NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
536585 | 2lhz | 17872 | 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 -3.097 -53.111 -19.183 2 H2 ACE 1 H2 ACE 1 -2.275 -51.553 -19.091 3 H3 ACE 1 H3 ACE 1 -2.430 -52.556 -17.648 4 HA PRO 2 HA PRO 2 0.449 -55.308 -20.505 5 HB2 PRO 2 HB2 PRO 2 1.304 -53.556 -22.627 6 HB3 PRO 2 HB3 PRO 2 0.418 -55.083 -22.757 7 HG2 PRO 2 HG2 PRO 2 -0.572 -52.340 -22.894 8 HG3 PRO 2 HG3 PRO 2 -1.326 -53.842 -23.446 9 HD2 PRO 2 HD2 PRO 2 -2.220 -52.429 -21.277 10 HD3 PRO 2 HD3 PRO 2 -2.416 -54.190 -21.439 11 H THR 3 H THR 3 2.841 -55.179 -20.745 12 HA THR 3 HA THR 3 4.056 -52.709 -19.724 13 HB THR 3 HB THR 3 5.311 -53.951 -18.006 14 HG21 THR 3 HG21 THR 3 2.885 -52.975 -17.700 15 HG22 THR 3 HG22 THR 3 3.591 -53.976 -16.430 16 HG23 THR 3 HG23 THR 3 2.431 -54.674 -17.561 17 H THR 4 H THR 4 6.592 -53.310 -19.473 18 HA THR 4 HA THR 4 7.414 -54.870 -21.834 19 HB THR 4 HB THR 4 8.950 -53.088 -22.522 20 HG21 THR 4 HG21 THR 4 6.361 -51.636 -22.175 21 HG22 THR 4 HG22 THR 4 6.341 -53.159 -23.066 22 HG23 THR 4 HG23 THR 4 7.354 -51.826 -23.620 23 H THR 5 H THR 5 9.596 -55.608 -21.767 24 HA THR 5 HA THR 5 10.511 -56.148 -19.070 25 HB THR 5 HB THR 5 11.070 -58.044 -20.143 26 HG1 THR 5 HG1 THR 5 13.046 -57.862 -21.404 27 HG21 THR 5 HG21 THR 5 9.655 -57.465 -22.036 28 HG22 THR 5 HG22 THR 5 11.153 -58.177 -22.637 29 HG23 THR 5 HG23 THR 5 10.918 -56.430 -22.703 30 HA PRO 6 HA PRO 6 13.656 -53.208 -18.367 31 HB2 PRO 6 HB2 PRO 6 15.894 -55.022 -18.409 32 HB3 PRO 6 HB3 PRO 6 15.077 -54.323 -17.003 33 HG2 PRO 6 HG2 PRO 6 14.801 -56.979 -18.185 34 HG3 PRO 6 HG3 PRO 6 14.354 -56.408 -16.571 35 HD2 PRO 6 HD2 PRO 6 12.513 -57.040 -18.498 36 HD3 PRO 6 HD3 PRO 6 12.211 -55.840 -17.220 37 H LEU 7 H LEU 7 13.711 -52.020 -20.267 38 HA LEU 7 HA LEU 7 14.932 -52.988 -22.676 39 HB2 LEU 7 HB2 LEU 7 13.107 -51.134 -22.333 40 HB3 LEU 7 HB3 LEU 7 14.501 -50.074 -22.123 41 HG LEU 7 HG LEU 7 15.321 -51.358 -24.324 42 HD11 LEU 7 HD11 LEU 7 13.298 -52.794 -24.392 43 HD12 LEU 7 HD12 LEU 7 13.422 -51.774 -25.825 44 HD13 LEU 7 HD13 LEU 7 12.294 -51.352 -24.536 45 HD21 LEU 7 HD21 LEU 7 13.356 -49.052 -24.178 46 HD22 LEU 7 HD22 LEU 7 14.260 -49.477 -25.632 47 HD23 LEU 7 HD23 LEU 7 15.116 -48.948 -24.184 48 H LYS 8 H LYS 8 17.053 -53.244 -22.911 49 HA LYS 8 HA LYS 8 18.869 -51.090 -22.219 50 HB2 LYS 8 HB2 LYS 8 18.564 -53.421 -20.507 51 HB3 LYS 8 HB3 LYS 8 20.209 -53.277 -21.129 52 HG2 LYS 8 HG2 LYS 8 20.405 -51.021 -20.295 53 HG3 LYS 8 HG3 LYS 8 18.695 -50.978 -19.865 54 HD2 LYS 8 HD2 LYS 8 20.101 -51.392 -17.875 55 HD3 LYS 8 HD3 LYS 8 19.056 -52.772 -18.214 56 HE2 LYS 8 HE2 LYS 8 21.793 -52.709 -19.433 57 HE3 LYS 8 HE3 LYS 8 21.634 -53.133 -17.728 58 HZ1 LYS 8 HZ1 LYS 8 20.399 -54.995 -18.211 59 HZ2 LYS 8 HZ2 LYS 8 21.489 -54.972 -19.514 60 HZ3 LYS 8 HZ3 LYS 8 19.897 -54.418 -19.725 61 HN1 NH2 9 HN1 NH2 9 19.800 -54.324 -24.569 62 HN2 NH2 9 HN2 NH2 9 18.703 -54.530 -23.291 63 H1 A2G 10 H1 A2G 10 6.453 -55.734 -18.896 64 H2 A2G 10 H2 A2G 10 6.762 -58.128 -18.436 65 HN2 A2G 10 HN2 A2G 10 4.500 -57.631 -20.282 66 H3 A2G 10 H3 A2G 10 3.786 -58.156 -17.864 67 HO3 A2G 10 HO3 A2G 10 4.064 -60.272 -17.640 68 H4 A2G 10 H4 A2G 10 4.385 -58.560 -15.548 69 HO4 A2G 10 HO4 A2G 10 6.981 -58.006 -15.581 70 H5 A2G 10 H5 A2G 10 4.230 -56.198 -16.184 71 H6 A2G 10 H6 A2G 10 6.734 -56.287 -14.538 72 H8 A2G 10 H8 A2G 10 4.973 -59.475 -22.340 73 H8A A2G 10 H8A A2G 10 6.520 -58.865 -22.927 74 H8B A2G 10 H8B A2G 10 5.212 -57.741 -22.559 75 H14 A2G 10 H14 A2G 10 5.264 -55.345 -14.286 76 H15 A2G 10 H15 A2G 10 5.619 -57.202 -12.852 77 H1 A2G 11 H1 A2G 11 10.462 -52.262 -21.126 78 H2 A2G 11 H2 A2G 11 11.172 -50.175 -20.040 79 HN2 A2G 11 HN2 A2G 11 9.143 -51.661 -18.477 80 H3 A2G 11 H3 A2G 11 8.209 -49.598 -19.773 81 HO3 A2G 11 HO3 A2G 11 9.090 -47.582 -19.023 82 H4 A2G 11 H4 A2G 11 8.578 -47.804 -21.370 83 HO4 A2G 11 HO4 A2G 11 10.813 -48.072 -22.435 84 H5 A2G 11 H5 A2G 11 8.023 -49.998 -22.323 85 H6 A2G 11 H6 A2G 11 8.822 -49.621 -24.560 86 H8 A2G 11 H8 A2G 11 10.091 -52.960 -16.787 87 H8A A2G 11 H8A A2G 11 10.239 -51.489 -15.825 88 H8B A2G 11 H8B A2G 11 11.662 -52.480 -16.144 89 H14 A2G 11 H14 A2G 11 8.648 -48.031 -23.816 90 H15 A2G 11 H15 A2G 11 10.807 -49.076 -24.880 Start of MODEL 2 1 H1 ACE 1 H1 ACE 1 -1.895 -52.504 -16.718 2 H2 ACE 1 H2 ACE 1 -2.761 -53.101 -18.134 3 H3 ACE 1 H3 ACE 1 -1.923 -51.551 -18.201 4 HA PRO 2 HA PRO 2 0.568 -55.379 -19.831 5 HB2 PRO 2 HB2 PRO 2 1.151 -53.706 -22.104 6 HB3 PRO 2 HB3 PRO 2 0.245 -55.227 -22.067 7 HG2 PRO 2 HG2 PRO 2 -0.736 -52.478 -22.165 8 HG3 PRO 2 HG3 PRO 2 -1.565 -53.989 -22.564 9 HD2 PRO 2 HD2 PRO 2 -2.159 -52.497 -20.345 10 HD3 PRO 2 HD3 PRO 2 -2.386 -54.259 -20.422 11 H THR 3 H THR 3 2.906 -55.303 -20.340 12 HA THR 3 HA THR 3 4.266 -52.809 -19.598 13 HB THR 3 HB THR 3 5.663 -53.921 -17.949 14 HG21 THR 3 HG21 THR 3 2.872 -54.801 -17.257 15 HG22 THR 3 HG22 THR 3 3.242 -53.084 -17.420 16 HG23 THR 3 HG23 THR 3 4.088 -54.058 -16.219 17 H THR 4 H THR 4 6.521 -52.784 -20.186 18 HA THR 4 HA THR 4 7.080 -54.582 -22.455 19 HB THR 4 HB THR 4 8.814 -52.816 -23.020 20 HG21 THR 4 HG21 THR 4 7.233 -51.467 -24.128 21 HG22 THR 4 HG22 THR 4 6.060 -51.610 -22.819 22 HG23 THR 4 HG23 THR 4 6.366 -52.983 -23.883 23 H THR 5 H THR 5 9.523 -54.937 -22.785 24 HA THR 5 HA THR 5 10.525 -56.215 -20.384 25 HB THR 5 HB THR 5 11.704 -57.517 -21.805 26 HG1 THR 5 HG1 THR 5 12.403 -55.822 -23.782 27 HG21 THR 5 HG21 THR 5 10.295 -56.012 -24.017 28 HG22 THR 5 HG22 THR 5 9.455 -57.131 -22.943 29 HG23 THR 5 HG23 THR 5 10.751 -57.716 -23.986 30 HA PRO 6 HA PRO 6 13.551 -53.236 -19.256 31 HB2 PRO 6 HB2 PRO 6 15.773 -55.057 -19.019 32 HB3 PRO 6 HB3 PRO 6 14.720 -54.440 -17.736 33 HG2 PRO 6 HG2 PRO 6 14.812 -57.056 -18.618 34 HG3 PRO 6 HG3 PRO 6 13.493 -56.324 -17.692 35 HD2 PRO 6 HD2 PRO 6 13.634 -56.934 -20.608 36 HD3 PRO 6 HD3 PRO 6 12.223 -56.889 -19.527 37 H LEU 7 H LEU 7 14.291 -51.781 -20.697 38 HA LEU 7 HA LEU 7 15.608 -52.527 -23.136 39 HB2 LEU 7 HB2 LEU 7 14.969 -49.916 -21.787 40 HB3 LEU 7 HB3 LEU 7 16.009 -49.964 -23.210 41 HG LEU 7 HG LEU 7 13.563 -49.607 -23.727 42 HD11 LEU 7 HD11 LEU 7 14.050 -52.201 -24.991 43 HD12 LEU 7 HD12 LEU 7 15.472 -51.158 -25.020 44 HD13 LEU 7 HD13 LEU 7 13.954 -50.598 -25.722 45 HD21 LEU 7 HD21 LEU 7 12.001 -51.374 -23.396 46 HD22 LEU 7 HD22 LEU 7 12.868 -51.242 -21.866 47 HD23 LEU 7 HD23 LEU 7 13.274 -52.529 -23.001 48 H LYS 8 H LYS 8 17.253 -53.813 -21.779 49 HA LYS 8 HA LYS 8 19.707 -52.266 -21.734 50 HB2 LYS 8 HB2 LYS 8 20.265 -53.111 -19.401 51 HB3 LYS 8 HB3 LYS 8 19.061 -51.824 -19.481 52 HG2 LYS 8 HG2 LYS 8 17.293 -53.259 -18.982 53 HG3 LYS 8 HG3 LYS 8 18.157 -54.685 -19.559 54 HD2 LYS 8 HD2 LYS 8 17.975 -54.607 -17.067 55 HD3 LYS 8 HD3 LYS 8 19.646 -54.618 -17.632 56 HE2 LYS 8 HE2 LYS 8 19.055 -52.909 -15.802 57 HE3 LYS 8 HE3 LYS 8 19.920 -52.299 -17.213 58 HZ1 LYS 8 HZ1 LYS 8 17.777 -51.645 -18.167 59 HZ2 LYS 8 HZ2 LYS 8 18.077 -50.863 -16.688 60 HZ3 LYS 8 HZ3 LYS 8 16.989 -52.165 -16.757 61 HN1 NH2 9 HN1 NH2 9 21.352 -54.199 -20.450 62 HN2 NH2 9 HN2 NH2 9 21.150 -55.736 -21.145 63 H1 A2G 10 H1 A2G 10 6.874 -55.633 -18.785 64 H2 A2G 10 H2 A2G 10 7.364 -57.999 -18.337 65 HN2 A2G 10 HN2 A2G 10 5.023 -57.626 -20.110 66 H3 A2G 10 H3 A2G 10 4.421 -58.221 -17.649 67 HO3 A2G 10 HO3 A2G 10 5.152 -60.112 -18.482 68 H4 A2G 10 H4 A2G 10 5.149 -58.595 -15.361 69 HO4 A2G 10 HO4 A2G 10 7.718 -57.825 -15.630 70 H5 A2G 10 H5 A2G 10 4.780 -56.255 -16.004 71 H6 A2G 10 H6 A2G 10 7.315 -56.443 -14.352 72 H8 A2G 10 H8 A2G 10 5.348 -59.409 -22.094 73 H8A A2G 10 H8A A2G 10 6.945 -59.060 -22.756 74 H8B A2G 10 H8B A2G 10 5.803 -57.747 -22.470 75 H14 A2G 10 H14 A2G 10 6.069 -55.198 -14.257 76 H15 A2G 10 H15 A2G 10 4.749 -56.553 -13.255 77 H1 A2G 11 H1 A2G 11 10.187 -51.745 -21.791 78 H2 A2G 11 H2 A2G 11 10.699 -49.703 -20.524 79 HN2 A2G 11 HN2 A2G 11 8.940 -51.524 -18.986 80 H3 A2G 11 H3 A2G 11 7.711 -49.542 -20.039 81 HO3 A2G 11 HO3 A2G 11 8.948 -47.322 -19.473 82 H4 A2G 11 H4 A2G 11 7.734 -47.579 -21.464 83 HO4 A2G 11 HO4 A2G 11 10.416 -48.102 -22.121 84 H5 A2G 11 H5 A2G 11 7.418 -49.711 -22.634 85 H6 A2G 11 H6 A2G 11 7.927 -48.964 -24.821 86 H8 A2G 11 H8 A2G 11 10.120 -52.956 -17.574 87 H8A A2G 11 H8A A2G 11 10.327 -51.599 -16.466 88 H8B A2G 11 H8B A2G 11 11.737 -52.478 -17.058 89 H14 A2G 11 H14 A2G 11 7.807 -47.473 -23.887 90 H15 A2G 11 H15 A2G 11 9.895 -48.433 -25.237 Start of MODEL 3 1 H1 ACE 1 H1 ACE 1 -2.353 -52.212 -19.295 2 H2 ACE 1 H2 ACE 1 -2.379 -53.375 -17.970 3 H3 ACE 1 H3 ACE 1 -3.008 -53.829 -19.553 4 HA PRO 2 HA PRO 2 0.729 -55.478 -21.124 5 HB2 PRO 2 HB2 PRO 2 1.362 -53.423 -23.042 6 HB3 PRO 2 HB3 PRO 2 0.640 -55.012 -23.338 7 HG2 PRO 2 HG2 PRO 2 -0.635 -52.391 -23.166 8 HG3 PRO 2 HG3 PRO 2 -1.235 -53.895 -23.879 9 HD2 PRO 2 HD2 PRO 2 -2.240 -52.832 -21.563 10 HD3 PRO 2 HD3 PRO 2 -2.251 -54.575 -21.918 11 H THR 3 H THR 3 3.019 -55.261 -21.011 12 HA THR 3 HA THR 3 4.087 -52.712 -20.023 13 HB THR 3 HB THR 3 5.221 -53.823 -18.147 14 HG21 THR 3 HG21 THR 3 3.374 -53.858 -16.721 15 HG22 THR 3 HG22 THR 3 2.345 -54.649 -17.914 16 HG23 THR 3 HG23 THR 3 2.743 -52.940 -18.089 17 H THR 4 H THR 4 6.610 -53.237 -19.538 18 HA THR 4 HA THR 4 7.655 -54.874 -21.753 19 HB THR 4 HB THR 4 9.187 -53.092 -22.415 20 HG21 THR 4 HG21 THR 4 7.648 -51.900 -23.658 21 HG22 THR 4 HG22 THR 4 6.576 -51.649 -22.280 22 HG23 THR 4 HG23 THR 4 6.608 -53.210 -23.100 23 H THR 5 H THR 5 9.845 -55.546 -21.481 24 HA THR 5 HA THR 5 10.548 -55.954 -18.698 25 HB THR 5 HB THR 5 12.593 -57.083 -20.013 26 HG1 THR 5 HG1 THR 5 12.037 -57.634 -22.035 27 HG21 THR 5 HG21 THR 5 11.287 -58.487 -18.692 28 HG22 THR 5 HG22 THR 5 10.920 -59.089 -20.308 29 HG23 THR 5 HG23 THR 5 9.789 -58.011 -19.490 30 HA PRO 6 HA PRO 6 13.470 -52.818 -17.885 31 HB2 PRO 6 HB2 PRO 6 15.721 -54.562 -17.453 32 HB3 PRO 6 HB3 PRO 6 14.711 -53.758 -16.243 33 HG2 PRO 6 HG2 PRO 6 14.640 -56.520 -17.189 34 HG3 PRO 6 HG3 PRO 6 13.970 -55.814 -15.711 35 HD2 PRO 6 HD2 PRO 6 12.416 -56.675 -17.795 36 HD3 PRO 6 HD3 PRO 6 11.925 -55.371 -16.692 37 H LEU 7 H LEU 7 13.836 -51.758 -19.803 38 HA LEU 7 HA LEU 7 15.316 -52.913 -21.975 39 HB2 LEU 7 HB2 LEU 7 13.646 -50.678 -21.608 40 HB3 LEU 7 HB3 LEU 7 15.220 -50.031 -22.067 41 HG LEU 7 HG LEU 7 15.264 -51.678 -23.968 42 HD11 LEU 7 HD11 LEU 7 13.703 -53.295 -24.102 43 HD12 LEU 7 HD12 LEU 7 12.411 -52.094 -24.075 44 HD13 LEU 7 HD13 LEU 7 13.049 -52.738 -22.561 45 HD21 LEU 7 HD21 LEU 7 13.240 -50.473 -25.168 46 HD22 LEU 7 HD22 LEU 7 14.662 -49.544 -24.689 47 HD23 LEU 7 HD23 LEU 7 13.207 -49.509 -23.692 48 H LYS 8 H LYS 8 17.445 -52.845 -22.377 49 HA LYS 8 HA LYS 8 19.210 -51.739 -20.356 50 HB2 LYS 8 HB2 LYS 8 20.945 -52.666 -22.120 51 HB3 LYS 8 HB3 LYS 8 20.044 -53.771 -21.081 52 HG2 LYS 8 HG2 LYS 8 18.784 -52.970 -23.667 53 HG3 LYS 8 HG3 LYS 8 20.130 -54.107 -23.731 54 HD2 LYS 8 HD2 LYS 8 17.968 -54.586 -21.718 55 HD3 LYS 8 HD3 LYS 8 17.639 -54.970 -23.408 56 HE2 LYS 8 HE2 LYS 8 20.008 -55.992 -21.815 57 HE3 LYS 8 HE3 LYS 8 18.562 -56.926 -22.200 58 HZ1 LYS 8 HZ1 LYS 8 19.136 -56.239 -24.613 59 HZ2 LYS 8 HZ2 LYS 8 19.983 -57.519 -23.885 60 HZ3 LYS 8 HZ3 LYS 8 20.693 -55.981 -23.993 61 HN1 NH2 9 HN1 NH2 9 21.139 -50.299 -21.109 62 HN2 NH2 9 HN2 NH2 9 21.059 -49.500 -22.604 63 H1 A2G 10 H1 A2G 10 6.512 -55.589 -18.809 64 H2 A2G 10 H2 A2G 10 6.863 -57.948 -18.209 65 HN2 A2G 10 HN2 A2G 10 4.810 -57.584 -20.310 66 H3 A2G 10 H3 A2G 10 3.848 -58.070 -17.937 67 HO3 A2G 10 HO3 A2G 10 4.269 -60.178 -17.341 68 H4 A2G 10 H4 A2G 10 4.235 -58.369 -15.557 69 HO4 A2G 10 HO4 A2G 10 6.975 -57.933 -16.124 70 H5 A2G 10 H5 A2G 10 4.031 -56.049 -16.330 71 H6 A2G 10 H6 A2G 10 6.341 -55.992 -14.406 72 H8 A2G 10 H8 A2G 10 5.468 -59.667 -22.111 73 H8A A2G 10 H8A A2G 10 7.040 -59.062 -22.633 74 H8B A2G 10 H8B A2G 10 5.675 -57.956 -22.482 75 H14 A2G 10 H14 A2G 10 4.862 -55.032 -14.393 76 H15 A2G 10 H15 A2G 10 3.720 -56.903 -13.819 77 H1 A2G 11 H1 A2G 11 10.602 -52.216 -20.940 78 H2 A2G 11 H2 A2G 11 11.232 -50.084 -19.891 79 HN2 A2G 11 HN2 A2G 11 9.107 -51.521 -18.413 80 H3 A2G 11 H3 A2G 11 8.256 -49.510 -19.835 81 HO3 A2G 11 HO3 A2G 11 10.342 -47.709 -19.311 82 H4 A2G 11 H4 A2G 11 8.706 -47.790 -21.486 83 HO4 A2G 11 HO4 A2G 11 10.961 -47.940 -22.401 84 H5 A2G 11 H5 A2G 11 8.249 -50.018 -22.404 85 H6 A2G 11 H6 A2G 11 9.033 -49.611 -24.574 86 H8 A2G 11 H8 A2G 11 9.766 -52.587 -16.556 87 H8A A2G 11 H8A A2G 11 10.199 -51.153 -15.626 88 H8B A2G 11 H8B A2G 11 11.415 -52.382 -15.969 89 H14 A2G 11 H14 A2G 11 9.156 -48.012 -23.840 90 H15 A2G 11 H15 A2G 11 11.227 -49.931 -24.096 Start of MODEL 4 1 H1 ACE 1 H1 ACE 1 -2.622 -55.887 -18.184 2 H2 ACE 1 H2 ACE 1 -2.319 -54.216 -17.706 3 H3 ACE 1 H3 ACE 1 -1.795 -55.540 -16.665 4 HA PRO 2 HA PRO 2 0.977 -56.209 -20.653 5 HB2 PRO 2 HB2 PRO 2 0.697 -53.784 -22.183 6 HB3 PRO 2 HB3 PRO 2 0.315 -55.441 -22.677 7 HG2 PRO 2 HG2 PRO 2 -1.466 -53.316 -21.761 8 HG3 PRO 2 HG3 PRO 2 -1.838 -54.794 -22.661 9 HD2 PRO 2 HD2 PRO 2 -2.548 -54.418 -20.041 10 HD3 PRO 2 HD3 PRO 2 -2.231 -56.021 -20.742 11 H THR 3 H THR 3 3.129 -55.508 -20.733 12 HA THR 3 HA THR 3 3.783 -52.898 -19.560 13 HB THR 3 HB THR 3 5.421 -53.923 -18.025 14 HG21 THR 3 HG21 THR 3 3.870 -54.455 -16.368 15 HG22 THR 3 HG22 THR 3 2.830 -55.339 -17.485 16 HG23 THR 3 HG23 THR 3 2.858 -53.576 -17.513 17 H THR 4 H THR 4 6.253 -52.580 -19.657 18 HA THR 4 HA THR 4 7.410 -53.919 -22.012 19 HB THR 4 HB THR 4 8.130 -51.787 -22.945 20 HG21 THR 4 HG21 THR 4 5.298 -51.122 -22.399 21 HG22 THR 4 HG22 THR 4 5.582 -52.749 -23.019 22 HG23 THR 4 HG23 THR 4 6.125 -51.346 -23.940 23 H THR 5 H THR 5 9.583 -54.261 -21.901 24 HA THR 5 HA THR 5 11.235 -52.868 -19.970 25 HB THR 5 HB THR 5 10.157 -54.594 -18.567 26 HG1 THR 5 HG1 THR 5 12.380 -53.982 -18.277 27 HG21 THR 5 HG21 THR 5 11.570 -56.832 -19.830 28 HG22 THR 5 HG22 THR 5 10.296 -56.151 -20.842 29 HG23 THR 5 HG23 THR 5 9.916 -56.745 -19.225 30 HA PRO 6 HA PRO 6 13.392 -54.491 -23.735 31 HB2 PRO 6 HB2 PRO 6 14.282 -51.804 -24.277 32 HB3 PRO 6 HB3 PRO 6 13.170 -52.802 -25.224 33 HG2 PRO 6 HG2 PRO 6 12.486 -50.522 -23.824 34 HG3 PRO 6 HG3 PRO 6 11.359 -51.766 -24.384 35 HD2 PRO 6 HD2 PRO 6 12.434 -51.297 -21.642 36 HD3 PRO 6 HD3 PRO 6 10.871 -51.983 -22.144 37 H LEU 7 H LEU 7 14.160 -53.662 -20.775 38 HA LEU 7 HA LEU 7 16.885 -52.788 -20.986 39 HB2 LEU 7 HB2 LEU 7 15.166 -53.839 -18.753 40 HB3 LEU 7 HB3 LEU 7 16.899 -53.608 -18.523 41 HG LEU 7 HG LEU 7 15.493 -51.617 -17.864 42 HD11 LEU 7 HD11 LEU 7 17.288 -50.330 -18.353 43 HD12 LEU 7 HD12 LEU 7 17.045 -50.520 -20.089 44 HD13 LEU 7 HD13 LEU 7 17.936 -51.744 -19.185 45 HD21 LEU 7 HD21 LEU 7 15.149 -51.229 -20.843 46 HD22 LEU 7 HD22 LEU 7 14.384 -50.331 -19.534 47 HD23 LEU 7 HD23 LEU 7 13.908 -51.998 -19.854 48 H LYS 8 H LYS 8 18.559 -54.220 -19.696 49 HA LYS 8 HA LYS 8 18.820 -56.669 -21.232 50 HB2 LYS 8 HB2 LYS 8 20.647 -55.471 -19.134 51 HB3 LYS 8 HB3 LYS 8 21.047 -56.800 -20.223 52 HG2 LYS 8 HG2 LYS 8 21.853 -55.169 -21.583 53 HG3 LYS 8 HG3 LYS 8 20.158 -54.893 -21.985 54 HD2 LYS 8 HD2 LYS 8 20.951 -52.753 -21.366 55 HD3 LYS 8 HD3 LYS 8 20.125 -53.336 -19.921 56 HE2 LYS 8 HE2 LYS 8 22.069 -52.823 -18.860 57 HE3 LYS 8 HE3 LYS 8 22.650 -54.339 -19.548 58 HZ1 LYS 8 HZ1 LYS 8 24.219 -52.985 -20.395 59 HZ2 LYS 8 HZ2 LYS 8 23.239 -51.599 -20.324 60 HZ3 LYS 8 HZ3 LYS 8 23.052 -52.712 -21.596 61 HN1 NH2 9 HN1 NH2 9 18.581 -56.523 -17.316 62 HN2 NH2 9 HN2 NH2 9 19.860 -57.561 -17.726 63 H1 A2G 10 H1 A2G 10 6.875 -55.326 -19.135 64 H2 A2G 10 H2 A2G 10 7.761 -57.604 -18.876 65 HN2 A2G 10 HN2 A2G 10 5.310 -57.540 -20.538 66 H3 A2G 10 H3 A2G 10 4.924 -58.353 -18.116 67 HO3 A2G 10 HO3 A2G 10 6.701 -59.767 -19.234 68 H4 A2G 10 H4 A2G 10 5.798 -58.756 -15.885 69 HO4 A2G 10 HO4 A2G 10 8.055 -57.885 -15.601 70 H5 A2G 10 H5 A2G 10 5.028 -56.470 -16.344 71 H6 A2G 10 H6 A2G 10 7.581 -56.001 -14.856 72 H8 A2G 10 H8 A2G 10 6.145 -59.132 -22.812 73 H8A A2G 10 H8A A2G 10 7.337 -57.966 -23.386 74 H8B A2G 10 H8B A2G 10 5.768 -57.409 -22.805 75 H14 A2G 10 H14 A2G 10 5.935 -55.530 -14.432 76 H15 A2G 10 H15 A2G 10 7.312 -57.832 -13.871 77 H1 A2G 11 H1 A2G 11 9.313 -50.351 -22.101 78 H2 A2G 11 H2 A2G 11 9.654 -48.278 -20.829 79 HN2 A2G 11 HN2 A2G 11 8.681 -50.461 -19.082 80 H3 A2G 11 H3 A2G 11 6.871 -48.778 -19.742 81 HO3 A2G 11 HO3 A2G 11 8.297 -47.772 -18.300 82 H4 A2G 11 H4 A2G 11 6.200 -46.806 -20.993 83 HO4 A2G 11 HO4 A2G 11 8.435 -45.936 -20.856 84 H5 A2G 11 H5 A2G 11 6.070 -48.941 -22.197 85 H6 A2G 11 H6 A2G 11 5.949 -48.068 -24.408 86 H8 A2G 11 H8 A2G 11 10.415 -51.638 -18.031 87 H8A A2G 11 H8A A2G 11 10.546 -50.273 -16.921 88 H8B A2G 11 H8B A2G 11 11.962 -50.819 -17.818 89 H14 A2G 11 H14 A2G 11 5.671 -46.676 -23.362 90 H15 A2G 11 H15 A2G 11 7.540 -46.966 -25.181 Start of MODEL 5 1 H1 ACE 1 H1 ACE 1 -2.210 -51.675 -20.161 2 H2 ACE 1 H2 ACE 1 -2.532 -52.353 -18.566 3 H3 ACE 1 H3 ACE 1 -3.054 -53.216 -20.013 4 HA PRO 2 HA PRO 2 0.556 -55.643 -20.482 5 HB2 PRO 2 HB2 PRO 2 1.663 -54.369 -22.816 6 HB3 PRO 2 HB3 PRO 2 0.760 -55.888 -22.723 7 HG2 PRO 2 HG2 PRO 2 -0.146 -53.229 -23.521 8 HG3 PRO 2 HG3 PRO 2 -0.875 -54.812 -23.830 9 HD2 PRO 2 HD2 PRO 2 -1.952 -52.980 -22.101 10 HD3 PRO 2 HD3 PRO 2 -2.172 -54.736 -21.919 11 H THR 3 H THR 3 3.039 -55.466 -20.796 12 HA THR 3 HA THR 3 4.101 -52.871 -19.928 13 HB THR 3 HB THR 3 5.352 -53.905 -18.085 14 HG21 THR 3 HG21 THR 3 3.580 -53.958 -16.567 15 HG22 THR 3 HG22 THR 3 2.514 -54.802 -17.690 16 HG23 THR 3 HG23 THR 3 2.858 -53.089 -17.920 17 H THR 4 H THR 4 6.654 -53.319 -19.574 18 HA THR 4 HA THR 4 7.620 -54.999 -21.792 19 HB THR 4 HB THR 4 9.101 -53.183 -22.548 20 HG21 THR 4 HG21 THR 4 6.547 -53.482 -23.224 21 HG22 THR 4 HG22 THR 4 7.486 -52.110 -23.815 22 HG23 THR 4 HG23 THR 4 6.396 -51.908 -22.443 23 H THR 5 H THR 5 9.920 -55.471 -21.663 24 HA THR 5 HA THR 5 10.747 -55.898 -18.919 25 HB THR 5 HB THR 5 11.205 -57.174 -21.399 26 HG1 THR 5 HG1 THR 5 11.868 -58.741 -20.063 27 HG21 THR 5 HG21 THR 5 13.156 -55.645 -21.636 28 HG22 THR 5 HG22 THR 5 13.640 -57.333 -21.471 29 HG23 THR 5 HG23 THR 5 13.776 -56.238 -20.095 30 HA PRO 6 HA PRO 6 13.419 -52.545 -18.111 31 HB2 PRO 6 HB2 PRO 6 15.806 -54.115 -17.747 32 HB3 PRO 6 HB3 PRO 6 14.759 -53.409 -16.506 33 HG2 PRO 6 HG2 PRO 6 14.884 -56.154 -17.494 34 HG3 PRO 6 HG3 PRO 6 14.190 -55.523 -15.994 35 HD2 PRO 6 HD2 PRO 6 12.667 -56.474 -18.064 36 HD3 PRO 6 HD3 PRO 6 12.098 -55.227 -16.931 37 H LEU 7 H LEU 7 14.385 -51.160 -19.483 38 HA LEU 7 HA LEU 7 15.296 -52.032 -22.061 39 HB2 LEU 7 HB2 LEU 7 15.644 -49.302 -20.805 40 HB3 LEU 7 HB3 LEU 7 15.649 -49.700 -22.524 41 HG LEU 7 HG LEU 7 13.292 -50.027 -20.644 42 HD11 LEU 7 HD11 LEU 7 14.268 -47.817 -22.277 43 HD12 LEU 7 HD12 LEU 7 12.970 -47.836 -21.084 44 HD13 LEU 7 HD13 LEU 7 12.643 -48.310 -22.751 45 HD21 LEU 7 HD21 LEU 7 12.978 -51.692 -22.255 46 HD22 LEU 7 HD22 LEU 7 13.809 -50.772 -23.511 47 HD23 LEU 7 HD23 LEU 7 12.180 -50.315 -23.015 48 H LYS 8 H LYS 8 17.183 -53.058 -22.272 49 HA LYS 8 HA LYS 8 19.399 -52.539 -20.471 50 HB2 LYS 8 HB2 LYS 8 20.364 -54.167 -22.484 51 HB3 LYS 8 HB3 LYS 8 19.658 -54.722 -20.966 52 HG2 LYS 8 HG2 LYS 8 17.459 -54.879 -21.980 53 HG3 LYS 8 HG3 LYS 8 18.054 -54.157 -23.475 54 HD2 LYS 8 HD2 LYS 8 18.888 -56.125 -24.210 55 HD3 LYS 8 HD3 LYS 8 19.632 -56.479 -22.650 56 HE2 LYS 8 HE2 LYS 8 17.856 -58.127 -23.285 57 HE3 LYS 8 HE3 LYS 8 17.516 -57.292 -21.769 58 HZ1 LYS 8 HZ1 LYS 8 15.880 -57.430 -23.966 59 HZ2 LYS 8 HZ2 LYS 8 16.507 -55.852 -24.008 60 HZ3 LYS 8 HZ3 LYS 8 15.688 -56.407 -22.627 61 HN1 NH2 9 HN1 NH2 9 19.695 -52.860 -24.026 62 HN2 NH2 9 HN2 NH2 9 20.579 -51.425 -24.231 63 H1 A2G 10 H1 A2G 10 6.657 -55.653 -18.771 64 H2 A2G 10 H2 A2G 10 7.105 -57.984 -18.138 65 HN2 A2G 10 HN2 A2G 10 4.939 -57.725 -20.140 66 H3 A2G 10 H3 A2G 10 4.112 -58.183 -17.710 67 HO3 A2G 10 HO3 A2G 10 6.002 -60.072 -16.903 68 H4 A2G 10 H4 A2G 10 4.626 -58.415 -15.346 69 HO4 A2G 10 HO4 A2G 10 7.053 -58.919 -16.299 70 H5 A2G 10 H5 A2G 10 4.318 -56.119 -16.160 71 H6 A2G 10 H6 A2G 10 6.675 -56.253 -14.253 72 H8 A2G 10 H8 A2G 10 5.398 -59.531 -22.003 73 H8A A2G 10 H8A A2G 10 7.084 -59.356 -22.492 74 H8B A2G 10 H8B A2G 10 6.036 -57.940 -22.420 75 H14 A2G 10 H14 A2G 10 5.505 -54.941 -14.389 76 H15 A2G 10 H15 A2G 10 3.943 -56.225 -13.562 77 H1 A2G 11 H1 A2G 11 10.479 -52.124 -21.188 78 H2 A2G 11 H2 A2G 11 10.984 -49.918 -20.232 79 HN2 A2G 11 HN2 A2G 11 9.016 -51.447 -18.635 80 H3 A2G 11 H3 A2G 11 7.978 -49.560 -20.107 81 HO3 A2G 11 HO3 A2G 11 9.122 -48.543 -18.445 82 H4 A2G 11 H4 A2G 11 8.270 -47.858 -21.815 83 HO4 A2G 11 HO4 A2G 11 10.987 -48.638 -21.915 84 H5 A2G 11 H5 A2G 11 7.923 -50.149 -22.626 85 H6 A2G 11 H6 A2G 11 8.813 -49.877 -24.858 86 H8 A2G 11 H8 A2G 11 9.993 -52.502 -16.760 87 H8A A2G 11 H8A A2G 11 9.915 -50.913 -16.000 88 H8B A2G 11 H8B A2G 11 11.451 -51.775 -16.084 89 H14 A2G 11 H14 A2G 11 8.425 -48.269 -24.247 90 H15 A2G 11 H15 A2G 11 10.984 -49.474 -24.098 Start of MODEL 6 1 H1 ACE 1 H1 ACE 1 -1.354 -50.752 -19.086 2 H2 ACE 1 H2 ACE 1 -1.983 -51.199 -20.673 3 H3 ACE 1 H3 ACE 1 -0.815 -49.886 -20.524 4 HA PRO 2 HA PRO 2 1.024 -54.252 -21.561 5 HB2 PRO 2 HB2 PRO 2 2.490 -52.863 -23.615 6 HB3 PRO 2 HB3 PRO 2 1.271 -54.132 -23.809 7 HG2 PRO 2 HG2 PRO 2 1.008 -51.240 -24.107 8 HG3 PRO 2 HG3 PRO 2 -0.035 -52.537 -24.706 9 HD2 PRO 2 HD2 PRO 2 -0.762 -50.850 -22.674 10 HD3 PRO 2 HD3 PRO 2 -1.370 -52.516 -22.819 11 H THR 3 H THR 3 2.744 -54.734 -20.330 12 HA THR 3 HA THR 3 4.575 -52.587 -19.524 13 HB THR 3 HB THR 3 5.295 -54.112 -17.767 14 HG21 THR 3 HG21 THR 3 2.403 -54.662 -17.624 15 HG22 THR 3 HG22 THR 3 2.802 -52.976 -17.957 16 HG23 THR 3 HG23 THR 3 3.433 -53.764 -16.510 17 H THR 4 H THR 4 6.917 -53.479 -19.139 18 HA THR 4 HA THR 4 7.756 -55.154 -21.414 19 HB THR 4 HB THR 4 9.574 -53.578 -21.931 20 HG21 THR 4 HG21 THR 4 7.130 -51.854 -21.897 21 HG22 THR 4 HG22 THR 4 7.062 -53.377 -22.785 22 HG23 THR 4 HG23 THR 4 8.266 -52.160 -23.211 23 H THR 5 H THR 5 9.862 -56.102 -21.157 24 HA THR 5 HA THR 5 10.422 -56.771 -18.392 25 HB THR 5 HB THR 5 10.889 -58.699 -19.454 26 HG1 THR 5 HG1 THR 5 13.092 -57.471 -20.690 27 HG21 THR 5 HG21 THR 5 11.202 -57.031 -21.964 28 HG22 THR 5 HG22 THR 5 9.775 -57.948 -21.479 29 HG23 THR 5 HG23 THR 5 11.257 -58.794 -21.927 30 HA PRO 6 HA PRO 6 13.753 -54.179 -17.290 31 HB2 PRO 6 HB2 PRO 6 15.786 -56.214 -17.137 32 HB3 PRO 6 HB3 PRO 6 14.898 -55.452 -15.809 33 HG2 PRO 6 HG2 PRO 6 14.483 -58.050 -17.076 34 HG3 PRO 6 HG3 PRO 6 13.925 -57.456 -15.506 35 HD2 PRO 6 HD2 PRO 6 12.249 -57.870 -17.631 36 HD3 PRO 6 HD3 PRO 6 11.933 -56.662 -16.366 37 H LEU 7 H LEU 7 14.135 -52.978 -19.142 38 HA LEU 7 HA LEU 7 16.566 -53.513 -20.565 39 HB2 LEU 7 HB2 LEU 7 14.641 -54.936 -21.664 40 HB3 LEU 7 HB3 LEU 7 14.187 -53.387 -22.378 41 HG LEU 7 HG LEU 7 16.803 -53.273 -22.888 42 HD11 LEU 7 HD11 LEU 7 17.270 -55.420 -21.741 43 HD12 LEU 7 HD12 LEU 7 17.672 -55.503 -23.456 44 HD13 LEU 7 HD13 LEU 7 16.186 -56.244 -22.862 45 HD21 LEU 7 HD21 LEU 7 15.344 -53.095 -24.714 46 HD22 LEU 7 HD22 LEU 7 14.574 -54.644 -24.373 47 HD23 LEU 7 HD23 LEU 7 16.194 -54.599 -25.069 48 H LYS 8 H LYS 8 15.537 -51.975 -22.917 49 HA LYS 8 HA LYS 8 14.747 -49.403 -21.835 50 HB2 LYS 8 HB2 LYS 8 16.784 -48.279 -22.858 51 HB3 LYS 8 HB3 LYS 8 17.079 -49.193 -21.378 52 HG2 LYS 8 HG2 LYS 8 18.039 -51.012 -22.561 53 HG3 LYS 8 HG3 LYS 8 17.406 -50.445 -24.107 54 HD2 LYS 8 HD2 LYS 8 19.022 -48.803 -24.326 55 HD3 LYS 8 HD3 LYS 8 19.241 -48.638 -22.583 56 HE2 LYS 8 HE2 LYS 8 20.424 -50.765 -22.485 57 HE3 LYS 8 HE3 LYS 8 20.113 -51.052 -24.197 58 HZ1 LYS 8 HZ1 LYS 8 21.905 -49.883 -24.701 59 HZ2 LYS 8 HZ2 LYS 8 22.234 -49.657 -23.049 60 HZ3 LYS 8 HZ3 LYS 8 21.292 -48.523 -23.894 61 HN1 NH2 9 HN1 NH2 9 16.173 -49.499 -25.432 62 HN2 NH2 9 HN2 NH2 9 15.510 -48.051 -24.846 63 H1 A2G 10 H1 A2G 10 6.351 -55.962 -18.745 64 H2 A2G 10 H2 A2G 10 6.308 -58.396 -18.408 65 HN2 A2G 10 HN2 A2G 10 4.333 -57.549 -20.446 66 H3 A2G 10 H3 A2G 10 3.307 -58.057 -18.153 67 HO3 A2G 10 HO3 A2G 10 5.080 -60.196 -18.373 68 H4 A2G 10 H4 A2G 10 3.596 -58.672 -15.820 69 HO4 A2G 10 HO4 A2G 10 5.686 -58.969 -14.999 70 H5 A2G 10 H5 A2G 10 3.783 -56.280 -16.333 71 H6 A2G 10 H6 A2G 10 6.050 -56.699 -14.430 72 H8 A2G 10 H8 A2G 10 5.019 -59.389 -22.618 73 H8A A2G 10 H8A A2G 10 6.563 -58.602 -22.945 74 H8B A2G 10 H8B A2G 10 5.134 -57.630 -22.596 75 H14 A2G 10 H14 A2G 10 4.630 -55.665 -14.270 76 H15 A2G 10 H15 A2G 10 4.823 -58.464 -13.944 77 H1 A2G 11 H1 A2G 11 11.005 -52.876 -20.401 78 H2 A2G 11 H2 A2G 11 11.807 -50.860 -19.249 79 HN2 A2G 11 HN2 A2G 11 9.481 -52.102 -17.901 80 H3 A2G 11 H3 A2G 11 8.907 -49.981 -19.294 81 HO3 A2G 11 HO3 A2G 11 9.564 -48.669 -17.821 82 H4 A2G 11 H4 A2G 11 9.622 -48.253 -20.845 83 HO4 A2G 11 HO4 A2G 11 11.897 -48.511 -19.860 84 H5 A2G 11 H5 A2G 11 8.949 -50.389 -21.850 85 H6 A2G 11 H6 A2G 11 10.008 -50.119 -23.991 86 H8 A2G 11 H8 A2G 11 10.103 -53.440 -16.059 87 H8A A2G 11 H8A A2G 11 10.274 -51.921 -15.182 88 H8B A2G 11 H8B A2G 11 11.621 -53.057 -15.247 89 H14 A2G 11 H14 A2G 11 9.927 -48.512 -23.270 90 H15 A2G 11 H15 A2G 11 12.150 -49.534 -22.404 Start of MODEL 7 1 H1 ACE 1 H1 ACE 1 -1.387 -51.582 -18.491 2 H2 ACE 1 H2 ACE 1 -2.101 -52.025 -20.041 3 H3 ACE 1 H3 ACE 1 -1.062 -50.604 -19.921 4 HA PRO 2 HA PRO 2 1.109 -54.710 -21.322 5 HB2 PRO 2 HB2 PRO 2 2.243 -53.092 -23.417 6 HB3 PRO 2 HB3 PRO 2 1.147 -54.473 -23.573 7 HG2 PRO 2 HG2 PRO 2 0.569 -51.613 -23.705 8 HG3 PRO 2 HG3 PRO 2 -0.386 -52.988 -24.280 9 HD2 PRO 2 HD2 PRO 2 -1.100 -51.470 -22.114 10 HD3 PRO 2 HD3 PRO 2 -1.548 -53.182 -22.292 11 H THR 3 H THR 3 2.859 -54.993 -20.072 12 HA THR 3 HA THR 3 4.610 -52.711 -19.484 13 HB THR 3 HB THR 3 5.501 -54.093 -17.690 14 HG21 THR 3 HG21 THR 3 2.832 -53.231 -17.902 15 HG22 THR 3 HG22 THR 3 3.711 -53.591 -16.417 16 HG23 THR 3 HG23 THR 3 2.747 -54.846 -17.197 17 H THR 4 H THR 4 7.013 -53.443 -19.193 18 HA THR 4 HA THR 4 7.823 -55.206 -21.410 19 HB THR 4 HB THR 4 9.719 -53.354 -21.682 20 HG21 THR 4 HG21 THR 4 8.192 -54.141 -23.457 21 HG22 THR 4 HG22 THR 4 8.379 -52.389 -23.515 22 HG23 THR 4 HG23 THR 4 6.920 -53.097 -22.823 23 H THR 5 H THR 5 10.044 -55.949 -21.241 24 HA THR 5 HA THR 5 10.770 -56.476 -18.484 25 HB THR 5 HB THR 5 11.368 -58.392 -19.499 26 HG1 THR 5 HG1 THR 5 13.429 -58.342 -20.468 27 HG21 THR 5 HG21 THR 5 11.409 -56.804 -22.080 28 HG22 THR 5 HG22 THR 5 10.089 -57.812 -21.485 29 HG23 THR 5 HG23 THR 5 11.610 -58.554 -21.981 30 HA PRO 6 HA PRO 6 13.916 -53.582 -17.608 31 HB2 PRO 6 HB2 PRO 6 16.120 -55.433 -17.494 32 HB3 PRO 6 HB3 PRO 6 15.229 -54.707 -16.148 33 HG2 PRO 6 HG2 PRO 6 14.983 -57.369 -17.322 34 HG3 PRO 6 HG3 PRO 6 14.445 -56.775 -15.745 35 HD2 PRO 6 HD2 PRO 6 12.719 -57.395 -17.779 36 HD3 PRO 6 HD3 PRO 6 12.357 -56.180 -16.533 37 H LEU 7 H LEU 7 14.297 -52.318 -19.371 38 HA LEU 7 HA LEU 7 15.482 -53.309 -21.790 39 HB2 LEU 7 HB2 LEU 7 14.929 -50.501 -20.809 40 HB3 LEU 7 HB3 LEU 7 15.538 -50.885 -22.420 41 HG LEU 7 HG LEU 7 13.112 -52.348 -21.483 42 HD11 LEU 7 HD11 LEU 7 13.253 -49.408 -22.090 43 HD12 LEU 7 HD12 LEU 7 12.308 -50.243 -20.857 44 HD13 LEU 7 HD13 LEU 7 11.820 -50.327 -22.550 45 HD21 LEU 7 HD21 LEU 7 14.182 -52.787 -23.679 46 HD22 LEU 7 HD22 LEU 7 13.935 -51.098 -24.124 47 HD23 LEU 7 HD23 LEU 7 12.546 -52.155 -23.870 48 H LYS 8 H LYS 8 17.286 -51.388 -22.532 49 HA LYS 8 HA LYS 8 19.364 -51.144 -20.523 50 HB2 LYS 8 HB2 LYS 8 21.037 -52.422 -21.775 51 HB3 LYS 8 HB3 LYS 8 19.686 -53.460 -21.317 52 HG2 LYS 8 HG2 LYS 8 18.729 -52.721 -23.669 53 HG3 LYS 8 HG3 LYS 8 20.428 -52.401 -24.022 54 HD2 LYS 8 HD2 LYS 8 20.336 -54.624 -24.636 55 HD3 LYS 8 HD3 LYS 8 20.728 -54.817 -22.927 56 HE2 LYS 8 HE2 LYS 8 18.249 -54.942 -22.460 57 HE3 LYS 8 HE3 LYS 8 17.987 -54.989 -24.203 58 HZ1 LYS 8 HZ1 LYS 8 19.641 -56.915 -24.157 59 HZ2 LYS 8 HZ2 LYS 8 18.068 -57.209 -23.587 60 HZ3 LYS 8 HZ3 LYS 8 19.343 -56.973 -22.489 61 HN1 NH2 9 HN1 NH2 9 18.221 -48.932 -21.764 62 HN2 NH2 9 HN2 NH2 9 18.800 -48.624 -23.330 63 H1 A2G 10 H1 A2G 10 6.614 -55.902 -18.599 64 H2 A2G 10 H2 A2G 10 6.746 -58.328 -18.232 65 HN2 A2G 10 HN2 A2G 10 4.659 -57.614 -20.208 66 H3 A2G 10 H3 A2G 10 3.741 -58.187 -17.866 67 HO3 A2G 10 HO3 A2G 10 5.665 -60.254 -17.878 68 H4 A2G 10 H4 A2G 10 4.160 -58.748 -15.539 69 HO4 A2G 10 HO4 A2G 10 6.415 -58.702 -14.858 70 H5 A2G 10 H5 A2G 10 4.165 -56.354 -16.088 71 H6 A2G 10 H6 A2G 10 6.523 -56.645 -14.259 72 H8 A2G 10 H8 A2G 10 5.261 -59.485 -22.328 73 H8A A2G 10 H8A A2G 10 6.803 -58.750 -22.765 74 H8B A2G 10 H8B A2G 10 5.411 -57.729 -22.402 75 H14 A2G 10 H14 A2G 10 5.090 -55.634 -14.079 76 H15 A2G 10 H15 A2G 10 3.906 -57.412 -13.523 77 H1 A2G 11 H1 A2G 11 10.297 -51.425 -21.130 78 H2 A2G 11 H2 A2G 11 9.876 -49.149 -20.306 79 HN2 A2G 11 HN2 A2G 11 8.800 -51.200 -18.460 80 H3 A2G 11 H3 A2G 11 7.016 -50.079 -19.934 81 HO3 A2G 11 HO3 A2G 11 7.341 -48.558 -18.465 82 H4 A2G 11 H4 A2G 11 6.451 -48.537 -21.726 83 HO4 A2G 11 HO4 A2G 11 9.245 -48.072 -21.860 84 H5 A2G 11 H5 A2G 11 7.060 -50.814 -22.416 85 H6 A2G 11 H6 A2G 11 7.616 -50.352 -24.725 86 H8 A2G 11 H8 A2G 11 10.237 -51.689 -16.671 87 H8A A2G 11 H8A A2G 11 9.726 -50.155 -15.966 88 H8B A2G 11 H8B A2G 11 11.441 -50.481 -16.222 89 H14 A2G 11 H14 A2G 11 6.613 -49.021 -24.147 90 H15 A2G 11 H15 A2G 11 8.977 -48.269 -23.541 Start of MODEL 8 1 H1 ACE 1 H1 ACE 1 -2.553 -51.321 -18.590 2 H2 ACE 1 H2 ACE 1 -1.401 -49.994 -18.445 3 H3 ACE 1 H3 ACE 1 -1.739 -51.024 -17.054 4 HA PRO 2 HA PRO 2 0.376 -54.164 -20.168 5 HB2 PRO 2 HB2 PRO 2 1.546 -52.518 -22.222 6 HB3 PRO 2 HB3 PRO 2 0.338 -53.798 -22.401 7 HG2 PRO 2 HG2 PRO 2 -0.015 -50.901 -22.349 8 HG3 PRO 2 HG3 PRO 2 -1.100 -52.160 -22.953 9 HD2 PRO 2 HD2 PRO 2 -1.600 -50.723 -20.676 10 HD3 PRO 2 HD3 PRO 2 -2.188 -52.382 -20.927 11 H THR 3 H THR 3 2.749 -54.517 -20.564 12 HA THR 3 HA THR 3 4.488 -52.464 -19.388 13 HB THR 3 HB THR 3 5.500 -54.065 -17.843 14 HG21 THR 3 HG21 THR 3 2.543 -54.357 -17.397 15 HG22 THR 3 HG22 THR 3 3.280 -52.756 -17.344 16 HG23 THR 3 HG23 THR 3 3.814 -54.010 -16.224 17 H THR 4 H THR 4 6.853 -53.531 -19.368 18 HA THR 4 HA THR 4 7.252 -55.015 -21.881 19 HB THR 4 HB THR 4 9.133 -53.484 -22.453 20 HG21 THR 4 HG21 THR 4 7.765 -51.852 -23.453 21 HG22 THR 4 HG22 THR 4 6.642 -51.831 -22.093 22 HG23 THR 4 HG23 THR 4 6.655 -53.201 -23.204 23 H THR 5 H THR 5 9.488 -55.878 -22.061 24 HA THR 5 HA THR 5 10.285 -57.036 -19.526 25 HB THR 5 HB THR 5 11.183 -58.684 -20.784 26 HG1 THR 5 HG1 THR 5 12.471 -58.134 -22.669 27 HG21 THR 5 HG21 THR 5 10.025 -57.213 -23.157 28 HG22 THR 5 HG22 THR 5 9.018 -58.029 -21.961 29 HG23 THR 5 HG23 THR 5 10.167 -58.956 -22.927 30 HA PRO 6 HA PRO 6 13.818 -54.548 -18.740 31 HB2 PRO 6 HB2 PRO 6 15.675 -56.704 -18.280 32 HB3 PRO 6 HB3 PRO 6 14.774 -55.758 -17.084 33 HG2 PRO 6 HG2 PRO 6 14.373 -58.432 -17.650 34 HG3 PRO 6 HG3 PRO 6 13.226 -57.370 -16.825 35 HD2 PRO 6 HD2 PRO 6 13.205 -58.330 -19.647 36 HD3 PRO 6 HD3 PRO 6 11.843 -57.902 -18.586 37 H LEU 7 H LEU 7 14.808 -53.428 -20.322 38 HA LEU 7 HA LEU 7 17.043 -54.533 -21.738 39 HB2 LEU 7 HB2 LEU 7 14.948 -55.347 -23.007 40 HB3 LEU 7 HB3 LEU 7 14.766 -53.665 -23.505 41 HG LEU 7 HG LEU 7 17.385 -53.990 -24.048 42 HD11 LEU 7 HD11 LEU 7 17.824 -56.197 -24.930 43 HD12 LEU 7 HD12 LEU 7 16.159 -56.700 -24.635 44 HD13 LEU 7 HD13 LEU 7 17.241 -56.391 -23.277 45 HD21 LEU 7 HD21 LEU 7 15.065 -54.842 -25.812 46 HD22 LEU 7 HD22 LEU 7 16.681 -54.441 -26.395 47 HD23 LEU 7 HD23 LEU 7 15.686 -53.201 -25.632 48 H LYS 8 H LYS 8 18.030 -52.732 -20.720 49 HA LYS 8 HA LYS 8 17.860 -50.298 -22.288 50 HB2 LYS 8 HB2 LYS 8 16.152 -50.291 -20.250 51 HB3 LYS 8 HB3 LYS 8 17.605 -49.865 -19.346 52 HG2 LYS 8 HG2 LYS 8 16.537 -48.417 -21.789 53 HG3 LYS 8 HG3 LYS 8 16.481 -47.830 -20.126 54 HD2 LYS 8 HD2 LYS 8 19.044 -48.106 -20.131 55 HD3 LYS 8 HD3 LYS 8 18.901 -48.232 -21.885 56 HE2 LYS 8 HE2 LYS 8 17.957 -45.914 -20.173 57 HE3 LYS 8 HE3 LYS 8 19.338 -45.907 -21.271 58 HZ1 LYS 8 HZ1 LYS 8 17.545 -46.653 -22.983 59 HZ2 LYS 8 HZ2 LYS 8 17.722 -45.010 -22.589 60 HZ3 LYS 8 HZ3 LYS 8 16.471 -45.924 -21.891 61 HN1 NH2 9 HN1 NH2 9 20.026 -51.915 -19.536 62 HN2 NH2 9 HN2 NH2 9 19.918 -50.311 -18.990 63 H1 A2G 10 H1 A2G 10 6.340 -55.901 -18.907 64 H2 A2G 10 H2 A2G 10 6.257 -58.351 -18.721 65 HN2 A2G 10 HN2 A2G 10 4.146 -57.250 -20.483 66 H3 A2G 10 H3 A2G 10 3.314 -57.957 -18.113 67 HO3 A2G 10 HO3 A2G 10 4.053 -59.866 -19.283 68 H4 A2G 10 H4 A2G 10 3.838 -58.731 -15.870 69 HO4 A2G 10 HO4 A2G 10 6.207 -59.350 -17.099 70 H5 A2G 10 H5 A2G 10 4.042 -56.314 -16.250 71 H6 A2G 10 H6 A2G 10 6.382 -57.286 -14.582 72 H8 A2G 10 H8 A2G 10 4.151 -58.771 -22.688 73 H8A A2G 10 H8A A2G 10 5.826 -58.782 -23.239 74 H8B A2G 10 H8B A2G 10 5.048 -57.258 -22.812 75 H14 A2G 10 H14 A2G 10 5.492 -55.776 -14.383 76 H15 A2G 10 H15 A2G 10 4.897 -57.591 -12.968 77 H1 A2G 11 H1 A2G 11 10.715 -52.707 -21.255 78 H2 A2G 11 H2 A2G 11 11.613 -50.824 -19.956 79 HN2 A2G 11 HN2 A2G 11 9.632 -52.362 -18.382 80 H3 A2G 11 H3 A2G 11 8.714 -50.183 -19.349 81 HO3 A2G 11 HO3 A2G 11 11.190 -49.355 -18.408 82 H4 A2G 11 H4 A2G 11 9.038 -48.193 -20.708 83 HO4 A2G 11 HO4 A2G 11 11.363 -48.156 -20.212 84 H5 A2G 11 H5 A2G 11 8.301 -50.206 -21.904 85 H6 A2G 11 H6 A2G 11 8.792 -49.462 -24.085 86 H8 A2G 11 H8 A2G 11 10.578 -54.004 -17.041 87 H8A A2G 11 H8A A2G 11 11.126 -52.744 -15.935 88 H8B A2G 11 H8B A2G 11 12.288 -53.875 -16.629 89 H14 A2G 11 H14 A2G 11 9.043 -48.013 -23.111 90 H15 A2G 11 H15 A2G 11 11.055 -48.048 -23.649 Start of MODEL 9 1 H1 ACE 1 H1 ACE 1 -2.038 -51.673 -19.104 2 H2 ACE 1 H2 ACE 1 -0.926 -50.348 -19.448 3 H3 ACE 1 H3 ACE 1 -1.131 -50.921 -17.792 4 HA PRO 2 HA PRO 2 0.872 -54.821 -19.983 5 HB2 PRO 2 HB2 PRO 2 1.830 -53.855 -22.521 6 HB3 PRO 2 HB3 PRO 2 0.660 -55.146 -22.213 7 HG2 PRO 2 HG2 PRO 2 0.205 -52.372 -23.002 8 HG3 PRO 2 HG3 PRO 2 -0.874 -53.770 -23.113 9 HD2 PRO 2 HD2 PRO 2 -1.260 -51.719 -21.338 10 HD3 PRO 2 HD3 PRO 2 -1.804 -53.386 -21.034 11 H THR 3 H THR 3 2.957 -55.191 -19.399 12 HA THR 3 HA THR 3 4.718 -52.860 -19.109 13 HB THR 3 HB THR 3 6.002 -54.248 -17.580 14 HG21 THR 3 HG21 THR 3 4.493 -53.986 -15.913 15 HG22 THR 3 HG22 THR 3 3.355 -55.106 -16.660 16 HG23 THR 3 HG23 THR 3 3.392 -53.419 -17.168 17 H THR 4 H THR 4 6.869 -52.870 -19.856 18 HA THR 4 HA THR 4 7.298 -54.632 -22.180 19 HB THR 4 HB THR 4 9.231 -52.785 -22.443 20 HG21 THR 4 HG21 THR 4 7.458 -53.292 -24.084 21 HG22 THR 4 HG22 THR 4 7.668 -51.551 -23.900 22 HG23 THR 4 HG23 THR 4 6.307 -52.362 -23.126 23 H THR 5 H THR 5 9.588 -55.263 -22.598 24 HA THR 5 HA THR 5 10.709 -56.440 -20.196 25 HB THR 5 HB THR 5 12.462 -57.150 -22.097 26 HG1 THR 5 HG1 THR 5 10.078 -56.908 -23.564 27 HG21 THR 5 HG21 THR 5 10.671 -58.993 -22.654 28 HG22 THR 5 HG22 THR 5 9.739 -58.191 -21.390 29 HG23 THR 5 HG23 THR 5 11.324 -58.873 -21.020 30 HA PRO 6 HA PRO 6 13.870 -53.660 -19.049 31 HB2 PRO 6 HB2 PRO 6 16.076 -55.453 -19.511 32 HB3 PRO 6 HB3 PRO 6 15.318 -55.026 -17.970 33 HG2 PRO 6 HG2 PRO 6 14.961 -57.406 -19.622 34 HG3 PRO 6 HG3 PRO 6 14.577 -57.147 -17.915 35 HD2 PRO 6 HD2 PRO 6 12.663 -57.386 -19.861 36 HD3 PRO 6 HD3 PRO 6 12.422 -56.448 -18.370 37 H LEU 7 H LEU 7 14.893 -52.059 -20.128 38 HA LEU 7 HA LEU 7 15.231 -52.226 -22.974 39 HB2 LEU 7 HB2 LEU 7 15.772 -50.119 -20.896 40 HB3 LEU 7 HB3 LEU 7 16.330 -49.913 -22.556 41 HG LEU 7 HG LEU 7 14.053 -48.924 -22.101 42 HD11 LEU 7 HD11 LEU 7 13.587 -49.275 -24.287 43 HD12 LEU 7 HD12 LEU 7 13.400 -51.012 -24.044 44 HD13 LEU 7 HD13 LEU 7 15.004 -50.325 -24.305 45 HD21 LEU 7 HD21 LEU 7 13.433 -50.897 -20.570 46 HD22 LEU 7 HD22 LEU 7 13.124 -51.801 -22.052 47 HD23 LEU 7 HD23 LEU 7 12.189 -50.350 -21.694 48 H LYS 8 H LYS 8 16.866 -54.010 -21.194 49 HA LYS 8 HA LYS 8 19.377 -53.641 -22.596 50 HB2 LYS 8 HB2 LYS 8 20.715 -53.721 -20.475 51 HB3 LYS 8 HB3 LYS 8 19.816 -52.219 -20.697 52 HG2 LYS 8 HG2 LYS 8 17.994 -53.142 -19.262 53 HG3 LYS 8 HG3 LYS 8 18.985 -54.571 -18.973 54 HD2 LYS 8 HD2 LYS 8 19.618 -53.320 -17.143 55 HD3 LYS 8 HD3 LYS 8 20.792 -52.715 -18.312 56 HE2 LYS 8 HE2 LYS 8 19.251 -50.846 -18.861 57 HE3 LYS 8 HE3 LYS 8 18.130 -51.431 -17.633 58 HZ1 LYS 8 HZ1 LYS 8 20.308 -51.306 -16.178 59 HZ2 LYS 8 HZ2 LYS 8 19.299 -49.956 -16.396 60 HZ3 LYS 8 HZ3 LYS 8 20.719 -50.116 -17.315 61 HN1 NH2 9 HN1 NH2 9 20.258 -56.095 -20.140 62 HN2 NH2 9 HN2 NH2 9 20.731 -56.367 -21.748 63 H1 A2G 10 H1 A2G 10 6.983 -55.992 -18.745 64 H2 A2G 10 H2 A2G 10 7.277 -58.415 -18.464 65 HN2 A2G 10 HN2 A2G 10 4.785 -57.846 -19.958 66 H3 A2G 10 H3 A2G 10 4.398 -58.403 -17.515 67 HO3 A2G 10 HO3 A2G 10 4.545 -60.442 -17.899 68 H4 A2G 10 H4 A2G 10 5.284 -58.978 -15.327 69 HO4 A2G 10 HO4 A2G 10 7.117 -60.029 -15.600 70 H5 A2G 10 H5 A2G 10 5.092 -56.579 -15.815 71 H6 A2G 10 H6 A2G 10 7.760 -56.653 -14.506 72 H8 A2G 10 H8 A2G 10 5.188 -59.506 -22.287 73 H8A A2G 10 H8A A2G 10 6.501 -58.538 -22.958 74 H8B A2G 10 H8B A2G 10 5.089 -57.745 -22.258 75 H14 A2G 10 H14 A2G 10 6.254 -55.924 -13.948 76 H15 A2G 10 H15 A2G 10 7.304 -58.298 -13.320 77 H1 A2G 11 H1 A2G 11 9.920 -50.959 -21.700 78 H2 A2G 11 H2 A2G 11 9.668 -48.834 -20.492 79 HN2 A2G 11 HN2 A2G 11 8.812 -51.130 -18.827 80 H3 A2G 11 H3 A2G 11 6.871 -49.816 -19.856 81 HO3 A2G 11 HO3 A2G 11 6.837 -47.518 -19.134 82 H4 A2G 11 H4 A2G 11 6.088 -48.021 -21.296 83 HO4 A2G 11 HO4 A2G 11 7.793 -46.948 -22.569 84 H5 A2G 11 H5 A2G 11 6.546 -50.166 -22.399 85 H6 A2G 11 H6 A2G 11 6.594 -49.369 -24.622 86 H8 A2G 11 H8 A2G 11 10.478 -51.939 -17.429 87 H8A A2G 11 H8A A2G 11 10.244 -50.536 -16.386 88 H8B A2G 11 H8B A2G 11 11.841 -50.889 -17.044 89 H14 A2G 11 H14 A2G 11 5.994 -47.985 -23.708 90 H15 A2G 11 H15 A2G 11 8.589 -48.452 -24.712 Start of MODEL 10 1 H1 ACE 1 H1 ACE 1 -2.440 -51.891 -18.738 2 H2 ACE 1 H2 ACE 1 -1.427 -50.499 -18.362 3 H3 ACE 1 H3 ACE 1 -1.658 -51.771 -17.163 4 HA PRO 2 HA PRO 2 0.756 -54.133 -20.716 5 HB2 PRO 2 HB2 PRO 2 1.755 -52.064 -22.454 6 HB3 PRO 2 HB3 PRO 2 0.679 -53.410 -22.860 7 HG2 PRO 2 HG2 PRO 2 0.040 -50.609 -22.338 8 HG3 PRO 2 HG3 PRO 2 -0.915 -51.853 -23.158 9 HD2 PRO 2 HD2 PRO 2 -1.553 -50.866 -20.683 10 HD3 PRO 2 HD3 PRO 2 -1.973 -52.511 -21.212 11 H THR 3 H THR 3 3.057 -54.409 -20.798 12 HA THR 3 HA THR 3 4.697 -52.301 -19.580 13 HB THR 3 HB THR 3 5.677 -53.902 -17.975 14 HG21 THR 3 HG21 THR 3 3.980 -53.685 -16.393 15 HG22 THR 3 HG22 THR 3 2.710 -54.066 -17.557 16 HG23 THR 3 HG23 THR 3 3.487 -52.483 -17.586 17 H THR 4 H THR 4 7.069 -53.408 -19.366 18 HA THR 4 HA THR 4 7.621 -54.885 -21.855 19 HB THR 4 HB THR 4 9.467 -53.386 -22.400 20 HG21 THR 4 HG21 THR 4 6.894 -52.855 -22.877 21 HG22 THR 4 HG22 THR 4 8.166 -51.724 -23.337 22 HG23 THR 4 HG23 THR 4 7.247 -51.464 -21.854 23 H THR 5 H THR 5 9.568 -56.087 -21.835 24 HA THR 5 HA THR 5 10.335 -56.982 -19.186 25 HB THR 5 HB THR 5 10.478 -58.881 -20.383 26 HG1 THR 5 HG1 THR 5 12.464 -59.250 -21.132 27 HG21 THR 5 HG21 THR 5 10.541 -58.868 -22.881 28 HG22 THR 5 HG22 THR 5 10.687 -57.111 -22.833 29 HG23 THR 5 HG23 THR 5 9.229 -57.893 -22.222 30 HA PRO 6 HA PRO 6 14.035 -54.836 -18.331 31 HB2 PRO 6 HB2 PRO 6 15.831 -57.080 -18.509 32 HB3 PRO 6 HB3 PRO 6 15.178 -56.313 -17.053 33 HG2 PRO 6 HG2 PRO 6 14.344 -58.767 -18.399 34 HG3 PRO 6 HG3 PRO 6 14.024 -58.218 -16.747 35 HD2 PRO 6 HD2 PRO 6 12.096 -58.316 -18.692 36 HD3 PRO 6 HD3 PRO 6 12.054 -57.163 -17.338 37 H LEU 7 H LEU 7 14.348 -53.568 -20.153 38 HA LEU 7 HA LEU 7 16.543 -54.264 -21.861 39 HB2 LEU 7 HB2 LEU 7 13.897 -54.945 -22.747 40 HB3 LEU 7 HB3 LEU 7 14.545 -53.664 -23.771 41 HG LEU 7 HG LEU 7 16.044 -56.205 -23.074 42 HD11 LEU 7 HD11 LEU 7 14.106 -55.529 -25.227 43 HD12 LEU 7 HD12 LEU 7 14.499 -57.095 -24.517 44 HD13 LEU 7 HD13 LEU 7 15.565 -56.384 -25.728 45 HD21 LEU 7 HD21 LEU 7 16.867 -53.702 -24.132 46 HD22 LEU 7 HD22 LEU 7 16.869 -54.843 -25.477 47 HD23 LEU 7 HD23 LEU 7 17.814 -55.186 -24.028 48 H LYS 8 H LYS 8 17.497 -52.343 -21.353 49 HA LYS 8 HA LYS 8 16.422 -49.970 -22.627 50 HB2 LYS 8 HB2 LYS 8 15.653 -50.328 -20.040 51 HB3 LYS 8 HB3 LYS 8 17.159 -49.434 -19.821 52 HG2 LYS 8 HG2 LYS 8 14.916 -48.583 -21.676 53 HG3 LYS 8 HG3 LYS 8 15.170 -47.936 -20.054 54 HD2 LYS 8 HD2 LYS 8 17.453 -47.211 -20.733 55 HD3 LYS 8 HD3 LYS 8 17.122 -47.779 -22.370 56 HE2 LYS 8 HE2 LYS 8 16.619 -45.466 -22.448 57 HE3 LYS 8 HE3 LYS 8 15.046 -46.247 -22.283 58 HZ1 LYS 8 HZ1 LYS 8 14.902 -45.675 -20.057 59 HZ2 LYS 8 HZ2 LYS 8 15.600 -44.291 -20.753 60 HZ3 LYS 8 HZ3 LYS 8 16.568 -45.398 -19.903 61 HN1 NH2 9 HN1 NH2 9 18.940 -51.704 -22.744 62 HN2 NH2 9 HN2 NH2 9 20.074 -50.449 -22.885 63 H1 A2G 10 H1 A2G 10 6.433 -55.812 -19.033 64 H2 A2G 10 H2 A2G 10 6.247 -58.244 -18.732 65 HN2 A2G 10 HN2 A2G 10 4.068 -57.254 -20.475 66 H3 A2G 10 H3 A2G 10 3.337 -57.692 -18.088 67 HO3 A2G 10 HO3 A2G 10 4.649 -60.116 -17.661 68 H4 A2G 10 H4 A2G 10 3.874 -58.387 -15.822 69 HO4 A2G 10 HO4 A2G 10 6.546 -58.339 -15.952 70 H5 A2G 10 H5 A2G 10 4.175 -56.001 -16.317 71 H6 A2G 10 H6 A2G 10 6.634 -56.414 -14.750 72 H8 A2G 10 H8 A2G 10 4.471 -59.095 -22.762 73 H8A A2G 10 H8A A2G 10 5.908 -58.219 -23.285 74 H8B A2G 10 H8B A2G 10 4.499 -57.333 -22.703 75 H14 A2G 10 H14 A2G 10 5.138 -55.599 -14.296 76 H15 A2G 10 H15 A2G 10 5.567 -57.563 -13.125 77 H1 A2G 11 H1 A2G 11 11.117 -53.052 -20.945 78 H2 A2G 11 H2 A2G 11 12.255 -51.275 -19.685 79 HN2 A2G 11 HN2 A2G 11 9.939 -52.345 -18.179 80 H3 A2G 11 H3 A2G 11 9.483 -50.102 -19.321 81 HO3 A2G 11 HO3 A2G 11 11.871 -48.786 -18.745 82 H4 A2G 11 H4 A2G 11 10.236 -48.291 -20.756 83 HO4 A2G 11 HO4 A2G 11 12.319 -48.037 -20.704 84 H5 A2G 11 H5 A2G 11 9.228 -50.218 -21.894 85 H6 A2G 11 H6 A2G 11 9.977 -49.713 -24.071 86 H8 A2G 11 H8 A2G 11 10.497 -54.021 -16.674 87 H8A A2G 11 H8A A2G 11 11.188 -52.796 -15.612 88 H8B A2G 11 H8B A2G 11 12.173 -54.158 -16.145 89 H14 A2G 11 H14 A2G 11 10.418 -48.269 -23.159 90 H15 A2G 11 H15 A2G 11 12.120 -50.472 -23.698 Start of MODEL 11 1 H1 ACE 1 H1 ACE 1 -1.083 -55.828 -18.272 2 H2 ACE 1 H2 ACE 1 -0.335 -54.807 -17.043 3 H3 ACE 1 H3 ACE 1 0.372 -56.374 -17.438 4 HA PRO 2 HA PRO 2 0.954 -53.891 -21.626 5 HB2 PRO 2 HB2 PRO 2 0.433 -51.140 -20.949 6 HB3 PRO 2 HB3 PRO 2 -0.392 -52.147 -22.146 7 HG2 PRO 2 HG2 PRO 2 -1.213 -51.426 -19.439 8 HG3 PRO 2 HG3 PRO 2 -2.180 -52.041 -20.787 9 HD2 PRO 2 HD2 PRO 2 -1.594 -53.530 -18.564 10 HD3 PRO 2 HD3 PRO 2 -1.885 -54.246 -20.165 11 H THR 3 H THR 3 3.061 -54.491 -20.814 12 HA THR 3 HA THR 3 4.673 -52.152 -20.083 13 HB THR 3 HB THR 3 5.869 -53.448 -18.343 14 HG21 THR 3 HG21 THR 3 4.307 -53.023 -16.664 15 HG22 THR 3 HG22 THR 3 2.955 -53.602 -17.638 16 HG23 THR 3 HG23 THR 3 3.679 -52.030 -17.980 17 H THR 4 H THR 4 7.059 -52.708 -20.222 18 HA THR 4 HA THR 4 7.471 -54.412 -22.592 19 HB THR 4 HB THR 4 9.794 -53.078 -22.384 20 HG21 THR 4 HG21 THR 4 8.264 -53.060 -24.322 21 HG22 THR 4 HG22 THR 4 8.838 -51.434 -23.956 22 HG23 THR 4 HG23 THR 4 7.212 -51.923 -23.479 23 H THR 5 H THR 5 9.510 -55.635 -22.695 24 HA THR 5 HA THR 5 9.933 -57.092 -20.225 25 HB THR 5 HB THR 5 11.696 -58.215 -21.901 26 HG1 THR 5 HG1 THR 5 11.074 -57.954 -23.984 27 HG21 THR 5 HG21 THR 5 9.592 -59.517 -22.787 28 HG22 THR 5 HG22 THR 5 8.723 -58.510 -21.627 29 HG23 THR 5 HG23 THR 5 10.005 -59.588 -21.074 30 HA PRO 6 HA PRO 6 13.508 -55.255 -18.524 31 HB2 PRO 6 HB2 PRO 6 15.218 -57.559 -18.771 32 HB3 PRO 6 HB3 PRO 6 14.382 -56.966 -17.327 33 HG2 PRO 6 HG2 PRO 6 13.664 -59.149 -19.129 34 HG3 PRO 6 HG3 PRO 6 13.118 -58.820 -17.479 35 HD2 PRO 6 HD2 PRO 6 11.509 -58.523 -19.676 36 HD3 PRO 6 HD3 PRO 6 11.306 -57.572 -18.185 37 H LEU 7 H LEU 7 14.229 -53.756 -19.997 38 HA LEU 7 HA LEU 7 16.582 -54.386 -21.510 39 HB2 LEU 7 HB2 LEU 7 14.440 -55.086 -22.909 40 HB3 LEU 7 HB3 LEU 7 14.386 -53.358 -23.255 41 HG LEU 7 HG LEU 7 15.716 -54.451 -24.972 42 HD11 LEU 7 HD11 LEU 7 16.448 -52.222 -23.918 43 HD12 LEU 7 HD12 LEU 7 17.667 -53.099 -24.843 44 HD13 LEU 7 HD13 LEU 7 17.686 -53.158 -23.080 45 HD21 LEU 7 HD21 LEU 7 17.154 -56.155 -24.548 46 HD22 LEU 7 HD22 LEU 7 16.413 -56.206 -22.949 47 HD23 LEU 7 HD23 LEU 7 17.902 -55.296 -23.201 48 H LYS 8 H LYS 8 17.625 -52.693 -20.574 49 HA LYS 8 HA LYS 8 16.392 -50.070 -20.412 50 HB2 LYS 8 HB2 LYS 8 18.777 -49.483 -19.575 51 HB3 LYS 8 HB3 LYS 8 17.766 -50.519 -18.566 52 HG2 LYS 8 HG2 LYS 8 18.954 -52.454 -19.131 53 HG3 LYS 8 HG3 LYS 8 19.584 -51.750 -20.621 54 HD2 LYS 8 HD2 LYS 8 20.343 -50.416 -18.067 55 HD3 LYS 8 HD3 LYS 8 21.090 -51.975 -18.411 56 HE2 LYS 8 HE2 LYS 8 22.047 -51.194 -20.438 57 HE3 LYS 8 HE3 LYS 8 21.015 -49.765 -20.466 58 HZ1 LYS 8 HZ1 LYS 8 22.187 -49.311 -18.195 59 HZ2 LYS 8 HZ2 LYS 8 22.942 -48.887 -19.657 60 HZ3 LYS 8 HZ3 LYS 8 23.396 -50.307 -18.844 61 HN1 NH2 9 HN1 NH2 9 16.152 -49.432 -22.695 62 HN2 NH2 9 HN2 NH2 9 17.449 -49.465 -23.790 63 H1 A2G 10 H1 A2G 10 6.667 -55.457 -18.869 64 H2 A2G 10 H2 A2G 10 6.530 -57.823 -18.221 65 HN2 A2G 10 HN2 A2G 10 4.499 -57.069 -20.239 66 H3 A2G 10 H3 A2G 10 3.575 -57.285 -17.817 67 HO3 A2G 10 HO3 A2G 10 3.521 -59.355 -18.054 68 H4 A2G 10 H4 A2G 10 4.002 -57.620 -15.448 69 HO4 A2G 10 HO4 A2G 10 5.836 -59.047 -15.889 70 H5 A2G 10 H5 A2G 10 4.267 -55.323 -16.275 71 H6 A2G 10 H6 A2G 10 6.579 -55.873 -14.406 72 H8 A2G 10 H8 A2G 10 4.719 -59.420 -21.996 73 H8A A2G 10 H8A A2G 10 6.268 -58.892 -22.654 74 H8B A2G 10 H8B A2G 10 4.980 -57.718 -22.377 75 H14 A2G 10 H14 A2G 10 5.531 -54.456 -14.452 76 H15 A2G 10 H15 A2G 10 5.171 -56.270 -12.826 77 H1 A2G 11 H1 A2G 11 10.748 -51.516 -21.380 78 H2 A2G 11 H2 A2G 11 10.790 -49.455 -20.044 79 HN2 A2G 11 HN2 A2G 11 9.134 -51.533 -18.736 80 H3 A2G 11 H3 A2G 11 7.775 -49.749 -19.950 81 HO3 A2G 11 HO3 A2G 11 9.487 -48.577 -18.353 82 H4 A2G 11 H4 A2G 11 7.697 -47.751 -21.331 83 HO4 A2G 11 HO4 A2G 11 10.376 -47.735 -20.701 84 H5 A2G 11 H5 A2G 11 7.828 -49.887 -22.534 85 H6 A2G 11 H6 A2G 11 8.412 -49.009 -24.635 86 H8 A2G 11 H8 A2G 11 10.274 -52.785 -17.140 87 H8A A2G 11 H8A A2G 11 10.219 -51.386 -16.068 88 H8B A2G 11 H8B A2G 11 11.767 -52.132 -16.467 89 H14 A2G 11 H14 A2G 11 8.071 -47.554 -23.699 90 H15 A2G 11 H15 A2G 11 10.480 -48.553 -24.638 Start of MODEL 12 1 H1 ACE 1 H1 ACE 1 -2.274 -52.235 -18.989 2 H2 ACE 1 H2 ACE 1 -1.124 -50.914 -18.771 3 H3 ACE 1 H3 ACE 1 -1.290 -52.152 -17.527 4 HA PRO 2 HA PRO 2 0.973 -54.263 -21.200 5 HB2 PRO 2 HB2 PRO 2 1.715 -52.271 -23.146 6 HB3 PRO 2 HB3 PRO 2 0.612 -53.641 -23.346 7 HG2 PRO 2 HG2 PRO 2 -0.117 -50.977 -23.343 8 HG3 PRO 2 HG3 PRO 2 -1.208 -52.345 -23.084 9 HD2 PRO 2 HD2 PRO 2 -0.043 -50.461 -21.086 10 HD3 PRO 2 HD3 PRO 2 -1.592 -51.334 -21.050 11 H THR 3 H THR 3 2.743 -54.556 -19.901 12 HA THR 3 HA THR 3 4.703 -52.387 -19.636 13 HB THR 3 HB THR 3 5.691 -53.742 -17.873 14 HG21 THR 3 HG21 THR 3 3.098 -52.683 -17.833 15 HG22 THR 3 HG22 THR 3 4.086 -53.091 -16.430 16 HG23 THR 3 HG23 THR 3 2.945 -54.269 -17.078 17 H THR 4 H THR 4 6.992 -52.868 -19.930 18 HA THR 4 HA THR 4 7.402 -54.693 -22.208 19 HB THR 4 HB THR 4 9.492 -53.361 -22.567 20 HG21 THR 4 HG21 THR 4 7.259 -51.380 -22.382 21 HG22 THR 4 HG22 THR 4 7.030 -52.797 -23.406 22 HG23 THR 4 HG23 THR 4 8.370 -51.692 -23.715 23 H THR 5 H THR 5 9.556 -55.773 -22.299 24 HA THR 5 HA THR 5 10.044 -57.138 -19.788 25 HB THR 5 HB THR 5 11.880 -58.210 -21.406 26 HG1 THR 5 HG1 THR 5 9.983 -56.924 -23.061 27 HG21 THR 5 HG21 THR 5 9.980 -59.398 -20.406 28 HG22 THR 5 HG22 THR 5 10.137 -59.823 -22.111 29 HG23 THR 5 HG23 THR 5 8.892 -58.685 -21.597 30 HA PRO 6 HA PRO 6 13.472 -55.032 -18.103 31 HB2 PRO 6 HB2 PRO 6 15.320 -57.236 -18.249 32 HB3 PRO 6 HB3 PRO 6 14.428 -56.648 -16.838 33 HG2 PRO 6 HG2 PRO 6 13.868 -58.928 -18.574 34 HG3 PRO 6 HG3 PRO 6 13.278 -58.576 -16.945 35 HD2 PRO 6 HD2 PRO 6 11.688 -58.449 -19.171 36 HD3 PRO 6 HD3 PRO 6 11.406 -57.463 -17.718 37 H LEU 7 H LEU 7 14.151 -53.538 -19.596 38 HA LEU 7 HA LEU 7 16.548 -54.090 -21.070 39 HB2 LEU 7 HB2 LEU 7 14.443 -54.916 -22.469 40 HB3 LEU 7 HB3 LEU 7 14.341 -53.200 -22.868 41 HG LEU 7 HG LEU 7 16.934 -53.465 -23.298 42 HD11 LEU 7 HD11 LEU 7 17.713 -55.596 -23.770 43 HD12 LEU 7 HD12 LEU 7 16.107 -56.209 -24.163 44 HD13 LEU 7 HD13 LEU 7 16.569 -55.968 -22.479 45 HD21 LEU 7 HD21 LEU 7 15.317 -52.827 -25.017 46 HD22 LEU 7 HD22 LEU 7 14.777 -54.499 -25.166 47 HD23 LEU 7 HD23 LEU 7 16.406 -54.050 -25.671 48 H LYS 8 H LYS 8 15.968 -51.956 -23.022 49 HA LYS 8 HA LYS 8 15.408 -49.586 -21.444 50 HB2 LYS 8 HB2 LYS 8 18.187 -50.190 -22.472 51 HB3 LYS 8 HB3 LYS 8 17.652 -48.575 -22.004 52 HG2 LYS 8 HG2 LYS 8 16.954 -49.633 -19.767 53 HG3 LYS 8 HG3 LYS 8 17.914 -51.027 -20.261 54 HD2 LYS 8 HD2 LYS 8 19.556 -49.840 -19.165 55 HD3 LYS 8 HD3 LYS 8 19.722 -49.120 -20.767 56 HE2 LYS 8 HE2 LYS 8 18.037 -47.365 -20.024 57 HE3 LYS 8 HE3 LYS 8 18.217 -48.005 -18.390 58 HZ1 LYS 8 HZ1 LYS 8 20.016 -46.370 -19.931 59 HZ2 LYS 8 HZ2 LYS 8 20.773 -47.703 -19.199 60 HZ3 LYS 8 HZ3 LYS 8 19.914 -46.584 -18.251 61 HN1 NH2 9 HN1 NH2 9 17.257 -48.325 -24.081 62 HN2 NH2 9 HN2 NH2 9 16.761 -49.468 -25.234 63 H1 A2G 10 H1 A2G 10 6.573 -55.685 -18.809 64 H2 A2G 10 H2 A2G 10 6.584 -58.083 -18.268 65 HN2 A2G 10 HN2 A2G 10 4.333 -57.346 -20.047 66 H3 A2G 10 H3 A2G 10 3.660 -57.685 -17.575 67 HO3 A2G 10 HO3 A2G 10 5.407 -59.914 -17.423 68 H4 A2G 10 H4 A2G 10 4.314 -58.110 -15.274 69 HO4 A2G 10 HO4 A2G 10 6.055 -59.275 -15.135 70 H5 A2G 10 H5 A2G 10 4.416 -55.769 -16.007 71 H6 A2G 10 H6 A2G 10 6.951 -55.890 -14.491 72 H8 A2G 10 H8 A2G 10 4.740 -59.513 -22.162 73 H8A A2G 10 H8A A2G 10 6.107 -58.564 -22.745 74 H8B A2G 10 H8B A2G 10 4.635 -57.753 -22.208 75 H14 A2G 10 H14 A2G 10 5.438 -55.076 -14.089 76 H15 A2G 10 H15 A2G 10 5.135 -56.672 -12.781 77 H1 A2G 11 H1 A2G 11 10.967 -52.981 -20.963 78 H2 A2G 11 H2 A2G 11 11.980 -51.184 -19.627 79 HN2 A2G 11 HN2 A2G 11 9.501 -52.265 -18.423 80 H3 A2G 11 H3 A2G 11 9.206 -49.965 -19.618 81 HO3 A2G 11 HO3 A2G 11 10.052 -48.549 -18.266 82 H4 A2G 11 H4 A2G 11 10.149 -48.204 -21.003 83 HO4 A2G 11 HO4 A2G 11 12.270 -48.259 -21.628 84 H5 A2G 11 H5 A2G 11 9.247 -50.149 -22.200 85 H6 A2G 11 H6 A2G 11 10.483 -49.896 -24.299 86 H8 A2G 11 H8 A2G 11 9.927 -53.811 -16.701 87 H8A A2G 11 H8A A2G 11 10.247 -52.411 -15.677 88 H8B A2G 11 H8B A2G 11 11.461 -53.681 -15.840 89 H14 A2G 11 H14 A2G 11 10.356 -48.328 -23.502 90 H15 A2G 11 H15 A2G 11 12.439 -48.428 -22.917 Start of MODEL 13 1 H1 ACE 1 H1 ACE 1 -1.480 -51.886 -17.256 2 H2 ACE 1 H2 ACE 1 -2.359 -52.982 -18.322 3 H3 ACE 1 H3 ACE 1 -1.587 -51.541 -18.982 4 HA PRO 2 HA PRO 2 1.012 -55.626 -19.214 5 HB2 PRO 2 HB2 PRO 2 1.468 -54.874 -21.958 6 HB3 PRO 2 HB3 PRO 2 0.625 -56.303 -21.339 7 HG2 PRO 2 HG2 PRO 2 -0.467 -53.805 -22.385 8 HG3 PRO 2 HG3 PRO 2 -1.245 -55.380 -22.180 9 HD2 PRO 2 HD2 PRO 2 -1.841 -53.203 -20.627 10 HD3 PRO 2 HD3 PRO 2 -1.998 -54.879 -20.054 11 H THR 3 H THR 3 3.232 -55.579 -19.067 12 HA THR 3 HA THR 3 4.484 -52.925 -19.146 13 HB THR 3 HB THR 3 6.274 -53.944 -17.830 14 HG21 THR 3 HG21 THR 3 5.032 -53.748 -15.956 15 HG22 THR 3 HG22 THR 3 4.083 -55.178 -16.361 16 HG23 THR 3 HG23 THR 3 3.625 -53.602 -17.007 17 H THR 4 H THR 4 7.002 -53.229 -19.679 18 HA THR 4 HA THR 4 7.270 -54.838 -22.134 19 HB THR 4 HB THR 4 8.643 -52.678 -22.909 20 HG21 THR 4 HG21 THR 4 6.628 -51.983 -24.156 21 HG22 THR 4 HG22 THR 4 5.627 -52.952 -23.075 22 HG23 THR 4 HG23 THR 4 6.789 -53.739 -24.143 23 H THR 5 H THR 5 9.632 -54.793 -22.887 24 HA THR 5 HA THR 5 11.276 -55.530 -20.616 25 HB THR 5 HB THR 5 12.515 -55.432 -23.290 26 HG1 THR 5 HG1 THR 5 10.570 -57.401 -22.845 27 HG21 THR 5 HG21 THR 5 13.379 -57.538 -22.618 28 HG22 THR 5 HG22 THR 5 12.088 -57.778 -21.441 29 HG23 THR 5 HG23 THR 5 13.340 -56.574 -21.141 30 HA PRO 6 HA PRO 6 13.018 -51.406 -20.532 31 HB2 PRO 6 HB2 PRO 6 14.473 -52.182 -18.168 32 HB3 PRO 6 HB3 PRO 6 13.043 -51.144 -18.284 33 HG2 PRO 6 HG2 PRO 6 13.114 -53.657 -17.139 34 HG3 PRO 6 HG3 PRO 6 11.658 -52.807 -17.673 35 HD2 PRO 6 HD2 PRO 6 13.131 -55.033 -19.002 36 HD3 PRO 6 HD3 PRO 6 11.401 -54.629 -19.056 37 H LEU 7 H LEU 7 15.436 -50.693 -19.859 38 HA LEU 7 HA LEU 7 17.143 -51.896 -21.826 39 HB2 LEU 7 HB2 LEU 7 18.020 -49.947 -19.700 40 HB3 LEU 7 HB3 LEU 7 18.673 -50.165 -21.325 41 HG LEU 7 HG LEU 7 15.968 -49.024 -20.579 42 HD11 LEU 7 HD11 LEU 7 17.618 -47.526 -22.438 43 HD12 LEU 7 HD12 LEU 7 18.494 -47.848 -20.941 44 HD13 LEU 7 HD13 LEU 7 16.941 -47.014 -20.892 45 HD21 LEU 7 HD21 LEU 7 17.097 -49.980 -23.209 46 HD22 LEU 7 HD22 LEU 7 15.878 -48.706 -23.157 47 HD23 LEU 7 HD23 LEU 7 15.511 -50.305 -22.510 48 H LYS 8 H LYS 8 17.403 -54.056 -21.141 49 HA LYS 8 HA LYS 8 18.563 -54.615 -18.540 50 HB2 LYS 8 HB2 LYS 8 18.523 -56.957 -19.286 51 HB3 LYS 8 HB3 LYS 8 16.957 -56.186 -19.542 52 HG2 LYS 8 HG2 LYS 8 17.774 -55.668 -21.917 53 HG3 LYS 8 HG3 LYS 8 19.083 -56.806 -21.598 54 HD2 LYS 8 HD2 LYS 8 16.118 -57.421 -21.430 55 HD3 LYS 8 HD3 LYS 8 17.213 -57.953 -22.705 56 HE2 LYS 8 HE2 LYS 8 17.287 -59.821 -21.351 57 HE3 LYS 8 HE3 LYS 8 18.594 -58.888 -20.622 58 HZ1 LYS 8 HZ1 LYS 8 15.783 -58.712 -19.705 59 HZ2 LYS 8 HZ2 LYS 8 17.173 -58.127 -18.922 60 HZ3 LYS 8 HZ3 LYS 8 16.901 -59.800 -19.039 61 HN1 NH2 9 HN1 NH2 9 19.940 -53.316 -21.240 62 HN2 NH2 9 HN2 NH2 9 21.418 -54.151 -21.303 63 H1 A2G 10 H1 A2G 10 7.389 -55.539 -18.973 64 H2 A2G 10 H2 A2G 10 8.128 -57.872 -18.743 65 HN2 A2G 10 HN2 A2G 10 5.407 -57.764 -19.905 66 H3 A2G 10 H3 A2G 10 5.433 -58.336 -17.436 67 HO3 A2G 10 HO3 A2G 10 7.102 -60.301 -17.047 68 H4 A2G 10 H4 A2G 10 6.675 -58.714 -15.381 69 HO4 A2G 10 HO4 A2G 10 8.811 -58.778 -15.339 70 H5 A2G 10 H5 A2G 10 6.012 -56.393 -15.829 71 H6 A2G 10 H6 A2G 10 8.846 -56.175 -14.847 72 H8 A2G 10 H8 A2G 10 5.608 -59.303 -22.133 73 H8A A2G 10 H8A A2G 10 6.846 -58.489 -23.088 74 H8B A2G 10 H8B A2G 10 5.542 -57.555 -22.355 75 H14 A2G 10 H14 A2G 10 7.390 -55.396 -14.224 76 H15 A2G 10 H15 A2G 10 6.718 -57.631 -13.695 77 H1 A2G 11 H1 A2G 11 9.007 -50.663 -22.493 78 H2 A2G 11 H2 A2G 11 8.484 -48.496 -21.458 79 HN2 A2G 11 HN2 A2G 11 8.520 -50.726 -19.508 80 H3 A2G 11 H3 A2G 11 6.135 -49.944 -20.204 81 HO3 A2G 11 HO3 A2G 11 7.149 -47.306 -20.082 82 H4 A2G 11 H4 A2G 11 4.730 -48.557 -21.622 83 HO4 A2G 11 HO4 A2G 11 7.099 -47.259 -21.979 84 H5 A2G 11 H5 A2G 11 5.472 -50.687 -22.594 85 H6 A2G 11 H6 A2G 11 5.090 -50.168 -24.913 86 H8 A2G 11 H8 A2G 11 10.540 -50.852 -18.310 87 H8A A2G 11 H8A A2G 11 9.915 -49.522 -17.334 88 H8B A2G 11 H8B A2G 11 11.483 -49.373 -18.128 89 H14 A2G 11 H14 A2G 11 4.164 -48.995 -23.976 90 H15 A2G 11 H15 A2G 11 6.545 -47.969 -24.244 Start of MODEL 14 1 H1 ACE 1 H1 ACE 1 -0.323 -54.087 -16.453 2 H2 ACE 1 H2 ACE 1 0.490 -55.651 -16.427 3 H3 ACE 1 H3 ACE 1 -1.032 -55.463 -17.297 4 HA PRO 2 HA PRO 2 0.726 -54.447 -21.173 5 HB2 PRO 2 HB2 PRO 2 0.013 -51.658 -21.280 6 HB3 PRO 2 HB3 PRO 2 -0.773 -53.021 -22.092 7 HG2 PRO 2 HG2 PRO 2 -1.552 -51.603 -19.661 8 HG3 PRO 2 HG3 PRO 2 -2.513 -52.644 -20.721 9 HD2 PRO 2 HD2 PRO 2 -1.733 -53.385 -18.201 10 HD3 PRO 2 HD3 PRO 2 -2.023 -54.551 -19.512 11 H THR 3 H THR 3 2.928 -54.545 -20.856 12 HA THR 3 HA THR 3 4.301 -51.979 -20.491 13 HB THR 3 HB THR 3 5.960 -53.180 -18.964 14 HG21 THR 3 HG21 THR 3 3.133 -52.857 -17.917 15 HG22 THR 3 HG22 THR 3 4.251 -51.520 -18.190 16 HG23 THR 3 HG23 THR 3 4.623 -52.746 -16.979 17 H THR 4 H THR 4 6.889 -52.875 -20.469 18 HA THR 4 HA THR 4 7.107 -54.122 -23.134 19 HB THR 4 HB THR 4 9.452 -53.133 -23.049 20 HG21 THR 4 HG21 THR 4 8.699 -50.996 -23.780 21 HG22 THR 4 HG22 THR 4 7.270 -51.065 -22.749 22 HG23 THR 4 HG23 THR 4 7.385 -52.106 -24.168 23 H THR 5 H THR 5 10.105 -54.227 -22.094 24 HA THR 5 HA THR 5 9.995 -56.537 -20.339 25 HB THR 5 HB THR 5 9.993 -56.938 -23.135 26 HG1 THR 5 HG1 THR 5 10.085 -59.074 -22.468 27 HG21 THR 5 HG21 THR 5 12.647 -57.679 -21.874 28 HG22 THR 5 HG22 THR 5 12.421 -56.384 -23.048 29 HG23 THR 5 HG23 THR 5 12.127 -58.058 -23.516 30 HA PRO 6 HA PRO 6 13.793 -55.136 -18.722 31 HB2 PRO 6 HB2 PRO 6 15.260 -57.573 -19.170 32 HB3 PRO 6 HB3 PRO 6 14.548 -56.986 -17.660 33 HG2 PRO 6 HG2 PRO 6 13.546 -58.986 -19.535 34 HG3 PRO 6 HG3 PRO 6 13.106 -58.700 -17.845 35 HD2 PRO 6 HD2 PRO 6 11.440 -58.131 -19.944 36 HD3 PRO 6 HD3 PRO 6 11.394 -57.249 -18.400 37 H LEU 7 H LEU 7 14.425 -53.631 -20.288 38 HA LEU 7 HA LEU 7 16.742 -54.317 -21.833 39 HB2 LEU 7 HB2 LEU 7 14.174 -54.522 -23.111 40 HB3 LEU 7 HB3 LEU 7 15.087 -53.195 -23.830 41 HG LEU 7 HG LEU 7 16.199 -55.980 -23.392 42 HD11 LEU 7 HD11 LEU 7 14.559 -56.265 -25.067 43 HD12 LEU 7 HD12 LEU 7 16.038 -55.969 -25.981 44 HD13 LEU 7 HD13 LEU 7 14.863 -54.672 -25.760 45 HD21 LEU 7 