NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
536558 | 2lhw | 17869 | 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 -68.334 -69.381 -32.706 2 H2 ACE 1 H2 ACE 1 -69.908 -69.359 -33.502 3 H3 ACE 1 H3 ACE 1 -68.630 -68.270 -34.043 4 HA PRO 2 HA PRO 2 -66.965 -70.930 -37.093 5 HB2 PRO 2 HB2 PRO 2 -64.486 -71.612 -35.795 6 HB3 PRO 2 HB3 PRO 2 -64.756 -70.439 -37.093 7 HG2 PRO 2 HG2 PRO 2 -64.422 -69.999 -34.225 8 HG3 PRO 2 HG3 PRO 2 -64.254 -68.862 -35.571 9 HD2 PRO 2 HD2 PRO 2 -66.330 -68.771 -33.786 10 HD3 PRO 2 HD3 PRO 2 -66.466 -68.204 -35.466 11 H THR 3 H THR 3 -66.981 -73.100 -37.615 12 HA THR 3 HA THR 3 -66.722 -75.094 -35.487 13 HB THR 3 HB THR 3 -68.901 -76.142 -36.578 14 HG21 THR 3 HG21 THR 3 -68.618 -75.538 -34.197 15 HG22 THR 3 HG22 THR 3 -70.218 -75.083 -34.785 16 HG23 THR 3 HG23 THR 3 -68.968 -73.854 -34.588 17 H THR 4 H THR 4 -66.682 -77.319 -36.370 18 HA THR 4 HA THR 4 -65.363 -77.323 -39.003 19 HB THR 4 HB THR 4 -64.497 -79.550 -38.290 20 HG21 THR 4 HG21 THR 4 -63.988 -77.514 -36.119 21 HG22 THR 4 HG22 THR 4 -63.379 -77.289 -37.759 22 HG23 THR 4 HG23 THR 4 -62.860 -78.681 -36.808 23 H THR 5 H THR 5 -66.078 -78.570 -40.678 24 HA THR 5 HA THR 5 -68.791 -79.648 -40.416 25 HB THR 5 HB THR 5 -68.287 -79.935 -43.026 26 HG21 THR 5 HG21 THR 5 -69.192 -77.649 -43.335 27 HG22 THR 5 HG22 THR 5 -68.845 -77.294 -41.643 28 HG23 THR 5 HG23 THR 5 -70.046 -78.517 -42.059 29 HA PRO 6 HA PRO 6 -67.934 -83.924 -40.268 30 HB2 PRO 6 HB2 PRO 6 -69.253 -84.605 -42.737 31 HB3 PRO 6 HB3 PRO 6 -69.854 -84.802 -41.084 32 HG2 PRO 6 HG2 PRO 6 -70.462 -82.732 -43.051 33 HG3 PRO 6 HG3 PRO 6 -71.350 -83.203 -41.595 34 HD2 PRO 6 HD2 PRO 6 -69.972 -80.846 -41.808 35 HD3 PRO 6 HD3 PRO 6 -70.235 -81.681 -40.261 36 H LEU 7 H LEU 7 -65.727 -84.066 -40.620 37 HA LEU 7 HA LEU 7 -64.427 -83.618 -43.089 38 HB2 LEU 7 HB2 LEU 7 -63.697 -84.414 -40.442 39 HB3 LEU 7 HB3 LEU 7 -62.960 -85.536 -41.586 40 HG LEU 7 HG LEU 7 -62.811 -82.518 -41.827 41 HD11 LEU 7 HD11 LEU 7 -61.158 -82.591 -40.302 42 HD12 LEU 7 HD12 LEU 7 -60.271 -83.697 -41.350 43 HD13 LEU 7 HD13 LEU 7 -61.369 -84.333 -40.125 44 HD21 LEU 7 HD21 LEU 7 -60.756 -84.032 -43.174 45 HD22 LEU 7 HD22 LEU 7 -61.934 -82.916 -43.865 46 HD23 LEU 7 HD23 LEU 7 -62.343 -84.621 -43.669 47 H LYS 8 H LYS 8 -65.019 -84.706 -44.873 48 HA LYS 8 HA LYS 8 -65.852 -87.472 -44.779 49 HB2 LYS 8 HB2 LYS 8 -66.790 -85.766 -46.377 50 HB3 LYS 8 HB3 LYS 8 -65.238 -85.789 -47.215 51 HG2 LYS 8 HG2 LYS 8 -65.926 -88.491 -46.894 52 HG3 LYS 8 HG3 LYS 8 -67.424 -87.690 -47.371 53 HD2 LYS 8 HD2 LYS 8 -66.261 -86.655 -49.288 54 HD3 LYS 8 HD3 LYS 8 -64.767 -87.468 -48.817 55 HE2 LYS 8 HE2 LYS 8 -65.737 -89.640 -49.211 56 HE3 LYS 8 HE3 LYS 8 -67.339 -88.940 -49.441 57 HZ1 LYS 8 HZ1 LYS 8 -66.766 -88.068 -51.475 58 HZ2 LYS 8 HZ2 LYS 8 -65.905 -89.533 -51.487 59 HZ3 LYS 8 HZ3 LYS 8 -65.102 -88.075 -51.146 60 HN1 NH2 9 HN1 NH2 9 -62.639 -87.308 -47.162 61 HN2 NH2 9 HN2 NH2 9 -62.774 -85.910 -46.208 62 H1 A2G 10 H1 A2G 10 -70.461 -75.802 -37.920 63 H2 A2G 10 H2 A2G 10 -71.992 -74.370 -39.203 64 HN2 A2G 10 HN2 A2G 10 -69.151 -73.685 -39.679 65 H3 A2G 10 H3 A2G 10 -70.378 -72.063 -38.081 66 HO3 A2G 10 HO3 A2G 10 -72.818 -71.761 -39.361 67 H4 A2G 10 H4 A2G 10 -72.376 -71.487 -36.823 68 HO4 A2G 10 HO4 A2G 10 -73.508 -73.133 -38.581 69 H5 A2G 10 H5 A2G 10 -70.828 -73.049 -35.731 70 H6 A2G 10 H6 A2G 10 -73.554 -74.199 -35.191 71 H8 A2G 10 H8 A2G 10 -69.120 -73.571 -42.607 72 