NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
536576 | 2lhy | 17871 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 H1 ACE 1 -42.814-101.834 -52.991 2 H2 ACE 1 H2 ACE 1 -44.304-101.033 -53.491 3 H3 ACE 1 H3 ACE 1 -44.330-102.198 -52.167 4 HA PRO 2 HA PRO 2 -43.848 -97.962 -50.343 5 HB2 PRO 2 HB2 PRO 2 -46.056 -98.558 -48.589 6 HB3 PRO 2 HB3 PRO 2 -45.982 -97.358 -49.888 7 HG2 PRO 2 HG2 PRO 2 -47.530 -99.645 -49.900 8 HG3 PRO 2 HG3 PRO 2 -47.087 -98.690 -51.323 9 HD2 PRO 2 HD2 PRO 2 -45.962-101.283 -50.372 10 HD3 PRO 2 HD3 PRO 2 -46.108-100.652 -52.028 11 H THR 3 H THR 3 -41.993 -98.345 -49.186 12 HA THR 3 HA THR 3 -42.064-100.204 -46.921 13 HB THR 3 HB THR 3 -39.612 -99.760 -46.823 14 HG21 THR 3 HG21 THR 3 -39.071-100.862 -48.968 15 HG22 THR 3 HG22 THR 3 -40.689-100.488 -49.563 16 HG23 THR 3 HG23 THR 3 -40.482-101.601 -48.210 17 H THR 4 H THR 4 -40.073 -98.922 -45.368 18 HA THR 4 HA THR 4 -41.161 -96.323 -44.606 19 HB THR 4 HB THR 4 -42.482 -98.165 -43.412 20 HG1 THR 4 HG1 THR 4 -42.758 -96.680 -41.966 21 HG21 THR 4 HG21 THR 4 -41.455 -99.536 -41.878 22 HG22 THR 4 HG22 THR 4 -40.185 -98.364 -41.525 23 HG23 THR 4 HG23 THR 4 -40.107 -99.332 -42.998 24 H THR 5 H THR 5 -39.900 -95.514 -42.594 25 HA THR 5 HA THR 5 -37.082 -95.770 -43.231 26 HB THR 5 HB THR 5 -37.198 -94.160 -41.016 27 HG21 THR 5 HG21 THR 5 -36.142 -93.621 -43.176 28 HG22 THR 5 HG22 THR 5 -37.172 -92.294 -42.638 29 HG23 THR 5 HG23 THR 5 -37.733 -93.391 -43.901 30 HA PRO 6 HA PRO 6 -35.945 -98.467 -39.955 31 HB2 PRO 6 HB2 PRO 6 -33.590 -97.000 -39.174 32 HB3 PRO 6 HB3 PRO 6 -33.698 -98.419 -40.226 33 HG2 PRO 6 HG2 PRO 6 -32.996 -95.873 -41.032 34 HG3 PRO 6 HG3 PRO 6 -33.549 -97.176 -42.093 35 HD2 PRO 6 HD2 PRO 6 -35.050 -94.804 -41.087 36 HD3 PRO 6 HD3 PRO 6 -35.242 -95.703 -42.609 37 H LEU 7 H LEU 7 -36.710 -98.700 -37.936 38 HA LEU 7 HA LEU 7 -37.685 -96.589 -36.371 39 HB2 LEU 7 HB2 LEU 7 -37.071 -99.476 -35.843 40 HB3 LEU 7 HB3 LEU 7 -37.507 -98.419 -34.500 41 HG LEU 7 HG LEU 7 -39.199 -98.304 -36.958 42 HD11 LEU 7 HD11 LEU 7 -40.561-100.211 -36.070 43 HD12 LEU 7 HD12 LEU 7 -39.269-100.547 -34.918 44 HD13 LEU 7 HD13 LEU 7 -38.971-100.708 -36.648 45 HD21 LEU 7 HD21 LEU 7 -39.893 -98.323 -34.006 46 HD22 LEU 7 HD22 LEU 7 -40.925 -97.805 -35.339 47 HD23 LEU 7 HD23 LEU 7 -39.502 -96.857 -34.905 48 H LYS 8 H LYS 8 -36.755 -95.220 -34.981 49 HA LYS 8 HA LYS 8 -33.910 -95.162 -34.680 50 HB2 LYS 8 HB2 LYS 8 -35.468 -93.154 -34.704 51 HB3 LYS 8 HB3 LYS 8 -35.921 -93.597 -33.058 52 HG2 LYS 8 HG2 LYS 8 -33.572 -93.440 -32.350 53 HG3 LYS 8 HG3 LYS 8 -33.094 -93.031 -33.998 54 HD2 LYS 8 HD2 LYS 8 -35.228 -91.378 -32.715 55 HD3 LYS 8 HD3 LYS 8 -33.563 -91.132 -32.186 56 HE2 LYS 8 HE2 LYS 8 -34.173 -91.239 -35.124 57 HE3 LYS 8 HE3 LYS 8 -34.493 -89.755 -34.225 58 HZ1 LYS 8 HZ1 LYS 8 -32.334 -89.310 -34.078 59 HZ2 LYS 8 HZ2 LYS 8 -32.093 -90.507 -35.259 60 HZ3 LYS 8 HZ3 LYS 8 -31.939 -90.892 -33.612 61 HN1 NH2 9 HN1 NH2 9 -35.466 -97.474 -31.956 62 HN2 NH2 9 HN2 NH2 9 -36.532 -96.200 -32.304 63 H1 A2G 10 H1 A2G 10 -38.779 -97.917 -46.565 64 H2 A2G 10 H2 A2G 10 -37.778 -95.837 -47.407 65 HN2 A2G 10 HN2 A2G 10 -40.665 -95.933 -48.058 66 H3 A2G 10 H3 A2G 10 -39.162 -96.519 -50.015 67 HO3 A2G 10 HO3 A2G 10 -37.382 -94.661 -50.316 68 H4 A2G 10 H4 A2G 10 -36.934 -96.866 -50.921 69 HO4 A2G 10 HO4 A2G 10 -35.274 -96.972 -49.073 70 H5 A2G 10 H5 A2G 10 -37.996 -98.826 -49.892 71 H6 A2G 10 H6 A2G 10 -35.278 -98.512 -50.383 72 H8 A2G 10 H8 A2G 10 -41.200 -93.438 -45.554 73 H8A A2G 10 H8A A2G 10 -41.988 -94.883 -46.189 74 H8B A2G 10 H8B A2G 10 -41.563 -93.561 -47.276 75 H14 A2G 10 H14 A2G 10 -35.318 -99.243 -48.779 76 H15 A2G 10 H15 A2G 10 -35.476-100.965 -50.038 77 H1 A2G 11 H1 A2G 11 -38.455 -92.975 -39.942 78 H2 A2G 11 H2 A2G 11 -40.667 -92.099 -39.325 79 HN2 A2G 11 HN2 A2G 11 -40.836 -94.961 -40.065 80 H3 A2G 11 H3 A2G 11 -41.618 -93.379 -41.902 81 HO3 A2G 11 HO3 A2G 11 -43.572 -92.666 -41.271 82 H4 A2G 11 H4 A2G 11 -41.972 -91.113 -42.708 83 HO4 A2G 11 HO4 A2G 11 -41.339 -89.362 -41.426 84 H5 A2G 11 H5 A2G 11 -39.743 -92.063 -43.107 85 H6 A2G 11 H6 A2G 11 -39.685 -89.146 -42.265 86 H8 A2G 11 H8 A2G 11 -42.196 -96.062 -37.862 87 H8A A2G 11 H8A A2G 11 -40.993 -95.750 -36.610 88 H8B A2G 11 H8B A2G 11 -40.489 -96.373 -38.181 89 H14 A2G 11 H14 A2G 11 -38.454 -89.926 -43.258 90 H15 A2G 11 H15 A2G 11 -40.530 -88.781 -44.165 Start of MODEL 2 1 H1 ACE 1 H1 ACE 1 -43.483-101.948 -53.001 2 H2 ACE 1 H2 ACE 1 -44.936-101.019 -53.366 3 H3 ACE 1 H3 ACE 1 -44.937-102.168 -52.028 4 HA PRO 2 HA PRO 2 -43.902 -97.979 -50.328 5 HB2 PRO 2 HB2 PRO 2 -45.967 -98.364 -48.354 6 HB3 PRO 2 HB3 PRO 2 -45.914 -97.182 -49.669 7 HG2 PRO 2 HG2 PRO 2 -47.657 -99.317 -49.501 8 HG3 PRO 2 HG3 PRO 2 -47.270 -98.414 -50.973 9 HD2 PRO 2 HD2 PRO 2 -46.297-101.094 -50.099 10 HD3 PRO 2 HD3 PRO 2 -46.547-100.461 -51.742 11 H THR 3 H THR 3 -42.046 -98.294 -49.228 12 HA THR 3 HA THR 3 -41.928-100.270 -47.068 13 HB THR 3 HB THR 3 -39.488 -99.742 -47.087 14 HG21 THR 3 HG21 THR 3 -40.109-101.568 -48.472 15 HG22 THR 3 HG22 THR 3 -39.126-100.534 -49.510 16 HG23 THR 3 HG23 THR 3 -40.884-100.511 -49.652 17 H THR 4 H THR 4 -39.968 -99.088 -45.490 18 HA THR 4 HA THR 4 -40.987 -96.514 -44.575 19 HB THR 4 HB THR 4 -42.386 -98.303 -43.465 20 HG1 THR 4 HG1 THR 4 -41.379 -97.385 -41.263 21 HG21 THR 4 HG21 THR 4 -41.450 -99.915 -42.124 22 HG22 THR 4 HG22 THR 4 -40.082 -98.896 -41.676 23 HG23 THR 4 HG23 THR 4 -40.104 -99.702 -43.244 24 H THR 5 H THR 5 -39.643 -95.632 -42.769 25 HA THR 5 HA THR 5 -36.847 -96.183 -43.318 26 HB THR 5 HB THR 5 -36.681 -94.318 -41.437 27 HG21 THR 5 HG21 THR 5 -36.880 -92.625 -43.154 28 HG22 THR 5 HG22 THR 5 -37.898 -93.677 -44.138 29 HG23 THR 5 HG23 THR 5 -36.200 -94.070 -43.895 30 HA PRO 6 HA PRO 6 -36.071 -98.770 -39.848 31 HB2 PRO 6 HB2 PRO 6 -33.613 -97.511 -39.039 32 HB3 PRO 6 HB3 PRO 6 -33.829 -98.989 -39.985 33 HG2 PRO 6 HG2 PRO 6 -32.841 -96.555 -40.913 34 HG3 PRO 6 HG3 PRO 6 -33.359 -97.929 -41.898 35 HD2 PRO 6 HD2 PRO 6 -34.736 -95.364 -41.408 36 HD3 PRO 6 HD3 PRO 6 -34.961 -96.538 -42.727 37 H LEU 7 H LEU 7 -36.634 -98.871 -37.738 38 HA LEU 7 HA LEU 7 -37.694 -96.654 -36.392 39 HB2 LEU 7 HB2 LEU 7 -37.393 -99.467 -35.899 40 HB3 LEU 7 HB3 LEU 7 -36.969 -98.568 -34.442 41 HG LEU 7 HG LEU 7 -39.501 -98.117 -36.043 42 HD11 LEU 7 HD11 LEU 7 -39.415-100.362 -34.953 43 HD12 LEU 7 HD12 LEU 7 -40.648 -99.315 -34.251 44 HD13 LEU 7 HD13 LEU 7 -39.121 -99.566 -33.407 45 HD21 LEU 7 HD21 LEU 7 -39.765 -96.299 -34.737 46 HD22 LEU 7 HD22 LEU 7 -38.156 -96.576 -34.072 47 HD23 LEU 7 HD23 LEU 7 -39.567 -97.285 -33.288 48 H LYS 8 H LYS 8 -36.809 -95.084 -35.191 49 HA LYS 8 HA LYS 8 -33.965 -94.891 -34.928 50 HB2 LYS 8 HB2 LYS 8 -35.664 -93.152 -33.238 51 HB3 LYS 8 HB3 LYS 8 -34.351 -92.727 -34.337 52 HG2 LYS 8 HG2 LYS 8 -35.974 -93.390 -36.233 53 HG3 LYS 8 HG3 LYS 8 -37.237 -93.298 -35.005 54 HD2 LYS 8 HD2 LYS 8 -35.350 -91.074 -35.831 55 HD3 LYS 8 HD3 LYS 8 -37.089 -91.144 -36.118 56 HE2 LYS 8 HE2 LYS 8 -36.958 -89.790 -34.210 57 HE3 LYS 8 HE3 LYS 8 -37.249 -91.386 -33.517 58 HZ1 LYS 8 HZ1 LYS 8 -34.469 -90.776 -33.984 59 HZ2 LYS 8 HZ2 LYS 8 -35.220 -91.452 -32.619 60 HZ3 LYS 8 HZ3 LYS 8 -35.211 -89.768 -32.841 61 HN1 NH2 9 HN1 NH2 9 -33.272 -95.893 -31.636 62 HN2 NH2 9 HN2 NH2 9 -32.788 -94.763 -32.808 63 H1 A2G 10 H1 A2G 10 -38.775 -97.872 -46.741 64 H2 A2G 10 H2 A2G 10 -37.981 -95.661 -47.461 65 HN2 A2G 10 HN2 A2G 10 -40.873 -95.998 -48.002 66 H3 A2G 10 H3 A2G 10 -39.390 -96.280 -50.071 67 HO3 A2G 10 HO3 A2G 10 -39.182 -94.231 -50.379 68 H4 A2G 10 H4 A2G 10 -37.173 -96.372 -51.062 69 HO4 A2G 10 HO4 A2G 10 -35.721 -96.462 -48.795 70 H5 A2G 10 H5 A2G 10 -38.031 -98.481 -50.144 71 H6 A2G 10 H6 A2G 10 -35.438 -97.981 -50.804 72 H8 A2G 10 H8 A2G 10 -41.507 -93.533 -45.489 73 H8A A2G 10 H8A A2G 10 -42.150 -95.117 -45.920 74 H8B A2G 10 H8B A2G 10 -42.017 -93.856 -47.146 75 H14 A2G 10 H14 A2G 10 -35.234 -98.597 -49.164 76 H15 A2G 10 H15 A2G 10 -35.897 -99.912 -51.438 77 H1 A2G 11 H1 A2G 11 -37.834 -93.524 -39.923 78 H2 A2G 11 H2 A2G 11 -39.832 -92.392 -39.058 79 HN2 A2G 11 HN2 A2G 11 -40.528 -95.055 -40.152 80 H3 A2G 11 H3 A2G 11 -41.107 -93.124 -41.708 81 HO3 A2G 11 HO3 A2G 11 -42.328 -92.976 -39.630 82 H4 A2G 11 H4 A2G 11 -41.091 -90.743 -42.194 83 HO4 A2G 11 HO4 A2G 11 -40.642 -89.315 -40.712 84 H5 A2G 11 H5 A2G 11 -39.085 -91.996 -42.861 85 H6 A2G 11 H6 A2G 11 -38.471 -89.273 -41.667 86 H8 A2G 11 H8 A2G 11 -42.128 -96.029 -37.930 87 H8A A2G 11 H8A A2G 11 -40.745 -96.308 -36.871 88 H8B A2G 11 H8B A2G 11 -40.651 -96.741 -38.578 89 H14 A2G 11 H14 A2G 11 -37.451 -90.108 -42.840 90 H15 A2G 11 H15 A2G 11 -40.106 -89.188 -43.178 Start of MODEL 3 1 H1 ACE 1 H1 ACE 1 -46.059-100.704 -53.004 2 H2 ACE 1 H2 ACE 1 -46.539-101.045 -51.341 3 H3 ACE 1 H3 ACE 1 -45.582-102.222 -52.243 4 HA PRO 2 HA PRO 2 -42.605 -98.591 -51.227 5 HB2 PRO 2 HB2 PRO 2 -43.882 -96.790 -49.374 6 HB3 PRO 2 HB3 PRO 2 -43.341 -96.459 -51.027 7 HG2 PRO 2 HG2 PRO 2 -45.970 -96.548 -50.184 8 HG3 PRO 2 HG3 PRO 2 -45.419 -96.676 -51.860 9 HD2 PRO 2 HD2 PRO 2 -46.343 -98.828 -50.013 10 HD3 PRO 2 HD3 PRO 2 -46.459 -98.729 -51.786 11 H THR 3 H THR 3 -41.873 -97.439 -48.855 12 HA THR 3 HA THR 3 -42.354 -99.373 -46.710 13 HB THR 3 HB THR 3 -39.944 -99.733 -46.350 14 HG21 THR 3 HG21 THR 3 -40.587-100.337 -49.242 15 HG22 THR 3 HG22 THR 3 -41.357-101.199 -47.911 16 HG23 THR 3 HG23 THR 3 -39.609-101.288 -48.125 17 H THR 4 H THR 4 -41.537 -98.636 -44.634 18 HA THR 4 HA THR 4 -41.722 -95.731 -44.414 19 HB THR 4 HB THR 4 -43.067 -97.048 -42.878 20 HG1 THR 4 HG1 THR 4 -40.947 -96.172 -41.275 21 HG21 THR 4 HG21 THR 4 -42.292 -99.037 -42.179 22 HG22 THR 4 HG22 THR 4 -41.139 -98.185 -41.152 23 HG23 THR 4 HG23 THR 4 -40.680 -98.658 -42.787 24 H THR 5 H THR 5 -40.270 -95.285 -42.105 25 HA THR 5 HA THR 5 -37.580 -95.166 -43.179 26 HB THR 5 HB THR 5 -37.408 -94.163 -40.633 27 HG21 THR 5 HG21 THR 5 -36.720 -93.037 -42.716 28 HG22 THR 5 HG22 THR 5 -37.696 -91.961 -41.715 29 HG23 THR 5 HG23 THR 5 -38.413 -92.749 -43.121 30 HA PRO 6 HA PRO 6 -35.845 -98.496 -40.903 31 HB2 PRO 6 HB2 PRO 6 -33.443 -97.101 -40.134 32 HB3 PRO 6 HB3 PRO 6 -33.675 -98.223 -41.485 33 HG2 PRO 6 HG2 PRO 6 -33.195 -95.512 -41.711 34 HG3 PRO 6 HG3 PRO 6 -33.870 -96.550 -42.975 35 HD2 PRO 6 HD2 PRO 6 -35.264 -94.613 -41.188 36 HD3 PRO 6 HD3 PRO 6 -35.671 -95.122 -42.843 37 H LEU 7 H LEU 7 -37.647 -97.671 -39.230 38 HA LEU 7 HA LEU 7 -38.043 -96.719 -37.050 39 HB2 LEU 7 HB2 LEU 7 -38.481 -99.061 -36.937 40 HB3 LEU 7 HB3 LEU 7 -36.760 -99.449 -36.902 41 HG LEU 7 HG LEU 7 -36.506 -98.511 -34.707 42 HD11 LEU 7 HD11 LEU 7 -37.804 -96.543 -34.738 43 HD12 LEU 7 HD12 LEU 7 -38.659 -97.577 -33.593 44 HD13 LEU 7 HD13 LEU 7 -39.258 -97.404 -35.243 45 HD21 LEU 7 HD21 LEU 7 -37.944 -99.947 -33.410 46 HD22 LEU 7 HD22 LEU 7 -37.611-100.786 -34.925 47 HD23 LEU 7 HD23 LEU 7 -39.159 -99.976 -34.688 48 H LYS 8 H LYS 8 -36.853 -94.954 -36.469 49 HA LYS 8 HA LYS 8 -34.038 -95.043 -35.964 50 HB2 LYS 8 HB2 LYS 8 -36.112 -92.979 -35.184 51 HB3 LYS 8 HB3 LYS 8 -34.365 -92.756 -35.086 52 HG2 LYS 8 HG2 LYS 8 -34.394 -92.068 -37.229 53 HG3 LYS 8 HG3 LYS 8 -34.867 -93.702 -37.695 54 HD2 LYS 8 HD2 LYS 8 -36.591 -92.364 -38.585 55 HD3 LYS 8 HD3 LYS 8 -37.272 -92.954 -37.068 56 HE2 LYS 8 HE2 LYS 8 -36.322 -90.211 -37.778 57 HE3 LYS 8 HE3 LYS 8 -37.730 -90.701 -36.835 58 HZ1 LYS 8 HZ1 LYS 8 -35.872 -89.682 -35.536 59 HZ2 LYS 8 HZ2 LYS 8 -34.944 -91.060 -35.889 60 HZ3 LYS 8 HZ3 LYS 8 -36.376 -91.204 -34.986 61 HN1 NH2 9 HN1 NH2 9 -34.162 -96.459 -32.732 62 HN2 NH2 9 HN2 NH2 9 -34.062 -96.924 -34.362 63 H1 A2G 10 H1 A2G 10 -38.461 -98.429 -46.105 64 H2 A2G 10 H2 A2G 10 -36.756 -96.829 -46.863 65 HN2 A2G 10 HN2 A2G 10 -39.482 -95.948 -47.616 66 H3 A2G 10 H3 A2G 10 -38.155 -96.990 -49.547 67 HO3 A2G 10 HO3 A2G 10 -35.907 -95.576 -48.563 68 H4 A2G 10 H4 A2G 10 -36.143 -98.093 -50.348 69 HO4 A2G 10 HO4 A2G 10 -35.208 -98.192 -47.694 70 H5 A2G 10 H5 A2G 10 -37.873 -99.558 -49.405 71 H6 A2G 10 H6 A2G 10 -35.289-100.265 -49.880 72 H8 A2G 10 H8 A2G 10 -39.119 -93.246 -45.300 73 H8A A2G 10 H8A A2G 10 -40.359 -94.436 -45.696 74 H8B A2G 10 H8B A2G 10 -39.633 -93.460 -46.973 75 H14 A2G 10 H14 A2G 10 -35.448-100.774 -48.199 76 H15 A2G 10 H15 A2G 10 -37.314-101.940 -48.815 77 H1 A2G 11 H1 A2G 11 -38.593 -93.485 -39.074 78 H2 A2G 11 H2 A2G 11 -40.713 -92.765 -38.061 79 HN2 A2G 11 HN2 A2G 11 -41.037 -95.318 -39.527 80 H3 A2G 11 H3 A2G 11 -41.909 -93.278 -40.799 81 HO3 A2G 11 HO3 A2G 11 -43.084 -93.571 -38.674 82 H4 A2G 11 H4 A2G 11 -42.227 -90.872 -40.934 83 HO4 A2G 11 HO4 A2G 11 -41.617 -89.543 -39.297 84 H5 A2G 11 H5 A2G 11 -40.076 -91.722 -41.758 85 H6 A2G 11 H6 A2G 11 -39.845 -89.142 -40.174 86 H8 A2G 11 H8 A2G 11 -42.499 -96.805 -37.500 87 H8A A2G 11 H8A A2G 11 -41.096 -97.030 -36.455 88 H8B A2G 11 H8B A2G 11 -40.931 -97.206 -38.202 89 H14 A2G 11 H14 A2G 11 -38.709 -89.650 -41.424 90 H15 A2G 11 H15 A2G 11 -41.351 -88.783 -41.644 Start of MODEL 4 1 H1 ACE 1 H1 ACE 1 -42.365-103.470 -51.408 2 H2 ACE 1 H2 ACE 1 -43.956-102.893 -51.905 3 H3 ACE 1 H3 ACE 1 -43.764-103.731 -50.366 4 HA PRO 2 HA PRO 2 -43.467 -99.172 -49.569 5 HB2 PRO 2 HB2 PRO 2 -45.454 -99.487 -47.505 6 HB3 PRO 2 HB3 PRO 2 -45.593 -98.607 -49.034 7 HG2 PRO 2 HG2 PRO 2 -46.947-100.926 -48.386 8 HG3 PRO 2 HG3 PRO 2 -46.711-100.290 -50.021 9 HD2 PRO 2 HD2 PRO 2 -45.301-102.533 -48.653 10 HD3 PRO 2 HD3 PRO 2 -45.644-102.298 -50.382 11 H THR 3 H THR 3 -42.310 -98.216 -47.909 12 HA THR 3 HA THR 3 -41.875 -99.699 -45.423 13 HB THR 3 HB THR 3 -39.435 -99.566 -45.626 14 HG21 THR 3 HG21 THR 3 -40.725-101.549 -46.534 15 HG22 THR 3 HG22 THR 3 -39.134-101.309 -47.257 16 HG23 THR 3 HG23 THR 3 -40.585-100.817 -48.132 17 H THR 4 H THR 4 -40.882 -98.403 -43.757 18 HA THR 4 HA THR 4 -41.618 -95.590 -44.011 19 HB THR 4 HB THR 4 -40.440 -96.324 -41.468 20 HG1 THR 4 HG1 THR 4 -41.775 -97.971 -40.941 21 HG21 THR 4 HG21 THR 4 -42.514 -95.437 -40.632 22 HG22 THR 4 HG22 THR 4 -43.305 -95.669 -42.191 23 HG23 THR 4 HG23 THR 4 -42.045 -94.448 -42.014 24 H THR 5 H THR 5 -39.871 -94.456 -42.172 25 HA THR 5 HA THR 5 -37.524 -94.099 -43.835 26 HB THR 5 HB THR 5 -37.080 -92.614 -41.564 27 HG21 THR 5 HG21 THR 5 -38.789 -91.860 -43.954 28 HG22 THR 5 HG22 THR 5 -37.025 -91.835 -43.917 29 HG23 THR 5 HG23 THR 5 -37.945 -90.734 -42.891 30 HA PRO 6 HA PRO 6 -34.731 -96.581 -41.526 31 HB2 PRO 6 HB2 PRO 6 -32.568 -94.676 -41.541 32 HB3 PRO 6 HB3 PRO 6 -32.817 -96.059 -42.616 33 HG2 PRO 6 HG2 PRO 6 -32.962 -93.402 -43.358 34 HG3 PRO 6 HG3 PRO 6 -33.637 -94.765 -44.263 35 HD2 PRO 6 HD2 PRO 6 -35.032 -92.784 -42.525 36 HD3 PRO 6 HD3 PRO 6 -35.635 -93.665 -43.947 37 H LEU 7 H LEU 7 -35.938 -96.357 -39.497 38 HA LEU 7 HA LEU 7 -34.339 -95.651 -37.310 39 HB2 LEU 7 HB2 LEU 7 -34.577 -93.397 -37.359 40 HB3 LEU 7 HB3 LEU 7 -35.998 -93.470 -38.400 41 HG LEU 7 HG LEU 7 -37.346 -94.224 -36.437 42 HD11 LEU 7 HD11 LEU 7 -34.824 -94.694 -35.321 43 HD12 LEU 7 HD12 LEU 7 -36.372 -94.794 -34.482 44 HD13 LEU 7 HD13 LEU 7 -35.440 -93.297 -34.439 45 HD21 LEU 7 HD21 LEU 7 -37.428 -92.027 -35.346 46 HD22 LEU 7 HD22 LEU 7 -37.211 -91.824 -37.085 47 HD23 LEU 7 HD23 LEU 7 -35.838 -91.626 -35.997 48 H LYS 8 H LYS 8 -35.149 -96.548 -35.477 49 HA LYS 8 HA LYS 8 -37.941 -96.911 -34.987 50 HB2 LYS 8 HB2 LYS 8 -36.776 -98.831 -36.674 51 HB3 LYS 8 HB3 LYS 8 -36.891 -99.600 -35.090 52 HG2 LYS 8 HG2 LYS 8 -39.280 -98.904 -34.961 53 HG3 LYS 8 HG3 LYS 8 -39.149 -98.244 -36.592 54 HD2 LYS 8 HD2 LYS 8 -39.894-100.338 -37.165 55 HD3 LYS 8 HD3 LYS 8 -38.176-100.719 -37.045 