Browse entries in the PDBbind-CN Database
HEADER 6BQA_COMPLEX COMPND 6BQA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 102 SER THR PRO ILE GLN GLN LEU LEU GLU HIS PHE LEU ARG SEQRES 2 A 102 GLN LEU GLN ARG LYS ASP PRO HIS GLY PHE PHE ALA PHE SEQRES 3 A 102 PRO VAL THR ASP ALA ILE ALA PRO GLY TYR SER MET ILE SEQRES 4 A 102 ILE LYS HIS PRO MET ASP PHE GLY THR MET LYS ASP LYS SEQRES 5 A 102 ILE VAL ALA ASN GLU TYR LYS SER VAL THR GLU PHE LYS SEQRES 6 A 102 ALA ASP PHE LYS LEU MET CYS ASP ASN ALA MET THR TYR SEQRES 7 A 102 ASN ARG PRO ASP THR VAL TYR TYR LYS LEU ALA LYS LYS SEQRES 8 A 102 ILE LEU HIS ALA GLY PHE LYS MET MET SER LYS HET MOL A 330 46 ATOM 1 N SER A 22 -45.644 -51.779 -19.262 1.00 43.93 N ATOM 2 CA SER A 22 -46.657 -50.818 -18.844 1.00 44.94 C ATOM 3 C SER A 22 -48.025 -51.224 -19.380 1.00 39.58 C ATOM 4 O SER A 22 -48.199 -51.415 -20.584 1.00 40.82 O ATOM 5 CB SER A 22 -46.294 -49.413 -19.328 1.00 50.75 C ATOM 6 OG SER A 22 -47.126 -48.434 -18.729 1.00 53.99 O ATOM 7 HG SER A 22 -46.869 -47.537 -19.060 1.00 0.00 H ATOM 8 HN3 SER A 22 -45.606 -51.811 -20.301 1.00 0.00 H ATOM 9 HN2 SER A 22 -45.888 -52.720 -18.893 1.00 0.00 H ATOM 10 HN1 SER A 22 -44.718 -51.489 -18.889 1.00 0.00 H ATOM 11 N THR A 23 -48.992 -51.359 -18.484 1.00 27.24 N ATOM 12 CA THR A 23 -50.333 -51.752 -18.880 1.00 21.23 C ATOM 13 C THR A 23 -51.149 -50.530 -19.269 1.00 16.47 C ATOM 14 O THR A 23 -50.786 -49.393 -18.948 1.00 16.53 O ATOM 15 CB THR A 23 -51.030 -52.455 -17.720 1.00 19.51 C ATOM 16 OG1 THR A 23 -51.204 -51.529 -16.640 1.00 21.19 O ATOM 17 CG2 THR A 23 -50.210 -53.649 -17.247 1.00 23.89 C ATOM 18 HG1 THR A 23 -50.319 -51.199 -16.344 1.00 0.00 H ATOM 19 H THR A 23 -48.787 -51.180 -17.480 1.00 0.00 H ATOM 20 N PRO A 24 -52.265 -50.735 -19.972 1.00 15.49 N ATOM 21 CA PRO A 24 -53.148 -49.599 -20.276 1.00 15.76 C ATOM 22 C PRO A 24 -53.561 -48.805 -19.048 1.00 13.59 C ATOM 23 O PRO A 24 -53.607 -47.570 -19.104 1.00 13.46 O ATOM 24 CB PRO A 24 -54.338 -50.267 -20.977 1.00 16.46 C ATOM 25 CG PRO A 24 -53.740 -51.479 -21.627 1.00 20.06 C ATOM 26 CD PRO A 24 -52.689 -51.969 -20.659 1.00 17.41 C ATOM 27 N ILE A 25 -53.862 -49.470 -17.931 1.00 14.12 N ATOM 28 CA ILE A 25 -54.251 -48.724 -16.739 1.00 14.39 C ATOM 29 C ILE A 25 -53.092 -47.877 -16.229 1.00 12.84 C ATOM 30 O ILE A 25 -53.273 -46.707 -15.877 1.00 11.72 O ATOM 31 CB ILE A 25 -54.831 -49.652 -15.655 1.00 16.03 C ATOM 32 CG1 ILE A 25 -56.125 -50.294 -16.154 1.00 30.07 C ATOM 33 CG2 ILE A 25 -55.090 -48.867 -14.377 1.00 20.81 C ATOM 34 CD1 ILE A 25 -56.611 -51.440 -15.301 1.00 32.92 C ATOM 35 H ILE A 25 -53.820 -50.509 -17.910 1.00 0.00 H ATOM 36 N GLN A 26 -51.881 -48.439 -16.198 1.00 13.22 N ATOM 37 CA GLN A 26 -50.733 -47.649 -15.759 1.00 13.20 C ATOM 38 C GLN A 26 -50.549 -46.418 -16.642 1.00 12.69 C ATOM 39 O GLN A 26 -50.261 -45.321 -16.147 1.00 13.10 O ATOM 40 CB GLN A 26 -49.466 -48.508 -15.729 1.00 14.88 C ATOM 41 CG GLN A 26 -49.405 -49.503 -14.574 1.00 15.21 C ATOM 42 CD GLN A 26 -48.238 -50.464 -14.700 1.00 14.25 C ATOM 43 OE1 GLN A 26 -48.192 -51.290 -15.615 1.00 18.16 O ATOM 44 NE2 GLN A 26 -47.283 -50.359 -13.781 1.00 15.92 N ATOM 45 HE22 GLN A 26 -47.363 -49.648 -13.027 1.00 0.00 H ATOM 46 HE21 GLN A 26 -46.456 -50.988 -13.816 1.00 0.00 H ATOM 47 H GLN A 26 -51.756 -49.431 -16.484 1.00 0.00 H ATOM 48 N GLN A 27 -50.727 -46.579 -17.955 1.00 13.14 N ATOM 49 CA GLN A 27 -50.580 -45.451 -18.872 1.00 13.31 C ATOM 50 C GLN A 27 -51.612 -44.361 -18.595 1.00 11.23 C ATOM 51 O GLN A 27 -51.287 -43.165 -18.618 1.00 12.34 O ATOM 52 CB GLN A 27 -50.701 -45.939 -20.316 1.00 15.18 C ATOM 53 CG GLN A 27 -49.539 -46.788 -20.802 1.00 25.44 C ATOM 54 CD GLN A 27 -48.343 -45.955 -21.215 1.00 38.35 C ATOM 55 OE1 GLN A 27 -47.932 -45.039 -20.503 1.00 42.09 O ATOM 56 NE2 GLN A 27 -47.782 -46.264 -22.380 1.00 39.98 N ATOM 57 HE22 GLN A 27 -48.163 -47.047 -22.949 1.00 0.00 H ATOM 58 HE21 GLN A 27 -46.962 -45.723 -22.722 1.00 0.00 H ATOM 59 H GLN A 27 -50.973 -47.518 -18.329 1.00 0.00 H ATOM 60 N LEU A 28 -52.867 -44.749 -18.358 1.00 11.69 N ATOM 61 CA LEU A 28 -53.904 -43.763 -18.066 1.00 11.72 C ATOM 62 C LEU A 28 -53.624 -43.054 -16.748 1.00 10.30 C ATOM 63 O LEU A 28 -53.778 -41.831 -16.647 1.00 10.82 O ATOM 64 CB LEU A 28 -55.277 -44.435 -18.021 1.00 11.65 C ATOM 65 CG LEU A 28 -56.457 -43.527 -17.658 1.00 12.04 C ATOM 66 CD1 LEU A 28 -56.606 -42.379 -18.645 1.00 13.27 C ATOM 67 CD2 LEU A 28 -57.756 -44.315 -17.539 1.00 14.46 C ATOM 68 H LEU A 28 -53.108 -45.760 -18.381 1.00 0.00 H ATOM 69 N LEU A 29 -53.206 -43.805 -15.728 1.00 10.18 N ATOM 70 CA LEU A 29 -52.933 -43.185 -14.438 1.00 9.72 C ATOM 71 C LEU A 29 -51.731 -42.249 -14.508 1.00 10.45 C ATOM 72 O LEU A 29 -51.730 -41.200 -13.852 1.00 10.44 O ATOM 73 CB LEU A 29 -52.768 -44.249 -13.355 1.00 10.37 C ATOM 74 CG LEU A 29 -53.994 -45.143 -13.149 1.00 10.57 C ATOM 75 CD1 LEU A 29 -53.752 -46.097 -11.994 1.00 11.26 C ATOM 76 CD2 LEU A 29 -55.273 -44.337 -12.932 1.00 12.29 C ATOM 77 H LEU A 29 -53.075 -44.829 -15.853 1.00 0.00 H ATOM 78 N GLU A 30 -50.696 -42.600 -15.278 1.00 10.80 N ATOM 79 CA GLU A 30 -49.585 -41.669 -15.464 1.00 11.59 C ATOM 80 C GLU A 30 -50.065 -40.374 -16.104 1.00 10.68 C ATOM 81 O GLU A 30 -49.597 -39.283 -15.752 1.00 11.63 O ATOM 82 CB GLU A 30 -48.478 -42.302 -16.309 1.00 13.06 C ATOM 83 CG GLU A 30 -47.779 -43.488 -15.657 1.00 15.92 C ATOM 84 CD GLU A 30 -46.589 -43.086 -14.804 1.00 24.82 C ATOM 85 OE1 GLU A 30 -46.402 -41.875 -14.563 1.00 26.97 O ATOM 86 OE2 GLU A 30 -45.833 -43.988 -14.379 1.00 25.83 O ATOM 87 H GLU A 30 -50.682 -43.531 -15.742 1.00 0.00 H ATOM 88 N HIS A 31 -51.004 -40.479 -17.049 1.00 11.19 N ATOM 89 CA HIS A 31 -51.577 -39.297 -17.682 1.00 11.45 C ATOM 90 C HIS A 31 -52.338 -38.448 -16.666 1.00 10.41 C ATOM 91 O HIS A 31 -52.123 -37.233 -16.572 1.00 11.62 O ATOM 92 CB HIS A 31 -52.475 -39.730 -18.848 1.00 11.56 C ATOM 93 CG HIS A 31 -53.407 -38.663 -19.320 1.00 11.67 C ATOM 94 ND1 HIS A 31 -52.984 -37.563 -20.036 1.00 15.44 N ATOM 95 CD2 HIS A 31 -54.741 -38.515 -19.156 1.00 13.54 C ATOM 96 CE1 HIS A 31 -54.022 -36.788 -20.297 1.00 15.27 C ATOM 97 NE2 HIS A 31 -55.100 -37.344 -19.777 1.00 15.20 N ATOM 98 H HIS A 31 -51.333 -41.422 -17.339 1.00 0.00 H ATOM 99 N PHE A 32 -53.232 -39.072 -15.886 1.00 10.95 N ATOM 100 CA PHE A 32 -53.953 -38.322 -14.859 1.00 10.56 C ATOM 101 C PHE A 32 -52.990 -37.671 -13.874 1.00 10.32 C ATOM 102 O PHE A 32 -53.167 -36.501 -13.501 1.00 10.67 O ATOM 103 CB PHE A 32 -54.927 -39.225 -14.096 1.00 11.36 C ATOM 104 CG PHE A 32 -56.191 -39.582 -14.848 1.00 11.37 C ATOM 105 CD1 PHE A 32 -56.672 -38.804 -15.893 1.00 12.40 C ATOM 106 CD2 PHE A 32 -56.919 -40.697 -14.463 1.00 13.87 C ATOM 107 CE1 PHE A 32 -57.847 -39.151 -16.550 1.00 14.29 C ATOM 108 CE2 PHE A 32 -58.086 -41.043 -15.116 1.00 16.14 C ATOM 109 CZ PHE A 32 -58.549 -40.267 -16.159 1.00 15.16 C ATOM 110 H PHE A 32 -53.412 -40.089 -16.011 1.00 0.00 H ATOM 111 N LEU A 33 -51.966 -38.410 -13.433 1.00 10.19 N ATOM 112 CA LEU A 33 -51.050 -37.860 -12.440 1.00 9.82 C ATOM 113 C LEU A 33 -50.305 -36.647 -12.990 1.00 10.35 C ATOM 114 O LEU A 33 -50.126 -35.642 -12.286 1.00 10.67 O ATOM 115 CB LEU A 33 -50.083 -38.940 -11.959 1.00 10.59 C ATOM 116 CG LEU A 33 -49.095 -38.493 -10.881 1.00 11.11 C ATOM 117 CD1 LEU A 33 -49.825 -37.985 -9.643 1.00 13.98 C ATOM 118 CD2 LEU A 33 -48.170 -39.641 -10.518 1.00 14.38 C ATOM 119 H LEU A 33 -51.823 -39.374 -13.797 1.00 0.00 H ATOM 120 N ARG A 34 -49.868 -36.714 -14.249 1.00 10.74 N ATOM 121 CA ARG A 34 -49.222 -35.557 -14.861 1.00 12.22 C ATOM 122 C ARG A 34 -50.143 -34.345 -14.830 1.00 11.53 C ATOM 123 O ARG A 34 -49.726 -33.230 -14.486 1.00 12.58 O ATOM 124 CB ARG A 34 -48.843 -35.868 -16.311 1.00 15.10 C ATOM 125 CG ARG A 34 -47.550 -36.646 -16.506 1.00 17.96 C ATOM 126 CD ARG A 34 -47.139 -36.690 -17.982 1.00 18.97 C ATOM 127 NE ARG A 34 -48.088 -37.427 -18.817 1.00 18.98 N ATOM 128 CZ ARG A 34 -48.020 -38.735 -19.049 1.00 17.25 C ATOM 129 NH1 ARG A 34 -47.049 -39.458 -18.505 1.00 22.36 N ATOM 130 NH2 ARG A 34 -48.924 -39.321 -19.823 1.00 21.59 N ATOM 131 HE ARG A 34 -48.865 -36.894 -19.257 1.00 0.00 H ATOM 132 HH12 ARG A 34 -46.997 -40.481 -18.687 1.00 0.00 H ATOM 133 HH11 ARG A 34 -46.340 -39.002 -17.896 1.00 0.00 H ATOM 134 HH22 ARG A 34 -48.870 -40.344 -20.003 1.00 0.00 H ATOM 135 HH21 ARG A 34 -49.687 -38.758 -20.249 1.00 0.00 H ATOM 136 H ARG A 34 -49.988 -37.591 -14.795 1.00 0.00 H ATOM 137 N GLN A 35 -51.408 -34.542 -15.195 1.00 11.71 N ATOM 138 CA GLN A 35 -52.343 -33.424 -15.242 1.00 12.01 C ATOM 139 C GLN A 35 -52.637 -32.881 -13.847 1.00 11.24 C ATOM 140 O GLN A 35 -52.790 -31.664 -13.669 1.00 12.95 O ATOM 141 CB GLN A 35 -53.627 -33.845 -15.955 1.00 13.78 C ATOM 142 CG GLN A 35 -53.416 -34.219 -17.411 1.00 14.70 C ATOM 143 CD GLN A 35 -52.648 -33.157 -18.171 1.00 21.17 C ATOM 144 OE1 GLN A 35 -53.034 -31.987 -18.188 1.00 23.10 O ATOM 145 NE2 GLN A 35 -51.546 -33.557 -18.793 1.00 25.91 N ATOM 146 HE22 GLN A 35 -51.259 -34.556 -18.751 1.00 0.00 H ATOM 147 HE21 GLN A 35 -50.970 -32.872 -19.322 1.00 0.00 H ATOM 148 H GLN A 35 -51.731 -35.498 -15.448 1.00 0.00 H ATOM 149 N LEU A 36 -52.729 -33.766 -12.850 1.00 11.13 N ATOM 150 CA LEU A 36 -52.988 -33.316 -11.486 1.00 11.17 C ATOM 151 C LEU A 36 -51.808 -32.533 -10.928 1.00 10.50 C ATOM 152 O LEU A 36 -51.997 -31.495 -10.280 1.00 10.90 O ATOM 153 CB LEU A 36 -53.303 -34.514 -10.590 1.00 11.19 C ATOM 154 CG LEU A 36 -54.608 -35.258 -10.877 1.00 11.54 C ATOM 155 CD1 LEU A 36 -54.651 -36.567 -10.104 1.00 12.89 C ATOM 156 CD2 LEU A 36 -55.840 -34.414 -10.564 1.00 