HD21 LEU 7 17.468 -54.391 -25.436 46 HD22 LEU 7 HD22 LEU 7 18.177 -55.065 -23.967 47 HD23 LEU 7 HD23 LEU 7 17.417 -53.474 -23.931 48 H LYS 8 H LYS 8 17.969 -52.612 -21.364 49 HA LYS 8 HA LYS 8 16.798 -50.004 -20.863 50 HB2 LYS 8 HB2 LYS 8 18.845 -51.145 -19.679 51 HB3 LYS 8 HB3 LYS 8 19.750 -50.489 -21.043 52 HG2 LYS 8 HG2 LYS 8 19.880 -48.680 -19.617 53 HG3 LYS 8 HG3 LYS 8 18.361 -48.292 -20.425 54 HD2 LYS 8 HD2 LYS 8 17.131 -49.466 -18.598 55 HD3 LYS 8 HD3 LYS 8 18.667 -49.724 -17.769 56 HE2 LYS 8 HE2 LYS 8 17.833 -47.757 -16.772 57 HE3 LYS 8 HE3 LYS 8 18.970 -47.155 -17.979 58 HZ1 LYS 8 HZ1 LYS 8 17.087 -45.897 -18.356 59 HZ2 LYS 8 HZ2 LYS 8 16.024 -47.189 -18.063 60 HZ3 LYS 8 HZ3 LYS 8 16.922 -47.134 -19.505 61 HN1 NH2 9 HN1 NH2 9 17.718 -48.097 -23.527 62 HN2 NH2 9 HN2 NH2 9 16.307 -48.706 -22.805 63 H1 A2G 10 H1 A2G 10 6.678 -55.046 -18.477 64 H2 A2G 10 H2 A2G 10 6.433 -57.371 -17.720 65 HN2 A2G 10 HN2 A2G 10 4.934 -56.942 -20.238 66 H3 A2G 10 H3 A2G 10 3.466 -56.943 -18.171 67 HO3 A2G 10 HO3 A2G 10 4.982 -59.117 -17.162 68 H4 A2G 10 H4 A2G 10 3.239 -57.110 -15.757 69 HO4 A2G 10 HO4 A2G 10 5.126 -57.242 -14.481 70 H5 A2G 10 H5 A2G 10 3.658 -54.860 -16.647 71 H6 A2G 10 H6 A2G 10 5.474 -54.826 -14.302 72 H8 A2G 10 H8 A2G 10 6.003 -59.143 -21.808 73 H8A A2G 10 H8A A2G 10 7.593 -58.408 -22.016 74 H8B A2G 10 H8B A2G 10 6.140 -57.418 -22.150 75 H14 A2G 10 H14 A2G 10 3.982 -53.929 -14.581 76 H15 A2G 10 H15 A2G 10 2.900 -55.434 -13.611 77 H1 A2G 11 H1 A2G 11 10.926 -52.850 -21.584 78 H2 A2G 11 H2 A2G 11 11.878 -51.554 -19.725 79 HN2 A2G 11 HN2 A2G 11 9.482 -53.108 -18.941 80 H3 A2G 11 H3 A2G 11 9.047 -50.562 -19.293 81 HO3 A2G 11 HO3 A2G 11 11.498 -50.318 -17.950 82 H4 A2G 11 H4 A2G 11 9.870 -48.390 -20.007 83 HO4 A2G 11 HO4 A2G 11 11.920 -48.092 -19.794 84 H5 A2G 11 H5 A2G 11 9.039 -49.866 -21.785 85 H6 A2G 11 H6 A2G 11 10.041 -48.753 -23.639 86 H8 A2G 11 H8 A2G 11 9.968 -55.074 -17.816 87 H8A A2G 11 H8A A2G 11 10.373 -54.134 -16.380 88 H8B A2G 11 H8B A2G 11 11.554 -55.251 -17.064 89 H14 A2G 11 H14 A2G 11 10.194 -47.622 -22.294 90 H15 A2G 11 H15 A2G 11 12.211 -47.676 -22.946 Start of MODEL 15 1 H1 ACE 1 H1 ACE 1 -2.607 -52.973 -20.329 2 H2 ACE 1 H2 ACE 1 -1.850 -51.445 -19.877 3 H3 ACE 1 H3 ACE 1 -2.075 -52.709 -18.668 4 HA PRO 2 HA PRO 2 1.103 -54.803 -21.757 5 HB2 PRO 2 HB2 PRO 2 2.044 -52.662 -23.440 6 HB3 PRO 2 HB3 PRO 2 1.226 -54.156 -23.923 7 HG2 PRO 2 HG2 PRO 2 0.149 -51.459 -23.620 8 HG3 PRO 2 HG3 PRO 2 -0.507 -52.845 -24.501 9 HD2 PRO 2 HD2 PRO 2 -1.607 -51.890 -22.180 10 HD3 PRO 2 HD3 PRO 2 -1.726 -53.592 -22.685 11 H THR 3 H THR 3 3.342 -54.843 -21.359 12 HA THR 3 HA THR 3 4.573 -52.458 -20.167 13 HB THR 3 HB THR 3 5.392 -53.762 -18.240 14 HG21 THR 3 HG21 THR 3 2.425 -54.204 -18.292 15 HG22 THR 3 HG22 THR 3 3.052 -52.558 -18.383 16 HG23 THR 3 HG23 THR 3 3.434 -53.571 -16.991 17 H THR 4 H THR 4 6.958 -53.300 -19.441 18 HA THR 4 HA THR 4 8.042 -54.964 -21.616 19 HB THR 4 HB THR 4 9.837 -53.351 -22.016 20 HG21 THR 4 HG21 THR 4 7.398 -51.631 -22.109 21 HG22 THR 4 HG22 THR 4 7.361 -53.155 -22.995 22 HG23 THR 4 HG23 THR 4 8.594 -51.949 -23.365 23 H THR 5 H THR 5 10.067 -55.938 -21.146 24 HA THR 5 HA THR 5 10.430 -56.497 -18.325 25 HB THR 5 HB THR 5 10.951 -58.472 -19.268 26 HG1 THR 5 HG1 THR 5 13.233 -57.117 -20.259 27 HG21 THR 5 HG21 THR 5 9.970 -57.795 -21.388 28 HG22 THR 5 HG22 THR 5 11.461 -58.681 -21.705 29 HG23 THR 5 HG23 THR 5 11.438 -56.921 -21.825 30 HA PRO 6 HA PRO 6 13.709 -53.896 -17.101 31 HB2 PRO 6 HB2 PRO 6 15.704 -55.940 -16.729 32 HB3 PRO 6 HB3 PRO 6 14.736 -55.118 -15.497 33 HG2 PRO 6 HG2 PRO 6 14.378 -57.760 -16.686 34 HG3 PRO 6 HG3 PRO 6 13.721 -57.099 -15.182 35 HD2 PRO 6 HD2 PRO 6 12.187 -57.583 -17.400 36 HD3 PRO 6 HD3 PRO 6 11.802 -56.322 -16.206 37 H LEU 7 H LEU 7 14.226 -52.775 -18.974 38 HA LEU 7 HA LEU 7 16.743 -53.386 -20.204 39 HB2 LEU 7 HB2 LEU 7 14.340 -54.384 -21.455 40 HB3 LEU 7 HB3 LEU 7 15.118 -53.186 -22.490 41 HG LEU 7 HG LEU 7 16.722 -55.370 -21.169 42 HD11 LEU 7 HD11 LEU 7 16.475 -56.671 -23.263 43 HD12 LEU 7 HD12 LEU 7 15.308 -55.487 -23.852 44 HD13 LEU 7 HD13 LEU 7 14.928 -56.475 -22.440 45 HD21 LEU 7 HD21 LEU 7 18.309 -54.867 -22.905 46 HD22 LEU 7 HD22 LEU 7 17.777 -53.319 -22.246 47 HD23 LEU 7 HD23 LEU 7 17.130 -53.893 -23.783 48 H LYS 8 H LYS 8 16.742 -51.859 -22.397 49 HA LYS 8 HA LYS 8 16.400 -49.191 -21.307 50 HB2 LYS 8 HB2 LYS 8 17.521 -48.472 -23.396 51 HB3 LYS 8 HB3 LYS 8 18.437 -49.718 -22.548 52 HG2 LYS 8 HG2 LYS 8 16.672 -51.124 -24.219 53 HG3 LYS 8 HG3 LYS 8 17.279 -49.795 -25.207 54 HD2 LYS 8 HD2 LYS 8 19.598 -50.412 -24.603 55 HD3 LYS 8 HD3 LYS 8 18.983 -51.757 -23.642 56 HE2 LYS 8 HE2 LYS 8 19.691 -52.520 -25.883 57 HE3 LYS 8 HE3 LYS 8 17.956 -52.737 -25.656 58 HZ1 LYS 8 HZ1 LYS 8 17.490 -50.850 -26.946 59 HZ2 LYS 8 HZ2 LYS 8 18.677 -51.699 -27.816 60 HZ3 LYS 8 HZ3 LYS 8 19.100 -50.319 -26.921 61 HN1 NH2 9 HN1 NH2 9 13.644 -50.737 -23.422 62 HN2 NH2 9 HN2 NH2 9 14.860 -50.510 -24.583 63 H1 A2G 10 H1 A2G 10 6.492 -55.675 -18.883 64 H2 A2G 10 H2 A2G 10 6.472 -58.070 -18.330 65 HN2 A2G 10 HN2 A2G 10 4.613 -57.456 -20.553 66 H3 A2G 10 H3 A2G 10 3.456 -57.782 -18.289 67 HO3 A2G 10 HO3 A2G 10 5.283 -59.903 -18.083 68 H4 A2G 10 H4 A2G 10 3.611 -58.179 -15.896 69 HO4 A2G 10 HO4 A2G 10 5.341 -59.359 -15.514 70 H5 A2G 10 H5 A2G 10 3.785 -55.837 -16.613 71 H6 A2G 10 H6 A2G 10 5.927 -56.110 -14.526 72 H8 A2G 10 H8 A2G 10 5.300 -59.411 -22.443 73 H8A A2G 10 H8A A2G 10 6.954 -58.907 -22.791 74 H8B A2G 10 H8B A2G 10 5.671 -57.703 -22.678 75 H14 A2G 10 H14 A2G 10 4.564 -54.992 -14.583 76 H15 A2G 10 H15 A2G 10 3.217 -56.900 -14.302 77 H1 A2G 11 H1 A2G 11 11.159 -52.685 -20.356 78 H2 A2G 11 H2 A2G 11 11.888 -50.669 -19.153 79 HN2 A2G 11 HN2 A2G 11 9.431 -51.772 -17.923 80 H3 A2G 11 H3 A2G 11 9.005 -49.770 -19.420 81 HO3 A2G 11 HO3 A2G 11 9.560 -48.307 -18.028 82 H4 A2G 11 H4 A2G 11 9.849 -48.053 -20.919 83 HO4 A2G 11 HO4 A2G 11 12.026 -48.271 -19.775 84 H5 A2G 11 H5 A2G 11 9.236 -50.190 -21.963 85 H6 A2G 11 H6 A2G 11 10.381 -49.887 -24.024 86 H8 A2G 11 H8 A2G 11 9.994 -53.422 -16.195 87 H8A A2G 11 H8A A2G 11 10.085 -51.916 -15.283 88 H8B A2G 11 H8B A2G 11 11.444 -53.039 -15.267 89 H14 A2G 11 H14 A2G 11 10.404 -48.293 -23.270 90 H15 A2G 11 H15 A2G 11 12.474 -50.228 -23.234 Start of MODEL 16 1 H1 ACE 1 H1 ACE 1 -1.634 -51.174 -17.250 2 H2 ACE 1 H2 ACE 1 -2.622 -52.105 -18.375 3 H3 ACE 1 H3 ACE 1 -1.680 -50.734 -18.958 4 HA PRO 2 HA PRO 2 0.427 -55.078 -19.382 5 HB2 PRO 2 HB2 PRO 2 1.006 -54.247 -22.078 6 HB3 PRO 2 HB3 PRO 2 -0.008 -55.595 -21.542 7 HG2 PRO 2 HG2 PRO 2 -0.784 -52.935 -22.464 8 HG3 PRO 2 HG3 PRO 2 -1.745 -54.416 -22.348 9 HD2 PRO 2 HD2 PRO 2 -2.102 -52.267 -20.687 10 HD3 PRO 2 HD3 PRO 2 -2.464 -53.940 -20.204 11 H THR 3 H THR 3 2.612 -55.271 -19.117 12 HA THR 3 HA THR 3 4.179 -52.788 -19.136 13 HB THR 3 HB THR 3 5.787 -54.026 -17.767 14 HG21 THR 3 HG21 THR 3 3.196 -53.319 -17.025 15 HG22 THR 3 HG22 THR 3 4.525 -53.682 -15.925 16 HG23 THR 3 HG23 THR 3 3.389 -54.951 -16.384 17 H THR 4 H THR 4 6.680 -53.477 -19.537 18 HA THR 4 HA THR 4 6.812 -55.046 -22.028 19 HB THR 4 HB THR 4 8.338 -53.268 -22.962 20 HG21 THR 4 HG21 THR 4 6.560 -52.243 -23.980 21 HG22 THR 4 HG22 THR 4 5.760 -51.885 -22.449 22 HG23 THR 4 HG23 THR 4 5.650 -53.502 -23.145 23 H THR 5 H THR 5 9.247 -55.222 -22.684 24 HA THR 5 HA THR 5 10.602 -56.395 -20.407 25 HB THR 5 HB THR 5 11.602 -56.141 -23.249 26 HG1 THR 5 HG1 THR 5 9.726 -57.812 -22.041 27 HG21 THR 5 HG21 THR 5 13.201 -56.786 -21.391 28 HG22 THR 5 HG22 THR 5 13.026 -57.987 -22.672 29 HG23 THR 5 HG23 THR 5 12.202 -58.216 -21.130 30 HA PRO 6 HA PRO 6 12.887 -52.863 -19.103 31 HB2 PRO 6 HB2 PRO 6 15.228 -54.468 -18.612 32 HB3 PRO 6 HB3 PRO 6 14.067 -53.837 -17.434 33 HG2 PRO 6 HG2 PRO 6 14.286 -56.513 -18.580 34 HG3 PRO 6 HG3 PRO 6 13.450 -55.976 -17.116 35 HD2 PRO 6 HD2 PRO 6 12.135 -56.782 -19.379 36 HD3 PRO 6 HD3 PRO 6 11.459 -55.607 -18.229 37 H LEU 7 H LEU 7 13.830 -51.413 -20.411 38 HA LEU 7 HA LEU 7 15.103 -52.185 -22.864 39 HB2 LEU 7 HB2 LEU 7 13.746 -50.035 -22.338 40 HB3 LEU 7 HB3 LEU 7 15.263 -49.431 -21.671 41 HG LEU 7 HG LEU 7 16.199 -50.393 -23.996 42 HD11 LEU 7 HD11 LEU 7 14.596 -49.968 -25.796 43 HD12 LEU 7 HD12 LEU 7 13.367 -49.503 -24.621 44 HD13 LEU 7 HD13 LEU 7 13.935 -51.171 -24.689 45 HD21 LEU 7 HD21 LEU 7 16.619 -48.137 -23.403 46 HD22 LEU 7 HD22 LEU 7 14.901 -47.738 -23.372 47 HD23 LEU 7 HD23 LEU 7 15.714 -48.021 -24.912 48 H LYS 8 H LYS 8 16.475 -53.408 -20.802 49 HA LYS 8 HA LYS 8 18.838 -51.851 -20.157 50 HB2 LYS 8 HB2 LYS 8 17.563 -54.123 -19.079 51 HB3 LYS 8 HB3 LYS 8 19.138 -54.671 -19.654 52 HG2 LYS 8 HG2 LYS 8 18.673 -52.274 -17.856 53 HG3 LYS 8 HG3 LYS 8 19.261 -53.848 -17.320 54 HD2 LYS 8 HD2 LYS 8 20.888 -53.096 -19.512 55 HD3 LYS 8 HD3 LYS 8 20.752 -51.671 -18.480 56 HE2 LYS 8 HE2 LYS 8 22.647 -53.043 -17.751 57 HE3 LYS 8 HE3 LYS 8 21.385 -53.060 -16.517 58 HZ1 LYS 8 HZ1 LYS 8 20.731 -55.195 -17.104 59 HZ2 LYS 8 HZ2 LYS 8 22.426 -55.272 -17.192 60 HZ3 LYS 8 HZ3 LYS 8 21.505 -55.137 -18.613 61 HN1 NH2 9 HN1 NH2 9 19.515 -55.253 -21.446 62 HN2 NH2 9 HN2 NH2 9 19.040 -54.711 -22.983 63 H1 A2G 10 H1 A2G 10 6.748 -55.745 -18.808 64 H2 A2G 10 H2 A2G 10 7.152 -58.160 -18.593 65 HN2 A2G 10 HN2 A2G 10 4.588 -57.560 -19.947 66 H3 A2G 10 H3 A2G 10 4.339 -58.280 -17.471 67 HO3 A2G 10 HO3 A2G 10 5.913 -60.428 -17.114 68 H4 A2G 10 H4 A2G 10 5.381 -58.857 -15.353 69 HO4 A2G 10 HO4 A2G 10 7.690 -58.804 -16.944 70 H5 A2G 10 H5 A2G 10 5.066 -56.460 -15.780 71 H6 A2G 10 H6 A2G 10 7.826 -56.555 -14.629 72 H8 A2G 10 H8 A2G 10 4.739 -59.346 -22.223 73 H8A A2G 10 H8A A2G 10 6.077 -58.499 -22.999 74 H8B A2G 10 H8B A2G 10 4.762 -57.584 -22.259 75 H14 A2G 10 H14 A2G 10 6.389 -55.731 -14.024 76 H15 A2G 10 H15 A2G 10 6.685 -57.453 -12.705 77 H1 A2G 11 H1 A2G 11 9.936 -52.385 -21.568 78 H2 A2G 11 H2 A2G 11 10.622 -50.168 -20.761 79 HN2 A2G 11 HN2 A2G 11 8.625 -51.358 -18.927 80 H3 A2G 11 H3 A2G 11 7.653 -49.620 -20.494 81 HO3 A2G 11 HO3 A2G 11 9.980 -48.067 -20.043 82 H4 A2G 11 H4 A2G 11 7.946 -48.028 -22.307 83 HO4 A2G 11 HO4 A2G 11 9.857 -47.381 -22.842 84 H5 A2G 11 H5 A2G 11 7.421 -50.333 -22.971 85 H6 A2G 11 H6 A2G 11 8.173 -50.221 -25.257 86 H8 A2G 11 H8 A2G 11 9.562 -52.610 -17.214 87 H8A A2G 11 H8A A2G 11 10.041 -51.112 -16.414 88 H8B A2G 11 H8B A2G 11 11.253 -52.335 -16.793 89 H14 A2G 11 H14 A2G 11 7.958 -48.558 -24.712 90 H15 A2G 11 H15 A2G 11 10.379 -49.132 -24.046 Start of MODEL 17 1 H1 ACE 1 H1 ACE 1 0.001 -56.763 -17.334 2 H2 ACE 1 H2 ACE 1 -1.507 -56.343 -18.147 3 H3 ACE 1 H3 ACE 1 -0.837 -55.266 -16.922 4 HA PRO 2 HA PRO 2 0.309 -54.215 -21.516 5 HB2 PRO 2 HB2 PRO 2 -0.441 -51.524 -20.815 6 HB3 PRO 2 HB3 PRO 2 -1.193 -52.595 -22.008 7 HG2 PRO 2 HG2 PRO 2 -2.036 -51.959 -19.285 8 HG3 PRO 2 HG3 PRO 2 -2.964 -52.651 -20.624 9 HD2 PRO 2 HD2 PRO 2 -2.220 -54.093 -18.417 10 HD3 PRO 2 HD3 PRO 2 -2.470 -54.825 -20.019 11 H THR 3 H THR 3 2.485 -54.596 -20.816 12 HA THR 3 HA THR 3 3.877 -52.138 -20.022 13 HB THR 3 HB THR 3 5.262 -53.403 -18.389 14 HG21 THR 3 HG21 THR 3 2.975 -52.175 -17.906 15 HG22 THR 3 HG22 THR 3 3.747 -53.130 -16.642 16 HG23 THR 3 HG23 THR 3 2.407 -53.810 -17.566 17 H THR 4 H THR 4 6.419 -53.170 -19.790 18 HA THR 4 HA THR 4 6.913 -54.618 -22.309 19 HB THR 4 HB THR 4 8.769 -53.037 -22.823 20 HG21 THR 4 HG21 THR 4 6.237 -51.440 -22.504 21 HG22 THR 4 HG22 THR 4 6.298 -52.802 -23.622 22 HG23 THR 4 HG23 THR 4 7.387 -51.433 -23.841 23 H THR 5 H THR 5 9.198 -55.391 -22.447 24 HA THR 5 HA THR 5 9.949 -56.587 -19.916 25 HB THR 5 HB THR 5 11.899 -57.283 -21.746 26 HG1 THR 5 HG1 THR 5 11.034 -56.516 -23.535 27 HG21 THR 5 HG21 THR 5 10.417 -59.346 -22.032 28 HG22 THR 5 HG22 THR 5 9.234 -58.510 -21.029 29 HG23 THR 5 HG23 THR 5 10.823 -58.906 -20.374 30 HA PRO 6 HA PRO 6 13.292 -53.918 -18.925 31 HB2 PRO 6 HB2 PRO 6 15.119 -56.013 -18.166 32 HB3 PRO 6 HB3 PRO 6 14.095 -55.022 -17.118 33 HG2 PRO 6 HG2 PRO 6 13.783 -57.728 -17.572 34 HG3 PRO 6 HG3 PRO 6 12.548 -56.642 -16.923 35 HD2 PRO 6 HD2 PRO 6 12.815 -57.753 -19.676 36 HD3 PRO 6 HD3 PRO 6 11.351 -57.292 -18.779 37 H LEU 7 H LEU 7 14.656 -52.850 -20.230 38 HA LEU 7 HA LEU 7 16.880 -54.127 -21.513 39 HB2 LEU 7 HB2 LEU 7 14.699 -54.515 -22.972 40 HB3 LEU 7 HB3 LEU 7 15.036 -52.863 -23.492 41 HG LEU 7 HG LEU 7 16.169 -54.398 -25.000 42 HD11 LEU 7 HD11 LEU 7 17.320 -52.268 -24.130 43 HD12 LEU 7 HD12 LEU 7 18.359 -53.481 -24.879 44 HD13 LEU 7 HD13 LEU 7 18.289 -53.343 -23.123 45 HD21 LEU 7 HD21 LEU 7 16.383 -56.021 -22.768 46 HD22 LEU 7 HD22 LEU 7 18.044 -55.478 -23.013 47 HD23 LEU 7 HD23 LEU 7 17.185 -56.307 -24.312 48 H LYS 8 H LYS 8 18.273 -52.613 -20.782 49 HA LYS 8 HA LYS 8 17.620 -49.786 -20.880 50 HB2 LYS 8 HB2 LYS 8 19.897 -49.504 -19.917 51 HB3 LYS 8 HB3 LYS 8 18.895 -50.617 -18.983 52 HG2 LYS 8 HG2 LYS 8 19.956 -52.534 -20.120 53 HG3 LYS 8 HG3 LYS 8 20.961 -51.423 -21.053 54 HD2 LYS 8 HD2 LYS 8 21.174 -50.754 -18.266 55 HD3 LYS 8 HD3 LYS 8 21.485 -52.478 -18.468 56 HE2 LYS 8 HE2 LYS 8 23.125 -51.961 -20.254 57 HE3 LYS 8 HE3 LYS 8 22.837 -50.239 -20.005 58 HZ1 LYS 8 HZ1 LYS 8 24.777 -51.481 -18.786 59 HZ2 LYS 8 HZ2 LYS 8 23.545 -51.877 -17.684 60 HZ3 LYS 8 HZ3 LYS 8 23.904 -50.249 -18.012 61 HN1 NH2 9 HN1 NH2 9 20.375 -48.806 -23.030 62 HN2 NH2 9 HN2 NH2 9 18.975 -48.193 -22.293 63 H1 A2G 10 H1 A2G 10 6.180 -55.346 -19.073 64 H2 A2G 10 H2 A2G 10 6.252 -57.728 -18.470 65 HN2 A2G 10 HN2 A2G 10 4.002 -57.135 -20.301 66 H3 A2G 10 H3 A2G 10 3.308 -57.403 -17.844 67 HO3 A2G 10 HO3 A2G 10 5.083 -59.527 -18.100 68 H4 A2G 10 H4 A2G 10 3.924 -57.750 -15.521 69 HO4 A2G 10 HO4 A2G 10 6.171 -57.839 -15.003 70 H5 A2G 10 H5 A2G 10 3.975 -55.426 -16.312 71 H6 A2G 10 H6 A2G 10 6.487 -55.571 -14.709 72 H8 A2G 10 H8 A2G 10 4.399 -59.173 -22.323 73 H8A A2G 10 H8A A2G 10 5.901 -58.486 -22.941 74 H8B A2G 10 H8B A2G 10 4.550 -57.429 -22.533 75 H14 A2G 10 H14 A2G 10 5.045 -54.590 -14.448 76 H15 A2G 10 H15 A2G 10 4.554 -56.047 -13.034 77 H1 A2G 11 H1 A2G 11 10.306 -52.247 -21.572 78 H2 A2G 11 H2 A2G 11 11.132 -50.359 -20.234 79 HN2 A2G 11 HN2 A2G 11 9.140 -51.958 -18.737 80 H3 A2G 11 H3 A2G 11 8.206 -49.776 -19.706 81 HO3 A2G 11 HO3 A2G 11 9.107 -48.864 -18.054 82 H4 A2G 11 H4 A2G 11 8.530 -47.771 -21.039 83 HO4 A2G 11 HO4 A2G 11 10.861 -48.296 -22.192 84 H5 A2G 11 H5 A2G 11 7.864 -49.787 -22.271 85 H6 A2G 11 H6 A2G 11 8.419 -49.026 -24.437 86 H8 A2G 11 H8 A2G 11 10.080 -53.552 -17.335 87 H8A A2G 11 H8A A2G 11 10.540 -52.260 -16.227 88 H8B A2G 11 H8B A2G 11 11.766 -53.363 -16.853 89 H14 A2G 11 H14 A2G 11 8.582 -47.577 -23.445 90 H15 A2G 11 H15 A2G 11 10.792 -49.260 -23.756 Start of MODEL 18 1 H1 ACE 1 H1 ACE 1 -2.161 -52.203 -20.737 2 H2 ACE 1 H2 ACE 1 -2.467 -52.741 -19.085 3 H3 ACE 1 H3 ACE 1 -3.082 -53.678 -20.446 4 HA PRO 2 HA PRO 2 0.777 -55.788 -20.889 5 HB2 PRO 2 HB2 PRO 2 1.717 -54.803 -23.429 6 HB3 PRO 2 HB3 PRO 2 0.842 -56.303 -23.093 7 HG2 PRO 2 HG2 PRO 2 -0.154 -54.142 -24.496 8 HG3 PRO 2 HG3 PRO 2 -1.121 -55.430 -23.762 9 HD2 PRO 2 HD2 PRO 2 -0.644 -52.650 -22.794 10 HD3 PRO 2 HD3 PRO 2 -2.058 -53.703 -22.561 11 H THR 3 H THR 3 2.691 -55.539 -19.891 12 HA THR 3 HA THR 3 3.965 -52.895 -19.902 13 HB THR 3 HB THR 3 5.217 -53.700 -17.970 14 HG21 THR 3 HG21 THR 3 2.502 -54.776 -17.383 15 HG22 THR 3 HG22 THR 3 2.594 -53.113 -17.963 16 HG23 THR 3 HG23 THR 3 3.454 -53.585 -16.498 17 H THR 4 H THR 4 6.343 -52.798 -20.033 18 HA THR 4 HA THR 4 7.324 -54.658 -22.098 19 HB THR 4 HB THR 4 9.023 -52.886 -22.542 20 HG21 THR 4 HG21 THR 4 7.575 -51.623 -23.840 21 HG22 THR 4 HG22 THR 4 6.368 -51.505 -22.561 22 HG23 THR 4 HG23 THR 4 6.538 -53.003 -23.475 23 H THR 5 H THR 5 9.616 -55.272 -21.997 24 HA THR 5 HA THR 5 10.310 -56.143 -19.321 25 HB THR 5 HB THR 5 11.029 -57.859 -20.587 26 HG1 THR 5 HG1 THR 5 13.084 -57.524 -20.433 27 HG21 THR 5 HG21 THR 5 11.384 -57.627 -23.055 28 HG22 THR 5 HG22 THR 5 11.067 -55.899 -22.896 29 HG23 THR 5 HG23 THR 5 9.799 -57.067 -22.523 30 HA PRO 6 HA PRO 6 13.243 -53.222 -17.946 31 HB2 PRO 6 HB2 PRO 6 15.550 -54.947 -17.999 32 HB3 PRO 6 HB3 PRO 6 14.577 -54.462 -16.602 33 HG2 PRO 6 HG2 PRO 6 14.526 -56.948 -18.134 34 HG3 PRO 6 HG3 PRO 6 13.907 -56.606 -16.511 35 HD2 PRO 6 HD2 PRO 6 12.281 -57.037 -18.674 36 HD3 PRO 6 HD3 PRO 6 11.810 -56.023 -17.290 37 H LEU 7 H LEU 7 14.121 -51.625 -19.123 38 HA LEU 7 HA LEU 7 15.009 -52.047 -21.819 39 HB2 LEU 7 HB2 LEU 7 14.238 -49.830 -20.192 40 HB3 LEU 7 HB3 LEU 7 15.830 -49.491 -20.874 41 HG LEU 7 HG LEU 7 14.960 -50.107 -23.127 42 HD11 LEU 7 HD11 LEU 7 12.800 -51.115 -21.550 43 HD12 LEU 7 HD12 LEU 7 13.014 -51.222 -23.298 44 HD13 LEU 7 HD13 LEU 7 12.162 -49.846 -22.595 45 HD21 LEU 7 HD21 LEU 7 14.561 -47.898 -23.319 46 HD22 LEU 7 HD22 LEU 7 14.369 -47.786 -21.570 47 HD23 LEU 7 HD23 LEU 7 12.970 -48.117 -22.589 48 H LYS 8 H LYS 8 17.064 -52.014 -22.646 49 HA LYS 8 HA LYS 8 19.351 -51.449 -20.952 50 HB2 LYS 8 HB2 LYS 8 20.341 -53.752 -21.511 51 HB3 LYS 8 HB3 LYS 8 19.112 -53.693 -20.247 52 HG2 LYS 8 HG2 LYS 8 17.446 -54.583 -21.652 53 HG3 LYS 8 HG3 LYS 8 18.342 -54.184 -23.118 54 HD2 LYS 8 HD2 LYS 8 19.725 -56.005 -21.234 55 HD3 LYS 8 HD3 LYS 8 18.299 -56.672 -22.030 56 HE2 LYS 8 HE2 LYS 8 19.211 -56.091 -24.223 57 HE3 LYS 8 HE3 LYS 8 20.610 -55.332 -23.464 58 HZ1 LYS 8 HZ1 LYS 8 20.303 -57.999 -24.160 59 HZ2 LYS 8 HZ2 LYS 8 20.285 -57.946 -22.461 60 HZ3 LYS 8 HZ3 LYS 8 21.596 -57.291 -23.321 61 HN1 NH2 9 HN1 NH2 9 18.443 -50.256 -23.510 62 HN2 NH2 9 HN2 NH2 9 19.119 -51.081 -24.831 63 H1 A2G 10 H1 A2G 10 6.613 -55.479 -18.605 64 H2 A2G 10 H2 A2G 10 7.192 -57.672 -17.657 65 HN2 A2G 10 HN2 A2G 10 4.898 -57.926 -19.513 66 H3 A2G 10 H3 A2G 10 4.229 -57.921 -17.069 67 HO3 A2G 10 HO3 A2G 10 5.384 -59.743 -15.818 68 H4 A2G 10 H4 A2G 10 4.846 -57.780 -14.723 69 HO4 A2G 10 HO4 A2G 10 7.246 -58.342 -15.690 70 H5 A2G 10 H5 A2G 10 4.401 -55.644 -15.850 71 H6 A2G 10 H6 A2G 10 6.833 -54.959 -14.275 72 H8 A2G 10 H8 A2G 10 5.859 -60.000 -21.259 73 H8A A2G 10 H8A A2G 10 7.130 -59.036 -22.011 74 H8B A2G 10 H8B A2G 10 5.542 -58.327 -21.718 75 H14 A2G 10 H14 A2G 10 5.187 -54.344 -14.123 76 H15 A2G 10 H15 A2G 10 5.409 -55.621 -12.394 77 H1 A2G 11 H1 A2G 11 10.311 -52.011 -20.985 78 H2 A2G 11 H2 A2G 11 10.812 -49.925 -19.785 79 HN2 A2G 11 HN2 A2G 11 8.614 -51.402 -18.458 80 H3 A2G 11 H3 A2G 11 7.821 -49.445 -19.881 81 HO3 A2G 11 HO3 A2G 11 8.885 -48.648 -18.038 82 H4 A2G 11 H4 A2G 11 8.325 -47.609 -21.392 83 HO4 A2G 11 HO4 A2G 11 10.433 -47.220 -20.501 84 H5 A2G 11 H5 A2G 11 7.967 -49.800 -22.440 85 H6 A2G 11 H6 A2G 11 8.932 -49.311 -24.554 86 H8 A2G 11 H8 A2G 11 9.413 -52.914 -16.832 87 H8A A2G 11 H8A A2G 11 9.543 -51.508 -15.775 88 H8B A2G 11 H8B A2G 11 10.948 -52.538 -16.050 89 H14 A2G 11 H14 A2G 11 8.786 -47.738 -23.770 90 H15 A2G 