Browse entries in the PDBbind-CN Database
HEADER 5F2P_COMPLEX COMPND 5F2P_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 SER THR PRO ILE GLN GLN LEU LEU GLU HIS PHE LEU ARG SEQRES 2 A 113 GLN LEU GLN ARG LYS ASP PRO HIS GLY PHE PHE ALA PHE SEQRES 3 A 113 PRO VAL THR ASP ALA ILE ALA PRO GLY TYR SER MET ILE SEQRES 4 A 113 ILE LYS HIS PRO MET ASP PHE GLY THR MET LYS ASP LYS SEQRES 5 A 113 ILE VAL ALA ASN GLU TYR LYS SER VAL THR GLU PHE LYS SEQRES 6 A 113 ALA ASP PHE LYS LEU MET CYS ASP ASN ALA MET THR TYR SEQRES 7 A 113 ASN ARG PRO ASP THR VAL TYR TYR LYS LEU ALA LYS LYS SEQRES 8 A 113 ILE LEU HIS ALA GLY PHE LYS MET MET SER LYS GLU ARG SEQRES 9 A 113 LEU LEU ALA LEU LYS ARG SER MET SER HET UNN A 221 27 ATOM 1 N SER A 22 -28.759 25.564 1.470 1.00 67.88 N ATOM 2 CA SER A 22 -27.647 24.891 0.801 1.00 63.83 C ATOM 3 C SER A 22 -26.397 25.784 0.729 1.00 65.68 C ATOM 4 O SER A 22 -26.517 27.009 0.711 1.00 67.09 O ATOM 5 CB SER A 22 -28.061 24.433 -0.595 1.00 65.88 C ATOM 6 OG SER A 22 -27.098 23.564 -1.164 1.00 70.97 O ATOM 7 HG SER A 22 -26.996 22.765 -0.589 1.00 0.00 H ATOM 8 HN3 SER A 22 -29.005 26.428 0.947 1.00 0.00 H ATOM 9 HN2 SER A 22 -28.479 25.813 2.440 1.00 0.00 H ATOM 10 HN1 SER A 22 -29.581 24.928 1.497 1.00 0.00 H ATOM 11 N THR A 23 -25.202 25.161 0.700 1.00 58.85 N ATOM 12 CA THR A 23 -23.902 25.850 0.645 1.00 57.09 C ATOM 13 C THR A 23 -23.327 25.869 -0.796 1.00 56.90 C ATOM 14 O THR A 23 -23.739 25.026 -1.598 1.00 54.53 O ATOM 15 CB THR A 23 -22.911 25.208 1.643 1.00 64.29 C ATOM 16 OG1 THR A 23 -22.673 23.851 1.273 1.00 62.15 O ATOM 17 CG2 THR A 23 -23.379 25.295 3.093 1.00 65.82 C ATOM 18 HG1 THR A 23 -23.527 23.351 1.289 1.00 0.00 H ATOM 19 H THR A 23 -25.198 24.121 0.718 1.00 0.00 H ATOM 20 N PRO A 24 -22.367 26.777 -1.148 1.00 52.66 N ATOM 21 CA PRO A 24 -21.816 26.781 -2.522 1.00 50.04 C ATOM 22 C PRO A 24 -21.141 25.474 -2.946 1.00 51.08 C ATOM 23 O PRO A 24 -21.225 25.108 -4.118 1.00 48.13 O ATOM 24 CB PRO A 24 -20.823 27.948 -2.505 1.00 52.32 C ATOM 25 CG PRO A 24 -21.272 28.816 -1.391 1.00 59.70 C ATOM 26 CD PRO A 24 -21.772 27.868 -0.347 1.00 56.17 C ATOM 27 N ILE A 25 -20.491 24.770 -1.993 1.00 48.45 N ATOM 28 CA ILE A 25 -19.837 23.475 -2.226 1.00 46.63 C ATOM 29 C ILE A 25 -20.889 22.402 -2.568 1.00 49.22 C ATOM 30 O ILE A 25 -20.696 21.663 -3.531 1.00 46.74 O ATOM 31 CB ILE A 25 -18.855 23.059 -1.071 1.00 50.67 C ATOM 32 CG1 ILE A 25 -18.236 21.654 -1.278 1.00 49.47 C ATOM 33 CG2 ILE A 25 -19.483 23.176 0.320 1.00 54.39 C ATOM 34 CD1 ILE A 25 -17.009 21.595 -2.154 1.00 55.56 C ATOM 35 H ILE A 25 -20.451 25.170 -1.034 1.00 0.00 H ATOM 36 N GLN A 26 -22.020 22.371 -1.825 1.00 47.40 N ATOM 37 CA GLN A 26 -23.117 21.413 -2.024 1.00 46.98 C ATOM 38 C GLN A 26 -23.761 21.558 -3.403 1.00 50.14 C ATOM 39 O GLN A 26 -24.005 20.547 -4.065 1.00 48.35 O ATOM 40 CB GLN A 26 -24.173 21.534 -0.915 1.00 51.00 C ATOM 41 CG GLN A 26 -23.754 20.895 0.404 1.00 62.94 C ATOM 42 CD GLN A 26 -24.700 21.215 1.538 1.00 81.29 C ATOM 43 OE1 GLN A 26 -24.999 22.379 1.834 1.00 78.25 O ATOM 44 NE2 GLN A 26 -25.154 20.186 2.234 1.00 71.86 N ATOM 45 HE22 GLN A 26 -24.888 19.218 1.964 1.00 0.00 H ATOM 46 HE21 GLN A 26 -25.777 20.345 3.051 1.00 0.00 H ATOM 47 H GLN A 26 -22.119 23.071 -1.063 1.00 0.00 H ATOM 48 N GLN A 27 -23.986 22.815 -3.849 1.00 47.46 N ATOM 49 CA GLN A 27 -24.563 23.137 -5.158 1.00 47.18 C ATOM 50 C GLN A 27 -23.654 22.679 -6.301 1.00 49.27 C ATOM 51 O GLN A 27 -24.143 22.110 -7.280 1.00 48.43 O ATOM 52 CB GLN A 27 -24.879 24.641 -5.273 1.00 50.18 C ATOM 53 CG GLN A 27 -26.093 25.091 -4.457 1.00 64.22 C ATOM 54 CD GLN A 27 -27.382 24.438 -4.900 1.00 82.15 C ATOM 55 OE1 GLN A 27 -27.855 24.627 -6.027 1.00 77.67 O ATOM 56 NE2 GLN A 27 -27.975 23.649 -4.019 1.00 74.31 N ATOM 57 HE22 GLN A 27 -27.553 23.510 -3.079 1.00 0.00 H ATOM 58 HE21 GLN A 27 -28.863 23.168 -4.267 1.00 0.00 H ATOM 59 H GLN A 27 -23.733 23.605 -3.222 1.00 0.00 H ATOM 60 N LEU A 28 -22.330 22.895 -6.157 1.00 44.82 N ATOM 61 CA LEU A 28 -21.338 22.482 -7.150 1.00 42.81 C ATOM 62 C LEU A 28 -21.238 20.956 -7.238 1.00 44.62 C ATOM 63 O LEU A 28 -21.154 20.412 -8.342 1.00 42.85 O ATOM 64 CB LEU A 28 -19.958 23.114 -6.865 1.00 42.82 C ATOM 65 CG LEU A 28 -19.751 24.574 -7.336 1.00 49.20 C ATOM 66 CD1 LEU A 28 -18.499 25.174 -6.739 1.00 49.81 C ATOM 67 CD2 LEU A 28 -19.655 24.673 -8.846 1.00 51.81 C ATOM 68 H LEU A 28 -21.998 23.379 -5.298 1.00 0.00 H ATOM 69 N LEU A 29 -21.267 20.268 -6.082 1.00 41.33 N ATOM 70 CA LEU A 29 -21.193 18.806 -6.033 1.00 39.82 C ATOM 71 C LEU A 29 -22.463 18.139 -6.557 1.00 43.75 C ATOM 72 O LEU A 29 -22.364 17.104 -7.219 1.00 41.79 O ATOM 73 CB LEU A 29 -20.806 18.285 -4.640 1.00 40.25 C ATOM 74 CG LEU A 29 -19.421 18.695 -4.111 1.00 44.62 C ATOM 75 CD1 LEU A 29 -19.219 18.204 -2.703 1.00 45.64 C ATOM 76 CD2 LEU A 29 -18.296 18.217 -5.013 1.00 45.81 C ATOM 77 H LEU A 29 -21.345 20.795 -5.189 1.00 0.00 H ATOM 78 N GLU A 30 -23.644 18.749 -6.305 1.00 42.51 N ATOM 79 CA GLU A 30 -24.929 18.251 -6.809 1.00 43.33 C ATOM 80 C GLU A 30 -24.962 18.339 -8.338 1.00 46.74 C ATOM 81 O GLU A 30 -25.460 17.417 -8.988 1.00 46.29 O ATOM 82 CB GLU A 30 -26.111 19.016 -6.188 1.00 47.35 C ATOM 83 CG GLU A 30 -26.543 18.455 -4.846 1.00 59.06 C ATOM 84 CD GLU A 30 -27.628 19.252 -4.153 1.00 83.83 C ATOM 85 OE1 GLU A 30 -27.288 20.130 -3.327 1.00 79.35 O ATOM 86 OE2 GLU A 30 -28.821 19.003 -4.439 1.00 80.22 O ATOM 87 H GLU A 30 -23.641 19.613 -5.726 1.00 0.00 H ATOM 88 N HIS A 31 -24.393 19.431 -8.907 1.00 43.16 N ATOM 89 CA HIS A 31 -24.287 19.643 -10.353 1.00 42.72 C ATOM 90 C HIS A 31 -23.432 18.531 -10.978 1.00 43.02 C ATOM 91 O HIS A 31 -23.869 17.907 -11.948 1.00 42.35 O ATOM 92 CB HIS A 31 -23.708 21.037 -10.671 1.00 44.11 C ATOM 93 CG HIS A 31 -23.179 21.168 -12.068 1.00 47.12 C ATOM 94 ND1 HIS A 31 -24.027 21.328 -13.147 1.00 50.38 N ATOM 95 CD2 HIS A 31 -21.902 21.137 -12.515 1.00 47.52 C ATOM 96 CE1 HIS A 31 -23.243 21.395 -14.211 1.00 49.17 C ATOM 97 NE2 HIS A 31 -21.957 21.286 -13.879 1.00 47.83 N ATOM 98 H HIS A 31 -24.008 20.164 -8.277 1.00 0.00 H ATOM 99 N PHE A 32 -22.233 18.272 -10.403 1.00 37.64 N ATOM 100 CA PHE A 32 -21.330 17.218 -10.874 1.00 35.39 C ATOM 101 C PHE A 32 -21.997 15.847 -10.783 1.00 38.45 C ATOM 102 O PHE A 32 -21.914 15.082 -11.740 1.00 37.64 O ATOM 103 CB PHE A 32 -19.992 17.212 -10.107 1.00 36.20 C ATOM 104 CG PHE A 32 -19.015 18.328 -10.423 1.00 38.06 C ATOM 105 CD1 PHE A 32 -18.876 18.812 -11.720 1.00 41.23 C ATOM 106 CD2 PHE A 32 -18.185 18.847 -9.436 1.00 40.81 C ATOM 107 CE1 PHE A 32 -17.954 19.827 -12.015 1.00 42.72 C ATOM 108 CE2 PHE A 32 -17.264 19.867 -9.732 1.00 44.24 C ATOM 109 CZ PHE A 32 -17.155 20.349 -11.019 1.00 42.40 C ATOM 110 H PHE A 32 -21.939 18.848 -9.589 1.00 0.00 H ATOM 111 N LEU A 33 -22.702 15.564 -9.669 1.00 35.45 N ATOM 112 CA LEU A 33 -23.400 14.290 -9.463 1.00 35.15 C ATOM 113 C LEU A 33 -24.532 14.072 -10.478 1.00 40.19 C ATOM 114 O LEU A 33 -24.643 12.970 -11.021 1.00 39.21 O ATOM 115 CB LEU A 33 -23.909 14.154 -8.016 1.00 36.10 C ATOM 116 CG LEU A 33 -24.446 12.777 -7.605 1.00 40.87 C ATOM 117 CD1 LEU A 33 -23.315 11.800 -7.308 1.00 39.19 C ATOM 118 CD2 LEU A 33 -25.349 12.897 -6.409 1.00 45.59 C ATOM 119 H LEU A 33 -22.753 16.283 -8.920 1.00 0.00 H ATOM 120 N ARG A 34 -25.340 15.125 -10.756 1.00 38.68 N ATOM 121 CA ARG A 34 -26.438 15.067 -11.730 1.00 40.33 C ATOM 122 C ARG A 34 -25.920 14.720 -13.126 1.00 44.06 C ATOM 123 O ARG A 34 -26.495 13.861 -13.803 1.00 44.19 O ATOM 124 CB ARG A 34 -27.215 16.393 -11.776 1.00 42.31 C ATOM 125 CG ARG A 34 -28.262 16.538 -10.681 1.00 53.04 C ATOM 126 CD ARG A 34 -29.235 17.680 -10.952 1.00 62.04 C ATOM 127 NE ARG A 34 -28.559 18.965 -11.154 1.00 67.83 N ATOM 128 CZ ARG A 34 -28.230 19.808 -10.179 1.00 81.36 C ATOM 129 NH1 ARG A 34 -28.516 19.519 -8.915 1.00 68.46 N ATOM 130 NH2 ARG A 34 -27.613 20.947 -10.461 1.00 68.11 N ATOM 131 HE ARG A 34 -28.320 19.237 -12.129 1.00 0.00 H ATOM 132 HH12 ARG A 34 -28.256 20.183 -8.158 1.00 0.00 H ATOM 133 HH11 ARG A 34 -29.000 18.629 -8.682 1.00 0.00 H ATOM 134 HH22 ARG A 34 -27.358 21.603 -9.696 1.00 0.00 H ATOM 135 HH21 ARG A 34 -27.384 21.184 -11.447 1.00 0.00 H ATOM 136 H ARG A 34 -25.174 16.020 -10.253 1.00 0.00 H ATOM 137 N GLN A 35 -24.836 15.398 -13.552 1.00 40.24 N ATOM 138 CA GLN A 35 -24.199 15.180 -14.846 1.00 40.10 C ATOM 139 C GLN A 35 -23.625 13.768 -14.946 1.00 42.68 C ATOM 140 O GLN A 35 -23.667 13.178 -16.025 1.00 43.14 O ATOM 141 CB GLN A 35 -23.125 16.246 -15.105 1.00 41.13 C ATOM 142 CG GLN A 35 -23.440 17.184 -16.275 1.00 62.86 C ATOM 143 CD GLN A 35 -24.759 17.908 -16.136 1.00 87.89 C ATOM 144 OE1 GLN A 35 -24.967 18.717 -15.225 1.00 85.11 O ATOM 145 NE2 GLN A 35 -25.683 17.625 -17.041 1.00 82.95 N ATOM 146 HE22 GLN A 35 -25.479 16.940 -17.796 1.00 0.00 H ATOM 147 HE21 GLN A 35 -26.613 18.088 -16.997 1.00 0.00 H ATOM 148 H GLN A 35 -24.430 16.119 -12.921 1.00 0.00 H ATOM 149 N LEU A 36 -23.133 13.215 -13.814 1.00 37.87 N ATOM 150 CA LEU A 36 -22.594 11.851 -13.735 1.00 36.41 C ATOM 151 C LEU A 36 -23.708 10.812 -13.832 1.00 40.80 C ATOM 152 O LEU A 36 -23.567 9.840 -14.574 1.00 39.59 O ATOM 153 CB LEU A 36 -21.784 11.638 -12.440 1.00 