Browse entries in the PDBbind-CN Database
HEADER 3D32_COMPLEX COMPND 3D32_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 116 MET LYS PHE VAL TYR LYS GLU GLU HIS PRO PHE GLU LYS SEQRES 2 B 116 ARG ARG SER GLU GLY GLU LYS ILE ARG LYS LYS TYR PRO SEQRES 3 B 116 ASP ARG VAL PRO VAL ILE VAL GLU LYS ALA PRO LYS ALA SEQRES 4 B 116 ARG ILE GLY ASP LEU ASP LYS LYS LYS TYR LEU VAL PRO SEQRES 5 B 116 SER ASP LEU THR VAL GLY GLN PHE TYR PHE LEU ILE ARG SEQRES 6 B 116 LYS ARG ILE HIS LEU ARG ALA GLU ASP ALA LEU PHE PHE SEQRES 7 B 116 PHE VAL ASN ASN VAL ILE PRO PRO THR SER ALA THR MET SEQRES 8 B 116 GLY GLN LEU TYR GLN GLU HIS HIS GLU GLU ASP PHE PHE SEQRES 9 B 116 LEU TYR ILE ALA TYR SER ASP GLU SER VAL TYR GLY HET ASP A 261 198 ATOM 1 N MET B 3 23.539 11.882 50.589 1.00 17.79 N ATOM 2 CA MET B 3 23.832 13.328 50.355 1.00 17.79 C ATOM 3 C MET B 3 23.128 13.868 49.118 1.00 17.14 C ATOM 4 O MET B 3 23.102 13.210 48.071 1.00 17.72 O ATOM 5 CB MET B 3 25.339 13.577 50.236 1.00 18.24 C ATOM 6 CG MET B 3 26.163 13.225 51.469 1.00 19.48 C ATOM 7 SD MET B 3 25.486 13.676 53.079 1.00 21.84 S ATOM 8 CE MET B 3 25.335 15.460 52.942 1.00 22.03 C ATOM 9 HA MET B 3 23.447 13.862 51.224 1.00 0.00 H ATOM 10 HB2 MET B 3 25.713 12.983 49.402 1.00 0.00 H ATOM 11 HB3 MET B 3 25.489 14.635 50.023 1.00 0.00 H ATOM 12 HG2 MET B 3 27.128 13.721 51.370 1.00 0.00 H ATOM 13 HG3 MET B 3 26.309 12.145 51.467 1.00 0.00 H ATOM 14 HE1 MET B 3 26.318 15.893 52.757 1.00 0.00 H ATOM 15 HE2 MET B 3 24.667 15.704 52.116 1.00 0.00 H ATOM 16 HE3 MET B 3 24.928 15.861 53.870 1.00 0.00 H ATOM 17 HN3 MET B 3 23.858 11.328 49.769 1.00 0.00 H ATOM 18 HN2 MET B 3 22.515 11.754 50.719 1.00 0.00 H ATOM 19 HN1 MET B 3 24.041 11.561 51.442 1.00 0.00 H ATOM 20 N LYS B 4 22.586 15.076 49.267 1.00 16.30 N ATOM 21 CA LYS B 4 21.794 15.746 48.233 1.00 14.48 C ATOM 22 C LYS B 4 22.658 16.530 47.243 1.00 13.31 C ATOM 23 O LYS B 4 23.496 17.348 47.634 1.00 13.83 O ATOM 24 CB LYS B 4 20.758 16.682 48.865 1.00 15.18 C ATOM 25 CG LYS B 4 19.854 16.037 49.909 1.00 14.58 C ATOM 26 HA LYS B 4 21.286 14.959 47.676 1.00 0.00 H ATOM 27 HB2 LYS B 4 21.292 17.504 49.342 1.00 0.00 H ATOM 28 HB3 LYS B 4 20.127 17.075 48.068 1.00 0.00 H ATOM 29 HG2 LYS B 4 19.297 15.220 49.450 1.00 0.00 H ATOM 30 HG3 LYS B 4 20.463 15.650 50.726 1.00 0.00 H ATOM 31 H LYS B 4 22.734 15.572 50.169 1.00 0.00 H ATOM 32 N PHE B 5 22.453 16.252 45.958 1.00 11.18 N ATOM 33 CA PHE B 5 23.151 16.915 44.862 1.00 9.71 C ATOM 34 C PHE B 5 22.190 17.267 43.736 1.00 10.02 C ATOM 35 O PHE B 5 21.380 16.438 43.331 1.00 9.47 O ATOM 36 CB PHE B 5 24.216 15.971 44.295 1.00 9.83 C ATOM 37 CG PHE B 5 25.460 15.914 45.123 1.00 7.33 C ATOM 38 CD1 PHE B 5 25.534 15.103 46.248 1.00 8.18 C ATOM 39 CD2 PHE B 5 26.569 16.668 44.756 1.00 10.04 C ATOM 40 CE1 PHE B 5 26.693 15.067 47.019 1.00 9.70 C ATOM 41 CE2 PHE B 5 27.732 16.622 45.515 1.00 9.51 C ATOM 42 CZ PHE B 5 27.790 15.835 46.654 1.00 10.22 C ATOM 43 HA PHE B 5 23.602 17.827 45.252 1.00 0.00 H ATOM 44 HB2 PHE B 5 23.793 14.968 44.236 1.00 0.00 H ATOM 45 HB3 PHE B 5 24.482 16.311 43.294 1.00 0.00 H ATOM 46 HD2 PHE B 5 26.526 17.299 43.868 1.00 0.00 H ATOM 47 HE2 PHE B 5 28.601 17.207 45.214 1.00 0.00 H ATOM 48 HZ PHE B 5 28.695 15.819 47.262 1.00 0.00 H ATOM 49 HE1 PHE B 5 26.739 14.437 47.907 1.00 0.00 H ATOM 50 HD1 PHE B 5 24.678 14.490 46.530 1.00 0.00 H ATOM 51 H PHE B 5 21.754 15.519 45.721 1.00 0.00 H ATOM 52 N VAL B 6 22.302 18.484 43.216 1.00 9.16 N ATOM 53 CA VAL B 6 21.517 18.911 42.060 1.00 9.51 C ATOM 54 C VAL B 6 21.733 17.959 40.881 1.00 9.19 C ATOM 55 O VAL B 6 20.800 17.620 40.146 1.00 9.54 O ATOM 56 CB VAL B 6 21.846 20.378 41.708 1.00 9.09 C ATOM 57 CG1 VAL B 6 21.182 20.802 40.406 1.00 10.23 C ATOM 58 CG2 VAL B 6 21.465 21.303 42.875 1.00 9.30 C ATOM 59 HA VAL B 6 20.456 18.868 42.306 1.00 0.00 H ATOM 60 HB VAL B 6 22.921 20.461 41.550 1.00 0.00 H ATOM 61 HG11 VAL B 6 21.535 20.165 39.595 1.00 0.00 H ATOM 62 HG12 VAL B 6 20.101 20.704 40.502 1.00 0.00 H ATOM 63 HG13 VAL B 6 21.436 21.840 40.191 1.00 0.00 H ATOM 64 HG21 VAL B 6 20.397 21.214 43.073 1.00 0.00 H ATOM 65 HG22 VAL B 6 22.026 21.015 43.764 1.00 0.00 H ATOM 66 HG23 VAL B 6 21.703 22.334 42.612 1.00 0.00 H ATOM 67 H VAL B 6 22.970 19.155 43.646 1.00 0.00 H ATOM 68 N TYR B 7 22.953 17.450 40.745 1.00 9.59 N ATOM 69 CA TYR B 7 23.224 16.562 39.625 1.00 9.87 C ATOM 70 C TYR B 7 22.322 15.329 39.714 1.00 9.52 C ATOM 71 O TYR B 7 21.795 14.860 38.703 1.00 10.93 O ATOM 72 CB TYR B 7 24.698 16.141 39.601 1.00 10.16 C ATOM 73 CG TYR B 7 25.042 15.353 38.364 1.00 9.39 C ATOM 74 CD1 TYR B 7 24.892 13.968 38.342 1.00 8.85 C ATOM 75 CD2 TYR B 7 25.511 15.989 37.215 1.00 9.42 C ATOM 76 CE1 TYR B 7 25.191 13.236 37.215 1.00 9.51 C ATOM 77 CE2 TYR B 7 25.801 15.258 36.073 1.00 10.07 C ATOM 78 CZ TYR B 7 25.644 13.888 36.080 1.00 8.74 C ATOM 79 OH TYR B 7 25.942 13.172 34.948 1.00 10.66 O ATOM 80 HA TYR B 7 23.012 17.097 38.699 1.00 0.00 H ATOM 81 HB3 TYR B 7 24.903 15.527 40.478 1.00 0.00 H ATOM 82 HB2 TYR B 7 25.320 17.036 39.633 1.00 0.00 H ATOM 83 HD2 TYR B 7 25.651 17.070 37.215 1.00 0.00 H ATOM 84 HE2 TYR B 7 26.152 15.764 35.174 1.00 0.00 H ATOM 85 HE1 TYR B 7 25.072 12.152 37.216 1.00 0.00 H ATOM 86 HD1 TYR B 7 24.531 13.455 39.233 1.00 0.00 H ATOM 87 HH TYR B 7 25.778 12.210 35.115 1.00 0.00 H ATOM 88 H TYR B 7 23.702 17.683 41.428 1.00 0.00 H ATOM 89 N LYS B 8 22.147 14.767 40.908 1.00 9.10 N ATOM 90 CA LYS B 8 21.249 13.624 41.075 1.00 9.08 C ATOM 91 C LYS B 8 19.811 14.019 40.800 1.00 9.18 C ATOM 92 O LYS B 8 19.074 13.302 40.122 1.00 8.49 O ATOM 93 CB LYS B 8 21.354 13.061 42.486 1.00 8.93 C ATOM 94 CG LYS B 8 22.666 12.363 42.785 1.00 9.86 C ATOM 95 CD LYS B 8 22.443 11.556 44.039 1.00 14.06 C ATOM 96 CE LYS B 8 23.658 11.569 44.932 1.00 15.26 C ATOM 97 NZ LYS B 8 23.289 10.779 46.140 1.00 13.16 N ATOM 98 HA LYS B 8 21.551 12.861 40.358 1.00 0.00 H ATOM 99 HB2 LYS B 8 21.237 13.884 43.191 1.00 0.00 H ATOM 100 HB3 LYS B 8 20.546 12.344 42.628 1.00 0.00 H ATOM 101 HG2 LYS B 8 22.942 11.708 41.959 1.00 0.00 H ATOM 102 HG3 LYS B 8 23.456 13.097 42.944 1.00 0.00 H ATOM 103 HD2 LYS B 8 21.598 11.976 44.585 1.00 0.00 H ATOM 104 HD3 LYS B 8 22.219 10.526 43.762 1.00 0.00 H ATOM 105 HE2 LYS B 8 23.912 12.592 45.211 1.00 0.00 H ATOM 106 HE3 LYS B 8 24.507 11.111 44.424 1.00 0.00 H ATOM 107 HZ1 LYS B 8 22.474 11.224 46.608 1.00 0.00 H ATOM 108 HZ2 LYS B 8 23.041 9.810 45.856 1.00 0.00 H ATOM 109 HZ3 LYS B 8 24.096 10.754 46.796 1.00 0.00 H ATOM 110 H LYS B 8 22.655 15.145 41.733 1.00 0.00 H ATOM 111 N GLU B 9 19.406 15.173 41.326 1.00 7.70 N ATOM 112 CA GLU B 9 18.037 15.653 41.124 1.00 8.23 C ATOM 113 C GLU B 9 17.695 15.782 39.636 1.00 7.45 C ATOM 114 O GLU B 9 16.563 15.503 39.229 1.00 7.91 O ATOM 115 CB GLU B 9 17.783 16.968 41.870 1.00 8.82 C ATOM 116 CG GLU B 9 18.158 16.916 43.348 1.00 11.61 C ATOM 117 CD GLU B 9 17.139 16.209 44.225 1.00 13.97 C ATOM 118 OE1 GLU B 9 15.962 16.106 43.822 1.00 13.86 O ATOM 119 OE2 GLU B 9 17.518 15.775 45.336 1.00 16.30 O ATOM 120 HA GLU B 9 17.370 14.902 41.548 1.00 0.00 H ATOM 121 HB2 GLU B 9 18.369 17.753 41.393 1.00 0.00 H ATOM 122 HB3 GLU B 9 16.723 17.209 41.792 1.00 0.00 H ATOM 123 HG2 GLU B 9 19.110 16.394 43.441 1.00 0.00 H ATOM 124 HG3 GLU B 9 18.269 17.939 43.709 1.00 0.00 H ATOM 125 H GLU B 9 20.071 15.742 41.888 1.00 0.00 H ATOM 126 N GLU B 10 18.667 16.207 38.832 1.00 6.96 N ATOM 127 CA GLU B 10 18.426 16.565 37.431 1.00 6.68 C ATOM 128 C GLU B 10 18.791 15.499 36.397 1.00 7.58 C ATOM 129 O GLU B 10 18.663 15.725 35.200 1.00 8.78 O ATOM 130 CB GLU B 10 19.157 17.867 37.076 1.00 6.80 C ATOM 131 CG GLU B 10 18.777 19.063 37.940 1.00 8.73 C ATOM 132 CD GLU B 10 17.300 19.397 37.890 1.00 10.81 C ATOM 133 OE1 GLU B 10 16.595 18.966 36.950 1.00 9.42 O ATOM 134 OE2 GLU B 10 16.850 20.126 38.795 1.00 13.11 O ATOM 135 HA GLU B 10 17.344 16.679 37.372 1.00 0.00 H ATOM 136 HB2 GLU B 10 20.228 17.696 37.183 1.00 0.00 H ATOM 137 HB3 GLU B 10 18.932 18.112 36.038 1.00 0.00 H ATOM 138 HG2 GLU B 10 19.047 18.843 38.973 1.00 0.00 H ATOM 139 HG3 GLU B 10 19.340 19.931 37.596 1.00 0.00 H ATOM 140 H GLU B 10 19.632 16.288 39.211 1.00 0.00 H ATOM 141 N HIS B 11 19.255 14.335 36.825 1.00 6.73 N ATOM 142 CA HIS B 11 19.553 13.249 35.890 1.00 7.54 C ATOM 143 C HIS B 11 18.927 11.985 36.428 1.00 7.37 C ATOM 144 O HIS B 11 19.173 11.627 37.582 1.00 7.89 O ATOM 145 CB HIS B 11 21.054 13.051 35.679 1.00 7.85 C ATOM 146 CG HIS B 11 21.759 14.316 35.308 1.00 6.48 C ATOM 147 ND1 HIS B 11 21.998 14.713 34.009 1.00 10.61 N ATOM 148 CD2 HIS B 11 22.224 15.309 36.097 1.00 4.72 C ATOM 149 CE1 HIS B 11 22.597 15.893 34.021 1.00 4.23 C ATOM 150 NE2 HIS B 11 22.733 16.282 35.275 1.00 9.52 N ATOM 151 HA HIS B 11 19.139 13.505 34.915 1.00 0.00 H ATOM 152 HB2 HIS B 11 21.488 12.668 36.603 1.00 0.00 H ATOM 153 HB3 HIS B 11 21.201 12.323 34.881 1.00 0.00 H ATOM 154 HD2 HIS B 11 22.199 15.333 37.186 1.00 0.00 H ATOM 155 HE1 HIS B 11 22.923 16.450 33.143 1.00 0.00 H ATOM 156 H HIS B 11 19.410 14.190 37.843 1.00 0.00 H ATOM 157 N PRO B 12 18.107 11.323 35.600 1.00 6.78 N ATOM 158 CA PRO B 12 17.482 10.095 36.083 1.00 6.16 C ATOM 159 C PRO B 12 18.513 9.016 36.405 1.00 6.01 C ATOM 160 O PRO B 12 19.513 8.864 35.696 1.00 6.84 O ATOM 161 CB PRO B 12 16.578 9.671 34.917 1.00 6.76 C ATOM 162 CG PRO B 12 17.119 10.352 33.716 1.00 8.79 C ATOM 163 CD PRO B 12 17.684 11.659 34.226 1.00 6.89 C ATOM 164 HA PRO B 12 16.937 10.245 37.015 1.00 0.00 H ATOM 165 HD3 PRO B 12 18.532 11.982 33.622 1.00 0.00 H ATOM 166 HD2 PRO B 12 16.924 12.440 34.230 1.00 0.00 H ATOM 167 HG3 PRO B 12 16.327 10.534 32.990 1.00 0.00 H ATOM 168 HG2 PRO B 12 17.902 9.750 33.254 1.00 0.00 H ATOM 169 HB2 PRO B 12 16.609 8.589 34.786 1.00 0.00 H ATOM 170 HB3 PRO B 12 15.550 9.984 35.100 1.00 0.00 H ATOM 171 N PHE B 13 18.226 8.253 37.452 1.00 5.54 N ATOM 172 CA PHE B 13 19.151 7.261 37.976 1.00 5.87 C ATOM 173 C PHE B 13 19.688 6.311 36.903 1.00 5.82 C ATOM 174 O PHE B 13 20.888 6.056 36.857 1.00 6.17 O ATOM 175 CB PHE B 13 18.493 6.459 39.104 1.00 5.67 C ATOM 176 CG PHE B 13 19.329 5.296 39.561 1.00 5.99 C ATOM 177 CD1 PHE B 13 20.328 5.479 40.505 1.00 5.99 C ATOM 178 CD2 PHE B 13 19.161 4.032 39.013 1.00 6.63 C ATOM 179 CE1 PHE B 13 21.132 4.415 40.913 1.00 6.84 C ATOM 180 CE2 PHE B 13 19.940 2.958 39.427 1.00 7.57 C ATOM 181 CZ PHE B 13 20.945 3.152 40.366 1.00 7.73 C ATOM 182 HA PHE B 13 20.006 7.814 38.365 1.00 0.00 H ATOM 183 HB2 PHE B 13 18.328 7.123 39.952 1.00 0.00 H ATOM 184 HB3 PHE B 13 17.535 6.080 38.748 1.00 0.00 H ATOM 185 HD2 PHE B 13 18.404 3.879 38.244 1.00 0.00 H ATOM 186 HE2 PHE B 13 19.762 1.965 39.015 1.00 0.00 H ATOM 187 HZ PHE B 13 21.581 2.321 40.671 1.00 0.00 H ATOM 188 HE1 PHE B 13 21.908 4.575 41.662 1.00 0.00 H ATOM 189 HD1 PHE B 13 20.487 6.468 40.934 1.00 0.00 H ATOM 190 H PHE B 13 17.303 8.369 37.916 1.00 0.00 H ATOM 191 N GLU B 14 18.817 5.748 36.071 1.00 6.62 N ATOM 192 CA GLU B 14 19.285 4.730 35.133 1.00 7.25 C ATOM 193 C GLU B 14 20.298 5.293 34.129 1.00 7.28 C ATOM 194 O GLU B 14 21.251 4.609 33.753 1.00 7.99 O ATOM 195 CB GLU B 14 18.110 4.040 34.433 1.00 7.05 C ATOM 196 CG GLU B 14 18.490 3.083 33.307 1.00 7.24 C ATOM 197 CD GLU B 14 19.523 2.038 33.685 1.00 8.62 C ATOM 198 OE1 GLU B 14 19.629 1.696 34.881 1.00 9.07 O ATOM 199 OE2 GLU B 14 20.211 1.540 32.763 1.00 8.28 O ATOM 200 HA GLU B 14 19.812 3.972 35.713 1.00 0.00 H ATOM 201 HB2 GLU B 14 17.556 3.475 35.183 1.00 0.00 H ATOM 202 HB3 GLU B 14 17.466 4.814 34.014 1.00 0.00 H ATOM 203 HG2 GLU B 14 17.587 2.566 32.981 1.00 0.00 H ATOM 204 HG3 GLU B 14 18.889 3.672 32.481 1.00 0.00 H ATOM 205 H GLU B 14 17.816 6.029 36.088 1.00 0.00 H ATOM 206 N LYS B 15 20.093 6.535 33.707 1.00 7.79 N ATOM 207 CA LYS B 15 21.054 7.191 32.826 1.00 7.80 C ATOM 208 C LYS B 15 22.407 7.307 33.523 1.00 7.60 C ATOM 209 O LYS B 15 23.443 6.952 32.945 1.00 7.80 O ATOM 210 CB LYS B 15 20.544 8.567 32.391 1.00 8.56 C ATOM 211 CG LYS B 15 19.345 8.505 31.460 1.00 9.13 C ATOM 212 HA LYS B 15 21.176 6.584 31.929 1.00 0.00 H ATOM 213 HB2 LYS B 15 20.260 9.127 33.282 1.00 0.00 H ATOM 214 HB3 LYS B 15 21.352 9.088 31.878 1.00 0.00 H ATOM 215 HG2 LYS B 15 19.615 7.957 30.557 1.00 0.00 H ATOM 216 HG3 LYS B 15 18.522 7.996 31.963 1.00 0.00 H ATOM 217 H LYS B 15 19.238 7.046 34.007 1.00 0.00 H ATOM 218 N ARG B 16 22.391 7.763 34.775 1.00 7.19 N ATOM 219 CA ARG B 16 23.626 7.906 35.550 1.00 6.56 C ATOM 220 C ARG B 16 24.334 6.567 35.693 1.00 6.78 C ATOM 221 O ARG B 16 25.531 6.452 35.417 1.00 7.09 O ATOM 222 CB ARG B 16 23.337 8.498 36.939 1.00 6.74 C ATOM 223 CG ARG B 16 22.685 9.880 36.927 1.00 6.70 C ATOM 224 CD ARG B 16 22.679 10.543 38.298 1.00 7.54 C ATOM 225 NE ARG B 16 22.415 9.705 39.472 1.00 8.31 N ATOM 226 CZ ARG B 16 21.294 9.710 40.185 1.00 7.58 C ATOM 227 NH1 ARG B 16 20.241 10.417 39.803 1.00 7.53 N ATOM 228 NH2 ARG B 16 21.224 8.994 41.303 1.00 11.08 N ATOM 229 HA ARG B 16 24.279 8.590 35.009 1.00 0.00 H ATOM 230 HB2 ARG B 16 22.672 7.814 37.467 1.00 0.00 H ATOM 231 HB3 ARG B 16 24.281 8.574 37.478 1.00 0.00 H ATOM 232 HG2 ARG B 16 23.234 10.518 36.234 1.00 0.00 H ATOM 233 HG3 ARG B 16 21.655 9.776 36.586 1.00 0.00 H ATOM 234 HD2 ARG B 16 21.916 11.321 38.278 1.00 0.00 H ATOM 235 HD3 ARG B 16 23.658 11.000 38.440 1.00 0.00 H ATOM 236 HE ARG B 16 23.168 9.053 39.771 1.00 0.00 H ATOM 237 HH12 ARG B 16 19.373 10.407 40.375 1.00 0.00 H ATOM 238 HH11 ARG B 16 20.282 10.982 38.931 1.00 0.00 H ATOM 239 HH22 ARG B 16 20.350 8.993 41.866 1.00 0.00 H ATOM 240 HH21 ARG B 16 22.044 8.435 41.614 1.00 0.00 H ATOM 241 H ARG B 16 21.483 8.023 35.211 1.00 0.00 H ATOM 242 N ARG B 17 23.573 5.563 36.122 1.00 6.73 N ATOM 243 CA ARG B 17 24.105 4.241 36.397 1.00 7.11 C ATOM 244 C ARG B 17 24.721 3.611 35.151 1.00 7.18 C ATOM 245 O ARG B 17 25.826 3.095 35.218 1.00 7.38 O ATOM 246 CB ARG B 17 23.014 3.344 36.998 1.00 7.37 C ATOM 247 CG ARG B 17 23.517 1.964 37.430 1.00 6.54 C ATOM 248 CD ARG B 17 22.426 0.879 37.255 1.00 8.20 C ATOM 249 NE ARG B 17 22.094 0.718 35.838 1.00 9.11 N ATOM 250 CZ ARG B 17 22.866 0.087 34.957 1.00 8.79 C ATOM 251 NH1 ARG B 17 23.963 -0.554 35.348 1.00 8.88 N ATOM 252 NH2 ARG B 17 22.535 0.084 33.677 1.00 8.60 N ATOM 253 HA ARG B 17 24.907 4.344 37.128 1.00 0.00 H ATOM 254 HB2 ARG B 17 22.597 3.847 37.871 1.00 0.00 H ATOM 255 HB3 ARG B 17 22.232 3.207 36.251 1.00 0.00 H ATOM 256 HG2 ARG B 17 24.382 1.697 36.824 1.00 0.00 H ATOM 257 HG3 ARG B 17 23.809 2.006 38.479 1.00 0.00 H ATOM 258 HD2 ARG B 17 21.532 1.176 37.803 1.00 0.00 H ATOM 259 HD3 ARG B 17 22.794 -0.069 37.649 1.00 0.00 H ATOM 260 HE ARG B 17 21.198 1.122 35.499 1.00 0.00 H ATOM 261 HH12 ARG B 17 24.557 -1.043 34.648 1.00 0.00 H ATOM 262 HH11 ARG B 17 24.227 -0.567 36.354 1.00 0.00 H ATOM 263 HH22 ARG B 17 23.136 -0.408 32.986 1.00 0.00 H ATOM 264 HH21 ARG B 17 21.674 0.574 33.362 1.00 0.00 H ATOM 265 H ARG B 17 22.557 5.732 36.266 1.00 0.00 H ATOM 266 N SER B 18 23.999 3.651 34.033 1.00 7.02 N ATOM 267 CA SER B 18 24.476 3.086 32.773 1.00 7.36 C ATOM 268 C SER B 18 25.829 3.690 32.408 1.00 7.53 C ATOM 269 O SER B 18 26.788 2.975 32.115 1.00 7.19 O ATOM 270 CB SER B 18 23.452 3.343 31.661 1.00 7.46 C ATOM 271 OG SER B 18 23.856 2.796 30.414 1.00 6.89 O ATOM 272 HA SER B 18 24.598 2.009 32.889 1.00 0.00 H ATOM 273 HB2 SER B 18 23.323 4.419 31.546 1.00 0.00 H ATOM 274 HB3 SER B 18 22.502 2.893 31.949 1.00 0.00 H ATOM 275 HG SER B 18 24.715 3.204 30.139 1.00 0.00 H ATOM 276 H SER B 18 23.062 4.101 34.058 1.00 0.00 H ATOM 277 N GLU B 19 25.905 5.016 32.460 1.00 7.67 N ATOM 278 CA GLU B 19 27.129 5.721 32.086 1.00 7.56 C ATOM 279 C GLU B 19 28.272 5.443 33.060 1.00 7.35 C ATOM 280 O GLU B 19 29.400 5.138 32.659 1.00 7.43 O ATOM 281 CB GLU B 19 26.874 7.223 31.976 1.00 7.88 C ATOM 282 CG GLU B 19 28.115 7.941 31.453 1.00 9.42 C ATOM 283 CD GLU B 19 27.946 9.445 31.343 1.00 9.51 C ATOM 284 OE1 GLU B 19 27.323 10.038 32.247 1.00 11.84 O ATOM 285 OE2 GLU B 19 28.449 10.016 30.352 1.00 11.86 O ATOM 286 HA GLU B 19 27.433 5.342 31.110 1.00 0.00 H ATOM 287 HB2 GLU B 19 26.044 7.397 31.291 1.00 0.00 H ATOM 288 HB3 GLU B 19 26.620 7.617 32.960 1.00 0.00 H ATOM 289 HG2 GLU B 19 28.943 7.736 32.131 1.00 0.00 H ATOM 290 HG3 GLU B 19 28.350 7.547 30.464 1.00 0.00 H ATOM 291 H GLU B 19 25.077 5.562 32.773 1.00 0.00 H ATOM 292 N GLY B 20 27.981 5.538 34.352 1.00 7.33 N ATOM 293 CA GLY B 20 29.013 5.301 35.358 1.00 7.65 C ATOM 294 C GLY B 20 29.581 3.895 35.243 1.00 7.34 C ATOM 295 O GLY B 20 30.796 3.705 35.308 1.00 7.96 O ATOM 296 HA3 GLY B 20 28.579 5.430 36.350 1.00 0.00 H ATOM 297 HA2 GLY B 20 29.818 6.022 35.219 1.00 0.00 H ATOM 298 H GLY B 20 27.015 5.782 34.649 1.00 