NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
536567 | 2lhx | 17870 | 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 -29.068 -8.890 -35.163 2 H2 ACE 1 H2 ACE 1 -29.618 -7.362 -35.851 3 H3 ACE 1 H3 ACE 1 -29.632 -7.599 -34.103 4 HA PRO 2 HA PRO 2 -24.840 -7.762 -35.128 5 HB2 PRO 2 HB2 PRO 2 -24.612 -6.766 -37.822 6 HB3 PRO 2 HB3 PRO 2 -24.106 -8.340 -37.190 7 HG2 PRO 2 HG2 PRO 2 -26.497 -7.623 -38.706 8 HG3 PRO 2 HG3 PRO 2 -25.755 -9.209 -38.448 9 HD2 PRO 2 HD2 PRO 2 -28.127 -8.463 -37.299 10 HD3 PRO 2 HD3 PRO 2 -27.018 -9.641 -36.562 11 H THR 3 H THR 3 -24.398 -6.012 -33.899 12 HA THR 3 HA THR 3 -24.432 -3.375 -35.160 13 HB THR 3 HB THR 3 -25.703 -3.722 -32.448 14 HG1 THR 3 HG1 THR 3 -26.896 -4.850 -34.064 15 HG21 THR 3 HG21 THR 3 -26.074 -1.481 -32.559 16 HG22 THR 3 HG22 THR 3 -26.433 -1.528 -34.285 17 HG23 THR 3 HG23 THR 3 -24.758 -1.508 -33.732 18 H THR 4 H THR 4 -22.900 -1.982 -34.335 19 HA THR 4 HA THR 4 -21.351 -2.867 -31.994 20 HB THR 4 HB THR 4 -19.240 -2.388 -33.213 21 HG21 THR 4 HG21 THR 4 -19.120 -4.492 -34.202 22 HG22 THR 4 HG22 THR 4 -20.740 -4.372 -34.889 23 HG23 THR 4 HG23 THR 4 -20.534 -4.688 -33.166 24 H THR 5 H THR 5 -19.703 -1.098 -31.406 25 HA THR 5 HA THR 5 -21.150 1.453 -31.408 26 HB THR 5 HB THR 5 -19.116 1.913 -29.728 27 HG21 THR 5 HG21 THR 5 -21.470 0.150 -28.997 28 HG22 THR 5 HG22 THR 5 -21.579 1.894 -29.235 29 HG23 THR 5 HG23 THR 5 -20.594 1.243 -27.925 30 HA PRO 6 HA PRO 6 -18.695 3.739 -34.198 31 HB2 PRO 6 HB2 PRO 6 -17.723 5.668 -32.292 32 HB3 PRO 6 HB3 PRO 6 -19.024 5.859 -33.477 33 HG2 PRO 6 HG2 PRO 6 -19.180 5.312 -30.613 34 HG3 PRO 6 HG3 PRO 6 -20.418 5.933 -31.715 35 HD2 PRO 6 HD2 PRO 6 -20.498 3.414 -30.642 36 HD3 PRO 6 HD3 PRO 6 -21.222 3.825 -32.214 37 H LEU 7 H LEU 7 -16.999 2.360 -34.692 38 HA LEU 7 HA LEU 7 -14.969 1.224 -34.348 39 HB2 LEU 7 HB2 LEU 7 -14.709 3.592 -35.489 40 HB3 LEU 7 HB3 LEU 7 -13.837 3.970 -34.003 41 HG LEU 7 HG LEU 7 -12.670 1.631 -34.517 42 HD11 LEU 7 HD11 LEU 7 -14.071 1.189 -36.509 43 HD12 LEU 7 HD12 LEU 7 -12.367 1.327 -36.942 44 HD13 LEU 7 HD13 LEU 7 -13.467 2.669 -37.255 45 HD21 LEU 7 HD21 LEU 7 -11.514 3.794 -34.310 46 HD22 LEU 7 HD22 LEU 7 -12.015 4.230 -35.944 47 HD23 LEU 7 HD23 LEU 7 -10.888 2.897 -35.693 48 H LYS 8 H LYS 8 -12.739 2.728 -32.971 49 HA LYS 8 HA LYS 8 -13.099 1.508 -30.376 50 HB2 LYS 8 HB2 LYS 8 -10.801 2.165 -29.970 51 HB3 LYS 8 HB3 LYS 8 -10.920 1.491 -31.596 52 HG2 LYS 8 HG2 LYS 8 -9.913 3.395 -32.289 53 HG3 LYS 8 HG3 LYS 8 -11.467 4.176 -31.998 54 HD2 LYS 8 HD2 LYS 8 -10.782 4.671 -29.675 55 HD3 LYS 8 HD3 LYS 8 -9.221 3.907 -29.978 56 HE2 LYS 8 HE2 LYS 8 -8.729 5.554 -31.730 57 HE3 LYS 8 HE3 LYS 8 -10.308 6.301 -31.489 58 HZ1 LYS 8 HZ1 LYS 8 -8.249 7.275 -30.304 59 HZ2 LYS 8 HZ2 LYS 8 -8.468 5.991 -29.213 60 HZ3 LYS 8 HZ3 LYS 8 -9.705 7.131 -29.446 61 HN1 NH2 9 HN1 NH2 9 -11.927 3.857 -28.525 62 HN2 NH2 9 HN2 NH2 9 -13.554 3.572 -28.136 63 H1 A2G 10 H1 A2G 10 -18.820 -0.594 -34.375 64 H2 A2G 10 H2 A2G 10 -18.455 0.295 -36.637 65 HN2 A2G 10 HN2 A2G 10 -21.317 0.170 -35.889 66 H3 A2G 10 H3 A2G 10 -20.539 -1.730 -37.499 67 HO3 A2G 10 HO3 A2G 10 -20.687 -0.239 -38.980 68 H4 A2G 10 H4 A2G 10 -18.727 -2.863 -38.656 69 HO4 A2G 10 HO4 A2G 10 -17.555 -0.691 -38.731 70 H5 A2G 10 H5 A2G 10 -19.100 -3.532 -36.324 71 H6 A2G 10 H6 A2G 10 -16.831 -4.398 -35.817 72 H8 A2G 10 H8 A2G 10 -21.832 2.509 -34.855 73 H8A A2G 10 H8A A2G 10 -22.424 2.396 -36.512 74 H8B A2G 10 H8B A2G 10 -21.391 3.744 -36.034 75 H14 A2G 10 H14 A2G 10 -17.226 -4.591 -37.525 76 H15 A2G 10 H15 A2G 10 -16.018 -2.210 -36.782 77 H1 A2G 11 H1 A2G 11 -17.262 0.992 -29.554 78 H2 A2G 11 H2 A2G 11 -15.848 -0.853 -28.757 79 HN2 A2G 11 HN2 A2G 11 -17.471 -1.726 -31.074 80 H3 A2G 11 H3 A2G 11 -18.386 -2.506 -28.842 81 HO3 A2G 11 HO3 A2G 11 -16.104 -3.368 -27.563 82 H4 A2G 11 H4 A2G 11 -18.234 -2.572 -26.418 83 HO4 A2G 11 HO4 A2G 11 -15.748 -1.766 -26.924 84 H5 A2G 11 H5 A2G 11 -19.480 -0.682 -27.368 85 H6 A2G 11 H6 A2G 11 -18.543 -0.847 -24.805 86 H8 A2G 11 H8 A2G 11 -16.435 -2.183 -32.932 87 H8A A2G 11 H8A A2G 11 -14.684 -2.390 -32.875 88 H8B A2G 11 H8B A2G 11 -15.373 -0.811 -33.251 89 H14 A2G 11 H14 A2G 11 -17.955 0.748 -25.272 90 H15 A2G 11 H15 A2G 11 -20.197 1.043 -26.090 Start of MODEL 2 1 H1 ACE 1 H1 ACE 1 -24.560 -8.200 -33.075 2 H2 ACE 1 H2 ACE 1 -24.132 -9.395 -34.301 3 H3 ACE 1 H3 ACE 1 -25.816 -9.188 -33.819 4 HA PRO 2 HA PRO 2 -26.848 -6.213 -36.859 5 HB2 PRO 2 HB2 PRO 2 -27.083 -3.893 -35.167 6 HB3 PRO 2 HB3 PRO 2 -28.379 -4.897 -35.835 7 HG2 PRO 2 HG2 PRO 2 -27.215 -4.900 -33.158 8 HG3 PRO 2 HG3 PRO 2 -28.760 -5.554 -33.719 9 HD2 PRO 2 HD2 PRO 2 -26.651 -7.133 -32.971 10 HD3 PRO 2 HD3 PRO 2 -27.868 -7.638 -34.165 11 H THR 3 H THR 3 -25.125 -4.163 -34.504 12 HA THR 3 HA THR 3 -22.881 -3.842 -36.350 13 HB THR 3 HB THR 3 -23.053 -1.357 -36.237 14 HG1 THR 3 HG1 THR 3 -24.626 -0.459 -35.162 15 HG21 THR 3 HG21 THR 3 -24.698 -1.173 -37.969 16 HG22 THR 3 HG22 THR 3 -25.561 -2.598 -37.388 17 HG23 THR 3 HG23 THR 3 -23.973 -2.772 -38.137 18 H THR 4 H THR 4 -21.458 -1.913 -35.225 19 HA THR 4 HA THR 4 -20.990 -2.919 -32.496 20 HB THR 4 HB THR 4 -18.815 -1.402 -33.015 21 HG21 THR 4 HG21 THR 4 -18.833 -3.790 -32.379 22 HG22 THR 4 HG22 THR 4 -17.714 -3.496 -33.710 23 HG23 THR 4 HG23 THR 4 -19.289 -4.223 -34.027 24 H THR 5 H THR 5 -19.735 -1.025 -31.205 25 HA THR 5 HA THR 5 -21.731 1.114 -30.977 26 HB THR 5 HB THR 5 -20.097 1.530 -28.874 27 HG21 THR 5 HG21 THR 5 -22.129 -0.714 -28.936 28 HG22 THR 5 HG22 THR 5 -22.570 0.994 -28.921 29 HG23 THR 5 HG23 THR 5 -21.695 0.296 -27.558 30 HA PRO 6 HA PRO 6 -19.496 4.421 -32.732 31 HB2 PRO 6 HB2 PRO 6 -19.344 6.023 -30.343 32 HB3 PRO 6 HB3 PRO 6 -20.447 6.207 -31.716 33 HG2 PRO 6 HG2 PRO 6 -20.918 5.001 -29.098 34 HG3 PRO 6 HG3 PRO 6 -22.078 5.587 -30.298 35 HD2 PRO 6 HD2 PRO 6 -21.708 2.929 -29.751 36 HD3 PRO 6 HD3 PRO 6 -22.250 3.529 -31.335 37 H LEU 7 H LEU 7 -17.586 2.957 -32.798 38 HA LEU 7 HA LEU 7 -15.292 4.215 -31.685 39 HB2 LEU 7 HB2 LEU 7 -16.407 2.705 -29.790 40 HB3 LEU 7 HB3 LEU 7 -15.517 1.436 -30.633 41 HG LEU 7 HG LEU 7 -13.541 3.189 -30.534 42 HD11 LEU 7 HD11 LEU 7 -14.889 3.917 -27.955 43 HD12 LEU 7 HD12 LEU 7 -15.309 4.805 -29.418 44 HD13 LEU 7 HD13 LEU 7 -13.641 4.787 -28.846 45 HD21 LEU 7 HD21 LEU 7 -13.198 2.281 -28.045 46 HD22 LEU 7 HD22 LEU 7 -13.088 1.202 -29.436 47 HD23 LEU 7 HD23 LEU 7 -14.572 1.268 -28.485 48 H LYS 8 H LYS 8 -13.292 3.158 -32.351 49 HA LYS 8 HA LYS 8 -13.584 1.923 -34.947 50 HB2 LYS 8 HB2 LYS 8 -11.491 3.279 -33.450 51 HB3 LYS 8 HB3 LYS 8 -10.888 1.830 -34.254 52 HG2 LYS 8 HG2 LYS 8 -11.749 2.588 -36.392 53 HG3 LYS 8 HG3 LYS 8 -12.537 3.970 -35.629 54 HD2 LYS 8 HD2 LYS 8 -10.347 4.858 -34.944 55 HD3 LYS 8 HD3 LYS 8 -9.546 3.467 -35.676 56 HE2 LYS 8 HE2 LYS 8 -9.400 5.180 -37.316 57 HE3 LYS 8 HE3 LYS 8 -10.722 4.147 -37.859 58 HZ1 LYS 8 HZ1 LYS 8 -12.267 5.707 -37.378 59 HZ2 LYS 8 HZ2 LYS 8 -10.961 6.759 -37.652 60 HZ3 LYS 8 HZ3 LYS 8 -11.403 6.342 -36.065 61 HN1 NH2 9 HN1 NH2 9 -12.932 -1.062 -34.939 62 HN2 NH2 9 HN2 NH2 9 -11.383 -0.392 -34.761 63 H1 A2G 10 H1 A2G 10 -17.826 -0.387 -34.547 64 H2 A2G 10 H2 A2G 10 -17.297 0.074 -36.903 65 HN2 A2G 10 HN2 A2G 10 -20.194 0.230 -36.317 66 H3 A2G 10 H3 A2G 10 -19.456 -1.958 -37.527 67 HO3 A2G 10 HO3 A2G 10 -18.085 -0.032 -38.931 68 H4 A2G 10 H4 A2G 10 -17.663 -3.369 -38.364 69 HO4 A2G 10 HO4 A2G 10 -16.064 -1.159 -37.625 70 H5 A2G 10 H5 A2G 10 -18.191 -3.601 -35.978 71 H6 A2G 10 H6 A2G 10 -15.986 -4.459 -35.194 72 H8 A2G 10 H8 A2G 10 -20.768 2.612 -35.839 73 H8A A2G 10 H8A A2G 10 -21.052 2.437 -37.570 74 H8B A2G 10 H8B A2G 10 -20.022 3.737 -36.972 75 H14 A2G 10 H14 A2G 10 -16.342 -4.964 -36.845 76 H15 A2G 10 H15 A2G 10 -14.192 -3.857 -36.153 77 H1 A2G 11 H1 A2G 11 -18.090 0.889 -28.708 78 H2 A2G 11 H2 A2G 11 -16.493 -0.841 -28.001 79 HN2 A2G 11 HN2 A2G 11 -17.736 -1.447 -30.619 80 H3 A2G 11 H3 A2G 11 -18.715 -2.801 -28.635 81 HO3 A2G 11 HO3 A2G 11 -17.235 -4.284 -28.278 82 H4 A2G 11 H4 A2G 11 -18.809 -3.221 -26.244 83 HO4 A2G 11 HO4 A2G 11 -16.507 -1.727 -26.325 84 H5 A2G 11 H5 A2G 11 -20.233 -1.402 -27.073 85 H6 A2G 11 H6 A2G 11 -19.539 -1.823 -24.457 86 H8 A2G 11 H8 A2G 11 -16.374 -1.713 -32.345 87 H8A A2G 11 H8A A2G 11 -14.629 -1.665 -32.091 88 H8B A2G 11 H8B A2G 11 -15.529 -0.164 -32.318 89 H14 A2G 11 H14 A2G 11 -19.193 -0.102 -24.629 90 H15 A2G 11 H15 A2G 11 -21.390 -0.616 -24.030 Start of MODEL 3 1 H1 ACE 1 H1 ACE 1 -20.702 -7.157 -38.102 2 H2 ACE 1 H2 ACE 1 -21.449 -8.564 -37.342 3 H3 ACE 1 H3 ACE 1 -20.621 -7.361 -36.352 4 HA PRO 2 HA PRO 2 -25.416 -6.801 -36.796 5 HB2 PRO 2 HB2 PRO 2 -25.379 -6.466 -33.934 6 HB3 PRO 2 HB3 PRO 2 -26.171 -7.738 -34.879 7 HG2 PRO 2 HG2 PRO 2 -23.641 -7.804 -33.420 8 HG3 PRO 2 HG3 PRO 2 -24.657 -9.139 -33.984 9 HD2 PRO 2 HD2 PRO 2 -22.233 -8.531 -35.103 10 HD3 PRO 2 HD3 PRO 2 -23.557 -9.296 -36.010 11 H THR 3 H THR 3 -23.698 -5.297 -34.060 12 HA THR 3 HA THR 3 -23.756 -2.691 -35.382 13 HB THR 3 HB THR 3 -25.672 -2.099 -34.352 14 HG1 THR 3 HG1 THR 3 -25.367 -1.628 -32.073 15 HG21 THR 3 HG21 THR 3 -26.376 -4.347 -33.925 16 HG22 THR 3 HG22 THR 3 -26.594 -3.463 -32.414 17 HG23 THR 3 HG23 THR 3 -25.207 -4.532 -32.618 18 H THR 4 H THR 4 -22.365 -1.153 -34.417 19 HA THR 4 HA THR 4 -20.675 -2.114 -32.209 20 HB THR 4 HB THR 4 -18.801 -0.911 -33.748 21 HG21 THR 4 HG21 THR 4 -19.737 -3.784 -33.696 22 HG22 THR 4 HG22 THR 4 -18.410 -3.058 -32.789 23 HG23 THR 4 HG23 THR 4 -18.263 -3.292 -34.530 24 H THR 5 H THR 5 -19.792 -0.497 -30.931 25 HA THR 5 HA THR 5 -21.039 2.138 -31.258 26 HB THR 5 HB THR 5 -19.792 2.329 -28.884 27 HG21 THR 5 HG21 THR 5 -21.951 1.197 -27.952 28 HG22 THR 5 HG22 THR 5 -22.411 1.051 -29.647 29 HG23 THR 5 HG23 THR 5 -22.123 2.644 -28.946 30 HA PRO 6 HA PRO 6 -17.596 4.297 -32.857 31 HB2 PRO 6 HB2 PRO 6 -17.587 6.306 -30.791 32 HB3 PRO 6 HB3 PRO 6 -18.222 6.432 -32.439 33 HG2 PRO 6 HG2 PRO 6 -19.640 5.965 -29.928 34 HG3 PRO 6 HG3 PRO 6 -20.257 6.533 -31.486 35 HD2 PRO 6 HD2 PRO 6 -20.805 4.046 -30.486 36 HD3 PRO 6 HD3 PRO 6 -20.734 4.396 -32.229 37 H LEU 7 H LEU 7 -16.053 2.644 -32.316 38 HA LEU 7 HA LEU 7 -13.970 3.532 -30.598 39 HB2 LEU 7 HB2 LEU 7 -15.601 2.643 -28.905 40 HB3 LEU 7 HB3 LEU 7 -15.420 1.053 -29.648 41 HG LEU 7 HG LEU 7 -12.965 1.177 -29.238 42 HD11 LEU 7 HD11 LEU 7 -12.562 3.046 -27.326 43 HD12 LEU 7 HD12 LEU 7 -13.778 3.877 -28.296 44 HD13 LEU 7 HD13 LEU 7 -12.267 3.352 -29.038 45 HD21 LEU 7 HD21 LEU 7 -14.522 1.678 -26.688 46 HD22 LEU 7 HD22 LEU 7 -13.095 0.663 -26.897 47 HD23 LEU 7 HD23 LEU 7 -14.638 0.171 -27.597 48 H LYS 8 H LYS 8 -13.392 3.129 -32.985 49 HA LYS 8 HA LYS 8 -11.851 0.687 -33.090 50 HB2 LYS 8 HB2 LYS 8 -12.900 -0.399 -34.854 51 HB3 LYS 8 HB3 LYS 8 -14.286 0.218 -33.954 52 HG2 LYS 8 HG2 LYS 8 -14.046 2.322 -35.467 53 HG3 LYS 8 HG3 LYS 8 -13.079 1.273 -36.504 54 HD2 LYS 8 HD2 LYS 8 -14.950 -0.340 -36.613 55 HD3 LYS 8 HD3 LYS 8 -15.920 0.725 -35.595 56 HE2 LYS 8 HE2 LYS 8 -16.123 2.354 -37.263 57 HE3 LYS 8 HE3 LYS 8 -14.693 1.789 -38.125 58 HZ1 LYS 8 HZ1 LYS 8 -17.331 1.107 -38.613 59 HZ2 LYS 8 HZ2 LYS 8 -16.605 -0.283 -37.958 60 HZ3 LYS 8 HZ3 LYS 8 -15.946 0.452 -39.341 61 HN1 NH2 9 HN1 NH2 9 -12.794 3.776 -34.752 62 HN2 NH2 9 HN2 NH2 9 -11.133 4.118 -34.804 63 H1 A2G 10 H1 A2G 10 -18.113 -0.721 -35.571 64 H2 A2G 10 H2 A2G 10 -18.709 0.362 -37.696 65 HN2 A2G 10 HN2 A2G 10 -20.760 0.932 -35.639 66 H3 A2G 10 H3 A2G 10 -21.442 -0.877 -37.276 67 HO3 A2G 10 HO3 A2G 10 -20.562 1.209 -38.666 68 H4 A2G 10 H4 A2G 10 -20.930 -2.274 -39.196 69 HO4 A2G 10 HO4 A2G 10 -18.555 -2.139 -39.802 70 H5 A2G 10 H5 A2G 10 -20.235 -3.154 -37.014 71 H6 A2G 10 H6 A2G 10 -18.871 -4.851 -37.838 72 H8 A2G 10 H8 A2G 10 -20.495 2.927 -34.519 73 H8A A2G 10 H8A A2G 10 -20.888 3.826 -35.984 74 H8B A2G 10 H8B A2G 10 -19.360 4.118 -35.154 75 H14 A2G 10 H14 A2G 10 -19.491 -4.178 -39.345 76 H15 A2G 10 H15 A2G 10 -17.480 -2.704 -38.894 77 H1 A2G 11 H1 A2G 11 -18.085 1.269 -28.498 78 H2 A2G 11 H2 A2G 11 -16.858 -0.741 -27.826 79 HN2 A2G 11 HN2 A2G 11 -18.264 -1.071 -30.410 80 H3 A2G 11 H3 A2G 11 -19.447 -2.216 -28.379 81 HO3 A2G 11 HO3 A2G 11 -17.615 -3.571 -27.010 82 H4 A2G 11 H4 A2G 11 -19.521 -2.615 -25.977 83 HO4 A2G 11 HO4 A2G 11 -17.177 -1.019 -25.937 84 H5 A2G 11 H5 A2G 11 -20.610 -0.569 -26.783 85 H6 A2G 11 H6 A2G 11 -20.748 -0.857 -24.407 86 H8 A2G 11 H8 A2G 11 -17.069 -1.219 -32.206 87 H8A A2G 11 H8A A2G 11 -15.668 -2.268 -31.988 88 H8B A2G 11 H8B A2G 11 -15.458 -0.518 -32.061 89 H14 A2G 11 H14 