35.33 C ATOM 154 CG LEU A 36 -20.420 12.322 -12.360 1.00 39.46 C ATOM 155 CD1 LEU A 36 -19.849 12.246 -10.960 1.00 39.14 C ATOM 156 CD2 LEU A 36 -19.454 11.761 -13.370 1.00 41.79 C ATOM 157 H LEU A 36 -23.137 13.790 -12.947 1.00 0.00 H ATOM 158 N GLN A 37 -24.819 11.028 -13.095 1.00 39.08 N ATOM 159 CA GLN A 37 -25.993 10.143 -13.071 1.00 40.27 C ATOM 160 C GLN A 37 -26.708 10.060 -14.423 1.00 45.59 C ATOM 161 O GLN A 37 -27.319 9.032 -14.732 1.00 45.91 O ATOM 162 CB GLN A 37 -26.961 10.536 -11.944 1.00 42.98 C ATOM 163 CG GLN A 37 -26.422 10.207 -10.554 1.00 53.49 C ATOM 164 CD GLN A 37 -27.504 9.843 -9.571 1.00 70.58 C ATOM 165 OE1 GLN A 37 -27.885 10.647 -8.715 1.00 67.01 O ATOM 166 NE2 GLN A 37 -27.985 8.601 -9.638 1.00 60.41 N ATOM 167 HE22 GLN A 37 -27.642 7.949 -10.372 1.00 0.00 H ATOM 168 HE21 GLN A 37 -28.703 8.284 -8.956 1.00 0.00 H ATOM 169 H GLN A 37 -24.846 11.882 -12.502 1.00 0.00 H ATOM 170 N ARG A 38 -26.592 11.135 -15.234 1.00 42.78 N ATOM 171 CA ARG A 38 -27.138 11.258 -16.588 1.00 44.71 C ATOM 172 C ARG A 38 -26.510 10.199 -17.513 1.00 47.97 C ATOM 173 O ARG A 38 -27.175 9.697 -18.418 1.00 49.18 O ATOM 174 CB ARG A 38 -26.835 12.663 -17.129 1.00 46.15 C ATOM 175 CG ARG A 38 -27.948 13.288 -17.947 1.00 61.47 C ATOM 176 CD ARG A 38 -27.576 14.718 -18.302 1.00 73.64 C ATOM 177 NE ARG A 38 -28.745 15.555 -18.585 1.00 88.05 N ATOM 178 CZ ARG A 38 -29.358 16.325 -17.689 1.00105.30 C ATOM 179 NH1 ARG A 38 -30.408 17.054 -18.043 1.00 96.42 N ATOM 180 NH2 ARG A 38 -28.935 16.361 -16.433 1.00 91.32 N ATOM 181 HE ARG A 38 -29.122 15.547 -19.554 1.00 0.00 H ATOM 182 HH12 ARG A 38 -30.885 17.655 -17.340 1.00 0.00 H ATOM 183 HH11 ARG A 38 -30.755 17.025 -19.023 1.00 0.00 H ATOM 184 HH22 ARG A 38 -29.419 16.965 -15.738 1.00 0.00 H ATOM 185 HH21 ARG A 38 -28.119 15.785 -16.142 1.00 0.00 H ATOM 186 H ARG A 38 -26.066 11.951 -14.862 1.00 0.00 H ATOM 187 N LYS A 39 -25.231 9.852 -17.257 1.00 42.49 N ATOM 188 CA LYS A 39 -24.443 8.858 -18.001 1.00 41.62 C ATOM 189 C LYS A 39 -24.817 7.406 -17.635 1.00 45.32 C ATOM 190 O LYS A 39 -24.362 6.470 -18.300 1.00 44.72 O ATOM 191 CB LYS A 39 -22.935 9.100 -17.805 1.00 42.17 C ATOM 192 CG LYS A 39 -22.469 10.478 -18.253 1.00 55.43 C ATOM 193 CD LYS A 39 -21.062 10.778 -17.771 1.00 62.91 C ATOM 194 CE LYS A 39 -20.690 12.239 -17.954 1.00 72.68 C ATOM 195 NZ LYS A 39 -20.504 12.613 -19.386 1.00 82.82 N ATOM 196 HZ1 LYS A 39 -19.742 12.037 -19.797 1.00 0.00 H ATOM 197 HZ2 LYS A 39 -21.389 12.442 -19.905 1.00 0.00 H ATOM 198 HZ3 LYS A 39 -20.252 13.620 -19.450 1.00 0.00 H ATOM 199 H LYS A 39 -24.761 10.330 -16.462 1.00 0.00 H ATOM 200 N ASP A 40 -25.657 7.229 -16.596 1.00 42.25 N ATOM 201 CA ASP A 40 -26.155 5.932 -16.134 1.00 42.13 C ATOM 202 C ASP A 40 -27.714 5.947 -16.173 1.00 49.86 C ATOM 203 O ASP A 40 -28.356 6.088 -15.126 1.00 49.89 O ATOM 204 CB ASP A 40 -25.580 5.609 -14.734 1.00 41.67 C ATOM 205 CG ASP A 40 -26.113 4.368 -14.033 1.00 47.55 C ATOM 206 OD1 ASP A 40 -26.368 3.350 -14.723 1.00 47.94 O ATOM 207 OD2 ASP A 40 -26.262 4.411 -12.795 1.00 50.96 O ATOM 208 H ASP A 40 -25.975 8.077 -16.084 1.00 0.00 H ATOM 209 N PRO A 41 -28.340 5.842 -17.381 1.00 49.69 N ATOM 210 CA PRO A 41 -29.813 5.900 -17.456 1.00 53.02 C ATOM 211 C PRO A 41 -30.563 4.713 -16.852 1.00 58.81 C ATOM 212 O PRO A 41 -31.728 4.871 -16.481 1.00 61.23 O ATOM 213 CB PRO A 41 -30.085 6.025 -18.957 1.00 56.98 C ATOM 214 CG PRO A 41 -28.923 5.377 -19.603 1.00 59.42 C ATOM 215 CD PRO A 41 -27.748 5.707 -18.731 1.00 51.60 C ATOM 216 N HIS A 42 -29.914 3.534 -16.763 1.00 53.74 N ATOM 217 CA HIS A 42 -30.528 2.325 -16.202 1.00 54.54 C ATOM 218 C HIS A 42 -30.402 2.236 -14.672 1.00 56.46 C ATOM 219 O HIS A 42 -30.946 1.311 -14.064 1.00 57.13 O ATOM 220 CB HIS A 42 -29.987 1.059 -16.887 1.00 54.90 C ATOM 221 CG HIS A 42 -30.247 1.014 -18.360 1.00 60.60 C ATOM 222 ND1 HIS A 42 -29.222 1.157 -19.276 1.00 61.30 N ATOM 223 CD2 HIS A 42 -31.413 0.857 -19.029 1.00 65.98 C ATOM 224 CE1 HIS A 42 -29.790 1.073 -20.468 1.00 63.50 C ATOM 225 NE2 HIS A 42 -31.108 0.897 -20.370 1.00 66.74 N ATOM 226 H HIS A 42 -28.934 3.479 -17.107 1.00 0.00 H ATOM 227 N GLY A 43 -29.703 3.205 -14.078 1.00 50.55 N ATOM 228 CA GLY A 43 -29.488 3.309 -12.639 1.00 49.13 C ATOM 229 C GLY A 43 -28.708 2.168 -12.020 1.00 50.50 C ATOM 230 O GLY A 43 -29.005 1.777 -10.889 1.00 50.28 O ATOM 231 H GLY A 43 -29.282 3.938 -14.684 1.00 0.00 H ATOM 232 N PHE A 44 -27.697 1.632 -12.746 1.00 45.10 N ATOM 233 CA PHE A 44 -26.852 0.533 -12.259 1.00 43.06 C ATOM 234 C PHE A 44 -26.029 0.952 -11.040 1.00 44.52 C ATOM 235 O PHE A 44 -25.752 0.118 -10.183 1.00 43.51 O ATOM 236 CB PHE A 44 -25.912 0.004 -13.361 1.00 43.82 C ATOM 237 CG PHE A 44 -26.554 -0.615 -14.583 1.00 47.44 C ATOM 238 CD1 PHE A 44 -27.571 -1.554 -14.457 1.00 52.72 C ATOM 239 CD2 PHE A 44 -26.087 -0.319 -15.858 1.00 49.90 C ATOM 240 CE1 PHE A 44 -28.151 -2.137 -15.592 1.00 55.58 C ATOM 241 CE2 PHE A 44 -26.661 -0.907 -16.990 1.00 54.74 C ATOM 242 CZ PHE A 44 -27.687 -1.813 -16.850 1.00 54.65 C ATOM 243 H PHE A 44 -27.510 2.017 -13.694 1.00 0.00 H ATOM 244 N PHE A 45 -25.647 2.240 -10.964 1.00 40.17 N ATOM 245 CA PHE A 45 -24.829 2.788 -9.881 1.00 38.62 C ATOM 246 C PHE A 45 -25.615 3.656 -8.882 1.00 44.14 C ATOM 247 O PHE A 45 -25.011 4.295 -8.019 1.00 42.92 O ATOM 248 CB PHE A 45 -23.643 3.567 -10.474 1.00 38.70 C ATOM 249 CG PHE A 45 -22.706 2.725 -11.308 1.00 38.71 C ATOM 250 CD1 PHE A 45 -21.744 1.921 -10.706 1.00 40.34 C ATOM 251 CD2 PHE A 45 -22.776 2.744 -12.695 1.00 41.09 C ATOM 252 CE1 PHE A 45 -20.877 1.140 -11.479 1.00 40.26 C ATOM 253 CE2 PHE A 45 -21.906 1.962 -13.468 1.00 43.05 C ATOM 254 CZ PHE A 45 -20.966 1.162 -12.855 1.00 39.78 C ATOM 255 H PHE A 45 -25.951 2.885 -11.721 1.00 0.00 H ATOM 256 N ALA A 46 -26.950 3.658 -8.980 1.00 43.35 N ATOM 257 CA ALA A 46 -27.817 4.468 -8.123 1.00 45.47 C ATOM 258 C ALA A 46 -27.953 3.968 -6.679 1.00 51.45 C ATOM 259 O ALA A 46 -28.161 4.778 -5.771 1.00 51.89 O ATOM 260 CB ALA A 46 -29.193 4.594 -8.761 1.00 48.65 C ATOM 261 H ALA A 46 -27.393 3.054 -9.701 1.00 0.00 H ATOM 262 N PHE A 47 -27.843 2.641 -6.479 1.00 48.83 N ATOM 263 CA PHE A 47 -28.065 1.920 -5.220 1.00 50.47 C ATOM 264 C PHE A 47 -26.876 1.032 -4.772 1.00 50.99 C ATOM 265 O PHE A 47 -26.166 0.542 -5.649 1.00 48.74 O ATOM 266 CB PHE A 47 -29.318 1.025 -5.410 1.00 55.23 C ATOM 267 CG PHE A 47 -29.190 -0.032 -6.496 1.00 56.72 C ATOM 268 CD1 PHE A 47 -28.869 -1.347 -6.177 1.00 60.07 C ATOM 269 CD2 PHE A 47 -29.384 0.291 -7.836 1.00 59.25 C ATOM 270 CE1 PHE A 47 -28.727 -2.315 -7.177 1.00 60.48 C ATOM 271 CE2 PHE A 47 -29.239 -0.679 -8.836 1.00 61.77 C ATOM 272 CZ PHE A 47 -28.917 -1.976 -8.499 1.00 59.49 C ATOM 273 H PHE A 47 -27.572 2.067 -7.303 1.00 0.00 H ATOM 274 N PRO A 48 -26.684 0.719 -3.453 1.00 47.31 N ATOM 275 CA PRO A 48 -25.599 -0.217 -3.068 1.00 45.43 C ATOM 276 C PRO A 48 -25.839 -1.618 -3.624 1.00 47.95 C ATOM 277 O PRO A 48 -26.992 -2.030 -3.722 1.00 48.99 O ATOM 278 CB PRO A 48 -25.665 -0.242 -1.534 1.00 49.16 C ATOM 279 CG PRO A 48 -26.437 0.978 -1.153 1.00 55.38 C ATOM 280 CD PRO A 48 -27.422 1.185 -2.262 1.00 51.34 C ATOM 281 N VAL A 49 -24.763 -2.330 -4.000 1.00 41.97 N ATOM 282 CA VAL A 49 -24.866 -3.680 -4.557 1.00 41.31 C ATOM 283 C VAL A 49 -24.993 -4.693 -3.410 1.00 46.52 C ATOM 284 O VAL A 49 -24.110 -4.758 -2.557 1.00 45.94 O ATOM 285 CB VAL A 49 -23.683 -4.022 -5.508 1.00 42.70 C ATOM 286 CG1 VAL A 49 -23.914 -5.353 -6.214 1.00 42.35 C ATOM 287 CG2 VAL A 49 -23.444 -2.913 -6.529 1.00 41.35 C ATOM 288 H VAL A 49 -23.820 -1.905 -3.891 1.00 0.00 H ATOM 289 N THR A 50 -26.080 -5.483 -3.396 1.00 44.59 N ATOM 290 CA THR A 50 -26.327 -6.496 -2.360 1.00 46.02 C ATOM 291 C THR A 50 -25.837 -7.863 -2.823 1.00 48.33 C ATOM 292 O THR A 50 -25.707 -8.092 -4.029 1.00 46.15 O ATOM 293 CB THR A 50 -27.821 -6.555 -1.978 1.00 56.54 C ATOM 294 OG1 THR A 50 -28.597 -6.884 -3.132 1.00 56.47 O ATOM 295 CG2 THR A 50 -28.325 -5.257 -1.337 1.00 56.84 C ATOM 296 HG1 THR A 50 -28.461 -6.193 -3.828 1.00 0.00 H ATOM 297 H THR A 50 -26.781 -5.372 -4.156 1.00 0.00 H ATOM 298 N ASP A 51 -25.591 -8.781 -1.869 1.00 46.34 N ATOM 299 CA ASP A 51 -25.151 -10.148 -2.164 1.00 45.82 C ATOM 300 C ASP A 51 -26.244 -10.963 -2.867 1.00 51.65 C ATOM 301 O ASP A 51 -25.926 -11.896 -3.604 1.00 50.43 O ATOM 302 CB ASP A 51 -24.660 -10.861 -0.895 1.00 48.85 C ATOM 303 CG ASP A 51 -23.359 -10.328 -0.321 1.00 56.83 C ATOM 304 OD1 ASP A 51 -22.622 -9.628 -1.057 1.00 54.64 O ATOM 305 OD2 ASP A 51 -23.068 -10.624 0.856 1.00 63.74 O ATOM 306 H ASP A 51 -25.719 -8.507 -0.874 1.00 0.00 H ATOM 307 N ALA A 52 -27.526 -10.591 -2.655 1.00 51.06 N ATOM 308 CA ALA A 52 -28.690 -11.225 -3.284 1.00 52.83 C ATOM 309 C ALA A 52 -28.694 -10.947 -4.794 1.00 55.71 C ATOM 310 O ALA A 52 -29.025 -11.830 -5.587 1.00 55.83 O ATOM 311 CB ALA A 52 -29.971 -10.701 -2.654 1.00 56.56 C ATOM 312 H ALA A 52 -27.699 -9.801 -2.001 1.00 0.00 H ATOM 313 N ILE A 53 -28.298 -9.714 -5.175 1.00 51.23 N ATOM 314 CA ILE A 53 -28.203 -9.251 -6.559 1.00 49.86 C ATOM 315 C ILE A 53 -26.895 -9.757 -7.197 1.00 51.39 C ATOM 316 O ILE A 53 -26.938 -10.316 -8.294 1.00 51.21 O ATOM 317 CB ILE A 53 -28.425 -7.708 -6.646 1.00 52.87 