0.00 H ATOM 299 N GLU B 21 28.718 2.901 35.052 1.00 7.56 N ATOM 300 CA GLU B 21 29.188 1.523 34.904 1.00 8.11 C ATOM 301 C GLU B 21 30.090 1.360 33.684 1.00 8.59 C ATOM 302 O GLU B 21 31.141 0.721 33.760 1.00 9.83 O ATOM 303 CB GLU B 21 28.006 0.561 34.800 1.00 8.21 C ATOM 304 CG GLU B 21 28.431 -0.896 34.771 1.00 8.39 C ATOM 305 CD GLU B 21 27.262 -1.834 34.618 1.00 9.82 C ATOM 306 OE1 GLU B 21 26.338 -1.527 33.835 1.00 8.82 O ATOM 307 OE2 GLU B 21 27.278 -2.892 35.280 1.00 10.34 O ATOM 308 HA GLU B 21 29.772 1.285 35.793 1.00 0.00 H ATOM 309 HB2 GLU B 21 27.354 0.716 35.660 1.00 0.00 H ATOM 310 HB3 GLU B 21 27.457 0.782 33.885 1.00 0.00 H ATOM 311 HG2 GLU B 21 29.112 -1.045 33.933 1.00 0.00 H ATOM 312 HG3 GLU B 21 28.947 -1.129 35.703 1.00 0.00 H ATOM 313 H GLU B 21 27.699 3.105 35.007 1.00 0.00 H ATOM 314 N LYS B 22 29.682 1.921 32.549 1.00 8.69 N ATOM 315 CA LYS B 22 30.477 1.806 31.326 1.00 8.68 C ATOM 316 C LYS B 22 31.863 2.419 31.508 1.00 8.67 C ATOM 317 O LYS B 22 32.877 1.829 31.125 1.00 8.89 O ATOM 318 CB LYS B 22 29.759 2.475 30.151 1.00 8.80 C ATOM 319 CG LYS B 22 28.686 1.625 29.496 1.00 8.52 C ATOM 320 CD LYS B 22 28.010 2.400 28.380 1.00 8.67 C ATOM 321 HA LYS B 22 30.598 0.745 31.109 1.00 0.00 H ATOM 322 HB2 LYS B 22 29.292 3.390 30.515 1.00 0.00 H ATOM 323 HB3 LYS B 22 30.504 2.724 29.395 1.00 0.00 H ATOM 324 HG2 LYS B 22 29.142 0.724 29.084 1.00 0.00 H ATOM 325 HG3 LYS B 22 27.942 1.346 30.242 1.00 0.00 H ATOM 326 HD2 LYS B 22 27.551 3.300 28.790 1.00 0.00 H ATOM 327 HD3 LYS B 22 28.752 2.678 27.631 1.00 0.00 H ATOM 328 H LYS B 22 28.786 2.448 32.531 1.00 0.00 H ATOM 329 N ILE B 23 31.904 3.604 32.105 1.00 8.53 N ATOM 330 CA ILE B 23 33.169 4.306 32.300 1.00 9.02 C ATOM 331 C ILE B 23 34.088 3.588 33.286 1.00 9.39 C ATOM 332 O ILE B 23 35.307 3.542 33.079 1.00 8.84 O ATOM 333 CB ILE B 23 32.898 5.780 32.679 1.00 8.89 C ATOM 334 CG1 ILE B 23 32.287 6.521 31.488 1.00 9.74 C ATOM 335 CG2 ILE B 23 34.161 6.517 33.127 1.00 10.10 C ATOM 336 CD1 ILE B 23 33.128 6.518 30.221 1.00 13.32 C ATOM 337 HA ILE B 23 33.717 4.303 31.358 1.00 0.00 H ATOM 338 HB ILE B 23 32.205 5.765 33.520 1.00 0.00 H ATOM 339 HG12 ILE B 23 31.328 6.056 31.258 1.00 0.00 H ATOM 340 HG13 ILE B 23 32.125 7.558 31.783 1.00 0.00 H ATOM 341 HD11 ILE B 23 34.088 6.993 30.423 1.00 0.00 H ATOM 342 HD12 ILE B 23 33.291 5.490 29.897 1.00 0.00 H ATOM 343 HD13 ILE B 23 32.606 7.069 29.439 1.00 0.00 H ATOM 344 HG21 ILE B 23 34.580 6.019 34.001 1.00 0.00 H ATOM 345 HG22 ILE B 23 34.891 6.509 32.318 1.00 0.00 H ATOM 346 HG23 ILE B 23 33.909 7.547 33.380 1.00 0.00 H ATOM 347 H ILE B 23 31.021 4.039 32.439 1.00 0.00 H ATOM 348 N ARG B 24 33.506 3.001 34.334 1.00 9.78 N ATOM 349 CA ARG B 24 34.278 2.190 35.271 1.00 10.51 C ATOM 350 C ARG B 24 34.921 0.987 34.602 1.00 10.89 C ATOM 351 O ARG B 24 36.039 0.617 34.946 1.00 11.94 O ATOM 352 CB ARG B 24 33.414 1.694 36.434 1.00 11.13 C ATOM 353 CG ARG B 24 33.191 2.723 37.525 1.00 11.79 C ATOM 354 CD ARG B 24 34.522 3.219 38.071 1.00 14.65 C ATOM 355 NE ARG B 24 35.157 2.295 39.008 1.00 15.58 N ATOM 356 CZ ARG B 24 36.423 2.389 39.409 1.00 16.96 C ATOM 357 NH1 ARG B 24 37.212 3.355 38.949 1.00 18.47 N ATOM 358 NH2 ARG B 24 36.909 1.513 40.277 1.00 19.04 N ATOM 359 HA ARG B 24 35.062 2.846 35.649 1.00 0.00 H ATOM 360 HB2 ARG B 24 32.442 1.400 36.037 1.00 0.00 H ATOM 361 HB3 ARG B 24 33.902 0.826 36.877 1.00 0.00 H ATOM 362 HG2 ARG B 24 32.635 3.566 37.115 1.00 0.00 H ATOM 363 HG3 ARG B 24 32.618 2.270 38.334 1.00 0.00 H ATOM 364 HD2 ARG B 24 34.352 4.166 38.584 1.00 0.00 H ATOM 365 HD3 ARG B 24 35.200 3.378 37.232 1.00 0.00 H ATOM 366 HE ARG B 24 34.583 1.514 39.386 1.00 0.00 H ATOM 367 HH12 ARG B 24 38.199 3.417 39.270 1.00 0.00 H ATOM 368 HH11 ARG B 24 36.842 4.048 38.268 1.00 0.00 H ATOM 369 HH22 ARG B 24 37.898 1.586 40.591 1.00 0.00 H ATOM 370 HH21 ARG B 24 36.301 0.753 40.644 1.00 0.00 H ATOM 371 H ARG B 24 32.484 3.123 34.486 1.00 0.00 H ATOM 372 N LYS B 25 34.209 0.379 33.662 1.00 10.89 N ATOM 373 CA LYS B 25 34.729 -0.773 32.937 1.00 10.79 C ATOM 374 C LYS B 25 35.803 -0.340 31.937 1.00 10.40 C ATOM 375 O LYS B 25 36.838 -0.993 31.796 1.00 10.64 O ATOM 376 CB LYS B 25 33.596 -1.495 32.205 1.00 11.25 C ATOM 377 CG LYS B 25 32.574 -2.217 33.078 1.00 13.31 C ATOM 378 CD LYS B 25 31.664 -3.048 32.185 1.00 17.16 C ATOM 379 CE LYS B 25 30.434 -3.567 32.913 1.00 17.77 C ATOM 380 NZ LYS B 25 29.685 -4.551 32.086 1.00 20.79 N ATOM 381 HA LYS B 25 35.178 -1.456 33.658 1.00 0.00 H ATOM 382 HB2 LYS B 25 33.060 -0.755 31.611 1.00 0.00 H ATOM 383 HB3 LYS B 25 34.047 -2.234 31.542 1.00 0.00 H ATOM 384 HG2 LYS B 25 33.090 -2.869 33.783 1.00 0.00 H ATOM 385 HG3 LYS B 25 31.980 -1.486 33.628 1.00 0.00 H ATOM 386 HD2 LYS B 25 31.338 -2.430 31.348 1.00 0.00 H ATOM 387 HD3 LYS B 25 32.230 -3.899 31.807 1.00 0.00 H ATOM 388 HE2 LYS B 25 29.779 -2.727 33.145 1.00 0.00 H ATOM 389 HE3 LYS B 25 30.747 -4.048 33.839 1.00 0.00 H ATOM 390 HZ1 LYS B 25 29.378 -4.097 31.202 1.00 0.00 H ATOM 391 HZ2 LYS B 25 30.303 -5.358 31.866 1.00 0.00 H ATOM 392 HZ3 LYS B 25 28.853 -4.884 32.614 1.00 0.00 H ATOM 393 H LYS B 25 33.257 0.733 33.437 1.00 0.00 H ATOM 394 N LYS B 26 35.557 0.780 31.264 1.00 9.37 N ATOM 395 CA LYS B 26 36.425 1.228 30.171 1.00 8.23 C ATOM 396 C LYS B 26 37.754 1.806 30.654 1.00 7.59 C ATOM 397 O LYS B 26 38.803 1.549 30.064 1.00 7.35 O ATOM 398 CB LYS B 26 35.689 2.252 29.306 1.00 8.79 C ATOM 399 CG LYS B 26 36.443 2.740 28.078 1.00 8.54 C ATOM 400 CD LYS B 26 36.548 1.675 27.005 1.00 11.31 C ATOM 401 CE LYS B 26 37.497 2.149 25.925 1.00 12.08 C ATOM 402 NZ LYS B 26 37.729 1.090 24.914 1.00 13.86 N ATOM 403 HA LYS B 26 36.667 0.344 29.580 1.00 0.00 H ATOM 404 HB2 LYS B 26 34.757 1.798 28.969 1.00 0.00 H ATOM 405 HB3 LYS B 26 35.466 3.118 29.929 1.00 0.00 H ATOM 406 HG2 LYS B 26 35.920 3.603 27.666 1.00 0.00 H ATOM 407 HG3 LYS B 26 37.448 3.035 28.378 1.00 0.00 H ATOM 408 HD2 LYS B 26 36.926 0.751 27.443 1.00 0.00 H ATOM 409 HD3 LYS B 26 35.564 1.494 26.573 1.00 0.00 H ATOM 410 HE2 LYS B 26 38.449 2.420 26.381 1.00 0.00 H ATOM 411 HE3 LYS B 26 37.069 3.023 25.434 1.00 0.00 H ATOM 412 HZ1 LYS B 26 38.142 0.255 25.377 1.00 0.00 H ATOM 413 HZ2 LYS B 26 36.824 0.831 24.472 1.00 0.00 H ATOM 414 HZ3 LYS B 26 38.383 1.444 24.187 1.00 0.00 H ATOM 415 H LYS B 26 34.727 1.353 31.520 1.00 0.00 H ATOM 416 N TYR B 27 37.695 2.603 31.717 1.00 6.72 N ATOM 417 CA TYR B 27 38.866 3.312 32.238 1.00 6.70 C ATOM 418 C TYR B 27 39.035 2.969 33.714 1.00 6.42 C ATOM 419 O TYR B 27 38.824 3.816 34.584 1.00 6.26 O ATOM 420 CB TYR B 27 38.728 4.828 32.016 1.00 6.64 C ATOM 421 CG TYR B 27 38.648 5.180 30.539 1.00 7.76 C ATOM 422 CD1 TYR B 27 39.704 4.890 29.678 1.00 8.90 C ATOM 423 CD2 TYR B 27 37.503 5.757 29.996 1.00 7.98 C ATOM 424 CE1 TYR B 27 39.636 5.174 28.318 1.00 9.05 C ATOM 425 CE2 TYR B 27 37.427 6.052 28.634 1.00 6.35 C ATOM 426 CZ TYR B 27 38.499 5.767 27.813 1.00 6.32 C ATOM 427 OH TYR B 27 38.433 6.016 26.461 1.00 7.15 O ATOM 428 HA TYR B 27 39.760 2.995 31.701 1.00 0.00 H ATOM 429 HB3 TYR B 27 39.593 5.328 32.451 1.00 0.00 H ATOM 430 HB2 TYR B 27 37.821 5.176 32.511 1.00 0.00 H ATOM 431 HD2 TYR B 27 36.655 5.981 30.643 1.00 0.00 H ATOM 432 HE2 TYR B 27 36.526 6.505 28.221 1.00 0.00 H ATOM 433 HE1 TYR B 27 40.471 4.931 27.661 1.00 0.00 H ATOM 434 HD1 TYR B 27 40.606 4.429 30.080 1.00 0.00 H ATOM 435 HH TYR B 27 39.287 5.751 26.036 1.00 0.00 H ATOM 436 H TYR B 27 36.781 2.728 32.197 1.00 0.00 H ATOM 437 N PRO B 28 39.404 1.711 34.016 1.00 6.18 N ATOM 438 CA PRO B 28 39.340 1.243 35.402 1.00 7.22 C ATOM 439 C PRO B 28 40.321 1.923 36.351 1.00 7.66 C ATOM 440 O PRO B 28 40.134 1.825 37.565 1.00 8.88 O ATOM 441 CB PRO B 28 39.651 -0.253 35.277 1.00 7.32 C ATOM 442 CG PRO B 28 40.489 -0.353 34.058 1.00 7.32 C ATOM 443 CD PRO B 28 39.915 0.666 33.109 1.00 6.78 C ATOM 444 HA PRO B 28 38.370 1.472 35.844 1.00 0.00 H ATOM 445 HD3 PRO B 28 40.685 1.063 32.447 1.00 0.00 H ATOM 446 HD2 PRO B 28 39.110 0.237 32.512 1.00 0.00 H ATOM 447 HG3 PRO B 28 40.427 -1.354 33.630 1.00 0.00 H ATOM 448 HG2 PRO B 28 41.529 -0.121 34.287 1.00 0.00 H ATOM 449 HB2 PRO B 28 40.197 -0.609 36.151 1.00 0.00 H ATOM 450 HB3 PRO B 28 38.733 -0.830 35.163 1.00 0.00 H ATOM 451 N ASP B 29 41.333 2.621 35.840 1.00 7.22 N ATOM 452 CA ASP B 29 42.263 3.334 36.724 1.00 7.70 C ATOM 453 C ASP B 29 41.999 4.837 36.816 1.00 6.83 C ATOM 454 O ASP B 29 42.804 5.602 37.359 1.00 7.80 O ATOM 455 CB ASP B 29 43.716 3.056 36.335 1.00 8.21 C ATOM 456 CG ASP B 29 44.076 1.585 36.439 1.00 10.24 C ATOM 457 OD1 ASP B 29 43.725 0.951 37.455 1.00 12.88 O ATOM 458 OD2 ASP B 29 44.700 1.056 35.501 1.00 12.87 O ATOM 459 HA ASP B 29 42.083 2.938 37.723 1.00 0.00 H ATOM 460 HB2 ASP B 29 43.871 3.382 35.306 1.00 0.00 H ATOM 461 HB3 ASP B 29 44.370 3.624 36.997 1.00 0.00 H ATOM 462 H ASP B 29 41.465 2.661 34.809 1.00 0.00 H ATOM 463 N ARG B 30 40.853 5.251 36.293 1.00 5.46 N ATOM 464 CA ARG B 30 40.358 6.603 36.490 1.00 5.24 C ATOM 465 C ARG B 30 39.060 6.510 37.284 1.00 5.75 C ATOM 466 O ARG B 30 38.405 5.461 37.311 1.00 7.09 O ATOM 467 CB ARG B 30 40.146 7.267 35.132 1.00 5.57 C ATOM 468 CG ARG B 30 41.452 7.419 34.347 1.00 5.53 C ATOM 469 CD ARG B 30 41.248 7.952 32.925 1.00 6.90 C ATOM 470 NE ARG B 30 40.870 9.361 32.933 1.00 6.18 N ATOM 471 CZ ARG B 30 40.446 10.057 31.880 1.00 4.81 C ATOM 472 NH1 ARG B 30 40.336 9.496 30.674 1.00 5.01 N ATOM 473 NH2 ARG B 30 40.116 11.334 32.054 1.00 3.73 N ATOM 474 HA ARG B 30 41.071 7.214 37.044 1.00 0.00 H ATOM 475 HB2 ARG B 30 39.455 6.659 34.548 1.00 0.00 H ATOM 476 HB3 ARG B 30 39.714 8.255 35.289 1.00 0.00 H ATOM 477 HG2 ARG B 30 42.101 8.110 34.886 1.00 0.00 H ATOM 478 HG3 ARG B 30 41.934 6.443 34.285 1.00 0.00 H ATOM 479 HD2 ARG B 30 40.460 7.376 32.440 1.00 0.00 H ATOM 480 HD3 ARG B 30 42.177 7.837 32.366 1.00 0.00 H ATOM 481 HE ARG B 30 40.938 9.866 33.840 1.00 0.00 H ATOM 482 HH12 ARG B 30 40.002 10.060 29.867 1.00 0.00 H ATOM 483 HH11 ARG B 30 40.584 8.495 30.542 1.00 0.00 H ATOM 484 HH22 ARG B 30 39.782 11.899 31.247 1.00 0.00 H ATOM 485 HH21 ARG B 30 40.192 11.767 32.997 1.00 0.00 H ATOM 486 H ARG B 30 40.290 4.587 35.724 1.00 0.00 H ATOM 487 N VAL B 31 38.700 7.612 37.932 1.00 5.48 N ATOM 488 CA VAL B 31 37.578 7.626 38.860 1.00 6.31 C ATOM 489 C VAL B 31 36.534 8.617 38.332 1.00 4.52 C ATOM 490 O VAL B 31 36.849 9.806 38.160 1.00 4.90 O ATOM 491 CB VAL B 31 38.069 8.144 40.234 1.00 6.40 C ATOM 492 CG1 VAL B 31 36.913 8.525 41.169 1.00 8.50 C ATOM 493 CG2 VAL B 31 39.020 7.151 40.871 1.00 8.89 C ATOM 494 HA VAL B 31 37.159 6.625 38.957 1.00 0.00 H ATOM 495 HB VAL B 31 38.620 9.068 40.057 1.00 0.00 H ATOM 496 HG11 VAL B 31 36.318 9.313 40.707 1.00 0.00 H ATOM 497 HG12 VAL B 31 36.286 7.651 41.345 1.00 0.00 H ATOM 498 HG13 VAL B 31 37.316 8.881 42.117 1.00 0.00 H ATOM 499 HG21 VAL B 31 38.507 6.200 41.015 1.00 0.00 H ATOM 500 HG22 VAL B 31 39.882 7.006 40.220 1.00 0.00 H ATOM 501 HG23 VAL B 31 39.352 7.535 41.835 1.00 0.00 H ATOM 502 H VAL B 31 39.235 8.490 37.772 1.00 0.00 H ATOM 503 N PRO B 32 35.292 8.158 38.074 1.00 4.42 N ATOM 504 CA PRO B 32 34.254 9.102 37.649 1.00 4.48 C ATOM 505 C PRO B 32 33.662 9.838 38.843 1.00 4.30 C ATOM 506 O PRO B 32 33.208 9.226 39.817 1.00 4.33 O ATOM 507 CB PRO B 32 33.214 8.207 36.965 1.00 4.95 C ATOM 508 CG PRO B 32 33.337 6.916 37.682 1.00 5.92 C ATOM 509 CD PRO B 32 34.797 6.769 38.073 1.00 5.00 C ATOM 510 HA PRO B 32 34.631 9.884 36.989 1.00 0.00 H ATOM 511 HD3 PRO B 32 34.893 6.320 39.061 1.00 0.00 H ATOM 512 HD2 PRO B 32 35.337 6.163 37.346 1.00 0.00 H ATOM 513 HG3 PRO B 32 33.038 6.095 37.031 1.00 0.00 H ATOM 514 HG2 PRO B 32 32.708 6.919 38.572 1.00 0.00 H ATOM 515 HB2 PRO B 32 32.211 8.620 37.076 1.00 0.00 H ATOM 516 HB3 PRO B 32 33.440 8.087 35.906 1.00 0.00 H ATOM 517 N VAL B 33 33.639 11.162 38.739 1.00 4.70 N ATOM 518 CA VAL B 33 33.272 11.992 39.876 1.00 4.96 C ATOM 519 C VAL B 33 32.442 13.202 39.481 1.00 4.55 C ATOM 520 O VAL B 33 32.728 13.884 38.496 1.00 4.46 O ATOM 521 CB VAL B 33 34.515 12.441 40.665 1.00 5.35 C ATOM 522 CG1 VAL B 33 35.425 13.293 39.796 1.00 5.51 C ATOM 523 CG2 VAL B 33 34.096 13.214 41.895 1.00 4.84 C ATOM 524 HA VAL B 33 32.650 11.366 40.516 1.00 0.00 H ATOM 525 HB VAL B 33 35.068 11.553 40.973 1.00 0.00 H ATOM 526 HG11 VAL B 33 35.747 12.713 38.931 1.00 0.00 H ATOM 527 HG12 VAL B 33 34.882 14.177 39.461 1.00 0.00 H ATOM 528 HG13 VAL B 33 36.297 13.598 40.375 1.00 0.00 H ATOM 529 HG21 VAL B 33 33.525 14.092 41.594 1.00 0.00 H ATOM 530 HG22 VAL B 33 33.478 12.578 42.529 1.00 0.00 H ATOM 531 HG23 VAL B 33 34.983 13.527 42.446 1.00 0.00 H ATOM 532 H VAL B 33 33.886 11.611 37.834 1.00 0.00 H ATOM 533 N ILE B 34 31.404 13.449 40.276 1.00 4.79 N ATOM 534 CA ILE B 34 30.576 14.645 40.134 1.00 5.04 C ATOM 535 C ILE B 34 31.069 15.647 41.180 1.00 4.77 C ATOM 536 O ILE B 34 31.143 15.312 42.365 1.00 5.68 O ATOM 537 CB ILE B 34 29.085 14.311 40.392 1.00 5.19 C ATOM 538 CG1 ILE B 34 28.579 13.237 39.417 1.00 5.04 C ATOM 539 CG2 ILE B 34 28.223 15.585 40.342 1.00 5.73 C ATOM 540 CD1 ILE B 34 28.781 13.568 37.932 1.00 5.63 C ATOM 541 HA ILE B 34 30.654 15.049 39.125 1.00 0.00 H ATOM 542 HB ILE B 34 28.997 13.896 41.396 1.00 0.00 H ATOM 543 HG12 ILE B 34 29.107 12.308 39.632 1.00 0.00 H ATOM 544 HG13 ILE B 34 27.512 13.096 39.591 1.00 0.00 H ATOM 545 HD11 ILE B 34 28.249 14.488 37.690 1.00 0.00 H ATOM 546 HD12 ILE B 34 29.844 13.699 37.732 1.00 0.00 H ATOM 547 HD13 ILE B 34 28.393 12.752 37.323 1.00 0.00 H ATOM 548 HG21 ILE B 34 28.565 16.283 41.106 1.00 0.00 H ATOM 549 HG22 ILE B 34 28.315 16.046 39.359 1.00 0.00 H ATOM 550 HG23 ILE B 34 27.181 15.324 40.526 1.00 0.00 H ATOM 551 H ILE B 34 31.173 12.766 41.026 1.00 0.00 H ATOM 552 N VAL B 35 31.448 16.845 40.741 1.00 5.18 N ATOM 553 CA VAL B 35 31.949 17.896 41.622 1.00 5.63 C ATOM 554 C VAL B 35 30.964 19.044 41.511 1.00 5.96 C ATOM 555 O VAL B 35 30.748 19.570 40.415 1.00 7.01 O ATOM 556 CB VAL B 35 33.360 18.357 41.200 1.00 5.76 C ATOM 557 CG1 VAL B 35 33.813 19.525 42.064 1.00 7.43 C ATOM 558 CG2 VAL B 35 34.355 17.208 41.325 1.00 6.76 C ATOM 559 HA VAL B 35 32.033 17.534 42.647 1.00 0.00 H ATOM 560 HB VAL B 35 33.320 18.678 40.159 1.00 0.00 H ATOM 561 HG11 VAL B 35 33.116 20.355 41.945 1.00 0.00 H ATOM 562 HG12 VAL B 35 33.836 19.215 43.109 1.00 0.00 H ATOM 563 HG13 VAL B 35 34.810 19.839 41.754 1.00 0.00 H ATOM 564 HG21 VAL B 35 34.387 16.868 42.360 1.00 0.00 H ATOM 565 HG22 VAL B 35 34.042 16.386 40.681 1.00 0.00 H ATOM 566 HG23 VAL B 35 35.344 17.551 41.023 1.00 0.00 H ATOM 567 H VAL B 35 31.384 17.042 39.722 1.00 0.00 H ATOM 568 N GLU B 36 30.332 19.372 42.628 1.00 4.68 N ATOM 569 CA GLU B 36 29.266 20.364 42.621 1.00 6.27 C ATOM 570 C GLU B 36 29.480 21.354 43.754 1.00 6.71 C ATOM 571 O GLU B 36 29.882 20.970 44.851 1.00 6.36 O ATOM 572 CB GLU B 36 27.928 19.643 42.795 1.00 6.69 C ATOM 573 CG GLU B 36 26.701 20.543 42.803 1.00 7.41 C ATOM 574 CD GLU B 36 25.426 19.727 42.778 1.00 6.83 C ATOM 575 OE1 GLU B 36 25.166 19.080 41.738 1.00 7.26 O ATOM 576 OE2 GLU B 36 24.699 19.731 43.796 1.00 9.20 O ATOM 577 HA GLU B 36 29.268 20.911 41.678 1.00 0.00 H ATOM 578 HB2 GLU B 36 27.819 18.932 41.976 1.00 0.00 H ATOM 579 HB3 GLU B 36 27.956 19.103 43.742 1.00 0.00 H ATOM 580 HG2 GLU B 36 26.714 21.156 43.705 1.00 0.00 H ATOM 581 HG3 GLU B 36 26.728 21.189 41.926 1.00 0.00 H ATOM 582 H GLU B 36 30.601 18.915 43.522 1.00 0.00 H ATOM 583 N LYS B 37 29.221 22.635 43.501 1.00 8.61 N ATOM 584 CA LYS B 37 29.397 23.666 44.517 1.00 10.01 C ATOM 585 C LYS B 37 28.255 23.675 45.527 1.00 11.06 C ATOM 586 O LYS B 37 27.087 23.640 45.141 1.00 10.81 O ATOM 587 CB LYS B 37 29.494 25.034 43.846 1.00 10.05 C ATOM 588 CG LYS B 37 29.629 26.181 44.835 1.00 10.39 C ATOM 589 CD LYS B 37 29.692 27.531 44.131 1.00 12.92 C ATOM 590 CE LYS B 37 28.311 27.977 43.714 1.00 14.86 C ATOM 591 NZ LYS B 37 27.566 28.519 44.881 1.00 15.64 N ATOM 592 HA LYS B 37 30.317 23.444 45.058 1.00 0.00 H ATOM 593 HB2 LYS B 37 30.365 25.037 43.191 1.00 0.00 H ATOM 594 HB3 LYS B 37 28.594 25.193 43.252 1.00 0.00 H ATOM 595 HG2 LYS B 37 28.770 26.172 45.505 1.00 0.00 H ATOM 596 HG3 LYS B 37 30.542 26.042 45.414 1.00 0.00 H ATOM 597 HD2 LYS B 37 30.118 28.270 44.810 1.00 0.00 H ATOM 598 HD3 LYS B 37 30.323 27.445 43.247 1.00 0.00 H ATOM 599 HE2 LYS B 37 27.767 27.126 43.304 1.00 0.00 H ATOM 600 HE3 LYS B 37 28.398 28.752 42.952 1.00 0.00 H ATOM 601 HZ1 LYS B 37 27.479 27.781 45.608 1.00 0.00 H ATOM 602 HZ2 LYS B 37 28.081 29.333 45.272 1.00 0.00 H ATOM 603 HZ3 LYS B 37 26.619 28.821 44.576 1.00 0.00 H ATOM 604 H LYS B 37 28.885 22.907 42.555 1.00 0.00 H ATOM 605 N ALA B 38 28.589 23.736 46.814 1.00 11.54 N ATOM 606 CA ALA B 