H8A A2G 10 H8A A2G 10 -69.360 -75.310 -42.784 73 H8B A2G 10 H8B A2G 10 -68.269 -74.691 -41.543 74 H14 A2G 10 H14 A2G 10 -72.288 -73.759 -34.045 75 H15 A2G 10 H15 A2G 10 -73.154 -71.872 -33.917 76 H1 A2G 11 H1 A2G 11 -66.224 -80.943 -37.742 77 H2 A2G 11 H2 A2G 11 -66.913 -82.426 -35.907 78 HN2 A2G 11 HN2 A2G 11 -67.906 -79.654 -35.590 79 H3 A2G 11 H3 A2G 11 -65.861 -80.247 -34.083 80 HO3 A2G 11 HO3 A2G 11 -66.449 -82.765 -33.152 81 H4 A2G 11 H4 A2G 11 -64.119 -81.826 -33.467 82 HO4 A2G 11 HO4 A2G 11 -65.410 -83.704 -33.862 83 H5 A2G 11 H5 A2G 11 -63.636 -80.388 -35.397 84 H6 A2G 11 H6 A2G 11 -61.986 -81.874 -36.559 85 H8 A2G 11 H8 A2G 11 -70.254 -79.559 -36.525 86 H8A A2G 11 H8A A2G 11 -70.418 -79.880 -34.799 87 H8B A2G 11 H8B A2G 11 -71.228 -80.920 -35.970 88 H14 A2G 11 H14 A2G 11 -61.909 -82.008 -34.802 89 H15 A2G 11 H15 A2G 11 -63.639 -83.703 -36.183 90 H1 A2G 12 H1 A2G 12 -66.108 -80.387 -43.337 91 H2 A2G 12 H2 A2G 12 -64.065 -79.490 -44.368 92 HN2 A2G 12 HN2 A2G 12 -64.405 -78.425 -41.626 93 H3 A2G 12 H3 A2G 12 -65.085 -76.788 -43.448 94 HO3 A2G 12 HO3 A2G 12 -63.197 -76.422 -45.081 95 H4 A2G 12 H4 A2G 12 -65.386 -76.279 -45.805 96 HO4 A2G 12 HO4 A2G 12 -64.782 -78.966 -46.398 97 H5 A2G 12 H5 A2G 12 -67.294 -77.337 -44.680 98 H6 A2G 12 H6 A2G 12 -67.146 -76.983 -47.279 99 H8 A2G 12 H8 A2G 12 -63.067 -79.114 -40.079 100 H8A A2G 12 H8A A2G 12 -61.477 -79.631 -40.639 101 H8B A2G 12 H8B A2G 12 -62.713 -80.832 -40.266 102 H14 A2G 12 H14 A2G 12 -67.097 -78.745 -47.332 103 H15 A2G 12 H15 A2G 12 -69.097 -77.091 -46.202 Start of MODEL 2 1 H1 ACE 1 H1 ACE 1 -69.491 -68.753 -37.662 2 H2 ACE 1 H2 ACE 1 -70.273 -69.999 -36.692 3 H3 ACE 1 H3 ACE 1 -70.092 -70.221 -38.432 4 HA PRO 2 HA PRO 2 -65.697 -70.741 -36.564 5 HB2 PRO 2 HB2 PRO 2 -65.881 -70.853 -33.690 6 HB3 PRO 2 HB3 PRO 2 -65.056 -69.646 -34.689 7 HG2 PRO 2 HG2 PRO 2 -67.312 -69.195 -33.159 8 HG3 PRO 2 HG3 PRO 2 -66.747 -68.175 -34.490 9 HD2 PRO 2 HD2 PRO 2 -68.971 -70.162 -34.455 10 HD3 PRO 2 HD3 PRO 2 -68.795 -68.675 -35.415 11 H THR 3 H THR 3 -68.065 -72.575 -36.772 12 HA THR 3 HA THR 3 -67.318 -74.782 -34.997 13 HB THR 3 HB THR 3 -69.312 -75.903 -35.988 14 HG21 THR 3 HG21 THR 3 -70.778 -74.746 -34.638 15 HG22 THR 3 HG22 THR 3 -70.264 -73.174 -35.250 16 HG23 THR 3 HG23 THR 3 -69.269 -74.031 -34.073 17 H THR 4 H THR 4 -66.751 -76.854 -35.799 18 HA THR 4 HA THR 4 -65.370 -76.740 -38.396 19 HB THR 4 HB THR 4 -64.162 -78.754 -37.566 20 HG21 THR 4 HG21 THR 4 -62.755 -77.568 -36.063 21 HG22 THR 4 HG22 THR 4 -64.090 -76.582 -35.468 22 HG23 THR 4 HG23 THR 4 -63.458 -76.324 -37.094 23 H THR 5 H THR 5 -65.772 -78.201 -40.016 24 HA THR 5 HA THR 5 -68.301 -79.666 -39.805 25 HB THR 5 HB THR 5 -68.014 -79.942 -42.281 26 HG21 THR 5 HG21 THR 5 -68.648 -77.712 -42.789 27 HG22 THR 5 HG22 THR 5 -67.664 -77.050 -41.484 28 HG23 THR 5 HG23 THR 5 -69.140 -77.941 -41.111 29 HA PRO 6 HA PRO 6 -66.381 -83.605 -39.551 30 HB2 PRO 6 HB2 PRO 6 -68.387 -84.921 -41.147 31 HB3 PRO 6 HB3 PRO 6 -68.257 -84.859 -39.383 32 HG2 PRO 6 HG2 PRO 6 -70.226 -83.643 -40.892 33 HG3 PRO 6 HG3 PRO 6 -69.807 -83.237 -39.222 34 HD2 PRO 6 HD2 PRO 6 -69.111 -81.800 -41.740 35 HD3 PRO 6 HD3 PRO 6 -69.361 -81.156 -40.101 36 H LEU 7 H LEU 7 -65.625 -85.513 -40.875 37 HA LEU 7 HA LEU 7 -64.102 -84.646 -43.091 38 HB2 LEU 7 HB2 LEU 7 -64.760 -87.351 -41.946 39 HB3 LEU 7 HB3 LEU 7 -63.816 -87.195 -43.429 40 HG LEU 7 HG LEU 7 -62.404 -87.324 -41.358 41 HD11 LEU 7 HD11 LEU 7 -62.099 -85.750 -43.589 42 HD12 LEU 7 HD12 LEU 7 -60.856 -85.996 -42.361 43 HD13 LEU 7 HD13 LEU 7 -61.897 -84.574 -42.289 44 HD21 LEU 7 HD21 LEU 7 -64.129 -85.968 -40.014 45 HD22 LEU 7 HD22 LEU 7 -63.433 -84.540 -40.781 46 HD23 LEU 7 HD23 LEU 7 -62.432 -85.566 -39.753 47 H LYS 8 H LYS 8 -64.197 -85.582 -45.286 48 HA LYS 8 HA LYS 8 -66.861 -85.300 -46.371 49 HB2 LYS 8 HB2 LYS 8 -64.598 -84.515 -47.397 50 HB3 LYS 8 HB3 LYS 8 -64.472 -86.181 -47.964 51 HG2 LYS 8 HG2 LYS 8 -65.612 -85.244 -49.748 52 HG3 LYS 8 HG3 LYS 8 -66.975 -85.740 -48.744 53 HD2 LYS 8 HD2 LYS 8 -66.627 -83.345 -47.662 54 HD3 LYS 8 HD3 LYS 8 -65.871 -82.997 -49.218 55 HE2 LYS 8 HE2 LYS 8 -67.956 -83.968 -50.310 56 HE3 LYS 8 HE3 LYS 8 -68.698 -83.952 -48.710 57 HZ1 LYS 8 HZ1 LYS 8 -67.462 -81.469 -49.212 58 HZ2 LYS 8 HZ2 LYS 8 -69.101 -81.801 -48.917 59 HZ3 LYS 8 HZ3 LYS 8 -68.494 -81.844 -50.503 60 HN1 NH2 9 HN1 NH2 9 -68.117 -87.386 -45.783 61 HN2 NH2 9 HN2 NH2 9 -67.937 -88.335 -47.179 62 H1 A2G 10 H1 A2G 10 -69.380 -76.146 -38.240 63 H2 A2G 10 H2 A2G 10 -70.838 -75.586 -40.137 64 HN2 A2G 10 HN2 A2G 10 -68.862 -73.450 -39.592 65 H3 A2G 10 H3 A2G 10 -71.234 -72.932 -38.730 66 HO3 A2G 10 HO3 A2G 10 -71.966 -72.340 -40.587 67 H4 A2G 10 H4 A2G 10 -73.529 -73.646 -38.372 68 HO4 A2G 10 HO4 A2G 10 -73.527 -76.179 -38.889 69 H5 A2G 10 H5 A2G 10 -71.919 -74.284 -36.631 70 H6 A2G 10 H6 A2G 10 -73.580 -76.757 -37.019 71 H8 A2G 10 H8 A2G 10 -67.951 -72.935 -42.303 72 H8A A2G 10 H8A A2G 10 -67.068 -74.454 -42.449 73 H8B A2G 10 H8B A2G 10 -66.991 -73.530 -40.949 74 H14 A2G 10 H14 A2G 10 -73.290 -75.831 -35.546 75 H15 A2G 10 H15 A2G 10 -75.170 -75.016 -36.004 76 H1 A2G 11 H1 A2G 11 -65.604 -80.396 -37.038 77 H2 A2G 11 H2 A2G 11 -66.213 -81.907 -35.198 78 HN2 A2G 11 HN2 A2G 11 -67.645 -79.319 -35.086 79 H3 A2G 11 H3 A2G 11 -65.673 -79.532 -33.397 80 HO3 A2G 11 HO3 A2G 11 -65.846 -81.874 -32.169 81 H4 A2G 11 H4 A2G 11 -63.768 -80.794 -32.571 82 HO4 A2G 11 HO4 A2G 11 -64.924 -82.847 -33.221 83 H5 A2G 11 H5 A2G 11 -63.347 -79.362 -34.520 84 H6 A2G 11 H6 A2G 11 -61.306 -80.370 -35.248 85 H8 A2G 11 H8 A2G 11 -69.778 -79.425 -35.992 86 H8A A2G 11 H8A A2G 11 -70.341 -80.210 -34.517 87 H8B A2G 11 H8B A2G 11 -70.583 -80.992 -36.079 88 H14 A2G 11 H14 A2G 11 -61.565 -80.968 -33.609 89 H15 A2G 11 H15 A2G 11 -61.520 -82.873 -34.446 90 H1 A2G 12 H1 A2G 12 -66.245 -80.780 -43.185 91 H2 A2G 12 H2 A2G 12 -64.241 -80.361 -44.533 92 HN2 A2G 12 HN2 A2G 12 -63.842 -79.742 -41.666 93 H3 A2G 12 H3 A2G 12 -64.168 -77.651 -43.178 94 HO3 A2G 12 HO3 A2G 12 -62.435 -77.350 -44.590 95 H4 A2G 12 H4 A2G 12 -64.736 -76.713 -45.342 96 HO4 A2G 12 HO4 A2G 12 -64.319 -77.865 -47.021 97 H5 A2G 12 H5 A2G 12 -66.648 -77.349 -43.941 98 H6 A2G 12 H6 A2G 12 -67.431 -76.445 -45.959 99 H8 A2G 12 H8 A2G 12 -62.190 -80.739 -40.636 100 H8A A2G 12 H8A A2G 12 -61.025 -81.656 -41.592 101 H8B A2G 12 H8B A2G 12 -62.460 -82.454 -40.948 102 H14 A2G 12 H14 A2G 12 -66.821 -77.798 -46.913 103 H15 A2G 12 H15 A2G 12 -68.854 -78.088 -44.972 Start of MODEL 3 1 H1 ACE 1 H1 ACE 1 -70.489 -70.926 -31.436 2 H2 ACE 1 H2 ACE 1 -69.088 -69.881 -31.677 3 H3 ACE 1 H3 ACE 1 -68.895 -71.448 -30.891 4 HA PRO 2 HA PRO 2 -68.040 -71.354 -35.663 5 HB2 PRO 2 HB2 PRO 2 -65.640 -72.804 -34.998 6 HB3 PRO 2 HB3 PRO 2 -65.783 -71.195 -35.725 7 HG2 PRO 2 HG2 PRO 2 -65.230 -71.943 -32.958 8 HG3 PRO 2 HG3 PRO 2 -64.948 -70.409 -33.791 9 HD2 PRO 2 HD2 PRO 2 -66.884 -70.741 -31.882 10 HD3 PRO 2 HD3 PRO 2 -67.015 -69.558 -33.202 11 H THR 3 H THR 3 -67.433 -73.434 -36.911 12 HA THR 3 HA THR 3 -68.192 -75.894 -35.515 13 HB THR 3 HB THR 3 -69.615 -75.943 -37.965 14 HG21 THR 3 HG21 THR 3 -70.539 -75.629 -35.093 15 HG22 THR 3 HG22 THR 3 -70.220 -77.155 -35.917 16 HG23 THR 3 HG23 THR 3 -71.562 -76.135 -36.436 17 H THR 4 H THR 4 -67.854 -77.822 -36.884 18 HA THR 4 HA THR 4 -66.006 -77.388 -39.132 19 HB THR 4 HB THR 4 -64.509 -79.164 -38.224 20 HG21 THR 4 HG21 THR 4 -64.208 -76.646 -37.815 21 HG22 THR 4 HG22 THR 4 -63.355 -77.731 -36.716 22 HG23 THR 4 HG23 THR 4 -64.848 -76.946 -36.200 23 H THR 5 H THR 5 -66.142 -78.904 -40.737 24 HA THR 5 HA THR 5 -68.379 -80.785 -40.536 25 HB THR 5 HB THR 5 -67.543 -81.044 -43.086 26 HG21 THR 5 HG21 THR 5 -69.168 -78.735 -41.982 27 HG22 THR 5 HG22 THR 5 -69.790 -80.344 -42.349 28 HG23 THR 5 HG23 THR 5 -69.205 -79.305 -43.650 29 HA PRO 6 HA PRO 6 -65.848 -84.365 -40.329 30 HB2 PRO 6 HB2 PRO 6 -67.408 -85.917 -42.191 31 HB3 PRO 6 HB3 PRO 6 -67.472 -85.939 -40.422 32 HG2 PRO 6 HG2 PRO 6 -69.464 -85.002 -42.090 33 HG3 PRO 6 HG3 PRO 6 -69.300 -84.629 -40.369 34 HD2 PRO 6 HD2 PRO 6 -68.622 -82.942 -42.732 35 HD3 PRO 6 HD3 PRO 6 -69.152 -82.453 -41.107 36 H LEU 7 H LEU 7 -65.000 -82.452 -42.353 37 HA LEU 7 HA LEU 7 -64.062 -82.401 -44.543 38 HB2 LEU 7 HB2 LEU 7 -62.281 -84.305 -43.009 39 HB3 LEU 7 HB3 LEU 7 -61.802 -83.200 -44.298 40 HG LEU 7 HG LEU 7 -62.977 -81.447 -42.601 41 HD11 LEU 7 HD11 LEU 7 -61.530 -83.303 -40.722 42 HD12 LEU 7 HD12 LEU 7 -63.255 -83.510 -41.025 43 HD13 LEU 7 HD13 LEU 7 -62.654 -82.000 -40.340 44 HD21 LEU 7 HD21 LEU 7 -60.133 -82.493 -42.613 45 HD22 LEU 7 HD22 LEU 7 -60.617 -81.038 -41.741 46 HD23 LEU 7 HD23 LEU 7 -60.772 -81.106 -43.497 47 H LYS 8 H LYS 8 -66.087 -83.935 -45.124 48 HA LYS 8 HA LYS 8 -64.982 -85.924 -46.903 49 HB2 LYS 8 HB2 LYS 8 -65.126 -87.285 -44.900 50 HB3 LYS 8 HB3 LYS 8 -66.790 -86.767 -44.626 51 HG2 LYS 8 HG2 LYS 8 -66.311 -87.876 -47.312 52 HG3 LYS 8 HG3 LYS 8 -66.069 -89.035 -46.004 53 HD2 LYS 8 HD2 LYS 8 -68.505 -87.275 -45.990 54 HD3 LYS 8 HD3 LYS 8 -68.474 -88.713 -47.012 55 HE2 LYS 8 HE2 LYS 8 -67.925 -90.102 -45.046 56 HE3 LYS 8 HE3 LYS 8 -67.962 -88.665 -44.022 57 HZ1 LYS 8 HZ1 LYS 8 -70.194 -89.983 -45.432 58 HZ2 LYS 8 HZ2 LYS 8 -70.303 -88.356 -44.956 59 HZ3 LYS 8 HZ3 LYS 8 -70.069 -89.571 -43.792 60 HN1 NH2 9 HN1 NH2 9 -66.466 -85.608 -48.902 61 HN2 NH2 9 HN2 NH2 9 -67.945 -86.340 -48.507 62 H1 A2G 10 H1 A2G 10 -71.435 -74.973 -38.488 63 H2 A2G 10 H2 A2G 10 -70.963 -73.425 -40.337 64 HN2 A2G 10 HN2 A2G 10 -68.517 -74.623 -39.177 65 H3 A2G 10 H3 A2G 10 -68.967 -72.160 -38.440 66 HO3 A2G 10 HO3 A2G 10 -68.204 -71.786 -40.395 67 H4 A2G 10 H4 A2G 10 -70.443 -70.230 -38.428 68 HO4 A2G 10 HO4 A2G 10 -71.861 -71.800 -40.283 69 H5 A2G 10 H5 A2G 10 -70.902 -71.948 -36.735 70 H6 A2G 10 H6 A2G 10 -73.626 -71.212 -37.762 71 H8 A2G 10 H8 A2G 10 -67.064 -75.357 -41.578 72 H8A A2G 10 H8A A2G 10 -68.213 -76.598 -42.075 73 H8B A2G 10 H8B A2G 10 -67.756 -76.449 -40.378 74 H14 A2G 10 H14 A2G 10 -73.006 -71.154 -36.112 75 H15 A2G 10 H15 A2G 10 -73.180 -69.167 -37.757 76 H1 A2G 11 H1 A2G 11 -65.657 -80.980 -37.710 77 H2 A2G 11 H2 A2G 11 -66.210 -82.541 -35.895 78 HN2 A2G 11 HN2 A2G 11 -68.003 -80.186 -35.833 79 H3 A2G 11 H3 A2G 11 -66.139 -80.096 -34.106 80 HO3 A2G 11 HO3 A2G 11 -66.115 -82.306 -32.747 81 H4 A2G 11 H4 A2G 11 -64.160 -81.085 -33.102 82 HO4 A2G 11 HO4 A2G 11 -65.000 -83.227 -34.582 83 H5 A2G 11 H5 