Browse entries in the PDBbind-CN Database
HEADER 1HMR_COMPLEX COMPND 1HMR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 VAL ASP ALA PHE LEU GLY THR TRP LYS LEU VAL ASP SER SEQRES 2 A 131 LYS ASN PHE ASP ASP TYR MET LYS SER LEU GLY VAL GLY SEQRES 3 A 131 PHE ALA THR ARG GLN VAL ALA SER MET THR LYS PRO THR SEQRES 4 A 131 THR ILE ILE GLU LYS ASN GLY ASP ILE LEU THR LEU LYS SEQRES 5 A 131 THR HIS SER THR PHE LYS ASN THR GLU ILE SER PHE LYS SEQRES 6 A 131 LEU GLY VAL GLU PHE ASP GLU THR THR ALA ASP ASP ARG SEQRES 7 A 131 LYS VAL LYS SER ILE VAL THR LEU ASP GLY GLY LYS LEU SEQRES 8 A 131 VAL HIS LEU GLN LYS TRP ASP GLY GLN GLU THR THR LEU SEQRES 9 A 131 VAL ARG GLU LEU ILE ASP GLY LYS LEU ILE LEU THR LEU SEQRES 10 A 131 THR HIS GLY THR ALA VAL CYS THR ARG THR TYR GLU LYS SEQRES 11 A 131 GLU HET ELA A 353 55 ATOM 1 N VAL A 1 21.905 39.598 33.751 1.00 0.62 N ATOM 2 CA VAL A 1 21.220 39.664 35.035 1.00 0.51 C ATOM 3 C VAL A 1 19.744 39.479 34.990 1.00 0.46 C ATOM 4 O VAL A 1 19.120 39.169 36.007 1.00 0.47 O ATOM 5 CB VAL A 1 21.636 40.797 35.941 1.00 0.53 C ATOM 6 CG1 VAL A 1 20.772 42.047 35.771 1.00 0.58 C ATOM 7 CG2 VAL A 1 21.745 40.404 37.368 1.00 0.64 C ATOM 8 HA VAL A 1 21.601 38.764 35.517 1.00 0.00 H ATOM 9 HB VAL A 1 22.643 41.057 35.613 1.00 0.00 H ATOM 10 HG11 VAL A 1 20.846 42.401 34.743 1.00 0.00 H ATOM 11 HG12 VAL A 1 19.734 41.804 36.000 1.00 0.00 H ATOM 12 HG13 VAL A 1 21.122 42.824 36.450 1.00 0.00 H ATOM 13 HG21 VAL A 1 20.778 40.043 37.719 1.00 0.00 H ATOM 14 HG22 VAL A 1 22.489 39.614 37.470 1.00 0.00 H ATOM 15 HG23 VAL A 1 22.048 41.268 37.959 1.00 0.00 H ATOM 16 HN3 VAL A 1 21.537 40.342 33.124 1.00 0.00 H ATOM 17 HN2 VAL A 1 21.741 38.666 33.319 1.00 0.00 H ATOM 18 HN1 VAL A 1 22.925 39.739 33.896 1.00 0.00 H ATOM 19 N ASP A 2 19.091 39.669 33.835 1.00 0.47 N ATOM 20 CA ASP A 2 17.650 39.710 33.752 1.00 0.48 C ATOM 21 C ASP A 2 16.938 38.456 34.205 1.00 0.47 C ATOM 22 O ASP A 2 15.786 38.510 34.694 1.00 0.48 O ATOM 23 CB ASP A 2 17.140 40.170 32.409 1.00 0.52 C ATOM 24 CG ASP A 2 17.628 41.546 32.005 1.00 0.58 C ATOM 25 OD1 ASP A 2 17.307 42.583 32.681 1.00 0.63 O ATOM 26 OD2 ASP A 2 18.346 41.615 31.014 1.00 0.61 O ATOM 27 HA ASP A 2 17.390 40.472 34.487 1.00 0.00 H ATOM 28 HB2 ASP A 2 17.467 39.455 31.654 1.00 0.00 H ATOM 29 HB3 ASP A 2 16.051 40.188 32.443 1.00 0.00 H ATOM 30 H ASP A 2 19.645 39.792 32.963 1.00 0.00 H ATOM 31 N ALA A 3 17.589 37.286 34.080 1.00 0.48 N ATOM 32 CA ALA A 3 16.840 36.037 34.411 1.00 0.49 C ATOM 33 C ALA A 3 16.771 35.831 35.904 1.00 0.45 C ATOM 34 O ALA A 3 16.008 34.961 36.366 1.00 0.50 O ATOM 35 CB ALA A 3 17.514 34.853 33.760 1.00 0.58 C ATOM 36 HA ALA A 3 15.823 36.132 34.031 1.00 0.00 H ATOM 37 HB1 ALA A 3 17.526 34.993 32.679 1.00 0.00 H ATOM 38 HB2 ALA A 3 18.537 34.771 34.128 1.00 0.00 H ATOM 39 HB3 ALA A 3 16.964 33.944 34.004 1.00 0.00 H ATOM 40 H ALA A 3 18.579 37.252 33.764 1.00 0.00 H ATOM 41 N PHE A 4 17.515 36.622 36.667 1.00 0.44 N ATOM 42 CA PHE A 4 17.427 36.503 38.152 1.00 0.41 C ATOM 43 C PHE A 4 16.311 37.393 38.721 1.00 0.39 C ATOM 44 O PHE A 4 15.930 37.243 39.911 1.00 0.42 O ATOM 45 CB PHE A 4 18.760 37.038 38.742 1.00 0.41 C ATOM 46 CG PHE A 4 19.933 36.100 38.581 1.00 0.43 C ATOM 47 CD1 PHE A 4 20.081 35.011 39.404 1.00 0.41 C ATOM 48 CD2 PHE A 4 20.843 36.271 37.536 1.00 0.45 C ATOM 49 CE1 PHE A 4 21.090 34.111 39.195 1.00 0.43 C ATOM 50 CE2 PHE A 4 22.007 35.500 37.495 1.00 0.45 C ATOM 51 CZ PHE A 4 22.111 34.407 38.312 1.00 0.46 C ATOM 52 HA PHE A 4 17.229 35.462 38.406 1.00 0.00 H ATOM 53 HB2 PHE A 4 19.002 37.976 38.243 1.00 0.00 H ATOM 54 HB3 PHE A 4 18.613 37.221 39.806 1.00 0.00 H ATOM 55 HD2 PHE A 4 20.646 37.004 36.754 1.00 0.00 H ATOM 56 HE2 PHE A 4 22.822 35.765 36.821 1.00 0.00 H ATOM 57 HZ PHE A 4 22.996 33.772 38.266 1.00 0.00 H ATOM 58 HE1 PHE A 4 21.089 33.159 39.726 1.00 0.00 H ATOM 59 HD1 PHE A 4 19.388 34.862 40.232 1.00 0.00 H ATOM 60 H PHE A 4 18.154 37.319 36.234 1.00 0.00 H ATOM 61 N LEU A 5 15.806 38.337 37.939 1.00 0.39 N ATOM 62 CA LEU A 5 14.836 39.311 38.452 1.00 0.38 C ATOM 63 C LEU A 5 13.517 38.665 38.794 1.00 0.40 C ATOM 64 O LEU A 5 12.964 37.775 38.057 1.00 0.45 O ATOM 65 CB LEU A 5 14.645 40.448 37.418 1.00 0.41 C ATOM 66 CG LEU A 5 15.898 41.216 37.029 1.00 0.42 C ATOM 67 CD1 LEU A 5 15.589 42.297 35.993 1.00 0.49 C ATOM 68 CD2 LEU A 5 16.655 41.788 38.198 1.00 0.45 C ATOM 69 HA LEU A 5 15.230 39.730 39.378 1.00 0.00 H ATOM 70 HB2 LEU A 5 14.229 40.008 36.512 1.00 0.00 H ATOM 71 HB3 LEU A 5 13.933 41.161 37.834 1.00 0.00 H ATOM 72 HG LEU A 5 16.562 40.478 36.579 1.00 0.00 H ATOM 73 HD21 LEU A 5 16.011 42.478 38.744 1.00 0.00 H ATOM 74 HD22 LEU A 5 16.966 40.979 38.859 1.00 0.00 H ATOM 75 HD23 LEU A 5 17.534 42.320 37.835 1.00 0.00 H ATOM 76 HD11 LEU A 5 15.175 41.833 35.098 1.00 0.00 H ATOM 77 HD12 LEU A 5 14.866 43.000 36.407 1.00 0.00 H ATOM 78 HD13 LEU A 5 16.507 42.827 35.737 1.00 0.00 H ATOM 79 H LEU A 5 16.103 38.388 36.944 1.00 0.00 H ATOM 80 N GLY A 6 12.915 39.050 39.922 1.00 0.37 N ATOM 81 CA GLY A 6 11.621 38.569 40.303 1.00 0.40 C ATOM 82 C GLY A 6 11.515 38.238 41.786 1.00 0.37 C ATOM 83 O GLY A 6 12.371 38.643 42.576 1.00 0.36 O ATOM 84 HA3 GLY A 6 11.404 37.667 39.730 1.00 0.00 H ATOM 85 HA2 GLY A 6 10.883 39.335 40.065 1.00 0.00 H ATOM 86 H GLY A 6 13.403 39.723 40.546 1.00 0.00 H ATOM 87 N THR A 7 10.489 37.497 42.143 1.00 0.38 N ATOM 88 CA THR A 7 10.214 37.147 43.546 1.00 0.40 C ATOM 89 C THR A 7 10.343 35.619 43.662 1.00 0.40 C ATOM 90 O THR A 7 9.878 34.908 42.798 1.00 0.44 O ATOM 91 CB THR A 7 8.733 37.532 43.846 1.00 0.42 C ATOM 92 OG1 THR A 7 8.560 38.955 43.638 1.00 0.44 O ATOM 93 CG2 THR A 7 8.379 37.205 45.272 1.00 0.44 C ATOM 94 HA THR A 7 10.893 37.656 44.231 1.00 0.00 H ATOM 95 HB THR A 7 8.083 36.966 43.178 1.00 0.00 H ATOM 96 HG1 THR A 7 8.779 39.179 42.699 1.00 0.00 H ATOM 97 HG23 THR A 7 8.506 36.136 45.440 1.00 0.00 H ATOM 98 HG21 THR A 7 9.034 37.760 45.944 1.00 0.00 H ATOM 99 HG22 THR A 7 7.342 37.484 45.461 1.00 0.00 H ATOM 100 H THR A 7 9.847 37.144 41.405 1.00 0.00 H ATOM 101 N TRP A 8 11.129 35.219 44.647 1.00 0.41 N ATOM 102 CA TRP A 8 11.559 33.809 44.805 1.00 0.40 C ATOM 103 C TRP A 8 11.215 33.344 46.226 1.00 0.40 C ATOM 104 O TRP A 8 11.445 34.130 47.166 1.00 0.40 O ATOM 105 CB TRP A 8 13.080 33.728 44.601 1.00 0.39 C ATOM 106 CG TRP A 8 13.564 34.201 43.279 1.00 0.40 C ATOM 107 CD1 TRP A 8 13.940 35.472 42.898 1.00 0.41 C ATOM 108 CD2 TRP A 8 13.715 33.372 42.124 1.00 0.39 C ATOM 109 NE1 TRP A 8 14.314 35.461 41.552 1.00 0.41 N ATOM 110 CE2 TRP A 8 14.188 34.180 41.073 1.00 0.40 C ATOM 111 CE3 TRP A 8 13.485 32.000 41.913 1.00 0.41 C ATOM 112 CZ2 TRP A 8 14.440 33.673 39.805 1.00 0.42 C ATOM 113 CZ3 TRP A 8 13.740 31.511 40.659 1.00 0.42 C ATOM 114 CH2 TRP A 8 14.214 32.342 39.652 1.00 0.44 C ATOM 115 HA TRP A 8 11.054 33.176 44.075 1.00 0.00 H ATOM 116 HB2 TRP A 8 13.557 34.333 45.372 1.00 0.00 H ATOM 117 HB3 TRP A 8 13.382 32.687 44.719 1.00 0.00 H ATOM 118 HE1 TRP A 8 14.634 36.285 41.004 1.00 0.00 H ATOM 119 HD1 TRP A 8 13.945 36.348 43.546 1.00 0.00 H ATOM 120 HZ2 TRP A 8 14.795 34.301 38.988 1.00 0.00 H ATOM 121 HH2 TRP A 8 14.418 31.898 38.677 1.00 0.00 H ATOM 122 HZ3 TRP A 8 13.569 30.455 40.449 1.00 0.00 H ATOM 123 HE3 TRP A 8 13.120 31.355 42.712 1.00 0.00 H ATOM 124 H TRP A 8 11.459 35.922 45.339 1.00 0.00 H ATOM 125 N LYS A 9 10.714 32.139 46.397 1.00 0.40 N ATOM 126 CA LYS A 9 10.440 31.611 47.742 1.00 0.41 C ATOM 127 C LYS A 9 11.256 30.377 48.051 1.00 0.39 C ATOM 128 O LYS A 9 11.499 29.532 47.168 1.00 0.41 O ATOM 129 CB LYS A 9 8.964 31.364 47.965 1.00 0.53 C ATOM 130 CG LYS A 9 8.205 32.736 48.129 1.00 0.63 C ATOM 131 CD LYS A 9 6.877 32.536 48.830 1.00 0.68 C ATOM 132 CE LYS A 9 7.132 31.840 50.194 1.00 0.75 C ATOM 133 NZ LYS A 9 8.609 31.847 50.491 1.00 0.78 N ATOM 134 HA LYS A 9 10.751 32.385 48.444 1.00 0.00 H ATOM 135 HB2 LYS A 9 8.555 30.825 47.110 1.00 0.00 H ATOM 136 HB3 LYS A 9 8.830 30.767 48.867 1.00 0.00 H ATOM 137 HG2 LYS A 9 8.821 33.417 48.717 1.00 0.00 H ATOM 138 HG3 LYS A 9 8.028 33.167 47.144 1.00 0.00 H ATOM 139 HD2 LYS A 9 6.400 33.502 48.995 1.00 0.00 H ATOM 140 HD3 LYS A 9 6.228 31.912 48.215 1.00 0.00 H ATOM 141 HE2 LYS A 9 6.774 30.811 50.150 1.00 0.00 H ATOM 142 HE3 LYS A 9 6.600 32.375 50.981 1.00 0.00 H ATOM 143 HZ1 LYS A 9 9.115 31.336 49.740 1.00 0.00 H ATOM 144 HZ2 LYS A 9 8.948 32.829 50.533 1.00 0.00 H ATOM 145 HZ3 LYS A 9 8.780 31.381 51.405 1.00 0.00 H ATOM 146 H LYS A 9 10.508 31.549 45.566 1.00 0.00 H ATOM 147 N LEU A 10 11.699 30.267 49.310 1.00 0.35 N ATOM 148 CA LEU A 10 12.558 29.126 49.638 1.00 0.36 C ATOM 149 C LEU A 10 11.757 27.836 49.667 1.00 0.40 C ATOM 150 O LEU A 10 10.692 27.776 50.284 1.00 0.43 O ATOM 151 CB LEU A 10 13.222 29.366 50.996 1.00 0.41 C ATOM 152 CG LEU A 10 14.186 28.320 51.516 1.00 0.41 C ATOM 153 CD1 LEU A 10 15.528 28.343 50.894 1.00 0.45 C ATOM 154 CD2 LEU A 10 14.229 28.312 53.031 1.00 0.49 C ATOM 155 HA LEU A 10 13.324 29.029 48.869 1.00 0.00 H ATOM 156 HB2 LEU A 10 13.771 30.305 50.926 1.00 0.00 H ATOM 157 HB3 LEU A 10 12.425 29.466 51.733 1.00 0.00 H ATOM 158 HG LEU A 10 13.777 27.362 51.194 1.00 0.00 H ATOM 159 HD21 LEU A 10 14.552 29.289 53.389 1.00 0.00 H ATOM 160 HD22 LEU A 10 13.235 28.091 53.420 1.00 0.00 H ATOM 161 HD23 LEU A 10 14.931 27.550 53.369 1.00 0.00 H ATOM 162 HD11 LEU A 10 15.433 28.175 49.821 1.00 0.00 H ATOM 163 HD12 LEU A 10 15.993 29.313 51.071 1.00 0.00 H ATOM 164 HD13 LEU A 10 16.144 27.558 51.333 1.00 0.00 H ATOM 165 H LEU A 10 11.441 30.969 50.032 1.00 0.00 H ATOM 166 N VAL A 11 12.295 26.796 49.022 1.00 0.41 N ATOM 167 CA VAL A 11 11.568 25.518 49.037 1.00 0.42 C ATOM 168 C VAL A 11 12.439 24.395 49.594 1.00 0.42 C ATOM 169 O VAL A 11 11.882 23.327 49.940 1.00 0.48 O ATOM 170 CB VAL A 11 11.027 25.187 47.657 1.00 0.45 C ATOM 171 CG1 VAL A 11 9.942 26.216 47.235 1.00 0.46 C ATOM 172 CG2 VAL A 11 12.054 25.026 46.606 1.00 0.47 C ATOM 173 HA VAL A 11 10.713 25.620 49.705 1.00 0.00 H ATOM 174 HB VAL A 11 10.575 24.199 47.752 1.00 0.00 H ATOM 175 HG11 VAL A 11 9.122 26.192 47.952 1.00 0.00 H ATOM 176 HG12 VAL A 11 10.379 27.215 47.214 1.00 0.00 H ATOM 177 HG13 VAL A 11 9.567 25.961 46.244 1.00 0.00 H ATOM 178 HG21 VAL A 11 12.619 25.953 46.507 1.00 0.00 H ATOM 179 HG22 VAL A 11 12.729 24.215 46.880 1.00 0.00 H ATOM 180 HG23 VAL A 11 11.569 24.792 45.659 1.00 0.00 H ATOM 181 H VAL A 11 13.203 26.888 48.523 1.00 0.00 H ATOM 182 N ASP A 12 13.734 24.580 49.768 1.00 0.41 N ATOM 183 CA ASP A 12 14.603 23.531 50.376 1.00 0.40 C ATOM 184 C ASP A 12 15.847 24.190 50.949 1.00 0.38 C ATOM 185 O ASP A 12 16.338 25.205 50.423 1.00 0.41 O ATOM 186 CB ASP A 12 15.046 22.559 49.272 1.00 0.43 C ATOM 187 CG ASP A 12 15.780 21.371 49.771 1.00 0.45 C ATOM 188 OD1 ASP A 12 15.133 20.572 50.501 1.00 0.49 O ATOM 189 OD2 ASP A 12 16.971 21.153 49.489 1.00 0.52 O ATOM 190 HA ASP A 12 14.056 23.005 51.158 1.00 0.00 H ATOM 191 HB2 ASP A 12 14.158 22.215 48.741 1.00 0.00 H ATOM 192 HB3 ASP A 12 15.695 23.098 48.581 1.00 0.00 H ATOM 193 H ASP A 12 14.160 25.482 49.473 1.00 0.00 H ATOM 194 N SER A 13 16.426 23.539 51.963 1.00 0.36 N ATOM 195 CA SER A 13 17.660 24.046 52.549 1.00 0.37 C ATOM 196 C SER A 13 18.501 22.879 53.075 1.00 0.38 C ATOM 197 O SER A 13 17.923 22.019 53.776 1.00 0.42 O ATOM 198 CB SER A 13 17.289 24.947 53.751 1.00 0.40 C ATOM 199 OG SER A 13 18.509 25.574 54.263 1.00 0.41 O ATOM 200 HA SER A 13 18.223 24.599 51.797 1.00 0.00 H ATOM 201 HB2 SER A 13 16.830 24.343 54.534 1.00 0.00 H ATOM 202 HB3 SER A 13 16.588 25.717 53.430 1.00 0.00 H ATOM 203 HG SER A 13 19.143 24.871 54.552 1.00 0.00 H ATOM 204 H SER A 13 15.995 22.669 52.334 1.00 0.00 H ATOM 205 N LYS A 14 19.763 22.855 52.823 1.00 0.37 N ATOM 206 CA LYS A 14 20.716 21.886 53.343 1.00 0.36 C ATOM 207 C LYS A 14 21.900 22.559 54.016 1.00 0.36 C ATOM 208 O LYS A 14 22.569 23.392 53.462 1.00 0.39 O ATOM 209 CB LYS A 14 21.187 20.945 52.240 1.00 0.41 C ATOM 210 CG LYS A 14 19.941 20.214 51.650 1.00 0.45 C ATOM 211 CD LYS A 14 20.349 19.132 50.727 1.00 0.52 C ATOM 212 CE LYS A 14 19.162 18.280 50.308 1.00 0.52 C ATOM 213 NZ LYS A 14 18.388 18.916 49.232 1.00 0.53 N ATOM 214 HA LYS A 14 20.199 21.300 54.103 1.00 0.00 H ATOM 215 HB2 LYS A 14 21.684 21.516 51.456 1.00 0.00 H ATOM 216 HB3 LYS A 14 21.882 20.214 52.652 1.00 0.00 H ATOM 217 HG2 LYS A 14 19.359 19.786 52.466 1.00 0.00 H ATOM 218 HG3 LYS A 14 19.329 20.934 51.107 1.00 0.00 H ATOM 219 HD2 LYS A 14 20.799 19.575 49.838 1.00 0.00 H ATOM 220 HD3 LYS A 14 21.082 18.498 51.226 1.00 0.00 H ATOM 221 HE2 LYS A 14 18.512 18.131 51.170 1.00 0.00 H ATOM 222 HE3 LYS A 14 19.526 17.314 49.958 1.00 0.00 H ATOM 223 HZ1 LYS A 14 18.031 19.836 49.560 1.00 0.00 H ATOM 224 HZ2 LYS A 14 19.000 19.056 48.403 1.00 0.00 H ATOM 225 HZ3 LYS A 14 17.587 18.304 48.974 1.00 0.00 H ATOM 226 H LYS A 14 20.134 23.593 52.192 1.00 0.00 H ATOM 227 N ASN A 15 22.127 22.161 55.257 1.00 0.33 N ATOM 228 CA ASN A 15 23.288 22.509 56.026 1.00 0.36 C ATOM 229 C ASN A 15 23.323 23.991 56.438 1.00 0.35 C ATOM 230 O ASN A 15 24.423 24.496 56.648 1.00 0.35 O ATOM 231 CB ASN A 15 24.551 22.082 55.364 1.00 0.39 C ATOM 232 CG ASN A 15 24.649 20.582 55.092 1.00 0.48 C ATOM 233 OD1 ASN A 15 24.126 19.768 55.824 1.00 0.53 O ATOM 234 ND2 ASN A 15 25.304 20.264 53.966 1.00 0.59 N ATOM 235 HA ASN A 15 23.207 21.944 56.954 1.00 0.00 H ATOM 236 HB2 ASN A 15 24.631 22.607 54.412 1.00 0.00 H ATOM 237 HB3 ASN A 15 25.385 22.367 56.005 1.00 0.00 H ATOM 238 HD22 ASN A 15 25.730 21.013 53.383 1.00 0.00 H ATOM 239 HD21 ASN A 15 25.386 19.269 53.676 1.00 0.00 H ATOM 240 H ASN A 15 21.414 21.553 55.707 1.00 0.00 H ATOM 241 N PHE A 16 22.167 24.640 56.563 1.00 0.35 N ATOM 242 CA PHE A 16 22.181 26.082 56.958 1.00 0.35 C ATOM 243 C PHE A 16 22.672 26.187 58.380 1.00 0.36 C ATOM 244 O PHE A 16 23.375 27.139 58.751 1.00 0.39 O ATOM 245 CB PHE A 16 20.791 26.680 56.774 1.00 0.36 C ATOM 246 CG PHE A 16 20.687 28.195 56.909 1.00 0.37 C ATOM 247 CD1 PHE A 16 21.668 29.028 56.393 1.00 0.39 C ATOM 248 CD2 PHE A 16 19.618 28.782 57.520 1.00 0.38 C ATOM 249 CE1 PHE A 16 21.569 30.423 56.488 1.00 0.42 C ATOM 250 CE2 PHE A 16 19.478 30.168 57.587 1.00 0.42 C ATOM 251 CZ PHE A 16 20.439 30.999 57.035 1.00 0.42 C ATOM 252 HA PHE A 16 22.858 26.653 56.323 1.00 0.00 H ATOM 253 HB2 PHE A 16 20.442 26.410 55.777 1.00 0.00 H ATOM 254 HB3 PHE A 16 20.135 26.233 57.521 1.00 0.00 H ATOM 255 HD2 PHE A 16 18.852 28.150 57.969 1.00 0.00 H ATOM 256 HE2 PHE A 16 18.606 30.601 58.077 1.00 0.00 H ATOM 257 HZ PHE A 16 20.307 32.081 57.032 1.00 0.00 H ATOM 258 HE1 PHE A 16 22.383 31.053 56.130 1.00 0.00 H ATOM 259 HD1 PHE A 16 22.536 28.588 55.902 1.00 0.00 H ATOM 260 H PHE A 16 21.266 24.150 56.388 1.00 0.00 H ATOM 261 N ASP A 17 22.398 25.171 59.211 1.00 0.38 N ATOM 262 CA ASP A 17 22.916 25.260 60.604 1.00 0.39 C ATOM 263 C ASP A 17 24.406 25.267 60.670 1.00 0.38 C ATOM 264 O ASP A 17 25.026 26.055 61.437 1.00 0.41 O ATOM 265 CB ASP A 17 22.290 24.177 61.459 1.00 0.40 C ATOM 266 CG ASP A 17 22.615 24.373 62.963 1.00 0.46 C ATOM 267 OD1 ASP A 17 22.102 25.294 63.549 1.00 0.46 O ATOM 268 OD2 ASP A 17 23.371 23.513 63.484 1.00 0.50 O ATOM 269 HA ASP A 17 22.618 26.225 61.014 1.00 0.00 H ATOM 270 HB2 ASP A 17 21.209 24.202 61.325 1.00 0.00 H ATOM 271 HB3 ASP A 17 22.673 23.208 61.138 1.00 0.00 H ATOM 272 H ASP A 17 21.844 24.350 58.894 1.00 0.00 H ATOM 273 N ASP A 18 25.103 24.427 59.901 1.00 0.40 N ATOM 274 CA ASP A 18 26.535 24.393 59.878 1.00 0.43 C ATOM 275 C ASP A 18 27.119 25.763 59.474 1.00 0.40 C ATOM 276 O ASP A 18 28.077 26.230 60.037 1.00 0.42 O ATOM 277 CB ASP A 18 27.061 23.336 58.904 1.00 0.48 C ATOM 278 CG ASP A 18 26.727 21.917 59.290 1.00 0.60 C ATOM 279 OD1 ASP A 18 26.676 21.594 60.500 1.00 0.70 O ATOM 280 OD2 ASP A 18 26.564 21.066 58.385 1.00 0.69 O ATOM 281 HA ASP A 18 26.853 24.140 60.889 1.00 0.00 H ATOM 282 HB2 ASP A 18 26.632 23.533 57.921 1.00 0.00 H ATOM 283 HB3 ASP A 18 28.146 23.430 58.851 1.00 0.00 H ATOM 284 H ASP A 18 24.582 23.766 59.290 1.00 0.00 H ATOM 285 N TYR A 19 26.512 26.348 58.433 1.00 0.38 N ATOM 286 CA TYR A 19 26.917 27.643 57.959 1.00 0.38 C ATOM 287 C TYR A 19 26.782 28.719 59.029 1.00 0.37 C ATOM 288 O TYR A 19 27.750 29.464 59.329 1.00 0.39 O ATOM 289 CB TYR A 19 26.195 28.018 56.672 1.00 0.38 C ATOM 290 CG TYR A 19 26.583 29.374 56.118 1.00 0.36 C ATOM 291 CD1 TYR A 19 27.767 29.556 55.410 1.00 0.36 C ATOM 292 CD2 TYR A 19 25.725 30.472 56.256 1.00 0.37 C ATOM 293 CE1 TYR A 19 28.112 30.782 54.893 1.00 0.38 C ATOM 294 CE2 TYR A 19 26.079 31.707 55.735 1.00 0.42 C ATOM 295 CZ TYR A 19 27.256 31.851 55.075 1.00 0.40 C ATOM 296 OH TYR A 19 27.597 33.096 54.525 