C ATOM 318 CG1 ILE A 53 -29.942 -7.385 -6.521 1.00 56.49 C ATOM 319 CG2 ILE A 53 -27.821 -7.095 -7.928 1.00 51.83 C ATOM 320 CD1 ILE A 53 -30.344 -5.902 -6.340 1.00 65.73 C ATOM 321 H ILE A 53 -28.040 -9.041 -4.426 1.00 0.00 H ATOM 322 N ALA A 54 -25.753 -9.609 -6.496 1.00 45.78 N ATOM 323 CA ALA A 54 -24.454 -10.069 -6.989 1.00 43.28 C ATOM 324 C ALA A 54 -23.776 -11.035 -5.988 1.00 46.81 C ATOM 325 O ALA A 54 -23.314 -10.586 -4.938 1.00 46.13 O ATOM 326 CB ALA A 54 -23.557 -8.879 -7.295 1.00 42.19 C ATOM 327 H ALA A 54 -25.797 -9.148 -5.565 1.00 0.00 H ATOM 328 N PRO A 55 -23.730 -12.362 -6.285 1.00 43.81 N ATOM 329 CA PRO A 55 -23.134 -13.325 -5.335 1.00 43.77 C ATOM 330 C PRO A 55 -21.662 -13.094 -4.991 1.00 44.90 C ATOM 331 O PRO A 55 -20.838 -12.861 -5.878 1.00 42.53 O ATOM 332 CB PRO A 55 -23.351 -14.682 -6.018 1.00 46.06 C ATOM 333 CG PRO A 55 -24.471 -14.455 -6.972 1.00 51.48 C ATOM 334 CD PRO A 55 -24.275 -13.058 -7.466 1.00 45.94 C ATOM 335 N GLY A 56 -21.362 -13.141 -3.696 1.00 41.50 N ATOM 336 CA GLY A 56 -20.017 -12.949 -3.163 1.00 39.90 C ATOM 337 C GLY A 56 -19.468 -11.540 -3.274 1.00 40.53 C ATOM 338 O GLY A 56 -18.253 -11.353 -3.181 1.00 39.54 O ATOM 339 H GLY A 56 -22.133 -13.326 -3.022 1.00 0.00 H ATOM 340 N TYR A 57 -20.351 -10.536 -3.463 1.00 35.10 N ATOM 341 CA TYR A 57 -19.978 -9.123 -3.583 1.00 33.12 C ATOM 342 C TYR A 57 -19.295 -8.561 -2.332 1.00 36.66 C ATOM 343 O TYR A 57 -18.254 -7.917 -2.461 1.00 35.03 O ATOM 344 CB TYR A 57 -21.180 -8.246 -3.991 1.00 33.89 C ATOM 345 CG TYR A 57 -20.770 -6.870 -4.466 1.00 33.16 C ATOM 346 CD1 TYR A 57 -20.404 -6.649 -5.790 1.00 33.23 C ATOM 347 CD2 TYR A 57 -20.722 -5.793 -3.586 1.00 34.39 C ATOM 348 CE1 TYR A 57 -20.002 -5.389 -6.229 1.00 32.68 C ATOM 349 CE2 TYR A 57 -20.316 -4.529 -4.011 1.00 34.27 C ATOM 350 CZ TYR A 57 -19.965 -4.330 -5.336 1.00 38.54 C ATOM 351 OH TYR A 57 -19.569 -3.090 -5.767 1.00 36.70 O ATOM 352 HH TYR A 57 -19.357 -3.130 -6.733 1.00 0.00 H ATOM 353 H TYR A 57 -21.360 -10.780 -3.528 1.00 0.00 H ATOM 354 N SER A 58 -19.874 -8.804 -1.139 1.00 34.68 N ATOM 355 CA SER A 58 -19.346 -8.330 0.150 1.00 35.87 C ATOM 356 C SER A 58 -17.969 -8.943 0.499 1.00 40.35 C ATOM 357 O SER A 58 -17.225 -8.372 1.301 1.00 41.09 O ATOM 358 CB SER A 58 -20.344 -8.612 1.270 1.00 40.76 C ATOM 359 OG SER A 58 -20.497 -10.006 1.479 1.00 46.87 O ATOM 360 HG SER A 58 -19.623 -10.399 1.727 1.00 0.00 H ATOM 361 H SER A 58 -20.751 -9.363 -1.129 1.00 0.00 H ATOM 362 N MET A 59 -17.662 -10.120 -0.104 1.00 36.79 N ATOM 363 CA MET A 59 -16.431 -10.906 0.051 1.00 37.09 C ATOM 364 C MET A 59 -15.283 -10.369 -0.816 1.00 37.29 C ATOM 365 O MET A 59 -14.117 -10.573 -0.475 1.00 36.81 O ATOM 366 CB MET A 59 -16.706 -12.381 -0.302 1.00 40.25 C ATOM 367 CG MET A 59 -15.631 -13.339 0.183 1.00 45.93 C ATOM 368 SD MET A 59 -16.098 -15.075 0.071 1.00 52.10 S ATOM 369 CE MET A 59 -17.236 -15.193 1.443 1.00 51.57 C ATOM 370 H MET A 59 -18.380 -10.509 -0.748 1.00 0.00 H ATOM 371 N ILE A 60 -15.618 -9.709 -1.937 1.00 31.36 N ATOM 372 CA ILE A 60 -14.674 -9.156 -2.909 1.00 29.49 C ATOM 373 C ILE A 60 -14.525 -7.636 -2.724 1.00 32.06 C ATOM 374 O ILE A 60 -13.404 -7.134 -2.711 1.00 31.24 O ATOM 375 CB ILE A 60 -15.116 -9.569 -4.345 1.00 31.74 C ATOM 376 CG1 ILE A 60 -15.014 -11.104 -4.544 1.00 33.06 C ATOM 377 CG2 ILE A 60 -14.309 -8.831 -5.415 1.00 31.52 C ATOM 378 CD1 ILE A 60 -15.995 -11.727 -5.578 1.00 44.34 C ATOM 379 H ILE A 60 -16.632 -9.580 -2.130 1.00 0.00 H ATOM 380 N ILE A 61 -15.653 -6.925 -2.573 1.00 28.32 N ATOM 381 CA ILE A 61 -15.699 -5.473 -2.409 1.00 28.44 C ATOM 382 C ILE A 61 -15.917 -5.134 -0.940 1.00 35.40 C ATOM 383 O ILE A 61 -16.995 -5.378 -0.392 1.00 36.10 O ATOM 384 CB ILE A 61 -16.758 -4.835 -3.361 1.00 30.28 C ATOM 385 CG1 ILE A 61 -16.498 -5.187 -4.861 1.00 28.96 C ATOM 386 CG2 ILE A 61 -16.909 -3.326 -3.141 1.00 30.58 C ATOM 387 CD1 ILE A 61 -15.053 -4.906 -5.452 1.00 35.34 C ATOM 388 H ILE A 61 -16.556 -7.442 -2.573 1.00 0.00 H ATOM 389 N LYS A 62 -14.874 -4.593 -0.305 1.00 33.62 N ATOM 390 CA LYS A 62 -14.891 -4.230 1.113 1.00 36.34 C ATOM 391 C LYS A 62 -15.160 -2.747 1.366 1.00 42.02 C ATOM 392 O LYS A 62 -15.498 -2.369 2.492 1.00 43.77 O ATOM 393 CB LYS A 62 -13.603 -4.693 1.818 1.00 40.63 C ATOM 394 CG LYS A 62 -13.369 -6.197 1.666 1.00 55.74 C ATOM 395 CD LYS A 62 -12.793 -6.884 2.876 1.00 70.67 C ATOM 396 CE LYS A 62 -12.893 -8.382 2.720 1.00 82.60 C ATOM 397 NZ LYS A 62 -14.197 -8.893 3.221 1.00 92.60 N ATOM 398 HZ1 LYS A 62 -14.296 -8.658 4.229 1.00 0.00 H ATOM 399 HZ2 LYS A 62 -14.970 -8.452 2.684 1.00 0.00 H ATOM 400 HZ3 LYS A 62 -14.233 -9.925 3.099 1.00 0.00 H ATOM 401 H LYS A 62 -14.003 -4.420 -0.847 1.00 0.00 H ATOM 402 N HIS A 63 -15.057 -1.913 0.316 1.00 37.75 N ATOM 403 CA HIS A 63 -15.325 -0.473 0.409 1.00 38.56 C ATOM 404 C HIS A 63 -16.411 -0.094 -0.612 1.00 40.44 C ATOM 405 O HIS A 63 -16.100 0.521 -1.638 1.00 38.59 O ATOM 406 CB HIS A 63 -14.030 0.335 0.218 1.00 39.59 C ATOM 407 CG HIS A 63 -12.962 -0.017 1.207 1.00 45.20 C ATOM 408 ND1 HIS A 63 -12.792 0.708 2.372 1.00 49.64 N ATOM 409 CD2 HIS A 63 -12.062 -1.029 1.187 1.00 47.51 C ATOM 410 CE1 HIS A 63 -11.788 0.131 3.013 1.00 50.68 C ATOM 411 NE2 HIS A 63 -11.320 -0.921 2.342 1.00 49.84 N ATOM 412 H HIS A 63 -14.774 -2.307 -0.604 1.00 0.00 H ATOM 413 N PRO A 64 -17.690 -0.494 -0.380 1.00 37.32 N ATOM 414 CA PRO A 64 -18.736 -0.195 -1.369 1.00 35.99 C ATOM 415 C PRO A 64 -19.047 1.287 -1.505 1.00 38.77 C ATOM 416 O PRO A 64 -18.891 2.049 -0.550 1.00 39.88 O ATOM 417 CB PRO A 64 -19.946 -0.978 -0.853 1.00 39.28 C ATOM 418 CG PRO A 64 -19.730 -1.095 0.602 1.00 45.96 C ATOM 419 CD PRO A 64 -18.249 -1.242 0.768 1.00 40.86 C ATOM 420 N MET A 65 -19.479 1.683 -2.707 1.00 32.88 N ATOM 421 CA MET A 65 -19.855 3.057 -3.037 1.00 32.11 C ATOM 422 C MET A 65 -20.882 3.053 -4.169 1.00 36.00 C ATOM 423 O MET A 65 -20.869 2.160 -5.021 1.00 34.99 O ATOM 424 CB MET A 65 -18.609 3.899 -3.395 1.00 32.93 C ATOM 425 CG MET A 65 -18.851 5.416 -3.437 1.00 36.48 C ATOM 426 SD MET A 65 -19.687 6.145 -1.995 1.00 42.57 S ATOM 427 CE MET A 65 -18.472 5.836 -0.714 1.00 40.32 C ATOM 428 H MET A 65 -19.552 0.966 -3.457 1.00 0.00 H ATOM 429 N ASP A 66 -21.791 4.036 -4.149 1.00 33.66 N ATOM 430 CA ASP A 66 -22.847 4.226 -5.141 1.00 33.74 C ATOM 431 C ASP A 66 -23.273 5.696 -5.149 1.00 38.08 C ATOM 432 O ASP A 66 -22.982 6.415 -4.190 1.00 38.46 O ATOM 433 CB ASP A 66 -24.049 3.305 -4.850 1.00 37.08 C ATOM 434 CG ASP A 66 -24.772 3.624 -3.559 1.00 48.66 C ATOM 435 OD1 ASP A 66 -24.261 3.248 -2.488 1.00 49.66 O ATOM 436 OD2 ASP A 66 -25.848 4.253 -3.624 1.00 54.69 O ATOM 437 H ASP A 66 -21.742 4.718 -3.366 1.00 0.00 H ATOM 438 N PHE A 67 -23.962 6.135 -6.222 1.00 34.80 N ATOM 439 CA PHE A 67 -24.451 7.509 -6.392 1.00 35.55 C ATOM 440 C PHE A 67 -25.371 7.982 -5.258 1.00 41.98 C ATOM 441 O PHE A 67 -25.339 9.163 -4.908 1.00 41.97 O ATOM 442 CB PHE A 67 -25.147 7.687 -7.753 1.00 37.52 C ATOM 443 CG PHE A 67 -24.264 7.752 -8.980 1.00 37.25 C ATOM 444 CD1 PHE A 67 -23.120 8.546 -8.996 1.00 38.79 C ATOM 445 CD2 PHE A 67 -24.623 7.090 -10.150 1.00 39.23 C ATOM 446 CE1 PHE A 67 -22.330 8.639 -10.145 1.00 38.45 C ATOM 447 CE2 PHE A 67 -23.835 7.187 -11.300 1.00 40.66 C ATOM 448 CZ PHE A 67 -22.697 7.964 -11.291 1.00 37.49 C ATOM 449 H PHE A 67 -24.161 5.453 -6.982 1.00 0.00 H ATOM 450 N GLY A 68 -26.167 7.060 -4.708 1.00 40.38 N ATOM 451 CA GLY A 68 -27.087 7.321 -3.603 1.00 42.81 C ATOM 452 C GLY A 68 -26.369 7.691 -2.320 1.00 46.99 C ATOM 453 O GLY A 68 -26.767 8.641 -1.640 1.00 48.36 O ATOM 454 H GLY A 68 -26.129 6.094 -5.091 1.00 0.00 H ATOM 455 N THR A 69 -25.279 6.956 -1.997 1.00 41.89 N ATOM 456 CA THR A 69 -24.429 7.203 -0.825 1.00 42.05 C ATOM 457 C THR A 69 -23.711 8.546 -1.009 1.00 44.84 C ATOM 458 O THR A 69 -23.599 9.313 -0.051 1.00 46.12 O ATOM 459 CB THR A 69 -23.475 6.014 -0.593 1.00 48.21 C ATOM 460 OG1 THR A 69 -24.259 4.856 -0.325 1.00 47.04 O ATOM 461 CG2 THR A 69 -22.510 6.234 0.573 1.00 47.79 C ATOM 462 HG1 THR A 69 -24.849 4.672 -1.098 1.00 0.00 H ATOM 463 H THR A 69 -25.027 6.163 -2.621 1.00 0.00 H ATOM 464 N MET A 70 -23.268 8.839 -2.250 1.00 38.65 N ATOM 465 CA MET A 70 -22.606 10.095 -2.607 1.00 37.45 C ATOM 466 C MET A 70 -23.569 11.276 -2.447 1.00 43.86 C ATOM 467 O MET A 70 -23.160 12.317 -1.931 1.00 44.06 O ATOM 468 CB MET A 70 -22.036 10.034 -4.030 1.00 37.35 C ATOM 469 CG MET A 70 -20.804 9.159 -4.140 1.00 39.00 C ATOM 470 SD MET A 70 -20.296 8.856 -5.842 1.00 40.56 S ATOM 471 CE MET A 70 -19.571 10.426 -6.249 1.00 37.42 C ATOM 472 H MET A 70 -23.405 8.129 -2.998 1.00 0.00 H ATOM 473 N LYS A 71 -24.854 11.093 -2.845 1.00 42.03 N ATOM 474 CA LYS A 71 -25.918 12.098 -2.712 1.00 44.22 C ATOM 475 C LYS A 71 -26.157 12.413 -1.230 1.00 50.35 C ATOM 476 O LYS A 71 -26.224 13.587 -0.864 1.00 50.82 O ATOM 477 CB LYS A 71 -27.220 11.616 -3.398 1.00 48.08 C ATOM 478 CG LYS A 71 -28.435 12.544 -3.244 1.00 65.74 C ATOM 479 CD LYS A 71 -28.377 13.789 -4.130 1.00 75.82 C ATOM 480 CE LYS A 71 -29.536 14.715 -3.857 1.00 90.24 C ATOM 481 NZ LYS A 71 -29.449 15.959 -4.664 1.00 99.58 N ATOM 482 HZ1 LYS A 71 -28.568 16.460 -4.432 1.00 0.00 H ATOM 483 HZ2 LYS A 71 -29.455 15.716 -5.675 1.00 0.00 H ATOM 484 HZ3 LYS A 71 -30.263 16.569 -4.448 1.00 0.00 H ATOM 485 H LYS A 71 -25.103 10.179 -3.274 1.00 0.00 H ATOM 486 N ASP A 72 -26.246 11.359 -0.386 1.00 47.96 N ATOM 487 CA ASP A 72 -26.445 11.462 1.062 1.00 50.47 C ATOM 488 C ASP A 72 -25.293 12.206 1.738 1.00 54.13 C ATOM 489 O ASP A 72 -25.533 12.984 2.661 1.00 56.12 O ATOM 490 CB ASP A 72 -26.637 10.070 1.692 1.00 53.02 C ATOM 491 CG ASP A 72 -27.919 9.348 1.306 1.00 64.33 C ATOM 492 OD1 ASP A 72 -28.886 10.026 0.889 1.00 66.28 O ATOM 493 OD2 ASP A 72 -27.969 8.109 1.456 1.00 70.05 O ATOM 494 H ASP A 72 -26.167 10.406 -0.795 1.00 0.00 H ATOM 495 N LYS A 73 -24.048 11.982 1.260 1.00 47.80 N ATOM 496 CA LYS A 73 -22.851 12.645 1.779 1.00 47.51 C ATOM 497 C LYS A 73 -22.855 14.143 1.456 1.00 52.16 C ATOM 498 O LYS A 73 -22.447 14.935 2.307 1.00 53.57 O ATOM 499 CB LYS A 73 -21.571 11.963 1.283 1.00 47.23 C ATOM 500 CG LYS A 73 -21.255 10.657 2.007 1.00 57.43 C ATOM 501 CD LYS A 73 -19.978 9.998 1.493 1.00 62.62 C ATOM 502 CE LYS A 73 -18.744 10.428 2.255 1.00 70.75 C ATOM 503 NZ LYS A 73 -17.542 9.649 1.866 1.00 75.65 N ATOM 504 HZ1 LYS A 73 -17.706 8.641 2.060 1.00 0.00 H ATOM 505 HZ2 LYS A 73 -17.357 9.782 0.851 1.00 0.00 H ATOM 506 HZ3 LYS A 73 -16.723 9.980 2.415 1.00 0.00 H ATOM 507 H LYS A 73 -23.935 11.302 0.481 1.00 0.00 H ATOM 508 N ILE A 74 -23.354 14.535 0.255 1.00 47.65 N ATOM 509 CA ILE A 74 -23.476 15.947 -0.150 1.00 47.85 C ATOM 510 C ILE A 74 -24.505 16.645 0.759 1.00 55.73 C ATOM 511 O ILE A 74 -24.205 17.706 1.310 1.00 56.63 O ATOM 512 CB ILE A 74 -23.820 16.126 -1.665 1.00 49.24 C ATOM 513 CG1 ILE A 74 -22.706 15.570 -2.580 1.00 46.61 C ATOM 514 CG2 ILE A 74 -24.117 17.606 -2.004 1.00 50.88 C ATOM 515 CD1 ILE A 74 -23.151 15.281 -4.029 1.00 52.11 C ATOM 516 H ILE A 74 -23.666 13.801 -0.413 1.00 0.00 H ATOM 517 N VAL A 75 -25.702 16.031 0.922 1.00 54.30 N ATOM 518 CA VAL A 75 -26.811 16.535 1.750 1.00 57.57 C ATOM 519 C VAL A 75 -26.366 16.742 3.214 1.00 64.57 C ATOM 520 O VAL A 75 -26.687 17.774 3.811 1.00 66.63 O ATOM 521 CB VAL A 75 -28.088 15.649 1.614 1.00 62.65 C ATOM 522 CG1 VAL A 75 -29.189 16.077 2.587 1.00 66.40 C ATOM 523 CG2 VAL A 75 -28.619 15.662 0.182 1.00 61.10 C ATOM 524 H VAL A 75 -25.850 15.131 0.422 1.00 0.00 H ATOM 525 N ALA A 76 -25.590 15.787 3.760 1.00 60.97 N ATOM 526 CA ALA A 76 -25.065 15.841 5.129 1.00 63.43 C ATOM 527 C ALA A 76 -23.816 16.738 5.256 1.00 67.53 C ATOM 528 O ALA A 76 -23.319 16.925 6.372 1.00 69.60 O ATOM 529 CB ALA A 76 -24.760 14.434 5.626 1.00 63.95 C ATOM 530 H ALA A 76 -25.348 14.961 3.176 1.00 0.00 H ATOM 531 N ASN A 77 -23.330 17.305 4.119 1.00 61.44 N ATOM 532 CA ASN A 77 -22.149 18.178 4.000 1.00 60.52 C ATOM 533 C ASN A 77 -20.875 17.472 4.516 1.00 63.75 C ATOM 534 O ASN A 77 -20.067 18.053 5.247 1.00 64.72 O ATOM 535 CB ASN A 77 -22.392 19.562 4.649 1.00 64.54 C ATOM 536 CG ASN A 77 -21.465 20.659 4.174 1.00 89.40 C ATOM 537 OD1 ASN A 77 -21.261 20.873 2.972 1.00 82.55 O ATOM 538 ND2 ASN A 77 -20.914 21.410 5.114 1.00 84.26 N ATOM 539 HD22 ASN A 77 -21.102 21.209 6.117 1.00 0.00 H ATOM 540 HD21 ASN A 77 -20.293 22.201 4.850 1.00 0.00 H ATOM 541 H ASN A 77 -23.847 17.101 3.240 1.00 0.00 H ATOM 542 N GLU A 78 -20.719 16.199 4.110 1.00 58.52 N ATOM 543 CA GLU A 78 -19.608 15.320 4.480 1.00 57.74 C ATOM 544 C GLU A 78 -18.359 15.484 3.600 1.00 58.48 C ATOM 545 O GLU A 78 -17.286 15.014 3.986 1.00 58.39 O ATOM 546 CB GLU A 78 -20.070 13.854 4.518 1.00 58.61 C ATOM 547 CG GLU A 78 -20.874 13.501 5.761 1.00 72.35 C ATOM 548 CD GLU A 78 -21.280 12.046 5.906 1.00 94.21 C ATOM 549 OE1 GLU A 78 -20.508 11.158 5.477 1.00 84.87 O ATOM 550 OE2 GLU A 78 -22.354 11.791 6.496 1.00 93.57 O ATOM 551 H GLU A 78 -21.448 15.807 3.481 1.00 0.00 H ATOM 552 N TYR A 79 -18.488 16.141 2.430 1.00 52.29 N ATOM 553 CA TYR A 79 -17.349 16.371 1.539 1.00 49.61 C ATOM 554 C TYR A 79 -16.704 17.722 1.820 1.00 53.56 C ATOM 555 O TYR A 79 -17.378 18.754 1.761 1.00 53.95 O ATOM 556 CB TYR A 79 -17.744 16.272 0.055 1.00 48.11 C ATOM 557 CG TYR A 79 -18.197 14.905 -0.407 1.00 48.10 C ATOM 558 CD1 TYR A 79 -17.315 13.827 -0.431 1.00 48.89 C ATOM 559 CD2 TYR A 79 -19.479 14.708 -0.909 1.00 48.62 C ATOM 560 CE1 TYR A 79 -17.718 12.573 -0.884 1.00 48.24 C ATOM 561 CE2 TYR A 79 -19.888 13.463 -1.382 1.00 48.27 C ATOM 562 CZ TYR A 79 -19.009 12.393 -1.353 1.00 53.74 C ATOM 563 OH TYR A 79 -19.417 11.162 -1.805 1.00 51.82 O ATOM 564 HH TYR A 79 -18.673 10.515 -1.715 1.00 0.00 H ATOM 565 H TYR A 79 -19.425 16.495 2.152 1.00 0.00 H ATOM 566 N LYS A 80 -15.401 17.708 2.135 1.00 49.80 N ATOM 567 CA LYS A 80 -14.617 18.912 2.419 1.00 50.74 C ATOM 568 C LYS A 80 -14.079 19.540 1.131 1.00 51.58 C ATOM 569 O LYS A 80 -13.822 20.743 1.099 1.00 52.12 O ATOM 570 CB LYS A 80 -13.457 18.584 3.372 1.00 55.25 C ATOM 571 H LYS A 80 -14.918 16.788 2.180 1.00 0.00 H ATOM 572 N SER A 81 -13.896 18.723 0.076 1.00 45.04 N ATOM 573 CA SER A 81 -13.370 19.172 -1.213 1.00 42.96 C ATOM 574 C SER A 81 -13.895 18.333 -2.382 1.00 44.21 C ATOM 575 O SER A 81 -14.483 17.267 -2.164 1.00 43.02 O ATOM 576 CB SER A 81 -11.843 19.127 -1.198 1.00 46.46 C ATOM 577 OG SER A 81 -11.373 17.790 -1.123 1.00 51.72 O ATOM 578 HG SER A 81 -10.383 17.789 -1.115 1.00 0.00 H ATOM 579 H SER A 81 -14.142 17.718 0.184 1.00 0.00 H ATOM 580 N VAL A 82 -13.648 18.808 -3.624 1.00 39.57 N ATOM 581 CA VAL A 82 -13.999 18.110 -4.863 1.00 37.72 C ATOM 582 C VAL A 82 -13.149 16.824 -4.983 1.00 39.86 C ATOM 583 O VAL A 82 -13.639 15.817 -5.493 1.00 38.13 O ATOM 584 CB VAL A 82 -13.923 19.025 -6.118 1.00 41.80 C ATOM 585 CG1 VAL A 82 -12.497 19.434 -6.451 1.00 42.17 C ATOM 586 CG2 VAL A 82 -14.635 18.382 -7.305 1.00 40.19 C ATOM 587 H VAL A 82 -13.177 19.732 -3.705 1.00 0.00 H ATOM 588 N THR A 83 -11.895 16.857 -4.462 1.00 36.87 N ATOM 589 CA THR A 83 -10.965 15.718 -4.437 1.00 36.05 C ATOM 590 C THR A 83 -11.595 14.533 -3.690 1.00 39.36 C ATOM 591 O THR A 83 -11.526 13.405 -4.182 1.00 37.75 O ATOM 592 CB THR A 83 -9.595 16.166 -3.886 1.00 45.19 C ATOM 593 OG1 THR A 83 -9.036 17.111 -4.799 1.00 45.76 O ATOM 594 CG2 THR A 83 -8.609 15.005 -3.701 1.00 43.50 C ATOM 595 HG1 THR A 83 -8.925 16.685 -5.686 1.00 0.00 H ATOM 596 H THR A 83 -11.568 17.754 -4.050 1.00 0.00 H ATOM 597 N GLU A 84 -12.244 14.802 -2.536 1.00 36.86 N ATOM 598 CA GLU A 84 -12.936 13.791 -1.727 1.00 36.81 C ATOM 599 C GLU A 84 -14.114 13.178 -2.493 1.00 38.76 C ATOM 600 O GLU A 84 -14.311 11.964 -2.432 1.00 37.57 O ATOM 601 CB GLU A 84 -13.413 14.383 -0.395 1.00 40.34 C ATOM 602 CG GLU A 84 -12.303 14.571 0.627 1.00 51.92 C ATOM 603 CD GLU A 84 -12.708 15.177 1.959 1.00 69.57 C ATOM 604 OE1 GLU A 84 -13.926 15.290 2.230 1.00 59.18 O ATOM 605 OE2 GLU A 84 -11.798 15.528 2.744 1.00 66.05 O ATOM 606 H GLU A 84 -12.254 15.786 -2.200 1.00 0.00 H ATOM 607 N PHE A 85 -14.873 14.020 -3.233 1.00 34.78 N ATOM 608 CA PHE A 85 -16.004 13.600 -4.068 1.00 33.24 C ATOM 609 C PHE A 85 -15.501 12.723 -5.217 1.00 35.07 C ATOM 610 O PHE A 85 -16.075 11.660 -5.470 1.00 33.54 O ATOM 611 CB PHE A 85 -16.758 14.827 -4.606 1.00 35.09 C ATOM 612 CG PHE A 85 -17.917 14.533 -5.534 1.00 35.71 C ATOM 613 CD1 PHE A 85 -19.172 14.215 -5.028 1.00 39.45 C ATOM 614 CD2 PHE A 85 -17.763 14.613 -6.915 1.00 36.51 C ATOM 615 CE1 PHE A 85 -20.249 13.963 -5.887 1.00 40.38 C ATOM 616 CE2 PHE A 85 -18.839 14.346 -7.774 1.00 39.17 C ATOM 617 CZ PHE A 85 -20.074 14.025 -7.254 1.00 38.44 C ATOM 618 H PHE A 85 -14.639 15.033 -3.208 1.00 0.00 H ATOM 619 N LYS A 86 -14.412 13.163 -5.890 1.00 31.67 N ATOM 620 CA LYS A 86 -13.759 12.448 -6.995 1.00 30.32 C ATOM 621 C LYS A 86 -13.253 11.079 -6.538 1.00 34.23 C ATOM 622 O LYS A 86 -13.361 10.115 -7.295 1.00 32.62 O ATOM 623 CB LYS A 86 -12.597 13.278 -7.563 1.00 32.64 C ATOM 624 CG LYS A 86 -13.031 14.403 -8.509 1.00 41.88 C ATOM 625 CD LYS A 86 -11.899 15.398 -8.807 1.00 50.14 C ATOM 626 CE LYS A 86 -10.809 14.839 -9.702 1.00 58.71 C ATOM 627 NZ LYS A 86 -9.787 15.865 -10.044 1.00 66.22 N ATOM 628 HZ1 LYS A 86 -10.244 16.655 -10.543 1.00 0.00 H ATOM 629 HZ2 LYS A 86 -9.343 16.215 -9.171 1.00 0.00 H ATOM 630 HZ3 LYS A 86 -9.062 15.440 -10.656 1.00 0.00 H ATOM 631 H LYS A 86 -14.007 14.077 -5.603 1.00 0.00 H ATOM 632 N ALA A 87 -12.728 10.995 -5.291 1.00 32.30 N ATOM 633 CA ALA A 87 -12.220 9.757 -4.688 1.00 32.33 C ATOM 634 C ALA A 87 -13.339 8.727 -4.505 1.00 35.93 C ATOM 635 O ALA A 87 -13.116 7.546 -4.774 1.00 34.39 O ATOM 636 CB ALA A 87 -11.549 10.051 -3.356 1.00 34.92 C ATOM 637 H ALA A 87 -12.682 11.866 -4.724 1.00 0.00 H ATOM 638 N ASP A 88 -14.545 9.174 -4.088 1.00 33.24 N ATOM 639 CA ASP A 88 -15.705 8.288 -3.924 1.00 32.97 C ATOM 640 C ASP A 88 -16.199 7.802 -5.280 1.00 35.00 C ATOM 641 O ASP A 88 -16.514 6.620 -5.421 1.00 34.27 O ATOM 642 CB ASP A 88 -16.833 8.972 -3.134 1.00 36.17 C ATOM 643 CG ASP A 88 -16.685 8.906 -1.623 1.00 48.11 C ATOM 644 OD1 ASP A 88 -15.634 8.421 -1.143 1.00 49.51 O ATOM 645 OD2 ASP A 88 -17.625 9.322 -0.920 1.00 53.73 O ATOM 646 H ASP A 88 -14.656 10.186 -3.875 1.00 0.00 H ATOM 647 N PHE A 89 -16.219 8.703 -6.289 1.00 30.36 N ATOM 648 CA PHE A 89 -16.620 8.366 -7.655 1.00 28.59 C ATOM 649 C PHE A 89 -15.673 7.320 -8.253 1.00 29.93 C ATOM 650 O PHE A 