A2G 11 -63.771 -79.629 -35.041 84 H6 A2G 11 H6 A2G 11 -61.580 -80.506 -35.730 85 H8 A2G 11 H8 A2G 11 -70.019 -80.643 -37.262 86 H8A A2G 11 H8A A2G 11 -70.444 -81.230 -35.655 87 H8B A2G 11 H8B A2G 11 -70.623 -82.286 -37.056 88 H14 A2G 11 H14 A2G 11 -61.823 -80.779 -34.004 89 H15 A2G 11 H15 A2G 11 -61.070 -82.593 -35.454 90 H1 A2G 12 H1 A2G 12 -65.372 -80.660 -43.298 91 H2 A2G 12 H2 A2G 12 -63.717 -79.102 -44.230 92 HN2 A2G 12 HN2 A2G 12 -64.639 -78.332 -41.524 93 H3 A2G 12 H3 A2G 12 -65.682 -76.929 -43.455 94 HO3 A2G 12 HO3 A2G 12 -64.107 -75.696 -44.677 95 H4 A2G 12 H4 A2G 12 -66.011 -76.582 -45.834 96 HO4 A2G 12 HO4 A2G 12 -64.190 -77.130 -46.814 97 H5 A2G 12 H5 A2G 12 -67.481 -78.259 -44.813 98 H6 A2G 12 H6 A2G 12 -67.589 -77.895 -47.284 99 H8 A2G 12 H8 A2G 12 -63.174 -78.250 -39.922 100 H8A A2G 12 H8A A2G 12 -61.473 -78.118 -40.370 101 H8B A2G 12 H8B A2G 12 -62.183 -79.703 -40.065 102 H14 A2G 12 H14 A2G 12 -66.455 -79.229 -47.501 103 H15 A2G 12 H15 A2G 12 -68.456 -80.102 -47.688 Start of MODEL 4 1 H1 ACE 1 H1 ACE 1 -69.224 -69.649 -33.681 2 H2 ACE 1 H2 ACE 1 -67.997 -68.518 -34.252 3 H3 ACE 1 H3 ACE 1 -67.619 -69.643 -32.948 4 HA PRO 2 HA PRO 2 -66.388 -71.082 -37.413 5 HB2 PRO 2 HB2 PRO 2 -63.841 -71.718 -36.227 6 HB3 PRO 2 HB3 PRO 2 -64.194 -70.531 -37.492 7 HG2 PRO 2 HG2 PRO 2 -63.757 -70.129 -34.633 8 HG3 PRO 2 HG3 PRO 2 -63.672 -68.966 -35.964 9 HD2 PRO 2 HD2 PRO 2 -65.677 -68.960 -34.096 10 HD3 PRO 2 HD3 PRO 2 -65.895 -68.370 -35.760 11 H THR 3 H THR 3 -67.621 -72.935 -37.343 12 HA THR 3 HA THR 3 -66.985 -75.015 -35.380 13 HB THR 3 HB THR 3 -68.991 -76.151 -36.329 14 HG21 THR 3 HG21 THR 3 -68.904 -74.053 -34.608 15 HG22 THR 3 HG22 THR 3 -70.396 -74.884 -35.046 16 HG23 THR 3 HG23 THR 3 -69.951 -73.385 -35.860 17 H THR 4 H THR 4 -67.592 -77.297 -36.752 18 HA THR 4 HA THR 4 -65.755 -77.388 -39.050 19 HB THR 4 HB THR 4 -64.726 -79.461 -38.119 20 HG21 THR 4 HG21 THR 4 -64.437 -77.206 -36.134 21 HG22 THR 4 HG22 THR 4 -63.816 -77.072 -37.780 22 HG23 THR 4 HG23 THR 4 -63.200 -78.327 -36.705 23 H THR 5 H THR 5 -66.316 -78.844 -40.613 24 HA THR 5 HA THR 5 -68.939 -80.114 -40.305 25 HB THR 5 HB THR 5 -68.307 -80.604 -42.869 26 HG21 THR 5 HG21 THR 5 -70.256 -79.376 -42.475 27 HG22 THR 5 HG22 THR 5 -69.233 -78.178 -43.268 28 HG23 THR 5 HG23 THR 5 -69.414 -78.161 -41.514 29 HA PRO 6 HA PRO 6 -67.755 -84.274 -39.743 30 HB2 PRO 6 HB2 PRO 6 -68.913 -85.285 -42.179 31 HB3 PRO 6 HB3 PRO 6 -69.564 -85.380 -40.535 32 HG2 PRO 6 HG2 PRO 6 -70.255 -83.555 -42.708 33 HG3 PRO 6 HG3 PRO 6 -71.161 -83.965 -41.244 34 HD2 PRO 6 HD2 PRO 6 -69.968 -81.530 -41.634 35 HD3 PRO 6 HD3 PRO 6 -70.226 -82.240 -40.024 36 H LEU 7 H LEU 7 -65.501 -83.506 -40.232 37 HA LEU 7 HA LEU 7 -63.648 -83.321 -41.727 38 HB2 LEU 7 HB2 LEU 7 -64.095 -85.732 -40.375 39 HB3 LEU 7 HB3 LEU 7 -63.609 -86.205 -42.004 40 HG LEU 7 HG LEU 7 -61.621 -85.946 -40.606 41 HD11 LEU 7 HD11 LEU 7 -61.361 -83.441 -42.121 42 HD12 LEU 7 HD12 LEU 7 -62.030 -84.769 -43.068 43 HD13 LEU 7 HD13 LEU 7 -60.462 -84.950 -42.281 44 HD21 LEU 7 HD21 LEU 7 -61.682 -83.085 -40.235 45 HD22 LEU 7 HD22 LEU 7 -61.503 -84.350 -39.019 46 HD23 LEU 7 HD23 LEU 7 -63.113 -83.808 -39.498 47 H LYS 8 H LYS 8 -65.614 -82.678 -43.406 48 HA LYS 8 HA LYS 8 -65.877 -84.569 -45.576 49 HB2 LYS 8 HB2 LYS 8 -67.330 -82.378 -44.727 50 HB3 LYS 8 HB3 LYS 8 -66.529 -81.781 -46.180 51 HG2 LYS 8 HG2 LYS 8 -68.558 -82.765 -46.946 52 HG3 LYS 8 HG3 LYS 8 -67.301 -83.948 -47.311 53 