38 27.587 23.904 47.868 1.00 13.28 C ATOM 607 C ALA B 38 26.809 25.193 47.565 1.00 13.78 C ATOM 608 O ALA B 38 27.401 26.190 47.143 1.00 15.23 O ATOM 609 CB ALA B 38 28.257 23.984 49.239 1.00 13.31 C ATOM 610 HA ALA B 38 26.910 23.050 47.890 1.00 0.00 H ATOM 611 HB1 ALA B 38 28.814 23.066 49.424 1.00 0.00 H ATOM 612 HB2 ALA B 38 28.938 24.834 49.260 1.00 0.00 H ATOM 613 HB3 ALA B 38 27.495 24.109 50.008 1.00 0.00 H ATOM 614 H ALA B 38 29.592 23.662 47.079 1.00 0.00 H ATOM 615 N PRO B 39 25.473 25.185 47.727 1.00 15.60 N ATOM 616 CA PRO B 39 24.629 26.301 47.278 1.00 16.08 C ATOM 617 C PRO B 39 25.029 27.696 47.773 1.00 16.42 C ATOM 618 O PRO B 39 25.074 28.646 46.978 1.00 16.71 O ATOM 619 CB PRO B 39 23.230 25.933 47.792 1.00 16.44 C ATOM 620 CG PRO B 39 23.406 24.754 48.709 1.00 16.53 C ATOM 621 CD PRO B 39 24.686 24.090 48.321 1.00 15.58 C ATOM 622 HA PRO B 39 24.714 26.401 46.196 1.00 0.00 H ATOM 623 HD3 PRO B 39 25.191 23.675 49.194 1.00 0.00 H ATOM 624 HD2 PRO B 39 24.510 23.297 47.594 1.00 0.00 H ATOM 625 HG3 PRO B 39 22.573 24.060 48.592 1.00 0.00 H ATOM 626 HG2 PRO B 39 23.456 25.089 49.745 1.00 0.00 H ATOM 627 HB2 PRO B 39 22.796 26.772 48.336 1.00 0.00 H ATOM 628 HB3 PRO B 39 22.580 25.668 46.958 1.00 0.00 H ATOM 629 N LYS B 40 25.313 27.823 49.066 1.00 15.39 N ATOM 630 CA LYS B 40 25.601 29.124 49.666 1.00 15.46 C ATOM 631 C LYS B 40 27.058 29.570 49.547 1.00 15.40 C ATOM 632 O LYS B 40 27.404 30.681 49.951 1.00 16.46 O ATOM 633 CB LYS B 40 25.120 29.179 51.122 1.00 15.34 C ATOM 634 CG LYS B 40 23.626 28.928 51.266 1.00 15.00 C ATOM 635 CD LYS B 40 23.179 28.919 52.720 1.00 15.50 C ATOM 636 CE LYS B 40 21.710 28.533 52.829 1.00 16.28 C ATOM 637 NZ LYS B 40 21.215 28.533 54.232 1.00 17.92 N ATOM 638 HA LYS B 40 25.034 29.844 49.076 1.00 0.00 H ATOM 639 HB2 LYS B 40 25.656 28.422 51.694 1.00 0.00 H ATOM 640 HB3 LYS B 40 25.347 30.166 51.526 1.00 0.00 H ATOM 641 HG2 LYS B 40 23.086 29.714 50.738 1.00 0.00 H ATOM 642 HG3 LYS B 40 23.388 27.962 50.820 1.00 0.00 H ATOM 643 HD2 LYS B 40 23.781 28.199 53.275 1.00 0.00 H ATOM 644 HD3 LYS B 40 23.321 29.913 53.144 1.00 0.00 H ATOM 645 HE2 LYS B 40 21.581 27.533 52.414 1.00 0.00 H ATOM 646 HE3 LYS B 40 21.119 29.244 52.251 1.00 0.00 H ATOM 647 HZ1 LYS B 40 21.765 27.851 54.792 1.00 0.00 H ATOM 648 HZ2 LYS B 40 21.324 29.485 54.637 1.00 0.00 H ATOM 649 HZ3 LYS B 40 20.211 28.263 54.244 1.00 0.00 H ATOM 650 H LYS B 40 25.331 26.974 49.666 1.00 0.00 H ATOM 651 N ALA B 41 27.907 28.721 48.970 1.00 14.79 N ATOM 652 CA ALA B 41 29.297 29.097 48.739 1.00 14.89 C ATOM 653 C ALA B 41 29.335 30.276 47.763 1.00 15.25 C ATOM 654 O ALA B 41 28.623 30.258 46.760 1.00 15.88 O ATOM 655 CB ALA B 41 30.089 27.893 48.213 1.00 15.29 C ATOM 656 HA ALA B 41 29.765 29.407 49.673 1.00 0.00 H ATOM 657 HB1 ALA B 41 30.053 27.088 48.947 1.00 0.00 H ATOM 658 HB2 ALA B 41 29.650 27.552 47.275 1.00 0.00 H ATOM 659 HB3 ALA B 41 31.125 28.187 48.045 1.00 0.00 H ATOM 660 H ALA B 41 27.575 27.779 48.681 1.00 0.00 H ATOM 661 N ARG B 42 30.127 31.305 48.066 1.00 15.00 N ATOM 662 CA ARG B 42 30.232 32.492 47.212 1.00 15.17 C ATOM 663 C ARG B 42 31.390 32.344 46.228 1.00 15.12 C ATOM 664 O ARG B 42 31.747 33.277 45.502 1.00 16.40 O ATOM 665 CB ARG B 42 30.358 33.768 48.049 1.00 14.74 C ATOM 666 CG ARG B 42 29.031 34.238 48.624 1.00 15.50 C ATOM 667 CD ARG B 42 29.240 35.332 49.665 1.00 16.17 C ATOM 668 NE ARG B 42 29.520 36.666 49.077 1.00 16.39 N ATOM 669 CZ ARG B 42 30.737 37.257 49.017 1.00 16.85 C ATOM 670 NH1 ARG B 42 31.823 36.631 49.489 1.00 18.20 N ATOM 671 NH2 ARG B 42 30.875 38.472 48.457 1.00 15.16 N ATOM 672 HA ARG B 42 29.313 32.580 46.633 1.00 0.00 H ATOM 673 HB2 ARG B 42 31.045 33.576 48.873 1.00 0.00 H ATOM 674 HB3 ARG B 42 30.762 34.559 47.417 1.00 0.00 H ATOM 675 HG2 ARG B 42 28.411 34.628 47.817 1.00 0.00 H ATOM 676 HG3 ARG B 42 28.526 33.393 49.092 1.00 0.00 H ATOM 677 HD2 ARG B 42 30.082 35.050 50.297 1.00 0.00 H ATOM 678 HD3 ARG B 42 28.339 35.406 50.274 1.00 0.00 H ATOM 679 HE ARG B 42 28.715 37.190 48.678 1.00 0.00 H ATOM 680 HH12 ARG B 42 32.753 37.094 49.438 1.00 0.00 H ATOM 681 HH11 ARG B 42 31.736 35.682 49.906 1.00 0.00 H ATOM 682 HH22 ARG B 42 31.812 38.921 48.414 1.00 0.00 H ATOM 683 HH21 ARG B 42 30.045 38.962 48.067 1.00 0.00 H ATOM 684 H ARG B 42 30.690 31.264 48.939 1.00 0.00 H ATOM 685 N ILE B 43 31.942 31.134 46.247 1.00 14.03 N ATOM 686 CA ILE B 43 33.050 30.669 45.422 1.00 13.37 C ATOM 687 C ILE B 43 32.594 30.538 43.968 1.00 12.45 C ATOM 688 O ILE B 43 31.404 30.359 43.698 1.00 11.82 O ATOM 689 CB ILE B 43 33.587 29.328 46.013 1.00 13.23 C ATOM 690 CG1 ILE B 43 34.918 28.889 45.408 1.00 14.00 C ATOM 691 CG2 ILE B 43 32.574 28.206 45.904 1.00 15.06 C ATOM 692 CD1 ILE B 43 35.599 27.863 46.274 1.00 14.17 C ATOM 693 HA ILE B 43 33.870 31.387 45.429 1.00 0.00 H ATOM 694 HB ILE B 43 33.762 29.538 47.068 1.00 0.00 H ATOM 695 HG12 ILE B 43 34.736 28.459 44.423 1.00 0.00 H ATOM 696 HG13 ILE B 43 35.568 29.759 45.309 1.00 0.00 H ATOM 697 HD11 ILE B 43 35.788 28.289 47.259 1.00 0.00 H ATOM 698 HD12 ILE B 43 34.956 26.988 46.372 1.00 0.00 H ATOM 699 HD13 ILE B 43 36.544 27.571 45.815 1.00 0.00 H ATOM 700 HG21 ILE B 43 31.671 28.479 46.450 1.00 0.00 H ATOM 701 HG22 ILE B 43 32.329 28.040 44.855 1.00 0.00 H ATOM 702 HG23 ILE B 43 32.996 27.295 46.329 1.00 0.00 H ATOM 703 H ILE B 43 31.542 30.449 46.920 1.00 0.00 H ATOM 704 N GLY B 44 33.535 30.661 43.038 1.00 10.99 N ATOM 705 CA GLY B 44 33.230 30.541 41.619 1.00 11.15 C ATOM 706 C GLY B 44 32.686 29.179 41.226 1.00 10.18 C ATOM 707 O GLY B 44 32.996 28.154 41.850 1.00 9.84 O ATOM 708 HA3 GLY B 44 34.144 30.723 41.053 1.00 0.00 H ATOM 709 HA2 GLY B 44 32.488 31.296 41.361 1.00 0.00 H ATOM 710 H GLY B 44 34.515 30.848 43.331 1.00 0.00 H ATOM 711 N ASP B 45 31.844 29.187 40.197 1.00 10.13 N ATOM 712 CA ASP B 45 31.356 27.975 39.555 1.00 10.60 C ATOM 713 C ASP B 45 32.429 27.400 38.646 1.00 10.58 C ATOM 714 O ASP B 45 33.235 28.128 38.062 1.00 11.56 O ATOM 715 CB ASP B 45 30.178 28.312 38.647 1.00 11.21 C ATOM 716 CG ASP B 45 28.971 28.782 39.403 1.00 13.03 C ATOM 717 OD1 ASP B 45 28.793 28.361 40.564 1.00 15.23 O ATOM 718 OD2 ASP B 45 28.200 29.566 38.814 1.00 15.07 O ATOM 719 HA ASP B 45 31.076 27.272 40.339 1.00 0.00 H ATOM 720 HB2 ASP B 45 30.484 29.099 37.958 1.00 0.00 H ATOM 721 HB3 ASP B 45 29.908 27.420 38.082 1.00 0.00 H ATOM 722 H ASP B 45 31.518 30.105 39.833 1.00 0.00 H ATOM 723 N LEU B 46 32.441 26.076 38.552 1.00 9.51 N ATOM 724 CA LEU B 46 33.166 25.396 37.491 1.00 9.19 C ATOM 725 C LEU B 46 32.216 25.185 36.317 1.00 9.24 C ATOM 726 O LEU B 46 31.010 25.026 36.520 1.00 9.64 O ATOM 727 CB LEU B 46 33.647 24.041 38.017 1.00 8.91 C ATOM 728 CG LEU B 46 34.747 24.069 39.078 1.00 9.48 C ATOM 729 CD1 LEU B 46 34.868 22.705 39.734 1.00 8.83 C ATOM 730 CD2 LEU B 46 36.069 24.489 38.441 1.00 9.80 C ATOM 731 HA LEU B 46 34.024 25.986 37.169 1.00 0.00 H ATOM 732 HB2 LEU B 46 32.786 23.528 38.446 1.00 0.00 H ATOM 733 HB3 LEU B 46 34.022 23.470 37.167 1.00 0.00 H ATOM 734 HG LEU B 46 34.491 24.796 39.848 1.00 0.00 H ATOM 735 HD21 LEU B 46 36.338 23.776 37.661 1.00 0.00 H ATOM 736 HD22 LEU B 46 35.962 25.483 38.006 1.00 0.00 H ATOM 737 HD23 LEU B 46 36.848 24.507 39.203 1.00 0.00 H ATOM 738 HD11 LEU B 46 33.920 22.444 40.205 1.00 0.00 H ATOM 739 HD12 LEU B 46 35.116 21.960 38.978 1.00 0.00 H ATOM 740 HD13 LEU B 46 35.654 22.735 40.488 1.00 0.00 H ATOM 741 H LEU B 46 31.920 25.512 39.253 1.00 0.00 H ATOM 742 N ASP B 47 32.755 25.207 35.099 1.00 9.24 N ATOM 743 CA ASP B 47 31.967 24.989 33.881 1.00 9.99 C ATOM 744 C ASP B 47 31.292 23.616 33.900 1.00 9.60 C ATOM 745 O ASP B 47 30.122 23.487 33.539 1.00 10.65 O ATOM 746 CB ASP B 47 32.845 25.032 32.619 1.00 10.11 C ATOM 747 CG ASP B 47 33.461 26.392 32.332 1.00 12.75 C ATOM 748 OD1 ASP B 47 32.981 27.420 32.846 1.00 13.95 O ATOM 749 OD2 ASP B 47 34.431 26.424 31.541 1.00 14.60 O ATOM 750 HA ASP B 47 31.227 25.789 33.856 1.00 0.00 H ATOM 751 HB2 ASP B 47 33.652 24.310 32.740 1.00 0.00 H ATOM 752 HB3 ASP B 47 32.230 24.748 31.765 1.00 0.00 H ATOM 753 H ASP B 47 33.775 25.386 35.008 1.00 0.00 H ATOM 754 N LYS B 48 32.042 22.607 34.333 1.00 9.12 N ATOM 755 CA LYS B 48 31.624 21.207 34.289 1.00 8.72 C ATOM 756 C LYS B 48 31.396 20.644 35.692 1.00 8.30 C ATOM 757 O LYS B 48 32.028 21.092 36.650 1.00 8.73 O ATOM 758 CB LYS B 48 32.705 20.379 33.587 1.00 8.74 C ATOM 759 CG LYS B 48 33.049 20.847 32.177 1.00 9.05 C ATOM 760 CD LYS B 48 31.846 20.761 31.246 1.00 8.40 C ATOM 761 CE LYS B 48 32.219 21.137 29.820 1.00 9.21 C ATOM 762 NZ LYS B 48 33.342 20.288 29.351 1.00 9.76 N ATOM 763 HA LYS B 48 30.683 21.152 33.742 1.00 0.00 H ATOM 764 HB2 LYS B 48 33.612 20.422 34.190 1.00 0.00 H ATOM 765 HB3 LYS B 48 32.358 19.347 33.528 1.00 0.00 H ATOM 766 HG2 LYS B 48 33.389 21.882 32.221 1.00 0.00 H ATOM 767 HG3 LYS B 48 33.848 20.220 31.781 1.00 0.00 H ATOM 768 HD2 LYS B 48 31.462 19.741 31.255 1.00 0.00 H ATOM 769 HD3 LYS B 48 31.073 21.442 31.602 1.00 0.00 H ATOM 770 HE2 LYS B 48 32.520 22.184 29.789 1.00 0.00 H ATOM 771 HE3 LYS B 48 31.357 20.988 29.170 1.00 0.00 H ATOM 772 HZ1 LYS B 48 34.165 20.431 29.970 1.00 0.00 H ATOM 773 HZ2 LYS B 48 33.055 19.289 29.379 1.00 0.00 H ATOM 774 HZ3 LYS B 48 33.590 20.551 28.376 1.00 0.00 H ATOM 775 H LYS B 48 32.980 22.826 34.725 1.00 0.00 H ATOM 776 N LYS B 49 30.510 19.658 35.809 1.00 7.74 N ATOM 777 CA LYS B 49 30.383 18.881 37.047 1.00 7.72 C ATOM 778 C LYS B 49 30.993 17.492 36.929 1.00 7.07 C ATOM 779 O LYS B 49 31.451 16.940 37.927 1.00 7.57 O ATOM 780 CB LYS B 49 28.930 18.721 37.485 1.00 8.02 C ATOM 781 CG LYS B 49 28.284 20.018 37.901 1.00 6.93 C ATOM 782 CD LYS B 49 26.974 19.734 38.591 1.00 8.00 C ATOM 783 CE LYS B 49 26.210 21.020 38.824 1.00 7.39 C ATOM 784 NZ LYS B 49 24.920 20.684 39.470 1.00 6.89 N ATOM 785 HA LYS B 49 30.930 19.456 37.794 1.00 0.00 H ATOM 786 HB2 LYS B 49 28.362 18.303 36.654 1.00 0.00 H ATOM 787 HB3 LYS B 49 28.897 18.032 38.329 1.00 0.00 H ATOM 788 HG2 LYS B 49 28.946 20.550 38.584 1.00 0.00 H ATOM 789 HG3 LYS B 49 28.104 20.633 37.019 1.00 0.00 H ATOM 790 HD2 LYS B 49 26.376 19.069 37.968 1.00 0.00 H ATOM 791 HD3 LYS B 49 27.170 19.253 39.550 1.00 0.00 H ATOM 792 HE2 LYS B 49 26.027 21.518 37.872 1.00 0.00 H ATOM 793 HE3 LYS B 49 26.787 21.679 39.473 1.00 0.00 H ATOM 794 HZ1 LYS B 49 24.376 20.053 38.848 1.00 0.00 H ATOM 795 HZ2 LYS B 49 25.101 20.207 40.376 1.00 0.00 H ATOM 796 HZ3 LYS B 49 24.380 21.557 39.638 1.00 0.00 H ATOM 797 H LYS B 49 29.892 19.433 35.003 1.00 0.00 H ATOM 798 N LYS B 50 31.039 16.937 35.725 1.00 7.37 N ATOM 799 CA LYS B 50 31.441 15.547 35.561 1.00 7.75 C ATOM 800 C LYS B 50 32.899 15.493 35.121 1.00 7.48 C ATOM 801 O LYS B 50 33.305 16.123 34.143 1.00 7.73 O ATOM 802 CB LYS B 50 30.500 14.920 34.536 1.00 9.84 C ATOM 803 CG LYS B 50 30.443 13.414 34.542 1.00 10.74 C ATOM 804 CD LYS B 50 29.218 12.875 33.800 1.00 12.19 C ATOM 805 CE LYS B 50 29.169 13.292 32.339 1.00 8.08 C ATOM 806 NZ LYS B 50 27.996 12.803 31.543 1.00 7.69 N ATOM 807 HA LYS B 50 31.370 14.988 36.494 1.00 0.00 H ATOM 808 HB2 LYS B 50 29.495 15.295 34.729 1.00 0.00 H ATOM 809 HB3 LYS B 50 30.822 15.240 33.545 1.00 0.00 H ATOM 810 HG2 LYS B 50 31.342 13.027 34.062 1.00 0.00 H ATOM 811 HG3 LYS B 50 30.407 13.069 35.575 1.00 0.00 H ATOM 812 HD2 LYS B 50 29.235 11.786 33.849 1.00 0.00 H ATOM 813 HD3 LYS B 50 28.321 13.246 34.296 1.00 0.00 H ATOM 814 HE2 LYS B 50 30.074 12.921 31.858 1.00 0.00 H ATOM 815 HE3 LYS B 50 29.162 14.381 32.305 1.00 0.00 H ATOM 816 HZ1 LYS B 50 27.988 11.763 31.543 1.00 0.00 H ATOM 817 HZ2 LYS B 50 27.117 13.158 31.970 1.00 0.00 H ATOM 818 HZ3 LYS B 50 28.073 13.150 30.566 1.00 0.00 H ATOM 819 H LYS B 50 30.785 17.501 34.889 1.00 0.00 H ATOM 820 N TYR B 51 33.702 14.766 35.887 1.00 6.57 N ATOM 821 CA TYR B 51 35.133 14.617 35.620 1.00 6.33 C ATOM 822 C TYR B 51 35.517 13.149 35.690 1.00 6.70 C ATOM 823 O TYR B 51 34.848 12.349 36.347 1.00 6.56 O ATOM 824 CB TYR B 51 35.981 15.437 36.605 1.00 6.02 C ATOM 825 CG TYR B 51 35.677 16.914 36.543 1.00 5.72 C ATOM 826 CD1 TYR B 51 36.308 17.735 35.610 1.00 5.97 C ATOM 827 CD2 TYR B 51 34.722 17.482 37.381 1.00 5.37 C ATOM 828 CE1 TYR B 51 35.990 19.092 35.523 1.00 6.84 C ATOM 829 CE2 TYR B 51 34.408 18.828 37.314 1.00 5.88 C ATOM 830 CZ TYR B 51 35.048 19.629 36.382 1.00 6.31 C ATOM 831 OH TYR B 51 34.743 20.966 36.313 1.00 7.24 O ATOM 832 HA TYR B 51 35.333 14.998 34.619 1.00 0.00 H ATOM 833 HB3 TYR B 51 37.034 15.287 36.368 1.00 0.00 H ATOM 834 HB2 TYR B 51 35.783 15.082 37.616 1.00 0.00 H ATOM 835 HD2 TYR B 51 34.209 16.852 38.107 1.00 0.00 H ATOM 836 HE2 TYR B 51 33.665 19.254 37.988 1.00 0.00 H ATOM 837 HE1 TYR B 51 36.481 19.724 34.783 1.00 0.00 H ATOM 838 HD1 TYR B 51 37.058 17.313 34.941 1.00 0.00 H ATOM 839 HH TYR B 51 33.781 21.074 36.107 1.00 0.00 H ATOM 840 H TYR B 51 33.297 14.281 36.713 1.00 0.00 H ATOM 841 N LEU B 52 36.600 12.797 35.001 1.00 6.01 N ATOM 842 CA LEU B 52 37.153 11.452 35.080 1.00 5.59 C ATOM 843 C LEU B 52 38.611 11.657 35.466 1.00 6.18 C ATOM 844 O LEU B 52 39.390 12.210 34.687 1.00 5.67 O ATOM 845 CB LEU B 52 37.001 10.701 33.750 1.00 5.35 C ATOM 846 CG LEU B 52 37.446 9.235 33.748 1.00 4.78 C ATOM 847 CD1 LEU B 52 36.670 8.455 34.800 1.00 6.63 C ATOM 848 CD2 LEU B 52 37.261 8.591 32.386 1.00 5.76 C ATOM 849 HA LEU B 52 36.630 10.831 35.808 1.00 0.00 H ATOM 850 HB2 LEU B 52 35.948 10.730 33.470 1.00 0.00 H ATOM 851 HB3 LEU B 52 37.590 11.229 33.000 1.00 0.00 H ATOM 852 HG LEU B 52 38.510 9.212 33.984 1.00 0.00 H ATOM 853 HD21 LEU B 52 36.208 8.630 32.107 1.00 0.00 H ATOM 854 HD22 LEU B 52 37.854 9.130 31.647 1.00 0.00 H ATOM 855 HD23 LEU B 52 37.589 7.552 32.429 1.00 0.00 H ATOM 856 HD11 LEU B 52 36.858 8.887 35.783 1.00 0.00 H ATOM 857 HD12 LEU B 52 35.604 8.508 34.577 1.00 0.00 H ATOM 858 HD13 LEU B 52 36.993 7.414 34.791 1.00 0.00 H ATOM 859 H LEU B 52 37.063 13.500 34.391 1.00 0.00 H ATOM 860 N VAL B 53 38.951 11.260 36.690 1.00 6.00 N ATOM 861 CA VAL B 53 40.188 11.721 37.315 1.00 6.81 C ATOM 862 C VAL B 53 41.130 10.575 37.658 1.00 7.12 C ATOM 863 O VAL B 53 40.687 9.447 37.829 1.00 7.53 O ATOM 864 CB VAL B 53 39.915 12.623 38.544 1.00 6.77 C ATOM 865 CG1 VAL B 53 38.933 13.736 38.185 1.00 7.33 C ATOM 866 CG2 VAL B 53 39.376 11.818 39.711 1.00 6.96 C ATOM 867 HA VAL B 53 40.698 12.333 36.571 1.00 0.00 H ATOM 868 HB VAL B 53 40.864 13.067 38.843 1.00 0.00 H ATOM 869 HG11 VAL B 53 39.353 14.345 37.385 1.00 0.00 H ATOM 870 HG12 VAL B 53 37.993 13.296 37.853 1.00 0.00 H ATOM 871 HG13 VAL B 53 38.755 14.358 39.062 1.00 0.00 H ATOM 872 HG21 VAL B 53 38.442 11.338 39.419 1.00 0.00 H ATOM 873 HG22 VAL B 53 40.104 11.058 39.994 1.00 0.00 H ATOM 874 HG23 VAL B 53 39.196 12.482 40.556 1.00 0.00 H ATOM 875 H VAL B 53 38.326 10.611 37.210 1.00 0.00 H ATOM 876 N PRO B 54 42.439 10.848 37.770 1.00 7.16 N ATOM 877 CA PRO B 54 43.340 9.736 38.098 1.00 7.51 C ATOM 878 C PRO B 54 43.044 9.137 39.475 1.00 6.96 C ATOM 879 O PRO B 54 42.777 9.865 40.429 1.00 7.76 O ATOM 880 CB PRO B 54 44.731 10.371 38.062 1.00 7.65 C ATOM 881 CG PRO B 54 44.566 11.572 37.169 1.00 8.07 C ATOM 882 CD PRO B 54 43.177 12.091 37.486 1.00 7.80 C ATOM 883 HA PRO B 54 43.231 8.904 37.403 1.00 0.00 H ATOM 884 HD3 PRO B 54 43.189 12.751 38.353 1.00 0.00 H ATOM 885 HD2 PRO B 54 42.748 12.620 36.635 1.00 0.00 H ATOM 886 HG3 PRO B 54 44.641 11.286 36.120 1.00 0.00 H ATOM 887 HG2 PRO B 54 45.320 12.326 37.393 1.00 0.00 H ATOM 888 HB2 PRO B 54 45.045 10.672 39.061 1.00 0.00 H ATOM 889 HB3 PRO B 54 45.462 9.678 37.647 1.00 0.00 H ATOM 890 N SER B 55 43.110 7.815 39.593 1.00 6.97 N ATOM 891 CA SER B 55 42.825 7.186 40.877 1.00 6.77 C ATOM 892 C SER B 55 43.802 7.640 41.962 1.00 7.20 C ATOM 893 O SER B 55 43.437 7.710 43.133 1.00 7.48 O ATOM 894 CB SER B 55 42.833 5.663 40.756 1.00 6.98 C ATOM 895 OG SER B 55 44.100 5.196 40.336 1.00 5.79 O ATOM 896 HA SER B 55 41.826 7.505 41.175 1.00 0.00 H ATOM 897 HB2 SER B 55 42.081 5.359 40.028 1.00 0.00 H ATOM 898 HB3 SER B 55 42.595 5.227 41.726 1.00 0.00 H ATOM 899 HG SER B 55 44.318 5.587 39.453 1.00 0.00 H ATOM 900 H SER B 55 43.364 7.230 38.771 1.00 0.00 H ATOM 901 N ASP B 56 45.037 7.951 41.581 1.00 7.82 N ATOM 902 CA ASP B 56 46.036 8.362 42.565 1.00 8.24 C ATOM 903 C ASP B 56 46.095 9.864 42.846 1.00 8.45 C ATOM 904 O ASP B 56 46.893 10.302 43.663 1.00 8.32 O ATOM 905 CB ASP B 56 47.412 7.751 42.261 1.00 9.00 C ATOM 906 CG ASP B 56 48.009 8.243 40.962 1.00 12.36 C ATOM 907 OD1 ASP B 56 47.432 9.150 40.333 1.00 14.54 O ATOM 908 OD2 ASP B 56 49.074 7.719 40.572 1.00 16.38 O ATOM 909 HA ASP B 56 45.691 7.945 43.511 1.00 0.00 H ATOM 910 HB2 ASP B 56 48.092 8.007 43.074 1.00 0.00 H