12.73 C ATOM 157 H LEU A 36 -52.615 -34.781 -13.047 1.00 0.00 H ATOM 158 N GLN A 37 -50.582 -32.993 -11.186 1.00 10.58 N ATOM 159 CA GLN A 37 -49.411 -32.323 -10.625 1.00 11.75 C ATOM 160 C GLN A 37 -49.221 -30.930 -11.208 1.00 12.37 C ATOM 161 O GLN A 37 -48.680 -30.043 -10.532 1.00 13.35 O ATOM 162 CB GLN A 37 -48.149 -33.172 -10.792 1.00 13.97 C ATOM 163 CG GLN A 37 -48.152 -34.415 -9.928 1.00 16.96 C ATOM 164 CD GLN A 37 -46.758 -34.912 -9.584 1.00 18.22 C ATOM 165 OE1 GLN A 37 -46.272 -35.865 -10.181 1.00 18.87 O ATOM 166 NE2 GLN A 37 -46.120 -34.277 -8.603 1.00 16.99 N ATOM 167 HE22 GLN A 37 -46.572 -33.472 -8.124 1.00 0.00 H ATOM 168 HE21 GLN A 37 -45.169 -34.586 -8.316 1.00 0.00 H ATOM 169 H GLN A 37 -50.460 -33.832 -11.789 1.00 0.00 H ATOM 170 N ARG A 38 -49.666 -30.713 -12.449 1.00 11.94 N ATOM 171 CA ARG A 38 -49.620 -29.375 -13.028 1.00 13.82 C ATOM 172 C ARG A 38 -50.420 -28.379 -12.200 1.00 12.13 C ATOM 173 O ARG A 38 -50.159 -27.172 -12.265 1.00 13.76 O ATOM 174 CB ARG A 38 -50.163 -29.399 -14.458 1.00 16.19 C ATOM 175 CG ARG A 38 -49.261 -30.063 -15.484 1.00 17.80 C ATOM 176 CD ARG A 38 -49.943 -30.093 -16.845 1.00 24.14 C ATOM 177 NE ARG A 38 -50.396 -28.765 -17.252 1.00 30.66 N ATOM 178 CZ ARG A 38 -51.258 -28.536 -18.238 1.00 38.05 C ATOM 179 NH1 ARG A 38 -51.611 -27.293 -18.538 1.00 39.86 N ATOM 180 NH2 ARG A 38 -51.774 -29.550 -18.920 1.00 38.92 N ATOM 181 HE ARG A 38 -50.019 -27.944 -16.736 1.00 0.00 H ATOM 182 HH12 ARG A 38 -52.285 -27.116 -19.310 1.00 0.00 H ATOM 183 HH11 ARG A 38 -51.213 -26.496 -18.002 1.00 0.00 H ATOM 184 HH22 ARG A 38 -52.448 -29.369 -19.691 1.00 0.00 H ATOM 185 HH21 ARG A 38 -51.504 -30.526 -18.684 1.00 0.00 H ATOM 186 H ARG A 38 -50.048 -31.504 -13.006 1.00 0.00 H ATOM 187 N LYS A 39 -51.419 -28.853 -11.456 1.00 11.08 N ATOM 188 CA LYS A 39 -52.241 -27.986 -10.620 1.00 10.99 C ATOM 189 C LYS A 39 -51.588 -27.650 -9.283 1.00 10.53 C ATOM 190 O LYS A 39 -52.189 -26.917 -8.485 1.00 11.53 O ATOM 191 CB LYS A 39 -53.622 -28.614 -10.393 1.00 12.63 C ATOM 192 CG LYS A 39 -54.405 -28.952 -11.657 1.00 14.43 C ATOM 193 CD LYS A 39 -55.735 -29.609 -11.281 1.00 18.18 C ATOM 194 CE LYS A 39 -56.462 -30.185 -12.484 1.00 24.55 C ATOM 195 NZ LYS A 39 -56.814 -29.130 -13.464 1.00 26.90 N ATOM 196 HZ1 LYS A 39 -57.433 -28.429 -13.009 1.00 0.00 H ATOM 197 HZ2 LYS A 39 -55.946 -28.664 -13.796 1.00 0.00 H ATOM 198 HZ3 LYS A 39 -57.309 -29.560 -14.271 1.00 0.00 H ATOM 199 H LYS A 39 -51.619 -29.874 -11.472 1.00 0.00 H ATOM 200 N ASP A 40 -50.382 -28.167 -9.027 1.00 9.73 N ATOM 201 CA ASP A 40 -49.619 -27.907 -7.805 1.00 10.68 C ATOM 202 C ASP A 40 -48.246 -27.370 -8.206 1.00 9.27 C ATOM 203 O ASP A 40 -47.219 -28.031 -8.011 1.00 10.59 O ATOM 204 CB ASP A 40 -49.495 -29.204 -7.001 1.00 10.08 C ATOM 205 CG ASP A 40 -48.610 -29.073 -5.764 1.00 9.28 C ATOM 206 OD1 ASP A 40 -48.538 -27.977 -5.157 1.00 10.10 O ATOM 207 OD2 ASP A 40 -48.007 -30.109 -5.392 1.00 10.03 O ATOM 208 H ASP A 40 -49.959 -28.794 -9.741 1.00 0.00 H ATOM 209 N PRO A 41 -48.193 -26.157 -8.764 1.00 10.20 N ATOM 210 CA PRO A 41 -46.911 -25.656 -9.289 1.00 10.80 C ATOM 211 C PRO A 41 -45.842 -25.425 -8.230 1.00 9.64 C ATOM 212 O PRO A 41 -44.654 -25.462 -8.568 1.00 11.34 O ATOM 213 CB PRO A 41 -47.298 -24.348 -9.993 1.00 11.85 C ATOM 214 CG PRO A 41 -48.581 -23.931 -9.332 1.00 11.19 C ATOM 215 CD PRO A 41 -49.298 -25.223 -9.052 1.00 11.00 C ATOM 216 N HIS A 42 -46.209 -25.188 -6.971 1.00 9.82 N ATOM 217 CA HIS A 42 -45.225 -25.063 -5.898 1.00 10.56 C ATOM 218 C HIS A 42 -44.731 -26.407 -5.378 1.00 10.61 C ATOM 219 O HIS A 42 -43.794 -26.439 -4.570 1.00 12.05 O ATOM 220 CB HIS A 42 -45.795 -24.269 -4.716 1.00 10.43 C ATOM 221 CG HIS A 42 -46.109 -22.842 -5.033 1.00 10.70 C ATOM 222 ND1 HIS A 42 -45.137 -21.872 -5.167 1.00 11.61 N ATOM 223 CD2 HIS A 42 -47.293 -22.216 -5.229 1.00 10.85 C ATOM 224 CE1 HIS A 42 -45.710 -20.712 -5.438 1.00 11.18 C ATOM 225 NE2 HIS A 42 -47.018 -20.892 -5.475 1.00 10.51 N ATOM 226 H HIS A 42 -47.220 -25.090 -6.747 1.00 0.00 H ATOM 227 N GLY A 43 -45.338 -27.512 -5.798 1.00 9.67 N ATOM 228 CA GLY A 43 -44.918 -28.815 -5.326 1.00 9.56 C ATOM 229 C GLY A 43 -45.228 -29.112 -3.874 1.00 8.72 C ATOM 230 O GLY A 43 -44.569 -29.969 -3.277 1.00 9.14 O ATOM 231 H GLY A 43 -46.125 -27.440 -6.474 1.00 0.00 H ATOM 232 N PHE A 44 -46.255 -28.478 -3.298 1.00 8.84 N ATOM 233 CA PHE A 44 -46.596 -28.768 -1.910 1.00 9.02 C ATOM 234 C PHE A 44 -47.001 -30.231 -1.717 1.00 8.71 C ATOM 235 O PHE A 44 -46.775 -30.799 -0.635 1.00 9.41 O ATOM 236 CB PHE A 44 -47.738 -27.865 -1.430 1.00 9.71 C ATOM 237 CG PHE A 44 -47.444 -26.375 -1.474 1.00 9.06 C ATOM 238 CD1 PHE A 44 -46.230 -25.855 -1.045 1.00 9.83 C ATOM 239 CD2 PHE A 44 -48.419 -25.489 -1.909 1.00 9.85 C ATOM 240 CE1 PHE A 44 -45.993 -24.483 -1.071 1.00 11.43 C ATOM 241 CE2 PHE A 44 -48.191 -24.122 -1.939 1.00 11.72 C ATOM 242 CZ PHE A 44 -46.978 -23.617 -1.519 1.00 11.53 C ATOM 243 H PHE A 44 -46.808 -27.781 -3.837 1.00 0.00 H ATOM 244 N PHE A 45 -47.633 -30.837 -2.730 1.00 9.16 N ATOM 245 CA PHE A 45 -48.068 -32.227 -2.704 1.00 8.70 C ATOM 246 C PHE A 45 -47.034 -33.195 -3.297 1.00 8.13 C ATOM 247 O PHE A 45 -47.332 -34.387 -3.458 1.00 9.02 O ATOM 248 CB PHE A 45 -49.378 -32.381 -3.497 1.00 9.16 C ATOM 249 CG PHE A 45 -50.616 -31.792 -2.843 1.00 8.52 C ATOM 250 CD1 PHE A 45 -51.205 -32.408 -1.740 1.00 8.99 C ATOM 251 CD2 PHE A 45 -51.224 -30.657 -3.370 1.00 10.00 C ATOM 252 CE1 PHE A 45 -52.375 -31.921 -1.192 1.00 9.53 C ATOM 253 CE2 PHE A 45 -52.388 -30.155 -2.809 1.00 11.61 C ATOM 254 CZ PHE A 45 -52.954 -30.782 -1.715 1.00 11.29 C ATOM 255 H PHE A 45 -47.825 -30.281 -3.588 1.00 0.00 H ATOM 256 N ALA A 46 -45.817 -32.736 -3.600 1.00 8.47 N ATOM 257 CA ALA A 46 -44.892 -33.556 -4.383 1.00 8.37 C ATOM 258 C ALA A 46 -44.329 -34.739 -3.600 1.00 8.52 C ATOM 259 O ALA A 46 -44.051 -35.792 -4.200 1.00 9.28 O ATOM 260 CB ALA A 46 -43.753 -32.694 -4.924 1.00 10.17 C ATOM 261 H ALA A 46 -45.525 -31.791 -3.278 1.00 0.00 H ATOM 262 N PHE A 47 -44.135 -34.593 -2.293 1.00 8.41 N ATOM 263 CA PHE A 47 -43.426 -35.574 -1.484 1.00 8.71 C ATOM 264 C PHE A 47 -44.125 -35.740 -0.141 1.00 8.46 C ATOM 265 O PHE A 47 -44.905 -34.873 0.274 1.00 9.36 O ATOM 266 CB PHE A 47 -41.977 -35.117 -1.251 1.00 9.34 C ATOM 267 CG PHE A 47 -41.221 -34.843 -2.526 1.00 9.48 C ATOM 268 CD1 PHE A 47 -40.880 -35.882 -3.377 1.00 10.83 C ATOM 269 CD2 PHE A 47 -40.865 -33.548 -2.877 1.00 10.72 C ATOM 270 CE1 PHE A 47 -40.196 -35.640 -4.556 1.00 11.63 C ATOM 271 CE2 PHE A 47 -40.176 -33.298 -4.055 1.00 11.33 C ATOM 272 CZ PHE A 47 -39.846 -34.349 -4.897 1.00 11.80 C ATOM 273 H PHE A 47 -44.506 -33.740 -1.828 1.00 0.00 H ATOM 274 N PRO A 48 -43.870 -36.841 0.565 1.00 8.50 N ATOM 275 CA PRO A 48 -44.472 -36.989 1.899 1.00 9.44 C ATOM 276 C PRO A 48 -44.185 -35.779 2.788 1.00 8.75 C ATOM 277 O PRO A 48 -43.076 -35.246 2.797 1.00 9.32 O ATOM 278 CB PRO A 48 -43.820 -38.265 2.443 1.00 9.89 C ATOM 279 CG PRO A 48 -43.459 -39.060 1.211 1.00 10.38 C ATOM 280 CD PRO A 48 -43.063 -38.020 0.185 1.00 9.89 C ATOM 281 N VAL A 49 -45.200 -35.360 3.557 1.00 9.56 N ATOM 282 CA VAL A 49 -45.036 -34.264 4.519 1.00 9.55 C ATOM 283 C VAL A 49 -44.182 -34.728 5.694 1.00 10.89 C ATOM 284 O VAL A 49 -44.452 -35.772 6.301 1.00 11.49 O ATOM 285 CB VAL A 49 -46.406 -33.796 5.037 1.00 10.41 C ATOM 286 CG1 VAL A 49 -46.234 -32.648 6.024 1.00 12.71 C ATOM 287 CG2 VAL A 49 -47.320 -33.388 3.892 1.00 11.59 C ATOM 288 H VAL A 49 -46.127 -35.823 3.470 1.00 0.00 H ATOM 289 N THR A 50 -43.159 -33.949 6.039 1.00 10.82 N ATOM 290 CA THR A 50 -42.339 -34.261 7.205 1.00 10.88 C ATOM 291 C THR A 50 -42.836 -33.515 8.442 1.00 10.37 C ATOM 292 O THR A 50 -43.422 -32.434 8.348 1.00 11.41 O ATOM 293 CB THR A 50 -40.869 -33.912 6.971 1.00 11.72 C ATOM 294 OG1 THR A 50 -40.728 -32.491 6.941 1.00 12.63 O ATOM 295 CG2 THR A 50 -40.356 -34.518 5.669 1.00 14.11 C ATOM 296 HG1 THR A 50 -39.778 -32.258 6.790 1.00 0.00 H ATOM 297 H THR A 50 -42.941 -33.106 5.470 1.00 0.00 H ATOM 298 N ASP A 51 -42.571 -34.099 9.615 1.00 12.02 N ATOM 299 CA ASP A 51 -42.946 -33.447 10.868 1.00 12.18 C ATOM 300 C ASP A 51 -42.167 -32.156 11.087 1.00 12.58 C ATOM 301 O ASP A 51 -42.646 -31.256 11.787 1.00 14.26 O ATOM 302 CB ASP A 51 -42.749 -34.392 12.055 1.00 12.47 C ATOM 303 CG ASP A 51 -43.785 -35.499 12.110 1.00 12.66 C ATOM 304 OD1 ASP A 51 -44.694 -35.547 11.251 1.00 13.89 O ATOM 305 OD2 ASP A 51 -43.689 -36.335 13.033 1.00 14.67 O ATOM 306 H ASP A 51 -42.095 -35.023 9.636 1.00 0.00 H ATOM 307 N ALA A 52 -40.966 -32.046 10.515 1.00 13.11 N ATOM 308 CA ALA A 52 -40.223 -30.797 10.637 1.00 14.33 C ATOM 309 C ALA A 52 -40.963 -29.652 9.961 1.00 13.99 C ATOM 310 O ALA A 52 -40.980 -28.525 10.472 1.00 15.38 O ATOM 311 CB ALA A 52 -38.822 -30.952 10.049 1.00 15.94 C ATOM 312 H ALA A 52 -40.563 -32.845 9.986 1.00 0.00 H ATOM 313 N ILE A 53 -41.576 -29.922 8.807 1.00 12.92 N ATOM 314 CA ILE A 53 -42.333 -28.895 8.103 1.00 12.65 C ATOM 315 C ILE A 53 -43.684 -28.663 8.766 1.00 12.05 C ATOM 316 O ILE A 53 -44.167 -27.526 8.830 1.00 14.89 O ATOM 317 CB ILE A 53 -42.481 -29.279 6.620 1.00 11.91 C ATOM 318 CG1 ILE A 53 -41.134 -29.160 5.901 1.00 15.01 C ATOM 319 CG2 ILE A 53 -43.577 -28.450 5.960 1.00 15.43 C ATOM 320 CD1 ILE A 53 -40.617 -27.749 5.787 1.00 19.26 C ATOM 321 H ILE A 53 -41.513 -30.879 8.404 1.00 0.00 H ATOM 322 N ALA A 54 -44.317 -29.729 9.250 1.00 11.98 N ATOM 323 CA ALA A 54 -45.677 -29.682 9.782 1.00 11.49 C ATOM 324 C ALA A 54 -45.665 -30.372 11.140 1.00 10.96 C ATOM 325 O ALA A 54 -45.859 -31.592 11.231 1.00 11.78 O ATOM 326 CB ALA A 54 -46.657 -30.351 8.818 1.00 12.79 C ATOM 327 H ALA A 54 -43.818 -30.642 9.250 1.00 0.00 H ATOM 328 N PRO A 55 -45.424 -29.626 12.218 1.00 12.66 N ATOM 329 CA PRO A 55 -45.239 -30.254 13.533 1.00 12.50 C ATOM 330 C PRO A 55 -46.356 -31.224 13.892 1.00 12.77 C ATOM 331 O PRO A 55 -47.543 -30.932 13.724 1.00 14.29 O ATOM 332 CB PRO A 55 -45.196 -29.055 14.486 1.00 15.97 C ATOM 333 CG PRO A 55 -44.603 -27.966 13.657 1.00 17.30 C ATOM 334 CD PRO A 55 -45.159 -28.176 12.261 1.00 14.83 C ATOM 335 N GLY A 56 -45.957 -32.394 14.395 1.00 13.17 N ATOM 336 CA GLY A 56 -46.894 -33.413 14.831 1.00 13.84 C ATOM 337 C GLY A 56 -47.671 -34.109 13.735 1.00 12.94 C ATOM 338 O GLY A 56 -48.586 -34.880 14.043 1.00 14.45 O ATOM 339 H GLY A 56 -44.938 -32.582 14.478 1.00 0.00 H ATOM 340 N TYR A 57 -47.323 -33.885 12.465 1.00 12.60 N ATOM 341 CA TYR A 57 -48.137 -34.385 11.357 1.00 11.41 C ATOM 342 C TYR A 57 -48.370 -35.889 11.457 1.00 12.31 C ATOM 343 O TYR A 57 -49.505 -36.361 11.317 1.00 13.44 O ATOM 344 CB TYR A 57 -47.475 -34.032 10.023 1.00 11.71 C ATOM 345 CG TYR A 57 -48.381 -34.255 8.832 1.00 10.81 C ATOM 346 CD1 TYR A 57 -49.215 -33.242 8.375 1.00 11.19 C ATOM 347 CD2 TYR A 57 -48.412 -35.478 8.169 1.00 11.29 C ATOM 348 CE1 TYR A 57 -50.052 -33.436 7.284 1.00 11.08 C ATOM 349 CE2 TYR A 57 -49.251 -35.683 7.081 1.00 10.62 C ATOM 350 CZ TYR A 57 -50.066 -34.660 6.645 1.00 9.67 C ATOM 351 OH TYR A 57 -50.898 -34.871 5.568 1.00 10.94 O ATOM 352 HH TYR A 57 -51.412 -34.046 5.383 1.00 0.00 H ATOM 353 H TYR A 57 -46.458 -33.345 12.260 1.00 0.00 H ATOM 354 N SER A 58 -47.303 -36.661 11.689 1.00 13.13 N ATOM 355 CA SER A 58 -47.397 -38.117 11.656 1.00 13.96 C ATOM 356 C SER A 58 -48.268 -38.682 12.769 1.00 15.70 C ATOM 357 O SER A 58 -48.710 -39.832 12.670 1.00 17.58 O ATOM 358 CB SER A 58 -46.004 -38.740 11.715 1.00 15.41 C ATOM 359 OG SER A 58 -45.392 -38.486 12.969 1.00 15.59 O ATOM 360 HG SER A 58 -45.311 -37.509 13.104 1.00 0.00 H ATOM 361 H SER A 58 -46.387 -36.215 11.897 1.00 0.00 H ATOM 362 N MET A 59 -48.512 -37.917 13.826 1.00 15.04 N ATOM 363 CA MET A 59 -49.382 -38.381 14.897 1.00 16.61 C ATOM 364 C MET A 59 -50.827 -37.938 14.715 1.00 19.25 C ATOM 365 O MET A 59 -51.712 -38.443 15.416 1.00 22.67 O ATOM 366 CB MET A 59 -48.826 -37.935 16.249 1.00 18.65 C ATOM 367 CG MET A 59 -47.447 -38.501 16.495 1.00 22.04 C ATOM 368 SD MET A 59 -46.718 -37.995 18.048 1.00 25.76 S ATOM 369 CE MET A 59 -46.479 -36.255 17.759 1.00 23.67 C ATOM 370 H MET A 59 -48.076 -36.975 13.890 1.00 0.00 H ATOM 371 N ILE A 60 -51.084 -37.026 13.784 1.00 15.31 N ATOM 372 CA ILE A 60 -52.431 -36.573 13.476 1.00 16.15 C ATOM 373 C ILE A 60 -53.004 -37.299 12.266 1.00 16.18 C ATOM 374 O ILE A 60 -54.162 -37.718 12.282 1.00 19.49 O ATOM 375 CB ILE A 60 -52.424 -35.045 13.264 1.00 16.51 C ATOM 376 CG1 ILE A 60 -52.062 -34.334 14.569 1.00 20.54 C ATOM 377 CG2 ILE A 60 -53.762 -34.563 12.719 1.00 20.45 C ATOM 378 CD1 ILE A 60 -51.831 -32.850 14.413 1.00 23.19 C ATOM 379 H ILE A 60 -50.288 -36.619 13.253 1.00 0.00 H ATOM 380 N ILE A 61 -52.204 -37.462 11.218 1.00 12.58 N ATOM 381 CA ILE A 61 -52.649 -38.036 9.955 1.00 12.40 C ATOM 382 C ILE A 61 -52.206 -39.493 9.921 1.00 13.35 C ATOM 383 O ILE A 61 -51.009 -39.786 9.825 1.00 15.81 O ATOM 384 CB ILE A 61 -52.080 -37.243 8.772 1.00 11.62 C ATOM 385 CG1 ILE A 61 -52.637 -35.815 8.767 1.00 12.30 C ATOM 386 CG2 ILE A 61 -52.367 -37.945 7.460 1.00 12.30 C ATOM 387 CD1 ILE A 61 -54.150 -35.747 8.677 1.00 14.33 C ATOM 388 H ILE A 61 -51.211 -37.165 11.303 1.00 0.00 H ATOM 389 N LYS A 62 -53.173 -40.413 9.974 1.00 14.21 N ATOM 390 CA LYS A 62 -52.857 -41.830 10.095 1.00 14.15 C ATOM 391 C LYS A 62 -52.505 -42.498 8.771 1.00 13.38 C ATOM 392 O LYS A 62 -51.816 -43.525 8.781 1.00 14.26 O ATOM 393 CB LYS A 62 -54.002 -42.570 10.789 1.00 19.57 C ATOM 394 CG LYS A 62 -54.199 -42.125 12.227 1.00 27.16 C ATOM 395 CD LYS A 62 -52.851 -42.037 12.928 1.00 34.23 C ATOM 396 CE LYS A 62 -52.982 -41.570 14.366 1.00 38.73 C ATOM 397 NZ LYS A 62 -51.663 -41.591 15.060 1.00 40.92 N ATOM 398 HZ1 LYS A 62 -51.287 -42.561 15.058 1.00 0.00 H ATOM 399 HZ2 LYS A 62 -51.002 -40.960 14.564 1.00 0.00 H ATOM 400 HZ3 LYS A 62 -51.784 -41.267 16.041 1.00 0.00 H ATOM 401 H LYS A 62 -54.168 -40.113 9.928 1.00 0.00 H ATOM 402 N HIS A 63 -52.951 -41.951 7.643 1.00 11.55 N ATOM 403 CA HIS A 63 -52.730 -42.554 6.331 1.00 11.55 C ATOM 404 C HIS A 63 -52.229 -41.471 5.388 1.00 9.91 C ATOM 405 O HIS A 63 -52.990 -40.943 4.568 1.00 10.33 O ATOM 406 CB HIS A 63 -54.005 -43.225 5.826 1.00 12.57 C ATOM 407 CG HIS A 63 -54.412 -44.393 6.665 1.00 15.04 C ATOM 408 ND1 HIS A 63 -55.489 -44.366 7.524 1.00 21.61 N ATOM 409 CD2 HIS A 63 -53.835 -45.607 6.821 1.00 14.64 C ATOM 410 CE1 HIS A 63 -55.579 -45.529 8.147 1.00 19.76 C ATOM 411 NE2 HIS A 63 -54.587 -46.299 7.739 1.00 21.11 N ATOM 412 H HIS A 63 -53.479 -41.057 7.698 1.00 0.00 H ATOM 413 N PRO A 64 -50.953 -41.114 5.482 1.00 9.94 N ATOM 414 CA PRO A 64 -50.418 -40.042 4.630 1.00 9.65 C ATOM 415 C PRO A 64 -50.414 -40.433 3.158 1.00 9.30 C ATOM 416 O PRO A 64 -50.333 -41.615 2.810 1.00 10.22 O ATOM 417 CB PRO A 64 -48.987 -39.854 5.157 1.00 11.09 C ATOM 418 CG PRO A 64 -48.989 -40.477 6.529 1.00 18.41 C ATOM 419 CD PRO A 64 -49.964 -41.612 6.451 1.00 12.64 C ATOM 420 N MET A 65 -50.520 -39.425 2.293 1.00 9.49 N ATOM 421 CA MET A 65 -50.440 -39.648 0.859 1.00 9.16 C ATOM 422 C MET A 65 -49.929 -38.377 0.192 1.00 9.26 C ATOM 423 O MET A 65 -50.082 -37.270 0.722 1.00 9.38 O ATOM 424 CB MET A 65 -51.805 -40.081 0.291 1.00 9.96 C ATOM 425 CG MET A 65 -51.817 -40.506 -1.167 1.00 10.47 C ATOM 426 SD MET A 65 -50.600 -41.783 -1.604 1.00 10.59 S ATOM 427 CE MET A 65 -51.002 -43.089 -0.428 1.00 11.54 C ATOM 428 H MET A 65 -50.663 -38.459 2.651 1.00 0.00 H ATOM 429 N ASP A 66 -49.321 -38.548 -0.983 1.00 9.24 N ATOM 430 CA ASP A 66 -48.711 -37.458 -1.744 1.00 9.65 C ATOM 431 C ASP A 66 -48.480 -37.956 -3.167 1.00 8.86 C ATOM 432 O ASP A 66 -48.532 -39.158 -3.431 1.00 9.12 O ATOM 433 CB ASP A 66 -47.375 -37.034 -1.138 1.00 10.33 C ATOM 434 CG ASP A 66 -46.353 -38.135 -1.230 1.00 9.99 C ATOM 435 OD1 ASP A 66 -46.391 -39.049 -0.382 1.00 10.55 O ATOM 436 OD2 ASP A 66 -45.555 -38.140 -2.190 1.00 10.46 O ATOM 437 H ASP A 66 -49.278 -39.509 -1.379 1.00 0.00 H ATOM 438 N PHE A 67 -48.218 -37.015 -4.089 1.00 8.85 N ATOM 439 CA PHE A 67 -48.079 -37.377 -5.500 1.00 9.00 C ATOM 440 C PHE A 67 -46.855 -38.263 -5.758 1.00 8.92 C ATOM 441 O PHE A 67 -46.870 -39.066 -6.703 1.00 9.94 O ATOM 442 CB PHE A 67 -47.943 -36.116 -6.351 1.00 9.84 C ATOM 443 CG PHE A 67 -49.233 -35.356 -6.615 1.00 9.31 C ATOM 444 CD1 PHE A 67 -50.418 -35.986 -6.966 1.00 10.26 C ATOM 445 CD2 PHE A 67 -49.212 -33.974 -6.595 1.00 9.98 C ATOM 446 CE1 PHE A 67 -51.565 -35.236 -7.265 1.00 11.12 C ATOM 447 CE2 PHE A 67 -50.345 -33.225 -6.896 1.00 11.10 C ATOM 448 CZ PHE A 67 -51.523 -33.855 -7.228 1.00 11.44 C ATOM 449 H PHE A 67 -48.113 -36.022 -3.798 1.00 0.00 H ATOM 450 N GLY A 68 -45.773 -38.093 -4.990 1.00 9.75 N ATOM 451 CA GLY A 68 -44.599 -38.930 -5.195 1.00 10.58 C ATOM 452 C GLY A 68 -44.864 -40.380 -4.845 1.00 10.29 C ATOM 453 O GLY A 68 -44.466 -41.298 -5.577 1.00 10.68 O ATOM 454 H GLY A 68 -45.770 -37.364 -4.248 1.00 0.00 H ATOM 455 N THR A 69 -45.550 -40.603 -3.721 1.00 9.92 N ATOM 456 CA THR A 69 -45.991 -41.946 -3.369 1.00 9.92 C ATOM 457 C THR A 69 -46.932 -42.514 -4.428 1.00 9.21 C ATOM 458 O THR A 69 -46.835 -43.696 -4.786 1.00 9.86 O ATOM 459 CB THR A 69 -46.663 -41.916 -1.991 1.00 9.70 C ATOM 460 OG1 THR A 69 -45.730 -41.431 -1.016 1.00 11.51 O ATOM 461 CG2 THR A 69 -47.133 -43.302 -1.581 1.00 12.49 C ATOM 462 HG1 THR A 69 -44.943 -42.031 -0.987 1.00 0.00 H ATOM 463 H THR A 69 -45.772 -39.808 -3.089 1.00 0.00 H ATOM 464 N MET A 70 -47.857 -41.692 -4.936 1.00 9.07 N ATOM 465 CA MET A 70 -48.777 -42.164 -5.969 1.00 9.42 C ATOM 466 C MET A 70 -48.028 -42.614 -7.220 1.00 8.65 C ATOM 467 O MET A 70 -48.354 -43.655 -7.802 1.00 9.45 O ATOM 468 CB MET A 70 -49.799 -41.072 -6.300 1.00 9.25 C ATOM 469 CG MET A 70 -50.791 -40.805 -5.160 1.00 10.12 C ATOM 470 SD MET A 70 -51.921 -39.435 -5.409 1.00 12.94 S ATOM 471 CE MET A 70 -52.912 -40.033 -6.782 1.00 19.32 C ATOM 472 H MET A 70 -47.922 -40.712 -4.594 1.00 0.00 H ATOM 473 N LYS A 71 -47.014 -41.849 -7.646 1.00 9.07 N ATOM 474 CA LYS A 71 -46.201 -42.260 -8.791 1.00 9.64 C ATOM 475 C LYS A 71 -45.556 -43.619 -8.544 1.00 9.71 C ATOM 476 O LYS A 71 -45.584 -44.505 -9.410 1.00 10.30 O ATOM 477 CB LYS A 71 -45.131 -41.202 -9.074 1.00 10.28 C ATOM 478 CG LYS A 71 -44.078 -41.606 -10.090 1.00 13.87 C ATOM 479 CD LYS A 71 -44.575 -41.511 -11.513 1.00 19.66 C ATOM 480 CE LYS A 71 -43.429 -41.777 -12.479 1.00 26.67 C ATOM 481 NZ LYS A 71 -43.794 -41.482 -13.889 1.00 31.32 N ATOM 482 HZ1 LYS A 71 -44.597 -42.080 -14.171 1.00 0.00 H ATOM 483 HZ2 LYS A 71 -44.060 -40.480 -13.975 1.00 0.00 H ATOM 484 HZ3 LYS A 71 -42.980 -41.680 -14.505 1.00 0.00 H ATOM 485 H LYS A 71 -46.803 -40.955 -7.158 1.00 0.00 H ATOM 486 N ASP A 72 -44.952 -43.796 -7.367 1.00 9.66 N ATOM 487 CA ASP A 72 -44.326 -45.077 -7.061 1.00 9.58 C ATOM 488 C ASP A 72 -45.347 -46.210 -7.089 1.00 9.40 C ATOM 489 O ASP A 72 -45.043 -47.320 -7.548 1.00 10.46 O ATOM 490 CB ASP A 72 -43.607 -45.017 -5.710 1.00 11.00 C ATOM 491 CG ASP A 72 -42.319 -44.201 -5.748 1.00 11.98 C ATOM 492 OD1 ASP A 72 -41.764 -43.993 -6.845 1.00 13.91 O ATOM 493 OD2 ASP A 72 -41.855 -43.797 -4.656 1.00 12.07 O ATOM 494 H ASP A 72 -44.928 -43.024 -6.671 1.00 0.00 H ATOM 495 N LYS A 73 -46.565 -45.952 -6.609 1.00 9.18 N ATOM 496 CA LYS A 73 -47.602 -46.979 -6.633 1.00 9.83 C ATOM 497 C LYS A 73 -48.035 -47.323 -8.059 1.00 9.64 C ATOM 498 O LYS A 73 -48.299 -48.494 -8.357 1.00 10.54 O ATOM 499 CB LYS A 73 -48.782 -46.572 -5.746 1.00 9.87 C ATOM 500 CG LYS A 73 -48.462 -46.635 -4.250 1.00 10.74 C ATOM 501 CD LYS A 73 -49.625 -46.222 -3.365 1.00 12.18 C ATOM 502 CE LYS A 73 -50.759 -47.228 -3.367 1.00 12.74 C ATOM 503 NZ LYS A 73 -51.752 -46.907 -2.294 1.00 13.94 N ATOM 504 HZ1 LYS A 73 -51.280 -46.933 -1.368 1.00 0.00 H ATOM 505 HZ2 LYS A 73 -52.143 -45.958 -2.458 1.00 0.00 H ATOM 506 HZ3 LYS A 73 -52.520 -47.608 -2.313 1.00 0.00 H ATOM 507 H LYS A 73 -46.777 -45.013 -6.215 1.00 0.00 H ATOM 508 N ILE A 74 -48.122 -46.328 -8.952 1.00 9.75 N ATOM 509 CA ILE A 74 -48.417 -46.634 -10.353 1.00 10.49 C ATOM 510 C ILE A 74 -47.360 -47.570 -10.916 1.00 10.75 C ATOM 511 O ILE A 74 -47.674 -48.608 -11.515 1.00 11.86 O ATOM 512 CB ILE A 74 -48.512 -45.359 -11.214 1.00 10.32 C ATOM 513 CG1 ILE A 74 -49.676 -44.462 -10.796 1.00 9.94 C ATOM 514 CG2 ILE A 74 -48.671 -45.745 -12.682 1.00 13.23 C ATOM 515 CD1 ILE A 74 -49.650 -43.100 -11.471 1.00 11.35 C ATOM 516 H ILE A 74 -47.981 -45.343 -8.651 1.00 0.00 H ATOM 517 N VAL A 75 -46.086 -47.205 -10.747 1.00 10.60 N ATOM 518 CA VAL A 75 -44.996 -47.968 -11.346 1.00 11.85 C ATOM 519 C VAL A 75 -44.938 -49.375 -10.761 1.00 11.30 C ATOM 520 O VAL A 75 -44.625 -50.348 -11.463 1.00 13.35 O ATOM 521 CB VAL A 75 -43.674 -47.192 -11.193 1.00 12.40 C ATOM 522 CG1 VAL A 75 -42.502 -48.020 -11.675 1.00 14.34 C ATOM 523 CG2 VAL A 75 -43.752 -45.873 -11.961 1.00 14.40 C ATOM 524 H VAL A 75 -45.867 -46.362 -10.178 1.00 0.00 H ATOM 525 N ALA A 76 -45.250 -49.506 -9.469 1.00 11.17 N ATOM 526 CA ALA A 76 -45.290 -50.801 -8.798 1.00 11.89 C ATOM 527 C ALA A 76 -46.534 -51.611 -9.140 1.00 10.96 C ATOM 528 O ALA A 76 -46.635 -52.763 -8.698 1.00 12.93 O ATOM 529 CB ALA A 76 -45.197 -50.610 -7.284 1.00 13.09 C ATOM 530 H ALA A 76 -45.473 -48.652 -8.920 1.00 0.00 H ATOM 531 N ASN A 77 -47.463 -51.045 -9.916 1.00 12.35 N ATOM 532 CA ASN A 77 -48.684 -51.721 -10.355 1.00 13.09 C ATOM 533 C ASN A 77 -49.668 -51.978 -9.215 1.00 12.57 C ATOM 534 O ASN A 77 -50.415 -52.960 -9.244 1.00 14.08 O ATOM 535 CB ASN A 77 -48.396 -53.004 -11.141 1.00 16.00 C ATOM 536 CG ASN A 77 -49.496 -53.330 -12.123 1.00 19.97 C ATOM 537 OD1 ASN A 77 -50.199 -52.435 -12.600 1.00 21.60 O ATOM 538 ND2 ASN A 77 -49.660 -54.612 -12.428 1.00 23.53 N ATOM 539 HD22 ASN A 77 -49.043 -55.331 -12.000 1.00 0.00 H ATOM 540 HD21 ASN A 77 -50.406 -54.897 -13.094 1.00 0.00 H ATOM 541 H ASN A 77 -47.309 -50.065 -10.227 1.00 0.00 H ATOM 542 N GLU A 78 -49.696 -51.088 -8.222 1.00 11.45 N ATOM 543 CA GLU A 78 -50.598 -51.249 -7.085 1.00 12.02 C ATOM 544 C GLU A 78 -52.026 -50.815 -7.387 1.00 12.59 C ATOM 545 O GLU A 78 -52.960 -51.299 -6.733 1.00 15.31 O ATOM 546 CB GLU A 78 -50.089 -50.483 -5.864 1.00 11.92 C ATOM 547 CG GLU A 78 -48.932 -51.146 -5.148 1.00 15.87 C ATOM 548 CD GLU A 78 -49.263 -52.539 -4.636 1.00 13.49 C ATOM 549 OE1 GLU A 78 -50.442 -52.803 -4.294 1.00 14.42 O ATOM 550 OE2 GLU A 78 -48.333 -53.373 -4.583 1.00 14.73 O ATOM 551 H GLU A 78 -49.063 -50.263 -8.258 1.00 0.00 H ATOM 552 N TYR A 79 -52.230 -49.893 -8.326 1.00 10.18 N ATOM 553 CA TYR A 79 -53.577 -49.434 -8.650 1.00 9.70 C ATOM 554 C TYR A 79 -54.163 -50.355 -9.714 1.00 11.14 C ATOM 555 O TYR A 79 -53.681 -50.394 -10.852 1.00 14.32 O ATOM 556 CB TYR A 79 -53.569 -47.990 -9.138 1.00 11.11 C ATOM 557 CG TYR A 79 -53.096 -46.982 -8.116 1.00 9.82 C ATOM 558 CD1 TYR A 79 -53.770 -46.805 -6.913 1.00 10.69 C ATOM 559 CD2 TYR A 79 -51.988 -46.181 -8.371 1.00 10.50 C ATOM 560 CE1 TYR A 79 -53.335 -45.863 -5.980 1.00 10.56 C ATOM 561 CE2 TYR A 79 -51.551 -45.247 -7.453 1.00 9.68 C ATOM 562 CZ TYR A 79 -52.222 -45.089 -6.268 1.00 9.82 C ATOM 563 OH TYR A 79 -51.759 -44.148 -5.379 1.00 11.23 O ATOM 564 HH TYR A 79 -52.336 -44.144 -4.574 1.00 0.00 H ATOM 565 H TYR A 79 -51.417 -49.494 -8.837 1.00 0.00 H ATOM 566 N LYS A 80 -55.200 -51.102 -9.349 1.00 11.28 N ATOM 567 CA LYS A 80 -55.837 -52.015 -10.285 1.00 12.19 C ATOM 568 C LYS A 80 -57.057 -51.408 -10.964 1.00 12.93 C ATOM 569 O LYS A 80 -57.632 -52.047 -11.854 1.00 15.47 O ATOM 570 CB LYS A 80 -56.218 -53.324 -9.586 1.00 14.15 C ATOM 571 CG LYS A 80 -55.079 -53.951 -8.799 1.00 12.84 C ATOM 572 CD LYS A 80 -53.868 -54.260 -9.663 1.00 11.86 C ATOM 573 CE LYS A 80 -52.814 -55.009 -8.855 1.00 13.80 C ATOM 574 NZ LYS A 80 -51.619 -55.357 -9.659 1.00 15.81 N ATOM 575 HZ1 LYS A 80 -51.903 -55.964 -10.455 1.00 0.00 H ATOM 576 HZ2 LYS A 80 -51.183 -54.486 -10.024 1.00 0.00 H ATOM 577 HZ3 LYS A 80 -50.936 -55.864 -9.061 1.00 0.00 H ATOM 578 H LYS A 80 -55.562 -51.032 -8.377 1.00 0.00 H ATOM 579 N SER A 81 -57.455 -50.197 -10.574 1.00 12.64 N ATOM 580 CA SER A 81 -58.580 -49.507 -11.185 1.00 12.87 C ATOM 581 C SER A 81 -58.415 -48.009 -10.990 1.00 11.26 C ATOM 582 O SER A 81 -57.702 -47.550 -10.090 1.00 11.82 O ATOM 583 CB SER A 81 -59.915 -49.939 -10.572 1.00 12.31 C ATOM 584 OG SER A 81 -60.004 -49.503 -9.228 1.00 12.65 O ATOM 585 HG SER A 81 -60.871 -49.789 -8.846 1.00 0.00 H ATOM 586 H SER A 81 -56.941 -49.727 -9.802 1.00 0.00 H ATOM 587 N VAL A 82 -59.105 -47.244 -11.837 1.00 12.61 N ATOM 588 CA VAL A 82 -59.137 -45.796 -11.667 1.00 11.66 C ATOM 589 C VAL A 82 -59.739 -45.432 -10.313 1.00 10.88 C ATOM 590 O VAL A 82 -59.325 -44.457 -9.670 1.00 11.40 O ATOM 591 CB VAL A 82 -59.884 -45.134 -12.840 1.00 14.32 C ATOM 592 CG1 VAL A 82 -60.049 -43.645 -12.592 1.00 17.46 C ATOM 593 CG2 VAL A 82 -59.141 -45.381 -14.148 1.00 16.09 C ATOM 594 H VAL A 82 -59.624 -47.683 -12.624 1.00 0.00 H ATOM 595 N THR A 83 -60.731 -46.205 -9.858 1.00 10.71 N ATOM 596 CA THR A 83 -61.349 -45.938 -8.560 1.00 10.73 C ATOM 597 C THR A 83 -60.322 -45.955 -7.426 1.00 9.65 C ATOM 598 O THR A 83 -60.335 -45.080 -6.550 1.00 9.74 O ATOM 599 CB THR A 83 -62.489 -46.931 -8.319 1.00 10.76 C ATOM 600 OG1 THR A 83 -63.514 -46.721 -9.301 1.00 13.38 O ATOM 601 CG2 THR A 83 -63.084 -46.767 -6.937 1.00 11.75 C ATOM 602 HG1 THR A 83 -63.137 -46.861 -10.205 1.00 0.00 H ATOM 603 H THR A 83 -61.066 -47.004 -10.433 1.00 0.00 H ATOM 604 N GLU A 84 -59.421 -46.944 -7.418 1.00 9.63 N ATOM 605 CA GLU A 84 -58.389 -46.997 -6.380 1.00 9.88 C ATOM 606 C GLU A 84 -57.476 -45.776 -6.437 1.00 8.78 C ATOM 607 O GLU A 84 -57.076 -45.237 -5.396 1.00 9.34 O ATOM 608 CB GLU A 84 -57.574 -48.287 -6.522 1.00 9.53 C ATOM 609 CG GLU A 84 -58.332 -49.551 -6.156 1.00 10.08 C ATOM 610 CD GLU A 84 -57.505 -50.817 -6.329 1.00 9.64 C ATOM 611 OE1 GLU A 84 -56.326 -50.732 -6.748 1.00 11.48 O ATOM 612 OE2 GLU A 84 -58.031 -51.912 -6.027 1.00 11.14 O ATOM 613 H GLU A 84 -59.454 -47.679 -8.153 1.00 0.00 H ATOM 614 N PHE A 85 -57.127 -45.341 -7.650 1.00 9.04 N ATOM 615 CA PHE A 85 -56.268 -44.170 -7.815 1.00 8.84 C ATOM 616 C PHE A 85 -56.954 -42.907 -7.299 1.00 9.23 C ATOM 617 O PHE A 85 -56.360 -42.119 -6.550 1.00 9.65 O ATOM 618 CB PHE A 85 -55.885 -44.032 -9.291 1.00 9.26 C ATOM 619 CG PHE A 85 -55.083 -42.794 -9.616 1.00 9.07 C ATOM 620 CD1 PHE A 85 -53.706 -42.796 -9.502 1.00 9.86 C ATOM 621 CD2 PHE A 85 -55.707 -41.647 -10.083 1.00 9.83 C ATOM 622 CE1 PHE A 85 -52.970 -41.663 -9.823 1.00 12.19 C ATOM 623 CE2 PHE A 85 -54.977 -40.512 -10.405 1.00 11.45 C ATOM 624 CZ PHE A 85 -53.609 -40.524 -10.285 1.00 12.00 C ATOM 625 H PHE A 85 -57.472 -45.844 -8.492 1.00 0.00 H ATOM 626 N LYS A 86 -58.216 -42.709 -7.682 1.00 9.13 N ATOM 627 CA LYS A 86 -58.955 -41.531 -7.232 1.00 9.00 C ATOM 628 C LYS A 86 -59.085 -41.497 -5.718 1.00 8.98 C ATOM 629 O LYS A 86 -59.059 -40.412 -5.118 1.00 9.49 O ATOM 630 CB LYS A 86 -60.337 -41.486 -7.889 1.00 10.13 C ATOM 631 CG LYS A 86 -60.306 -41.210 -9.389 1.00 11.42 C ATOM 632 CD LYS A 86 -61.704 -41.134 -9.988 1.00 14.16 C ATOM 633 CE LYS A 86 -61.649 -40.866 -11.483 1.00 20.74 C ATOM 634 NZ LYS A 86 -63.007 -40.815 -12.096 1.00 25.95 N ATOM 635 HZ1 LYS A 86 -63.487 -41.725 -11.948 1.00 0.00 H ATOM 636 HZ2 LYS A 86 -63.559 -40.054 -11.651 1.00 0.00 H ATOM 637 HZ3 LYS A 86 -62.919 -40.630 -13.116 1.00 0.00 H ATOM 638 H LYS A 86 -58.679 -43.400 -8.307 1.00 0.00 H ATOM 639 N ALA A 87 -59.202 -42.664 -5.082 1.00 9.07 N ATOM 640 CA ALA A 87 -59.314 -42.690 -3.630 1.00 9.03 C ATOM 641 C ALA A 87 -58.034 -42.195 -2.963 1.00 8.02 C ATOM 642 O ALA A 87 -58.097 -41.519 -1.928 1.00 9.33 O ATOM 643 CB ALA A 87 -59.689 -44.089 -3.144 1.00 10.37 C ATOM 644 H ALA A 87 -59.213 -43.553 -5.622 1.00 0.00 H ATOM 645 N ASP A 88 -56.863 -42.538 -3.514 1.00 8.63 N ATOM 646 CA ASP A 88 -55.618 -42.016 -2.957 1.00 8.70 C ATOM 647 C ASP A 88 -55.503 -40.514 -3.185 1.00 8.40 C ATOM 648 O ASP A 88 -55.025 -39.786 -2.307 1.00 9.01 O ATOM 649 CB ASP A 88 -54.399 -42.750 -3.529 1.00 9.61 C ATOM 650 CG ASP A 88 -53.879 -43.866 -2.615 1.00 9.98 C ATOM 651 OD1 ASP A 88 -54.386 -44.043 -1.480 1.00 11.44 O ATOM 652 OD2 ASP A 88 -52.909 -44.548 -3.034 1.00 11.03 O ATOM 653 H ASP A 88 -56.840 -43.174 -4.336 1.00 0.00 H ATOM 654 N PHE A 89 -55.926 -40.027 -4.356 1.00 8.51 N ATOM 655 CA PHE A 89 -55.925 -38.589 -4.590 1.00 8.76 C ATOM 656 C PHE A 89 -56.801 -37.871 -3.568 1.00 8.62 C ATOM 657 O PHE A 89 -56.398 -36.856 -2.977 1.00 8.91 O ATOM 658 CB PHE A 89 -56.381 -38.291 -6.022 1.00 8.95 C ATOM 659 CG PHE A 89 -56.504 -36.825 -6.320 1.00 9.18 C ATOM 660 CD1 PHE A 89 -55.397 -35.999 -6.237 1.00 10.22 C ATOM 661 CD2 PHE A 89 -57.731 -36.267 -6.668 1.00 10.05 C ATOM 662 CE1 PHE A 89 -55.502 -34.644 -6.494 1.00 10.95 C ATOM 663 CE2 PHE A 89 -57.845 -34.913 -6.934 1.00 9.95 C ATOM 664 CZ PHE A 89 -56.727 -34.098 -6.847 1.00 11.61 C ATOM 665 H PHE