56 HE2 LYS 8 HE2 LYS 8 -38.502-101.395 -34.683 57 HE3 LYS 8 HE3 LYS 8 -40.225-101.053 -34.835 58 HZ1 LYS 8 HZ1 LYS 8 -40.383-102.712 -36.566 59 HZ2 LYS 8 HZ2 LYS 8 -39.728-103.404 -35.159 60 HZ3 LYS 8 HZ3 LYS 8 -38.718-103.021 -36.469 61 HN1 NH2 9 HN1 NH2 9 -37.879 -96.556 -32.772 62 HN2 NH2 9 HN2 NH2 9 -36.754 -97.251 -31.708 63 H1 A2G 10 H1 A2G 10 -38.260 -97.963 -45.938 64 H2 A2G 10 H2 A2G 10 -37.098 -96.315 -47.343 65 HN2 A2G 10 HN2 A2G 10 -40.035 -96.044 -47.610 66 H3 A2G 10 H3 A2G 10 -38.939 -97.272 -49.553 67 HO3 A2G 10 HO3 A2G 10 -36.813 -95.803 -50.271 68 H4 A2G 10 H4 A2G 10 -36.946 -98.190 -50.597 69 HO4 A2G 10 HO4 A2G 10 -34.980 -98.150 -49.368 70 H5 A2G 10 H5 A2G 10 -38.122 -99.672 -49.031 71 H6 A2G 10 H6 A2G 10 -35.482 -99.946 -49.874 72 H8 A2G 10 H8 A2G 10 -39.816 -93.028 -45.703 73 H8A A2G 10 H8A A2G 10 -40.862 -94.440 -45.849 74 H8B A2G 10 H8B A2G 10 -40.505 -93.457 -47.268 75 H14 A2G 10 H14 A2G 10 -35.405-100.322 -48.153 76 H15 A2G 10 H15 A2G 10 -36.072-102.199 -48.841 77 H1 A2G 11 H1 A2G 11 -38.084 -91.966 -39.858 78 H2 A2G 11 H2 A2G 11 -40.094 -91.353 -38.585 79 HN2 A2G 11 HN2 A2G 11 -40.338 -94.110 -39.634 80 H3 A2G 11 H3 A2G 11 -41.628 -92.393 -40.982 81 HO3 A2G 11 HO3 A2G 11 -42.270 -92.235 -38.481 82 H4 A2G 11 H4 A2G 11 -42.291 -90.085 -41.357 83 HO4 A2G 11 HO4 A2G 11 -41.522 -88.457 -40.046 84 H5 A2G 11 H5 A2G 11 -40.204 -90.795 -42.436 85 H6 A2G 11 H6 A2G 11 -39.960 -88.010 -41.247 86 H8 A2G 11 H8 A2G 11 -41.026 -95.479 -37.115 87 H8A A2G 11 H8A A2G 11 -39.376 -95.357 -36.506 88 H8B A2G 11 H8B A2G 11 -39.664 -95.753 -38.200 89 H14 A2G 11 H14 A2G 11 -39.158 -88.583 -42.711 90 H15 A2G 11 H15 A2G 11 -41.722 -87.737 -42.336 Start of MODEL 5 1 H1 ACE 1 H1 ACE 1 -43.818-102.219 -52.854 2 H2 ACE 1 H2 ACE 1 -44.336-100.809 -53.778 3 H3 ACE 1 H3 ACE 1 -45.241-101.307 -52.350 4 HA PRO 2 HA PRO 2 -42.112 -98.103 -51.075 5 HB2 PRO 2 HB2 PRO 2 -44.227 -96.566 -49.882 6 HB3 PRO 2 HB3 PRO 2 -43.237 -96.149 -51.288 7 HG2 PRO 2 HG2 PRO 2 -45.942 -96.731 -51.324 8 HG3 PRO 2 HG3 PRO 2 -44.860 -96.724 -52.723 9 HD2 PRO 2 HD2 PRO 2 -45.949 -99.036 -51.198 10 HD3 PRO 2 HD3 PRO 2 -45.459 -98.931 -52.908 11 H THR 3 H THR 3 -41.106 -98.467 -49.179 12 HA THR 3 HA THR 3 -42.609 -99.729 -47.007 13 HB THR 3 HB THR 3 -40.253 -99.951 -46.016 14 HG21 THR 3 HG21 THR 3 -40.902-101.192 -48.706 15 HG22 THR 3 HG22 THR 3 -41.337-101.833 -47.122 16 HG23 THR 3 HG23 THR 3 -39.645-101.775 -47.615 17 H THR 4 H THR 4 -41.615 -99.009 -44.760 18 HA THR 4 HA THR 4 -42.265 -96.176 -44.510 19 HB THR 4 HB THR 4 -43.310 -97.841 -42.998 20 HG1 THR 4 HG1 THR 4 -43.326 -96.201 -41.717 21 HG21 THR 4 HG21 THR 4 -42.064 -99.137 -41.487 22 HG22 THR 4 HG22 THR 4 -40.624 -98.135 -41.671 23 HG23 THR 4 HG23 THR 4 -41.110 -99.228 -42.967 24 H THR 5 H THR 5 -40.887 -95.263 -42.403 25 HA THR 5 HA THR 5 -38.203 -94.986 -43.478 26 HB THR 5 HB THR 5 -38.170 -93.612 -41.103 27 HG21 THR 5 HG21 THR 5 -38.656 -91.630 -42.493 28 HG22 THR 5 HG22 THR 5 -39.292 -92.677 -43.762 29 HG23 THR 5 HG23 THR 5 -37.581 -92.742 -43.340 30 HA PRO 6 HA PRO 6 -36.205 -97.757 -40.689 31 HB2 PRO 6 HB2 PRO 6 -33.928 -96.062 -40.186 32 HB3 PRO 6 HB3 PRO 6 -34.064 -97.399 -41.340 33 HG2 PRO 6 HG2 PRO 6 -33.800 -94.740 -42.013 34 HG3 PRO 6 HG3 PRO 6 -34.430 -96.009 -43.076 35 HD2 PRO 6 HD2 PRO 6 -35.927 -93.937 -41.520 36 HD3 PRO 6 HD3 PRO 6 -36.303 -94.657 -43.101 37 H LEU 7 H LEU 7 -36.525 -98.224 -38.585 38 HA LEU 7 HA LEU 7 -37.459 -96.371 -36.699 39 HB2 LEU 7 HB2 LEU 7 -36.417 -99.174 -36.552 40 HB3 LEU 7 HB3 LEU 7 -36.663 -98.276 -35.054 41 HG LEU 7 HG LEU 7 -38.850 -98.221 -37.090 42 HD11 LEU 7 HD11 LEU 7 -38.274-100.560 -35.246 43 HD12 LEU 7 HD12 LEU 7 -38.253-100.597 -37.009 44 HD13 LEU 7 HD13 LEU 7 -39.771-100.332 -36.151 45 HD21 LEU 7 HD21 LEU 7 -38.790 -98.415 -34.059 46 HD22 LEU 7 HD22 LEU 7 -40.224 -98.144 -35.049 47 HD23 LEU 7 HD23 LEU 7 -38.958 -96.918 -34.976 48 H LYS 8 H LYS 8 -36.468 -94.942 -35.427 49 HA LYS 8 HA LYS 8 -34.670 -93.563 -34.832 50 HB2 LYS 8 HB2 LYS 8 -35.127 -95.639 -33.132 51 HB3 LYS 8 HB3 LYS 8 -33.414 -95.869 -33.483 52 HG2 LYS 8 HG2 LYS 8 -34.645 -93.242 -32.596 53 HG3 LYS 8 HG3 LYS 8 -33.807 -94.365 -31.524 54 HD2 LYS 8 HD2 LYS 8 -31.775 -94.167 -32.950 55 HD3 LYS 8 HD3 LYS 8 -32.615 -92.972 -33.939 56 HE2 LYS 8 HE2 LYS 8 -31.792 -92.746 -31.041 57 HE3 LYS 8 HE3 LYS 8 -31.352 -91.692 -32.385 58 HZ1 LYS 8 HZ1 LYS 8 -33.962 -91.442 -32.496 59 HZ2 LYS 8 HZ2 LYS 8 -33.011 -90.466 -31.483 60 HZ3 LYS 8 HZ3 LYS 8 -33.831 -91.810 -30.846 61 HN1 NH2 9 HN1 NH2 9 -33.683 -94.125 -37.505 62 HN2 NH2 9 HN2 NH2 9 -32.863 -95.612 -37.499 63 H1 A2G 10 H1 A2G 10 -38.727 -98.791 -45.854 64 H2 A2G 10 H2 A2G 10 -37.008 -97.214 -46.630 65 HN2 A2G 10 HN2 A2G 10 -39.693 -96.610 -47.721 66 H3 A2G 10 H3 A2G 10 -38.094 -97.784 -49.401 67 HO3 A2G 10 HO3 A2G 10 -36.262 -96.473 -49.950 68 H4 A2G 10 H4 A2G 10 -35.966 -98.874 -49.836 69 HO4 A2G 10 HO4 A2G 10 -34.349 -98.792 -48.454 70 H5 A2G 10 H5 A2G 10 -37.730-100.298 -48.894 71 H6 A2G 10 H6 A2G 10 -35.126-100.959 -49.049 72 H8 A2G 10 H8 A2G 10 -39.614 -93.529 -45.904 73 H8A A2G 10 H8A A2G 10 -40.756 -94.854 -46.137 74 H8B A2G 10 H8B A2G 10 -40.028 -94.061 -47.534 75 H14 A2G 10 H14 A2G 10 -35.355-101.168 -47.313 76 H15 A2G 10 H15 A2G 10 -36.590-102.495 -49.454 77 H1 A2G 11 H1 A2G 11 -39.382 -92.662 -39.746 78 H2 A2G 11 H2 A2G 11 -41.542 -92.129 -38.715 79 HN2 A2G 11 HN2 A2G 11 -41.499 -94.927 -39.689 80 H3 A2G 11 H3 A2G 11 -42.783 -93.326 -41.207 81 HO3 A2G 11 HO3 A2G 11 -43.706 -92.371 -38.745 82 H4 A2G 11 H4 A2G 11 -43.499 -91.066 -41.748 83 HO4 A2G 11 HO4 A2G 11 -43.187 -89.423 -40.410 84 H5 A2G 11 H5 A2G 11 -41.290 -91.752 -42.587 85 H6 A2G 11 H6 A2G 11 -41.393 -88.893 -41.572 86 H8 A2G 11 H8 A2G 11 -42.181 -96.409 -37.387 87 H8A A2G 11 H8A A2G 11 -40.797 -95.980 -36.380 88 H8B A2G 11 H8B A2G 11 -40.559 -96.384 -38.080 89 H14 A2G 11 H14 A2G 11 -40.271 -89.475 -42.800 90 H15 A2G 11 H15 A2G 11 -42.355 -88.488 -43.496 Start of MODEL 6 1 H1 ACE 1 H1 ACE 1 -40.965 -97.026 -51.504 2 H2 ACE 1 H2 ACE 1 -41.620 -95.493 -50.928 3 H3 ACE 1 H3 ACE 1 -42.290 -96.251 -52.373 4 HA PRO 2 HA PRO 2 -44.947 -98.814 -49.939 5 HB2 PRO 2 HB2 PRO 2 -43.852-101.440 -50.403 6 HB3 PRO 2 HB3 PRO 2 -45.214-100.659 -51.221 7 HG2 PRO 2 HG2 PRO 2 -42.774-101.251 -52.373 8 HG3 PRO 2 HG3 PRO 2 -43.958-100.094 -52.999 9 HD2 PRO 2 HD2 PRO 2 -41.422 -99.577 -51.517 10 HD3 PRO 2 HD3 PRO 2 -42.245 -98.577 -52.736 11 H THR 3 H THR 3 -42.393 -98.004 -48.585 12 HA THR 3 HA THR 3 -42.687 -99.743 -46.247 13 HB THR 3 HB THR 3 -40.250-100.002 -46.002 14 HG21 THR 3 HG21 THR 3 -41.707-101.644 -47.331 15 HG22 THR 3 HG22 THR 3 -39.971-101.711 -47.637 16 HG23 THR 3 HG23 THR 3 -41.036-100.894 -48.780 17 H THR 4 H THR 4 -41.833 -98.789 -44.295 18 HA THR 4 HA THR 4 -42.056 -95.879 -44.346 19 HB THR 4 HB THR 4 -43.299 -97.206 -42.657 20 HG1 THR 4 HG1 THR 4 -41.927 -95.047 -42.320 21 HG21 THR 4 HG21 THR 4 -40.879 -97.698 -41.046 22 HG22 THR 4 HG22 THR 4 -41.016 -98.701 -42.490 23 HG23 THR 4 HG23 THR 4 -42.300 -98.714 -41.282 24 H THR 5 H THR 5 -40.539 -95.101 -42.228 25 HA THR 5 HA THR 5 -37.874 -95.154 -43.368 26 HB THR 5 HB THR 5 -37.732 -93.780 -40.955 27 HG21 THR 5 HG21 THR 5 -36.776 -92.881 -42.938 28 HG22 THR 5 HG22 THR 5 -38.067 -91.759 -42.508 29 HG23 THR 5 HG23 THR 5 -38.316 -92.937 -43.797 30 HA PRO 6 HA PRO 6 -36.064 -98.049 -40.600 31 HB2 PRO 6 HB2 PRO 6 -33.687 -96.510 -40.064 32 HB3 PRO 6 HB3 PRO 6 -33.899 -97.831 -41.223 33 HG2 PRO 6 HG2 PRO 6 -33.466 -95.181 -41.871 34 HG3 PRO 6 HG3 PRO 6 -34.123 -96.416 -42.956 35 HD2 PRO 6 HD2 PRO 6 -35.551 -94.247 -41.489 36 HD3 PRO 6 HD3 PRO 6 -35.949 -95.016 -43.043 37 H LEU 7 H LEU 7 -36.674 -98.450 -38.558 38 HA LEU 7 HA LEU 7 -37.329 -96.504 -36.649 39 HB2 LEU 7 HB2 LEU 7 -36.773 -99.452 -36.507 40 HB3 LEU 7 HB3 LEU 7 -37.046 -98.526 -35.030 41 HG LEU 7 HG LEU 7 -38.969 -98.074 -37.252 42 HD11 LEU 7 HD11 LEU 7 -38.661-100.673 -35.764 43 HD12 LEU 7 HD12 LEU 7 -38.992-100.413 -37.476 44 HD13 LEU 7 HD13 LEU 7 -40.256-100.126 -36.279 45 HD21 LEU 7 HD21 LEU 7 -40.523 -97.887 -35.387 46 HD22 LEU 7 HD22 LEU 7 -39.072 -96.961 -35.004 47 HD23 LEU 7 HD23 LEU 7 -39.323 -98.548 -34.276 48 H LYS 8 H LYS 8 -36.206 -95.459 -35.099 49 HA LYS 8 HA LYS 8 -33.349 -95.405 -35.244 50 HB2 LYS 8 HB2 LYS 8 -35.438 -94.044 -33.592 51 HB3 LYS 8 HB3 LYS 8 -33.761 -93.997 -33.048 52 HG2 LYS 8 HG2 LYS 8 -34.304 -92.054 -34.487 53 HG3 LYS 8 HG3 LYS 8 -33.062 -93.074 -35.213 54 HD2 LYS 8 HD2 LYS 8 -34.660 -94.098 -36.697 55 HD3 LYS 8 HD3 LYS 8 -36.009 -93.332 -35.859 56 HE2 LYS 8 HE2 LYS 8 -33.814 -91.781 -37.254 57 HE3 LYS 8 HE3 LYS 8 -35.349 -92.195 -38.016 58 HZ1 LYS 8 HZ1 LYS 8 -35.311 -90.844 -35.399 59 HZ2 LYS 8 HZ2 LYS 8 -36.526 -90.848 -36.586 60 HZ3 LYS 8 HZ3 LYS 8 -35.109 -89.942 -36.821 61 HN1 NH2 9 HN1 NH2 9 -35.208 -97.193 -32.271 62 HN2 NH2 9 HN2 NH2 9 -34.281 -95.930 -31.618 63 H1 A2G 10 H1 A2G 10 -38.817 -98.605 -45.965 64 H2 A2G 10 H2 A2G 10 -37.202 -97.060 -46.985 65 HN2 A2G 10 HN2 A2G 10 -40.004 -96.368 -47.649 66 H3 A2G 10 H3 A2G 10 -38.722 -97.564 -49.557 67 HO3 A2G 10 HO3 A2G 10 -36.284 -96.199 -49.179 68 H4 A2G 10 H4 A2G 10 -36.717 -98.700 -50.331 69 HO4 A2G 10 HO4 A2G 10 -35.631 -98.530 -47.748 70 H5 A2G 10 H5 A2G 10 -38.352-100.091 -49.139 71 H6 A2G 10 H6 A2G 10 -35.772-100.779 -49.663 72 H8 A2G 10 H8 A2G 10 -39.616 -93.410 -45.675 73 H8A A2G 10 H8A A2G 10 -40.783 -94.722 -45.838 74 H8B A2G 10 H8B A2G 10 -40.278 -93.809 -47.260 75 H14 A2G 10 H14 A2G 10 -35.835-101.095 -47.929 76 H15 A2G 10 H15 A2G 10 -36.510-102.841 -49.421 77 H1 A2G 11 H1 A2G 11 -38.816 -92.514 -39.817 78 H2 A2G 11 H2 A2G 11 -40.955 -91.893 -38.780 79 HN2 A2G 11 HN2 A2G 11 -40.884 -94.743 -39.581 80 H3 A2G 11 H3 A2G 11 -42.226 -93.225 -41.187 81 HO3 A2G 11 HO3 A2G 11 -43.108 -92.946 -38.803 82 H4 A2G 11 H4 A2G 11 -42.955 -90.999 -41.833 83 HO4 A2G 11 HO4 A2G 11 -42.621 -90.430 -39.368 84 H5 A2G 11 H5 A2G 11 -40.751 -91.693 -42.662 85 H6 A2G 11 H6 A2G 11 -40.859 -88.802 -41.741 86 H8 A2G 11 H8 A2G 11 -42.045 -95.925 -37.187 87 H8A A2G 11 H8A A2G 11 -40.615 -95.645 -36.193 88 H8B A2G 11 H8B A2G 11 -40.438 -96.207 -37.855 89 H14 A2G 11 H14 A2G 11 -39.734 -89.420 -42.950 90 H15 A2G 11 H15 A2G 11 -42.467 -88.971 -43.110 Start of MODEL 7 1 H1 ACE 1 H1 ACE 1 -44.060 -96.011 -49.289 2 H2 ACE 1 H2 ACE 1 -44.968 -96.845 -50.550 3 H3 ACE 1 H3 ACE 1 -43.217 -96.680 -50.687 4 HA PRO 2 HA PRO 2 -44.130-100.780 -48.719 5 HB2 PRO 2 HB2 PRO 2 -42.421-102.011 -50.687 6 HB3 PRO 2 HB3 PRO 2 -44.170-102.197 -50.484 7 HG2 PRO 2 HG2 PRO 2 -42.923-100.941 -52.605 8 HG3 PRO 2 HG3 PRO 2 -44.621-100.749 -52.146 9 HD2 PRO 2 HD2 PRO 2 -42.323 -98.907 -51.674 10 HD3 PRO 2 HD3 PRO 2 -44.047 -98.532 -51.900 11 H THR 3 H THR 3 -42.031 -98.690 -48.226 12 HA THR 3 HA THR 3 -40.062-100.476 -47.001 13 HB THR 3 HB THR 3 -38.204 -98.961 -47.815 14 HG21 THR 3 HG21 THR 3 -37.994-100.091 -49.940 15 HG22 THR 3 HG22 THR 3 -39.733-100.368 -50.018 16 HG23 THR 3 HG23 THR 3 -38.761-101.211 -48.813 17 H THR 4 H THR 4 -40.869 -99.900 -44.987 18 HA THR 4 HA THR 4 -41.023 -97.084 -44.250 19 HB THR 4 HB THR 4 -41.310 -98.916 -42.034 20 HG1 THR 4 HG1 THR 4 -43.409 -99.482 -43.560 21 HG21 THR 4 HG21 THR 4 -43.462 -97.816 -41.850 22 HG22 THR 4 HG22 THR 4 -43.357 -97.242 -43.514 23 HG23 THR 4 HG23 THR 4 -42.257 -96.607 -42.291 24 H THR 5 H THR 5 -39.801 -96.142 -42.567 25 HA THR 5 HA THR 5 -37.078 -97.136 -42.420 26 HB THR 5 HB THR 5 -36.676 -95.020 -41.153 27 HG21 THR 5 HG21 THR 5 -38.297 -94.488 -43.647 28 HG22 THR 5 HG22 THR 5 -36.691 -95.214 -43.708 29 HG23 THR 5 HG23 THR 5 -36.901 -93.592 -43.049 30 HA PRO 6 HA PRO 6 -37.336 -98.965 -38.443 31 HB2 PRO 6 HB2 PRO 6 -34.781 -97.985 -37.538 32 HB3 PRO 6 HB3 PRO 6 -35.168 -99.574 -38.216 33 HG2 PRO 6 HG2 PRO 6 -33.614 -97.643 -39.434 34 HG3 PRO 6 HG3 PRO 6 -34.383 -99.013 -40.247 35 HD2 PRO 6 HD2 PRO 6 -35.213 -96.150 -40.195 36 HD3 PRO 6 HD3 PRO 6 -35.453 -97.376 -41.462 37 H LEU 7 H LEU 7 -37.700 -98.586 -36.221 38 HA LEU 7 HA LEU 7 -38.804 -96.110 -35.521 39 HB2 LEU 7 HB2 LEU 7 -37.807 -98.387 -33.800 40 HB3 LEU 7 HB3 LEU 7 -38.693 -97.000 -33.166 41 HG LEU 7 HG LEU 7 -39.865 -98.427 -35.510 42 HD11 LEU 7 HD11 LEU 7 -39.963 -99.477 -32.664 43 HD12 LEU 7 HD12 LEU 7 -39.184-100.274 -34.031 44 HD13 LEU 7 HD13 LEU 7 -40.935-100.078 -34.007 45 HD21 LEU 7 HD21 LEU 7 -40.820 -96.359 -34.375 46 HD22 LEU 7 HD22 LEU 7 -41.123 -97.373 -32.963 47 HD23 LEU 7 HD23 LEU 7 -41.928 -97.726 -34.492 48 H LYS 8 H LYS 8 -37.664 -94.268 -35.497 49 HA LYS 8 HA LYS 8 -35.620 -93.868 -33.539 50 HB2 LYS 8 HB2 LYS 8 -33.823 -93.231 -35.161 51 HB3 LYS 8 HB3 LYS 8 -34.188 -94.957 -35.156 52 HG2 LYS 8 HG2 LYS 8 -34.813 -94.902 -37.319 53 HG3 LYS 8 HG3 LYS 8 -35.906 -93.548 -37.022 54 HD2 LYS 8 HD2 LYS 8 -34.168 -92.906 -38.640 55 HD3 LYS 8 HD3 LYS 8 -33.987 -91.986 -37.146 56 HE2 LYS 8 HE2 LYS 8 -31.935 -92.842 -36.782 57 HE3 LYS 8 HE3 LYS 8 -32.524 -94.489 -37.003 58 HZ1 LYS 8 HZ1 LYS 8 -31.009 -92.922 -38.773 59 HZ2 LYS 8 HZ2 LYS 8 -32.509 -93.255 -39.499 60 HZ3 LYS 8 HZ3 LYS 8 -31.522 -94.528 -38.958 61 HN1 NH2 9 HN1 NH2 9 -37.308 -92.152 -33.091 62 HN2 NH2 9 HN2 NH2 9 -37.578 -90.886 -34.189 63 H1 A2G 10 H1 A2G 10 -38.197 -96.972 -47.860 64 H2 A2G 10 H2 A2G 10 -38.755 -94.765 -48.785 65 HN2 A2G 10 HN2 A2G 10 -41.146 -96.336 -48.022 66 H3 A2G 10 H3 A2G 10 -40.667 -96.279 -50.586 67 HO3 A2G 10 HO3 A2G 10 -41.502 -94.323 -50.298 68 H4 A2G 10 H4 A2G 10 -39.196 -95.644 -52.412 69 HO4 A2G 10 HO4 A2G 10 -38.241 -93.811 -51.878 70 H5 A2G 10 H5 A2G 10 -38.656 -97.754 -51.279 71 H6 A2G 10 H6 A2G 10 -36.981 -96.353 -52.929 72 H8 A2G 10 H8 A2G 10 -41.831 -93.879 -45.522 73 H8A A2G 10 H8A A2G 10 -41.903 -95.626 -45.748 74 H8B A2G 10 H8B A2G 10 -42.766 -94.557 -46.854 75 H14 A2G 10 H14 A2G 10 -35.926 -96.648 -51.548 76 H15 A2G 10 H15 A2G 10 -37.298 -98.518 -53.156 77 H1 A2G 11 H1 A2G 11 -37.719 -94.559 -39.334 78 H2 A2G 11 H2 A2G 11 -39.379 -93.118 -38.231 79 HN2 A2G 11 HN2 A2G 11 -40.667 -95.356 -39.683 80 H3 A2G 11 H3 A2G 11 -40.784 -93.106 -40.916 81 HO3 A2G 11 HO3 A2G 11 -41.536 -92.606 -38.384 82 H4 A2G 11 H4 A2G 11 -40.190 -90.753 -41.037 83 HO4 A2G 11 HO4 A2G 11 -39.600 -89.743 -39.311 84 H5 A2G 11 H5 A2G 11 -38.544 -92.327 -41.951 85 H6 A2G 11 H6 A2G 11 -37.328 -90.032 -40.382 86 H8 A2G 11 H8 A2G 11 -42.516 -96.246 -37.621 87 H8A A2G 11 H8A A2G 11 -41.258 -96.952 -36.605 88 H8B A2G 11 H8B A2G 11 -41.202 -97.165 -38.354 89 H14 A2G 11 H14 A2G 11 -36.483 -90.918 -41.651 90 H15 A2G 11 H15 A2G 11 -37.698 -90.010 -43.131 Start of MODEL 8 1 H1 ACE 1 H1 ACE 1 -43.820-102.126 -53.554 2 H2 ACE 1 H2 ACE 1 -45.367-101.288 -53.429 3 H3 ACE 1 H3 ACE 1 -44.948-102.545 -52.265 4 HA PRO 2 HA PRO 2 -43.727 -98.451 -50.459 5 HB2 PRO 2 HB2 PRO 2 -45.171 -99.169 -48.071 6 HB3 PRO 2 HB3 PRO 2 -45.537 -97.880 -49.226 7 HG2 PRO 2 HG2 PRO 2 -47.048-100.158 -48.832 8 HG3 PRO 2 HG3 PRO 2 -47.120 -99.104 -50.252 9 HD2 PRO 2 HD2 PRO 2 -45.800-101.760 -49.946 10 HD3 PRO 2 HD3 PRO 2 -46.514-101.010 -51.392 11 H THR 3 H THR 3 -42.729 -98.094 -48.182 12 HA THR 3 HA THR 3 -41.494-100.506 -47.073 13 HB THR 3 HB THR 3 -39.255 -99.121 -47.160 14 HG21 THR 3 HG21 THR 3 -40.426-100.544 -49.568 15 HG22 THR 3 HG22 THR 3 -39.580-101.311 -48.223 16 HG23 THR 3 HG23 THR 3 -38.710-100.230 -49.312 17 H THR 4 H THR 4 -39.706 -99.446 -45.370 18 HA THR 4 HA THR 4 -40.910 -97.210 -43.936 19 HB THR 4 HB THR 4 -40.504 -99.120 -41.919 20 HG1 THR 4 HG1 THR 4 -40.792-100.894 -43.026 21 HG21 THR 4 HG21 THR 4 -42.178 -97.345 -41.887 22 HG22 THR 4 HG22 THR 