HD2 LYS 8 HD2 LYS 8 -68.048 -84.594 -44.717 54 HD3 LYS 8 HD3 LYS 8 -69.576 -84.164 -45.485 55 HE2 LYS 8 HE2 LYS 8 -67.575 -86.238 -46.415 56 HE3 LYS 8 HE3 LYS 8 -69.230 -86.515 -45.871 57 HZ1 LYS 8 HZ1 LYS 8 -69.858 -84.962 -47.781 58 HZ2 LYS 8 HZ2 LYS 8 -69.386 -86.547 -48.169 59 HZ3 LYS 8 HZ3 LYS 8 -68.297 -85.259 -48.373 60 HN1 NH2 9 HN1 NH2 9 -63.188 -82.062 -45.079 61 HN2 NH2 9 HN2 NH2 9 -63.842 -81.225 -46.403 62 H1 A2G 10 H1 A2G 10 -68.879 -76.511 -38.635 63 H2 A2G 10 H2 A2G 10 -70.363 -76.111 -40.552 64 HN2 A2G 10 HN2 A2G 10 -68.479 -73.876 -40.076 65 H3 A2G 10 H3 A2G 10 -70.906 -73.427 -39.254 66 HO3 A2G 10 HO3 A2G 10 -72.536 -73.515 -41.009 67 H4 A2G 10 H4 A2G 10 -73.159 -74.251 -38.866 68 HO4 A2G 10 HO4 A2G 10 -72.607 -76.862 -39.465 69 H5 A2G 10 H5 A2G 10 -71.520 -74.727 -37.101 70 H6 A2G 10 H6 A2G 10 -73.005 -77.316 -37.348 71 H8 A2G 10 H8 A2G 10 -67.519 -73.380 -42.771 72 H8A A2G 10 H8A A2G 10 -66.662 -74.916 -42.905 73 H8B A2G 10 H8B A2G 10 -66.590 -73.994 -41.403 74 H14 A2G 10 H14 A2G 10 -72.835 -76.253 -35.950 75 H15 A2G 10 H15 A2G 10 -74.888 -75.986 -36.689 76 H1 A2G 11 H1 A2G 11 -66.355 -80.936 -37.472 77 H2 A2G 11 H2 A2G 11 -66.953 -82.300 -35.516 78 HN2 A2G 11 HN2 A2G 11 -68.178 -79.606 -35.414 79 H3 A2G 11 H3 A2G 11 -66.116 -79.886 -33.888 80 HO3 A2G 11 HO3 A2G 11 -66.630 -82.436 -32.874 81 H4 A2G 11 H4 A2G 11 -64.262 -81.254 -33.112 82 HO4 A2G 11 HO4 A2G 11 -65.687 -83.195 -34.481 83 H5 A2G 11 H5 A2G 11 -63.863 -79.960 -35.159 84 H6 A2G 11 H6 A2G 11 -61.949 -81.148 -35.936 85 H8 A2G 11 H8 A2G 11 -70.357 -79.494 -35.979 86 H8A A2G 11 H8A A2G 11 -70.939 -80.463 -34.625 87 H8B A2G 11 H8B A2G 11 -71.257 -80.979 -36.282 88 H14 A2G 11 H14 A2G 11 -62.164 -81.679 -34.267 89 H15 A2G 11 H15 A2G 11 -62.558 -83.051 -36.649 90 H1 A2G 12 H1 A2G 12 -66.095 -80.840 -43.070 91 H2 A2G 12 H2 A2G 12 -64.094 -79.828 -44.074 92 HN2 A2G 12 HN2 A2G 12 -64.685 -78.573 -41.459 93 H3 A2G 12 H3 A2G 12 -65.421 -77.178 -43.444 94 HO3 A2G 12 HO3 A2G 12 -63.591 -76.324 -44.224 95 H4 A2G 12 H4 A2G 12 -65.636 -76.896 -45.849 96 HO4 A2G 12 HO4 A2G 12 -64.021 -79.131 -45.820 97 H5 A2G 12 H5 A2G 12 -67.493 -78.047 -44.729 98 H6 A2G 12 H6 A2G 12 -67.040 -78.018 -47.410 99 H8 A2G 12 H8 A2G 12 -63.255 -78.888 -39.834 100 H8A A2G 12 H8A A2G 12 -61.693 -79.614 -40.211 101 H8B A2G 12 H8B A2G 12 -63.056 -80.640 -39.762 102 H14 A2G 12 H14 A2G 12 -67.198 -79.753 -47.140 103 H15 A2G 12 H15 A2G 12 -69.042 -77.722 -46.437 Start of MODEL 5 1 H1 ACE 1 H1 ACE 1 -67.745 -69.810 -31.722 2 H2 ACE 1 H2 ACE 1 -69.446 -69.566 -32.122 3 H3 ACE 1 H3 ACE 1 -68.217 -68.499 -32.803 4 HA PRO 2 HA PRO 2 -67.540 -70.793 -36.467 5 HB2 PRO 2 HB2 PRO 2 -64.913 -71.817 -35.880 6 HB3 PRO 2 HB3 PRO 2 -65.349 -70.453 -36.920 7 HG2 PRO 2 HG2 PRO 2 -64.346 -70.456 -34.179 8 HG3 PRO 2 HG3 PRO 2 -64.370 -69.150 -35.372 9 HD2 PRO 2 HD2 PRO 2 -65.979 -69.181 -33.155 10 HD3 PRO 2 HD3 PRO 2 -66.430 -68.369 -34.672 11 H THR 3 H THR 3 -67.093 -73.014 -37.329 12 HA THR 3 HA THR 3 -67.156 -75.158 -35.336 13 HB THR 3 HB THR 3 -69.125 -75.854 -37.247 14 HG21 THR 3 HG21 THR 3 -70.594 -75.826 -35.244 15 HG22 THR 3 HG22 THR 3 -69.338 -74.961 -34.356 16 HG23 THR 3 HG23 THR 3 -69.048 -76.610 -34.913 17 H THR 4 H THR 4 -67.644 -77.300 -36.886 18 HA THR 4 HA THR 4 -65.856 -77.110 -39.217 19 HB THR 4 HB THR 4 -64.712 -79.203 -38.484 20 HG21 THR 4 HG21 THR 4 -63.949 -76.773 -37.940 21 HG22 THR 4 HG22 THR 4 -63.187 -78.104 -37.069 22 HG23 THR 