A 89 -56.256 -40.675 -5.100 1.00 0.00 H ATOM 666 N LYS A 90 -58.011 -38.386 -3.340 1.00 8.42 N ATOM 667 CA LYS A 90 -58.906 -37.775 -2.365 1.00 8.92 C ATOM 668 C LYS A 90 -58.333 -37.850 -0.953 1.00 8.56 C ATOM 669 O LYS A 90 -58.460 -36.897 -0.173 1.00 9.77 O ATOM 670 CB LYS A 90 -60.298 -38.410 -2.437 1.00 9.93 C ATOM 671 CG LYS A 90 -61.299 -37.767 -1.484 1.00 9.98 C ATOM 672 CD LYS A 90 -62.736 -38.133 -1.814 1.00 11.18 C ATOM 673 CE LYS A 90 -63.721 -37.405 -0.907 1.00 10.77 C ATOM 674 NZ LYS A 90 -63.605 -37.817 0.525 1.00 10.78 N ATOM 675 HZ1 LYS A 90 -63.791 -38.837 0.607 1.00 0.00 H ATOM 676 HZ2 LYS A 90 -62.645 -37.610 0.867 1.00 0.00 H ATOM 677 HZ3 LYS A 90 -64.298 -37.290 1.093 1.00 0.00 H ATOM 678 H LYS A 90 -58.318 -39.231 -3.863 1.00 0.00 H ATOM 679 N LEU A 91 -57.715 -38.979 -0.599 1.00 9.08 N ATOM 680 CA LEU A 91 -57.071 -39.110 0.706 1.00 9.60 C ATOM 681 C LEU A 91 -56.039 -38.008 0.915 1.00 9.63 C ATOM 682 O LEU A 91 -55.980 -37.383 1.981 1.00 9.57 O ATOM 683 CB LEU A 91 -56.427 -40.495 0.806 1.00 9.29 C ATOM 684 CG LEU A 91 -55.534 -40.779 2.014 1.00 10.15 C ATOM 685 CD1 LEU A 91 -56.330 -40.654 3.307 1.00 11.26 C ATOM 686 CD2 LEU A 91 -54.912 -42.162 1.907 1.00 11.07 C ATOM 687 H LEU A 91 -57.692 -39.779 -1.263 1.00 0.00 H ATOM 688 N MET A 92 -55.201 -37.780 -0.091 1.00 9.27 N ATOM 689 CA MET A 92 -54.196 -36.726 -0.017 1.00 9.68 C ATOM 690 C MET A 92 -54.834 -35.367 0.281 1.00 9.09 C ATOM 691 O MET A 92 -54.344 -34.602 1.122 1.00 9.13 O ATOM 692 CB MET A 92 -53.446 -36.692 -1.346 1.00 9.99 C ATOM 693 CG MET A 92 -52.305 -35.707 -1.423 1.00 10.68 C ATOM 694 SD MET A 92 -51.598 -35.625 -3.081 1.00 10.63 S ATOM 695 CE MET A 92 -52.864 -34.660 -3.913 1.00 11.73 C ATOM 696 H MET A 92 -55.263 -38.365 -0.948 1.00 0.00 H ATOM 697 N CYS A 93 -55.928 -35.046 -0.414 1.00 9.24 N ATOM 698 CA CYS A 93 -56.585 -33.753 -0.215 1.00 9.44 C ATOM 699 C CYS A 93 -57.298 -33.687 1.135 1.00 8.93 C ATOM 700 O CYS A 93 -57.252 -32.654 1.826 1.00 9.68 O ATOM 701 CB CYS A 93 -57.569 -33.496 -1.359 1.00 9.36 C ATOM 702 SG CYS A 93 -56.796 -33.334 -3.002 1.00 9.46 S ATOM 703 H CYS A 93 -56.317 -35.721 -1.103 1.00 0.00 H ATOM 704 N ASP A 94 -57.972 -34.779 1.520 1.00 9.20 N ATOM 705 CA ASP A 94 -58.652 -34.819 2.813 1.00 9.90 C ATOM 706 C ASP A 94 -57.664 -34.660 3.968 1.00 9.41 C ATOM 707 O ASP A 94 -57.958 -33.976 4.958 1.00 9.96 O ATOM 708 CB ASP A 94 -59.442 -36.124 2.956 1.00 10.56 C ATOM 709 CG ASP A 94 -60.711 -36.159 2.099 1.00 9.99 C ATOM 710 OD1 ASP A 94 -61.131 -35.102 1.581 1.00 13.70 O ATOM 711 OD2 ASP A 94 -61.281 -37.261 1.952 1.00 11.58 O ATOM 712 H ASP A 94 -58.012 -35.607 0.892 1.00 0.00 H ATOM 713 N ASN A 95 -56.488 -35.290 3.869 1.00 9.65 N ATOM 714 CA ASN A 95 -55.484 -35.116 4.919 1.00 9.90 C ATOM 715 C ASN A 95 -55.127 -33.645 5.080 1.00 9.38 C ATOM 716 O ASN A 95 -54.982 -33.149 6.205 1.00 9.94 O ATOM 717 CB ASN A 95 -54.211 -35.904 4.590 1.00 9.79 C ATOM 718 CG ASN A 95 -54.369 -37.408 4.731 1.00 9.82 C ATOM 719 OD1 ASN A 95 -55.272 -37.899 5.407 1.00 10.97 O ATOM 720 ND2 ASN A 95 -53.457 -38.150 4.100 1.00 10.43 N ATOM 721 HD22 ASN A 95 -52.711 -37.691 3.539 1.00 0.00 H ATOM 722 HD21 ASN A 95 -53.492 -39.187 4.169 1.00 0.00 H ATOM 723 H ASN A 95 -56.289 -35.900 3.051 1.00 0.00 H ATOM 724 N ALA A 96 -54.971 -32.936 3.957 1.00 9.70 N ATOM 725 CA ALA A 96 -54.605 -31.528 4.013 1.00 9.42 C ATOM 726 C ALA A 96 -55.709 -30.683 4.633 1.00 9.95 C ATOM 727 O ALA A 96 -55.418 -29.696 5.321 1.00 11.42 O ATOM 728 CB ALA A 96 -54.269 -31.017 2.614 1.00 9.72 C ATOM 729 H ALA A 96 -55.113 -33.395 3.035 1.00 0.00 H ATOM 730 N MET A 97 -56.971 -31.032 4.391 1.00 9.74 N ATOM 731 CA MET A 97 -58.085 -30.306 4.983 1.00 10.04 C ATOM 732 C MET A 97 -58.346 -30.696 6.429 1.00 10.24 C ATOM 733 O MET A 97 -59.109 -30.004 7.108 1.00 15.08 O ATOM 734 CB MET A 97 -59.350 -30.437 4.123 1.00 10.12 C ATOM 735 CG MET A 97 -59.189 -29.800 2.750 1.00 10.49 C ATOM 736 SD MET A 97 -60.686 -29.754 1.752 1.00 11.49 S ATOM 737 CE MET A 97 -60.985 -31.504 1.507 1.00 14.52 C ATOM 738 H MET A 97 -57.165 -31.840 3.766 1.00 0.00 H ATOM 739 N THR A 98 -57.740 -31.772 6.918 1.00 10.54 N ATOM 740 CA THR A 98 -57.811 -32.147 8.325 1.00 11.97 C ATOM 741 C THR A 98 -56.685 -31.515 9.134 1.00 11.24 C ATOM 742 O THR A 98 -56.920 -30.982 10.221 1.00 13.65 O ATOM 743 CB THR A 98 -57.751 -33.673 8.453 1.00 13.67 C ATOM 744 OG1 THR A 98 -58.943 -34.241 7.895 1.00 19.03 O ATOM 745 CG2 THR A 98 -57.608 -34.099 9.914 1.00 15.85 C ATOM 746 HG1 THR A 98 -58.907 -35.227 7.976 1.00 0.00 H ATOM 747 H THR A 98 -57.192 -32.372 6.270 1.00 0.00 H ATOM 748 N TYR A 99 -55.457 -31.571 8.619 1.00 10.87 N ATOM 749 CA TYR A 99 -54.314 -31.090 9.387 1.00 11.70 C ATOM 750 C TYR A 99 -54.252 -29.566 9.423 1.00 10.26 C ATOM 751 O TYR A 99 -53.919 -28.978 10.458 1.00 12.16 O ATOM 752 CB TYR A 99 -53.010 -31.652 8.818 1.00 12.37 C ATOM 753 CG TYR A 99 -51.810 -31.096 9.547 1.00 11.85 C ATOM 754 CD1 TYR A 99 -51.410 -31.626 10.766 1.00 12.69 C ATOM 755 CD2 TYR A 99 -51.103 -30.012 9.042 1.00 13.11 C ATOM 756 CE1 TYR A 99 -50.322 -31.107 11.455 1.00 13.73 C ATOM 757 CE2 TYR A 99 -50.015 -29.483 9.725 1.00 13.97 C ATOM 758 CZ TYR A 99 -49.629 -30.035 10.928 1.00 12.79 C ATOM 759 OH TYR A 99 -48.549 -29.508 11.603 1.00 14.95 O ATOM 760 HH TYR A 99 -48.406 -30.015 12.441 1.00 0.00 H ATOM 761 H TYR A 99 -55.313 -31.959 7.665 1.00 0.00 H ATOM 762 N ASN A 100 -54.526 -28.915 8.295 1.00 10.53 N ATOM 763 CA ASN A 100 -54.394 -27.471 8.161 1.00 10.40 C ATOM 764 C ASN A 100 -55.723 -26.771 8.427 1.00 11.78 C ATOM 765 O ASN A 100 -56.795 -27.311 8.149 1.00 12.75 O ATOM 766 CB ASN A 100 -53.934 -27.115 6.743 1.00 10.82 C ATOM 767 CG ASN A 100 -52.621 -27.772 6.373 1.00 10.61 C ATOM 768 OD1 ASN A 100 -51.553 -27.363 6.835 1.00 11.13 O ATOM 769 ND2 ASN A 100 -52.691 -28.803 5.533 1.00 10.71 N ATOM 770 HD22 ASN A 100 -53.614 -29.114 5.168 1.00 0.00 H ATOM 771 HD21 ASN A 100 -51.823 -29.297 5.242 1.00 0.00 H ATOM 772 H ASN A 100 -54.849 -29.462 7.472 1.00 0.00 H ATOM 773 N ARG A 101 -55.641 -25.526 8.952 1.00 12.65 N ATOM 774 CA ARG A 101 -56.821 -24.699 9.162 1.00 13.05 C ATOM 775 C ARG A 101 -57.336 -24.144 7.831 1.00 12.25 C ATOM 776 O ARG A 101 -56.570 -23.988 6.878 1.00 12.35 O ATOM 777 CB ARG A 101 -56.488 -23.530 10.085 1.00 15.65 C ATOM 778 CG ARG A 101 -56.072 -23.928 11.493 1.00 18.94 C ATOM 779 CD ARG A 101 -55.707 -22.699 12.315 1.00 33.07 C ATOM 780 NE ARG A 101 -55.278 -23.050 13.666 1.00 41.70 N ATOM 781 CZ ARG A 101 -56.101 -23.168 14.703 1.00 46.80 C ATOM 782 NH1 ARG A 101 -57.401 -22.961 14.547 1.00 49.69 N ATOM 783 NH2 ARG A 101 -55.623 -23.492 15.896 1.00 47.20 N ATOM 784 HE ARG A 101 -54.264 -23.218 13.827 1.00 0.00 H ATOM 785 HH12 ARG A 101 -58.044 -23.054 15.360 1.00 0.00 H ATOM 786 HH11 ARG A 101 -57.778 -22.706 13.612 1.00 0.00 H ATOM 787 HH22 ARG A 101 -56.268 -23.584 16.707 1.00 0.00 H ATOM 788 HH21 ARG A 101 -54.603 -23.654 16.021 1.00 0.00 H ATOM 789 H ARG A 101 -54.708 -25.149 9.213 1.00 0.00 H ATOM 790 N PRO A 102 -58.635 -23.833 7.747 1.00 13.07 N ATOM 791 CA PRO A 102 -59.197 -23.364 6.466 1.00 13.35 C ATOM 792 C PRO A 102 -58.532 -22.127 5.879 1.00 12.53 C ATOM 793 O PRO A 102 -58.502 -21.990 4.650 1.00 15.32 O ATOM 794 CB PRO A 102 -60.676 -23.122 6.800 1.00 14.74 C ATOM 795 CG PRO A 102 -60.951 -24.083 7.916 1.00 16.40 C ATOM 796 CD PRO A 102 -59.686 -24.113 8.740 1.00 14.77 C ATOM 797 N ASP A 103 -57.993 -21.225 6.695 1.00 13.67 N ATOM 798 CA ASP A 103 -57.442 -19.983 6.157 1.00 14.40 C ATOM 799 C ASP A 103 -56.000 -20.104 5.664 1.00 17.57 C ATOM 800 O ASP A 103 -55.353 -19.074 5.450 1.00 27.37 O ATOM 801 CB ASP A 103 -57.589 -18.830 7.162 1.00 17.71 C ATOM 802 CG ASP A 103 -56.757 -19.030 8.413 1.00 27.23 C ATOM 803 OD1 ASP A 103 -56.112 -20.090 8.548 1.00 30.51 O ATOM 804 OD2 ASP A 103 -56.748 -18.118 9.268 1.00 31.64 O ATOM 805 H ASP A 103 -57.964 -21.404 7.719 1.00 0.00 H ATOM 806 N THR A 104 -55.490 -21.312 5.449 1.00 12.58 N ATOM 807 CA THR A 104 -54.103 -21.510 5.052 1.00 11.97 C ATOM 808 C THR A 104 -53.991 -21.781 3.555 1.00 11.04 C ATOM 809 O THR A 104 -54.932 -22.243 2.903 1.00 11.78 O ATOM 810 CB THR A 104 -53.461 -22.667 5.830 1.00 13.03 C ATOM 811 OG1 THR A 104 -54.128 -23.897 5.515 1.00 12.06 O ATOM 812 CG2 THR A 104 -53.515 -22.421 7.332 1.00 15.15 C ATOM 813 HG1 THR A 104 -55.084 -23.826 5.764 1.00 0.00 H ATOM 814 H THR A 104 -56.102 -22.144 5.568 1.00 0.00 H ATOM 815 N VAL A 105 -52.799 -21.507 3.021 1.00 11.68 N ATOM 816 CA VAL A 105 -52.518 -21.794 1.618 1.00 11.14 C ATOM 817 C VAL A 105 -52.758 -23.270 1.320 1.00 10.28 C ATOM 818 O VAL A 105 -53.272 -23.633 0.252 1.00 10.88 O ATOM 819 CB VAL A 105 -51.069 -21.387 1.290 1.00 13.86 C ATOM 820 CG1 VAL A 105 -50.644 -21.925 -0.071 1.00 19.06 C ATOM 821 CG2 VAL A 105 -50.902 -19.878 1.362 1.00 18.90 C ATOM 822 H VAL A 105 -52.058 -21.082 3.614 1.00 0.00 H ATOM 823 N TYR A 106 -52.365 -24.144 2.252 1.00 10.47 N ATOM 824 CA TYR A 106 -52.378 -25.584 2.016 1.00 10.53 C ATOM 825 C TYR A 106 -53.798 -26.133 1.991 1.00 10.30 C ATOM 826 O TYR A 106 -54.143 -26.947 1.122 1.00 10.43 O ATOM 827 CB TYR A 106 -51.504 -26.272 3.069 1.00 11.00 C ATOM 828 CG TYR A 106 -50.158 -25.598 3.148 1.00 11.06 C ATOM 829 CD1 TYR A 106 -49.260 -25.703 2.100 1.00 11.20 C ATOM 830 CD2 TYR A 106 -49.813 -24.794 4.231 1.00 12.49 C ATOM 831 CE1 TYR A 106 -48.042 -25.061 2.133 1.00 13.41 C ATOM 832 CE2 TYR A 106 -48.591 -24.146 4.270 1.00 13.51 C ATOM 833 CZ TYR A 106 -47.710 -24.286 3.217 1.00 13.35 C ATOM 834 OH TYR A 106 -46.486 -23.656 3.237 1.00 16.61 O ATOM 835 HH TYR A 106 -46.621 -22.677 3.301 1.00 0.00 H ATOM 836 H TYR A 106 -52.040 -23.787 3.173 1.00 0.00 H ATOM 837 N TYR A 107 -54.639 -25.696 2.929 1.00 10.10 N ATOM 838 CA TYR A 107 -56.046 -26.076 2.904 1.00 10.35 C ATOM 839 C TYR A 107 -56.705 -25.609 1.615 1.00 9.48 C ATOM 840 O TYR A 107 -57.422 -26.370 0.954 1.00 10.21 O ATOM 841 CB TYR A 107 -56.755 -25.465 4.115 1.00 10.57 C ATOM 842 CG TYR A 107 -58.186 -25.917 4.322 1.00 10.78 C ATOM 843 CD1 TYR A 107 -59.216 -25.477 3.486 1.00 11.51 C ATOM 844 CD2 TYR A 107 -58.513 -26.753 5.383 1.00 11.51 C ATOM 845 CE1 TYR A 107 -60.528 -25.875 3.701 1.00 12.74 C ATOM 846 CE2 TYR A 107 -59.813 -27.155 5.598 1.00 12.37 C ATOM 847 CZ TYR A 107 -60.814 -26.722 4.755 1.00 12.62 C ATOM 848 OH TYR A 107 -62.110 -27.130 4.984 1.00 15.87 O ATOM 849 HH TYR A 107 -62.157 -28.118 4.936 1.00 0.00 H ATOM 850 H TYR A 107 -54.287 -25.077 3.687 1.00 0.00 H ATOM 851 N LYS A 108 -56.490 -24.342 1.255 1.00 10.20 N ATOM 852 CA LYS A 108 -57.152 -23.782 0.083 1.00 10.71 C ATOM 853 C LYS A 108 -56.778 -24.547 -1.180 1.00 10.04 C ATOM 854 O LYS A 108 -57.645 -24.847 -2.010 1.00 10.15 O ATOM 855 CB LYS A 108 -56.830 -22.290 -0.041 1.00 10.64 C ATOM 856 CG LYS A 108 -57.473 -21.440 1.057 1.00 12.39 C ATOM 857 CD LYS A 108 -56.950 -20.010 1.087 1.00 12.77 C ATOM 858 CE LYS A 108 -57.543 -19.253 2.269 1.00 15.32 C ATOM 859 NZ LYS A 108 -56.932 -17.908 2.473 1.00 16.94 N ATOM 860 HZ1 LYS A 108 -55.912 -18.015 2.648 1.00 0.00 H ATOM 861 HZ2 LYS A 108 -57.080 -17.329 1.622 1.00 0.00 H ATOM 862 HZ3 LYS A 108 -57.379 -17.446 3.291 1.00 0.00 H ATOM 863 H LYS A 108 -55.845 -23.749 1.815 1.00 0.00 H ATOM 864 N LEU A 109 -55.498 -24.880 -1.347 1.00 9.57 N ATOM 865 CA LEU A 109 -55.104 -25.623 -2.541 1.00 9.51 C ATOM 866 C LEU A 109 -55.716 -27.017 -2.551 1.00 9.09 C ATOM 867 O LEU A 109 -56.157 -27.499 -3.601 1.00 9.80 O ATOM 868 CB LEU A 109 -53.584 -25.702 -2.671 1.00 9.83 C ATOM 869 CG LEU A 109 -53.094 -26.379 -3.958 1.00 10.21 C ATOM 870 CD1 LEU A 109 -53.512 -25.597 -5.199 1.00 11.78 C ATOM 871 CD2 LEU A 109 -51.595 -26.579 -3.931 1.00 11.66 C ATOM 872 H LEU A 109 -54.788 -24.614 -0.635 1.00 0.00 H ATOM 873 N ALA A 110 -55.748 -27.681 -1.395 1.00 9.26 N ATOM 874 CA ALA A 110 -56.326 -29.019 -1.332 1.00 9.10 C ATOM 875 C ALA A 110 -57.784 -29.022 -1.778 1.00 9.31 C ATOM 876 O ALA A 110 -58.207 -29.897 -2.543 1.00 9.81 O ATOM 877 CB ALA A 110 -56.200 -29.571 0.085 1.00 9.98 C ATOM 878 H ALA A 110 -55.360 -27.243 -0.535 1.00 0.00 H ATOM 879 N LYS A 111 -58.573 -28.053 -1.308 1.00 9.90 N ATOM 880 CA LYS A 111 -59.976 -27.990 -1.710 1.00 9.98 C ATOM 881 C LYS A 111 -60.101 -27.706 -3.200 1.00 9.58 C ATOM 882 O LYS A 111 -60.902 -28.341 -3.905 1.00 10.55 O ATOM 883 CB LYS A 111 -60.694 -26.914 -0.890 1.00 10.58 C ATOM 884 CG LYS A 111 -62.181 -26.810 -1.157 1.00 11.81 C ATOM 885 CD LYS A 111 -62.845 -25.760 -0.269 1.00 12.52 C ATOM 886 CE LYS A 111 -64.332 -25.660 -0.551 1.00 13.48 C ATOM 887 NZ LYS A 111 -64.989 -24.647 0.315 1.00 15.32 N ATOM 888 HZ1 LYS A 111 -64.862 -24.911 1.313 1.00 0.00 H ATOM 889 HZ2 LYS A 111 -64.560 -23.715 0.144 1.00 0.00 H ATOM 890 HZ3 LYS A 111 -66.004 -24.608 0.092 1.00 0.00 H ATOM 891 H LYS A 111 -58.188 -27.342 -0.654 1.00 0.00 H ATOM 892 N LYS A 112 -59.318 -26.745 -3.694 1.00 9.95 N ATOM 893 CA LYS A 112 -59.363 -26.392 -5.109 1.00 9.69 C ATOM 894 C LYS A 112 -59.003 -27.583 -5.996 1.00 9.71 C ATOM 895 O LYS A 112 -59.723 -27.903 -6.953 1.00 10.38 O ATOM 896 CB LYS A 112 -58.426 -25.210 -5.363 1.00 10.41 C ATOM 897 CG LYS A 112 -58.285 -24.817 -6.813 1.00 10.90 C ATOM 898 CD LYS A 112 -57.425 -23.566 -6.942 1.00 11.78 C ATOM 899 CE LYS A 112 -57.171 -23.210 -8.393 1.00 12.94 C ATOM 900 NZ LYS A 112 -56.464 -21.903 -8.520 1.00 14.54 N ATOM 901 HZ1 LYS A 112 -57.045 -21.153 -8.094 1.00 0.00 H ATOM 902 HZ2 LYS A 112 -55.549 -21.956 -8.029 1.00 0.00 H ATOM 903 HZ3 LYS A 112 -56.307 -21.692 -9.526 1.00 0.00 H ATOM 904 H LYS A 112 -58.666 -26.240 -3.061 1.00 0.00 H ATOM 905 N ILE A 113 -57.879 -28.245 -5.699 1.00 9.42 N ATOM 906 CA ILE A 113 -57.384 -29.322 -6.560 1.00 10.02 C ATOM 907 C ILE A 113 -58.264 -30.565 -6.456 1.00 9.61 C ATOM 908 O ILE A 113 -58.422 -31.301 -7.438 1.00 9.75 O ATOM 909 CB ILE A 113 -55.895 -29.606 -6.246 1.00 11.58 C ATOM 910 CG1 ILE A 113 -55.151 -30.202 -7.439 1.00 14.07 C ATOM 911 CG2 ILE A 113 -55.738 -30.509 -5.032 1.00 13.60 C ATOM 912 CD1 ILE A 113 -53.655 -30.359 -7.191 1.00 15.10 C ATOM 913 H ILE A 113 -57.347 -27.991 -4.842 1.00 0.00 H ATOM 914 N LEU A 114 -58.852 -30.820 -5.282 1.00 9.82 N ATOM 915 CA LEU A 114 -59.755 -31.964 -5.148 1.00 10.30 C ATOM 916 C LEU A 114 -60.913 -31.850 -6.128 1.00 8.87 C ATOM 917 O LEU A 114 -61.209 -32.785 -6.883 1.00 9.94 O ATOM 918 CB LEU A 114 -60.291 -32.037 -3.718 1.00 9.62 C ATOM 919 CG LEU A 114 -61.371 -33.094 -3.465 1.00 10.39 C ATOM 920 CD1 LEU A 114 -60.841 -34.500 -3.734 1.00 12.23 C ATOM 921 CD2 LEU A 114 -61.928 -32.993 -2.051 1.00 13.41 C ATOM 922 H LEU A 114 -58.667 -30.205 -4.464 1.00 0.00 H ATOM 923 N HIS A 115 -61.569 -30.692 -6.144 1.00 9.33 N ATOM 924 CA HIS A 115 -62.726 -30.517 -7.009 1.00 9.83 C ATOM 925 C HIS A 115 -62.312 -30.484 -8.473 1.00 10.58 C ATOM 926 O HIS A 115 -62.940 -31.127 -9.321 1.00 11.20 O ATOM 927 CB HIS A 115 -63.464 -29.241 -6.605 1.00 11.04 C ATOM 928 CG HIS A 115 -64.315 -29.404 -5.380 1.00 10.16 C ATOM 929 ND1 HIS A 115 -63.827 -29.326 -4.092 1.00 13.37 N ATOM 930 CD2 HIS A 115 -65.638 -29.661 -5.264 1.00 10.12 C ATOM 931 CE1 HIS A 115 -64.821 -29.508 -3.237 1.00 11.08 C ATOM 932 NE2 HIS A 115 -65.927 -29.723 -3.924 1.00 14.73 N ATOM 933 H HIS A 115 -61.254 -29.909 -5.536 1.00 0.00 H ATOM 934 N ALA A 116 -61.247 -29.741 -8.792 1.00 10.63 N ATOM 935 CA ALA A 116 -60.827 -29.642 -10.185 1.00 11.57 C ATOM 936 C ALA A 116 -60.303 -30.977 -10.694 1.00 11.02 C ATOM 937 O ALA A 116 -60.501 -31.321 -11.865 1.00 11.96 O ATOM 938 CB ALA A 116 -59.763 -28.555 -10.346 1.00 13.11 C ATOM 939 H ALA A 116 -60.721 -29.236 -8.050 1.00 0.00 H ATOM 940 N GLY A 117 -59.619 -31.731 -9.829 1.00 11.07 N ATOM 941 CA GLY A 117 -59.053 -33.005 -10.247 1.00 12.22 C ATOM 942 C GLY A 117 -60.106 -34.057 -10.534 1.00 10.83 C ATOM 943 O GLY A 117 -60.014 -34.779 -11.533 1.00 11.99 O ATOM 944 H GLY A 117 -59.490 -31.405 -8.850 1.00 0.00 H ATOM 945 N PHE A 118 -61.129 -34.152 -9.681 1.00 10.82 N ATOM 946 CA PHE A 118 -62.221 -35.074 -9.974 1.00 11.56 C ATOM 947 C PHE A 118 -62.938 -34.692 -11.267 1.00 12.10 C ATOM 948 O PHE A 118 -63.276 -35.564 -12.076 1.00 13.48 O ATOM 949 CB PHE A 118 -63.179 -35.183 -8.782 1.00 12.40 C ATOM 950 CG PHE A 118 -62.838 -36.307 -7.839 1.00 11.06 C ATOM 951 CD1 PHE A 118 -61.764 -36.203 -6.973 1.00 13.15 C ATOM 952 CD2 PHE A 118 -63.579 -37.477 -7.830 1.00 13.47 C ATOM 953 CE1 PHE A 118 -61.439 -37.248 -6.110 1.00 12.88 C ATOM 954 CE2 PHE A 118 -63.262 -38.525 -6.970 1.00 14.51 C ATOM 955 CZ PHE A 118 -62.186 -38.410 -6.108 1.00 12.01 C ATOM 956 H PHE A 118 -61.147 -33.574 -8.816 1.00 0.00 H ATOM 957 N LYS A 119 -63.150 -33.396 -11.500 1.00 11.81 N ATOM 958 CA LYS A 119 -63.772 -32.980 -12.755 1.00 14.73 C ATOM 959 C LYS A 119 -62.916 -33.374 -13.952 1.00 13.42 C ATOM 960 O LYS A 119 -63.434 -33.860 -14.965 1.00 15.54 O ATOM 961 CB LYS A 119 -64.013 -31.473 -12.754 1.00 14.94 C ATOM 962 CG LYS A 119 -65.183 -31.024 -11.913 1.00 17.84 C ATOM 963 CD LYS A 119 -65.302 -29.515 -11.978 1.00 21.23 C ATOM 964 CE LYS A 119 -66.433 -29.002 -11.112 1.00 26.59 C ATOM 965 NZ LYS A 119 -66.498 -27.513 -11.157 1.00 30.12 N ATOM 966 HZ1 LYS A 119 -65.601 -27.117 -10.809 1.00 0.00 H ATOM 967 HZ2 LYS A 119 -66.657 -27.204 -12.137 1.00 0.00 H ATOM 968 HZ3 LYS A 119 -67.280 -27.183 -10.556 1.00 0.00 H ATOM 969 H LYS A 119 -62.874 -32.686 -10.792 1.00 0.00 H ATOM 970 N MET A 120 -61.601 -33.164 -13.857 1.00 14.63 N ATOM 971 CA MET A 120 -60.713 -33.495 -14.966 1.00 15.24 C ATOM 972 C MET A 120 -60.760 -34.982 -15.284 1.00 14.18 C ATOM 973 O MET A 120 -60.736 -35.376 -16.457 1.00 16.55 O ATOM 974 CB MET A 120 -59.284 -33.057 -14.636 1.00 15.57 C ATOM 975 CG MET A 120 -58.248 -33.409 -15.699 1.00 18.20 C ATOM 976 SD MET A 120 -57.536 -35.062 -15.524 1.00 19.21 S ATOM 977 CE MET A 120 -56.591 -34.872 -14.024 1.00 18.39 C ATOM 978 H MET A 120 -61.206 -32.760 -12.984 1.00 0.00 H ATOM 979 N MET A 121 -60.827 -35.825 -14.257 1.00 14.31 N ATOM 980 CA MET A 121 -60.806 -37.267 -14.457 1.00 15.33 C ATOM 981 C MET A 121 -62.147 -37.827 -14.917 1.00 18.18 C ATOM 982 O MET A 121 -62.208 -38.999 -15.307 1.00 24.52 O ATOM 983 CB MET A 121 -60.314 -37.976 -13.188 1.00 15.38 C ATOM 984 CG MET A 121 -58.829 -37.741 -12.898 1.00 13.96 C ATOM 985 SD MET A 121 -58.141 -38.635 -11.483 1.00 14.08 S ATOM 986 CE MET A 121 -58.783 -37.662 -10.129 1.00 14.66 C ATOM 987 H MET A 121 -60.896 -35.446 -13.291 1.00 0.00 H ATOM 988 N SER A 122 -63.211 -37.026 -14.897 1.00 16.95 N ATOM 989 CA SER A 122 -64.528 -37.480 -15.331 1.00 22.64 C ATOM 990 C SER A 122 -64.865 -37.105 -16.768 1.00 30.46 C ATOM 991 O SER A 122 -65.646 -37.813 -17.412 1.00 34.05 O ATOM 992 CB SER A 122 -65.617 -36.923 -14.408 1.00 28.50 C ATOM 993 OG SER A 122 -65.507 -37.466 -13.104 1.00 32.84 O ATOM 994 HG SER A 122 -64.622 -37.235 -12.725 1.00 0.00 H ATOM 995 H SER A 122 -63.100 -36.048 -14.562 1.00 0.00 H ATOM 996 N LYS A 123 -64.305 -36.017 -17.286 1.00 35.16 N ATOM 997 CA LYS A 123 -64.710 -35.492 -18.589 1.00 41.68 C ATOM 998 C LYS A 123 -64.158 -36.302 -19.762 1.00 44.39 C ATOM 999 O LYS A 123 -63.321 -37.187 -19.586 1.00 45.48 O ATOM 1000 CB LYS A 123 -64.296 -34.025 -18.721 1.00 43.59 C ATOM 1001 CG LYS A 123 -62.799 -33.798 -18.631 1.00 43.99 C ATOM 1002 CD LYS A 123 -62.463 -32.318 -18.576 1.00 44.59 C ATOM 1003 CE LYS A 123 -60.961 -32.105 -18.498 1.00 45.97 C ATOM 1004 NZ LYS A 123 -60.613 -30.710 -18.111 1.00 46.99 N ATOM 1005 HZ1 LYS A 123 -60.998 -30.050 -18.816 1.00 0.00 H ATOM 1006 HZ2 LYS A 123 -61.020 -30.499 -17.177 1.00 0.00 H ATOM 1007 HZ3 LYS A 123 -59.579 -30.611 -18.070 1.00 0.00 H ATOM 1008 H LYS A 123 -63.560 -35.527 -16.751 1.00 0.00 H TER 1009 LYS A 123 HETATM 1010 O HOH 1 -63.830 -38.112 -11.553 1.00 27.58 O HETATM 1011 O HOH 2 -66.402 -37.394 -10.761 1.00 25.43 O HETATM 1012 O HOH 3 -43.238 -41.997 -0.873 1.00 16.20 O HETATM 1013 O HOH 4 -59.268 -36.771 7.657 1.00 24.77 O HETATM 1014 O HOH 5 -51.689 -32.658 4.394 1.00 10.16 O HETATM 1015 O HOH 6 -45.202 -37.840 -8.816 1.00 16.78 O HETATM 1016 O HOH 7 -52.557 -51.618 -3.225 1.00 22.61 O HETATM 1017 O HOH 8 -47.401 -39.325 2.074 1.00 11.26 O HETATM 1018 O HOH 9 -48.424 -55.461 -2.912 1.00 16.57 O HETATM 1019 O HOH 10 -47.192 -39.339 -14.214 1.00 16.61 O HETATM 1020 O HOH 11 -39.429 -42.893 -7.578 1.00 19.45 O HETATM 1021 O HOH 12 -48.130 -25.929 -13.526 1.00 24.68 O HETATM 1022 O HOH 13 -62.770 -47.982 -11.566 1.00 18.61 O HETATM 1023 O HOH 14 -57.645 -16.354 0.383 1.00 22.07 O HETATM 1024 O HOH 15 -47.007 -53.714 -15.502 1.00 30.37 O HETATM 1025 O HOH 16 -61.960 -51.201 -8.443 1.00 17.18 O HETATM 1026 O HOH 17 -60.217 -39.743 2.174 1.00 13.37 O HETATM 1027 O HOH 18 -45.966 -35.065 -12.753 1.00 28.34 O HETATM 1028 O HOH 19 -47.912 -54.573 -7.135 1.00 16.17 O HETATM 1029 O HOH 20 -42.461 -22.337 -5.128 1.00 16.14 O HETATM 1030 O HOH 21 -56.573 -53.796 -13.645 1.00 28.69 O HETATM 1031 O HOH 22 -60.584 -21.934 2.902 1.00 18.39 O HETATM 1032 O HOH 23 -59.930 -23.370 -2.119 1.00 12.40 O HETATM 1033 O HOH 24 -54.265 -25.240 -9.039 1.00 16.90 O HETATM 1034 O HOH 25 -48.749 -25.324 -5.749 1.00 10.81 O HETATM 1035 O HOH 26 -48.999 -41.529 10.426 1.00 21.77 O HETATM 1036 O HOH 27 -50.697 -36.672 3.527 1.00 10.38 O HETATM 1037 O HOH 28 -49.176 -42.214 -20.068 1.00 17.51 O HETATM 1038 O HOH 29 -58.936 -54.020 -7.513 1.00 17.39 O HETATM 1039 O HOH 30 -42.961 -44.335 -2.215 1.00 15.24 O HETATM 1040 O HOH 31 -53.953 -29.866 -15.368 1.00 23.49 O HETATM 1041 O HOH 32 -41.889 -24.653 -3.754 1.00 29.70 O HETATM 1042 O HOH 33 -47.152 -33.327 0.488 1.00 10.20 O HETATM 1043 O HOH 34 -53.451 -46.084 0.085 1.00 17.27 O HETATM 1044 O HOH 35 -45.811 -52.490 -3.985 1.00 14.47 O HETATM 1045 O HOH 36 -59.311 -52.472 -3.672 1.00 14.05 O HETATM 1046 O HOH 37 -52.672 -57.415 -11.127 1.00 28.59 O HETATM 1047 O HOH 38 -64.933 -25.969 2.715 1.00 17.11 O HETATM 1048 O HOH 39 -66.053 -45.750 -8.951 1.00 13.39 O HETATM 1049 O HOH 40 -43.517 -35.109 15.483 1.00 16.62 O HETATM 1050 O HOH 41 -63.745 -34.644 0.879 1.00 14.71 O HETATM 1051 O HOH 42 -44.665 -36.860 8.824 1.00 15.66 O HETATM 1052 O HOH 43 -50.885 -25.135 8.315 1.00 15.00 O HETATM 1053 O HOH 44 -46.605 -31.772 -7.091 1.00 16.77 O HETATM 1054 O HOH 45 -40.606 -36.371 2.281 1.00 11.19 O HETATM 1055 O HOH 46 -44.005 -50.509 -14.151 1.00 27.57 O HETATM 1056 O HOH 47 -45.743 -22.514 5.642 1.00 25.22 O HETATM 1057 O HOH 48 -56.920 -44.887 -0.755 1.00 13.16 O HETATM 1058 O HOH 49 -42.376 -48.011 -7.825 1.00 12.46 O HETATM 1059 O HOH 50 -44.438 -54.426 -8.986 1.00 16.92 O HETATM 1060 O HOH 51 -39.353 -44.795 -3.982 1.00 11.90 O HETATM 1061 O HOH 52 -51.577 -44.022 3.438 1.00 18.30 O HETATM 1062 O HOH 53 -64.502 -40.388 -0.098 1.00 16.22 O HETATM 1063 O HOH 54 -43.325 -32.456 15.347 1.00 13.36 O HETATM 1064 O HOH 55 -61.631 -26.138 -7.994 1.00 14.82 O HETATM 1065 O HOH 56 -61.191 -29.445 -13.826 1.00 19.33 O HETATM 1066 O HOH 57 -60.098 -41.540 0.034 1.00 11.37 O HETATM 1067 O HOH 58 -51.757 -34.225 2.132 1.00 10.56 O HETATM 1068 O HOH 59 -53.592 -22.032 -2.026 1.00 12.06 O HETATM 1069 O HOH 60 -38.279 -31.801 5.765 1.00 18.20 O HETATM 1070 O HOH 61 -62.437 -43.472 -5.624 1.00 12.25 O HETATM 1071 O HOH 62 -46.234 -25.714 9.384 1.00 19.84 O HETATM 1072 O HOH 63 -49.268 -26.894 12.321 1.00 31.91 O HETATM 1073 O HOH 64 -48.133 -43.346 2.625 1.00 19.31 O HETATM 1074 O HOH 65 -41.464 -30.557 14.234 1.00 16.67 O HETATM 1075 O HOH 66 -46.266 -37.816 5.662 1.00 12.60 O HETATM 1076 O HOH 67 -58.070 -37.771 5.613 1.00 17.53 O HETATM 1077 O HOH 68 -63.822 -24.903 4.965 1.00 18.11 O HETATM 1078 O HOH 69 -57.242 -46.643 -2.965 1.00 13.51 O HETATM 1079 O HOH 70 -46.967 -32.694 -14.293 1.00 19.81 O HETATM 1080 O HOH 71 -43.655 -35.670 -6.989 1.00 13.16 O HETATM 1081 O HOH 72 -42.820 -32.732 1.544 1.00 10.78 O HETATM 1082 O HOH 73 -49.602 -34.490 0.530 1.00 10.81 O HETATM 1083 O HOH 74 -49.361 -30.208 15.767 1.00 30.65 O HETATM 1084 O HOH 75 -62.120 -29.299 6.805 1.00 22.09 O HETATM 1085 O HOH 76 -42.296 -26.989 -8.197 1.00 21.68 O HETATM 1086 O HOH 77 -46.597 -42.127 -19.352 1.00 34.21 O HETATM 1087 O HOH 78 -41.431 -37.875 12.272 1.00 29.52 O HETATM 1088 O HOH 79 -59.166 -28.008 9.549 1.00 28.64 O HETATM 1089 O HOH 80 -55.384 -40.206 7.062 1.00 12.89 O HETATM 1090 O HOH 81 -63.732 -22.151 -0.267 1.00 18.05 O HETATM 1091 O HOH 82 -50.531 -36.142 -19.667 1.00 22.60 O HETATM 1092 O HOH 83 -42.481 -31.870 4.197 1.00 13.72 O HETATM 1093 O HOH 84 -57.831 -19.730 -7.259 1.00 14.31 O HETATM 1094 O HOH 85 -40.726 -41.162 -4.512 1.00 14.17 O HETATM 1095 O HOH 86 -50.940 -46.733 0.456 1.00 17.40 O HETATM 1096 O HOH 87 -56.914 -20.974 -11.205 1.00 30.78 O HETATM 1097 O HOH 88 -52.536 -26.798 11.729 1.00 27.20 O HETATM 1098 O HOH 89 -53.812 -30.342 12.994 1.00 24.18 O HETATM 1099 O HOH 90 -67.090 -29.923 -1.292 1.00 12.56 O HETATM 1100 O HOH 91 -46.696 -21.032 2.035 1.00 31.24 O HETATM 1101 O HOH 92 -46.163 -46.702 -15.338 1.00 26.51 O HETATM 1102 O HOH 93 -50.177 -56.177 -7.282 1.00 18.50 O HETATM 1103 O HOH 94 -44.259 -42.686 1.146 1.00 31.96 O HETATM 1104 O HOH 95 -43.951 -53.171 -11.423 1.00 27.24 O HETATM 1105 O HOH 96 -51.352 -39.033 -21.936 1.00 27.75 O HETATM 1106 O HOH 97 -55.980 -39.706 9.724 1.00 21.10 O HETATM 1107 O HOH 98 -46.117 -40.904 14.416 1.00 24.22 O HETATM 1108 O HOH 99 -54.069 -18.370 2.712 1.00 22.90 O HETATM 1109 O HOH 100 -53.015 -24.742 9.975 1.00 13.89 O HETATM 1110 O HOH 101 -49.950 -44.930 -23.823 1.00 26.60 O HETATM 1111 O HOH 102 -41.994 -40.391 -6.855 1.00 14.79 O HETATM 1112 O HOH 103 -41.152 -36.649 9.842 1.00 20.43 O HETATM 1113 O HOH 104 -62.551 -30.346 -15.944 1.00 34.50 O HETATM 1114 O HOH 105 -65.536 -31.852 -8.171 1.00 18.66 O HETATM 1115 O HOH 106 -44.070 -31.921 -0.769 1.00 10.81 O HETATM 1116 O HOH 107 -60.419 -48.676 -14.043 1.00 17.91 O HETATM 1117 O HOH 108 -43.032 -27.267 -1.771 1.00 14.44 O HETATM 1118 O HOH 109 -54.510 -50.091 -4.516 1.00 23.23 O HETATM 1119 O HOH 110 -50.882 -49.121 -10.861 1.00 17.03 O HETATM 1120 O HOH 111 -68.271 -38.500 -12.688 1.00 25.57 O HETATM 1121 O HOH 112 -62.484 -37.931 4.616 1.00 36.54 O HETATM 1122 O HOH 113 -47.715 -37.017 3.414 1.00 10.67 O HETATM 1123 O HOH 114 -39.002 -34.297 10.075 1.00 19.83 O HETATM 1124 O HOH 115 -61.281 -32.691 9.039 1.00 34.76 O HETATM 1125 O HOH 116 -54.739 -52.377 -18.009 1.00 22.94 O HETATM 1126 O HOH 117 -54.461 -21.640 -6.243 1.00 21.86 O HETATM 1127 O HOH 118 -59.450 -17.353 4.105 1.00 33.34 O HETATM 1128 O HOH 119 -50.643 -20.832 5.112 1.00 19.66 O HETATM 1129 O HOH 120 -48.353 -56.662 -10.525 1.00 32.37 O HETATM 1130 O HOH 121 -61.004 -33.719 5.418 1.00 21.92 O HETATM 1131 O HOH 122 -66.813 -23.146 -1.753 1.00 28.29 O HETATM 1132 O HOH 123 -59.091 -20.939 9.645 1.00 23.44 O HETATM 1133 O HOH 124 -39.214 -26.271 9.119 1.00 35.91 O HETATM 1134 O HOH 125 -60.031 -31.155 11.207 1.00 31.56 O HETATM 1135 O HOH 126 -50.690 -49.907 -1.333 1.00 34.00 O HETATM 1136 O HOH 127 -63.422 -27.194 -9.878 1.00 17.78 O HETATM 1137 O HOH 128 -64.114 -25.984 -4.430 1.00 32.23 O HETATM 1138 O HOH 129 -52.319 -17.826 4.644 1.00 28.55 O HETATM 1139 O HOH 130 -63.829 -28.598 2.418 1.00 17.71 O HETATM 1140 O HOH 131 -66.459 -34.953 -10.954 1.00 25.48 O HETATM 1141 O HOH 132 -55.556 -22.627 -3.950 1.00 12.96 O HETATM 1142 O HOH 133 -46.031 -30.483 -12.851 1.00 27.20 O HETATM 1143 O HOH 134 -44.425 -31.110 -8.353 1.00 30.27 O HETATM 1144 O HOH 135 -58.156 -21.649 -3.595 1.00 12.35 O HETATM 1145 O HOH 136 -57.668 -41.783 6.250 1.00 18.56 O HETATM 1146 O HOH 137 -41.802 -50.526 -9.048 1.00 14.02 O HETATM 1147 O HOH 138 -42.546 -33.643 -8.601 1.00 23.51 O HETATM 1148 O HOH 139 -40.532 -41.381 -9.118 1.00 24.84 O HETATM 1149 O HOH 140 -68.809 -36.155 -16.339 1.00 37.12 O HETATM 1150 O HOH 141 -61.996 -24.108 -3.830 1.00 13.71 O HETATM 1151 O HOH 142 -52.806 -22.128 10.983 1.00 21.68 O HETATM 1152 O HOH 143 -63.968 -50.384 -10.181 1.00 23.37 O HETATM 1153 O HOH 144 -61.876 -36.178 6.459 1.00 21.96 O HETATM 1154 O HOH 145 -63.114 -22.929 3.151 1.00 27.77 O HETATM 1155 O HOH 146 -39.719 -31.041 3.545 1.00 18.55 O HETATM 1156 O HOH 147 -49.738 -42.491 -22.725 1.00 23.83 O HETATM 1157 O HOH 148 -59.224 -44.063 0.727 1.00 18.61 O HETATM 1158 O HOH 149 -52.817 -23.174 -7.827 1.00 26.09 O HETATM 1159 O HOH 150 -62.705 -41.232 -4.031 1.00 11.99 O HETATM 1160 O HOH 151 -62.948 -40.338 -21.898 1.00 36.18 O HETATM 1161 O HOH 152 -67.133 -29.696 -7.675 1.00 15.80 O HETATM 1162 O HOH 153 -48.744 -25.919 9.987 1.00 25.21 O HETATM 1163 O HOH 154 -54.828 -14.620 3.077 1.00 36.37 O HETATM 1164 O HOH 155 -65.133 -38.336 4.174 1.00 21.52 O HETATM 1165 O HOH 156 -45.953 -41.522 2.976 1.00 17.32 O HETATM 1166 O HOH 157 -64.428 -29.748 -0.149 1.00 11.68 O HETATM 1167 O HOH 158 -56.071 -45.759 3.796 1.00 28.42 O HETATM 1168 O HOH 159 -46.706 -38.718 8.277 1.00 15.95 O HETATM 