4 -42.973 -98.904 -41.671 23 HG23 THR 4 HG23 THR 4 -43.033 -98.093 -43.237 24 H THR 5 H THR 5 -39.404 -96.034 -42.894 25 HA THR 5 HA THR 5 -36.629 -96.846 -43.118 26 HB THR 5 HB THR 5 -36.225 -94.577 -42.068 27 HG21 THR 5 HG21 THR 5 -36.730 -93.393 -44.080 28 HG22 THR 5 HG22 THR 5 -38.081 -94.464 -44.452 29 HG23 THR 5 HG23 THR 5 -36.426 -95.060 -44.569 30 HA PRO 6 HA PRO 6 -35.819 -98.659 -39.228 31 HB2 PRO 6 HB2 PRO 6 -33.746 -96.804 -38.481 32 HB3 PRO 6 HB3 PRO 6 -33.568 -98.447 -39.116 33 HG2 PRO 6 HG2 PRO 6 -33.318 -95.883 -40.491 34 HG3 PRO 6 HG3 PRO 6 -32.729 -97.483 -40.966 35 HD2 PRO 6 HD2 PRO 6 -34.804 -96.216 -42.229 36 HD3 PRO 6 HD3 PRO 6 -34.652 -97.986 -42.146 37 H LEU 7 H LEU 7 -37.099 -98.421 -37.494 38 HA LEU 7 HA LEU 7 -38.351 -96.032 -36.726 39 HB2 LEU 7 HB2 LEU 7 -39.333 -98.111 -36.066 40 HB3 LEU 7 HB3 LEU 7 -37.865 -98.608 -35.222 41 HG LEU 7 HG LEU 7 -38.153 -96.880 -33.559 42 HD11 LEU 7 HD11 LEU 7 -38.968 -95.011 -34.733 43 HD12 LEU 7 HD12 LEU 7 -40.351 -95.494 -33.753 44 HD13 LEU 7 HD13 LEU 7 -40.288 -95.928 -35.461 45 HD21 LEU 7 HD21 LEU 7 -39.473 -98.950 -33.245 46 HD22 LEU 7 HD22 LEU 7 -40.812 -98.228 -34.136 47 HD23 LEU 7 HD23 LEU 7 -40.320 -97.551 -32.584 48 H LYS 8 H LYS 8 -37.316 -94.268 -36.037 49 HA LYS 8 HA LYS 8 -35.566 -93.005 -35.126 50 HB2 LYS 8 HB2 LYS 8 -37.412 -93.268 -33.416 51 HB3 LYS 8 HB3 LYS 8 -36.446 -94.547 -32.680 52 HG2 LYS 8 HG2 LYS 8 -34.542 -92.905 -32.507 53 HG3 LYS 8 HG3 LYS 8 -35.656 -91.645 -33.040 54 HD2 LYS 8 HD2 LYS 8 -37.147 -92.690 -31.069 55 HD3 LYS 8 HD3 LYS 8 -35.550 -93.107 -30.445 56 HE2 LYS 8 HE2 LYS 8 -36.152 -90.919 -29.586 57 HE3 LYS 8 HE3 LYS 8 -34.866 -90.713 -30.773 58 HZ1 LYS 8 HZ1 LYS 8 -36.265 -89.217 -31.645 59 HZ2 LYS 8 HZ2 LYS 8 -37.631 -89.872 -30.876 60 HZ3 LYS 8 HZ3 LYS 8 -37.048 -90.565 -32.312 61 HN1 NH2 9 HN1 NH2 9 -34.937 -96.115 -33.126 62 HN2 NH2 9 HN2 NH2 9 -33.524 -95.249 -32.758 63 H1 A2G 10 H1 A2G 10 -38.329 -97.536 -47.777 64 H2 A2G 10 H2 A2G 10 -38.295 -95.264 -48.714 65 HN2 A2G 10 HN2 A2G 10 -40.944 -95.869 -47.537 66 H3 A2G 10 H3 A2G 10 -40.886 -96.053 -50.073 67 HO3 A2G 10 HO3 A2G 10 -39.556 -93.815 -50.872 68 H4 A2G 10 H4 A2G 10 -39.643 -95.931 -52.157 69 HO4 A2G 10 HO4 A2G 10 -37.999 -94.630 -52.029 70 H5 A2G 10 H5 A2G 10 -39.626 -98.105 -51.018 71 H6 A2G 10 H6 A2G 10 -37.906 -97.326 -53.002 72 H8 A2G 10 H8 A2G 10 -40.181 -93.549 -44.924 73 H8A A2G 10 H8A A2G 10 -40.863 -95.171 -45.036 74 H8B A2G 10 H8B A2G 10 -41.520 -93.868 -46.026 75 H14 A2G 10 H14 A2G 10 -36.779 -97.969 -51.808 76 H15 A2G 10 H15 A2G 10 -39.096 -99.421 -52.360 77 H1 A2G 11 H1 A2G 11 -37.304 -94.290 -40.116 78 H2 A2G 11 H2 A2G 11 -38.911 -92.789 -39.018 79 HN2 A2G 11 HN2 A2G 11 -40.297 -94.956 -40.486 80 H3 A2G 11 H3 A2G 11 -40.301 -92.711 -41.709 81 HO3 A2G 11 HO3 A2G 11 -41.428 -90.997 -40.462 82 H4 A2G 11 H4 A2G 11 -39.612 -90.382 -41.817 83 HO4 A2G 11 HO4 A2G 11 -39.328 -89.547 -39.911 84 H5 A2G 11 H5 A2G 11 -38.025 -92.018 -42.730 85 H6 A2G 11 H6 A2G 11 -36.645 -89.838 -41.128 86 H8 A2G 11 H8 A2G 11 -42.046 -95.802 -37.858 87 H8A A2G 11 H8A A2G 11 -40.619 -96.838 -37.802 88 H8B A2G 11 H8B A2G 11 -41.364 -96.447 -39.352 89 H14 A2G 11 H14 A2G 11 -35.950 -90.685 -42.509 90 H15 A2G 11 H15 A2G 11 -36.885 -89.195 -43.636 Start of MODEL 9 1 H1 ACE 1 H1 ACE 1 -43.101-102.711 -52.174 2 H2 ACE 1 H2 ACE 1 -41.766-101.840 -52.930 3 H3 ACE 1 H3 ACE 1 -43.433-101.378 -53.279 4 HA PRO 2 HA PRO 2 -43.795 -98.377 -50.114 5 HB2 PRO 2 HB2 PRO 2 -45.581 -99.790 -48.350 6 HB3 PRO 2 HB3 PRO 2 -45.969 -98.499 -49.497 7 HG2 PRO 2 HG2 PRO 2 -46.320-101.386 -49.756 8 HG3 PRO 2 HG3 PRO 2 -47.079-100.069 -50.662 9 HD2 PRO 2 HD2 PRO 2 -45.204-101.746 -51.747 10 HD3 PRO 2 HD3 PRO 2 -45.442-100.070 -52.293 11 H THR 3 H THR 3 -42.603 -97.836 -48.346 12 HA THR 3 HA THR 3 -41.899 -99.881 -46.373 13 HB THR 3 HB THR 3 -39.453 -98.935 -46.598 14 HG21 THR 3 HG21 THR 3 -38.936-100.764 -48.179 15 HG22 THR 3 HG22 THR 3 -40.648-100.889 -48.587 16 HG23 THR 3 HG23 THR 3 -40.098-101.285 -46.960 17 H THR 4 H THR 4 -40.022 -98.508 -44.946 18 HA THR 4 HA THR 4 -41.012 -95.812 -44.433 19 HB THR 4 HB THR 4 -42.482 -97.382 -43.118 20 HG1 THR 4 HG1 THR 4 -42.559 -95.720 -41.867 21 HG21 THR 4 HG21 THR 4 -41.627 -98.881 -41.624 22 HG22 THR 4 HG22 THR 4 -40.286 -97.826 -41.179 23 HG23 THR 4 HG23 THR 4 -40.203 -98.779 -42.660 24 H THR 5 H THR 5 -39.806 -95.102 -42.217 25 HA THR 5 HA THR 5 -36.988 -95.305 -42.874 26 HB THR 5 HB THR 5 -37.190 -93.872 -40.505 27 HG21 THR 5 HG21 THR 5 -37.157 -91.881 -42.116 28 HG22 THR 5 HG22 THR 5 -37.281 -93.065 -43.417 29 HG23 THR 5 HG23 THR 5 -35.885 -93.081 -42.339 30 HA PRO 6 HA PRO 6 -35.835 -98.208 -39.783 31 HB2 PRO 6 HB2 PRO 6 -33.500 -96.776 -38.885 32 HB3 PRO 6 HB3 PRO 6 -33.587 -98.118 -40.034 33 HG2 PRO 6 HG2 PRO 6 -32.907 -95.515 -40.656 34 HG3 PRO 6 HG3 PRO 6 -33.440 -96.745 -41.809 35 HD2 PRO 6 HD2 PRO 6 -34.972 -94.466 -40.649 36 HD3 PRO 6 HD3 PRO 6 -35.146 -95.257 -42.231 37 H LEU 7 H LEU 7 -36.853 -98.491 -37.888 38 HA LEU 7 HA LEU 7 -37.662 -96.447 -36.147 39 HB2 LEU 7 HB2 LEU 7 -37.348 -99.424 -35.795 40 HB3 LEU 7 HB3 LEU 7 -37.928 -98.390 -34.489 41 HG LEU 7 HG LEU 7 -39.234 -97.917 -37.092 42 HD11 LEU 7 HD11 LEU 7 -39.147-100.277 -37.368 43 HD12 LEU 7 HD12 LEU 7 -40.733 -99.963 -36.663 44 HD13 LEU 7 HD13 LEU 7 -39.421-100.567 -35.651 45 HD21 LEU 7 HD21 LEU 7 -40.410 -98.560 -34.374 46 HD22 LEU 7 HD22 LEU 7 -41.169 -97.672 -35.696 47 HD23 LEU 7 HD23 LEU 7 -39.831 -96.951 -34.804 48 H LYS 8 H LYS 8 -36.770 -95.507 -34.379 49 HA LYS 8 HA LYS 8 -33.933 -95.648 -34.041 50 HB2 LYS 8 HB2 LYS 8 -36.108 -93.970 -33.137 51 HB3 LYS 8 HB3 LYS 8 -35.025 -94.360 -31.800 52 HG2 LYS 8 HG2 LYS 8 -33.090 -93.639 -33.156 53 HG3 LYS 8 HG3 LYS 8 -34.177 -93.237 -34.487 54 HD2 LYS 8 HD2 LYS 8 -35.295 -91.926 -32.298 55 HD3 LYS 8 HD3 LYS 8 -33.558 -91.705 -32.082 56 HE2 LYS 8 HE2 LYS 8 -35.228 -90.959 -34.492 57 HE3 LYS 8 HE3 LYS 8 -34.298 -89.883 -33.450 58 HZ1 LYS 8 HZ1 LYS 8 -33.284 -91.881 -35.382 59 HZ2 LYS 8 HZ2 LYS 8 -32.297 -91.213 -34.172 60 HZ3 LYS 8 HZ3 LYS 8 -32.995 -90.210 -35.352 61 HN1 NH2 9 HN1 NH2 9 -33.417 -95.653 -31.325 62 HN2 NH2 9 HN2 NH2 9 -33.711 -97.221 -30.744 63 H1 A2G 10 H1 A2G 10 -38.221 -97.783 -47.552 64 H2 A2G 10 H2 A2G 10 -37.711 -95.985 -49.147 65 HN2 A2G 10 HN2 A2G 10 -40.496 -95.829 -48.151 66 H3 A2G 10 H3 A2G 10 -40.280 -96.815 -50.523 67 HO3 A2G 10 HO3 A2G 10 -38.369 -95.097 -51.598 68 H4 A2G 10 H4 A2G 10 -38.868 -97.574 -52.351 69 HO4 A2G 10 HO4 A2G 10 -36.679 -97.387 -52.257 70 H5 A2G 10 H5 A2G 10 -39.326 -99.220 -50.588 71 H6 A2G 10 H6 A2G 10 -37.407 -99.447 -52.485 72 H8 A2G 10 H8 A2G 10 -39.612 -92.776 -46.508 73 H8A A2G 10 H8A A2G 10 -40.464 -94.260 -46.084 74 H8B A2G 10 H8B A2G 10 -40.921 -93.365 -47.533 75 H14 A2G 10 H14 A2G 10 -36.425 -99.690 -51.041 76 H15 A2G 10 H15 A2G 10 -37.527-101.587 -52.045 77 H1 A2G 11 H1 A2G 11 -38.406 -92.528 -39.582 78 H2 A2G 11 H2 A2G 11 -40.651 -91.732 -38.981 79 HN2 A2G 11 HN2 A2G 11 -40.705 -94.607 -39.685 80 H3 A2G 11 H3 A2G 11 -41.544 -93.081 -41.544 81 HO3 A2G 11 HO3 A2G 11 -42.914 -91.491 -39.636 82 H4 A2G 11 H4 A2G 11 -41.986 -90.842 -42.379 83 HO4 A2G 11 HO4 A2G 11 -40.952 -90.010 -39.873 84 H5 A2G 11 H5 A2G 11 -39.721 -91.707 -42.761 85 H6 A2G 11 H6 A2G 11 -39.745 -88.782 -41.945 86 H8 A2G 11 H8 A2G 11 -42.204 -95.591 -37.375 87 H8A A2G 11 H8A A2G 11 -40.843 -95.410 -36.269 88 H8B A2G 11 H8B A2G 11 -40.580 -96.043 -37.894 89 H14 A2G 11 H14 A2G 11 -38.525 -89.538 -42.971 90 H15 A2G 11 H15 A2G 11 -40.592 -88.434 -43.865 Start of MODEL 10 1 H1 ACE 1 H1 ACE 1 -46.765-100.433 -51.994 2 H2 ACE 1 H2 ACE 1 -46.438 -98.973 -52.928 3 H3 ACE 1 H3 ACE 1 -47.074 -98.847 -51.287 4 HA PRO 2 HA PRO 2 -42.450 -98.533 -51.069 5 HB2 PRO 2 HB2 PRO 2 -42.771 -96.131 -49.509 6 HB3 PRO 2 HB3 PRO 2 -42.088 -96.299 -51.133 7 HG2 PRO 2 HG2 PRO 2 -44.466 -95.038 -50.514 8 HG3 PRO 2 HG3 PRO 2 -43.991 -95.615 -52.117 9 HD2 PRO 2 HD2 PRO 2 -45.885 -96.833 -50.163 10 HD3 PRO 2 HD3 PRO 2 -45.885 -96.912 -51.940 11 H THR 3 H THR 3 -41.075 -98.367 -49.060 12 HA THR 3 HA THR 3 -42.432 -99.745 -46.859 13 HB THR 3 HB THR 3 -39.998-100.002 -46.053 14 HG21 THR 3 HG21 THR 3 -41.195-101.853 -47.075 15 HG22 THR 3 HG22 THR 3 -39.570-101.796 -47.756 16 HG23 THR 3 HG23 THR 3 -40.937-101.180 -48.683 17 H THR 4 H THR 4 -41.289 -99.173 -44.632 18 HA THR 4 HA THR 4 -41.874 -96.346 -44.189 19 HB THR 4 HB THR 4 -41.034 -97.844 -41.844 20 HG1 THR 4 HG1 THR 4 -43.402 -98.797 -42.974 21 HG21 THR 4 HG21 THR 4 -42.417 -95.728 -41.990 22 HG22 THR 4 HG22 THR 4 -43.105 -96.995 -40.973 23 HG23 THR 4 HG23 THR 4 -43.742 -96.723 -42.596 24 H THR 5 H THR 5 -40.367 -95.605 -42.124 25 HA THR 5 HA THR 5 -37.757 -95.241 -43.333 26 HB THR 5 HB THR 5 -37.610 -94.047 -40.868 27 HG21 THR 5 HG21 THR 5 -38.880 -92.935 -43.388 28 HG22 THR 5 HG22 THR 5 -37.148 -93.003 -43.058 29 HG23 THR 5 HG23 THR 5 -38.194 -91.977 -42.075 30 HA PRO 6 HA PRO 6 -35.532 -98.164 -40.929 31 HB2 PRO 6 HB2 PRO 6 -33.297 -96.435 -40.362 32 HB3 PRO 6 HB3 PRO 6 -33.436 -97.667 -41.626 33 HG2 PRO 6 HG2 PRO 6 -33.310 -94.939 -42.048 34 HG3 PRO 6 HG3 PRO 6 -33.896 -96.138 -43.209 35 HD2 PRO 6 HD2 PRO 6 -35.454 -94.268 -41.487 36 HD3 PRO 6 HD3 PRO 6 -35.856 -94.936 -43.085 37 H LEU 7 H LEU 7 -36.606 -98.512 -39.003 38 HA LEU 7 HA LEU 7 -37.420 -97.761 -36.856 39 HB2 LEU 7 HB2 LEU 7 -35.261 -99.487 -37.071 40 HB3 LEU 7 HB3 LEU 7 -34.734 -98.314 -35.862 41 HG LEU 7 HG LEU 7 -35.920-100.131 -34.748 42 HD11 LEU 7 HD11 LEU 7 -37.088 -98.741 -33.363 43 HD12 LEU 7 HD12 LEU 7 -38.046 -98.069 -34.684 44 HD13 LEU 7 HD13 LEU 7 -36.412 -97.475 -34.389 45 HD21 LEU 7 HD21 LEU 7 -38.579 -99.623 -35.778 46 HD22 LEU 7 HD22 LEU 7 -37.696-101.148 -35.697 47 HD23 LEU 7 HD23 LEU 7 -37.494-100.086 -37.090 48 H LYS 8 H LYS 8 -37.795 -95.659 -36.415 49 HA LYS 8 HA LYS 8 -37.356 -93.686 -35.249 50 HB2 LYS 8 HB2 LYS 8 -35.239 -95.069 -34.440 51 HB3 LYS 8 HB3 LYS 8 -34.401 -93.986 -35.552 52 HG2 LYS 8 HG2 LYS 8 -35.446 -92.041 -34.408 53 HG3 LYS 8 HG3 LYS 8 -36.205 -93.147 -33.262 54 HD2 LYS 8 HD2 LYS 8 -33.982 -93.951 -32.558 55 HD3 LYS 8 HD3 LYS 8 -33.219 -92.846 -33.701 56 HE2 LYS 8 HE2 LYS 8 -34.882 -92.119 -31.278 57 HE3 LYS 8 HE3 LYS 8 -33.176 -91.767 -31.552 58 HZ1 LYS 8 HZ1 LYS 8 -34.397 -89.811 -32.032 59 HZ2 LYS 8 HZ2 LYS 8 -35.503 -90.650 -33.010 60 HZ3 LYS 8 HZ3 LYS 8 -33.896 -90.450 -33.520 61 HN1 NH2 9 HN1 NH2 9 -36.196 -91.148 -36.826 62 HN2 NH2 9 HN2 NH2 9 -37.745 -91.787 -37.101 63 H1 A2G 10 H1 A2G 10 -38.396 -98.962 -46.021 64 H2 A2G 10 H2 A2G 10 -36.732 -97.377 -46.892 65 HN2 A2G 10 HN2 A2G 10 -39.490 -96.618 -47.660 66 H3 A2G 10 H3 A2G 10 -38.143 -97.739 -49.549 67 HO3 A2G 10 HO3 A2G 10 -37.159 -95.666 -48.948 68 H4 A2G 10 H4 A2G 10 -36.113 -98.847 -50.294 69 HO4 A2G 10 HO4 A2G 10 -34.714 -99.357 -48.249 70 H5 A2G 10 H5 A2G 10 -37.803-100.287 -49.246 71 H6 A2G 10 H6 A2G 10 -35.222-100.975 -49.711 72 H8 A2G 10 H8 A2G 10 -39.153 -93.734 -45.569 73 H8A A2G 10 H8A A2G 10 -40.362 -94.990 -45.836 74 H8B A2G 10 H8B A2G 10 -39.707 -94.092 -47.206 75 H14 A2G 10 H14 A2G 10 -35.326-101.350 -47.990 76 H15 A2G 10 H15 A2G 10 -36.753-102.878 -48.380 77 H1 A2G 11 H1 A2G 11 -38.824 -93.443 -39.285 78 H2 A2G 11 H2 A2G 11 -40.979 -92.859 -38.257 79 HN2 A2G 11 HN2 A2G 11 -41.043 -95.520 -39.554 80 H3 A2G 11 H3 A2G 11 -42.183 -93.649 -40.923 81 HO3 A2G 11 HO3 A2G 11 -43.416 -92.394 -38.719 82 H4 A2G 11 H4 A2G 11 -42.728 -91.296 -41.193 83 HO4 A2G 11 HO4 A2G 11 -42.737 -90.061 -39.519 84 H5 A2G 11 H5 A2G 11 -40.526 -91.994 -42.026 85 H6 A2G 11 H6 A2G 11 -40.557 -89.306 -40.621 86 H8 A2G 11 H8 A2G 11 -42.398 -97.029 -37.462 87 H8A A2G 11 H8A A2G 11 -41.011 -97.019 -36.373 88 H8B A2G 11 H8B A2G 11 -40.774 -97.290 -38.099 89 H14 A2G 11 H14 A2G 11 -39.336 -89.778 -41.803 90 H15 A2G 11 H15 A2G 11 -40.721 -89.493 -43.349 Start of MODEL 11 1 H1 ACE 1 H1 ACE 1 -45.604-101.765 -51.135 2 H2 ACE 1 H2 ACE 1 -44.201-102.209 -52.109 3 H3 ACE 1 H3 ACE 1 -45.293-100.938 -52.661 4 HA PRO 2 HA PRO 2 -43.196 -97.910 -50.215 5 HB2 PRO 2 HB2 PRO 2 -45.186 -97.239 -48.241 6 HB3 PRO 2 HB3 PRO 2 -44.815 -96.397 -49.752 7 HG2 PRO 2 HG2 PRO 2 -47.142 -97.785 -49.218 8 HG3 PRO 2 HG3 PRO 2 -46.555 -97.337 -50.825 9 HD2 PRO 2 HD2 PRO 2 -46.456 -99.984 -49.455 10 HD3 PRO 2 HD3 PRO 2 -46.563 -99.610 -51.190 11 H THR 3 H THR 3 -41.551 -98.163 -48.823 12 HA THR 3 HA THR 3 -41.861 -99.972 -46.540 13 HB THR 3 HB THR 3 -39.288 -99.408 -46.408 14 HG21 THR 3 HG21 THR 3 -40.734-101.126 -48.415 15 HG22 THR 3 HG22 THR 3 -39.891-101.618 -46.947 16 HG23 THR 3 HG23 THR 3 -38.972-101.099 -48.361 17 H THR 4 H THR 4 -40.551 -99.267 -44.534 18 HA THR 4 HA THR 4 -41.612 -96.674 -43.712 19 HB THR 4 HB THR 4 -40.033 -98.424 -41.878 20 HG1 THR 4 HG1 THR 4 -41.366-100.010 -42.095 21 HG21 THR 4 HG21 THR 4 -40.986 -96.308 -41.080 22 HG22 THR 4 HG22 THR 4 -41.792 -97.672 -40.305 23 HG23 THR 4 HG23 THR 4 -42.587 -96.811 -41.623 24 H THR 5 H THR 5 -39.394 -96.719 -41.596 25 HA THR 5 HA THR 5 -37.030 -95.987 -43.116 26 HB THR 5 HB THR 5 -37.280 -93.719 -41.574 27 HG21 THR 5 HG21 THR 5 -38.111 -94.174 -44.455 28 HG22 THR 5 HG22 THR 5 -36.483 -93.798 -43.887 29 HG23 THR 5 HG23 THR 5 -37.768 -92.598 -43.742 30 HA PRO 6 HA PRO 6 -35.053 -97.113 -39.362 31 HB2 PRO 6 HB2 PRO 6 -32.935 -95.169 -39.571 32 HB3 PRO 6 HB3 PRO 6 -32.902 -96.879 -40.024 33 HG2 PRO 6 HG2 PRO 6 -32.783 -94.750 -41.779 34 HG3 PRO 6 HG3 PRO 6 -33.205 -96.414 -42.203 35 HD2 PRO 6 HD2 PRO 6 -34.991 -94.055 -41.840 36 HD3 PRO 6 HD3 PRO 6 -35.190 -95.473 -42.893 37 H LEU 7 H LEU 7 -34.718 -96.544 -37.183 38 HA LEU 7 HA LEU 7 -34.630 -93.924 -36.162 39 HB2 LEU 7 HB2 LEU 7 -37.121 -94.356 -37.122 40 HB3 LEU 7 HB3 LEU 7 -37.311 -94.987 -35.485 41 HG LEU 7 HG LEU 7 -37.840 -92.580 -35.561 42 HD11 LEU 7 HD11 LEU 7 -35.231 -93.231 -34.153 43 HD12 LEU 7 HD12 LEU 7 -36.853 -93.489 -33.508 44 HD13 LEU 7 HD13 LEU 7 -36.264 -91.849 -33.783 45 HD21 LEU 7 HD21 LEU 7 -36.532 -91.051 -36.622 46 HD22 LEU 7 HD22 LEU 7 -35.813 -92.450 -37.419 47 HD23 LEU 7 HD23 LEU 7 -35.044 -91.755 -35.991 48 H LYS 8 H LYS 8 -36.705 -94.974 -34.041 49 HA LYS 8 HA LYS 8 -36.246 -95.672 -31.851 50 HB2 LYS 8 HB2 LYS 8 -35.840 -98.140 -33.558 51 HB3 LYS 8 HB3 LYS 8 -36.105 -98.158 -31.814 52 HG2 LYS 8 HG2 LYS 8 -38.298 -97.258 -32.031 53 HG3 LYS 8 HG3 LYS 8 -38.023 -96.795 -33.711 54 HD2 LYS 8 HD2 LYS 8 -37.641 -99.670 -33.123 55 HD3 LYS 8 HD3 LYS 8 -39.298 -99.086 -32.968 56 HE2 LYS 8 HE2 LYS 8 -39.324 -98.282 -35.223 57 HE3 LYS 8 HE3 LYS 8 -37.581 -98.500 -35.390 58 HZ1 LYS 8 HZ1 LYS 8 -37.844-100.852 -35.261 59 HZ2 LYS 8 HZ2 LYS 8 -38.923-100.275 -36.438 60 HZ3 LYS 8 HZ3 LYS 8 -39.495-100.715 -34.900 61 HN1 NH2 9 HN1 NH2 9 -33.998 -98.203 -32.733 62 HN2 NH2 9 HN2 NH2 9 -32.891 -97.589 -31.603 63 H1 A2G 10 H1 A2G 10 -38.013 -98.127 -46.944 64 H2 A2G 10 H2 A2G 10 -37.255 -96.164 -48.214 65 HN2 A2G 10 HN2 A2G 10 -40.199 -96.174 -47.889 66 H3 A2G 10 H3 A2G 10 -39.407 -96.931 -50.205 67 HO3 A2G 10 HO3 A2G 10 -37.653 -95.182 -51.109 68 H4 A2G 10 H4 A2G 10 -37.586 -97.462 -51.726 69 HO4 A2G 10 HO4 A2G 10 -36.038 -96.506 -49.578 70 H5 A2G 10 H5 A2G 10 -38.340 -99.288 -50.268 71 H6 A2G 10 H6 A2G 10 -36.019 -99.253 -51.683 72 H8 A2G 10 H8 A2G 10 -39.858 -93.343 -45.733 73 H8A A2G 10 H8A A2G 10 -40.597 -94.935 -45.554 74 H8B A2G 10 H8B A2G 10 -40.937 -93.961 -46.984 75 H14 A2G 10 H14 A2G 10 -35.398 -99.643 -50.079 76 H15 A2G 10 H15 A2G 10 -37.624-101.050 -50.563 77 H1 A2G 11 H1 A2G 11 -38.574 -92.440 -40.866 78 H2 A2G 11 H2 A2G 11 -40.780 -91.971 -39.888 79 HN2 