A2G 11 -19.082 -0.322 -24.181 90 H15 A2G 11 H15 A2G 11 -21.380 1.139 -24.508 Start of MODEL 4 1 H1 ACE 1 H1 ACE 1 -26.765 -6.819 -39.312 2 H2 ACE 1 H2 ACE 1 -28.226 -6.273 -38.486 3 H3 ACE 1 H3 ACE 1 -27.688 -7.945 -38.318 4 HA PRO 2 HA PRO 2 -25.263 -7.331 -34.729 5 HB2 PRO 2 HB2 PRO 2 -22.645 -7.642 -35.893 6 HB3 PRO 2 HB3 PRO 2 -23.574 -8.822 -34.956 7 HG2 PRO 2 HG2 PRO 2 -23.212 -8.612 -37.845 8 HG3 PRO 2 HG3 PRO 2 -23.745 -9.989 -36.870 9 HD2 PRO 2 HD2 PRO 2 -25.420 -8.587 -38.524 10 HD3 PRO 2 HD3 PRO 2 -25.978 -9.427 -37.058 11 H THR 3 H THR 3 -25.478 -5.183 -34.204 12 HA THR 3 HA THR 3 -23.908 -3.169 -35.628 13 HB THR 3 HB THR 3 -25.140 -1.733 -33.746 14 HG1 THR 3 HG1 THR 3 -26.080 -4.204 -33.423 15 HG21 THR 3 HG21 THR 3 -25.626 -1.225 -35.975 16 HG22 THR 3 HG22 THR 3 -27.184 -1.803 -35.382 17 HG23 THR 3 HG23 THR 3 -26.152 -2.869 -36.337 18 H THR 4 H THR 4 -22.797 -1.488 -34.241 19 HA THR 4 HA THR 4 -21.605 -2.634 -31.807 20 HB THR 4 HB THR 4 -19.397 -1.530 -32.788 21 HG21 THR 4 HG21 THR 4 -18.768 -3.754 -33.657 22 HG22 THR 4 HG22 THR 4 -20.468 -4.226 -33.675 23 HG23 THR 4 HG23 THR 4 -19.660 -3.897 -32.142 24 H THR 5 H THR 5 -19.916 -0.772 -31.025 25 HA THR 5 HA THR 5 -21.623 1.586 -30.656 26 HB THR 5 HB THR 5 -19.531 2.014 -28.997 27 HG21 THR 5 HG21 THR 5 -20.918 0.968 -27.241 28 HG22 THR 5 HG22 THR 5 -21.863 0.145 -28.482 29 HG23 THR 5 HG23 THR 5 -21.911 1.904 -28.360 30 HA PRO 6 HA PRO 6 -19.053 4.231 -33.039 31 HB2 PRO 6 HB2 PRO 6 -19.161 6.448 -31.200 32 HB3 PRO 6 HB3 PRO 6 -20.129 6.186 -32.659 33 HG2 PRO 6 HG2 PRO 6 -21.084 6.136 -30.068 34 HG3 PRO 6 HG3 PRO 6 -21.895 5.445 -31.481 35 HD2 PRO 6 HD2 PRO 6 -20.360 4.065 -29.329 36 HD3 PRO 6 HD3 PRO 6 -21.723 3.472 -30.305 37 H LEU 7 H LEU 7 -17.021 3.172 -32.810 38 HA LEU 7 HA LEU 7 -14.976 4.750 -31.614 39 HB2 LEU 7 HB2 LEU 7 -15.970 3.520 -29.613 40 HB3 LEU 7 HB3 LEU 7 -15.334 2.041 -30.332 41 HG LEU 7 HG LEU 7 -13.402 4.268 -30.209 42 HD11 LEU 7 HD11 LEU 7 -12.973 3.945 -27.790 43 HD12 LEU 7 HD12 LEU 7 -14.401 2.917 -27.682 44 HD13 LEU 7 HD13 LEU 7 -14.574 4.627 -28.077 45 HD21 LEU 7 HD21 LEU 7 -12.792 1.996 -30.916 46 HD22 LEU 7 HD22 LEU 7 -13.362 1.349 -29.377 47 HD23 LEU 7 HD23 LEU 7 -11.952 2.408 -29.421 48 H LYS 8 H LYS 8 -13.075 4.361 -32.617 49 HA LYS 8 HA LYS 8 -13.026 2.389 -34.729 50 HB2 LYS 8 HB2 LYS 8 -12.047 4.662 -34.995 51 HB3 LYS 8 HB3 LYS 8 -10.829 4.247 -33.788 52 HG2 LYS 8 HG2 LYS 8 -9.917 2.516 -35.171 53 HG3 LYS 8 HG3 LYS 8 -11.278 2.608 -36.291 54 HD2 LYS 8 HD2 LYS 8 -10.615 4.894 -36.925 55 HD3 LYS 8 HD3 LYS 8 -9.262 4.819 -35.795 56 HE2 LYS 8 HE2 LYS 8 -9.535 2.667 -37.865 57 HE3 LYS 8 HE3 LYS 8 -8.896 4.238 -38.349 58 HZ1 LYS 8 HZ1 LYS 8 -6.961 3.447 -37.613 59 HZ2 LYS 8 HZ2 LYS 8 -7.687 2.181 -36.743 60 HZ3 LYS 8 HZ3 LYS 8 -7.568 3.730 -36.055 61 HN1 NH2 9 HN1 NH2 9 -10.894 2.208 -31.461 62 HN2 NH2 9 HN2 NH2 9 -9.769 2.178 -32.732 63 H1 A2G 10 H1 A2G 10 -18.524 -0.679 -34.483 64 H2 A2G 10 H2 A2G 10 -18.356 -0.248 -36.896 65 HN2 A2G 10 HN2 A2G 10 -21.041 0.380 -35.816 66 H3 A2G 10 H3 A2G 10 -20.916 -1.853 -37.117 67 HO3 A2G 10 HO3 A2G 10 -19.394 -0.248 -38.802 68 H4 A2G 10 H4 A2G 10 -19.587 -3.541 -38.245 69 HO4 A2G 10 HO4 A2G 10 -17.188 -2.309 -37.597 70 H5 A2G 10 H5 A2G 10 -19.680 -3.750 -35.804 71 H6 A2G 10 H6 A2G 10 -17.527 -4.964 -35.444 72 H8 A2G 10 H8 A2G 10 -21.495 2.515 -35.479 73 H8A A2G 10 H8A A2G 10 -21.337 3.153 -37.116 74 H8B A2G 10 H8B A2G 10 -20.268 3.730 -35.837 75 H14 A2G 10 H14 A2G 10 -18.285 -5.381 -36.980 76 H15 A2G 10 H15 A2G 10 -16.876 -4.011 -38.028 77 H1 A2G 11 H1 A2G 11 -17.833 1.113 -28.226 78 H2 A2G 11 H2 A2G 11 -16.435 -0.818 -27.628 79 HN2 A2G 11 HN2 A2G 11 -17.284 -0.850 -30.464 80 H3 A2G 11 H3 A2G 11 -18.608 -2.481 -28.928 81 HO3 A2G 11 HO3 A2G 11 -16.965 -3.904 -27.486 82 H4 A2G 11 H4 A2G 11 -19.085 -3.312 -26.694 83 HO4 A2G 11 HO4 A2G 11 -17.319 -1.394 -25.638 84 H5 A2G 11 H5 A2G 11 -20.291 -1.283 -27.370 85 H6 A2G 11 H6 A2G 11 -20.720 -2.103 -25.104 86 H8 A2G 11 H8 A2G 11 -15.784 -0.422 -31.977 87 H8A A2G 11 H8A A2G 11 -14.400 -1.461 -31.635 88 H8B A2G 11 H8B A2G 11 -14.261 0.286 -31.443 89 H14 A2G 11 H14 A2G 11 -19.323 -1.217 -24.493 90 H15 A2G 11 H15 A2G 11 -21.208 -0.036 -24.138 Start of MODEL 5 1 H1 ACE 1 H1 ACE 1 -22.683 -8.755 -34.802 2 H2 ACE 1 H2 ACE 1 -22.615 -9.045 -36.541 3 H3 ACE 1 H3 ACE 1 -23.727 -9.974 -35.535 4 HA PRO 2 HA PRO 2 -27.157 -7.290 -35.963 5 HB2 PRO 2 HB2 PRO 2 -27.201 -6.178 -33.306 6 HB3 PRO 2 HB3 PRO 2 -28.228 -7.454 -33.975 7 HG2 PRO 2 HG2 PRO 2 -25.883 -7.666 -32.248 8 HG3 PRO 2 HG3 PRO 2 -27.162 -8.845 -32.567 9 HD2 PRO 2 HD2 PRO 2 -24.601 -9.129 -33.495 10 HD3 PRO 2 HD3 PRO 2 -26.017 -9.811 -34.327 11 H THR 3 H THR 3 -25.144 -5.549 -33.581 12 HA THR 3 HA THR 3 -24.597 -3.440 -35.528 13 HB THR 3 HB THR 3 -25.340 -1.982 -33.282 14 HG1 THR 3 HG1 THR 3 -27.349 -2.749 -32.747 15 HG21 THR 3 HG21 THR 3 -25.709 -1.251 -35.551 16 HG22 THR 3 HG22 THR 3 -27.279 -1.317 -34.751 17 HG23 THR 3 HG23 THR 3 -26.800 -2.601 -35.861 18 H THR 4 H THR 4 -23.135 -1.746 -34.534 19 HA THR 4 HA THR 4 -21.490 -2.817 -32.341 20 HB THR 4 HB THR 4 -19.432 -2.294 -33.619 21 HG21 THR 4 HG21 THR 4 -21.045 -4.092 -35.394 22 HG22 THR 4 HG22 THR 4 -20.796 -4.559 -33.712 23 HG23 THR 4 HG23 THR 4 -19.409 -4.312 -34.773 24 H THR 5 H THR 5 -19.770 -1.110 -31.734 25 HA THR 5 HA THR 5 -21.182 1.448 -31.464 26 HB THR 5 HB THR 5 -19.260 1.866 -29.792 27 HG21 THR 5 HG21 THR 5 -21.683 0.292 -29.618 28 HG22 THR 5 HG22 THR 5 -20.989 1.392 -28.428 29 HG23 THR 5 HG23 THR 5 -20.484 -0.296 -28.467 30 HA PRO 6 HA PRO 6 -18.898 3.816 -34.331 31 HB2 PRO 6 HB2 PRO 6 -17.974 5.763 -32.419 32 HB3 PRO 6 HB3 PRO 6 -19.304 5.912 -33.578 33 HG2 PRO 6 HG2 PRO 6 -19.385 5.324 -30.719 34 HG3 PRO 6 HG3 PRO 6 -20.668 5.905 -31.791 35 HD2 PRO 6 HD2 PRO 6 -20.622 3.372 -30.748 36 HD3 PRO 6 HD3 PRO 6 -21.390 3.771 -32.302 37 H LEU 7 H LEU 7 -17.325 1.964 -34.354 38 HA LEU 7 HA LEU 7 -15.241 0.996 -33.795 39 HB2 LEU 7 HB2 LEU 7 -15.073 2.370 -35.889 40 HB3 LEU 7 HB3 LEU 7 -14.461 3.699 -34.905 41 HG LEU 7 HG LEU 7 -12.634 2.192 -34.094 42 HD11 LEU 7 HD11 LEU 7 -12.413 0.200 -35.916 43 HD12 LEU 7 HD12 LEU 7 -14.170 0.297 -35.790 44 HD13 LEU 7 HD13 LEU 7 -13.198 -0.013 -34.352 45 HD21 LEU 7 HD21 LEU 7 -12.992 2.869 -37.004 46 HD22 LEU 7 HD22 LEU 7 -11.542 2.014 -36.477 47 HD23 LEU 7 HD23 LEU 7 -11.915 3.606 -35.817 48 H LYS 8 H LYS 8 -15.528 1.135 -31.429 49 HA LYS 8 HA LYS 8 -14.920 1.825 -29.307 50 HB2 LYS 8 HB2 LYS 8 -12.877 0.722 -30.049 51 HB3 LYS 8 HB3 LYS 8 -12.330 2.207 -30.828 52 HG2 LYS 8 HG2 LYS 8 -11.925 3.285 -28.795 53 HG3 LYS 8 HG3 LYS 8 -13.036 2.240 -27.908 54 HD2 LYS 8 HD2 LYS 8 -11.483 0.342 -28.198 55 HD3 LYS 8 HD3 LYS 8 -10.370 1.389 -29.078 56 HE2 LYS 8 HE2 LYS 8 -10.871 2.815 -26.752 57 HE3 LYS 8 HE3 LYS 8 -10.802 1.143 -26.192 58 HZ1 LYS 8 HZ1 LYS 8 -8.742 2.613 -27.738 59 HZ2 LYS 8 HZ2 LYS 8 -8.697 0.934 -27.480 60 HZ3 LYS 8 HZ3 LYS 8 -8.608 2.001 -26.162 61 HN1 NH2 9 HN1 NH2 9 -12.644 4.712 -29.677 62 HN2 NH2 9 HN2 NH2 9 -13.340 4.879 -31.217 63 H1 A2G 10 H1 A2G 10 -19.034 -0.400 -34.638 64 H2 A2G 10 H2 A2G 10 -18.734 0.657 -36.836 65 HN2 A2G 10 HN2 A2G 10 -21.598 0.521 -36.096 66 H3 A2G 10 H3 A2G 10 -20.879 -1.265 -37.777 67 HO3 A2G 10 HO3 A2G 10 -19.539 -0.095 -39.720 68 H4 A2G 10 H4 A2G 10 -19.127 -2.330 -39.083 69 HO4 A2G 10 HO4 A2G 10 -17.918 -0.222 -39.112 70 H5 A2G 10 H5 A2G 10 -19.430 -3.173 -36.797 71 H6 A2G 10 H6 A2G 10 -17.327 -4.282 -36.562 72 H8 A2G 10 H8 A2G 10 -22.287 2.455 -34.913 73 H8A A2G 10 H8A A2G 10 -22.440 3.189 -36.509 74 H8B A2G 10 H8B A2G 10 -21.450 3.965 -35.273 75 H14 A2G 10 H14 A2G 10 -17.498 -3.965 -38.288 76 H15 A2G 10 H15 A2G 10 -15.434 -3.373 -37.393 77 H1 A2G 11 H1 A2G 11 -17.252 1.106 -30.841 78 H2 A2G 11 H2 A2G 11 -15.370 -0.302 -30.124 79 HN2 A2G 11 HN2 A2G 11 -17.506 -1.836 -31.484 80 H3 A2G 11 H3 A2G 11 -17.492 -2.079 -28.889 81 HO3 A2G 11 HO3 A2G 11 -14.681 -2.201 -28.643 82 H4 A2G 11 H4 A2G 11 -16.590 -1.391 -26.740 83 HO4 A2G 11 HO4 A2G 11 -14.452 -0.965 -27.812 84 H5 A2G 11 H5 A2G 11 -18.370 0.025 -27.664 85 H6 A2G 11 H6 A2G 11 -17.550 0.787 -25.543 86 H8 A2G 11 H8 A2G 11 -17.116 -2.421 -33.571 87 H8A A2G 11 H8A A2G 11 -15.685 -3.437 -33.404 88 H8B A2G 11 H8B A2G 11 -15.600 -1.940 -34.333 89 H14 A2G 11 H14 A2G 11 -16.102 1.477 -26.278 90 H15 A2G 11 H15 A2G 11 -18.571 2.362 -27.207 Start of MODEL 6 1 H1 ACE 1 H1 ACE 1 -27.263 -7.756 -39.224 2 H2 ACE 1 H2 ACE 1 -27.075 -6.081 -39.743 3 H3 ACE 1 H3 ACE 1 -28.495 -6.563 -38.814 4 HA PRO 2 HA PRO 2 -24.867 -7.273 -35.593 5 HB2 PRO 2 HB2 PRO 2 -22.578 -5.947 -36.731 6 HB3 PRO 2 HB3 PRO 2 -22.747 -7.652 -36.288 7 HG2 PRO 2 HG2 PRO 2 -22.929 -6.384 -38.912 8 HG3 PRO 2 HG3 PRO 2 -22.656 -8.082 -38.493 9 HD2 PRO 2 HD2 PRO 2 -24.994 -7.169 -39.590 10 HD3 PRO 2 HD3 PRO 2 -24.909 -8.590 -38.525 11 H THR 3 H THR 3 -23.972 -5.678 -34.081 12 HA THR 3 HA THR 3 -24.342 -2.862 -34.767 13 HB THR 3 HB THR 3 -26.533 -3.219 -34.009 14 HG1 THR 3 HG1 THR 3 -24.801 -2.404 -31.950 15 HG21 THR 3 HG21 THR 3 -26.300 -5.522 -33.279 16 HG22 THR 3 HG22 THR 3 -27.018 -4.586 -31.966 17 HG23 THR 3 HG23 THR 3 -25.311 -5.024 -31.905 18 H THR 4 H THR 4 -22.811 -1.654 -33.833 19 HA THR 4 HA THR 4 -21.572 -2.588 -31.331 20 HB THR 4 HB THR 4 -19.389 -1.617 -32.594 21 HG21 THR 4 HG21 THR 4 -19.547 -3.786 -31.450 22 HG22 THR 4 HG22 THR 4 -18.792 -3.984 -33.030 23 HG23 THR 4 HG23 THR 4 -20.478 -4.440 -32.796 24 H THR 5 H THR 5 -19.628 -0.652 -31.105 25 HA THR 5 HA THR 5 -21.275 1.730 -30.650 26 HB THR 5 HB THR 5 -18.727 2.218 -29.634 27 HG21 THR 5 HG21 THR 5 -19.882 1.574 -27.437 28 HG22 THR 5 HG22 THR 5 -21.278 1.143 -28.424 29 HG23 THR 5 HG23 THR 5 -20.687 2.804 -28.411 30 HA PRO 6 HA PRO 6 -19.392 4.104 -33.810 31 HB2 PRO 6 HB2 PRO 6 -19.114 6.508 -32.244 32 HB3 PRO 6 HB3 PRO 6 -20.396 6.090 -33.391 33 HG2 PRO 6 HG2 PRO 6 -20.701 6.322 -30.656 34 HG3 PRO 6 HG3 PRO 6 -21.808 5.482 -31.750 35 HD2 PRO 6 HD2 PRO 6 -19.768 4.343 -29.898 36 HD3 PRO 6 HD3 PRO 6 -21.309 3.649 -30.449 37 H LEU 7 H LEU 7 -17.547 2.804 -31.694 38 HA LEU 7 HA LEU 7 -15.294 4.532 -31.403 39 HB2 LEU 7 HB2 LEU 7 -16.014 1.805 -30.690 40 HB3 LEU 7 HB3 LEU 7 -14.343 1.918 -31.245 41 HG LEU 7 HG LEU 7 -14.037 3.866 -29.675 42 HD11 LEU 7 HD11 LEU 7 -16.854 3.623 -29.493 43 HD12 LEU 7 HD12 LEU 7 -15.817 4.747 -28.616 44 HD13 LEU 7 HD13 LEU 7 -16.210 3.179 -27.912 45 HD21 LEU 7 HD21 LEU 7 -13.631 2.479 -27.793 46 HD22 LEU 7 HD22 LEU 7 -13.519 1.384 -29.172 47 HD23 LEU 7 HD23 LEU 7 -14.981 1.413 -28.186 48 H LYS 8 H LYS 8 -13.133 4.019 -32.331 49 HA LYS 8 HA LYS 8 -13.332 3.855 -35.209 50 HB2 LYS 8 HB2 LYS 8 -11.068 4.531 -35.247 51 HB3 LYS 8 HB3 LYS 8 -11.759 5.375 -33.861 52 HG2 LYS 8 HG2 LYS 8 -10.991 3.253 -32.525 53 HG3 LYS 8 HG3 LYS 8 -9.915 3.001 -33.900 54 HD2 LYS 8 HD2 LYS 8 -9.302 5.521 -33.554 55 HD3 LYS 8 HD3 LYS 8 -9.970 5.282 -31.940 56 HE2 LYS 8 HE2 LYS 8 -7.628 4.814 -31.766 57 HE3 LYS 8 HE3 LYS 8 -8.446 3.251 -31.741 58 HZ1 LYS 8 HZ1 LYS 8 -6.550 3.252 -33.246 59 HZ2 LYS 8 HZ2 LYS 8 -7.238 4.525 -34.137 60 HZ3 LYS 8 HZ3 LYS 8 -7.999 3.007 -34.093 61 HN1 NH2 9 HN1 NH2 9 -11.753 0.786 -33.168 62 HN2 NH2 9 HN2 NH2 9 -13.430 1.035 -33.262 63 H1 A2G 10 H1 A2G 10 -18.458 -1.442 -34.411 64 H2 A2G 10 H2 A2G 10 -18.507 -1.204 -36.856 65 HN2 A2G 10 HN2 A2G 10 -20.968 -0.092 -35.643 66 H3 A2G 10 H3 A2G 10 -21.285 -2.399 -36.668 67 HO3 A2G 10 HO3 A2G 10 -21.352 -1.231 -38.432 68 H4 A2G 10 H4 A2G 10 -20.355 -4.336 -37.803 69 HO4 A2G 10 HO4 A2G 10 -17.778 -3.980 -37.615 70 H5 A2G 10 H5 A2G 10 -20.224 -4.358 -35.352 71 H6 A2G 10 H6 A2G 10 -18.718 -6.132 -35.178 72 H8 A2G 10 H8 A2G 10 -20.874 2.147 -35.189 73 H8A A2G 10 H8A A2G 10 -20.953 2.569 -36.900 74 H8B A2G 10 H8B A2G 10 -19.597 3.122 -35.917 75 H14 A2G 10 H14 A2G 10 -18.980 -6.084 -36.921 76 H15 A2G 10 H15 A2G 10 -16.920 -5.790 -37.052 77 H1 A2G 11 H1 A2G 11 -17.161 1.248 -28.829 78 H2 A2G 11 H2 A2G 11 -15.812 -0.760 -28.395 79 HN2 A2G 11 HN2 A2G 11 -17.214 -0.916 -30.999 80 H3 A2G 11 H3 A2G 11 -18.317 -2.299 -29.131 81 HO3 A2G 11 HO3 A2G 11 -16.888 -4.013 -28.294 82 H4 A2G 11 H4 A2G 11 -18.392 -2.977 -26.799 83 HO4 A2G 11 HO4 A2G 11 -16.000 -2.681 -26.645 84 H5 A2G 11 H5 A2G 11 -19.561 -0.890 -27.352 85 H6 A2G 11 H6 A2G 11 -18.994 -1.725 -24.864 86 H8 A2G 11 H8 A2G 11 -15.930 -1.182 -32.805 87 H8A A2G 11 H8A A2G 11 -14.177 -1.249 -32.628 88 H8B A2G 11 H8B A2G 11 -14.999 0.310 -32.676 89 H14 A2G 11 H14 A2G 11 -18.177 -0.163 -24.807 90 H15 