11 H15 A2G 11 11.034 -48.355 -22.970 Start of MODEL 19 1 H1 ACE 1 H1 ACE 1 -2.074 -52.756 -18.417 2 H2 ACE 1 H2 ACE 1 -1.945 -54.103 -17.285 3 H3 ACE 1 H3 ACE 1 -2.853 -54.294 -18.785 4 HA PRO 2 HA PRO 2 0.832 -55.248 -21.034 5 HB2 PRO 2 HB2 PRO 2 1.088 -52.965 -22.775 6 HB3 PRO 2 HB3 PRO 2 0.363 -54.540 -23.132 7 HG2 PRO 2 HG2 PRO 2 -1.006 -52.149 -22.932 8 HG3 PRO 2 HG3 PRO 2 -1.726 -53.763 -22.830 9 HD2 PRO 2 HD2 PRO 2 -1.099 -51.840 -20.639 10 HD3 PRO 2 HD3 PRO 2 -2.383 -53.067 -20.736 11 H THR 3 H THR 3 3.030 -55.169 -20.824 12 HA THR 3 HA THR 3 4.318 -52.626 -20.128 13 HB THR 3 HB THR 3 5.478 -53.637 -18.216 14 HG21 THR 3 HG21 THR 3 3.067 -52.596 -18.112 15 HG22 THR 3 HG22 THR 3 3.708 -53.443 -16.703 16 HG23 THR 3 HG23 THR 3 2.570 -54.256 -17.779 17 H THR 4 H THR 4 6.712 -52.811 -20.184 18 HA THR 4 HA THR 4 7.513 -54.673 -22.325 19 HB THR 4 HB THR 4 9.586 -52.963 -22.178 20 HG21 THR 4 HG21 THR 4 8.202 -53.423 -24.170 21 HG22 THR 4 HG22 THR 4 8.482 -51.692 -23.982 22 HG23 THR 4 HG23 THR 4 6.928 -52.389 -23.523 23 H THR 5 H THR 5 9.731 -55.540 -22.216 24 HA THR 5 HA THR 5 10.241 -56.645 -19.584 25 HB THR 5 HB THR 5 10.821 -58.354 -20.927 26 HG1 THR 5 HG1 THR 5 12.951 -58.134 -21.864 27 HG21 THR 5 HG21 THR 5 9.707 -57.318 -22.826 28 HG22 THR 5 HG22 THR 5 11.223 -58.034 -23.372 29 HG23 THR 5 HG23 THR 5 11.109 -56.291 -23.129 30 HA PRO 6 HA PRO 6 13.445 -54.169 -17.959 31 HB2 PRO 6 HB2 PRO 6 15.551 -56.127 -18.094 32 HB3 PRO 6 HB3 PRO 6 14.604 -55.634 -16.682 33 HG2 PRO 6 HG2 PRO 6 14.321 -57.991 -18.382 34 HG3 PRO 6 HG3 PRO 6 13.704 -57.693 -16.752 35 HD2 PRO 6 HD2 PRO 6 12.093 -57.798 -18.965 36 HD3 PRO 6 HD3 PRO 6 11.702 -56.833 -17.522 37 H LEU 7 H LEU 7 13.865 -52.640 -19.527 38 HA LEU 7 HA LEU 7 15.286 -53.234 -21.948 39 HB2 LEU 7 HB2 LEU 7 13.807 -51.043 -20.881 40 HB3 LEU 7 HB3 LEU 7 15.403 -50.449 -21.343 41 HG LEU 7 HG LEU 7 13.602 -52.114 -23.128 42 HD11 LEU 7 HD11 LEU 7 13.711 -49.248 -22.555 43 HD12 LEU 7 HD12 LEU 7 12.501 -50.165 -23.452 44 HD13 LEU 7 HD13 LEU 7 13.961 -49.600 -24.264 45 HD21 LEU 7 HD21 LEU 7 15.441 -52.356 -24.406 46 HD22 LEU 7 HD22 LEU 7 16.393 -51.489 -23.202 47 HD23 LEU 7 HD23 LEU 7 15.603 -50.602 -24.505 48 H LYS 8 H LYS 8 17.416 -53.014 -22.412 49 HA LYS 8 HA LYS 8 19.250 -52.758 -20.177 50 HB2 LYS 8 HB2 LYS 8 19.404 -54.389 -22.207 51 HB3 LYS 8 HB3 LYS 8 20.099 -53.001 -23.046 52 HG2 LYS 8 HG2 LYS 8 21.694 -52.773 -21.063 53 HG3 LYS 8 HG3 LYS 8 21.131 -54.366 -20.554 54 HD2 LYS 8 HD2 LYS 8 21.815 -55.309 -22.729 55 HD3 LYS 8 HD3 LYS 8 22.379 -53.717 -23.242 56 HE2 LYS 8 HE2 LYS 8 24.298 -54.956 -22.448 57 HE3 LYS 8 HE3 LYS 8 23.930 -53.712 -21.255 58 HZ1 LYS 8 HZ1 LYS 8 24.236 -55.656 -20.028 59 HZ2 LYS 8 HZ2 LYS 8 23.355 -56.609 -21.124 60 HZ3 LYS 8 HZ3 LYS 8 22.551 -55.494 -20.126 61 HN1 NH2 9 HN1 NH2 9 18.641 -50.804 -23.208 62 HN2 NH2 9 HN2 NH2 9 20.049 -49.888 -22.964 63 H1 A2G 10 H1 A2G 10 6.614 -55.544 -18.840 64 H2 A2G 10 H2 A2G 10 6.879 -57.854 -18.052 65 HN2 A2G 10 HN2 A2G 10 4.622 -57.650 -19.958 66 H3 A2G 10 H3 A2G 10 3.895 -57.776 -17.529 67 HO3 A2G 10 HO3 A2G 10 4.376 -59.819 -17.911 68 H4 A2G 10 H4 A2G 10 4.451 -57.852 -15.169 69 HO4 A2G 10 HO4 A2G 10 7.094 -57.984 -16.160 70 H5 A2G 10 H5 A2G 10 4.334 -55.602 -16.138 71 H6 A2G 10 H6 A2G 10 6.777 -55.249 -14.522 72 H8 A2G 10 H8 A2G 10 5.377 -59.792 -21.823 73 H8A A2G 10 H8A A2G 10 6.718 -58.864 -22.494 74 H8B A2G 10 H8B A2G 10 5.185 -58.068 -22.136 75 H14 A2G 10 H14 A2G 10 5.153 -54.615 -14.255 76 H15 A2G 10 H15 A2G 10 6.055 -57.252 -13.736 77 H1 A2G 11 H1 A2G 11 10.209 -51.156 -21.336 78 H2 A2G 11 H2 A2G 11 9.831 -48.977 -20.265 79 HN2 A2G 11 HN2 A2G 11 8.525 -51.214 -18.830 80 H3 A2G 11 H3 A2G 11 6.904 -49.762 -20.268 81 HO3 A2G 11 HO3 A2G 11 7.607 -47.181 -19.784 82 H4 A2G 11 H4 A2G 11 6.592 -47.978 -21.889 83 HO4 A2G 11 HO4 A2G 11 9.022 -47.281 -21.013 84 H5 A2G 11 H5 A2G 11 7.144 -50.186 -22.811 85 H6 A2G 11 H6 A2G 11 7.868 -49.481 -24.984 86 H8 A2G 11 H8 A2G 11 9.786 -51.981 -17.039 87 H8A A2G 11 H8A A2G 11 9.217 -50.609 -16.089 88 H8B A2G 11 H8B A2G 11 10.947 -50.883 -16.291 89 H14 A2G 11 H14 A2G 11 6.992 -48.111 -24.300 90 H15 A2G 11 H15 A2G 11 8.798 -47.153 -24.883 Start of MODEL 20 1 H1 ACE 1 H1 ACE 1 -2.104 -53.413 -18.509 2 H2 ACE 1 H2 ACE 1 -1.342 -53.870 -16.985 3 H3 ACE 1 H3 ACE 1 -2.239 -55.069 -17.917 4 HA PRO 2 HA PRO 2 1.164 -56.558 -20.228 5 HB2 PRO 2 HB2 PRO 2 0.472 -55.472 -22.804 6 HB3 PRO 2 HB3 PRO 2 0.257 -57.129 -22.222 7 HG2 PRO 2 HG2 PRO 2 -1.690 -54.964 -22.435 8 HG3 PRO 2 HG3 PRO 2 -1.950 -56.707 -22.284 9 HD2 PRO 2 HD2 PRO 2 -2.491 -54.932 -20.268 10 HD3 PRO 2 HD3 PRO 2 -2.039 -56.628 -19.976 11 H THR 3 H THR 3 3.029 -55.540 -19.686 12 HA THR 3 HA THR 3 3.495 -52.788 -20.595 13 HB THR 3 HB THR 3 5.542 -52.995 -19.109 14 HG21 THR 3 HG21 THR 3 3.012 -53.636 -17.600 15 HG22 THR 3 HG22 THR 3 3.193 -52.106 -18.458 16 HG23 THR 3 HG23 THR 3 4.306 -52.523 -17.156 17 H THR 4 H THR 4 6.276 -52.824 -20.683 18 HA THR 4 HA THR 4 6.704 -54.271 -23.209 19 HB THR 4 HB THR 4 8.852 -52.659 -23.036 20 HG21 THR 4 HG21 THR 4 7.189 -52.695 -24.860 21 HG22 THR 4 HG22 THR 4 7.572 -51.039 -24.387 22 HG23 THR 4 HG23 THR 4 6.065 -51.785 -23.852 23 H THR 5 H THR 5 9.448 -54.333 -23.287 24 HA THR 5 HA THR 5 10.000 -56.566 -21.521 25 HB THR 5 HB THR 5 11.529 -57.162 -23.072 26 HG1 THR 5 HG1 THR 5 12.301 -54.469 -22.849 27 HG21 THR 5 HG21 THR 5 11.074 -56.355 -25.275 28 HG22 THR 5 HG22 THR 5 10.527 -54.794 -24.662 29 HG23 THR 5 HG23 THR 5 9.552 -56.239 -24.390 30 HA PRO 6 HA PRO 6 12.530 -54.479 -18.595 31 HB2 PRO 6 HB2 PRO 6 14.764 -56.296 -18.695 32 HB3 PRO 6 HB3 PRO 6 13.432 -56.261 -17.530 33 HG2 PRO 6 HG2 PRO 6 13.870 -58.236 -19.410 34 HG3 PRO 6 HG3 PRO 6 12.345 -57.935 -18.567 35 HD2 PRO 6 HD2 PRO 6 13.127 -57.222 -21.355 36 HD3 PRO 6 HD3 PRO 6 11.521 -57.604 -20.692 37 H LEU 7 H LEU 7 14.768 -53.566 -18.126 38 HA LEU 7 HA LEU 7 15.674 -52.095 -20.418 39 HB2 LEU 7 HB2 LEU 7 16.404 -52.196 -17.515 40 HB3 LEU 7 HB3 LEU 7 17.490 -51.397 -18.651 41 HG LEU 7 HG LEU 7 15.652 -49.963 -19.428 42 HD11 LEU 7 HD11 LEU 7 13.501 -50.035 -18.080 43 HD12 LEU 7 HD12 LEU 7 14.056 -51.573 -17.420 44 HD13 LEU 7 HD13 LEU 7 13.755 -51.413 -19.150 45 HD21 LEU 7 HD21 LEU 7 16.215 -50.101 -16.466 46 HD22 LEU 7 HD22 LEU 7 15.173 -48.845 -17.132 47 HD23 LEU 7 HD23 LEU 7 16.854 -48.966 -17.655 48 H LYS 8 H LYS 8 18.064 -51.931 -20.898 49 HA LYS 8 HA LYS 8 19.061 -54.595 -21.474 50 HB2 LYS 8 HB2 LYS 8 19.161 -52.283 -22.871 51 HB3 LYS 8 HB3 LYS 8 20.738 -52.230 -22.080 52 HG2 LYS 8 HG2 LYS 8 19.659 -54.537 -23.729 53 HG3 LYS 8 HG3 LYS 8 20.904 -53.396 -24.240 54 HD2 LYS 8 HD2 LYS 8 22.092 -54.158 -22.010 55 HD3 LYS 8 HD3 LYS 8 21.064 -55.580 -22.189 56 HE2 LYS 8 HE2 LYS 8 23.079 -56.121 -23.338 57 HE3 LYS 8 HE3 LYS 8 21.920 -55.707 -24.602 58 HZ1 LYS 8 HZ1 LYS 8 23.318 -54.151 -25.279 59 HZ2 LYS 8 HZ2 LYS 8 24.379 -54.473 -23.990 60 HZ3 LYS 8 HZ3 LYS 8 23.126 -53.341 -23.800 61 HN1 NH2 9 HN1 NH2 9 20.574 -55.622 -19.703 62 HN2 NH2 9 HN2 NH2 9 22.033 -54.804 -19.992 63 H1 A2G 10 H1 A2G 10 6.966 -54.559 -18.892 64 H2 A2G 10 H2 A2G 10 7.711 -56.552 -17.661 65 HN2 A2G 10 HN2 A2G 10 5.531 -57.256 -19.536 66 H3 A2G 10 H3 A2G 10 4.764 -57.022 -17.133 67 HO3 A2G 10 HO3 A2G 10 5.496 -58.797 -16.055 68 H4 A2G 10 H4 A2G 10 5.268 -56.536 -14.805 69 HO4 A2G 10 HO4 A2G 10 7.262 -56.281 -14.109 70 H5 A2G 10 H5 A2G 10 4.668 -54.608 -16.203 71 H6 A2G 10 H6 A2G 10 6.951 -53.481 -14.666 72 H8 A2G 10 H8 A2G 10 6.757 -59.407 -21.001 73 H8A A2G 10 H8A A2G 10 7.964 -58.413 -21.818 74 H8B A2G 10 H8B A2G 10 6.305 -57.834 -21.659 75 H14 A2G 10 H14 A2G 10 5.241 -53.049 -14.618 76 H15 A2G 10 H15 A2G 10 6.646 -54.867 -13.124 77 H1 A2G 11 H1 A2G 11 9.666 -51.065 -21.958 78 H2 A2G 11 H2 A2G 11 9.536 -49.130 -20.450 79 HN2 A2G 11 HN2 A2G 11 8.317 -51.562 -19.278 80 H3 A2G 11 H3 A2G 11 6.602 -49.845 -20.189 81 HO3 A2G 11 HO3 A2G 11 7.891 -47.519 -19.280 82 H4 A2G 11 H4 A2G 11 6.157 -47.774 -21.379 83 HO4 A2G 11 HO4 A2G 11 7.866 -46.539 -22.159 84 H5 A2G 11 H5 A2G 11 6.478 -49.769 -22.773 85 H6 A2G 11 H6 A2G 11 6.857 -48.666 -24.839 86 H8 A2G 11 H8 A2G 11 9.636 -52.669 -17.787 87 H8A A2G 11 H8A A2G 11 9.492 -51.399 -16.571 88 H8B A2G 11 H8B A2G 11 11.084 -51.881 -17.158 89 H14 A2G 11 H14 A2G 11 6.266 -47.392 -23.772 90 H15 A2G 11 H15 A2G 11 8.340 -46.681 -23.477 Start of MODEL 21 1 H1 ACE 1 H1 ACE 1 -1.664 -50.823 -19.863 2 H2 ACE 1 H2 ACE 1 -1.783 -51.493 -18.235 3 H3 ACE 1 H3 ACE 1 -2.650 -52.255 -19.567 4 HA PRO 2 HA PRO 2 0.501 -55.085 -20.668 5 HB2 PRO 2 HB2 PRO 2 1.332 -53.897 -23.158 6 HB3 PRO 2 HB3 PRO 2 0.281 -55.300 -22.911 7 HG2 PRO 2 HG2 PRO 2 -0.420 -52.534 -23.533 8 HG3 PRO 2 HG3 PRO 2 -1.378 -54.012 -23.712 9 HD2 PRO 2 HD2 PRO 2 -1.908 -52.105 -21.818 10 HD3 PRO 2 HD3 PRO 2 -2.303 -53.825 -21.603 11 H THR 3 H THR 3 2.450 -55.151 -19.717 12 HA THR 3 HA THR 3 4.123 -52.739 -19.690 13 HB THR 3 HB THR 3 5.325 -53.814 -17.868 14 HG21 THR 3 HG21 THR 3 2.565 -53.163 -17.835 15 HG22 THR 3 HG22 THR 3 3.685 -53.161 -16.473 16 HG23 THR 3 HG23 THR 3 2.755 -54.612 -16.847 17 H THR 4 H THR 4 6.431 -52.931 -20.065 18 HA THR 4 HA THR 4 7.014 -54.898 -22.182 19 HB THR 4 HB THR 4 8.891 -53.325 -22.749 20 HG21 THR 4 HG21 THR 4 7.508 -51.949 -24.014 21 HG22 THR 4 HG22 THR 4 6.354 -51.730 -22.699 22 HG23 THR 4 HG23 THR 4 6.388 -53.246 -23.599 23 H THR 5 H THR 5 9.349 -55.596 -22.285 24 HA THR 5 HA THR 5 10.091 -56.690 -19.707 25 HB THR 5 HB THR 5 12.070 -57.524 -21.313 26 HG1 THR 5 HG1 THR 5 11.620 -56.622 -23.186 27 HG21 THR 5 HG21 THR 5 10.321 -59.346 -22.041 28 HG22 THR 5 HG22 THR 5 9.243 -58.467 -20.957 29 HG23 THR 5 HG23 THR 5 10.737 -59.168 -20.337 30 HA PRO 6 HA PRO 6 13.136 -53.934 -18.233 31 HB2 PRO 6 HB2 PRO 6 15.330 -55.799 -18.292 32 HB3 PRO 6 HB3 PRO 6 14.370 -55.283 -16.898 33 HG2 PRO 6 HG2 PRO 6 14.185 -57.728 -18.483 34 HG3 PRO 6 HG3 PRO 6 13.565 -57.383 -16.862 35 HD2 PRO 6 HD2 PRO 6 11.946 -57.665 -19.053 36 HD3 PRO 6 HD3 PRO 6 11.520 -56.653 -17.655 37 H LEU 7 H LEU 7 14.687 -52.533 -19.029 38 HA LEU 7 HA LEU 7 15.207 -52.618 -21.849 39 HB2 LEU 7 HB2 LEU 7 16.773 -50.757 -20.165 40 HB3 LEU 7 HB3 LEU 7 15.817 -50.439 -21.614 41 HG LEU 7 HG LEU 7 13.786 -51.016 -20.029 42 HD11 LEU 7 HD11 LEU 7 14.140 -50.919 -17.771 43 HD12 LEU 7 HD12 LEU 7 15.428 -49.724 -17.922 44 HD13 LEU 7 HD13 LEU 7 15.767 -51.429 -18.223 45 HD21 LEU 7 HD21 LEU 7 13.677 -48.597 -19.404 46 HD22 LEU 7 HD22 LEU 7 14.113 -48.842 -21.096 47 HD23 LEU 7 HD23 LEU 7 15.356 -48.421 -19.917 48 H LYS 8 H LYS 8 17.597 -51.999 -22.501 49 HA LYS 8 HA LYS 8 19.216 -54.288 -21.746 50 HB2 LYS 8 HB2 LYS 8 20.818 -53.055 -23.442 51 HB3 LYS 8 HB3 LYS 8 19.396 -53.924 -24.025 52 HG2 LYS 8 HG2 LYS 8 19.593 -51.647 -25.022 53 HG3 LYS 8 HG3 LYS 8 18.109 -51.848 -24.088 54 HD2 LYS 8 HD2 LYS 8 18.954 -50.595 -22.262 55 HD3 LYS 8 HD3 LYS 8 20.615 -50.711 -22.846 56 HE2 LYS 8 HE2 LYS 8 18.401 -49.256 -24.318 57 HE3 LYS 8 HE3 LYS 8 19.565 -48.465 -23.255 58 HZ1 LYS 8 HZ1 LYS 8 19.880 -49.197 -25.941 59 HZ2 LYS 8 HZ2 LYS 8 20.978 -50.105 -25.016 60 HZ3 LYS 8 HZ3 LYS 8 20.989 -48.408 -24.928 61 HN1 NH2 9 HN1 NH2 9 21.793 -53.706 -20.950 62 HN2 NH2 9 HN2 NH2 9 22.118 -52.075 -21.289 63 H1 A2G 10 H1 A2G 10 6.424 -55.649 -18.663 64 H2 A2G 10 H2 A2G 10 6.765 -58.016 -18.098 65 HN2 A2G 10 HN2 A2G 10 4.429 -57.569 -19.861 66 H3 A2G 10 H3 A2G 10 3.824 -58.017 -17.368 67 HO3 A2G 10 HO3 A2G 10 5.755 -59.918 -17.827 68 H4 A2G 10 H4 A2G 10 4.547 -58.301 -15.069 69 HO4 A2G 10 HO4 A2G 10 6.753 -58.274 -14.576 70 H5 A2G 10 H5 A2G 10 4.347 -55.974 -15.818 71 H6 A2G 10 H6 A2G 10 6.933 -56.052 -14.281 72 H8 A2G 10 H8 A2G 10 4.713 -59.584 -21.805 73 H8A A2G 10 H8A A2G 10 6.260 -59.088 -22.494 74 H8B A2G 10 H8B A2G 10 5.022 -57.881 -22.146 75 H14 A2G 10 H14 A2G 10 5.543 -54.991 -14.058 76 H15 A2G 10 H15 A2G 10 5.968 -56.949 -12.593 77 H1 A2G 11 H1 A2G 11 10.323 -52.503 -21.315 78 H2 A2G 11 H2 A2G 11 11.052 -50.448 -20.180 79 HN2 A2G 11 HN2 A2G 11 8.859 -51.839 -18.758 80 H3 A2G 11 H3 A2G 11 8.106 -49.739 -20.110 81 HO3 A2G 11 HO3 A2G 11 8.869 -47.873 -19.149 82 H4 A2G 11 H4 A2G 11 8.660 -47.966 -21.676 83 HO4 A2G 11 HO4 A2G 11 10.724 -47.465 -21.204 84 H5 A2G 11 H5 A2G 11 8.073 -50.133 -22.667 85 H6 A2G 11 H6 A2G 11 9.107 -49.829 -24.846 86 H8 A2G 11 H8 A2G 11 9.816 -53.308 -17.054 87 H8A A2G 11 H8A A2G 11 9.624 -51.817 -16.131 88 H8B A2G 11 H8B A2G 11 11.189 -52.630 -16.179 89 H14 A2G 11 H14 A2G 11 8.821 -48.236 -24.143 90 H15 A2G 11 H15 A2G 11 10.886 -48.162 -24.804 Start of MODEL 22 1 H1 ACE 1 H1 ACE 1 -2.009 -54.031 -17.678 2 H2 ACE 1 H2 ACE 1 -1.578 -55.695 -17.283 3 H3 ACE 1 H3 ACE 1 -2.714 -55.364 -18.592 4 HA PRO 2 HA PRO 2 0.592 -54.722 -21.456 5 HB2 PRO 2 HB2 PRO 2 0.354 -51.907 -22.033 6 HB3 PRO 2 HB3 PRO 2 -0.290 -53.274 -22.956 7 HG2 PRO 2 HG2 PRO 2 -1.796 -51.424 -21.561 8 HG3 PRO 2 HG3 PRO 2 -2.352 -53.017 -22.095 9 HD2 PRO 2 HD2 PRO 2 -1.515 -52.129 -19.373 10 HD3 PRO 2 HD3 PRO 2 -2.691 -53.377 -19.845 11 H THR 3 H THR 3 2.693 -54.822 -20.922 12 HA THR 3 HA THR 3 4.016 -52.425 -19.863 13 HB THR 3 HB THR 3 5.185 -53.753 -18.142 14 HG21 THR 3 HG21 THR 3 3.455 -53.663 -16.584 15 HG22 THR 3 HG22 THR 3 2.265 -54.298 -17.720 16 HG23 THR 3 HG23 THR 3 2.816 -52.629 -17.862 17 H THR 4 H THR 4 6.515 -53.184 -19.564 18 HA THR 4 HA THR 4 7.289 -54.746 -21.938 19 HB THR 4 HB THR 4 8.926 -53.052 -22.582 20 HG21 THR 4 HG21 THR 4 7.424 -51.661 -23.649 21 HG22 THR 4 HG22 THR 4 6.458 -51.417 -22.194 22 HG23 THR 4 HG23 THR 4 6.310 -52.917 -23.110 23 H THR 5 H THR 5 9.439 -55.594 -21.850 24 HA THR 5 HA THR 5 10.258 -56.257 -19.150 25 HB THR 5 HB THR 5 10.451 -57.486 -21.687 26 HG1 THR 5 HG1 THR 5 11.262 -59.176 -20.381 27 HG21 THR 5 HG21 THR 5 12.829 -58.009 -21.844 28 HG22 THR 5 HG22 THR 5 13.168 -57.008 -20.433 29 HG23 THR 5 HG23 THR 5 12.607 -56.262 -21.930 30 HA PRO 6 HA PRO 6 13.437 -53.393 -18.300 31 HB2 PRO 6 HB2 PRO 6 15.562 -55.325 -18.076 32 HB3 PRO 6 HB3 PRO 6 14.671 -54.522 -16.774 33 HG2 PRO 6 HG2 PRO 6 14.343 -57.208 -17.873 34 HG3 PRO 6 HG3 PRO 6 13.795 -56.544 -16.327 35 HD2 PRO 6 HD2 PRO 6 12.089 -57.158 -18.381 36 HD3 PRO 6 HD3 PRO 6 11.750 -55.889 -17.182 37 H LEU 7 H LEU 7 13.773 -52.264 -20.193 38 HA LEU 7 HA LEU 7 15.090 -53.397 -22.476 39 HB2 LEU 7 HB2 LEU 7 13.423 -51.523 -22.578 40 HB3 LEU 7 HB3 LEU 7 14.636 -50.474 -21.846 41 HG LEU 7 HG LEU 7 16.190 -51.043 -23.724 42 HD11 LEU 7 HD11 LEU 7 13.873 -52.770 -24.413 43 HD12 LEU 7 HD12 LEU 7 15.591 -53.009 -24.736 44 HD13 LEU 7 HD13 LEU 7 14.642 -51.933 -25.762 45 HD21 LEU 7 HD21 LEU 7 14.312 -49.993 -25.474 46 HD22 LEU 7 HD22 LEU 7 15.321 -49.052 -24.376 47 HD23 LEU 7 HD23 LEU 7 13.690 -49.516 -23.894 48 H LYS 8 H LYS 8 17.186 -53.173 -23.147 49 HA LYS 8 HA LYS 8 19.046 -51.472 -21.711 50 HB2 LYS 8 HB2 LYS 8 18.756 -54.279 -21.042 51 HB3 LYS 8 HB3 LYS 8 20.378 -53.931 -21.642 52 HG2 LYS 8 HG2 LYS 8 19.004 -52.266 -19.517 53 HG3 LYS 8 HG3 LYS 8 20.083 -53.612 -19.145 54 HD2 LYS 8 HD2 LYS 8 21.909 -52.354 -19.546 55 HD3 LYS 8 HD3 LYS 8 21.277 -51.836 -21.108 56 HE2 LYS 8 HE2 LYS 8 19.952 -50.090 -20.045 57 HE3 LYS 8 HE3 LYS 8 20.438 -50.653 -18.446 58 HZ1 LYS 8 HZ1 LYS 8 22.310 -49.663 -20.527 59 HZ2 LYS 8 HZ2 LYS 8 22.704 -50.096 -18.933 60 HZ3 LYS 8 HZ3 LYS 8 21.735 -48.734 -19.230 61 HN1 NH2 9 HN1 NH2 9 20.848 -51.028 -24.079 62 HN2 NH2 9 HN2 NH2 9 19.232 -50.899 -24.582 63 H1 A2G 10 H1 A2G 10 6.217 -55.609 -19.040 64 H2 A2G 10 H2 A2G 10 6.366 -58.016 -18.565 65 HN2 A2G 10 HN2 A2G 10 4.106 -57.464 -20.396 66 H3 A2G 10 H3 A2G 10 3.396 -57.833 -17.991 67 HO3 A2G 10 HO3 A2G 10 4.423 -59.789 -18.934 68 H4 A2G 10 H4 A2G 10 3.978 -58.284 -15.676 69 HO4 A2G 10 HO4 A2G 10 5.783 -59.375 -15.561 70 H5 A2G 10 H5 A2G 10 3.954 -55.921 -16.340 71 H6 A2G 10 H6 A2G 10 6.439 -56.110 -14.680 72 H8 A2G 10 H8 A2G 10 4.677 -59.247 -22.546 73 H8A A2G 10 H8A A2G 10 6.158 -58.463 -23.100 74 H8B A2G 10 H8B A2G 10 4.756 -57.488 -22.657 75 H14 A2G 10 H14 A2G 10 4.998 -55.123 -14.429 76 H15 A2G 10 H15 A2G 10 4.473 -56.627 -13.075 77 H1 A2G 11 H1 A2G 11 10.493 -52.393 -21.144 78 H2 A2G 11 H2 A2G 11 11.357 -50.389 -20.016 79 HN2 A2G 11 HN2 A2G 11 9.193 -51.698 -18.477 80 H3 A2G 11 H3 A2G 11 8.448 -49.580 -19.762 81 HO3 A2G 11 HO3 A2G 11 9.274 -47.831 -18.731 82 H4 A2G 11 H4 A2G 11 8.973 -47.795 -21.325 83 HO4 A2G 11 HO4 A2G 11 10.958 -47.311 -21.792 84 H5 A2G 11 H5 A2G 11 8.254 -49.922 -22.320 85 H6 A2G 11 H6 A2G 11 8.826 -49.358 -24.486 86 H8 A2G 11 H8 A2G 11 9.825 -52.901 -16.705 87 H8A A2G 11 H8A A2G 11 10.552 -51.595 -15.770 88 H8B A2G 11 H8B A2G 11 11.531 -52.976 -16.262 89 H14 A2G 11 H14 A2G 11 9.369 -47.891 -23.672 90 H15 A2G 11 H15 A2G 11 10.895 -50.118 -24.501 Start of MODEL 23 1 H1 ACE 1 H1 ACE 1 -1.247 -49.823 -19.229 2 H2 ACE 1 H2 ACE 1 -2.112 -50.807 -20.410 3 H3 ACE 1 H3 ACE 1 -0.853 -49.694 -20.943 4 HA PRO 2 HA PRO 2 0.546 -54.278 -20.219 5 HB2 PRO 2 HB2 PRO 2 1.817 -54.024 -22.792 6 HB3 PRO 2 HB3 PRO 2 0.503 -55.114 -22.322 7 HG2 PRO 2 HG2 PRO 2 0.393 -52.585 -23.779 8 HG3 PRO 2 HG3 PRO 2 -0.803 -53.885 -23.680 9 HD2 PRO 2 HD2 PRO 2 -1.145 -51.445 -22.483 10 HD3 PRO 2 HD3 PRO 2 -1.873 -52.944 -21.861 11 H THR 3 H THR 3 2.629 -54.787 -19.575 12 HA THR 3 HA THR 3 4.502 -52.530 -19.428 13 HB THR 3 HB THR 3 5.625 -53.817 -17.691 14 HG21 THR 3 HG21 THR 3 2.966 -52.887 -17.567 15 HG22 THR 3 HG22 THR 3 4.065 -53.146 -16.211 16 HG23 THR 3 HG23 THR 3 2.972 -54.434 -16.719 17 H THR 4 H THR 4 6.807 -52.946 -19.783 18 HA THR 4 HA THR 4 7.194 -54.769 -22.068 19 HB THR 4 HB THR 4 9.234 -53.373 -22.495 20 HG21 THR 4 HG21 THR 4 8.023 -51.762 -23.634 21 HG22 THR 4 HG22 THR 4 6.936 -51.472 -22.275 22 HG23 THR 4 HG23 THR 4 6.732 -52.910 -23.277 23 H THR 5 H THR 5 9.335 -55.826 -22.227 24 HA THR 5 HA THR 5 9.976 -57.123 -19.715 25 HB THR 5 HB THR 5 10.271 -58.790 -21.196 26 HG1 THR 5 HG1 THR 5 12.344 -58.932 -21.307 27 HG21 THR 5 HG21 THR 5 10.562 -56.628 -23.299 28 HG22 THR 5 HG22 THR 5 9.104 -57.551 -22.931 29 HG23 THR 5 HG23 THR 5 10.500 -58.356 -23.648 30 HA PRO 6 HA PRO 6 13.518 -55.029 -18.269 31 HB2 PRO 6 HB2 PRO 6 15.418 -57.152 -18.686 32 HB3 PRO 6 HB3 PRO 6 14.642 -56.660 -17.174 33 HG2 PRO 6 HG2 PRO 6 14.002 -58.882 -18.956 34 HG3 PRO 6 HG3 PRO 6 13.555 -58.626 -17.263 35 HD2 PRO 6 HD2 PRO 6 11.759 -58.463 -19.326 36 HD3 PRO 6 HD3 PRO 6 11.582 -57.553 -17.809 37 H LEU 7 H LEU 7 13.886 -53.468 -19.835 38 HA LEU 7 HA LEU 7 16.214 -53.797 -21.477 39 HB2 LEU 7 HB2 LEU 7 14.432 -54.917 -22.857 40 HB3 LEU 7 HB3 LEU 7 13.600 -53.364 -22.936 41 HG LEU 7 HG LEU 7 16.269 -52.797 -23.600 42 HD11 LEU 7 HD11 LEU 7 16.546 -55.269 -23.919 43 HD12 LEU 7 HD12 LEU 7 16.783 -54.347 -25.403 44 HD13 LEU 7 HD13 LEU 7 15.271 -55.215 -25.136 45 HD21 LEU 7 HD21 LEU 7 15.293 -52.322 -25.825 