ATOM 911 HB3 ASP B 56 47.306 6.668 42.205 1.00 0.00 H ATOM 912 H ASP B 56 45.294 7.901 40.575 1.00 0.00 H ATOM 913 N LEU B 57 45.232 10.652 42.210 1.00 7.84 N ATOM 914 CA LEU B 57 45.180 12.089 42.475 1.00 7.53 C ATOM 915 C LEU B 57 44.735 12.353 43.909 1.00 7.60 C ATOM 916 O LEU B 57 43.716 11.823 44.342 1.00 7.80 O ATOM 917 CB LEU B 57 44.178 12.749 41.526 1.00 7.46 C ATOM 918 CG LEU B 57 43.863 14.234 41.749 1.00 7.24 C ATOM 919 CD1 LEU B 57 45.053 15.109 41.380 1.00 9.53 C ATOM 920 CD2 LEU B 57 42.616 14.636 40.959 1.00 7.11 C ATOM 921 HA LEU B 57 46.177 12.503 42.323 1.00 0.00 H ATOM 922 HB2 LEU B 57 44.570 12.647 40.514 1.00 0.00 H ATOM 923 HB3 LEU B 57 43.240 12.200 41.608 1.00 0.00 H ATOM 924 HG LEU B 57 43.661 14.387 42.809 1.00 0.00 H ATOM 925 HD21 LEU B 57 42.789 14.464 39.897 1.00 0.00 H ATOM 926 HD22 LEU B 57 41.768 14.038 41.292 1.00 0.00 H ATOM 927 HD23 LEU B 57 42.406 15.692 41.128 1.00 0.00 H ATOM 928 HD11 LEU B 57 45.908 14.837 41.999 1.00 0.00 H ATOM 929 HD12 LEU B 57 45.301 14.959 40.329 1.00 0.00 H ATOM 930 HD13 LEU B 57 44.799 16.155 41.549 1.00 0.00 H ATOM 931 H LEU B 57 44.582 10.238 41.511 1.00 0.00 H ATOM 932 N THR B 58 45.474 13.186 44.638 1.00 7.34 N ATOM 933 CA THR B 58 45.081 13.515 46.006 1.00 7.35 C ATOM 934 C THR B 58 44.121 14.697 46.052 1.00 7.22 C ATOM 935 O THR B 58 44.116 15.552 45.164 1.00 6.90 O ATOM 936 CB THR B 58 46.299 13.820 46.903 1.00 7.83 C ATOM 937 OG1 THR B 58 47.008 14.958 46.396 1.00 7.49 O ATOM 938 CG2 THR B 58 47.236 12.614 47.002 1.00 8.66 C ATOM 939 HA THR B 58 44.574 12.630 46.390 1.00 0.00 H ATOM 940 HB THR B 58 45.933 14.041 47.906 1.00 0.00 H ATOM 941 HG1 THR B 58 47.320 14.768 45.476 1.00 0.00 H ATOM 942 HG23 THR B 58 46.684 11.757 47.388 1.00 0.00 H ATOM 943 HG21 THR B 58 47.629 12.379 46.013 1.00 0.00 H ATOM 944 HG22 THR B 58 48.060 12.850 47.675 1.00 0.00 H ATOM 945 H THR B 58 46.335 13.605 44.232 1.00 0.00 H ATOM 946 N VAL B 59 43.349 14.759 47.131 1.00 6.59 N ATOM 947 CA VAL B 59 42.476 15.896 47.389 1.00 6.08 C ATOM 948 C VAL B 59 43.267 17.204 47.348 1.00 6.00 C ATOM 949 O VAL B 59 42.836 18.168 46.732 1.00 7.02 O ATOM 950 CB VAL B 59 41.767 15.698 48.751 1.00 5.80 C ATOM 951 CG1 VAL B 59 41.132 16.984 49.243 1.00 7.82 C ATOM 952 CG2 VAL B 59 40.740 14.578 48.658 1.00 7.18 C ATOM 953 HA VAL B 59 41.716 15.957 46.610 1.00 0.00 H ATOM 954 HB VAL B 59 42.522 15.412 49.483 1.00 0.00 H ATOM 955 HG11 VAL B 59 41.903 17.745 49.363 1.00 0.00 H ATOM 956 HG12 VAL B 59 40.394 17.324 48.517 1.00 0.00 H ATOM 957 HG13 VAL B 59 40.645 16.804 50.201 1.00 0.00 H ATOM 958 HG21 VAL B 59 39.995 14.831 47.903 1.00 0.00 H ATOM 959 HG22 VAL B 59 41.240 13.650 48.380 1.00 0.00 H ATOM 960 HG23 VAL B 59 40.252 14.453 49.625 1.00 0.00 H ATOM 961 H VAL B 59 43.368 13.973 47.812 1.00 0.00 H ATOM 962 N GLY B 60 44.439 17.239 47.980 1.00 6.61 N ATOM 963 CA GLY B 60 45.240 18.457 47.987 1.00 6.33 C ATOM 964 C GLY B 60 45.651 18.926 46.601 1.00 5.48 C ATOM 965 O GLY B 60 45.678 20.130 46.329 1.00 6.72 O ATOM 966 HA3 GLY B 60 46.142 18.272 48.570 1.00 0.00 H ATOM 967 HA2 GLY B 60 44.659 19.249 48.460 1.00 0.00 H ATOM 968 H GLY B 60 44.785 16.391 48.472 1.00 0.00 H ATOM 969 N GLN B 61 46.013 17.999 45.717 1.00 5.59 N ATOM 970 CA GLN B 61 46.330 18.429 44.358 1.00 5.96 C ATOM 971 C GLN B 61 45.073 18.869 43.611 1.00 5.58 C ATOM 972 O GLN B 61 45.119 19.830 42.852 1.00 6.27 O ATOM 973 CB GLN B 61 47.127 17.380 43.583 1.00 6.23 C ATOM 974 CG GLN B 61 47.690 17.977 42.299 1.00 6.04 C ATOM 975 CD GLN B 61 48.652 17.113 41.508 1.00 6.43 C ATOM 976 OE1 GLN B 61 49.243 17.601 40.552 1.00 6.48 O ATOM 977 NE2 GLN B 61 48.797 15.844 41.860 1.00 6.91 N ATOM 978 HA GLN B 61 46.982 19.299 44.440 1.00 0.00 H ATOM 979 HB2 GLN B 61 47.949 17.023 44.204 1.00 0.00 H ATOM 980 HB3 GLN B 61 46.473 16.545 43.334 1.00 0.00 H ATOM 981 HG2 GLN B 61 46.848 18.214 41.649 1.00 0.00 H ATOM 982 HG3 GLN B 61 48.213 18.896 42.564 1.00 0.00 H ATOM 983 HE22 GLN B 61 48.277 15.469 42.679 1.00 0.00 H ATOM 984 HE21 GLN B 61 49.431 15.223 41.318 1.00 0.00 H ATOM 985 H GLN B 61 46.069 16.996 45.987 1.00 0.00 H ATOM 986 N PHE B 62 43.952 18.195 43.845 1.00 5.52 N ATOM 987 CA PHE B 62 42.692 18.607 43.231 1.00 5.46 C ATOM 988 C PHE B 62 42.349 20.027 43.693 1.00 5.74 C ATOM 989 O PHE B 62 41.951 20.858 42.871 1.00 6.00 O ATOM 990 CB PHE B 62 41.590 17.590 43.553 1.00 5.89 C ATOM 991 CG PHE B 62 40.491 17.466 42.519 1.00 4.79 C ATOM 992 CD1 PHE B 62 40.190 18.488 41.620 1.00 5.40 C ATOM 993 CD2 PHE B 62 39.716 16.313 42.491 1.00 5.83 C ATOM 994 CE1 PHE B 62 39.146 18.363 40.705 1.00 5.16 C ATOM 995 CE2 PHE B 62 38.678 16.179 41.577 1.00 6.43 C ATOM 996 CZ PHE B 62 38.399 17.202 40.679 1.00 6.33 C ATOM 997 HA PHE B 62 42.785 18.628 42.145 1.00 0.00 H ATOM 998 HB2 PHE B 62 42.058 16.612 43.664 1.00 0.00 H ATOM 999 HB3 PHE B 62 41.131 17.881 44.498 1.00 0.00 H ATOM 1000 HD2 PHE B 62 39.924 15.506 43.193 1.00 0.00 H ATOM 1001 HE2 PHE B 62 38.080 15.268 41.564 1.00 0.00 H ATOM 1002 HZ PHE B 62 37.592 17.088 39.955 1.00 0.00 H ATOM 1003 HE1 PHE B 62 38.921 19.176 40.015 1.00 0.00 H ATOM 1004 HD1 PHE B 62 40.783 19.403 41.633 1.00 0.00 H ATOM 1005 H PHE B 62 43.972 17.365 44.472 1.00 0.00 H ATOM 1006 N TYR B 63 42.527 20.337 44.975 1.00 6.11 N ATOM 1007 CA TYR B 63 42.333 21.709 45.452 1.00 5.34 C ATOM 1008 C TYR B 63 43.163 22.715 44.651 1.00 5.93 C ATOM 1009 O TYR B 63 42.669 23.749 44.194 1.00 6.99 O ATOM 1010 CB TYR B 63 42.721 21.874 46.925 1.00 5.77 C ATOM 1011 CG TYR B 63 41.784 21.266 47.953 1.00 5.83 C ATOM 1012 CD1 TYR B 63 40.449 20.967 47.678 1.00 6.86 C ATOM 1013 CD2 TYR B 63 42.249 21.043 49.242 1.00 6.18 C ATOM 1014 CE1 TYR B 63 39.616 20.430 48.667 1.00 7.07 C ATOM 1015 CE2 TYR B 63 41.428 20.516 50.233 1.00 6.55 C ATOM 1016 CZ TYR B 63 40.111 20.217 49.948 1.00 5.80 C ATOM 1017 OH TYR B 63 39.295 19.691 50.923 1.00 7.28 O ATOM 1018 HA TYR B 63 41.269 21.905 45.323 1.00 0.00 H ATOM 1019 HB3 TYR B 63 42.788 22.942 47.131 1.00 0.00 H ATOM 1020 HB2 TYR B 63 43.701 21.417 47.061 1.00 0.00 H ATOM 1021 HD2 TYR B 63 43.284 21.287 49.483 1.00 0.00 H ATOM 1022 HE2 TYR B 63 41.824 20.339 51.233 1.00 0.00 H ATOM 1023 HE1 TYR B 63 38.581 20.180 48.433 1.00 0.00 H ATOM 1024 HD1 TYR B 63 40.050 21.154 46.681 1.00 0.00 H ATOM 1025 HH TYR B 63 39.672 18.832 51.239 1.00 0.00 H ATOM 1026 H TYR B 63 42.808 19.595 45.648 1.00 0.00 H ATOM 1027 N PHE B 64 44.448 22.402 44.523 1.00 5.86 N ATOM 1028 CA PHE B 64 45.352 23.245 43.747 1.00 6.21 C ATOM 1029 C PHE B 64 44.868 23.483 42.310 1.00 6.11 C ATOM 1030 O PHE B 64 44.910 24.609 41.804 1.00 6.58 O ATOM 1031 CB PHE B 64 46.753 22.634 43.742 1.00 7.11 C ATOM 1032 CG PHE B 64 47.736 23.457 42.980 1.00 7.33 C ATOM 1033 CD1 PHE B 64 48.392 24.511 43.604 1.00 9.04 C ATOM 1034 CD2 PHE B 64 47.990 23.187 41.643 1.00 8.34 C ATOM 1035 CE1 PHE B 64 49.291 25.297 42.895 1.00 10.11 C ATOM 1036 CE2 PHE B 64 48.873 23.974 40.932 1.00 8.21 C ATOM 1037 CZ PHE B 64 49.530 25.016 41.564 1.00 8.42 C ATOM 1038 HA PHE B 64 45.374 24.221 44.231 1.00 0.00 H ATOM 1039 HB2 PHE B 64 47.098 22.543 44.772 1.00 0.00 H ATOM 1040 HB3 PHE B 64 46.701 21.644 43.289 1.00 0.00 H ATOM 1041 HD2 PHE B 64 47.491 22.351 41.153 1.00 0.00 H ATOM 1042 HE2 PHE B 64 49.053 23.776 39.875 1.00 0.00 H ATOM 1043 HZ PHE B 64 50.244 25.621 41.005 1.00 0.00 H ATOM 1044 HE1 PHE B 64 49.802 26.126 43.384 1.00 0.00 H ATOM 1045 HD1 PHE B 64 48.200 24.722 44.656 1.00 0.00 H ATOM 1046 H PHE B 64 44.815 21.544 44.982 1.00 0.00 H ATOM 1047 N LEU B 65 44.440 22.409 41.654 1.00 6.02 N ATOM 1048 CA LEU B 65 43.973 22.503 40.277 1.00 5.61 C ATOM 1049 C LEU B 65 42.705 23.348 40.156 1.00 5.68 C ATOM 1050 O LEU B 65 42.570 24.133 39.213 1.00 6.33 O ATOM 1051 CB LEU B 65 43.790 21.117 39.660 1.00 6.35 C ATOM 1052 CG LEU B 65 45.095 20.320 39.560 1.00 4.97 C ATOM 1053 CD1 LEU B 65 44.762 18.913 39.060 1.00 7.99 C ATOM 1054 CD2 LEU B 65 46.145 21.007 38.670 1.00 6.60 C ATOM 1055 HA LEU B 65 44.747 23.018 39.708 1.00 0.00 H ATOM 1056 HB2 LEU B 65 43.087 20.555 40.275 1.00 0.00 H ATOM 1057 HB3 LEU B 65 43.379 21.236 38.657 1.00 0.00 H ATOM 1058 HG LEU B 65 45.550 20.265 40.549 1.00 0.00 H ATOM 1059 HD21 LEU B 65 45.746 21.122 37.662 1.00 0.00 H ATOM 1060 HD22 LEU B 65 46.383 21.988 39.082 1.00 0.00 H ATOM 1061 HD23 LEU B 65 47.047 20.396 38.637 1.00 0.00 H ATOM 1062 HD11 LEU B 65 44.082 18.431 39.762 1.00 0.00 H ATOM 1063 HD12 LEU B 65 44.288 18.979 38.081 1.00 0.00 H ATOM 1064 HD13 LEU B 65 45.680 18.330 38.982 1.00 0.00 H ATOM 1065 H LEU B 65 44.438 21.485 42.132 1.00 0.00 H ATOM 1066 N ILE B 66 41.794 23.206 41.116 1.00 6.26 N ATOM 1067 CA ILE B 66 40.597 24.035 41.144 1.00 6.54 C ATOM 1068 C ILE B 66 40.941 25.506 41.378 1.00 7.31 C ATOM 1069 O ILE B 66 40.413 26.395 40.702 1.00 8.62 O ATOM 1070 CB ILE B 66 39.577 23.509 42.179 1.00 5.94 C ATOM 1071 CG1 ILE B 66 38.968 22.194 41.683 1.00 6.80 C ATOM 1072 CG2 ILE B 66 38.504 24.564 42.475 1.00 7.55 C ATOM 1073 CD1 ILE B 66 38.110 21.502 42.727 1.00 8.63 C ATOM 1074 HA ILE B 66 40.125 23.971 40.164 1.00 0.00 H ATOM 1075 HB ILE B 66 40.091 23.310 43.119 1.00 0.00 H ATOM 1076 HG12 ILE B 66 38.350 22.405 40.811 1.00 0.00 H ATOM 1077 HG13 ILE B 66 39.778 21.522 41.399 1.00 0.00 H ATOM 1078 HD11 ILE B 66 38.718 21.275 43.603 1.00 0.00 H ATOM 1079 HD12 ILE B 66 37.289 22.159 43.014 1.00 0.00 H ATOM 1080 HD13 ILE B 66 37.709 20.577 42.311 1.00 0.00 H ATOM 1081 HG21 ILE B 66 38.978 25.461 42.874 1.00 0.00 H ATOM 1082 HG22 ILE B 66 37.975 24.810 41.554 1.00 0.00 H ATOM 1083 HG23 ILE B 66 37.799 24.168 43.206 1.00 0.00 H ATOM 1084 H ILE B 66 41.939 22.492 41.858 1.00 0.00 H ATOM 1085 N ARG B 67 41.828 25.769 42.331 1.00 8.53 N ATOM 1086 CA ARG B 67 42.251 27.142 42.570 1.00 8.81 C ATOM 1087 C ARG B 67 42.750 27.781 41.279 1.00 9.26 C ATOM 1088 O ARG B 67 42.341 28.891 40.938 1.00 9.73 O ATOM 1089 CB ARG B 67 43.334 27.184 43.647 1.00 8.82 C ATOM 1090 CG ARG B 67 42.809 26.844 45.027 1.00 8.76 C ATOM 1091 CD ARG B 67 43.949 26.687 46.018 1.00 9.80 C ATOM 1092 NE ARG B 67 43.469 26.555 47.388 1.00 8.47 N ATOM 1093 CZ ARG B 67 43.035 27.577 48.116 1.00 8.32 C ATOM 1094 NH1 ARG B 67 43.011 28.798 47.603 1.00 8.19 N ATOM 1095 NH2 ARG B 67 42.608 27.382 49.355 1.00 7.70 N ATOM 1096 HA ARG B 67 41.392 27.713 42.922 1.00 0.00 H ATOM 1097 HB2 ARG B 67 44.113 26.468 43.385 1.00 0.00 H ATOM 1098 HB3 ARG B 67 43.759 28.187 43.674 1.00 0.00 H ATOM 1099 HG2 ARG B 67 42.150 27.643 45.365 1.00 0.00 H ATOM 1100 HG3 ARG B 67 42.249 25.910 44.976 1.00 0.00 H ATOM 1101 HD2 ARG B 67 44.594 27.563 45.954 1.00 0.00 H ATOM 1102 HD3 ARG B 67 44.521 25.796 45.758 1.00 0.00 H ATOM 1103 HE ARG B 67 43.466 25.608 47.819 1.00 0.00 H ATOM 1104 HH12 ARG B 67 42.670 29.596 48.176 1.00 0.00 H ATOM 1105 HH11 ARG B 67 43.333 28.958 46.627 1.00 0.00 H ATOM 1106 HH22 ARG B 67 42.269 28.186 49.921 1.00 0.00 H ATOM 1107 HH21 ARG B 67 42.612 26.425 49.762 1.00 0.00 H ATOM 1108 H ARG B 67 42.220 24.996 42.906 1.00 0.00 H ATOM 1109 N LYS B 68 43.602 27.062 40.550 1.00 9.56 N ATOM 1110 CA LYS B 68 44.178 27.573 39.307 1.00 10.40 C ATOM 1111 C LYS B 68 43.094 27.797 38.254 1.00 10.74 C ATOM 1112 O LYS B 68 42.997 28.871 37.655 1.00 10.98 O ATOM 1113 CB LYS B 68 45.253 26.623 38.774 1.00 10.40 C ATOM 1114 CG LYS B 68 45.907 27.092 37.477 1.00 11.12 C ATOM 1115 CD LYS B 68 46.982 26.129 37.016 1.00 13.55 C ATOM 1116 CE LYS B 68 48.311 26.360 37.704 1.00 15.31 C ATOM 1117 NZ LYS B 68 49.382 25.726 36.889 1.00 16.89 N ATOM 1118 HA LYS B 68 44.646 28.533 39.525 1.00 0.00 H ATOM 1119 HB2 LYS B 68 46.029 26.522 39.533 1.00 0.00 H ATOM 1120 HB3 LYS B 68 44.794 25.651 38.595 1.00 0.00 H ATOM 1121 HG2 LYS B 68 45.144 27.168 36.703 1.00 0.00 H ATOM 1122 HG3 LYS B 68 46.356 28.072 37.641 1.00 0.00 H ATOM 1123 HD2 LYS B 68 46.652 25.112 37.227 1.00 0.00 H ATOM 1124 HD3 LYS B 68 47.120 26.249 35.942 1.00 0.00 H ATOM 1125 HE2 LYS B 68 48.293 25.914 38.698 1.00 0.00 H ATOM 1126 HE3 LYS B 68 48.499 27.430 37.790 1.00 0.00 H ATOM 1127 HZ1 LYS B 68 49.196 24.706 36.808 1.00 0.00 H ATOM 1128 HZ2 LYS B 68 49.394 26.154 35.941 1.00 0.00 H ATOM 1129 HZ3 LYS B 68 50.302 25.877 37.350 1.00 0.00 H ATOM 1130 H LYS B 68 43.865 26.110 40.874 1.00 0.00 H ATOM 1131 N ARG B 69 42.253 26.783 38.069 1.00 11.07 N ATOM 1132 CA ARG B 69 41.220 26.819 37.038 1.00 11.52 C ATOM 1133 C ARG B 69 40.300 28.028 37.163 1.00 12.44 C ATOM 1134 O ARG B 69 39.949 28.663 36.163 1.00 12.16 O ATOM 1135 CB ARG B 69 40.407 25.520 37.056 1.00 10.51 C ATOM 1136 CG ARG B 69 39.224 25.487 36.103 1.00 11.26 C ATOM 1137 CD ARG B 69 39.650 25.277 34.665 1.00 8.95 C ATOM 1138 NE ARG B 69 38.475 25.300 33.807 1.00 8.52 N ATOM 1139 CZ ARG B 69 38.459 25.045 32.504 1.00 8.95 C ATOM 1140 NH1 ARG B 69 39.580 24.733 31.861 1.00 11.57 N ATOM 1141 NH2 ARG B 69 37.308 25.110 31.851 1.00 9.49 N ATOM 1142 HA ARG B 69 41.731 26.914 36.080 1.00 0.00 H ATOM 1143 HB2 ARG B 69 41.075 24.700 36.794 1.00 0.00 H ATOM 1144 HB3 ARG B 69 40.030 25.371 38.068 1.00 0.00 H ATOM 1145 HG2 ARG B 69 38.561 24.673 36.395 1.00 0.00 H ATOM 1146 HG3 ARG B 69 38.689 26.434 36.176 1.00 0.00 H ATOM 1147 HD2 ARG B 69 40.151 24.314 34.570 1.00 0.00 H ATOM 1148 HD3 ARG B 69 40.334 26.072 34.368 1.00 0.00 H ATOM 1149 HE ARG B 69 37.567 25.537 34.254 1.00 0.00 H ATOM 1150 HH12 ARG B 69 39.556 24.535 30.840 1.00 0.00 H ATOM 1151 HH11 ARG B 69 40.481 24.687 32.379 1.00 0.00 H ATOM 1152 HH22 ARG B 69 37.277 24.913 30.830 1.00 0.00 H ATOM 1153 HH21 ARG B 69 36.435 25.358 32.359 1.00 0.00 H ATOM 1154 H ARG B 69 42.334 25.942 38.675 1.00 0.00 H ATOM 1155 N ILE B 70 39.905 28.346 38.391 1.00 12.91 N ATOM 1156 CA ILE B 70 38.956 29.435 38.606 1.00 14.58 C ATOM 1157 C ILE B 70 39.588 30.660 39.267 1.00 14.57 C ATOM 1158 O ILE B 70 38.878 31.539 39.750 1.00 13.93 O ATOM 1159 CB ILE B 70 37.667 28.975 39.334 1.00 15.17 C ATOM 1160 CG1 ILE B 70 37.981 28.360 40.701 1.00 16.96 C ATOM 1161 CG2 ILE B 70 36.890 27.997 38.451 1.00 16.11 C ATOM 1162 CD1 ILE B 70 36.761 28.100 41.574 1.00 20.90 C ATOM 1163 HA ILE B 70 38.650 29.753 37.609 1.00 0.00 H ATOM 1164 HB ILE B 70 37.045 29.851 39.516 1.00 0.00 H ATOM 1165 HG12 ILE B 70 38.491 27.411 40.538 1.00 0.00 H ATOM 1166 HG13 ILE B 70 38.644 29.040 41.236 1.00 0.00 H ATOM 1167 HD11 ILE B 70 36.243 29.040 41.761 1.00 0.00 H ATOM 1168 HD12 ILE B 70 36.090 27.410 41.063 1.00 0.00 H ATOM 1169 HD13 ILE B 70 37.080 27.664 42.521 1.00 0.00 H ATOM 1170 HG21 ILE B 70 36.619 28.489 37.517 1.00 0.00 H ATOM 1171 HG22 ILE B 70 37.513 27.128 38.238 1.00 0.00 H ATOM 1172 HG23 ILE B 70 35.986 27.679 38.971 1.00 0.00 H ATOM 1173 H ILE B 70 40.274 27.815 39.205 1.00 0.00 H ATOM 1174 N HIS B 71 40.917 30.707 39.269 1.00 15.48 N ATOM 1175 CA HIS B 71 41.671 31.907 39.634 1.00 15.62 C ATOM 1176 C HIS B 71 41.332 32.333 41.059 1.00 15.82 C ATOM 1177 O HIS B 71 41.050 33.507 41.323 1.00 16.40 O ATOM 1178 CB HIS B 71 41.391 33.050 38.646 1.00 15.55 C ATOM 1179 CG HIS B 71 41.906 32.802 37.260 1.00 16.62 C ATOM 1180 ND1 HIS B 71 42.894 33.573 36.687 1.00 19.14 N ATOM 1181 CD2 HIS B 71 41.555 31.888 36.325 1.00 18.55 C ATOM 1182 CE1 HIS B 71 43.142 33.133 35.466 1.00 18.62 C ATOM 1183 NE2 HIS B 71 42.350 32.104 35.226 1.00 17.10 N ATOM 1184 HA HIS B 71 42.734 31.672 39.586 1.00 0.00 H ATOM 1185 HB2 HIS B 71 40.312 33.197 38.589 1.00 0.00 H ATOM 1186 HB3 HIS B 71 41.860 33.956 39.029 1.00 0.00 H ATOM 1187 HD2 HIS B 71 40.785 31.123 36.426 1.00 0.00 H ATOM 1188 HE1 HIS B 71 43.875 33.549 34.775 1.00 0.00 H ATOM 1189 H HIS B 71 41.444 29.852 38.999 1.00 0.00 H ATOM 1190 N LEU B 72 41.349 31.362 41.968 1.00 16.86 N ATOM 1191 CA LEU B 72 41.039 31.600 43.368 1.00 17.46 C ATOM 1192 C LEU B 72 42.307 32.149 43.989 1.00 17.82 C ATOM 1193 O LEU B 72 43.400 31.651 43.706 1.00 17.80 O ATOM 1194 CB LEU B 72 40.677 30.287 44.057 1.00 17.62 C ATOM 1195 CG LEU B 72 39.315 30.138 44.730 1.00 19.60 C ATOM 1196 CD1 LEU B 72 38.902 28.682 44.647 1.00 19.61 C ATOM 1197 CD2 LEU B 72 39.377 30.601 46.172 1.00 20.32 C ATOM 1198 HA LEU B 72 40.197 32.285 43.473 1.00 0.00 H ATOM 1199 HB2 LEU B 72 40.744 29.504 43.302 1.00 0.00 H ATOM 1200 HB3 LEU B 72 41.430 30.114 44.826 1.00 0.00 H ATOM 1201 HG LEU B 72 38.578 30.760 44.222 1.00 0.00 H ATOM 1202 HD21 LEU B 72 40.107 30.000 46.714 1.00 0.00 H ATOM 1203 HD22 LEU B 72 39.673 31.649 46.203 1.00 0.00 H ATOM 1204 HD23 LEU B 72 38.395 30.486 46.632 1.00 0.00 H ATOM 1205 HD11 LEU B 72 38.838 28.383 43.601 1.00 0.00 H ATOM 1206 HD12 LEU B 72 39.642 28.066 45.158 1.00 0.00 H ATOM 1207 HD13 LEU B 72 37.930 28.554 45.123 1.00 0.00 H ATOM 1208 H LEU B 72 41.593 30.397 41.666 1.00 0.00 H ATOM 1209 N ARG B 73 42.149 33.179 44.815 1.00 18.26 N ATOM 1210 CA ARG B 73 43.276 33.780 45.515 1.00 