00 21.86 C ATOM 422 C ILE A 61 19.593 124.160 39.563 1.00 21.19 C ATOM 423 O ILE A 61 20.739 124.505 39.879 1.00 23.18 O ATOM 424 CB ILE A 61 19.111 123.454 37.157 1.00 21.84 C ATOM 425 CG1 ILE A 61 19.218 122.249 36.222 1.00 22.03 C ATOM 426 CG2 ILE A 61 20.060 124.569 36.777 1.00 23.37 C ATOM 427 CD1 ILE A 61 18.564 122.446 34.856 1.00 22.32 C ATOM 428 H ILE A 61 17.453 121.984 38.503 1.00 0.00 H ATOM 429 N ALA A 62 18.505 124.752 40.045 1.00 21.33 N ATOM 430 CA ALA A 62 18.602 125.829 41.018 1.00 22.79 C ATOM 431 C ALA A 62 19.182 125.354 42.362 1.00 23.22 C ATOM 432 O ALA A 62 20.052 126.027 42.921 1.00 25.27 O ATOM 433 CB ALA A 62 17.260 126.530 41.211 1.00 22.83 C ATOM 434 H ALA A 62 17.568 124.440 39.721 1.00 0.00 H ATOM 435 N THR A 63 18.774 124.184 42.846 1.00 23.54 N ATOM 436 CA THR A 63 19.277 123.689 44.143 1.00 24.67 C ATOM 437 C THR A 63 20.770 123.408 44.126 1.00 27.29 C ATOM 438 O THR A 63 21.453 123.604 45.135 1.00 29.61 O ATOM 439 CB THR A 63 18.566 122.411 44.648 1.00 26.44 C ATOM 440 OG1 THR A 63 18.926 121.256 43.841 1.00 30.75 O ATOM 441 CG2 THR A 63 17.077 122.638 44.714 1.00 27.72 C ATOM 442 HG1 THR A 63 18.660 121.416 42.901 1.00 0.00 H ATOM 443 H THR A 63 18.094 123.612 42.305 1.00 0.00 H ATOM 444 N LYS A 64 21.258 122.950 42.976 1.00 26.88 N ATOM 445 CA LYS A 64 22.667 122.659 42.764 1.00 28.45 C ATOM 446 C LYS A 64 23.471 123.874 42.267 1.00 28.24 C ATOM 447 O LYS A 64 24.686 123.765 42.124 1.00 28.45 O ATOM 448 CB LYS A 64 22.824 121.489 41.790 1.00 30.13 C ATOM 449 CG LYS A 64 22.154 120.160 42.153 1.00 34.72 C ATOM 450 CD LYS A 64 22.639 119.513 43.442 1.00 40.09 C ATOM 451 CE LYS A 64 24.002 118.856 43.301 1.00 42.42 C ATOM 452 NZ LYS A 64 23.947 117.510 42.654 1.00 46.28 N ATOM 453 HZ1 LYS A 64 23.351 116.877 43.225 1.00 0.00 H ATOM 454 HZ2 LYS A 64 23.543 117.602 41.700 1.00 0.00 H ATOM 455 HZ3 LYS A 64 24.908 117.119 42.589 1.00 0.00 H ATOM 456 H LYS A 64 20.598 122.792 42.188 1.00 0.00 H ATOM 457 N ARG A 65 22.813 125.009 41.997 1.00 27.07 N ATOM 458 CA ARG A 65 23.456 126.266 41.596 1.00 29.01 C ATOM 459 C ARG A 65 24.303 126.078 40.345 1.00 28.04 C ATOM 460 O ARG A 65 25.428 126.576 40.271 1.00 28.77 O ATOM 461 CB ARG A 65 24.323 126.841 42.723 1.00 34.32 C ATOM 462 CG ARG A 65 23.577 127.058 44.022 1.00 38.72 C ATOM 463 CD ARG A 65 24.379 127.914 45.000 1.00 43.25 C ATOM 464 NE ARG A 65 23.906 127.696 46.368 1.00 49.87 N ATOM 465 CZ ARG A 65 23.896 128.598 47.355 1.00 55.29 C ATOM 466 NH1 ARG A 65 24.344 129.846 47.181 1.00 58.96 N ATOM 467 NH2 ARG A 65 23.422 128.241 48.550 1.00 58.64 N ATOM 468 HE ARG A 65 23.543 126.748 46.594 1.00 0.00 H ATOM 469 HH12 ARG A 65 24.321 130.522 47.971 1.00 0.00 H ATOM 470 HH11 ARG A 65 24.715 130.141 46.255 1.00 0.00 H ATOM 471 HH22 ARG A 65 23.406 128.929 49.330 1.00 0.00 H ATOM 472 HH21 ARG A 65 23.068 127.275 48.702 1.00 0.00 H ATOM 473 H ARG A 65 21.776 124.999 42.077 1.00 0.00 H ATOM 474 N LEU A 66 23.757 125.365 39.362 1.00 23.55 N ATOM 475 CA LEU A 66 24.516 125.044 38.159 1.00 23.10 C ATOM 476 C LEU A 66 24.435 126.122 37.075 1.00 22.05 C ATOM 477 O LEU A 66 25.139 126.025 36.082 1.00 21.96 O ATOM 478 CB LEU A 66 24.063 123.699 37.604 1.00 23.12 C ATOM 479 CG LEU A 66 24.263 122.484 38.509 1.00 25.52 C ATOM 480 CD1 LEU A 66 23.696 121.246 37.840 1.00 25.82 C ATOM 481 CD2 LEU A 66 25.729 122.286 38.853 1.00 26.91 C ATOM 482 H LEU A 66 22.776 125.032 39.453 1.00 0.00 H ATOM 483 N TYR A 67 23.581 127.123 37.269 1.00 20.15 N ATOM 484 CA TYR A 67 23.445 128.221 36.305 1.00 21.75 C ATOM 485 C TYR A 67 24.537 129.271 36.538 1.00 22.68 C ATOM 486 O TYR A 67 24.969 129.511 37.680 1.00 21.20 O ATOM 487 CB TYR A 67 22.041 128.849 36.346 1.00 22.00 C ATOM 488 CG TYR A 67 21.656 129.466 37.657 1.00 23.22 C ATOM 489 CD1 TYR A 67 21.952 130.802 37.940 1.00 22.59 C ATOM 490 CD2 TYR A 67 20.998 128.727 38.635 1.00 23.61 C ATOM 491 CE1 TYR A 67 21.606 131.376 39.158 1.00 23.96 C ATOM 492 CE2 TYR A 67 20.651 129.297 39.859 1.00 24.77 C ATOM 493 CZ TYR A 67 20.959 130.622 40.118 1.00 25.06 C ATOM 494 OH TYR A 67 20.619 131.190 41.339 1.00 27.45 O ATOM 495 HH TYR A 67 20.911 132.136 41.354 1.00 0.00 H ATOM 496 H TYR A 67 22.994 127.128 38.127 1.00 0.00 H ATOM 497 N ASP A 68 24.953 129.936 35.464 1.00 21.23 N ATOM 498 CA ASP A 68 25.891 131.056 35.591 1.00 23.90 C ATOM 499 C ASP A 68 25.168 132.250 36.179 1.00 24.70 C ATOM 500 O ASP A 68 24.159 132.665 35.621 1.00 24.07 O ATOM 501 CB ASP A 68 26.431 131.437 34.216 1.00 24.11 C ATOM 502 CG ASP A 68 27.607 132.392 34.312 1.00 26.50 C ATOM 503 OD1 ASP A 68 27.419 133.532 34.771 1.00 31.70 O ATOM 504 OD2 ASP A 68 28.702 131.984 33.948 1.00 26.25 O ATOM 505 H ASP A 68 24.609 129.658 34.523 1.00 0.00 H ATOM 506 N GLU A 69 25.667 132.817 37.285 1.00 26.21 N ATOM 507 CA GLU A 69 24.950 133.940 37.933 1.00 27.98 C ATOM 508 C GLU A 69 24.839 135.185 37.055 1.00 28.05 C ATOM 509 O GLU A 69 23.883 135.959 37.186 1.00 25.48 O ATOM 510 CB GLU A 69 25.576 134.312 39.281 1.00 32.11 C ATOM 511 CG GLU A 69 25.147 133.412 40.440 1.00 36.30 C ATOM 512 CD GLU A 69 25.289 134.074 41.815 1.00 42.95 C ATOM 513 OE1 GLU A 69 25.377 133.332 42.816 1.00 48.99 O ATOM 514 OE2 GLU A 69 25.316 135.323 41.903 1.00 48.17 O ATOM 515 H GLU A 69 26.559 132.468 37.690 1.00 0.00 H ATOM 516 N LYS A 70 25.811 135.380 36.165 1.00 27.99 N ATOM 517 CA LYS A 70 25.856 136.565 35.309 1.00 28.87 C ATOM 518 C LYS A 70 24.985 136.437 34.060 1.00 28.23 C ATOM 519 O LYS A 70 24.324 137.393 33.682 1.00 29.02 O ATOM 520 CB LYS A 70 27.322 136.876 34.928 1.00 31.18 C ATOM 521 CG LYS A 70 27.519 138.088 34.030 1.00 34.98 C ATOM 522 CD LYS A 70 27.228 139.397 34.749 1.00 39.07 C ATOM 523 CE LYS A 70 27.360 140.583 33.802 1.00 42.79 C ATOM 524 NZ LYS A 70 26.746 141.820 34.353 1.00 46.45 N ATOM 525 HZ1 LYS A 70 25.733 141.656 34.524 1.00 0.00 H ATOM 526 HZ2 LYS A 70 27.214 142.069 35.248 1.00 0.00 H ATOM 527 HZ3 LYS A 70 26.863 142.597 33.671 1.00 0.00 H ATOM 528 H LYS A 70 26.562 134.666 36.076 1.00 0.00 H ATOM 529 N GLN A 71 25.004 135.265 33.416 1.00 27.75 N ATOM 530 CA GLN A 71 24.165 134.974 32.236 1.00 28.14 C ATOM 531 C GLN A 71 23.413 133.663 32.515 1.00 24.59 C ATOM 532 O GLN A 71 23.907 132.544 32.281 1.00 22.43 O ATOM 533 CB GLN A 71 24.992 134.878 30.942 1.00 32.76 C ATOM 534 CG GLN A 71 25.599 136.204 30.444 1.00 37.05 C ATOM 535 CD GLN A 71 24.606 137.349 30.210 1.00 43.16 C ATOM 536 OE1 GLN A 71 23.509 137.168 29.649 1.00 42.79 O ATOM 537 NE2 GLN A 71 25.002 138.556 30.629 1.00 46.72 N ATOM 