46 HD22 LEU 7 HD22 LEU 7 14.245 -51.737 -24.532 47 HD23 LEU 7 HD23 LEU 7 13.849 -53.231 -25.380 48 H LYS 8 H LYS 8 17.080 -51.948 -20.684 49 HA LYS 8 HA LYS 8 15.500 -49.526 -20.444 50 HB2 LYS 8 HB2 LYS 8 17.606 -48.534 -19.612 51 HB3 LYS 8 HB3 LYS 8 17.202 -50.022 -18.757 52 HG2 LYS 8 HG2 LYS 8 19.254 -50.780 -19.297 53 HG3 LYS 8 HG3 LYS 8 18.700 -50.863 -20.969 54 HD2 LYS 8 HD2 LYS 8 19.387 -48.498 -21.293 55 HD3 LYS 8 HD3 LYS 8 20.002 -48.469 -19.641 56 HE2 LYS 8 HE2 LYS 8 21.836 -48.912 -21.210 57 HE3 LYS 8 HE3 LYS 8 21.548 -50.327 -20.198 58 HZ1 LYS 8 HZ1 LYS 8 20.415 -51.407 -21.930 59 HZ2 LYS 8 HZ2 LYS 8 21.803 -50.744 -22.652 60 HZ3 LYS 8 HZ3 LYS 8 20.293 -49.994 -22.858 61 HN1 NH2 9 HN1 NH2 9 16.059 -47.621 -22.861 62 HN2 NH2 9 HN2 NH2 9 17.284 -47.377 -21.711 63 H1 A2G 10 H1 A2G 10 6.539 -55.718 -18.624 64 H2 A2G 10 H2 A2G 10 6.665 -58.121 -18.119 65 HN2 A2G 10 HN2 A2G 10 4.300 -57.492 -19.786 66 H3 A2G 10 H3 A2G 10 3.758 -57.850 -17.310 67 HO3 A2G 10 HO3 A2G 10 5.186 -60.075 -16.631 68 H4 A2G 10 H4 A2G 10 4.515 -58.279 -15.041 69 HO4 A2G 10 HO4 A2G 10 6.310 -59.353 -14.957 70 H5 A2G 10 H5 A2G 10 4.495 -55.926 -15.745 71 H6 A2G 10 H6 A2G 10 7.101 -56.099 -14.300 72 H8 A2G 10 H8 A2G 10 4.569 -59.567 -21.780 73 H8A A2G 10 H8A A2G 10 5.970 -58.851 -22.578 74 H8B A2G 10 H8B A2G 10 4.630 -57.827 -22.061 75 H14 A2G 10 H14 A2G 10 5.665 -55.149 -13.915 76 H15 A2G 10 H15 A2G 10 4.797 -56.814 -12.906 77 H1 A2G 11 H1 A2G 11 10.733 -52.922 -20.930 78 H2 A2G 11 H2 A2G 11 11.713 -51.074 -19.642 79 HN2 A2G 11 HN2 A2G 11 9.303 -52.224 -18.363 80 H3 A2G 11 H3 A2G 11 8.897 -49.953 -19.580 81 HO3 A2G 11 HO3 A2G 11 11.372 -49.253 -18.439 82 H4 A2G 11 H4 A2G 11 9.744 -48.178 -21.008 83 HO4 A2G 11 HO4 A2G 11 12.151 -49.559 -21.366 84 H5 A2G 11 H5 A2G 11 8.884 -50.168 -22.159 85 H6 A2G 11 H6 A2G 11 10.231 -49.976 -24.276 86 H8 A2G 11 H8 A2G 11 10.138 -54.039 -16.791 87 H8A A2G 11 H8A A2G 11 9.871 -52.591 -15.821 88 H8B A2G 11 H8B A2G 11 11.420 -53.430 -15.745 89 H14 A2G 11 H14 A2G 11 9.760 -48.417 -23.602 90 H15 A2G 11 H15 A2G 11 11.811 -48.230 -22.702 Start of MODEL 24 1 H1 ACE 1 H1 ACE 1 -2.717 -55.656 -19.520 2 H2 ACE 1 H2 ACE 1 -2.459 -53.913 -19.583 3 H3 ACE 1 H3 ACE 1 -2.191 -54.790 -18.077 4 HA PRO 2 HA PRO 2 1.283 -56.660 -20.987 5 HB2 PRO 2 HB2 PRO 2 1.383 -54.904 -23.268 6 HB3 PRO 2 HB3 PRO 2 1.054 -56.642 -23.239 7 HG2 PRO 2 HG2 PRO 2 -0.803 -54.401 -23.457 8 HG3 PRO 2 HG3 PRO 2 -1.040 -56.107 -23.859 9 HD2 PRO 2 HD2 PRO 2 -2.235 -54.896 -21.712 10 HD3 PRO 2 HD3 PRO 2 -1.839 -56.630 -21.755 11 H THR 3 H THR 3 3.069 -55.992 -19.955 12 HA THR 3 HA THR 3 3.565 -53.118 -19.625 13 HB THR 3 HB THR 3 5.206 -53.810 -17.934 14 HG21 THR 3 HG21 THR 3 3.000 -55.604 -17.179 15 HG22 THR 3 HG22 THR 3 2.466 -54.020 -17.746 16 HG23 THR 3 HG23 THR 3 3.580 -54.140 -16.384 17 H THR 4 H THR 4 6.112 -52.717 -19.503 18 HA THR 4 HA THR 4 7.399 -53.974 -21.837 19 HB THR 4 HB THR 4 8.119 -51.797 -22.675 20 HG21 THR 4 HG21 THR 4 5.253 -51.204 -22.284 21 HG22 THR 4 HG22 THR 4 5.592 -52.827 -22.886 22 HG23 THR 4 HG23 THR 4 6.164 -51.418 -23.779 23 H THR 5 H THR 5 9.575 -54.268 -21.642 24 HA THR 5 HA THR 5 11.109 -52.893 -19.604 25 HB THR 5 HB THR 5 10.622 -55.874 -19.396 26 HG1 THR 5 HG1 THR 5 9.746 -55.259 -17.385 27 HG21 THR 5 HG21 THR 5 12.708 -55.873 -18.522 28 HG22 THR 5 HG22 THR 5 11.992 -55.026 -17.151 29 HG23 THR 5 HG23 THR 5 12.762 -54.111 -18.446 30 HA PRO 6 HA PRO 6 13.466 -54.356 -23.313 31 HB2 PRO 6 HB2 PRO 6 14.300 -51.632 -23.751 32 HB3 PRO 6 HB3 PRO 6 13.259 -52.637 -24.771 33 HG2 PRO 6 HG2 PRO 6 12.449 -50.413 -23.347 34 HG3 PRO 6 HG3 PRO 6 11.385 -51.674 -23.986 35 HD2 PRO 6 HD2 PRO 6 12.324 -51.245 -21.189 36 HD3 PRO 6 HD3 PRO 6 10.805 -51.961 -21.776 37 H LEU 7 H LEU 7 14.074 -53.480 -20.298 38 HA LEU 7 HA LEU 7 16.800 -52.589 -20.403 39 HB2 LEU 7 HB2 LEU 7 14.808 -52.892 -18.418 40 HB3 LEU 7 HB3 LEU 7 16.171 -53.897 -17.925 41 HG LEU 7 HG LEU 7 17.688 -51.942 -18.334 42 HD11 LEU 7 HD11 LEU 7 15.342 -50.913 -19.565 43 HD12 LEU 7 HD12 LEU 7 16.911 -50.124 -19.408 44 HD13 LEU 7 HD13 LEU 7 15.679 -49.893 -18.167 45 HD21 LEU 7 HD21 LEU 7 17.214 -52.149 -16.068 46 HD22 LEU 7 HD22 LEU 7 15.479 -51.937 -16.307 47 HD23 LEU 7 HD23 LEU 7 16.558 -50.542 -16.381 48 H LYS 8 H LYS 8 18.677 -53.763 -20.037 49 HA LYS 8 HA LYS 8 18.569 -56.634 -19.639 50 HB2 LYS 8 HB2 LYS 8 19.989 -56.990 -21.746 51 HB3 LYS 8 HB3 LYS 8 18.260 -56.729 -21.981 52 HG2 LYS 8 HG2 LYS 8 18.554 -54.598 -22.836 53 HG3 LYS 8 HG3 LYS 8 20.060 -54.338 -21.954 54 HD2 LYS 8 HD2 LYS 8 20.479 -54.622 -24.375 55 HD3 LYS 8 HD3 LYS 8 21.218 -55.923 -23.441 56 HE2 LYS 8 HE2 LYS 8 19.425 -57.437 -23.991 57 HE3 LYS 8 HE3 LYS 8 18.482 -56.138 -24.722 58 HZ1 LYS 8 HZ1 LYS 8 21.172 -56.876 -25.708 59 HZ2 LYS 8 HZ2 LYS 8 19.976 -55.960 -26.495 60 HZ3 LYS 8 HZ3 LYS 8 19.767 -57.633 -26.282 61 HN1 NH2 9 HN1 NH2 9 21.472 -54.273 -18.551 62 HN2 NH2 9 HN2 NH2 9 19.834 -54.419 -18.127 63 H1 A2G 10 H1 A2G 10 6.890 -55.099 -18.944 64 H2 A2G 10 H2 A2G 10 8.065 -57.188 -18.395 65 HN2 A2G 10 HN2 A2G 10 5.694 -57.612 -20.116 66 H3 A2G 10 H3 A2G 10 5.332 -58.238 -17.616 67 HO3 A2G 10 HO3 A2G 10 6.685 -59.811 -18.441 68 H4 A2G 10 H4 A2G 10 6.147 -58.243 -15.331 69 HO4 A2G 10 HO4 A2G 10 8.255 -58.527 -15.366 70 H5 A2G 10 H5 A2G 10 5.119 -56.141 -16.064 71 H6 A2G 10 H6 A2G 10 7.543 -55.172 -14.607 72 H8 A2G 10 H8 A2G 10 6.768 -59.511 -22.018 73 H8A A2G 10 H8A A2G 10 7.854 -58.361 -22.798 74 H8B A2G 10 H8B A2G 10 6.217 -57.872 -22.362 75 H14 A2G 10 H14 A2G 10 5.838 -54.880 -14.263 76 H15 A2G 10 H15 A2G 10 7.413 -56.646 -13.140 77 H1 A2G 11 H1 A2G 11 9.213 -50.364 -21.729 78 H2 A2G 11 H2 A2G 11 9.441 -48.328 -20.371 79 HN2 A2G 11 HN2 A2G 11 8.453 -50.642 -18.810 80 H3 A2G 11 H3 A2G 11 6.613 -48.920 -19.456 81 HO3 A2G 11 HO3 A2G 11 7.949 -46.523 -19.008 82 H4 A2G 11 H4 A2G 11 5.970 -46.919 -20.677 83 HO4 A2G 11 HO4 A2G 11 8.246 -46.081 -20.387 84 H5 A2G 11 H5 A2G 11 5.952 -49.014 -21.956 85 H6 A2G 11 H6 A2G 11 6.129 -48.071 -24.207 86 H8 A2G 11 H8 A2G 11 10.304 -51.769 -17.746 87 H8A A2G 11 H8A A2G 11 9.977 -50.568 -16.496 88 H8B A2G 11 H8B A2G 11 11.603 -50.731 -17.159 89 H14 A2G 11 H14 A2G 11 5.436 -46.864 -23.125 90 H15 A2G 11 H15 A2G 11 8.200 -47.041 -23.699 Start of MODEL 25 1 H1 ACE 1 H1 ACE 1 -1.616 -51.344 -16.892 2 H2 ACE 1 H2 ACE 1 -0.483 -50.021 -17.169 3 H3 ACE 1 H3 ACE 1 -0.363 -50.991 -15.702 4 HA PRO 2 HA PRO 2 0.688 -54.273 -19.187 5 HB2 PRO 2 HB2 PRO 2 1.141 -52.723 -21.572 6 HB3 PRO 2 HB3 PRO 2 -0.054 -54.003 -21.308 7 HG2 PRO 2 HG2 PRO 2 -0.392 -51.102 -21.270 8 HG3 PRO 2 HG3 PRO 2 -1.604 -52.380 -21.448 9 HD2 PRO 2 HD2 PRO 2 -1.371 -50.843 -19.193 10 HD3 PRO 2 HD3 PRO 2 -1.998 -52.508 -19.175 11 H THR 3 H THR 3 2.777 -54.822 -18.950 12 HA THR 3 HA THR 3 4.792 -52.694 -18.785 13 HB THR 3 HB THR 3 6.197 -54.358 -17.702 14 HG21 THR 3 HG21 THR 3 5.080 -54.080 -15.762 15 HG22 THR 3 HG22 THR 3 3.775 -55.138 -16.298 16 HG23 THR 3 HG23 THR 3 3.747 -53.424 -16.712 17 H THR 4 H THR 4 7.062 -53.549 -19.560 18 HA THR 4 HA THR 4 6.792 -54.911 -22.158 19 HB THR 4 HB THR 4 8.658 -53.071 -22.795 20 HG21 THR 4 HG21 THR 4 6.845 -51.841 -23.932 21 HG22 THR 4 HG22 THR 4 5.655 -52.649 -22.912 22 HG23 THR 4 HG23 THR 4 6.604 -53.583 -24.068 23 H THR 5 H THR 5 9.016 -55.433 -23.067 24 HA THR 5 HA THR 5 10.547 -56.737 -20.979 25 HB THR 5 HB THR 5 11.594 -57.938 -22.703 26 HG1 THR 5 HG1 THR 5 12.365 -56.370 -24.003 27 HG21 THR 5 HG21 THR 5 9.106 -58.287 -22.560 28 HG22 THR 5 HG22 THR 5 9.795 -58.679 -24.135 29 HG23 THR 5 HG23 THR 5 8.926 -57.162 -23.906 30 HA PRO 6 HA PRO 6 13.317 -53.223 -20.814 31 HB2 PRO 6 HB2 PRO 6 14.658 -54.517 -18.615 32 HB3 PRO 6 HB3 PRO 6 13.550 -53.138 -18.564 33 HG2 PRO 6 HG2 PRO 6 13.025 -55.657 -17.561 34 HG3 PRO 6 HG3 PRO 6 11.814 -54.421 -17.934 35 HD2 PRO 6 HD2 PRO 6 12.563 -56.854 -19.490 36 HD3 PRO 6 HD3 PRO 6 10.999 -56.011 -19.387 37 H LEU 7 H LEU 7 15.855 -53.160 -20.378 38 HA LEU 7 HA LEU 7 17.365 -55.430 -21.265 39 HB2 LEU 7 HB2 LEU 7 16.275 -54.559 -23.396 40 HB3 LEU 7 HB3 LEU 7 17.264 -53.111 -23.194 41 HG LEU 7 HG LEU 7 19.106 -55.130 -22.836 42 HD11 LEU 7 HD11 LEU 7 17.219 -55.939 -25.071 43 HD12 LEU 7 HD12 LEU 7 17.411 -56.802 -23.545 44 HD13 LEU 7 HD13 LEU 7 18.756 -56.711 -24.682 45 HD21 LEU 7 HD21 LEU 7 18.311 -53.725 -25.407 46 HD22 LEU 7 HD22 LEU 7 19.864 -54.507 -25.117 47 HD23 LEU 7 HD23 LEU 7 19.402 -53.088 -24.177 48 H LYS 8 H LYS 8 17.639 -53.959 -19.004 49 HA LYS 8 HA LYS 8 20.313 -52.878 -19.326 50 HB2 LYS 8 HB2 LYS 8 18.004 -51.157 -18.404 51 HB3 LYS 8 HB3 LYS 8 19.697 -50.755 -18.108 52 HG2 LYS 8 HG2 LYS 8 20.033 -51.036 -20.640 53 HG3 LYS 8 HG3 LYS 8 18.274 -50.996 -20.761 54 HD2 LYS 8 HD2 LYS 8 18.737 -48.843 -19.141 55 HD3 LYS 8 HD3 LYS 8 20.168 -48.809 -20.171 56 HE2 LYS 8 HE2 LYS 8 18.664 -48.968 -22.171 57 HE3 LYS 8 HE3 LYS 8 17.279 -48.827 -21.088 58 HZ1 LYS 8 HZ1 LYS 8 17.690 -46.658 -20.691 59 HZ2 LYS 8 HZ2 LYS 8 18.431 -46.739 -22.218 60 HZ3 LYS 8 HZ3 LYS 8 19.374 -46.825 -20.806 61 HN1 NH2 9 HN1 NH2 9 20.959 -54.617 -17.734 62 HN2 NH2 9 HN2 NH2 9 20.953 -53.958 -16.171 63 H1 A2G 10 H1 A2G 10 6.769 -56.012 -19.171 64 H2 A2G 10 H2 A2G 10 6.834 -58.467 -19.267 65 HN2 A2G 10 HN2 A2G 10 4.206 -57.468 -20.194 66 H3 A2G 10 H3 A2G 10 4.176 -58.346 -17.815 67 HO3 A2G 10 HO3 A2G 10 4.217 -60.120 -19.073 68 H4 A2G 10 H4 A2G 10 5.349 -59.313 -15.920 69 HO4 A2G 10 HO4 A2G 10 7.796 -58.942 -17.244 70 H5 A2G 10 H5 A2G 10 5.346 -56.861 -16.047 71 H6 A2G 10 H6 A2G 10 8.165 -57.282 -15.263 72 H8 A2G 10 H8 A2G 10 4.059 -58.884 -22.755 73 H8A A2G 10 H8A A2G 10 5.272 -57.853 -23.516 74 H8B A2G 10 H8B A2G 10 4.049 -57.145 -22.459 75 H14 A2G 10 H14 A2G 10 6.820 -56.641 -14.319 76 H15 A2G 10 H15 A2G 10 7.840 -59.123 -14.354 77 H1 A2G 11 H1 A2G 11 9.381 -51.167 -22.327 78 H2 A2G 11 H2 A2G 11 9.389 -49.065 -21.054 79 HN2 A2G 11 HN2 A2G 11 9.088 -51.397 -19.253 80 H3 A2G 11 H3 A2G 11 6.903 -50.160 -19.709 81 HO3 A2G 11 HO3 A2G 11 8.552 -47.911 -19.378 82 H4 A2G 11 H4 A2G 11 5.699 -48.384 -20.849 83 HO4 A2G 11 HO4 A2G 11 6.788 -46.751 -21.536 84 H5 A2G 11 H5 A2G 11 5.917 -50.498 -22.078 85 H6 A2G 11 H6 A2G 11 5.309 -49.678 -24.198 86 H8 A2G 11 H8 A2G 11 11.087 -52.153 -18.343 87 H8A A2G 11 H8A A2G 11 11.101 -50.739 -17.288 88 H8B A2G 11 H8B A2G 11 12.477 -51.068 -18.342 89 H14 A2G 11 H14 A2G 11 4.979 -48.302 -23.145 90 H15 A2G 11 H15 A2G 11 6.343 -47.252 -24.315 Start of MODEL 26 1 H1 ACE 1 H1 ACE 1 -2.038 -51.709 -17.850 2 H2 ACE 1 H2 ACE 1 -2.722 -52.190 -19.403 3 H3 ACE 1 H3 ACE 1 -1.732 -50.736 -19.288 4 HA PRO 2 HA PRO 2 0.590 -54.778 -20.625 5 HB2 PRO 2 HB2 PRO 2 1.693 -53.142 -22.723 6 HB3 PRO 2 HB3 PRO 2 0.645 -54.560 -22.877 7 HG2 PRO 2 HG2 PRO 2 -0.026 -51.723 -23.043 8 HG3 PRO 2 HG3 PRO 2 -0.928 -53.133 -23.615 9 HD2 PRO 2 HD2 PRO 2 -1.717 -51.621 -21.472 10 HD3 PRO 2 HD3 PRO 2 -2.104 -53.348 -21.638 11 H THR 3 H THR 3 2.985 -54.922 -20.791 12 HA THR 3 HA THR 3 4.442 -52.599 -19.741 13 HB THR 3 HB THR 3 5.489 -53.946 -17.976 14 HG21 THR 3 HG21 THR 3 2.539 -54.403 -17.648 15 HG22 THR 3 HG22 THR 3 3.155 -52.754 -17.755 16 HG23 THR 3 HG23 THR 3 3.712 -53.822 -16.466 17 H THR 4 H THR 4 6.885 -53.475 -19.422 18 HA THR 4 HA THR 4 7.593 -55.131 -21.753 19 HB THR 4 HB THR 4 9.567 -53.359 -21.944 20 HG21 THR 4 HG21 THR 4 6.766 -52.885 -23.008 21 HG22 THR 4 HG22 THR 4 7.971 -53.948 -23.735 22 HG23 THR 4 HG23 THR 4 8.249 -52.208 -23.681 23 H THR 5 H THR 5 9.744 -56.028 -21.648 24 HA THR 5 HA THR 5 10.489 -56.718 -18.932 25 HB THR 5 HB THR 5 10.943 -58.622 -20.040 26 HG1 THR 5 HG1 THR 5 13.003 -57.601 -21.543 27 HG21 THR 5 HG21 THR 5 11.130 -58.689 -22.532 28 HG22 THR 5 HG22 THR 5 11.036 -56.927 -22.550 29 HG23 THR 5 HG23 THR 5 9.668 -57.878 -21.973 30 HA PRO 6 HA PRO 6 13.829 -54.067 -18.006 31 HB2 PRO 6 HB2 PRO 6 15.913 -56.055 -18.017 32 HB3 PRO 6 HB3 PRO 6 15.096 -55.333 -16.622 33 HG2 PRO 6 HG2 PRO 6 14.659 -57.922 -17.900 34 HG3 PRO 6 HG3 PRO 6 14.189 -57.363 -16.289 35 HD2 PRO 6 HD2 PRO 6 12.389 -57.787 -18.309 36 HD3 PRO 6 HD3 PRO 6 12.128 -56.606 -17.006 37 H LEU 7 H LEU 7 14.147 -52.794 -19.801 38 HA LEU 7 HA LEU 7 15.313 -53.776 -22.232 39 HB2 LEU 7 HB2 LEU 7 13.734 -51.713 -21.805 40 HB3 LEU 7 HB3 LEU 7 15.258 -50.866 -21.535 41 HG LEU 7 HG LEU 7 15.934 -52.129 -23.786 42 HD11 LEU 7 HD11 LEU 7 14.099 -52.423 -25.295 43 HD12 LEU 7 HD12 LEU 7 12.968 -51.664 -24.174 44 HD13 LEU 7 HD13 LEU 7 13.643 -53.252 -23.806 45 HD21 LEU 7 HD21 LEU 7 15.225 -50.088 -25.012 46 HD22 LEU 7 HD22 LEU 7 15.946 -49.691 -23.452 47 HD23 LEU 7 HD23 LEU 7 14.195 -49.644 -23.652 48 H LYS 8 H LYS 8 16.957 -51.292 -22.544 49 HA LYS 8 HA LYS 8 19.156 -51.623 -20.683 50 HB2 LYS 8 HB2 LYS 8 19.308 -53.449 -22.535 51 HB3 LYS 8 HB3 LYS 8 19.801 -52.112 -23.576 52 HG2 LYS 8 HG2 LYS 8 21.874 -52.703 -22.771 53 HG3 LYS 8 HG3 LYS 8 21.397 -51.593 -21.485 54 HD2 LYS 8 HD2 LYS 8 20.383 -53.634 -20.309 55 HD3 LYS 8 HD3 LYS 8 21.274 -54.613 -21.476 56 HE2 LYS 8 HE2 LYS 8 22.527 -52.539 -19.653 57 HE3 LYS 8 HE3 LYS 8 22.543 -54.278 -19.357 58 HZ1 LYS 8 HZ1 LYS 8 23.752 -54.617 -21.383 59 HZ2 LYS 8 HZ2 LYS 8 24.575 -53.462 -20.447 60 HZ3 LYS 8 HZ3 LYS 8 23.648 -52.973 -21.784 61 HN1 NH2 9 HN1 NH2 9 20.356 -48.720 -21.261 62 HN2 NH2 9 HN2 NH2 9 18.854 -48.980 -20.517 63 H1 A2G 10 H1 A2G 10 6.507 -55.827 -18.783 64 H2 A2G 10 H2 A2G 10 6.570 -58.239 -18.317 65 HN2 A2G 10 HN2 A2G 10 4.464 -57.552 -20.283 66 H3 A2G 10 H3 A2G 10 3.578 -57.987 -17.907 67 HO3 A2G 10 HO3 A2G 10 5.382 -60.153 -17.597 68 H4 A2G 10 H4 A2G 10 4.021 -58.463 -15.565 69 HO4 A2G 10 HO4 A2G 10 6.771 -58.337 -16.221 70 H5 A2G 10 H5 A2G 10 4.092 -56.097 -16.214 71 H6 A2G 10 H6 A2G 10 6.473 -56.376 -14.417 72 H8 A2G 10 H8 A2G 10 4.821 -59.480 -22.223 73 H8A A2G 10 H8A A2G 10 6.443 -59.104 -22.803 74 H8B A2G 10 H8B A2G 10 5.273 -57.809 -22.556 75 H14 A2G 10 H14 A2G 10 5.065 -55.328 -14.250 76 H15 A2G 10 H15 A2G 10 3.851 -57.071 -13.620 77 H1 A2G 11 H1 A2G 11 10.256 -51.505 -21.276 78 H2 A2G 11 H2 A2G 11 9.968 -49.269 -20.297 79 HN2 A2G 11 HN2 A2G 11 8.824 -51.391 -18.576 80 H3 A2G 11 H3 A2G 11 7.069 -50.074 -19.930 81 HO3 A2G 11 HO3 A2G 11 6.972 -48.366 -18.722 82 H4 A2G 11 H4 A2G 11 6.557 -48.390 -21.607 83 HO4 A2G 11 HO4 A2G 11 9.334 -48.090 -22.013 84 H5 A2G 11 H5 A2G 11 7.034 -50.643 -22.455 85 H6 A2G 11 H6 A2G 11 7.421 -50.060 -24.721 86 H8 A2G 11 H8 A2G 11 10.257 -52.083 -16.886 87 H8A A2G 11 H8A A2G 11 9.894 -50.597 -16.010 88 H8B A2G 11 H8B A2G 11 11.565 -51.008 -16.394 89 H14 A2G 11 H14 A2G 11 6.735 -48.598 -24.014 90 H15 A2G 11 H15 A2G 11 9.303 -49.116 -24.907 Start of MODEL 27 1 H1 ACE 1 H1 ACE 1 -2.418 -53.426 -17.387 2 H2 ACE 1 H2 ACE 1 -2.019 -51.949 -18.262 3 H3 ACE 1 H3 ACE 1 -1.534 -52.133 -16.577 4 HA PRO 2 HA PRO 2 1.093 -55.632 -18.784 5 HB2 PRO 2 HB2 PRO 2 0.888 -55.070 -21.601 6 HB3 PRO 2 HB3 PRO 2 0.415 -56.544 -20.742 7 HG2 PRO 2 HG2 PRO 2 -1.238 -54.329 -21.687 8 HG3 PRO 2 HG3 PRO 2 -1.704 -55.975 -21.236 9 HD2 PRO 2 HD2 PRO 2 -2.324 -53.776 -19.724 10 HD3 PRO 2 HD3 PRO 2 -2.103 -55.400 -19.033 11 H THR 3 H THR 3 3.162 -55.399 -20.153 12 HA THR 3 HA THR 3 3.950 -52.605 -20.580 13 HB THR 3 HB THR 3 6.073 -53.034 -19.286 14 HG21 THR 3 HG21 THR 3 3.661 -53.347 -17.506 15 HG22 THR 3 HG22 THR 3 3.927 -51.863 -18.421 16 HG23 THR 3 HG23 THR 3 5.115 -52.388 -17.229 17 H THR 4 H THR 4 6.657 -53.033 -20.964 18 HA THR 4 HA THR 4 6.608 -54.660 -23.420 19 HB THR 4 HB THR 4 8.974 -53.293 -23.497 20 HG21 THR 4 HG21 THR 4 6.245 -52.284 -24.358 21 HG22 THR 4 HG22 THR 4 7.260 -53.400 -25.272 22 HG23 THR 4 HG23 THR 4 7.792 -51.740 -25.006 23 H THR 5 H THR 5 9.309 -55.055 -23.780 24 HA THR 5 HA THR 5 9.789 -57.243 -21.937 25 HB THR 5 HB THR 5 10.612 -58.051 -23.870 26 HG1 THR 5 HG1 THR 5 12.671 -56.136 -23.699 27 HG21 THR 5 HG21 THR 5 11.170 -56.554 -25.802 28 HG22 THR 5 HG22 THR 5 10.826 -55.166 -24.769 29 HG23 THR 5 HG23 THR 5 9.542 -56.307 -25.171 30 HA PRO 6 HA PRO 6 12.608 -55.614 -19.029 31 HB2 PRO 6 HB2 PRO 6 14.914 -57.133 -19.846 32 HB3 PRO 6 HB3 PRO 6 13.841 -57.428 -18.470 33 HG2 PRO 6 HG2 PRO 6 13.905 -58.716 -21.090 34 HG3 PRO 6 HG3 PRO 6 13.167 -59.265 -19.578 35 HD2 PRO 6 HD2 PRO 6 11.707 -58.418 -21.735 36 HD3 PRO 6 HD3 PRO 6 11.134 -58.278 -20.057 37 H LEU 7 H LEU 7 15.055 -54.799 -18.930 38 HA LEU 7 HA LEU 7 16.152 -53.768 -21.372 39 HB2 LEU 7 HB2 LEU 7 15.684 -51.462 -21.125 40 HB3 LEU 7 HB3 LEU 7 14.134 -52.266 -20.877 41 HG LEU 7 HG LEU 7 16.012 -51.257 -18.723 42 HD11 LEU 7 HD11 LEU 7 14.794 -49.372 -18.916 43 HD12 LEU 7 HD12 LEU 7 13.368 -50.294 -18.438 44 HD13 LEU 7 HD13 LEU 7 13.773 -50.117 -20.146 45 HD21 LEU 7 HD21 LEU 7 15.088 -53.237 -17.821 46 HD22 LEU 7 HD22 LEU 7 13.541 -52.988 -18.630 47 HD23 LEU 7 HD23 LEU 7 13.992 -51.975 -17.258 48 H LYS 8 H LYS 8 17.799 -51.883 -20.667 49 HA LYS 8 HA LYS 8 19.531 -53.147 -18.711 50 HB2 LYS 8 HB2 LYS 8 20.046 -50.555 -20.168 51 HB3 LYS 8 HB3 LYS 8 21.226 -51.686 -19.502 52 HG2 LYS 8 HG2 LYS 8 19.361 -52.218 -21.834 53 HG3 LYS 8 HG3 LYS 8 21.103 -51.961 -21.932 54 HD2 LYS 8 HD2 LYS 8 21.204 -53.954 -20.217 55 HD3 LYS 8 HD3 LYS 8 19.598 -54.321 -20.848 56 HE2 LYS 8 HE2 LYS 8 21.118 -55.554 -22.214 57 HE3 LYS 8 HE3 LYS 8 20.634 -54.161 -23.181 58 HZ1 LYS 8 HZ1 LYS 8 22.974 -53.871 -21.456 59 HZ2 LYS 8 HZ2 LYS 8 22.658 -53.194 -22.982 60 HZ3 LYS 8 HZ3 LYS 8 23.149 -54.815 -22.853 61 HN1 NH2 9 HN1 NH2 9 17.585 -49.793 -17.778 62 HN2 NH2 9 HN2 NH2 9 18.977 -49.429 -18.677 63 H1 A2G 10 H1 A2G 10 7.336 -54.736 -19.123 64 H2 A2G 10 H2 A2G 10 7.958 -56.778 -17.905 65 HN2 A2G 10 HN2 A2G 10 5.584 -57.230 -19.617 66 H3 A2G 10 H3 A2G 10 5.029 -56.928 -17.145 67 HO3 A2G 10 HO3 A2G 10 7.295 -58.485 -16.452 68 H4 A2G 10 H4 A2G 10 5.744 -56.442 -14.878 69 HO4 A2G 10 HO4 A2G 10 7.761 -57.343 -14.857 70 H5 A2G 10 H5 A2G 10 5.272 -54.475 -16.263 71 H6 A2G 10 H6 A2G 10 7.775 -53.569 -14.959 72 H8 A2G 10 H8 A2G 10 6.408 -59.620 -21.031 73 H8A A2G 10 H8A A2G 10 7.670 -58.821 -21.967 74 H8B A2G 10 H8B A2G 10 6.114 -58.027 -21.729 75 H14 A2G 10 H14 A2G 10 6.121 -52.994 -14.742 76 H15 A2G 10 H15 A2G 10 7.157 -55.440 -13.749 77 H1 A2G 11 H1 A2G 11 9.916 -51.587 -22.755 78 H2 A2G 11 H2 A2G 11 10.005 -49.517 -21.433 79 HN2 A2G 11 HN2 A2G 11 8.803 -51.774 -19.941 80 H3 A2G 11 H3 A2G 11 7.080 -50.055 -20.854 81 HO3 A2G 11 HO3 A2G 11 8.558 -47.731 -20.283 82 H4 A2G 11 H4 A2G 11 6.617 -48.081 -22.194 83 HO4 A2G 11 HO4 A2G 11 8.163 -46.719 -22.470 84 H5 A2G 11 H5 A2G 11 6.724 -50.210 -23.411 85 H6 A2G 11 H6 A2G 11 7.495 -49.277 -25.670 86 H8 A2G 11 H8 A2G 11 10.792 -52.885 -18.652 87 H8A A2G 11 H8A A2G 11 9.838 -51.831 -17.609 88 H8B A2G 11 H8B A2G 11 11.587 -51.629 -17.701 89 H14 A2G 11 H14 A2G 11 6.258 -48.340 -24.831 90 H15 A2G 11 H15 A2G 11 8.331 -47.304 -25.710 Start of