1.00 0.42 O ATOM 297 HA TYR A 19 27.979 27.578 57.724 1.00 0.00 H ATOM 298 HB3 TYR A 19 25.123 28.022 56.869 1.00 0.00 H ATOM 299 HB2 TYR A 19 26.422 27.263 55.919 1.00 0.00 H ATOM 300 HD2 TYR A 19 24.774 30.355 56.776 1.00 0.00 H ATOM 301 HE2 TYR A 19 25.413 32.561 55.855 1.00 0.00 H ATOM 302 HE1 TYR A 19 29.047 30.909 54.348 1.00 0.00 H ATOM 303 HD1 TYR A 19 28.435 28.708 55.262 1.00 0.00 H ATOM 304 HH TYR A 19 28.480 33.029 54.082 1.00 0.00 H ATOM 305 H TYR A 19 25.730 25.854 57.957 1.00 0.00 H ATOM 306 N MET A 20 25.651 28.818 59.677 1.00 0.38 N ATOM 307 CA MET A 20 25.437 29.762 60.765 1.00 0.39 C ATOM 308 C MET A 20 26.401 29.513 61.913 1.00 0.41 C ATOM 309 O MET A 20 26.958 30.425 62.479 1.00 0.41 O ATOM 310 CB MET A 20 23.991 29.711 61.242 1.00 0.39 C ATOM 311 CG MET A 20 22.971 30.218 60.236 1.00 0.41 C ATOM 312 SD MET A 20 21.329 30.355 60.915 1.00 0.43 S ATOM 313 CE MET A 20 20.815 28.640 60.961 1.00 0.40 C ATOM 314 HA MET A 20 25.636 30.764 60.384 1.00 0.00 H ATOM 315 HB2 MET A 20 23.748 28.675 61.479 1.00 0.00 H ATOM 316 HB3 MET A 20 23.909 30.318 62.144 1.00 0.00 H ATOM 317 HG2 MET A 20 22.942 29.528 59.393 1.00 0.00 H ATOM 318 HG3 MET A 20 23.286 31.202 59.888 1.00 0.00 H ATOM 319 HE1 MET A 20 20.831 28.230 59.951 1.00 0.00 H ATOM 320 HE2 MET A 20 21.498 28.074 61.595 1.00 0.00 H ATOM 321 HE3 MET A 20 19.805 28.576 61.365 1.00 0.00 H ATOM 322 H MET A 20 24.867 28.193 59.402 1.00 0.00 H ATOM 323 N LYS A 21 26.619 28.214 62.275 1.00 0.43 N ATOM 324 CA LYS A 21 27.548 27.934 63.368 1.00 0.45 C ATOM 325 C LYS A 21 28.926 28.498 63.043 1.00 0.44 C ATOM 326 O LYS A 21 29.654 28.990 63.945 1.00 0.46 O ATOM 327 CB LYS A 21 27.691 26.400 63.601 1.00 0.54 C ATOM 328 CG LYS A 21 26.635 25.728 64.364 1.00 0.61 C ATOM 329 CD LYS A 21 26.904 24.188 64.466 1.00 0.66 C ATOM 330 CE LYS A 21 27.128 23.757 65.868 1.00 0.72 C ATOM 331 NZ LYS A 21 26.259 22.556 66.242 1.00 0.71 N ATOM 332 HA LYS A 21 27.149 28.403 64.267 1.00 0.00 H ATOM 333 HB2 LYS A 21 27.739 25.924 62.622 1.00 0.00 H ATOM 334 HB3 LYS A 21 28.630 26.236 64.130 1.00 0.00 H ATOM 335 HG2 LYS A 21 26.598 26.150 65.368 1.00 0.00 H ATOM 336 HG3 LYS A 21 25.678 25.890 63.867 1.00 0.00 H ATOM 337 HD2 LYS A 21 26.043 23.652 64.066 1.00 0.00 H ATOM 338 HD3 LYS A 21 27.788 23.945 63.877 1.00 0.00 H ATOM 339 HE2 LYS A 21 26.889 24.586 66.534 1.00 0.00 H ATOM 340 HE3 LYS A 21 28.176 23.485 65.990 1.00 0.00 H ATOM 341 HZ1 LYS A 21 25.256 22.809 66.135 1.00 0.00 H ATOM 342 HZ2 LYS A 21 26.485 21.757 65.615 1.00 0.00 H ATOM 343 HZ3 LYS A 21 26.447 22.288 67.229 1.00 0.00 H ATOM 344 H LYS A 21 26.133 27.438 61.782 1.00 0.00 H ATOM 345 N SER A 22 29.363 28.326 61.818 1.00 0.41 N ATOM 346 CA SER A 22 30.718 28.686 61.410 1.00 0.42 C ATOM 347 C SER A 22 30.893 30.229 61.539 1.00 0.41 C ATOM 348 O SER A 22 31.973 30.707 61.851 1.00 0.47 O ATOM 349 CB SER A 22 30.932 28.274 59.959 1.00 0.43 C ATOM 350 OG SER A 22 32.324 28.444 59.596 1.00 0.46 O ATOM 351 HA SER A 22 31.444 28.177 62.044 1.00 0.00 H ATOM 352 HB2 SER A 22 30.312 28.894 59.312 1.00 0.00 H ATOM 353 HB3 SER A 22 30.651 27.228 59.835 1.00 0.00 H ATOM 354 HG SER A 22 32.888 27.880 60.182 1.00 0.00 H ATOM 355 H SER A 22 28.720 27.918 61.110 1.00 0.00 H ATOM 356 N LEU A 23 29.824 30.975 61.350 1.00 0.44 N ATOM 357 CA LEU A 23 29.868 32.425 61.455 1.00 0.43 C ATOM 358 C LEU A 23 29.748 32.898 62.882 1.00 0.46 C ATOM 359 O LEU A 23 29.853 34.103 63.139 1.00 0.51 O ATOM 360 CB LEU A 23 28.667 33.030 60.645 1.00 0.42 C ATOM 361 CG LEU A 23 28.816 32.957 59.127 1.00 0.48 C ATOM 362 CD1 LEU A 23 27.539 33.551 58.482 1.00 0.48 C ATOM 363 CD2 LEU A 23 30.021 33.739 58.651 1.00 0.49 C ATOM 364 HA LEU A 23 30.830 32.753 61.061 1.00 0.00 H ATOM 365 HB2 LEU A 23 27.763 32.489 60.924 1.00 0.00 H ATOM 366 HB3 LEU A 23 28.562 34.078 60.926 1.00 0.00 H ATOM 367 HG LEU A 23 28.954 31.915 58.838 1.00 0.00 H ATOM 368 HD21 LEU A 23 29.910 34.785 58.938 1.00 0.00 H ATOM 369 HD22 LEU A 23 30.922 33.329 59.107 1.00 0.00 H ATOM 370 HD23 LEU A 23 30.095 33.665 57.566 1.00 0.00 H ATOM 371 HD11 LEU A 23 26.671 32.974 58.800 1.00 0.00 H ATOM 372 HD12 LEU A 23 27.423 34.588 58.797 1.00 0.00 H ATOM 373 HD13 LEU A 23 27.628 33.507 57.396 1.00 0.00 H ATOM 374 H LEU A 23 28.921 30.513 61.119 1.00 0.00 H ATOM 375 N GLY A 24 29.342 31.995 63.768 1.00 0.46 N ATOM 376 CA GLY A 24 29.216 32.356 65.180 1.00 0.46 C ATOM 377 C GLY A 24 27.857 32.780 65.604 1.00 0.47 C ATOM 378 O GLY A 24 27.669 33.415 66.682 1.00 0.51 O ATOM 379 HA3 GLY A 24 29.904 33.177 65.382 1.00 0.00 H ATOM 380 HA2 GLY A 24 29.501 31.490 65.777 1.00 0.00 H ATOM 381 H GLY A 24 29.113 31.029 63.457 1.00 0.00 H ATOM 382 N VAL A 25 26.827 32.429 64.847 1.00 0.43 N ATOM 383 CA VAL A 25 25.476 32.744 65.188 1.00 0.43 C ATOM 384 C VAL A 25 24.982 31.862 66.342 1.00 0.44 C ATOM 385 O VAL A 25 25.225 30.669 66.324 1.00 0.46 O ATOM 386 CB VAL A 25 24.541 32.579 63.990 1.00 0.43 C ATOM 387 CG1 VAL A 25 23.124 32.808 64.350 1.00 0.43 C ATOM 388 CG2 VAL A 25 25.013 33.457 62.847 1.00 0.43 C ATOM 389 HA VAL A 25 25.462 33.788 65.500 1.00 0.00 H ATOM 390 HB VAL A 25 24.584 31.543 63.654 1.00 0.00 H ATOM 391 HG11 VAL A 25 22.824 32.092 65.115 1.00 0.00 H ATOM 392 HG12 VAL A 25 23.007 33.821 64.734 1.00 0.00 H ATOM 393 HG13 VAL A 25 22.500 32.679 63.465 1.00 0.00 H ATOM 394 HG21 VAL A 25 25.011 34.499 63.166 1.00 0.00 H ATOM 395 HG22 VAL A 25 26.023 33.166 62.560 1.00 0.00 H ATOM 396 HG23 VAL A 25 24.343 33.335 61.996 1.00 0.00 H ATOM 397 H VAL A 25 27.010 31.903 63.969 1.00 0.00 H ATOM 398 N GLY A 26 24.387 32.462 67.349 1.00 0.44 N ATOM 399 CA GLY A 26 24.080 31.762 68.588 1.00 0.48 C ATOM 400 C GLY A 26 22.911 30.819 68.426 1.00 0.45 C ATOM 401 O GLY A 26 22.150 30.936 67.484 1.00 0.47 O ATOM 402 HA3 GLY A 26 23.838 32.495 69.357 1.00 0.00 H ATOM 403 HA2 GLY A 26 24.955 31.190 68.896 1.00 0.00 H ATOM 404 H GLY A 26 24.128 33.465 67.258 1.00 0.00 H ATOM 405 N PHE A 27 22.789 29.840 69.352 1.00 0.46 N ATOM 406 CA PHE A 27 21.845 28.777 69.230 1.00 0.46 C ATOM 407 C PHE A 27 20.420 29.220 69.093 1.00 0.45 C ATOM 408 O PHE A 27 19.606 28.637 68.350 1.00 0.45 O ATOM 409 CB PHE A 27 22.010 27.702 70.317 1.00 0.49 C ATOM 410 CG PHE A 27 21.404 28.130 71.645 1.00 0.52 C ATOM 411 CD1 PHE A 27 20.043 28.054 71.858 1.00 0.56 C ATOM 412 CD2 PHE A 27 22.221 28.626 72.655 1.00 0.55 C ATOM 413 CE1 PHE A 27 19.504 28.464 73.055 1.00 0.57 C ATOM 414 CE2 PHE A 27 21.681 29.049 73.836 1.00 0.56 C ATOM 415 CZ PHE A 27 20.320 28.989 74.032 1.00 0.57 C ATOM 416 HA PHE A 27 22.093 28.312 68.276 1.00 0.00 H ATOM 417 HB2 PHE A 27 21.518 26.788 69.985 1.00 0.00 H ATOM 418 HB3 PHE A 27 23.073 27.509 70.462 1.00 0.00 H ATOM 419 HD2 PHE A 27 23.299 28.678 72.503 1.00 0.00 H ATOM 420 HE2 PHE A 27 22.328 29.434 74.624 1.00 0.00 H ATOM 421 HZ PHE A 27 19.887 29.358 74.962 1.00 0.00 H ATOM 422 HE1 PHE A 27 18.432 28.373 73.230 1.00 0.00 H ATOM 423 HD1 PHE A 27 19.392 27.667 71.074 1.00 0.00 H ATOM 424 H PHE A 27 23.409 29.863 70.187 1.00 0.00 H ATOM 425 N ALA A 28 20.049 30.290 69.781 1.00 0.46 N ATOM 426 CA ALA A 28 18.648 30.686 69.789 1.00 0.47 C ATOM 427 C ALA A 28 18.217 31.239 68.441 1.00 0.47 C ATOM 428 O ALA A 28 17.090 31.005 68.023 1.00 0.50 O ATOM 429 CB ALA A 28 18.436 31.729 70.877 1.00 0.52 C ATOM 430 HA ALA A 28 18.037 29.806 69.990 1.00 0.00 H ATOM 431 HB1 ALA A 28 18.704 31.303 71.844 1.00 0.00 H ATOM 432 HB2 ALA A 28 19.063 32.597 70.674 1.00 0.00 H ATOM 433 HB3 ALA A 28 17.389 32.031 70.890 1.00 0.00 H ATOM 434 H ALA A 28 20.753 30.842 70.311 1.00 0.00 H ATOM 435 N THR A 29 19.110 31.983 67.798 1.00 0.47 N ATOM 436 CA THR A 29 18.792 32.527 66.467 1.00 0.47 C ATOM 437 C THR A 29 18.849 31.447 65.401 1.00 0.45 C ATOM 438 O THR A 29 18.053 31.445 64.458 1.00 0.45 O ATOM 439 CB THR A 29 19.856 33.617 66.098 1.00 0.48 C ATOM 440 OG1 THR A 29 19.783 34.688 66.998 1.00 0.53 O ATOM 441 CG2 THR A 29 19.591 34.191 64.708 1.00 0.48 C ATOM 442 HA THR A 29 17.785 32.943 66.503 1.00 0.00 H ATOM 443 HB THR A 29 20.834 33.136 66.133 1.00 0.00 H ATOM 444 HG1 THR A 29 20.459 35.369 66.754 1.00 0.00 H ATOM 445 HG23 THR A 29 19.638 33.390 63.970 1.00 0.00 H ATOM 446 HG21 THR A 29 18.602 34.648 64.688 1.00 0.00 H ATOM 447 HG22 THR A 29 20.345 34.944 64.477 1.00 0.00 H ATOM 448 H THR A 29 20.033 32.181 68.234 1.00 0.00 H ATOM 449 N ARG A 30 19.771 30.499 65.558 1.00 0.45 N ATOM 450 CA ARG A 30 19.776 29.327 64.690 1.00 0.43 C ATOM 451 C ARG A 30 18.458 28.599 64.725 1.00 0.45 C ATOM 452 O ARG A 30 17.986 28.119 63.639 1.00 0.45 O ATOM 453 CB ARG A 30 20.971 28.424 64.928 1.00 0.42 C ATOM 454 CG ARG A 30 22.311 29.058 64.774 1.00 0.44 C ATOM 455 CD ARG A 30 23.475 28.086 64.581 1.00 0.48 C ATOM 456 NE ARG A 30 23.382 26.935 65.506 1.00 0.51 N ATOM 457 CZ ARG A 30 24.039 26.891 66.669 1.00 0.51 C ATOM 458 NH1 ARG A 30 24.766 27.916 67.070 1.00 0.53 N ATOM 459 NH2 ARG A 30 23.991 25.809 67.413 1.00 0.55 N ATOM 460 HA ARG A 30 19.895 29.689 63.669 1.00 0.00 H ATOM 461 HB2 ARG A 30 20.900 28.037 65.945 1.00 0.00 H ATOM 462 HB3 ARG A 30 20.910 27.597 64.221 1.00 0.00 H ATOM 463 HG2 ARG A 30 22.275 29.717 63.906 1.00 0.00 H ATOM 464 HG3 ARG A 30 22.509 29.648 65.669 1.00 0.00 H ATOM 465 HD2 ARG A 30 24.411 28.613 64.765 1.00 0.00 H ATOM 466 HD3 ARG A 30 23.462 27.718 63.555 1.00 0.00 H ATOM 467 HE ARG A 30 22.782 26.128 65.241 1.00 0.00 H ATOM 468 HH12 ARG A 30 25.273 27.871 67.977 1.00 0.00 H ATOM 469 HH11 ARG A 30 24.832 28.769 66.479 1.00 0.00 H ATOM 470 HH22 ARG A 30 24.503 25.777 68.318 1.00 0.00 H ATOM 471 HH21 ARG A 30 23.441 24.985 67.097 1.00 0.00 H ATOM 472 H ARG A 30 20.491 30.595 66.303 1.00 0.00 H ATOM 473 N GLN A 31 17.848 28.450 65.894 1.00 0.46 N ATOM 474 CA GLN A 31 16.561 27.742 66.009 1.00 0.46 C ATOM 475 C GLN A 31 15.499 28.344 65.101 1.00 0.46 C ATOM 476 O GLN A 31 14.804 27.626 64.399 1.00 0.46 O ATOM 477 CB GLN A 31 15.998 27.890 67.465 1.00 0.54 C ATOM 478 CG GLN A 31 16.480 26.918 68.445 1.00 0.59 C ATOM 479 CD GLN A 31 15.729 26.964 69.776 1.00 0.61 C ATOM 480 OE1 GLN A 31 14.596 27.455 69.828 1.00 0.65 O ATOM 481 NE2 GLN A 31 16.389 26.488 70.818 1.00 0.64 N ATOM 482 HA GLN A 31 16.757 26.705 65.738 1.00 0.00 H ATOM 483 HB2 GLN A 31 16.262 28.884 67.825 1.00 0.00 H ATOM 484 HB3 GLN A 31 14.913 27.800 67.413 1.00 0.00 H ATOM 485 HG2 GLN A 31 16.371 25.919 68.022 1.00 0.00 H ATOM 486 HG3 GLN A 31 17.534 27.116 68.637 1.00 0.00 H ATOM 487 HE22 GLN A 31 17.341 26.090 70.693 1.00 0.00 H ATOM 488 HE21 GLN A 31 15.956 26.512 71.763 1.00 0.00 H ATOM 489 H GLN A 31 18.289 28.843 66.750 1.00 0.00 H ATOM 490 N VAL A 32 15.314 29.665 65.270 1.00 0.47 N ATOM 491 CA VAL A 32 14.250 30.352 64.553 1.00 0.47 C ATOM 492 C VAL A 32 14.553 30.377 63.053 1.00 0.48 C ATOM 493 O VAL A 32 13.693 30.189 62.222 1.00 0.47 O ATOM 494 CB VAL A 32 14.147 31.811 65.042 1.00 0.50 C ATOM 495 CG1 VAL A 32 13.061 32.526 64.230 1.00 0.51 C ATOM 496 CG2 VAL A 32 13.794 31.805 66.529 1.00 0.57 C ATOM 497 HA VAL A 32 13.316 29.821 64.737 1.00 0.00 H ATOM 498 HB VAL A 32 15.093 32.335 64.905 1.00 0.00 H ATOM 499 HG11 VAL A 32 13.328 32.507 63.173 1.00 0.00 H ATOM 500 HG12 VAL A 32 12.107 32.018 64.375 1.00 0.00 H ATOM 501 HG13 VAL A 32 12.979 33.559 64.567 1.00 0.00 H ATOM 502 HG21 VAL A 32 12.840 31.297 66.673 1.00 0.00 H ATOM 503 HG22 VAL A 32 14.573 31.282 67.084 1.00 0.00 H ATOM 504 HG23 VAL A 32 13.718 32.832 66.887 1.00 0.00 H ATOM 505 H VAL A 32 15.933 30.197 65.915 1.00 0.00 H ATOM 506 N ALA A 33 15.848 30.502 62.750 1.00 0.45 N ATOM 507 CA ALA A 33 16.250 30.577 61.338 1.00 0.46 C ATOM 508 C ALA A 33 15.993 29.277 60.610 1.00 0.48 C ATOM 509 O ALA A 33 15.732 29.244 59.380 1.00 0.51 O ATOM 510 CB ALA A 33 17.681 31.051 61.256 1.00 0.51 C ATOM 511 HA ALA A 33 15.632 31.308 60.818 1.00 0.00 H ATOM 512 HB1 ALA A 33 17.763 32.037 61.714 1.00 0.00 H ATOM 513 HB2 ALA A 33 18.326 30.349 61.785 1.00 0.00 H ATOM 514 HB3 ALA A 33 17.984 31.108 60.211 1.00 0.00 H ATOM 515 H ALA A 33 16.563 30.546 63.504 1.00 0.00 H ATOM 516 N SER A 34 16.030 28.161 61.305 1.00 0.45 N ATOM 517 CA SER A 34 15.897 26.858 60.666 1.00 0.47 C ATOM 518 C SER A 34 14.452 26.595 60.285 1.00 0.48 C ATOM 519 O SER A 34 14.189 25.698 59.467 1.00 0.50 O ATOM 520 CB SER A 34 16.406 25.773 61.638 1.00 0.50 C ATOM 521 OG SER A 34 15.487 25.526 62.658 1.00 0.53 O ATOM 522 HA SER A 34 16.491 26.838 59.752 1.00 0.00 H ATOM 523 HB2 SER A 34 17.345 26.106 62.080 1.00 0.00 H ATOM 524 HB3 SER A 34 16.575 24.851 61.082 1.00 0.00 H ATOM 525 HG SER A 34 15.333 26.359 63.171 1.00 0.00 H ATOM 526 H SER A 34 16.157 28.210 62.336 1.00 0.00 H ATOM 527 N MET A 35 13.549 27.387 60.777 1.00 0.46 N ATOM 528 CA MET A 35 12.126 27.266 60.568 1.00 0.50 C ATOM 529 C MET A 35 11.562 28.375 59.698 1.00 0.49 C ATOM 530 O MET A 35 10.349 28.387 59.452 1.00 0.56 O ATOM 531 CB MET A 35 11.321 27.180 61.868 1.00 0.52 C ATOM 532 CG MET A 35 11.633 25.955 62.687 1.00 0.54 C ATOM 533 SD MET A 35 11.156 24.425 61.977 1.00 0.56 S ATOM 534 CE MET A 35 9.369 24.451 62.090 1.00 0.62 C ATOM 535 HA MET A 35 12.015 26.318 60.042 1.00 0.00 H ATOM 536 HB2 MET A 35 11.540 28.062 62.469 1.00 0.00 H ATOM 537 HB3 MET A 35 10.260 27.167 61.617 1.00 0.00 H ATOM 538 HG2 MET A 35 11.123 26.053 63.645 1.00 0.00 H ATOM 539 HG3 MET A 35 12.710 25.927 62.851 1.00 0.00 H ATOM 540 HE1 MET A 35 9.074 24.534 63.136 1.00 0.00 H ATOM 541 HE2 MET A 35 8.983 25.305 61.534 1.00 0.00 H ATOM 542 HE3 MET A 35 8.966 23.530 61.669 1.00 0.00 H ATOM 543 H MET A 35 13.878 28.174 61.371 1.00 0.00 H ATOM 544 N THR A 36 12.418 29.303 59.284 1.00 0.46 N ATOM 545 CA THR A 36 11.975 30.445 58.479 1.00 0.48 C ATOM 546 C THR A 36 12.123 30.158 56.984 1.00 0.48 C ATOM 547 O THR A 36 13.106 29.552 56.546 1.00 0.47 O ATOM 548 CB THR A 36 12.820 31.692 58.873 1.00 0.51 C ATOM 549 OG1 THR A 36 12.655 31.857 60.330 1.00 0.57 O ATOM 550 CG2 THR A 36 12.186 32.923 58.252 1.00 0.59 C ATOM 551 HA THR A 36 10.919 30.631 58.675 1.00 0.00 H ATOM 552 HB THR A 36 13.857 31.574 58.559 1.00 0.00 H ATOM 553 HG1 THR A 36 12.981 31.044 60.792 1.00 0.00 H ATOM 554 HG23 THR A 36 12.273 32.867 57.167 1.00 0.00 H ATOM 555 HG21 THR A 36 11.133 32.968 58.532 1.00 0.00 H ATOM 556 HG22 THR A 36 12.698 33.815 58.613 1.00 0.00 H ATOM 557 H THR A 36 13.423 29.217 59.536 1.00 0.00 H ATOM 558 N LYS A 37 11.143 30.555 56.191 1.00 0.44 N ATOM 559 CA LYS A 37 11.183 30.427 54.748 1.00 0.45 C ATOM 560 C LYS A 37 11.100 31.794 54.069 1.00 0.41 C ATOM 561 O LYS A 37 10.015 32.349 53.897 1.00 0.45 O ATOM 562 CB LYS A 37 9.930 29.616 54.304 1.00 0.48 C ATOM 563 CG LYS A 37 9.993 28.203 54.923 1.00 0.60 C ATOM 564 CD LYS A 37 8.883 27.338 54.446 1.00 0.68 C ATOM 565 CE LYS A 37 9.036 25.875 54.679 1.00 0.75 C ATOM 566 NZ LYS A 37 10.189 25.298 53.864 1.00 0.79 N ATOM 567 HA LYS A 37 12.117 29.940 54.467 1.00 0.00 H ATOM 568 HB2 LYS A 37 9.028 30.124 54.645 1.00 0.00 H ATOM 569 HB3 LYS A 37 9.913 29.538 53.217 1.00 0.00 H ATOM 570 HG2 LYS A 37 10.942 27.741 54.651 1.00 0.00 H ATOM 571 HG3 LYS A 37 9.931 28.290 56.008 1.00 0.00 H ATOM 572 HD2 LYS A 37 7.971 27.661 54.949 1.00 0.00 H ATOM 573 HD3 LYS A 37 8.779 27.494 53.372 1.00 0.00 H ATOM 574 HE2 LYS A 37 8.113 25.372 54.393 1.00 0.00 H ATOM 575 HE3 LYS A 37 9.229 25.703 55.738 1.00 0.00 H ATOM 576 HZ1 LYS A 37 10.009 25.454 52.852 1.00 0.00 H ATOM 577 HZ2 LYS A 37 11.075 25.770 54.136 1.00 0.00 H ATOM 578 HZ3 LYS A 37 10.267 24.278 54.050 1.00 0.00 H ATOM 579 H LYS A 37 10.299 30.981 56.625 1.00 0.00 H ATOM 580 N PRO A 38 12.251 32.369 53.797 1.00 0.38 N ATOM 581 CA PRO A 38 12.265 33.736 53.277 1.00 0.38 C ATOM 582 C PRO A 38 11.713 33.867 51.867 1.00 0.38 C ATOM 583 O PRO A 38 11.676 32.900 51.096 1.00 0.41 O ATOM 584 CB PRO A 38 13.704 34.138 53.323 1.00 0.39 C ATOM 585 CG PRO A 38 14.422 33.097 54.124 1.00 0.42 C ATOM 586 CD PRO A 38 13.589 31.833 53.998 1.00 0.40 C ATOM 587 HA PRO A 38 11.614 34.375 53.874 1.00 0.00 H ATOM 588 HD3 PRO A 38 13.907 31.232 53.146 1.00 0.00 H ATOM 589 HD2 PRO A 38 13.642 31.231 54.905 1.00 0.00 H ATOM 590 HG3 PRO A 38 14.494 33.403 55.168 1.00 0.00 H ATOM 591 HG2 PRO A 38 15.423 32.934 53.725 1.00 0.00 H ATOM 592 HB2 PRO A 38 14.113 34.183 52.314 1.00 0.00 H ATOM 593 HB3 PRO A 38 13.806 35.113 53.799 1.00 0.00 H ATOM 594 N THR A 39 11.340 35.086 51.535 1.00 0.38 N ATOM 595 CA THR A 39 11.071 35.532 50.171 1.00 0.39 C ATOM 596 C THR A 39 12.205 36.483 49.765 1.00 0.37 C ATOM 597 O THR A 39 12.521 37.374 50.518 1.00 0.41 O ATOM 598 CB THR A 39 9.760 36.386 50.184 1.00 0.41 C ATOM 599 OG1 THR A 39 8.674 35.432 50.494 1.00 0.44 O ATOM 600 CG2 THR A 39 9.515 36.928 48.806 1.00 0.45 C ATOM 601 HA THR A 39 10.986 34.679 49.498 1.00 0.00 H ATOM 602 HB THR A 39 9.819 37.210 50.895 1.00 0.00 H