538 HE22 GLN A 71 25.926 138.668 31.094 1.00 0.00 H ATOM 539 HE21 GLN A 71 24.386 139.383 30.490 1.00 0.00 H ATOM 540 H GLN A 71 25.642 134.521 33.764 1.00 0.00 H ATOM 541 N GLN A 72 22.218 133.827 33.065 1.00 22.67 N ATOM 542 CA GLN A 72 21.565 132.732 33.784 1.00 20.91 C ATOM 543 C GLN A 72 20.914 131.686 32.898 1.00 21.55 C ATOM 544 O GLN A 72 20.331 130.739 33.396 1.00 19.99 O ATOM 545 CB GLN A 72 20.611 133.295 34.827 1.00 21.13 C ATOM 546 CG GLN A 72 21.299 134.233 35.804 1.00 21.29 C ATOM 547 CD GLN A 72 20.631 134.333 37.157 1.00 21.81 C ATOM 548 OE1 GLN A 72 19.519 133.828 37.373 1.00 20.40 O ATOM 549 NE2 GLN A 72 21.316 135.014 38.096 1.00 23.36 N ATOM 550 HE22 GLN A 72 22.246 135.420 37.869 1.00 0.00 H ATOM 551 HE21 GLN A 72 20.915 135.133 39.048 1.00 0.00 H ATOM 552 H GLN A 72 21.738 134.746 32.985 1.00 0.00 H ATOM 553 N HIS A 73 20.996 131.855 31.588 1.00 19.89 N ATOM 554 CA HIS A 73 20.652 130.802 30.646 1.00 21.15 C ATOM 555 C HIS A 73 21.721 129.727 30.489 1.00 21.03 C ATOM 556 O HIS A 73 21.440 128.702 29.884 1.00 20.72 O ATOM 557 CB HIS A 73 20.306 131.395 29.264 1.00 23.38 C ATOM 558 CG HIS A 73 21.455 132.067 28.584 1.00 24.23 C ATOM 559 ND1 HIS A 73 22.202 131.455 27.598 1.00 26.55 N ATOM 560 CD2 HIS A 73 21.999 133.297 28.759 1.00 26.74 C ATOM 561 CE1 HIS A 73 23.154 132.283 27.195 1.00 27.04 C ATOM 562 NE2 HIS A 73 23.059 133.403 27.891 1.00 27.53 N ATOM 563 H HIS A 73 21.318 132.773 31.219 1.00 0.00 H ATOM 564 N ILE A 74 22.937 129.941 31.004 1.00 19.62 N ATOM 565 CA ILE A 74 24.012 128.972 30.875 1.00 20.78 C ATOM 566 C ILE A 74 23.997 128.010 32.051 1.00 20.97 C ATOM 567 O ILE A 74 24.056 128.443 33.212 1.00 21.61 O ATOM 568 CB ILE A 74 25.391 129.661 30.845 1.00 23.90 C ATOM 569 CG1 ILE A 74 25.465 130.658 29.679 1.00 26.25 C ATOM 570 CG2 ILE A 74 26.507 128.637 30.720 1.00 24.31 C ATOM 571 CD1 ILE A 74 26.565 131.672 29.875 1.00 29.88 C ATOM 572 H ILE A 74 23.119 130.829 31.513 1.00 0.00 H ATOM 573 N VAL A 75 23.959 126.724 31.745 1.00 20.54 N ATOM 574 CA VAL A 75 24.020 125.661 32.757 1.00 21.65 C ATOM 575 C VAL A 75 25.289 124.843 32.521 1.00 21.47 C ATOM 576 O VAL A 75 25.527 124.356 31.413 1.00 22.36 O ATOM 577 CB VAL A 75 22.791 124.725 32.662 1.00 21.88 C ATOM 578 CG1 VAL A 75 22.885 123.612 33.696 1.00 21.83 C ATOM 579 CG2 VAL A 75 21.501 125.519 32.847 1.00 21.70 C ATOM 580 H VAL A 75 23.883 126.453 30.744 1.00 0.00 H ATOM 581 N TYR A 76 26.077 124.672 33.578 1.00 21.08 N ATOM 582 CA TYR A 76 27.295 123.862 33.553 1.00 22.41 C ATOM 583 C TYR A 76 27.010 122.549 34.262 1.00 23.68 C ATOM 584 O TYR A 76 26.489 122.558 35.346 1.00 25.71 O ATOM 585 CB TYR A 76 28.403 124.567 34.320 1.00 22.86 C ATOM 586 CG TYR A 76 28.737 125.958 33.846 1.00 22.99 C ATOM 587 CD1 TYR A 76 29.666 126.174 32.824 1.00 23.86 C ATOM 588 CD2 TYR A 76 28.160 127.059 34.450 1.00 24.02 C ATOM 589 CE1 TYR A 76 29.993 127.458 32.423 1.00 25.34 C ATOM 590 CE2 TYR A 76 28.483 128.346 34.056 1.00 24.38 C ATOM 591 CZ TYR A 76 29.389 128.539 33.044 1.00 25.54 C ATOM 592 OH TYR A 76 29.675 129.834 32.686 1.00 27.69 O ATOM 593 HH TYR A 76 30.047 130.316 33.466 1.00 0.00 H ATOM 594 H TYR A 76 25.814 125.139 34.469 1.00 0.00 H ATOM 595 N CYS A 77 27.342 121.423 33.660 1.00 24.18 N ATOM 596 CA CYS A 77 26.976 120.137 34.290 1.00 26.16 C ATOM 597 C CYS A 77 27.996 119.016 34.107 1.00 29.01 C ATOM 598 O CYS A 77 27.665 117.843 34.331 1.00 29.12 O ATOM 599 CB CYS A 77 25.587 119.715 33.801 1.00 26.16 C ATOM 600 SG CYS A 77 25.304 119.814 32.032 1.00 29.06 S ATOM 601 H CYS A 77 27.854 121.440 32.755 1.00 0.00 H ATOM 602 N SER A 78 29.237 119.361 33.761 1.00 30.66 N ATOM 603 CA SER A 78 30.256 118.338 33.494 1.00 33.37 C ATOM 604 C SER A 78 30.570 117.494 34.736 1.00 33.42 C ATOM 605 O SER A 78 30.780 116.284 34.612 1.00 37.32 O ATOM 606 CB SER A 78 31.534 118.966 32.936 1.00 35.66 C ATOM 607 OG SER A 78 32.348 117.991 32.308 1.00 44.37 O ATOM 608 HG SER A 78 33.167 118.423 31.956 1.00 0.00 H ATOM 609 H SER A 78 29.486 120.367 33.679 1.00 0.00 H ATOM 610 N ASN A 79 30.561 118.112 35.917 1.00 31.98 N ATOM 611 CA ASN A 79 30.838 117.415 37.182 1.00 35.11 C ATOM 612 C ASN A 79 29.566 117.057 37.955 1.00 33.67 C ATOM 613 O ASN A 79 29.603 116.925 39.175 1.00 35.49 O ATOM 614 CB ASN A 79 31.759 118.269 38.071 1.00 37.61 C ATOM 615 CG ASN A 79 32.452 117.456 39.169 1.00 38.92 C ATOM 616 OD1 ASN A 79 32.838 116.312 38.953 1.00 38.92 O ATOM 617 ND2 ASN A 79 32.609 118.053 40.345 1.00 39.54 N ATOM 618 HD22 ASN A 79 32.266 119.025 40.485 1.00 0.00 H ATOM 619 HD21 ASN A 79 33.075 117.549 41.126 1.00 0.00 H ATOM 620 H ASN A 79 30.349 119.130 35.945 1.00 0.00 H ATOM 621 N ASP A 80 28.442 116.902 37.254 1.00 30.72 N ATOM 622 CA ASP A 80 27.163 116.656 37.910 1.00 30.35 C ATOM 623 C ASP A 80 26.445 115.493 37.241 1.00 29.00 C ATOM 624 O ASP A 80 26.633 115.247 36.053 1.00 27.68 O ATOM 625 CB ASP A 80 26.272 117.907 37.847 1.00 29.80 C ATOM 626 CG ASP A 80 25.097 117.829 38.814 1.00 31.74 C ATOM 627 OD1 ASP A 80 25.264 118.179 39.994 1.00 33.83 O ATOM 628 OD2 ASP A 80 24.015 117.392 38.392 1.00 31.55 O ATOM 629 H ASP A 80 28.478 116.958 36.216 1.00 0.00 H ATOM 630 N LEU A 81 25.596 114.819 38.015 1.00 30.06 N ATOM 631 CA LEU A 81 24.638 113.826 37.513 1.00 31.26 C ATOM 632 C LEU A 81 23.895 114.273 36.252 1.00 29.34 C ATOM 633 O LEU A 81 23.691 113.496 35.337 1.00 28.62 O ATOM 634 CB LEU A 81 23.624 113.518 38.627 1.00 34.58 C ATOM 635 CG LEU A 81 22.437 112.597 38.348 1.00 38.93 C ATOM 636 CD1 LEU A 81 22.916 111.232 37.872 1.00 41.05 C ATOM 637 CD2 LEU A 81 21.577 112.475 39.603 1.00 39.30 C ATOM 638 H LEU A 81 25.613 115.008 39.038 1.00 0.00 H ATOM 639 N LEU A 82 23.476 115.534 36.219 1.00 27.50 N ATOM 640 CA LEU A 82 22.761 116.058 35.057 1.00 27.46 C ATOM 641 C LEU A 82 23.570 115.925 33.756 1.00 26.60 C ATOM 642 O LEU A 82 23.007 115.615 32.702 1.00 27.44 O ATOM 643 CB LEU A 82 22.335 117.512 35.289 1.00 26.59 C ATOM 644 CG LEU A 82 21.590 118.146 34.113 1.00 27.24 C ATOM 645 CD1 LEU A 82 20.291 117.413 33.749 1.00 28.18 C ATOM 646 CD2 LEU A 82 21.342 119.614 34.428 1.00 27.10 C ATOM 647 H LEU A 82 23.660 116.157 37.032 1.00 0.00 H ATOM 648 N GLY A 83 24.875 116.163 33.825 1.00 27.91 N ATOM 649 CA GLY A 83 25.745 115.975 32.660 1.00 29.17 C ATOM 650 C GLY A 83 25.828 114.519 32.216 1.00 31.45 C ATOM 651 O GLY A 83 25.890 114.238 31.022 1.00 32.21 O ATOM 652 H GLY A 83 25.287 116.489 34.722 1.00 0.00 H ATOM 653 N ASP A 84 25.823 113.599 33.177 1.00 33.86 N ATOM 654 CA ASP A 84 