A2G 11 HN2 A2G 11 -40.197 -94.871 -39.769 80 H3 A2G 11 H3 A2G 11 -41.767 -94.228 -41.652 81 HO3 A2G 11 HO3 A2G 11 -43.472 -94.118 -40.450 82 H4 A2G 11 H4 A2G 11 -42.980 -92.520 -42.884 83 HO4 A2G 11 HO4 A2G 11 -42.845 -90.393 -42.319 84 H5 A2G 11 H5 A2G 11 -40.692 -92.980 -43.647 85 H6 A2G 11 H6 A2G 11 -41.328 -90.010 -43.649 86 H8 A2G 11 H8 A2G 11 -40.806 -95.298 -36.937 87 H8A A2G 11 H8A A2G 11 -39.314 -94.534 -36.388 88 H8B A2G 11 H8B A2G 11 -39.293 -95.603 -37.790 89 H14 A2G 11 H14 A2G 11 -40.235 -90.824 -44.768 90 H15 A2G 11 H15 A2G 11 -42.980 -91.444 -44.431 Start of MODEL 12 1 H1 ACE 1 H1 ACE 1 -42.576-103.788 -51.688 2 H2 ACE 1 H2 ACE 1 -44.088-103.063 -52.236 3 H3 ACE 1 H3 ACE 1 -43.994-103.812 -50.641 4 HA PRO 2 HA PRO 2 -43.164 -99.275 -50.153 5 HB2 PRO 2 HB2 PRO 2 -45.166 -99.216 -48.080 6 HB3 PRO 2 HB3 PRO 2 -45.209 -98.433 -49.666 7 HG2 PRO 2 HG2 PRO 2 -46.820-100.529 -48.868 8 HG3 PRO 2 HG3 PRO 2 -46.518-100.037 -50.541 9 HD2 PRO 2 HD2 PRO 2 -45.372-102.331 -49.017 10 HD3 PRO 2 HD3 PRO 2 -45.693-102.176 -50.759 11 H THR 3 H THR 3 -42.149 -98.207 -48.380 12 HA THR 3 HA THR 3 -41.713 -99.740 -45.924 13 HB THR 3 HB THR 3 -39.178 -99.100 -46.249 14 HG21 THR 3 HG21 THR 3 -40.506-101.391 -47.727 15 HG22 THR 3 HG22 THR 3 -40.033-101.398 -46.028 16 HG23 THR 3 HG23 THR 3 -38.800-101.315 -47.287 17 H THR 4 H THR 4 -41.252 -98.473 -44.154 18 HA THR 4 HA THR 4 -41.698 -95.610 -44.507 19 HB THR 4 HB THR 4 -42.935 -96.824 -42.751 20 HG1 THR 4 HG1 THR 4 -42.790 -94.905 -41.931 21 HG21 THR 4 HG21 THR 4 -41.054 -98.464 -42.321 22 HG22 THR 4 HG22 THR 4 -41.809 -97.806 -40.870 23 HG23 THR 4 HG23 THR 4 -40.249 -97.188 -41.409 24 H THR 5 H THR 5 -40.372 -94.327 -42.661 25 HA THR 5 HA THR 5 -37.615 -94.473 -43.549 26 HB THR 5 HB THR 5 -37.373 -92.449 -42.042 27 HG21 THR 5 HG21 THR 5 -39.695 -92.181 -43.953 28 HG22 THR 5 HG22 THR 5 -38.049 -92.447 -44.525 29 HG23 THR 5 HG23 THR 5 -38.436 -91.000 -43.595 30 HA PRO 6 HA PRO 6 -35.701 -96.866 -40.441 31 HB2 PRO 6 HB2 PRO 6 -33.854 -94.822 -39.602 32 HB3 PRO 6 HB3 PRO 6 -33.546 -96.210 -40.656 33 HG2 PRO 6 HG2 PRO 6 -34.024 -93.416 -41.352 34 HG3 PRO 6 HG3 PRO 6 -33.293 -94.710 -42.311 35 HD2 PRO 6 HD2 PRO 6 -35.770 -93.669 -42.843 36 HD3 PRO 6 HD3 PRO 6 -35.311 -95.341 -43.242 37 H LEU 7 H LEU 7 -36.845 -97.243 -38.625 38 HA LEU 7 HA LEU 7 -38.109 -95.316 -37.029 39 HB2 LEU 7 HB2 LEU 7 -37.197 -97.887 -35.808 40 HB3 LEU 7 HB3 LEU 7 -38.758 -97.075 -35.683 41 HG LEU 7 HG LEU 7 -38.841 -97.572 -38.292 42 HD11 LEU 7 HD11 LEU 7 -37.466-100.088 -37.506 43 HD12 LEU 7 HD12 LEU 7 -36.430 -98.690 -37.791 44 HD13 LEU 7 HD13 LEU 7 -37.503 -99.266 -39.065 45 HD21 LEU 7 HD21 LEU 7 -39.722 -99.970 -37.526 46 HD22 LEU 7 HD22 LEU 7 -40.587 -98.499 -37.081 47 HD23 LEU 7 HD23 LEU 7 -39.508 -99.273 -35.920 48 H LYS 8 H LYS 8 -37.512 -95.640 -34.439 49 HA LYS 8 HA LYS 8 -36.195 -94.415 -32.940 50 HB2 LYS 8 HB2 LYS 8 -34.345 -96.610 -33.902 51 HB3 LYS 8 HB3 LYS 8 -34.173 -95.716 -32.392 52 HG2 LYS 8 HG2 LYS 8 -35.718 -96.999 -31.367 53 HG3 LYS 8 HG3 LYS 8 -36.867 -96.767 -32.686 54 HD2 LYS 8 HD2 LYS 8 -35.760 -98.531 -33.988 55 HD3 LYS 8 HD3 LYS 8 -34.567 -98.746 -32.705 56 HE2 LYS 8 HE2 LYS 8 -36.352-100.447 -32.551 57 HE3 LYS 8 HE3 LYS 8 -36.356 -99.392 -31.139 58 HZ1 LYS 8 HZ1 LYS 8 -38.041 -98.811 -33.493 59 HZ2 LYS 8 HZ2 LYS 8 -38.211 -98.246 -31.900 60 HZ3 LYS 8 HZ3 LYS 8 -38.570 -99.863 -32.273 61 HN1 NH2 9 HN1 NH2 9 -33.064 -94.132 -35.504 62 HN2 NH2 9 HN2 NH2 9 -32.931 -94.781 -33.942 63 H1 A2G 10 H1 A2G 10 -37.787 -98.479 -47.362 64 H2 A2G 10 H2 A2G 10 -37.206 -96.782 -49.041 65 HN2 A2G 10 HN2 A2G 10 -39.961 -96.428 -48.017 66 H3 A2G 10 H3 A2G 10 -39.838 -97.526 -50.346 67 HO3 A2G 10 HO3 A2G 10 -38.589 -95.309 -50.363 68 H4 A2G 10 H4 A2G 10 -38.500 -98.440 -52.155 69 HO4 A2G 10 HO4 A2G 10 -36.396 -97.418 -50.589 70 H5 A2G 10 H5 A2G 10 -39.020 -99.982 -50.317 71 H6 A2G 10 H6 A2G 10 -37.146-100.396 -52.228 72 H8 A2G 10 H8 A2G 10 -38.884 -93.361 -46.521 73 H8A A2G 10 H8A A2G 10 -39.812 -94.775 -46.020 74 H8B A2G 10 H8B A2G 10 -40.239 -93.919 -47.502 75 H14 A2G 10 H14 A2G 10 -36.157-100.632 -50.787 76 H15 A2G 10 H15 A2G 10 -38.606-101.829 -50.638 77 H1 A2G 11 H1 A2G 11 -38.019 -92.685 -39.935 78 H2 A2G 11 H2 A2G 11 -39.599 -91.813 -38.267 79 HN2 A2G 11 HN2 A2G 11 -40.833 -93.987 -39.856 80 H3 A2G 11 H3 A2G 11 -41.559 -91.652 -40.573 81 HO3 A2G 11 HO3 A2G 11 -42.930 -91.600 -39.009 82 H4 A2G 11 H4 A2G 11 -41.405 -89.240 -40.325 83 HO4 A2G 11 HO4 A2G 11 -39.893 -89.991 -38.107 84 H5 A2G 11 H5 A2G 11 -39.771 -90.274 -41.839 85 H6 A2G 11 H6 A2G 11 -38.583 -88.083 -40.105 86 H8 A2G 11 H8 A2G 11 -41.909 -95.576 -37.670 87 H8A A2G 11 H8A A2G 11 -40.337 -96.189 -37.157 88 H8B A2G 11 H8B A2G 11 -40.721 -96.074 -38.874 89 H14 A2G 11 H14 A2G 11 -37.986 -88.535 -41.701 90 H15 A2G 11 H15 A2G 11 -39.902 -87.890 -42.598 Start of MODEL 13 1 H1 ACE 1 H1 ACE 1 -48.073 -99.364 -51.046 2 H2 ACE 1 H2 ACE 1 -47.975 -99.114 -49.303 3 H3 ACE 1 H3 ACE 1 -48.160-100.744 -49.952 4 HA PRO 2 HA PRO 2 -43.653 -99.422 -50.956 5 HB2 PRO 2 HB2 PRO 2 -43.041 -96.965 -49.580 6 HB3 PRO 2 HB3 PRO 2 -43.093 -97.260 -51.324 7 HG2 PRO 2 HG2 PRO 2 -44.860 -95.676 -49.910 8 HG3 PRO 2 HG3 PRO 2 -45.139 -96.348 -51.522 9 HD2 PRO 2 HD2 PRO 2 -46.213 -97.256 -48.893 10 HD3 PRO 2 HD3 PRO 2 -46.937 -97.373 -50.513 11 H THR 3 H THR 3 -41.636 -98.454 -49.296 12 HA THR 3 HA THR 3 -41.894-100.274 -47.012 13 HB THR 3 HB THR 3 -39.430 -99.952 -46.813 14 HG21 THR 3 HG21 THR 3 -40.847-101.386 -48.726 15 HG22 THR 3 HG22 THR 3 -39.140-101.598 -48.337 16 HG23 THR 3 HG23 THR 3 -39.618-100.546 -49.670 17 H THR 4 H THR 4 -39.890 -99.046 -45.411 18 HA THR 4 HA THR 4 -40.906 -96.397 -44.722 19 HB THR 4 HB THR 4 -42.372 -98.054 -43.528 20 HG1 THR 4 HG1 THR 4 -41.545 -95.892 -42.724 21 HG21 THR 4 HG21 THR 4 -41.516 -99.708 -42.232 22 HG22 THR 4 HG22 THR 4 -40.246 -98.669 -41.585 23 HG23 THR 4 HG23 THR 4 -40.037 -99.444 -43.155 24 H THR 5 H THR 5 -39.674 -95.588 -42.699 25 HA THR 5 HA THR 5 -36.851 -95.960 -43.243 26 HB THR 5 HB THR 5 -37.049 -94.313 -41.022 27 HG21 THR 5 HG21 THR 5 -36.914 -92.474 -42.797 28 HG22 THR 5 HG22 THR 5 -37.065 -93.761 -43.996 29 HG23 THR 5 HG23 THR 5 -35.687 -93.738 -42.896 30 HA PRO 6 HA PRO 6 -35.903 -98.618 -39.876 31 HB2 PRO 6 HB2 PRO 6 -33.540 -97.200 -39.031 32 HB3 PRO 6 HB3 PRO 6 -33.647 -98.635 -40.063 33 HG2 PRO 6 HG2 PRO 6 -32.847 -96.123 -40.885 34 HG3 PRO 6 HG3 PRO 6 -33.394 -97.430 -41.944 35 HD2 PRO 6 HD2 PRO 6 -34.867 -95.001 -41.038 36 HD3 PRO 6 HD3 PRO 6 -35.026 -95.924 -42.550 37 H LEU 7 H LEU 7 -36.941 -98.717 -37.975 38 HA LEU 7 HA LEU 7 -38.190 -97.646 -36.225 39 HB2 LEU 7 HB2 LEU 7 -35.294 -98.072 -35.501 40 HB3 LEU 7 HB3 LEU 7 -36.490 -97.574 -34.303 41 HG LEU 7 HG LEU 7 -36.179-100.058 -34.409 42 HD11 LEU 7 HD11 LEU 7 -38.373-100.357 -33.881 43 HD12 LEU 7 HD12 LEU 7 -38.931 -99.714 -35.425 44 HD13 LEU 7 HD13 LEU 7 -38.485 -98.614 -34.122 45 HD21 LEU 7 HD21 LEU 7 -36.722-101.292 -36.338 46 HD22 LEU 7 HD22 LEU 7 -35.860 -99.901 -36.995 47 HD23 LEU 7 HD23 LEU 7 -37.622 -99.953 -37.053 48 H LYS 8 H LYS 8 -35.951 -96.104 -34.505 49 HA LYS 8 HA LYS 8 -37.047 -93.510 -35.009 50 HB2 LYS 8 HB2 LYS 8 -36.074 -94.504 -32.804 51 HB3 LYS 8 HB3 LYS 8 -34.521 -93.969 -33.450 52 HG2 LYS 8 HG2 LYS 8 -35.710 -91.699 -33.855 53 HG3 LYS 8 HG3 LYS 8 -36.930 -92.305 -32.735 54 HD2 LYS 8 HD2 LYS 8 -33.968 -91.993 -32.170 55 HD3 LYS 8 HD3 LYS 8 -35.273 -91.022 -31.488 56 HE2 LYS 8 HE2 LYS 8 -34.667 -93.940 -30.992 57 HE3 LYS 8 HE3 LYS 8 -34.767 -92.632 -29.812 58 HZ1 LYS 8 HZ1 LYS 8 -36.771 -93.819 -29.647 59 HZ2 LYS 8 HZ2 LYS 8 -36.976 -93.888 -31.332 60 HZ3 LYS 8 HZ3 LYS 8 -37.157 -92.411 -30.512 61 HN1 NH2 9 HN1 NH2 9 -33.909 -94.837 -36.679 62 HN2 NH2 9 HN2 NH2 9 -33.157 -93.735 -35.630 63 H1 A2G 10 H1 A2G 10 -38.493 -98.131 -46.554 64 H2 A2G 10 H2 A2G 10 -37.267 -96.194 -47.439 65 HN2 A2G 10 HN2 A2G 10 -40.120 -96.049 -48.214 66 H3 A2G 10 H3 A2G 10 -38.604 -96.865 -50.074 67 HO3 A2G 10 HO3 A2G 10 -38.046 -94.613 -49.367 68 H4 A2G 10 H4 A2G 10 -36.384 -97.460 -50.865 69 HO4 A2G 10 HO4 A2G 10 -35.536 -95.959 -49.024 70 H5 A2G 10 H5 A2G 10 -37.668 -99.262 -49.802 71 H6 A2G 10 H6 A2G 10 -34.878 -99.189 -50.117 72 H8 A2G 10 H8 A2G 10 -40.554 -93.509 -45.740 73 H8A A2G 10 H8A A2G 10 -41.407 -94.901 -46.404 74 H8B A2G 10 H8B A2G 10 -40.886 -93.597 -47.469 75 H14 A2G 10 H14 A2G 10 -35.135 -99.944 -48.545 76 H15 A2G 10 H15 A2G 10 -36.880-100.824 -50.439 77 H1 A2G 11 H1 A2G 11 -38.138 -92.892 -40.258 78 H2 A2G 11 H2 A2G 11 -40.373 -92.422 -39.351 79 HN2 A2G 11 HN2 A2G 11 -40.017 -95.272 -40.076 80 H3 A2G 11 H3 A2G 11 -41.401 -93.901 -41.789 81 HO3 A2G 11 HO3 A2G 11 -42.553 -92.762 -39.487 82 H4 A2G 11 H4 A2G 11 -42.265 -91.752 -42.527 83 HO4 A2G 11 HO4 A2G 11 -42.609 -90.818 -40.508 84 H5 A2G 11 H5 A2G 11 -39.972 -92.286 -43.221 85 H6 A2G 11 H6 A2G 11 -40.346 -89.394 -42.378 86 H8 A2G 11 H8 A2G 11 -41.238 -96.499 -37.703 87 H8A A2G 11 H8A A2G 11 -39.875 -96.081 -36.666 88 H8B A2G 11 H8B A2G 11 -39.589 -96.661 -38.307 89 H14 A2G 11 H14 A2G 11 -39.124 -89.950 -43.521 90 H15 A2G 11 H15 A2G 11 -41.708 -89.415 -43.949 Start of MODEL 14 1 H1 ACE 1 H1 ACE 1 -46.092-101.543 -51.655 2 H2 ACE 1 H2 ACE 1 -44.999-102.878 -52.022 3 H3 ACE 1 H3 ACE 1 -45.182-101.549 -53.166 4 HA PRO 2 HA PRO 2 -42.196 -99.113 -50.998 5 HB2 PRO 2 HB2 PRO 2 -43.810 -96.972 -49.939 6 HB3 PRO 2 HB3 PRO 2 -42.845 -96.987 -51.423 7 HG2 PRO 2 HG2 PRO 2 -45.603 -96.904 -51.301 8 HG3 PRO 2 HG3 PRO 2 -44.646 -97.371 -52.714 9 HD2 PRO 2 HD2 PRO 2 -46.128 -99.100 -50.787 10 HD3 PRO 2 HD3 PRO 2 -45.777 -99.367 -52.511 11 H THR 3 H THR 3 -41.123 -98.878 -49.048 12 HA THR 3 HA THR 3 -42.510 -99.933 -46.693 13 HB THR 3 HB THR 3 -40.134 -99.927 -45.746 14 HG21 THR 3 HG21 THR 3 -41.237-101.572 -47.952 15 HG22 THR 3 HG22 THR 3 -40.650-102.066 -46.363 16 HG23 THR 3 HG23 THR 3 -39.505-101.742 -47.665 17 H THR 4 H THR 4 -41.498 -98.901 -44.561 18 HA THR 4 HA THR 4 -42.286 -96.090 -44.653 19 HB THR 4 HB THR 4 -41.439 -97.164 -42.064 20 HG1 THR 4 HG1 THR 4 -42.347 -99.027 -42.321 21 HG21 THR 4 HG21 THR 4 -43.617 -96.267 -41.404 22 HG22 THR 4 HG22 THR 4 -44.074 -96.081 -43.098 23 HG23 THR 4 HG23 THR 4 -42.773 -95.099 -42.424 24 H THR 5 H THR 5 -40.932 -94.849 -42.754 25 HA THR 5 HA THR 5 -38.286 -94.560 -43.902 26 HB THR 5 HB THR 5 -38.112 -92.710 -42.168 27 HG21 THR 5 HG21 THR 5 -38.920 -92.412 -44.545 28 HG22 THR 5 HG22 THR 5 -39.561 -91.229 -43.404 29 HG23 THR 5 HG23 THR 5 -40.567 -92.576 -43.937 30 HA PRO 6 HA PRO 6 -35.799 -97.030 -41.297 31 HB2 PRO 6 HB2 PRO 6 -34.114 -94.877 -40.391 32 HB3 PRO 6 HB3 PRO 6 -33.765 -96.094 -41.629 33 HG2 PRO 6 HG2 PRO 6 -34.623 -93.320 -41.936 34 HG3 PRO 6 HG3 PRO 6 -33.857 -94.403 -43.107 35 HD2 PRO 6 HD2 PRO 6 -36.477 -93.623 -43.281 36 HD3 PRO 6 HD3 PRO 6 -35.880 -95.172 -43.918 37 H LEU 7 H LEU 7 -36.094 -97.750 -39.259 38 HA LEU 7 HA LEU 7 -37.752 -96.450 -37.409 39 HB2 LEU 7 HB2 LEU 7 -35.836 -98.757 -37.213 40 HB3 LEU 7 HB3 LEU 7 -36.656 -98.149 -35.775 41 HG LEU 7 HG LEU 7 -38.364 -98.586 -38.165 42 HD11 LEU 7 HD11 LEU 7 -38.543-101.049 -37.471 43 HD12 LEU 7 HD12 LEU 7 -37.010-100.812 -36.631 44 HD13 LEU 7 HD13 LEU 7 -37.101-100.595 -38.379 45 HD21 LEU 7 HD21 LEU 7 -38.651 -99.339 -35.238 46 HD22 LEU 7 HD22 LEU 7 -39.935 -99.326 -36.447 47 HD23 LEU 7 HD23 LEU 7 -39.191 -97.811 -35.933 48 H LYS 8 H LYS 8 -37.399 -94.911 -35.938 49 HA LYS 8 HA LYS 8 -36.251 -93.680 -34.322 50 HB2 LYS 8 HB2 LYS 8 -34.609 -95.762 -34.429 51 HB3 LYS 8 HB3 LYS 8 -33.585 -94.611 -35.288 52 HG2 LYS 8 HG2 LYS 8 -33.805 -93.016 -33.415 53 HG3 LYS 8 HG3 LYS 8 -34.819 -94.174 -32.551 54 HD2 LYS 8 HD2 LYS 8 -32.152 -95.110 -33.521 55 HD3 LYS 8 HD3 LYS 8 -32.191 -94.044 -32.116 56 HE2 LYS 8 HE2 LYS 8 -33.837 -96.575 -32.366 57 HE3 LYS 8 HE3 LYS 8 -32.292 -96.482 -31.521 58 HZ1 LYS 8 HZ1 LYS 8 -34.036 -96.201 -29.941 59 HZ2 LYS 8 HZ2 LYS 8 -34.774 -94.989 -30.876 60 HZ3 LYS 8 HZ3 LYS 8 -33.272 -94.699 -30.138 61 HN1 NH2 9 HN1 NH2 9 -34.702 -93.435 -37.803 62 HN2 NH2 9 HN2 NH2 9 -33.475 -92.677 -36.909 63 H1 A2G 10 H1 A2G 10 -38.660 -98.694 -45.757 64 H2 A2G 10 H2 A2G 10 -37.040 -97.134 -46.748 65 HN2 A2G 10 HN2 A2G 10 -39.777 -96.798 -47.824 66 H3 A2G 10 H3 A2G 10 -38.144 -98.069 -49.411 67 HO3 A2G 10 HO3 A2G 10 -36.921 -96.531 -50.229 68 H4 A2G 10 H4 A2G 10 -35.972 -99.098 -49.769 69 HO4 A2G 10 HO4 A2G 10 -34.654 -99.150 -47.694 70 H5 A2G 10 H5 A2G 10 -37.646-100.487 -48.631 71 H6 A2G 10 H6 A2G 10 -35.025-101.049 -48.782 72 H8 A2G 10 H8 A2G 10 -39.808 -93.512 -46.410 73 H8A A2G 10 H8A A2G 10 -40.883 -94.910 -46.434 74 H8B A2G 10 H8B A2G 10 -40.242 -94.264 -47.944 75 H14 A2G 10 H14 A2G 10 -35.192-101.049 -47.026 76 H15 A2G 10 H15 A2G 10 -36.088-102.917 -47.206 77 H1 A2G 11 H1 A2G 11 -38.553 -93.422 -40.090 78 H2 A2G 11 H2 A2G 11 -40.039 -93.006 -38.178 79 HN2 A2G 11 HN2 A2G 11 -41.235 -94.935 -40.081 80 H3 A2G 11 H3 A2G 11 -42.191 -92.563 -40.265 81 HO3 A2G 11 HO3 A2G 11 -43.444 -92.126 -38.466 82 H4 A2G 11 H4 A2G 11 -42.166 -90.236 -39.567 83 HO4 A2G 11 HO4 A2G 11 -41.535 -90.104 -37.548 84 H5 A2G 11 H5 A2G 11 -40.604 -90.839 -41.362 85 H6 A2G 11 H6 A2G 11 -39.380 -88.940 -39.333 86 H8 A2G 11 H8 A2G 11 -42.104 -96.955 -38.098 87 H8A A2G 11 H8A A2G 11 -40.457 -97.552 -37.895 88 H8B A2G 11 H8B A2G 11 -41.048 -97.127 -39.500 89 H14 A2G 11 H14 A2G 11 -38.951 -89.015 -41.042 90 H15 A2G 11 H15 A2G 11 -41.391 -88.749 -41.274 Start of MODEL 15 1 H1 ACE 1 H1 ACE 1 -47.622 -99.949 -51.491 2 H2 ACE 1 H2 ACE 1 -47.411-100.585 -49.859 3 H3 ACE 1 H3 ACE 1 -46.998-101.581 -51.255 4 HA PRO 2 HA PRO 2 -43.591 -98.206 -50.979 5 HB2 PRO 2 HB2 PRO 2 -43.863 -96.765 -48.499 6 HB3 PRO 2 HB3 PRO 2 -44.013 -96.144 -50.149 7 HG2 PRO 2 HG2 PRO 2 -46.074 -96.372 -48.325 8 HG3 PRO 2 HG3 PRO 2 -46.260 -96.197 -50.075 9 HD2 PRO 2 HD2 PRO 2 -46.523 -98.643 -48.389 10 HD3 PRO 2 HD3 PRO 2 -47.338 -98.226 -49.913 11 H THR 3 H THR 3 -41.734 -97.632 -49.208 12 HA THR 3 HA THR 3 -41.154-100.202 -47.923 13 HB THR 3 HB THR 3 -38.853 -99.218 -47.674 14 HG21 THR 3 HG21 THR 3 -39.385-100.614 -49.610 15 HG22 THR 3 HG22 THR 3 -38.349 -99.280 -50.113 16 HG23 THR 3 HG23 THR 3 -40.080 -99.226 -50.447 17 H THR 4 H THR 4 -39.339 -99.315 -45.992 18 HA THR 4 HA THR 4 -40.778 -97.513 -44.205 19 HB THR 4 HB THR 4 -40.050 -99.992 -42.826 20 HG1 THR 4 HG1 THR 4 -40.905-100.618 -44.986 21 HG21 THR 4 HG21 THR 4 -42.617 -98.392 -43.019 22 HG22 THR 4 HG22 THR 4 -41.334 -98.114 -41.841 23 HG23 THR 4 HG23 THR 4 -42.250 -99.621 -41.808 24 H THR 5 H THR 5 -39.423 -98.119 -41.866 25 HA THR 5 HA THR 5 -36.575 -98.227 -42.390 26 HB THR 5 HB THR 5 -36.232 -95.964 -41.255 27 HG21 THR 5 HG21 THR 5 -37.662 -95.694 -43.891 28 HG22 THR 5 HG22 THR 5 -36.119 -96.543 -43.790 29 HG23 THR 5 HG23 THR 5 -36.223 -94.845 -43.324 30 HA PRO 6 HA PRO 6 -36.602 -99.668 -38.242 31 HB2 PRO 6 HB2 PRO 6 -33.946 -98.712 -37.659 32 HB3 PRO 6 HB3 PRO 6 -34.445-100.345 -38.126 33 HG2 PRO 6 HG2 PRO 6 -32.933 -98.625 -39.671 34 HG3 PRO 6 HG3 PRO 6 -33.816-100.039 -40.264 35 HD2 PRO 6 HD2 PRO 6 -34.538 -97.151 -40.458 36 HD3 PRO 6 HD3 PRO 6 -34.928 -98.493 -41.558 37 H LEU 7 H LEU 7 -38.148 -98.190 -37.350 38 HA LEU 7 HA LEU 7 -38.716 -96.048 -36.396 39 HB2 LEU 7 HB2 LEU 7 -37.467 -98.042 -34.557 40 HB3 LEU 7 HB3 LEU 7 -37.884 -96.454 -33.911 41 HG LEU 7 HG LEU 7 -39.918 -97.864 -35.589 42 HD11 LEU 7 HD11 LEU 7 -40.744 -99.073 -33.594 43 HD12 LEU 7 HD12 LEU 7 -39.338 -98.522 -32.684 44 HD13 LEU 7 HD13 LEU 7 -39.129 -99.618 -34.050 45 HD21 LEU 7 HD21 LEU 7 -40.060 -96.170 -33.072 46 HD22 LEU 7 HD22 LEU 7 -41.438 -96.709 -34.033 47 HD23 LEU 7 HD23 LEU 7 -40.278 -95.569 -34.716 48 H LYS 8 H LYS 8 -37.563 -94.357 -37.312 49 HA LYS 8 HA LYS 8 -35.744 -92.917 -37.640 50 HB2 LYS 8 HB2 LYS 8 -36.274 -92.825 -34.660 51 HB3 LYS 8 HB3 LYS 8 -35.374 -91.604 -35.561 52 HG2 LYS 8 HG2 LYS 8 -37.418 -91.360 -37.052 53 HG3 LYS 8 HG3 LYS 8 -38.287 -92.358 -35.886 54 HD2 LYS 8 HD2 LYS 8 -38.747 -90.359 -34.889 55 HD3 LYS 8 HD3 LYS 8 -37.123 -90.538 -34.223 56 HE2 LYS 8 HE2 LYS 8 -37.208 -88.349 -35.191 57 HE3 LYS 8 HE3 LYS 8 -36.270 -89.343 -36.304 58 HZ1 LYS 8 HZ1 LYS 8 -38.807 -89.714 -37.153 59 HZ2 LYS 8 HZ2 LYS 8 -37.700 -88.619 -37.832 60 HZ3 LYS 8 HZ3 LYS 8 -38.829 -88.085 -36.679 61 HN1 NH2 9 HN1 NH2 9 -34.619 -94.281 -34.396 62 HN2 NH2 9 HN2 NH2 9 -33.088 -93.741 -34.892 63 H1 A2G 10 H1 A2G 10 -38.370 -97.440 -46.812 64 H2 A2G 10 H2 A2G 10 -37.941 -95.022 -46.880 65 HN2 A2G 10 HN2 A2G 10 -40.807 -95.625 -47.323 66 H3 A2G 10 H3 A2G 10 -39.519 -95.065 -49.467 67 HO3 A2G 10 HO3 A2G 10 -39.594 -93.193 -48.019 68 H4 A2G 10 H4 A2G 10 -37.420 -94.530 -50.569 69 HO4 A2G 10 HO4 A2G 10 -35.912 -93.691 -49.410 70 H5 A2G 10 H5 A2G 10 -37.907 -96.919 -50.279 71 H6 A2G 10 H6 A2G 10 -35.490 -95.873 -50.932 72 H8 A2G 10 H8 A2G 10 -41.475 -94.246 -44.091 73 H8A A2G 10 H8A A2G 10 -41.896 -95.710 -44.979 74 H8B A2G 10 H8B A2G 10 -42.162 -94.128 -45.710 75 H14 A2G 10 H14 A2G 10 -35.027 -96.865 -49.548 76 H15 A2G 10 H15 A2G 10 -34.973 -98.019 -51.533 77 H1 A2G 11 H1 A2G 11 -37.461 -95.260 -39.589 78 H2 A2G 11 H2 A2G 11 -39.161 -93.614 -38.925 79 HN2 A2G 11 HN2 A2G 11 -40.349 -96.062 -40.094 80 H3 A2G 11 H3 A2G 11 -40.292 -94.032 -41.706 81 HO3 A2G 11 HO3 A2G 11 -41.437 -93.330 -39.507 82 H4 A2G 11 H4 A2G 11 -39.593 -91.749 -42.159 83 HO4 A2G 11 HO4 A2G 11 -39.770 -91.230 -39.810 84 H5 A2G 11 H5 A2G 11 -37.929 -93.495 -42.617 85 H6 A2G 11 H6 A2G 11 -36.668 -91.072 -41.292 86 H8 A2G 11 H8 A2G 11 -42.465 -96.559 -38.427 87 H8A A2G 11 H8A A2G 11 -41.673 -96.837 -36.877 88 H8B A2G 11 H8B A2G 11 -41.050 -97.607 -38.336 89 H14 A2G 11 H14 A2G 11 -35.897 -92.115 -42.487 90 H15 A2G 11 H15 A2G 11 -37.039 -90.052 -43.160 Start of MODEL 16 1 H1 ACE 1 H1 ACE 1 -45.546-102.800 -52.252 2 H2 ACE 1 H2 ACE 1 -45.530-103.420 -50.602 3 H3 ACE 1 H3 ACE 1 -44.336-103.988 -51.768 4 HA PRO 2 HA PRO 2 -43.087 -99.480 -50.681 5 HB2 PRO 2 HB2 PRO 2 -44.686 -98.548 -48.464 6 HB3 PRO 2 HB3 PRO 2 -44.630 -97.915 -50.112 7 HG2 PRO 2 HG2 PRO 2 -46.774 -99.218 -48.966 8 HG3 PRO 2 HG3 PRO 2 -46.512 -98.995 -50.701 9 HD2 PRO 2 HD2 PRO 2 -46.080-101.428 -49.029 10 HD3 PRO 2 HD3 PRO 2 -46.535-101.298 -50.743 11 H THR 3 H THR 3 -42.473 -98.271 -48.326 12 HA THR 3 HA THR 3 -41.716-100.328 -46.384 13 HB THR 3 HB THR 3 -39.349 -99.616 -46.423 14 HG21 THR 3 HG21 THR 3 -38.730-100.823 -48.392 15 HG22 THR 3 HG22 THR 3 -40.232-100.390 -49.211 16 HG23 THR 3 HG23 THR 3 -40.258-101.522 -47.858 17 H THR 4 H THR 4 -39.812 -98.647 -45.065 18 HA THR 4 HA THR 4 -41.241 -96.210 -44.346 19 HB THR 4 HB THR 4 -40.556 -97.875 -42.002 20 HG1 THR 4 HG1 THR 4 -42.680 -98.463 -43.780 21 HG21 THR 4 HG21 THR 4 -43.000 -96.251 -42.763 22 HG22 THR 4 HG22 THR 4 -41.602 -95.617 -41.895 23 HG23 THR 4 HG23 THR 4 -42.608 -96.861 -41.155 24 H THR 5 H THR 5 -40.004 -95.017 -42.567 25 HA THR 5 HA THR 5 -37.209 -94.972 -43.333 26 HB THR 5 HB THR 5 -37.451 -93.147 -41.299 27 HG21 THR 5 HG21 THR 5 -37.729 -91.494 -43.115 28 HG22 THR 5 HG22 THR 5 -38.200 -92.787 -44.218 29 HG23 THR 5 HG23 THR 5 -36.561 -92.736 -43.568 30 HA PRO 6 HA PRO 6 -35.576 -97.118 -39.860 31 HB2 PRO 6 HB2 PRO 6 -33.429 -95.273 -39.323 32 HB3 PRO 6 HB3 PRO 6 -33.367 -96.793 -40.229 33 HG2 PRO 6 HG2 PRO 6 -33.052 -94.266 -41.302 34 HG3 PRO 6 HG3 PRO 6 -33.438 -95.735 -42.210 35 HD2 PRO 6 HD2 PRO 6 -35.235 -93.503 -41.391 36 HD3 PRO 6 HD3 PRO 6 -35.335 -94.582 -42.800 37 H LEU 7 H LEU 7 -37.110 -96.899 -38.222 38 HA LEU 7 HA LEU 7 -37.601 -94.594 -36.699 39 HB2 LEU 7 HB2 LEU 7 -38.217 -96.540 -34.938 40 HB3 LEU 7 HB3 LEU 7 -39.253 -96.116 -36.301 41 HG LEU 7 HG LEU 7 -37.057 -98.116 -36.714 42 HD11 LEU 7 HD11 LEU 7 -38.678 -99.913 -36.083 43 HD12 LEU 7 HD12 LEU 7 -39.756 -98.670 -35.446 44 HD13 LEU 7 HD13 LEU 7 -38.175 -98.930 -34.707 45 HD21 LEU 7 HD21 LEU 7 -38.847 -97.010 -38.398 46 HD22 LEU 7 HD22 LEU 7 -39.817 -98.361 -37.813 47 HD23 LEU 7 HD23 LEU 7 -38.266 -98.663 -38.595 48 H LYS 8 H LYS 8 -37.261 -94.779 -34.157 49 HA LYS 8 HA LYS 8 -35.575 -94.109 -32.666 50 HB2 LYS 8 HB2 LYS 8 -34.426 -96.173 -31.814 51 HB3 LYS 8 HB3 LYS 8 -36.180 -96.324 -31.931 52 HG2 LYS 8 HG2 LYS 8 -36.009 -97.554 -34.000 53 HG3 LYS 8 HG3 LYS 8 -34.275 -97.241 -34.101 54 HD2 LYS 8 HD2 LYS 8 -35.598 -98.794 -31.857 55 HD3 LYS 8 HD3 LYS 8 -34.815 -99.537 -33.251 56 HE2 LYS 8 HE2 LYS 8 -32.866 -97.812 -32.435 57 HE3 LYS 8 HE3 LYS 8 -33.610 -98.226 -30.890 58 HZ1 LYS 8 HZ1 LYS 8 -32.341-100.014 -32.866 59 HZ2 LYS 8 HZ2 LYS 8 -33.457-100.618 -31.736 60 HZ3 LYS 8 HZ3 LYS 8 -32.026 -99.871 -31.205 61 HN1 NH2 9 HN1 NH2 9 -33.584 -94.122 -35.814 62 HN2 NH2 9 HN2 NH2 9 -34.047 -92.863 -34.772 63 H1 A2G 10 H1 A2G 10 -38.595 -97.671 -46.292 64 H2 A2G 10 H2 A2G 10 -37.654 -95.678 -47.385 65 HN2 A2G 10 HN2 A2G 10 -40.592 -95.855 -47.721 66 H3 A2G 10 H3 A2G 10 -39.247 -96.569 -49.805 67 HO3 A2G 10 HO3 A2G 10 -38.702 -94.234 -49.164 68 H4 A2G 10 H4 A2G 10 -37.100 -97.009 -50.855 69 HO4 A2G 10 HO4 A2G 10 -35.203 -96.707 -49.726 70 H5 A2G 10 H5 A2G 10 -38.067 -98.868 -49.580 71 H6 A2G 10 H6 A2G 10 -35.499 -98.721 -50.424 72 H8 A2G 10 H8 A2G 10 -40.880 -92.917 -45.699 73 H8A A2G 10 H8A A2G 10 -41.648 -94.503 -45.764 74 H8B A2G 10 H8B A2G 10 -41.535 -93.517 -47.222 75 H14 A2G 10 H14 A2G 10 -35.227 -99.028 -48.709 76 H15 A2G 10 H15 A2G 10 -36.566-100.847 -48.882 77 H1 A2G 11 H1 A2G 11 -38.876 -92.076 -40.240 78 H2 A2G 11 H2 A2G 11 -41.179 -91.305 -39.797 79 HN2 A2G 11 HN2 A2G 11 -41.086 -94.238 -40.176 80 H3 A2G 11 H3 A2G 11 -41.875 -92.964 -42.239 81 HO3 A2G 11 HO3 A2G 11 -43.312 -91.755 -40.196 82 H4 A2G 11 H4 A2G 11 -42.426 -90.841 -43.296 83 HO4 A2G 11 HO4 A2G 11 -41.289 -89.202 -41.482 84 H5 A2G 11 H5 A2G 11 -40.101 -91.577 -43.527 85 H6 A2G 11 H6 A2G 11 -40.393 -88.611 -42.960 86 H8 A2G 11 H8 A2G 11 -42.230 -95.135 -37.866 87 H8A A2G 11 H8A A2G 11 -41.071 -94.638 -36.633 88 H8B A2G 11 H8B A2G 11 -40.507 -95.426 -38.105 89 H14 A2G 11 H14 A2G 11 -39.014 -89.328 -43.793 90 H15 A2G 11 H15 A2G 11 -40.837 -88.496 -45.110 Start of MODEL 17 1 H1 ACE 1 H1 ACE 1 -41.597-100.936 -53.045 2 H2 ACE 1 H2 ACE 1 -43.251-100.411 -53.364 3 H3 ACE 1 H3 ACE 1 -42.955-101.870 -52.418 4 HA PRO 2 HA PRO 2 -43.621 -97.803 -49.869 5 HB2 PRO 2 HB2 PRO 2 -45.471 -99.374 -48.320 6 HB3 PRO 2 HB3 PRO 2 -45.810 -97.950 -49.314 7 HG2 PRO 2 HG2 PRO 2 -46.218-100.776 -49.915 8 HG3 PRO 2 HG3 PRO 2 -46.923 -99.345 -50.680 9 HD2 PRO 2 HD2 PRO 2 -45.053-100.940 -51.901 10 HD3 PRO 2 HD3 PRO 2 -45.255 -99.214 -52.271 11 H THR 3 H THR 3 -42.198 -97.551 -48.251 12 HA THR 3 HA THR 3 -41.756 -99.717 -46.333 13 HB THR 3 HB THR 3 -39.200 -99.152 -46.629 14 HG21 THR 3 HG21 THR 3 -40.737-100.866 -48.605 15 HG22 THR 3 HG22 THR 3 -40.220-101.370 -46.996 16 HG23 THR 3 HG23 THR 3 -39.019-101.017 -48.238 17 H THR 4 H THR 4 -41.227 -99.003 -44.313 18 HA THR 4 HA THR 4 -41.422 -96.124 -43.866 19 HB THR 4 HB THR 4 -42.765 -97.616 -42.460 20 HG1 THR 4 HG1 THR 4 -41.952 -95.705 -41.537 21 HG21 THR 4 HG21 THR 4 -40.459 -99.219 -42.522 22 HG22 THR 4 HG22 THR 4 -41.946 -99.538 -41.628 23 HG23 THR 4 HG23 THR 4 -40.611 -98.689 -40.847 24 H THR 5 H THR 5 -39.977 -95.503 -41.789 25 HA THR 5 HA THR 5 -37.243 -95.654 -42.748 26 HB THR 5 HB THR 5 -37.146 -94.306 -40.351 27 HG21 THR 5 HG21 THR 5 -37.237 -92.271 -41.730 28 HG22 THR 5 HG22 THR 5 -37.949 -93.192 -43.054 29 HG23 THR 5 HG23 THR 5 -36.297 -93.523 -42.537 30 HA PRO 6 HA PRO 6 -35.794 -98.724 -39.957 31 HB2 PRO 6 HB2 PRO 6 -33.409 -97.329 -39.131 32 HB3 PRO 6 HB3 PRO 6 -33.570 -98.600 -40.352 33 HG2 PRO 6 HG2 PRO 6 -32.956 -95.948 -40.848 34 HG3 PRO 6 HG3 PRO 6 -33.538 -97.119 -42.041 35 HD2 PRO 6 HD2 PRO 6 -35.016 -94.926 -40.684 36 HD3 PRO 6 HD3 PRO 6 -35.298 -95.661 -42.278 37 H LEU 7 H LEU 7 -37.275 -98.683 -38.249 38 HA LEU 7 HA LEU 7 -38.209 -97.652 -36.275 39 HB2 LEU 7 HB2 LEU 7 -36.524 -99.844 -36.103 40 HB3 LEU 7 HB3 LEU 7 -35.915 -98.762 -34.850 41 HG LEU 7 HG LEU 7 -37.656-100.178 -33.898 42 HD11 LEU 7 HD11 LEU 7 -37.540 -97.469 -33.674 43 HD12 LEU 7 HD12 LEU 7 -38.659 -98.475 -32.752 44 HD13 LEU 7 HD13 LEU 7 -39.204 -97.671 -34.224 45 HD21 LEU 7 HD21 LEU 7 -39.931 -99.125 -35.349 46 HD22 LEU 7 HD22 LEU 7 -39.462-100.807 -35.097 47 HD23 LEU 7 HD23 LEU 7 -38.806 -99.903 -36.462 48 H LYS 8 H LYS 8 -38.135 -95.495 -35.939 49 HA LYS 8 HA LYS 8 -36.072 -94.411 -34.281 50 HB2 LYS 8 HB2 LYS 8 -34.879 -94.332 -36.432 51 HB3 LYS 8 HB3 LYS 8 -36.209 -93.413 -37.136 52 HG2 LYS 8 HG2 LYS 8 -35.449 -91.488 -36.244 53 HG3 LYS 8 HG3 LYS 8 -35.317 -92.216 -34.644 54 HD2 LYS 8 HD2 LYS 8 -33.281 -92.664 -36.839 55 HD3 LYS 8 HD3 LYS 8 -33.124 -91.401 -35.618 56 HE2 LYS 8 HE2 LYS 8 -32.415 -92.880 -34.071 57 HE3 LYS 8 HE3 LYS 8 -33.771 -93.959 -34.400 58 HZ1 LYS 8 HZ1 LYS 8 -32.530 -95.234 -35.723 59 HZ2 LYS 8 HZ2 LYS 8 -31.192 -94.477 -35.000 60 HZ3 LYS 8 HZ3 LYS 8 -31.790 -93.911 -36.486 61 HN1 NH2 9 HN1 NH2 9 -38.677 -94.294 -33.520 62 HN2 NH2 9 HN2 NH2 9 -39.621 -93.112 -34.290 63 H1 A2G 10 H1 A2G 10 -37.834 -98.284 -47.601 64 H2 A2G 10 H2 A2G 10 -37.268 -96.194 -48.784 65 HN2 A2G 10 HN2 A2G 10 -39.908 -96.109 -47.444 66 H3 A2G 10 H3 A2G 10 -40.022 -96.475 -50.019 67 HO3 A2G 10 HO3 A2G 10 -38.848 -94.700 -51.296 68 H4 A2G 10 H4 A2G 10 -38.875 -96.876 -52.116 69 HO4 A2G 10 HO4 A2G 10 -36.814 -95.851 -50.742 70 H5 A2G 10 H5 A2G 10 -39.275 -98.878 -50.771 71 H6 A2G 10 H6 A2G 10 -37.569 -98.745 -52.852 72 H8 A2G 10 H8 A2G 10 -38.621 -93.531 -45.324 73 H8A A2G 10 H8A A2G 10 -39.514 -95.037 -45.114 74 H8B A2G 10 H8B A2G 10 -40.085 -93.825 -46.262 75 H14 A2G 10 H14 A2G 10 -36.453 -99.330 -51.618 76 H15 A2G 10 H15 A2G 10 -37.534-101.154 -51.462 77 H1 A2G 11 H1 A2G 11 -38.400 -93.444 -38.947 78 H2 A2G 11 H2 A2G 11 -40.507 -92.446 -38.184 79 HN2 A2G 11 HN2 A2G 11 -40.974 -95.102 -39.406 80 H3 A2G 11 H3 A2G 11 -41.554 -93.137 -40.941 81 HO3 A2G 11 HO3 A2G 11 -42.981 -93.197 -39.062 82 H4 A2G 11 H4 A2G 11 -41.641 -90.734 -41.323 83 HO4 A2G 11 HO4 A2G 11 -41.861 -90.369 -38.948 84 H5 A2G 11 H5 A2G 11 -39.536 -91.862 -41.905 85 H6 A2G 11 H6 A2G 11 -39.080 -89.180 -40.555 86 H8 A2G 11 H8 A2G 11 -42.820 -96.093 -37.237 87 H8A A2G 11 H8A A2G 11 -41.411 -96.508 -36.260 88 H8B A2G 11 H8B A2G 11 -41.395 -96.797 -38.000 89 H14 A2G 11 H14 A2G 11 -38.026 -89.906 -41.768 90 H15 A2G 11 H15 A2G 11 -40.313 -88.515 -42.094 Start of MODEL 18 1 H1 ACE 1 H1 ACE 1 -45.858-101.223 -51.777 2 H2 ACE 1 H2 ACE 1 -44.733-102.489 -52.268 3 H3 ACE 1 H3 ACE 1 -44.974-101.077 -53.297 4 HA PRO 2 HA PRO 2 -42.024 -98.738 -50.977 5 HB2 PRO 2 HB2 PRO 2 -43.682 -96.741 -49.725 6 HB3 PRO 2 HB3 PRO 2 -42.742 -96.605 -51.219 7 HG2 PRO 2 HG2 PRO 2 -45.499 -96.614 -51.053 8 HG3 PRO 2 HG3 PRO 2 -44.551 -96.937 -52.511 9 HD2 PRO 2 HD2 PRO 2 -45.951 -98.860 -50.714 10 HD3 PRO 2 HD3 PRO 2 -45.620 -98.975 -52.457 11 H THR 3 H THR 3 -40.935 -98.590 -49.021 12 HA THR 3 HA THR 3 -42.234 -99.907 -46.749 13 HB THR 3 HB THR 3 -39.816 -99.776 -45.835 14 HG21 THR 3 HG21 THR 3 -40.629-101.370 -48.274 15 HG22 THR 3 HG22 THR 3 -40.664-101.881 -46.585 16 HG23 THR 3 HG23 THR 3 -39.120-101.663 -47.410 17 H THR 4 H THR 4 -41.258 -99.002 -44.547 18 HA THR 4 HA THR 4 -42.195 -96.240 -44.398 19 HB THR 4 HB THR 4 -41.311 -97.307 -41.874 20 HG1 THR 4 HG1 THR 4 -42.026 -99.267 -41.966 21 HG21 THR 4 HG21 THR 4 -44.107 -96.852 -42.942 22 HG22 THR 4 HG22 THR 4 -43.064 -95.562 -42.344 23 HG23 THR 4 HG23 THR 4 -43.598 -96.840 -41.254 24 H THR 5 H THR 5 -40.877 -95.124 -42.375 25 HA THR 5 HA THR 5 -38.276 -94.566 -43.526 26 HB THR 5 HB THR 5 -38.378 -93.124 -41.199 27 HG21 THR 5 HG21 THR 5 -39.670 -92.436 -43.856 28 HG22 THR 5 HG22 THR 5 -37.959 -92.251 -43.470 29 HG23 THR 5 HG23 THR 5 -39.164 -91.274 -42.631 30 HA PRO 6 HA PRO 6 -35.837 -96.939 -40.747 31 HB2 PRO 6 HB2 PRO 6 -33.858 -94.896 -40.276 32 HB3 PRO 6 HB3 PRO 6 -33.783 -96.255 -41.408 33 HG2 PRO 6 HG2 PRO 6 -33.964 -93.588 -42.107 34 HG3 PRO 6 HG3 PRO 6 -34.341 -94.959 -43.160 35 HD2 PRO 6 HD2 PRO 6 -36.199 -93.138 -41.705 36 HD3 PRO 6 HD3 PRO 6 -36.434 -94.005 -43.239 37 H LEU 7 H LEU 7 -37.127 -97.130 -38.889 38 HA LEU 7 HA LEU 7 -37.567 -95.151 -36.955 39 HB2 LEU 7 HB2 LEU 7 -38.132 -97.022 -35.446 40 HB3 LEU 7 HB3 LEU 7 -38.863 -97.229 -37.038 41 HG LEU 7 HG LEU 7 -36.191 -98.451 -36.335 42 HD11 LEU 7 HD11 LEU 7 -38.898 -99.246 -35.504 43 HD12 LEU 7 HD12 LEU 7 -37.333 -99.771 -34.884 44 HD13 LEU 7 HD13 LEU 7 -38.006-100.523 -36.331 45 HD21 LEU 7 HD21 LEU 7 -38.119 -98.524 -38.597 46 HD22 LEU 7 HD22 LEU 7 -37.373-100.063 -38.163 47 HD23 LEU 7 HD23 LEU 7 -36.363 -98.687 -38.610 48 H LYS 8 H LYS 8 -36.792 -95.808 -34.536 49 HA LYS 8 HA LYS 8 -34.054 -96.589 -34.281 50 HB2 LYS 8 HB2 LYS 8 -33.897 -94.269 -35.320 51 HB3 LYS 8 HB3 LYS 8 -34.582 -93.653 -33.815 52 HG2 LYS 8 HG2 LYS 8 -32.437 -93.582 -33.083 53 HG3 LYS 8 HG3 LYS 8 -32.593 -95.330 -32.904 54 HD2 LYS 8 HD2 LYS 8 -31.788 -95.608 -35.248 55 HD3 LYS 8 HD3 LYS 8 -31.541 -93.863 -35.341 56 HE2 LYS 8 HE2 LYS 8 -30.298 -94.805 -32.945 57 HE3 LYS 8 HE3 LYS 8 -29.770 -95.834 -34.276 58 HZ1 LYS 8 HZ1 LYS 8 -29.127 -93.105 -33.729 59 HZ2 LYS 8 HZ2 LYS 8 -29.711 -93.312 -35.311 60 HZ3 LYS 8 HZ3 LYS 8 -28.368 -94.202 -34.774 61 HN1 NH2 9 HN1 NH2 9 -36.438 -95.013 -31.360 62 HN2 NH2 9 HN2 NH2 9 -37.108 -95.628 -32.793 63 H1 A2G 10 H1 A2G 10 -38.314 -98.603 -45.893 64 H2 A2G 10 H2 A2G 10 -36.802 -96.948 -46.900 65 HN2 A2G 10 HN2 A2G 10 -39.593 -96.548 -47.804 66 H3 A2G 10 H3 A2G 10 -38.106 -97.722 -49.524 67 HO3 A2G 10 HO3 A2G 10 -36.921 -96.136 -50.343 68 H4 A2G 10 H4 A2G 10 -35.956 -98.682 -50.125 69 HO4 A2G 10 HO4 A2G 10 -34.788 -98.680 -47.710 70 H5 A2G 10 H5 A2G 10 -37.514-100.177 -48.957 71 H6 A2G 10 H6 A2G 10 -34.846-100.617 -49.294 72 H8 A2G 10 H8 A2G 10 -39.636 -93.500 -45.932 73 H8A A2G 10 H8A A2G 10 -40.703 -94.888 -46.144 74 H8B A2G 10 H8B A2G 10 -40.078 -94.032 -47.553 75 H14 A2G 10 H14 A2G 10 -34.994-100.870 -47.555 76 H15 A2G 10 H15 A2G 10 -35.442-102.803 -48.492 77 H1 A2G 11 H1 A2G 11 -39.686 -92.400 -39.794 78 H2 A2G 11 H2 A2G 11 -41.905 -92.127 -38.774 79 HN2 A2G 11 HN2 A2G 11 -41.535 -94.913 -39.707 80 H3 A2G 11 H3 A2G 11 -42.945 -93.500 -41.268 81 HO3 A2G 11 HO3 A2G 11 -44.826 -93.462 -40.259 82 H4 A2G 11 H4 A2G 11 -43.963 -91.364 -41.825 83 HO4 A2G 11 HO4 A2G 11 -43.363 -90.860 -39.249 84 H5 A2G 11 H5 A2G 11 -41.672 -91.711 -42.638 85 H6 A2G 11 H6 A2G 11 -42.130 -88.903 -41.577 86 H8 A2G 11 H8 A2G 11 -42.332 -96.292 -37.276 87 H8A A2G 11 H8A A2G 11 -40.855 -95.899 -36.398 88 H8B A2G 11 H8B A2G 11 -40.772 -96.380 -38.093 89 H14 A2G 11 H14 A2G 11 -40.990 -89.332 -42.851 90 H15 A2G 11 H15 A2G 11 -43.790 -89.330 -42.877 Start of MODEL 19 1 H1 ACE 1 H1 ACE 1 -44.577 -99.994 -54.469 2 H2 ACE 1 H2 ACE 1 -45.418-100.783 -53.133 3 H3 ACE 1 H3 ACE 1 -44.040-101.574 -53.898 4 HA PRO 2 HA PRO 2 -42.228 -97.934 -51.340 5 HB2 PRO 2 HB2 PRO 2 -44.290 -96.814 -49.668 6 HB3 PRO 2 HB3 PRO 2 -43.394 -96.029 -50.977 7 HG2 PRO 2 HG2 PRO 2 -46.082 -96.660 -51.025 8 HG3 PRO 2 HG3 PRO 2 -45.078 -96.310 -52.440 9 HD2 PRO 2 HD2 PRO 2 -46.033 -98.942 -51.414 10 HD3 PRO 2 HD3 PRO 2 -45.675 -98.439 -53.082 11 H THR 3 H THR 3 -42.107 -97.394 -48.778 12 HA THR 3 HA