A2G 11 H15 A2G 11 -20.213 0.303 -24.243 Start of MODEL 7 1 H1 ACE 1 H1 ACE 1 -22.725 -9.601 -34.003 2 H2 ACE 1 H2 ACE 1 -22.810 -8.344 -32.770 3 H3 ACE 1 H3 ACE 1 -21.361 -8.510 -33.761 4 HA PRO 2 HA PRO 2 -24.728 -7.223 -37.082 5 HB2 PRO 2 HB2 PRO 2 -26.995 -6.322 -35.552 6 HB3 PRO 2 HB3 PRO 2 -26.927 -7.635 -36.737 7 HG2 PRO 2 HG2 PRO 2 -26.879 -7.757 -33.820 8 HG3 PRO 2 HG3 PRO 2 -27.251 -9.023 -34.998 9 HD2 PRO 2 HD2 PRO 2 -24.956 -8.998 -33.504 10 HD3 PRO 2 HD3 PRO 2 -25.058 -9.743 -35.116 11 H THR 3 H THR 3 -25.610 -5.492 -34.084 12 HA THR 3 HA THR 3 -24.835 -2.960 -35.328 13 HB THR 3 HB THR 3 -25.826 -1.981 -33.233 14 HG1 THR 3 HG1 THR 3 -27.227 -3.858 -32.291 15 HG21 THR 3 HG21 THR 3 -27.169 -3.494 -35.341 16 HG22 THR 3 HG22 THR 3 -27.549 -1.900 -34.689 17 HG23 THR 3 HG23 THR 3 -28.154 -3.348 -33.886 18 H THR 4 H THR 4 -23.256 -1.591 -34.525 19 HA THR 4 HA THR 4 -21.590 -2.580 -32.308 20 HB THR 4 HB THR 4 -19.543 -2.146 -33.594 21 HG21 THR 4 HG21 THR 4 -21.195 -3.866 -35.410 22 HG22 THR 4 HG22 THR 4 -20.982 -4.364 -33.733 23 HG23 THR 4 HG23 THR 4 -19.575 -4.148 -34.774 24 H THR 5 H THR 5 -19.982 -0.878 -31.625 25 HA THR 5 HA THR 5 -21.355 1.714 -31.564 26 HB THR 5 HB THR 5 -19.319 2.040 -29.837 27 HG21 THR 5 HG21 THR 5 -21.810 0.418 -29.238 28 HG22 THR 5 HG22 THR 5 -21.762 2.177 -29.357 29 HG23 THR 5 HG23 THR 5 -20.870 1.355 -28.076 30 HA PRO 6 HA PRO 6 -18.788 4.007 -34.242 31 HB2 PRO 6 HB2 PRO 6 -17.821 5.867 -32.267 32 HB3 PRO 6 HB3 PRO 6 -19.089 6.116 -33.476 33 HG2 PRO 6 HG2 PRO 6 -19.326 5.501 -30.631 34 HG3 PRO 6 HG3 PRO 6 -20.524 6.176 -31.745 35 HD2 PRO 6 HD2 PRO 6 -20.681 3.633 -30.738 36 HD3 PRO 6 HD3 PRO 6 -21.359 4.098 -32.315 37 H LEU 7 H LEU 7 -17.116 2.588 -34.721 38 HA LEU 7 HA LEU 7 -15.121 1.399 -34.346 39 HB2 LEU 7 HB2 LEU 7 -14.769 3.720 -35.504 40 HB3 LEU 7 HB3 LEU 7 -13.987 4.153 -33.984 41 HG LEU 7 HG LEU 7 -12.802 1.777 -34.388 42 HD11 LEU 7 HD11 LEU 7 -14.126 1.511 -36.538 43 HD12 LEU 7 HD12 LEU 7 -12.378 1.364 -36.719 44 HD13 LEU 7 HD13 LEU 7 -13.191 2.856 -37.190 45 HD21 LEU 7 HD21 LEU 7 -11.537 3.786 -34.038 46 HD22 LEU 7 HD22 LEU 7 -12.080 4.470 -35.570 47 HD23 LEU 7 HD23 LEU 7 -10.966 3.103 -35.560 48 H LYS 8 H LYS 8 -12.893 2.886 -32.917 49 HA LYS 8 HA LYS 8 -13.303 1.636 -30.343 50 HB2 LYS 8 HB2 LYS 8 -11.012 3.311 -31.400 51 HB3 LYS 8 HB3 LYS 8 -11.003 2.417 -29.879 52 HG2 LYS 8 HG2 LYS 8 -11.499 0.325 -31.211 53 HG3 LYS 8 HG3 LYS 8 -11.226 1.273 -32.673 54 HD2 LYS 8 HD2 LYS 8 -9.223 0.848 -30.436 55 HD3 LYS 8 HD3 LYS 8 -9.168 0.093 -32.030 56 HE2 LYS 8 HE2 LYS 8 -9.285 2.596 -32.873 57 HE3 LYS 8 HE3 LYS 8 -8.649 2.945 -31.265 58 HZ1 LYS 8 HZ1 LYS 8 -6.711 2.580 -32.348 59 HZ2 LYS 8 HZ2 LYS 8 -7.403 1.537 -33.497 60 HZ3 LYS 8 HZ3 LYS 8 -7.051 0.970 -31.935 61 HN1 NH2 9 HN1 NH2 9 -11.706 3.890 -28.911 62 HN2 NH2 9 HN2 NH2 9 -12.532 5.349 -29.176 63 H1 A2G 10 H1 A2G 10 -19.085 -0.247 -34.576 64 H2 A2G 10 H2 A2G 10 -18.735 0.839 -36.754 65 HN2 A2G 10 HN2 A2G 10 -21.602 0.766 -36.010 66 H3 A2G 10 H3 A2G 10 -20.925 -1.007 -37.746 67 HO3 A2G 10 HO3 A2G 10 -19.780 0.028 -39.742 68 H4 A2G 10 H4 A2G 10 -19.192 -2.098 -39.054 69 HO4 A2G 10 HO4 A2G 10 -17.190 -0.686 -37.718 70 H5 A2G 10 H5 A2G 10 -19.538 -2.971 -36.787 71 H6 A2G 10 H6 A2G 10 -17.525 -4.193 -36.611 72 H8 A2G 10 H8 A2G 10 -22.341 2.687 -34.982 73 H8A A2G 10 H8A A2G 10 -22.327 3.547 -36.522 74 H8B A2G 10 H8B A2G 10 -21.400 4.169 -35.156 75 H14 A2G 10 H14 A2G 10 -17.564 -3.717 -38.309 76 H15 A2G 10 H15 A2G 10 -15.939 -2.835 -36.238 77 H1 A2G 11 H1 A2G 11 -17.688 1.030 -29.024 78 H2 A2G 11 H2 A2G 11 -16.554 -0.966 -28.149 79 HN2 A2G 11 HN2 A2G 11 -17.392 -1.403 -30.955 80 H3 A2G 11 H3 A2G 11 -18.925 -2.494 -29.256 81 HO3 A2G 11 HO3 A2G 11 -16.583 -3.306 -29.045 82 H4 A2G 11 H4 A2G 11 -19.510 -2.949 -26.943 83 HO4 A2G 11 HO4 A2G 11 -17.586 -2.942 -25.914 84 H5 A2G 11 H5 A2G 11 -20.439 -0.889 -27.903 85 H6 A2G 11 H6 A2G 11 -20.185 -1.458 -25.189 86 H8 A2G 11 H8 A2G 11 -15.675 -1.971 -32.358 87 H8A A2G 11 H8A A2G 11 -14.013 -1.661 -31.857 88 H8B A2G 11 H8B A2G 11 -15.048 -0.323 -32.360 89 H14 A2G 11 H14 A2G 11 -19.718 0.239 -25.300 90 H15 A2G 11 H15 A2G 11 -21.755 0.105 -26.829 Start of MODEL 8 1 H1 ACE 1 H1 ACE 1 -26.926 -8.234 -32.494 2 H2 ACE 1 H2 ACE 1 -26.444 -6.652 -31.880 3 H3 ACE 1 H3 ACE 1 -25.259 -7.952 -31.995 4 HA PRO 2 HA PRO 2 -26.372 -7.171 -36.702 5 HB2 PRO 2 HB2 PRO 2 -27.822 -4.681 -36.735 6 HB3 PRO 2 HB3 PRO 2 -28.362 -6.270 -37.299 7 HG2 PRO 2 HG2 PRO 2 -28.960 -4.880 -34.801 8 HG3 PRO 2 HG3 PRO 2 -29.807 -6.227 -35.577 9 HD2 PRO 2 HD2 PRO 2 -28.337 -6.505 -33.281 10 HD3 PRO 2 HD3 PRO 2 -28.572 -7.823 -34.451 11 H THR 3 H THR 3 -26.534 -3.971 -35.121 12 HA THR 3 HA THR 3 -24.132 -3.143 -36.567 13 HB THR 3 HB THR 3 -25.567 -1.360 -34.644 14 HG1 THR 3 HG1 THR 3 -27.250 -2.298 -35.756 15 HG21 THR 3 HG21 THR 3 -24.746 0.328 -36.004 16 HG22 THR 3 HG22 THR 3 -24.747 -0.691 -37.444 17 HG23 THR 3 HG23 THR 3 -23.492 -0.893 -36.221 18 H THR 4 H THR 4 -22.340 -2.144 -35.476 19 HA THR 4 HA THR 4 -21.842 -3.358 -32.840 20 HB THR 4 HB THR 4 -19.433 -2.391 -33.557 21 HG21 THR 4 HG21 THR 4 -19.969 -4.740 -33.021 22 HG22 THR 4 HG22 THR 4 -18.961 -4.636 -34.465 23 HG23 THR 4 HG23 THR 4 -20.692 -4.937 -34.618 24 H THR 5 H THR 5 -20.069 -1.889 -31.634 25 HA THR 5 HA THR 5 -21.444 0.660 -31.161 26 HB THR 5 HB THR 5 -20.039 0.718 -29.092 27 HG21 THR 5 HG21 THR 5 -21.740 -0.393 -28.124 28 HG22 THR 5 HG22 THR 5 -21.124 -1.929 -28.735 29 HG23 THR 5 HG23 THR 5 -22.225 -0.965 -29.719 30 HA PRO 6 HA PRO 6 -18.621 3.335 -33.152 31 HB2 PRO 6 HB2 PRO 6 -18.046 4.907 -30.807 32 HB3 PRO 6 HB3 PRO 6 -19.127 5.301 -32.151 33 HG2 PRO 6 HG2 PRO 6 -19.762 4.272 -29.494 34 HG3 PRO 6 HG3 PRO 6 -20.807 5.076 -30.674 35 HD2 PRO 6 HD2 PRO 6 -21.003 2.412 -30.073 36 HD3 PRO 6 HD3 PRO 6 -21.454 3.087 -31.655 37 H LEU 7 H LEU 7 -16.582 2.807 -33.667 38 HA LEU 7 HA LEU 7 -14.854 1.381 -31.906 39 HB2 LEU 7 HB2 LEU 7 -13.182 1.649 -33.717 40 HB3 LEU 7 HB3 LEU 7 -14.731 1.061 -34.321 41 HG LEU 7 HG LEU 7 -14.815 3.917 -34.320 42 HD11 LEU 7 HD11 LEU 7 -12.350 3.830 -34.343 43 HD12 LEU 7 HD12 LEU 7 -12.970 4.390 -35.896 44 HD13 LEU 7 HD13 LEU 7 -12.398 2.730 -35.721 45 HD21 LEU 7 HD21 LEU 7 -14.568 1.929 -36.601 46 HD22 LEU 7 HD22 LEU 7 -15.206 3.569 -36.717 47 HD23 LEU 7 HD23 LEU 7 -16.075 2.349 -35.786 48 H LYS 8 H LYS 8 -12.808 2.053 -31.083 49 HA LYS 8 HA LYS 8 -11.605 3.483 -29.721 50 HB2 LYS 8 HB2 LYS 8 -10.585 3.968 -31.864 51 HB3 LYS 8 HB3 LYS 8 -11.871 5.109 -32.259 52 HG2 LYS 8 HG2 LYS 8 -11.113 6.702 -30.740 53 HG3 LYS 8 HG3 LYS 8 -10.299 5.503 -29.734 54 HD2 LYS 8 HD2 LYS 8 -8.494 5.286 -31.257 55 HD3 LYS 8 HD3 LYS 8 -9.385 6.086 -32.552 56 HE2 LYS 8 HE2 LYS 8 -7.702 7.602 -31.565 57 HE3 LYS 8 HE3 LYS 8 -9.338 8.202 -31.291 58 HZ1 LYS 8 HZ1 LYS 8 -9.178 6.912 -29.105 59 HZ2 LYS 8 HZ2 LYS 8 -8.332 8.381 -29.228 60 HZ3 LYS 8 HZ3 LYS 8 -7.504 6.904 -29.378 61 HN1 NH2 9 HN1 NH2 9 -14.155 6.076 -31.060 62 HN2 NH2 9 HN2 NH2 9 -12.953 6.948 -30.239 63 H1 A2G 10 H1 A2G 10 -18.368 -1.566 -35.154 64 H2 A2G 10 H2 A2G 10 -17.985 -1.086 -37.533 65 HN2 A2G 10 HN2 A2G 10 -20.694 -0.247 -36.681 66 H3 A2G 10 H3 A2G 10 -20.652 -2.453 -37.983 67 HO3 A2G 10 HO3 A2G 10 -18.854 -0.980 -39.533 68 H4 A2G 10 H4 A2G 10 -19.384 -4.208 -39.087 69 HO4 A2G 10 HO4 A2G 10 -17.406 -2.333 -38.863 70 H5 A2G 10 H5 A2G 10 -19.703 -4.471 -36.668 71 H6 A2G 10 H6 A2G 10 -18.050 -6.118 -36.313 72 H8 A2G 10 H8 A2G 10 -20.840 1.997 -36.096 73 H8A A2G 10 H8A A2G 10 -20.757 2.415 -37.808 74 H8B A2G 10 H8B A2G 10 -19.593 3.102 -36.676 75 H14 A2G 10 H14 A2G 10 -18.138 -6.008 -38.071 76 H15 A2G 10 H15 A2G 10 -16.234 -4.848 -36.331 77 H1 A2G 11 H1 A2G 11 -17.786 0.530 -29.661 78 H2 A2G 11 H2 A2G 11 -15.855 -0.791 -28.909 79 HN2 A2G 11 HN2 A2G 11 -17.319 -2.083 -31.135 80 H3 A2G 11 H3 A2G 11 -17.800 -3.112 -28.801 81 HO3 A2G 11 HO3 A2G 11 -15.754 -3.778 -29.322 82 H4 A2G 11 H4 A2G 11 -17.509 -3.035 -26.389 83 HO4 A2G 11 HO4 A2G 11 -15.851 -0.803 -26.944 84 H5 A2G 11 H5 A2G 11 -19.302 -1.628 -27.304 85 H6 A2G 11 H6 A2G 11 -18.390 -1.485 -24.804 86 H8 A2G 11 H8 A2G 11 -16.155 -2.523 -32.985 87 H8A A2G 11 H8A A2G 11 -14.437 -2.128 -33.051 88 H8B A2G 11 H8B A2G 11 -15.641 -0.877 -33.360 89 H14 A2G 11 H14 A2G 11 -18.015 0.170 -25.286 90 H15 A2G 11 H15 A2G 11 -20.349 -0.075 -26.182 Start of MODEL 9 1 H1 ACE 1 H1 ACE 1 -27.917 -5.659 -39.383 2 H2 ACE 1 H2 ACE 1 -29.452 -5.854 -38.535 3 H3 ACE 1 H3 ACE 1 -28.444 -7.262 -38.871 4 HA PRO 2 HA PRO 2 -26.204 -7.187 -35.113 5 HB2 PRO 2 HB2 PRO 2 -23.647 -6.322 -36.123 6 HB3 PRO 2 HB3 PRO 2 -24.155 -7.961 -35.686 7 HG2 PRO 2 HG2 PRO 2 -23.954 -6.715 -38.319 8 HG3 PRO 2 HG3 PRO 2 -24.024 -8.428 -37.881 9 HD2 PRO 2 HD2 PRO 2 -26.087 -7.112 -39.112 10 HD3 PRO 2 HD3 PRO 2 -26.328 -8.510 -38.039 11 H THR 3 H THR 3 -24.697 -5.733 -33.731 12 HA THR 3 HA THR 3 -24.860 -2.893 -34.404 13 HB THR 3 HB THR 3 -25.762 -3.279 -31.678 14 HG1 THR 3 HG1 THR 3 -26.834 -5.061 -32.295 15 HG21 THR 3 HG21 THR 3 -27.019 -1.987 -34.116 16 HG22 THR 3 HG22 THR 3 -25.929 -1.189 -32.982 17 HG23 THR 3 HG23 THR 3 -27.519 -1.731 -32.444 18 H THR 4 H THR 4 -23.099 -1.841 -33.716 19 HA THR 4 HA THR 4 -21.580 -2.920 -31.437 20 HB THR 4 HB THR 4 -19.504 -2.242 -32.945 21 HG21 THR 4 HG21 THR 4 -19.344 -4.600 -33.649 22 HG22 THR 4 HG22 THR 4 -21.058 -4.822 -33.296 23 HG23 THR 4 HG23 THR 4 -19.925 -4.480 -31.988 24 H THR 5 H THR 5 -19.557 -1.261 -31.205 25 HA THR 5 HA THR 5 -20.846 1.348 -30.815 26 HB THR 5 HB THR 5 -18.305 1.471 -29.695 27 HG21 THR 5 HG21 THR 5 -20.190 2.328 -28.533 28 HG22 THR 5 HG22 THR 5 -19.634 0.976 -27.547 29 HG23 THR 5 HG23 THR 5 -21.033 0.781 -28.601 30 HA PRO 6 HA PRO 6 -18.439 3.383 -33.874 31 HB2 PRO 6 HB2 PRO 6 -17.769 5.677 -32.263 32 HB3 PRO 6 HB3 PRO 6 -19.065 5.518 -33.459 33 HG2 PRO 6 HG2 PRO 6 -19.417 5.781 -30.732 34 HG3 PRO 6 HG3 PRO 6 -20.624 5.175 -31.875 35 HD2 PRO 6 HD2 PRO 6 -18.902 3.655 -29.973 36 HD3 PRO 6 HD3 PRO 6 -20.526 3.269 -30.586 37 H LEU 7 H LEU 7 -16.393 3.250 -34.623 38 HA LEU 7 HA LEU 7 -14.269 2.372 -32.938 39 HB2 LEU 7 HB2 LEU 7 -14.510 1.801 -35.368 40 HB3 LEU 7 HB3 LEU 7 -14.064 3.463 -35.752 41 HG LEU 7 HG LEU 7 -11.945 3.133 -34.449 42 HD11 LEU 7 HD11 LEU 7 -11.503 0.472 -34.346 43 HD12 LEU 7 HD12 LEU 7 -13.241 0.485 -34.048 44 HD13 LEU 7 HD13 LEU 7 -12.157 1.380 -32.983 45 HD21 LEU 7 HD21 LEU 7 -10.915 1.565 -36.167 46 HD22 LEU 7 HD22 LEU 7 -11.817 2.921 -36.842 47 HD23 LEU 7 HD23 LEU 7 -12.543 1.314 -36.797 48 H LYS 8 H LYS 8 -12.460 3.448 -32.206 49 HA LYS 8 HA LYS 8 -12.759 6.294 -31.800 50 HB2 LYS 8 HB2 LYS 8 -11.898 4.904 -29.990 51 HB3 LYS 8 HB3 LYS 8 -10.551 4.382 -31.003 52 HG2 LYS 8 HG2 LYS 8 -9.456 6.401 -30.833 53 HG3 LYS 8 HG3 LYS 8 -10.954 7.319 -30.668 54 HD2 LYS 8 HD2 LYS 8 -11.238 6.476 -28.375 55 HD3 LYS 8 HD3 LYS 8 -9.760 5.526 -28.534 56 HE2 LYS 8 HE2 LYS 8 -8.634 7.795 -29.130 57 HE3 LYS 8 HE3 LYS 8 -10.066 8.519 -28.396 58 HZ1 LYS 8 HZ1 LYS 8 -9.118 8.192 -26.438 59 HZ2 LYS 8 HZ2 LYS 8 -7.824 7.342 -27.137 60 HZ3 LYS 8 HZ3 LYS 8 -9.237 6.517 -26.680 61 HN1 NH2 9 HN1 NH2 9 -11.781 5.122 -34.774 62 HN2 NH2 9 HN2 NH2 9 -10.100 5.061 -34.543 63 H1 A2G 10 H1 A2G 10 -18.905 -1.663 -34.859 64 H2 A2G 10 H2 A2G 10 -19.179 -1.484 -37.295 65 HN2 A2G 10 HN2 A2G 10 -21.530 -0.412 -35.848 66 H3 A2G 10 H3 A2G 10 -21.890 -2.758 -36.833 67 HO3 A2G 10 HO3 A2G 10 -20.892 -2.637 -39.352 68 H4 A2G 10 H4 A2G 10 -21.003 -4.692 -38.006 69 HO4 A2G 10 HO4 A2G 10 -18.661 -4.638 -38.406 70 H5 A2G 10 H5 A2G 10 -20.653 -4.652 -35.576 71 H6 A2G 10 H6 A2G 10 -19.075 -6.372 -35.499 72 H8 A2G 10 H8 A2G 10 -21.543 1.843 -35.576 73 H8A A2G 10 H8A A2G 10 -21.801 2.166 -37.290 74 H8B A2G 10 H8B A2G 10 -20.389 2.833 -36.471 75 H14 A2G 10 H14 A2G 10 -19.503 -6.380 -37.210 76 H15 A2G 10 H15 A2G 10 -17.454 -4.692 -36.344 77 H1 A2G 11 H1 A2G 11 -17.118 0.385 -28.463 78 H2 A2G 11 H2 A2G 11 -15.863 -1.711 -28.190 79 HN2 A2G 11 HN2 A2G 11 -16.834 -1.405 -30.971 80 H3 A2G 11 H3 A2G 11 -18.226 -3.017 -29.564 81 HO3 A2G 11 HO3 A2G 11 -16.403 -4.562 -28.274 82 H4 A2G 11 H4 A2G 11 -18.671 -4.089 -27.429 83 HO4 A2G 11 HO4 A2G 11 -16.711 -2.468 -26.234 84 H5 A2G 11 H5 A2G 11 -19.729 -1.901 -27.777 85 H6 A2G 11 H6 A2G 11 -19.521 -3.175 -25.403 86 H8 A2G 11 H8 A2G 11 -15.275 -1.379 -32.561 87 H8A A2G 11 H8A A2G 11 -13.571 -1.468 -32.114 88 H8B A2G 11 H8B A2G 11 -14.415 0.080 -32.067 89 H14 A2G 11 H14 A2G 11 -18.783 -1.633 -24.966 90 H15 A2G 11 H15 A2G 11 -21.250 -1.836 -26.332 Start of MODEL 10 1 H1 ACE 1 H1 ACE 1 -30.319 -4.369 -34.349 2 H2 ACE 1 H2 ACE 1 -30.527 -6.101 -34.606 3 H3 ACE 1 H3 ACE 1 -30.259 -5.031 -35.982 4 HA PRO 2 HA PRO 2 -26.310 -7.183 -34.166 5 HB2 PRO 2 HB2 PRO 2 -25.723 -7.842 -36.908 6 HB3 PRO 2 HB3 PRO 2 -26.055 -8.945 -35.564 7 HG2 PRO 2 HG2 PRO 2 -27.818 -8.041 -37.708 8 HG3 PRO 2 HG3 PRO 2 -27.967 -9.440 -36.637 9 HD2 PRO 2 HD2 PRO 2 -29.589 -7.241 -36.458 10 HD3 PRO 2 HD3 PRO 2 -29.197 -8.275 -35.066 11 H THR 3 H THR 3 -25.132 -5.375 -33.727 12 HA THR 3 HA THR 3 -23.764 -4.080 -35.962 13 HB THR 3 HB THR 3 -25.875 -2.763 -35.462 14 HG1 THR 3 HG1 THR 3 -24.788 -0.932 -35.807 15 HG21 THR 3 HG21 THR 3 -25.322 -3.219 -32.872 16 HG22 THR 3 HG22 THR 3 -26.235 -1.807 -33.406 17 HG23 THR 3 HG23 THR 3 -24.512 -1.663 -33.055 18 H THR 4 H THR 4 -22.492 -2.071 -34.641 19 HA THR 4 HA THR 4 -21.227 -3.294 -32.282 20 HB THR 4 HB THR 4 -19.027 -2.310 -33.438 21 HG21 THR 4 HG21 THR 4 -20.280 -4.985 -34.127 22 HG22 THR 4 HG22 THR 4 -19.353 -4.634 -32.668 23 HG23 THR 4 HG23 THR 4 -18.564 -4.596 -34.245 24 H THR 5 H THR 5 -19.470 -1.603 -31.473 25 HA THR 5 HA THR 5 -20.935 0.918 -31.146 26 HB THR 5 HB THR 5 -19.313 1.296 -29.276 27 HG21 THR 5 HG21 THR 5 -21.554 -0.027 -29.138 28 HG22 THR 5 HG22 THR 5 -20.420 -0.153 -27.793 29 HG23 THR 5 HG23 THR 5 -20.520 -1.448 -28.985 30 HA PRO 6 HA PRO 6 -18.513 3.458 -33.748 31 HB2 PRO 6 HB2 PRO 6 -17.777 5.328 -31.684 32 HB3 PRO 6 HB3 PRO 6 -19.021 5.505 -32.930 33 HG2 PRO 6 HG2 PRO 6 -19.296 4.781 -30.116 34 HG3 PRO 6 HG3 PRO 6 -20.510 5.386 -31.250 35 HD2 PRO 6 HD2 PRO 6 -20.480 2.808 -30.326 36 HD3 PRO 6 HD3 PRO 6 -21.143 3.264 -31.912 37 H LEU 7 H LEU 7 -16.435 3.359 -34.424 38 HA LEU 7 HA LEU 7 -14.470 1.981 -32.887 39 HB2 LEU 7 HB2 LEU 7 -12.963 2.499 -34.773 40 HB3 LEU 7 HB3 LEU 7 -14.509 1.864 -35.335 41 HG LEU 7 HG LEU 7 -14.963 4.598 -35.179 42 HD11 LEU 7 HD11 LEU 7 -12.529 4.955 -34.854 43 HD12 LEU 7 HD12 LEU 7 -13.086 5.626 -36.387 44 HD13 LEU 7 HD13 LEU 7 -12.214 4.093 -36.360 45 HD21 LEU 7 HD21 LEU 7 -14.845 4.465 -37.679 46 HD22 LEU 7 HD22 LEU 7 -15.754 3.135 -36.962 47 HD23 LEU 7 HD23 LEU 7 -14.102 2.874 -37.523 48 H LYS 8 H LYS 8 -12.941 2.732 -31.549 49 HA LYS 8 HA LYS 8 -11.951 5.440 -31.709 50 HB2 LYS 8 HB2 LYS 8 -12.608 5.949 -29.316 51 HB3 LYS 8 HB3 LYS 8 -13.935 5.966 -30.479 52 HG2 LYS 8 HG2 LYS 8 -14.761 3.880 -29.752 53 HG3 LYS 8 HG3 LYS 8 -13.246 3.458 -28.953 54 HD2 LYS 8 HD2 LYS 8 -13.622 5.257 -27.298 55 HD3 LYS 8 HD3 LYS 8 -15.148 5.658 -28.088 56 HE2 LYS 8 HE2 LYS 8 -16.088 4.169 -26.665 57 HE3 LYS 8 HE3 LYS 8 -15.364 2.928 -27.688 58 HZ1 LYS 8 HZ1 LYS 8 -14.346 2.325 -25.803 59 HZ2 LYS 8 HZ2 LYS 8 -14.599 3.826 -25.049 60 HZ3 LYS 8 HZ3 LYS 8 -13.302 3.622 -26.126 61 HN1 NH2 9 HN1 NH2 9 -9.292 3.625 -31.026 62 HN2 NH2 9 HN2 NH2 9 -10.539 2.619 -31.587 63 H1 A2G 10 H1 A2G 10 -18.246 -1.563 -35.226 64 H2 A2G 10 H2 A2G 10 -18.229 -1.251 -37.663 65 HN2 A2G 10 HN2 A2G 10 -20.833 -0.473 -36.484 66 H3 A2G 10 H3 A2G 10 -20.852 -2.770 -37.626 67 HO3 A2G 10 HO3 A2G 10 -21.045 -1.983 -39.544 68 H4 A2G 10 H4 A2G 10 -19.655 -4.544 -38.776 69 HO4 A2G 10 HO4 A2G 10 -17.145 -3.611 -38.352 70 H5 A2G 10 H5 A2G 10 -19.615 -4.633 -36.323 71 H6 A2G 10 H6 A2G 10 -17.798 -6.143 -36.080 72 H8 A2G 10 H8 A2G 10 -20.953 1.895 -36.049 73 H8A A2G 10 H8A A2G 10 -21.313 1.939 -37.775 74 H8B A2G 10 H8B A2G 10 -20.007 2.928 -37.122 75 H14 A2G 10 H14 A2G 10 -18.209 -6.227 -37.793 76 H15 A2G 10 H15 A2G 10 -16.396 -5.270 -38.295 77 H1 A2G 11 H1 A2G 11 -17.138 1.154 -30.016 78 H2 A2G 11 H2 A2G 11 -15.059 0.003 -29.393 79 HN2 A2G 11 HN2 A2G 11 -16.673 -1.565 -31.318 80 H3 A2G 11 H3 A2G 11 -16.835 -2.399 -28.877 81 HO3 A2G 11 HO3 A2G 11 -14.207 -2.253 -28.035 82 H4 A2G 11 H4 A2G 11 -16.283 -2.102 -26.529 83 HO4 A2G 11 HO4 A2G 11 -14.876 -0.614 -25.865 84 H5 A2G 11 H5 A2G 11 -18.248 -0.872 -27.337 85 H6 A2G 11 H6 A2G 11 -17.066 -0.467 -24.979 86 H8 A2G 11 H8 A2G 11 -15.656 -2.172 -33.198 87 H8A A2G 11 H8A A2G 11 -13.984 -1.689 -33.479 88 H8B A2G 11 H8B A2G 11 -15.298 -0.576 -33.857 89 H14 A2G 11 H14 A2G 11 -16.860 1.158 -25.630 90 H15 A2G 11 H15 A2G 11 -18.829 1.381 -24.920 Start of MODEL 11 1 H1 ACE 1 H1 ACE 1 -21.888 -8.848 -34.998 2 H2 ACE 1 H2 ACE 1 -22.768 -7.942 -33.767 3 H3 ACE 1 H3 ACE 1 -21.010 -7.832 -33.856 4 HA PRO 2 HA PRO 2 -22.381 -5.805 -38.103 5 HB2 PRO 2 HB2 PRO 2 -25.212 -5.344 -37.842 6 HB3 PRO 2 HB3 PRO 2 -24.369 -6.319 -39.055 7 HG2 PRO 2 HG2 PRO 2 -25.785 -7.164 -36.646 8 HG3 PRO 2 HG3 PRO 2 -25.326 -8.102 -38.075 9 HD2 PRO 2 HD2 PRO 2 -24.130 -8.418 -35.631 10 HD3 PRO 2 HD3 PRO 2 -23.298 -8.740 -37.170 11 H THR 3 H THR 3 -24.513 -5.054 -35.338 12 HA THR 3 HA THR 3 -23.981 -2.196 -35.663 13 HB THR 3 HB THR 3 -26.252 -2.605 -35.191 14 HG1 THR 3 HG1 THR 3 -25.713 -1.006 -33.842 15 HG21 THR 3 HG21 THR 3 -26.424 -4.829 -34.543 16 HG22 THR 3 HG22 THR 3 -26.741 -4.013 -33.013 17 HG23 THR 3 HG23 THR 3 -25.143 -4.684 -33.340 18 H THR 4 H THR 4 -22.662 -1.029 -34.385 19 HA THR 4 HA THR 4 -21.644 -2.236 -31.901 20 HB THR 4 HB THR 4 -19.379 -1.078 -32.756 21 HG21 THR 4 HG21 THR 4 -18.658 -3.322 -33.486 22 HG22 THR 4 HG22 THR 4 -20.343 -3.832 -33.583 23 HG23 THR 4 HG23 THR 4 -19.635 -3.421 -32.021 24 H THR 5 H THR 5 -20.120 -0.473 -30.831 25 HA THR 5 HA THR 5 -21.765 1.952 -30.659 26 HB THR 5 HB THR 5 -19.965 2.251 -28.676 27 HG21 THR 5 HG21 THR 5 -21.644 1.348 -27.196 28 HG22 THR 5 HG22 THR 5 -22.311 0.346 -28.485 29 HG23 THR 5 HG23 THR 5 -22.484 2.100 -28.552 30 HA PRO 6 HA PRO 6 -19.181 4.763 -32.763 31 HB2 PRO 6 HB2 PRO 6 -18.662 6.484 -30.511 32 HB3 PRO 6 HB3 PRO 6 -19.803 6.734 -31.841 33 HG2 PRO 6 HG2 PRO 6 -20.294 5.792 -29.122 34 HG3 PRO 6 HG3 PRO 6 -21.424 6.461 -30.307 35 HD2 PRO 6 HD2 PRO 6 -21.408 3.820 -29.577 36 HD3 PRO 6 HD3 PRO 6 -21.950 4.385 -31.174 37 H LEU 7 H LEU 7 -17.512 3.024 -32.800 38 HA LEU 7 HA LEU 7 -14.999 4.004 -31.904 39 HB2 LEU 7 HB2 LEU 7 -16.290 2.707 -29.886 40 HB3 LEU 7 HB3 LEU 7 -15.412 1.372 -30.636 41 HG LEU 7 HG LEU 7 -13.399 3.072 -30.615 42 HD11 LEU 7 HD11 LEU 7 -15.174 4.101 -28.378 43 HD12 LEU 7 HD12 LEU 7 -14.735 4.990 -29.837 44 HD13 LEU 7 HD13 LEU 7 -13.497 4.575 -28.650 45 HD21 LEU 7 HD21 LEU 7 -14.525 1.366 -28.426 46 HD22 LEU 7 HD22 LEU 7 -13.112 2.357 -28.066 47 HD23 LEU 7 HD23 LEU 7 -13.041 1.156 -29.356 48 H LYS 8 H LYS 8 -13.226 2.380 -32.376 49 HA LYS 8 HA LYS 8 -13.879 0.180 -34.130 50 HB2 LYS 8 HB2 LYS 8 -14.020 2.376 -35.511 51 HB3 LYS 8 HB3 LYS 8 -12.261 2.381 -35.384 52 HG2 LYS 8 HG2 LYS 8 -12.180 0.112 -36.350 53 HG3 LYS 8 HG3 LYS 8 -13.940 0.102 -36.477 54 HD2 LYS 8 HD2 LYS 8 -13.960 1.694 -38.181 55 HD3 LYS 8 HD3 LYS 8 -12.384 2.345 -37.731 56 HE2 LYS 8 HE2 LYS 8 -12.530 0.863 -39.861 57 HE3 LYS 8 HE3 LYS 8 -11.223 0.550 -38.720 58 HZ1 LYS 8 HZ1 LYS 8 -13.622 -1.023 -39.278 59 HZ2 LYS 8 HZ2 LYS 8 -13.042 -1.018 -37.682 60 HZ3 LYS 8 HZ3 LYS 8 -12.040 -1.541 -38.952 61 HN1 NH2 9 HN1 NH2 9 -10.651 0.913 -32.043 62 HN2 NH2 9 HN2 NH2 9 -11.108 2.295 -32.918 63 H1 A2G 10 H1 A2G 10 -18.432 -0.272 -34.434 64 H2 A2G 10 H2 A2G 10 -18.128 0.049 -36.852 65 HN2 A2G 10 HN2 A2G 10 -20.892 0.647 -35.971 66 H3 A2G 10 H3 A2G 10 -20.620 -1.649 -37.140 67 HO3 A2G 10 HO3 A2G 10 -19.414 -1.408 -39.394 68 H4 A2G 10 H4 A2G 10 -19.166 -3.332 -38.120 69 HO4 A2G 10 HO4 A2G 10 -16.883 -1.925 -37.362 70 H5 A2G 10 H5 A2G 10 -19.432 -3.427 -35.682 71 H6 A2G 10 H6 A2G 10 -17.187 -4.493 -35.123 72 H8 A2G 10 H8 A2G 10 -20.909 3.184 -35.409 73 H8A A2G 10 H8A A2G 10 -21.583 2.894 -37.013 74 H8B A2G 10 H8B A2G 10 -20.290 4.074 -36.801 75 H14 A2G 10 H14 A2G 10 -17.974 -5.121 -36.570 76 H15 A2G 10 H15 A2G 10 -15.650 -4.488 -36.678 77 H1 A2G 11 H1 A2G 11 -18.087 1.336 -28.489 78 H2 A2G 11 H2 A2G 11 -16.724 -0.570 -27.748 79 HN2 A2G 11 HN2 A2G 11 -18.122 -1.100 -30.305 80 H3 A2G 11 H3 A2G 11 -19.216 -2.223 -28.238 81 HO3 A2G 11 HO3 A2G 11 -17.723 -3.679 -28.411 82 H4 A2G 11 H4 A2G 11 -19.291 -2.531 -25.828 83 HO4 A2G 11 HO4 A2G 11 -17.112 -0.725 -25.715 84 H5 A2G 11 H5 A2G 11 -20.473 -0.563 -26.700 85 H6 A2G 11 H6 A2G 11 -20.277 -0.959 -24.202 86 H8 A2G 11 H8 A2G 11 -16.936 -1.471 -32.069 87 H8A A2G 11 H8A A2G 11 -15.326 -2.127 -31.770 88 H8B A2G 11 H8B A2G 11 -15.528 -0.410 -32.117 89 H14 A2G 11 H14 A2G 11 -18.963 0.219 -24.190 90 H15 A2G 11 H15 A2G 11 -21.663 0.621 -24.934 Start of MODEL 12 1 H1 ACE 1 H1 ACE 1 -29.662 -5.118 -38.008 2 H2 ACE 1 H2 ACE 1 -29.958 -6.666 -37.216 3 H3 ACE 1 H3 ACE 1 -28.646 -6.510 -38.385 4 HA PRO 2 HA PRO 2 -27.419 -5.936 -33.727 5 HB2 PRO 2 HB2 PRO 2 -25.281 -7.771 -34.332 6 HB3 PRO 2 HB3 PRO 2 -26.624 -7.988 -33.199 7 HG2 PRO 2 HG2 PRO 2 -26.290 -9.023 -35.909 8 HG3 PRO 2 HG3 PRO 2 -27.373 -9.563 -34.618 9 HD2 PRO 2 HD2 PRO 2 -28.254 -8.271 -36.867 10 HD3 PRO 2 HD3 PRO 2 -29.094 -8.182 -35.302 11 H THR 3 H THR 3 -26.591 -3.891 -33.976 12 HA THR 3 HA THR 3 -24.314 -3.445 -35.756 13 HB THR 3 HB THR 3 -25.998 -1.741 -35.840 14 HG1 THR 3 HG1 THR 3 -24.549 -0.239 -35.760 15 HG21 THR 3 HG21 THR 3 -25.751 -1.782 -32.829 16 HG22 THR 3 HG22 THR 3 -27.190 -2.079 -33.803 17 HG23 THR 3 HG23 THR 3 -26.518 -0.452 -33.696 18 H THR 4 H THR 4 -22.402 -2.308 -34.961 19 HA THR 4 HA THR 4 -21.648 -3.278 -32.285 20 HB THR 4 HB THR 4 -19.310 -2.462 -33.305 21 HG21 THR 4 HG21 THR 4 -20.733 -5.023 -34.088 22 HG22 THR 4 HG22 THR 4 -19.865 -4.756 -32.576 23 HG23 THR 4 HG23 THR 4 -18.987 -4.772 -34.106 24 H THR 5 H THR 5 -19.655 -1.697 -31.530 25 HA THR 5 HA THR 5 -20.994 0.869 -31.056 26 HB THR 5 HB THR 5 -19.186 1.129 -29.307 27 HG21 THR 5 HG21 THR 5 -20.234 -0.400 -27.759 28 HG22 THR 5 HG22 THR 5 -20.783 -1.436 -29.077 29 HG23 THR 5 HG23 THR 5 -21.482 0.170 -28.867 30 HA PRO 6 HA PRO 6 -18.641 3.390 -33.735 31 HB2 PRO 6 HB2 PRO 6 -17.684 5.162 -31.675 32 HB3 PRO 6 HB3 PRO 6 -19.002 5.431 -32.825 33 HG2 PRO 6 HG2 PRO 6 -19.116 4.629 -30.020 34 HG3 PRO 6 HG3 PRO 6 -20.377 5.321 -31.050 35 HD2 PRO 6 HD2 PRO 6 -20.398 2.716 -30.204 36 HD3 PRO 6 HD3 PRO 6 -21.147 3.250 -31.727 37 H LEU 7 H LEU 7 -16.407 4.193 -34.123 38 HA LEU 7 HA LEU 7 -14.470 2.220 -33.444 39 HB2 LEU 7 HB2 LEU 7 -14.714 4.268 -35.349 40 HB3 LEU 7 HB3 LEU 7 -13.287 4.678 -34.396 41 HG LEU 7 HG LEU 7 -12.631 3.225 -36.246 42 HD11 LEU 7 HD11 LEU 7 -12.491 1.196 -34.134 43 HD12 LEU 7 HD12 LEU 7 -12.045 2.807 -33.570 44 HD13 LEU 7 HD13 LEU 7 -11.189 2.080 -34.930 45 HD21 LEU 7 HD21 LEU 7 -14.007 1.597 -36.975 46 HD22 LEU 7 HD22 LEU 7 -15.129 1.987 -35.671 47 HD23 LEU 7 HD23 LEU 7 -13.877 0.769 -35.423 48 H LYS 8 H LYS 8 -13.175 2.095 -31.728 49 HA LYS 8 HA LYS 8 -11.998 2.663 -29.838 50 HB2 LYS 8 HB2 LYS 8 -10.651 4.406 -30.239 51 HB3 LYS 8 HB3 LYS 8 -11.673 4.850 -31.607 52 HG2 LYS 8 HG2 LYS 8 -13.158 6.109 -30.060 53 HG3 LYS 8 HG3 LYS 8 -12.069 5.718 -28.729 54 HD2 LYS 8 HD2 LYS 8 -10.399 6.741 -30.733 55 HD3 LYS 8 HD3 LYS 8 -11.817 7.789 -30.751 56 HE2 LYS 8 HE2 LYS 8 -10.160 7.087 -28.311 57 HE3 LYS 8 HE3 LYS 8 -10.165 8.639 -29.148 58 HZ1 LYS 8 HZ1 LYS 8 -12.309 7.396 -27.547 59 HZ2 LYS 8 HZ2 LYS 8 -12.671 8.585 -28.706 60 HZ3 LYS 8 HZ3 LYS 8 -11.638 8.948 -27.406 61 HN1 NH2 9 HN1 NH2 9 -13.317 2.854 -27.525 62 HN2 NH2 9 HN2 NH2 9 -13.138 4.534 -27.364 63 H1 A2G 10 H1 A2G 10 -18.385 -1.754 -35.035 64 H2 A2G 10 H2 A2G 10 -18.210 -1.424 -37.465 65 HN2 A2G 10 HN2 A2G 10 -20.782 -0.462 -36.356 66 H3 A2G 10 H3 A2G 10 -20.933 -2.750 -37.590 67 HO3 A2G 10 HO3 A2G 10 -19.145 -1.806 -39.579 68 H4 A2G 10 H4 A2G 10 -19.805 -4.597 -38.695 69 HO4 A2G 10 HO4 A2G 10 -18.031 -4.048 -39.657 70 H5 A2G 10 H5 A2G 10 -19.907 -4.709 -36.245 71 H6 A2G 10 H6 A2G 10 -18.336 -6.416 -35.983 72 H8 A2G 10 H8 A2G 10 -21.075 1.711 -36.225 73 H8A A2G 10 H8A A2G 10 -20.810 2.238 -37.886 74 H8B A2G 10 H8B A2G 10 -19.726 2.782 -36.606 75 H14 A2G 10 H14 A2G 10 -18.439 -6.316 -37.741 76 H15 A2G 10 H15 A2G 10 -16.627 -4.655 -36.425 77 H1 A2G 11 H1 A2G 11 -17.132 0.870 -29.896 78 H2 A2G 11 H2 A2G 11 -15.104 -0.503 -29.696 79 HN2 A2G 11 HN2 A2G 11 -16.989 -1.514 -31.742 80 H3 A2G 11 H3 A2G 11 -17.011 -2.850 -29.501 81 HO3 A2G 11 HO3 A2G 11 -14.547 -3.408 -28.776 82 H4 A2G 11 H4 A2G 11 -16.261 -3.062 -27.199 83 HO4 A2G 11 HO4 A2G 11 -14.692 -1.839 -26.392 84 H5 A2G 11 H5 A2G 11 -18.184 -1.582 -27.573 85 H6 A2G 11 H6 A2G 11 -16.649 -1.658 -25.315 86 H8 A2G 11 H8 A2G 11 -15.966 -1.954 -33.824 87 H8A A2G 11 H8A A2G 11 -14.460 -1.112 -34.188 88 H8B A2G 11 H8B A2G 11 -15.965 -0.203 -34.043 89 H14 A2G 11 H14 A2G 11 -16.657 0.074 -25.649 90 H15 A2G 11 H15 A2G 11 -18.903 -1.634 -25.377 