ATOM 603 HG1 THR A 39 8.844 35.015 51.376 1.00 0.00 H ATOM 604 HG23 THR A 39 10.303 37.636 48.550 1.00 0.00 H ATOM 605 HG21 THR A 39 9.516 36.107 48.089 1.00 0.00 H ATOM 606 HG22 THR A 39 8.549 37.433 48.782 1.00 0.00 H ATOM 607 H THR A 39 11.229 35.781 52.300 1.00 0.00 H ATOM 608 N THR A 40 12.764 36.229 48.586 1.00 0.38 N ATOM 609 CA THR A 40 13.843 37.065 48.055 1.00 0.39 C ATOM 610 C THR A 40 13.301 37.784 46.810 1.00 0.38 C ATOM 611 O THR A 40 12.760 37.119 45.921 1.00 0.40 O ATOM 612 CB THR A 40 15.055 36.234 47.712 1.00 0.41 C ATOM 613 OG1 THR A 40 15.635 35.715 48.946 1.00 0.46 O ATOM 614 CG2 THR A 40 16.145 37.027 47.029 1.00 0.43 C ATOM 615 HA THR A 40 14.161 37.790 48.804 1.00 0.00 H ATOM 616 HB THR A 40 14.711 35.451 47.036 1.00 0.00 H ATOM 617 HG1 THR A 40 16.432 35.168 48.730 1.00 0.00 H ATOM 618 HG23 THR A 40 15.762 37.440 46.096 1.00 0.00 H ATOM 619 HG21 THR A 40 16.466 37.839 47.682 1.00 0.00 H ATOM 620 HG22 THR A 40 16.991 36.373 46.818 1.00 0.00 H ATOM 621 H THR A 40 12.428 35.418 48.028 1.00 0.00 H ATOM 622 N ILE A 41 13.451 39.114 46.809 1.00 0.35 N ATOM 623 CA ILE A 41 13.034 39.920 45.671 1.00 0.37 C ATOM 624 C ILE A 41 14.244 40.605 45.066 1.00 0.36 C ATOM 625 O ILE A 41 14.987 41.269 45.800 1.00 0.40 O ATOM 626 CB ILE A 41 11.991 41.005 46.102 1.00 0.41 C ATOM 627 CG1 ILE A 41 10.771 40.331 46.725 1.00 0.45 C ATOM 628 CG2 ILE A 41 11.544 41.740 44.811 1.00 0.45 C ATOM 629 CD1 ILE A 41 9.933 41.086 47.671 1.00 0.52 C ATOM 630 HA ILE A 41 12.568 39.262 44.938 1.00 0.00 H ATOM 631 HB ILE A 41 12.428 41.691 46.828 1.00 0.00 H ATOM 632 HG12 ILE A 41 10.124 40.023 45.904 1.00 0.00 H ATOM 633 HG13 ILE A 41 11.131 39.448 47.254 1.00 0.00 H ATOM 634 HD11 ILE A 41 10.537 41.393 48.525 1.00 0.00 H ATOM 635 HD12 ILE A 41 9.530 41.968 47.173 1.00 0.00 H ATOM 636 HD13 ILE A 41 9.114 40.454 48.013 1.00 0.00 H ATOM 637 HG21 ILE A 41 12.411 42.203 44.339 1.00 0.00 H ATOM 638 HG22 ILE A 41 11.094 41.023 44.124 1.00 0.00 H ATOM 639 HG23 ILE A 41 10.814 42.508 45.066 1.00 0.00 H ATOM 640 H ILE A 41 13.874 39.580 47.637 1.00 0.00 H ATOM 641 N ILE A 42 14.418 40.404 43.768 1.00 0.38 N ATOM 642 CA ILE A 42 15.496 40.989 43.030 1.00 0.36 C ATOM 643 C ILE A 42 14.968 41.895 41.915 1.00 0.38 C ATOM 644 O ILE A 42 14.145 41.445 41.111 1.00 0.38 O ATOM 645 CB ILE A 42 16.439 39.923 42.430 1.00 0.41 C ATOM 646 CG1 ILE A 42 16.847 38.878 43.465 1.00 0.40 C ATOM 647 CG2 ILE A 42 17.674 40.624 41.884 1.00 0.44 C ATOM 648 CD1 ILE A 42 17.731 37.758 43.007 1.00 0.43 C ATOM 649 HA ILE A 42 16.070 41.586 43.738 1.00 0.00 H ATOM 650 HB ILE A 42 15.912 39.398 41.633 1.00 0.00 H ATOM 651 HG12 ILE A 42 17.369 39.399 44.267 1.00 0.00 H ATOM 652 HG13 ILE A 42 15.933 38.433 43.858 1.00 0.00 H ATOM 653 HD11 ILE A 42 17.229 37.200 42.216 1.00 0.00 H ATOM 654 HD12 ILE A 42 18.667 38.168 42.626 1.00 0.00 H ATOM 655 HD13 ILE A 42 17.938 37.094 43.846 1.00 0.00 H ATOM 656 HG21 ILE A 42 17.376 41.334 41.113 1.00 0.00 H ATOM 657 HG22 ILE A 42 18.177 41.154 42.693 1.00 0.00 H ATOM 658 HG23 ILE A 42 18.351 39.884 41.456 1.00 0.00 H ATOM 659 H ILE A 42 13.742 39.795 43.264 1.00 0.00 H ATOM 660 N GLU A 43 15.387 43.187 41.988 1.00 0.38 N ATOM 661 CA GLU A 43 14.829 44.168 41.013 1.00 0.37 C ATOM 662 C GLU A 43 16.014 45.021 40.506 1.00 0.37 C ATOM 663 O GLU A 43 17.025 45.136 41.171 1.00 0.39 O ATOM 664 CB GLU A 43 13.946 45.154 41.833 1.00 0.45 C ATOM 665 CG GLU A 43 12.568 44.648 42.161 1.00 0.55 C ATOM 666 CD GLU A 43 11.777 45.639 43.023 1.00 0.58 C ATOM 667 OE1 GLU A 43 12.309 46.030 44.080 1.00 0.64 O ATOM 668 OE2 GLU A 43 10.683 46.010 42.644 1.00 0.69 O ATOM 669 HA GLU A 43 14.288 43.670 40.209 1.00 0.00 H ATOM 670 HB2 GLU A 43 14.460 45.370 42.770 1.00 0.00 H ATOM 671 HB3 GLU A 43 13.841 46.074 41.257 1.00 0.00 H ATOM 672 HG2 GLU A 43 12.025 44.480 41.231 1.00 0.00 H ATOM 673 HG3 GLU A 43 12.659 43.706 42.702 1.00 0.00 H ATOM 674 H GLU A 43 16.079 43.483 42.706 1.00 0.00 H ATOM 675 N LYS A 44 15.798 45.634 39.341 1.00 0.37 N ATOM 676 CA LYS A 44 16.846 46.462 38.725 1.00 0.41 C ATOM 677 C LYS A 44 16.253 47.812 38.310 1.00 0.38 C ATOM 678 O LYS A 44 15.068 47.872 37.956 1.00 0.38 O ATOM 679 CB LYS A 44 17.456 45.745 37.536 1.00 0.44 C ATOM 680 CG LYS A 44 17.200 46.204 36.160 1.00 0.54 C ATOM 681 CD LYS A 44 17.977 45.399 35.123 1.00 0.54 C ATOM 682 CE LYS A 44 17.109 45.177 33.883 1.00 0.59 C ATOM 683 NZ LYS A 44 18.009 44.902 32.712 1.00 0.61 N ATOM 684 HA LYS A 44 17.641 46.638 39.450 1.00 0.00 H ATOM 685 HB2 LYS A 44 18.536 45.775 37.677 1.00 0.00 H ATOM 686 HB3 LYS A 44 17.112 44.712 37.587 1.00 0.00 H ATOM 687 HG2 LYS A 44 16.134 46.108 35.951 1.00 0.00 H ATOM 688 HG3 LYS A 44 17.491 47.251 36.080 1.00 0.00 H ATOM 689 HD2 LYS A 44 18.878 45.944 34.842 1.00 0.00 H ATOM 690 HD3 LYS A 44 18.256 44.434 35.548 1.00 0.00 H ATOM 691 HE2 LYS A 44 16.513 46.068 33.687 1.00 0.00 H ATOM 692 HE3 LYS A 44 16.447 44.327 34.045 1.00 0.00 H ATOM 693 HZ1 LYS A 44 18.640 45.715 32.563 1.00 0.00 H ATOM 694 HZ2 LYS A 44 18.577 44.052 32.905 1.00 0.00 H ATOM 695 HZ3 LYS A 44 17.431 44.749 31.861 1.00 0.00 H ATOM 696 H LYS A 44 14.880 45.525 38.864 1.00 0.00 H ATOM 697 N ASN A 45 17.018 48.854 38.446 1.00 0.35 N ATOM 698 CA ASN A 45 16.636 50.184 37.888 1.00 0.36 C ATOM 699 C ASN A 45 17.879 50.744 37.237 1.00 0.36 C ATOM 700 O ASN A 45 18.822 51.132 37.914 1.00 0.37 O ATOM 701 CB ASN A 45 16.114 51.044 39.003 1.00 0.39 C ATOM 702 CG ASN A 45 15.648 52.423 38.596 1.00 0.44 C ATOM 703 OD1 ASN A 45 15.158 53.216 39.439 1.00 0.48 O ATOM 704 ND2 ASN A 45 15.817 52.754 37.358 1.00 0.40 N ATOM 705 HA ASN A 45 15.842 50.128 37.143 1.00 0.00 H ATOM 706 HB2 ASN A 45 15.272 50.526 39.461 1.00 0.00 H ATOM 707 HB3 ASN A 45 16.910 51.161 39.738 1.00 0.00 H ATOM 708 HD22 ASN A 45 16.226 52.071 36.688 1.00 0.00 H ATOM 709 HD21 ASN A 45 15.544 53.703 37.032 1.00 0.00 H ATOM 710 H ASN A 45 17.919 48.758 38.957 1.00 0.00 H ATOM 711 N GLY A 46 17.989 50.592 35.905 1.00 0.40 N ATOM 712 CA GLY A 46 19.289 50.958 35.299 1.00 0.41 C ATOM 713 C GLY A 46 20.364 49.992 35.741 1.00 0.41 C ATOM 714 O GLY A 46 20.155 48.795 35.679 1.00 0.47 O ATOM 715 HA3 GLY A 46 19.561 51.966 35.611 1.00 0.00 H ATOM 716 HA2 GLY A 46 19.201 50.927 34.213 1.00 0.00 H ATOM 717 H GLY A 46 17.200 50.235 35.329 1.00 0.00 H ATOM 718 N ASP A 47 21.502 50.517 36.188 1.00 0.44 N ATOM 719 CA ASP A 47 22.600 49.691 36.623 1.00 0.49 C ATOM 720 C ASP A 47 22.550 49.463 38.117 1.00 0.43 C ATOM 721 O ASP A 47 23.535 48.944 38.676 1.00 0.44 O ATOM 722 CB ASP A 47 23.962 50.267 36.187 1.00 0.55 C ATOM 723 CG ASP A 47 24.203 51.613 36.778 1.00 0.59 C ATOM 724 OD1 ASP A 47 23.289 52.168 37.409 1.00 0.62 O ATOM 725 OD2 ASP A 47 25.301 52.192 36.565 1.00 0.73 O ATOM 726 HA ASP A 47 22.492 48.723 36.133 1.00 0.00 H ATOM 727 HB2 ASP A 47 24.753 49.591 36.512 1.00 0.00 H ATOM 728 HB3 ASP A 47 23.980 50.349 35.100 1.00 0.00 H ATOM 729 H ASP A 47 21.602 51.552 36.224 1.00 0.00 H ATOM 730 N ILE A 48 21.485 49.831 38.798 1.00 0.39 N ATOM 731 CA ILE A 48 21.411 49.570 40.262 1.00 0.39 C ATOM 732 C ILE A 48 20.518 48.372 40.523 1.00 0.37 C ATOM 733 O ILE A 48 19.366 48.354 40.044 1.00 0.39 O ATOM 734 CB ILE A 48 20.896 50.752 41.052 1.00 0.41 C ATOM 735 CG1 ILE A 48 21.670 52.083 40.864 1.00 0.44 C ATOM 736 CG2 ILE A 48 20.848 50.428 42.561 1.00 0.43 C ATOM 737 CD1 ILE A 48 23.158 51.901 40.879 1.00 0.57 C ATOM 738 HA ILE A 48 22.430 49.376 40.597 1.00 0.00 H ATOM 739 HB ILE A 48 19.900 50.916 40.641 1.00 0.00 H ATOM 740 HG12 ILE A 48 21.383 52.520 39.908 1.00 0.00 H ATOM 741 HG13 ILE A 48 21.394 52.763 41.670 1.00 0.00 H ATOM 742 HD11 ILE A 48 23.461 51.473 41.835 1.00 0.00 H ATOM 743 HD12 ILE A 48 23.449 51.230 40.070 1.00 0.00 H ATOM 744 HD13 ILE A 48 23.642 52.868 40.743 1.00 0.00 H ATOM 745 HG21 ILE A 48 20.185 49.579 42.728 1.00 0.00 H ATOM 746 HG22 ILE A 48 21.851 50.182 42.911 1.00 0.00 H ATOM 747 HG23 ILE A 48 20.474 51.295 43.106 1.00 0.00 H ATOM 748 H ILE A 48 20.696 50.304 38.313 1.00 0.00 H ATOM 749 N LEU A 49 21.036 47.370 41.208 1.00 0.35 N ATOM 750 CA LEU A 49 20.244 46.205 41.608 1.00 0.39 C ATOM 751 C LEU A 49 19.831 46.397 43.091 1.00 0.39 C ATOM 752 O LEU A 49 20.631 46.921 43.860 1.00 0.40 O ATOM 753 CB LEU A 49 21.104 44.923 41.500 1.00 0.40 C ATOM 754 CG LEU A 49 21.425 44.448 40.055 1.00 0.47 C ATOM 755 CD1 LEU A 49 22.244 43.176 40.077 1.00 0.56 C ATOM 756 CD2 LEU A 49 20.157 44.188 39.291 1.00 0.57 C ATOM 757 HA LEU A 49 19.370 46.109 40.963 1.00 0.00 H ATOM 758 HB2 LEU A 49 22.049 45.109 42.010 1.00 0.00 H ATOM 759 HB3 LEU A 49 20.572 44.118 42.007 1.00 0.00 H ATOM 760 HG LEU A 49 21.994 45.240 39.568 1.00 0.00 H ATOM 761 HD21 LEU A 49 19.581 43.414 39.798 1.00 0.00 H ATOM 762 HD22 LEU A 49 19.570 45.105 39.240 1.00 0.00 H ATOM 763 HD23 LEU A 49 20.404 43.857 38.282 1.00 0.00 H ATOM 764 HD11 LEU A 49 23.181 43.358 40.604 1.00 0.00 H ATOM 765 HD12 LEU A 49 21.684 42.393 40.588 1.00 0.00 H ATOM 766 HD13 LEU A 49 22.456 42.864 39.054 1.00 0.00 H ATOM 767 H LEU A 49 22.041 47.409 41.473 1.00 0.00 H ATOM 768 N THR A 50 18.671 45.919 43.441 1.00 0.35 N ATOM 769 CA THR A 50 18.198 45.902 44.850 1.00 0.37 C ATOM 770 C THR A 50 17.752 44.478 45.166 1.00 0.36 C ATOM 771 O THR A 50 17.085 43.845 44.343 1.00 0.39 O ATOM 772 CB THR A 50 17.009 46.843 45.033 1.00 0.38 C ATOM 773 OG1 THR A 50 17.484 48.169 44.718 1.00 0.40 O ATOM 774 CG2 THR A 50 16.487 46.865 46.452 1.00 0.43 C ATOM 775 HA THR A 50 19.000 46.228 45.512 1.00 0.00 H ATOM 776 HB THR A 50 16.195 46.504 44.392 1.00 0.00 H ATOM 777 HG1 THR A 50 18.223 48.408 45.332 1.00 0.00 H ATOM 778 HG23 THR A 50 16.120 45.874 46.718 1.00 0.00 H ATOM 779 HG21 THR A 50 17.292 47.150 47.129 1.00 0.00 H ATOM 780 HG22 THR A 50 15.674 47.587 46.527 1.00 0.00 H ATOM 781 H THR A 50 18.049 45.533 42.703 1.00 0.00 H ATOM 782 N LEU A 51 18.293 43.995 46.264 1.00 0.33 N ATOM 783 CA LEU A 51 17.984 42.615 46.691 1.00 0.34 C ATOM 784 C LEU A 51 17.351 42.713 48.081 1.00 0.34 C ATOM 785 O LEU A 51 18.012 43.126 49.030 1.00 0.35 O ATOM 786 CB LEU A 51 19.285 41.800 46.694 1.00 0.38 C ATOM 787 CG LEU A 51 19.027 40.254 46.638 1.00 0.45 C ATOM 788 CD1 LEU A 51 20.291 39.538 46.154 1.00 0.50 C ATOM 789 CD2 LEU A 51 18.788 39.850 48.094 1.00 0.53 C ATOM 790 HA LEU A 51 17.289 42.110 46.020 1.00 0.00 H ATOM 791 HB2 LEU A 51 19.879 42.087 45.826 1.00 0.00 H ATOM 792 HB3 LEU A 51 19.839 42.029 47.604 1.00 0.00 H ATOM 793 HG LEU A 51 18.201 40.002 45.973 1.00 0.00 H ATOM 794 HD21 LEU A 51 19.670 40.093 48.687 1.00 0.00 H ATOM 795 HD22 LEU A 51 17.926 40.392 48.483 1.00 0.00 H ATOM 796 HD23 LEU A 51 18.599 38.778 48.146 1.00 0.00 H ATOM 797 HD11 LEU A 51 20.552 39.898 45.159 1.00 0.00 H ATOM 798 HD12 LEU A 51 21.110 39.744 46.843 1.00 0.00 H ATOM 799 HD13 LEU A 51 20.107 38.464 46.117 1.00 0.00 H ATOM 800 H LEU A 51 18.937 44.584 46.830 1.00 0.00 H ATOM 801 N LYS A 52 16.080 42.327 48.200 1.00 0.35 N ATOM 802 CA LYS A 52 15.349 42.303 49.423 1.00 0.36 C ATOM 803 C LYS A 52 15.175 40.829 49.896 1.00 0.41 C ATOM 804 O LYS A 52 14.864 40.003 49.054 1.00 0.41 O ATOM 805 CB LYS A 52 13.939 42.909 49.223 1.00 0.39 C ATOM 806 CG LYS A 52 13.963 44.383 48.756 1.00 0.45 C ATOM 807 CD LYS A 52 12.512 44.800 48.472 1.00 0.52 C ATOM 808 CE LYS A 52 12.428 46.260 48.089 1.00 0.55 C ATOM 809 NZ LYS A 52 11.290 46.499 47.130 1.00 0.61 N ATOM 810 HA LYS A 52 15.900 42.884 50.162 1.00 0.00 H ATOM 811 HB2 LYS A 52 13.412 42.318 48.474 1.00 0.00 H ATOM 812 HB3 LYS A 52 13.402 42.855 50.170 1.00 0.00 H ATOM 813 HG2 LYS A 52 14.386 45.015 49.537 1.00 0.00 H ATOM 814 HG3 LYS A 52 14.562 44.477 47.850 1.00 0.00 H ATOM 815 HD2 LYS A 52 12.121 44.194 47.654 1.00 0.00 H ATOM 816 HD3 LYS A 52 11.912 44.632 49.366 1.00 0.00 H ATOM 817 HE2 LYS A 52 13.363 46.560 47.616 1.00 0.00 H ATOM 818 HE3 LYS A 52 12.269 46.857 48.987 1.00 0.00 H ATOM 819 HZ1 LYS A 52 11.439 45.935 46.269 1.00 0.00 H ATOM 820 HZ2 LYS A 52 10.395 46.218 47.579 1.00 0.00 H ATOM 821 HZ3 LYS A 52 11.253 47.508 46.882 1.00 0.00 H ATOM 822 H LYS A 52 15.586 42.021 47.337 1.00 0.00 H ATOM 823 N THR A 53 15.380 40.625 51.174 1.00 0.34 N ATOM 824 CA THR A 53 15.090 39.314 51.808 1.00 0.38 C ATOM 825 C THR A 53 14.120 39.536 52.971 1.00 0.38 C ATOM 826 O THR A 53 14.480 40.295 53.881 1.00 0.42 O ATOM 827 CB THR A 53 16.371 38.662 52.328 1.00 0.38 C ATOM 828 OG1 THR A 53 17.314 38.639 51.229 1.00 0.41 O ATOM 829 CG2 THR A 53 16.136 37.166 52.652 1.00 0.44 C ATOM 830 HA THR A 53 14.649 38.650 51.065 1.00 0.00 H ATOM 831 HB THR A 53 16.706 39.211 53.208 1.00 0.00 H ATOM 832 HG1 THR A 53 18.160 38.222 51.530 1.00 0.00 H ATOM 833 HG23 THR A 53 15.430 37.081 53.478 1.00 0.00 H ATOM 834 HG21 THR A 53 15.731 36.665 51.773 1.00 0.00 H ATOM 835 HG22 THR A 53 17.082 36.703 52.932 1.00 0.00 H ATOM 836 H THR A 53 15.755 41.400 51.758 1.00 0.00 H ATOM 837 N HIS A 54 12.885 39.063 52.829 1.00 0.42 N ATOM 838 CA HIS A 54 11.800 39.204 53.741 1.00 0.41 C ATOM 839 C HIS A 54 11.462 37.874 54.450 1.00 0.41 C ATOM 840 O HIS A 54 11.385 36.833 53.818 1.00 0.42 O ATOM 841 CB HIS A 54 10.508 39.681 53.058 1.00 0.42 C ATOM 842 CG HIS A 54 10.607 41.043 52.454 1.00 0.44 C ATOM 843 ND1 HIS A 54 11.555 41.941 52.768 1.00 0.48 N ATOM 844 CD2 HIS A 54 9.835 41.643 51.547 1.00 0.46 C ATOM 845 CE1 HIS A 54 11.369 43.086 52.053 1.00 0.48 C ATOM 846 NE2 HIS A 54 10.334 42.895 51.308 1.00 0.49 N ATOM 847 HA HIS A 54 12.141 39.950 54.459 1.00 0.00 H ATOM 848 HB2 HIS A 54 10.256 38.973 52.268 1.00 0.00 H ATOM 849 HB3 HIS A 54 9.711 39.693 53.802 1.00 0.00 H ATOM 850 HD2 HIS A 54 8.954 41.209 51.075 1.00 0.00 H ATOM 851 HE1 HIS A 54 11.978 43.989 52.101 1.00 0.00 H ATOM 852 H HIS A 54 12.690 38.532 51.956 1.00 0.00 H ATOM 853 N SER A 55 11.225 37.991 55.755 1.00 0.45 N ATOM 854 CA SER A 55 10.688 36.827 56.495 1.00 0.45 C ATOM 855 C SER A 55 9.974 37.347 57.746 1.00 0.47 C ATOM 856 O SER A 55 10.001 38.526 58.065 1.00 0.46 O ATOM 857 CB SER A 55 11.838 35.934 56.908 1.00 0.46 C ATOM 858 OG SER A 55 12.654 36.525 57.897 1.00 0.45 O ATOM 859 HA SER A 55 9.995 36.261 55.872 1.00 0.00 H ATOM 860 HB2 SER A 55 12.449 35.723 56.031 1.00 0.00 H ATOM 861 HB3 SER A 55 11.433 35.001 57.300 1.00 0.00 H ATOM 862 HG SER A 55 13.034 37.370 57.548 1.00 0.00 H ATOM 863 H SER A 55 11.414 38.887 56.247 1.00 0.00 H ATOM 864 N THR A 56 9.416 36.384 58.496 1.00 0.49 N ATOM 865 CA THR A 56 8.793 36.771 59.762 1.00 0.54 C ATOM 866 C THR A 56 9.815 37.117 60.825 1.00 0.53 C ATOM 867 O THR A 56 9.497 37.737 61.829 1.00 0.58 O ATOM 868 CB THR A 56 7.875 35.637 60.253 1.00 0.56 C ATOM 869 OG1 THR A 56 8.652 34.392 60.144 1.00 0.59 O ATOM 870 CG2 THR A 56 6.737 35.457 59.271 1.00 0.54 C ATOM 871 HA THR A 56 8.206 37.671 59.581 1.00 0.00 H ATOM 872 HB THR A 56 7.515 35.857 61.258 1.00 0.00 H ATOM 873 HG1 THR A 56 8.098 33.631 60.451 1.00 0.00 H ATOM 874 HG23 THR A 56 6.103 36.343 59.286 1.00 0.00 H ATOM 875 HG21 THR A 56 7.142 35.315 58.269 1.00 0.00 H ATOM 876 HG22 THR A 56 6.150 34.583 59.554 1.00 0.00 H ATOM 877 H THR A 56 9.426 35.391 58.186 1.00 0.00 H ATOM 878 N PHE A 57 11.062 36.725 60.653 1.00 0.51 N ATOM 879 CA PHE A 57 12.087 36.898 61.658 1.00 0.53 C ATOM 880 C PHE A 57 12.854 38.199 61.468 1.00 0.53 C ATOM 881 O PHE A 57 12.945 39.031 62.383 1.00 0.55 O ATOM 882 CB PHE A 57 13.068 35.716 61.582 1.00 0.55 C ATOM 883 CG PHE A 57 14.201 35.755 62.601 1.00 0.58 C ATOM 884 CD1 PHE A 57 14.083 36.409 63.807 1.00 0.60 C ATOM 885 CD2 PHE A 57 15.370 35.047 62.356 1.00 0.61 C ATOM 886 CE1 PHE A 57 15.098 36.393 64.750 1.00 0.61 C ATOM 887 CE2 PHE A 57 16.374 34.969 63.291 1.00 0.62 C ATOM 888 CZ PHE A 57 16.267 35.699 64.483 1.00 0.63 C ATOM 889 HA PHE A 57 11.601 36.936 62.633 1.00 0.00 H ATOM 890 HB2 PHE A 57 12.504 34.797 61.738 1.00 0.00 H ATOM 891 HB3 PHE A 57 13.509 35.705 60.585 1.00 0.00 H ATOM 892 HD2 PHE A 57 15.494 34.541 61.399 1.00 0.00 H ATOM 893 HE2 PHE A 57 17.248 34.344 63.107 1.00 0.00 H ATOM 894 HZ PHE A 57 17.095 35.720 65.192 1.00 0.00 H ATOM 895 HE1 PHE A 57 14.978 36.923 65.695 1.00 0.00 H ATOM 896 HD1 PHE A 57 13.165 36.955 64.026 1.00 0.00 H ATOM 897 H PHE A 57 11.320 36.271 59.754 1.00 0.00 H ATOM 898 N LYS A 58 13.450 38.377 60.322 1.00 0.55 N ATOM 899 CA LYS A 58 14.287 39.557 60.067 1.00 0.54 C ATOM 900 C LYS A 58 14.082 39.906 58.557 1.00 0.52 C ATOM 901 O LYS A 58 13.796 38.997 57.792 1.00 0.45 O ATOM 902 CB LYS A 58 15.772 39.143 60.183 1.00 0.61 C ATOM 903 CG LYS A 58 16.263 38.864 61.586 1.00 0.66 C ATOM 904 CD LYS A 58 17.747 39.172 61.708 1.00 0.72 C ATOM 905 CE LYS A 58 18.148 40.274 60.701 1.00 0.74 C ATOM 906 NZ LYS A 58 18.175 41.613 61.366 1.00 0.85 N ATOM 907 HA LYS A 58 14.039 40.367 60.753 1.00 0.00 H ATOM 908 HB2 LYS A 58 15.916 38.239 59.591 