25.835 112.161 32.850 1.00 36.10 C ATOM 655 C ASP A 84 24.577 111.761 32.066 1.00 37.09 C ATOM 656 O ASP A 84 24.667 111.089 31.038 1.00 37.05 O ATOM 657 CB ASP A 84 25.991 111.282 34.111 1.00 39.39 C ATOM 658 CG ASP A 84 27.291 111.549 34.881 1.00 43.85 C ATOM 659 OD1 ASP A 84 28.263 112.063 34.291 1.00 44.66 O ATOM 660 OD2 ASP A 84 27.342 111.235 36.093 1.00 48.93 O ATOM 661 H ASP A 84 25.810 113.898 34.173 1.00 0.00 H ATOM 662 N LEU A 85 23.407 112.218 32.502 1.00 36.13 N ATOM 663 CA LEU A 85 22.161 111.819 31.818 1.00 36.10 C ATOM 664 C LEU A 85 21.859 112.594 30.530 1.00 34.29 C ATOM 665 O LEU A 85 21.309 112.022 29.585 1.00 34.93 O ATOM 666 CB LEU A 85 20.993 111.794 32.801 1.00 41.27 C ATOM 667 CG LEU A 85 20.443 113.065 33.415 1.00 41.25 C ATOM 668 CD1 LEU A 85 19.151 113.465 32.721 1.00 42.39 C ATOM 669 CD2 LEU A 85 20.173 112.852 34.897 1.00 43.86 C ATOM 670 H LEU A 85 23.370 112.855 33.323 1.00 0.00 H ATOM 671 N PHE A 86 22.249 113.870 30.446 1.00 31.00 N ATOM 672 CA PHE A 86 22.118 114.609 29.188 1.00 30.29 C ATOM 673 C PHE A 86 23.206 114.288 28.162 1.00 31.54 C ATOM 674 O PHE A 86 22.982 114.472 26.952 1.00 34.51 O ATOM 675 CB PHE A 86 22.087 116.125 29.433 1.00 30.44 C ATOM 676 CG PHE A 86 20.740 116.681 29.825 1.00 29.66 C ATOM 677 CD1 PHE A 86 19.626 115.866 30.076 1.00 29.79 C ATOM 678 CD2 PHE A 86 20.598 118.053 29.970 1.00 28.47 C ATOM 679 CE1 PHE A 86 18.414 116.423 30.448 1.00 29.77 C ATOM 680 CE2 PHE A 86 19.387 118.612 30.334 1.00 29.97 C ATOM 681 CZ PHE A 86 18.294 117.801 30.578 1.00 30.03 C ATOM 682 H PHE A 86 22.649 114.342 31.282 1.00 0.00 H ATOM 683 N GLY A 87 24.365 113.828 28.623 1.00 31.08 N ATOM 684 CA GLY A 87 25.504 113.549 27.747 1.00 32.01 C ATOM 685 C GLY A 87 26.214 114.769 27.192 1.00 33.21 C ATOM 686 O GLY A 87 26.845 114.699 26.125 1.00 35.81 O ATOM 687 H GLY A 87 24.466 113.660 29.644 1.00 0.00 H ATOM 688 N VAL A 88 26.124 115.885 27.915 1.00 33.44 N ATOM 689 CA VAL A 88 26.766 117.146 27.532 1.00 31.03 C ATOM 690 C VAL A 88 27.450 117.772 28.745 1.00 30.76 C ATOM 691 O VAL A 88 27.011 117.565 29.879 1.00 30.34 O ATOM 692 CB VAL A 88 25.767 118.171 26.930 1.00 33.62 C ATOM 693 CG1 VAL A 88 25.136 117.618 25.667 1.00 35.17 C ATOM 694 CG2 VAL A 88 24.696 118.576 27.943 1.00 33.16 C ATOM 695 H VAL A 88 25.570 115.860 28.795 1.00 0.00 H ATOM 696 N PRO A 89 28.509 118.568 28.515 1.00 29.61 N ATOM 697 CA PRO A 89 29.208 119.272 29.606 1.00 28.66 C ATOM 698 C PRO A 89 28.557 120.606 30.032 1.00 27.10 C ATOM 699 O PRO A 89 28.767 121.076 31.160 1.00 25.87 O ATOM 700 CB PRO A 89 30.603 119.500 29.022 1.00 29.61 C ATOM 701 CG PRO A 89 30.389 119.576 27.554 1.00 30.27 C ATOM 702 CD PRO A 89 29.213 118.722 27.223 1.00 31.01 C ATOM 703 N SER A 90 27.801 121.216 29.128 1.00 26.42 N ATOM 704 CA SER A 90 27.041 122.435 29.428 1.00 25.73 C ATOM 705 C SER A 90 25.975 122.585 28.387 1.00 24.39 C ATOM 706 O SER A 90 26.006 121.904 27.358 1.00 24.44 O ATOM 707 CB SER A 90 27.942 123.667 29.416 1.00 26.57 C ATOM 708 OG SER A 90 28.520 123.881 28.126 1.00 26.23 O ATOM 709 HG SER A 90 29.063 123.093 27.874 1.00 0.00 H ATOM 710 H SER A 90 27.745 120.815 28.170 1.00 0.00 H ATOM 711 N PHE A 91 25.034 123.488 28.623 1.00 23.60 N ATOM 712 CA PHE A 91 24.026 123.809 27.613 1.00 23.57 C ATOM 713 C PHE A 91 23.403 125.162 27.929 1.00 23.95 C ATOM 714 O PHE A 91 23.603 125.717 29.020 1.00 23.07 O ATOM 715 CB PHE A 91 22.971 122.686 27.513 1.00 24.16 C ATOM 716 CG PHE A 91 22.157 122.490 28.761 1.00 24.37 C ATOM 717 CD1 PHE A 91 22.581 121.611 29.755 1.00 23.72 C ATOM 718 CD2 PHE A 91 20.963 123.180 28.941 1.00 24.17 C ATOM 719 CE1 PHE A 91 21.831 121.421 30.904 1.00 23.35 C ATOM 720 CE2 PHE A 91 20.202 123.000 30.096 1.00 23.78 C ATOM 721 CZ PHE A 91 20.642 122.118 31.074 1.00 23.15 C ATOM 722 H PHE A 91 25.012 123.976 29.541 1.00 0.00 H ATOM 723 N SER A 92 22.652 125.690 26.970 1.00 22.85 N ATOM 724 CA SER A 92 21.894 126.926 27.166 1.00 21.98 C ATOM 725 C SER A 92 20.410 126.572 27.306 1.00 21.48 C ATOM 726 O SER A 92 19.869 125.789 26.509 1.00 22.85 O ATOM 727 CB SER A 92 22.106 127.909 26.009 1.00 23.12 C ATOM 728 OG SER A 92 21.183 128.978 26.062 1.00 23.55 O ATOM 729 HG SER A 92 21.347 129.592 25.303 1.00 0.00 H ATOM 730 H SER A 92 22.601 125.209 26.049 1.00 0.00 H ATOM 731 N VAL A 93 19.749 127.195 28.277 1.00 21.68 N ATOM 732 CA VAL A 93 18.326 127.014 28.502 1.00 21.15 C ATOM 733 C VAL A 93 17.532 127.493 27.271 1.00 22.98 C ATOM 734 O VAL A 93 16.413 127.048 27.071 1.00 24.42 O ATOM 735 CB VAL A 93 17.838 127.746 29.784 1.00 21.40 C ATOM 736 CG1 VAL A 93 16.332 127.601 29.982 1.00 21.43 C ATOM 737 CG2 VAL A 93 18.594 127.237 31.014 1.00 21.82 C ATOM 738 H VAL A 93 20.274 127.840 28.902 1.00 0.00 H ATOM 739 N LYS A 94 18.119 128.386 26.460 1.00 22.61 N ATOM 740 CA LYS A 94 17.492 128.859 25.215 1.00 25.26 C ATOM 741 C LYS A 94 17.383 127.798 24.113 1.00 25.79 C ATOM 742 O LYS A 94 16.636 127.989 23.131 1.00 27.34 O ATOM 743 CB LYS A 94 18.269 130.062 24.658 1.00 26.54 C ATOM 744 CG LYS A 94 18.345 131.264 25.582 1.00 29.16 C ATOM 745 CD LYS A 94 19.179 132.373 24.949 1.00 32.91 C ATOM 746 CE LYS A 94 18.922 133.704 25.605 1.00 36.74 C ATOM 747 NZ LYS A 94 19.790 134.744 24.977 1.00 36.95 N ATOM 748 HZ1 LYS A 94 20.789 134.482 25.102 1.00 0.00 H ATOM 749 HZ2 LYS A 94 19.572 134.809 23.962 1.00 0.00 H ATOM 750 HZ3 LYS A 94 19.612 135.663 25.431 1.00 0.00 H ATOM 751 H LYS A 94 19.054 128.759 26.721 1.00 0.00 H ATOM 752 N GLU A 95 18.104 126.693 24.249 1.00 24.67 N ATOM 753 CA GLU A 95 18.086 125.625 23.248 1.00 27.43 C ATOM 754 C GLU A 95 16.917 124.683 23.508 1.00 25.74 C ATOM 755 O GLU A 95 17.119 123.530 23.886 1.00 25.80 O ATOM 756 CB GLU A 95 19.402 124.857 23.266 1.00 29.65 C ATOM 757 CG GLU A 95 20.653 125.684 23.037 1.00 32.35 C ATOM 758 CD GLU A 95 21.917 124.841 23.124 1.00 36.17 C ATOM 759 OE1 GLU A 95 22.441 124.573 24.247 1.00 36.92 O ATOM 760 OE2 GLU A 95 22.387 124.415 22.047 1.00 40.77 O ATOM 761 H GLU A 95 18.701 126.582 25.093 1.00 0.00 H ATOM 762 N HIS A 96 15.696 125.175 23.278 1.00 25.85 N ATOM 763 CA HIS A 96 14.491 124.456 23.718 1.00 26.94 C ATOM 764 C HIS A 96 14.434 123.047 23.100 1.00 28.40 C ATOM 765 O HIS A 96 14.253 122.076 23.808 1.00 26.25 O ATOM 766 CB HIS A 96 13.206 125.276 23.433 1.00 27.72 C ATOM 767 CG HIS A 96 13.043 126.496 24.304 1.00 26.75 C ATOM 768 ND1 HIS A 96 11.923 127.298 24.268 1.00 27.56 N ATOM 769 CD2 HIS A 96 13.856 127.036 25.247 1.00 27.70 C ATOM 770 CE1 HIS A 96 12.063 128.296 25.127 1.00 