Start of MODEL 13 1 H1 ACE 1 H1 ACE 1 -29.674 -5.528 -36.913 2 H2 ACE 1 H2 ACE 1 -29.908 -6.053 -35.246 3 H3 ACE 1 H3 ACE 1 -29.362 -7.205 -36.464 4 HA PRO 2 HA PRO 2 -25.074 -6.600 -35.836 5 HB2 PRO 2 HB2 PRO 2 -24.445 -5.193 -38.268 6 HB3 PRO 2 HB3 PRO 2 -24.173 -6.900 -37.891 7 HG2 PRO 2 HG2 PRO 2 -26.293 -5.659 -39.468 8 HG3 PRO 2 HG3 PRO 2 -25.746 -7.341 -39.434 9 HD2 PRO 2 HD2 PRO 2 -28.148 -6.525 -38.397 10 HD3 PRO 2 HD3 PRO 2 -27.255 -7.937 -37.788 11 H THR 3 H THR 3 -24.559 -5.153 -34.292 12 HA THR 3 HA THR 3 -24.228 -2.350 -35.042 13 HB THR 3 HB THR 3 -25.780 -3.039 -32.549 14 HG1 THR 3 HG1 THR 3 -27.555 -2.188 -33.920 15 HG21 THR 3 HG21 THR 3 -26.087 -0.461 -33.956 16 HG22 THR 3 HG22 THR 3 -24.482 -0.753 -33.288 17 HG23 THR 3 HG23 THR 3 -25.896 -0.790 -32.234 18 H THR 4 H THR 4 -22.493 -1.437 -34.072 19 HA THR 4 HA THR 4 -21.375 -2.724 -31.676 20 HB THR 4 HB THR 4 -19.071 -2.215 -32.936 21 HG21 THR 4 HG21 THR 4 -19.068 -4.600 -33.599 22 HG22 THR 4 HG22 THR 4 -20.818 -4.653 -33.402 23 HG23 THR 4 HG23 THR 4 -19.781 -4.386 -32.001 24 H THR 5 H THR 5 -19.336 -1.331 -31.023 25 HA THR 5 HA THR 5 -20.321 1.419 -30.790 26 HB THR 5 HB THR 5 -18.232 1.397 -29.115 27 HG21 THR 5 HG21 THR 5 -20.561 1.867 -28.501 28 HG22 THR 5 HG22 THR 5 -19.868 0.719 -27.357 29 HG23 THR 5 HG23 THR 5 -20.955 0.152 -28.622 30 HA PRO 6 HA PRO 6 -17.519 3.417 -33.473 31 HB2 PRO 6 HB2 PRO 6 -16.291 5.106 -31.492 32 HB3 PRO 6 HB3 PRO 6 -17.532 5.533 -32.680 33 HG2 PRO 6 HG2 PRO 6 -17.807 4.946 -29.841 34 HG3 PRO 6 HG3 PRO 6 -18.934 5.749 -30.942 35 HD2 PRO 6 HD2 PRO 6 -19.340 3.232 -29.911 36 HD3 PRO 6 HD3 PRO 6 -20.038 3.791 -31.446 37 H LEU 7 H LEU 7 -15.658 2.618 -34.258 38 HA LEU 7 HA LEU 7 -13.891 1.035 -32.684 39 HB2 LEU 7 HB2 LEU 7 -12.511 0.944 -34.724 40 HB3 LEU 7 HB3 LEU 7 -14.210 0.635 -35.085 41 HG LEU 7 HG LEU 7 -13.003 3.398 -35.291 42 HD11 LEU 7 HD11 LEU 7 -13.351 2.498 -37.877 43 HD12 LEU 7 HD12 LEU 7 -12.696 1.076 -37.065 44 HD13 LEU 7 HD13 LEU 7 -11.803 2.596 -37.040 45 HD21 LEU 7 HD21 LEU 7 -15.261 3.755 -35.431 46 HD22 LEU 7 HD22 LEU 7 -15.599 2.085 -35.887 47 HD23 LEU 7 HD23 LEU 7 -15.025 3.231 -37.099 48 H LYS 8 H LYS 8 -14.140 3.586 -31.507 49 HA LYS 8 HA LYS 8 -11.347 4.286 -31.274 50 HB2 LYS 8 HB2 LYS 8 -11.786 6.725 -31.773 51 HB3 LYS 8 HB3 LYS 8 -11.807 5.663 -33.181 52 HG2 LYS 8 HG2 LYS 8 -14.216 5.621 -33.209 53 HG3 LYS 8 HG3 LYS 8 -14.302 6.452 -31.655 54 HD2 LYS 8 HD2 LYS 8 -12.786 7.813 -33.828 55 HD3 LYS 8 HD3 LYS 8 -14.542 7.762 -33.988 56 HE2 LYS 8 HE2 LYS 8 -13.198 8.634 -31.426 57 HE3 LYS 8 HE3 LYS 8 -13.566 9.773 -32.722 58 HZ1 LYS 8 HZ1 LYS 8 -15.370 9.747 -31.176 59 HZ2 LYS 8 HZ2 LYS 8 -15.496 8.054 -31.263 60 HZ3 LYS 8 HZ3 LYS 8 -15.894 9.009 -32.611 61 HN1 NH2 9 HN1 NH2 9 -12.376 6.827 -29.019 62 HN2 NH2 9 HN2 NH2 9 -11.155 5.650 -28.960 63 H1 A2G 10 H1 A2G 10 -18.216 -1.792 -34.870 64 H2 A2G 10 H2 A2G 10 -18.292 -1.683 -37.317 65 HN2 A2G 10 HN2 A2G 10 -20.585 -0.300 -36.051 66 H3 A2G 10 H3 A2G 10 -21.148 -2.644 -37.013 67 HO3 A2G 10 HO3 A2G 10 -19.697 -2.445 -39.402 68 H4 A2G 10 H4 A2G 10 -20.390 -4.691 -38.085 69 HO4 A2G 10 HO4 A2G 10 -18.611 -3.395 -39.150 70 H5 A2G 10 H5 A2G 10 -20.184 -4.668 -35.647 71 H6 A2G 10 H6 A2G 10 -18.614 -6.433 -35.408 72 H8 A2G 10 H8 A2G 10 -20.249 1.981 -35.810 73 H8A A2G 10 H8A A2G 10 -20.593 2.191 -37.526 74 H8B A2G 10 H8B A2G 10 -19.073 2.779 -36.852 75 H14 A2G 10 H14 A2G 10 -19.154 -6.544 -37.082 76 H15 A2G 10 H15 A2G 10 -16.940 -4.953 -36.427 77 H1 A2G 11 H1 A2G 11 -16.766 0.157 -28.287 78 H2 A2G 11 H2 A2G 11 -15.795 -2.036 -27.721 79 HN2 A2G 11 HN2 A2G 11 -16.652 -1.817 -30.548 80 H3 A2G 11 H3 A2G 11 -18.291 -3.144 -29.029 81 HO3 A2G 11 HO3 A2G 11 -16.864 -4.882 -27.614 82 H4 A2G 11 H4 A2G 11 -18.911 -3.922 -26.816 83 HO4 A2G 11 HO4 A2G 11 -16.649 -4.130 -26.166 84 H5 A2G 11 H5 A2G 11 -19.664 -1.649 -27.309 85 H6 A2G 11 H6 A2G 11 -19.597 -2.697 -24.854 86 H8 A2G 11 H8 A2G 11 -15.084 -2.097 -32.109 87 H8A A2G 11 H8A A2G 11 -13.433 -2.491 -31.629 88 H8B A2G 11 H8B A2G 11 -13.988 -0.818 -31.588 89 H14 A2G 11 H14 A2G 11 -18.540 -1.316 -24.559 90 H15 A2G 11 H15 A2G 11 -20.877 -0.847 -25.984 Start of MODEL 14 1 H1 ACE 1 H1 ACE 1 -27.571 -6.615 -38.465 2 H2 ACE 1 H2 ACE 1 -28.832 -6.506 -37.237 3 H3 ACE 1 H3 ACE 1 -28.015 -8.042 -37.529 4 HA PRO 2 HA PRO 2 -24.857 -7.506 -34.546 5 HB2 PRO 2 HB2 PRO 2 -22.624 -7.091 -36.317 6 HB3 PRO 2 HB3 PRO 2 -23.072 -8.566 -35.448 7 HG2 PRO 2 HG2 PRO 2 -23.520 -7.843 -38.241 8 HG3 PRO 2 HG3 PRO 2 -23.552 -9.433 -37.467 9 HD2 PRO 2 HD2 PRO 2 -25.804 -8.167 -38.377 10 HD3 PRO 2 HD3 PRO 2 -25.816 -9.319 -37.021 11 H THR 3 H THR 3 -25.306 -5.545 -33.586 12 HA THR 3 HA THR 3 -24.474 -3.065 -34.891 13 HB THR 3 HB THR 3 -26.684 -3.384 -33.615 14 HG1 THR 3 HG1 THR 3 -25.170 -1.354 -34.014 15 HG21 THR 3 HG21 THR 3 -25.322 -4.448 -31.656 16 HG22 THR 3 HG22 THR 3 -26.665 -3.371 -31.273 17 HG23 THR 3 HG23 THR 3 -25.006 -2.775 -31.194 18 H THR 4 H THR 4 -22.984 -1.614 -33.993 19 HA THR 4 HA THR 4 -21.356 -2.592 -31.743 20 HB THR 4 HB THR 4 -19.380 -1.608 -33.248 21 HG21 THR 4 HG21 THR 4 -18.909 -3.925 -33.956 22 HG22 THR 4 HG22 THR 4 -20.574 -4.377 -33.584 23 HG23 THR 4 HG23 THR 4 -19.484 -3.881 -32.289 24 H THR 5 H THR 5 -19.601 -0.767 -31.304 25 HA THR 5 HA THR 5 -21.147 1.704 -30.963 26 HB THR 5 HB THR 5 -18.912 2.171 -29.549 27 HG21 THR 5 HG21 THR 5 -20.111 1.274 -27.597 28 HG22 THR 5 HG22 THR 5 -21.162 0.340 -28.662 29 HG23 THR 5 HG23 THR 5 -21.231 2.103 -28.679 30 HA PRO 6 HA PRO 6 -19.188 4.244 -33.923 31 HB2 PRO 6 HB2 PRO 6 -18.059 6.126 -32.056 32 HB3 PRO 6 HB3 PRO 6 -19.513 6.307 -33.050 33 HG2 PRO 6 HG2 PRO 6 -19.264 5.613 -30.224 34 HG3 PRO 6 HG3 PRO 6 -20.663 6.223 -31.120 35 HD2 PRO 6 HD2 PRO 6 -20.491 3.654 -30.186 36 HD3 PRO 6 HD3 PRO 6 -21.432 4.104 -31.627 37 H LEU 7 H LEU 7 -17.509 2.999 -34.719 38 HA LEU 7 HA LEU 7 -15.402 1.951 -34.707 39 HB2 LEU 7 HB2 LEU 7 -15.396 4.372 -35.738 40 HB3 LEU 7 HB3 LEU 7 -14.379 4.742 -34.344 41 HG LEU 7 HG LEU 7 -13.138 2.513 -35.098 42 HD11 LEU 7 HD11 LEU 7 -13.291 1.980 -37.365 43 HD12 LEU 7 HD12 LEU 7 -13.931 3.565 -37.798 44 HD13 LEU 7 HD13 LEU 7 -14.966 2.386 -36.991 45 HD21 LEU 7 HD21 LEU 7 -11.961 4.591 -34.961 46 HD22 LEU 7 HD22 LEU 7 -12.877 5.279 -36.301 47 HD23 LEU 7 HD23 LEU 7 -11.697 4.003 -36.602 48 H LYS 8 H LYS 8 -13.090 3.520 -33.531 49 HA LYS 8 HA LYS 8 -13.035 2.127 -30.999 50 HB2 LYS 8 HB2 LYS 8 -11.002 2.201 -32.302 51 HB3 LYS 8 HB3 LYS 8 -11.048 3.963 -32.355 52 HG2 LYS 8 HG2 LYS 8 -10.330 4.186 -30.183 53 HG3 LYS 8 HG3 LYS 8 -11.113 2.694 -29.661 54 HD2 LYS 8 HD2 LYS 8 -9.392 1.365 -30.794 55 HD3 LYS 8 HD3 LYS 8 -8.621 2.838 -31.383 56 HE2 LYS 8 HE2 LYS 8 -7.546 1.867 -29.316 57 HE3 LYS 8 HE3 LYS 8 -8.078 3.538 -29.138 58 HZ1 LYS 8 HZ1 LYS 8 -10.126 2.717 -28.117 59 HZ2 LYS 8 HZ2 LYS 8 -8.751 2.240 -27.239 60 HZ3 LYS 8 HZ3 LYS 8 -9.554 1.124 -28.238 61 HN1 NH2 9 HN1 NH2 9 -14.145 3.058 -29.274 62 HN2 NH2 9 HN2 NH2 9 -14.104 4.708 -28.880 63 H1 A2G 10 H1 A2G 10 -18.878 -0.961 -35.170 64 H2 A2G 10 H2 A2G 10 -19.195 -0.826 -37.603 65 HN2 A2G 10 HN2 A2G 10 -21.612 -0.056 -36.077 66 H3 A2G 10 H3 A2G 10 -21.710 -2.447 -37.116 67 HO3 A2G 10 HO3 A2G 10 -21.034 -0.775 -39.007 68 H4 A2G 10 H4 A2G 10 -20.584 -4.249 -38.295 69 HO4 A2G 10 HO4 A2G 10 -18.531 -4.003 -39.063 70 H5 A2G 10 H5 A2G 10 -20.220 -4.158 -35.868 71 H6 A2G 10 H6 A2G 10 -18.207 -5.489 -35.759 72 H8 A2G 10 H8 A2G 10 -21.875 2.272 -35.898 73 H8A A2G 10 H8A A2G 10 -22.477 2.227 -37.555 74 H8B A2G 10 H8B A2G 10 -21.128 3.285 -37.135 75 H14 A2G 10 H14 A2G 10 -18.990 -5.851 -37.297 76 H15 A2G 10 H15 A2G 10 -17.529 -3.887 -37.918 77 H1 A2G 11 H1 A2G 11 -17.132 1.294 -28.908 78 H2 A2G 11 H2 A2G 11 -15.717 -0.617 -28.288 79 HN2 A2G 11 HN2 A2G 11 -16.832 -0.841 -31.022 80 H3 A2G 11 H3 A2G 11 -18.033 -2.323 -29.242 81 HO3 A2G 11 HO3 A2G 11 -15.778 -3.037 -29.485 82 H4 A2G 11 H4 A2G 11 -18.311 -2.962 -26.913 83 HO4 A2G 11 HO4 A2G 11 -16.001 -1.395 -26.634 84 H5 A2G 11 H5 A2G 11 -19.539 -0.963 -27.635 85 H6 A2G 11 H6 A2G 11 -20.106 -1.242 -25.420 86 H8 A2G 11 H8 A2G 11 -15.393 -0.168 -32.652 87 H8A A2G 11 H8A A2G 11 -14.405 -1.624 -32.522 88 H8B A2G 11 H8B A2G 11 -13.672 -0.037 -32.288 89 H14 A2G 11 H14 A2G 11 -18.428 -1.185 -24.878 90 H15 A2G 11 H15 A2G 11 -18.442 1.033 -25.153 Start of MODEL 15 1 H1 ACE 1 H1 ACE 1 -22.374 -8.325 -38.894 2 H2 ACE 1 H2 ACE 1 -23.800 -7.963 -39.867 3 H3 ACE 1 H3 ACE 1 -23.808 -9.345 -38.771 4 HA PRO 2 HA PRO 2 -25.461 -7.226 -35.316 5 HB2 PRO 2 HB2 PRO 2 -23.111 -7.179 -33.651 6 HB3 PRO 2 HB3 PRO 2 -24.507 -8.261 -33.543 7 HG2 PRO 2 HG2 PRO 2 -21.870 -8.737 -34.700 8 HG3 PRO 2 HG3 PRO 2 -23.104 -9.895 -34.187 9 HD2 PRO 2 HD2 PRO 2 -22.483 -9.438 -36.815 10 HD3 PRO 2 HD3 PRO 2 -24.091 -9.971 -36.275 11 H THR 3 H THR 3 -25.203 -5.249 -33.922 12 HA THR 3 HA THR 3 -23.927 -3.131 -35.483 13 HB THR 3 HB THR 3 -25.196 -1.618 -33.974 14 HG1 THR 3 HG1 THR 3 -25.919 -2.412 -32.192 15 HG21 THR 3 HG21 THR 3 -26.234 -3.494 -35.883 16 HG22 THR 3 HG22 THR 3 -26.780 -1.851 -35.548 17 HG23 THR 3 HG23 THR 3 -27.452 -3.206 -34.640 18 H THR 4 H THR 4 -22.779 -1.385 -34.300 19 HA THR 4 HA THR 4 -21.390 -2.311 -31.875 20 HB THR 4 HB THR 4 -19.222 -1.578 -32.829 21 HG21 THR 4 HG21 THR 4 -20.319 -3.965 -33.104 22 HG22 THR 4 HG22 THR 4 -18.826 -3.573 -33.958 23 HG23 THR 4 HG23 THR 4 -20.370 -3.515 -34.809 24 H THR 5 H THR 5 -19.981 -0.461 -30.997 25 HA THR 5 HA THR 5 -21.646 1.954 -30.984 26 HB THR 5 HB THR 5 -19.803 2.431 -29.077 27 HG21 THR 5 HG21 THR 5 -21.444 1.708 -27.499 28 HG22 THR 5 HG22 THR 5 -22.079 0.497 -28.612 29 HG23 THR 5 HG23 THR 5 -22.346 2.210 -28.929 30 HA PRO 6 HA PRO 6 -19.143 4.616 -33.367 31 HB2 PRO 6 HB2 PRO 6 -18.595 6.513 -31.270 32 HB3 PRO 6 HB3 PRO 6 -19.767 6.648 -32.589 33 HG2 PRO 6 HG2 PRO 6 -20.187 5.917 -29.793 34 HG3 PRO 6 HG3 PRO 6 -21.350 6.480 -31.001 35 HD2 PRO 6 HD2 PRO 6 -21.291 3.906 -30.068 36 HD3 PRO 6 HD3 PRO 6 -21.872 4.338 -31.692 37 H LEU 7 H LEU 7 -17.461 2.880 -33.288 38 HA LEU 7 HA LEU 7 -14.936 3.948 -32.535 39 HB2 LEU 7 HB2 LEU 7 -16.118 2.908 -30.362 40 HB3 LEU 7 HB3 LEU 7 -15.413 1.433 -31.024 41 HG LEU 7 HG LEU 7 -13.274 2.981 -31.298 42 HD11 LEU 7 HD11 LEU 7 -13.093 4.628 -29.511 43 HD12 LEU 7 HD12 LEU 7 -14.706 4.219 -28.928 44 HD13 LEU 7 HD13 LEU 7 -14.508 5.004 -30.494 45 HD21 LEU 7 HD21 LEU 7 -12.542 2.212 -29.044 46 HD22 LEU 7 HD22 LEU 7 -13.362 0.937 -29.946 47 HD23 LEU 7 HD23 LEU 7 -14.215 1.800 -28.665 48 H LYS 8 H LYS 8 -13.542 1.497 -32.254 49 HA LYS 8 HA LYS 8 -14.267 -0.259 -34.429 50 HB2 LYS 8 HB2 LYS 8 -13.101 1.911 -35.375 51 HB3 LYS 8 HB3 LYS 8 -11.634 1.109 -34.813 52 HG2 LYS 8 HG2 LYS 8 -12.709 -0.981 -36.050 53 HG3 LYS 8 HG3 LYS 8 -13.546 0.277 -36.961 54 HD2 LYS 8 HD2 LYS 8 -11.263 1.358 -37.319 55 HD3 LYS 8 HD3 LYS 8 -10.562 -0.134 -36.690 56 HE2 LYS 8 HE2 LYS 8 -11.760 -1.419 -38.442 57 HE3 LYS 8 HE3 LYS 8 -12.405 0.089 -39.089 58 HZ1 LYS 8 HZ1 LYS 8 -10.427 0.665 -39.969 59 HZ2 LYS 8 HZ2 LYS 8 -10.154 -1.011 -39.947 60 HZ3 LYS 8 HZ3 LYS 8 -9.523 -0.028 -38.713 61 HN1 NH2 9 HN1 NH2 9 -12.693 -2.354 -34.257 62 HN2 NH2 9 HN2 NH2 9 -11.111 -1.876 -33.870 63 H1 A2G 10 H1 A2G 10 -18.850 0.343 -33.791 64 H2 A2G 10 H2 A2G 10 -18.336 1.451 -35.923 65 HN2 A2G 10 HN2 A2G 10 -21.244 1.034 -35.546 66 H3 A2G 10 H3 A2G 10 -20.133 -0.650 -37.164 67 HO3 A2G 10 HO3 A2G 10 -19.935 1.594 -38.019 68 H4 A2G 10 H4 A2G 10 -18.119 -1.530 -38.200 69 HO4 A2G 10 HO4 A2G 10 -16.397 -0.359 -38.287 70 H5 A2G 10 H5 A2G 10 -18.668 -2.427 -35.983 71 H6 A2G 10 H6 A2G 10 -16.311 -3.022 -35.246 72 H8 A2G 10 H8 A2G 10 -22.095 3.166 -34.339 73 H8A A2G 10 H8A A2G 10 -22.437 3.260 -36.066 74 H8B A2G 10 H8B A2G 10 -21.594 4.583 -35.260 75 H14 A2G 10 H14 A2G 10 -16.653 -3.334 -36.947 76 H15 A2G 10 H15 A2G 10 -15.691 -1.303 -37.415 77 H1 A2G 11 H1 A2G 11 -17.971 1.551 -28.545 78 H2 A2G 11 H2 A2G 11 -16.695 -0.311 -27.572 79 HN2 A2G 11 HN2 A2G 11 -17.733 -0.909 -30.280 80 H3 A2G 11 H3 A2G 11 -19.079 -2.018 -28.338 81 HO3 A2G 11 HO3 A2G 11 -17.880 -3.643 -27.462 82 H4 A2G 11 H4 A2G 11 -19.470 -2.259 -25.952 83 HO4 A2G 11 HO4 A2G 11 -18.141 -1.384 -24.479 84 H5 A2G 11 H5 A2G 11 -20.551 -0.337 -27.033 85 H6 A2G 11 H6 A2G 11 -20.955 -0.522 -24.655 86 H8 A2G 11 H8 A2G 11 -16.259 -0.948 -31.932 87 H8A A2G 11 H8A A2G 11 -15.179 -2.218 -31.355 88 H8B A2G 11 H8B A2G 11 -14.567 -0.581 -31.596 89 H14 A2G 11 H14 A2G 11 -19.399 0.220 -24.282 90 H15 A2G 11 H15 A2G 11 -20.231 2.082 -25.489 Start of