1.00 0.00 H ATOM 909 HB3 LYS A 58 16.379 39.948 59.769 1.00 0.00 H ATOM 910 HG2 LYS A 58 15.709 39.486 62.289 1.00 0.00 H ATOM 911 HG3 LYS A 58 16.095 37.813 61.822 1.00 0.00 H ATOM 912 HD2 LYS A 58 17.962 39.513 62.721 1.00 0.00 H ATOM 913 HD3 LYS A 58 18.321 38.269 61.501 1.00 0.00 H ATOM 914 HE2 LYS A 58 17.425 40.294 59.885 1.00 0.00 H ATOM 915 HE3 LYS A 58 19.138 40.052 60.303 1.00 0.00 H ATOM 916 HZ1 LYS A 58 17.231 41.830 61.744 1.00 0.00 H ATOM 917 HZ2 LYS A 58 18.866 41.599 62.143 1.00 0.00 H ATOM 918 HZ3 LYS A 58 18.447 42.338 60.672 1.00 0.00 H ATOM 919 H LYS A 58 13.330 37.667 59.571 1.00 0.00 H ATOM 920 N ASN A 59 14.383 41.111 58.211 1.00 0.47 N ATOM 921 CA ASN A 59 14.306 41.568 56.821 1.00 0.45 C ATOM 922 C ASN A 59 15.613 42.328 56.508 1.00 0.43 C ATOM 923 O ASN A 59 16.112 43.083 57.350 1.00 0.46 O ATOM 924 CB ASN A 59 13.134 42.592 56.685 1.00 0.49 C ATOM 925 CG ASN A 59 11.811 41.940 56.950 1.00 0.52 C ATOM 926 OD1 ASN A 59 11.370 41.049 56.249 1.00 0.48 O ATOM 927 ND2 ASN A 59 11.247 42.213 58.138 1.00 0.61 N ATOM 928 HA ASN A 59 14.155 40.720 56.153 1.00 0.00 H ATOM 929 HB2 ASN A 59 13.282 43.400 57.402 1.00 0.00 H ATOM 930 HB3 ASN A 59 13.133 43.000 55.674 1.00 0.00 H ATOM 931 HD22 ASN A 59 11.629 42.976 58.732 1.00 0.00 H ATOM 932 HD21 ASN A 59 10.428 41.661 58.464 1.00 0.00 H ATOM 933 H ASN A 59 14.691 41.782 58.944 1.00 0.00 H ATOM 934 N THR A 60 16.071 42.189 55.295 1.00 0.37 N ATOM 935 CA THR A 60 17.228 42.903 54.814 1.00 0.36 C ATOM 936 C THR A 60 16.962 43.516 53.433 1.00 0.35 C ATOM 937 O THR A 60 16.111 42.996 52.725 1.00 0.38 O ATOM 938 CB THR A 60 18.504 42.081 54.744 1.00 0.39 C ATOM 939 OG1 THR A 60 18.274 40.920 53.923 1.00 0.37 O ATOM 940 CG2 THR A 60 18.859 41.583 56.152 1.00 0.41 C ATOM 941 HA THR A 60 17.394 43.679 55.561 1.00 0.00 H ATOM 942 HB THR A 60 19.305 42.696 54.334 1.00 0.00 H ATOM 943 HG1 THR A 60 18.013 41.208 53.012 1.00 0.00 H ATOM 944 HG23 THR A 60 19.040 42.438 56.803 1.00 0.00 H ATOM 945 HG21 THR A 60 18.032 40.993 56.547 1.00 0.00 H ATOM 946 HG22 THR A 60 19.756 40.966 56.102 1.00 0.00 H ATOM 947 H THR A 60 15.582 41.537 54.649 1.00 0.00 H ATOM 948 N GLU A 61 17.684 44.570 53.138 1.00 0.33 N ATOM 949 CA GLU A 61 17.637 45.193 51.798 1.00 0.34 C ATOM 950 C GLU A 61 18.996 45.800 51.502 1.00 0.35 C ATOM 951 O GLU A 61 19.557 46.522 52.310 1.00 0.37 O ATOM 952 CB GLU A 61 16.544 46.252 51.738 1.00 0.38 C ATOM 953 CG GLU A 61 16.492 46.965 50.359 1.00 0.35 C ATOM 954 CD GLU A 61 15.370 47.974 50.315 1.00 0.36 C ATOM 955 OE1 GLU A 61 14.268 47.647 50.807 1.00 0.39 O ATOM 956 OE2 GLU A 61 15.569 49.069 49.714 1.00 0.40 O ATOM 957 HA GLU A 61 17.402 44.439 51.046 1.00 0.00 H ATOM 958 HB2 GLU A 61 15.582 45.774 51.923 1.00 0.00 H ATOM 959 HB3 GLU A 61 16.733 46.996 52.511 1.00 0.00 H ATOM 960 HG2 GLU A 61 17.439 47.476 50.186 1.00 0.00 H ATOM 961 HG3 GLU A 61 16.334 46.221 49.578 1.00 0.00 H ATOM 962 H GLU A 61 18.306 44.978 53.865 1.00 0.00 H ATOM 963 N ILE A 62 19.555 45.479 50.341 1.00 0.35 N ATOM 964 CA ILE A 62 20.787 46.161 49.881 1.00 0.35 C ATOM 965 C ILE A 62 20.571 46.619 48.419 1.00 0.35 C ATOM 966 O ILE A 62 19.841 45.992 47.676 1.00 0.38 O ATOM 967 CB ILE A 62 21.970 45.176 49.907 1.00 0.37 C ATOM 968 CG1 ILE A 62 21.658 43.834 49.145 1.00 0.38 C ATOM 969 CG2 ILE A 62 22.371 44.872 51.316 1.00 0.46 C ATOM 970 CD1 ILE A 62 22.973 42.998 49.094 1.00 0.41 C ATOM 971 HA ILE A 62 21.001 47.009 50.532 1.00 0.00 H ATOM 972 HB ILE A 62 22.793 45.666 49.387 1.00 0.00 H ATOM 973 HG12 ILE A 62 20.885 43.278 49.675 1.00 0.00 H ATOM 974 HG13 ILE A 62 21.318 44.052 48.133 1.00 0.00 H ATOM 975 HD11 ILE A 62 23.741 43.563 48.566 1.00 0.00 H ATOM 976 HD12 ILE A 62 23.308 42.788 50.110 1.00 0.00 H ATOM 977 HD13 ILE A 62 22.786 42.061 48.570 1.00 0.00 H ATOM 978 HG21 ILE A 62 22.668 45.795 51.815 1.00 0.00 H ATOM 979 HG22 ILE A 62 21.528 44.427 51.844 1.00 0.00 H ATOM 980 HG23 ILE A 62 23.208 44.174 51.312 1.00 0.00 H ATOM 981 H ILE A 62 19.123 44.741 49.749 1.00 0.00 H ATOM 982 N SER A 63 21.172 47.718 48.066 1.00 0.33 N ATOM 983 CA SER A 63 21.247 48.194 46.708 1.00 0.36 C ATOM 984 C SER A 63 22.710 48.341 46.276 1.00 0.36 C ATOM 985 O SER A 63 23.530 48.786 47.113 1.00 0.39 O ATOM 986 CB SER A 63 20.482 49.485 46.495 1.00 0.36 C ATOM 987 OG SER A 63 19.103 49.301 46.703 1.00 0.39 O ATOM 988 HA SER A 63 20.765 47.446 46.078 1.00 0.00 H ATOM 989 HB2 SER A 63 20.645 49.830 45.474 1.00 0.00 H ATOM 990 HB3 SER A 63 20.850 50.236 47.194 1.00 0.00 H ATOM 991 HG SER A 63 18.762 48.623 46.067 1.00 0.00 H ATOM 992 H SER A 63 21.626 48.287 48.809 1.00 0.00 H ATOM 993 N PHE A 64 23.054 47.948 45.057 1.00 0.36 N ATOM 994 CA PHE A 64 24.473 47.999 44.654 1.00 0.35 C ATOM 995 C PHE A 64 24.554 48.065 43.149 1.00 0.33 C ATOM 996 O PHE A 64 23.572 47.747 42.440 1.00 0.38 O ATOM 997 CB PHE A 64 25.232 46.746 45.144 1.00 0.38 C ATOM 998 CG PHE A 64 24.532 45.481 44.743 1.00 0.37 C ATOM 999 CD1 PHE A 64 24.818 44.859 43.536 1.00 0.38 C ATOM 1000 CD2 PHE A 64 23.598 44.907 45.566 1.00 0.39 C ATOM 1001 CE1 PHE A 64 24.207 43.646 43.197 1.00 0.41 C ATOM 1002 CE2 PHE A 64 22.988 43.705 45.234 1.00 0.41 C ATOM 1003 CZ PHE A 64 23.302 43.064 44.065 1.00 0.39 C ATOM 1004 HA PHE A 64 24.931 48.881 45.102 1.00 0.00 H ATOM 1005 HB2 PHE A 64 26.233 46.748 44.713 1.00 0.00 H ATOM 1006 HB3 PHE A 64 25.306 46.780 46.231 1.00 0.00 H ATOM 1007 HD2 PHE A 64 23.329 45.404 46.498 1.00 0.00 H ATOM 1008 HE2 PHE A 64 22.253 43.268 45.909 1.00 0.00 H ATOM 1009 HZ PHE A 64 22.843 42.106 43.822 1.00 0.00 H ATOM 1010 HE1 PHE A 64 24.444 43.161 42.250 1.00 0.00 H ATOM 1011 HD1 PHE A 64 25.525 45.319 42.846 1.00 0.00 H ATOM 1012 H PHE A 64 22.331 47.607 44.392 1.00 0.00 H ATOM 1013 N LYS A 65 25.711 48.442 42.673 1.00 0.36 N ATOM 1014 CA LYS A 65 26.067 48.291 41.251 1.00 0.39 C ATOM 1015 C LYS A 65 27.069 47.095 41.186 1.00 0.37 C ATOM 1016 O LYS A 65 27.862 46.937 42.086 1.00 0.39 O ATOM 1017 CB LYS A 65 26.860 49.565 40.828 1.00 0.45 C ATOM 1018 CG LYS A 65 26.050 50.832 40.909 1.00 0.59 C ATOM 1019 CD LYS A 65 26.819 51.965 40.085 1.00 0.63 C ATOM 1020 CE LYS A 65 27.771 51.208 39.160 1.00 0.67 C ATOM 1021 NZ LYS A 65 28.257 52.041 38.012 1.00 0.77 N ATOM 1022 HA LYS A 65 25.190 48.143 40.621 1.00 0.00 H ATOM 1023 HB2 LYS A 65 27.725 49.666 41.483 1.00 0.00 H ATOM 1024 HB3 LYS A 65 27.197 49.436 39.800 1.00 0.00 H ATOM 1025 HG2 LYS A 65 25.062 50.668 40.479 1.00 0.00 H ATOM 1026 HG3 LYS A 65 25.945 51.138 41.950 1.00 0.00 H ATOM 1027 HD2 LYS A 65 26.115 52.561 39.505 1.00 0.00 H ATOM 1028 HD3 LYS A 65 27.376 52.616 40.758 1.00 0.00 H ATOM 1029 HE2 LYS A 65 27.250 50.337 38.762 1.00 0.00 H ATOM 1030 HE3 LYS A 65 28.633 50.880 39.741 1.00 0.00 H ATOM 1031 HZ1 LYS A 65 27.444 52.353 37.443 1.00 0.00 H ATOM 1032 HZ2 LYS A 65 28.765 52.871 38.378 1.00 0.00 H ATOM 1033 HZ3 LYS A 65 28.898 51.474 37.421 1.00 0.00 H ATOM 1034 H LYS A 65 26.406 48.864 43.321 1.00 0.00 H ATOM 1035 N LEU A 66 26.978 46.336 40.100 1.00 0.38 N ATOM 1036 CA LEU A 66 27.887 45.236 39.863 1.00 0.37 C ATOM 1037 C LEU A 66 29.295 45.755 39.779 1.00 0.39 C ATOM 1038 O LEU A 66 29.573 46.783 39.136 1.00 0.42 O ATOM 1039 CB LEU A 66 27.473 44.441 38.632 1.00 0.39 C ATOM 1040 CG LEU A 66 26.144 43.681 38.668 1.00 0.41 C ATOM 1041 CD1 LEU A 66 25.850 43.054 37.290 1.00 0.48 C ATOM 1042 CD2 LEU A 66 26.186 42.569 39.681 1.00 0.42 C ATOM 1043 HA LEU A 66 27.843 44.539 40.700 1.00 0.00 H ATOM 1044 HB2 LEU A 66 27.421 45.141 37.798 1.00 0.00 H ATOM 1045 HB3 LEU A 66 28.258 43.709 38.442 1.00 0.00 H ATOM 1046 HG LEU A 66 25.367 44.397 38.937 1.00 0.00 H ATOM 1047 HD21 LEU A 66 26.982 41.871 39.420 1.00 0.00 H ATOM 1048 HD22 LEU A 66 26.377 42.987 40.669 1.00 0.00 H ATOM 1049 HD23 LEU A 66 25.229 42.047 39.685 1.00 0.00 H ATOM 1050 HD11 LEU A 66 25.790 43.842 36.539 1.00 0.00 H ATOM 1051 HD12 LEU A 66 26.650 42.361 37.029 1.00 0.00 H ATOM 1052 HD13 LEU A 66 24.902 42.517 37.331 1.00 0.00 H ATOM 1053 H LEU A 66 26.234 46.538 39.402 1.00 0.00 H ATOM 1054 N GLY A 67 30.210 45.111 40.509 1.00 0.39 N ATOM 1055 CA GLY A 67 31.610 45.429 40.358 1.00 0.40 C ATOM 1056 C GLY A 67 32.112 46.553 41.208 1.00 0.40 C ATOM 1057 O GLY A 67 33.303 46.941 41.063 1.00 0.46 O ATOM 1058 HA3 GLY A 67 31.784 45.693 39.315 1.00 0.00 H ATOM 1059 HA2 GLY A 67 32.186 44.537 40.606 1.00 0.00 H ATOM 1060 H GLY A 67 29.913 44.380 41.187 1.00 0.00 H ATOM 1061 N VAL A 68 31.279 47.151 42.020 1.00 0.39 N ATOM 1062 CA VAL A 68 31.595 48.281 42.850 1.00 0.38 C ATOM 1063 C VAL A 68 31.375 47.903 44.343 1.00 0.38 C ATOM 1064 O VAL A 68 30.267 47.544 44.709 1.00 0.38 O ATOM 1065 CB VAL A 68 30.691 49.501 42.556 1.00 0.42 C ATOM 1066 CG1 VAL A 68 31.117 50.651 43.460 1.00 0.45 C ATOM 1067 CG2 VAL A 68 30.876 49.902 41.066 1.00 0.45 C ATOM 1068 HA VAL A 68 32.632 48.544 42.639 1.00 0.00 H ATOM 1069 HB VAL A 68 29.644 49.262 42.743 1.00 0.00 H ATOM 1070 HG11 VAL A 68 31.009 50.351 44.502 1.00 0.00 H ATOM 1071 HG12 VAL A 68 32.158 50.903 43.259 1.00 0.00 H ATOM 1072 HG13 VAL A 68 30.487 51.519 43.263 1.00 0.00 H ATOM 1073 HG21 VAL A 68 31.920 50.159 40.887 1.00 0.00 H ATOM 1074 HG22 VAL A 68 30.592 49.065 40.428 1.00 0.00 H ATOM 1075 HG23 VAL A 68 30.245 50.762 40.841 1.00 0.00 H ATOM 1076 H VAL A 68 30.309 46.779 42.069 1.00 0.00 H ATOM 1077 N GLU A 69 32.441 48.028 45.108 1.00 0.40 N ATOM 1078 CA GLU A 69 32.421 47.683 46.552 1.00 0.40 C ATOM 1079 C GLU A 69 31.423 48.553 47.306 1.00 0.39 C ATOM 1080 O GLU A 69 31.284 49.764 47.014 1.00 0.42 O ATOM 1081 CB GLU A 69 33.826 47.749 47.111 1.00 0.43 C ATOM 1082 CG GLU A 69 33.969 47.224 48.534 1.00 0.49 C ATOM 1083 CD GLU A 69 35.431 47.281 48.981 1.00 0.49 C ATOM 1084 OE1 GLU A 69 35.950 48.406 49.123 1.00 0.56 O ATOM 1085 OE2 GLU A 69 36.018 46.228 49.065 1.00 0.56 O ATOM 1086 HA GLU A 69 32.074 46.658 46.683 1.00 0.00 H ATOM 1087 HB2 GLU A 69 34.477 47.161 46.464 1.00 0.00 H ATOM 1088 HB3 GLU A 69 34.148 48.790 47.099 1.00 0.00 H ATOM 1089 HG2 GLU A 69 33.364 47.835 49.205 1.00 0.00 H ATOM 1090 HG3 GLU A 69 33.622 46.192 48.572 1.00 0.00 H ATOM 1091 H GLU A 69 33.324 48.380 44.687 1.00 0.00 H ATOM 1092 N PHE A 70 30.710 47.988 48.276 1.00 0.37 N ATOM 1093 CA PHE A 70 29.785 48.667 49.143 1.00 0.38 C ATOM 1094 C PHE A 70 29.858 48.131 50.586 1.00 0.42 C ATOM 1095 O PHE A 70 30.166 46.973 50.819 1.00 0.40 O ATOM 1096 CB PHE A 70 28.343 48.639 48.655 1.00 0.37 C ATOM 1097 CG PHE A 70 27.751 47.234 48.498 1.00 0.37 C ATOM 1098 CD1 PHE A 70 28.035 46.449 47.399 1.00 0.36 C ATOM 1099 CD2 PHE A 70 26.920 46.722 49.462 1.00 0.39 C ATOM 1100 CE1 PHE A 70 27.457 45.223 47.210 1.00 0.37 C ATOM 1101 CE2 PHE A 70 26.348 45.456 49.266 1.00 0.41 C ATOM 1102 CZ PHE A 70 26.635 44.703 48.180 1.00 0.38 C ATOM 1103 HA PHE A 70 30.104 49.709 49.127 1.00 0.00 H ATOM 1104 HB2 PHE A 70 27.731 49.189 49.370 1.00 0.00 H ATOM 1105 HB3 PHE A 70 28.302 49.136 47.686 1.00 0.00 H ATOM 1106 HD2 PHE A 70 26.707 47.291 50.367 1.00 0.00 H ATOM 1107 HE2 PHE A 70 25.652 45.068 50.010 1.00 0.00 H ATOM 1108 HZ PHE A 70 26.221 43.700 48.076 1.00 0.00 H ATOM 1109 HE1 PHE A 70 27.648 44.662 46.295 1.00 0.00 H ATOM 1110 HD1 PHE A 70 28.743 46.818 46.657 1.00 0.00 H ATOM 1111 H PHE A 70 30.832 46.965 48.420 1.00 0.00 H ATOM 1112 N ASP A 71 29.519 48.993 51.538 1.00 0.39 N ATOM 1113 CA ASP A 71 29.320 48.582 52.909 1.00 0.41 C ATOM 1114 C ASP A 71 27.977 47.916 53.122 1.00 0.42 C ATOM 1115 O ASP A 71 26.941 48.361 52.648 1.00 0.42 O ATOM 1116 CB ASP A 71 29.395 49.849 53.798 1.00 0.46 C ATOM 1117 CG ASP A 71 30.803 50.363 53.961 1.00 0.50 C ATOM 1118 OD1 ASP A 71 31.791 49.617 54.030 1.00 0.57 O ATOM 1119 OD2 ASP A 71 30.932 51.626 54.029 1.00 0.57 O ATOM 1120 HA ASP A 71 30.090 47.855 53.166 1.00 0.00 H ATOM 1121 HB2 ASP A 71 28.788 50.632 53.342 1.00 0.00 H ATOM 1122 HB3 ASP A 71 28.995 49.608 54.783 1.00 0.00 H ATOM 1123 H ASP A 71 29.393 49.995 51.289 1.00 0.00 H ATOM 1124 N GLU A 72 27.986 46.795 53.872 1.00 0.39 N ATOM 1125 CA GLU A 72 26.771 46.047 54.147 1.00 0.39 C ATOM 1126 C GLU A 72 26.793 45.630 55.635 1.00 0.40 C ATOM 1127 O GLU A 72 27.836 45.300 56.182 1.00 0.42 O ATOM 1128 CB GLU A 72 26.784 44.763 53.282 1.00 0.37 C ATOM 1129 CG GLU A 72 25.583 43.871 53.435 1.00 0.39 C ATOM 1130 CD GLU A 72 25.615 42.598 52.633 1.00 0.38 C ATOM 1131 OE1 GLU A 72 26.613 42.363 51.912 1.00 0.39 O ATOM 1132 OE2 GLU A 72 24.663 41.796 52.702 1.00 0.43 O ATOM 1133 HA GLU A 72 25.889 46.647 53.926 1.00 0.00 H ATOM 1134 HB2 GLU A 72 26.850 45.062 52.236 1.00 0.00 H ATOM 1135 HB3 GLU A 72 27.669 44.185 53.550 1.00 0.00 H ATOM 1136 HG2 GLU A 72 25.495 43.603 54.488 1.00 0.00 H ATOM 1137 HG3 GLU A 72 24.703 44.438 53.131 1.00 0.00 H ATOM 1138 H GLU A 72 28.888 46.457 54.264 1.00 0.00 H ATOM 1139 N THR A 73 25.574 45.710 56.194 1.00 0.39 N ATOM 1140 CA THR A 73 25.355 45.136 57.522 1.00 0.40 C ATOM 1141 C THR A 73 24.447 43.924 57.378 1.00 0.38 C ATOM 1142 O THR A 73 23.329 44.021 56.926 1.00 0.43 O ATOM 1143 CB THR A 73 24.711 46.112 58.503 1.00 0.40 C ATOM 1144 OG1 THR A 73 23.405 46.422 58.010 1.00 0.61 O ATOM 1145 CG2 THR A 73 25.505 47.369 58.654 1.00 0.41 C ATOM 1146 HA THR A 73 26.332 44.872 57.926 1.00 0.00 H ATOM 1147 HB THR A 73 24.667 45.647 59.488 1.00 0.00 H ATOM 1148 HG1 THR A 73 22.871 45.591 57.949 1.00 0.00 H ATOM 1149 HG23 THR A 73 26.499 47.126 59.030 1.00 0.00 H ATOM 1150 HG21 THR A 73 25.592 47.861 57.685 1.00 0.00 H ATOM 1151 HG22 THR A 73 25.002 48.033 59.357 1.00 0.00 H ATOM 1152 H THR A 73 24.794 46.175 55.688 1.00 0.00 H ATOM 1153 N THR A 74 24.994 42.757 57.737 1.00 0.40 N ATOM 1154 CA THR A 74 24.268 41.514 57.441 1.00 0.40 C ATOM 1155 C THR A 74 23.216 41.199 58.490 1.00 0.39 C ATOM 1156 O THR A 74 23.064 41.856 59.510 1.00 0.45 O ATOM 1157 CB THR A 74 25.303 40.360 57.420 1.00 0.40 C ATOM 1158 OG1 THR A 74 25.821 40.180 58.721 1.00 0.41 O ATOM 1159 CG2 THR A 74 26.439 40.655 56.479 1.00 0.40 C ATOM 1160 HA THR A 74 23.758 41.629 56.485 1.00 0.00 H ATOM 1161 HB THR A 74 24.798 39.457 57.076 1.00 0.00 H ATOM 1162 HG1 THR A 74 25.083 39.955 59.341 1.00 0.00 H ATOM 1163 HG23 THR A 74 26.047 40.795 55.472 1.00 0.00 H ATOM 1164 HG21 THR A 74 26.950 41.562 56.801 1.00 0.00 H ATOM 1165 HG22 THR A 74 27.140 39.820 56.485 1.00 0.00 H ATOM 1166 H THR A 74 25.916 42.730 58.217 1.00 0.00 H ATOM 1167 N ALA A 75 22.410 40.175 58.206 1.00 0.39 N ATOM 1168 CA ALA A 75 21.329 39.789 59.092 1.00 0.41 C ATOM 1169 C ALA A 75 21.792 39.440 60.495 1.00 0.45 C ATOM 1170 O ALA A 75 21.000 39.586 61.434 1.00 0.48 O ATOM 1171 CB ALA A 75 20.488 38.678 58.519 1.00 0.46 C ATOM 1172 HA ALA A 75 20.705 40.678 59.177 1.00 0.00 H ATOM 1173 HB1 ALA A 75 20.051 39.004 57.575 1.00 0.00 H ATOM 1174 HB2 ALA A 75 21.113 37.802 58.348 1.00 0.00 H ATOM 1175 HB3 ALA A 75 19.693 38.427 59.221 1.00 0.00 H ATOM 1176 H ALA A 75 22.561 39.640 57.327 1.00 0.00 H ATOM 1177 N ASP A 76 23.014 38.937 60.609 1.00 0.43 N ATOM 1178 CA ASP A 76 23.605 38.524 61.858 1.00 0.44 C ATOM 1179 C ASP A 76 24.504 39.626 62.455 1.00 0.45 C ATOM 1180 O ASP A 76 25.335 39.381 63.334 1.00 0.47 O ATOM 1181 CB ASP A 76 24.384 37.222 61.745 1.00 0.45 C ATOM 1182 CG ASP A 76 25.484 37.224 60.725 1.00 0.45 C ATOM 1183 OD1 ASP A 76 25.275 37.731 59.569 1.00 0.44 O ATOM 1184 OD2 ASP A 76 26.577 36.690 61.031 1.00 0.45 O ATOM 1185 HA ASP A 76 22.768 38.347 62.534 1.00 0.00 H ATOM 1186 HB2 ASP A 76 24.826 37.007 62.718 1.00 0.00 H ATOM 1187 HB3 ASP A 76 23.682 36.430 61.483 1.00 0.00 H ATOM 1188 H ASP A 76 23.581 38.834 59.744 1.00 0.00 H ATOM 1189 N ASP A 77 24.366 40.843 61.901 1.00 0.45 N ATOM 1190 CA ASP A 77 25.004 42.004 62.450 1.00 0.47 C ATOM 1191 C ASP A 77 26.504 42.036 62.252 1.00 0.50 C ATOM 1192 O ASP A 77 27.246 42.615 63.050 1.00 0.53 O ATOM 1193 CB ASP A 77 24.588 42.254 63.913 1.00 0.54 C ATOM 1194 CG ASP A 77 23.095 42.563 64.005 1.00 0.62 C ATOM 1195 OD1 ASP A 77 22.624 43.493 63.267 1.00 0.68 O ATOM 1196 OD2 ASP A 77 22.332 41.893 64.681 1.00 0.66 O ATOM 1197 HA ASP A 77 24.633 42.845 61.865 1.00 0.00 H ATOM 1198 HB2 ASP A 77 24.807 41.365 64.504 1.00 0.00 H ATOM 1199 HB3 ASP A 77 25.153 43.099 64.307 1.00 0.00 H ATOM 1200 H ASP A 77 23.779 40.946 61.049 1.00 0.00 H ATOM 1201 N ARG A 78 27.005 41.474 61.122 1.00 0.46 N ATOM 1202 CA ARG A 78 28.393 41.711 60.739 1.00 0.45 C ATOM 1203 C ARG A 78 28.445 42.982 59.880 1.00 0.46 C ATOM 1204 O ARG A 78 27.529 43.183 59.083 1.00 0.48 O ATOM 1205 CB ARG A 78 28.966 40.559 59.934 1.00 0.44 C ATOM 1206 CG ARG A 78 29.339 39.311 60.786 1.00 0.44 C ATOM 1207 CD ARG A 78 29.760 38.186 59.801 1.00 0.42 C ATOM 1208 NE ARG A 78 28.589 37.607 59.190 1.00 0.41 N ATOM 1209 CZ ARG A 78 28.372 37.480 57.889 1.00 0.42 C ATOM 1210 NH1 ARG A 78 29.353 37.636 