27.08 C ATOM 771 NE2 HIS A 96 13.234 128.163 25.731 1.00 26.76 N ATOM 772 H HIS A 96 15.596 126.082 22.779 1.00 0.00 H ATOM 773 N ARG A 97 14.652 122.937 21.793 1.00 29.15 N ATOM 774 CA ARG A 97 14.529 121.645 21.107 1.00 31.63 C ATOM 775 C ARG A 97 15.530 120.637 21.589 1.00 30.58 C ATOM 776 O ARG A 97 15.197 119.462 21.806 1.00 29.58 O ATOM 777 CB ARG A 97 14.748 121.800 19.610 1.00 35.70 C ATOM 778 CG ARG A 97 13.721 122.647 18.902 1.00 40.18 C ATOM 779 CD ARG A 97 14.282 123.092 17.562 1.00 42.92 C ATOM 780 NE ARG A 97 14.264 122.016 16.578 1.00 46.16 N ATOM 781 CZ ARG A 97 14.630 122.157 15.302 1.00 46.33 C ATOM 782 NH1 ARG A 97 15.105 123.320 14.854 1.00 44.42 N ATOM 783 NH2 ARG A 97 14.544 121.119 14.476 1.00 46.81 N ATOM 784 HE ARG A 97 13.945 121.077 16.891 1.00 0.00 H ATOM 785 HH12 ARG A 97 15.387 123.417 13.858 1.00 0.00 H ATOM 786 HH11 ARG A 97 15.194 124.129 15.501 1.00 0.00 H ATOM 787 HH22 ARG A 97 14.827 121.222 13.481 1.00 0.00 H ATOM 788 HH21 ARG A 97 14.193 120.204 14.825 1.00 0.00 H ATOM 789 H ARG A 97 14.915 123.782 21.247 1.00 0.00 H ATOM 790 N LYS A 98 16.768 121.101 21.735 1.00 29.33 N ATOM 791 CA LYS A 98 17.863 120.281 22.216 1.00 30.78 C ATOM 792 C LYS A 98 17.536 119.730 23.600 1.00 28.14 C ATOM 793 O LYS A 98 17.732 118.538 23.864 1.00 28.70 O ATOM 794 CB LYS A 98 19.171 121.086 22.240 1.00 35.63 C ATOM 795 CG LYS A 98 20.433 120.238 22.327 1.00 40.92 C ATOM 796 CD LYS A 98 21.666 121.040 21.901 1.00 46.28 C ATOM 797 CE LYS A 98 22.877 120.158 21.612 1.00 51.62 C ATOM 798 NZ LYS A 98 23.642 119.827 22.848 1.00 53.35 N ATOM 799 HZ1 LYS A 98 23.980 120.705 23.291 1.00 0.00 H ATOM 800 HZ2 LYS A 98 23.023 119.319 23.512 1.00 0.00 H ATOM 801 HZ3 LYS A 98 24.455 119.227 22.601 1.00 0.00 H ATOM 802 H LYS A 98 16.959 122.094 21.494 1.00 0.00 H ATOM 803 N ILE A 99 16.981 120.576 24.463 1.00 25.83 N ATOM 804 CA ILE A 99 16.661 120.140 25.823 1.00 25.19 C ATOM 805 C ILE A 99 15.554 119.091 25.812 1.00 26.41 C ATOM 806 O ILE A 99 15.689 118.071 26.475 1.00 25.09 O ATOM 807 CB ILE A 99 16.331 121.313 26.755 1.00 25.34 C ATOM 808 CG1 ILE A 99 17.610 122.128 26.992 1.00 24.50 C ATOM 809 CG2 ILE A 99 15.768 120.798 28.084 1.00 26.14 C ATOM 810 CD1 ILE A 99 17.383 123.520 27.514 1.00 25.51 C ATOM 811 H ILE A 99 16.773 121.552 24.170 1.00 0.00 H ATOM 812 N TYR A 100 14.484 119.341 25.059 1.00 26.98 N ATOM 813 CA TYR A 100 13.388 118.366 24.955 1.00 28.89 C ATOM 814 C TYR A 100 13.946 117.032 24.446 1.00 29.13 C ATOM 815 O TYR A 100 13.639 115.975 25.004 1.00 29.99 O ATOM 816 CB TYR A 100 12.251 118.849 24.024 1.00 30.24 C ATOM 817 CG TYR A 100 11.672 120.243 24.306 1.00 34.09 C ATOM 818 CD1 TYR A 100 11.472 120.702 25.605 1.00 33.51 C ATOM 819 CD2 TYR A 100 11.298 121.092 23.242 1.00 37.82 C ATOM 820 CE1 TYR A 100 10.956 121.968 25.850 1.00 36.49 C ATOM 821 CE2 TYR A 100 10.773 122.365 23.468 1.00 38.02 C ATOM 822 CZ TYR A 100 10.607 122.808 24.778 1.00 38.65 C ATOM 823 OH TYR A 100 10.088 124.080 25.008 1.00 39.85 O ATOM 824 HH TYR A 100 10.033 124.242 25.983 1.00 0.00 H ATOM 825 H TYR A 100 14.423 120.239 24.537 1.00 0.00 H ATOM 826 N THR A 101 14.794 117.075 23.415 1.00 29.17 N ATOM 827 CA THR A 101 15.404 115.849 22.885 1.00 30.61 C ATOM 828 C THR A 101 16.160 115.093 23.979 1.00 29.32 C ATOM 829 O THR A 101 15.981 113.885 24.130 1.00 29.54 O ATOM 830 CB THR A 101 16.306 116.153 21.675 1.00 32.17 C ATOM 831 OG1 THR A 101 15.510 116.764 20.660 1.00 33.30 O ATOM 832 CG2 THR A 101 16.957 114.898 21.113 1.00 35.44 C ATOM 833 HG1 THR A 101 15.118 117.603 21.010 1.00 0.00 H ATOM 834 H THR A 101 15.026 117.991 22.981 1.00 0.00 H ATOM 835 N MET A 102 16.962 115.809 24.769 1.00 27.42 N ATOM 836 CA MET A 102 17.752 115.194 25.839 1.00 27.89 C ATOM 837 C MET A 102 16.881 114.589 26.943 1.00 29.36 C ATOM 838 O MET A 102 17.179 113.496 27.450 1.00 28.78 O ATOM 839 CB MET A 102 18.754 116.198 26.425 1.00 29.45 C ATOM 840 CG MET A 102 19.843 116.588 25.446 1.00 30.22 C ATOM 841 SD MET A 102 21.181 117.591 26.117 1.00 33.87 S ATOM 842 CE MET A 102 20.391 119.153 26.467 1.00 31.78 C ATOM 843 H MET A 102 17.029 116.836 24.621 1.00 0.00 H ATOM 844 N ILE A 103 15.799 115.280 27.288 1.00 27.85 N ATOM 845 CA ILE A 103 14.876 114.790 28.314 1.00 27.25 C ATOM 846 C ILE A 103 14.134 113.540 27.814 1.00 27.25 C ATOM 847 O ILE A 103 14.093 112.528 28.525 1.00 29.03 O ATOM 848 CB ILE A 103 13.878 115.876 28.760 1.00 27.30 C ATOM 849 CG1 ILE A 103 14.634 117.029 29.429 1.00 27.75 C ATOM 850 CG2 ILE A 103 12.850 115.311 29.741 1.00 28.79 C ATOM 851 CD1 ILE A 103 13.806 118.283 29.619 1.00 27.83 C ATOM 852 H ILE A 103 15.604 116.188 26.819 1.00 0.00 H ATOM 853 N TYR A 104 13.599 113.593 26.595 1.00 28.62 N ATOM 854 CA TYR A 104 12.861 112.439 26.019 1.00 30.95 C ATOM 855 C TYR A 104 13.712 111.164 25.892 1.00 33.68 C ATOM 856 O TYR A 104 13.195 110.045 26.067 1.00 33.33 O ATOM 857 CB TYR A 104 12.197 112.807 24.675 1.00 33.21 C ATOM 858 CG TYR A 104 10.857 113.475 24.843 1.00 33.48 C ATOM 859 CD1 TYR A 104 9.758 112.763 25.342 1.00 34.31 C ATOM 860 CD2 TYR A 104 10.664 114.810 24.492 1.00 33.13 C ATOM 861 CE1 TYR A 104 8.520 113.372 25.501 1.00 34.71 C ATOM 862 CE2 TYR A 104 9.432 115.428 24.656 1.00 35.57 C ATOM 863 CZ TYR A 104 8.364 114.705 25.158 1.00 36.13 C ATOM 864 OH TYR A 104 7.146 115.312 25.308 1.00 37.19 O ATOM 865 HH TYR A 104 6.829 115.635 24.427 1.00 0.00 H ATOM 866 H TYR A 104 13.700 114.462 26.033 1.00 0.00 H ATOM 867 N ARG A 105 15.018 111.317 25.655 1.00 32.56 N ATOM 868 CA ARG A 105 15.947 110.174 25.679 1.00 35.20 C ATOM 869 C ARG A 105 15.993 109.461 27.024 1.00 33.33 C ATOM 870 O ARG A 105 16.364 108.298 27.082 1.00 35.71 O ATOM 871 CB ARG A 105 17.385 110.605 25.347 1.00 39.45 C ATOM 872 CG ARG A 105 17.658 110.851 23.883 1.00 43.97 C ATOM 873 CD ARG A 105 19.149 110.962 23.615 1.00 47.25 C ATOM 874 NE ARG A 105 19.385 111.555 22.295 1.00 52.81 N ATOM 875 CZ ARG A 105 19.942 112.746 22.045 1.00 54.24 C ATOM 876 NH1 ARG A 105 20.393 113.545 23.018 1.00 53.52 N ATOM 877 NH2 ARG A 105 20.069 113.141 20.778 1.00 55.89 N ATOM 878 HE ARG A 105 19.090 110.994 21.470 1.00 0.00 H ATOM 879 HH12 ARG A 105 20.820 114.463 22.781 1.00 0.00 H ATOM 880 HH11 ARG A 105 20.317 113.248 24.012 1.00 0.00 H ATOM 881 HH22 ARG A 105 20.499 114.063 20.561 1.00 0.00 H ATOM 882 HH21 ARG A 105 19.738 112.527 20.006 1.00 0.00 H ATOM 883 H ARG A 105 15.388 112.267 25.448 1.00 0.00 H ATOM 884 N ASN A 106 15.646 110.176 28.097 1.00 30.40 N ATOM 885 CA ASN A 106 15.720 109.690 