89 -16.142 6.340 -8.841 1.00 29.15 O ATOM 651 CB PHE A 89 -16.689 9.621 -8.542 1.00 30.24 C ATOM 652 CG PHE A 89 -17.029 9.319 -9.981 1.00 31.05 C ATOM 653 CD1 PHE A 89 -18.272 8.798 -10.326 1.00 34.30 C ATOM 654 CD2 PHE A 89 -16.096 9.523 -10.988 1.00 32.40 C ATOM 655 CE1 PHE A 89 -18.575 8.490 -11.651 1.00 35.22 C ATOM 656 CE2 PHE A 89 -16.407 9.226 -12.316 1.00 34.95 C ATOM 657 CZ PHE A 89 -17.640 8.702 -12.635 1.00 33.50 C ATOM 658 H PHE A 89 -15.936 9.682 -6.084 1.00 0.00 H ATOM 659 N LYS A 90 -14.349 7.521 -8.080 1.00 25.41 N ATOM 660 CA LYS A 90 -13.311 6.600 -8.550 1.00 24.45 C ATOM 661 C LYS A 90 -13.473 5.236 -7.879 1.00 28.78 C ATOM 662 O LYS A 90 -13.399 4.219 -8.569 1.00 28.14 O ATOM 663 CB LYS A 90 -11.908 7.174 -8.283 1.00 26.89 C ATOM 664 CG LYS A 90 -10.776 6.345 -8.882 1.00 31.04 C ATOM 665 CD LYS A 90 -9.409 6.905 -8.533 1.00 38.07 C ATOM 666 CE LYS A 90 -8.292 6.074 -9.122 1.00 49.39 C ATOM 667 NZ LYS A 90 -8.119 4.779 -8.411 1.00 54.68 N ATOM 668 HZ1 LYS A 90 -7.895 4.961 -7.412 1.00 0.00 H ATOM 669 HZ2 LYS A 90 -8.999 4.229 -8.475 1.00 0.00 H ATOM 670 HZ3 LYS A 90 -7.342 4.245 -8.850 1.00 0.00 H ATOM 671 H LYS A 90 -14.047 8.383 -7.582 1.00 0.00 H ATOM 672 N LEU A 91 -13.721 5.222 -6.547 1.00 26.35 N ATOM 673 CA LEU A 91 -13.919 3.999 -5.757 1.00 26.48 C ATOM 674 C LEU A 91 -15.083 3.180 -6.309 1.00 29.55 C ATOM 675 O LEU A 91 -14.932 1.975 -6.491 1.00 28.31 O ATOM 676 CB LEU A 91 -14.134 4.334 -4.261 1.00 27.93 C ATOM 677 CG LEU A 91 -14.526 3.177 -3.305 1.00 32.71 C ATOM 678 CD1 LEU A 91 -13.400 2.155 -3.147 1.00 32.91 C ATOM 679 CD2 LEU A 91 -14.941 3.707 -1.942 1.00 34.94 C ATOM 680 H LEU A 91 -13.775 6.135 -6.052 1.00 0.00 H ATOM 681 N MET A 92 -16.220 3.843 -6.612 1.00 26.83 N ATOM 682 CA MET A 92 -17.419 3.220 -7.176 1.00 26.27 C ATOM 683 C MET A 92 -17.111 2.529 -8.518 1.00 28.97 C ATOM 684 O MET A 92 -17.481 1.366 -8.696 1.00 27.87 O ATOM 685 CB MET A 92 -18.528 4.270 -7.333 1.00 29.06 C ATOM 686 CG MET A 92 -19.839 3.707 -7.833 1.00 32.92 C ATOM 687 SD MET A 92 -21.001 5.013 -8.278 1.00 37.98 S ATOM 688 CE MET A 92 -20.369 5.473 -9.870 1.00 33.69 C ATOM 689 H MET A 92 -16.246 4.867 -6.432 1.00 0.00 H ATOM 690 N CYS A 93 -16.427 3.239 -9.444 1.00 25.31 N ATOM 691 CA CYS A 93 -16.039 2.707 -10.758 1.00 24.67 C ATOM 692 C CYS A 93 -15.036 1.568 -10.625 1.00 27.65 C ATOM 693 O CYS A 93 -15.193 0.541 -11.290 1.00 26.40 O ATOM 694 CB CYS A 93 -15.516 3.815 -11.667 1.00 25.17 C ATOM 695 SG CYS A 93 -16.733 5.104 -12.035 1.00 29.87 S ATOM 696 H CYS A 93 -16.160 4.217 -9.213 1.00 0.00 H ATOM 697 N ASP A 94 -14.019 1.737 -9.748 1.00 24.74 N ATOM 698 CA ASP A 94 -12.999 0.717 -9.488 1.00 24.23 C ATOM 699 C ASP A 94 -13.614 -0.565 -8.938 1.00 27.67 C ATOM 700 O ASP A 94 -13.208 -1.648 -9.359 1.00 26.41 O ATOM 701 CB ASP A 94 -11.904 1.243 -8.546 1.00 26.58 C ATOM 702 CG ASP A 94 -10.945 2.254 -9.161 1.00 34.81 C ATOM 703 OD1 ASP A 94 -11.000 2.463 -10.404 1.00 34.65 O ATOM 704 OD2 ASP A 94 -10.135 2.834 -8.406 1.00 37.75 O ATOM 705 H ASP A 94 -13.958 2.638 -9.232 1.00 0.00 H ATOM 706 N ASN A 95 -14.621 -0.447 -8.040 1.00 24.76 N ATOM 707 CA ASN A 95 -15.327 -1.599 -7.461 1.00 24.89 C ATOM 708 C ASN A 95 -16.008 -2.427 -8.546 1.00 27.59 C ATOM 709 O ASN A 95 -15.866 -3.650 -8.557 1.00 26.43 O ATOM 710 CB ASN A 95 -16.360 -1.152 -6.422 1.00 25.59 C ATOM 711 CG ASN A 95 -15.783 -0.659 -5.121 1.00 36.81 C ATOM 712 OD1 ASN A 95 -14.621 -0.911 -4.773 1.00 26.34 O ATOM 713 ND2 ASN A 95 -16.615 0.023 -4.347 1.00 30.61 N ATOM 714 HD22 ASN A 95 -17.584 0.217 -4.670 1.00 0.00 H ATOM 715 HD21 ASN A 95 -16.299 0.364 -3.417 1.00 0.00 H ATOM 716 H ASN A 95 -14.910 0.508 -7.745 1.00 0.00 H ATOM 717 N ALA A 96 -16.715 -1.751 -9.475 1.00 24.35 N ATOM 718 CA ALA A 96 -17.410 -2.397 -10.590 1.00 24.40 C ATOM 719 C ALA A 96 -16.432 -3.086 -11.538 1.00 27.07 C ATOM 720 O ALA A 96 -16.751 -4.141 -12.078 1.00 26.26 O ATOM 721 CB ALA A 96 -18.250 -1.384 -11.340 1.00 25.62 C ATOM 722 H ALA A 96 -16.769 -0.716 -9.395 1.00 0.00 H ATOM 723 N MET A 97 -15.234 -2.511 -11.711 1.00 23.55 N ATOM 724 CA MET A 97 -14.208 -3.083 -12.581 1.00 22.86 C ATOM 725 C MET A 97 -13.426 -4.214 -11.910 1.00 26.75 C ATOM 726 O MET A 97 -12.798 -5.015 -12.606 1.00 26.65 O ATOM 727 CB MET A 97 -13.276 -1.997 -13.134 1.00 25.16 C ATOM 728 CG MET A 97 -13.978 -1.038 -14.079 1.00 28.92 C ATOM 729 SD MET A 97 -12.845 0.113 -14.883 1.00 33.35 S ATOM 730 CE MET A 97 -12.589 1.291 -13.579 1.00 30.05 C ATOM 731 H MET A 97 -15.027 -1.625 -11.208 1.00 0.00 H ATOM 732 N THR A 98 -13.486 -4.294 -10.566 1.00 22.95 N ATOM 733 CA THR A 98 -12.837 -5.343 -9.771 1.00 23.01 C ATOM 734 C THR A 98 -13.746 -6.575 -9.689 1.00 26.51 C ATOM 735 O THR A 98 -13.271 -7.691 -9.893 1.00 25.68 O ATOM 736 CB THR A 98 -12.422 -4.799 -8.386 1.00 30.81 C ATOM 737 OG1 THR A 98 -11.454 -3.766 -8.571 1.00 29.67 O ATOM 738 CG2 THR A 98 -11.842 -5.875 -7.462 1.00 29.92 C ATOM 739 HG1 THR A 98 -11.849 -3.039 -9.114 1.00 0.00 H ATOM 740 H THR A 98 -14.027 -3.565 -10.059 1.00 0.00 H ATOM 741 N TYR A 99 -15.037 -6.373 -9.370 1.00 23.28 N ATOM 742 CA TYR A 99 -15.999 -7.468 -9.233 1.00 23.58 C ATOM 743 C TYR A 99 -16.424 -8.083 -10.573 1.00 27.45 C ATOM 744 O TYR A 99 -16.488 -9.310 -10.691 1.00 27.44 O ATOM 745 CB TYR A 99 -17.224 -7.023 -8.405 1.00 25.30 C ATOM 746 CG TYR A 99 -18.288 -8.089 -8.287 1.00 27.70 C ATOM 747 CD1 TYR A 99 -18.176 -9.111 -7.350 1.00 30.23 C ATOM 748 CD2 TYR A 99 -19.389 -8.097 -9.137 1.00 28.88 C ATOM 749 CE1 TYR A 99 -19.137 -10.115 -7.258 1.00 31.60 C ATOM 750 CE2 TYR A 99 -20.350 -9.103 -9.064 1.00 30.77 C ATOM 751 CZ TYR A 99 -20.225 -10.104 -8.116 1.00 37.77 C ATOM 752 OH TYR A 99 -21.177 -11.087 -8.031 1.00 38.68 O ATOM 753 HH TYR A 99 -20.936 -11.717 -7.306 1.00 0.00 H ATOM 754 H TYR A 99 -15.365 -5.399 -9.214 1.00 0.00 H ATOM 755 N ASN A 100 -16.770 -7.232 -11.550 1.00 23.49 N ATOM 756 CA ASN A 100 -17.266 -7.655 -12.858 1.00 23.40 C ATOM 757 C ASN A 100 -16.169 -7.865 -13.885 1.00 26.64 C ATOM 758 O ASN A 100 -15.245 -7.057 -13.966 1.00 25.50 O ATOM 759 CB ASN A 100 -18.292 -6.655 -13.386 1.00 23.86 C ATOM 760 CG ASN A 100 -19.419 -6.396 -12.423 1.00 38.16 C ATOM 761 OD1 ASN A 100 -20.314 -7.223 -12.251 1.00 31.07 O ATOM 762 ND2 ASN A 100 -19.378 -5.255 -11.750 1.00 26.84 N ATOM 763 HD22 ASN A 100 -18.607 -4.578 -11.920 1.00 0.00 H ATOM 764 HD21 ASN A 100 -20.117 -5.036 -11.052 1.00 0.00 H ATOM 765 H ASN A 100 -16.680 -6.212 -11.366 1.00 0.00 H ATOM 766 N ARG A 101 -16.305 -8.934 -14.704 1.00 23.59 N ATOM 767 CA ARG A 101 -15.386 -9.273 -15.786 1.00 23.18 C ATOM 768 C ARG A 101 -15.432 -8.207 -16.899 1.00 26.03 C ATOM 769 O ARG A 101 -16.465 -7.549 -17.040 1.00 24.69 O ATOM 770 CB ARG A 101 -15.690 -10.678 -16.322 1.00 24.42 C ATOM 771 CG ARG A 101 -15.350 -11.759 -15.294 1.00 31.44 C ATOM 772 CD ARG A 101 -15.125 -13.124 -15.905 1.00 32.70 C ATOM 773 NE ARG A 101 -14.308 -13.967 -15.030 1.00 31.27 N ATOM 774 CZ ARG A 101 -13.852 -15.173 -15.362 1.00 39.80 C ATOM 775 NH1 ARG A 101 -14.119 -15.686 -16.556 1.00 26.10 N ATOM 776 NH2 ARG A 101 -13.116 -15.868 -14.505 1.00 28.47 N ATOM 777 HE ARG A 101 -14.068 -13.600 -14.087 1.00 0.00 H ATOM 778 HH12 ARG A 101 -13.760 -16.629 -16.809 1.00 0.00 H ATOM 779 HH11 ARG A 101 -14.688 -15.146 -17.239 1.00 0.00 H ATOM 780 HH22 ARG A 101 -12.762 -16.810 -14.768 1.00 0.00 H ATOM 781 HH21 ARG A 101 -12.893 -15.471 -13.570 1.00 0.00 H ATOM 782 H ARG A 101 -17.123 -9.558 -14.551 1.00 0.00 H ATOM 783 N PRO A 102 -14.332 -8.002 -17.677 1.00 23.20 N ATOM 784 CA PRO A 102 -14.319 -6.921 -18.681 1.00 23.92 C ATOM 785 C PRO A 102 -15.404 -6.939 -19.762 1.00 29.70 C ATOM 786 O PRO A 102 -15.707 -5.876 -20.302 1.00 30.02 O ATOM 787 CB PRO A 102 -12.924 -7.036 -19.298 1.00 25.96 C ATOM 788 CG PRO A 102 -12.098 -7.641 -18.214 1.00 28.79 C ATOM 789 CD PRO A 102 -13.005 -8.653 -17.601 1.00 24.21 C ATOM 790 N ASP A 103 -15.996 -8.109 -20.068 1.00 27.35 N ATOM 791 CA ASP A 103 -17.034 -8.216 -21.099 1.00 28.86 C ATOM 792 C ASP A 103 -18.472 -7.967 -20.584 1.00 34.20 C ATOM 793 O ASP A 103 -19.426 -8.156 -21.343 1.00 36.15 O ATOM 794 CB ASP A 103 -16.931 -9.563 -21.841 1.00 31.59 C ATOM 795 CG ASP A 103 -17.066 -10.817 -20.993 1.00 35.80 C ATOM 796 OD1 ASP A 103 -16.988 -10.711 -19.741 1.00 33.97 O ATOM 797 OD2 ASP A 103 -17.181 -11.913 -21.578 1.00 40.62 O ATOM 798 H ASP A 103 -15.707 -8.967 -19.556 1.00 0.00 H ATOM 799 N THR A 104 -18.627 -7.510 -19.325 1.00 29.31 N ATOM 800 CA THR A 104 -19.948 -7.227 -18.733 1.00 29.49 C ATOM 801 C THR A 104 -20.371 -5.771 -18.941 1.00 33.83 C ATOM 802 O THR A 104 -19.508 -4.902 -19.095 1.00 32.34 O ATOM 803 CB THR A 104 -19.968 -7.568 -17.228 1.00 33.98 C ATOM 804 OG1 THR A 104 -19.050 -6.716 -16.542 1.00 29.65 O ATOM 805 CG2 THR A 104 -19.656 -9.041 -16.943 1.00 33.09 C ATOM 806 HG1 THR A 104 -18.139 -6.856 -16.903 1.00 0.00 H ATOM 807 H THR A 104 -17.778 -7.350 -18.746 1.00 0.00 H ATOM 808 N VAL A 105 -21.696 -5.501 -18.903 1.00 32.18 N ATOM 809 CA VAL A 105 -22.252 -4.142 -19.039 1.00 32.93 C ATOM 810 C VAL A 105 -21.798 -3.224 -17.892 1.00 34.52 C ATOM 811 O VAL A 105 -21.576 -2.032 -18.110 1.00 33.87 O ATOM 812 CB VAL A 105 -23.797 -4.089 -19.239 1.00 39.81 C ATOM 813 