56.996 1.00 0.43 N ATOM 1211 NH2 ARG A 78 27.173 37.166 57.446 1.00 0.42 N ATOM 1212 HA ARG A 78 28.986 41.814 61.648 1.00 0.00 H ATOM 1213 HB2 ARG A 78 28.226 40.258 59.192 1.00 0.00 H ATOM 1214 HB3 ARG A 78 29.865 40.909 59.427 1.00 0.00 H ATOM 1215 HG2 ARG A 78 30.166 39.550 61.455 1.00 0.00 H ATOM 1216 HG3 ARG A 78 28.479 38.990 61.374 1.00 0.00 H ATOM 1217 HD2 ARG A 78 30.304 37.414 60.345 1.00 0.00 H ATOM 1218 HD3 ARG A 78 30.403 38.605 59.027 1.00 0.00 H ATOM 1219 HE ARG A 78 27.847 37.257 59.829 1.00 0.00 H ATOM 1220 HH12 ARG A 78 29.154 37.530 55.981 1.00 0.00 H ATOM 1221 HH11 ARG A 78 30.316 37.863 57.316 1.00 0.00 H ATOM 1222 HH22 ARG A 78 27.006 37.067 56.424 1.00 0.00 H ATOM 1223 HH21 ARG A 78 26.393 37.017 58.118 1.00 0.00 H ATOM 1224 H ARG A 78 26.398 40.873 60.528 1.00 0.00 H ATOM 1225 N LYS A 79 29.479 43.765 60.008 1.00 0.46 N ATOM 1226 CA LYS A 79 29.683 44.927 59.106 1.00 0.47 C ATOM 1227 C LYS A 79 30.830 44.521 58.152 1.00 0.48 C ATOM 1228 O LYS A 79 31.956 44.258 58.555 1.00 0.48 O ATOM 1229 CB LYS A 79 30.309 46.044 60.026 1.00 0.55 C ATOM 1230 CG LYS A 79 31.643 45.382 60.559 1.00 0.63 C ATOM 1231 CD LYS A 79 31.310 44.426 61.724 1.00 0.66 C ATOM 1232 CE LYS A 79 32.060 43.111 61.635 1.00 0.66 C ATOM 1233 NZ LYS A 79 33.509 43.339 61.213 1.00 0.79 N ATOM 1234 HA LYS A 79 28.775 45.232 58.586 1.00 0.00 H ATOM 1235 HB2 LYS A 79 30.524 46.946 59.453 1.00 0.00 H ATOM 1236 HB3 LYS A 79 29.640 46.290 60.850 1.00 0.00 H ATOM 1237 HG2 LYS A 79 32.119 44.823 59.754 1.00 0.00 H ATOM 1238 HG3 LYS A 79 32.321 46.160 60.909 1.00 0.00 H ATOM 1239 HD2 LYS A 79 31.573 44.915 62.662 1.00 0.00 H ATOM 1240 HD3 LYS A 79 30.240 44.219 61.711 1.00 0.00 H ATOM 1241 HE2 LYS A 79 31.571 42.470 60.902 1.00 0.00 H ATOM 1242 HE3 LYS A 79 32.044 42.624 62.610 1.00 0.00 H ATOM 1243 HZ1 LYS A 79 33.529 43.800 60.281 1.00 0.00 H ATOM 1244 HZ2 LYS A 79 33.981 43.947 61.912 1.00 0.00 H ATOM 1245 HZ3 LYS A 79 34.001 42.424 61.159 1.00 0.00 H ATOM 1246 H LYS A 79 30.175 43.572 60.756 1.00 0.00 H ATOM 1247 N VAL A 80 30.465 44.375 56.905 1.00 0.42 N ATOM 1248 CA VAL A 80 31.390 43.806 55.945 1.00 0.43 C ATOM 1249 C VAL A 80 31.543 44.719 54.715 1.00 0.41 C ATOM 1250 O VAL A 80 30.737 45.616 54.520 1.00 0.43 O ATOM 1251 CB VAL A 80 30.889 42.415 55.482 1.00 0.40 C ATOM 1252 CG1 VAL A 80 30.600 41.567 56.712 1.00 0.45 C ATOM 1253 CG2 VAL A 80 29.585 42.588 54.695 1.00 0.43 C ATOM 1254 HA VAL A 80 32.359 43.707 56.434 1.00 0.00 H ATOM 1255 HB VAL A 80 31.644 41.938 54.857 1.00 0.00 H ATOM 1256 HG11 VAL A 80 31.512 41.457 57.298 1.00 0.00 H ATOM 1257 HG12 VAL A 80 29.835 42.055 57.316 1.00 0.00 H ATOM 1258 HG13 VAL A 80 30.246 40.585 56.399 1.00 0.00 H ATOM 1259 HG21 VAL A 80 28.835 43.054 55.334 1.00 0.00 H ATOM 1260 HG22 VAL A 80 29.768 43.220 53.826 1.00 0.00 H ATOM 1261 HG23 VAL A 80 29.228 41.612 54.367 1.00 0.00 H ATOM 1262 H VAL A 80 29.514 44.666 56.603 1.00 0.00 H ATOM 1263 N LYS A 81 32.577 44.474 53.949 1.00 0.41 N ATOM 1264 CA LYS A 81 32.823 45.039 52.643 1.00 0.39 C ATOM 1265 C LYS A 81 32.432 44.007 51.564 1.00 0.38 C ATOM 1266 O LYS A 81 32.951 42.910 51.559 1.00 0.40 O ATOM 1267 CB LYS A 81 34.259 45.425 52.401 1.00 0.48 C ATOM 1268 CG LYS A 81 34.872 46.245 53.579 1.00 0.53 C ATOM 1269 CD LYS A 81 34.457 47.707 53.433 1.00 0.60 C ATOM 1270 CE LYS A 81 35.175 48.587 54.475 1.00 0.60 C ATOM 1271 NZ LYS A 81 34.616 49.973 54.427 1.00 0.65 N ATOM 1272 HA LYS A 81 32.224 45.948 52.592 1.00 0.00 H ATOM 1273 HB2 LYS A 81 34.846 44.517 52.266 1.00 0.00 H ATOM 1274 HB3 LYS A 81 34.310 46.027 51.494 1.00 0.00 H ATOM 1275 HG2 LYS A 81 34.505 45.853 54.528 1.00 0.00 H ATOM 1276 HG3 LYS A 81 35.959 46.168 53.552 1.00 0.00 H ATOM 1277 HD2 LYS A 81 34.716 48.054 52.433 1.00 0.00 H ATOM 1278 HD3 LYS A 81 33.380 47.789 53.577 1.00 0.00 H ATOM 1279 HE2 LYS A 81 36.242 48.617 54.252 1.00 0.00 H ATOM 1280 HE3 LYS A 81 35.024 48.168 55.470 1.00 0.00 H ATOM 1281 HZ1 LYS A 81 34.761 50.371 53.477 1.00 0.00 H ATOM 1282 HZ2 LYS A 81 33.599 49.943 54.640 1.00 0.00 H ATOM 1283 HZ3 LYS A 81 35.101 50.566 55.130 1.00 0.00 H ATOM 1284 H LYS A 81 33.288 43.810 54.316 1.00 0.00 H ATOM 1285 N SER A 82 31.514 44.453 50.727 1.00 0.36 N ATOM 1286 CA SER A 82 30.904 43.545 49.767 1.00 0.37 C ATOM 1287 C SER A 82 31.137 43.979 48.310 1.00 0.34 C ATOM 1288 O SER A 82 31.208 45.155 47.996 1.00 0.40 O ATOM 1289 CB SER A 82 29.404 43.444 50.000 1.00 0.38 C ATOM 1290 OG SER A 82 29.168 42.813 51.259 1.00 0.43 O ATOM 1291 HA SER A 82 31.382 42.578 49.922 1.00 0.00 H ATOM 1292 HB2 SER A 82 28.950 42.853 49.205 1.00 0.00 H ATOM 1293 HB3 SER A 82 28.967 44.443 50.004 1.00 0.00 H ATOM 1294 HG SER A 82 28.193 42.745 51.415 1.00 0.00 H ATOM 1295 H SER A 82 31.227 45.452 50.753 1.00 0.00 H ATOM 1296 N ILE A 83 31.138 42.955 47.458 1.00 0.36 N ATOM 1297 CA ILE A 83 31.150 43.212 46.021 1.00 0.38 C ATOM 1298 C ILE A 83 30.346 42.098 45.350 1.00 0.38 C ATOM 1299 O ILE A 83 30.437 40.946 45.775 1.00 0.38 O ATOM 1300 CB ILE A 83 32.513 43.358 45.447 1.00 0.43 C ATOM 1301 CG1 ILE A 83 32.534 43.882 43.983 1.00 0.45 C ATOM 1302 CG2 ILE A 83 33.404 42.173 45.596 1.00 0.49 C ATOM 1303 CD1 ILE A 83 33.888 44.352 43.556 1.00 0.49 C ATOM 1304 HA ILE A 83 30.690 44.181 45.830 1.00 0.00 H ATOM 1305 HB ILE A 83 32.939 44.134 46.082 1.00 0.00 H ATOM 1306 HG12 ILE A 83 32.219 43.076 43.320 1.00 0.00 H ATOM 1307 HG13 ILE A 83 31.834 44.713 43.900 1.00 0.00 H ATOM 1308 HD11 ILE A 83 34.211 45.165 44.206 1.00 0.00 H ATOM 1309 HD12 ILE A 83 34.596 43.526 43.625 1.00 0.00 H ATOM 1310 HD13 ILE A 83 33.840 44.706 42.526 1.00 0.00 H ATOM 1311 HG21 ILE A 83 33.538 41.952 46.655 1.00 0.00 H ATOM 1312 HG22 ILE A 83 32.951 41.315 45.099 1.00 0.00 H ATOM 1313 HG23 ILE A 83 34.372 42.388 45.143 1.00 0.00 H ATOM 1314 H ILE A 83 31.130 41.978 47.815 1.00 0.00 H ATOM 1315 N VAL A 84 29.522 42.478 44.386 1.00 0.36 N ATOM 1316 CA VAL A 84 28.741 41.507 43.607 1.00 0.35 C ATOM 1317 C VAL A 84 29.120 41.597 42.155 1.00 0.38 C ATOM 1318 O VAL A 84 29.341 42.669 41.619 1.00 0.41 O ATOM 1319 CB VAL A 84 27.237 41.749 43.793 1.00 0.36 C ATOM 1320 CG1 VAL A 84 26.426 40.702 43.005 1.00 0.40 C ATOM 1321 CG2 VAL A 84 26.863 41.714 45.265 1.00 0.40 C ATOM 1322 HA VAL A 84 28.966 40.503 43.967 1.00 0.00 H ATOM 1323 HB VAL A 84 26.998 42.739 43.406 1.00 0.00 H ATOM 1324 HG11 VAL A 84 26.671 40.777 41.946 1.00 0.00 H ATOM 1325 HG12 VAL A 84 26.674 39.704 43.367 1.00 0.00 H ATOM 1326 HG13 VAL A 84 25.361 40.887 43.147 1.00 0.00 H ATOM 1327 HG21 VAL A 84 27.117 40.738 45.680 1.00 0.00 H ATOM 1328 HG22 VAL A 84 27.413 42.490 45.797 1.00 0.00 H ATOM 1329 HG23 VAL A 84 25.792 41.888 45.371 1.00 0.00 H ATOM 1330 H VAL A 84 29.425 43.492 44.174 1.00 0.00 H ATOM 1331 N THR A 85 29.332 40.413 41.549 1.00 0.38 N ATOM 1332 CA THR A 85 29.724 40.388 40.133 1.00 0.38 C ATOM 1333 C THR A 85 29.019 39.249 39.418 1.00 0.37 C ATOM 1334 O THR A 85 28.495 38.310 40.068 1.00 0.42 O ATOM 1335 CB THR A 85 31.242 40.190 40.007 1.00 0.43 C ATOM 1336 OG1 THR A 85 31.675 40.419 38.690 1.00 0.50 O ATOM 1337 CG2 THR A 85 31.720 38.869 40.522 1.00 0.39 C ATOM 1338 HA THR A 85 29.441 41.338 39.680 1.00 0.00 H ATOM 1339 HB THR A 85 31.699 40.939 40.654 1.00 0.00 H ATOM 1340 HG1 THR A 85 32.654 40.285 38.638 1.00 0.00 H ATOM 1341 HG23 THR A 85 31.365 38.728 41.543 1.00 0.00 H ATOM 1342 HG21 THR A 85 31.332 38.072 39.888 1.00 0.00 H ATOM 1343 HG22 THR A 85 32.810 38.848 40.509 1.00 0.00 H ATOM 1344 H THR A 85 29.219 39.525 42.078 1.00 0.00 H ATOM 1345 N LEU A 86 29.071 39.270 38.106 1.00 0.40 N ATOM 1346 CA LEU A 86 28.515 38.143 37.290 1.00 0.38 C ATOM 1347 C LEU A 86 29.718 37.371 36.752 1.00 0.39 C ATOM 1348 O LEU A 86 30.644 37.940 36.175 1.00 0.40 O ATOM 1349 CB LEU A 86 27.780 38.843 36.119 1.00 0.44 C ATOM 1350 CG LEU A 86 26.719 38.083 35.393 1.00 0.54 C ATOM 1351 CD1 LEU A 86 25.599 37.634 36.367 1.00 0.55 C ATOM 1352 CD2 LEU A 86 26.057 39.021 34.330 1.00 0.57 C ATOM 1353 HA LEU A 86 27.854 37.468 37.834 1.00 0.00 H ATOM 1354 HB2 LEU A 86 27.315 39.743 36.522 1.00 0.00 H ATOM 1355 HB3 LEU A 86 28.536 39.124 35.385 1.00 0.00 H ATOM 1356 HG LEU A 86 27.182 37.211 34.930 1.00 0.00 H ATOM 1357 HD21 LEU A 86 25.615 39.882 34.832 1.00 0.00 H ATOM 1358 HD22 LEU A 86 26.815 39.360 33.624 1.00 0.00 H ATOM 1359 HD23 LEU A 86 25.281 38.472 33.796 1.00 0.00 H ATOM 1360 HD11 LEU A 86 26.026 36.993 37.139 1.00 0.00 H ATOM 1361 HD12 LEU A 86 25.149 38.512 36.830 1.00 0.00 H ATOM 1362 HD13 LEU A 86 24.838 37.083 35.814 1.00 0.00 H ATOM 1363 H LEU A 86 29.506 40.083 37.625 1.00 0.00 H ATOM 1364 N ASP A 87 29.725 36.068 36.976 1.00 0.40 N ATOM 1365 CA ASP A 87 30.830 35.190 36.720 1.00 0.39 C ATOM 1366 C ASP A 87 30.268 33.880 36.163 1.00 0.38 C ATOM 1367 O ASP A 87 29.660 33.139 36.901 1.00 0.40 O ATOM 1368 CB ASP A 87 31.646 34.887 37.951 1.00 0.43 C ATOM 1369 CG ASP A 87 32.884 34.084 37.773 1.00 0.48 C ATOM 1370 OD1 ASP A 87 33.193 33.546 36.725 1.00 0.47 O ATOM 1371 OD2 ASP A 87 33.646 33.973 38.792 1.00 0.53 O ATOM 1372 HA ASP A 87 31.496 35.687 36.015 1.00 0.00 H ATOM 1373 HB2 ASP A 87 31.935 35.840 38.394 1.00 0.00 H ATOM 1374 HB3 ASP A 87 31.002 34.346 38.645 1.00 0.00 H ATOM 1375 H ASP A 87 28.860 35.646 37.369 1.00 0.00 H ATOM 1376 N GLY A 88 30.525 33.670 34.866 1.00 0.37 N ATOM 1377 CA GLY A 88 30.031 32.442 34.260 1.00 0.39 C ATOM 1378 C GLY A 88 28.544 32.308 34.358 1.00 0.41 C ATOM 1379 O GLY A 88 28.033 31.186 34.393 1.00 0.48 O ATOM 1380 HA3 GLY A 88 30.492 31.593 34.765 1.00 0.00 H ATOM 1381 HA2 GLY A 88 30.314 32.434 33.207 1.00 0.00 H ATOM 1382 H GLY A 88 31.062 34.364 34.308 1.00 0.00 H ATOM 1383 N GLY A 89 27.832 33.447 34.359 1.00 0.37 N ATOM 1384 CA GLY A 89 26.422 33.453 34.432 1.00 0.41 C ATOM 1385 C GLY A 89 25.851 33.334 35.844 1.00 0.40 C ATOM 1386 O GLY A 89 24.612 33.336 35.995 1.00 0.48 O ATOM 1387 HA3 GLY A 89 26.049 32.615 33.844 1.00 0.00 H ATOM 1388 HA2 GLY A 89 26.064 34.387 33.999 1.00 0.00 H ATOM 1389 H GLY A 89 28.336 34.355 34.304 1.00 0.00 H ATOM 1390 N LYS A 90 26.677 33.284 36.825 1.00 0.42 N ATOM 1391 CA LYS A 90 26.296 33.204 38.242 1.00 0.41 C ATOM 1392 C LYS A 90 26.414 34.606 38.863 1.00 0.40 C ATOM 1393 O LYS A 90 27.325 35.361 38.526 1.00 0.43 O ATOM 1394 CB LYS A 90 27.299 32.294 38.999 1.00 0.43 C ATOM 1395 CG LYS A 90 27.391 30.898 38.490 1.00 0.49 C ATOM 1396 CD LYS A 90 28.460 30.062 39.154 1.00 0.49 C ATOM 1397 CE LYS A 90 29.846 30.571 38.751 1.00 0.59 C ATOM 1398 NZ LYS A 90 30.856 29.486 38.770 1.00 0.69 N ATOM 1399 HA LYS A 90 25.282 32.812 38.317 1.00 0.00 H ATOM 1400 HB2 LYS A 90 28.288 32.747 38.926 1.00 0.00 H ATOM 1401 HB3 LYS A 90 26.996 32.253 40.045 1.00 0.00 H ATOM 1402 HG2 LYS A 90 26.429 30.412 38.651 1.00 0.00 H ATOM 1403 HG3 LYS A 90 27.603 30.937 37.422 1.00 0.00 H ATOM 1404 HD2 LYS A 90 28.351 30.129 40.236 1.00 0.00 H ATOM 1405 HD3 LYS A 90 28.352 29.023 38.843 1.00 0.00 H ATOM 1406 HE2 LYS A 90 30.152 31.351 39.448 1.00 0.00 H ATOM 1407 HE3 LYS A 90 29.791 30.985 37.744 1.00 0.00 H ATOM 1408 HZ1 LYS A 90 30.919 29.089 39.729 1.00 0.00 H ATOM 1409 HZ2 LYS A 90 30.574 28.740 38.103 1.00 0.00 H ATOM 1410 HZ3 LYS A 90 31.781 29.870 38.491 1.00 0.00 H ATOM 1411 H LYS A 90 27.692 33.301 36.600 1.00 0.00 H ATOM 1412 N LEU A 91 25.549 34.871 39.814 1.00 0.39 N ATOM 1413 CA LEU A 91 25.706 36.134 40.581 1.00 0.41 C ATOM 1414 C LEU A 91 26.526 35.811 41.863 1.00 0.39 C ATOM 1415 O LEU A 91 26.082 35.012 42.685 1.00 0.41 O ATOM 1416 CB LEU A 91 24.335 36.626 40.957 1.00 0.45 C ATOM 1417 CG LEU A 91 24.029 37.981 41.344 1.00 0.50 C ATOM 1418 CD1 LEU A 91 24.471 39.001 40.288 1.00 0.49 C ATOM 1419 CD2 LEU A 91 22.521 38.171 41.650 1.00 0.53 C ATOM 1420 HA LEU A 91 26.219 36.898 39.997 1.00 0.00 H ATOM 1421 HB2 LEU A 91 23.702 36.418 40.094 1.00 0.00 H ATOM 1422 HB3 LEU A 91 24.020 36.004 41.795 1.00 0.00 H ATOM 1423 HG LEU A 91 24.596 38.163 42.257 1.00 0.00 H ATOM 1424 HD21 LEU A 91 21.938 37.930 40.761 1.00 0.00 H ATOM 1425 HD22 LEU A 91 22.231 37.509 42.466 1.00 0.00 H ATOM 1426 HD23 LEU A 91 22.337 39.206 41.937 1.00 0.00 H ATOM 1427 HD11 LEU A 91 25.548 38.926 40.141 1.00 0.00 H ATOM 1428 HD12 LEU A 91 23.959 38.794 39.348 1.00 0.00 H ATOM 1429 HD13 LEU A 91 24.218 40.006 40.627 1.00 0.00 H ATOM 1430 H LEU A 91 24.772 34.213 40.026 1.00 0.00 H ATOM 1431 N VAL A 92 27.703 36.384 41.941 1.00 0.36 N ATOM 1432 CA VAL A 92 28.636 36.087 42.987 1.00 0.38 C ATOM 1433 C VAL A 92 28.770 37.276 43.957 1.00 0.39 C ATOM 1434 O VAL A 92 29.232 38.314 43.542 1.00 0.41 O ATOM 1435 CB VAL A 92 30.025 35.696 42.458 1.00 0.38 C ATOM 1436 CG1 VAL A 92 30.996 35.455 43.548 1.00 0.42 C ATOM 1437 CG2 VAL A 92 29.915 34.497 41.491 1.00 0.42 C ATOM 1438 HA VAL A 92 28.232 35.224 43.516 1.00 0.00 H ATOM 1439 HB VAL A 92 30.419 36.543 41.896 1.00 0.00 H ATOM 1440 HG11 VAL A 92 31.105 36.362 44.143 1.00 0.00 H ATOM 1441 HG12 VAL A 92 30.636 34.644 44.181 1.00 0.00 H ATOM 1442 HG13 VAL A 92 31.961 35.182 43.120 1.00 0.00 H ATOM 1443 HG21 VAL A 92 29.482 33.646 42.017 1.00 0.00 H ATOM 1444 HG22 VAL A 92 29.277 34.768 40.649 1.00 0.00 H ATOM 1445 HG23 VAL A 92 30.908 34.234 41.126 1.00 0.00 H ATOM 1446 H VAL A 92 27.969 37.080 41.216 1.00 0.00 H ATOM 1447 N HIS A 93 28.446 37.047 45.186 1.00 0.38 N ATOM 1448 CA HIS A 93 28.506 38.085 46.238 1.00 0.39 C ATOM 1449 C HIS A 93 29.613 37.650 47.215 1.00 0.40 C ATOM 1450 O HIS A 93 29.489 36.597 47.860 1.00 0.38 O ATOM 1451 CB HIS A 93 27.159 38.115 46.924 1.00 0.38 C ATOM 1452 CG HIS A 93 26.907 39.102 47.992 1.00 0.40 C ATOM 1453 ND1 HIS A 93 27.860 39.963 48.536 1.00 0.43 N ATOM 1454 CD2 HIS A 93 25.737 39.452 48.578 1.00 0.41 C ATOM 1455 CE1 HIS A 93 27.298 40.718 49.460 1.00 0.40 C ATOM 1456 NE2 HIS A 93 26.040 40.425 49.491 1.00 0.45 N ATOM 1457 HA HIS A 93 28.725 39.079 45.849 1.00 0.00 H ATOM 1458 HB2 HIS A 93 26.413 38.289 46.149 1.00 0.00 H ATOM 1459 HB3 HIS A 93 27.004 37.129 47.361 1.00 0.00 H ATOM 1460 HD2 HIS A 93 24.750 39.040 48.365 1.00 0.00 H ATOM 1461 HE1 HIS A 93 27.803 41.455 50.084 1.00 0.00 H ATOM 1462 H HIS A 93 28.129 36.092 45.447 1.00 0.00 H ATOM 1463 N LEU A 94 30.660 38.498 47.338 1.00 0.41 N ATOM 1464 CA LEU A 94 31.781 38.215 48.243 1.00 0.39 C ATOM 1465 C LEU A 94 31.707 39.212 49.421 1.00 0.38 C ATOM 1466 O LEU A 94 31.609 40.394 49.130 1.00 0.40 O ATOM 1467 CB LEU A 94 33.084 38.437 47.508 1.00 0.43 C ATOM 1468 CG LEU A 94 34.395 38.374 48.307 1.00 0.48 C ATOM 1469 CD1 LEU A 94 34.590 37.035 48.999 1.00 0.52 C ATOM 1470 CD2 LEU A 94 35.570 38.602 47.354 1.00 0.55 C ATOM 1471 HA LEU A 94 31.729 37.186 48.598 1.00 0.00 H ATOM 1472 HB2 LEU A 94 33.146 37.680 46.726 1.00 0.00 H ATOM 1473 HB3 LEU A 94 33.032 39.425 47.051 1.00 0.00 H ATOM 1474 HG LEU A 94 34.347 39.146 49.075 1.00 0.00 H ATOM 1475 HD21 LEU A 94 35.569 37.828 46.586 1.00 0.00 H ATOM 1476 HD22 LEU A 94 35.471 39.581 46.885 1.00 0.00 H ATOM 1477 HD23 LEU A 94 36.504 38.559 47.914 1.00 0.00 H ATOM 1478 HD11 LEU A 94 33.766 36.861 49.691 1.00 0.00 H ATOM 1479 HD12 LEU A 94 34.613 36.241 48.252 1.00 0.00 H ATOM 1480 HD13 LEU A 94 35.531 37.045 49.549 1.00 0.00 H ATOM 1481 H LEU A 94 30.671 39.373 46.777 1.00 0.00 H ATOM 1482 N GLN A 95 31.718 38.753 50.652 1.00 0.38 N ATOM 1483 CA GLN A 95 31.742 39.605 51.825 1.00 0.38 C ATOM 1484 C GLN A 95 33.079 39.447 52.564 1.00 0.41 C ATOM 1485 O GLN A 95 33.506 38.288 52.722 1.00 0.42 O ATOM 1486 CB GLN A 95 30.622 39.249 52.805 1.00 0.36 C ATOM 1487 CG GLN A 95 29.217 39.471 52.300 1.00 0.37 C ATOM 1488 CD GLN A 95 28.138 38.892 53.203 1.00 0.39 C ATOM 1489 OE1 GLN A 95 28.359 38.032 54.050 1.00 0.40 O ATOM 1490 NE2 GLN A 95 26.919 39.439 53.038 1.00 0.39 N ATOM 1491 HA GLN A 95 31.607 40.629 51.478 1.00 0.00 H ATOM 1492 HB2 GLN A 95 30.723 38.195 53.062 1.00 0.00 H ATOM 1493 HB3 GLN A 95 30.756 39.854 53.702 1.00 0.00 H ATOM 1494 HG2 GLN A 95 29.050 40.544 52.210 1.00 0.00 H ATOM 1495 HG3 GLN A 95 29.128 39.007 51.318 1.00 0.00 H ATOM 1496 HE22 GLN A 95 26.769 40.166 52.309 1.00 0.00 H ATOM 1497 HE21 GLN A 95 26.127 39.135 53.639 1.00 0.00 H ATOM 1498 H GLN A 95 31.709 37.723 50.793 1.00 0.00 H ATOM 1499 N LYS A 96 33.686 40.536 52.949 1.00 0.40 N ATOM 1500 CA LYS A 96 34.975 40.462 53.655 1.00 0.43 C ATOM 1501 C LYS A 96 34.889 41.267 54.962 1.00 0.44 C ATOM 1502 O LYS A 96 34.382 42.380 54.985 1.00 0.44 O ATOM 1503 CB LYS A 96 36.072 41.109 52.786 1.00 0.47 C ATOM 1504 CG LYS A 96 36.365 40.450 51.490 1.00 0.55 C ATOM 1505 CD LYS A 96 37.453 41.220 50.693 1.00 0.60 C ATOM 1506 CE LYS A 96 37.655 40.617 49.334 1.00 0.70 C ATOM 1507 NZ LYS A 96 36.452 40.888 48.414 1.00 0.80 N ATOM 1508 HA LYS A 96 35.207 39.417 53.858 1.00 0.00 H ATOM 1509 HB2 LYS A 96 35.766 42.134 52.575 1.00 0.00 H ATOM 1510 HB3 LYS