29.472 1.00 28.85 C ATOM 886 C ASN A 106 14.378 109.299 30.106 1.00 28.39 C ATOM 887 O ASN A 106 14.254 109.207 31.329 1.00 28.96 O ATOM 888 CB ASN A 106 16.415 110.770 30.316 1.00 30.08 C ATOM 889 CG ASN A 106 17.909 110.785 30.088 1.00 31.41 C ATOM 890 OD1 ASN A 106 18.627 109.982 30.668 1.00 33.56 O ATOM 891 ND2 ASN A 106 18.377 111.669 29.213 1.00 31.53 N ATOM 892 HD22 ASN A 106 17.727 112.332 28.745 1.00 0.00 H ATOM 893 HD21 ASN A 106 19.394 111.698 28.996 1.00 0.00 H ATOM 894 H ASN A 106 15.300 111.144 27.943 1.00 0.00 H ATOM 895 N LEU A 107 13.375 109.069 29.282 1.00 31.15 N ATOM 896 CA LEU A 107 12.094 108.588 29.791 1.00 32.54 C ATOM 897 C LEU A 107 11.396 107.718 28.768 1.00 32.78 C ATOM 898 O LEU A 107 11.754 107.724 27.588 1.00 31.41 O ATOM 899 CB LEU A 107 11.223 109.765 30.196 1.00 33.87 C ATOM 900 CG LEU A 107 10.954 110.837 29.141 1.00 34.96 C ATOM 901 CD1 LEU A 107 9.800 110.456 28.216 1.00 35.93 C ATOM 902 CD2 LEU A 107 10.676 112.165 29.830 1.00 35.03 C ATOM 903 H LEU A 107 13.497 109.231 28.262 1.00 0.00 H ATOM 904 N VAL A 108 10.393 106.977 29.232 1.00 34.06 N ATOM 905 CA VAL A 108 9.513 106.237 28.330 1.00 34.39 C ATOM 906 C VAL A 108 8.126 106.860 28.449 1.00 30.00 C ATOM 907 O VAL A 108 7.615 107.051 29.559 1.00 30.29 O ATOM 908 CB VAL A 108 9.542 104.703 28.590 1.00 38.59 C ATOM 909 CG1 VAL A 108 10.969 104.178 28.533 1.00 39.24 C ATOM 910 CG2 VAL A 108 8.923 104.336 29.922 1.00 41.68 C ATOM 911 H VAL A 108 10.232 106.923 30.258 1.00 0.00 H ATOM 912 N VAL A 109 7.546 107.228 27.314 1.00 29.57 N ATOM 913 CA VAL A 109 6.203 107.788 27.269 1.00 30.98 C ATOM 914 C VAL A 109 5.256 106.615 27.515 1.00 32.51 C ATOM 915 O VAL A 109 5.396 105.565 26.870 1.00 32.38 O ATOM 916 CB VAL A 109 5.903 108.463 25.910 1.00 32.95 C ATOM 917 CG1 VAL A 109 4.441 108.884 25.804 1.00 34.04 C ATOM 918 CG2 VAL A 109 6.809 109.681 25.716 1.00 35.16 C ATOM 919 H VAL A 109 8.070 107.112 26.423 1.00 0.00 H ATOM 920 N VAL A 110 4.329 106.789 28.453 1.00 29.48 N ATOM 921 CA VAL A 110 3.426 105.698 28.831 1.00 28.98 C ATOM 922 C VAL A 110 2.606 105.291 27.601 1.00 29.24 C ATOM 923 O VAL A 110 2.066 106.148 26.886 1.00 29.33 O ATOM 924 CB VAL A 110 2.529 106.088 30.044 1.00 29.33 C ATOM 925 CG1 VAL A 110 1.369 105.104 30.245 1.00 30.95 C ATOM 926 CG2 VAL A 110 3.371 106.185 31.303 1.00 29.77 C ATOM 927 H VAL A 110 4.244 107.712 28.925 1.00 0.00 H ATOM 928 N ASN A 111 2.519 103.976 27.374 1.00 30.68 N ATOM 929 CA ASN A 111 1.770 103.377 26.248 1.00 33.51 C ATOM 930 C ASN A 111 2.353 103.593 24.843 1.00 38.35 C ATOM 931 O ASN A 111 1.675 103.307 23.858 1.00 43.01 O ATOM 932 CB ASN A 111 0.282 103.791 26.273 1.00 31.30 C ATOM 933 CG ASN A 111 -0.442 103.323 27.524 1.00 29.88 C ATOM 934 OD1 ASN A 111 -0.002 102.394 28.194 1.00 29.27 O ATOM 935 ND2 ASN A 111 -1.555 103.968 27.843 1.00 28.47 N ATOM 936 HD22 ASN A 111 -1.892 104.750 27.246 1.00 0.00 H ATOM 937 HD21 ASN A 111 -2.091 103.692 28.690 1.00 0.00 H ATOM 938 H ASN A 111 3.009 103.335 28.030 1.00 0.00 H ATOM 939 N GLN A 112 3.593 104.071 24.728 1.00 43.17 N ATOM 940 CA GLN A 112 4.176 104.334 23.400 1.00 48.35 C ATOM 941 C GLN A 112 4.914 103.104 22.885 1.00 51.84 C ATOM 942 O GLN A 112 5.686 102.486 23.618 1.00 56.01 O ATOM 943 CB GLN A 112 5.122 105.534 23.445 1.00 51.91 C ATOM 944 CG GLN A 112 5.354 106.191 22.091 1.00 54.42 C ATOM 945 CD GLN A 112 6.105 107.508 22.208 1.00 56.45 C ATOM 946 OE1 GLN A 112 5.519 108.588 22.069 1.00 55.93 O ATOM 947 NE2 GLN A 112 7.407 107.425 22.490 1.00 54.00 N ATOM 948 HE22 GLN A 112 7.857 106.494 22.598 1.00 0.00 H ATOM 949 HE21 GLN A 112 7.971 108.292 22.602 1.00 0.00 H ATOM 950 H GLN A 112 4.154 104.260 25.583 1.00 0.00 H TER 951 GLN A 112 HETATM 952 O HOH 1 27.179 119.338 41.165 1.00 50.50 O HETATM 953 O HOH 2 21.272 136.041 30.266 1.00 39.92 O HETATM 954 O HOH 3 1.098 118.233 35.324 1.00 42.11 O HETATM 955 O HOH 4 22.011 130.578 24.164 1.00 31.18 O HETATM 956 O HOH 5 20.876 124.220 47.613 1.00 48.05 O HETATM 957 O HOH 6 3.135 125.927 26.302 1.00 54.04 O HETATM 958 O HOH 7 22.015 138.583 34.084 1.00 40.80 O HETATM 959 O HOH 8 3.819 126.043 31.125 1.00 47.77 O HETATM 960 O HOH 9 14.938 112.209 22.265 1.00 39.28 O HETATM 961 O HOH 10 30.924 122.926 27.286 1.00 28.33 O HETATM 962 O HOH 11 16.703 105.222 39.833 1.00 40.75 O HETATM 963 O HOH 12 12.998 118.967 15.100 1.00 47.44 O HETATM 964 O HOH 13 6.390 122.512 34.068 1.00 39.53 O HETATM 965 O HOH 14 7.737 116.120 46.887 1.00 45.09 O HETATM 966 O HOH 15 14.334 129.867 27.586 1.00 24.74 O HETATM 967 O HOH 16 18.023 110.075 44.429 1.00 38.71 O HETATM 968 O HOH 17 24.827 121.147 24.964 1.00 40.99 O HETATM 969 O HOH 18 4.888 116.725 41.016 1.00 29.76 O HETATM 970 O HOH 19 26.309 121.637 42.885 1.00 39.68 O HETATM 971 O HOH 20 10.083 105.530 36.456 1.00 33.52 O HETATM 972 O HOH 21 24.218 129.318 40.360 1.00 45.08 O HETATM 973 O HOH 22 11.152 104.157 32.106 1.00 37.11 O HETATM 974 O HOH 23 10.811 109.224 24.854 1.00 42.81 O HETATM 975 O HOH 24 12.467 111.660 47.249 1.00 45.12 O HETATM 976 O HOH 25 13.451 104.040 36.046 1.00 38.24 O HETATM 977 O HOH 26 26.810 128.988 40.692 1.00 44.25 O HETATM 978 O HOH 27 20.395 124.146 20.058 1.00 55.06 O HETATM 979 O HOH 28 17.679 108.389 32.831 1.00 32.45 O HETATM 980 O HOH 29 4.260 102.261 28.860 1.00 46.38 O HETATM 981 O HOH 30 27.821 139.146 30.279 1.00 34.90 O HETATM 982 O HOH 31 25.829 115.080 40.934 1.00 40.44 O HETATM 983 O HOH 32 33.660 119.319 30.032 1.00 47.14 O HETATM 984 O HOH 33 28.906 115.488 30.941 1.00 49.02 O HETATM 985 O HOH 34 4.924 105.597 42.082 1.00 47.93 O HETATM 986 O HOH 35 17.642 123.725 20.464 1.00 32.93 O HETATM 987 O HOH 36 21.186 136.516 27.086 1.00 55.95 O HETATM 988 O HOH 37 28.440 113.114 29.688 1.00 66.69 O HETATM 989 O HOH 38 19.171 105.922 32.868 1.00 38.31 O HETATM 990 O HOH 39 22.467 133.383 23.901 1.00 44.32 O HETATM 991 O HOH 40 15.504 125.251 19.738 1.00 34.34 O HETATM 992 O HOH 41 3.503 106.736 39.974 1.00 49.37 O HETATM 993 O HOH 42 29.459 112.983 38.041 1.00 53.45 O HETATM 994 O HOH 43 28.202 132.005 41.334 1.00 42.43 O HETATM 995 O HOH 44 3.463 127.113 35.192 1.00 48.55 O HETATM 996 O HOH 45 24.919 133.908 24.967 1.00 45.14 O HETATM 997 O HOH 46 29.785 122.345 24.928 1.00 39.96 O HETATM 998 O HOH 47 17.871 122.311 17.991 1.00 44.58 O HETATM 999 O HOH 48 26.393 132.173 26.181 1.00 45.79 O HETATM 1000 O HOH 49 13.143 102.264 34.101 1.00 49.18 O HETATM 1001 O HOH 50 12.959 113.470 20.979 1.00 42.47 O HETATM 1002 O HOH 51 27.911 138.935 27.639 1.00 55.58 O HETATM 