THR 3 -42.976 -99.696 -47.192 13 HB THR 3 HB THR 3 -40.577 -99.883 -46.300 14 HG21 THR 3 HG21 THR 3 -41.742-101.504 -47.870 15 HG22 THR 3 HG22 THR 3 -39.983-101.483 -47.991 16 HG23 THR 3 HG23 THR 3 -40.961-100.654 -49.203 17 H THR 4 H THR 4 -40.508 -98.506 -45.517 18 HA THR 4 HA THR 4 -41.751 -96.057 -44.535 19 HB THR 4 HB THR 4 -41.292 -98.380 -42.652 20 HG1 THR 4 HG1 THR 4 -43.736 -98.044 -42.611 21 HG21 THR 4 HG21 THR 4 -41.171 -96.507 -41.314 22 HG22 THR 4 HG22 THR 4 -42.920 -96.724 -41.344 23 HG23 THR 4 HG23 THR 4 -42.162 -95.535 -42.402 24 H THR 5 H THR 5 -40.403 -95.349 -42.471 25 HA THR 5 HA THR 5 -37.656 -95.201 -43.381 26 HB THR 5 HB THR 5 -37.528 -93.810 -41.146 27 HG21 THR 5 HG21 THR 5 -38.264 -91.860 -42.370 28 HG22 THR 5 HG22 THR 5 -39.250 -92.850 -43.446 29 HG23 THR 5 HG23 THR 5 -37.493 -92.958 -43.514 30 HA PRO 6 HA PRO 6 -35.936 -98.206 -40.667 31 HB2 PRO 6 HB2 PRO 6 -33.566 -96.666 -40.094 32 HB3 PRO 6 HB3 PRO 6 -33.766 -97.977 -41.267 33 HG2 PRO 6 HG2 PRO 6 -33.333 -95.322 -41.888 34 HG3 PRO 6 HG3 PRO 6 -33.987 -96.545 -42.987 35 HD2 PRO 6 HD2 PRO 6 -35.419 -94.393 -41.501 36 HD3 PRO 6 HD3 PRO 6 -35.807 -95.139 -43.067 37 H LEU 7 H LEU 7 -37.662 -97.560 -39.013 38 HA LEU 7 HA LEU 7 -38.210 -96.376 -36.982 39 HB2 LEU 7 HB2 LEU 7 -38.113 -98.730 -36.523 40 HB3 LEU 7 HB3 LEU 7 -36.350 -98.700 -36.455 41 HG LEU 7 HG LEU 7 -36.374 -97.365 -34.451 42 HD11 LEU 7 HD11 LEU 7 -39.305 -97.090 -35.097 43 HD12 LEU 7 HD12 LEU 7 -38.130 -95.821 -34.755 44 HD13 LEU 7 HD13 LEU 7 -38.721 -96.851 -33.450 45 HD21 LEU 7 HD21 LEU 7 -36.743 -99.773 -34.136 46 HD22 LEU 7 HD22 LEU 7 -38.483 -99.540 -34.290 47 HD23 LEU 7 HD23 LEU 7 -37.618 -98.857 -32.912 48 H LYS 8 H LYS 8 -37.373 -94.319 -36.805 49 HA LYS 8 HA LYS 8 -35.747 -92.675 -36.440 50 HB2 LYS 8 HB2 LYS 8 -36.836 -93.310 -34.237 51 HB3 LYS 8 HB3 LYS 8 -35.410 -94.296 -33.913 52 HG2 LYS 8 HG2 LYS 8 -34.314 -91.889 -34.723 53 HG3 LYS 8 HG3 LYS 8 -35.725 -91.383 -33.794 54 HD2 LYS 8 HD2 LYS 8 -34.956 -93.004 -31.983 55 HD3 LYS 8 HD3 LYS 8 -33.442 -93.147 -32.879 56 HE2 LYS 8 HE2 LYS 8 -33.205 -91.435 -31.151 57 HE3 LYS 8 HE3 LYS 8 -33.164 -90.676 -32.742 58 HZ1 LYS 8 HZ1 LYS 8 -34.628 -89.589 -31.028 59 HZ2 LYS 8 HZ2 LYS 8 -35.656 -90.936 -31.164 60 HZ3 LYS 8 HZ3 LYS 8 -35.368 -89.943 -32.513 61 HN1 NH2 9 HN1 NH2 9 -33.652 -93.414 -38.024 62 HN2 NH2 9 HN2 NH2 9 -33.474 -95.082 -37.768 63 H1 A2G 10 H1 A2G 10 -38.861 -98.717 -46.104 64 H2 A2G 10 H2 A2G 10 -36.925 -97.530 -47.045 65 HN2 A2G 10 HN2 A2G 10 -39.451 -96.161 -47.760 66 H3 A2G 10 H3 A2G 10 -38.481 -97.570 -49.645 67 HO3 A2G 10 HO3 A2G 10 -35.883 -96.959 -49.804 68 H4 A2G 10 H4 A2G 10 -36.769 -99.092 -50.459 69 HO4 A2G 10 HO4 A2G 10 -35.140 -98.196 -49.009 70 H5 A2G 10 H5 A2G 10 -38.692-100.131 -49.339 71 H6 A2G 10 H6 A2G 10 -36.295-101.346 -49.855 72 H8 A2G 10 H8 A2G 10 -38.495 -93.506 -45.560 73 H8A A2G 10 H8A A2G 10 -39.959 -94.432 -45.887 74 H8B A2G 10 H8B A2G 10 -39.081 -93.673 -47.215 75 H14 A2G 10 H14 A2G 10 -36.517-101.747 -48.151 76 H15 A2G 10 H15 A2G 10 -38.079-103.035 -48.669 77 H1 A2G 11 H1 A2G 11 -38.532 -93.768 -39.348 78 H2 A2G 11 H2 A2G 11 -40.504 -93.276 -37.971 79 HN2 A2G 11 HN2 A2G 11 -41.038 -95.594 -39.734 80 H3 A2G 11 H3 A2G 11 -42.056 -93.428 -40.570 81 HO3 A2G 11 HO3 A2G 11 -43.278 -94.100 -38.858 82 H4 A2G 11 H4 A2G 11 -42.422 -91.040 -40.305 83 HO4 A2G 11 HO4 A2G 11 -40.621 -90.515 -38.397 84 H5 A2G 11 H5 A2G 11 -40.392 -91.690 -41.525 85 H6 A2G 11 H6 A2G 11 -39.913 -89.373 -39.621 86 H8 A2G 11 H8 A2G 11 -42.045 -97.433 -37.717 87 H8A A2G 11 H8A A2G 11 -40.456 -97.756 -37.020 88 H8B A2G 11 H8B A2G 11 -40.649 -97.657 -38.771 89 H14 A2G 11 H14 A2G 11 -39.054 -89.640 -41.137 90 H15 A2G 11 H15 A2G 11 -41.454 -88.508 -40.719 Start of MODEL 20 1 H1 ACE 1 H1 ACE 1 -44.863-103.783 -50.406 2 H2 ACE 1 H2 ACE 1 -43.459-104.207 -51.386 3 H3 ACE 1 H3 ACE 1 -44.738-103.201 -52.066 4 HA PRO 2 HA PRO 2 -42.966 -99.552 -50.309 5 HB2 PRO 2 HB2 PRO 2 -44.939 -98.805 -48.345 6 HB3 PRO 2 HB3 PRO 2 -44.754 -98.199 -49.997 7 HG2 PRO 2 HG2 PRO 2 -46.845 -99.757 -49.081 8 HG3 PRO 2 HG3 PRO 2 -46.395 -99.525 -50.777 9 HD2 PRO 2 HD2 PRO 2 -45.874-101.858 -48.994 10 HD3 PRO 2 HD3 PRO 2 -46.110-101.809 -50.756 11 H THR 3 H THR 3 -42.176 -98.334 -48.328 12 HA THR 3 HA THR 3 -41.916 -99.976 -45.917 13 HB THR 3 HB THR 3 -39.461 -99.759 -45.908 14 HG21 THR 3 HG21 THR 3 -39.003-101.450 -47.539 15 HG22 THR 3 HG22 THR 3 -40.353-100.933 -48.550 16 HG23 THR 3 HG23 THR 3 -40.661-101.724 -47.004 17 H THR 4 H THR 4 -41.004 -98.773 -44.107 18 HA THR 4 HA THR 4 -41.839 -95.979 -44.199 19 HB THR 4 HB THR 4 -40.742 -96.815 -41.662 20 HG1 THR 4 HG1 THR 4 -41.860 -98.617 -41.323 21 HG21 THR 4 HG21 THR 4 -43.031 -96.250 -40.921 22 HG22 THR 4 HG22 THR 4 -43.552 -96.181 -42.605 23 HG23 THR 4 HG23 THR 4 -42.382 -95.011 -41.995 24 H THR 5 H THR 5 -40.245 -94.838 -42.282 25 HA THR 5 HA THR 5 -37.819 -94.351 -43.791 26 HB THR 5 HB THR 5 -37.658 -92.950 -41.377 27 HG21 THR 5 HG21 THR 5 -38.903 -92.098 -44.009 28 HG22 THR 5 HG22 THR 5 -37.174 -92.111 -43.662 29 HG23 THR 5 HG23 THR 5 -38.242 -91.020 -42.779 30 HA PRO 6 HA PRO 6 -35.084 -96.798 -41.394 31 HB2 PRO 6 HB2 PRO 6 -32.971 -94.840 -41.290 32 HB3 PRO 6 HB3 PRO 6 -33.138 -96.214 -42.394 33 HG2 PRO 6 HG2 PRO 6 -33.319 -93.551 -43.106 34 HG3 PRO 6 HG3 PRO 6 -33.920 -94.917 -44.057 35 HD2 PRO 6 HD2 PRO 6 -35.438 -92.997 -42.354 36 HD3 PRO 6 HD3 PRO 6 -35.957 -93.872 -43.813 37 H LEU 7 H LEU 7 -36.909 -95.299 -39.761 38 HA LEU 7 HA LEU 7 -35.700 -93.845 -37.689 39 HB2 LEU 7 HB2 LEU 7 -38.212 -94.204 -38.235 40 HB3 LEU 7 HB3 LEU 7 -38.065 -95.643 -37.224 41 HG LEU 7 HG LEU 7 -36.814 -93.781 -35.665 42 HD11 LEU 7 HD11 LEU 7 -37.926 -91.697 -35.759 43 HD12 LEU 7 HD12 LEU 7 -39.216 -92.333 -36.779 44 HD13 LEU 7 HD13 LEU 7 -37.605 -92.078 -37.450 45 HD21 LEU 7 HD21 LEU 7 -38.550 -95.377 -34.950 46 HD22 LEU 7 HD22 LEU 7 -39.782 -94.412 -35.764 47 HD23 LEU 7 HD23 LEU 7 -38.927 -93.754 -34.368 48 H LYS 8 H LYS 8 -36.878 -95.568 -35.517 49 HA LYS 8 HA LYS 8 -34.448 -96.875 -34.757 50 HB2 LYS 8 HB2 LYS 8 -36.079 -95.840 -33.155 51 HB3 LYS 8 HB3 LYS 8 -37.185 -97.168 -33.503 52 HG2 LYS 8 HG2 LYS 8 -35.923 -97.714 -31.497 53 HG3 LYS 8 HG3 LYS 8 -35.394 -98.774 -32.804 54 HD2 LYS 8 HD2 LYS 8 -33.320 -97.814 -32.926 55 HD3 LYS 8 HD3 LYS 8 -33.930 -96.204 -32.541 56 HE2 LYS 8 HE2 LYS 8 -33.710 -98.453 -30.522 57 HE3 LYS 8 HE3 LYS 8 -32.489 -97.198 -30.734 58 HZ1 LYS 8 HZ1 LYS 8 -33.694 -95.811 -29.525 59 HZ2 LYS 8 HZ2 LYS 8 -34.792 -97.067 -29.201 60 HZ3 LYS 8 HZ3 LYS 8 -35.049 -96.029 -30.521 61 HN1 NH2 9 HN1 NH2 9 -36.813 -99.373 -33.936 62 HN2 NH2 9 HN2 NH2 9 -37.485 -99.420 -35.495 63 H1 A2G 10 H1 A2G 10 -38.292 -98.155 -46.072 64 H2 A2G 10 H2 A2G 10 -37.113 -96.377 -47.292 65 HN2 A2G 10 HN2 A2G 10 -40.041 -96.198 -47.693 66 H3 A2G 10 H3 A2G 10 -38.787 -97.238 -49.666 67 HO3 A2G 10 HO3 A2G 10 -36.622 -95.431 -49.570 68 H4 A2G 10 H4 A2G 10 -36.705 -98.015 -50.650 69 HO4 A2G 10 HO4 A2G 10 -35.259 -97.782 -48.319 70 H5 A2G 10 H5 A2G 10 -37.913 -99.640 -49.260 71 H6 A2G 10 H6 A2G 10 -35.317 -99.857 -50.060 72 H8 A2G 10 H8 A2G 10 -39.998 -93.175 -45.780 73 H8A A2G 10 H8A A2G 10 -40.976 -94.641 -45.836 74 H8B A2G 10 H8B A2G 10 -40.668 -93.729 -47.314 75 H14 A2G 10 H14 A2G 10 -35.142-100.136 -48.326 76 H15 A2G 10 H15 A2G 10 -37.008-101.463 -49.997 77 H1 A2G 11 H1 A2G 11 -38.952 -92.402 -39.838 78 H2 A2G 11 H2 A2G 11 -41.149 -91.778 -38.931 79 HN2 A2G 11 HN2 A2G 11 -41.271 -94.465 -40.169 80 H3 A2G 11 H3 A2G 11 -42.228 -92.630 -41.632 81 HO3 A2G 11 HO3 A2G 11 -43.815 -92.960 -40.242 82 H4 A2G 11 H4 A2G 11 -42.742 -90.281 -41.988 83 HO4 A2G 11 HO4 A2G 11 -42.564 -88.845 -40.439 84 H5 A2G 11 H5 A2G 11 -40.508 -91.014 -42.694 85 H6 A2G 11 H6 A2G 11 -40.446 -88.304 -41.323 86 H8 A2G 11 H8 A2G 11 -42.547 -95.879 -37.945 87 H8A A2G 11 H8A A2G 11 -41.070 -95.922 -36.981 88 H8B A2G 11 H8B A2G 11 -40.999 -96.222 -38.717 89 H14 A2G 11 H14 A2G 11 -39.356 -88.828 -42.608 90 H15 A2G 11 H15 A2G 11 -42.169 -88.811 -42.881 Start of MODEL 21 1 H1 ACE 1 H1 ACE 1 -46.954 -99.571 -51.258 2 H2 ACE 1 H2 ACE 1 -46.576-101.236 -51.700 3 H3 ACE 1 H3 ACE 1 -46.170 -99.918 -52.799 4 HA PRO 2 HA PRO 2 -42.115 -99.247 -51.298 5 HB2 PRO 2 HB2 PRO 2 -42.531 -96.716 -49.987 6 HB3 PRO 2 HB3 PRO 2 -41.798 -97.022 -51.570 7 HG2 PRO 2 HG2 PRO 2 -44.499 -96.128 -50.911 8 HG3 PRO 2 HG3 PRO 2 -43.615 -96.023 -52.440 9 HD2 PRO 2 HD2 PRO 2 -45.733 -97.715 -52.050 10 HD3 PRO 2 HD3 PRO 2 -44.417 -98.054 -53.196 11 H THR 3 H THR 3 -40.839 -98.678 -49.227 12 HA THR 3 HA THR 3 -42.178-100.001 -46.981 13 HB THR 3 HB THR 3 -39.810 -99.962 -46.020 14 HG21 THR 3 HG21 THR 3 -40.242-102.059 -46.838 15 HG22 THR 3 HG22 THR 3 -39.072-101.572 -48.065 16 HG23 THR 3 HG23 THR 3 -40.800-101.447 -48.395 17 H THR 4 H THR 4 -41.279 -99.117 -44.757 18 HA THR 4 HA THR 4 -42.166 -96.337 -44.625 19 HB THR 4 HB THR 4 -43.067 -98.047 -43.049 20 HG1 THR 4 HG1 THR 4 -43.054 -95.901 -42.410 21 HG21 THR 4 HG21 THR 4 -40.523 -98.974 -42.913 22 HG22 THR 4 HG22 THR 4 -41.737 -99.292 -41.673 23 HG23 THR 4 HG23 THR 4 -40.572 -97.987 -41.451 24 H THR 5 H THR 5 -40.889 -95.309 -42.499 25 HA THR 5 HA THR 5 -38.252 -94.754 -43.571 26 HB THR 5 HB THR 5 -38.464 -93.433 -41.134 27 HG21 THR 5 HG21 THR 5 -39.192 -91.500 -42.652 28 HG22 THR 5 HG22 THR 5 -39.182 -92.672 -43.970 29 HG23 THR 5 HG23 THR 5 -37.694 -92.317 -43.094 30 HA PRO 6 HA PRO 6 -35.915 -97.247 -40.809 31 HB2 PRO 6 HB2 PRO 6 -33.934 -95.244 -40.201 32 HB3 PRO 6 HB3 PRO 6 -33.836 -96.558 -41.382 33 HG2 PRO 6 HG2 PRO 6 -33.972 -93.865 -41.983 34 HG3 PRO 6 HG3 PRO 6 -34.329 -95.192 -43.099 35 HD2 PRO 6 HD2 PRO 6 -36.216 -93.409 -41.631 36 HD3 PRO 6 HD3 PRO 6 -36.412 -94.215 -43.205 37 H LEU 7 H LEU 7 -36.508 -97.800 -38.797 38 HA LEU 7 HA LEU 7 -37.564 -96.057 -36.872 39 HB2 LEU 7 HB2 LEU 7 -37.401 -98.764 -37.123 40 HB3 LEU 7 HB3 LEU 7 -36.233 -98.476 -35.833 41 HG LEU 7 HG LEU 7 -39.103 -97.495 -35.872 42 HD11 LEU 7 HD11 LEU 7 -39.559 -99.542 -35.044 43 HD12 LEU 7 HD12 LEU 7 -38.596 -99.109 -33.631 44 HD13 LEU 7 HD13 LEU 7 -37.846 -99.958 -34.984 45 HD21 LEU 7 HD21 LEU 7 -38.326 -97.109 -33.352 46 HD22 LEU 7 HD22 LEU 7 -38.042 -95.883 -34.588 47 HD23 LEU 7 HD23 LEU 7 -36.740 -96.973 -34.110 48 H LYS 8 H LYS 8 -36.696 -94.868 -35.257 49 HA LYS 8 HA LYS 8 -35.099 -94.121 -33.728 50 HB2 LYS 8 HB2 LYS 8 -34.070 -96.525 -34.188 51 HB3 LYS 8 HB3 LYS 8 -32.885 -95.584 -35.093 52 HG2 LYS 8 HG2 LYS 8 -32.623 -94.118 -33.050 53 HG3 LYS 8 HG3 LYS 8 -33.619 -95.280 -32.172 54 HD2 LYS 8 HD2 LYS 8 -32.008 -97.076 -32.750 55 HD3 LYS 8 HD3 LYS 8 -30.997 -95.887 -33.571 56 HE2 LYS 8 HE2 LYS 8 -30.006 -95.966 -31.458 57 HE3 LYS 8 HE3 LYS 8 -31.118 -94.609 -31.280 58 HZ1 LYS 8 HZ1 LYS 8 -32.234 -95.699 -29.727 59 HZ2 LYS 8 HZ2 LYS 8 -31.041 -96.908 -29.759 60 HZ3 LYS 8 HZ3 LYS 8 -32.431 -97.057 -30.724 61 HN1 NH2 9 HN1 NH2 9 -34.774 -91.739 -34.594 62 HN2 NH2 9 HN2 NH2 9 -33.098 -91.770 -34.856 63 H1 A2G 10 H1 A2G 10 -38.397 -98.635 -45.914 64 H2 A2G 10 H2 A2G 10 -36.784 -96.995 -46.779 65 HN2 A2G 10 HN2 A2G 10 -39.473 -96.585 -47.950 66 H3 A2G 10 H3 A2G 10 -37.832 -97.777 -49.512 67 HO3 A2G 10 HO3 A2G 10 -35.584 -96.199 -48.924 68 H4 A2G 10 H4 A2G 10 -35.640 -98.753 -49.897 69 HO4 A2G 10 HO4 A2G 10 -34.237 -98.888 -47.998 70 H5 A2G 10 H5 A2G 10 -37.312-100.232 -48.877 71 H6 A2G 10 H6 A2G 10 -34.639-100.700 -48.966 72 H8 A2G 10 H8 A2G 10 -39.698 -93.546 -46.077 73 H8A A2G 10 H8A A2G 10 -40.721 -94.969 -46.289 74 H8B A2G 10 H8B A2G 10 -40.073 -94.131 -47.699 75 H14 A2G 10 H14 A2G 10 -34.930-100.915 -47.240 76 H15 A2G 10 H15 A2G 10 -35.747-102.438 -49.383 77 H1 A2G 11 H1 A2G 11 -39.833 -92.447 -40.005 78 H2 A2G 11 H2 A2G 11 -42.087 -92.297 -39.039 79 HN2 A2G 11 HN2 A2G 11 -41.447 -95.073 -39.845 80 H3 A2G 11 H3 A2G 11 -42.972 -93.844 -41.489 81 HO3 A2G 11 HO3 A2G 11 -44.566 -94.274 -40.219 82 H4 A2G 11 H4 A2G 11 -44.130 -91.814 -42.155 83 HO4 A2G 11 HO4 A2G 11 -42.868 -90.342 -40.150 84 H5 A2G 11 H5 A2G 11 -41.803 -92.025 -42.912 85 H6 A2G 11 H6 A2G 11 -42.542 -89.228 -41.991 86 H8 A2G 11 H8 A2G 11 -42.296 -96.449 -37.427 87 H8A A2G 11 H8A A2G 11 -40.928 -95.892 -36.463 88 H8B A2G 11 H8B A2G 11 -40.678 -96.415 -38.129 89 H14 A2G 11 H14 A2G 11 -41.276 -89.589 -43.165 90 H15 A2G 11 H15 A2G 11 -42.766 -89.727 -44.609 Start of MODEL 22 1 H1 ACE 1 H1 ACE 1 -43.373 -96.629 -50.863 2 H2 ACE 1 H2 ACE 1 -44.116 -95.827 -49.479 3 H3 ACE 1 H3 ACE 1 -45.129 -96.584 -50.709 4 HA PRO 2 HA PRO 2 -44.732-100.538 -48.772 5 HB2 PRO 2 HB2 PRO 2 -43.188-102.012 -50.708 6 HB3 PRO 2 HB3 PRO 2 -44.945-101.990 -50.495 7 HG2 PRO 2 HG2 PRO 2 -43.576-100.946 -52.655 8 HG3 PRO 2 HG3 PRO 2 -45.238-100.548 -52.196 9 HD2 PRO 2 HD2 PRO 2 -42.742 -98.968 -51.785 10 HD3 PRO 2 HD3 PRO 2 -44.413 -98.405 -52.016 11 H THR 3 H THR 3 -42.406 -98.689 -48.345 12 HA THR 3 HA THR 3 -40.645-100.654 -47.076 13 HB THR 3 HB THR 3 -38.634 -99.367 -47.936 14 HG21 THR 3 HG21 THR 3 -39.404-101.585 -48.841 15 HG22 THR 3 HG22 THR 3 -38.560-100.590 -50.028 16 HG23 THR 3 HG23 THR 3 -40.319-100.709 -50.068 17 H THR 4 H THR 4 -41.250 -99.967 -45.052 18 HA THR 4 HA THR 4 -41.177 -97.129 -44.392 19 HB THR 4 HB THR 4 -41.562 -99.303 -42.365 20 HG1 THR 4 HG1 THR 4 -43.740 -99.383 -43.005 21 HG21 THR 4 HG21 THR 4 -43.089 -97.646 -41.407 22 HG22 THR 4 HG22 THR 4 -42.857 -96.599 -42.807 23 HG23 THR 4 HG23 THR 4 -41.515 -96.910 -41.707 24 H THR 5 H THR 5 -39.786 -96.208 -42.860 25 HA THR 5 HA THR 5 -37.151 -97.422 -42.767 26 HB THR 5 HB THR 5 -36.515 -95.278 -41.649 27 HG21 THR 5 HG21 THR 5 -36.665 -93.974 -43.623 28 HG22 THR 5 HG22 THR 5 -38.197 -94.711 -44.090 29 HG23 THR 5 HG23 THR 5 -36.702 -95.641 -44.197 30 HA PRO 6 HA PRO 6 -37.371 -98.987 -38.677 31 HB2 PRO 6 HB2 PRO 6 -34.701 -98.185 -37.946 32 HB3 PRO 6 HB3 PRO 6 -35.254 -99.770 -38.506 33 HG2 PRO 6 HG2 PRO 6 -33.602 -98.058 -39.910 34 HG3 PRO 6 HG3 PRO 6 -34.524 -99.401 -40.601 35 HD2 PRO 6 HD2 PRO 6 -35.104 -96.478 -40.693 36 HD3 PRO 6 HD3 PRO 6 -35.509 -97.750 -41.867 37 H LEU 7 H LEU 7 -37.609 -98.445 -36.474 38 HA LEU 7 HA LEU 7 -38.450 -95.839 -35.886 39 HB2 LEU 7 HB2 LEU 7 -37.589 -98.092 -34.061 40 HB3 LEU 7 HB3 LEU 7 -38.333 -96.598 -33.490 41 HG LEU 7 HG LEU 7 -39.705 -98.060 -35.701 42 HD11 LEU 7 HD11 LEU 7 -40.853 -99.520 -34.063 43 HD12 LEU 7 HD12 LEU 7 -39.786 -98.923 -32.793 44 HD13 LEU 7 HD13 LEU 7 -39.124 -99.864 -34.129 45 HD21 LEU 7 HD21 LEU 7 -40.437 -95.852 -34.662 46 HD22 LEU 7 HD22 LEU 7 -40.783 -96.756 -33.188 47 HD23 LEU 7 HD23 LEU 7 -41.662 -97.121 -34.672 48 H LYS 8 H LYS 8 -37.157 -94.108 -35.988 49 HA LYS 8 HA LYS 8 -35.153 -92.897 -35.936 50 HB2 LYS 8 HB2 LYS 8 -36.466 -92.772 -33.676 51 HB3 LYS 8 HB3 LYS 8 -35.110 -93.709 -33.049 52 HG2 LYS 8 HG2 LYS 8 -33.539 -91.999 -33.898 53 HG3 LYS 8 HG3 LYS 8 -34.901 -91.054 -34.501 54 HD2 LYS 8 HD2 LYS 8 -35.283 -91.784 -31.713 55 HD3 LYS 8 HD3 LYS 8 -33.776 -90.897 -31.942 56 HE2 LYS 8 HE2 LYS 8 -34.923 -89.065 -33.001 57 HE3 LYS 8 HE3 LYS 8 -36.429 -89.980 -33.078 58 HZ1 LYS 8 HZ1 LYS 8 -36.897 -88.985 -31.154 59 HZ2 LYS 8 HZ2 LYS 8 -35.289 -88.504 -30.891 60 HZ3 LYS 8 HZ3 LYS 8 -35.793 -90.065 -30.452 61 HN1 NH2 9 HN1 NH2 9 -33.279 -94.669 -33.337 62 HN2 NH2 9 HN2 NH2 9 -32.230 -93.912 -34.438 63 H1 A2G 10 H1 A2G 10 -38.448 -97.386 -48.041 64 H2 A2G 10 H2 A2G 10 -38.789 -95.170 -49.047 65 HN2 A2G 10 HN2 A2G 10 -41.350 -96.458 -48.300 66 H3 A2G 10 H3 A2G 10 -40.815 -96.563 -50.821 67 HO3 A2G 10 HO3 A2G 10 -40.963 -94.514 -51.740 68 H4 A2G 10 H4 A2G 10 -39.272 -96.131 -52.648 69 HO4 A2G 