A 96 36.993 41.119 53.368 1.00 0.00 H ATOM 1511 HG2 LYS A 96 36.716 39.436 51.679 1.00 0.00 H ATOM 1512 HG3 LYS A 96 35.451 40.412 50.897 1.00 0.00 H ATOM 1513 HD2 LYS A 96 37.143 42.259 50.579 1.00 0.00 H ATOM 1514 HD3 LYS A 96 38.393 41.181 51.244 1.00 0.00 H ATOM 1515 HE2 LYS A 96 37.785 39.540 49.440 1.00 0.00 H ATOM 1516 HE3 LYS A 96 38.550 41.048 48.884 1.00 0.00 H ATOM 1517 HZ1 LYS A 96 35.595 40.475 48.835 1.00 0.00 H ATOM 1518 HZ2 LYS A 96 36.325 41.914 48.304 1.00 0.00 H ATOM 1519 HZ3 LYS A 96 36.625 40.457 47.483 1.00 0.00 H ATOM 1520 H LYS A 96 33.256 41.463 52.756 1.00 0.00 H ATOM 1521 N TRP A 97 35.459 40.703 56.032 1.00 0.44 N ATOM 1522 CA TRP A 97 35.521 41.433 57.314 1.00 0.50 C ATOM 1523 C TRP A 97 36.566 40.757 58.159 1.00 0.52 C ATOM 1524 O TRP A 97 36.717 39.512 58.136 1.00 0.50 O ATOM 1525 CB TRP A 97 34.143 41.462 57.979 1.00 0.49 C ATOM 1526 CG TRP A 97 33.775 40.169 58.628 1.00 0.47 C ATOM 1527 CD1 TRP A 97 33.751 39.901 59.945 1.00 0.50 C ATOM 1528 CD2 TRP A 97 33.365 38.954 57.974 1.00 0.46 C ATOM 1529 NE1 TRP A 97 33.372 38.591 60.171 1.00 0.50 N ATOM 1530 CE2 TRP A 97 33.128 37.993 58.965 1.00 0.46 C ATOM 1531 CE3 TRP A 97 33.189 38.586 56.649 1.00 0.46 C ATOM 1532 CZ2 TRP A 97 32.730 36.697 58.693 1.00 0.45 C ATOM 1533 CZ3 TRP A 97 32.794 37.310 56.368 1.00 0.45 C ATOM 1534 CH2 TRP A 97 32.566 36.372 57.378 1.00 0.47 C ATOM 1535 HA TRP A 97 35.801 42.477 57.170 1.00 0.00 H ATOM 1536 HB2 TRP A 97 34.141 42.244 58.738 1.00 0.00 H ATOM 1537 HB3 TRP A 97 33.396 41.693 57.219 1.00 0.00 H ATOM 1538 HE1 TRP A 97 33.287 38.136 61.102 1.00 0.00 H ATOM 1539 HD1 TRP A 97 33.997 40.619 60.728 1.00 0.00 H ATOM 1540 HZ2 TRP A 97 32.556 35.972 59.488 1.00 0.00 H ATOM 1541 HH2 TRP A 97 32.252 35.363 57.111 1.00 0.00 H ATOM 1542 HZ3 TRP A 97 32.653 37.015 55.328 1.00 0.00 H ATOM 1543 HE3 TRP A 97 33.363 39.303 55.846 1.00 0.00 H ATOM 1544 H TRP A 97 35.860 39.746 55.961 1.00 0.00 H ATOM 1545 N ASP A 98 37.349 41.552 58.885 1.00 0.56 N ATOM 1546 CA ASP A 98 38.263 40.954 59.859 1.00 0.59 C ATOM 1547 C ASP A 98 39.144 39.921 59.249 1.00 0.59 C ATOM 1548 O ASP A 98 39.558 38.882 59.821 1.00 0.64 O ATOM 1549 CB ASP A 98 37.422 40.431 61.016 1.00 0.65 C ATOM 1550 CG ASP A 98 36.862 41.545 61.890 1.00 0.66 C ATOM 1551 OD1 ASP A 98 37.627 42.513 62.127 1.00 0.79 O ATOM 1552 OD2 ASP A 98 35.725 41.426 62.393 1.00 0.69 O ATOM 1553 HA ASP A 98 38.960 41.703 60.235 1.00 0.00 H ATOM 1554 HB2 ASP A 98 36.590 39.855 60.610 1.00 0.00 H ATOM 1555 HB3 ASP A 98 38.044 39.783 61.634 1.00 0.00 H ATOM 1556 H ASP A 98 37.312 42.584 58.762 1.00 0.00 H ATOM 1557 N GLY A 99 39.511 40.098 57.980 1.00 0.53 N ATOM 1558 CA GLY A 99 40.432 39.114 57.429 1.00 0.53 C ATOM 1559 C GLY A 99 39.752 37.841 57.015 1.00 0.52 C ATOM 1560 O GLY A 99 40.407 36.955 56.433 1.00 0.52 O ATOM 1561 HA3 GLY A 99 41.181 38.878 58.185 1.00 0.00 H ATOM 1562 HA2 GLY A 99 40.921 39.546 56.556 1.00 0.00 H ATOM 1563 H GLY A 99 39.159 40.896 57.414 1.00 0.00 H ATOM 1564 N GLN A 100 38.456 37.750 57.212 1.00 0.49 N ATOM 1565 CA GLN A 100 37.706 36.538 56.805 1.00 0.49 C ATOM 1566 C GLN A 100 36.890 36.847 55.521 1.00 0.45 C ATOM 1567 O GLN A 100 36.673 38.015 55.219 1.00 0.45 O ATOM 1568 CB GLN A 100 36.583 36.325 57.874 1.00 0.50 C ATOM 1569 CG GLN A 100 37.154 36.049 59.229 1.00 0.59 C ATOM 1570 CD GLN A 100 36.176 35.187 60.020 1.00 0.60 C ATOM 1571 OE1 GLN A 100 35.791 35.637 61.116 1.00 0.68 O ATOM 1572 NE2 GLN A 100 35.804 34.069 59.454 1.00 0.65 N ATOM 1573 HA GLN A 100 38.401 35.708 56.682 1.00 0.00 H ATOM 1574 HB2 GLN A 100 35.969 37.224 57.926 1.00 0.00 H ATOM 1575 HB3 GLN A 100 35.964 35.480 57.573 1.00 0.00 H ATOM 1576 HG2 GLN A 100 38.103 35.522 59.125 1.00 0.00 H ATOM 1577 HG3 GLN A 100 37.318 36.990 59.754 1.00 0.00 H ATOM 1578 HE22 GLN A 100 36.198 33.798 58.531 1.00 0.00 H ATOM 1579 HE21 GLN A 100 35.114 33.451 59.927 1.00 0.00 H ATOM 1580 H GLN A 100 37.949 38.540 57.660 1.00 0.00 H ATOM 1581 N GLU A 101 36.329 35.803 54.958 1.00 0.44 N ATOM 1582 CA GLU A 101 35.479 36.036 53.761 1.00 0.45 C ATOM 1583 C GLU A 101 34.425 34.921 53.676 1.00 0.42 C ATOM 1584 O GLU A 101 34.628 33.810 54.166 1.00 0.42 O ATOM 1585 CB GLU A 101 36.317 36.179 52.531 1.00 0.53 C ATOM 1586 CG GLU A 101 36.737 34.994 51.796 1.00 0.59 C ATOM 1587 CD GLU A 101 37.715 35.147 50.638 1.00 0.61 C ATOM 1588 OE1 GLU A 101 38.489 36.109 50.606 1.00 0.65 O ATOM 1589 OE2 GLU A 101 37.702 34.229 49.782 1.00 0.70 O ATOM 1590 HA GLU A 101 34.943 36.981 53.848 1.00 0.00 H ATOM 1591 HB2 GLU A 101 35.752 36.798 51.834 1.00 0.00 H ATOM 1592 HB3 GLU A 101 37.225 36.704 52.827 1.00 0.00 H ATOM 1593 HG2 GLU A 101 37.199 34.319 52.516 1.00 0.00 H ATOM 1594 HG3 GLU A 101 35.835 34.532 51.393 1.00 0.00 H ATOM 1595 H GLU A 101 36.474 34.845 55.336 1.00 0.00 H ATOM 1596 N THR A 102 33.257 35.272 53.156 1.00 0.38 N ATOM 1597 CA THR A 102 32.230 34.312 52.817 1.00 0.38 C ATOM 1598 C THR A 102 31.659 34.602 51.435 1.00 0.36 C ATOM 1599 O THR A 102 31.660 35.784 51.058 1.00 0.39 O ATOM 1600 CB THR A 102 31.146 34.214 53.860 1.00 0.39 C ATOM 1601 OG1 THR A 102 30.265 33.148 53.555 1.00 0.41 O ATOM 1602 CG2 THR A 102 30.277 35.471 53.975 1.00 0.41 C ATOM 1603 HA THR A 102 32.707 33.332 52.793 1.00 0.00 H ATOM 1604 HB THR A 102 31.677 34.064 54.800 1.00 0.00 H ATOM 1605 HG1 THR A 102 30.772 32.298 53.534 1.00 0.00 H ATOM 1606 HG23 THR A 102 30.909 36.328 54.210 1.00 0.00 H ATOM 1607 HG21 THR A 102 29.765 35.645 53.029 1.00 0.00 H ATOM 1608 HG22 THR A 102 29.542 35.332 54.767 1.00 0.00 H ATOM 1609 H THR A 102 33.071 36.281 52.985 1.00 0.00 H ATOM 1610 N THR A 103 31.244 33.612 50.686 1.00 0.38 N ATOM 1611 CA THR A 103 30.661 33.832 49.363 1.00 0.36 C ATOM 1612 C THR A 103 29.197 33.329 49.343 1.00 0.39 C ATOM 1613 O THR A 103 28.883 32.311 49.981 1.00 0.38 O ATOM 1614 CB THR A 103 31.415 33.127 48.209 1.00 0.41 C ATOM 1615 OG1 THR A 103 31.565 31.718 48.523 1.00 0.52 O ATOM 1616 CG2 THR A 103 32.785 33.698 48.024 1.00 0.45 C ATOM 1617 HA THR A 103 30.730 34.907 49.194 1.00 0.00 H ATOM 1618 HB THR A 103 30.836 33.273 47.297 1.00 0.00 H ATOM 1619 HG1 THR A 103 30.670 31.309 48.634 1.00 0.00 H ATOM 1620 HG23 THR A 103 32.706 34.759 47.786 1.00 0.00 H ATOM 1621 HG21 THR A 103 33.357 33.572 48.943 1.00 0.00 H ATOM 1622 HG22 THR A 103 33.287 33.178 47.208 1.00 0.00 H ATOM 1623 H THR A 103 31.332 32.639 51.043 1.00 0.00 H ATOM 1624 N LEU A 104 28.378 34.060 48.660 1.00 0.35 N ATOM 1625 CA LEU A 104 26.962 33.740 48.426 1.00 0.37 C ATOM 1626 C LEU A 104 26.804 33.715 46.895 1.00 0.40 C ATOM 1627 O LEU A 104 26.895 34.765 46.247 1.00 0.41 O ATOM 1628 CB LEU A 104 26.061 34.812 49.024 1.00 0.39 C ATOM 1629 CG LEU A 104 26.217 35.101 50.533 1.00 0.43 C ATOM 1630 CD1 LEU A 104 27.272 36.188 50.773 1.00 0.47 C ATOM 1631 CD2 LEU A 104 24.862 35.665 51.059 1.00 0.49 C ATOM 1632 HA LEU A 104 26.681 32.794 48.889 1.00 0.00 H ATOM 1633 HB2 LEU A 104 26.257 35.742 48.489 1.00 0.00 H ATOM 1634 HB3 LEU A 104 25.029 34.507 48.853 1.00 0.00 H ATOM 1635 HG LEU A 104 26.511 34.180 51.037 1.00 0.00 H ATOM 1636 HD21 LEU A 104 24.619 36.582 50.523 1.00 0.00 H ATOM 1637 HD22 LEU A 104 24.075 34.928 50.896 1.00 0.00 H ATOM 1638 HD23 LEU A 104 24.947 35.877 52.125 1.00 0.00 H ATOM 1639 HD11 LEU A 104 28.231 35.855 50.377 1.00 0.00 H ATOM 1640 HD12 LEU A 104 26.968 37.105 50.268 1.00 0.00 H ATOM 1641 HD13 LEU A 104 27.364 36.374 51.843 1.00 0.00 H ATOM 1642 H LEU A 104 28.748 34.939 48.246 1.00 0.00 H ATOM 1643 N VAL A 105 26.672 32.521 46.355 1.00 0.37 N ATOM 1644 CA VAL A 105 26.647 32.379 44.864 1.00 0.35 C ATOM 1645 C VAL A 105 25.253 31.964 44.440 1.00 0.34 C ATOM 1646 O VAL A 105 24.659 31.029 44.972 1.00 0.39 O ATOM 1647 CB VAL A 105 27.694 31.337 44.440 1.00 0.37 C ATOM 1648 CG1 VAL A 105 27.674 31.084 42.927 1.00 0.49 C ATOM 1649 CG2 VAL A 105 29.106 31.793 44.849 1.00 0.43 C ATOM 1650 HA VAL A 105 26.892 33.324 44.379 1.00 0.00 H ATOM 1651 HB VAL A 105 27.438 30.408 44.950 1.00 0.00 H ATOM 1652 HG11 VAL A 105 26.690 30.717 42.634 1.00 0.00 H ATOM 1653 HG12 VAL A 105 27.887 32.015 42.401 1.00 0.00 H ATOM 1654 HG13 VAL A 105 28.430 30.341 42.674 1.00 0.00 H ATOM 1655 HG21 VAL A 105 29.334 32.742 44.365 1.00 0.00 H ATOM 1656 HG22 VAL A 105 29.147 31.917 45.931 1.00 0.00 H ATOM 1657 HG23 VAL A 105 29.833 31.042 44.540 1.00 0.00 H ATOM 1658 H VAL A 105 26.585 31.680 46.961 1.00 0.00 H ATOM 1659 N ARG A 106 24.674 32.641 43.447 1.00 0.36 N ATOM 1660 CA ARG A 106 23.348 32.296 42.971 1.00 0.35 C ATOM 1661 C ARG A 106 23.444 31.851 41.500 1.00 0.38 C ATOM 1662 O ARG A 106 24.073 32.518 40.686 1.00 0.37 O ATOM 1663 CB ARG A 106 22.356 33.417 43.103 1.00 0.37 C ATOM 1664 CG ARG A 106 22.031 33.818 44.533 1.00 0.38 C ATOM 1665 CD ARG A 106 21.226 35.059 44.679 1.00 0.39 C ATOM 1666 NE ARG A 106 20.663 35.247 46.006 1.00 0.39 N ATOM 1667 CZ ARG A 106 21.221 35.993 46.946 1.00 0.38 C ATOM 1668 NH1 ARG A 106 22.394 36.574 46.731 1.00 0.39 N ATOM 1669 NH2 ARG A 106 20.599 36.143 48.101 1.00 0.42 N ATOM 1670 HA ARG A 106 22.979 31.486 43.600 1.00 0.00 H ATOM 1671 HB2 ARG A 106 22.760 34.290 42.590 1.00 0.00 H ATOM 1672 HB3 ARG A 106 21.430 33.109 42.618 1.00 0.00 H ATOM 1673 HG2 ARG A 106 21.476 33.001 44.994 1.00 0.00 H ATOM 1674 HG3 ARG A 106 22.972 33.962 45.064 1.00 0.00 H ATOM 1675 HD2 ARG A 106 20.407 35.023 43.961 1.00 0.00 H ATOM 1676 HD3 ARG A 106 21.867 35.912 44.454 1.00 0.00 H ATOM 1677 HE ARG A 106 19.768 34.767 46.230 1.00 0.00 H ATOM 1678 HH12 ARG A 106 22.828 37.159 47.473 1.00 0.00 H ATOM 1679 HH11 ARG A 106 22.879 36.444 45.820 1.00 0.00 H ATOM 1680 HH22 ARG A 106 21.025 36.726 48.849 1.00 0.00 H ATOM 1681 HH21 ARG A 106 19.683 35.678 48.263 1.00 0.00 H ATOM 1682 H ARG A 106 25.184 33.432 43.005 1.00 0.00 H ATOM 1683 N GLU A 107 22.825 30.728 41.199 1.00 0.40 N ATOM 1684 CA GLU A 107 22.840 30.260 39.804 1.00 0.42 C ATOM 1685 C GLU A 107 21.477 29.753 39.429 1.00 0.42 C ATOM 1686 O GLU A 107 20.688 29.356 40.329 1.00 0.44 O ATOM 1687 CB GLU A 107 23.910 29.161 39.679 1.00 0.51 C ATOM 1688 CG GLU A 107 23.564 27.901 40.385 1.00 0.63 C ATOM 1689 CD GLU A 107 24.685 26.900 40.423 1.00 0.61 C ATOM 1690 OE1 GLU A 107 25.336 26.643 39.353 1.00 0.65 O ATOM 1691 OE2 GLU A 107 24.903 26.377 41.561 1.00 0.66 O ATOM 1692 HA GLU A 107 23.086 31.073 39.121 1.00 0.00 H ATOM 1693 HB2 GLU A 107 24.049 28.935 38.622 1.00 0.00 H ATOM 1694 HB3 GLU A 107 24.843 29.542 40.093 1.00 0.00 H ATOM 1695 HG2 GLU A 107 23.287 28.146 41.410 1.00 0.00 H ATOM 1696 HG3 GLU A 107 22.713 27.445 39.879 1.00 0.00 H ATOM 1697 H GLU A 107 22.334 30.181 41.935 1.00 0.00 H ATOM 1698 N LEU A 108 21.107 29.846 38.180 1.00 0.41 N ATOM 1699 CA LEU A 108 19.778 29.365 37.747 1.00 0.46 C ATOM 1700 C LEU A 108 19.988 27.976 37.099 1.00 0.49 C ATOM 1701 O LEU A 108 20.780 27.869 36.208 1.00 0.50 O ATOM 1702 CB LEU A 108 19.276 30.313 36.621 1.00 0.49 C ATOM 1703 CG LEU A 108 18.815 31.670 37.144 1.00 0.55 C ATOM 1704 CD1 LEU A 108 17.757 31.475 38.193 1.00 0.58 C ATOM 1705 CD2 LEU A 108 19.973 32.512 37.693 1.00 0.60 C ATOM 1706 HA LEU A 108 19.078 29.329 38.582 1.00 0.00 H ATOM 1707 HB2 LEU A 108 20.089 30.472 35.912 1.00 0.00 H ATOM 1708 HB3 LEU A 108 18.440 29.835 36.111 1.00 0.00 H ATOM 1709 HG LEU A 108 18.399 32.224 36.303 1.00 0.00 H ATOM 1710 HD21 LEU A 108 20.450 31.979 38.516 1.00 0.00 H ATOM 1711 HD22 LEU A 108 20.701 32.687 36.901 1.00 0.00 H ATOM 1712 HD23 LEU A 108 19.588 33.467 38.052 1.00 0.00 H ATOM 1713 HD11 LEU A 108 16.908 30.947 37.758 1.00 0.00 H ATOM 1714 HD12 LEU A 108 18.167 30.890 39.016 1.00 0.00 H ATOM 1715 HD13 LEU A 108 17.431 32.447 38.563 1.00 0.00 H ATOM 1716 H LEU A 108 21.755 30.263 37.482 1.00 0.00 H ATOM 1717 N ILE A 109 19.231 27.032 37.640 1.00 0.51 N ATOM 1718 CA ILE A 109 19.326 25.648 37.137 1.00 0.58 C ATOM 1719 C ILE A 109 17.915 25.121 36.966 1.00 0.59 C ATOM 1720 O ILE A 109 17.123 25.140 37.902 1.00 0.59 O ATOM 1721 CB ILE A 109 20.121 24.815 38.193 1.00 0.59 C ATOM 1722 CG1 ILE A 109 21.576 25.322 38.269 1.00 0.62 C ATOM 1723 CG2 ILE A 109 20.093 23.346 37.764 1.00 0.66 C ATOM 1724 CD1 ILE A 109 22.500 24.609 39.189 1.00 0.66 C ATOM 1725 HA ILE A 109 19.842 25.587 36.179 1.00 0.00 H ATOM 1726 HB ILE A 109 19.669 24.921 39.179 1.00 0.00 H ATOM 1727 HG12 ILE A 109 21.998 25.258 37.266 1.00 0.00 H ATOM 1728 HG13 ILE A 109 21.543 26.366 38.582 1.00 0.00 H ATOM 1729 HD11 ILE A 109 22.117 24.672 40.208 1.00 0.00 H ATOM 1730 HD12 ILE A 109 22.572 23.563 38.891 1.00 0.00 H ATOM 1731 HD13 ILE A 109 23.486 25.071 39.141 1.00 0.00 H ATOM 1732 HG21 ILE A 109 19.060 23.002 37.716 1.00 0.00 H ATOM 1733 HG22 ILE A 109 20.556 23.247 36.782 1.00 0.00 H ATOM 1734 HG23 ILE A 109 20.643 22.747 38.489 1.00 0.00 H ATOM 1735 H ILE A 109 18.575 27.265 38.413 1.00 0.00 H ATOM 1736 N ASP A 110 17.561 24.795 35.714 1.00 0.61 N ATOM 1737 CA ASP A 110 16.211 24.247 35.483 1.00 0.67 C ATOM 1738 C ASP A 110 15.165 25.168 36.039 1.00 0.63 C ATOM 1739 O ASP A 110 14.125 24.767 36.549 1.00 0.63 O ATOM 1740 CB ASP A 110 16.130 22.835 35.994 1.00 0.74 C ATOM 1741 CG ASP A 110 15.755 22.652 37.434 1.00 0.79 C ATOM 1742 OD1 ASP A 110 16.553 22.934 38.374 1.00 0.82 O ATOM 1743 OD2 ASP A 110 14.599 22.172 37.693 1.00 0.84 O ATOM 1744 HA ASP A 110 16.008 24.190 34.414 1.00 0.00 H ATOM 1745 HB2 ASP A 110 15.389 22.309 35.392 1.00 0.00 H ATOM 1746 HB3 ASP A 110 17.108 22.376 35.848 1.00 0.00 H ATOM 1747 H ASP A 110 18.224 24.926 34.923 1.00 0.00 H ATOM 1748 N GLY A 111 15.420 26.498 35.940 1.00 0.57 N ATOM 1749 CA GLY A 111 14.347 27.426 36.285 1.00 0.55 C ATOM 1750 C GLY A 111 14.258 27.711 37.762 1.00 0.53 C ATOM 1751 O GLY A 111 13.502 28.585 38.165 1.00 0.54 O ATOM 1752 HA3 GLY A 111 13.400 26.998 35.957 1.00 0.00 H ATOM 1753 HA2 GLY A 111 14.520 28.366 35.761 1.00 0.00 H ATOM 1754 H GLY A 111 16.350 26.844 35.628 1.00 0.00 H ATOM 1755 N LYS A 112 15.050 27.022 38.573 1.00 0.50 N ATOM 1756 CA LYS A 112 15.147 27.313 40.000 1.00 0.49 C ATOM 1757 C LYS A 112 16.401 28.134 40.308 1.00 0.48 C ATOM 1758 O LYS A 112 17.371 28.082 39.575 1.00 0.47 O ATOM 1759 CB LYS A 112 15.200 26.024 40.792 1.00 0.50 C ATOM 1760 CG LYS A 112 13.909 25.191 40.571 1.00 0.54 C ATOM 1761 CD LYS A 112 13.984 23.968 41.431 1.00 0.60 C ATOM 1762 CE LYS A 112 13.159 22.832 40.817 1.00 0.64 C ATOM 1763 NZ LYS A 112 11.944 22.612 41.655 1.00 0.77 N ATOM 1764 HA LYS A 112 14.266 27.888 40.283 1.00 0.00 H ATOM 1765 HB2 LYS A 112 16.062 25.441 40.469 1.00 0.00 H ATOM 1766 HB3 LYS A 112 15.298 26.259 41.852 1.00 0.00 H ATOM 1767 HG2 LYS A 112 13.036 25.783 40.847 1.00 0.00 H ATOM 1768 HG3 LYS A 112 13.832 24.901 39.523 1.00 0.00 H ATOM 1769 HD2 LYS A 112 15.024 23.652 41.516 1.00 0.00 H ATOM 1770 HD3 LYS A 112 13.594 24.201 42.422 1.00 0.00 H ATOM 1771 HE2 LYS A 112 13.755 21.920 40.789 1.00 0.00 H ATOM 1772 HE3 LYS A 112 12.861 23.101 39.804 1.00 0.00 H ATOM 1773 HZ1 LYS A 112 12.232 22.356 42.621 1.00 0.00 H ATOM 1774 HZ2 LYS A 112 11.379 23.485 41.680 1.00 0.00 H ATOM 1775 HZ3 LYS A 112 11.377 21.842 41.246 1.00 0.00 H ATOM 1776 H LYS A 112 15.621 26.248 38.178 1.00 0.00 H ATOM 1777 N LEU A 113 16.358 28.839 41.431 1.00 0.44 N ATOM 1778 CA LEU A 113 17.530 29.676 41.803 1.00 0.43 C ATOM 1779 C LEU A 113 18.242 28.939 42.933 1.00 0.44 C ATOM 1780 O LEU A 113 17.564 28.637 43.949 1.00 0.41 O ATOM 1781 CB LEU A 113 16.973 31.013 42.318 1.00 0.47 C ATOM 1782 CG LEU A 113 17.951 32.097 42.733 1.00 0.49 C ATOM 1783 CD1 LEU A 113 18.917 32.439 41.616 1.00 0.54 C ATOM 1784 CD2 LEU A 113 17.180 33.363 43.156 1.00 0.53 C ATOM 1785 HA LEU A 113 18.216 29.853 40.974 1.00 0.00 H ATOM 1786 HB2 LEU A 113 16.350 31.428 41.526 1.00 0.00 H ATOM 1787 HB3 LEU A 113 16.353 30.790 43.186 1.00 0.00 H ATOM 1788 HG LEU A 113 18.531 31.717 43.574 1.00 0.00 H ATOM 1789 HD21 LEU A 113 16.581 33.719 42.318 1.00 0.00 H ATOM 1790 HD22 LEU A 113 16.527 33.126 43.996 1.00 0.00 H ATOM 1791 HD23 LEU A 113 17.889 34.136 43.452 1.00 0.00 H ATOM 1792 HD11 LEU A 113 19.485 31.550 41.344 1.00 0.00 H ATOM 1793 HD12 LEU A 113 18.358 32.794 40.750 1.00 0.00 H ATOM 1794 HD13 LEU A 113 19.600 33.219 41.954 1.00 0.00 H ATOM 1795 H LEU A 113 15.517 28.807 42.042 1.00 0.00 H ATOM 1796 N ILE A 114 19.481 28.575 42.736 1.00 0.40 N ATOM 1797 CA ILE A 114 20.229 27.834 43.762 1.00 0.40 C ATOM 1798 C ILE A 114 21.208 28.790 44.437 1.00 0.38 C ATOM 1799 O ILE A 114 22.070 29.379 43.765 1.00 0.42 O ATOM 1800 CB ILE A 114 20.984 26.643 43.173 1.00 0.44 C ATOM 1801 CG1 ILE A 114 20.085 25.683 42.381 1.00 0.47 C ATOM 1802 CG2 ILE A 114 21.777 25.925 44.227 1.00 0.48 C ATOM 1803 CD1 ILE A 114 18.723 25.536 42.859 1.00 0.54 C ATOM 1804 HA ILE A 114 19.519 27.436 44.488 1.00 0.00 H ATOM 1805 HB ILE A 114 21.685 27.055 