CG1 VAL A 105 -24.197 -4.651 -20.600 1.00 42.10 C ATOM 814 CG2 VAL A 105 -24.549 -4.795 -18.112 1.00 39.78 C ATOM 815 H VAL A 105 -22.357 -6.293 -18.771 1.00 0.00 H ATOM 816 N TYR A 106 -21.630 -3.800 -16.682 1.00 30.05 N ATOM 817 CA TYR A 106 -21.218 -3.087 -15.473 1.00 28.50 C ATOM 818 C TYR A 106 -19.784 -2.589 -15.552 1.00 30.14 C ATOM 819 O TYR A 106 -19.538 -1.432 -15.220 1.00 29.27 O ATOM 820 CB TYR A 106 -21.462 -3.943 -14.216 1.00 29.83 C ATOM 821 CG TYR A 106 -22.843 -4.561 -14.170 1.00 33.51 C ATOM 822 CD1 TYR A 106 -23.981 -3.766 -14.035 1.00 36.98 C ATOM 823 CD2 TYR A 106 -23.015 -5.938 -14.277 1.00 35.00 C ATOM 824 CE1 TYR A 106 -25.257 -4.325 -14.031 1.00 39.80 C ATOM 825 CE2 TYR A 106 -24.287 -6.512 -14.254 1.00 37.87 C ATOM 826 CZ TYR A 106 -25.405 -5.701 -14.125 1.00 46.74 C ATOM 827 OH TYR A 106 -26.659 -6.261 -14.100 1.00 51.16 O ATOM 828 HH TYR A 106 -27.337 -5.546 -14.004 1.00 0.00 H ATOM 829 H TYR A 106 -21.806 -4.822 -16.604 1.00 0.00 H ATOM 830 N TYR A 107 -18.845 -3.444 -16.019 1.00 26.16 N ATOM 831 CA TYR A 107 -17.432 -3.076 -16.185 1.00 24.44 C ATOM 832 C TYR A 107 -17.316 -1.995 -17.271 1.00 28.51 C ATOM 833 O TYR A 107 -16.643 -0.985 -17.054 1.00 27.10 O ATOM 834 CB TYR A 107 -16.593 -4.310 -16.570 1.00 24.94 C ATOM 835 CG TYR A 107 -15.107 -4.053 -16.745 1.00 25.41 C ATOM 836 CD1 TYR A 107 -14.615 -3.432 -17.892 1.00 27.99 C ATOM 837 CD2 TYR A 107 -14.184 -4.534 -15.823 1.00 25.00 C ATOM 838 CE1 TYR A 107 -13.247 -3.219 -18.071 1.00 27.78 C ATOM 839 CE2 TYR A 107 -12.816 -4.331 -15.991 1.00 25.69 C ATOM 840 CZ TYR A 107 -12.351 -3.672 -17.116 1.00 32.35 C ATOM 841 OH TYR A 107 -11.001 -3.486 -17.287 1.00 32.19 O ATOM 842 HH TYR A 107 -10.841 -3.002 -18.135 1.00 0.00 H ATOM 843 H TYR A 107 -19.138 -4.409 -16.273 1.00 0.00 H ATOM 844 N LYS A 108 -17.956 -2.228 -18.436 1.00 26.71 N ATOM 845 CA LYS A 108 -17.942 -1.325 -19.590 1.00 27.81 C ATOM 846 C LYS A 108 -18.454 0.068 -19.236 1.00 32.64 C ATOM 847 O LYS A 108 -17.790 1.047 -19.576 1.00 32.35 O ATOM 848 CB LYS A 108 -18.725 -1.918 -20.770 1.00 31.51 C ATOM 849 CG LYS A 108 -18.003 -3.059 -21.474 1.00 38.05 C ATOM 850 CD LYS A 108 -18.874 -3.672 -22.555 1.00 46.37 C ATOM 851 CE LYS A 108 -18.224 -4.869 -23.193 1.00 55.80 C ATOM 852 NZ LYS A 108 -19.118 -5.507 -24.193 1.00 67.29 N ATOM 853 HZ1 LYS A 108 -19.993 -5.818 -23.725 1.00 0.00 H ATOM 854 HZ2 LYS A 108 -19.347 -4.820 -24.939 1.00 0.00 H ATOM 855 HZ3 LYS A 108 -18.637 -6.328 -24.612 1.00 0.00 H ATOM 856 H LYS A 108 -18.498 -3.112 -18.521 1.00 0.00 H ATOM 857 N LEU A 109 -19.596 0.158 -18.517 1.00 30.54 N ATOM 858 CA LEU A 109 -20.159 1.450 -18.107 1.00 31.11 C ATOM 859 C LEU A 109 -19.269 2.158 -17.089 1.00 33.32 C ATOM 860 O LEU A 109 -19.048 3.358 -17.232 1.00 33.18 O ATOM 861 CB LEU A 109 -21.610 1.328 -17.606 1.00 32.38 C ATOM 862 CG LEU A 109 -22.387 2.658 -17.387 1.00 37.87 C ATOM 863 CD1 LEU A 109 -22.648 3.392 -18.695 1.00 39.95 C ATOM 864 CD2 LEU A 109 -23.700 2.415 -16.688 1.00 40.99 C ATOM 865 H LEU A 109 -20.091 -0.716 -18.246 1.00 0.00 H ATOM 866 N ALA A 110 -18.717 1.411 -16.105 1.00 28.92 N ATOM 867 CA ALA A 110 -17.815 1.954 -15.083 1.00 27.48 C ATOM 868 C ALA A 110 -16.581 2.600 -15.708 1.00 31.18 C ATOM 869 O ALA A 110 -16.220 3.704 -15.306 1.00 30.36 O ATOM 870 CB ALA A 110 -17.397 0.865 -14.107 1.00 27.38 C ATOM 871 H ALA A 110 -18.944 0.397 -16.071 1.00 0.00 H ATOM 872 N LYS A 111 -15.965 1.935 -16.711 1.00 28.76 N ATOM 873 CA LYS A 111 -14.785 2.436 -17.426 1.00 29.24 C ATOM 874 C LYS A 111 -15.122 3.711 -18.204 1.00 35.06 C ATOM 875 O LYS A 111 -14.366 4.681 -18.142 1.00 35.07 O ATOM 876 CB LYS A 111 -14.211 1.367 -18.368 1.00 32.19 C ATOM 877 CG LYS A 111 -12.821 1.704 -18.899 1.00 45.70 C ATOM 878 CD LYS A 111 -12.354 0.709 -19.951 1.00 56.68 C ATOM 879 CE LYS A 111 -11.003 1.081 -20.512 1.00 70.21 C ATOM 880 NZ LYS A 111 -10.752 0.398 -21.809 1.00 83.35 N ATOM 881 HZ1 LYS A 111 -10.781 -0.632 -21.668 1.00 0.00 H ATOM 882 HZ2 LYS A 111 -11.484 0.676 -22.493 1.00 0.00 H ATOM 883 HZ3 LYS A 111 -9.816 0.674 -22.169 1.00 0.00 H ATOM 884 H LYS A 111 -16.351 1.011 -16.993 1.00 0.00 H ATOM 885 N LYS A 112 -16.265 3.708 -18.913 1.00 33.17 N ATOM 886 CA LYS A 112 -16.757 4.834 -19.708 1.00 34.46 C ATOM 887 C LYS A 112 -17.054 6.057 -18.829 1.00 38.06 C ATOM 888 O LYS A 112 -16.583 7.151 -19.147 1.00 38.12 O ATOM 889 CB LYS A 112 -18.002 4.413 -20.512 1.00 38.39 C ATOM 890 CG LYS A 112 -18.506 5.452 -21.512 1.00 54.62 C ATOM 891 CD LYS A 112 -19.760 4.970 -22.227 1.00 66.86 C ATOM 892 CE LYS A 112 -20.336 6.011 -23.157 1.00 80.48 C ATOM 893 NZ LYS A 112 -21.092 7.064 -22.427 1.00 89.83 N ATOM 894 HZ1 LYS A 112 -21.878 6.626 -21.906 1.00 0.00 H ATOM 895 HZ2 LYS A 112 -20.457 7.545 -21.758 1.00 0.00 H ATOM 896 HZ3 LYS A 112 -21.467 7.755 -23.108 1.00 0.00 H ATOM 897 H LYS A 112 -16.841 2.842 -18.895 1.00 0.00 H ATOM 898 N ILE A 113 -17.802 5.868 -17.721 1.00 33.96 N ATOM 899 CA ILE A 113 -18.178 6.971 -16.832 1.00 33.74 C ATOM 900 C ILE A 113 -16.983 7.475 -15.991 1.00 35.53 C ATOM 901 O ILE A 113 -16.955 8.667 -15.690 1.00 34.95 O ATOM 902 CB ILE A 113 -19.443 6.703 -15.973 1.00 37.23 C ATOM 903 CG1 ILE A 113 -19.199 5.667 -14.855 1.00 36.56 C ATOM 904 CG2 ILE A 113 -20.632 6.321 -16.870 1.00 39.79 C ATOM 905 CD1 ILE A 113 -20.165 5.769 -13.680 1.00 45.21 C ATOM 906 H ILE A 113 -18.123 4.906 -17.490 1.00 0.00 H ATOM 907 N LEU A 114 -15.996 6.604 -15.649 1.00 30.77 N ATOM 908 CA LEU A 114 -14.805 7.022 -14.889 1.00 29.77 C ATOM 909 C LEU A 114 -13.999 8.048 -15.689 1.00 35.47 C ATOM 910 O LEU A 114 -13.636 9.093 -15.148 1.00 35.43 O ATOM 911 CB LEU A 114 -13.918 5.818 -14.481 1.00 28.72 C ATOM 912 CG LEU A 114 -12.602 6.135 -13.745 1.00 32.59 C ATOM 913 CD1 LEU A 114 -12.854 6.685 -12.354 1.00 32.39 C ATOM 914 CD2 LEU A 114 -11.713 4.917 -13.659 1.00 33.86 C ATOM 915 H LEU A 114 -16.085 5.608 -15.934 1.00 0.00 H ATOM 916 N HIS A 115 -13.761 7.755 -16.984 1.00 33.62 N ATOM 917 CA HIS A 115 -13.039 8.610 -17.926 1.00 35.19 C ATOM 918 C HIS A 115 -13.786 9.939 -18.106 1.00 39.56 C ATOM 919 O HIS A 115 -13.200 11.005 -17.907 1.00 39.15 O ATOM 920 CB HIS A 115 -12.856 7.875 -19.272 1.00 37.48 C ATOM 921 CG HIS A 115 -12.370 8.741 -20.395 1.00 43.02 C ATOM 922 ND1 HIS A 115 -11.021 8.907 -20.646 1.00 45.70 N ATOM 923 CD2 HIS A 115 -13.074 9.452 -21.308 1.00 46.61 C ATOM 924 CE1 HIS A 115 -10.947 9.716 -21.691 1.00 46.93 C ATOM 925 NE2 HIS A 115 -12.156 10.074 -22.121 1.00 47.87 N ATOM 926 H HIS A 115 -14.120 6.847 -17.342 1.00 0.00 H ATOM 927 N ALA A 116 -15.084 9.860 -18.449 1.00 36.75 N ATOM 928 CA ALA A 116 -15.953 11.014 -18.679 1.00 38.15 C ATOM 929 C ALA A 116 -16.092 11.897 -17.437 1.00 41.45 C ATOM 930 O ALA A 116 -16.106 13.122 -17.556 1.00 42.27 O ATOM 931 CB ALA A 116 -17.316 10.553 -19.158 1.00 39.82 C ATOM 932 H ALA A 116 -15.499 8.913 -18.558 1.00 0.00 H ATOM 933 N GLY A 117 -16.152 11.268 -16.265 1.00 36.34 N ATOM 934 CA GLY A 117 -16.256 11.946 -14.980 1.00 35.32 C ATOM 935 C GLY A 117 -14.998 12.694 -14.601 1.00 37.74 C ATOM 936 O GLY A 117 -15.074 13.826 -14.121 1.00 37.18 O ATOM 937 H GLY A 117 -16.123 10.228 -16.267 1.00 0.00 H ATOM 938 N PHE A 118 -13.826 12.075 -14.841 1.00 33.38 N ATOM 939 CA PHE A 118 -12.538 12.696 -14.537 1.00 33.44 C ATOM 940 C PHE A 118 -12.190 13.832 -15.505 1.00 39.43 C ATOM 941 O PHE A 118 -11.444 14.731 -15.121 1.00 40.14 O ATOM 942 CB PHE A 118 -11.417 11.653 -14.419 1.00 34.64 C ATOM 943 CG PHE A 118 -11.187 11.246 -12.981 1.00 35.58 C ATOM 944 CD1 PHE A 118 -12.106 10.444 -12.311 1.00 37.80 C ATOM 945 CD2 PHE A 118 -10.079 11.706 -12.281 1.00 38.52 C ATOM 946 CE1 PHE A 118 -11.912 10.099 -10.971 1.00 38.69 C ATOM 947 CE2 PHE A 118 -9.881 11.351 -10.942 1.00 41.31 C ATOM 948 CZ PHE A 118 -10.800 10.554 -10.296 1.00 38.56 C ATOM 949 H PHE A 118 -13.838 11.122 -15.257 1.00 0.00 H ATOM 950 N LYS A 119 -12.760 13.832 -16.725 1.00 36.49 N ATOM 951 CA LYS A 119 -12.546 14.928 -17.674 1.00 37.64 C ATOM 952 C LYS A 119 -13.417 16.125 -17.284 1.00 41.44 C ATOM 953 O LYS A 119 -12.976 17.268 -17.412 1.00 41.73 O ATOM 954 CB LYS A 119 -12.790 14.489 -19.125 1.00 41.47 C ATOM 955 CG LYS A 119 -11.635 13.663 -19.685 1.00 56.82 C ATOM 956 CD LYS A 119 -11.596 13.671 -21.202 1.00 69.93 C ATOM 957 CE LYS A 119 -10.253 13.213 -21.717 1.00 82.18 C ATOM 958 NZ LYS A 119 -10.172 13.280 -23.198 1.00 93.92 N ATOM 959 HZ1 LYS A 119 -10.905 12.669 -23.612 1.00 0.00 H ATOM 960 HZ2 LYS A 119 -10.322 14.261 -23.508 1.00 0.00 H ATOM 961 HZ3 LYS A 119 -9.233 12.957 -23.508 1.00 0.00 H ATOM 962 H LYS A 119 -13.367 13.034 -17.001 1.00 0.00 H ATOM 963 N MET A 120 -14.634 15.855 -16.767 1.00 37.09 N ATOM 964 CA MET A 120 -15.584 16.868 -16.295 1.00 37.55 C ATOM 965 C MET A 120 -15.047 17.562 -15.028 1.00 40.53 C ATOM 966 O MET A 120 -15.244 18.768 -14.851 1.00 41.19 O ATOM 967 CB MET A 120 -16.948 16.211 -16.020 1.00 39.78 C ATOM 968 CG MET A 120 -18.017 17.175 -15.533 1.00 44.49 C ATOM 969 SD MET A 120 -19.525 16.341 -14.997 1.00 48.97 S ATOM 970 CE MET A 120 -18.982 15.605 -13.482 1.00 43.99 C ATOM 971 H MET A 120 -14.919 14.857 -16.698 1.00 0.00 H ATOM 972 N MET A 121 -14.383 16.791 -14.152 1.00 35.47 N ATOM 973 CA MET A 121 -13.823 17.292 -12.894 1.00 34.90 C ATOM 974 C MET A 121 -12.292 17.330 -12.940 1.00 38.54 C ATOM 975 O MET A 121 -11.635 17.155 -11.911 1.00 38.30 O ATOM 976 CB MET A 121 -14.328 16.451 -11.707 1.00 36.28 C ATOM 977 CG MET A 121 -15.839 16.382 -11.620 1.00 39.84 C ATOM 978 SD MET A 121 -16.450 15.367 -10.260 1.00 43.14 S ATOM 979 CE MET A 121 -16.049 13.698 -10.865 1.00 38.74 C ATOM 980 H MET A 121 -14.259 15.784 -14.379 1.00 0.00 H ATOM 981 N SER A 122 -11.729 17.587 -14.136 1.00 35.82 N ATOM 982 CA SER A 122 -10.284 17.647 -14.365 1.00 36.53 C ATOM 983 C SER A 122 -9.639 18.834 -13.661 1.00 41.57 C ATOM 984 O SER A 122 -10.317 19.827 -13.383 1.00 41.40 O ATOM 985 CB SER A 122 -9.987 17.714 -15.863 1.00 40.04 C ATOM 986 OG SER A 122 -10.485 18.909 -16.445 1.00 46.09 O ATOM 987 HG SER A 122 -10.274 18.916 -17.412 1.00 0.00 H ATOM 988 H SER A 122 -12.359 17.753 -14.947 1.00 0.00 H ATOM 989 N LYS A 123 -8.320 18.735 -13.400 1.00 39.16 N ATOM 990 CA LYS A 123 -7.528 19.802 -12.780 1.00 40.17 C ATOM 991 C LYS A 123 -7.611 21.088 -13.615 1.00 44.81 C ATOM 992 O LYS A 123 -7.650 22.179 -13.048 1.00 44.46 O ATOM 993 CB LYS A 123 -6.064 19.363 -12.582 1.00 43.75 C ATOM 994 CG LYS A 123 -5.856 18.278 -11.509 1.00 59.46 C ATOM 995 CD LYS A 123 -6.159 18.733 -10.064 1.00 71.07 C ATOM 996 CE LYS A 123 -5.038 19.515 -9.416 1.00 85.54 C ATOM 997 NZ LYS A 123 -5.417 19.990 -8.060 1.00 95.83 N ATOM 998 HZ1 LYS A 123 -6.251 20.607 -8.131 1.00 0.00 H ATOM 999 HZ2 LYS A 123 -5.639 19.172 -7.457 1.00 0.00 H ATOM 1000 HZ3 LYS A 123 -4.625 20.522 -7.646 1.00 0.00 H ATOM 1001 H LYS A 123 -7.836 17.850 -13.653 1.00 0.00 H ATOM 1002 N GLU A 124 -7.709 20.945 -14.958 1.00 41.69 N ATOM 1003 CA GLU A 124 -7.864 22.034 -15.930 1.00 42.95 C ATOM 1004 C GLU A 124 -9.194 22.762 -15.705 1.00 46.05 C ATOM 1005 O GLU A 124 -9.209 23.990 -15.614 1.00 46.00 O ATOM 1006 CB GLU A 124 -7.783 21.476 -17.367 1.00 44.90 C ATOM 1007 CG GLU A 124 -8.011 22.496 -18.466 1.00 58.06 C ATOM 1008 CD GLU A 124 -7.696 21.996 -19.863 1.00 85.12 C ATOM 1009 OE1 GLU A 124 -8.465 21.156 -20.382 1.00 83.37 O ATOM 1010 OE2 GLU A 124 -6.684 22.452 -20.443 1.00 82.70 O ATOM 1011 H GLU A 124 -7.671 19.976 -15.335 1.00 0.00 H ATOM 1012 N ARG A 125 -10.304 21.999 -15.649 1.00 41.62 N ATOM 1013 CA ARG A 125 -11.652 22.541 -15.454 1.00 41.45 C ATOM 1014 C ARG A 125 -11.833 23.183 -14.080 1.00 44.32 C ATOM 1015 O ARG A 125 -12.485 24.224 -13.977 1.00 44.80 O ATOM 1016 CB ARG A 125 -12.723 21.476 -15.722 1.00 41.30 C ATOM 1017 CG ARG A 125 -12.908 21.187 -17.204 1.00 52.84 C ATOM 1018 CD ARG A 125 -14.249 20.542 -17.493 1.00 63.47 C ATOM 1019 NE ARG A 125 -15.295 21.537 -17.758 1.00 76.73 N ATOM 1020 CZ ARG A 125 -16.492 21.560 -17.176 1.00 90.34 C ATOM 1021 NH1 ARG A 125 -16.829 20.626 -16.292 1.00 73.63 N ATOM 1022 NH2 ARG A 125 -17.365 22.510 -17.481 1.00 78.74 N ATOM 1023 HE ARG A 125 -15.085 22.281 -18.454 1.00 0.00 H ATOM 1024 HH12 ARG A 125 -17.766 20.650 -15.841 1.00 0.00 H ATOM 1025 HH11 ARG A 125 -16.156 19.871 -16.051 1.00 0.00 H ATOM 1026 HH22 ARG A 125 -18.299 22.524 -17.024 1.00 0.00 H ATOM 1027 HH21 ARG A 125 -17.116 23.241 -18.177 1.00 0.00 H ATOM 1028 H ARG A 125 -10.198 20.969 -15.750 1.00 0.00 H ATOM 1029 N LEU A 126 -11.229 22.585 -13.037 1.00 39.66 N ATOM 1030 CA LEU A 126 -11.296 23.119 -11.674 1.00 39.92 C ATOM 1031 C LEU A 126 -10.467 24.394 -11.521 1.00 45.18 C ATOM 1032 O LEU A 126 -10.866 25.282 -10.768 1.00 44.50 O ATOM 1033 CB LEU A 126 -10.901 22.069 -10.630 1.00 39.11 C ATOM 1034 CG LEU A 126 -11.835 20.861 -10.505 1.00 42.24 C ATOM 1035 CD1 LEU A 126 -11.131 19.718 -9.830 1.00 41.99 C ATOM 1036 CD2 LEU A 126 -13.144 21.206 -9.777 1.00 44.27 C ATOM 1037 H LEU A 126 -10.694 21.709 -13.205 1.00 0.00 H ATOM 1038 N LEU A 127 -9.336 24.502 -12.260 1.00 42.81 N ATOM 1039 CA LEU A 127 -8.489 25.702 -12.259 1.00 44.74 C ATOM 1040 C LEU A 127 -9.242 26.859 -12.928 1.00 48.97 C ATOM 1041 O LEU A 127 -9.171 27.990 -12.441 1.00 49.40 O ATOM 1042 CB LEU A 127 -7.138 25.442 -12.958 1.00 45.99 C ATOM 1043 CG LEU A 127 -6.120 26.596 -12.969 1.00 53.82 C ATOM 1044 CD1 LEU A 127 -5.416 26.737 -11.624 1.00 55.29 C ATOM 1045 CD2 LEU A 127 -5.094 26.401 -14.063 1.00 57.85 C ATOM 1046 H LEU A 127 -9.055 23.697 -12.856 1.00 0.00 H ATOM 1047 N ALA A 128 -9.992 26.563 -14.015 1.00 44.86 N ATOM 1048 CA ALA A 128 -10.817 27.540 -14.735 1.00 45.69 C ATOM 1049 C ALA A 128 -11.955 28.037 -13.833 1.00 49.60 C ATOM 1050 O ALA A 128 -12.310 29.215 -13.887 1.00 50.54 O ATOM 1051 CB ALA A 128 -11.384 26.918 -16.001 1.00 46.04 C ATOM 1052 H ALA A 128 -9.983 25.582 -14.361 1.00 0.00 H ATOM 1053 N LEU A 129 -12.496 27.142 -12.982 1.00 44.74 N ATOM 1054 CA LEU A 129 -13.549 27.462 -12.022 1.00 44.58 C ATOM 1055 C LEU A 129 -12.976 28.304 -10.866 1.00 49.14 C ATOM 1056 O LEU A 129 -13.648 29.226 -10.397 1.00 49.13 O ATOM 1057 CB LEU A 129 -14.219 26.168 -11.519 1.00 43.18 C ATOM 1058 CG LEU A 129 -15.377 26.290 -10.515 1.00 48.23 C ATOM 1059 CD1 LEU A 129 -16.542 27.110 -11.068 1.00 49.69 C ATOM 1060 CD2 LEU A 129 -15.869 24.919 -10.079 1.00 49.13 C ATOM 1061 H LEU A 129 -12.142 26.165 -13.011 1.00 0.00 H ATOM 1062 N LYS A 130 -11.734 27.996 -10.422 1.00 46.00 N ATOM 1063 CA LYS A 130 -11.021 28.730 -9.367 1.00 47.37 C ATOM 1064 C LYS A 130 -10.753 30.174 -9.802 1.00 53.07 C ATOM 1065 O LYS A 130 -10.906 31.095 -8.995 1.00 53.80 O ATOM 1066 CB LYS A 130 -9.691 28.044 -9.028 1.00 50.09 C ATOM 1067 CG LYS A 130 -9.799 26.914 -8.024 1.00 65.01 C ATOM 1068 CD LYS A 130 -8.415 26.460 -7.600 1.00 77.69 C ATOM 1069 CE LYS A 130 -8.293 24.960 -7.531 1.00 88.49 C ATOM 1070 NZ LYS A 130 -6.867 24.545 -7.440 1.00 99.60 N ATOM 1071 HZ1 LYS A 130 -6.354 24.884 -8.279 1.00 0.00 H ATOM 1072 HZ2 LYS A 130 -6.442 24.955 -6.584 1.00 0.00 H ATOM 1073 HZ3 LYS A 130 -6.811 23.508 -7.394 1.00 0.00 H ATOM 1074 H LYS A 130 -11.252 27.184 -10.858 1.00 0.00 H ATOM 1075 N ARG A 131 -10.364 30.363 -11.085 1.00 49.92 N ATOM 1076 CA ARG A 131 -10.090 31.673 -11.693 1.00 51.53 C ATOM 1077 C ARG A 131 -11.349 32.538 -11.752 1.00 55.27 C ATOM 1078 O ARG A 131 -11.262 33.752 -11.571 1.00 56.28 O ATOM 1079 CB ARG A 131 -9.495 31.509 -13.102 1.00 52.62 C ATOM 1080 CG ARG A 131 -8.023 31.129 -13.108 1.00 65.13 C ATOM 1081 CD ARG A 131 -7.529 30.848 -14.512 1.00 77.58 C ATOM 1082 NE ARG A 131 -6.159 30.334 -14.514 1.00 89.90 N ATOM 1083 CZ ARG A 131 -5.499 29.956 -15.604 1.00106.35 C ATOM 1084 NH1 ARG A 131 -6.076 30.031 -16.798 1.00 95.13 N ATOM 1085 NH2 ARG A 131 -4.257 29.501 -15.511 1.00 94.56 N ATOM 1086 HE ARG A 131 -5.668 30.259 -13.600 1.00 0.00 H ATOM 1087 HH12 ARG A 131 -5.554 29.734 -17.647 1.00 0.00 H ATOM 1088 HH11 ARG A 131 -7.049 30.387 -16.884 1.00 0.00 H ATOM 1089 HH22 ARG A 131 -3.746 29.207 -16.367 1.00 0.00 H ATOM 1090 HH21 ARG A 131 -3.794 29.438 -14.582 1.00 0.00 H ATOM 1091 H ARG A 131 -10.251 29.520 -11.684 1.00 0.00 H ATOM 1092 N SER A 132 -12.519 31.911 -11.983 1.00 50.60 N ATOM 1093 CA SER A 132 -13.810 32.601 -12.042 1.00 51.16 C ATOM 1094 C SER A 132 -14.370 32.935 -10.643 1.00 55.79 C ATOM 1095 O SER A 132 -15.361 33.658 -10.540 1.00 56.06 O ATOM 1096 CB SER A 132 -14.812 31.798 -12.869 1.00 53.71 C ATOM 1097 OG SER A 132 -15.107 30.547 -12.270 1.00 61.53 O ATOM 1098 HG SER A 132 -14.275 30.017 -12.189 1.00 0.00 H ATOM 1099 H SER A 132 -12.505 30.881 -12.127 1.00 0.00 H ATOM 1100 N MET A 133 -13.724 32.424 -9.573 1.00 52.70 N ATOM 1101 CA MET A 133 -14.112 32.672 -8.178 1.00 53.86 C ATOM 1102 C MET A 133 -13.410 33.896 -7.576 1.00 60.07 C ATOM 1103 O MET A 133 -13.751 34.311 -6.466 1.00 61.09 O ATOM 1104 CB MET A 133 -13.895 31.423 -7.308 1.00 55.32 C ATOM 1105 CG MET A 133 -14.933 30.366 -7.524 1.00 57.85 C ATOM 1106 SD MET A 133 -14.486 28.824 -6.723 1.00 61.33 S ATOM 1107 CE MET A 133 -15.820 27.853 -7.241 1.00 56.74 C ATOM 1108 H MET A 133 -12.899 31.816 -9.748 1.00 0.00 H ATOM 1109 N SER A 134 -12.448 34.483 -8.314 1.00 57.26 N ATOM 1110 CA SER A 134 -11.698 35.668 -7.891 1.00 83.76 C ATOM 1111 C SER A 134 -12.290 36.944 -8.488 1.00100.58 C ATOM 1112 O SER A 134 -13.486 36.998 -8.770 1.00 54.76 O ATOM 1113 CB SER A 134 -10.228 35.536 -8.273 1.00 87.64 C ATOM 1114 OG SER A 134 -10.071 35.289 -9.660 1.00 95.62 O ATOM 1115 HG SER A 134 -10.534 34.447 -9.899 1.00 0.00 H ATOM 1116 H SER A 134 -12.224 34.069 -9.241 1.00 0.00 H TER 1117 SER A 134 HETATM 1118 O HOH 1 -24.586 0.104 -7.768 1.00 39.95 O HETATM 1119 O HOH 2 -28.285 -4.245 -4.513 1.00 66.37 O HETATM 1120 O HOH 3 -19.898 -2.690 -8.405 1.00 30.12 O HETATM 1121 O HOH 4 -22.478 -2.844 -1.606 1.00 53.09 O HETATM 1122 O HOH 5 -19.673 -0.519 -4.921 1.00 27.43 O HETATM 1123 O HOH 6 -10.920 -8.060 -2.151 1.00 42.68 O HETATM 1124 O HOH 7 -10.543 -1.616 -9.950 1.00 50.73 O HETATM 1125 O HOH 8 -22.519 1.279 -1.821 1.00 42.89 O HETATM 1126 O HOH 9 -18.672 -12.411 -18.459 1.00 44.33 O HETATM 1127 O HOH 10 -11.468 -10.564 -1.074 1.00 35.81 O HETATM 1128 O HOH 11 -16.121 0.840 -21.709 1.00 37.24 O HETATM 1129 O HOH 12 -13.532 10.379 -0.367 1.00 46.52 O HETATM 1130 O HOH 13 -20.932 -9.668 -13.263 1.00 45.09 O HETATM 1131 O HOH 14 -17.567 -6.106 2.762 1.00 52.03 O HETATM 1132 O HOH 15 -17.326 -14.541 -20.886 1.00 41.42 O HETATM 1133 O