1003 O HOH 52 30.631 141.837 32.507 1.00 51.44 O HETATM 1004 O HOH 53 14.228 132.447 26.603 1.00 37.25 O HETATM 1005 O HOH 54 22.126 135.863 21.174 1.00 61.43 O HETATM 1006 O HOH 55 12.748 139.721 32.557 1.00 52.27 O HETATM 1007 O HOH 56 6.900 129.381 26.871 1.00 42.56 O HETATM 1008 O HOH 57 13.788 137.203 35.455 1.00 26.64 O HETATM 1009 O HOH 58 20.907 136.456 33.021 1.00 26.21 O HETATM 1010 O HOH 59 5.927 128.405 32.294 1.00 37.35 O HETATM 1011 O HOH 60 4.326 127.063 28.237 1.00 52.40 O HETATM 1012 O HOH 61 18.470 141.543 36.876 1.00 36.62 O HETATM 1013 O HOH 62 19.427 138.791 30.577 1.00 47.98 O HETATM 1014 O HOH 63 9.208 132.955 31.550 1.00 34.98 O HETATM 1015 N THC A 64 17.931 138.612 33.023 1.00 -0.26 N HETATM 1016 CN THC A 64 18.232 139.462 34.006 1.00 0.18 C HETATM 1017 ON THC A 64 17.623 139.500 35.071 1.00 -0.40 O HETATM 1018 CM THC A 64 19.360 140.431 33.738 1.00 0.03 C HETATM 1019 H2 THC A 64 19.509 141.073 34.619 1.00 0.05 H HETATM 1020 H3 THC A 64 19.108 141.055 32.868 1.00 0.05 H HETATM 1021 H4 THC A 64 20.284 139.870 33.532 1.00 0.05 H HETATM 1022 CA THC A 64 16.870 137.611 33.141 1.00 0.16 C HETATM 1023 CB THC A 64 16.483 137.084 31.761 1.00 0.09 C HETATM 1024 OG1 THC A 64 16.046 138.176 30.927 1.00 -0.39 O HETATM 1025 H7 THC A 64 15.807 137.843 30.070 1.00 0.21 H HETATM 1026 CG2 THC A 64 15.356 136.055 31.791 1.00 -0.03 C HETATM 1027 H8 THC A 64 15.134 135.724 30.766 1.00 0.03 H HETATM 1028 H9 THC A 64 14.456 136.509 32.232 1.00 0.03 H HETATM 1029 H10 THC A 64 15.665 135.190 32.397 1.00 0.03 H HETATM 1030 H6 THC A 64 17.372 136.616 31.313 1.00 0.06 H HETATM 1031 C THC A 64 17.301 136.471 34.043 1.00 0.21 C HETATM 1032 O THC A 64 18.419 135.961 33.924 1.00 -0.39 O HETATM 1033 N THC A 64 16.409 136.066 34.942 1.00 -0.26 N HETATM 1034 CA THC A 64 16.729 134.999 35.884 1.00 0.15 C HETATM 1035 C THC A 64 16.703 133.648 35.201 1.00 0.21 C HETATM 1036 O THC A 64 16.005 133.442 34.210 1.00 -0.39 O HETATM 1037 N THC A 64 17.454 132.713 35.770 1.00 -0.26 N HETATM 1038 CA THC A 64 17.343 131.311 35.405 1.00 0.14 C HETATM 1039 C THC A 64 15.877 130.842 35.516 1.00 0.20 C HETATM 1040 O THC A 64 15.396 130.185 34.605 1.00 -0.39 O HETATM 1041 NAC THC A 64 15.197 131.193 36.566 1.00 -0.27 N HETATM 1042 CAF THC A 64 13.781 130.840 36.780 1.00 0.13 C HETATM 1043 CAE THC A 64 12.973 131.271 35.535 1.00 0.23 C HETATM 1044 OAD THC A 64 12.248 130.460 34.965 1.00 -0.34 O HETATM 1045 N THC A 64 13.129 132.476 35.101 1.00 -0.26 N HETATM 1046 CA THC A 64 12.390 132.955 33.929 1.00 0.13 C HETATM 1047 C THC A 64 12.771 132.223 32.633 1.00 0.20 C HETATM 1048 O THC A 64 11.873 131.844 31.869 1.00 -0.39 O HETATM 1049 N THC A 64 14.066 131.998 32.387 1.00 -0.26 N HETATM 1050 CA THC A 64 14.479 131.236 31.201 1.00 0.14 C HETATM 1051 C THC A 64 13.873 129.825 31.207 1.00 0.21 C HETATM 1052 O THC A 64 13.366 129.336 30.184 1.00 -0.39 O HETATM 1053 N THC A 64 13.893 129.178 32.379 1.00 -0.26 N HETATM 1054 CA THC A 64 13.389 127.818 32.480 1.00 0.14 C HETATM 1055 CB THC A 64 13.828 127.164 33.803 1.00 0.00 C HETATM 1056 CG THC A 64 13.680 125.661 33.724 1.00 -0.04 C HETATM 1057 CD2 THC A 64 14.651 124.697 33.198 1.00 -0.02 C HETATM 1058 CE3 THC A 64 15.919 124.847 32.628 1.00 -0.07 C HETATM 1059 CZ3 THC A 64 16.586 123.711 32.194 1.00 -0.07 C HETATM 1060 CH2 THC A 64 15.987 122.442 32.335 1.00 0.03 C HETATM 1061 CZ2 THC A 64 14.724 122.274 32.891 1.00 -0.03 C HETATM 1062 CE2 THC A 64 14.017 123.374 33.343 1.00 0.06 C HETATM 1063 NE1 THC A 64 12.811 123.560 33.919 1.00 -0.29 N HETATM 1064 CD1 THC A 64 12.597 124.895 34.152 1.00 0.02 C HETATM 1065 H63 THC A 64 11.698 125.303 34.611 1.00 0.08 H HETATM 1066 H62 THC A 64 12.146 122.808 34.151 1.00 0.22 H HETATM 1067 H64 THC A 64 14.294 121.282 32.970 1.00 0.05 H HETATM 1068 CLL THC A 64 16.891 121.033 31.759 1.00 -0.08 CL HETATM 1069 H65 THC A 64 17.569 123.799 31.746 1.00 0.05 H HETATM 1070 H61 THC A 64 16.370 125.828 32.528 1.00 0.05 H HETATM 1071 H59 THC A 64 13.201 127.547 34.622 1.00 0.04 H HETATM 1072 H60 THC A 64 14.881 127.414 33.999 1.00 0.04 H HETATM 1073 C THC A 64 11.873 127.800 32.327 1.00 0.21 C HETATM 1074 O THC A 64 11.316 126.905 31.673 1.00 -0.39 O HETATM 1075 N THC A 64 11.194 128.791 32.896 1.00 -0.26 N HETATM 1076 CA THC A 64 9.742 128.928 32.754 1.00 0.13 C HETATM 1077 C THC A 64 9.317 129.123 31.290 1.00 0.20 C HETATM 1078 O THC A 64 8.256 128.647 30.896 1.00 -0.39 O HETATM 1079 N THC A 64 10.145 129.801 30.494 1.00 -0.26 N HETATM 1080 CA THC A 64 9.878 129.968 29.065 1.00 0.13 C HETATM 1081 C THC A 64 10.037 128.651 28.331 1.00 0.20 C HETATM 1082 O THC A 64 9.259 128.331 27.426 1.00 -0.39 O HETATM 1083 N THC A 64 11.044 127.877 28.738 1.00 -0.26 N HETATM 1084 CA THC A 64 11.234 126.540 28.243 1.00 0.13 C HETATM 1085 C THC A 64 10.033 125.646 28.537 1.00 0.20 C HETATM 1086 O THC A 64 9.580 124.916 27.644 1.00 -0.39 O HETATM 1087 N THC A 64 9.517 125.707 29.771 1.00 -0.27 N HETATM 1088 CA THC A 64 8.381 124.908 30.207 1.00 0.13 C HETATM 1089 C THC A 64 7.136 125.228 29.405 1.00 0.22 C HETATM 1090 O THC A 64 6.889 126.396 29.066 1.00 -0.34 O HETATM 1091 N THC A 64 6.228 124.210 29.090 1.00 -0.30 N HETATM 1092 H104 THC A 64 6.421 123.267 29.360 1.00 0.18 H HETATM 1093 H105 THC A 64 5.386 124.426 28.595 1.00 0.18 H HETATM 1094 CB THC A 64 7.903 125.229 31.604 1.00 -0.02 C HETATM 1095 CG THC A 64 8.870 125.000 32.736 1.00 -0.04 C HETATM 1096 CD THC A 64 8.040 124.925 33.997 1.00 -0.04 C HETATM 1097 CE THC A 64 8.505 125.862 35.035 1.00 -0.10 C HETATM 1098 CAT THC A 64 9.453 125.450 35.842 1.00 -0.10 C HETATM 1099 CAS THC A 64 9.873 126.401 36.911 1.00 -0.04 C HETATM 1100 CAR THC A 64 11.121 125.919 37.633 1.00 -0.05 C HETATM 1101 CAQ THC A 64 12.184 126.981 37.467 1.00 -0.05 C HETATM 1102 CAP THC A 64 13.452 127.122 38.355 1.00 -0.05 C HETATM 1103 CAO THC A 64 13.955 128.605 38.358 1.00 -0.05 C HETATM 1104 CAB THC A 64 13.636 129.316 37.020 1.00 -0.02 C HETATM 1105 H28 THC A 64 14.280 128.836 36.269 1.00 0.03 H HETATM 1106 H29 THC A 64 12.583 129.081 36.804 1.00 0.03 H HETATM 1107 H31 THC A 64 13.462 129.148 39.178 1.00 0.03 H HETATM 1108 H32 THC A 64 15.043 128.613 38.516 1.00 0.03 H HETATM 1109 H33 THC A 64 13.209 126.820 39.384 1.00 0.03 H HETATM 1110 H34 THC A 64 14.245 126.471 37.959 1.00 0.03 H HETATM 1111 H35 THC A 64 12.558 126.863 36.439 1.00 0.03 H HETATM 1112 H36 THC A 64 11.655 127.941 37.557 1.00 0.03 H HETATM 1113 H37 THC A 64 10.903 125.770 38.701 1.00 0.03 H HETATM 1114 H38 THC A 64 11.466 