18.64 C ATOM 1211 C ARG B 73 43.901 32.766 46.472 1.00 18.71 C ATOM 1212 O ARG B 73 43.198 31.941 47.064 1.00 18.95 O ATOM 1213 CB ARG B 73 42.848 35.050 46.258 1.00 18.79 C ATOM 1214 CG ARG B 73 42.506 36.238 45.356 1.00 19.04 C ATOM 1215 CD ARG B 73 42.020 37.460 46.140 1.00 19.04 C ATOM 1216 NE ARG B 73 42.956 37.840 47.196 1.00 18.37 N ATOM 1217 CZ ARG B 73 42.768 37.610 48.493 1.00 18.34 C ATOM 1218 NH1 ARG B 73 41.658 37.022 48.919 1.00 17.59 N ATOM 1219 NH2 ARG B 73 43.689 37.981 49.371 1.00 17.77 N ATOM 1220 HA ARG B 73 44.027 34.069 44.780 1.00 0.00 H ATOM 1221 HB2 ARG B 73 41.968 34.813 46.855 1.00 0.00 H ATOM 1222 HB3 ARG B 73 43.663 35.348 46.917 1.00 0.00 H ATOM 1223 HG2 ARG B 73 43.398 36.517 44.794 1.00 0.00 H ATOM 1224 HG3 ARG B 73 41.721 35.934 44.663 1.00 0.00 H ATOM 1225 HD2 ARG B 73 41.055 37.228 46.591 1.00 0.00 H ATOM 1226 HD3 ARG B 73 41.906 38.298 45.452 1.00 0.00 H ATOM 1227 HE ARG B 73 43.832 38.325 46.914 1.00 0.00 H ATOM 1228 HH12 ARG B 73 41.520 36.846 49.935 1.00 0.00 H ATOM 1229 HH11 ARG B 73 40.926 36.737 48.237 1.00 0.00 H ATOM 1230 HH22 ARG B 73 43.543 37.802 50.385 1.00 0.00 H ATOM 1231 HH21 ARG B 73 44.558 38.451 49.046 1.00 0.00 H ATOM 1232 H ARG B 73 41.195 33.566 44.965 1.00 0.00 H ATOM 1233 N ALA B 74 45.223 32.835 46.604 1.00 18.68 N ATOM 1234 CA ALA B 74 45.979 31.919 47.451 1.00 18.21 C ATOM 1235 C ALA B 74 45.407 31.855 48.861 1.00 17.88 C ATOM 1236 O ALA B 74 45.029 32.876 49.437 1.00 17.90 O ATOM 1237 CB ALA B 74 47.444 32.316 47.495 1.00 18.46 C ATOM 1238 HA ALA B 74 45.896 30.925 47.012 1.00 0.00 H ATOM 1239 HB1 ALA B 74 47.857 32.288 46.487 1.00 0.00 H ATOM 1240 HB2 ALA B 74 47.534 33.325 47.897 1.00 0.00 H ATOM 1241 HB3 ALA B 74 47.989 31.619 48.132 1.00 0.00 H ATOM 1242 H ALA B 74 45.739 33.572 46.082 1.00 0.00 H ATOM 1243 N GLU B 75 45.337 30.639 49.389 1.00 16.97 N ATOM 1244 CA GLU B 75 44.796 30.364 50.716 1.00 16.97 C ATOM 1245 C GLU B 75 43.509 31.107 51.076 1.00 16.12 C ATOM 1246 O GLU B 75 43.177 31.253 52.254 1.00 15.94 O ATOM 1247 CB GLU B 75 45.880 30.490 51.791 1.00 17.12 C ATOM 1248 CG GLU B 75 47.156 29.683 51.517 1.00 18.21 C ATOM 1249 CD GLU B 75 46.906 28.269 51.004 1.00 18.73 C ATOM 1250 OE1 GLU B 75 46.323 28.107 49.906 1.00 18.98 O ATOM 1251 OE2 GLU B 75 47.321 27.314 51.695 1.00 19.56 O ATOM 1252 HA GLU B 75 44.471 29.324 50.678 1.00 0.00 H ATOM 1253 HB2 GLU B 75 46.155 31.542 51.874 1.00 0.00 H ATOM 1254 HB3 GLU B 75 45.460 30.150 52.738 1.00 0.00 H ATOM 1255 HG2 GLU B 75 47.745 30.218 50.772 1.00 0.00 H ATOM 1256 HG3 GLU B 75 47.723 29.614 52.445 1.00 0.00 H ATOM 1257 H GLU B 75 45.687 29.838 48.826 1.00 0.00 H ATOM 1258 N ASP B 76 42.801 31.588 50.054 1.00 14.95 N ATOM 1259 CA ASP B 76 41.351 31.723 50.152 1.00 14.02 C ATOM 1260 C ASP B 76 40.853 30.300 50.294 1.00 12.35 C ATOM 1261 O ASP B 76 41.453 29.375 49.754 1.00 12.58 O ATOM 1262 CB ASP B 76 40.737 32.356 48.904 1.00 14.64 C ATOM 1263 CG ASP B 76 40.764 33.870 48.950 1.00 16.01 C ATOM 1264 OD1 ASP B 76 41.393 34.430 49.876 1.00 19.60 O ATOM 1265 OD2 ASP B 76 40.145 34.505 48.069 1.00 17.97 O ATOM 1266 HA ASP B 76 41.075 32.373 50.983 1.00 0.00 H ATOM 1267 HB2 ASP B 76 41.297 32.022 48.030 1.00 0.00 H ATOM 1268 HB3 ASP B 76 39.702 32.027 48.818 1.00 0.00 H ATOM 1269 H ASP B 76 43.286 31.870 49.178 1.00 0.00 H ATOM 1270 N ALA B 77 39.756 30.125 51.020 1.00 10.37 N ATOM 1271 CA ALA B 77 39.343 28.797 51.446 1.00 9.12 C ATOM 1272 C ALA B 77 38.762 27.921 50.337 1.00 7.74 C ATOM 1273 O ALA B 77 38.034 28.400 49.469 1.00 8.41 O ATOM 1274 CB ALA B 77 38.360 28.922 52.588 1.00 9.27 C ATOM 1275 HA ALA B 77 40.250 28.284 51.766 1.00 0.00 H ATOM 1276 HB1 ALA B 77 38.836 29.441 53.420 1.00 0.00 H ATOM 1277 HB2 ALA B 77 37.489 29.487 52.256 1.00 0.00 H ATOM 1278 HB3 ALA B 77 38.049 27.928 52.909 1.00 0.00 H ATOM 1279 H ALA B 77 39.183 30.950 51.289 1.00 0.00 H ATOM 1280 N LEU B 78 39.079 26.631 50.390 1.00 7.71 N ATOM 1281 CA LEU B 78 38.449 25.638 49.514 1.00 7.10 C ATOM 1282 C LEU B 78 38.427 24.287 50.210 1.00 7.31 C ATOM 1283 O LEU B 78 39.464 23.797 50.657 1.00 8.57 O ATOM 1284 CB LEU B 78 39.179 25.533 48.167 1.00 7.00 C ATOM 1285 CG LEU B 78 38.695 24.434 47.225 1.00 6.50 C ATOM 1286 CD1 LEU B 78 37.271 24.687 46.738 1.00 8.77 C ATOM 1287 CD2 LEU B 78 39.667 24.375 46.059 1.00 6.94 C ATOM 1288 HA LEU B 78 37.428 25.959 49.310 1.00 0.00 H ATOM 1289 HB2 LEU B 78 39.067 26.487 47.652 1.00 0.00 H ATOM 1290 HB3 LEU B 78 40.234 25.355 48.373 1.00 0.00 H ATOM 1291 HG LEU B 78 38.668 23.481 47.753 1.00 0.00 H ATOM 1292 HD21 LEU B 78 39.679 25.338 45.549 1.00 0.00 H ATOM 1293 HD22 LEU B 78 40.666 24.147 46.431 1.00 0.00 H ATOM 1294 HD23 LEU B 78 39.351 23.598 45.363 1.00 0.00 H ATOM 1295 HD11 LEU B 78 36.597 24.725 47.594 1.00 0.00 H ATOM 1296 HD12 LEU B 78 37.235 25.636 46.203 1.00 0.00 H ATOM 1297 HD13 LEU B 78 36.968 23.880 46.071 1.00 0.00 H ATOM 1298 H LEU B 78 39.796 26.316 51.074 1.00 0.00 H ATOM 1299 N PHE B 79 37.235 23.705 50.310 1.00 6.46 N ATOM 1300 CA PHE B 79 37.047 22.399 50.939 1.00 7.08 C ATOM 1301 C PHE B 79 36.217 21.478 50.067 1.00 6.77 C ATOM 1302 O PHE B 79 35.296 21.921 49.378 1.00 7.14 O ATOM 1303 CB PHE B 79 36.297 22.529 52.266 1.00 7.18 C ATOM 1304 CG PHE B 79 36.959 23.454 53.230 1.00 7.02 C ATOM 1305 CD1 PHE B 79 38.098 23.059 53.914 1.00 9.10 C ATOM 1306 CD2 PHE B 79 36.488 24.747 53.394 1.00 6.60 C ATOM 1307 CE1 PHE B 79 38.727 23.929 54.789 1.00 9.22 C ATOM 1308 CE2 PHE B 79 37.107 25.616 54.261 1.00 6.95 C ATOM 1309 CZ PHE B 79 38.227 25.205 54.960 1.00 7.36 C ATOM 1310 HA PHE B 79 38.046 21.991 51.091 1.00 0.00 H ATOM 1311 HB2 PHE B 79 35.294 22.902 52.061 1.00 0.00 H ATOM 1312 HB3 PHE B 79 36.230 21.542 52.724 1.00 0.00 H ATOM 1313 HD2 PHE B 79 35.617 25.079 52.829 1.00 0.00 H ATOM 1314 HE2 PHE B 79 36.717 26.625 54.397 1.00 0.00 H ATOM 1315 HZ PHE B 79 38.718 25.892 55.650 1.00 0.00 H ATOM 1316 HE1 PHE B 79 39.612 23.609 55.339 1.00 0.00 H ATOM 1317 HD1 PHE B 79 38.501 22.058 53.762 1.00 0.00 H ATOM 1318 H PHE B 79 36.404 24.199 49.926 1.00 0.00 H ATOM 1319 N PHE B 80 36.528 20.186 50.135 1.00 6.76 N ATOM 1320 CA PHE B 80 35.667 19.136 49.606 1.00 6.74 C ATOM 1321 C PHE B 80 34.853 18.500 50.731 1.00 6.20 C ATOM 1322 O PHE B 80 35.341 18.393 51.851 1.00 6.54 O ATOM 1323 CB PHE B 80 36.490 17.998 48.985 1.00 7.02 C ATOM 1324 CG PHE B 80 37.005 18.252 47.588 1.00 5.47 C ATOM 1325 CD1 PHE B 80 36.630 19.367 46.838 1.00 5.93 C ATOM 1326 CD2 PHE B 80 37.823 17.296 47.001 1.00 5.12 C ATOM 1327 CE1 PHE B 80 37.111 19.528 45.547 1.00 6.57 C ATOM 1328 CE2 PHE B 80 38.292 17.445 45.711 1.00 5.59 C ATOM 1329 CZ PHE B 80 37.943 18.570 44.982 1.00 6.66 C ATOM 1330 HA PHE B 80 35.028 19.606 48.858 1.00 0.00 H ATOM 1331 HB2 PHE B 80 37.348 17.814 49.631 1.00 0.00 H ATOM 1332 HB3 PHE B 80 35.862 17.108 48.954 1.00 0.00 H ATOM 1333 HD2 PHE B 80 38.101 16.409 47.571 1.00 0.00 H ATOM 1334 HE2 PHE B 80 38.933 16.682 45.269 1.00 0.00 H ATOM 1335 HZ PHE B 80 38.320 18.703 43.968 1.00 0.00 H ATOM 1336 HE1 PHE B 80 36.834 20.412 44.972 1.00 0.00 H ATOM 1337 HD1 PHE B 80 35.959 20.112 47.266 1.00 0.00 H ATOM 1338 H PHE B 80 37.425 19.914 50.585 1.00 0.00 H ATOM 1339 N PHE B 81 33.670 17.991 50.385 1.00 6.52 N ATOM 1340 CA PHE B 81 32.888 17.131 51.267 1.00 6.81 C ATOM 1341 C PHE B 81 32.485 15.884 50.490 1.00 6.47 C ATOM 1342 O PHE B 81 31.962 15.984 49.379 1.00 6.97 O ATOM 1343 CB PHE B 81 31.614 17.829 51.729 1.00 6.80 C ATOM 1344 CG PHE B 81 31.862 19.129 52.426 1.00 8.02 C ATOM 1345 CD1 PHE B 81 32.032 20.295 51.698 1.00 8.51 C ATOM 1346 CD2 PHE B 81 31.962 19.177 53.807 1.00 8.10 C ATOM 1347 CE1 PHE B 81 32.275 21.504 52.340 1.00 9.52 C ATOM 1348 CE2 PHE B 81 32.206 20.386 54.452 1.00 8.61 C ATOM 1349 CZ PHE B 81 32.365 21.549 53.722 1.00 8.79 C ATOM 1350 HA PHE B 81 33.494 16.885 52.139 1.00 0.00 H ATOM 1351 HB2 PHE B 81 30.989 18.019 50.856 1.00 0.00 H ATOM 1352 HB3 PHE B 81 31.086 17.166 52.414 1.00 0.00 H ATOM 1353 HD2 PHE B 81 31.849 18.264 54.391 1.00 0.00 H ATOM 1354 HE2 PHE B 81 32.272 20.416 55.540 1.00 0.00 H ATOM 1355 HZ PHE B 81 32.560 22.494 54.229 1.00 0.00 H ATOM 1356 HE1 PHE B 81 32.395 22.417 51.756 1.00 0.00 H ATOM 1357 HD1 PHE B 81 31.975 20.264 50.610 1.00 0.00 H ATOM 1358 H PHE B 81 33.288 18.217 49.445 1.00 0.00 H ATOM 1359 N VAL B 82 32.748 14.726 51.079 1.00 6.32 N ATOM 1360 CA VAL B 82 32.272 13.448 50.560 1.00 7.58 C ATOM 1361 C VAL B 82 31.456 12.844 51.703 1.00 7.74 C ATOM 1362 O VAL B 82 31.959 12.694 52.824 1.00 7.52 O ATOM 1363 CB VAL B 82 33.435 12.521 50.157 1.00 7.78 C ATOM 1364 CG1 VAL B 82 32.903 11.171 49.684 1.00 9.47 C ATOM 1365 CG2 VAL B 82 34.292 13.162 49.070 1.00 9.74 C ATOM 1366 HA VAL B 82 31.682 13.578 49.653 1.00 0.00 H ATOM 1367 HB VAL B 82 34.060 12.363 51.036 1.00 0.00 H ATOM 1368 HG11 VAL B 82 32.338 10.702 50.490 1.00 0.00 H ATOM 1369 HG12 VAL B 82 32.253 11.320 48.822 1.00 0.00 H ATOM 1370 HG13 VAL B 82 33.739 10.530 49.404 1.00 0.00 H ATOM 1371 HG21 VAL B 82 33.677 13.355 48.191 1.00 0.00 H ATOM 1372 HG22 VAL B 82 34.704 14.101 49.440 1.00 0.00 H ATOM 1373 HG23 VAL B 82 35.105 12.486 48.805 1.00 0.00 H ATOM 1374 H VAL B 82 33.318 14.728 51.949 1.00 0.00 H ATOM 1375 N ASN B 83 30.187 12.546 51.431 1.00 8.64 N ATOM 1376 CA ASN B 83 29.240 12.150 52.471 1.00 9.39 C ATOM 1377 C ASN B 83 29.381 12.967 53.746 1.00 9.25 C ATOM 1378 O ASN B 83 29.428 12.430 54.855 1.00 9.69 O ATOM 1379 CB ASN B 83 29.332 10.659 52.758 1.00 9.80 C ATOM 1380 CG ASN B 83 28.808 9.821 51.606 1.00 10.63 C ATOM 1381 OD1 ASN B 83 29.359 8.766 51.293 1.00 14.39 O ATOM 1382 ND2 ASN B 83 27.750 10.297 50.952 1.00 10.54 N ATOM 1383 HA ASN B 83 28.245 12.363 52.080 1.00 0.00 H ATOM 1384 HB2 ASN B 83 30.376 10.399 52.936 1.00 0.00 H ATOM 1385 HB3 ASN B 83 28.746 10.436 53.650 1.00 0.00 H ATOM 1386 HD22 ASN B 83 27.315 11.193 51.250 1.00 0.00 H ATOM 1387 HD21 ASN B 83 27.359 9.772 50.143 1.00 0.00 H ATOM 1388 H ASN B 83 29.859 12.597 50.445 1.00 0.00 H ATOM 1389 N ASN B 84 29.402 14.280 53.544 1.00 9.33 N ATOM 1390 CA ASN B 84 29.405 15.277 54.610 1.00 9.57 C ATOM 1391 C ASN B 84 30.646 15.285 55.503 1.00 9.50 C ATOM 1392 O ASN B 84 30.634 15.851 56.600 1.00 10.19 O ATOM 1393 CB ASN B 84 28.110 15.251 55.429 1.00 10.32 C ATOM 1394 CG ASN B 84 27.699 16.634 55.887 1.00 11.76 C ATOM 1395 OD1 ASN B 84 28.069 17.643 55.279 1.00 14.04 O ATOM 1396 ND2 ASN B 84 26.942 16.690 56.971 1.00 8.80 N ATOM 1397 HA ASN B 84 29.453 16.228 54.079 1.00 0.00 H ATOM 1398 HB2 ASN B 84 27.313 14.833 54.814 1.00 0.00 H ATOM 1399 HB3 ASN B 84 28.260 14.620 56.305 1.00 0.00 H ATOM 1400 HD22 ASN B 84 26.655 15.813 57.450 1.00 0.00 H ATOM 1401 HD21 ASN B 84 26.635 17.611 57.344 1.00 0.00 H ATOM 1402 H ASN B 84 29.417 14.620 52.561 1.00 0.00 H ATOM 1403 N VAL B 85 31.730 14.699 55.006 1.00 8.33 N ATOM 1404 CA VAL B 85 33.000 14.705 55.729 1.00 7.77 C ATOM 1405 C VAL B 85 34.031 15.361 54.820 1.00 7.27 C ATOM 1406 O VAL B 85 34.079 15.065 53.628 1.00 6.66 O ATOM 1407 CB VAL B 85 33.450 13.271 56.076 1.00 8.33 C ATOM 1408 CG1 VAL B 85 34.862 13.272 56.630 1.00 9.94 C ATOM 1409 CG2 VAL B 85 32.474 12.606 57.054 1.00 8.49 C ATOM 1410 HA VAL B 85 32.892 15.250 56.667 1.00 0.00 H ATOM 1411 HB VAL B 85 33.447 12.685 55.157 1.00 0.00 H ATOM 1412 HG11 VAL B 85 35.543 13.685 55.886 1.00 0.00 H ATOM 1413 HG12 VAL B 85 34.896 13.881 57.533 1.00 0.00 H ATOM 1414 HG13 VAL B 85 35.158 12.250 56.868 1.00 0.00 H ATOM 1415 HG21 VAL B 85 32.429 13.190 57.974 1.00 0.00 H ATOM 1416 HG22 VAL B 85 31.483 12.561 56.602 1.00 0.00 H ATOM 1417 HG23 VAL B 85 32.818 11.597 57.279 1.00 0.00 H ATOM 1418 H VAL B 85 31.673 14.225 54.082 1.00 0.00 H ATOM 1419 N ILE B 86 34.845 16.262 55.363 1.00 7.26 N ATOM 1420 CA ILE B 86 35.985 16.801 54.633 1.00 7.02 C ATOM 1421 C ILE B 86 37.117 15.783 54.659 1.00 7.38 C ATOM 1422 O ILE B 86 37.645 15.485 55.737 1.00 7.60 O ATOM 1423 CB ILE B 86 36.504 18.110 55.269 1.00 6.83 C ATOM 1424 CG1 ILE B 86 35.419 19.187 55.308 1.00 7.62 C ATOM 1425 CG2 ILE B 86 37.700 18.629 54.483 1.00 6.06 C ATOM 1426 CD1 ILE B 86 35.793 20.401 56.151 1.00 7.47 C ATOM 1427 HA ILE B 86 35.660 17.011 53.614 1.00 0.00 H ATOM 1428 HB ILE B 86 36.799 17.885 56.294 1.00 0.00 H ATOM 1429 HG12 ILE B 86 35.228 19.521 54.288 1.00 0.00 H ATOM 1430 HG13 ILE B 86 34.511 18.747 55.721 1.00 0.00 H ATOM 1431 HD11 ILE B 86 35.976 20.086 57.178 1.00 0.00 H ATOM 1432 HD12 ILE B 86 36.694 20.861 55.744 1.00 0.00 H ATOM 1433 HD13 ILE B 86 34.975 21.121 56.131 1.00 0.00 H ATOM 1434 HG21 ILE B 86 38.494 17.882 54.497 1.00 0.00 H ATOM 1435 HG22 ILE B 86 37.400 18.823 53.453 1.00 0.00 H ATOM 1436 HG23 ILE B 86 38.059 19.552 54.938 1.00 0.00 H ATOM 1437 H ILE B 86 34.663 16.590 56.333 1.00 0.00 H ATOM 1438 N PRO B 87 37.487 15.232 53.489 1.00 7.50 N ATOM 1439 CA PRO B 87 38.582 14.262 53.484 1.00 8.34 C ATOM 1440 C PRO B 87 39.922 14.958 53.734 1.00 8.76 C ATOM 1441 O PRO B 87 40.051 16.153 53.450 1.00 9.52 O ATOM 1442 CB PRO B 87 38.537 13.695 52.060 1.00 8.71 C ATOM 1443 CG PRO B 87 37.966 14.801 51.236 1.00 9.23 C ATOM 1444 CD PRO B 87 37.000 15.535 52.130 1.00 7.33 C ATOM 1445 HA PRO B 87 38.483 13.502 54.259 1.00 0.00 H ATOM 1446 HD3 PRO B 87 37.028 16.607 51.936 1.00 0.00 H ATOM 1447 HD2 PRO B 87 35.983 15.168 51.990 1.00 0.00 H ATOM 1448 HG3 PRO B 87 37.445 14.396 50.368 1.00 0.00 H ATOM 1449 HG2 PRO B 87 38.758 15.472 50.903 1.00 0.00 H ATOM 1450 HB2 PRO B 87 39.538 13.435 51.716 1.00 0.00 H ATOM 1451 HB3 PRO B 87 37.899 12.812 52.016 1.00 0.00 H ATOM 1452 N PRO B 88 40.919 14.232 54.266 1.00 9.14 N ATOM 1453 CA PRO B 88 42.238 14.854 54.395 1.00 9.40 C ATOM 1454 C PRO B 88 42.830 15.155 53.021 1.00 9.49 C ATOM 1455 O PRO B 88 42.489 14.501 52.030 1.00 8.95 O ATOM 1456 CB PRO B 88 43.081 13.779 55.084 1.00 9.74 C ATOM 1457 CG PRO B 88 42.358 12.495 54.861 1.00 10.79 C ATOM 1458 CD PRO B 88 40.898 12.829 54.717 1.00 9.72 C ATOM 1459 HA PRO B 88 42.200 15.797 54.940 1.00 0.00 H ATOM 1460 HD3 PRO B 88 40.420 12.187 53.977 1.00 0.00 H ATOM 1461 HD2 PRO B 88 40.378 12.732 55.670 1.00 0.00 H ATOM 1462 HG3 PRO B 88 42.508 11.829 55.711 1.00 0.00 H ATOM 1463 HG2 PRO B 88 42.723 12.013 53.954 1.00 0.00 H ATOM 1464 HB2 PRO B 88 44.077 13.736 54.643 1.00 0.00 H ATOM 1465 HB3 PRO B 88 43.166 13.988 56.151 1.00 0.00 H ATOM 1466 N THR B 89 43.733 16.126 52.959 1.00 9.01 N ATOM 1467 CA THR B 89 44.371 16.444 51.682 1.00 9.00 C ATOM 1468 C THR B 89 45.143 15.276 51.070 1.00 8.73 C ATOM 1469 O THR B 89 45.329 15.227 49.849 1.00 9.04 O ATOM 1470 CB THR B 89 45.284 17.692 51.745 1.00 8.89 C ATOM 1471 OG1 THR B 89 46.252 17.535 52.794 1.00 9.28 O ATOM 1472 CG2 THR B 89 44.475 18.969 51.951 1.00 10.52 C ATOM 1473 HA THR B 89 43.529 16.668 51.026 1.00 0.00 H ATOM 1474 HB THR B 89 45.801 17.783 50.790 1.00 0.00 H ATOM 1475 HG1 THR B 89 46.832 18.336 52.829 1.00 0.00 H ATOM 1476 HG23 THR B 89 43.747 19.070 51.146 1.00 0.00 H ATOM 1477 HG21 THR B 89 43.956 18.918 52.908 1.00 0.00 H ATOM 1478 HG22 THR B 89 45.146 19.828 51.946 1.00 0.00 H ATOM 1479 H THR B 89 43.986 16.659 53.816 1.00 0.00 H ATOM 1480 N SER B 90 45.602 14.352 51.910 1.00 8.23 N ATOM 1481 CA SER B 90 46.363 13.202 51.433 1.00 7.49 C ATOM 1482 C SER B 90 45.503 12.113 50.789 1.00 8.19 C ATOM 1483 O SER B 90 46.030 11.237 50.104 1.00 7.82 O ATOM 1484 CB SER B 90 47.187 12.610 52.576 1.00 7.49 C ATOM 1485 OG SER B 90 46.331 12.317 53.663 1.00 4.64 O ATOM 1486 HA SER B 90 47.018 13.576 50.646 1.00 0.00 H ATOM 1487 HB2 SER B 90 47.944 13.329 52.891 1.00 0.00 H ATOM 1488 HB3 SER B 90 47.675 11.695 52.239 1.00 0.00 H ATOM 1489 HG SER B 90 45.645 11.664 53.375 1.00 0.00 H ATOM 1490 H SER B 90 45.414 14.451 52.928 1.00 0.00 H ATOM 1491 N ALA B 91 44.188 12.171 50.986 1.00 8.53 N ATOM 1492 CA ALA B 91 43.294 11.124 50.486 1.00 9.28 C ATOM 1493 C ALA B 91 43.326 11.113 48.964 1.00 8.85 C ATOM 1494 O ALA B 91 43.370 12.181 48.343 1.00 9.33 O ATOM 1495 CB ALA B 91 41.873 11.353 50.976 1.00 9.36 C ATOM 1496 HA ALA B 91 43.635 10.160 50.864 1.00 0.00 H ATOM 1497 HB1 ALA B 91 41.859 11.339 52.066 1.00 0.00 H ATOM 1498 HB2 ALA B 91 41.519 12.320 50.620 1.00 0.00 H ATOM 1499 HB3 ALA B 91 41.226 10.564 50.593 1.00 0.00 H ATOM 1500 H ALA B 91 43.787 12.977 51.506 1.00 0.00 H ATOM 1501 N THR B 92 43.314 9.929 48.355 1.00 8.62 N ATOM 1502 CA THR B 92 43.255 9.840 46.897 1.00 8.55 C ATOM 1503 C THR B 92 41.825 9.652 46.398 1.00 8.18 C ATOM 1504 O THR B 92 40.927 9.195 47.116 1.00 8.58 O ATOM 1505 CB THR B 92 44.115 8.703 46.320 1.00 8.44 C ATOM 1506 OG1 THR B 92 43.530 7.450 46.685 1.00 9.72 O ATOM 1507 CG2 THR B 92 45.563 8.775 46.817 1.00 8.96 C ATOM 1508 HA THR B 92 43.655 10.791 46.547 1.00 0.00 H ATOM 1509 HB THR B 92 44.142 8.805 45.235 1.00 0.00 H