HOH 16 -10.746 6.207 -4.829 1.00 38.86 O HETATM 1134 O HOH 17 -26.579 22.575 -8.410 1.00 54.10 O HETATM 1135 O HOH 18 -14.183 -4.011 -21.579 1.00 37.25 O HETATM 1136 O HOH 19 -9.046 16.711 -0.199 1.00 49.48 O HETATM 1137 O HOH 20 -29.023 13.031 -13.197 1.00 57.99 O HETATM 1138 O HOH 21 -9.543 12.353 -5.735 1.00 34.80 O HETATM 1139 O HOH 22 -7.772 25.936 -16.879 1.00 48.34 O HETATM 1140 O HOH 23 -16.965 2.510 1.330 1.00 55.00 O HETATM 1141 O HOH 24 -12.003 -1.092 -5.537 1.00 52.19 O HETATM 1142 O HOH 25 -13.065 7.504 -0.961 1.00 49.37 O HETATM 1143 O HOH 26 -7.399 19.378 -22.168 1.00 62.14 O HETATM 1144 O HOH 27 -23.665 13.774 -18.696 1.00 55.32 O HETATM 1145 O HOH 28 -10.511 3.497 -5.777 1.00 42.06 O HETATM 1146 O HOH 29 -16.073 8.062 -21.678 1.00 41.37 O HETATM 1147 O HOH 30 -10.836 18.457 -19.124 1.00 59.87 O HETATM 1148 O HOH 31 -19.733 -0.018 -7.963 1.00 33.80 O HETATM 1149 O HOH 32 -28.413 -13.789 -7.416 1.00 70.87 O HETATM 1150 O HOH 33 -17.163 -11.786 -11.679 1.00 52.90 O HETATM 1151 O HOH 34 -12.019 30.839 -16.088 1.00 48.77 O HETATM 1152 O HOH 35 -28.421 13.369 -8.761 1.00 58.32 O HETATM 1153 O HOH 36 -27.668 6.470 -11.565 1.00 44.65 O HETATM 1154 O HOH 37 -13.551 -1.749 -2.344 1.00 30.73 O HETATM 1155 O HOH 38 -22.263 -1.086 -20.652 1.00 41.06 O HETATM 1156 O HOH 39 -7.936 14.588 -11.709 1.00 43.71 O HETATM 1157 O HOH 40 -26.821 21.114 -13.320 1.00 53.67 O HETATM 1158 O HOH 41 -19.803 20.490 -15.504 1.00 52.68 O HETATM 1159 O HOH 42 -8.662 -0.606 -23.404 1.00 61.46 O HETATM 1160 O HOH 43 -16.720 14.449 -19.961 1.00 51.95 O HETATM 1161 O HOH 44 -18.803 -11.966 2.583 1.00 47.81 O HETATM 1162 O HOH 45 -19.263 -8.319 -24.248 1.00 47.12 O HETATM 1163 O HOH 46 -22.890 -6.531 -0.737 1.00 43.06 O HETATM 1164 O HOH 47 -14.367 -11.712 -19.416 1.00 27.19 O HETATM 1165 O HOH 48 -15.416 -11.340 -9.040 1.00 47.76 O HETATM 1166 O HOH 49 -13.927 -8.344 5.993 1.00 45.63 O HETATM 1167 O HOH 50 -8.903 17.248 -7.727 1.00 48.83 O HETATM 1168 O HOH 51 -27.643 20.663 -0.554 1.00 59.61 O HETATM 1169 O HOH 52 -23.235 -14.702 -2.200 1.00 51.29 O HETATM 1170 O HOH 53 -10.421 -3.640 -20.086 1.00 45.37 O HETATM 1171 O HOH 54 -22.326 -0.868 -3.570 1.00 37.57 O HETATM 1172 O HOH 55 -19.704 -4.318 -26.748 1.00 65.15 O HETATM 1173 O HOH 56 -14.861 24.876 -15.522 1.00 69.78 O HETATM 1174 O HOH 57 -6.105 3.650 -10.183 1.00 57.64 O HETATM 1175 O HOH 58 -18.374 -10.881 -14.033 1.00 29.55 O HETATM 1176 O HOH 59 -22.119 1.182 -7.476 1.00 34.80 O HETATM 1177 O HOH 60 -28.389 -5.695 -11.139 1.00 49.57 O HETATM 1178 O HOH 61 -26.991 2.724 -17.541 1.00 46.75 O HETATM 1179 O HOH 62 -28.020 -9.396 0.019 1.00 58.26 O HETATM 1180 O HOH 63 -11.330 -14.939 -12.302 1.00 44.78 O HETATM 1181 O HOH 64 -30.746 24.530 -5.279 1.00 58.54 O HETATM 1182 O HOH 65 -8.479 14.222 -15.507 1.00 57.83 O HETATM 1183 O HOH 66 -21.494 -11.767 -10.972 1.00 46.90 O HETATM 1184 O HOH 67 -12.243 -4.297 -1.845 1.00 46.67 O HETATM 1185 O HOH 68 -6.583 18.255 -15.976 1.00 43.70 O HETATM 1186 O HOH 69 -10.609 35.843 -13.782 1.00 56.92 O HETATM 1187 O HOH 70 -24.236 10.543 4.345 1.00 52.09 O HETATM 1188 O HOH 71 -25.414 -7.996 1.168 1.00 52.63 O HETATM 1189 O HOH 72 -16.204 -7.223 4.985 1.00 55.62 O HETATM 1190 O HOH 73 -27.576 15.652 -7.457 1.00 50.00 O HETATM 1191 O HOH 74 -6.917 15.997 -14.132 1.00 36.36 O HETATM 1192 O HOH 75 -17.619 19.079 -18.963 1.00 57.72 O HETATM 1193 O HOH 76 -28.324 19.478 -17.203 1.00 73.83 O HETATM 1194 O HOH 77 -12.400 3.932 2.424 1.00 69.14 O HETATM 1195 O HOH 78 -23.159 -8.412 -18.344 1.00 48.40 O HETATM 1196 O HOH 79 -8.168 14.372 -7.513 1.00 57.64 O HETATM 1197 O HOH 80 -32.173 1.837 -9.717 1.00 61.07 O HETATM 1198 O HOH 81 -25.957 19.891 6.419 1.00 61.49 O HETATM 1199 O HOH 82 -18.799 -14.052 -8.404 1.00 61.66 O HETATM 1200 O HOH 83 -14.347 24.912 -18.414 1.00 55.32 O HETATM 1201 O HOH 84 -12.762 4.879 -21.338 1.00 59.83 O HETATM 1202 O HOH 85 -6.402 18.543 -18.886 1.00 59.26 O HETATM 1203 O HOH 86 -21.023 1.079 -21.775 1.00 49.24 O HETATM 1204 O HOH 87 -20.335 -11.444 -23.518 1.00 65.18 O HETATM 1205 O HOH 88 -17.819 -15.195 -16.899 1.00 52.91 O HETATM 1206 O HOH 89 -16.960 -14.983 -12.479 1.00 65.41 O HETATM 1207 O HOH 90 -15.916 17.301 -20.188 1.00 56.38 O HETATM 1208 O HOH 91 -14.228 -1.386 -22.327 1.00 43.61 O HETATM 1209 O HOH 92 -9.355 10.081 -7.224 1.00 40.19 O HETATM 1210 O HOH 93 -14.103 6.644 -22.948 1.00 59.56 O HETATM 1211 O HOH 94 -6.805 -0.523 -21.107 1.00 44.02 O HETATM 1212 O HOH 95 -20.926 -2.022 -25.576 1.00 52.34 O HETATM 1213 O HOH 96 -14.317 2.759 -22.542 1.00 74.03 O HETATM 1214 O HOH 97 -10.423 0.937 -4.595 1.00 50.74 O HETATM 1215 O HOH 98 -17.789 -17.844 -15.509 1.00 47.10 O HETATM 1216 O HOH 99 -22.196 -2.587 -22.934 1.00 46.83 O HETATM 1217 O HOH 100 -21.314 -11.793 -19.652 1.00 61.58 O HETATM 1218 O HOH 101 -8.647 7.898 -5.280 1.00 43.82 O HETATM 1219 O HOH 102 -7.898 34.762 -15.082 1.00 61.50 O HETATM 1220 O HOH 103 -18.946 -12.878 -15.785 1.00 52.24 O HETATM 1221 O HOH 104 -28.555 -5.238 -18.470 1.00 65.55 O HETATM 1222 O HOH 105 -19.514 0.125 -24.194 1.00 64.60 O HETATM 1223 O HOH 106 -22.701 -10.353 -15.466 1.00 54.94 O HETATM 1224 O HOH 107 -21.697 -12.764 -16.793 1.00 68.68 O HETATM 1225 C5 UNN A 108 -24.858 -5.380 -10.641 1.00 0.03 C HETATM 1226 C8 UNN A 108 -25.575 -4.115 -10.618 1.00 -0.03 C HETATM 1227 C9 UNN A 108 -24.896 -2.980 -10.445 1.00 0.07 C HETATM 1228 N6 UNN A 108 -23.539 -2.959 -10.240 1.00 -0.21 N HETATM 1229 C13 UNN A 108 -22.851 -1.682 -10.045 1.00 0.06 C HETATM 1230 H3 UNN A 108 -23.583 -0.862 -10.084 1.00 0.06 H HETATM 1231 H4 UNN A 108 -22.103 -1.544 -10.839 1.00 0.06 H HETATM 1232 H5 UNN A 108 -22.350 -1.681 -9.066 1.00 0.06 H HETATM 1233 C2 UNN A 108 -22.759 -4.118 -10.221 1.00 0.24 C HETATM 1234 C1 UNN A 108 -23.472 -5.391 -10.429 1.00 0.08 C HETATM 1235 C10 UNN A 108 -22.878 -6.653 -10.433 1.00 0.02 C HETATM 1236 N7 UNN A 108 -23.539 -7.796 -10.652 1.00 -0.26 N HETATM 1237 C3 UNN A 108 -24.869 -7.671 -10.845 1.00 0.18 C HETATM 1238 N4 UNN A 108 -25.568 -6.509 -10.845 1.00 -0.27 N HETATM 1239 N11 UNN A 108 -25.567 -8.811 -11.044 1.00 -0.28 N HETATM 1240 C15 UNN A 108 -27.004 -8.794 -11.283 1.00 0.02 C HETATM 1241 H6 UNN A 108 -27.366 -9.824 -11.418 1.00 0.05 H HETATM 1242 H7 UNN A 108 -27.218 -8.209 -12.190 1.00 0.05 H HETATM 1243 H8 UNN A 108 -27.514 -8.336 -10.422 1.00 0.05 H HETATM 1244 C14 UNN A 108 -24.913 -10.111 -11.060 1.00 0.02 C HETATM 1245 H10 UNN A 108 -23.838 -9.983 -10.867 1.00 0.05 H HETATM 1246 H11 UNN A 108 -25.056 -10.581 -12.044 1.00 0.05 H HETATM 1247 H12 UNN A 108 -25.351 -10.752 -10.280 1.00 0.05 H HETATM 1248 H2 UNN A 108 -21.812 -6.712 -10.247 1.00 0.09 H HETATM 1249 O12 UNN A 108 -21.556 -4.048 -10.040 1.00 -0.39 O HETATM 1250 H9 UNN A 108 -25.438 -2.036 -10.467 1.00 0.13 H HETATM 1251 H1 UNN A 108 -26.657 -4.095 -10.741 1.00 0.03 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1225 1226 1234 1238 CONECT 1226 1225 1227 1251 CONECT 1227 1226 1228 1250 CONECT 1228 1227 1229 1233 CONECT 1229 1228 1230 1231 1232 CONECT 1230 1229 CONECT 1231 1229 CONECT 1232 1229 CONECT 1233 1228 1234 1249 CONECT 1234 1225 1233 1235 CONECT 1235 1234 1236 1248 CONECT 1236 1235 1237 CONECT 1237 1236 1238 1239 CONECT 1238 1225 1237 CONECT 1239 1237 1240 1244 CONECT 1240 1239 1241 1242 1243 CONECT 1241 1240 CONECT 1242 1240 CONECT 1243 1240 CONECT 1244 1239 1245 1246 1247 CONECT 1245 1244 CONECT 1246 1244 CONECT 1247 1244 CONECT 1248 1235 CONECT 1249 1233 CONECT 1250 1227 CONECT 1251 1226 MASTER 0 0 0 0 0 0 0 0 1250 1 31 9 END
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Related entries of code: 5f2p
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Protein Sequence Similarity
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4uiv
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4z6i
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PDBbind
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5f1l
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PDBbind
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PDBbind
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5i7x
RCSB PDB
PDBbind
101aa, >5I7X_1|Chain... at 100%
5i7y
RCSB PDB
PDBbind
101aa, >5I7Y_1|Chain... at 100%
5igm
RCSB PDB
PDBbind
123aa, >5IGM_1|Chains... at 100%
5ji8
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PDBbind
111aa, >5JI8_1|Chain... at 92%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5f2p
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human BRD9
Ligand Name
5TY
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=37.5uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 4462-4475
Ligand Properties
Formula
C
1
0
H
1
2
N
4
O
Molecular Weight
204.228
Exact Mass
204.101
No. of atoms
27
No. of bonds
28
Polar Surface Area
51.02
LOGP Value
0.29 (
Computed with XLOGP3
)
0.39 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
CN(c1ncc2c(n1)ccn(c2=O)C)C
InChI String
InChI=1S/C10H12N4O/c1-13(2)10-11-6-7-8(12-10)4-5-14(3)9(7)15/h4-6H,1-3H3
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):
Q9H8M2
Entrez Gene ID
NCBI Entrez Gene ID:
65980
ASD
Information of known allosteric effects of PDB entries
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