MODEL 28 1 H1 ACE 1 H1 ACE 1 -2.999 -52.782 -20.999 2 H2 ACE 1 H2 ACE 1 -1.999 -51.460 -21.599 3 H3 ACE 1 H3 ACE 1 -2.453 -51.519 -19.896 4 HA PRO 2 HA PRO 2 0.361 -55.507 -20.343 5 HB2 PRO 2 HB2 PRO 2 1.678 -55.222 -22.889 6 HB3 PRO 2 HB3 PRO 2 0.623 -56.533 -22.342 7 HG2 PRO 2 HG2 PRO 2 0.020 -54.257 -24.068 8 HG3 PRO 2 HG3 PRO 2 -0.852 -55.783 -23.864 9 HD2 PRO 2 HD2 PRO 2 -1.803 -53.382 -22.951 10 HD3 PRO 2 HD3 PRO 2 -2.206 -54.939 -22.192 11 H THR 3 H THR 3 2.525 -55.498 -19.684 12 HA THR 3 HA THR 3 3.789 -52.849 -19.641 13 HB THR 3 HB THR 3 5.205 -53.809 -17.854 14 HG21 THR 3 HG21 THR 3 2.499 -53.179 -17.725 15 HG22 THR 3 HG22 THR 3 3.584 -53.354 -16.345 16 HG23 THR 3 HG23 THR 3 2.605 -54.722 -16.877 17 H THR 4 H THR 4 6.398 -53.374 -19.334 18 HA THR 4 HA THR 4 7.218 -55.030 -21.629 19 HB THR 4 HB THR 4 8.769 -53.225 -22.347 20 HG21 THR 4 HG21 THR 4 5.993 -52.066 -22.228 21 HG22 THR 4 HG22 THR 4 6.312 -53.528 -23.162 22 HG23 THR 4 HG23 THR 4 7.150 -52.028 -23.559 23 H THR 5 H THR 5 9.563 -55.476 -21.630 24 HA THR 5 HA THR 5 10.454 -56.104 -18.946 25 HB THR 5 HB THR 5 11.704 -57.699 -19.946 26 HG1 THR 5 HG1 THR 5 13.368 -56.949 -20.944 27 HG21 THR 5 HG21 THR 5 9.508 -57.639 -21.242 28 HG22 THR 5 HG22 THR 5 10.854 -58.446 -22.048 29 HG23 THR 5 HG23 THR 5 10.395 -56.811 -22.521 30 HA PRO 6 HA PRO 6 13.414 -52.896 -18.452 31 HB2 PRO 6 HB2 PRO 6 15.626 -54.570 -17.668 32 HB3 PRO 6 HB3 PRO 6 14.511 -53.669 -16.628 33 HG2 PRO 6 HG2 PRO 6 14.653 -56.420 -16.829 34 HG3 PRO 6 HG3 PRO 6 13.288 -55.502 -16.177 35 HD2 PRO 6 HD2 PRO 6 13.573 -56.811 -18.840 36 HD3 PRO 6 HD3 PRO 6 12.110 -56.522 -17.871 37 H LEU 7 H LEU 7 14.281 -51.805 -20.118 38 HA LEU 7 HA LEU 7 15.665 -53.099 -22.274 39 HB2 LEU 7 HB2 LEU 7 16.021 -50.775 -23.092 40 HB3 LEU 7 HB3 LEU 7 14.332 -51.109 -22.705 41 HG LEU 7 HG LEU 7 14.896 -50.161 -20.360 42 HD11 LEU 7 HD11 LEU 7 17.381 -49.682 -21.880 43 HD12 LEU 7 HD12 LEU 7 17.124 -49.755 -20.137 44 HD13 LEU 7 HD13 LEU 7 16.769 -48.269 -21.018 45 HD21 LEU 7 HD21 LEU 7 14.579 -48.652 -22.934 46 HD22 LEU 7 HD22 LEU 7 14.832 -47.743 -21.444 47 HD23 LEU 7 HD23 LEU 7 13.446 -48.823 -21.594 48 H LYS 8 H LYS 8 17.815 -51.946 -23.005 49 HA LYS 8 HA LYS 8 19.616 -51.295 -20.826 50 HB2 LYS 8 HB2 LYS 8 21.212 -53.163 -21.592 51 HB3 LYS 8 HB3 LYS 8 19.842 -53.631 -20.583 52 HG2 LYS 8 HG2 LYS 8 18.572 -54.308 -22.560 53 HG3 LYS 8 HG3 LYS 8 19.877 -53.762 -23.612 54 HD2 LYS 8 HD2 LYS 8 21.393 -55.393 -22.367 55 HD3 LYS 8 HD3 LYS 8 19.927 -56.060 -21.647 56 HE2 LYS 8 HE2 LYS 8 20.627 -55.938 -24.591 57 HE3 LYS 8 HE3 LYS 8 20.430 -57.383 -23.599 58 HZ1 LYS 8 HZ1 LYS 8 18.460 -55.882 -24.967 59 HZ2 LYS 8 HZ2 LYS 8 18.107 -55.921 -23.305 60 HZ3 LYS 8 HZ3 LYS 8 18.304 -57.371 -24.168 61 HN1 NH2 9 HN1 NH2 9 18.619 -50.487 -23.785 62 HN2 NH2 9 HN2 NH2 9 20.049 -49.666 -24.192 63 H1 A2G 10 H1 A2G 10 6.426 -55.580 -18.465 64 H2 A2G 10 H2 A2G 10 6.871 -57.917 -17.850 65 HN2 A2G 10 HN2 A2G 10 4.609 -57.666 -19.744 66 H3 A2G 10 H3 A2G 10 3.897 -58.077 -17.292 67 HO3 A2G 10 HO3 A2G 10 4.513 -60.161 -16.567 68 H4 A2G 10 H4 A2G 10 4.511 -58.315 -14.952 69 HO4 A2G 10 HO4 A2G 10 6.754 -59.093 -15.836 70 H5 A2G 10 H5 A2G 10 4.196 -56.016 -15.755 71 H6 A2G 10 H6 A2G 10 6.573 -56.319 -13.890 72 H8 A2G 10 H8 A2G 10 4.918 -59.407 -21.563 73 H8A A2G 10 H8A A2G 10 6.580 -59.429 -22.151 74 H8B A2G 10 H8B A2G 10 5.667 -57.920 -22.145 75 H14 A2G 10 H14 A2G 10 5.630 -54.842 -14.086 76 H15 A2G 10 H15 A2G 10 3.772 -56.243 -13.545 77 H1 A2G 11 H1 A2G 11 10.121 -52.025 -21.212 78 H2 A2G 11 H2 A2G 11 10.582 -49.867 -20.130 79 HN2 A2G 11 HN2 A2G 11 8.888 -51.631 -18.461 80 H3 A2G 11 H3 A2G 11 7.590 -49.741 -19.669 81 HO3 A2G 11 HO3 A2G 11 8.125 -48.275 -18.292 82 H4 A2G 11 H4 A2G 11 7.586 -47.894 -21.249 83 HO4 A2G 11 HO4 A2G 11 10.282 -48.448 -21.839 84 H5 A2G 11 H5 A2G 11 7.303 -50.136 -22.211 85 H6 A2G 11 H6 A2G 11 7.608 -49.490 -24.416 86 H8 A2G 11 H8 A2G 11 10.088 -52.849 -16.929 87 H8A A2G 11 H8A A2G 11 10.277 -51.438 -15.889 88 H8B A2G 11 H8B A2G 11 11.701 -52.302 -16.470 89 H14 A2G 11 H14 A2G 11 7.803 -47.926 -23.624 90 H15 A2G 11 H15 A2G 11 9.649 -47.962 -24.631 Start of MODEL 29 1 H1 ACE 1 H1 ACE 1 -1.672 -56.448 -18.770 2 H2 ACE 1 H2 ACE 1 -1.027 -55.278 -17.620 3 H3 ACE 1 H3 ACE 1 -0.327 -56.893 -17.721 4 HA PRO 2 HA PRO 2 1.073 -54.595 -21.700 5 HB2 PRO 2 HB2 PRO 2 0.383 -51.804 -21.493 6 HB3 PRO 2 HB3 PRO 2 -0.201 -52.993 -22.668 7 HG2 PRO 2 HG2 PRO 2 -1.721 -51.810 -20.687 8 HG3 PRO 2 HG3 PRO 2 -2.133 -53.294 -21.556 9 HD2 PRO 2 HD2 PRO 2 -1.038 -52.967 -18.802 10 HD3 PRO 2 HD3 PRO 2 -2.094 -54.240 -19.457 11 H THR 3 H THR 3 3.151 -54.829 -20.914 12 HA THR 3 HA THR 3 4.410 -52.389 -19.878 13 HB THR 3 HB THR 3 5.613 -53.661 -18.143 14 HG21 THR 3 HG21 THR 3 3.206 -52.625 -17.872 15 HG22 THR 3 HG22 THR 3 3.874 -53.635 -16.590 16 HG23 THR 3 HG23 THR 3 2.711 -54.312 -17.731 17 H THR 4 H THR 4 6.930 -53.089 -19.572 18 HA THR 4 HA THR 4 7.740 -54.640 -21.943 19 HB THR 4 HB THR 4 9.576 -52.725 -22.110 20 HG21 THR 4 HG21 THR 4 8.160 -51.633 -23.809 21 HG22 THR 4 HG22 THR 4 6.736 -52.430 -23.137 22 HG23 THR 4 HG23 THR 4 8.007 -53.388 -23.900 23 H THR 5 H THR 5 9.945 -55.387 -21.867 24 HA THR 5 HA THR 5 10.764 -56.068 -19.170 25 HB THR 5 HB THR 5 12.702 -57.138 -20.682 26 HG1 THR 5 HG1 THR 5 10.548 -57.301 -22.448 27 HG21 THR 5 HG21 THR 5 9.893 -58.020 -20.100 28 HG22 THR 5 HG22 THR 5 11.410 -58.615 -19.426 29 HG23 THR 5 HG23 THR 5 10.941 -59.055 -21.068 30 HA PRO 6 HA PRO 6 13.841 -53.117 -18.236 31 HB2 PRO 6 HB2 PRO 6 16.043 -54.968 -18.086 32 HB3 PRO 6 HB3 PRO 6 15.128 -54.245 -16.754 33 HG2 PRO 6 HG2 PRO 6 14.903 -56.904 -17.940 34 HG3 PRO 6 HG3 PRO 6 14.338 -56.315 -16.371 35 HD2 PRO 6 HD2 PRO 6 12.647 -56.930 -18.437 36 HD3 PRO 6 HD3 PRO 6 12.263 -55.716 -17.195 37 H LEU 7 H LEU 7 14.175 -51.885 -20.050 38 HA LEU 7 HA LEU 7 15.474 -52.883 -22.405 39 HB2 LEU 7 HB2 LEU 7 14.066 -50.503 -21.612 40 HB3 LEU 7 HB3 LEU 7 15.584 -50.061 -22.393 41 HG LEU 7 HG LEU 7 13.602 -52.045 -23.541 42 HD11 LEU 7 HD11 LEU 7 13.887 -49.078 -23.803 43 HD12 LEU 7 HD12 LEU 7 12.427 -50.066 -23.800 44 HD13 LEU 7 HD13 LEU 7 13.445 -50.003 -25.238 45 HD21 LEU 7 HD21 LEU 7 15.215 -52.483 -25.053 46 HD22 LEU 7 HD22 LEU 7 16.324 -51.496 -24.102 47 HD23 LEU 7 HD23 LEU 7 15.391 -50.764 -25.408 48 H LYS 8 H LYS 8 17.581 -53.276 -22.544 49 HA LYS 8 HA LYS 8 19.505 -51.301 -21.641 50 HB2 LYS 8 HB2 LYS 8 20.764 -52.824 -20.214 51 HB3 LYS 8 HB3 LYS 8 19.117 -52.667 -19.603 52 HG2 LYS 8 HG2 LYS 8 18.560 -54.755 -20.971 53 HG3 LYS 8 HG3 LYS 8 20.300 -54.961 -21.176 54 HD2 LYS 8 HD2 LYS 8 20.520 -54.862 -18.661 55 HD3 LYS 8 HD3 LYS 8 18.759 -54.909 -18.569 56 HE2 LYS 8 HE2 LYS 8 18.968 -57.161 -18.591 57 HE3 LYS 8 HE3 LYS 8 19.354 -56.990 -20.303 58 HZ1 LYS 8 HZ1 LYS 8 21.585 -56.468 -18.573 59 HZ2 LYS 8 HZ2 LYS 8 21.482 -57.471 -19.940 60 HZ3 LYS 8 HZ3 LYS 8 20.988 -58.048 -18.420 61 HN1 NH2 9 HN1 NH2 9 21.461 -52.297 -24.193 62 HN2 NH2 9 HN2 NH2 9 21.810 -51.939 -22.571 63 H1 A2G 10 H1 A2G 10 6.726 -55.478 -18.985 64 H2 A2G 10 H2 A2G 10 6.954 -57.879 -18.510 65 HN2 A2G 10 HN2 A2G 10 4.765 -57.311 -20.420 66 H3 A2G 10 H3 A2G 10 3.967 -57.811 -18.008 67 HO3 A2G 10 HO3 A2G 10 4.573 -59.767 -18.804 68 H4 A2G 10 H4 A2G 10 4.510 -58.244 -15.679 69 HO4 A2G 10 HO4 A2G 10 6.938 -57.893 -15.289 70 H5 A2G 10 H5 A2G 10 4.412 -55.883 -16.341 71 H6 A2G 10 H6 A2G 10 6.860 -56.013 -14.615 72 H8 A2G 10 H8 A2G 10 5.238 -59.183 -22.481 73 H8A A2G 10 H8A A2G 10 6.824 -58.609 -22.997 74 H8B A2G 10 H8B A2G 10 5.534 -57.455 -22.659 75 H14 A2G 10 H14 A2G 10 5.407 -55.034 -14.417 76 H15 A2G 10 H15 A2G 10 5.469 -57.854 -14.162 77 H1 A2G 11 H1 A2G 11 10.137 -50.840 -21.409 78 H2 A2G 11 H2 A2G 11 9.700 -48.654 -20.375 79 HN2 A2G 11 HN2 A2G 11 8.746 -50.903 -18.702 80 H3 A2G 11 H3 A2G 11 6.871 -49.674 -19.999 81 HO3 A2G 11 HO3 A2G 11 8.276 -47.900 -18.704 82 H4 A2G 11 H4 A2G 11 6.218 -47.995 -21.630 83 HO4 A2G 11 HO4 A2G 11 8.404 -46.853 -20.986 84 H5 A2G 11 H5 A2G 11 6.848 -50.189 -22.535 85 H6 A2G 11 H6 A2G 11 7.194 -49.528 -24.795 86 H8 A2G 11 H8 A2G 11 10.268 -51.538 -17.087 87 H8A A2G 11 H8A A2G 11 9.822 -50.141 -16.107 88 H8B A2G 11 H8B A2G 11 11.503 -50.386 -16.581 89 H14 A2G 11 H14 A2G 11 6.369 -48.158 -24.052 90 H15 A2G 11 H15 A2G 11 8.818 -47.651 -23.584 Start of MODEL 30 1 H1 ACE 1 H1 ACE 1 -0.072 -55.007 -16.645 2 H2 ACE 1 H2 ACE 1 1.356 -55.748 -15.923 3 H3 ACE 1 H3 ACE 1 0.167 -56.751 -16.755 4 HA PRO 2 HA PRO 2 2.057 -56.600 -20.700 5 HB2 PRO 2 HB2 PRO 2 0.151 -54.918 -22.054 6 HB3 PRO 2 HB3 PRO 2 0.312 -56.678 -22.141 7 HG2 PRO 2 HG2 PRO 2 -1.571 -55.056 -20.610 8 HG3 PRO 2 HG3 PRO 2 -1.657 -56.765 -21.060 9 HD2 PRO 2 HD2 PRO 2 -1.210 -55.914 -18.495 10 HD3 PRO 2 HD3 PRO 2 -0.608 -57.464 -19.124 11 H THR 3 H THR 3 3.861 -55.441 -21.026 12 HA THR 3 HA THR 3 3.652 -52.540 -21.409 13 HB THR 3 HB THR 3 5.899 -52.500 -19.994 14 HG21 THR 3 HG21 THR 3 3.677 -51.315 -19.575 15 HG22 THR 3 HG22 THR 3 4.626 -51.694 -18.138 16 HG23 THR 3 HG23 THR 3 3.239 -52.695 -18.568 17 H THR 4 H THR 4 6.776 -53.714 -20.813 18 HA THR 4 HA THR 4 7.262 -54.336 -23.648 19 HB THR 4 HB THR 4 9.488 -52.852 -22.945 20 HG21 THR 4 HG21 THR 4 6.971 -51.929 -24.364 21 HG22 THR 4 HG22 THR 4 8.296 -52.824 -25.108 22 HG23 THR 4 HG23 THR 4 8.565 -51.187 -24.511 23 H THR 5 H THR 5 9.951 -54.625 -23.628 24 HA THR 5 HA THR 5 10.281 -57.029 -22.041 25 HB THR 5 HB THR 5 11.419 -57.546 -23.910 26 HG1 THR 5 HG1 THR 5 13.204 -55.609 -22.861 27 HG21 THR 5 HG21 THR 5 10.406 -55.687 -25.112 28 HG22 THR 5 HG22 THR 5 12.108 -55.802 -25.562 29 HG23 THR 5 HG23 THR 5 11.580 -54.564 -24.424 30 HA PRO 6 HA PRO 6 12.582 -55.738 -18.566 31 HB2 PRO 6 HB2 PRO 6 15.059 -57.044 -19.238 32 HB3 PRO 6 HB3 PRO 6 13.822 -57.570 -18.087 33 HG2 PRO 6 HG2 PRO 6 14.321 -58.467 -20.820 34 HG3 PRO 6 HG3 PRO 6 13.411 -59.252 -19.521 35 HD2 PRO 6 HD2 PRO 6 12.221 -58.157 -21.732 36 HD3 PRO 6 HD3 PRO 6 11.413 -58.278 -20.151 37 H LEU 7 H LEU 7 14.286 -54.312 -17.889 38 HA LEU 7 HA LEU 7 15.012 -52.371 -19.873 39 HB2 LEU 7 HB2 LEU 7 15.928 -52.621 -16.998 40 HB3 LEU 7 HB3 LEU 7 16.082 -51.192 -18.021 41 HG LEU 7 HG LEU 7 13.377 -51.906 -18.197 42 HD11 LEU 7 HD11 LEU 7 13.824 -53.379 -16.200 43 HD12 LEU 7 HD12 LEU 7 12.626 -52.119 -15.907 44 HD13 LEU 7 HD13 LEU 7 14.271 -51.930 -15.301 45 HD21 LEU 7 HD21 LEU 7 14.278 -49.624 -18.159 46 HD22 LEU 7 HD22 LEU 7 14.773 -49.829 -16.478 47 HD23 LEU 7 HD23 LEU 7 13.059 -49.807 -16.896 48 H LYS 8 H LYS 8 17.083 -51.818 -20.595 49 HA LYS 8 HA LYS 8 18.917 -54.059 -20.796 50 HB2 LYS 8 HB2 LYS 8 18.702 -51.352 -22.067 51 HB3 LYS 8 HB3 LYS 8 20.227 -52.234 -22.148 52 HG2 LYS 8 HG2 LYS 8 17.728 -53.729 -22.810 53 HG3 LYS 8 HG3 LYS 8 18.326 -52.568 -23.995 54 HD2 LYS 8 HD2 LYS 8 20.328 -53.726 -24.321 55 HD3 LYS 8 HD3 LYS 8 20.232 -54.530 -22.754 56 HE2 LYS 8 HE2 LYS 8 19.738 -56.029 -24.730 57 HE3 LYS 8 HE3 LYS 8 18.458 -55.971 -23.518 58 HZ1 LYS 8 HZ1 LYS 8 18.435 -55.080 -26.249 59 HZ2 LYS 8 HZ2 LYS 8 17.841 -53.916 -25.165 60 HZ3 LYS 8 HZ3 LYS 8 17.139 -55.462 -25.223 61 HN1 NH2 9 HN1 NH2 9 19.886 -52.210 -17.688 62 HN2 NH2 9 HN2 NH2 9 18.715 -51.341 -18.556 63 H1 A2G 10 H1 A2G 10 7.238 -53.949 -19.236 64 H2 A2G 10 H2 A2G 10 7.771 -55.708 -17.605 65 HN2 A2G 10 HN2 A2G 10 5.895 -56.611 -19.709 66 H3 A2G 10 H3 A2G 10 4.772 -56.092 -17.411 67 HO3 A2G 10 HO3 A2G 10 7.015 -57.492 -16.614 68 H4 A2G 10 H4 A2G 10 4.968 -55.227 -15.149 69 HO4 A2G 10 HO4 A2G 10 7.243 -55.989 -15.038 70 H5 A2G 10 H5 A2G 10 4.599 -53.559 -16.913 71 H6 A2G 10 H6 A2G 10 6.702 -52.437 -15.051 72 H8 A2G 10 H8 A2G 10 6.866 -59.069 -20.481 73 H8A A2G 10 H8A A2G 10 8.507 -58.666 -20.990 74 H8B A2G 10 H8B A2G 10 7.153 -57.662 -21.505 75 H14 A2G 10 H14 A2G 10 5.272 -51.628 -15.691 76 H15 A2G 10 H15 A2G 10 4.142 -53.461 -14.523 77 H1 A2G 11 H1 A2G 11 10.032 -51.294 -21.664 78 H2 A2G 11 H2 A2G 11 9.556 -49.401 -20.172 79 HN2 A2G 11 HN2 A2G 11 8.021 -51.789 -19.329 80 H3 A2G 11 H3 A2G 11 6.641 -50.100 -20.622 81 HO3 A2G 11 HO3 A2G 11 7.992 -48.726 -18.744 82 H4 A2G 11 H4 A2G 11 6.488 -47.992 -21.823 83 HO4 A2G 11 HO4 A2G 11 7.983 -46.717 -20.914 84 H5 A2G 11 H5 A2G 11 7.122 -49.951 -23.160 85 H6 A2G 11 H6 A2G 11 7.971 -48.793 -25.048 86 H8 A2G 11 H8 A2G 11 9.208 -53.133 -17.792 87 H8A A2G 11 H8A A2G 11 8.720 -51.945 -16.583 88 H8B A2G 11 H8B A2G 11 10.425 -52.345 -16.788 89 H14 A2G 11 H14 A2G 11 7.152 -47.544 -24.111 90 H15 A2G 11 H15 A2G 11 9.183 -46.807 -24.678 Start of MODEL 31 1 H1 ACE 1 H1 ACE 1 -2.575 -53.362 -18.614 2 H2 ACE 1 H2 ACE 1 -1.809 -51.774 -18.624 3 H3 ACE 1 H3 ACE 1 -1.603 -52.844 -17.236 4 HA PRO 2 HA PRO 2 0.666 -55.330 -20.800 5 HB2 PRO 2 HB2 PRO 2 0.967 -53.449 -22.959 6 HB3 PRO 2 HB3 PRO 2 0.129 -55.007 -22.974 7 HG2 PRO 2 HG2 PRO 2 -0.963 -52.309 -22.742 8 HG3 PRO 2 HG3 PRO 2 -1.767 -53.818 -23.197 9 HD2 PRO 2 HD2 PRO 2 -2.207 -52.547 -20.810 10 HD3 PRO 2 HD3 PRO 2 -2.372 -54.305 -21.020 11 H THR 3 H THR 3 2.560 -55.222 -19.699 12 HA THR 3 HA THR 3 4.043 -52.688 -19.614 13 HB THR 3 HB THR 3 5.428 -53.801 -17.916 14 HG21 THR 3 HG21 THR 3 2.761 -53.058 -17.663 15 HG22 THR 3 HG22 THR 3 3.879 -53.353 -16.332 16 HG23 THR 3 HG23 THR 3 2.822 -54.645 -16.897 17 H THR 4 H THR 4 6.601 -53.366 -19.487 18 HA THR 4 HA THR 4 7.198 -55.040 -21.838 19 HB THR 4 HB THR 4 8.857 -53.290 -22.563 20 HG21 THR 4 HG21 THR 4 6.421 -53.577 -23.418 21 HG22 THR 4 HG22 THR 4 7.260 -52.072 -23.796 22 HG23 THR 4 HG23 THR 4 6.081 -52.120 -22.485 23 H THR 5 H THR 5 9.623 -55.408 -22.012 24 HA THR 5 HA THR 5 10.574 -56.296 -19.421 25 HB THR 5 HB THR 5 11.817 -57.766 -20.603 26 HG1 THR 5 HG1 THR 5 12.478 -55.516 -22.175 27 HG21 THR 5 HG21 THR 5 10.936 -58.302 -22.757 28 HG22 THR 5 HG22 THR 5 10.454 -56.631 -23.049 29 HG23 THR 5 HG23 THR 5 9.599 -57.598 -21.849 30 HA PRO 6 HA PRO 6 13.514 -53.123 -18.657 31 HB2 PRO 6 HB2 PRO 6 15.760 -54.841 -18.101 32 HB3 PRO 6 HB3 PRO 6 14.660 -54.069 -16.950 33 HG2 PRO 6 HG2 PRO 6 14.824 -56.782 -17.440 34 HG3 PRO 6 HG3 PRO 6 13.466 -55.953 -16.666 35 HD2 PRO 6 HD2 PRO 6 13.703 -56.973 -19.458 36 HD3 PRO 6 HD3 PRO 6 12.260 -56.805 -18.432 37 H LEU 7 H LEU 7 14.197 -51.905 -20.339 38 HA LEU 7 HA LEU 7 15.659 -52.978 -22.562 39 HB2 LEU 7 HB2 LEU 7 14.660 -50.293 -21.734 40 HB3 LEU 7 HB3 LEU 7 15.960 -50.357 -22.925 41 HG LEU 7 HG LEU 7 13.577 -52.148 -23.268 42 HD11 LEU 7 HD11 LEU 7 12.451 -50.359 -24.551 43 HD12 LEU 7 HD12 LEU 7 13.712 -49.225 -24.070 44 HD13 LEU 7 HD13 LEU 7 12.631 -49.909 -22.856 45 HD21 LEU 7 HD21 LEU 7 14.318 -52.282 -25.454 46 HD22 LEU 7 HD22 LEU 7 15.854 -51.939 -24.660 47 HD23 LEU 7 HD23 LEU 7 14.960 -50.640 -25.448 48 H LYS 8 H LYS 8 17.787 -52.237 -23.236 49 HA LYS 8 HA LYS 8 19.542 -51.084 -21.234 50 HB2 LYS 8 HB2 LYS 8 19.820 -53.960 -22.122 51 HB3 LYS 8 HB3 LYS 8 21.124 -53.046 -21.363 52 HG2 LYS 8 HG2 LYS 8 19.449 -52.538 -19.480 53 HG3 LYS 8 HG3 LYS 8 18.453 -53.815 -20.181 54 HD2 LYS 8 HD2 LYS 8 20.915 -55.023 -20.092 55 HD3 LYS 8 HD3 LYS 8 20.958 -54.021 -18.641 56 HE2 LYS 8 HE2 LYS 8 18.807 -56.031 -19.372 57 HE3 LYS 8 HE3 LYS 8 20.003 -56.199 -18.087 58 HZ1 LYS 8 HZ1 LYS 8 19.071 -54.277 -16.989 59 HZ2 LYS 8 HZ2 LYS 8 17.858 -55.437 -17.248 60 HZ3 LYS 8 HZ3 LYS 8 17.947 -54.061 -18.242 61 HN1 NH2 9 HN1 NH2 9 19.594 -52.845 -24.442 62 HN2 NH2 9 HN2 NH2 9 21.108 -52.185 -24.833 63 H1 A2G 10 H1 A2G 10 6.549 -55.583 -18.643 64 H2 A2G 10 H2 A2G 10 6.908 -57.971 -18.185 65 HN2 A2G 10 HN2 A2G 10 4.631 -57.469 -20.009 66 H3 A2G 10 H3 A2G 10 3.943 -58.051 -17.565 67 HO3 A2G 10 HO3 A2G 10 6.031 -59.956 -17.590 68 H4 A2G 10 H4 A2G 10 4.586 -58.439 -15.258 69 HO4 A2G 10 HO4 A2G 10 6.988 -58.032 -14.912 70 H5 A2G 10 H5 A2G 10 4.378 -56.081 -15.896 71 H6 A2G 10 H6 A2G 10 6.909 -56.141 -14.286 72 H8 A2G 10 H8 A2G 10 5.043 -59.454 -22.009 73 H8A A2G 10 H8A A2G 10 6.560 -58.821 -22.648 74 H8B A2G 10 H8B A2G 10 5.235 -57.721 -22.269 75 H14 A2G 10 H14 A2G 10 5.442 -55.198 -14.022 76 H15 A2G 10 H15 A2G 10 4.473 -56.900 -13.131 77 H1 A2G 11 H1 A2G 11 10.206 -52.071 -21.461 78 H2 A2G 11 H2 A2G 11 10.677 -49.908 -20.391 79 HN2 A2G 11 HN2 A2G 11 8.975 -51.639 -18.694 80 H3 A2G 11 H3 A2G 11 7.687 -49.772 -19.919 81 HO3 A2G 11 HO3 A2G 11 9.482 -47.662 -19.581 82 H4 A2G 11 H4 A2G 11 7.681 -47.934 -21.510 83 HO4 A2G 11 HO4 A2G 11 10.280 -48.424 -22.331 84 H5 A2G 11 H5 A2G 11 7.388 -50.180 -22.457 85 H6 A2G 11 H6 A2G 11 8.482 -49.705 -24.759 86 H8 A2G 11 H8 A2G 11 10.830 -52.994 -17.150 87 H8A A2G 11 H8A A2G 11 9.830 -51.730 -16.434 88 H8B A2G 11 H8B A2G 11 11.585 -51.663 -16.275 89 H14 A2G 11 H14 A2G 11 7.332 -48.517 -24.146 90 H15 A2G 11 H15 A2G 11 9.140 -47.353 -23.317 Start of MODEL 32 1 H1 ACE 1 H1 ACE 1 -2.015 -50.423 -18.753 2 H2 ACE 1 H2 ACE 1 -0.648 -49.416 -19.230 3 H3 ACE 1 H3 ACE 1 -0.929 -49.774 -17.526 4 HA PRO 2 HA PRO 2 0.676 -53.852 -19.492 5 HB2 PRO 2 HB2 PRO 2 1.607 -53.327 -22.169 6 HB3 PRO 2 HB3 PRO 2 0.276 -54.375 -21.658 7 HG2 PRO 2 HG2 PRO 2 0.012 -52.013 -23.065 8 HG3 PRO 2 HG3 PRO 2 -1.274 -52.825 -22.161 9 HD2 PRO 2 HD2 PRO 2 0.331 -50.428 -21.406 10 HD3 PRO 2 HD3 PRO 2 -1.338 -50.859 -20.965 11 H THR 3 H THR 3 2.763 -54.598 -19.209 12 HA THR 3 HA THR 3 4.852 -52.540 -19.069 13 HB THR 3 HB THR 3 6.068 -54.147 -17.684 14 HG21 THR 3 HG21 THR 3 3.471 -54.566 -16.431 15 HG22 THR 3 HG22 THR 3 3.646 -52.916 -17.029 16 HG23 THR 3 HG23 THR 3 4.823 -53.571 -15.890 17 H THR 4 H THR 4 7.149 -53.690 -19.432 18 HA THR 4 HA THR 4 7.053 -55.231 -21.941 19 HB THR 4 HB THR 4 9.129 -53.684 -22.537 20 HG21 THR 4 HG21 THR 4 7.587 -52.254 -23.825 21 HG22 THR 4 HG22 THR 4 6.241 -52.809 -22.830 22 HG23 THR 4 HG23 THR 4 7.080 -53.941 -23.890 23 H THR 5 H THR 5 9.249 -56.115 -22.501 24 HA THR 5 HA THR 5 10.394 -57.329 -20.130 25 HB THR 5 HB THR 5 10.122 -58.050 -22.849 26 HG1 THR 5 HG1 THR 5 11.190 -59.974 -21.963 27 HG21 THR 5 HG21 THR 5 12.309 -56.909 -23.197 28 HG22 THR 5 HG22 THR 5 12.403 -58.649 -23.472 29 HG23 THR 5 HG23 THR 5 13.020 -57.958 -21.971 30 HA PRO 6 HA PRO 6 13.877 -54.845 -19.277 31 HB2 PRO 6 HB2 PRO 6 15.854 -56.887 -19.751 32 HB3 PRO 6 HB3 PRO 6 15.227 -56.310 -18.200 33 HG2 PRO 6 HG2 PRO 6 14.534 -58.710 -19.710 34 HG3 PRO 6 HG3 PRO 6 14.269 -58.334 -18.002 35 HD2 PRO 6 HD2 PRO 6 12.241 -58.453 -19.840 36 HD3 PRO 6 HD3 PRO 6 12.180 -57.425 -18.388 37 H LEU 7 H LEU 7 15.713 -53.810 -20.271 38 HA LEU 7 HA LEU 7 16.613 -54.544 -22.893 39 HB2 LEU 7 HB2 LEU 7 15.738 -52.554 -24.069 40 HB3 LEU 7 HB3 LEU 7 14.438 -53.613 -23.522 41 HG LEU 7 HG LEU 7 15.010 -51.815 -21.392 42 HD11 LEU 7 HD11 LEU 7 16.060 -50.329 -23.025 43 HD12 LEU 7 HD12 LEU 7 14.506 -49.655 -22.532 44 HD13 LEU 7 HD13 LEU 7 14.659 -50.469 -24.088 45 HD21 LEU 7 HD21 LEU 7 12.835 -52.831 -21.812 46 HD22 LEU 7 HD22 LEU 7 12.721 -52.020 -23.374 