MODEL 16 1 H1 ACE 1 H1 ACE 1 -25.770 -6.455 -30.706 2 H2 ACE 1 H2 ACE 1 -26.772 -7.624 -31.567 3 H3 ACE 1 H3 ACE 1 -27.174 -5.908 -31.623 4 HA PRO 2 HA PRO 2 -24.494 -7.577 -35.304 5 HB2 PRO 2 HB2 PRO 2 -26.390 -6.194 -36.974 6 HB3 PRO 2 HB3 PRO 2 -26.061 -7.931 -36.898 7 HG2 PRO 2 HG2 PRO 2 -28.236 -6.396 -35.700 8 HG3 PRO 2 HG3 PRO 2 -28.118 -8.134 -36.013 9 HD2 PRO 2 HD2 PRO 2 -28.025 -7.057 -33.496 10 HD3 PRO 2 HD3 PRO 2 -27.221 -8.583 -33.932 11 H THR 3 H THR 3 -25.751 -4.648 -34.010 12 HA THR 3 HA THR 3 -24.147 -2.940 -35.759 13 HB THR 3 HB THR 3 -26.089 -1.791 -35.345 14 HG1 THR 3 HG1 THR 3 -24.579 -0.423 -34.520 15 HG21 THR 3 HG21 THR 3 -26.093 -3.141 -32.635 16 HG22 THR 3 HG22 THR 3 -27.172 -3.463 -33.992 17 HG23 THR 3 HG23 THR 3 -27.282 -1.933 -33.121 18 H THR 4 H THR 4 -22.285 -1.941 -35.172 19 HA THR 4 HA THR 4 -21.121 -2.738 -32.588 20 HB THR 4 HB THR 4 -19.054 -1.609 -33.907 21 HG21 THR 4 HG21 THR 4 -19.133 -3.899 -32.996 22 HG22 THR 4 HG22 THR 4 -18.465 -3.897 -34.628 23 HG23 THR 4 HG23 THR 4 -20.131 -4.409 -34.358 24 H THR 5 H THR 5 -19.395 -0.965 -31.885 25 HA THR 5 HA THR 5 -20.958 1.483 -31.464 26 HB THR 5 HB THR 5 -18.819 1.823 -29.871 27 HG21 THR 5 HG21 THR 5 -20.159 0.814 -28.077 28 HG22 THR 5 HG22 THR 5 -21.135 -0.040 -29.272 29 HG23 THR 5 HG23 THR 5 -21.198 1.721 -29.177 30 HA PRO 6 HA PRO 6 -18.801 4.219 -34.093 31 HB2 PRO 6 HB2 PRO 6 -17.827 5.968 -32.022 32 HB3 PRO 6 HB3 PRO 6 -19.204 6.216 -33.107 33 HG2 PRO 6 HG2 PRO 6 -19.162 5.328 -30.325 34 HG3 PRO 6 HG3 PRO 6 -20.494 5.998 -31.279 35 HD2 PRO 6 HD2 PRO 6 -20.373 3.369 -30.514 36 HD3 PRO 6 HD3 PRO 6 -21.209 3.916 -31.985 37 H LEU 7 H LEU 7 -17.086 2.917 -34.786 38 HA LEU 7 HA LEU 7 -14.980 1.876 -34.646 39 HB2 LEU 7 HB2 LEU 7 -14.906 4.257 -35.715 40 HB3 LEU 7 HB3 LEU 7 -14.042 4.699 -34.242 41 HG LEU 7 HG LEU 7 -12.697 2.454 -34.838 42 HD11 LEU 7 HD11 LEU 7 -12.433 2.161 -37.211 43 HD12 LEU 7 HD12 LEU 7 -13.408 3.591 -37.555 44 HD13 LEU 7 HD13 LEU 7 -14.166 2.146 -36.886 45 HD21 LEU 7 HD21 LEU 7 -11.692 4.666 -34.507 46 HD22 LEU 7 HD22 LEU 7 -12.256 5.181 -36.097 47 HD23 LEU 7 HD23 LEU 7 -11.027 3.923 -35.962 48 H LYS 8 H LYS 8 -12.754 3.473 -33.336 49 HA LYS 8 HA LYS 8 -11.507 3.125 -31.421 50 HB2 LYS 8 HB2 LYS 8 -12.682 5.083 -30.713 51 HB3 LYS 8 HB3 LYS 8 -14.143 4.158 -30.367 52 HG2 LYS 8 HG2 LYS 8 -13.325 3.344 -28.382 53 HG3 LYS 8 HG3 LYS 8 -11.660 3.305 -28.964 54 HD2 LYS 8 HD2 LYS 8 -11.510 5.745 -28.775 55 HD3 LYS 8 HD3 LYS 8 -13.193 5.822 -28.251 56 HE2 LYS 8 HE2 LYS 8 -12.603 4.374 -26.299 57 HE3 LYS 8 HE3 LYS 8 -10.912 4.455 -26.794 58 HZ1 LYS 8 HZ1 LYS 8 -11.043 6.175 -25.308 59 HZ2 LYS 8 HZ2 LYS 8 -12.641 6.577 -25.724 60 HZ3 LYS 8 HZ3 LYS 8 -11.359 6.996 -26.758 61 HN1 NH2 9 HN1 NH2 9 -11.776 0.501 -31.828 62 HN2 NH2 9 HN2 NH2 9 -11.800 0.026 -30.199 63 H1 A2G 10 H1 A2G 10 -18.442 -0.927 -35.783 64 H2 A2G 10 H2 A2G 10 -18.616 -0.747 -38.229 65 HN2 A2G 10 HN2 A2G 10 -21.153 -0.061 -36.864 66 H3 A2G 10 H3 A2G 10 -21.129 -2.414 -37.928 67 HO3 A2G 10 HO3 A2G 10 -19.741 -1.586 -40.249 68 H4 A2G 10 H4 A2G 10 -19.911 -4.186 -39.054 69 HO4 A2G 10 HO4 A2G 10 -18.567 -2.881 -40.317 70 H5 A2G 10 H5 A2G 10 -19.661 -4.141 -36.616 71 H6 A2G 10 H6 A2G 10 -17.792 -5.557 -36.473 72 H8 A2G 10 H8 A2G 10 -21.499 2.168 -36.582 73 H8A A2G 10 H8A A2G 10 -21.798 2.450 -38.297 74 H8B A2G 10 H8B A2G 10 -20.506 3.321 -37.472 75 H14 A2G 10 H14 A2G 10 -18.214 -5.661 -38.183 76 H15 A2G 10 H15 A2G 10 -16.675 -3.600 -38.034 77 H1 A2G 11 H1 A2G 11 -17.086 0.879 -29.198 78 H2 A2G 11 H2 A2G 11 -15.731 -1.090 -28.625 79 HN2 A2G 11 HN2 A2G 11 -16.680 -1.114 -31.429 80 H3 A2G 11 H3 A2G 11 -17.995 -2.700 -29.838 81 HO3 A2G 11 HO3 A2G 11 -15.396 -3.188 -29.064 82 H4 A2G 11 H4 A2G 11 -18.449 -3.482 -27.586 83 HO4 A2G 11 HO4 A2G 11 -16.852 -3.396 -26.253 84 H5 A2G 11 H5 A2G 11 -19.598 -1.411 -28.219 85 H6 A2G 11 H6 A2G 11 -19.490 -2.347 -25.746 86 H8 A2G 11 H8 A2G 11 -15.156 -1.255 -33.014 87 H8A A2G 11 H8A A2G 11 -13.473 -1.536 -32.571 88 H8B A2G 11 H8B A2G 11 -14.106 0.108 -32.627 89 H14 A2G 11 H14 A2G 11 -18.619 -0.844 -25.439 90 H15 A2G 11 H15 A2G 11 -20.382 0.282 -26.326 Start of MODEL 17 1 H1 ACE 1 H1 ACE 1 -29.655 -7.699 -34.345 2 H2 ACE 1 H2 ACE 1 -29.081 -8.901 -35.501 3 H3 ACE 1 H3 ACE 1 -29.556 -7.296 -36.058 4 HA PRO 2 HA PRO 2 -24.974 -7.270 -35.339 5 HB2 PRO 2 HB2 PRO 2 -24.650 -6.173 -37.985 6 HB3 PRO 2 HB3 PRO 2 -24.136 -7.757 -37.385 7 HG2 PRO 2 HG2 PRO 2 -26.131 -7.315 -39.244 8 HG3 PRO 2 HG3 PRO 2 -25.906 -8.796 -38.303 9 HD2 PRO 2 HD2 PRO 2 -27.880 -6.597 -37.909 10 HD3 PRO 2 HD3 PRO 2 -28.022 -8.327 -37.525 11 H THR 3 H THR 3 -24.858 -5.560 -33.940 12 HA THR 3 HA THR 3 -24.680 -2.891 -35.120 13 HB THR 3 HB THR 3 -26.777 -2.382 -34.441 14 HG1 THR 3 HG1 THR 3 -26.622 -1.378 -32.593 15 HG21 THR 3 HG21 THR 3 -27.963 -3.778 -32.668 16 HG22 THR 3 HG22 THR 3 -26.543 -4.824 -32.677 17 HG23 THR 3 HG23 THR 3 -27.508 -4.635 -34.141 18 H THR 4 H THR 4 -22.610 -2.499 -34.576 19 HA THR 4 HA THR 4 -21.719 -3.113 -31.836 20 HB THR 4 HB THR 4 -19.430 -2.540 -32.848 21 HG21 THR 4 HG21 THR 4 -19.154 -4.757 -33.646 22 HG22 THR 4 HG22 THR 4 -20.825 -4.848 -34.204 23 HG23 THR 4 HG23 THR 4 -20.469 -4.868 -32.477 24 H THR 5 H THR 5 -19.734 -1.351 -31.429 25 HA THR 5 HA THR 5 -21.196 1.175 -31.135 26 HB THR 5 HB THR 5 -18.750 1.442 -29.840 27 HG21 THR 5 HG21 THR 5 -21.506 0.592 -28.945 28 HG22 THR 5 HG22 THR 5 -20.755 2.183 -28.809 29 HG23 THR 5 HG23 THR 5 -20.197 0.854 -27.792 30 HA PRO 6 HA PRO 6 -18.715 3.374 -34.014 31 HB2 PRO 6 HB2 PRO 6 -18.293 5.692 -32.354 32 HB3 PRO 6 HB3 PRO 6 -19.494 5.465 -33.634 33 HG2 PRO 6 HG2 PRO 6 -20.044 5.685 -30.937 34 HG3 PRO 6 HG3 PRO 6 -21.133 5.017 -32.160 35 HD2 PRO 6 HD2 PRO 6 -19.452 3.588 -30.153 36 HD3 PRO 6 HD3 PRO 6 -21.006 3.111 -30.874 37 H LEU 7 H LEU 7 -16.613 3.442 -34.628 38 HA LEU 7 HA LEU 7 -14.555 2.630 -32.834 39 HB2 LEU 7 HB2 LEU 7 -14.595 2.163 -35.302 40 HB3 LEU 7 HB3 LEU 7 -14.224 3.865 -35.575 41 HG LEU 7 HG LEU 7 -12.191 3.582 -34.118 42 HD11 LEU 7 HD11 LEU 7 -12.416 1.722 -32.789 43 HD12 LEU 7 HD12 LEU 7 -11.584 0.957 -34.144 44 HD13 LEU 7 HD13 LEU 7 -13.337 0.836 -34.004 45 HD21 LEU 7 HD21 LEU 7 -10.885 2.390 -35.843 46 HD22 LEU 7 HD22 LEU 7 -12.046 3.491 -36.585 47 HD23 LEU 7 HD23 LEU 7 -12.378 1.759 -36.540 48 H LYS 8 H LYS 8 -12.853 3.788 -31.960 49 HA LYS 8 HA LYS 8 -13.383 6.579 -31.430 50 HB2 LYS 8 HB2 LYS 8 -11.695 6.436 -29.808 51 HB3 LYS 8 HB3 LYS 8 -12.388 4.814 -29.814 52 HG2 LYS 8 HG2 LYS 8 -10.573 4.296 -31.608 53 HG3 LYS 8 HG3 LYS 8 -9.785 5.752 -31.001 54 HD2 LYS 8 HD2 LYS 8 -9.955 4.773 -28.680 55 HD3 LYS 8 HD3 LYS 8 -10.507 3.271 -29.422 56 HE2 LYS 8 HE2 LYS 8 -8.264 2.798 -29.410 57 HE3 LYS 8 HE3 LYS 8 -8.305 3.713 -30.916 58 HZ1 LYS 8 HZ1 LYS 8 -8.003 5.713 -29.279 59 HZ2 LYS 8 HZ2 LYS 8 -6.663 4.810 -29.807 60 HZ3 LYS 8 HZ3 LYS 8 -7.335 4.522 -28.273 61 HN1 NH2 9 HN1 NH2 9 -10.494 5.894 -34.176 62 HN2 NH2 9 HN2 NH2 9 -12.113 5.388 -34.265 63 H1 A2G 10 H1 A2G 10 -18.752 -1.147 -34.275 64 H2 A2G 10 H2 A2G 10 -18.339 -0.537 -36.620 65 HN2 A2G 10 HN2 A2G 10 -21.189 -0.320 -35.849 66 H3 A2G 10 H3 A2G 10 -20.615 -2.432 -37.260 67 HO3 A2G 10 HO3 A2G 10 -19.853 -0.366 -38.507 68 H4 A2G 10 H4 A2G 10 -18.943 -3.861 -38.283 69 HO4 A2G 10 HO4 A2G 10 -17.413 -2.498 -38.989 70 H5 A2G 10 H5 A2G 10 -19.310 -4.243 -35.890 71 H6 A2G 10 H6 A2G 10 -17.254 -5.384 -35.386 72 H8 A2G 10 H8 A2G 10 -21.790 1.861 -35.275 73 H8A A2G 10 H8A A2G 10 -21.900 2.218 -36.999 74 H8B A2G 10 H8B A2G 10 -20.859 3.193 -35.961 75 H14 A2G 10 H14 A2G 10 -17.447 -5.450 -37.137 76 H15 A2G 10 H15 A2G 10 -15.345 -4.686 -36.065 77 H1 A2G 11 H1 A2G 11 -17.555 0.429 -28.594 78 H2 A2G 11 H2 A2G 11 -16.169 -1.581 -28.309 79 HN2 A2G 11 HN2 A2G 11 -17.100 -1.199 -31.093 80 H3 A2G 11 H3 A2G 11 -18.395 -3.029 -29.767 81 HO3 A2G 11 HO3 A2G 11 -16.991 -4.811 -28.930 82 H4 A2G 11 H4 A2G 11 -18.847 -4.146 -27.660 83 HO4 A2G 11 HO4 A2G 11 -16.647 -2.608 -26.776 84 H5 A2G 11 H5 A2G 11 -20.030 -2.024 -27.986 85 H6 A2G 11 H6 A2G 11 -20.076 -3.292 -25.739 86 H8 A2G 11 H8 A2G 11 -15.616 -0.901 -32.645 87 H8A A2G 11 H8A A2G 11 -13.983 -1.484 -32.320 88 H8B A2G 11 H8B A2G 11 -14.393 0.205 -32.023 89 H14 A2G 11 H14 A2G 11 -19.009 -2.021 -25.142 90 H15 A2G 11 H15 A2G 11 -20.577 -0.504 -25.665 Start of MODEL 18 1 H1 ACE 1 H1 ACE 1 -27.998 -5.589 -39.265 2 H2 ACE 1 H2 ACE 1 -27.662 -7.257 -38.804 3 H3 ACE 1 H3 ACE 1 -26.381 -6.258 -39.489 4 HA PRO 2 HA PRO 2 -26.592 -6.418 -34.645 5 HB2 PRO 2 HB2 PRO 2 -23.762 -6.937 -34.795 6 HB3 PRO 2 HB3 PRO 2 -25.035 -7.990 -34.161 7 HG2 PRO 2 HG2 PRO 2 -23.683 -8.055 -36.748 8 HG3 PRO 2 HG3 PRO 2 -24.613 -9.316 -35.927 9 HD2 PRO 2 HD2 PRO 2 -25.515 -8.004 -38.156 10 HD3 PRO 2 HD3 PRO 2 -26.601 -8.686 -36.923 11 H THR 3 H THR 3 -26.359 -4.482 -33.688 12 HA THR 3 HA THR 3 -24.781 -2.410 -35.018 13 HB THR 3 HB THR 3 -25.889 -0.882 -33.428 14 HG1 THR 3 HG1 THR 3 -26.322 -1.935 -31.635 15 HG21 THR 3 HG21 THR 3 -28.331 -2.079 -34.142 16 HG22 THR 3 HG22 THR 3 -27.188 -2.561 -35.395 17 HG23 THR 3 HG23 THR 3 -27.447 -0.851 -35.048 18 H THR 4 H THR 4 -22.722 -2.145 -34.468 19 HA THR 4 HA THR 4 -21.840 -2.950 -31.776 20 HB THR 4 HB THR 4 -19.538 -2.756 -32.796 21 HG21 THR 4 HG21 THR 4 -21.109 -4.859 -32.737 22 HG22 THR 4 HG22 THR 4 -19.648 -4.899 -33.724 23 HG23 THR 4 HG23 THR 4 -21.214 -4.598 -34.478 24 H THR 5 H THR 5 -19.789 -1.528 -31.135 25 HA THR 5 HA THR 5 -20.806 1.220 -30.975 26 HB THR 5 HB THR 5 -18.653 1.196 -29.329 27 HG21 THR 5 HG21 THR 5 -21.533 0.449 -28.958 28 HG22 THR 5 HG22 THR 5 -20.667 1.873 -28.383 29 HG23 THR 5 HG23 THR 5 -20.432 0.317 -27.586 30 HA PRO 6 HA PRO 6 -18.048 3.223 -33.690 31 HB2 PRO 6 HB2 PRO 6 -16.744 4.865 -31.714 32 HB3 PRO 6 HB3 PRO 6 -18.016 5.327 -32.855 33 HG2 PRO 6 HG2 PRO 6 -18.214 4.660 -30.019 34 HG3 PRO 6 HG3 PRO 6 -19.351 5.532 -31.057 35 HD2 PRO 6 HD2 PRO 6 -19.823 3.005 -30.110 36 HD3 PRO 6 HD3 PRO 6 -20.496 3.612 -31.642 37 H LEU 7 H LEU 7 -16.100 2.682 -34.530 38 HA LEU 7 HA LEU 7 -14.373 0.883 -33.153 39 HB2 LEU 7 HB2 LEU 7 -12.920 1.141 -35.157 40 HB3 LEU 7 HB3 LEU 7 -14.596 0.772 -35.571 41 HG LEU 7 HG LEU 7 -14.537 3.557 -35.413 42 HD11 LEU 7 HD11 LEU 7 -12.659 4.173 -36.912 43 HD12 LEU 7 HD12 LEU 7 -12.066 2.514 -36.832 44 HD13 LEU 7 HD13 LEU 7 -12.081 3.516 -35.381 45 HD21 LEU 7 HD21 LEU 7 -14.721 3.386 -37.916 46 HD22 LEU 7 HD22 LEU 7 -15.797 2.284 -37.057 47 HD23 LEU 7 HD23 LEU 7 -14.309 1.676 -37.784 48 H LYS 8 H LYS 8 -14.814 3.798 -32.201 49 HA LYS 8 HA LYS 8 -12.112 4.165 -31.248 50 HB2 LYS 8 HB2 LYS 8 -11.938 5.260 -33.434 51 HB3 LYS 8 HB3 LYS 8 -13.348 6.251 -33.063 52 HG2 LYS 8 HG2 LYS 8 -12.205 7.563 -31.547 53 HG3 LYS 8 HG3 LYS 8 -11.087 6.269 -31.111 54 HD2 LYS 8 HD2 LYS 8 -11.018 7.394 -33.894 55 HD3 LYS 8 HD3 LYS 8 -10.240 8.282 -32.583 56 HE2 LYS 8 HE2 LYS 8 -8.625 6.671 -32.262 57 HE3 LYS 8 HE3 LYS 8 -9.689 5.356 -32.763 58 HZ1 LYS 8 HZ1 LYS 8 -9.480 6.078 -35.043 59 HZ2 LYS 8 HZ2 LYS 8 -7.938 5.796 -34.387 60 HZ3 LYS 8 HZ3 LYS 8 -8.505 7.385 -34.580 61 HN1 NH2 9 HN1 NH2 9 -12.447 5.900 -29.054 62 HN2 NH2 9 HN2 NH2 9 -13.218 7.183 -29.855 63 H1 A2G 10 H1 A2G 10 -18.751 -1.146 -34.004 64 H2 A2G 10 H2 A2G 10 -18.131 -0.416 -36.268 65 HN2 A2G 10 HN2 A2G 10 -21.012 -0.045 -35.698 66 H3 A2G 10 H3 A2G 10 -20.473 -2.107 -37.186 67 HO3 A2G 10 HO3 A2G 10 -19.780 -1.451 -39.210 68 H4 A2G 10 H4 A2G 10 -18.816 -3.562 -38.205 69 HO4 A2G 10 HO4 A2G 10 -16.978 -2.674 -38.625 70 H5 A2G 10 H5 A2G 10 -19.411 -4.072 -35.878 71 H6 A2G 10 H6 A2G 10 -17.509 -5.422 -35.320 72 H8 A2G 10 H8 A2G 10 -21.497 2.120 -34.972 73 H8A A2G 10 H8A A2G 10 -21.450 2.627 -36.661 74 H8B A2G 10 H8B A2G 10 -20.425 3.428 -35.471 75 H14 A2G 10 H14 A2G 10 -17.540 -5.328 -37.081 76 H15 A2G 10 H15 A2G 10 -15.967 -3.761 -35.316 77 H1 A2G 11 H1 A2G 11 -17.430 0.034 -28.254 78 H2 A2G 11 H2 A2G 11 -16.323 -2.108 -27.780 79 HN2 A2G 11 HN2 A2G 11 -17.054 -1.929 -30.643 80 H3 A2G 11 H3 A2G 11 -18.646 -3.356 -29.273 81 HO3 A2G 11 HO3 A2G 11 -16.710 -4.692 -27.745 82 H4 A2G 11 H4 A2G 11 -19.314 -4.289 -27.131 83 HO4 A2G 11 HO4 A2G 11 -17.323 -2.722 -25.899 84 H5 A2G 11 H5 A2G 11 -20.215 -2.068 -27.668 85 H6 A2G 11 H6 A2G 11 -20.305 -3.223 -25.245 86 H8 A2G 11 H8 A2G 11 -15.406 -1.908 -32.103 87 H8A A2G 11 H8A A2G 11 -13.752 -2.142 -31.538 88 H8B A2G 11 H8B A2G 11 -14.455 -0.524 -31.564 89 H14 A2G 11 H14 A2G 11 -19.454 -1.744 -24.799 90 H15 A2G 11 H15 A2G 11 -22.020 -2.075 -25.882 Start of MODEL 19 1 H1 ACE 