42.447 1.00 0.00 H ATOM 1806 HG12 ILE A 114 20.039 26.042 41.353 1.00 0.00 H ATOM 1807 HG13 ILE A 114 20.552 24.698 42.400 1.00 0.00 H ATOM 1808 HD11 ILE A 114 18.737 25.160 43.882 1.00 0.00 H ATOM 1809 HD12 ILE A 114 18.224 26.505 42.834 1.00 0.00 H ATOM 1810 HD13 ILE A 114 18.189 24.834 42.219 1.00 0.00 H ATOM 1811 HG21 ILE A 114 22.500 26.612 44.667 1.00 0.00 H ATOM 1812 HG22 ILE A 114 21.103 25.560 45.002 1.00 0.00 H ATOM 1813 HG23 ILE A 114 22.302 25.083 43.775 1.00 0.00 H ATOM 1814 H ILE A 114 19.947 28.814 41.837 1.00 0.00 H ATOM 1815 N LEU A 115 21.055 28.941 45.734 1.00 0.36 N ATOM 1816 CA LEU A 115 21.990 29.794 46.520 1.00 0.36 C ATOM 1817 C LEU A 115 22.954 28.883 47.290 1.00 0.36 C ATOM 1818 O LEU A 115 22.493 28.036 48.087 1.00 0.41 O ATOM 1819 CB LEU A 115 21.175 30.628 47.521 1.00 0.34 C ATOM 1820 CG LEU A 115 21.942 31.405 48.567 1.00 0.37 C ATOM 1821 CD1 LEU A 115 22.901 32.410 47.925 1.00 0.38 C ATOM 1822 CD2 LEU A 115 21.023 32.078 49.570 1.00 0.38 C ATOM 1823 HA LEU A 115 22.550 30.454 45.858 1.00 0.00 H ATOM 1824 HB2 LEU A 115 20.587 31.344 46.947 1.00 0.00 H ATOM 1825 HB3 LEU A 115 20.505 29.947 48.045 1.00 0.00 H ATOM 1826 HG LEU A 115 22.541 30.683 49.122 1.00 0.00 H ATOM 1827 HD21 LEU A 115 20.363 32.771 49.048 1.00 0.00 H ATOM 1828 HD22 LEU A 115 20.427 31.321 50.079 1.00 0.00 H ATOM 1829 HD23 LEU A 115 21.621 32.623 50.300 1.00 0.00 H ATOM 1830 HD11 LEU A 115 23.615 31.878 47.296 1.00 0.00 H ATOM 1831 HD12 LEU A 115 22.333 33.115 47.317 1.00 0.00 H ATOM 1832 HD13 LEU A 115 23.435 32.950 48.706 1.00 0.00 H ATOM 1833 H LEU A 115 20.271 28.459 46.218 1.00 0.00 H ATOM 1834 N THR A 116 24.239 29.036 47.044 1.00 0.37 N ATOM 1835 CA THR A 116 25.284 28.324 47.764 1.00 0.38 C ATOM 1836 C THR A 116 26.096 29.331 48.632 1.00 0.37 C ATOM 1837 O THR A 116 26.649 30.283 48.145 1.00 0.38 O ATOM 1838 CB THR A 116 26.286 27.632 46.787 1.00 0.39 C ATOM 1839 OG1 THR A 116 25.509 26.762 45.911 1.00 0.45 O ATOM 1840 CG2 THR A 116 27.245 26.780 47.565 1.00 0.42 C ATOM 1841 HA THR A 116 24.798 27.567 48.380 1.00 0.00 H ATOM 1842 HB THR A 116 26.842 28.381 46.222 1.00 0.00 H ATOM 1843 HG1 THR A 116 24.851 27.305 45.408 1.00 0.00 H ATOM 1844 HG23 THR A 116 27.836 27.413 48.227 1.00 0.00 H ATOM 1845 HG21 THR A 116 26.687 26.054 48.157 1.00 0.00 H ATOM 1846 HG22 THR A 116 27.906 26.256 46.875 1.00 0.00 H ATOM 1847 H THR A 116 24.522 29.701 46.296 1.00 0.00 H ATOM 1848 N LEU A 117 26.161 28.981 49.925 1.00 0.34 N ATOM 1849 CA LEU A 117 26.825 29.824 50.933 1.00 0.35 C ATOM 1850 C LEU A 117 28.041 29.005 51.484 1.00 0.38 C ATOM 1851 O LEU A 117 27.853 27.853 51.936 1.00 0.41 O ATOM 1852 CB LEU A 117 25.875 30.102 52.085 1.00 0.38 C ATOM 1853 CG LEU A 117 24.496 30.646 51.783 1.00 0.40 C ATOM 1854 CD1 LEU A 117 23.632 30.693 53.061 1.00 0.55 C ATOM 1855 CD2 LEU A 117 24.581 32.055 51.264 1.00 0.55 C ATOM 1856 HA LEU A 117 27.136 30.771 50.491 1.00 0.00 H ATOM 1857 HB2 LEU A 117 25.738 29.162 52.620 1.00 0.00 H ATOM 1858 HB3 LEU A 117 26.367 30.823 52.738 1.00 0.00 H ATOM 1859 HG LEU A 117 24.051 29.984 51.040 1.00 0.00 H ATOM 1860 HD21 LEU A 117 25.054 32.689 52.014 1.00 0.00 H ATOM 1861 HD22 LEU A 117 25.173 32.069 50.349 1.00 0.00 H ATOM 1862 HD23 LEU A 117 23.577 32.425 51.054 1.00 0.00 H ATOM 1863 HD11 LEU A 117 23.532 29.687 53.467 1.00 0.00 H ATOM 1864 HD12 LEU A 117 24.111 31.338 53.798 1.00 0.00 H ATOM 1865 HD13 LEU A 117 22.646 31.088 52.817 1.00 0.00 H ATOM 1866 H LEU A 117 25.728 28.084 50.226 1.00 0.00 H ATOM 1867 N THR A 118 29.205 29.625 51.440 1.00 0.39 N ATOM 1868 CA THR A 118 30.416 28.950 51.909 1.00 0.38 C ATOM 1869 C THR A 118 31.155 29.864 52.901 1.00 0.41 C ATOM 1870 O THR A 118 31.377 31.022 52.627 1.00 0.42 O ATOM 1871 CB THR A 118 31.378 28.764 50.678 1.00 0.40 C ATOM 1872 OG1 THR A 118 30.706 27.940 49.728 1.00 0.43 O ATOM 1873 CG2 THR A 118 32.613 28.027 51.118 1.00 0.44 C ATOM 1874 HA THR A 118 30.148 28.001 52.373 1.00 0.00 H ATOM 1875 HB THR A 118 31.645 29.735 50.260 1.00 0.00 H ATOM 1876 HG1 THR A 118 31.289 27.805 48.939 1.00 0.00 H ATOM 1877 HG23 THR A 118 33.154 28.630 51.848 1.00 0.00 H ATOM 1878 HG21 THR A 118 32.326 27.078 51.570 1.00 0.00 H ATOM 1879 HG22 THR A 118 33.251 27.841 50.254 1.00 0.00 H ATOM 1880 H THR A 118 29.262 30.596 51.071 1.00 0.00 H ATOM 1881 N HIS A 119 31.504 29.275 54.038 1.00 0.40 N ATOM 1882 CA HIS A 119 32.415 29.927 54.985 1.00 0.41 C ATOM 1883 C HIS A 119 33.255 28.838 55.644 1.00 0.42 C ATOM 1884 O HIS A 119 32.700 27.873 56.148 1.00 0.43 O ATOM 1885 CB HIS A 119 31.661 30.749 56.010 1.00 0.42 C ATOM 1886 CG HIS A 119 32.510 31.330 57.105 1.00 0.44 C ATOM 1887 ND1 HIS A 119 33.332 32.391 56.984 1.00 0.47 N ATOM 1888 CD2 HIS A 119 32.639 30.918 58.376 1.00 0.45 C ATOM 1889 CE1 HIS A 119 33.990 32.633 58.150 1.00 0.44 C ATOM 1890 NE2 HIS A 119 33.552 31.751 58.999 1.00 0.50 N ATOM 1891 HA HIS A 119 33.062 30.628 54.458 1.00 0.00 H ATOM 1892 HB2 HIS A 119 31.170 31.571 55.490 1.00 0.00 H ATOM 1893 HB3 HIS A 119 30.907 30.109 56.469 1.00 0.00 H ATOM 1894 HD2 HIS A 119 32.118 30.078 58.835 1.00 0.00 H ATOM 1895 HE1 HIS A 119 34.733 33.409 58.335 1.00 0.00 H ATOM 1896 H HIS A 119 31.124 28.333 54.262 1.00 0.00 H ATOM 1897 N GLY A 120 34.577 29.002 55.590 1.00 0.44 N ATOM 1898 CA GLY A 120 35.394 27.941 56.171 1.00 0.48 C ATOM 1899 C GLY A 120 35.185 26.635 55.468 1.00 0.48 C ATOM 1900 O GLY A 120 35.234 26.605 54.230 1.00 0.51 O ATOM 1901 HA3 GLY A 120 35.127 27.824 57.221 1.00 0.00 H ATOM 1902 HA2 GLY A 120 36.445 28.221 56.093 1.00 0.00 H ATOM 1903 H GLY A 120 35.005 29.844 55.155 1.00 0.00 H ATOM 1904 N THR A 121 34.898 25.561 56.180 1.00 0.47 N ATOM 1905 CA THR A 121 34.568 24.306 55.546 1.00 0.46 C ATOM 1906 C THR A 121 33.097 24.089 55.362 1.00 0.42 C ATOM 1907 O THR A 121 32.674 23.093 54.717 1.00 0.46 O ATOM 1908 CB THR A 121 35.094 23.112 56.435 1.00 0.47 C ATOM 1909 OG1 THR A 121 34.523 23.263 57.746 1.00 0.49 O ATOM 1910 CG2 THR A 121 36.578 23.215 56.544 1.00 0.51 C ATOM 1911 HA THR A 121 35.038 24.342 54.563 1.00 0.00 H ATOM 1912 HB THR A 121 34.821 22.151 55.999 1.00 0.00 H ATOM 1913 HG1 THR A 121 34.806 24.131 58.130 1.00 0.00 H ATOM 1914 HG23 THR A 121 37.022 23.102 55.555 1.00 0.00 H ATOM 1915 HG21 THR A 121 36.844 24.189 56.954 1.00 0.00 H ATOM 1916 HG22 THR A 121 36.948 22.429 57.202 1.00 0.00 H ATOM 1917 H THR A 121 34.910 25.620 57.218 1.00 0.00 H ATOM 1918 N ALA A 122 32.264 24.997 55.822 1.00 0.41 N ATOM 1919 CA ALA A 122 30.806 24.763 55.773 1.00 0.42 C ATOM 1920 C ALA A 122 30.262 25.236 54.429 1.00 0.41 C ATOM 1921 O ALA A 122 30.559 26.353 54.001 1.00 0.48 O ATOM 1922 CB ALA A 122 30.132 25.579 56.901 1.00 0.45 C ATOM 1923 HA ALA A 122 30.599 23.700 55.900 1.00 0.00 H ATOM 1924 HB1 ALA A 122 30.526 25.258 57.865 1.00 0.00 H ATOM 1925 HB2 ALA A 122 30.342 26.639 56.756 1.00 0.00 H ATOM 1926 HB3 ALA A 122 29.055 25.413 56.874 1.00 0.00 H ATOM 1927 H ALA A 122 32.633 25.883 56.222 1.00 0.00 H ATOM 1928 N VAL A 123 29.434 24.418 53.807 1.00 0.40 N ATOM 1929 CA VAL A 123 28.750 24.678 52.596 1.00 0.40 C ATOM 1930 C VAL A 123 27.237 24.388 52.765 1.00 0.40 C ATOM 1931 O VAL A 123 26.808 23.296 53.061 1.00 0.45 O ATOM 1932 CB VAL A 123 29.272 23.832 51.438 1.00 0.40 C ATOM 1933 CG1 VAL A 123 28.611 24.215 50.141 1.00 0.49 C ATOM 1934 CG2 VAL A 123 30.804 23.960 51.332 1.00 0.49 C ATOM 1935 HA VAL A 123 28.921 25.729 52.362 1.00 0.00 H ATOM 1936 HB VAL A 123 29.023 22.790 51.639 1.00 0.00 H ATOM 1937 HG11 VAL A 123 27.535 24.064 50.225 1.00 0.00 H ATOM 1938 HG12 VAL A 123 28.816 25.264 49.926 1.00 0.00 H ATOM 1939 HG13 VAL A 123 29.005 23.594 49.337 1.00 0.00 H ATOM 1940 HG21 VAL A 123 31.069 25.003 51.160 1.00 0.00 H ATOM 1941 HG22 VAL A 123 31.261 23.616 52.260 1.00 0.00 H ATOM 1942 HG23 VAL A 123 31.162 23.351 50.502 1.00 0.00 H ATOM 1943 H VAL A 123 29.268 23.492 54.250 1.00 0.00 H ATOM 1944 N CYS A 124 26.422 25.401 52.494 1.00 0.38 N ATOM 1945 CA CYS A 124 24.998 25.320 52.551 1.00 0.36 C ATOM 1946 C CYS A 124 24.377 25.565 51.171 1.00 0.37 C ATOM 1947 O CYS A 124 24.849 26.459 50.436 1.00 0.38 O ATOM 1948 CB CYS A 124 24.473 26.352 53.554 1.00 0.36 C ATOM 1949 SG CYS A 124 22.757 26.761 53.506 1.00 0.39 S ATOM 1950 HA CYS A 124 24.717 24.317 52.872 1.00 0.00 H ATOM 1951 HB2 CYS A 124 25.030 27.274 53.391 1.00 0.00 H ATOM 1952 HB3 CYS A 124 24.687 25.971 54.553 1.00 0.00 H ATOM 1953 HG CYS A 124 22.008 25.625 53.737 1.00 0.00 H ATOM 1954 H CYS A 124 26.848 26.310 52.223 1.00 0.00 H ATOM 1955 N THR A 125 23.408 24.774 50.812 1.00 0.36 N ATOM 1956 CA THR A 125 22.674 24.947 49.555 1.00 0.39 C ATOM 1957 C THR A 125 21.207 25.235 49.846 1.00 0.38 C ATOM 1958 O THR A 125 20.559 24.411 50.555 1.00 0.39 O ATOM 1959 CB THR A 125 22.743 23.657 48.687 1.00 0.40 C ATOM 1960 OG1 THR A 125 24.091 23.244 48.552 1.00 0.47 O ATOM 1961 CG2 THR A 125 22.169 23.891 47.327 1.00 0.49 C ATOM 1962 HA THR A 125 23.132 25.777 49.017 1.00 0.00 H ATOM 1963 HB THR A 125 22.159 22.883 49.186 1.00 0.00 H ATOM 1964 HG1 THR A 125 24.469 23.058 49.448 1.00 0.00 H ATOM 1965 HG23 THR A 125 21.131 24.209 47.422 1.00 0.00 H ATOM 1966 HG21 THR A 125 22.743 24.666 46.820 1.00 0.00 H ATOM 1967 HG22 THR A 125 22.216 22.967 46.750 1.00 0.00 H ATOM 1968 H THR A 125 23.144 23.989 51.441 1.00 0.00 H ATOM 1969 N ARG A 126 20.709 26.323 49.304 1.00 0.35 N ATOM 1970 CA ARG A 126 19.303 26.695 49.463 1.00 0.38 C ATOM 1971 C ARG A 126 18.655 26.897 48.102 1.00 0.40 C ATOM 1972 O ARG A 126 19.257 27.537 47.219 1.00 0.43 O ATOM 1973 CB ARG A 126 19.261 28.056 50.257 1.00 0.41 C ATOM 1974 CG ARG A 126 19.640 27.731 51.708 1.00 0.46 C ATOM 1975 CD ARG A 126 19.773 28.852 52.634 1.00 0.44 C ATOM 1976 NE ARG A 126 18.602 29.625 52.916 1.00 0.42 N ATOM 1977 CZ ARG A 126 17.795 29.546 53.950 1.00 0.40 C ATOM 1978 NH1 ARG A 126 17.719 28.462 54.682 1.00 0.43 N ATOM 1979 NH2 ARG A 126 17.026 30.560 54.270 1.00 0.40 N ATOM 1980 HA ARG A 126 18.765 25.909 49.992 1.00 0.00 H ATOM 1981 HB2 ARG A 126 19.974 28.762 49.831 1.00 0.00 H ATOM 1982 HB3 ARG A 126 18.259 28.484 50.217 1.00 0.00 H ATOM 1983 HG2 ARG A 126 18.873 27.067 52.106 1.00 0.00 H ATOM 1984 HG3 ARG A 126 20.596 27.208 51.687 1.00 0.00 H ATOM 1985 HD2 ARG A 126 20.519 29.530 52.220 1.00 0.00 H ATOM 1986 HD3 ARG A 126 20.135 28.451 53.581 1.00 0.00 H ATOM 1987 HE ARG A 126 18.357 30.346 52.208 1.00 0.00 H ATOM 1988 HH12 ARG A 126 17.071 28.428 55.495 1.00 0.00 H ATOM 1989 HH11 ARG A 126 18.307 27.636 54.450 1.00 0.00 H ATOM 1990 HH22 ARG A 126 16.389 30.492 55.090 1.00 0.00 H ATOM 1991 HH21 ARG A 126 17.053 31.432 53.704 1.00 0.00 H ATOM 1992 H ARG A 126 21.333 26.939 48.745 1.00 0.00 H ATOM 1993 N THR A 127 17.486 26.323 47.925 1.00 0.37 N ATOM 1994 CA THR A 127 16.759 26.292 46.674 1.00 0.38 C ATOM 1995 C THR A 127 15.495 27.163 46.772 1.00 0.39 C ATOM 1996 O THR A 127 14.739 27.007 47.720 1.00 0.39 O ATOM 1997 CB THR A 127 16.297 24.868 46.310 1.00 0.40 C ATOM 1998 OG1 THR A 127 17.480 24.022 46.283 1.00 0.46 O ATOM 1999 CG2 THR A 127 15.684 24.848 44.927 1.00 0.45 C ATOM 2000 HA THR A 127 17.442 26.663 45.910 1.00 0.00 H ATOM 2001 HB THR A 127 15.559 24.525 47.036 1.00 0.00 H ATOM 2002 HG1 THR A 127 17.911 24.031 47.174 1.00 0.00 H ATOM 2003 HG23 THR A 127 14.793 25.475 44.917 1.00 0.00 H ATOM 2004 HG21 THR A 127 16.406 25.229 44.205 1.00 0.00 H ATOM 2005 HG22 THR A 127 15.413 23.825 44.666 1.00 0.00 H ATOM 2006 H THR A 127 17.051 25.856 48.746 1.00 0.00 H ATOM 2007 N TYR A 128 15.382 28.022 45.758 1.00 0.39 N ATOM 2008 CA TYR A 128 14.280 28.984 45.663 1.00 0.39 C ATOM 2009 C TYR A 128 13.491 28.716 44.359 1.00 0.41 C ATOM 2010 O TYR A 128 14.117 28.406 43.337 1.00 0.44 O ATOM 2011 CB TYR A 128 14.862 30.421 45.607 1.00 0.40 C ATOM 2012 CG TYR A 128 15.251 30.960 46.980 1.00 0.40 C ATOM 2013 CD1 TYR A 128 16.476 30.747 47.573 1.00 0.40 C ATOM 2014 CD2 TYR A 128 14.329 31.748 47.667 1.00 0.41 C ATOM 2015 CE1 TYR A 128 16.740 31.278 48.874 1.00 0.40 C ATOM 2016 CE2 TYR A 128 14.580 32.271 48.894 1.00 0.42 C ATOM 2017 CZ TYR A 128 15.791 32.016 49.500 1.00 0.42 C ATOM 2018 OH TYR A 128 16.016 32.608 50.756 1.00 0.46 O ATOM 2019 HA TYR A 128 13.624 28.881 46.528 1.00 0.00 H ATOM 2020 HB3 TYR A 128 14.113 31.083 45.173 1.00 0.00 H ATOM 2021 HB2 TYR A 128 15.748 30.413 44.973 1.00 0.00 H ATOM 2022 HD2 TYR A 128 13.366 31.953 47.199 1.00 0.00 H ATOM 2023 HE2 TYR A 128 13.832 32.886 49.394 1.00 0.00 H ATOM 2024 HE1 TYR A 128 17.698 31.091 49.359 1.00 0.00 H ATOM 2025 HD1 TYR A 128 17.243 30.175 47.051 1.00 0.00 H ATOM 2026 HH TYR A 128 16.914 32.351 51.084 1.00 0.00 H ATOM 2027 H TYR A 128 16.102 28.009 45.007 1.00 0.00 H ATOM 2028 N GLU A 129 12.172 28.819 44.420 1.00 0.41 N ATOM 2029 CA GLU A 129 11.297 28.715 43.236 1.00 0.45 C ATOM 2030 C GLU A 129 10.608 30.051 42.962 1.00 0.45 C ATOM 2031 O GLU A 129 10.328 30.791 43.884 1.00 0.43 O ATOM 2032 CB GLU A 129 10.204 27.649 43.484 1.00 0.48 C ATOM 2033 CG GLU A 129 10.810 26.231 43.412 1.00 0.60 C ATOM 2034 CD GLU A 129 9.688 25.189 43.381 1.00 0.63 C ATOM 2035 OE1 GLU A 129 8.508 25.608 43.456 1.00 0.70 O ATOM 2036 OE2 GLU A 129 10.002 23.999 43.312 1.00 0.68 O ATOM 2037 HA GLU A 129 11.913 28.436 42.381 1.00 0.00 H ATOM 2038 HB2 GLU A 129 9.768 27.804 44.471 1.00 0.00 H ATOM 2039 HB3 GLU A 129 9.427 27.747 42.725 1.00 0.00 H ATOM 2040 HG2 GLU A 129 11.414 26.140 42.509 1.00 0.00 H ATOM 2041 HG3 GLU A 129 11.438 26.061 44.286 1.00 0.00 H ATOM 2042 H GLU A 129 11.731 28.981 45.348 1.00 0.00 H ATOM 2043 N LYS A 130 10.357 30.349 41.689 1.00 0.48 N ATOM 2044 CA LYS A 130 9.906 31.687 41.315 1.00 0.50 C ATOM 2045 C LYS A 130 8.419 31.801 41.662 1.00 0.55 C ATOM 2046 O LYS A 130 7.680 30.841 41.401 1.00 0.59 O ATOM 2047 CB LYS A 130 10.148 31.951 39.838 1.00 0.56 C ATOM 2048 CG LYS A 130 10.292 33.415 39.466 1.00 0.61 C ATOM 2049 CD LYS A 130 10.956 33.579 38.104 1.00 0.62 C ATOM 2050 CE LYS A 130 11.573 34.935 37.947 1.00 0.65 C ATOM 2051 NZ LYS A 130 10.737 35.796 37.064 1.00 0.68 N ATOM 2052 HA LYS A 130 10.472 32.438 41.865 1.00 0.00 H ATOM 2053 HB2 LYS A 130 11.063 31.436 39.547 1.00 0.00 H ATOM 2054 HB3 LYS A 130 9.308 31.540 39.278 1.00 0.00 H ATOM 2055 HG2 LYS A 130 9.303 33.873 39.436 1.00 0.00 H ATOM 2056 HG3 LYS A 130 10.900 33.915 40.220 1.00 0.00 H ATOM 2057 HD2 LYS A 130 11.733 32.822 37.996 1.00 0.00 H ATOM 2058 HD3 LYS A 130 10.205 33.440 37.326 1.00 0.00 H ATOM 2059 HE2 LYS A 130 12.565 34.828 37.508 1.00 0.00 H ATOM 2060 HE3 LYS A 130 11.660 35.405 38.927 1.00 0.00 H ATOM 2061 HZ1 LYS A 130 10.655 35.353 36.127 1.00 0.00 H ATOM 2062 HZ2 LYS A 130 9.791 35.903 37.482 1.00 0.00 H ATOM 2063 HZ3 LYS A 130 11.184 36.730 36.969 1.00 0.00 H ATOM 2064 H LYS A 130 10.483 29.623 40.955 1.00 0.00 H ATOM 2065 N GLU A 131 8.076 32.837 42.367 1.00 0.57 N ATOM 2066 CA GLU A 131 6.642 33.123 42.695 1.00 0.64 C ATOM 2067 C GLU A 131 6.132 34.064 41.591 1.00 0.65 C ATOM 2068 O GLU A 131 5.081 33.770 40.946 1.00 0.71 O ATOM 2069 CB GLU A 131 6.668 33.799 44.041 1.00 0.65 C ATOM 2070 CG GLU A 131 5.451 34.339 44.667 1.00 0.70 C ATOM 2071 CD GLU A 131 5.463 34.221 46.202 1.00 0.77 C ATOM 2072 OE1 GLU A 131 5.061 33.142 46.715 1.00 0.79 O ATOM 2073 OE2 GLU A 131 5.884 35.189 46.872 1.00 0.82 O ATOM 2074 HA GLU A 131 5.995 32.247 42.739 1.00 0.00 H ATOM 2075 HB2 GLU A 131 7.073 33.069 44.741 1.00 0.00 H ATOM 2076 HB3 GLU A 131 7.361 34.636 43.949 1.00 0.00 H ATOM 2077 HG2 GLU A 131 5.360 35.392 44.400 1.00 0.00 H ATOM 2078 HG3 GLU A 131 4.590 33.792 44.283 1.00 0.00 H ATOM 2079 H GLU A 131 8.814 33.483 42.712 1.00 0.00 H TER 2080 GLU A 131 HETATM 2081 O HOH 1 10.938 40.680 37.069 1.00 0.67 O HETATM 2082 O HOH 2 10.543 34.786 34.603 1.00 0.73 O HETATM 2083 O HOH 3 29.315 41.997 36.637 1.00 0.69 O HETATM 2084 O HOH 4 15.501 50.429 45.428 1.00 0.65 O HETATM 2085 O HOH 5 23.134 38.244 48.566 1.00 0.53 O HETATM 2086 O HOH 6 14.327 32.921 35.638 1.00 0.69 O HETATM 2087 O HOH 7 23.533 23.066 66.110 1.00 0.54 O HETATM 2088 O HOH 8 24.401 17.579 47.506 1.00 0.90 O HETATM 2089 O HOH 9 24.551 38.084 54.335 1.00 0.50 O HETATM 2090 O HOH 10 15.426 22.301 55.741 1.00 0.70 O HETATM 2091 O HOH 11 25.188 29.649 71.100 1.00 0.72 O HETATM 2092 O HOH 12 21.304 33.825 69.672 1.00 0.76 O HETATM 2093 O HOH 13 12.734 30.792 36.424 1.00 0.67 O HETATM 2094 O HOH 14 17.997 44.700 58.552 1.00 0.62 O HETATM 2095 O HOH 15 22.211 48.236 56.648 1.00 0.60 O HETATM 2096 O HOH 16 21.334 40.878 51.609 1.00 0.53 O HETATM 2097 O HOH 17 17.772 24.991 58.204 1.00 0.64 O HETATM 2098 O HOH 18 23.951 39.495 51.872 1.00 0.67 O HETATM 2099 O HOH 19 19.605 37.074 51.819 1.00 0.44 O HETATM 2100 O HOH 20 21.900 38.293 50.932 1.00 0.63 O HETATM 2101 O HOH 21 34.957 48.982 44.055 1.00 0.56 O HETATM 2102 O