10 HO4 A2G 10 -37.050 -95.462 -51.566 70 H5 A2G 10 H5 A2G 10 -38.943 -98.241 -51.437 71 H6 A2G 10 H6 A2G 10 -37.152 -97.097 -53.133 72 H8 A2G 10 H8 A2G 10 -41.784 -93.895 -45.841 73 H8A A2G 10 H8A A2G 10 -41.960 -95.648 -45.931 74 H8B A2G 10 H8B A2G 10 -42.753 -94.619 -47.123 75 H14 A2G 10 H14 A2G 10 -36.123 -97.355 -51.723 76 H15 A2G 10 H15 A2G 10 -36.650 -99.124 -53.461 77 H1 A2G 11 H1 A2G 11 -37.445 -94.613 -39.816 78 H2 A2G 11 H2 A2G 11 -38.905 -92.935 -38.773 79 HN2 A2G 11 HN2 A2G 11 -40.525 -95.083 -40.009 80 H3 A2G 11 H3 A2G 11 -40.410 -92.972 -41.404 81 HO3 A2G 11 HO3 A2G 11 -40.707 -91.536 -38.979 82 H4 A2G 11 H4 A2G 11 -39.588 -90.706 -41.721 83 HO4 A2G 11 HO4 A2G 11 -38.717 -91.118 -39.116 84 H5 A2G 11 H5 A2G 11 -38.145 -92.504 -42.567 85 H6 A2G 11 H6 A2G 11 -36.557 -90.308 -41.197 86 H8 A2G 11 H8 A2G 11 -42.247 -95.661 -37.714 87 H8A A2G 11 H8A A2G 11 -40.984 -96.532 -36.842 88 H8B A2G 11 H8B A2G 11 -41.175 -96.761 -38.581 89 H14 A2G 11 H14 A2G 11 -35.990 -91.292 -42.547 90 H15 A2G 11 H15 A2G 11 -38.337 -89.709 -42.623 Start of MODEL 23 1 H1 ACE 1 H1 ACE 1 -46.104-102.343 -51.037 2 H2 ACE 1 H2 ACE 1 -46.826-100.811 -51.528 3 H3 ACE 1 H3 ACE 1 -46.796-101.266 -49.824 4 HA PRO 2 HA PRO 2 -43.073 -98.635 -50.679 5 HB2 PRO 2 HB2 PRO 2 -43.820 -96.995 -48.430 6 HB3 PRO 2 HB3 PRO 2 -43.786 -96.554 -50.144 7 HG2 PRO 2 HG2 PRO 2 -46.059 -96.809 -48.596 8 HG3 PRO 2 HG3 PRO 2 -46.007 -96.825 -50.364 9 HD2 PRO 2 HD2 PRO 2 -46.298 -99.110 -48.470 10 HD3 PRO 2 HD3 PRO 2 -46.919 -98.925 -50.127 11 H THR 3 H THR 3 -41.353 -97.936 -49.006 12 HA THR 3 HA THR 3 -40.954-100.184 -47.170 13 HB THR 3 HB THR 3 -38.639 -98.949 -46.971 14 HG21 THR 3 HG21 THR 3 -38.957-101.138 -48.033 15 HG22 THR 3 HG22 THR 3 -37.880-100.141 -49.013 16 HG23 THR 3 HG23 THR 3 -39.562-100.356 -49.494 17 H THR 4 H THR 4 -39.272 -99.085 -45.311 18 HA THR 4 HA THR 4 -40.614 -96.811 -44.069 19 HB THR 4 HB THR 4 -40.458 -98.549 -41.929 20 HG1 THR 4 HG1 THR 4 -41.991-100.142 -43.339 21 HG21 THR 4 HG21 THR 4 -42.803 -97.891 -43.731 22 HG22 THR 4 HG22 THR 4 -42.255 -96.954 -42.340 23 HG23 THR 4 HG23 THR 4 -42.944 -98.561 -42.106 24 H THR 5 H THR 5 -39.470 -96.102 -42.086 25 HA THR 5 HA THR 5 -36.605 -96.264 -42.501 26 HB THR 5 HB THR 5 -36.938 -94.792 -40.214 27 HG21 THR 5 HG21 THR 5 -35.733 -94.109 -42.257 28 HG22 THR 5 HG22 THR 5 -36.823 -92.834 -41.712 29 HG23 THR 5 HG23 THR 5 -37.271 -93.855 -43.079 30 HA PRO 6 HA PRO 6 -35.670 -99.133 -39.310 31 HB2 PRO 6 HB2 PRO 6 -33.421 -97.673 -38.253 32 HB3 PRO 6 HB3 PRO 6 -33.410 -99.026 -39.394 33 HG2 PRO 6 HG2 PRO 6 -32.707 -96.421 -39.986 34 HG3 PRO 6 HG3 PRO 6 -33.142 -97.666 -41.165 35 HD2 PRO 6 HD2 PRO 6 -34.775 -95.391 -40.142 36 HD3 PRO 6 HD3 PRO 6 -34.824 -96.196 -41.726 37 H LEU 7 H LEU 7 -37.744 -98.029 -38.270 38 HA LEU 7 HA LEU 7 -38.597 -96.680 -36.466 39 HB2 LEU 7 HB2 LEU 7 -38.548 -99.314 -36.211 40 HB3 LEU 7 HB3 LEU 7 -37.429 -98.940 -34.900 41 HG LEU 7 HG LEU 7 -40.219 -97.796 -35.218 42 HD11 LEU 7 HD11 LEU 7 -39.028 -99.957 -33.477 43 HD12 LEU 7 HD12 LEU 7 -40.472-100.035 -34.489 44 HD13 LEU 7 HD13 LEU 7 -40.490 -99.093 -32.998 45 HD21 LEU 7 HD21 LEU 7 -38.952 -96.134 -34.117 46 HD22 LEU 7 HD22 LEU 7 -37.973 -97.323 -33.258 47 HD23 LEU 7 HD23 LEU 7 -39.652 -97.060 -32.789 48 H LYS 8 H LYS 8 -37.410 -94.812 -36.129 49 HA LYS 8 HA LYS 8 -34.837 -94.799 -34.877 50 HB2 LYS 8 HB2 LYS 8 -36.847 -92.554 -35.177 51 HB3 LYS 8 HB3 LYS 8 -35.140 -92.373 -34.769 52 HG2 LYS 8 HG2 LYS 8 -34.746 -93.730 -36.980 53 HG3 LYS 8 HG3 LYS 8 -36.382 -93.202 -37.377 54 HD2 LYS 8 HD2 LYS 8 -35.675 -90.843 -36.920 55 HD3 LYS 8 HD3 LYS 8 -34.025 -91.423 -36.693 56 HE2 LYS 8 HE2 LYS 8 -35.624 -91.919 -39.215 57 HE3 LYS 8 HE3 LYS 8 -34.527 -90.553 -39.018 58 HZ1 LYS 8 HZ1 LYS 8 -33.073 -92.037 -39.872 59 HZ2 LYS 8 HZ2 LYS 8 -33.934 -93.390 -39.314 60 HZ3 LYS 8 HZ3 LYS 8 -32.941 -92.515 -38.250 61 HN1 NH2 9 HN1 NH2 9 -35.977 -96.340 -32.948 62 HN2 NH2 9 HN2 NH2 9 -37.139 -95.569 -31.983 63 H1 A2G 10 H1 A2G 10 -37.760 -97.275 -47.278 64 H2 A2G 10 H2 A2G 10 -37.538 -95.019 -48.226 65 HN2 A2G 10 HN2 A2G 10 -40.350 -95.788 -47.717 66 H3 A2G 10 H3 A2G 10 -39.634 -95.920 -50.221 67 HO3 A2G 10 HO3 A2G 10 -38.125 -93.533 -49.968 68 H4 A2G 10 H4 A2G 10 -37.871 -95.789 -51.890 69 HO4 A2G 10 HO4 A2G 10 -35.671 -95.519 -50.958 70 H5 A2G 10 H5 A2G 10 -38.103 -97.944 -50.734 71 H6 A2G 10 H6 A2G 10 -36.058 -97.291 -52.295 72 H8 A2G 10 H8 A2G 10 -40.518 -93.152 -45.305 73 H8A A2G 10 H8A A2G 10 -40.839 -94.887 -45.282 74 H8B A2G 10 H8B A2G 10 -41.535 -93.879 -46.551 75 H14 A2G 10 H14 A2G 10 -35.136 -97.513 -50.809 76 H15 A2G 10 H15 A2G 10 -36.983 -99.410 -51.805 77 H1 A2G 11 H1 A2G 11 -38.396 -93.784 -39.123 78 H2 A2G 11 H2 A2G 11 -40.628 -92.807 -38.797 79 HN2 A2G 11 HN2 A2G 11 -40.773 -95.601 -39.771 80 H3 A2G 11 H3 A2G 11 -41.211 -93.829 -41.590 81 HO3 A2G 11 HO3 A2G 11 -43.199 -93.369 -41.114 82 H4 A2G 11 H4 A2G 11 -41.301 -91.493 -42.253 83 HO4 A2G 11 HO4 A2G 11 -41.996 -90.655 -40.260 84 H5 A2G 11 H5 A2G 11 -39.093 -92.560 -42.367 85 H6 A2G 11 H6 A2G 11 -39.126 -89.701 -41.362 86 H8 A2G 11 H8 A2G 11 -42.773 -96.650 -38.035 87 H8A A2G 11 H8A A2G 11 -41.832 -96.596 -36.545 88 H8B A2G 11 H8B A2G 11 -41.085 -97.163 -38.040 89 H14 A2G 11 H14 A2G 11 -37.675 -90.470 -42.004 90 H15 A2G 11 H15 A2G 11 -38.528 -89.639 -43.778 Start of MODEL 24 1 H1 ACE 1 H1 ACE 1 -43.651 -98.582 -51.963 2 H2 ACE 1 H2 ACE 1 -42.423 -99.671 -51.317 3 H3 ACE 1 H3 ACE 1 -42.145 -97.930 -51.317 4 HA PRO 2 HA PRO 2 -45.449 -98.748 -47.927 5 HB2 PRO 2 HB2 PRO 2 -45.689-101.585 -47.484 6 HB3 PRO 2 HB3 PRO 2 -46.921-100.461 -48.078 7 HG2 PRO 2 HG2 PRO 2 -45.733-102.469 -49.556 8 HG3 PRO 2 HG3 PRO 2 -46.597-101.074 -50.218 9 HD2 PRO 2 HD2 PRO 2 -43.660-101.552 -50.033 10 HD3 PRO 2 HD3 PRO 2 -44.582-100.618 -51.233 11 H THR 3 H THR 3 -42.460 -99.025 -47.985 12 HA THR 3 HA THR 3 -41.916-100.520 -45.524 13 HB THR 3 HB THR 3 -39.532 -99.967 -46.043 14 HG21 THR 3 HG21 THR 3 -41.299-101.718 -47.409 15 HG22 THR 3 HG22 THR 3 -39.553-101.882 -47.223 16 HG23 THR 3 HG23 THR 3 -40.216-101.038 -48.623 17 H THR 4 H THR 4 -39.702 -98.924 -44.696 18 HA THR 4 HA THR 4 -40.800 -96.297 -44.048 19 HB THR 4 HB THR 4 -41.625 -98.014 -42.326 20 HG1 THR 4 HG1 THR 4 -40.070 -95.752 -41.645 21 HG21 THR 4 HG21 THR 4 -40.134 -99.045 -40.905 22 HG22 THR 4 HG22 THR 4 -38.934 -97.761 -41.064 23 HG23 THR 4 HG23 THR 4 -39.123 -98.956 -42.348 24 H THR 5 H THR 5 -39.178 -95.102 -42.580 25 HA THR 5 HA THR 5 -36.575 -95.331 -43.840 26 HB THR 5 HB THR 5 -36.304 -93.371 -41.950 27 HG21 THR 5 HG21 THR 5 -36.838 -91.813 -43.793 28 HG22 THR 5 HG22 THR 5 -37.594 -93.134 -44.685 29 HG23 THR 5 HG23 THR 5 -35.860 -93.165 -44.366 30 HA PRO 6 HA PRO 6 -34.470 -97.363 -40.563 31 HB2 PRO 6 HB2 PRO 6 -32.142 -95.663 -40.609 32 HB3 PRO 6 HB3 PRO 6 -32.359 -97.245 -41.374 33 HG2 PRO 6 HG2 PRO 6 -32.098 -94.838 -42.705 34 HG3 PRO 6 HG3 PRO 6 -32.759 -96.330 -43.389 35 HD2 PRO 6 HD2 PRO 6 -34.197 -93.904 -42.424 36 HD3 PRO 6 HD3 PRO 6 -34.652 -95.057 -43.699 37 H LEU 7 H LEU 7 -35.350 -97.084 -38.567 38 HA LEU 7 HA LEU 7 -34.141 -95.427 -36.651 39 HB2 LEU 7 HB2 LEU 7 -35.989 -94.023 -38.268 40 HB3 LEU 7 HB3 LEU 7 -36.772 -94.272 -36.707 41 HG LEU 7 HG LEU 7 -33.932 -93.261 -36.941 42 HD11 LEU 7 HD11 LEU 7 -34.898 -90.995 -36.559 43 HD12 LEU 7 HD12 LEU 7 -36.513 -91.674 -36.769 44 HD13 LEU 7 HD13 LEU 7 -35.375 -91.673 -38.116 45 HD21 LEU 7 HD21 LEU 7 -34.481 -92.406 -34.645 46 HD22 LEU 7 HD22 LEU 7 -34.547 -94.165 -34.765 47 HD23 LEU 7 HD23 LEU 7 -36.039 -93.225 -34.757 48 H LYS 8 H LYS 8 -36.134 -95.014 -34.832 49 HA LYS 8 HA LYS 8 -36.948 -96.333 -33.075 50 HB2 LYS 8 HB2 LYS 8 -38.872 -95.550 -34.513 51 HB3 LYS 8 HB3 LYS 8 -38.846 -97.136 -35.287 52 HG2 LYS 8 HG2 LYS 8 -38.787 -97.730 -32.567 53 HG3 LYS 8 HG3 LYS 8 -39.907 -96.370 -32.677 54 HD2 LYS 8 HD2 LYS 8 -41.139 -97.559 -34.479 55 HD3 LYS 8 HD3 LYS 8 -40.052 -98.936 -34.288 56 HE2 LYS 8 HE2 LYS 8 -40.824 -99.364 -32.071 57 HE3 LYS 8 HE3 LYS 8 -41.653 -97.810 -31.983 58 HZ1 LYS 8 HZ1 LYS 8 -42.698-100.230 -32.830 59 HZ2 LYS 8 HZ2 LYS 8 -42.563 -99.268 -34.224 60 HZ3 LYS 8 HZ3 LYS 8 -43.447 -98.709 -32.884 61 HN1 NH2 9 HN1 NH2 9 -38.136 -99.386 -33.383 62 HN2 NH2 9 HN2 NH2 9 -37.837 -99.540 -35.046 63 H1 A2G 10 H1 A2G 10 -38.802 -98.081 -46.275 64 H2 A2G 10 H2 A2G 10 -38.172 -96.133 -47.636 65 HN2 A2G 10 HN2 A2G 10 -41.102 -96.526 -47.466 66 H3 A2G 10 H3 A2G 10 -40.040 -97.297 -49.719 67 HO3 A2G 10 HO3 A2G 10 -38.972 -94.859 -49.255 68 H4 A2G 10 H4 A2G 10 -38.046 -97.703 -51.047 69 HO4 A2G 10 HO4 A2G 10 -36.135 -96.972 -50.469 70 H5 A2G 10 H5 A2G 10 -38.703 -99.503 -49.512 71 H6 A2G 10 H6 A2G 10 -36.340 -99.343 -50.776 72 H8 A2G 10 H8 A2G 10 -41.310 -93.390 -45.758 73 H8A A2G 10 H8A A2G 10 -41.926 -95.025 -45.519 74 H8B A2G 10 H8B A2G 10 -42.163 -94.210 -47.065 75 H14 A2G 10 H14 A2G 10 -35.744 -99.408 -49.117 76 H15 A2G 10 H15 A2G 10 -36.731-101.344 -48.827 77 H1 A2G 11 H1 A2G 11 -37.379 -92.117 -40.747 78 H2 A2G 11 H2 A2G 11 -39.453 -91.218 -39.783 79 HN2 A2G 11 HN2 A2G 11 -39.477 -94.167 -40.037 80 H3 A2G 11 H3 A2G 11 -40.860 -92.916 -41.861 81 HO3 A2G 11 HO3 A2G 11 -41.708 -92.333 -39.607 82 H4 A2G 11 H4 A2G 11 -41.526 -90.818 -42.891 83 HO4 A2G 11 HO4 A2G 11 -41.579 -89.211 -41.550 84 H5 A2G 11 H5 A2G 11 -39.382 -91.752 -43.639 85 H6 A2G 11 H6 A2G 11 -39.459 -88.742 -43.295 86 H8 A2G 11 H8 A2G 11 -40.673 -94.873 -37.485 87 H8A A2G 11 H8A A2G 11 -39.260 -94.418 -36.532 88 H8B A2G 11 H8B A2G 11 -39.055 -95.283 -38.056 89 H14 A2G 11 H14 A2G 11 -38.250 -89.561 -44.285 90 H15 A2G 11 H15 A2G 11 -40.967 -89.204 -44.708 Start of MODEL 25 1 H1 ACE 1 H1 ACE 1 -45.175-103.536 -48.125 2 H2 ACE 1 H2 ACE 1 -44.420-104.287 -49.530 3 H3 ACE 1 H3 ACE 1 -45.850-103.275 -49.733 4 HA PRO 2 HA PRO 2 -43.390 -99.604 -49.818 5 HB2 PRO 2 HB2 PRO 2 -44.175 -98.292 -47.375 6 HB3 PRO 2 HB3 PRO 2 -44.789 -98.019 -49.012 7 HG2 PRO 2 HG2 PRO 2 -46.217 -99.131 -46.927 8 HG3 PRO 2 HG3 PRO 2 -46.627 -99.260 -48.643 9 HD2 PRO 2 HD2 PRO 2 -45.361-101.282 -46.852 10 HD3 PRO 2 HD3 PRO 2 -46.407-101.522 -48.270 11 H THR 3 H THR 3 -41.453 -98.590 -49.184 12 HA THR 3 HA THR 3 -39.958-100.030 -47.116 13 HB THR 3 HB THR 3 -37.999 -98.787 -48.100 14 HG21 THR 3 HG21 THR 3 -39.632-100.261 -50.179 15 HG22 THR 3 HG22 THR 3 -38.795-101.078 -48.859 16 HG23 THR 3 HG23 THR 3 -37.875-100.171 -50.059 17 H THR 4 H THR 4 -40.773 -99.137 -45.213 18 HA THR 4 HA THR 4 -40.676 -96.243 -44.845 19 HB THR 4 HB THR 4 -42.579 -97.457 -43.911 20 HG1 THR 4 HG1 THR 4 -40.899 -96.735 -41.761 21 HG21 THR 4 HG21 THR 4 -41.410 -99.620 -43.580 22 HG22 THR 4 HG22 THR 4 -42.264 -99.103 -42.126 23 HG23 THR 4 HG23 THR 4 -40.513 -98.911 -42.237 24 H THR 5 H THR 5 -39.579 -95.334 -42.942 25 HA THR 5 HA THR 5 -36.873 -96.358 -42.756 26 HB THR 5 HB THR 5 -36.501 -94.309 -41.367 27 HG21 THR 5 HG21 THR 5 -36.156 -93.232 -43.315 28 HG22 THR 5 HG22 THR 5 -37.892 -93.067 -43.582 29 HG23 THR 5 HG23 THR 5 -37.051 -94.521 -44.120 30 HA PRO 6 HA PRO 6 -37.027 -98.801 -39.137 31 HB2 PRO 6 HB2 PRO 6 -34.969 -97.337 -37.750 32 HB3 PRO 6 HB3 PRO 6 -34.829 -98.885 -38.598 33 HG2 PRO 6 HG2 PRO 6 -34.075 -96.206 -39.480 34 HG3 PRO 6 HG3 PRO 6 -33.561 -97.784 -40.093 35 HD2 PRO 6 HD2 PRO 6 -35.223 -96.108 -41.483 36 HD3 PRO 6 HD3 PRO 6 -35.258 -97.877 -41.658 37 H LEU 7 H LEU 7 -37.830 -98.769 -37.010 38 HA LEU 7 HA LEU 7 -39.559 -96.659 -36.324 39 HB2 LEU 7 HB2 LEU 7 -38.415 -98.797 -34.509 40 HB3 LEU 7 HB3 LEU 7 -39.863 -97.835 -34.205 41 HG LEU 7 HG LEU 7 -40.753 -98.748 -36.428 42 HD11 LEU 7 HD11 LEU 7 -38.169-100.171 -36.167 43 HD12 LEU 7 HD12 LEU 7 -39.109 -99.797 -37.613 44 HD13 LEU 7 HD13 LEU 7 -39.543-101.183 -36.613 45 HD21 LEU 7 HD21 LEU 7 -40.482-100.075 -33.815 46 HD22 LEU 7 HD22 LEU 7 -40.859-101.183 -35.134 47 HD23 LEU 7 HD23 LEU 7 -41.923 -99.816 -34.798 48 H LYS 8 H LYS 8 -36.497 -96.181 -36.586 49 HA LYS 8 HA LYS 8 -34.807 -95.100 -35.377 50 HB2 LYS 8 HB2 LYS 8 -36.258 -93.371 -36.471 51 HB3 LYS 8 HB3 LYS 8 -37.133 -93.216 -34.946 52 HG2 LYS 8 HG2 LYS 8 -35.419 -91.493 -35.037 53 HG3 LYS 8 HG3 LYS 8 -34.963 -92.682 -33.816 54 HD2 LYS 8 HD2 LYS 8 -33.180 -93.447 -35.031 55 HD3 LYS 8 HD3 LYS 8 -34.002 -93.216 -36.574 56 HE2 LYS 8 HE2 LYS 8 -32.015 -91.650 -36.043 57 HE3 LYS 8 HE3 LYS 8 -33.503 -90.905 -36.628 58 HZ1 LYS 8 HZ1 LYS 8 -33.818 -89.867 -34.698 59 HZ2 LYS 8 HZ2 LYS 8 -32.198 -90.242 -34.347 60 HZ3 LYS 8 HZ3 LYS 8 -33.448 -91.244 -33.779 61 HN1 NH2 9 HN1 NH2 9 -34.257 -96.018 -32.837 62 HN2 NH2 9 HN2 NH2 9 -35.710 -96.883 -32.695 63 H1 A2G 10 H1 A2G 10 -37.828 -96.808 -48.363 64 H2 A2G 10 H2 A2G 10 -38.160 -94.699 -49.581 65 HN2 A2G 10 HN2 A2G 10 -40.762 -95.852 -48.762 66 H3 A2G 10 H3 A2G 10 -40.195 -96.247 -51.208 67 HO3 A2G 10 HO3 A2G 10 -40.392 -94.312 -52.289 68 H4 A2G 10 H4 A2G 10 -38.653 -96.003 -53.070 69 HO4 A2G 10 HO4 A2G 10 -36.483 -95.189 -52.440 70 H5 A2G 10 H5 A2G 10 -38.333 -97.987 -51.658 71 H6 A2G 10 H6 A2G 10 -36.454 -96.898 -53.392 72 H8 A2G 10 H8 A2G 10 -40.922 -93.467 -46.149 73 H8A A2G 10 H8A A2G 10 -41.520 -95.040 -46.677 74 H8B A2G 10 H8B A2G 10 -41.969 -93.583 -47.563 75 H14 A2G 10 H14 A2G 10 -35.499 -97.301 -51.965 76 H15 A2G 10 H15 A2G 10 -36.582 -99.394 -52.065 77 H1 A2G 11 H1 A2G 11 -37.638 -94.071 -39.568 78 H2 A2G 11 H2 A2G 11 -39.372 -92.802 -38.376 79 HN2 A2G 11 HN2 A2G 11 -40.604 -94.801 -40.179 80 H3 A2G 11 H3 A2G 11 -40.632 -92.437 -41.107 81 HO3 A2G 11 HO3 A2G 11 -41.389 -91.993 -38.470 82 H4 A2G 11 H4 A2G 11 -40.064 -90.085 -40.877 83 HO4 A2G 11 HO4 A2G 11 -39.013 -89.333 -39.092 84 H5 A2G 11 H5 A2G 11 -38.351 -91.513 -41.905 85 H6 A2G 11 H6 A2G 11 -37.260 -89.436 -39.981 86 H8 A2G 11 H8 A2G 11 -42.149 -96.247 -38.903 87 H8A A2G 11 H8A A2G 11 -41.567 -96.662 -37.291 88 H8B A2G 11 H8B A2G 11 -40.602 -97.073 -38.708 89 H14 A2G 11 H14 A2G 11 -36.325 -90.147 -41.296 90 H15 A2G 11 H15 A2G 11 -37.539 -89.137 -42.746 Start of MODEL 26 1 H1 ACE 1 H1 ACE 1 -46.523-101.384 -50.994 2 H2 ACE 1 H2 ACE 1 -45.641-102.894 -51.224 3 H3 ACE 1 H3 ACE 1 -45.566-101.633 -52.454 4 HA PRO 2 HA PRO 2 -42.009 -99.618 -50.892 5 HB2 PRO 2 HB2 PRO 2 -43.246 -97.221 -49.885 6 HB3 PRO 2 HB3 PRO 2 -42.352 -97.438 -51.396 7 HG2 PRO 2 HG2 PRO 2 -45.234 -97.347 -50.936 8 HG3 PRO 2 HG3 PRO 2 -44.321 -97.124 -52.435 9 HD2 PRO 2 HD2 PRO 2 -45.860 -99.334 -51.935 10 HD3 PRO 2 HD3 PRO 2 -44.429 -99.364 -52.991 11 H THR 3 H THR 3 -40.891 -99.052 -48.932 12 HA THR 3 HA THR 3 -42.209-100.116 -46.541 13 HB THR 3 HB THR 3 -39.792 -99.828 -45.626 14 HG21 THR 3 HG21 THR 3 -40.835-101.780 -47.631 15 HG22 THR 3 HG22 THR 3 -40.346-102.045 -45.957 16 HG23 THR 3 HG23 THR 3 -39.123-101.868 -47.216 17 H THR 4 H THR 4 -41.203 -98.943 -44.453 18 HA THR 4 HA THR 4 -42.220 -96.211 -44.608 19 HB THR 4 HB THR 4 -41.195 -97.181 -42.027 20 HG1 THR 4 HG1 THR 4 -42.233 -98.993 -43.419 21 HG21 THR 4 HG21 THR 4 -43.978 -96.311 -42.816 22 HG22 THR 4 HG22 THR 4 -42.676 -95.155 -42.533 23 HG23 THR 4 HG23 THR 4 -43.218 -96.212 -41.228 24 H THR 5 H THR 5 -40.929 -94.765 -42.844 25 HA THR 5 HA THR 5 -38.339 -94.335 -44.069 26 HB THR 5 HB THR 5 -38.338 -92.439 -42.254 27 HG21 THR 5 HG21 THR 5 -39.707 -91.043 -43.744 28 HG22 THR 5 HG22 THR 5 -40.375 -92.489 -44.502 29 HG23 THR 5 HG23 THR 5 -38.664 -92.106 -44.690 30 HA PRO 6 HA PRO 6 -35.891 -96.258 -40.973 31 HB2 PRO 6 HB2 PRO 6 -33.813 -94.263 -41.046 32 HB3 PRO 6 HB3 PRO 6 -33.853 -95.833 -41.861 33 HG2 PRO 6 HG2 PRO 6 -33.969 -93.371 -43.109 34 HG3 PRO 6 HG3 PRO 6 -34.457 -94.915 -43.823 35 HD2 PRO 6 HD2 PRO 6 -36.160 -92.736 -42.711 36 HD3 PRO 6 HD3 PRO 6 -36.514 -93.898 -44.009 37 H LEU 7 H LEU 7 -34.901 -96.009 -38.835 38 HA LEU 7 HA LEU 7 -34.947 -93.625 -37.338 39 HB2 LEU 7 HB2 LEU 7 -37.480 -94.196 -37.763 40 HB3 LEU 7 HB3 LEU 7 -37.220 -95.373 -36.476 41 HG LEU 7 HG LEU 7 -36.040 -93.235 -35.340 42 HD11 LEU 7 HD11 LEU 7 -38.267 -92.103 -37.063 43 HD12 LEU 7 HD12 LEU 7 -36.547 -91.778 -37.277 44 HD13 LEU 7 HD13 LEU 7 -37.375 -91.223 -35.822 45 HD21 LEU 7 HD21 LEU 7 -38.892 -94.184 -35.377 46 HD22 LEU 7 HD22 LEU 7 -38.464 -92.770 -34.415 47 HD23 LEU 7 HD23 LEU 7 -37.691 -94.322 -34.093 48 H LYS 8 H LYS 8 -35.960 -95.010 -34.896 49 HA LYS 8 HA LYS 8 -34.728 -95.922 -33.125 50 HB2 LYS 8 HB2 LYS 8 -36.222 -97.702 -33.884 51 HB3 LYS 8 HB3 LYS 8 -35.030 -98.215 -35.079 52 HG2 LYS 8 HG2 LYS 8 -33.600 -99.099 -33.479 53 HG3 LYS 8 HG3 LYS 8 -34.195 -98.031 -32.208 54 HD2 LYS 8 HD2 LYS 8 -36.109 -99.998 -33.392 55 HD3 LYS 8 HD3 LYS 8 -34.884-100.603 -32.277 56 HE2 LYS 8 HE2 LYS 8 -35.603 -98.982 -30.578 57 HE3 LYS 8 HE3 LYS 8 -36.802 -98.327 -31.693 58 HZ1 LYS 8 HZ1 LYS 8 -36.726-101.148 -30.772 59 HZ2 LYS 8 HZ2 LYS 8 -37.929-100.424 -31.730 60 HZ3 LYS 8 HZ3 LYS 8 -37.728 -99.950 -30.111 61 HN1 NH2 9 HN1 NH2 9 -33.087 -97.924 -35.673 62 HN2 NH2 9 HN2 NH2 9 -31.666 -97.836 -34.748 63 H1 A2G 10 H1 A2G 10 -38.261 -98.731 -45.836 64 H2 A2G 10 H2 A2G 10 -36.778 -97.185 -47.039 65 HN2 A2G 10 HN2 A2G 10 -39.601 -96.909 -47.889 66 H3 A2G 10 H3 A2G 10 -38.126 -98.233 -49.543 67 HO3 A2G 10 HO3 A2G 10 -35.991 -96.415 -49.122 68 H4 A2G 10 H4 A2G 10 -35.981 -99.240 -50.083 69 HO4 A2G 10 HO4 A2G 10 -35.209 -97.721 -47.907 70 H5 A2G 10 H5 A2G 10 -37.508-100.613 -48.736 71 H6 A2G 10 H6 A2G 10 -34.816-101.041 -49.045 72 H8 A2G 10 H8 A2G 10 -39.623 -93.671 -46.375 73 H8A A2G 10 H8A A2G 10 -40.680 -95.072 -46.558 74 H8B A2G 10 H8B A2G 10 -40.011 -94.280 -47.985 75 H14 A2G 10 H14 A2G 10 -34.993-101.182 -47.295 76 H15 A2G 10 H15 A2G 10 -35.903-103.028 -47.597 77 H1 A2G 11 H1 A2G 11 -39.102 -92.129 -40.437 78 H2 A2G 11 H2 A2G 11 -40.906 -91.965 -38.776 79 HN2 A2G 11 HN2 A2G 11 -40.879 -94.639 -40.049 80 H3 A2G 11 H3 A2G 11 -42.682 -93.084 -40.960 81 HO3 A2G 11 HO3 A2G 11 -43.788 -91.965 -38.735 82 H4 A2G 11 H4 A2G 11 -43.760 -90.907 -40.979 83 HO4 A2G 11 HO4 A2G 11 -41.798 -89.763 -39.387 84 H5 A2G 11 H5 A2G 11 -41.829 -91.166 -42.472 85 H6 A2G 11 H6 A2G 11 -41.906 -88.481 -41.056 86 H8 A2G 11 H8 A2G 11 -41.026 -96.270 -37.646 87 H8A A2G 11 H8A A2G 11 -39.359 -95.956 -37.162 88 H8B A2G 11 H8B A2G 11 -39.742 -96.258 -38.857 89 H14 A2G 11 H14 A2G 11 -41.157 -88.766 -42.627 90 H15 A2G 11 H15 A2G 11 -43.299 -87.998 -42.821 Start of MODEL 27 1 H1 ACE 1 H1 ACE 1 -46.986 -99.896 -51.773 2 H2 ACE 1 H2 ACE 1 -46.288 -98.701 -52.866 3 H3 ACE 1 H3 ACE 1 -46.757 -98.234 -51.231 4 HA PRO 2 HA PRO 2 -42.255 -99.341 -51.165 5 HB2 PRO 2 HB2 PRO 2 -41.737 -96.816 -49.875 6 HB3 PRO 2 HB3 PRO 2 -41.236 -97.345 -51.489 7 HG2 PRO 2 HG2 PRO 2 -43.074 -95.356 -50.954 8 HG3 PRO 2 HG3 PRO 2 -42.902 -96.213 -52.492 9 HD2 PRO 2 HD2 PRO 2 -44.942 -96.588 -50.346 10 HD3 PRO 2 HD3 PRO 2 -45.089 -96.826 -52.102 11 H THR 3 H THR 3 -40.757 -98.625 -49.027 12 HA THR 3 HA THR 3 -42.170 -99.913 -46.808 13 HB THR 3 HB THR 3 -39.721 -99.773 -45.837 14 HG21 THR 3 HG21 THR 3 -39.189-101.761 -47.553 15 HG22 THR 3 HG22 THR 3 -40.906-101.566 -47.900 16 HG23 THR 3 HG23 THR 3 -40.375-101.941 -46.261 17 H THR 4 H THR 4 -41.243 -99.045 -44.560 18 HA THR 4 HA THR 4 -42.104 -96.254 -44.446 19 HB THR 4 HB THR 4 -43.030 -97.889 -42.830 20 HG1 THR 4 HG1 THR 4 -42.958 -96.457 -41.253 21 HG21 THR 4 HG21 THR 4 -41.697 -99.044 -41.280 22 HG22 THR 4 HG22 THR 4 -40.318 -97.973 -41.529 23 HG23 THR 4 HG23 THR 4 -40.757 -99.148 -42.769 24 H THR 5 H THR 5 -40.813 -95.237 -42.357 25 HA THR 5 HA THR 5 -38.181 -94.698 -43.434 26 HB THR 5 HB THR 5 -38.442 -93.359 -41.006 27 HG21 THR 5 HG21 THR 5 -37.616 -92.234 -42.925 28 HG22 THR 5 HG22 THR 5 -39.159 -91.450 -42.584 29 HG23 THR 5 HG23 THR 5 -39.043 -92.645 -43.876 30 HA PRO 6 HA PRO 6 -35.817 -97.125 -40.633 31 HB2 PRO 6 HB2 PRO 6 -33.884 -95.078 -40.015 32 HB3 PRO 6 HB3 PRO 6 -33.751 -96.391 -41.193 33 HG2 PRO 6 HG2 PRO 6 -33.937 -93.706 -41.803 34 HG3 PRO 6 HG3 PRO 6 -34.270 -95.041 -42.916 35 HD2 PRO 6 HD2 PRO 6 -36.190 -93.294 -41.443 36 HD3 PRO 6 HD3 PRO 6 -36.366 -94.089 -43.024 37 H LEU 7 H LEU 7 -37.191 -97.387 -38.827 38 HA LEU 7 HA LEU 7 -37.686 -95.472 -36.840 39 HB2 LEU 7 HB2 LEU 7 -38.709 -97.170 -35.652 40 HB3 LEU 7 HB3 LEU 7 -38.720 -97.861 -37.275 41 HG LEU 7 HG LEU 7 -36.350 -98.786 -36.558 42 HD11 LEU 7 HD11 LEU 7 -37.337 -99.269 -33.894 43 HD12 LEU 7 HD12 LEU 7 -37.235 -97.530 -34.174 44 HD13 LEU 7 HD13 LEU 7 -35.806 -98.543 -34.386 45 HD21 LEU 7 HD21 LEU 7 -38.982 -99.913 -35.549 46 HD22 LEU 7 HD22 LEU 7 -37.486-100.832 -35.709 47 HD23 LEU 7 HD23 LEU 7 -38.280-100.184 -37.143 48 H LYS 8 H LYS 8 -36.812 -95.202 -34.742 49 HA LYS 8 HA LYS 8 -34.440 -96.550 -33.886 50 HB2 LYS 8 HB2 LYS 8 -34.107 -94.292 -35.639 51 HB3 LYS 8 HB3 LYS 8 -33.477 -93.900 -34.039 52 HG2 LYS 8 HG2 LYS 8 -32.038 -95.827 -34.043 53 HG3 LYS 8 HG3 LYS 8 -32.805 -96.466 -35.498 54 HD2 LYS 8 HD2 LYS 8 -30.627 -95.374 -35.997 55 HD3 LYS 8 HD3 LYS 8 -31.972 -94.568 -36.804 56 HE2 LYS 8 HE2 LYS 8 -30.225 -93.098 -35.551 57 HE3 LYS 8 HE3 LYS 8 -31.937 -92.746 -35.320 58 HZ1 LYS 8 HZ1 LYS 8 -30.881 -92.804 -33.198 59 HZ2 LYS 8 HZ2 LYS 8 -30.176 -94.316 -33.519 60 HZ3 LYS 8 HZ3 LYS 8 -31.859 -94.184 -33.325 61 HN1 NH2 9 HN1 NH2 9 -34.911 -95.693 -30.931 62 HN2 NH2 9 HN2 NH2 9 -33.631 -94.804 -31.604 63 H1 A2G 10 H1 A2G 10 -38.090 -98.823 -46.009 64 H2 A2G 10 H2 A2G 10 -36.620 -97.179 -47.115 65 HN2 A2G 10 HN2 A2G 10 -39.452 -96.696 -47.836 66 H3 A2G 10 H3 A2G 10 -38.126 -97.940 -49.631 67 HO3 A2G 10 HO3 A2G 10 -36.034 -96.110 -49.076 68 H4 A2G 10 H4 A2G 10 -36.008 -98.865 -50.393 69 HO4 A2G 10 HO4 A2G 10 -35.104 -97.959 -47.868 70 H5 A2G 10 H5 A2G 10 -37.462-100.391 -49.144 71 H6 A2G 10 H6 A2G 10 -34.797-100.765 -49.623 72 H8 A2G 10 H8 A2G 10 -39.279 -93.660 -45.951 73 H8A A2G 10 H8A A2G 10 -40.428 -94.986 -46.126 74 H8B A2G 10 H8B A2G 10 -39.799 -94.170 -47.557 75 H14 A2G 10 H14 A2G 10 -34.868-101.068 -47.887 76 H15 A2G 10 H15 A2G 10 -36.846-102.197 -49.484 77 H1 A2G 11 H1 A2G 11 -39.820 -92.198 -40.071 78 H2 A2G 11 H2 A2G 11 -41.982 -92.257 -38.928 79 HN2 A2G 11 HN2 A2G 11 -41.160 -95.017 -39.626 80 H3 A2G 11 H3 A2G 11 -42.905 -94.088 -41.157 81 HO3 A2G 11 HO3 A2G 11 -43.763 -93.533 -38.684 82 H4 A2G 11 H4 A2G 11 -44.291 -92.274 -41.942 83 HO4 A2G 11 HO4 A2G 11 -44.026 -91.382 -39.531 84 H5 A2G 11 H5 A2G 11 -42.006 -92.294 -42.827 85 H6 A2G 11 H6 A2G 11 -42.901 -89.478 -42.126 86 H8 A2G 11 H8 A2G 11 -41.503 -96.279 -36.847 87 H8A A2G 11 H8A A2G 11 -39.983 -95.497 -36.414 88 H8B A2G 11 H8B A2G 11 -40.181 -96.210 -38.010 89 H14 A2G 11 H14 A2G 11 -41.832 -89.923 -43.456 90 H15 A2G 11 H15 A2G 11 -43.663 -90.012 -44.498 Start of MODEL 28 1 H1 ACE 1 H1 ACE 1 -43.354-102.320 -52.591 2 H2 ACE 1 H2 ACE 1 -44.222-102.786 -51.128 3 H3 ACE 1 H3 ACE 1 -42.555-103.306 -51.367 4 HA PRO 2 HA PRO 2 -42.346 -98.581 -50.474 5 HB2 PRO 2 HB2 PRO 2 -44.902 -97.667 -49.515 6 HB3 PRO 2 HB3 PRO 2 -44.043 -97.179 -50.981 7 HG2 PRO 2 HG2 PRO 2 -46.398 -98.671 -50.856 8 HG3 PRO 2 HG3 PRO 2 -45.364 -98.446 -52.282 9 HD2 PRO 2 HD2 PRO 2 -45.636-100.815 -50.521 10 HD3 PRO 2 HD3 PRO 2 -45.041-100.715 -52.191 11 H THR 3 H THR 3 -41.161 -98.801 -48.658 12 HA THR 3 HA THR 3 -42.404 -99.732 -46.175 13 HB THR 3 HB THR 3 -39.894 -99.479 -45.426 14 HG21 THR 3 HG21 THR 3 -41.203-101.539 -47.158 15 HG22 THR 3 HG22 THR 3 -40.643-101.670 -45.490 16 HG23 THR 3 HG23 THR 3 -39.481-101.706 -46.815 17 H THR 4 H THR 4 -41.263 -98.572 -44.163 18 HA THR 4 HA THR 4 -42.125 -95.786 -44.336 19 HB THR 4 HB THR 4 -42.667 -96.025 -42.165 20 HG1 THR 4 HG1 THR 4 -40.486 -97.496 -41.340 21 HG21 THR 4 HG21 THR 4 -42.952 -98.281 -41.367 22 HG22 THR 4 HG22 THR 4 -41.689 -98.877 -42.442 23 HG23 THR 4 HG23 THR 4 -43.216 -98.301 -43.111 24 H THR 5 H THR 5 -40.690 -94.410 -42.656 25 HA THR 5 HA THR 5 -38.125 -94.113 -43.975 26 HB THR 5 HB THR 5 -38.044 -92.233 -42.081 27 HG21 THR 5 HG21 THR 5 -39.932 -92.128 -44.450 28 HG22 THR 5 HG22 THR 5 -38.195 -91.833 -44.521 29 HG23 THR 5 HG23 THR 5 -39.240 -90.737 -43.616 30 HA PRO 6 HA PRO 6 -35.717 -96.217 -40.968 31 HB2 PRO 6 HB2 PRO 6 -33.614 -94.251 -40.806 32 HB3 PRO 6 HB3 PRO 6 -33.623 -95.777 -41.701 33 HG2 PRO 6 HG2 PRO 6 -33.683 -93.218 -42.795 34 HG3 PRO 6 HG3 PRO 6 -34.019 -94.734 -43.640 35 HD2 PRO 6 HD2 PRO 6 -35.899 -92.656 -42.725 36 HD3 PRO 6 HD3 PRO 6 -36.123 -93.909 -43.962 37 H LEU 7 H LEU 7 -34.884 -96.140 -38.786 38 HA LEU 7 HA LEU 7 -34.988 -93.888 -37.104 39 HB2 LEU 7 HB2 LEU 7 -37.489 -94.330 -37.744 40 HB3 LEU 7 HB3 LEU 7 -37.359 -95.647 -36.582 41 HG LEU 7 HG LEU 7 -36.199 -93.646 -35.149 42 HD11 LEU 7 HD11 LEU 7 -38.355 -92.344 -36.858 43 HD12 LEU 7 HD12 LEU 7 -36.630 -91.984 -36.936 44 HD13 LEU 7 HD13 LEU 7 -37.547 -91.595 -35.482 45 HD21 LEU 7 HD21 LEU 7 -38.673 -93.278 -34.274 46 HD22 LEU 7 HD22 LEU 7 -37.916 -94.856 -34.082 47 HD23 LEU 7 HD23 LEU 7 -39.059 -94.580 -35.395 48 H LYS 8 H LYS 8 -36.223 -95.493 -34.877 49 HA LYS 8 HA LYS 8 -35.141 -96.579 -33.106 50 HB2 LYS 8 HB2 LYS 8 -34.798 -98.907 -34.918 51 HB3 LYS 8 HB3 LYS 8 -35.593 -98.807 -33.346 52 HG2 LYS 8 HG2 LYS 8 -37.459 -97.532 -34.428 53 HG3 LYS 8 HG3 LYS 8 -36.690 -97.811 -35.991 54 HD2 LYS 8 HD2 LYS 8 -38.397 -99.511 -35.644 55 HD3 LYS 8 HD3 LYS 8 -36.809-100.273 -35.556 56 HE2 LYS 8 HE2 LYS 8 -37.903 -99.235 -32.997 57 HE3 LYS 8 HE3 LYS 8 -38.717-100.644 -33.676 58 HZ1 LYS 8 HZ1 LYS 8 -36.460-100.716 -32.197 59 HZ2 LYS 8 HZ2 LYS 8 -35.846-100.800 -33.779 60 HZ3 LYS 8 HZ3 LYS 8 -36.978-101.948 -33.242 61 HN1 NH2 9 HN1 NH2 9 -32.373 -98.287 -33.049 62 HN2 NH2 9 HN2 NH2 9 -32.659 -98.805 -34.641 63 H1 A2G 10 H1 A2G 10 -38.271 -98.648 -45.846 64 H2 A2G 10 H2 A2G 10 -36.862 -97.204 -47.255 65 HN2 A2G 10 HN2 A2G 10 -39.741 -96.734 -47.765 66 H3 A2G 10 H3 A2G 10 -38.595 -98.194 -49.536 67 HO3 A2G 10 HO3 A2G 10 -37.303 -95.975 -49.226 68 H4 A2G 10 H4 A2G 10 -36.592 -99.313 -50.343 69 HO4 A2G 10 HO4 A2G 10 -35.040 -99.123 -48.183 70 H5 A2G 10 H5 A2G 10 -37.983-100.602 -48.788 71 H6 A2G 10 H6 A2G 10 -35.381-101.160 -49.435 72 H8 A2G 10 H8 A2G 10 -39.363 -93.516 -46.253 73 H8A A2G 10 H8A A2G 10 -40.558 -94.806 -46.375 74 H8B A2G 10 H8B A2G 10 -39.899 -94.075 -47.837 75 H14 A2G 10 H14 A2G 10 -35.322-101.255 -47.675 76 H15 A2G 10 H15 A2G 10 -36.007-103.182 -49.051 77 H1 A2G 11 H1 A2G 11 -38.854 -92.041 -40.294 78 H2 A2G 11 H2 A2G 11 -40.704 -91.967 -38.671 79 HN2 A2G 11 HN2 A2G 11 -40.672 -94.483 -40.234 80 H3 A2G 11 H3 A2G 11 -42.441 -92.772 -41.021 81 HO3 A2G 11 HO3 A2G 11 -42.739 -93.259 -38.536 82 H4 A2G 11 H4 A2G 11 -43.437 -90.563 -40.831 83 HO4 A2G 11 HO4 A2G 11 -43.282 -89.964 -38.783 84 H5 A2G 11 H5 A2G 11 -41.466 -90.719 -42.281 85 H6 A2G 11 H6 A2G 11 -41.554 -88.231 -40.547 86 H8 A2G 11 H8 A2G 11 -41.081 -96.393 -38.074 87 H8A A2G 11 H8A A2G 11 -39.470 -96.173 -37.393 88 H8B A2G 11 H8B A2G 11 -39.685 -96.261 -39.141 89 H14 A2G 11 H14 A2G 11 -40.653 -88.340 -42.060 90 H15 A2G 11 H15 A2G 11 -43.011 -87.564 -41.964 Start of MODEL 29 1 H1 ACE 1 H1 ACE 1 -46.120-102.188 -51.481 2 H2 ACE 1 H2 ACE 1 -45.148-102.428 -52.934 3 H3 ACE 1 H3 ACE 1 -46.398-101.183 -52.903 4 HA PRO 2 HA PRO 2 -43.642 -98.299 -50.996 5 HB2 PRO 2 HB2 PRO 2 -44.810 -97.981 -48.379 6 HB3 PRO 2 HB3 PRO 2 -45.027 -96.958 -49.808 7 HG2 PRO 2 HG2 PRO 2 -46.971 -98.552 -48.664 8 HG3 PRO 2 HG3 PRO 2 -47.010 -97.893 -50.306 9 HD2 PRO 2 HD2 PRO 2 -46.359-100.660 -49.401 10 HD3 PRO 2 HD3 PRO 2 -47.091-100.110 -50.926 11 H THR 3 H THR 3 -42.729 -97.716 -48.445 12 HA THR 3 HA THR 3 -41.631-100.183 -47.316 13 HB THR 3 HB THR 3 -39.312 -99.186 -47.405 14 HG21 THR 3 HG21 THR 3 -40.172-100.949 -48.995 15 HG22 THR 3 HG22 THR 3 -38.890 -99.936 -49.662 16 HG23 THR 3 HG23 THR 3 -40.570 -99.651 -50.121 17 H THR 4 H THR 4 -39.682 -98.977 -45.717 18 HA THR 4 HA THR 4 -40.985 -96.840 -44.217 19 HB THR 4 HB THR 4 -41.902 -99.069 -43.387 20 HG1 THR 4 HG1 THR 4 -42.169 -97.692 -41.827 21 HG21 THR 4 HG21 THR 4 -40.524-100.642 -42.455 22 HG22 THR 4 HG22 THR 4 -39.377 -99.440 -41.867 23 HG23 THR 4 HG23 THR 4 -39.349 -99.930 -43.561 24 H THR 5 H THR 5 -39.397 -97.363 -41.848 25 HA THR 5 HA THR 5 -36.621 -97.359 -42.690 26 HB THR 5 HB THR 5 -36.241 -95.077 -41.632 27 HG21 THR 5 HG21 THR 5 -36.644 -93.937 -43.676 28 HG22 THR 5 HG22 THR 5 -38.031 -94.957 -44.061 29 HG23 THR 5 HG23 THR 5 -36.399 -95.621 -44.143 30 HA PRO 6 HA PRO 6 -35.803 -99.133 -38.784 31 HB2 PRO 6 HB2 PRO 6 -33.749 -97.254 -38.043 32 HB3 PRO 6 HB3 PRO 6 -33.554 -98.899 -38.666 33 HG2 PRO 6 HG2 PRO 6 -33.323 -96.344 -40.059 34 HG3 PRO 6 HG3 PRO 6 -32.718 -97.941 -40.520 35 HD2 PRO 6 HD2 PRO 6 -34.799 -96.703 -41.799 36 HD3 PRO 6 HD3 PRO 6 -34.632 -98.471 -41.703 37 H LEU 7 H LEU 7 -36.710 -98.916 -36.803 38 HA LEU 7 HA LEU 7 -38.272 -96.692 -36.112 39 HB2 LEU 7 HB2 LEU 7 -37.273 -99.098 -34.637 40 HB3 LEU 7 HB3 LEU 7 -38.052 -97.798 -33.733 41 HG LEU 7 HG LEU 7 -39.390 -98.753 -36.227 42 HD11 LEU 7 HD11 LEU 7 -39.052-100.332 -33.699 43 HD12 LEU 7 HD12 LEU 7 -39.099-100.897 -35.368 44 HD13 LEU 7 HD13 LEU 7 -40.589-100.412 -34.559 45 HD21 LEU 7 HD21 LEU 7 -40.458 -98.010 -33.487 46 HD22 LEU 7 HD22 LEU 7 -41.379 -98.147 -34.984 47 HD23 LEU 7 HD23 LEU 7 -40.205 -96.846 -34.788 48 H LYS 8 H LYS 8 -37.749 -94.761 -35.325 49 HA LYS 8 HA LYS 8 -35.045 -94.085 -34.678 50 HB2 LYS 8 HB2 LYS 8 -37.572 -92.693 -35.073 51 HB3 LYS 8 HB3 LYS 8 -36.650 -92.022 -33.727 52 HG2 LYS 8 HG2 LYS 8 -34.718 -91.674 -35.121 53 HG3 LYS 8 HG3 LYS 8 -35.446 -92.579 -36.450 54 HD2 LYS 8 HD2 LYS 8 -37.164 -90.887 -36.734 55 HD3 LYS 8 HD3 LYS 8 -36.599 -90.020 -35.305 56 HE2 LYS 8 HE2 LYS 8 -34.536 -89.429 -36.367 57 HE3 LYS 8 HE3 LYS 8 -34.832 -90.540 -37.705 58 HZ1 LYS 8 HZ1 LYS 8 -35.373 -88.389 -38.468 59 HZ2 LYS 8 HZ2 LYS 8 -36.281 -88.033 -37.076 60 HZ3 LYS 8 HZ3 LYS 8 -36.852 -89.174 -38.198 61 HN1 NH2 9 HN1 NH2 9 -34.557 -92.970 -32.309 62 HN2 NH2 9 HN2 NH2 9 -35.834 -93.039 -31.193 63 H1 A2G 10 H1 A2G 10 -38.450 -97.367 -47.255 64 H2 A2G 10 H2 A2G 10 -37.946 -95.086 -48.019 65 HN2 A2G 10 HN2 A2G 10 -40.853 -95.425 -47.571 66 H3 A2G 10 H3 A2G 10 -40.176 -95.529 -50.022 67 HO3 A2G 10 HO3 A2G 10 -39.631 -93.478 -50.676 68 H4 A2G 10 H4 A2G 10 -38.440 -95.487 -51.723 69 HO4 A2G 10 HO4 A2G 10 -37.036 -94.104 -50.474 70 H5 A2G 10 H5 A2G 10 -38.936 -97.683 -50.744 71 H6 A2G 10 H6 A2G 10 -36.702 -97.047 -52.194 72 H8 A2G 10 H8 A2G 10 -40.544 -93.276 -44.726 73 H8A A2G 10 H8A A2G 10 -41.334 -94.810 -45.095 74 H8B A2G 10 H8B A2G 10 -41.588 -93.413 -46.141 75 H14 A2G 10 H14 A2G 10 -35.984 -97.846 -50.795 76 H15 A2G 10 H15 A2G 10 -38.112 -98.894 -52.346 77 H1 A2G 11 H1 A2G 11 -37.368 -94.819 -39.727 78 H2 A2G 11 H2 A2G 11 -39.054 -93.408 -38.628 79 HN2 A2G 11 HN2 A2G 11 -40.366 -95.554 -40.190 80 H3 A2G 11 H3 A2G 11 -40.379 -93.301 -41.352 81 HO3 A2G 11 HO3 A2G 11 -41.724 -93.268 -39.459 82 H4 A2G 11 H4 A2G 11 -39.773 -90.948 -41.377 83 HO4 A2G 11 HO4 A2G 11 -38.739 -90.012 -39.700 84 H5 A2G 11 H5 A2G 11 -38.106 -92.500 -42.293 85 H6 A2G 11 H6 A2G 11 -36.839 -90.324 -40.596 86 H8 A2G 11 H8 A2G 11 -42.158 -96.544 -38.319 87 H8A A2G 11 H8A A2G 11 -41.054 -97.245 -37.137 88 H8B A2G 11 H8B A2G 11 -40.794 -97.521 -38.859 89 H14 A2G 11 H14 A2G 11 -36.090 -91.099 -41.992 90 H15 A2G 11 H15 A2G 11 -38.104 -89.208 -41.865
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