1 H1 ACE 1 -29.674 -7.616 -35.814 2 H2 ACE 1 H2 ACE 1 -28.793 -8.246 -37.207 3 H3 ACE 1 H3 ACE 1 -29.463 -6.614 -37.250 4 HA PRO 2 HA PRO 2 -24.817 -6.963 -35.906 5 HB2 PRO 2 HB2 PRO 2 -24.377 -4.845 -37.809 6 HB3 PRO 2 HB3 PRO 2 -23.737 -6.495 -37.840 7 HG2 PRO 2 HG2 PRO 2 -25.982 -5.341 -39.307 8 HG3 PRO 2 HG3 PRO 2 -25.060 -6.815 -39.630 9 HD2 PRO 2 HD2 PRO 2 -27.647 -6.836 -38.731 10 HD3 PRO 2 HD3 PRO 2 -26.487 -8.140 -38.387 11 H THR 3 H THR 3 -24.279 -5.737 -34.192 12 HA THR 3 HA THR 3 -24.999 -2.906 -34.117 13 HB THR 3 HB THR 3 -25.758 -4.715 -31.821 14 HG1 THR 3 HG1 THR 3 -27.215 -3.815 -34.059 15 HG21 THR 3 HG21 THR 3 -26.873 -2.789 -30.969 16 HG22 THR 3 HG22 THR 3 -26.711 -1.930 -32.500 17 HG23 THR 3 HG23 THR 3 -25.289 -2.222 -31.498 18 H THR 4 H THR 4 -23.021 -2.066 -33.842 19 HA THR 4 HA THR 4 -21.458 -2.970 -31.517 20 HB THR 4 HB THR 4 -19.377 -2.861 -32.830 21 HG21 THR 4 HG21 THR 4 -21.208 -4.635 -34.415 22 HG22 THR 4 HG22 THR 4 -20.977 -4.952 -32.695 23 HG23 THR 4 HG23 THR 4 -19.594 -4.973 -33.790 24 H THR 5 H THR 5 -19.640 -1.367 -31.067 25 HA THR 5 HA THR 5 -20.776 1.335 -31.249 26 HB THR 5 HB THR 5 -18.630 1.603 -29.610 27 HG21 THR 5 HG21 THR 5 -20.392 0.885 -27.774 28 HG22 THR 5 HG22 THR 5 -21.485 0.809 -29.156 29 HG23 THR 5 HG23 THR 5 -20.671 2.322 -28.758 30 HA PRO 6 HA PRO 6 -18.086 3.097 -34.189 31 HB2 PRO 6 HB2 PRO 6 -16.871 5.031 -32.434 32 HB3 PRO 6 HB3 PRO 6 -18.152 5.288 -33.628 33 HG2 PRO 6 HG2 PRO 6 -18.344 4.978 -30.732 34 HG3 PRO 6 HG3 PRO 6 -19.510 5.659 -31.875 35 HD2 PRO 6 HD2 PRO 6 -19.880 3.255 -30.616 36 HD3 PRO 6 HD3 PRO 6 -20.564 3.632 -32.213 37 H LEU 7 H LEU 7 -16.095 2.581 -34.949 38 HA LEU 7 HA LEU 7 -14.309 1.024 -33.367 39 HB2 LEU 7 HB2 LEU 7 -12.854 1.084 -35.362 40 HB3 LEU 7 HB3 LEU 7 -14.518 0.678 -35.782 41 HG LEU 7 HG LEU 7 -14.417 3.481 -35.866 42 HD11 LEU 7 HD11 LEU 7 -12.546 3.891 -37.446 43 HD12 LEU 7 HD12 LEU 7 -11.997 2.233 -37.205 44 HD13 LEU 7 HD13 LEU 7 -11.964 3.376 -35.862 45 HD21 LEU 7 HD21 LEU 7 -14.201 1.458 -38.120 46 HD22 LEU 7 HD22 LEU 7 -14.756 3.124 -38.283 47 HD23 LEU 7 HD23 LEU 7 -15.702 1.967 -37.347 48 H LYS 8 H LYS 8 -14.901 4.027 -32.789 49 HA LYS 8 HA LYS 8 -13.712 5.622 -31.607 50 HB2 LYS 8 HB2 LYS 8 -12.190 3.483 -31.152 51 HB3 LYS 8 HB3 LYS 8 -11.080 4.358 -32.206 52 HG2 LYS 8 HG2 LYS 8 -11.669 6.408 -30.682 53 HG3 LYS 8 HG3 LYS 8 -12.181 5.172 -29.531 54 HD2 LYS 8 HD2 LYS 8 -9.872 4.077 -30.029 55 HD3 LYS 8 HD3 LYS 8 -9.436 5.663 -30.667 56 HE2 LYS 8 HE2 LYS 8 -9.962 4.831 -27.864 57 HE3 LYS 8 HE3 LYS 8 -8.847 6.047 -28.487 58 HZ1 LYS 8 HZ1 LYS 8 -10.534 7.225 -27.392 59 HZ2 LYS 8 HZ2 LYS 8 -11.770 6.285 -28.082 60 HZ3 LYS 8 HZ3 LYS 8 -10.895 7.380 -29.042 61 HN1 NH2 9 HN1 NH2 9 -13.158 6.989 -35.010 62 HN2 NH2 9 HN2 NH2 9 -14.163 5.687 -34.592 63 H1 A2G 10 H1 A2G 10 -18.720 -1.189 -34.048 64 H2 A2G 10 H2 A2G 10 -18.311 -0.394 -36.338 65 HN2 A2G 10 HN2 A2G 10 -21.147 -0.059 -35.554 66 H3 A2G 10 H3 A2G 10 -20.718 -2.076 -37.086 67 HO3 A2G 10 HO3 A2G 10 -19.470 0.011 -38.205 68 H4 A2G 10 H4 A2G 10 -19.154 -3.493 -38.289 69 HO4 A2G 10 HO4 A2G 10 -17.446 -2.414 -38.888 70 H5 A2G 10 H5 A2G 10 -19.536 -4.069 -35.933 71 H6 A2G 10 H6 A2G 10 -17.665 -5.483 -35.648 72 H8 A2G 10 H8 A2G 10 -21.593 2.021 -34.651 73 H8A A2G 10 H8A A2G 10 -21.581 2.725 -36.267 74 H8B A2G 10 H8B A2G 10 -20.507 3.360 -35.022 75 H14 A2G 10 H14 A2G 10 -17.703 -5.202 -37.389 76 H15 A2G 10 H15 A2G 10 -16.090 -3.899 -35.460 77 H1 A2G 11 H1 A2G 11 -17.399 0.647 -28.371 78 H2 A2G 11 H2 A2G 11 -16.166 -1.364 -27.683 79 HN2 A2G 11 HN2 A2G 11 -16.898 -1.452 -30.550 80 H3 A2G 11 H3 A2G 11 -18.398 -2.898 -29.041 81 HO3 A2G 11 HO3 A2G 11 -16.294 -3.819 -29.115 82 H4 A2G 11 H4 A2G 11 -19.021 -3.646 -26.815 83 HO4 A2G 11 HO4 A2G 11 -17.702 -3.422 -25.212 84 H5 A2G 11 H5 A2G 11 -20.052 -1.552 -27.575 85 H6 A2G 11 H6 A2G 11 -20.088 -2.458 -25.048 86 H8 A2G 11 H8 A2G 11 -15.220 -1.654 -32.000 87 H8A A2G 11 H8A A2G 11 -13.560 -1.726 -31.410 88 H8B A2G 11 H8B A2G 11 -14.356 -0.165 -31.613 89 H14 A2G 11 H14 A2G 11 -19.330 -0.893 -24.753 90 H15 A2G 11 H15 A2G 11 -21.886 -1.505 -25.661 Start of MODEL 20 1 H1 ACE 1 H1 ACE 1 -26.115 -9.240 -38.034 2 H2 ACE 1 H2 ACE 1 -24.415 -8.771 -38.000 3 H3 ACE 1 H3 ACE 1 -25.471 -8.168 -39.278 4 HA PRO 2 HA PRO 2 -27.408 -6.091 -35.284 5 HB2 PRO 2 HB2 PRO 2 -25.444 -6.465 -33.209 6 HB3 PRO 2 HB3 PRO 2 -27.127 -7.013 -33.235 7 HG2 PRO 2 HG2 PRO 2 -24.677 -8.506 -33.776 8 HG3 PRO 2 HG3 PRO 2 -26.294 -9.096 -33.366 9 HD2 PRO 2 HD2 PRO 2 -25.188 -9.369 -35.857 10 HD3 PRO 2 HD3 PRO 2 -26.942 -9.258 -35.578 11 H THR 3 H THR 3 -26.581 -4.127 -33.992 12 HA THR 3 HA THR 3 -24.561 -2.786 -35.627 13 HB THR 3 HB THR 3 -26.640 -1.586 -35.240 14 HG1 THR 3 HG1 THR 3 -24.369 -0.627 -33.858 15 HG21 THR 3 HG21 THR 3 -25.949 -1.848 -32.301 16 HG22 THR 3 HG22 THR 3 -27.264 -2.686 -33.125 17 HG23 THR 3 HG23 THR 3 -27.304 -0.931 -32.958 18 H THR 4 H THR 4 -22.664 -1.924 -34.836 19 HA THR 4 HA THR 4 -21.795 -2.988 -32.232 20 HB THR 4 HB THR 4 -19.524 -2.022 -33.327 21 HG21 THR 4 HG21 THR 4 -19.916 -4.335 -32.564 22 HG22 THR 4 HG22 THR 4 -19.125 -4.319 -34.141 23 HG23 THR 4 HG23 THR 4 -20.851 -4.659 -34.025 24 H THR 5 H THR 5 -19.861 -1.415 -31.410 25 HA THR 5 HA THR 5 -21.226 1.120 -30.840 26 HB THR 5 HB THR 5 -19.444 1.321 -29.062 27 HG21 THR 5 HG21 THR 5 -20.922 -1.308 -28.889 28 HG22 THR 5 HG22 THR 5 -21.757 0.241 -28.775 29 HG23 THR 5 HG23 THR 5 -20.533 -0.190 -27.581 30 HA PRO 6 HA PRO 6 -18.863 3.764 -33.390 31 HB2 PRO 6 HB2 PRO 6 -17.938 5.455 -31.250 32 HB3 PRO 6 HB3 PRO 6 -19.246 5.763 -32.401 33 HG2 PRO 6 HG2 PRO 6 -19.382 4.846 -29.632 34 HG3 PRO 6 HG3 PRO 6 -20.638 5.572 -30.646 35 HD2 PRO 6 HD2 PRO 6 -20.650 2.934 -29.908 36 HD3 PRO 6 HD3 PRO 6 -21.388 3.526 -31.415 37 H LEU 7 H LEU 7 -16.764 3.949 -34.113 38 HA LEU 7 HA LEU 7 -14.794 2.231 -32.979 39 HB2 LEU 7 HB2 LEU 7 -14.981 2.781 -35.415 40 HB3 LEU 7 HB3 LEU 7 -14.393 4.403 -35.048 41 HG LEU 7 HG LEU 7 -12.349 3.381 -34.032 42 HD11 LEU 7 HD11 LEU 7 -12.138 0.881 -35.042 43 HD12 LEU 7 HD12 LEU 7 -13.873 0.926 -34.726 44 HD13 LEU 7 HD13 LEU 7 -12.730 1.208 -33.413 45 HD21 LEU 7 HD21 LEU 7 -11.694 3.962 -36.132 46 HD22 LEU 7 HD22 LEU 7 -13.135 3.266 -36.871 47 HD23 LEU 7 HD23 LEU 7 -11.767 2.232 -36.464 48 H LYS 8 H LYS 8 -13.818 2.690 -31.108 49 HA LYS 8 HA LYS 8 -12.875 3.907 -29.383 50 HB2 LYS 8 HB2 LYS 8 -11.537 5.339 -31.688 51 HB3 LYS 8 HB3 LYS 8 -10.914 5.137 -30.050 52 HG2 LYS 8 HG2 LYS 8 -11.542 2.821 -31.900 53 HG3 LYS 8 HG3 LYS 8 -9.935 3.528 -31.729 54 HD2 LYS 8 HD2 LYS 8 -9.627 2.105 -30.004 55 HD3 LYS 8 HD3 LYS 8 -10.758 3.114 -29.101 56 HE2 LYS 8 HE2 LYS 8 -12.626 1.724 -30.147 57 HE3 LYS 8 HE3 LYS 8 -11.369 0.613 -30.688 58 HZ1 LYS 8 HZ1 LYS 8 -11.028 -0.144 -28.621 59 HZ2 LYS 8 HZ2 LYS 8 -12.584 0.464 -28.312 60 HZ3 LYS 8 HZ3 LYS 8 -11.213 1.381 -27.904 61 HN1 NH2 9 HN1 NH2 9 -13.223 6.916 -28.503 62 HN2 NH2 9 HN2 NH2 9 -12.291 7.247 -29.883 63 H1 A2G 10 H1 A2G 10 -18.705 -1.307 -35.110 64 H2 A2G 10 H2 A2G 10 -18.668 -0.980 -37.545 65 HN2 A2G 10 HN2 A2G 10 -21.208 -0.104 -36.301 66 H3 A2G 10 H3 A2G 10 -21.350 -2.391 -37.533 67 HO3 A2G 10 HO3 A2G 10 -19.715 -1.629 -39.706 68 H4 A2G 10 H4 A2G 10 -20.229 -4.218 -38.670 69 HO4 A2G 10 HO4 A2G 10 -18.535 -3.631 -39.745 70 H5 A2G 10 H5 A2G 10 -20.174 -4.326 -36.221 71 H6 A2G 10 H6 A2G 10 -18.749 -6.096 -36.231 72 H8 A2G 10 H8 A2G 10 -21.257 2.193 -35.895 73 H8A A2G 10 H8A A2G 10 -21.631 2.424 -37.603 74 H8B A2G 10 H8B A2G 10 -20.241 3.240 -36.887 75 H14 A2G 10 H14 A2G 10 -18.497 -5.702 -37.932 76 H15 A2G 10 H15 A2G 10 -16.725 -5.655 -36.003 77 H1 A2G 11 H1 A2G 11 -17.351 1.078 -29.834 78 H2 A2G 11 H2 A2G 11 -15.328 -0.276 -29.498 79 HN2 A2G 11 HN2 A2G 11 -17.189 -1.449 -31.479 80 H3 A2G 11 H3 A2G 11 -17.241 -2.598 -29.137 81 HO3 A2G 11 HO3 A2G 11 -15.328 -3.243 -30.044 82 H4 A2G 11 H4 A2G 11 -16.522 -2.622 -26.816 83 HO4 A2G 11 HO4 A2G 11 -14.626 -0.952 -27.823 84 H5 A2G 11 H5 A2G 11 -18.438 -1.177 -27.335 85 H6 A2G 11 H6 A2G 11 -17.224 -1.177 -25.021 86 H8 A2G 11 H8 A2G 11 -16.415 -1.843 -33.493 87 H8A A2G 11 H8A A2G 11 -14.683 -1.694 -33.786 88 H8B A2G 11 H8B A2G 11 -15.732 -0.289 -33.973 89 H14 A2G 11 H14 A2G 11 -16.691 0.440 -25.484 90 H15 A2G 11 H15 A2G 11 -19.381 -0.192 -25.821 Start of MODEL 21 1 H1 ACE 1 H1 ACE 1 -26.713 -5.739 -40.172 2 H2 ACE 1 H2 ACE 1 -26.040 -4.111 -40.073 3 H3 ACE 1 H3 ACE 1 -27.750 -4.381 -39.733 4 HA PRO 2 HA PRO 2 -25.567 -6.841 -36.095 5 HB2 PRO 2 HB2 PRO 2 -22.821 -5.970 -36.139 6 HB3 PRO 2 HB3 PRO 2 -23.452 -7.616 -36.314 7 HG2 PRO 2 HG2 PRO 2 -22.529 -5.750 -38.361 8 HG3 PRO 2 HG3 PRO 2 -22.739 -7.505 -38.443 9 HD2 PRO 2 HD2 PRO 2 -24.375 -5.738 -39.750 10 HD3 PRO 2 HD3 PRO 2 -24.917 -7.340 -39.202 11 H THR 3 H THR 3 -25.697 -5.903 -34.100 12 HA THR 3 HA THR 3 -25.615 -2.981 -33.988 13 HB THR 3 HB THR 3 -26.754 -3.226 -31.854 14 HG1 THR 3 HG1 THR 3 -26.301 -4.954 -30.778 15 HG21 THR 3 HG21 THR 3 -27.897 -3.664 -34.184 16 HG22 THR 3 HG22 THR 3 -28.789 -3.982 -32.696 17 HG23 THR 3 HG23 THR 3 -28.043 -5.313 -33.580 18 H THR 4 H THR 4 -23.627 -2.175 -33.658 19 HA THR 4 HA THR 4 -22.137 -3.142 -31.311 20 HB THR 4 HB THR 4 -20.016 -2.989 -32.579 21 HG21 THR 4 HG21 THR 4 -21.792 -4.795 -34.186 22 HG22 THR 4 HG22 THR 4 -21.601 -5.096 -32.458 23 HG23 THR 4 HG23 THR 4 -20.192 -5.112 -33.517 24 H THR 5 H THR 5 -20.245 -1.556 -30.877 25 HA THR 5 HA THR 5 -21.395 1.142 -30.920 26 HB THR 5 HB THR 5 -19.600 1.617 -29.227 27 HG21 THR 5 HG21 THR 5 -21.144 -0.837 -28.407 28 HG22 THR 5 HG22 THR 5 -21.979 0.679 -28.750 29 HG23 THR 5 HG23 THR 5 -20.779 0.605 -27.459 30 HA PRO 6 HA PRO 6 -18.889 2.916 -34.025 31 HB2 PRO 6 HB2 PRO 6 -17.809 4.993 -32.347 32 HB3 PRO 6 HB3 PRO 6 -19.110 5.116 -33.541 33 HG2 PRO 6 HG2 PRO 6 -19.268 4.895 -30.634 34 HG3 PRO 6 HG3 PRO 6 -20.483 5.452 -31.793 35 HD2 PRO 6 HD2 PRO 6 -20.677 3.073 -30.449 36 HD3 PRO 6 HD3 PRO 6 -21.392 3.343 -32.054 37 H LEU 7 H LEU 7 -16.843 2.602 -34.779 38 HA LEU 7 HA LEU 7 -14.963 1.166 -33.190 39 HB2 LEU 7 HB2 LEU 7 -15.278 1.039 -35.723 40 HB3 LEU 7 HB3 LEU 7 -14.358 2.543 -35.805 41 HG LEU 7 HG LEU 7 -12.848 0.951 -34.098 42 HD11 LEU 7 HD11 LEU 7 -14.363 -0.949 -34.873 43 HD12 LEU 7 HD12 LEU 7 -12.635 -1.203 -35.122 44 HD13 LEU 7 HD13 LEU 7 -13.661 -0.734 -36.477 45 HD21 LEU 7 HD21 LEU 7 -11.363 0.741 -36.159 46 HD22 LEU 7 HD22 LEU 7 -11.863 2.383 -35.756 47 HD23 LEU 7 HD23 LEU 7 -12.660 1.515 -37.068 48 H LYS 8 H LYS 8 -12.898 1.803 -32.485 49 HA LYS 8 HA LYS 8 -12.045 4.555 -32.690 50 HB2 LYS 8 HB2 LYS 8 -13.842 4.287 -30.766 51 HB3 LYS 8 HB3 LYS 8 -12.462 3.647 -29.874 52 HG2 LYS 8 HG2 LYS 8 -12.571 6.337 -31.272 53 HG3 LYS 8 HG3 LYS 8 -12.658 6.076 -29.530 54 HD2 LYS 8 HD2 LYS 8 -10.401 4.830 -29.811 55 HD3 LYS 8 HD3 LYS 8 -10.316 5.638 -31.377 56 HE2 LYS 8 HE2 LYS 8 -10.116 6.786 -28.640 57 HE3 LYS 8 HE3 LYS 8 -9.297 7.270 -30.125 58 HZ1 LYS 8 HZ1 LYS 8 -10.841 8.960 -29.595 59 HZ2 LYS 8 HZ2 LYS 8 -12.096 7.845 -29.335 60 HZ3 LYS 8 HZ3 LYS 8 -11.499 8.107 -30.905 61 HN1 NH2 9 HN1 NH2 9 -9.966 3.731 -33.401 62 HN2 NH2 9 HN2 NH2 9 -8.891 3.216 -32.193 63 H1 A2G 10 H1 A2G 10 -19.378 -1.296 -33.794 64 H2 A2G 10 H2 A2G 10 -18.936 -0.523 -36.085 65 HN2 A2G 10 HN2 A2G 10 -21.791 -0.243 -35.348 66 H3 A2G 10 H3 A2G 10 -21.288 -2.269 -36.863 67 HO3 A2G 10 HO3 A2G 10 -20.042 -0.175 -37.987 68 H4 A2G 10 H4 A2G 10 -19.665 -3.666 -38.012 69 HO4 A2G 10 HO4 A2G 10 -18.067 -2.326 -38.586 70 H5 A2G 10 H5 A2G 10 -20.087 -4.218 -35.657 71 H6 A2G 10 H6 A2G 10 -18.169 -5.568 -35.293 72 H8 A2G 10 H8 A2G 10 -22.320 1.871 -34.553 73 H8A A2G 10 H8A A2G 10 -22.303 2.473 -36.211 74 H8B A2G 10 H8B A2G 10 -21.277 3.224 -34.988 75 H14 A2G 10 H14 A2G 10 -18.217 -5.352 -37.042 76 H15 A2G 10 H15 A2G 10 -16.874 -3.347 -36.353 77 H1 A2G 11 H1 A2G 11 -17.518 1.065 -29.984 78 H2 A2G 11 H2 A2G 11 -15.572 -0.258 -29.273 79 HN2 A2G 11 HN2 A2G 11 -17.468 -1.905 -30.844 80 H3 A2G 11 H3 A2G 11 -17.613 -2.288 -28.323 81 HO3 A2G 11 HO3 A2G 11 -15.069 -2.544 -27.469 82 H4 A2G 11 H4 A2G 11 -16.885 -1.726 -26.073 83 HO4 A2G 11 HO4 A2G 11 -15.333 0.347 -27.197 84 H5 A2G 11 H5 A2G 11 -18.717 -0.370 -26.982 85 H6 A2G 11 H6 A2G 11 -17.276 0.233 -24.780 86 H8 A2G 11 H8 A2G 11 -16.684 -2.796 -32.726 87 H8A A2G 11 H8A A2G 11 -15.021 -2.478 -33.217 88 H8B A2G 11 H8B A2G 11 -16.288 -1.308 -33.585 89 H14 A2G 11 H14 A2G 11 -17.037 1.725 -25.691 90 H15 A2G 11 H15 A2G 11 -19.038 2.236 -25.365 Start of MODEL 22 1 H1 ACE 1 H1 ACE 1 -28.795 -6.331 -37.511 2 H2 ACE 1 H2 ACE 1 -28.620 -7.436 -36.148 3 H3 ACE 1 H3 ACE 1 -27.743 -7.739 -37.648 4 HA PRO 2 HA PRO 2 -24.103 -5.578 -36.541 5 HB2 PRO 2 HB2 PRO 2 -24.365 -3.317 -38.307 6 HB3 PRO 2 HB3 PRO 2 -23.346 -4.750 -38.507 7 HG2 PRO 2 HG2 PRO 2 -25.926 -4.118 -39.718 8 HG3 PRO 2 HG3 PRO 2 -24.702 -5.294 -40.216 9 HD2 PRO 2 HD2 PRO 2 -27.115 -6.012 -39.137 10 HD3 PRO 2 HD3 PRO 2 -25.646 -6.999 -38.975 11 H THR 3 H THR 3 -24.253 -4.728 -34.524 12 HA THR 3 HA THR 3 -25.130 -1.951 -34.269 13 HB THR 3 HB THR 3 -26.402 -2.642 -32.139 14 HG1 THR 3 HG1 THR 3 -27.136 -4.745 -32.141 15 HG21 THR 3 HG21 THR 3 -27.507 -3.449 -34.844 16 HG22 THR 3 HG22 THR 3 -27.464 -1.801 -34.217 17 HG23 THR 3 HG23 THR 3 -28.454 -3.022 -33.419 18 H THR 4 H THR 4 -22.599 -2.354 -34.206 19 HA THR 4 HA THR 4 -21.750 -2.933 -31.446 20 HB THR 4 HB THR 4 -19.440 -2.886 -32.456 21 HG21 THR 4 HG21 THR 4 -21.069 -4.937 -32.249 22 HG22 THR 4 HG22 THR 4 -19.596 -5.093 -33.209 23 HG23 THR 4 HG23 THR 4 -21.145 -4.815 -34.007 24 H THR 5 H THR 5 -19.683 -1.503 -30.906 25 HA THR 5 HA THR 5 -20.642 1.268 -30.998 26 HB THR 5 HB THR 5 -18.580 1.429 -29.318 27 HG21 THR 5 HG21 THR 5 -21.225 0.109 -28.637 28 HG22 THR 5 HG22 THR 5 -20.950 1.847 -28.756 29 HG23 THR 5 HG23 THR 5 -20.154 0.914 -27.490 30 HA PRO 6 HA PRO 6 -17.825 2.957 -33.870 31 HB2 PRO 6 HB2 PRO 6 -16.541 4.776 -32.042 32 HB3 PRO 6 HB3 PRO 6 -17.786 5.133 -33.248 33 HG2 PRO 6 HG2 PRO 6 -18.044 4.752 -30.365 34 HG3 PRO 6 HG3 PRO 6 -19.152 5.526 -31.507 35 HD2 PRO 6 HD2 PRO 6 -19.669 3.110 -30.323 36 HD3 PRO 6 HD3 PRO 6 -20.305 3.567 -31.919 37 H LEU 7 H LEU 7 -15.839 2.382 -34.612 38 HA LEU 7 HA LEU 7 -14.177 0.664 -33.064 39 HB2 LEU 7 HB2 LEU 7 -12.676 0.727 -35.018 40 HB3 LEU 7 HB3 LEU 7 -14.350 0.458 -35.505 41 HG LEU 7 HG LEU 7 -13.120 3.218 -35.419 42 HD11 LEU 7 HD11 LEU 7 -11.840 2.564 -37.170 43 HD12 LEU 7 HD12 LEU 7 -13.347 2.509 -38.087 44 HD13 LEU 7 HD13 LEU 7 -12.714 1.041 -37.342 45 HD21 LEU 7 HD21 LEU 7 -15.041 3.221 -37.339 46 HD22 LEU 7 HD22 LEU 7 -15.366 3.609 -35.650 47 HD23 LEU 7 HD23 LEU 7 -15.688 1.986 -36.259 48 H LYS 8 H LYS 8 -14.485 3.092 -31.686 49 HA LYS 8 HA LYS 8 -11.712 3.769 -31.248 50 HB2 LYS 8 HB2 LYS 8 -12.175 6.255 -31.534 51 HB3 LYS 8 HB3 LYS 8 -12.039 5.321 -33.024 52 HG2 LYS 8 HG2 LYS 8 -14.500 5.137 -33.134 53 HG3 LYS 8 HG3 LYS 8 -14.635 6.084 -31.652 54 HD2 LYS 8 HD2 LYS 8 -14.876 7.777 -33.207 55 HD3 LYS 8 HD3 LYS 8 -13.121 7.790 -33.029 56 HE2 LYS 8 HE2 LYS 8 -13.241 5.957 -34.939 57 HE3 LYS 8 HE3 LYS 8 -14.787 6.732 -35.281 58 HZ1 LYS 8 HZ1 LYS 8 -12.266 7.605 -36.020 59 HZ2 LYS 8 HZ2 LYS 8 -12.804 8.689 -34.828 60 HZ3 LYS 8 HZ3 LYS 8 -13.739 8.422 -36.221 61 HN1 NH2 9 HN1 NH2 9 -13.375 3.096 -28.517 62 HN2 NH2 9 HN2 NH2 9 -14.751 3.282 -29.495 63 H1 A2G 10 H1 A2G 10 -18.602 -1.396 -33.780 64 H2 A2G 10 H2 A2G 10 -17.939 -0.868 -36.087 65 HN2 A2G 10 HN2 A2G 10 -20.834 -0.391 -35.685 66 H3 A2G 10 H3 A2G 10 -20.312 -2.572 -36.895 67 HO3 A2G 10 HO3 A2G 10 -18.938 -0.633 -38.093 68 H4 A2G 10 H4 A2G 10 -18.680 -4.145 -37.771 69 HO4 A2G 10 HO4 A2G 10 -16.727 -2.413 -36.666 70 H5 A2G 10 H5 A2G 10 -19.315 -4.448 -35.418 71 H6 A2G 10 H6 A2G 10 -17.554 -5.887 -34.819 72 H8 A2G 10 H8 A2G 10 -21.356 1.798 -35.114 73 H8A A2G 10 H8A A2G 10 -21.041 2.277 -36.782 74 H8B A2G 10 H8B A2G 10 -20.179 3.065 -35.459 75 H14 A2G 10 H14 A2G 10 -17.349 -5.745 -36.565 76 H15 A2G 10 H15 A2G 10 -15.520 -5.298 -34.883 77 H1 A2G 11 H1 A2G 11 -16.968 0.337 -28.755 78 H2 A2G 11 H2 A2G 11 -15.834 -1.703 -27.984 79 HN2 A2G 11 HN2 A2G 11 -17.185 -2.128 -30.584 80 H3 A2G 11 H3 A2G 11 -18.463 -3.090 -28.578 81 HO3 A2G 11 HO3 A2G 11 -16.704 -4.411 -28.915 82 H4 A2G 11 H4 A2G 11 -18.655 -3.403 -26.175 83 HO4 A2G 11 HO4 A2G 11 -16.331 -1.807 -25.938 84 H5 A2G 11 H5 A2G 11 -19.599 -1.320 -27.068 85 H6 A2G 11 H6 A2G 11 -19.120 -1.825 -24.455 86 H8 A2G 11 H8 A2G 11 -15.881 -2.721 -32.300 87 H8A A2G 11 H8A A2G 11 -14.139 -2.867 -32.064 88 H8B A2G 11 H8B A2G 11 -14.862 -1.281 -32.329 89 H14 A2G 11 H14 A2G 11 -18.227 -0.313 -24.625 90 H15 A2G 11 H15 A2G 11 -20.934 -0.761 -25.341 Start of MODEL 23 1 H1 ACE 1 H1 ACE 1 -28.035 -7.839 -38.109 2 H2 ACE 1 H2 ACE 1 -29.483 -7.541 -37.146 3 H3 ACE 1 H3 ACE 1 -28.593 -9.052 -36.955 4 HA PRO 2 HA PRO 2 -25.976 -7.689 -33.723 5 HB2 PRO 2 HB2 PRO 2 -23.496 -7.525 -35.179 6 HB3 PRO 2 HB3 PRO 2 -24.039 -8.803 -34.082 7 HG2 PRO 2 HG2 PRO 2 -24.045 -8.728 -37.002 8 HG3 PRO 2 HG3 PRO 2 -24.158 -10.114 -35.907 9 HD2 PRO 2 HD2 PRO 2 -26.266 -9.217 -37.409 10 HD3 PRO 2 HD3 PRO 2 -26.468 -10.048 -35.849 11 H THR 3 H THR 3 -24.338 -5.929 -33.112 12 HA THR 3 HA THR 3 -24.354 -3.600 -34.877 13 HB THR 3 HB THR 3 -26.415 -3.245 -33.694 14 HG1 THR 3 HG1 THR 3 -24.891 -1.484 -33.819 15 HG21 THR 3 HG21 THR 3 -26.396 -3.203 -31.169 16 HG22 THR 3 HG22 THR 3 -24.789 -3.927 -31.235 17 HG23 THR 3 HG23 THR 3 -26.179 -4.804 -31.875 18 H THR 4 H THR 4 -22.888 -1.928 -34.177 19 HA THR 4 HA THR 4 -21.012 -2.704 -32.046 20 HB THR 4 HB THR 4 -19.093 -2.189 -33.504 21 HG21 THR 4 HG21 THR 4 -20.359 -4.512 -33.394 22 HG22 THR 4 HG22 THR 4 -19.053 -4.262 -34.552 23 HG23 THR 4 HG23 THR 4 -20.733 -4.142 -35.077 24 H THR 5 H THR 5 -19.461 -0.872 -31.573 25 HA THR 5 HA THR 5 -20.996 1.627 -31.512 26 HB THR 5 HB THR 5 -18.847 2.159 -29.978 27 HG21 THR 5 HG21 THR 5 -21.097 0.392 -28.996 28 HG22 THR 5 HG22 THR 5 -21.323 2.096 -29.387 29 HG23 THR 5 HG23 THR 5 -20.223 1.628 -28.091 30 HA PRO 6 HA PRO 6 -18.805 3.956 -34.479 31 HB2 PRO 6 HB2 PRO 6 -17.788 5.948 -32.663 32 HB3 PRO 6 HB3 PRO 6 -19.166 6.074 -33.766 33 HG2 PRO 6 HG2 PRO 6 -19.123 5.565 -30.892 34 HG3 PRO 6 HG3 PRO 6 -20.450 6.124 -31.920 35 HD2 PRO 6 HD2 PRO 6 -20.369 3.620 -30.811 36 HD3 PRO 6 HD3 PRO 6 -21.204 3.981 -32.340 37 H LEU 7 H LEU 7 -17.126 2.509 -34.972 38 HA LEU 7 HA LEU 7 -15.037 1.462 -34.685 39 HB2 LEU 7 HB2 LEU 7 -14.945 3.655 -36.114 40 HB3 LEU 7 HB3 LEU 7 -14.029 4.285 -34.744 41 HG LEU 7 HG LEU 7 -12.752 1.949 -35.019 42 HD11 LEU 7 HD11 LEU 7 -13.663 2.635 -37.831 43 HD12 LEU 7 HD12 LEU 7 -14.223 1.245 -36.901 44 HD13 LEU 7 HD13 LEU 7 -12.531 1.358 -37.385 45 HD21 LEU 7 HD21 LEU 7 -11.472 3.919 -35.089 46 HD22 LEU 7 HD22 LEU 7 -12.381 4.572 -36.452 47 HD23 LEU 7 HD23 LEU 7 -11.237 3.253 -36.706 48 H LYS 8 H LYS 8 -12.779 3.241 -33.670 49 HA LYS 8 HA LYS 8 -13.266 3.492 -30.834 50 HB2 LYS 8 HB2 LYS 8 -12.863 0.997 -31.285 51 HB3 LYS 8 HB3 LYS 8 -11.201 1.456 -31.658 52 HG2 LYS 8 HG2 LYS 8 -10.990 1.051 -29.390 53 HG3 LYS 8 HG3 LYS 8 -11.417 2.762 -29.348 54 HD2 LYS 8 HD2 LYS 8 -13.891 1.797 -29.335 55 HD3 LYS 8 HD3 LYS 8 -13.089 0.374 -28.669 56 HE2 LYS 8 HE2 LYS 8 -11.910 2.179 -27.120 57 HE3 LYS 8 HE3 LYS 8 -13.350 3.120 -27.506 58 HZ1 LYS 8 HZ1 LYS 8 -13.633 0.320 -26.656 59 HZ2 LYS 8 HZ2 LYS 8 -14.726 1.610 -26.495 60 HZ3 LYS 8 HZ3 LYS 8 -13.360 1.518 -25.488 61 HN1 NH2 9 HN1 NH2 9 -11.361 6.035 -31.524 62 HN2 NH2 9 HN2 NH2 9 -11.503 5.199 -30.053 63 H1 A2G 10 H1 A2G 10 -18.860 -0.329 -34.634 64 H2 A2G 10 H2 A2G 10 -18.756 0.627 -36.896 65 HN2 A2G 10 HN2 A2G 10 -21.571 0.398 -36.004 66 H3 A2G 10 H3 A2G 10 -20.860 -1.439 -37.597 67 HO3 A2G 10 HO3 A2G 10 -19.555 -0.143 -39.591 68 H4 A2G 10 H4 A2G 10 -19.145 -2.485 -38.965 69 HO4 A2G 10 HO4 A2G 10 -18.050 -0.293 -39.125 70 H5 A2G 10 H5 A2G 10 -19.257 -3.224 -36.626 71 H6 A2G 10 H6 A2G 10 -17.215 -4.346 -36.607 72 H8 A2G 10 H8 A2G 10 -22.374 2.276 -34.931 73 H8A A2G 10 H8A A2G 10 -22.455 3.133 -36.469 74 H8B A2G 10 H8B A2G 10 -21.520 3.806 -35.135 75 H14 A2G 10 H14 A2G 10 -17.286 -3.828 -38.291 76 H15 A2G 10 H15 A2G 10 -15.712 -2.478 -37.953 77 H1 A2G 11 H1 A2G 11 -16.998 1.245 -29.616 78 H2 A2G 11 H2 A2G 11 -15.650 -0.602 -28.714 79 HN2 A2G 11 HN2 A2G 11 -17.079 -1.442 -31.167 80 H3 A2G 11 H3 A2G 11 -18.169 -2.259 -29.016 81 HO3 A2G 11 HO3 A2G 11 -16.739 -3.723 -27.800 82 H4 A2G 11 H4 A2G 11 -18.217 -2.337 -26.588 83 HO4 A2G 11 HO4 A2G 11 -16.697 -1.176 -25.399 84 H5 A2G 11 H5 A2G 11 -19.385 -0.445 -27.627 85 H6 A2G 11 H6 A2G 11 -18.734 -0.634 -25.008 86 H8 A2G 11 H8 A2G 11 -15.813 -2.072 -32.887 87 H8A A2G 11 H8A A2G 11 -14.055 -2.015 -32.743 88 H8B A2G 11 H8B A2G 11 -14.954 -0.555 -33.156 89 H14 A2G 11 H14 A2G 11 -17.997 0.925 -25.379 90 H15 A2G 11 H15 A2G 11 -20.514 0.451 -24.902 Start of MODEL 24 1 H1 ACE 1 H1 ACE 1 -27.146 -5.874 -31.712 2 H2 ACE 1 H2 ACE 1 -26.099 -7.247 -31.349 3 H3 ACE 1 H3 ACE 1 -27.732 -7.520 -31.959 4 HA PRO 2 HA PRO 2 -26.669 -7.636 -36.203 5 HB2 PRO 2 HB2 PRO 2 -27.818 -5.127 -37.030 6 HB3 PRO 2 HB3 PRO 2 -28.478 -6.756 -37.241 7 HG2 PRO 2 HG2 PRO 2 -29.150 -4.717 -35.262 8 HG3 PRO 2 HG3 PRO 2 -30.066 -6.142 -35.771 9 HD2 PRO 2 HD2 PRO 2 -28.861 -5.935 -33.320 10 HD3 PRO 2 HD3 PRO 2 -29.132 -7.489 -34.143 11 H THR 3 H THR 3 -26.530 -4.186 -35.261 12 HA THR 3 HA THR 3 -24.021 -3.880 -36.732 13 HB THR 3 HB THR 3 -25.044 -1.583 -35.203 14 HG1 THR 3 HG1 THR 3 -27.012 -1.743 -35.857 15 HG21 THR 3 HG21 THR 3 -24.565 -0.435 -37.256 16 HG22 THR 3 HG22 THR 3 -24.546 -1.946 -38.164 17 HG23 THR 3 HG23 THR 3 -23.262 -1.597 -37.006 18 H THR 4 H THR 4 -22.264 -2.594 -35.657 19 HA THR 4 HA THR 4 -21.820 -3.667 -32.950 20 HB THR 4 HB THR 4 -19.418 -3.054 -33.421 21 HG21 THR 4 HG21 THR 4 -19.033 -5.047 -34.555 22 HG22 THR 4 HG22 THR 4 -20.393 -4.805 -35.650 23 HG23 THR 4 HG23 THR 4 -20.680 -5.308 -33.984 24 H THR 5 H THR 5 -20.130 -2.098 -31.759 25 HA THR 5 HA THR 5 -21.584 0.432 -31.456 26 HB THR 5 HB THR 5 -20.237 0.629 -29.352 27 HG21 THR 5 HG21 THR 5 -21.521 -2.093 -29.440 28 HG22 THR 5 HG22 THR 5 -22.499 -0.637 -29.635 29 HG23 THR 5 HG23 THR 5 -21.574 -0.888 -28.154 30 HA PRO 6 HA PRO 6 -18.781 3.084 -33.501 31 HB2 PRO 6 HB2 PRO 6 -18.329 4.796 -31.229 32 HB3 PRO 6 HB3 PRO 6 -19.379 5.083 -32.625 33 HG2 PRO 6 HG2 PRO 6 -20.066 4.177 -29.936 34 HG3 PRO 6 HG3 PRO 6 -21.097 4.883 -31.189 35 HD2 PRO 6 HD2 PRO 6 -21.230 2.249 -30.451 36 HD3 PRO 6 HD3 PRO 6 -21.652 2.825 -32.080 37 H LEU 7 H LEU 7 -16.709 2.606 -33.926 38 HA LEU 7 HA LEU 7 -14.996 1.324 -32.043 39 HB2 LEU 7 HB2 LEU 7 -13.320 1.412 -33.791 40 HB3 LEU 7 HB3 LEU 7 -14.874 0.998 -34.517 41 HG LEU 7 HG LEU 7 -14.893 3.760 -34.587 42 HD11 LEU 7 HD11 LEU 7 -12.142 2.880 -35.483 43 HD12 LEU 7 HD12 LEU 7 -12.432 3.584 -33.892 44 HD13 LEU 7 HD13 LEU 7 -12.766 4.525 -35.346 45 HD21 LEU 7 HD21 LEU 7 -15.606 2.241 -36.385 46 HD22 LEU 7 HD22 LEU 7 -13.925 1.802 -36.696 47 HD23 LEU 7 HD23 LEU 7 -14.481 3.445 -37.016 48 H LYS 8 H LYS 8 -13.040 2.099 -31.138 49 HA LYS 8 HA LYS 8 -11.943 3.637 -29.804 50 HB2 LYS 8 HB2 LYS 8 -10.969 3.966 -32.096 51 HB3 LYS 8 HB3 LYS 8 -12.099 5.302 -32.325 52 HG2 LYS 8 HG2 LYS 8 -10.619 6.649 -31.294 53 HG3 LYS 8 HG3 LYS 8 -10.908 5.741 -29.809 54 HD2 LYS 8 HD2 LYS 8 -8.527 5.702 -30.264 55 HD3 LYS 8 HD3 LYS 8 -9.171 4.087 -30.562 56 HE2 LYS 8 HE2 LYS 8 -8.348 4.185 -32.653 57 HE3 LYS 8 HE3 LYS 8 -9.451 5.521 -32.989 58 HZ1 LYS 8 HZ1 LYS 8 -6.636 5.612 -32.131 59 HZ2 LYS 8 HZ2 LYS 8 -7.669 6.916 -31.785 60 HZ3 LYS 8 HZ3 LYS 8 -7.397 6.447 -33.396 61 HN1 NH2 9 HN1 NH2 9 -14.186 6.905 -30.558 62 HN2 NH2 9 HN2 NH2 9 -12.502 6.756 -30.703 63 H1 A2G 10 H1 A2G 10 -18.733 -1.135 -34.218 64 H2 A2G 10 H2 A2G 10 -17.757 -0.028 -36.184 65 HN2 A2G 10 HN2 A2G 10 -20.711 -0.188 -36.310 66 H3 A2G 10 H3 A2G 10 -19.479 -1.928 -37.799 67 HO3 A2G 10 HO3 A2G 10 -18.280 -0.939 -39.508 68 H4 A2G 10 H4 A2G 10 -17.396 -2.964 -38.502 69 HO4 A2G 10 HO4 A2G 10 -16.356 -0.717 -37.761 70 H5 A2G 10 H5 A2G 10 -18.404 -3.858 -36.451 71 H6 A2G 10 H6 A2G 10 -16.337 -4.771 -35.391 72 H8 A2G 10 H8 A2G 10 -21.613 1.906 -35.290 73 H8A A2G 10 H8A A2G 10 -21.554 2.253 -37.019 74 H8B A2G 10 H8B A2G 10 -20.796 3.356 -35.872 75 H14 A2G 10 H14 A2G 10 -16.271 -4.844 -37.151 76 H15 A2G 10 H15 A2G 10 -14.758 -3.393 -35.388 77 H1 A2G 11 H1 A2G 11 -17.977 0.472 -29.816 78 H2 A2G 11 H2 A2G 11 -16.031 -0.774 -28.982 79 HN2 A2G 11 HN2 A2G 11 -17.392 -2.188 -31.200 80 H3 A2G 11 H3 A2G 11 -17.913 -3.146 -28.862 81 HO3 A2G 11 HO3 A2G 11 -16.047 -4.082 -27.877 82 H4 A2G 11 H4 A2G 11 -17.687 -2.999 -26.447 83 HO4 A2G 11 HO4 A2G 11 -16.614 -0.684 -26.023 84 H5 A2G 11 H5 A2G 11 -19.493 -1.667 -27.443 85 H6 A2G 11 H6 A2G 11 -18.799 -1.480 -24.938 86 H8 A2G 11 H8 A2G 11 -16.269 -2.534 -33.033 87 H8A A2G 11 H8A A2G 11 -14.517 -2.347 -32.980 88 H8B A2G 11 H8B A2G 11 -15.533 -0.987 -33.453 89 H14 A2G 11 H14 A2G 11 -18.200 0.118 -25.383 90 H15 A2G 11 H15 A2G 11 -20.629 -0.258 -26.432
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