HOH 22 28.642 51.447 46.156 1.00 0.57 O HETATM 2103 O HOH 23 19.945 49.087 53.497 1.00 0.58 O HETATM 2104 O HOH 24 31.372 47.863 56.065 1.00 0.69 O HETATM 2105 O HOH 25 27.684 36.238 63.370 1.00 0.55 O HETATM 2106 O HOH 26 34.142 37.394 43.450 1.00 0.71 O HETATM 2107 O HOH 27 15.392 52.238 34.422 1.00 0.55 O HETATM 2108 O HOH 28 26.075 50.618 51.348 1.00 0.62 O HETATM 2109 O HOH 29 32.305 39.205 43.766 1.00 0.65 O HETATM 2110 O HOH 30 28.925 35.855 32.895 1.00 0.47 O HETATM 2111 O HOH 31 30.588 38.289 33.424 1.00 0.41 O HETATM 2112 O HOH 32 17.317 49.012 42.047 1.00 0.43 O HETATM 2113 O HOH 33 28.929 45.243 43.961 1.00 0.38 O HETATM 2114 O HOH 34 24.701 36.152 44.930 1.00 0.42 O HETATM 2115 O HOH 35 12.697 49.016 39.984 1.00 0.62 O HETATM 2116 O HOH 36 14.678 49.207 41.861 1.00 0.50 O HETATM 2117 O HOH 37 25.276 47.128 37.807 1.00 0.57 O HETATM 2118 O HOH 38 18.725 23.005 48.704 1.00 0.48 O HETATM 2119 O HOH 39 19.370 23.893 56.250 1.00 0.37 O HETATM 2120 O HOH 40 20.938 22.449 58.983 1.00 0.45 O HETATM 2121 O HOH 41 18.213 34.909 49.142 1.00 0.43 O HETATM 2122 O HOH 42 18.318 33.662 46.738 1.00 0.49 O HETATM 2123 O HOH 43 31.028 22.072 58.101 1.00 0.67 O HETATM 2124 O HOH 44 22.353 39.420 55.313 1.00 0.41 O HETATM 2125 O HOH 45 26.646 36.019 54.813 1.00 0.40 O HETATM 2126 O HOH 46 19.835 38.548 54.332 1.00 0.45 O HETATM 2127 O HOH 47 17.287 23.964 64.513 1.00 0.55 O HETATM 2128 O HOH 48 15.754 30.121 56.738 1.00 0.54 O HETATM 2129 O HOH 49 22.511 41.983 54.101 1.00 0.44 O HETATM 2130 O HOH 50 18.622 41.365 51.180 1.00 0.41 O HETATM 2131 O HOH 51 12.571 45.840 52.038 1.00 0.44 O HETATM 2132 O HOH 52 23.361 46.709 54.670 1.00 0.50 O HETATM 2133 O HOH 53 27.751 49.212 44.663 1.00 0.44 O HETATM 2134 O HOH 54 21.384 44.556 54.776 1.00 0.53 O HETATM 2135 O HOH 55 18.075 50.106 48.962 1.00 0.51 O HETATM 2136 O HOH 56 33.204 51.595 46.885 1.00 0.56 O HETATM 2137 O HOH 57 28.608 51.674 50.538 1.00 0.55 O HETATM 2138 O HOH 58 24.815 28.170 43.733 1.00 0.45 O HETATM 2139 O HOH 59 29.439 29.820 47.953 1.00 0.43 O HETATM 2140 O HOH 60 33.642 26.097 58.884 1.00 0.56 O HETATM 2141 O HOH 61 10.626 20.496 54.724 1.00 0.63 O HETATM 2142 O HOH 62 29.429 40.541 32.120 1.00 0.49 O HETATM 2143 O HOH 63 22.911 31.106 36.351 1.00 0.57 O HETATM 2144 O HOH 64 16.410 46.673 30.622 1.00 0.70 O HETATM 2145 O HOH 65 13.067 21.173 46.217 1.00 0.91 O HETATM 2146 O HOH 66 12.211 24.194 57.878 1.00 0.68 O HETATM 2147 O HOH 67 11.359 28.119 39.884 1.00 0.60 O HETATM 2148 O HOH 68 8.396 36.978 39.906 1.00 0.63 O HETATM 2149 O HOH 69 12.439 21.549 56.466 1.00 0.60 O HETATM 2150 O HOH 70 8.421 35.059 53.211 1.00 0.75 O HETATM 2151 O HOH 71 15.893 27.229 56.765 1.00 0.66 O HETATM 2152 O HOH 72 26.078 25.796 70.594 1.00 0.71 O HETATM 2153 O HOH 73 28.657 21.777 55.478 1.00 0.70 O HETATM 2154 O HOH 74 8.604 40.859 55.621 1.00 0.73 O HETATM 2155 O HOH 75 7.240 40.544 50.830 1.00 0.70 O HETATM 2156 O HOH 76 39.089 39.802 54.273 1.00 0.58 O HETATM 2157 O HOH 77 39.022 41.892 55.658 1.00 0.68 O HETATM 2158 O HOH 78 30.299 28.554 45.705 1.00 0.63 O HETATM 2159 O HOH 79 37.463 43.949 54.883 1.00 0.79 O HETATM 2160 O HOH 80 35.644 31.274 54.054 1.00 0.58 O HETATM 2161 O HOH 81 31.524 36.133 62.468 1.00 0.77 O HETATM 2162 O HOH 82 40.135 33.682 52.657 1.00 0.92 O HETATM 2163 O HOH 83 31.739 26.271 47.772 1.00 0.75 O HETATM 2164 O HOH 84 37.291 33.289 56.124 1.00 0.68 O HETATM 2165 O HOH 85 8.765 40.664 41.373 1.00 0.64 O HETATM 2166 O HOH 86 3.393 36.251 39.768 1.00 0.79 O HETATM 2167 O HOH 87 39.405 37.118 62.180 1.00 0.75 O HETATM 2168 O HOH 88 32.853 42.318 64.571 1.00 0.80 O HETATM 2169 O HOH 89 34.222 42.092 49.359 1.00 0.59 O HETATM 2170 O HOH 90 24.679 50.722 48.719 1.00 0.62 O HETATM 2171 O HOH 91 15.588 17.865 51.343 1.00 0.48 O HETATM 2172 O HOH 92 14.848 52.188 41.947 1.00 0.52 O HETATM 2173 O HOH 93 30.008 24.544 61.248 1.00 0.61 O HETATM 2174 O HOH 94 23.575 21.551 59.445 1.00 0.68 O HETATM 2175 O HOH 95 27.112 52.054 48.403 1.00 0.60 O HETATM 2176 O HOH 96 9.123 34.058 56.568 1.00 0.67 O HETATM 2177 O HOH 97 6.799 42.972 49.497 1.00 0.84 O HETATM 2178 O HOH 98 24.104 22.164 44.301 1.00 0.83 O HETATM 2179 O HOH 99 18.440 21.876 44.722 1.00 0.73 O HETATM 2180 O HOH 100 8.644 31.407 57.683 1.00 0.67 O HETATM 2181 O HOH 101 28.003 48.784 57.256 1.00 0.81 O HETATM 2182 O HOH 102 13.482 48.450 44.923 1.00 0.85 O HETATM 2183 O HOH 103 24.116 48.289 33.875 1.00 0.81 O HETATM 2184 O HOH 104 30.153 46.132 35.817 1.00 0.66 O HETATM 2185 O HOH 105 30.705 43.832 37.375 1.00 0.72 O HETATM 2186 O HOH 106 25.351 21.797 50.616 1.00 0.66 O HETATM 2187 O HOH 107 9.236 22.220 50.620 1.00 0.87 O HETATM 2188 O HOH 108 26.369 28.077 72.780 1.00 0.63 O HETATM 2189 O HOH 109 38.023 48.683 51.801 1.00 0.77 O HETATM 2190 O HOH 110 35.810 24.801 51.998 1.00 0.67 O HETATM 2191 O HOH 111 14.394 43.047 60.564 1.00 0.69 O HETATM 2192 O HOH 112 22.304 30.792 33.882 1.00 0.79 O HETATM 2193 O HOH 113 13.348 34.464 33.919 1.00 0.76 O HETATM 2194 O HOH 114 17.412 27.822 34.319 1.00 0.79 O HETATM 2195 O HOH 115 21.538 32.137 71.493 1.00 0.73 O HETATM 2196 O HOH 116 39.994 36.885 48.726 1.00 0.92 O HETATM 2197 O HOH 117 7.083 38.417 52.217 1.00 0.86 O HETATM 2198 O HOH 118 21.181 45.849 58.967 1.00 0.83 O HETATM 2199 O HOH 119 32.446 38.375 63.282 1.00 0.83 O HETATM 2200 O HOH 120 27.820 39.593 64.573 1.00 0.75 O HETATM 2201 O HOH 121 34.567 31.455 51.102 1.00 0.83 O HETATM 2202 O HOH 122 33.639 32.593 43.736 1.00 0.83 O HETATM 2203 O HOH 123 34.861 35.549 45.040 1.00 0.82 O HETATM 2204 O HOH 124 35.553 32.292 39.573 1.00 0.80 O HETATM 2205 O HOH 125 26.864 17.325 54.614 1.00 0.79 O HETATM 2206 O HOH 126 6.839 40.777 45.322 1.00 0.75 O HETATM 2207 O HOH 127 11.918 27.792 68.488 1.00 0.80 O HETATM 2208 O HOH 128 27.859 55.250 55.726 1.00 1.05 O HETATM 2209 O HOH 129 25.543 24.056 45.998 1.00 0.63 O HETATM 2210 O HOH 130 14.175 25.152 56.679 1.00 0.94 O HETATM 2211 O HOH 131 20.187 20.852 47.240 1.00 0.73 O HETATM 2212 O HOH 132 8.305 41.320 59.293 1.00 0.78 O HETATM 2213 O HOH 133 9.475 32.723 63.140 1.00 0.93 O HETATM 2214 O HOH 134 7.902 37.772 54.845 1.00 0.73 O HETATM 2215 O HOH 135 6.238 43.059 52.834 1.00 0.91 O HETATM 2216 O HOH 136 24.077 21.137 62.605 1.00 0.74 O HETATM 2217 O HOH 137 24.045 32.550 72.201 1.00 0.88 O HETATM 2218 O HOH 138 8.720 29.273 50.974 1.00 0.84 O HETATM 2219 O HOH 139 26.993 36.811 31.646 1.00 0.81 O HETATM 2220 O HOH 140 22.897 17.588 52.008 1.00 0.90 O HETATM 2221 O HOH 141 19.396 37.204 66.288 1.00 0.73 O HETATM 2222 O HOH 142 35.671 38.419 41.650 1.00 1.14 O HETATM 2223 O HOH 143 29.532 53.666 44.881 1.00 0.76 O HETATM 2224 O HOH 144 20.800 36.850 33.810 1.00 0.75 O HETATM 2225 O HOH 145 18.090 34.012 30.189 1.00 0.79 O HETATM 2226 O HOH 146 11.981 22.894 53.198 1.00 0.74 O HETATM 2227 O HOH 147 19.553 38.377 29.952 1.00 0.90 O HETATM 2228 O HOH 148 16.041 18.878 46.976 1.00 0.87 O HETATM 2229 O HOH 149 25.307 23.745 42.043 1.00 0.78 O HETATM 2230 O HOH 150 34.084 45.409 57.258 1.00 0.82 O HETATM 2231 O HOH 151 23.086 20.292 47.275 1.00 0.76 O HETATM 2232 O HOH 152 37.983 31.578 52.711 1.00 0.78 O HETATM 2233 O HOH 153 23.133 40.244 31.452 1.00 0.88 O HETATM 2234 O HOH 154 33.513 32.951 62.203 1.00 0.88 O HETATM 2235 O HOH 155 33.647 27.372 45.925 1.00 0.83 O HETATM 2236 O HOH 156 32.508 54.061 47.679 1.00 0.84 O HETATM 2237 O HOH 157 7.040 28.604 40.392 1.00 0.83 O HETATM 2238 O HOH 158 11.634 28.137 65.973 1.00 0.74 O HETATM 2239 O HOH 159 38.095 50.111 42.091 1.00 0.83 O HETATM 2240 O HOH 160 8.181 40.773 38.622 1.00 0.91 O HETATM 2241 O HOH 161 35.334 51.256 44.881 1.00 0.75 O HETATM 2242 O HOH 162 28.385 27.444 43.504 1.00 0.83 O HETATM 2243 O HOH 163 23.893 36.118 32.268 1.00 0.88 O HETATM 2244 O HOH 164 22.834 34.219 34.020 1.00 0.69 O HETATM 2245 O HOH 165 36.976 49.289 45.623 1.00 0.94 O HETATM 2246 O HOH 166 14.383 30.562 33.144 1.00 1.01 O HETATM 2247 O HOH 167 8.227 22.615 44.572 1.00 0.81 O HETATM 2248 O HOH 168 30.938 40.746 64.135 1.00 1.01 O HETATM 2249 O HOH 169 36.896 44.495 58.737 1.00 0.79 O HETATM 2250 O HOH 170 39.278 29.337 54.263 1.00 0.99 O HETATM 2251 O HOH 171 16.133 20.945 45.553 1.00 0.97 O HETATM 2252 O HOH 172 9.424 43.230 40.894 1.00 0.84 O HETATM 2253 O HOH 173 30.199 54.020 41.997 1.00 0.90 O HETATM 2254 O HOH 174 21.756 21.768 43.269 1.00 0.90 O HETATM 2255 O HOH 175 35.732 28.229 61.321 1.00 1.14 O HETATM 2256 O HOH 176 38.822 39.674 46.184 1.00 0.80 O HETATM 2257 O HOH 177 32.523 23.924 59.875 1.00 0.78 O HETATM 2258 O HOH 178 25.285 30.736 74.117 1.00 0.85 O HETATM 2259 O HOH 179 38.560 37.042 46.816 1.00 0.87 O HETATM 2260 O HOH 180 21.304 46.162 35.019 1.00 0.90 O HETATM 2261 O HOH 181 27.758 54.487 43.206 1.00 0.87 O HETATM 2262 O HOH 182 33.364 48.160 57.383 1.00 1.00 O HETATM 2263 O HOH 183 12.358 19.042 34.633 1.00 1.03 O HETATM 2264 O HOH 184 4.212 30.269 48.563 1.00 0.90 O HETATM 2265 O HOH 185 12.064 24.660 74.234 1.00 0.99 O HETATM 2266 O HOH 186 8.646 44.211 45.496 1.00 0.85 O HETATM 2267 O HOH 187 6.068 24.951 43.765 1.00 1.11 O HETATM 2268 O HOH 188 6.436 39.187 48.337 1.00 0.86 O HETATM 2269 O HOH 189 27.930 19.191 53.158 1.00 1.01 O HETATM 2270 O HOH 190 34.055 30.990 46.102 1.00 1.04 O HETATM 2271 O HOH 191 37.933 52.674 41.722 1.00 0.87 O HETATM 2272 O HOH 192 37.035 41.114 44.341 1.00 0.85 O HETATM 2273 O HOH 193 21.113 42.687 30.758 1.00 0.92 O HETATM 2274 O HOH 194 32.188 30.012 69.039 1.00 0.93 O HETATM 2275 O HOH 195 5.892 42.908 43.036 1.00 0.91 O HETATM 2276 O HOH 196 36.294 29.657 52.193 1.00 0.90 O HETATM 2277 O HOH 197 35.411 43.819 47.752 1.00 0.82 O HETATM 2278 O HOH 198 31.897 35.278 67.238 1.00 0.86 O HETATM 2279 O HOH 199 38.730 46.945 54.849 1.00 0.94 O HETATM 2280 O HOH 200 25.959 34.951 71.335 1.00 0.96 O HETATM 2281 O HOH 201 28.271 22.796 46.912 1.00 0.98 O HETATM 2282 O HOH 202 21.795 28.695 32.125 1.00 1.00 O HETATM 2283 O HOH 203 23.871 18.546 49.805 1.00 0.90 O HETATM 2284 O HOH 204 36.151 34.043 46.682 1.00 1.12 O HETATM 2285 O HOH 205 18.575 29.032 31.233 1.00 0.85 O HETATM 2286 O HOH 206 31.599 30.835 41.948 1.00 0.89 O HETATM 2287 O HOH 207 30.819 53.952 50.211 1.00 0.88 O HETATM 2288 O HOH 208 36.046 26.171 49.284 1.00 0.95 O HETATM 2289 O HOH 209 8.115 47.457 44.027 1.00 1.00 O HETATM 2290 O HOH 210 13.466 24.495 54.411 1.00 0.97 O HETATM 2291 O HOH 211 28.124 47.551 61.586 1.00 1.02 O HETATM 2292 O HOH 212 31.217 23.633 47.531 1.00 1.00 O HETATM 2293 O HOH 213 33.846 30.345 63.433 1.00 0.99 O HETATM 2294 O HOH 214 26.510 41.434 68.172 1.00 0.94 O HETATM 2295 O HOH 215 11.842 21.914 34.984 1.00 0.93 O HETATM 2296 O HOH 216 22.890 28.296 34.601 1.00 0.87 O HETATM 2297 O HOH 217 39.603 34.026 55.176 1.00 0.95 O HETATM 2298 O HOH 218 16.849 30.999 32.678 1.00 0.99 O HETATM 2299 O HOH 219 27.102 20.230 49.875 1.00 0.91 O HETATM 2300 O HOH 220 22.276 37.476 70.996 1.00 1.01 O HETATM 2301 O HOH 221 37.310 53.072 44.272 1.00 1.05 O HETATM 2302 CA ELA A 222 19.652 33.303 53.645 1.00 0.00 C HETATM 2303 C3 ELA A 222 20.814 34.257 53.801 1.00 -0.04 C HETATM 2304 C4 ELA A 222 21.648 34.175 54.991 1.00 -0.05 C HETATM 2305 C5 ELA A 222 22.752 35.168 55.102 1.00 -0.05 C HETATM 2306 C6 ELA A 222 23.158 35.522 56.527 1.00 -0.05 C HETATM 2307 C7 ELA A 222 23.706 34.429 57.355 1.00 -0.05 C HETATM 2308 C8 ELA A 222 23.362 34.637 58.859 1.00 -0.05 C HETATM 2309 C9 ELA A 222 21.969 34.374 59.172 1.00 -0.05 C HETATM 2310 C10 ELA A 222 21.512 34.691 60.494 1.00 -0.05 C HETATM 2311 C11 ELA A 222 20.035 34.538 60.650 1.00 -0.05 C HETATM 2312 C12 ELA A 222 19.244 34.874 59.423 1.00 -0.05 C HETATM 2313 C13 ELA A 222 17.914 34.215 59.361 1.00 -0.05 C HETATM 2314 C14 ELA A 222 17.185 34.375 58.075 1.00 -0.05 C HETATM 2315 C15 ELA A 222 17.093 35.770 57.595 1.00 -0.05 C HETATM 2316 C16 ELA A 222 16.222 35.909 56.353 1.00 -0.05 C HETATM 2317 C17 ELA A 222 15.969 37.387 56.092 1.00 -0.06 C HETATM 2318 C18 ELA A 222 17.145 38.191 56.544 1.00 -0.07 C HETATM 2319 H33 ELA A 222 16.955 39.258 56.352 1.00 0.02 H HETATM 2320 H34 ELA A 222 18.041 37.873 55.991 1.00 0.02 H HETATM 2321 H35 ELA A 222 17.304 38.035 57.621 1.00 0.02 H HETATM 2322 H31 ELA A 222 15.074 37.707 56.645 1.00 0.03 H HETATM 2323 H32 ELA A 222 15.811 37.545 55.015 1.00 0.03 H HETATM 2324 H29 ELA A 222 15.264 35.393 56.514 1.00 0.03 H HETATM 2325 H30 ELA A 222 16.737 35.464 55.489 1.00 0.03 H HETATM 2326 H27 ELA A 222 18.106 36.127 57.356 1.00 0.03 H HETATM 2327 H28 ELA A 222 16.665 36.390 58.396 1.00 0.03 H HETATM 2328 H25 ELA A 222 16.164 33.989 58.208 1.00 0.03 H HETATM 2329 H26 ELA A 222 17.705 33.781 57.309 1.00 0.03 H HETATM 2330 H23 ELA A 222 17.288 34.637 60.161 1.00 0.03 H HETATM 2331 H24 ELA A 222 18.059 33.139 59.538 1.00 0.03 H HETATM 2332 H21 ELA A 222 19.825 34.564 58.542 1.00 0.03 H HETATM 2333 H22 ELA A 222 19.092 35.963 59.397 1.00 0.03 H HETATM 2334 H19 ELA A 222 19.705 35.200 61.464 1.00 0.03 H HETATM 2335 H20 ELA A 222 19.824 33.493 60.919 1.00 0.03 H HETATM 2336 H17 ELA A 222 21.783 35.733 60.718 1.00 0.03 H HETATM 2337 H18 ELA A 222 22.012 34.020 61.209 1.00 0.03 H HETATM 2338 H15 ELA A 222 21.793 33.300 59.012 1.00 0.03 H HETATM 2339 H16 ELA A 222 21.358 34.955 58.465 1.00 0.03 H HETATM 2340 H13 ELA A 222 23.589 35.679 59.128 1.00 0.03 H HETATM 2341 H14 ELA A 222 23.988 33.959 59.457 1.00 0.03 H HETATM 2342 H11 ELA A 222 24.799 34.403 57.237 1.00 0.03 H HETATM 2343 H12 ELA A 222 23.278 33.474 57.018 1.00 0.03 H HETATM 2344 H9 ELA A 222 22.267 35.913 57.040 1.00 0.03 H HETATM 2345 H10 ELA A 222 23.923 36.311 56.469 1.00 0.03 H HETATM 2346 H7 ELA A 222 22.432 36.092 54.599 1.00 0.03 H HETATM 2347 H8 ELA A 222 23.634 34.757 54.588 1.00 0.03 H HETATM 2348 H5 ELA A 222 22.098 33.172 55.014 1.00 0.03 H HETATM 2349 H6 ELA A 222 20.994 34.304 55.866 1.00 0.03 H HETATM 2350 H3 ELA A 222 20.400 35.275 53.769 1.00 0.03 H HETATM 2351 H4 ELA A 222 21.474 34.103 52.935 1.00 0.03 H HETATM 2352 C ELA A 222 18.922 33.306 52.373 1.00 0.03 C HETATM 2353 OXT ELA A 222 18.247 32.316 52.183 1.00 -0.57 O HETATM 2354 O ELA A 222 19.011 34.339 51.731 1.00 -0.57 O HETATM 2355 H1 ELA A 222 18.927 33.539 54.438 1.00 0.04 H HETATM 2356 H2 ELA A 222 20.042 32.286 53.795 1.00 0.04 H CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 2302 2303 2352 2355 2356 CONECT 2303 2302 2304 2350 2351 CONECT 2304 2303 2305 2348 2349 CONECT 2305 2304 2306 2346 2347 CONECT 2306 2305 2307 2344 2345 CONECT 2307 2306 2308 2342 2343 CONECT 2308 2307 2309 2340 2341 CONECT 2309 2308 2310 2338 2339 CONECT 2310 2309 2311 2336 2337 CONECT 2311 2310 2312 2334 2335 CONECT 2312 2311 2313 2332 2333 CONECT 2313 2312 2314 2330 2331 CONECT 2314 2313 2315 2328 2329 CONECT 2315 2314 2316 2326 2327 CONECT 2316 2315 2317 2324 2325 CONECT 2317 2316 2318 2322 2323 CONECT 2318 2317 2319 2320 2321 CONECT 2319 2318 CONECT 2320 2318 CONECT 2321 2318 CONECT 2322 2317 CONECT 2323 2317 CONECT 2324 2316 CONECT 2325 2316 CONECT 2326 2315 CONECT 2327 2315 CONECT 2328 2314 CONECT 2329 2314 CONECT 2330 2313 CONECT 2331 2313 CONECT 2332 2312 CONECT 2333 2312 CONECT 2334 2311 CONECT 2335 2311 CONECT 2336 2310 CONECT 2337 2310 CONECT 2338 2309 CONECT 2339 2309 CONECT 2340 2308 CONECT 2341 2308 CONECT 2342 2307 CONECT 2343 2307 CONECT 2344 2306 CONECT 2345 2306 CONECT 2346 2305 CONECT 2347 2305 CONECT 2348 2304 CONECT 2349 2304 CONECT 2350 2303 CONECT 2351 2303 CONECT 2352 2302 2353 2354 CONECT 2353 2352 CONECT 2354 2352 CONECT 2355 2302 CONECT 2356 2302 MASTER 0 0 0 0 0 0 0 0 2355 1 59 11 END
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Related entries of code: 1hmr
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
133aa, >4TJZ_1|Chain... at 100%
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RCSB PDB
PDBbind
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4tkh
RCSB PDB
PDBbind
133aa, >4TKH_1|Chain... at 100%
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1hmr
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
fatty acid-binding protein
Ligand Name
ELA
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=0.28uM
Release Year
1995
Protein/NA Sequence
Check fasta file
Primary Reference
Structure v2 pp. 523-34, 1994
Ligand Properties
Formula
C
1
8
H
3
6
O
2
Molecular Weight
284.477
Exact Mass
284.272
No. of atoms
56
No. of bonds
55
Polar Surface Area
37.3
LOGP Value
9.64 (
Computed with XLOGP3
)
6.33 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)O
InChI String
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
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):
P05413
Entrez Gene ID
NCBI Entrez Gene ID:
2170
ASD
Information of known allosteric effects of PDB entries
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