ATOM 1510 HG1 THR B 92 44.078 6.712 46.317 1.00 0.00 H ATOM 1511 HG23 THR B 92 45.996 9.734 46.532 1.00 0.00 H ATOM 1512 HG21 THR B 92 45.579 8.676 47.902 1.00 0.00 H ATOM 1513 HG22 THR B 92 46.140 7.967 46.368 1.00 0.00 H ATOM 1514 H THR B 92 43.347 9.058 48.923 1.00 0.00 H ATOM 1515 N MET B 93 41.624 10.023 45.140 1.00 7.48 N ATOM 1516 CA MET B 93 40.328 9.832 44.505 1.00 7.51 C ATOM 1517 C MET B 93 39.918 8.365 44.469 1.00 7.71 C ATOM 1518 O MET B 93 38.755 8.050 44.695 1.00 7.63 O ATOM 1519 CB MET B 93 40.351 10.410 43.099 1.00 7.92 C ATOM 1520 CG MET B 93 40.569 11.904 43.083 1.00 8.23 C ATOM 1521 SD MET B 93 39.165 12.807 43.764 1.00 12.55 S ATOM 1522 CE MET B 93 39.963 13.381 45.216 1.00 9.32 C ATOM 1523 HA MET B 93 39.585 10.359 45.103 1.00 0.00 H ATOM 1524 HB2 MET B 93 41.157 9.934 42.540 1.00 0.00 H ATOM 1525 HB3 MET B 93 39.398 10.192 42.617 1.00 0.00 H ATOM 1526 HG2 MET B 93 40.726 12.225 42.053 1.00 0.00 H ATOM 1527 HG3 MET B 93 41.455 12.136 43.674 1.00 0.00 H ATOM 1528 HE1 MET B 93 40.299 12.528 45.806 1.00 0.00 H ATOM 1529 HE2 MET B 93 40.821 13.994 44.939 1.00 0.00 H ATOM 1530 HE3 MET B 93 39.263 13.977 45.802 1.00 0.00 H ATOM 1531 H MET B 93 42.401 10.455 44.601 1.00 0.00 H ATOM 1532 N GLY B 94 40.875 7.476 44.223 1.00 7.06 N ATOM 1533 CA GLY B 94 40.615 6.037 44.249 1.00 6.98 C ATOM 1534 C GLY B 94 40.129 5.540 45.598 1.00 6.86 C ATOM 1535 O GLY B 94 39.188 4.744 45.680 1.00 6.91 O ATOM 1536 HA3 GLY B 94 41.538 5.514 43.999 1.00 0.00 H ATOM 1537 HA2 GLY B 94 39.855 5.809 43.501 1.00 0.00 H ATOM 1538 H GLY B 94 41.835 7.813 44.006 1.00 0.00 H ATOM 1539 N GLN B 95 40.766 6.002 46.667 1.00 6.58 N ATOM 1540 CA GLN B 95 40.368 5.617 48.018 1.00 7.68 C ATOM 1541 C GLN B 95 38.955 6.104 48.311 1.00 7.18 C ATOM 1542 O GLN B 95 38.110 5.344 48.794 1.00 7.85 O ATOM 1543 CB GLN B 95 41.355 6.181 49.043 1.00 7.85 C ATOM 1544 CG GLN B 95 42.750 5.562 48.972 1.00 11.60 C ATOM 1545 CD GLN B 95 43.844 6.411 49.596 1.00 14.09 C ATOM 1546 OE1 GLN B 95 43.601 7.501 50.116 1.00 14.16 O ATOM 1547 NE2 GLN B 95 45.070 5.904 49.548 1.00 16.59 N ATOM 1548 HA GLN B 95 40.380 4.529 48.090 1.00 0.00 H ATOM 1549 HB2 GLN B 95 41.447 7.254 48.875 1.00 0.00 H ATOM 1550 HB3 GLN B 95 40.952 6.004 50.040 1.00 0.00 H ATOM 1551 HG2 GLN B 95 42.725 4.603 49.490 1.00 0.00 H ATOM 1552 HG3 GLN B 95 42.999 5.401 47.923 1.00 0.00 H ATOM 1553 HE22 GLN B 95 45.233 4.980 49.100 1.00 0.00 H ATOM 1554 HE21 GLN B 95 45.867 6.431 49.959 1.00 0.00 H ATOM 1555 H GLN B 95 41.567 6.653 46.539 1.00 0.00 H ATOM 1556 N LEU B 96 38.691 7.370 47.998 1.00 6.58 N ATOM 1557 CA LEU B 96 37.357 7.930 48.219 1.00 7.03 C ATOM 1558 C LEU B 96 36.290 7.224 47.394 1.00 7.47 C ATOM 1559 O LEU B 96 35.179 6.979 47.882 1.00 7.57 O ATOM 1560 CB LEU B 96 37.336 9.434 47.940 1.00 6.50 C ATOM 1561 CG LEU B 96 38.202 10.243 48.907 1.00 6.35 C ATOM 1562 CD1 LEU B 96 38.409 11.636 48.338 1.00 8.84 C ATOM 1563 CD2 LEU B 96 37.575 10.318 50.294 1.00 7.65 C ATOM 1564 HA LEU B 96 37.121 7.766 49.270 1.00 0.00 H ATOM 1565 HB2 LEU B 96 37.699 9.603 46.926 1.00 0.00 H ATOM 1566 HB3 LEU B 96 36.308 9.786 48.019 1.00 0.00 H ATOM 1567 HG LEU B 96 39.164 9.743 49.018 1.00 0.00 H ATOM 1568 HD21 LEU B 96 36.598 10.796 50.224 1.00 0.00 H ATOM 1569 HD22 LEU B 96 37.460 9.311 50.694 1.00 0.00 H ATOM 1570 HD23 LEU B 96 38.220 10.901 50.952 1.00 0.00 H ATOM 1571 HD11 LEU B 96 38.907 11.562 47.371 1.00 0.00 H ATOM 1572 HD12 LEU B 96 37.442 12.124 48.213 1.00 0.00 H ATOM 1573 HD13 LEU B 96 39.026 12.219 49.022 1.00 0.00 H ATOM 1574 H LEU B 96 39.440 7.967 47.592 1.00 0.00 H ATOM 1575 N TYR B 97 36.637 6.890 46.156 1.00 7.72 N ATOM 1576 CA TYR B 97 35.693 6.180 45.305 1.00 7.82 C ATOM 1577 C TYR B 97 35.355 4.817 45.896 1.00 7.61 C ATOM 1578 O TYR B 97 34.187 4.426 45.993 1.00 7.47 O ATOM 1579 CB TYR B 97 36.244 6.016 43.885 1.00 8.99 C ATOM 1580 CG TYR B 97 35.237 5.339 42.974 1.00 6.76 C ATOM 1581 CD1 TYR B 97 35.147 3.945 42.883 1.00 8.47 C ATOM 1582 CD2 TYR B 97 34.352 6.107 42.222 1.00 8.29 C ATOM 1583 CE1 TYR B 97 34.195 3.343 42.073 1.00 8.08 C ATOM 1584 CE2 TYR B 97 33.398 5.507 41.406 1.00 6.62 C ATOM 1585 CZ TYR B 97 33.318 4.127 41.349 1.00 8.33 C ATOM 1586 OH TYR B 97 32.386 3.510 40.543 1.00 6.24 O ATOM 1587 HA TYR B 97 34.782 6.776 45.252 1.00 0.00 H ATOM 1588 HB3 TYR B 97 37.150 5.411 43.924 1.00 0.00 H ATOM 1589 HB2 TYR B 97 36.482 7.000 43.481 1.00 0.00 H ATOM 1590 HD2 TYR B 97 34.407 7.194 42.273 1.00 0.00 H ATOM 1591 HE2 TYR B 97 32.718 6.121 40.815 1.00 0.00 H ATOM 1592 HE1 TYR B 97 34.139 2.256 42.008 1.00 0.00 H ATOM 1593 HD1 TYR B 97 35.835 3.324 43.457 1.00 0.00 H ATOM 1594 HH TYR B 97 31.477 3.786 40.821 1.00 0.00 H ATOM 1595 H TYR B 97 37.581 7.135 45.795 1.00 0.00 H ATOM 1596 N GLN B 98 36.379 4.077 46.297 1.00 7.87 N ATOM 1597 CA GLN B 98 36.163 2.744 46.848 1.00 8.25 C ATOM 1598 C GLN B 98 35.202 2.797 48.033 1.00 7.53 C ATOM 1599 O GLN B 98 34.258 2.008 48.133 1.00 8.05 O ATOM 1600 CB GLN B 98 37.513 2.136 47.231 1.00 9.03 C ATOM 1601 CG GLN B 98 37.446 0.791 47.929 1.00 12.58 C ATOM 1602 CD GLN B 98 37.575 0.917 49.436 1.00 16.85 C ATOM 1603 OE1 GLN B 98 36.588 1.116 50.141 1.00 19.59 O ATOM 1604 NE2 GLN B 98 38.799 0.797 49.938 1.00 18.69 N ATOM 1605 HA GLN B 98 35.698 2.106 46.097 1.00 0.00 H ATOM 1606 HB2 GLN B 98 38.098 2.013 46.319 1.00 0.00 H ATOM 1607 HB3 GLN B 98 38.021 2.835 47.895 1.00 0.00 H ATOM 1608 HG2 GLN B 98 36.490 0.322 47.697 1.00 0.00 H ATOM 1609 HG3 GLN B 98 38.256 0.163 47.559 1.00 0.00 H ATOM 1610 HE22 GLN B 98 39.607 0.629 49.305 1.00 0.00 H ATOM 1611 HE21 GLN B 98 38.950 0.871 50.964 1.00 0.00 H ATOM 1612 H GLN B 98 37.346 4.451 46.218 1.00 0.00 H ATOM 1613 N GLU B 99 35.430 3.775 48.903 1.00 6.19 N ATOM 1614 CA GLU B 99 34.684 3.887 50.151 1.00 6.95 C ATOM 1615 C GLU B 99 33.284 4.458 49.954 1.00 6.73 C ATOM 1616 O GLU B 99 32.342 4.061 50.650 1.00 8.14 O ATOM 1617 CB GLU B 99 35.455 4.768 51.134 1.00 6.75 C ATOM 1618 CG GLU B 99 36.766 4.193 51.636 1.00 10.70 C ATOM 1619 CD GLU B 99 37.432 5.107 52.642 1.00 14.73 C ATOM 1620 OE1 GLU B 99 36.754 5.501 53.614 1.00 17.42 O ATOM 1621 OE2 GLU B 99 38.625 5.431 52.462 1.00 17.05 O ATOM 1622 HA GLU B 99 34.571 2.877 50.546 1.00 0.00 H ATOM 1623 HB2 GLU B 99 35.671 5.715 50.639 1.00 0.00 H ATOM 1624 HB3 GLU B 99 34.815 4.949 51.997 1.00 0.00 H ATOM 1625 HG2 GLU B 99 36.571 3.230 52.108 1.00 0.00 H ATOM 1626 HG3 GLU B 99 37.437 4.052 50.789 1.00 0.00 H ATOM 1627 H GLU B 99 36.162 4.482 48.688 1.00 0.00 H ATOM 1628 N HIS B 100 33.147 5.398 49.024 1.00 6.42 N ATOM 1629 CA HIS B 100 31.964 6.256 49.008 1.00 6.60 C ATOM 1630 C HIS B 100 31.188 6.299 47.696 1.00 6.60 C ATOM 1631 O HIS B 100 30.184 7.008 47.619 1.00 6.80 O ATOM 1632 CB HIS B 100 32.337 7.681 49.418 1.00 6.45 C ATOM 1633 CG HIS B 100 32.888 7.780 50.805 1.00 7.06 C ATOM 1634 ND1 HIS B 100 32.149 7.472 51.926 1.00 8.74 N ATOM 1635 CD2 HIS B 100 34.114 8.148 51.246 1.00 8.09 C ATOM 1636 CE1 HIS B 100 32.897 7.643 53.001 1.00 8.38 C ATOM 1637 NE2 HIS B 100 34.094 8.050 52.616 1.00 7.53 N ATOM 1638 HA HIS B 100 31.289 5.794 49.728 1.00 0.00 H ATOM 1639 HB2 HIS B 100 33.087 8.055 48.721 1.00 0.00 H ATOM 1640 HB3 HIS B 100 31.444 8.303 49.357 1.00 0.00 H ATOM 1641 HD2 HIS B 100 34.957 8.462 50.631 1.00 0.00 H ATOM 1642 HE1 HIS B 100 32.581 7.477 54.031 1.00 0.00 H ATOM 1643 H HIS B 100 33.886 5.524 48.303 1.00 0.00 H ATOM 1644 N HIS B 101 31.609 5.567 46.667 1.00 6.28 N ATOM 1645 CA HIS B 101 30.846 5.648 45.427 1.00 5.74 C ATOM 1646 C HIS B 101 29.396 5.232 45.660 1.00 6.15 C ATOM 1647 O HIS B 101 29.106 4.393 46.518 1.00 6.25 O ATOM 1648 CB HIS B 101 31.474 4.836 44.294 1.00 6.17 C ATOM 1649 CG HIS B 101 31.382 3.358 44.496 1.00 6.34 C ATOM 1650 ND1 HIS B 101 30.281 2.618 44.121 1.00 10.24 N ATOM 1651 CD2 HIS B 101 32.256 2.484 45.047 1.00 7.41 C ATOM 1652 CE1 HIS B 101 30.481 1.351 44.438 1.00 9.06 C ATOM 1653 NE2 HIS B 101 31.671 1.241 45.000 1.00 10.72 N ATOM 1654 HA HIS B 101 30.865 6.690 45.109 1.00 0.00 H ATOM 1655 HB2 HIS B 101 30.965 5.090 43.364 1.00 0.00 H ATOM 1656 HB3 HIS B 101 32.526 5.109 44.216 1.00 0.00 H ATOM 1657 HD2 HIS B 101 33.240 2.721 45.452 1.00 0.00 H ATOM 1658 HE1 HIS B 101 29.781 0.534 44.265 1.00 0.00 H ATOM 1659 H HIS B 101 32.450 4.960 46.744 1.00 0.00 H ATOM 1660 N GLU B 102 28.496 5.862 44.906 1.00 5.76 N ATOM 1661 CA GLU B 102 27.065 5.575 44.943 1.00 5.36 C ATOM 1662 C GLU B 102 26.703 4.391 44.044 1.00 5.27 C ATOM 1663 O GLU B 102 27.551 3.863 43.321 1.00 4.54 O ATOM 1664 CB GLU B 102 26.259 6.810 44.519 1.00 5.18 C ATOM 1665 CG GLU B 102 26.424 8.042 45.405 1.00 5.57 C ATOM 1666 CD GLU B 102 25.628 7.998 46.704 1.00 3.85 C ATOM 1667 OE1 GLU B 102 25.189 6.917 47.144 1.00 6.63 O ATOM 1668 OE2 GLU B 102 25.432 9.075 47.308 1.00 4.02 O ATOM 1669 HA GLU B 102 26.813 5.312 45.970 1.00 0.00 H ATOM 1670 HB2 GLU B 102 26.565 7.080 43.508 1.00 0.00 H ATOM 1671 HB3 GLU B 102 25.204 6.537 44.517 1.00 0.00 H ATOM 1672 HG2 GLU B 102 27.480 8.142 45.656 1.00 0.00 H ATOM 1673 HG3 GLU B 102 26.102 8.915 44.838 1.00 0.00 H ATOM 1674 H GLU B 102 28.832 6.600 44.254 1.00 0.00 H ATOM 1675 N GLU B 103 25.438 3.975 44.085 1.00 5.52 N ATOM 1676 CA GLU B 103 24.955 2.854 43.275 1.00 5.78 C ATOM 1677 C GLU B 103 24.879 3.179 41.787 1.00 5.52 C ATOM 1678 O GLU B 103 24.702 2.278 40.966 1.00 5.30 O ATOM 1679 CB GLU B 103 23.588 2.388 43.772 1.00 6.71 C ATOM 1680 CG GLU B 103 23.577 1.865 45.205 1.00 7.71 C ATOM 1681 CD GLU B 103 24.062 0.436 45.336 1.00 11.89 C ATOM 1682 OE1 GLU B 103 24.525 -0.147 44.333 1.00 13.44 O ATOM 1683 OE2 GLU B 103 23.962 -0.116 46.452 1.00 14.29 O ATOM 1684 HA GLU B 103 25.686 2.054 43.391 1.00 0.00 H ATOM 1685 HB2 GLU B 103 22.899 3.230 43.712 1.00 0.00 H ATOM 1686 HB3 GLU B 103 23.242 1.590 43.116 1.00 0.00 H ATOM 1687 HG2 GLU B 103 24.221 2.504 45.810 1.00 0.00 H ATOM 1688 HG3 GLU B 103 22.556 1.918 45.583 1.00 0.00 H ATOM 1689 H GLU B 103 24.770 4.463 44.714 1.00 0.00 H ATOM 1690 N ASP B 104 25.049 4.452 41.438 1.00 5.34 N ATOM 1691 CA ASP B 104 25.140 4.834 40.030 1.00 5.80 C ATOM 1692 C ASP B 104 26.576 4.818 39.510 1.00 5.87 C ATOM 1693 O ASP B 104 26.816 5.276 38.392 1.00 5.51 O ATOM 1694 CB ASP B 104 24.486 6.191 39.759 1.00 5.77 C ATOM 1695 CG ASP B 104 25.187 7.319 40.474 1.00 6.11 C ATOM 1696 OD1 ASP B 104 26.231 7.070 41.117 1.00 7.33 O ATOM 1697 OD2 ASP B 104 24.708 8.467 40.381 1.00 7.03 O ATOM 1698 HA ASP B 104 24.584 4.075 39.480 1.00 0.00 H ATOM 1699 HB2 ASP B 104 24.513 6.385 38.687 1.00 0.00 H ATOM 1700 HB3 ASP B 104 23.450 6.154 40.094 1.00 0.00 H ATOM 1701 H ASP B 104 25.118 5.183 42.175 1.00 0.00 H ATOM 1702 N PHE B 105 27.501 4.297 40.318 1.00 5.44 N ATOM 1703 CA PHE B 105 28.917 4.136 39.975 1.00 6.55 C ATOM 1704 C PHE B 105 29.707 5.454 39.986 1.00 6.60 C ATOM 1705 O PHE B 105 30.886 5.462 39.617 1.00 7.81 O ATOM 1706 CB PHE B 105 29.105 3.401 38.637 1.00 6.67 C ATOM 1707 CG PHE B 105 28.628 1.966 38.644 1.00 6.87 C ATOM 1708 CD1 PHE B 105 27.298 1.647 38.392 1.00 6.52 C ATOM 1709 CD2 PHE B 105 29.525 0.927 38.854 1.00 8.98 C ATOM 1710 CE1 PHE B 105 26.862 0.323 38.381 1.00 7.15 C ATOM 1711 CE2 PHE B 105 29.103 -0.398 38.841 1.00 7.77 C ATOM 1712 CZ PHE B 105 27.771 -0.702 38.607 1.00 9.15 C ATOM 1713 HA PHE B 105 29.334 3.517 40.770 1.00 0.00 H ATOM 1714 HB2 PHE B 105 28.551 3.942 37.869 1.00 0.00 H ATOM 1715 HB3 PHE B 105 30.167 3.407 38.390 1.00 0.00 H ATOM 1716 HD2 PHE B 105 30.576 1.154 39.032 1.00 0.00 H ATOM 1717 HE2 PHE B 105 29.821 -1.199 39.015 1.00 0.00 H ATOM 1718 HZ PHE B 105 27.439 -1.740 38.600 1.00 0.00 H ATOM 1719 HE1 PHE B 105 25.813 0.093 38.196 1.00 0.00 H ATOM 1720 HD1 PHE B 105 26.583 2.447 38.200 1.00 0.00 H ATOM 1721 H PHE B 105 27.195 3.982 41.261 1.00 0.00 H ATOM 1722 N PHE B 106 29.103 6.560 40.421 1.00 6.16 N ATOM 1723 CA PHE B 106 29.830 7.823 40.575 1.00 6.46 C ATOM 1724 C PHE B 106 30.206 8.122 42.023 1.00 6.72 C ATOM 1725 O PHE B 106 29.500 7.736 42.958 1.00 6.63 O ATOM 1726 CB PHE B 106 28.991 9.006 40.075 1.00 6.64 C ATOM 1727 CG PHE B 106 28.960 9.136 38.579 1.00 5.66 C ATOM 1728 CD1 PHE B 106 28.021 8.438 37.830 1.00 7.14 C ATOM 1729 CD2 PHE B 106 29.847 9.989 37.923 1.00 6.45 C ATOM 1730 CE1 PHE B 106 27.989 8.567 36.447 1.00 5.63 C ATOM 1731 CE2 PHE B 106 29.822 10.117 36.532 1.00 4.84 C ATOM 1732 CZ PHE B 106 28.881 9.405 35.793 1.00 5.91 C ATOM 1733 HA PHE B 106 30.738 7.703 39.984 1.00 0.00 H ATOM 1734 HB2 PHE B 106 27.969 8.878 40.431 1.00 0.00 H ATOM 1735 HB3 PHE B 106 29.407 9.923 40.492 1.00 0.00 H ATOM 1736 HD2 PHE B 106 30.569 10.563 38.503 1.00 0.00 H ATOM 1737 HE2 PHE B 106 30.535 10.770 36.028 1.00 0.00 H ATOM 1738 HZ PHE B 106 28.845 9.505 34.708 1.00 0.00 H ATOM 1739 HE1 PHE B 106 27.256 8.004 35.870 1.00 0.00 H ATOM 1740 HD1 PHE B 106 27.305 7.785 38.330 1.00 0.00 H ATOM 1741 H PHE B 106 28.091 6.526 40.657 1.00 0.00 H ATOM 1742 N LEU B 107 31.329 8.816 42.197 1.00 6.06 N ATOM 1743 CA LEU B 107 31.658 9.486 43.453 1.00 6.02 C ATOM 1744 C LEU B 107 31.149 10.925 43.413 1.00 6.31 C ATOM 1745 O LEU B 107 31.326 11.613 42.408 1.00 7.28 O ATOM 1746 CB LEU B 107 33.170 9.470 43.660 1.00 6.36 C ATOM 1747 CG LEU B 107 33.769 10.245 44.835 1.00 5.18 C ATOM 1748 CD1 LEU B 107 33.340 9.592 46.158 1.00 5.80 C ATOM 1749 CD2 LEU B 107 35.288 10.278 44.721 1.00 7.04 C ATOM 1750 HA LEU B 107 31.181 8.963 44.282 1.00 0.00 H ATOM 1751 HB2 LEU B 107 33.464 8.428 43.782 1.00 0.00 H ATOM 1752 HB3 LEU B 107 33.621 9.869 42.751 1.00 0.00 H ATOM 1753 HG LEU B 107 33.401 11.271 44.815 1.00 0.00 H ATOM 1754 HD21 LEU B 107 35.674 9.259 44.730 1.00 0.00 H ATOM 1755 HD22 LEU B 107 35.571 10.766 43.788 1.00 0.00 H ATOM 1756 HD23 LEU B 107 35.702 10.832 45.563 1.00 0.00 H ATOM 1757 HD11 LEU B 107 32.253 9.605 46.232 1.00 0.00 H ATOM 1758 HD12 LEU B 107 33.695 8.562 46.185 1.00 0.00 H ATOM 1759 HD13 LEU B 107 33.769 10.148 46.992 1.00 0.00 H ATOM 1760 H LEU B 107 32.000 8.884 41.406 1.00 0.00 H ATOM 1761 N TYR B 108 30.552 11.395 44.500 1.00 4.89 N ATOM 1762 CA TYR B 108 30.018 12.754 44.581 1.00 5.58 C ATOM 1763 C TYR B 108 30.808 13.590 45.575 1.00 5.51 C ATOM 1764 O TYR B 108 30.981 13.212 46.733 1.00 5.44 O ATOM 1765 CB TYR B 108 28.546 12.716 44.990 1.00 5.99 C ATOM 1766 CG TYR B 108 27.656 12.229 43.867 1.00 4.66 C ATOM 1767 CD1 TYR B 108 27.514 10.865 43.575 1.00 6.60 C ATOM 1768 CD2 TYR B 108 26.973 13.142 43.069 1.00 5.56 C ATOM 1769 CE1 TYR B 108 26.707 10.431 42.526 1.00 5.57 C ATOM 1770 CE2 TYR B 108 26.166 12.722 42.031 1.00 4.59 C ATOM 1771 CZ TYR B 108 26.042 11.371 41.758 1.00 4.71 C ATOM 1772 OH TYR B 108 25.242 10.980 40.713 1.00 5.65 O ATOM 1773 HA TYR B 108 30.107 13.213 43.597 1.00 0.00 H ATOM 1774 HB3 TYR B 108 28.234 13.721 45.276 1.00 0.00 H ATOM 1775 HB2 TYR B 108 28.435 12.046 45.843 1.00 0.00 H ATOM 1776 HD2 TYR B 108 27.077 14.209 43.267 1.00 0.00 H ATOM 1777 HE2 TYR B 108 25.628 13.453 41.428 1.00 0.00 H ATOM 1778 HE1 TYR B 108 26.601 9.367 42.313 1.00 0.00 H ATOM 1779 HD1 TYR B 108 28.045 10.130 44.180 1.00 0.00 H ATOM 1780 HH TYR B 108 25.253 9.993 40.642 1.00 0.00 H ATOM 1781 H TYR B 108 30.460 10.772 45.328 1.00 0.00 H ATOM 1782 N ILE B 109 31.266 14.745 45.102 1.00 5.04 N ATOM 1783 CA ILE B 109 32.091 15.666 45.878 1.00 5.75 C ATOM 1784 C ILE B 109 31.430 17.040 45.836 1.00 5.16 C ATOM 1785 O ILE B 109 31.180 17.582 44.750 1.00 5.23 O ATOM 1786 CB ILE B 109 33.511 15.772 45.283 1.00 5.15 C ATOM 1787 CG1 ILE B 109 34.207 14.403 45.314 1.00 6.05 C ATOM 1788 CG2 ILE B 109 34.324 16.836 46.027 1.00 7.51 C ATOM 1789 CD1 ILE B 109 35.597 14.408 44.701 1.00 10.69 C ATOM 1790 HA ILE B 109 32.176 15.299 46.901 1.00 0.00 H ATOM 1791 HB ILE B 109 33.437 16.082 44.241 1.00 0.00 H ATOM 1792 HG12 ILE B 109 34.290 14.083 46.353 1.00 0.00 H ATOM 1793 HG13 ILE B 109 33.591 13.691 44.764 1.00 0.00 H ATOM 1794 HD11 ILE B 109 35.531 14.715 43.657 1.00 0.00 H ATOM 1795 HD12 ILE B 109 36.231 15.107 45.247 1.00 0.00 H ATOM 1796 HD13 ILE B 109 36.023 13.406 44.761 1.00 0.00 H ATOM 1797 HG21 ILE B 109 33.827 17.802 45.935 1.00 0.00 H ATOM 1798 HG22 ILE B 109 34.399 16.564 47.080 1.00 0.00 H ATOM 1799 HG23 ILE B 109 35.322 16.897 45.594 1.00 0.00 H ATOM 1800 H ILE B 109 31.023 15.007 44.125 1.00 0.00 H ATOM 1801 N ALA B 110 31.117 17.594 47.005 1.00 4.77 N ATOM 1802 CA ALA B 110 30.707 18.989 47.097 1.00 4.46 C ATOM 1803 C ALA B 110 31.931 19.840 47.422 1.00 4.55 C ATOM 1804 O ALA B 110 32.820 19.384 48.141 1.00 4.76 O ATOM 1805 CB ALA B 110 29.634 19.148 48.174 1.00 5.69 C ATOM 1806 HA ALA B 110 30.283 19.317 46.148 1.00 0.00 H ATOM 1807 HB1 ALA B 110 28.770 18.536 47.917 1.00 0.00 H ATOM 1808 HB2 ALA B 110 30.036 18.827 49.135 1.00 0.00 H ATOM 1809 HB3 ALA B 110 29.334 20.194 48.235 1.00 0.00 