124.971 37.194 1.00 0.03 H HETATM 1115 H39 THC A 64 10.080 127.380 36.456 1.00 0.04 H HETATM 1116 H40 THC A 64 9.056 126.501 37.640 1.00 0.04 H HETATM 1117 H41 THC A 64 9.909 124.467 35.737 1.00 0.04 H HETATM 1118 H98 THC A 64 8.077 126.859 35.128 1.00 0.04 H HETATM 1119 H96 THC A 64 6.996 125.165 33.747 1.00 0.04 H HETATM 1120 H97 THC A 64 8.095 123.901 34.395 1.00 0.04 H HETATM 1121 H99 THC A 64 9.585 125.833 32.800 1.00 0.03 H HETATM 1122 H100 THC A 64 9.417 124.058 32.584 1.00 0.03 H HETATM 1123 H94 THC A 64 7.014 124.611 31.799 1.00 0.03 H HETATM 1124 H95 THC A 64 7.621 126.292 31.620 1.00 0.03 H HETATM 1125 CB1 THC A 64 8.775 123.420 30.174 1.00 -0.03 C HETATM 1126 H101 THC A 64 7.922 122.808 30.502 1.00 0.02 H HETATM 1127 H102 THC A 64 9.628 123.251 30.848 1.00 0.02 H HETATM 1128 H103 THC A 64 9.056 123.138 29.149 1.00 0.02 H HETATM 1129 H93 THC A 64 9.934 126.335 30.428 1.00 0.18 H HETATM 1130 CB THC A 64 12.538 125.939 28.787 1.00 -0.01 C HETATM 1131 CG THC A 64 12.703 124.432 28.640 1.00 -0.04 C HETATM 1132 CD1 THC A 64 13.224 124.143 27.253 1.00 -0.06 C HETATM 1133 H87 THC A 64 13.350 123.058 27.128 1.00 0.02 H HETATM 1134 H88 THC A 64 14.194 124.643 27.114 1.00 0.02 H HETATM 1135 H89 THC A 64 12.508 124.518 26.507 1.00 0.02 H HETATM 1136 CD2 THC A 64 13.660 123.897 29.688 1.00 -0.06 C HETATM 1137 H90 THC A 64 13.265 124.116 30.691 1.00 0.02 H HETATM 1138 H91 THC A 64 14.642 124.378 29.567 1.00 0.02 H HETATM 1139 H92 THC A 64 13.767 122.809 29.566 1.00 0.02 H HETATM 1140 H86 THC A 64 11.725 123.945 28.770 1.00 0.03 H HETATM 1141 H84 THC A 64 12.595 126.179 29.859 1.00 0.03 H HETATM 1142 H85 THC A 64 13.374 126.420 28.259 1.00 0.03 H HETATM 1143 H83 THC A 64 11.332 126.605 27.149 1.00 0.08 H HETATM 1144 H82 THC A 64 11.689 128.239 29.411 1.00 0.19 H HETATM 1145 CB THC A 64 10.798 131.022 28.448 1.00 -0.01 C HETATM 1146 CG THC A 64 10.337 132.463 28.579 1.00 -0.04 C HETATM 1147 CD1 THC A 64 11.503 133.434 28.406 1.00 -0.06 C HETATM 1148 H76 THC A 64 11.138 134.467 28.506 1.00 0.02 H HETATM 1149 H77 THC A 64 11.949 133.298 27.410 1.00 0.02 H HETATM 1150 H78 THC A 64 12.262 133.237 29.178 1.00 0.02 H HETATM 1151 CD2 THC A 64 9.202 132.756 27.590 1.00 -0.06 C HETATM 1152 H79 THC A 64 8.384 132.037 27.747 1.00 0.02 H HETATM 1153 H80 THC A 64 9.579 132.663 26.561 1.00 0.02 H HETATM 1154 H81 THC A 64 8.828 133.778 27.753 1.00 0.02 H HETATM 1155 H75 THC A 64 9.939 132.599 29.596 1.00 0.03 H HETATM 1156 H73 THC A 64 10.898 130.796 27.376 1.00 0.03 H HETATM 1157 H74 THC A 64 11.781 130.937 28.934 1.00 0.03 H HETATM 1158 H72 THC A 64 8.838 130.307 28.949 1.00 0.08 H HETATM 1159 H71 THC A 64 10.971 130.207 30.885 1.00 0.19 H HETATM 1160 CB THC A 64 9.208 130.057 33.607 1.00 -0.02 C HETATM 1161 H68 THC A 64 8.118 130.131 33.477 1.00 0.03 H HETATM 1162 H69 THC A 64 9.679 131.003 33.301 1.00 0.03 H HETATM 1163 H70 THC A 64 9.438 129.858 34.664 1.00 0.03 H HETATM 1164 H67 THC A 64 9.287 127.993 33.111 1.00 0.08 H HETATM 1165 H66 THC A 64 11.691 129.467 33.440 1.00 0.19 H HETATM 1166 H58 THC A 64 13.820 127.232 31.655 1.00 0.08 H HETATM 1167 H57 THC A 64 14.257 129.634 33.191 1.00 0.19 H HETATM 1168 CB THC A 64 15.980 131.106 31.116 1.00 0.02 C HETATM 1169 CG THC A 64 16.700 132.356 30.616 1.00 -0.05 C HETATM 1170 CD1 THC A 64 16.438 132.867 29.339 1.00 -0.07 C HETATM 1171 CE1 THC A 64 17.125 133.974 28.867 1.00 -0.04 C HETATM 1172 CZ THC A 64 18.071 134.574 29.673 1.00 0.08 C HETATM 1173 CE2 THC A 64 18.332 134.083 30.935 1.00 -0.04 C HETATM 1174 CD2 THC A 64 17.646 132.971 31.390 1.00 -0.07 C HETATM 1175 H53 THC A 64 17.862 132.580 32.378 1.00 0.05 H HETATM 1176 H55 THC A 64 19.070 134.565 31.566 1.00 0.05 H HETATM 1177 OH THC A 64 18.759 135.706 29.250 1.00 -0.34 O HETATM 1178 H56 THC A 64 19.692 135.528 29.255 1.00 0.25 H HETATM 1179 H54 THC A 64 16.922 134.364 27.876 1.00 0.05 H HETATM 1180 H52 THC A 64 15.691 132.392 28.714 1.00 0.05 H HETATM 1181 H50 THC A 64 16.214 130.278 30.431 1.00 0.05 H HETATM 1182 H51 THC A 64 16.361 130.869 32.120 1.00 0.05 H HETATM 1183 H49 THC A 64 14.121 131.771 30.309 1.00 0.08 H HETATM 1184 H48 THC A 64 14.759 132.351 33.016 1.00 0.19 H HETATM 1185 CB THC A 64 12.527 134.474 33.778 1.00 -0.00 C HETATM 1186 CG THC A 64 11.631 135.018 32.659 1.00 0.00 C HETATM 1187 CD THC A 64 11.547 136.530 32.552 1.00 0.04 C HETATM 1188 OE1 THC A 64 12.148 137.290 33.362 1.00 -0.57 O HETATM 1189 OE2 THC A 64 10.838 136.950 31.611 1.00 -0.57 O HETATM 1190 H46 THC A 64 10.613 134.635 32.826 1.00 0.04 H HETATM 1191 H47 THC A 64 12.015 134.633 31.703 1.00 0.04 H HETATM 1192 H44 THC A 64 13.574 134.716 33.545 1.00 0.03 H HETATM 1193 H45 THC A 64 12.243 134.953 34.726 1.00 0.03 H HETATM 1194 H43 THC A 64 11.327 132.741 34.113 1.00 0.08 H HETATM 1195 H42 THC A 64 13.762 133.091 35.570 1.00 0.19 H HETATM 1196 CAA THC A 64 13.234 131.633 37.973 1.00 -0.03 C HETATM 1197 H25 THC A 64 13.786 131.354 38.883 1.00 0.02 H HETATM 1198 H26 THC A 64 12.166 131.405 38.107 1.00 0.02 H HETATM 1199 H27 THC A 64 13.358 132.710 37.785 1.00 0.02 H HETATM 1200 H30 THC A 64 15.660 131.733 37.269 1.00 0.18 H HETATM 1201 CB THC A 64 18.263 130.442 36.280 1.00 0.02 C HETATM 1202 CG THC A 64 18.037 128.976 36.071 1.00 -0.04 C HETATM 1203 CD1 THC A 64 18.408 128.371 34.887 1.00 -0.06 C HETATM 1204 CE1 THC A 64 18.172 127.036 34.657 1.00 -0.07 C HETATM 1205 CZ THC A 64 17.490 126.294 35.598 1.00 -0.07 C HETATM 1206 CE2 THC A 64 17.089 126.889 36.775 1.00 -0.07 C HETATM 1207 CD2 THC A 64 17.357 128.231 37.008 1.00 -0.06 C HETATM 1208 H21 THC A 64 17.029 128.694 37.932 1.00 0.06 H HETATM 1209 H23 THC A 64 16.562 126.306 37.522 1.00 0.06 H HETATM 1210 H24 THC A 64 17.270 125.249 35.413 1.00 0.06 H HETATM 1211 H22 THC A 64 18.520 126.570 33.742 1.00 0.06 H HETATM 1212 H20 THC A 64 18.897 128.962 34.121 1.00 0.06 H HETATM 1213 H18 THC A 64 18.073 130.681 37.337 1.00 0.05 H HETATM 1214 H19 THC A 64 19.309 130.676 36.033 1.00 0.05 H HETATM 1215 H17 THC A 64 17.662 131.201 34.358 1.00 0.08 H HETATM 1216 H16 THC A 64 18.116 132.981 36.470 1.00 0.19 H HETATM 1217 CB THC A 64 15.737 135.006 37.048 1.00 0.08 C HETATM 1218 OG THC A 64 14.416 134.785 36.614 1.00 -0.39 O HETATM 1219 H15 THC A 64 14.165 135.470 36.005 1.00 0.21 H HETATM 1220 H13 THC A 64 15.787 135.982 37.552 1.00 0.06 H HETATM 1221 H14 THC A 64 16.015 134.213 37.757 1.00 0.06 H HETATM 1222 H12 THC A 64 17.740 135.174 36.280 1.00 0.08 H HETATM 1223 H11 THC A 64 15.508 136.498 34.973 1.00 0.19 H HETATM 1224 H5 THC A 64 15.988 138.092 