47 HD23 LEU 7 HD23 LEU 7 12.664 -51.077 -21.885 48 H LYS 8 H LYS 8 17.537 -53.707 -20.159 49 HA LYS 8 HA LYS 8 19.659 -51.951 -21.067 50 HB2 LYS 8 HB2 LYS 8 17.383 -50.874 -19.697 51 HB3 LYS 8 HB3 LYS 8 18.795 -50.755 -18.646 52 HG2 LYS 8 HG2 LYS 8 20.066 -49.689 -20.479 53 HG3 LYS 8 HG3 LYS 8 18.644 -49.790 -21.518 54 HD2 LYS 8 HD2 LYS 8 17.382 -48.399 -19.894 55 HD3 LYS 8 HD3 LYS 8 18.839 -48.253 -18.912 56 HE2 LYS 8 HE2 LYS 8 18.815 -47.463 -21.825 57 HE3 LYS 8 HE3 LYS 8 18.343 -46.332 -20.557 58 HZ1 LYS 8 HZ1 LYS 8 20.952 -47.270 -21.289 59 HZ2 LYS 8 HZ2 LYS 8 20.650 -47.413 -19.622 60 HZ3 LYS 8 HZ3 LYS 8 20.507 -45.903 -20.389 61 HN1 NH2 9 HN1 NH2 9 20.535 -51.486 -18.018 62 HN2 NH2 9 HN2 NH2 9 21.652 -52.651 -18.546 63 H1 A2G 10 H1 A2G 10 6.649 -56.008 -18.824 64 H2 A2G 10 H2 A2G 10 6.514 -58.456 -18.647 65 HN2 A2G 10 HN2 A2G 10 4.130 -57.334 -19.999 66 H3 A2G 10 H3 A2G 10 3.731 -57.975 -17.549 67 HO3 A2G 10 HO3 A2G 10 4.958 -60.058 -18.698 68 H4 A2G 10 H4 A2G 10 4.597 -58.797 -15.433 69 HO4 A2G 10 HO4 A2G 10 6.526 -59.664 -15.267 70 H5 A2G 10 H5 A2G 10 4.818 -56.384 -15.822 71 H6 A2G 10 H6 A2G 10 7.482 -57.049 -14.655 72 H8 A2G 10 H8 A2G 10 3.971 -59.097 -22.265 73 H8A A2G 10 H8A A2G 10 5.410 -58.485 -23.080 74 H8B A2G 10 H8B A2G 10 4.278 -57.362 -22.327 75 H14 A2G 10 H14 A2G 10 6.209 -56.005 -14.022 76 H15 A2G 10 H15 A2G 10 6.532 -58.063 -12.912 77 H1 A2G 11 H1 A2G 11 10.200 -51.988 -21.971 78 H2 A2G 11 H2 A2G 11 10.468 -49.827 -20.831 79 HN2 A2G 11 HN2 A2G 11 9.524 -51.972 -19.022 80 H3 A2G 11 H3 A2G 11 7.671 -50.313 -19.771 81 HO3 A2G 11 HO3 A2G 11 8.097 -48.043 -19.141 82 H4 A2G 11 H4 A2G 11 6.976 -48.461 -21.174 83 HO4 A2G 11 HO4 A2G 11 9.132 -47.471 -21.042 84 H5 A2G 11 H5 A2G 11 6.935 -50.659 -22.259 85 H6 A2G 11 H6 A2G 11 6.898 -49.926 -24.530 86 H8 A2G 11 H8 A2G 11 11.216 -52.915 -17.748 87 H8A A2G 11 H8A A2G 11 11.205 -51.485 -16.715 88 H8B A2G 11 H8B A2G 11 12.701 -51.996 -17.500 89 H14 A2G 11 H14 A2G 11 6.512 -48.494 -23.576 90 H15 A2G 11 H15 A2G 11 8.203 -47.606 -24.398 Start of MODEL 33 1 H1 ACE 1 H1 ACE 1 -1.922 -52.610 -18.382 2 H2 ACE 1 H2 ACE 1 -2.623 -53.272 -19.859 3 H3 ACE 1 H3 ACE 1 -1.812 -51.705 -19.893 4 HA PRO 2 HA PRO 2 0.908 -55.528 -21.121 5 HB2 PRO 2 HB2 PRO 2 1.694 -53.917 -23.376 6 HB3 PRO 2 HB3 PRO 2 0.819 -55.455 -23.382 7 HG2 PRO 2 HG2 PRO 2 -0.198 -52.734 -23.677 8 HG3 PRO 2 HG3 PRO 2 -0.952 -54.275 -24.108 9 HD2 PRO 2 HD2 PRO 2 -1.805 -52.727 -22.015 10 HD3 PRO 2 HD3 PRO 2 -1.989 -54.495 -22.054 11 H THR 3 H THR 3 2.738 -55.454 -19.957 12 HA THR 3 HA THR 3 4.134 -52.895 -19.607 13 HB THR 3 HB THR 3 5.315 -54.010 -17.785 14 HG21 THR 3 HG21 THR 3 3.539 -53.652 -16.447 15 HG22 THR 3 HG22 THR 3 2.724 -55.086 -17.073 16 HG23 THR 3 HG23 THR 3 2.542 -53.537 -17.897 17 H THR 4 H THR 4 6.643 -53.284 -19.358 18 HA THR 4 HA THR 4 7.608 -55.020 -21.535 19 HB THR 4 HB THR 4 9.026 -53.210 -22.391 20 HG21 THR 4 HG21 THR 4 6.451 -53.540 -22.969 21 HG22 THR 4 HG22 THR 4 7.361 -52.181 -23.628 22 HG23 THR 4 HG23 THR 4 6.320 -51.946 -22.225 23 H THR 5 H THR 5 9.885 -55.503 -21.409 24 HA THR 5 HA THR 5 10.777 -55.772 -18.664 25 HB THR 5 HB THR 5 12.823 -56.785 -20.070 26 HG1 THR 5 HG1 THR 5 11.501 -57.816 -21.899 27 HG21 THR 5 HG21 THR 5 11.293 -58.918 -20.213 28 HG22 THR 5 HG22 THR 5 10.130 -57.904 -19.358 29 HG23 THR 5 HG23 THR 5 11.704 -58.242 -18.636 30 HA PRO 6 HA PRO 6 13.492 -52.404 -18.108 31 HB2 PRO 6 HB2 PRO 6 15.890 -53.962 -17.763 32 HB3 PRO 6 HB3 PRO 6 14.892 -53.198 -16.516 33 HG2 PRO 6 HG2 PRO 6 14.976 -55.985 -17.382 34 HG3 PRO 6 HG3 PRO 6 14.339 -55.285 -15.888 35 HD2 PRO 6 HD2 PRO 6 12.740 -56.325 -17.854 36 HD3 PRO 6 HD3 PRO 6 12.214 -55.025 -16.759 37 H LEU 7 H LEU 7 14.525 -51.078 -19.506 38 HA LEU 7 HA LEU 7 15.252 -52.025 -22.117 39 HB2 LEU 7 HB2 LEU 7 15.644 -49.320 -20.809 40 HB3 LEU 7 HB3 LEU 7 15.892 -49.667 -22.521 41 HG LEU 7 HG LEU 7 13.277 -50.462 -21.323 42 HD11 LEU 7 HD11 LEU 7 14.249 -47.646 -21.677 43 HD12 LEU 7 HD12 LEU 7 13.204 -48.316 -20.425 44 HD13 LEU 7 HD13 LEU 7 12.564 -48.022 -22.041 45 HD21 LEU 7 HD21 LEU 7 12.490 -50.056 -23.535 46 HD22 LEU 7 HD22 LEU 7 14.069 -50.815 -23.743 47 HD23 LEU 7 HD23 LEU 7 13.896 -49.071 -23.936 48 H LYS 8 H LYS 8 17.086 -53.076 -22.508 49 HA LYS 8 HA LYS 8 19.398 -52.768 -20.781 50 HB2 LYS 8 HB2 LYS 8 20.344 -54.386 -22.645 51 HB3 LYS 8 HB3 LYS 8 19.209 -54.980 -21.431 52 HG2 LYS 8 HG2 LYS 8 18.068 -53.788 -23.920 53 HG3 LYS 8 HG3 LYS 8 18.798 -55.390 -24.040 54 HD2 LYS 8 HD2 LYS 8 16.919 -54.858 -21.772 55 HD3 LYS 8 HD3 LYS 8 16.240 -55.108 -23.381 56 HE2 LYS 8 HE2 LYS 8 17.381 -57.255 -23.574 57 HE3 LYS 8 HE3 LYS 8 18.186 -56.998 -22.026 58 HZ1 LYS 8 HZ1 LYS 8 16.423 -57.793 -20.980 59 HZ2 LYS 8 HZ2 LYS 8 15.698 -58.146 -22.476 60 HZ3 LYS 8 HZ3 LYS 8 15.407 -56.653 -21.717 61 HN1 NH2 9 HN1 NH2 9 19.773 -50.172 -23.642 62 HN2 NH2 9 HN2 NH2 9 18.284 -50.941 -23.374 63 H1 A2G 10 H1 A2G 10 6.625 -55.695 -18.604 64 H2 A2G 10 H2 A2G 10 7.113 -58.060 -18.148 65 HN2 A2G 10 HN2 A2G 10 4.899 -57.688 -20.079 66 H3 A2G 10 H3 A2G 10 4.131 -58.335 -17.680 67 HO3 A2G 10 HO3 A2G 10 5.459 -60.378 -16.792 68 H4 A2G 10 H4 A2G 10 4.682 -58.709 -15.346 69 HO4 A2G 10 HO4 A2G 10 6.614 -59.553 -15.181 70 H5 A2G 10 H5 A2G 10 4.356 -56.362 -15.974 71 H6 A2G 10 H6 A2G 10 6.785 -56.154 -14.264 72 H8 A2G 10 H8 A2G 10 5.568 -59.677 -22.042 73 H8A A2G 10 H8A A2G 10 7.024 -58.877 -22.636 74 H8B A2G 10 H8B A2G 10 5.573 -57.932 -22.301 75 H14 A2G 10 H14 A2G 10 5.167 -55.504 -13.999 76 H15 A2G 10 H15 A2G 10 4.574 -57.824 -13.746 77 H1 A2G 11 H1 A2G 11 10.445 -52.113 -21.112 78 H2 A2G 11 H2 A2G 11 10.975 -49.883 -20.221 79 HN2 A2G 11 HN2 A2G 11 9.078 -51.392 -18.521 80 H3 A2G 11 H3 A2G 11 7.974 -49.535 -19.975 81 HO3 A2G 11 HO3 A2G 11 9.175 -47.283 -19.727 82 H4 A2G 11 H4 A2G 11 8.170 -47.881 -21.740 83 HO4 A2G 11 HO4 A2G 11 10.614 -47.745 -21.008 84 H5 A2G 11 H5 A2G 11 7.829 -50.185 -22.508 85 H6 A2G 11 H6 A2G 11 8.616 -49.933 -24.764 86 H8 A2G 11 H8 A2G 11 10.019 -52.348 -16.670 87 H8A A2G 11 H8A A2G 11 10.222 -50.786 -15.877 88 H8B A2G 11 H8B A2G 11 11.620 -51.826 -16.148 89 H14 A2G 11 H14 A2G 11 8.297 -48.305 -24.164 90 H15 A2G 11 H15 A2G 11 10.675 -48.564 -23.473 Start of MODEL 34 1 H1 ACE 1 H1 ACE 1 -1.699 -51.001 -19.596 2 H2 ACE 1 H2 ACE 1 -1.947 -51.414 -17.899 3 H3 ACE 1 H3 ACE 1 -2.790 -52.315 -19.159 4 HA PRO 2 HA PRO 2 0.691 -54.973 -19.753 5 HB2 PRO 2 HB2 PRO 2 1.556 -54.251 -22.407 6 HB3 PRO 2 HB3 PRO 2 0.509 -55.594 -21.923 7 HG2 PRO 2 HG2 PRO 2 -0.283 -53.380 -23.373 8 HG3 PRO 2 HG3 PRO 2 -1.358 -54.481 -22.499 9 HD2 PRO 2 HD2 PRO 2 -0.426 -51.756 -21.728 10 HD3 PRO 2 HD3 PRO 2 -1.950 -52.585 -21.335 11 H THR 3 H THR 3 2.885 -55.174 -19.384 12 HA THR 3 HA THR 3 4.392 -52.660 -19.214 13 HB THR 3 HB THR 3 5.938 -53.939 -17.784 14 HG21 THR 3 HG21 THR 3 3.419 -54.833 -16.587 15 HG22 THR 3 HG22 THR 3 3.344 -53.172 -17.175 16 HG23 THR 3 HG23 THR 3 4.576 -53.636 -16.002 17 H THR 4 H THR 4 6.951 -53.388 -19.392 18 HA THR 4 HA THR 4 7.279 -54.799 -21.958 19 HB THR 4 HB THR 4 9.084 -52.897 -22.360 20 HG21 THR 4 HG21 THR 4 7.180 -53.418 -23.844 21 HG22 THR 4 HG22 THR 4 7.393 -51.675 -23.675 22 HG23 THR 4 HG23 THR 4 6.108 -52.497 -22.788 23 H THR 5 H THR 5 9.648 -55.222 -22.400 24 HA THR 5 HA THR 5 10.824 -56.374 -20.014 25 HB THR 5 HB THR 5 11.882 -57.764 -21.446 26 HG1 THR 5 HG1 THR 5 13.187 -57.020 -23.035 27 HG21 THR 5 HG21 THR 5 9.559 -57.419 -22.435 28 HG22 THR 5 HG22 THR 5 10.770 -58.069 -23.538 29 HG23 THR 5 HG23 THR 5 10.323 -56.365 -23.625 30 HA PRO 6 HA PRO 6 13.945 -53.367 -19.290 31 HB2 PRO 6 HB2 PRO 6 16.172 -55.190 -19.137 32 HB3 PRO 6 HB3 PRO 6 15.229 -54.498 -17.808 33 HG2 PRO 6 HG2 PRO 6 15.242 -57.157 -18.556 34 HG3 PRO 6 HG3 PRO 6 14.004 -56.369 -17.567 35 HD2 PRO 6 HD2 PRO 6 13.909 -57.130 -20.449 36 HD3 PRO 6 HD3 PRO 6 12.588 -57.020 -19.262 37 H LEU 7 H LEU 7 14.560 -51.997 -20.869 38 HA LEU 7 HA LEU 7 15.682 -52.879 -23.357 39 HB2 LEU 7 HB2 LEU 7 15.178 -50.185 -22.112 40 HB3 LEU 7 HB3 LEU 7 16.055 -50.341 -23.634 41 HG LEU 7 HG LEU 7 14.156 -51.584 -24.605 42 HD11 LEU 7 HD11 LEU 7 11.978 -51.402 -23.180 43 HD12 LEU 7 HD12 LEU 7 13.081 -51.227 -21.814 44 HD13 LEU 7 HD13 LEU 7 13.128 -52.687 -22.804 45 HD21 LEU 7 HD21 LEU 7 13.728 -48.859 -23.401 46 HD22 LEU 7 HD22 LEU 7 12.430 -49.626 -24.318 47 HD23 LEU 7 HD23 LEU 7 13.981 -49.299 -25.091 48 H LYS 8 H LYS 8 17.405 -54.075 -21.925 49 HA LYS 8 HA LYS 8 19.872 -52.587 -22.256 50 HB2 LYS 8 HB2 LYS 8 20.591 -52.556 -20.037 51 HB3 LYS 8 HB3 LYS 8 18.885 -52.135 -19.881 52 HG2 LYS 8 HG2 LYS 8 18.527 -54.715 -19.662 53 HG3 LYS 8 HG3 LYS 8 20.247 -54.746 -19.269 54 HD2 LYS 8 HD2 LYS 8 18.119 -53.119 -17.845 55 HD3 LYS 8 HD3 LYS 8 18.934 -54.549 -17.211 56 HE2 LYS 8 HE2 LYS 8 21.106 -53.106 -17.795 57 HE3 LYS 8 HE3 LYS 8 19.974 -51.773 -17.564 58 HZ1 LYS 8 HZ1 LYS 8 19.908 -52.124 -15.379 59 HZ2 LYS 8 HZ2 LYS 8 21.296 -53.080 -15.591 60 HZ3 LYS 8 HZ3 LYS 8 19.760 -53.805 -15.549 61 HN1 NH2 9 HN1 NH2 9 18.235 -55.719 -21.602 62 HN2 NH2 9 HN2 NH2 9 19.329 -56.400 -22.708 63 H1 A2G 10 H1 A2G 10 6.938 -55.670 -18.777 64 H2 A2G 10 H2 A2G 10 7.287 -58.092 -18.537 65 HN2 A2G 10 HN2 A2G 10 4.830 -57.450 -20.059 66 H3 A2G 10 H3 A2G 10 4.404 -58.165 -17.606 67 HO3 A2G 10 HO3 A2G 10 5.898 -60.341 -17.137 68 H4 A2G 10 H4 A2G 10 5.294 -58.759 -15.423 69 HO4 A2G 10 HO4 A2G 10 7.887 -58.233 -16.378 70 H5 A2G 10 H5 A2G 10 5.046 -56.357 -15.868 71 H6 A2G 10 H6 A2G 10 7.724 -56.611 -14.518 72 H8 A2G 10 H8 A2G 10 4.957 -59.139 -22.235 73 H8A A2G 10 H8A A2G 10 6.468 -58.632 -22.992 74 H8B A2G 10 H8B A2G 10 5.309 -57.423 -22.438 75 H14 A2G 10 H14 A2G 10 6.352 -55.596 -14.076 76 H15 A2G 10 H15 A2G 10 5.242 -57.679 -13.697 77 H1 A2G 11 H1 A2G 11 9.823 -51.077 -21.664 78 H2 A2G 11 H2 A2G 11 9.667 -48.965 -20.417 79 HN2 A2G 11 HN2 A2G 11 9.014 -51.335 -18.767 80 H3 A2G 11 H3 A2G 11 6.941 -49.961 -19.542 81 HO3 A2G 11 HO3 A2G 11 7.940 -48.697 -18.005 82 H4 A2G 11 H4 A2G 11 6.015 -48.179 -20.903 83 HO4 A2G 11 HO4 A2G 11 8.737 -47.567 -21.268 84 H5 A2G 11 H5 A2G 11 6.399 -50.295 -22.081 85 H6 A2G 11 H6 A2G 11 6.295 -49.463 -24.297 86 H8 A2G 11 H8 A2G 11 10.738 -52.063 -17.475 87 H8A A2G 11 H8A A2G 11 10.593 -50.720 -16.340 88 H8B A2G 11 H8B A2G 11 12.115 -50.999 -17.186 89 H14 A2G 11 H14 A2G 11 5.719 -48.118 -23.312 90 H15 A2G 11 H15 A2G 11 7.874 -48.257 -24.913 Start of MODEL 35 1 H1 ACE 1 H1 ACE 1 -1.970 -51.237 -19.784 2 H2 ACE 1 H2 ACE 1 -2.323 -52.017 -18.242 3 H3 ACE 1 H3 ACE 1 -2.890 -52.741 -19.746 4 HA PRO 2 HA PRO 2 0.603 -55.296 -20.399 5 HB2 PRO 2 HB2 PRO 2 1.756 -53.932 -22.657 6 HB3 PRO 2 HB3 PRO 2 0.777 -55.407 -22.653 7 HG2 PRO 2 HG2 PRO 2 0.005 -52.664 -23.280 8 HG3 PRO 2 HG3 PRO 2 -0.810 -54.185 -23.672 9 HD2 PRO 2 HD2 PRO 2 -1.765 -52.396 -21.823 10 HD3 PRO 2 HD3 PRO 2 -2.094 -54.142 -21.756 11 H THR 3 H THR 3 3.081 -55.210 -20.771 12 HA THR 3 HA THR 3 4.312 -52.754 -19.759 13 HB THR 3 HB THR 3 5.558 -53.961 -18.017 14 HG21 THR 3 HG21 THR 3 3.802 -53.977 -16.448 15 HG22 THR 3 HG22 THR 3 2.646 -54.620 -17.611 16 HG23 THR 3 HG23 THR 3 3.171 -52.942 -17.729 17 H THR 4 H THR 4 6.831 -53.357 -19.493 18 HA THR 4 HA THR 4 7.673 -54.946 -21.820 19 HB THR 4 HB THR 4 9.422 -52.993 -22.128 20 HG21 THR 4 HG21 THR 4 7.769 -53.765 -23.807 21 HG22 THR 4 HG22 THR 4 7.911 -52.008 -23.807 22 HG23 THR 4 HG23 THR 4 6.532 -52.781 -23.027 23 H THR 5 H THR 5 9.927 -55.553 -21.773 24 HA THR 5 HA THR 5 10.808 -56.161 -19.078 25 HB THR 5 HB THR 5 12.781 -57.144 -20.605 26 HG1 THR 5 HG1 THR 5 12.075 -56.377 -22.540 27 HG21 THR 5 HG21 THR 5 10.033 -58.167 -19.975 28 HG22 THR 5 HG22 THR 5 11.588 -58.675 -19.318 29 HG23 THR 5 HG23 THR 5 11.121 -59.154 -20.950 30 HA PRO 6 HA PRO 6 13.741 -53.044 -18.215 31 HB2 PRO 6 HB2 PRO 6 16.038 -54.775 -18.075 32 HB3 PRO 6 HB3 PRO 6 15.104 -54.086 -16.739 33 HG2 PRO 6 HG2 PRO 6 15.003 -56.766 -17.893 34 HG3 PRO 6 HG3 PRO 6 14.427 -56.189 -16.322 35 HD2 PRO 6 HD2 PRO 6 12.744 -56.915 -18.358 36 HD3 PRO 6 HD3 PRO 6 12.314 -55.710 -17.124 37 H LEU 7 H LEU 7 14.372 -51.670 -19.772 38 HA LEU 7 HA LEU 7 15.359 -52.557 -22.316 39 HB2 LEU 7 HB2 LEU 7 15.388 -49.755 -21.174 40 HB3 LEU 7 HB3 LEU 7 15.479 -50.211 -22.876 41 HG LEU 7 HG LEU 7 13.184 -51.502 -21.942 42 HD11 LEU 7 HD11 LEU 7 11.886 -49.744 -20.850 43 HD12 LEU 7 HD12 LEU 7 13.264 -48.646 -20.923 44 HD13 LEU 7 HD13 LEU 7 13.331 -50.080 -19.898 45 HD21 LEU 7 HD21 LEU 7 13.349 -50.518 -24.134 46 HD22 LEU 7 HD22 LEU 7 13.610 -48.912 -23.456 47 HD23 LEU 7 HD23 LEU 7 12.035 -49.690 -23.300 48 H LYS 8 H LYS 8 17.278 -53.675 -22.003 49 HA LYS 8 HA LYS 8 19.466 -52.465 -20.530 50 HB2 LYS 8 HB2 LYS 8 19.197 -54.880 -20.434 51 HB3 LYS 8 HB3 LYS 8 19.311 -54.990 -22.191 52 HG2 LYS 8 HG2 LYS 8 21.589 -54.491 -22.212 53 HG3 LYS 8 HG3 LYS 8 21.526 -53.670 -20.653 54 HD2 LYS 8 HD2 LYS 8 21.142 -55.831 -19.525 55 HD3 LYS 8 HD3 LYS 8 21.208 -56.655 -21.083 56 HE2 LYS 8 HE2 LYS 8 23.532 -55.468 -21.316 57 HE3 LYS 8 HE3 LYS 8 23.427 -55.313 -19.562 58 HZ1 LYS 8 HZ1 LYS 8 22.700 -57.926 -20.422 59 HZ2 LYS 8 HZ2 LYS 8 23.894 -57.452 -19.310 60 HZ3 LYS 8 HZ3 LYS 8 24.253 -57.521 -20.970 61 HN1 NH2 9 HN1 NH2 9 21.842 -52.098 -23.054 62 HN2 NH2 9 HN2 NH2 9 21.304 -51.241 -21.691 63 H1 A2G 10 H1 A2G 10 6.699 -55.794 -18.912 64 H2 A2G 10 H2 A2G 10 6.957 -58.199 -18.398 65 HN2 A2G 10 HN2 A2G 10 4.706 -57.662 -20.246 66 H3 A2G 10 H3 A2G 10 3.988 -58.051 -17.811 67 HO3 A2G 10 HO3 A2G 10 5.591 -60.242 -17.212 68 H4 A2G 10 H4 A2G 10 4.601 -58.518 -15.508 69 HO4 A2G 10 HO4 A2G 10 7.313 -58.198 -16.112 70 H5 A2G 10 H5 A2G 10 4.573 -56.146 -16.104 71 H6 A2G 10 H6 A2G 10 7.127 -56.271 -14.585 72 H8 A2G 10 H8 A2G 10 5.339 -59.469 -22.431 73 H8A A2G 10 H8A A2G 10 6.775 -58.577 -22.934 74 H8B A2G 10 H8B A2G 10 5.314 -57.706 -22.464 75 H14 A2G 10 H14 A2G 10 5.626 -55.430 -14.196 76 H15 A2G 10 H15 A2G 10 5.713 -57.099 -12.797 77 H1 A2G 11 H1 A2G 11 9.960 -51.019 -21.474 78 H2 A2G 11 H2 A2G 11 9.470 -48.818 -20.545 79 HN2 A2G 11 HN2 A2G 11 8.561 -50.996 -18.756 80 H3 A2G 11 H3 A2G 11 6.662 -49.873 -20.136 81 HO3 A2G 11 HO3 A2G 11 6.675 -47.350 -19.815 82 H4 A2G 11 H4 A2G 11 5.999 -48.247 -21.817 83 HO4 A2G 11 HO4 A2G 11 8.749 -47.637 -21.736 84 H5 A2G 11 H5 A2G 11 6.610 -50.482 -22.628 85 H6 A2G 11 H6 A2G 11 6.955 -49.916 -24.912 86 H8 A2G 11 H8 A2G 11 10.099 -51.532 -17.117 87 H8A A2G 11 H8A A2G 11 9.627 -50.089 -16.219 88 H8B A2G 11 H8B A2G 11 11.315 -50.337 -16.668 89 H14 A2G 11 H14 A2G 11 6.147 -48.509 -24.222 90 H15 A2G 11 H15 A2G 11 7.903 -47.787 -25.367 Start of MODEL 36 1 H1 ACE 1 H1 ACE 1 0.353 -56.238 -17.494 2 H2 ACE 1 H2 ACE 1 -1.079 -55.653 -18.343 3 H3 ACE 1 H3 ACE 1 -0.318 -54.655 -17.102 4 HA PRO 2 HA PRO 2 1.047 -53.764 -21.669 5 HB2 PRO 2 HB2 PRO 2 0.582 -51.002 -20.996 6 HB3 PRO 2 HB3 PRO 2 -0.253 -51.989 -22.205 7 HG2 PRO 2 HG2 PRO 2 -1.091 -51.251 -19.508 8 HG3 PRO 2 HG3 PRO 2 -2.054 -51.842 -20.868 9 HD2 PRO 2 HD2 PRO 2 -1.531 -53.346 -18.640 10 HD3 PRO 2 HD3 PRO 2 -1.819 -54.055 -20.245 11 H THR 3 H THR 3 3.128 -54.415 -20.824 12 HA THR 3 HA THR 3 4.785 -52.112 -20.075 13 HB THR 3 HB THR 3 5.924 -53.432 -18.315 14 HG21 THR 3 HG21 THR 3 4.344 -52.972 -16.660 15 HG22 THR 3 HG22 THR 3 2.996 -53.518 -17.656 16 HG23 THR 3 HG23 THR 3 3.762 -51.964 -17.985 17 H THR 4 H THR 4 7.159 -52.732 -20.174 18 HA THR 4 HA THR 4 7.565 -54.446 -22.536 19 HB THR 4 HB THR 4 9.916 -53.174 -22.298 20 HG21 THR 4 HG21 THR 4 8.415 -53.111 -24.256 21 HG22 THR 4 HG22 THR 4 9.021 -51.499 -23.876 22 HG23 THR 4 HG23 THR 4 7.378 -51.952 -23.423 23 H THR 5 H THR 5 9.521 -55.765 -22.609 24 HA THR 5 HA THR 5 9.900 -57.190 -20.112 25 HB THR 5 HB THR 5 10.054 -58.845 -21.627 26 HG1 THR 5 HG1 THR 5 12.136 -59.092 -21.406 27 HG21 THR 5 HG21 THR 5 10.681 -56.686 -23.657 28 HG22 THR 5 HG22 THR 5 9.112 -57.435 -23.368 29 HG23 THR 5 HG23 THR 5 10.428 -58.385 -24.056 30 HA PRO 6 HA PRO 6 13.612 -55.582 -18.480 31 HB2 PRO 6 HB2 PRO 6 15.260 -57.907 -18.905 32 HB3 PRO 6 HB3 PRO 6 14.493 -57.368 -17.402 33 HG2 PRO 6 HG2 PRO 6 13.657 -59.445 -19.277 34 HG3 PRO 6 HG3 PRO 6 13.183 -59.185 -17.592 35 HD2 PRO 6 HD2 PRO 6 11.496 -58.748 -19.705 36 HD3 PRO 6 HD3 PRO 6 11.375 -57.866 -18.166 37 H LEU 7 H LEU 7 14.231 -54.032 -19.973 38 HA LEU 7 HA LEU 7 16.556 -54.597 -21.554 39 HB2 LEU 7 HB2 LEU 7 14.370 -55.297 -22.904 40 HB3 LEU 7 HB3 LEU 7 14.323 -53.567 -23.238 41 HG LEU 7 HG LEU 7 16.671 -55.415 -23.754 42 HD11 LEU 7 HD11 LEU 7 14.765 -53.961 -25.613 43 HD12 LEU 7 HD12 LEU 7 14.859 -55.706 -25.374 44 HD13 LEU 7 HD13 LEU 7 16.200 -54.845 -26.132 45 HD21 LEU 7 HD21 LEU 7 16.290 -52.428 -23.980 46 HD22 LEU 7 HD22 LEU 7 17.479 -53.273 -24.972 47 HD23 LEU 7 HD23 LEU 7 17.612 -53.311 -23.215 48 H LYS 8 H LYS 8 17.736 -52.868 -21.058 49 HA LYS 8 HA LYS 8 16.491 -50.316 -20.455 50 HB2 LYS 8 HB2 LYS 8 18.501 -51.307 -19.233 51 HB3 LYS 8 HB3 LYS 8 19.449 -50.880 -20.658 52 HG2 LYS 8 HG2 LYS 8 18.492 -48.518 -20.403 53 HG3 LYS 8 HG3 LYS 8 17.938 -49.028 -18.808 54 HD2 LYS 8 HD2 LYS 8 20.806 -49.093 -19.791 55 HD3 LYS 8 HD3 LYS 8 20.135 -47.937 -18.641 56 HE2 LYS 8 HE2 LYS 8 21.031 -49.484 -17.170 57 HE3 LYS 8 HE3 LYS 8 19.410 -50.152 -17.363 58 HZ1 LYS 8 HZ1 LYS 8 21.866 -50.988 -18.806 59 HZ2 LYS 8 HZ2 LYS 8 20.305 -51.553 -19.170 60 HZ3 LYS 8 HZ3 LYS 8 21.004 -51.889 -17.658 61 HN1 NH2 9 HN1 NH2 9 16.136 -49.168 -23.316 62 HN2 NH2 9 HN2 NH2 9 16.970 -48.215 -22.187 63 H1 A2G 10 H1 A2G 10 6.662 -55.467 -18.955 64 H2 A2G 10 H2 A2G 10 6.496 -57.828 -18.296 65 HN2 A2G 10 HN2 A2G 10 4.356 -57.063 -20.194 66 H3 A2G 10 H3 A2G 10 3.581 -57.212 -17.745 67 HO3 A2G 10 HO3 A2G 10 3.755 -59.391 -16.883 68 H4 A2G 10 H4 A2G 10 4.116 -57.556 -15.400 69 HO4 A2G 10 HO4 A2G 10 6.833 -57.735 -16.148 70 H5 A2G 10 H5 A2G 10 4.399 -55.268 -16.244 71 H6 A2G 10 H6 A2G 10 6.855 -55.610 -14.583 72 H8 A2G 10 H8 A2G 10 4.534 -59.282 -22.058 73 H8A A2G 10 H8A A2G 10 6.080 -58.777 -22.739 74 H8B A2G 10 H8B A2G 10 4.833 -57.577 -22.397 75 H14 A2G 10 H14 A2G 10 5.513 -54.485 -14.380 76 H15 A2G 10 H15 A2G 10 4.270 -56.504 -13.907 77 H1 A2G 11 H1 A2G 11 10.899 -51.632 -21.294 78 H2 A2G 11 H2 A2G 11 10.982 -49.582 -19.942 79 HN2 A2G 11 HN2 A2G 11 9.334 -51.713 -18.715 80 H3 A2G 11 H3 A2G 11 7.962 -49.811 -19.847 81 HO3 A2G 11 HO3 A2G 11 9.897 -48.341 -18.533 82 H4 A2G 11 H4 A2G 11 7.914 -47.817 -21.228 83 HO4 A2G 11 HO4 A2G 11 10.588 -47.824 -20.585 84 H5 A2G 11 H5 A2G 11 8.026 -49.932 -22.462 85 H6 A2G 11 H6 A2G 11 8.558 -49.008 -24.526 86 H8 A2G 11 H8 A2G 11 10.304 -52.847 -17.055 87 H8A A2G 11 H8A A2G 11 10.412 -51.527 -15.888 88 H8B A2G 11 H8B A2G 11 11.878 -52.332 -16.448 89 H14 A2G 11 H14 A2G 11 8.409 -47.542 -23.556 90 H15 A2G 11 H15 A2G 11 10.392 -47.888 -24.902
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