H ATOM 1810 H ALA B 110 31.166 17.019 47.870 1.00 0.00 H ATOM 1811 N TYR B 111 31.988 21.060 46.897 1.00 4.82 N ATOM 1812 CA TYR B 111 33.051 21.983 47.276 1.00 5.25 C ATOM 1813 C TYR B 111 32.476 23.293 47.800 1.00 5.40 C ATOM 1814 O TYR B 111 31.384 23.728 47.399 1.00 5.66 O ATOM 1815 CB TYR B 111 34.074 22.195 46.152 1.00 5.48 C ATOM 1816 CG TYR B 111 33.641 23.066 44.986 1.00 5.87 C ATOM 1817 CD1 TYR B 111 32.922 22.557 43.905 1.00 7.16 C ATOM 1818 CD2 TYR B 111 33.969 24.417 44.954 1.00 7.05 C ATOM 1819 CE1 TYR B 111 32.545 23.364 42.836 1.00 6.29 C ATOM 1820 CE2 TYR B 111 33.599 25.234 43.890 1.00 6.72 C ATOM 1821 CZ TYR B 111 32.886 24.703 42.833 1.00 5.28 C ATOM 1822 OH TYR B 111 32.519 25.519 41.782 1.00 7.30 O ATOM 1823 HA TYR B 111 33.606 21.523 48.094 1.00 0.00 H ATOM 1824 HB3 TYR B 111 34.333 21.214 45.753 1.00 0.00 H ATOM 1825 HB2 TYR B 111 34.960 22.652 46.594 1.00 0.00 H ATOM 1826 HD2 TYR B 111 34.530 24.847 45.784 1.00 0.00 H ATOM 1827 HE2 TYR B 111 33.871 26.290 43.891 1.00 0.00 H ATOM 1828 HE1 TYR B 111 31.982 22.941 42.004 1.00 0.00 H ATOM 1829 HD1 TYR B 111 32.649 21.502 43.897 1.00 0.00 H ATOM 1830 HH TYR B 111 32.018 24.988 41.113 1.00 0.00 H ATOM 1831 H TYR B 111 31.267 21.359 46.209 1.00 0.00 H ATOM 1832 N SER B 112 33.219 23.923 48.701 1.00 5.87 N ATOM 1833 CA SER B 112 32.745 25.142 49.321 1.00 6.01 C ATOM 1834 C SER B 112 33.903 26.003 49.794 1.00 6.71 C ATOM 1835 O SER B 112 35.037 25.544 49.879 1.00 6.33 O ATOM 1836 CB SER B 112 31.898 24.785 50.542 1.00 6.06 C ATOM 1837 OG SER B 112 31.336 25.960 51.085 1.00 8.52 O ATOM 1838 HA SER B 112 32.164 25.694 48.582 1.00 0.00 H ATOM 1839 HB2 SER B 112 32.525 24.302 51.291 1.00 0.00 H ATOM 1840 HB3 SER B 112 31.100 24.104 50.245 1.00 0.00 H ATOM 1841 HG SER B 112 30.788 25.727 51.876 1.00 0.00 H ATOM 1842 H SER B 112 34.149 23.538 48.964 1.00 0.00 H ATOM 1843 N ASP B 113 33.592 27.255 50.121 1.00 8.50 N ATOM 1844 CA ASP B 113 34.542 28.150 50.771 1.00 9.73 C ATOM 1845 C ASP B 113 34.431 28.118 52.297 1.00 10.05 C ATOM 1846 O ASP B 113 35.133 28.870 52.973 1.00 11.54 O ATOM 1847 CB ASP B 113 34.338 29.578 50.257 1.00 9.38 C ATOM 1848 CG ASP B 113 33.032 30.182 50.724 1.00 12.95 C ATOM 1849 OD1 ASP B 113 31.995 29.490 50.656 1.00 11.95 O ATOM 1850 OD2 ASP B 113 33.041 31.344 51.188 1.00 16.79 O ATOM 1851 HA ASP B 113 35.544 27.802 50.519 1.00 0.00 H ATOM 1852 HB2 ASP B 113 35.159 30.199 50.616 1.00 0.00 H ATOM 1853 HB3 ASP B 113 34.346 29.562 49.167 1.00 0.00 H ATOM 1854 H ASP B 113 32.638 27.607 49.905 1.00 0.00 H ATOM 1855 N GLU B 114 33.549 27.275 52.835 1.00 10.18 N ATOM 1856 CA GLU B 114 33.345 27.126 54.280 1.00 11.28 C ATOM 1857 C GLU B 114 33.478 25.657 54.680 1.00 11.02 C ATOM 1858 O GLU B 114 33.175 24.772 53.877 1.00 11.38 O ATOM 1859 CB GLU B 114 31.951 27.625 54.676 1.00 12.25 C ATOM 1860 CG GLU B 114 31.747 29.128 54.545 1.00 15.26 C ATOM 1861 CD GLU B 114 32.459 29.928 55.615 1.00 19.15 C ATOM 1862 OE1 GLU B 114 32.908 29.341 56.625 1.00 21.54 O ATOM 1863 OE2 GLU B 114 32.558 31.160 55.443 1.00 22.07 O ATOM 1864 HA GLU B 114 34.102 27.718 54.795 1.00 0.00 H ATOM 1865 HB2 GLU B 114 31.219 27.127 54.040 1.00 0.00 H ATOM 1866 HB3 GLU B 114 31.775 27.348 55.715 1.00 0.00 H ATOM 1867 HG2 GLU B 114 32.121 29.444 53.571 1.00 0.00 H ATOM 1868 HG3 GLU B 114 30.679 29.339 54.609 1.00 0.00 H ATOM 1869 H GLU B 114 32.974 26.691 52.195 1.00 0.00 H ATOM 1870 N SER B 115 33.902 25.400 55.918 1.00 10.73 N ATOM 1871 CA SER B 115 34.177 24.033 56.364 1.00 10.56 C ATOM 1872 C SER B 115 32.944 23.292 56.855 1.00 10.26 C ATOM 1873 O SER B 115 33.033 22.126 57.230 1.00 10.94 O ATOM 1874 CB SER B 115 35.249 24.009 57.452 1.00 10.07 C ATOM 1875 OG SER B 115 34.758 24.630 58.622 1.00 9.45 O ATOM 1876 HA SER B 115 34.538 23.511 55.478 1.00 0.00 H ATOM 1877 HB2 SER B 115 36.132 24.543 57.102 1.00 0.00 H ATOM 1878 HB3 SER B 115 35.515 22.976 57.675 1.00 0.00 H ATOM 1879 HG SER B 115 33.957 24.144 58.941 1.00 0.00 H ATOM 1880 H SER B 115 34.040 26.189 56.582 1.00 0.00 H ATOM 1881 N VAL B 116 31.802 23.970 56.850 1.00 11.36 N ATOM 1882 CA VAL B 116 30.532 23.326 57.155 1.00 11.97 C ATOM 1883 C VAL B 116 29.643 23.449 55.938 1.00 12.90 C ATOM 1884 O VAL B 116 29.454 24.539 55.392 1.00 12.44 O ATOM 1885 CB VAL B 116 29.844 23.941 58.383 1.00 11.67 C ATOM 1886 CG1 VAL B 116 28.458 23.344 58.592 1.00 12.64 C ATOM 1887 CG2 VAL B 116 30.704 23.722 59.618 1.00 12.38 C ATOM 1888 HA VAL B 116 30.717 22.280 57.398 1.00 0.00 H ATOM 1889 HB VAL B 116 29.726 25.011 58.212 1.00 0.00 H ATOM 1890 HG11 VAL B 116 27.843 23.539 57.713 1.00 0.00 H ATOM 1891 HG12 VAL B 116 28.546 22.268 58.744 1.00 0.00 H ATOM 1892 HG13 VAL B 116 27.996 23.799 59.468 1.00 0.00 H ATOM 1893 HG21 VAL B 116 30.841 22.653 59.779 1.00 0.00 H ATOM 1894 HG22 VAL B 116 31.674 24.196 59.472 1.00 0.00 H ATOM 1895 HG23 VAL B 116 30.210 24.160 60.485 1.00 0.00 H ATOM 1896 H VAL B 116 31.815 24.985 56.623 1.00 0.00 H ATOM 1897 N TYR B 117 29.151 22.284 55.532 1.00 14.92 N ATOM 1898 CA TYR B 117 28.348 22.082 54.349 1.00 16.86 C ATOM 1899 C TYR B 117 27.016 22.745 54.650 1.00 18.01 C ATOM 1900 O TYR B 117 26.110 22.119 55.199 1.00 18.70 O ATOM 1901 CB TYR B 117 28.200 20.574 54.136 1.00 17.33 C ATOM 1902 CG TYR B 117 27.265 20.169 53.022 1.00 17.68 C ATOM 1903 CD1 TYR B 117 27.685 20.196 51.695 1.00 19.01 C ATOM 1904 CD2 TYR B 117 25.969 19.748 53.296 1.00 19.12 C ATOM 1905 CE1 TYR B 117 26.832 19.823 50.672 1.00 16.75 C ATOM 1906 CE2 TYR B 117 25.108 19.376 52.280 1.00 17.97 C ATOM 1907 CZ TYR B 117 25.545 19.418 50.971 1.00 17.85 C ATOM 1908 OH TYR B 117 24.679 19.043 49.972 1.00 16.85 O ATOM 1909 HA TYR B 117 28.780 22.504 53.442 1.00 0.00 H ATOM 1910 HB3 TYR B 117 27.829 20.137 55.063 1.00 0.00 H ATOM 1911 HB2 TYR B 117 29.186 20.167 53.913 1.00 0.00 H ATOM 1912 HD2 TYR B 117 25.625 19.710 54.330 1.00 0.00 H ATOM 1913 HE2 TYR B 117 24.093 19.052 52.511 1.00 0.00 H ATOM 1914 HE1 TYR B 117 27.173 19.848 49.637 1.00 0.00 H ATOM 1915 HD1 TYR B 117 28.700 20.515 51.459 1.00 0.00 H ATOM 1916 HH TYR B 117 25.132 19.126 49.096 1.00 0.00 H ATOM 1917 H TYR B 117 29.361 21.448 56.114 1.00 0.00 H ATOM 1918 N GLY B 118 26.948 24.034 54.329 1.00 19.15 N ATOM 1919 CA GLY B 118 25.802 24.878 54.659 1.00 19.42 C ATOM 1920 C GLY B 118 26.239 26.242 55.158 1.00 19.95 C ATOM 1921 O GLY B 118 26.044 27.257 54.484 1.00 20.24 O ATOM 1922 HA3 GLY B 118 25.214 24.389 55.435 1.00 0.00 H ATOM 1923 HA2 GLY B 118 25.189 25.007 53.767 1.00 0.00 H ATOM 1924 H GLY B 118 27.748 24.461 53.819 1.00 0.00 H TER 1925 GLY B 118 HETATM 1926 O HOH 1 44.377 16.050 58.693 1.00 33.49 O HETATM 1927 O HOH 2 42.170 3.686 32.971 1.00 7.80 O HETATM 1928 O HOH 3 33.858 23.130 60.663 1.00 12.73 O HETATM 1929 O HOH 4 44.013 23.951 36.834 1.00 11.53 O HETATM 1930 O HOH 5 29.630 9.497 46.563 1.00 12.68 O HETATM 1931 O HOH 6 47.852 16.637 48.452 1.00 11.08 O HETATM 1932 O HOH 7 23.693 5.066 46.241 1.00 16.60 O HETATM 1933 O HOH 8 35.090 17.034 32.220 1.00 11.28 O HETATM 1934 O HOH 9 34.981 22.836 34.388 1.00 13.06 O HETATM 1935 O HOH 10 17.598 0.576 36.238 1.00 10.77 O HETATM 1936 O HOH 11 31.052 21.931 39.246 1.00 15.18 O HETATM 1937 O HOH 12 14.738 13.792 43.327 1.00 15.42 O HETATM 1938 O HOH 13 36.293 4.854 35.571 1.00 16.86 O HETATM 1939 O HOH 14 35.202 27.854 57.323 1.00 17.17 O HETATM 1940 O HOH 15 14.310 14.777 40.665 1.00 17.07 O HETATM 1941 O HOH 16 25.758 25.630 51.262 1.00 21.83 O HETATM 1942 O HOH 17 46.489 27.069 42.215 1.00 17.72 O HETATM 1943 O HOH 18 25.446 -0.233 41.705 1.00 16.11 O HETATM 1944 O HOH 19 23.909 -2.265 37.737 1.00 16.35 O HETATM 1945 O HOH 20 25.072 -4.022 35.978 1.00 18.17 O HETATM 1946 O HOH 21 48.466 23.088 36.829 1.00 16.54 O HETATM 1947 O HOH 22 32.696 0.028 29.022 1.00 16.31 O HETATM 1948 O HOH 23 28.169 23.367 40.906 1.00 14.92 O HETATM 1949 O HOH 24 40.783 18.723 52.939 1.00 15.30 O HETATM 1950 O HOH 25 29.182 12.941 48.813 1.00 17.21 O HETATM 1951 O HOH 26 50.466 20.037 40.343 1.00 16.12 O HETATM 1952 O HOH 27 32.509 19.843 58.515 1.00 17.57 O HETATM 1953 O HOH 28 20.171 14.389 45.670 1.00 17.25 O HETATM 1954 O HOH 29 46.469 22.387 47.810 1.00 17.38 O HETATM 1955 O HOH 30 46.315 24.767 46.693 1.00 20.04 O HETATM 1956 O HOH 31 24.995 -2.478 40.192 1.00 18.25 O HETATM 1957 O HOH 32 27.595 10.674 48.170 1.00 17.18 O HETATM 1958 O HOH 33 23.343 8.350 42.927 1.00 20.02 O HETATM 1959 O HOH 34 48.850 9.230 45.323 1.00 20.30 O HETATM 1960 O HOH 35 23.138 18.137 32.418 1.00 17.30 O HETATM 1961 O HOH 36 39.289 23.915 29.063 1.00 19.36 O HETATM 1962 O HOH 37 44.827 23.327 50.007 1.00 22.60 O HETATM 1963 O HOH 38 34.089 17.127 58.063 1.00 21.28 O HETATM 1964 O HOH 39 44.047 17.642 55.874 1.00 21.76 O HETATM 1965 O HOH 40 19.817 -0.823 31.319 1.00 16.26 O HETATM 1966 O HOH 41 25.503 13.962 32.405 1.00 24.09 O HETATM 1967 O HOH 42 31.549 16.693 31.845 1.00 23.56 O HETATM 1968 O HOH 43 30.949 31.755 39.155 1.00 21.27 O HETATM 1969 O HOH 44 26.438 0.273 31.595 1.00 20.48 O HETATM 1970 O HOH 45 28.277 6.792 49.564 1.00 22.68 O HETATM 1971 O HOH 46 48.412 9.991 49.917 1.00 23.16 O HETATM 1972 O HOH 47 34.806 -1.565 28.340 1.00 21.19 O HETATM 1973 O HOH 48 38.883 3.003 43.492 1.00 23.46 O HETATM 1974 O HOH 49 26.019 29.233 37.488 1.00 27.60 O HETATM 1975 O HOH 50 43.778 27.483 52.310 1.00 32.06 O HETATM 1976 O HOH 51 25.667 10.563 34.581 1.00 30.24 O HETATM 1977 O HOH 52 46.373 15.258 55.038 1.00 23.44 O HETATM 1978 O HOH 53 29.420 25.034 52.715 1.00 27.42 O HETATM 1979 O HOH 54 28.955 15.409 50.800 1.00 26.39 O HETATM 1980 O HOH 55 29.766 8.625 28.389 1.00 26.50 O HETATM 1981 O HOH 56 38.636 -0.190 38.787 1.00 25.50 O HETATM 1982 O HOH 57 27.020 31.288 40.626 1.00 22.66 O HETATM 1983 O HOH 58 25.084 21.199 45.923 1.00 23.24 O HETATM 1984 O HOH 59 37.509 28.964 55.937 1.00 32.09 O HETATM 1985 O HOH 60 33.929 20.364 26.930 1.00 27.32 O HETATM 1986 O HOH 61 44.968 30.751 37.694 1.00 27.86 O HETATM 1987 O HOH 62 49.118 15.369 54.418 1.00 26.51 O HETATM 1988 O HOH 63 35.950 18.624 29.569 1.00 25.13 O HETATM 1989 O HOH 64 30.915 18.633 56.976 1.00 24.61 O HETATM 1990 O HOH 65 47.932 26.995 46.559 1.00 23.58 O HETATM 1991 O HOH 66 44.837 6.944 36.319 1.00 32.48 O HETATM 1992 O HOH 67 23.610 23.315 39.982 1.00 25.07 O HETATM 1993 O HOH 68 26.758 20.302 57.774 1.00 31.92 O HETATM 1994 O HOH 69 29.387 32.023 41.426 1.00 28.87 O HETATM 1995 O HOH 70 23.466 6.852 30.213 1.00 27.95 O HETATM 1996 O HOH 71 20.798 5.618 29.826 1.00 31.96 O HETATM 1997 O HOH 72 36.527 22.618 29.876 1.00 22.01 O HETATM 1998 O HOH 73 51.217 8.968 41.709 1.00 28.05 O HETATM 1999 O HOH 74 25.351 4.952 29.225 1.00 28.07 O HETATM 2000 O HOH 75 40.043 16.776 56.880 1.00 26.68 O HETATM 2001 O HOH 76 40.999 26.304 52.515 1.00 25.09 O HETATM 2002 O HOH 77 14.122 19.795 36.308 1.00 22.51 O HETATM 2003 O HOH 78 29.166 -3.999 36.812 1.00 24.13 O HETATM 2004 O HOH 79 46.883 28.456 44.547 1.00 23.29 O HETATM 2005 O HOH 80 49.948 9.854 52.164 1.00 27.89 O HETATM 2006 O HOH 81 30.585 24.596 39.961 1.00 23.58 O HETATM 2007 O HOH 82 14.112 16.146 37.479 1.00 32.03 O HETATM 2008 O HOH 83 28.826 14.722 29.383 1.00 31.31 O HETATM 2009 O HOH 84 34.674 24.531 29.557 1.00 29.82 O HETATM 2010 O HOH 85 27.378 2.165 46.880 1.00 29.77 O HETATM 2011 O HOH 86 45.114 31.200 41.131 1.00 27.01 O HETATM 2012 O HOH 87 36.610 -1.381 36.690 1.00 34.20 O HETATM 2013 O HOH 88 38.767 34.836 41.451 1.00 29.37 O HETATM 2014 O HOH 89 23.377 1.368 48.659 1.00 28.78 O HETATM 2015 O HOH 90 19.064 7.960 42.276 1.00 24.50 O HETATM 2016 O HOH 91 19.450 17.629 33.232 1.00 28.68 O HETATM 2017 O HOH 92 28.295 0.336 41.898 1.00 31.59 O HETATM 2018 O HOH 93 24.074 -0.283 30.623 1.00 33.42 O HETATM 2019 O HOH 94 33.754 -0.295 46.820 1.00 28.78 O HETATM 2020 O HOH 95 45.051 10.049 54.004 1.00 30.68 O HETATM 2021 O HOH 96 45.380 4.637 42.920 1.00 33.25 O HETATM 2022 O HOH 97 37.999 -2.950 33.102 1.00 31.92 O HETATM 2023 O HOH 98 39.046 -1.249 29.420 1.00 35.92 O HETATM 2024 O HOH 99 44.958 5.397 45.671 1.00 32.56 O HETATM 2025 O HOH 100 37.986 -0.459 22.634 1.00 32.15 O HETATM 2026 O HOH 101 35.299 12.163 53.166 1.00 29.54 O HETATM 2027 O HOH 102 34.252 32.226 56.973 1.00 35.29 O HETATM 2028 O HOH 103 47.182 19.737 54.307 1.00 28.57 O HETATM 2029 O HOH 104 37.400 11.132 54.493 1.00 21.54 O HETATM 2030 O HOH 105 25.846 2.658 49.116 1.00 35.12 O HETATM 2031 O HOH 106 35.748 32.176 43.323 1.00 33.35 O HETATM 2032 O HOH 107 27.655 0.059 44.947 1.00 36.82 O HETATM 2033 O HOH 108 29.147 23.187 37.027 1.00 30.80 O HETATM 2034 O HOH 109 50.632 12.161 54.264 1.00 39.77 O HETATM 2035 O HOH 110 29.676 5.948 52.178 1.00 36.86 O HETATM 2036 O HOH 111 25.987 18.974 47.640 1.00 25.12 O HETATM 2037 O HOH 112 39.464 33.808 45.583 1.00 30.32 O HETATM 2038 O HOH 113 26.012 30.005 43.171 1.00 36.43 O HETATM 2039 O HOH 114 48.403 28.328 40.618 1.00 31.82 O HETATM 2040 O HOH 115 31.978 24.287 29.265 1.00 31.63 O HETATM 2041 O HOH 116 44.739 29.893 45.189 1.00 28.91 O HETATM 2042 O HOH 117 33.196 17.538 29.973 1.00 34.03 O HETATM 2043 O HOH 118 46.010 6.844 38.859 1.00 39.06 O HETATM 2044 O HOH 119 34.571 5.332 54.961 1.00 37.48 O HETATM 2045 O HOH 120 25.398 16.390 31.493 1.00 32.60 O HETATM 2046 O HOH 121 42.564 26.707 30.372 1.00 25.47 O HETATM 2047 O HOH 122 29.787 11.297 24.413 1.00 22.63 O HETATM 2048 O HOH 123 43.552 25.457 34.394 1.00 11.97 O HETATM 2049 O HOH 124 36.984 19.018 32.081 1.00 10.98 O HETATM 2050 O HOH 125 32.641 14.651 26.998 1.00 28.39 O HETATM 2051 O HOH 126 38.954 11.498 29.014 1.00 10.20 O HETATM 2052 O HOH 127 42.102 17.220 28.210 1.00 8.16 O HETATM 2053 O HOH 128 46.098 22.729 35.555 1.00 10.50 O HETATM 2054 O HOH 129 39.676 18.630 31.725 1.00 10.46 O HETATM 2055 O HOH 130 37.095 14.173 26.193 1.00 10.70 O HETATM 2056 O HOH 131 41.127 21.812 28.655 1.00 10.62 O HETATM 2057 O HOH 132 36.640 21.706 32.529 1.00 11.16 O HETATM 2058 O HOH 133 42.516 24.421 32.003 1.00 15.07 O HETATM 2059 O HOH 134 50.108 10.592 47.477 1.00 18.32 O HETATM 2060 O HOH 135 45.758 23.733 32.990 1.00 14.73 O HETATM 2061 O HOH 136 49.816 20.883 37.816 1.00 13.20 O HETATM 2062 O HOH 137 42.490 11.014 34.578 1.00 14.58 O HETATM 2063 O HOH 138 40.321 19.186 29.051 1.00 8.69 O HETATM 2064 O HOH 139 52.062 21.239 36.336 1.00 14.47 O HETATM 2065 O HOH 140 35.110 16.611 28.386 1.00 19.50 O HETATM 2066 O HOH 141 52.098 15.652 34.188 1.00 24.27 O HETATM 2067 O HOH 142 51.771 17.867 32.825 1.00 21.21 O HETATM 2068 O HOH 143 52.576 20.278 33.895 1.00 23.28 O HETATM 2069 O HOH 144 30.894 10.987 26.963 1.00 27.25 O HETATM 2070 N ASP A 145 51.465 11.676 44.989 1.00 0.24 N HETATM 2071 CA ASP A 145 50.866 11.616 43.631 1.00 0.08 C HETATM 2072 CB ASP A 145 49.441 12.191 43.589 1.00 0.06 C HETATM 2073 CG ASP A 145 49.285 13.518 44.335 1.00 0.04 C HETATM 2074 OD1 ASP A 145 50.156 13.885 45.155 1.00 -0.57 O HETATM 2075 OD2 ASP A 145 48.236 14.162 44.128 1.00 -0.57 O HETATM 2076 H5 ASP A 145 48.758 11.457 44.042 1.00 0.05 H HETATM 2077 H6 ASP A 145 49.163 12.351 42.537 1.00 0.05 H HETATM 2078 C ASP A 145 51.742 12.320 42.601 1.00 0.23 C HETATM 2079 O ASP A 145 52.425 13.296 42.910 1.00 -0.39 O HETATM 2080 N ASP A 145 51.724 11.784 41.385 1.00 -0.26 N HETATM 2081 CA ASP A 145 52.327 12.404 40.212 1.00 0.13 C HETATM 2082 CB ASP A 145 52.108 11.515 39.000 1.00 -0.02 C HETATM 2083 H9 ASP A 145 52.563 11.983 38.115 1.00 0.03 H HETATM 2084 H10 ASP A 145 51.029 11.384 38.831 1.00 0.03 H HETATM 2085 H11 ASP A 145 52.573 10.534 39.176 1.00 0.03 H HETATM 2086 C ASP A 145 51.717 13.777 39.959 1.00 0.20 C HETATM 2087 O ASP A 145 50.667 14.114 40.519 1.00 -0.39 O HETATM 2088 N ASP A 145 52.398 14.552 39.121 1.00 -0.26 N HETATM 2089 CA ASP A 145 51.910 15.848 38.673 1.00 0.16 C HETATM 2090 CB ASP A 145 53.042 16.624 37.980 1.00 0.09 C HETATM 2091 CG2 ASP A 145 52.552 17.967 37.426 1.00 -0.03 C HETATM 2092 H16 ASP A 145 53.389 18.490 36.940 1.00 0.03 H HETATM 2093 H17 ASP A 145 52.163 18.584 38.250 1.00 0.03 H HETATM 2094 H18 ASP A 145 51.753 17.791 36.691 1.00 0.03 H HETATM 2095 OG1 ASP A 145 54.115 16.826 38.912 1.00 -0.39 O HETATM 2096 H15 ASP A 145 54.406 15.985 39.245 1.00 0.21 H HETATM 2097 H14 ASP A 145 53.414 16.020 37.139 1.00 0.06 H HETATM 2098 C ASP A 145 50.774 15.631 37.677 1.00 0.21 C HETATM 2099 O ASP A 145 50.926 14.937 36.668 1.00 -0.39 O HETATM 2100 N ASP A 145 49.636 16.245 37.968 1.00 -0.26 N HETATM 2101 CA ASP A 145 48.525 16.287 37.034 1.00 0.14 C HETATM 2102 CB ASP A 145 47.336 15.530 37.617 1.00 0.02 C HETATM 2103 CG ASP A 145 47.616 14.069 37.816 1.00 -0.05 C HETATM 2104 CD1 ASP A 145 47.841 13.240 36.729 1.00 -0.07 C HETATM 2105 CE1 ASP A 145 48.093 11.898 36.896 1.00 -0.04 C HETATM 2106 CZ ASP A 145 48.138 