33.589 1.00 0.08 H HETATM 1225 H1 THC A 64 18.452 138.661 32.171 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1015 1016 1022 1225 CONECT 1016 1015 1017 1018 CONECT 1017 1016 CONECT 1018 1016 1019 1020 1021 CONECT 1019 1018 CONECT 1020 1018 CONECT 1021 1018 CONECT 1022 1015 1023 1031 1224 CONECT 1023 1022 1024 1026 1030 CONECT 1024 1023 1025 CONECT 1025 1024 CONECT 1026 1023 1027 1028 1029 CONECT 1027 1026 CONECT 1028 1026 CONECT 1029 1026 CONECT 1030 1023 CONECT 1031 1022 1032 1033 CONECT 1032 1031 CONECT 1033 1031 1034 1223 CONECT 1034 1033 1035 1217 1222 CONECT 1035 1034 1036 1037 CONECT 1036 1035 CONECT 1037 1035 1038 1216 CONECT 1038 1037 1039 1201 1215 CONECT 1039 1038 1040 1041 CONECT 1040 1039 CONECT 1041 1039 1042 1200 CONECT 1042 1041 1043 1104 1196 CONECT 1043 1042 1044 1045 CONECT 1044 1043 CONECT 1045 1043 1046 1195 CONECT 1046 1045 1047 1185 1194 CONECT 1047 1046 1048 1049 CONECT 1048 1047 CONECT 1049 1047 1050 1184 CONECT 1050 1049 1051 1168 1183 CONECT 1051 1050 1052 1053 CONECT 1052 1051 CONECT 1053 1051 1054 1167 CONECT 1054 1053 1055 1073 1166 CONECT 1055 1054 1056 1071 1072 CONECT 1056 1055 1057 1064 CONECT 1057 1056 1058 1062 CONECT 1058 1057 1059 1070 CONECT 1059 1058 1060 1069 CONECT 1060 1059 1061 1068 CONECT 1061 1060 1062 1067 CONECT 1062 1057 1061 1063 CONECT 1063 1062 1064 1066 CONECT 1064 1056 1063 1065 CONECT 1065 1064 CONECT 1066 1063 CONECT 1067 1061 CONECT 1068 1060 CONECT 1069 1059 CONECT 1070 1058 CONECT 1071 1055 CONECT 1072 1055 CONECT 1073 1054 1074 1075 CONECT 1074 1073 CONECT 1075 1073 1076 1165 CONECT 1076 1075 1077 1160 1164 CONECT 1077 1076 1078 1079 CONECT 1078 1077 CONECT 1079 1077 1080 1159 CONECT 1080 1079 1081 1145 1158 CONECT 1081 1080 1082 1083 CONECT 1082 1081 CONECT 1083 1081 1084 1144 CONECT 1084 1083 1085 1130 1143 CONECT 1085 1084 1086 1087 CONECT 1086 1085 CONECT 1087 1085 1088 1129 CONECT 1088 1087 1089 1094 1125 CONECT 1089 1088 1090 1091 CONECT 1090 1089 CONECT 1091 1089 1092 1093 CONECT 1092 1091 CONECT 1093 1091 CONECT 1094 1088 1095 1123 1124 CONECT 1095 1094 1096 1121 1122 CONECT 1096 1095 1097 1119 1120 CONECT 1097 1096 1098 1118 CONECT 1098 1097 1099 1117 CONECT 1099 1098 1100 1115 1116 CONECT 1100 1099 1101 1113 1114 CONECT 1101 1100 1102 1111 1112 CONECT 1102 1101 1103 1109 1110 CONECT 1103 1102 1104 1107 1108 CONECT 1104 1042 1103 1105 1106 CONECT 1105 1104 CONECT 1106 1104 CONECT 1107 1103 CONECT 1108 1103 CONECT 1109 1102 CONECT 1110 1102 CONECT 1111 1101 CONECT 1112 1101 CONECT 1113 1100 CONECT 1114 1100 CONECT 1115 1099 CONECT 1116 1099 CONECT 1117 1098 CONECT 1118 1097 CONECT 1119 1096 CONECT 1120 1096 CONECT 1121 1095 CONECT 1122 1095 CONECT 1123 1094 CONECT 1124 1094 CONECT 1125 1088 1126 1127 1128 CONECT 1126 1125 CONECT 1127 1125 CONECT 1128 1125 CONECT 1129 1087 CONECT 1130 1084 1131 1141 1142 CONECT 1131 1130 1132 1136 1140 CONECT 1132 1131 1133 1134 1135 CONECT 1133 1132 CONECT 1134 1132 CONECT 1135 1132 CONECT 1136 1131 1137 1138 1139 CONECT 1137 1136 CONECT 1138 1136 CONECT 1139 1136 CONECT 1140 1131 CONECT 1141 1130 CONECT 1142 1130 CONECT 1143 1084 CONECT 1144 1083 CONECT 1145 1080 1146 1156 1157 CONECT 1146 1145 1147 1151 1155 CONECT 1147 1146 1148 1149 1150 CONECT 1148 1147 CONECT 1149 1147 CONECT 1150 1147 CONECT 1151 1146 1152 1153 1154 CONECT 1152 1151 CONECT 1153 1151 CONECT 1154 1151 CONECT 1155 1146 CONECT 1156 1145 CONECT 1157 1145 CONECT 1158 1080 CONECT 1159 1079 CONECT 1160 1076 1161 1162 1163 CONECT 1161 1160 CONECT 1162 1160 CONECT 1163 1160 CONECT 1164 1076 CONECT 1165 1075 CONECT 1166 1054 CONECT 1167 1053 CONECT 1168 1050 1169 1181 1182 CONECT 1169 1168 1170 1174 CONECT 1170 1169 1171 1180 CONECT 1171 1170 1172 1179 CONECT 1172 1171 1173 1177 CONECT 1173 1172 1174 1176 CONECT 1174 1169 1173 1175 CONECT 1175 1174 CONECT 1176 1173 CONECT 1177 1172 1178 CONECT 1178 1177 CONECT 1179 1171 CONECT 1180 1170 CONECT 1181 1168 CONECT 1182 1168 CONECT 1183 1050 CONECT 1184 1049 CONECT 1185 1046 1186 1192 1193 CONECT 1186 1185 1187 1190 1191 CONECT 1187 1186 1188 1189 CONECT 1188 1187 CONECT 1189 1187 CONECT 1190 1186 CONECT 1191 1186 CONECT 1192 1185 CONECT 1193 1185 CONECT 1194 1046 CONECT 1195 1045 CONECT 1196 1042 1197 1198 1199 CONECT 1197 1196 CONECT 1198 1196 CONECT 1199 1196 CONECT 1200 1041 CONECT 1201 1038 1202 1213 1214 CONECT 1202 1201 1203 1207 CONECT 1203 1202 1204 1212 CONECT 1204 1203 1205 1211 CONECT 1205 1204 1206 1210 CONECT 1206 1205 1207 1209 CONECT 1207 1202 1206 1208 CONECT 1208 1207 CONECT 1209 1206 CONECT 1210 1205 CONECT 1211 1204 CONECT 1212 1203 CONECT 1213 1201 CONECT 1214 1201 CONECT 1215 1038 CONECT 1216 1037 CONECT 1217 1034 1218 1220 1221 CONECT 1218 1217 1219 CONECT 1219 1218 CONECT 1220 1217 CONECT 1221 1217 CONECT 1222 1034 CONECT 1223 1033 CONECT 1224 1022 CONECT 1225 1015 MASTER 0 0 0 0 0 0 0 0 1224 1 215 8 END
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12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
5xxk
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.66(Å)
Affinity (Kd/Ki/IC50)
Kd=6.337nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) PLoS ONE Vol. 12: pp. e0189379-e0189379
Ligand Properties
Formula
C
7
5
H
1
0
6
ClN
1
3
O
1
7
Molecular Weight
1497.170
Exact Mass
1495.750
No. of atoms
212
No. of bonds
216
Polar Surface Area
476.97
LOGP Value
7.28 (
Computed with XLOGP3
)
7.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 29
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 5
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@]1(C)CCCCCC/C=C/CCC[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)O)Cc1ccc(cc1)O)Cc1c[nH]c2c1ccc(c2)Cl)C)CC(C)C)C(=O)N)Cc1ccccc1)NC(=O)[C@H]([C@H](O)C)NC(=O)C
InChI String
InChI=1S/C75H106ClN13O17/c1-42(2)34-55-66(99)82-56(35-43(3)4)69(102)88-74(8,72(77)105)32-20-15-13-11-10-12-14-16-21-33-75(9,89-70(103)58(36-47-22-18-17-19-23-47)84-68(101)60(41-90)86-71(104)62(45(6)91)80-46(7)92)73(106)87-53(30-31-61(94)95)64(97)83-57(37-48-24-27-51(93)28-25-48)67(100)85-59(65(98)79-44(5)63(96)81-55)38-49-40-78-54-39-50(76)26-29-52(49)54/h11,13,17-19,22-29,39-40,42-45,53,55-60,62,78,90-91,93H,10,12,14-16,20-21,30-38,41H2,1-9H3,(H2,77,105)(H,79,98)(H,80,92)(H,81,96)(H,82,99)(H,83,97)(H,84,101)(H,85,100)(H,86,104)(H,87,106)(H,88,102)(H,89,103)(H,94,95)/b13-11+/t44-,45+,53-,55-,56-,57-,58-,59-,60-,62-,74-,75+/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):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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