1169 O HOH 160 -41.071 -43.614 -10.814 1.00 23.84 O HETATM 1170 O HOH 161 -44.147 -20.958 -1.346 1.00 37.34 O HETATM 1171 O HOH 162 -44.095 -53.845 -5.704 1.00 14.43 O HETATM 1172 O HOH 163 -42.354 -40.558 11.023 1.00 39.53 O HETATM 1173 O HOH 164 -54.930 -48.588 -0.172 1.00 30.06 O HETATM 1174 O HOH 165 -45.700 -56.120 -6.385 1.00 15.54 O HETATM 1175 O HOH 166 -56.782 -26.809 -9.759 1.00 25.55 O HETATM 1176 O HOH 167 -61.657 -48.451 -4.156 1.00 15.76 O HETATM 1177 O HOH 168 -41.690 -48.550 -5.242 1.00 13.20 O HETATM 1178 O HOH 169 -46.268 -49.681 -3.979 1.00 15.80 O HETATM 1179 O HOH 170 -57.788 -51.225 -1.803 1.00 17.76 O HETATM 1180 O HOH 171 -56.223 -49.125 -2.760 1.00 18.16 O HETATM 1181 O HOH 172 -43.020 -39.206 8.484 1.00 33.44 O HETATM 1182 O HOH 173 -41.574 -40.023 -2.084 1.00 19.10 O HETATM 1183 O HOH 174 -48.190 -19.733 4.006 1.00 25.70 O HETATM 1184 O HOH 175 -67.887 -33.824 -13.053 1.00 26.92 O HETATM 1185 O HOH 176 -60.945 -16.334 1.865 1.00 38.22 O HETATM 1186 O HOH 177 -58.840 -41.992 8.979 1.00 41.12 O HETATM 1187 O HOH 178 -58.260 -36.517 -22.661 1.00 29.67 O HETATM 1188 O HOH 179 -46.671 -41.334 9.123 1.00 26.88 O HETATM 1189 O HOH 180 -47.853 -40.825 -23.787 1.00 33.63 O HETATM 1190 O HOH 181 -60.896 -53.788 -9.356 1.00 24.40 O HETATM 1191 O HOH 182 -61.734 -51.185 -3.794 1.00 15.29 O HETATM 1192 O HOH 183 -62.472 -41.799 -1.280 1.00 12.11 O HETATM 1193 O HOH 184 -50.697 -23.300 -6.093 1.00 14.42 O HETATM 1194 O HOH 185 -53.185 -17.698 0.090 1.00 20.33 O HETATM 1195 O HOH 186 -43.748 -48.579 -3.430 1.00 16.18 O HETATM 1196 O HOH 187 -59.426 -40.117 4.890 1.00 17.17 O HETATM 1197 O HOH 188 -53.928 -15.166 0.525 1.00 25.65 O HETATM 1198 O HOH 189 -42.648 -38.046 -8.243 1.00 14.28 O HETATM 1199 O HOH 190 -58.738 -17.700 -1.656 1.00 18.76 O HETATM 1200 O HOH 191 -39.502 -47.551 -3.787 1.00 12.96 O HETATM 1201 O HOH 192 -56.692 -46.904 1.172 1.00 27.74 O HETATM 1202 O HOH 193 -40.054 -25.914 -7.079 1.00 30.20 O HETATM 1203 O HOH 194 -62.189 -27.128 -12.574 1.00 28.09 O HETATM 1204 O HOH 195 -45.237 -57.000 -9.627 1.00 21.44 O HETATM 1205 O HOH 196 -40.091 -32.254 1.092 1.00 15.05 O HETATM 1206 O HOH 197 -47.930 -49.318 -1.686 1.00 17.86 O HETATM 1207 O HOH 198 -44.337 -19.711 2.407 1.00 31.60 O HETATM 1208 O HOH 199 -53.995 -18.949 -6.051 1.00 15.39 O HETATM 1209 O HOH 200 -60.307 -55.067 -3.616 1.00 15.27 O HETATM 1210 O HOH 201 -44.963 -40.231 5.393 1.00 21.02 O HETATM 1211 O HOH 202 -64.863 -24.552 7.606 1.00 32.17 O HETATM 1212 O HOH 203 -47.086 -23.445 7.793 1.00 30.55 O HETATM 1213 O HOH 204 -40.833 -45.232 -0.375 1.00 27.74 O HETATM 1214 O HOH 205 -53.401 -45.521 2.796 1.00 29.56 O HETATM 1215 O HOH 206 -45.148 -52.530 -1.266 1.00 17.91 O HETATM 1216 O HOH 207 -38.481 -44.402 -1.415 1.00 13.45 O HETATM 1217 O HOH 208 -61.000 -22.138 0.085 1.00 16.09 O HETATM 1218 O HOH 209 -55.979 -15.092 -1.198 1.00 21.63 O HETATM 1219 O HOH 210 -59.694 -14.368 0.875 1.00 25.92 O HETATM 1220 O HOH 211 -44.442 -46.491 -1.696 1.00 26.90 O HETATM 1221 O HOH 212 -48.415 -45.678 1.183 1.00 18.12 O HETATM 1222 O HOH 213 -41.542 -42.166 1.209 1.00 25.94 O HETATM 1223 O HOH 214 -49.833 -22.816 7.385 1.00 23.34 O HETATM 1224 O HOH 215 -56.546 -18.327 -5.282 1.00 13.51 O HETATM 1225 O HOH 216 -54.321 -19.382 -1.797 1.00 13.96 O HETATM 1226 O HOH 217 -59.900 -47.535 -2.159 1.00 16.60 O HETATM 1227 O HOH 218 -46.892 -46.817 -0.849 1.00 17.79 O HETATM 1228 O HOH 219 -46.868 -20.013 -0.436 1.00 24.51 O HETATM 1229 O HOH 220 -42.119 -40.288 4.999 1.00 40.92 O HETATM 1230 O HOH 221 -56.929 -19.322 -2.754 1.00 13.38 O HETATM 1231 O HOH 222 -46.856 -51.033 0.138 1.00 29.37 O HETATM 1232 O HOH 223 -45.570 -42.554 6.774 1.00 33.67 O HETATM 1233 O HOH 224 -61.288 -46.034 -0.454 1.00 17.57 O HETATM 1234 O HOH 225 -59.422 -44.083 3.259 1.00 35.01 O HETATM 1235 O HOH 226 -50.649 -16.856 -0.491 1.00 17.01 O HETATM 1236 O HOH 227 -49.676 -15.767 1.770 1.00 28.02 O HETATM 1237 C1 MOL A 228 -42.966 -23.226 2.206 1.00 0.02 C HETATM 1238 N MOL A 228 -43.282 -24.615 2.527 1.00 -0.28 N HETATM 1239 C2 MOL A 228 -43.338 -25.531 1.549 1.00 0.20 C HETATM 1240 C3 MOL A 228 -43.722 -26.932 1.905 1.00 0.04 C HETATM 1241 C4 MOL A 228 -44.977 -27.220 2.444 1.00 -0.05 C HETATM 1242 C5 MOL A 228 -45.364 -28.543 2.661 1.00 -0.04 C HETATM 1243 C6 MOL A 228 -44.476 -29.571 2.345 1.00 -0.06 C HETATM 1244 C7 MOL A 228 -43.225 -29.285 1.828 1.00 -0.07 C HETATM 1245 C8 MOL A 228 -42.847 -27.974 1.612 1.00 -0.05 C HETATM 1246 H8 MOL A 228 -41.863 -27.756 1.212 1.00 0.06 H HETATM 1247 H7 MOL A 228 -42.540 -30.091 1.592 1.00 0.06 H HETATM 1248 H6 MOL A 228 -44.768 -30.602 2.506 1.00 0.06 H HETATM 1249 C9 MOL A 228 -46.720 -28.872 3.175 1.00 -0.02 C HETATM 1250 C10 MOL A 228 -47.455 -29.823 2.545 1.00 0.06 C HETATM 1251 N1 MOL A 228 -48.704 -30.215 2.964 1.00 -0.21 N HETATM 1252 C15 MOL A 228 -49.311 -29.714 4.126 1.00 0.24 C HETATM 1253 O1 MOL A 228 -50.392 -30.163 4.510 1.00 -0.41 O HETATM 1254 C16 MOL A 228 -48.572 -28.696 4.790 1.00 0.13 C HETATM 1255 N2 MOL A 228 -48.863 -27.984 5.931 1.00 -0.28 N HETATM 1256 C19 MOL A 228 -47.843 -27.117 6.209 1.00 0.02 C HETATM 1257 C18 MOL A 228 -46.870 -27.248 5.256 1.00 -0.07 C HETATM 1258 C17 MOL A 228 -47.316 -28.243 4.340 1.00 -0.04 C HETATM 1259 H18 MOL A 228 -45.932 -26.696 5.207 1.00 0.03 H HETATM 1260 H17 MOL A 228 -47.810 -26.431 7.054 1.00 0.09 H HETATM 1261 H4 MOL A 228 -49.721 -28.088 6.492 1.00 0.23 H HETATM 1262 C11 MOL A 228 -49.439 -31.245 2.212 1.00 0.08 C HETATM 1263 C12 MOL A 228 -50.675 -30.681 1.504 1.00 0.00 C HETATM 1264 C13 MOL A 228 -50.314 -29.710 0.416 1.00 -0.09 C HETATM 1265 C14 MOL A 228 -50.969 -28.611 0.107 1.00 -0.12 C HETATM 1266 H15 MOL A 228 -50.616 -27.977 -0.705 1.00 0.03 H HETATM 1267 H16 MOL A 228 -51.864 -28.336 0.663 1.00 0.03 H HETATM 1268 H14 MOL A 228 -49.426 -29.937 -0.173 1.00 0.07 H HETATM 1269 H12 MOL A 228 -51.303 -30.165 2.245 1.00 0.05 H HETATM 1270 H13 MOL A 228 -51.240 -31.514 1.061 1.00 0.05 H HETATM 1271 H10 MOL A 228 -49.760 -32.031 2.911 1.00 0.07 H HETATM 1272 H11 MOL A 228 -48.767 -31.678 1.457 1.00 0.07 H HETATM 1273 H9 MOL A 228 -47.033 -30.300 1.662 1.00 0.11 H HETATM 1274 H5 MOL A 228 -45.654 -26.412 2.695 1.00 0.06 H HETATM 1275 O MOL A 228 -43.035 -25.272 0.396 1.00 -0.38 O HETATM 1276 C MOL A 228 -43.423 -24.893 3.957 1.00 0.02 C HETATM 1277 H19 MOL A 228 -43.659 -25.957 4.102 1.00 0.05 H HETATM 1278 H20 MOL A 228 -44.235 -24.277 4.372 1.00 0.05 H HETATM 1279 H21 MOL A 228 -42.481 -24.653 4.472 1.00 0.05 H HETATM 1280 H1 MOL A 228 -42.966 -22.627 3.129 1.00 0.05 H HETATM 1281 H2 MOL A 228 -43.721 -22.829 1.512 1.00 0.05 H HETATM 1282 H3 MOL A 228 -41.973 -23.175 1.736 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1237 1238 1280 1281 1282 CONECT 1238 1237 1239 1276 CONECT 1239 1238 1240 1275 CONECT 1240 1239 1241 1245 CONECT 1241 1240 1242 1274 CONECT 1242 1241 1243 1249 CONECT 1243 1242 1244 1248 CONECT 1244 1243 1245 1247 CONECT 1245 1240 1244 1246 CONECT 1246 1245 CONECT 1247 1244 CONECT 1248 1243 CONECT 1249 1242 1250 1258 CONECT 1250 1249 1251 1273 CONECT 1251 1250 1252 1262 CONECT 1252 1251 1253 1254 CONECT 1253 1252 CONECT 1254 1252 1255 1258 CONECT 1255 1254 1256 1261 CONECT 1256 1255 1257 1260 CONECT 1257 1256 1258 1259 CONECT 1258 1249 1254 1257 CONECT 1259 1257 CONECT 1260 1256 CONECT 1261 1255 CONECT 1262 1251 1263 1271 1272 CONECT 1263 1262 1264 1269 1270 CONECT 1264 1263 1265 1268 CONECT 1265 1264 1266 1267 CONECT 1266 1265 CONECT 1267 1265 CONECT 1268 1264 CONECT 1269 1263 CONECT 1270 1263 CONECT 1271 1262 CONECT 1272 1262 CONECT 1273 1250 CONECT 1274 1241 CONECT 1275 1239 CONECT 1276 1238 1277 1278 1279 CONECT 1277 1276 CONECT 1278 1276 CONECT 1279 1276 CONECT 1280 1237 CONECT 1281 1237 CONECT 1282 1237 MASTER 0 0 0 0 0 0 0 0 1281 1 50 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6bqa
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uit
RCSB PDB
PDBbind
106aa, >4UIT_1|Chain... at 99%
4uiu
RCSB PDB
PDBbind
106aa, >4UIU_1|Chain... at 99%
4uiv
RCSB PDB
PDBbind
106aa, >4UIV_1|Chain... at 99%
4uiw
RCSB PDB
PDBbind
106aa, >4UIW_1|Chain... at 99%
4xy8
RCSB PDB
PDBbind
123aa, >4XY8_1|Chain... *
4z6h
RCSB PDB
PDBbind
123aa, >4Z6H_1|Chains... at 100%
4z6i
RCSB PDB
PDBbind
123aa, >4Z6I_1|Chains... at 100%
5eu1
RCSB PDB
PDBbind
123aa, >5EU1_1|Chains... at 100%
5f1h
RCSB PDB
PDBbind
123aa, >5F1H_1|Chains... at 100%
5f1l
RCSB PDB
PDBbind
123aa, >5F1L_1|Chains... at 100%
5f25
RCSB PDB
PDBbind
123aa, >5F25_1|Chains... at 100%
5f2p
RCSB PDB
PDBbind
123aa, >5F2P_1|Chains... at 100%
5i40
RCSB PDB
PDBbind
102aa, >5I40_1|Chain... at 100%
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
RCSB PDB
PDBbind
111aa, >5JI8_1|Chain... at 92%
5mky
RCSB PDB
PDBbind
106aa, >5MKY_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5i1q
RCSB PDB
PDBbind
67C
Entry Information
PDB ID
6bqa
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 9
Ligand Name
67C
EC.Number
E.C.-.-.-.-
Resolution
1.03(Å)
Affinity (Kd/Ki/IC50)
IC50=1.4uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J. Comput. Aided Mol. Des. Vol. 33: pp. 307-330
Ligand Properties
Formula
C
2
0
H
2
1
N
3
O
2
Molecular Weight
335.400
Exact Mass
335.163
No. of atoms
46
No. of bonds
48
Polar Surface Area
58.1
LOGP Value
2.38 (
Computed with XLOGP3
)
3.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
C=CCCn1cc(c2cccc(c2)C(=O)N(C)C)c2c(c1=O)[nH]cc2
InChI String
InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4,6-10,12-13,21H,1,5,11H2,2-3H3
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
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