11.369 38.170 1.00 0.08 C HETATM 2107 CE2 ASP A 145 47.921 12.173 39.278 1.00 -0.04 C HETATM 2108 CD2 ASP A 145 47.672 13.521 39.098 1.00 -0.07 C HETATM 2109 H24 ASP A 145 47.519 14.158 39.961 1.00 0.05 H HETATM 2110 H26 ASP A 145 47.946 11.749 40.275 1.00 0.05 H HETATM 2111 OH ASP A 145 48.396 10.024 38.289 1.00 -0.34 O HETATM 2112 H27 ASP A 145 47.664 9.600 38.722 1.00 0.25 H HETATM 2113 H25 ASP A 145 48.255 11.261 36.034 1.00 0.05 H HETATM 2114 H23 ASP A 145 47.818 13.656 35.728 1.00 0.05 H HETATM 2115 H21 ASP A 145 46.483 15.634 36.931 1.00 0.05 H HETATM 2116 H22 ASP A 145 47.080 15.974 38.590 1.00 0.05 H HETATM 2117 C ASP A 145 48.131 17.725 36.773 1.00 0.21 C HETATM 2118 O ASP A 145 48.412 18.623 37.557 1.00 -0.39 O HETATM 2119 N ASP A 145 47.487 17.947 35.637 1.00 -0.26 N HETATM 2120 CA ASP A 145 46.921 19.246 35.321 1.00 0.16 C HETATM 2121 CB ASP A 145 47.569 19.857 34.058 1.00 0.09 C HETATM 2122 CG2 ASP A 145 49.087 19.995 34.224 1.00 -0.03 C HETATM 2123 H32 ASP A 145 49.517 20.432 33.311 1.00 0.03 H HETATM 2124 H33 ASP A 145 49.528 19.003 34.399 1.00 0.03 H HETATM 2125 H34 ASP A 145 49.304 20.650 35.081 1.00 0.03 H HETATM 2126 OG1 ASP A 145 47.271 19.034 32.920 1.00 -0.39 O HETATM 2127 H31 ASP A 145 46.329 18.955 32.826 1.00 0.21 H HETATM 2128 H30 ASP A 145 47.143 20.858 33.894 1.00 0.06 H HETATM 2129 C ASP A 145 45.420 19.096 35.101 1.00 0.21 C HETATM 2130 O ASP A 145 44.892 17.986 35.064 1.00 -0.39 O HETATM 2131 N ASP A 145 44.744 20.230 34.921 1.00 -0.26 N HETATM 2132 CA ASP A 145 43.308 20.237 34.698 1.00 0.14 C HETATM 2133 CB ASP A 145 42.813 21.654 34.408 1.00 0.00 C HETATM 2134 CG ASP A 145 41.335 21.736 34.494 1.00 -0.04 C HETATM 2135 CD1 ASP A 145 40.430 21.727 33.469 1.00 0.02 C HETATM 2136 NE1 ASP A 145 39.158 21.749 33.982 1.00 -0.29 N HETATM 2137 CE2 ASP A 145 39.218 21.745 35.352 1.00 0.06 C HETATM 2138 CD2 ASP A 145 40.582 21.738 35.707 1.00 -0.02 C HETATM 2139 CE3 ASP A 145 40.939 21.741 37.061 1.00 -0.07 C HETATM 2140 CZ3 ASP A 145 39.933 21.753 38.015 1.00 -0.08 C HETATM 2141 CH2 ASP A 145 38.577 21.766 37.631 1.00 -0.08 C HETATM 2142 CZ2 ASP A 145 38.200 21.768 36.310 1.00 -0.04 C HETATM 2143 H42 ASP A 145 37.155 21.787 36.022 1.00 0.05 H HETATM 2144 H44 ASP A 145 37.811 21.775 38.398 1.00 0.05 H HETATM 2145 H43 ASP A 145 40.192 21.752 39.068 1.00 0.05 H HETATM 2146 H41 ASP A 145 41.982 21.734 37.358 1.00 0.05 H HETATM 2147 H40 ASP A 145 38.292 21.766 33.425 1.00 0.22 H HETATM 2148 H39 ASP A 145 40.680 21.706 32.409 1.00 0.08 H HETATM 2149 H37 ASP A 145 43.130 21.944 33.395 1.00 0.04 H HETATM 2150 H38 ASP A 145 43.254 22.345 35.142 1.00 0.04 H HETATM 2151 C ASP A 145 42.921 19.332 33.533 1.00 0.21 C HETATM 2152 O ASP A 145 41.884 18.666 33.558 1.00 -0.39 O HETATM 2153 N ASP A 145 43.769 19.310 32.507 1.00 -0.26 N HETATM 2154 CA ASP A 145 43.523 18.515 31.303 1.00 0.13 C HETATM 2155 CB ASP A 145 44.544 18.924 30.237 1.00 -0.00 C HETATM 2156 CG ASP A 145 44.248 20.268 29.570 1.00 0.00 C HETATM 2157 CD ASP A 145 44.130 21.443 30.536 1.00 0.04 C HETATM 2158 OE2 ASP A 145 43.092 22.149 30.509 1.00 -0.57 O HETATM 2159 OE1 ASP A 145 45.069 21.676 31.321 1.00 -0.57 O HETATM 2160 H49 ASP A 145 43.299 20.178 29.022 1.00 0.04 H HETATM 2161 H50 ASP A 145 45.061 20.486 28.862 1.00 0.04 H HETATM 2162 H47 ASP A 145 44.559 18.148 29.458 1.00 0.03 H HETATM 2163 H48 ASP A 145 45.534 18.985 30.713 1.00 0.03 H HETATM 2164 C ASP A 145 43.483 16.990 31.521 1.00 0.20 C HETATM 2165 O ASP A 145 42.934 16.258 30.689 1.00 -0.39 O HETATM 2166 N ASP A 145 44.018 16.507 32.642 1.00 -0.26 N HETATM 2167 CA ASP A 145 43.950 15.085 32.972 1.00 0.14 C HETATM 2168 CB ASP A 145 44.953 14.715 34.067 1.00 0.04 C HETATM 2169 CG ASP A 145 46.369 14.609 33.608 1.00 0.06 C HETATM 2170 ND1 ASP A 145 47.297 15.600 33.840 1.00 -0.26 N HETATM 2171 CE1 ASP A 145 48.466 15.228 33.348 1.00 0.09 C HETATM 2172 NE2 ASP A 145 48.335 14.016 32.839 1.00 -0.34 N HETATM 2173 CD2 ASP A 145 47.036 13.604 32.993 1.00 -0.03 C HETATM 2174 H56 ASP A 145 46.619 12.648 32.679 1.00 0.03 H HETATM 2175 H57 ASP A 145 49.380 15.819 33.360 1.00 0.11 H HETATM 2176 H55 ASP A 145 47.109 16.491 34.321 1.00 0.24 H HETATM 2177 H53 ASP A 145 44.656 13.743 34.489 1.00 0.05 H HETATM 2178 H54 ASP A 145 44.904 15.485 34.851 1.00 0.05 H HETATM 2179 C ASP A 145 42.569 14.724 33.507 1.00 0.21 C HETATM 2180 O ASP A 145 42.289 13.540 33.672 1.00 -0.39 O HETATM 2181 N ASP A 145 41.716 15.708 33.784 1.00 -0.26 N HETATM 2182 CA ASP A 145 40.437 15.463 34.451 1.00 0.13 C HETATM 2183 CB ASP A 145 40.150 16.591 35.449 1.00 -0.01 C HETATM 2184 CG ASP A 145 41.291 17.003 36.386 1.00 -0.04 C HETATM 2185 CD1 ASP A 145 40.794 18.080 37.350 1.00 -0.06 C HETATM 2186 H63 ASP A 145 41.612 18.376 38.023 1.00 0.02 H HETATM 2187 H64 ASP A 145 39.957 17.683 37.943 1.00 0.02 H HETATM 2188 H65 ASP A 145 40.455 18.956 36.778 1.00 0.02 H HETATM 2189 CD2 ASP A 145 41.867 15.803 37.150 1.00 -0.06 C HETATM 2190 H66 ASP A 145 42.216 15.045 36.433 1.00 0.02 H HETATM 2191 H67 ASP A 145 41.087 15.368 37.792 1.00 0.02 H HETATM 2192 H68 ASP A 145 42.711 16.135 37.772 1.00 0.02 H HETATM 2193 H62 ASP A 145 42.099 17.432 35.775 1.00 0.03 H HETATM 2194 H60 ASP A 145 39.305 16.271 36.077 1.00 0.03 H HETATM 2195 H61 ASP A 145 39.860 17.480 34.870 1.00 0.03 H HETATM 2196 C ASP A 145 39.254 15.317 33.490 1.00 0.20 C HETATM 2197 O ASP A 145 38.120 15.121 33.936 1.00 -0.39 O HETATM 2198 N ASP A 145 39.512 15.418 32.189 1.00 -0.26 N HETATM 2199 CA ASP A 145 38.450 15.545 31.202 1.00 0.13 C HETATM 2200 CB ASP A 145 39.079 15.780 29.840 1.00 -0.02 C HETATM 2201 H71 ASP A 145 38.287 15.878 29.083 1.00 0.03 H HETATM 2202 H72 ASP A 145 39.728 14.930 29.584 1.00 0.03 H HETATM 2203 H73 ASP A 145 39.677 16.703 29.867 1.00 0.03 H HETATM 2204 C ASP A 145 37.526 14.337 31.138 1.00 0.20 C HETATM 2205 O ASP A 145 37.986 13.212 30.969 1.00 -0.39 O HETATM 2206 N ASP A 145 36.223 14.582 31.211 1.00 -0.26 N HETATM 2207 CA ASP A 145 35.256 13.530 30.900 1.00 0.14 C HETATM 2208 CB ASP A 145 33.819 14.039 31.097 1.00 0.00 C HETATM 2209 CG ASP A 145 32.852 12.914 31.078 1.00 -0.04 C HETATM 2210 CD1 ASP A 145 32.012 12.558 30.060 1.00 0.02 C HETATM 2211 NE1 ASP A 145 31.319 11.421 30.404 1.00 -0.29 N HETATM 2212 CE2 ASP A 145 31.707 11.017 31.656 1.00 0.06 C HETATM 2213 CD2 ASP A 145 32.679 11.933 32.106 1.00 -0.02 C HETATM 2214 CE3 ASP A 145 33.255 11.747 33.370 1.00 -0.07 C HETATM 2215 CZ3 ASP A 145 32.834 10.673 34.140 1.00 -0.08 C HETATM 2216 CH2 ASP A 145 31.867 9.768 33.663 1.00 -0.08 C HETATM 2217 CZ2 ASP A 145 31.285 9.927 32.433 1.00 -0.04 C HETATM 2218 H81 ASP A 145 30.529 9.238 32.074 1.00 0.05 H HETATM 2219 H83 ASP A 145 31.577 8.927 34.282 1.00 0.05 H HETATM 2220 H82 ASP A 145 33.257 10.528 35.127 1.00 0.05 H HETATM 2221 H80 ASP A 145 34.014 12.428 33.738 1.00 0.05 H HETATM 2222 H79 ASP A 145 30.619 10.948 29.815 1.00 0.22 H HETATM 2223 H78 ASP A 145 31.907 13.094 29.118 1.00 0.08 H HETATM 2224 H76 ASP A 145 33.571 14.741 30.287 1.00 0.04 H HETATM 2225 H77 ASP A 145 33.750 14.557 32.065 1.00 0.04 H HETATM 2226 C ASP A 145 35.480 13.086 29.447 1.00 0.21 C HETATM 2227 O ASP A 145 35.641 13.925 28.562 1.00 -0.39 O HETATM 2228 N ASP A 145 35.509 11.774 29.175 1.00 -0.25 N HETATM 2229 CA ASP A 145 35.802 11.308 27.815 1.00 0.14 C HETATM 2230 C ASP A 145 34.628 11.526 26.867 1.00 0.26 C HETATM 2231 O ASP A 145 33.495 11.731 27.305 1.00 -0.37 O HETATM 2232 O1 ASP A 145 34.829 11.495 25.553 1.00 -0.29 O HETATM 2233 H91 ASP A 145 34.302 10.803 25.169 1.00 0.25 H HETATM 2234 CB ASP A 145 36.091 9.818 28.015 1.00 -0.01 C HETATM 2235 CG ASP A 145 35.299 9.437 29.228 1.00 -0.03 C HETATM 2236 CD ASP A 145 35.357 10.655 30.126 1.00 0.04 C HETATM 2237 H89 ASP A 145 34.431 10.758 30.710 1.00 0.05 H HETATM 2238 H90 ASP A 145 36.217 10.600 30.809 1.00 0.05 H HETATM 2239 H87 ASP A 145 34.259 9.206 28.955 1.00 0.03 H HETATM 2240 H88 ASP A 145 35.749 8.566 29.727 1.00 0.03 H HETATM 2241 H85 ASP A 145 37.165 9.650 28.184 1.00 0.03 H HETATM 2242 H86 ASP A 145 35.763 9.238 27.140 1.00 0.03 H HETATM 2243 H84 ASP A 145 36.686 11.825 27.412 1.00 0.08 H HETATM 2244 H75 ASP A 145 35.423 12.674 31.570 1.00 0.08 H HETATM 2245 H74 ASP A 145 35.901 15.490 31.480 1.00 0.19 H HETATM 2246 H70 ASP A 145 37.841 16.421 31.468 1.00 0.08 H HETATM 2247 H69 ASP A 145 40.463 15.406 31.880 1.00 0.19 H HETATM 2248 H59 ASP A 145 40.530 14.520 35.010 1.00 0.08 H HETATM 2249 H58 ASP A 145 41.957 16.644 33.528 1.00 0.19 H HETATM 2250 H52 ASP A 145 44.162 14.500 32.065 1.00 0.08 H HETATM 2251 H51 ASP A 145 44.477 17.133 33.273 1.00 0.19 H HETATM 2252 H46 ASP A 145 42.527 18.797 30.932 1.00 0.08 H HETATM 2253 H45 ASP A 145 44.605 19.857 32.561 1.00 0.19 H HETATM 2254 H36 ASP A 145 42.815 19.868 35.609 1.00 0.08 H HETATM 2255 H35 ASP A 145 45.238 21.099 34.940 1.00 0.19 H HETATM 2256 H29 ASP A 145 47.096 19.924 36.169 1.00 0.08 H HETATM 2257 H28 ASP A 145 47.388 17.200 34.980 1.00 0.19 H HETATM 2258 H20 ASP A 145 48.828 15.816 36.087 1.00 0.08 H HETATM 2259 H19 ASP A 145 49.540 16.693 38.857 1.00 0.19 H HETATM 2260 H13 ASP A 145 51.544 16.423 39.536 1.00 0.08 H HETATM 2261 H12 ASP A 145 53.283 14.231 38.784 1.00 0.19 H HETATM 2262 H8 ASP A 145 53.407 12.520 40.384 1.00 0.08 H HETATM 2263 H7 ASP A 145 51.269 10.901 41.268 1.00 0.19 H HETATM 2264 H4 ASP A 145 50.804 10.555 43.349 1.00 0.11 H HETATM 2265 H1 ASP A 145 50.862 11.203 45.643 1.00 0.20 H HETATM 2266 H2 ASP A 145 51.572 12.639 45.267 1.00 0.20 H HETATM 2267 H3 ASP A 145 52.367 11.227 44.978 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 2070 2071 2265 2266 2267 CONECT 2071 2070 2072 2078 2264 CONECT 2072 2071 2073 2076 2077 CONECT 2073 2072 2074 2075 CONECT 2074 2073 CONECT 2075 2073 CONECT 2076 2072 CONECT 2077 2072 CONECT 2078 2071 2079 2080 CONECT 2079 2078 CONECT 2080 2078 2081 2263 CONECT 2081 2080 2082 2086 2262 CONECT 2082 2081 2083 2084 2085 CONECT 2083 2082 CONECT 2084 2082 CONECT 2085 2082 CONECT 2086 2081 2087 2088 CONECT 2087 2086 CONECT 2088 2086 2089 2261 CONECT 2089 2088 2090 2098 2260 CONECT 2090 2089 2091 2095 2097 CONECT 2091 2090 2092 2093 2094 CONECT 2092 2091 CONECT 2093 2091 CONECT 2094 2091 CONECT 2095 2090 2096 CONECT 2096 2095 CONECT 2097 2090 CONECT 2098 2089 2099 2100 CONECT 2099 2098 CONECT 2100 2098 2101 2259 CONECT 2101 2100 2102 2117 2258 CONECT 2102 2101 2103 2115 2116 CONECT 2103 2102 2104 2108 CONECT 2104 2103 2105 2114 CONECT 2105 2104 2106 2113 CONECT 2106 2105 2107 2111 CONECT 2107 2106 2108 2110 CONECT 2108 2103 2107 2109 CONECT 2109 2108 CONECT 2110 2107 CONECT 2111 2106 2112 CONECT 2112 2111 CONECT 2113 2105 CONECT 2114 2104 CONECT 2115 2102 CONECT 2116 2102 CONECT 2117 2101 2118 2119 CONECT 2118 2117 CONECT 2119 2117 2120 2257 CONECT 2120 2119 2121 2129 2256 CONECT 2121 2120 2122 2126 2128 CONECT 2122 2121 2123 2124 2125 CONECT 2123 2122 CONECT 2124 2122 CONECT 2125 2122 CONECT 2126 2121 2127 CONECT 2127 2126 CONECT 2128 2121 CONECT 2129 2120 2130 2131 CONECT 2130 2129 CONECT 2131 2129 2132 2255 CONECT 2132 2131 2133 2151 2254 CONECT 2133 2132 2134 2149 2150 CONECT 2134 2133 2135 2138 CONECT 2135 2134 2136 2148 CONECT 2136 2135 2137 2147 CONECT 2137 2136 2138 2142 CONECT 2138 2134 2137 2139 CONECT 2139 2138 2140 2146 CONECT 2140 2139 2141 2145 CONECT 2141 2140 2142 2144 CONECT 2142 2137 2141 2143 CONECT 2143 2142 CONECT 2144 2141 CONECT 2145 2140 CONECT 2146 2139 CONECT 2147 2136 CONECT 2148 2135 CONECT 2149 2133 CONECT 2150 2133 CONECT 2151 2132 2152 2153 CONECT 2152 2151 CONECT 2153 2151 2154 2253 CONECT 2154 2153 2155 2164 2252 CONECT 2155 2154 2156 2162 2163 CONECT 2156 2155 2157 2160 2161 CONECT 2157 2156 2158 2159 CONECT 2158 2157 CONECT 2159 2157 CONECT 2160 2156 CONECT 2161 2156 CONECT 2162 2155 CONECT 2163 2155 CONECT 2164 2154 2165 2166 CONECT 2165 2164 CONECT 2166 2164 2167 2251 CONECT 2167 2166 2168 2179 2250 CONECT 2168 2167 2169 2177 2178 CONECT 2169 2168 2170 2173 CONECT 2170 2169 2171 2176 CONECT 2171 2170 2172 2175 CONECT 2172 2171 2173 CONECT 2173 2169 2172 2174 CONECT 2174 2173 CONECT 2175 2171 CONECT 2176 2170 CONECT 2177 2168 CONECT 2178 2168 CONECT 2179 2167 2180 2181 CONECT 2180 2179 CONECT 2181 2179 2182 2249 CONECT 2182 2181 2183 2196 2248 CONECT 2183 2182 2184 2194 2195 CONECT 2184 2183 2185 2189 2193 CONECT 2185 2184 2186 2187 2188 CONECT 2186 2185 CONECT 2187 2185 CONECT 2188 2185 CONECT 2189 2184 2190 2191 2192 CONECT 2190 2189 CONECT 2191 2189 CONECT 2192 2189 CONECT 2193 2184 CONECT 2194 2183 CONECT 2195 2183 CONECT 2196 2182 2197 2198 CONECT 2197 2196 CONECT 2198 2196 2199 2247 CONECT 2199 2198 2200 2204 2246 CONECT 2200 2199 2201 2202 2203 CONECT 2201 2200 CONECT 2202 2200 CONECT 2203 2200 CONECT 2204 2199 2205 2206 CONECT 2205 2204 CONECT 2206 2204 2207 2245 CONECT 2207 2206 2208 2226 2244 CONECT 2208 2207 2209 2224 2225 CONECT 2209 2208 2210 2213 CONECT 2210 2209 2211 2223 CONECT 2211 2210 2212 2222 CONECT 2212 2211 2213 2217 CONECT 2213 2209 2212 2214 CONECT 2214 2213 2215 2221 CONECT 2215 2214 2216 2220 CONECT 2216 2215 2217 2219 CONECT 2217 2212 2216 2218 CONECT 2218 2217 CONECT 2219 2216 CONECT 2220 2215 CONECT 2221 2214 CONECT 2222 2211 CONECT 2223 2210 CONECT 2224 2208 CONECT 2225 2208 CONECT 2226 2207 2227 2228 CONECT 2227 2226 CONECT 2228 2226 2229 2236 CONECT 2229 2228 2230 2234 2243 CONECT 2230 2229 2231 2232 CONECT 2231 2230 CONECT 2232 2230 2233 CONECT 2233 2232 CONECT 2234 2229 2235 2241 2242 CONECT 2235 2234 2236 2239 2240 CONECT 2236 2228 2235 2237 2238 CONECT 2237 2236 CONECT 2238 2236 CONECT 2239 2235 CONECT 2240 2235 CONECT 2241 2234 CONECT 2242 2234 CONECT 2243 2229 CONECT 2244 2207 CONECT 2245 2206 CONECT 2246 2199 CONECT 2247 2198 CONECT 2248 2182 CONECT 2249 2181 CONECT 2250 2167 CONECT 2251 2166 CONECT 2252 2154 CONECT 2253 2153 CONECT 2254 2132 CONECT 2255 2131 CONECT 2256 2120 CONECT 2257 2119 CONECT 2258 2101 CONECT 2259 2100 CONECT 2260 2089 CONECT 2261 2088 CONECT 2262 2081 CONECT 2263 2080 CONECT 2264 2071 CONECT 2265 2070 CONECT 2266 2070 CONECT 2267 2070 MASTER 0 0 0 0 0 0 0 0 2266 1 202 9 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Complexes with the same small molecule ligand
PDB Code
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12-mer
1br8
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1dkd
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PDBbind
12-mer
1gwr
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12-mer
1jyi
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12-mer
1ka7
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PDBbind
12-mer
1lf8
RCSB PDB
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12-mer
1mq1
RCSB PDB
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12-mer
1mwn
RCSB PDB
PDBbind
12-mer
1osg
RCSB PDB
PDBbind
12-mer
1qwe
RCSB PDB
PDBbind
12-mer
1qwf
RCSB PDB
PDBbind
12-mer
1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
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RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
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5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
3d32
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
The human 纬-aminobutyric acid type A (GABAA)
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
Kd=354nM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Mol.Biol. Vol. 381: pp. 1320-1331
Ligand Properties
Formula
C
7
1
H
9
3
N
1
6
O
2
0
Molecular Weight
1490.590
Exact Mass
1489.680
No. of atoms
200
No. of bonds
206
Polar Surface Area
571.8
LOGP Value
0.54 (
Computed with XLOGP3
)
0.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 52
No. of Nitrogen and Oxygen Atoms: 36
No. of Rings: 7
Canonical SMILES
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1c[nH]c2c1cccc2)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])C)CCC(=O)O)C
InChI String
InChI=1S/C71H92N16O20/c1-34(2)24-50(64(99)78-35(3)60(95)84-54(70(105)87-23-11-16-55(87)71(106)107)27-41-31-75-48-15-10-8-13-45(41)48)80-66(101)53(28-42-32-73-33-76-42)81-63(98)49(21-22-56(91)92)79-65(100)52(26-40-30-74-47-14-9-7-12-44(40)47)83-69(104)59(38(6)89)86-67(102)51(25-39-17-19-43(90)20-18-39)82-68(103)58(37(5)88)85-61(96)36(4)77-62(97)46(72)29-57(93)94/h7-10,12-15,17-20,30-38,46,49-55,58-59,74-75,88-90H,11,16,21-29,72H2,1-6H3,(H,73,76)(H,77,97)(H,78,99)(H,79,100)(H,80,101)(H,81,98)(H,82,103)(H,83,104)(H,84,95)(H,85,96)(H,86,102)(H,91,92)(H,93,94)(H,106,107)/p+1/t35-,36-,37+,38+,46-,49-,50-,51-,52-,53-,54-,55-,58-,59-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O95166
Entrez Gene ID
NCBI Entrez Gene ID:
11337
ASD
Information of known allosteric effects of PDB entries
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