4 HG23 THR 4 -64.454 -77.152 -36.293 23 H THR 5 H THR 5 -66.375 -78.467 -40.884 24 HA THR 5 HA THR 5 -68.934 -79.871 -40.644 25 HB THR 5 HB THR 5 -68.553 -80.104 -43.199 26 HG21 THR 5 HG21 THR 5 -70.206 -78.573 -42.441 27 HG22 THR 5 HG22 THR 5 -69.152 -77.621 -43.487 28 HG23 THR 5 HG23 THR 5 -68.997 -77.500 -41.734 29 HA PRO 6 HA PRO 6 -67.517 -83.992 -40.355 30 HB2 PRO 6 HB2 PRO 6 -68.800 -84.913 -42.763 31 HB3 PRO 6 HB3 PRO 6 -69.330 -85.130 -41.088 32 HG2 PRO 6 HG2 PRO 6 -70.245 -83.218 -43.096 33 HG3 PRO 6 HG3 PRO 6 -71.029 -83.751 -41.602 34 HD2 PRO 6 HD2 PRO 6 -69.966 -81.246 -41.924 35 HD3 PRO 6 HD3 PRO 6 -70.083 -82.057 -40.346 36 H LEU 7 H LEU 7 -65.531 -84.711 -40.847 37 HA LEU 7 HA LEU 7 -64.013 -83.748 -43.028 38 HB2 LEU 7 HB2 LEU 7 -63.505 -85.199 -40.701 39 HB3 LEU 7 HB3 LEU 7 -63.072 -86.302 -42.007 40 HG LEU 7 HG LEU 7 -62.085 -83.452 -41.691 41 HD11 LEU 7 HD11 LEU 7 -60.382 -85.928 -41.681 42 HD12 LEU 7 HD12 LEU 7 -61.200 -85.426 -40.201 43 HD13 LEU 7 HD13 LEU 7 -60.045 -84.345 -40.981 44 HD21 LEU 7 HD21 LEU 7 -62.086 -85.376 -43.928 45 HD22 LEU 7 HD22 LEU 7 -60.503 -84.687 -43.566 46 HD23 LEU 7 HD23 LEU 7 -61.860 -83.627 -43.950 47 H LYS 8 H LYS 8 -64.521 -84.175 -45.086 48 HA LYS 8 HA LYS 8 -64.708 -85.426 -47.020 49 HB2 LYS 8 HB2 LYS 8 -63.342 -87.129 -45.442 50 HB3 LYS 8 HB3 LYS 8 -64.848 -88.033 -45.613 51 HG2 LYS 8 HG2 LYS 8 -64.661 -87.635 -48.121 52 HG3 LYS 8 HG3 LYS 8 -63.024 -87.052 -47.817 53 HD2 LYS 8 HD2 LYS 8 -62.420 -89.197 -46.797 54 HD3 LYS 8 HD3 LYS 8 -64.068 -89.786 -47.023 55 HE2 LYS 8 HE2 LYS 8 -62.680 -88.733 -49.437 56 HE3 LYS 8 HE3 LYS 8 -62.110 -90.277 -48.802 57 HZ1 LYS 8 HZ1 LYS 8 -63.790 -90.974 -50.151 58 HZ2 LYS 8 HZ2 LYS 8 -64.725 -89.575 -49.919 59 HZ3 LYS 8 HZ3 LYS 8 -64.661 -90.767 -48.710 60 HN1 NH2 9 HN1 NH2 9 -67.201 -85.518 -47.908 61 HN2 NH2 9 HN2 NH2 9 -67.394 -87.192 -47.706 62 H1 A2G 10 H1 A2G 10 -71.082 -75.170 -37.515 63 H2 A2G 10 H2 A2G 10 -72.214 -73.402 -38.794 64 HN2 A2G 10 HN2 A2G 10 -69.299 -73.473 -39.311 65 H3 A2G 10 H3 A2G 10 -70.047 -71.578 -37.716 66 HO3 A2G 10 HO3 A2G 10 -70.802 -71.075 -39.796 67 H4 A2G 10 H4 A2G 10 -71.812 -70.501 -36.439 68 HO4 A2G 10 HO4 A2G 10 -73.435 -71.160 -38.071 69 H5 A2G 10 H5 A2G 10 -70.700 -72.400 -35.350 70 H6 A2G 10 H6 A2G 10 -73.567 -72.918 -34.698 71 H8 A2G 10 H8 A2G 10 -69.334 -73.386 -42.286 72 H8A A2G 10 H8A A2G 10 -69.939 -75.041 -42.364 73 H8B A2G 10 H8B A2G 10 -68.705 -74.607 -41.180 74 H14 A2G 10 H14 A2G 10 -72.217 -72.573 -33.618 75 H15 A2G 10 H15 A2G 10 -73.955 -70.888 -34.111 76 H1 A2G 11 H1 A2G 11 -66.288 -80.802 -37.914 77 H2 A2G 11 H2 A2G 11 -66.709 -82.353 -36.056 78 HN2 A2G 11 HN2 A2G 11 -68.052 -79.739 -35.706 79 H3 A2G 11 H3 A2G 11 -65.897 -80.044 -34.270 80 HO3 A2G 11 HO3 A2G 11 -66.323 -81.462 -32.651 81 H4 A2G 11 H4 A2G 11 -63.940 -81.373 -33.713 82 HO4 A2G 11 HO4 A2G 11 -64.963 -83.215 -35.611 83 H5 A2G 11 H5 A2G 11 -63.719 -79.893 -35.659 84 H6 A2G 11 H6 A2G 11 -61.945 -81.192 -36.903 85 H8 A2G 11 H8 A2G 11 -70.392 -79.971 -36.635 86 H8A A2G 11 H8A A2G 11 -70.516 -80.268 -34.901 87 H8B A2G 11 H8B A2G 11 -71.182 -81.433 -36.046 88 H14 A2G 11 H14 A2G 11 -61.756 -81.221 -35.150 89 H15 A2G 11 H15 A2G 11 -63.333 -83.208 -36.263 90 H1 A2G 12 H1 A2G 12 -66.466 -80.725 -43.586 91 H2 A2G 12 H2 A2G 12 -64.342 -80.076 -44.639 92 HN2 A2G 12 HN2 A2G 12 -64.661 -78.980 -41.908 93 H3 A2G 12 H3 A2G 12 -65.082 -77.254 -43.818 94 HO3 A2G 12 HO3 A2G 12 -62.786 -78.486 -44.442 95 H4 A2G 12 H4 A2G 12 -65.330 -76.800 -46.193 96 HO4 A2G 12 HO4 A2G 12 -65.005 -78.381 -47.697 97 H5 A2G 12 H5 A2G 12 -67.335 -77.620 -45.039 98 H6 A2G 12 H6 A2G 12 -67.841 -77.222 -47.296 99 H8 A2G 12 H8 A2G 12 -63.585 -80.158 -40.302 100 H8A A2G 12 H8A A2G 12 -61.977 -79.623 -40.789 101 H8B A2G 12 H8B A2G 12 -62.364 -81.343 -40.763 102 H14 A2G 12 H14 A2G 12 -66.809 -78.536 -47.857 103 H15 A2G 12 H15 A2G 12 -69.101 -78.978 -46.268 Start of MODEL 6 1 H1 ACE 1 H1 ACE 1 -68.604 -69.562 -32.714 2 H2 ACE 1 H2 ACE 1 -68.303 -68.376 -33.984 3 H3 ACE 1 H3 ACE 1 -66.950 -69.183 -33.190 4 HA PRO 2 HA PRO 2 -68.469 -71.180 -37.339 5 HB2 PRO 2 HB2 PRO 2 -65.678 -71.210 -38.048 6 HB3 PRO 2 HB3 PRO 2 -66.996 -70.328 -38.833 7 HG2 PRO 2 HG2 PRO 2 -64.985 -69.374 -36.942 8 HG3 PRO 2 HG3 PRO 2 -66.012 -68.461 -38.058 9 HD2 PRO 2 HD2 PRO 2 -66.359 -68.431 -35.341 10 HD3 PRO 2 HD3 PRO 2 -67.689 -68.178 -36.495 11 H THR 3 H THR 3 -68.603 -73.353 -37.338 12 HA THR 3 HA THR 3 -66.885 -74.869 -35.511 13 HB THR 3 HB THR 3 -68.763 -76.567 -36.788 14 HG21 THR 3 HG21 THR 3 -69.726 -76.660 -34.517 15 HG22 THR 3 HG22 THR 3 -68.804 -75.225 -34.067 16 HG23 THR 3 HG23 THR 3 -67.965 -76.727 -34.457 17 H THR 4 H THR 4 -66.892 -77.350 -36.636 18 HA THR 4 HA THR 4 -65.106 -76.957 -38.942 19 HB THR 4 HB THR 4 -64.341 -79.276 -38.422 20 HG21 THR 4 HG21 THR 4 -63.003 -78.634 -36.588 21 HG22 THR 4 HG22 THR 4 -64.277 -77.629 -35.898 22 HG23 THR 4 HG23 THR 4 -63.423 -77.099 -37.346 23 H THR 5 H THR 5 -65.375 -78.088 -40.858 24 HA THR 5 HA THR 5 -68.101 -79.037 -41.351 25 HB THR 5 HB THR 5 -67.160 -79.097 -43.777 26 HG21 THR 5 HG21 THR 5 -67.378 -76.558 -43.893 27 HG22 THR 5 HG22 THR 5 -67.553 -76.584 -42.138 28 HG23 THR 5 HG23 THR 5 -68.736 -77.406 -43.155 29 HA PRO 6 HA PRO 6 -67.438 -83.353 -41.333 30 HB2 PRO 6 HB2 PRO 6 -68.235 -83.790 -44.066 31 HB3 PRO 6 HB3 PRO 6 -69.175 -84.071 -42.593 32 HG2 PRO 6 HG2 PRO 6 -69.285 -81.839 -44.471 33 HG3 PRO 6 HG3 PRO 6 -70.473 -82.365 -43.272 34 HD2 PRO 6 HD2 PRO 6 -68.997 -80.072 -43.009 35 HD3 PRO 6 HD3 PRO 6 -69.608 -81.000 -41.620 36 H LEU 7 H LEU 7 -65.455 -84.232 -41.404 37 HA LEU 7 HA LEU 7 -63.404 -83.389 -43.162 38 HB2 LEU 7 HB2 LEU 7 -63.679 -85.796 -41.357 39 HB3 LEU 7 HB3 LEU 7 -62.217 -85.458 -42.286 40 HG LEU 7 HG LEU 7 -62.141 -83.185 -41.217 41 HD11 LEU 7 HD11 LEU 7 -64.306 -82.711 -40.486 42 HD12 LEU 7 HD12 LEU 7 -63.527 -83.196 -38.980 43 HD13 LEU 7 HD13 LEU 7 -64.555 -84.337 -39.849 44 HD21 LEU 7 HD21 LEU 7 -62.182 -85.449 -39.200 45 HD22 LEU 7 HD22 LEU 7 -61.204 -83.982 -39.138 46 HD23 LEU 7 HD23 LEU 7 -60.878 -85.208 -40.363 47 H LYS 8 H LYS 8 -65.923 -84.425 -44.420 48 HA LYS 8 HA LYS 8 -64.643 -85.926 -46.528 49 HB2 LYS 8 HB2 LYS 8 -66.261 -87.834 -46.383 50 HB3 LYS 8 HB3 LYS 8 -65.107 -87.780 -45.050 51 HG2 LYS 8 HG2 LYS 8 -66.803 -86.606 -43.660 52 HG3 LYS 8 HG3 LYS 8 -67.960 -86.756 -44.983 53 HD2 LYS 8 HD2 LYS 8 -67.055 -89.340 -44.727 54 HD3 LYS 8 HD3 LYS 8 -67.050 -88.783 -43.053 55 HE2 LYS 8 HE2 LYS 8 -69.404 -87.938 -43.423 56 HE3 LYS 8 HE3 LYS 8 -69.382 -88.757 -44.984 57 HZ1 LYS 8 HZ1 LYS 8 -68.799 -90.823 -43.748 58 HZ2 LYS 8 HZ2 LYS 8 -70.354 -90.224 -43.418 59 HZ3 LYS 8 HZ3 LYS 8 -69.095 -89.988 -42.301 60 HN1 NH2 9 HN1 NH2 9 -66.384 -86.240 -48.438 61 HN2 NH2 9 HN2 NH2 9 -67.991 -85.813 -48.094 62 H1 A2G 10 H1 A2G 10 -70.842 -76.648 -36.634 63 H2 A2G 10 H2 A2G 10 -72.717 -75.696 -37.907 64 HN2 A2G 10 HN2 A2G 10 -70.137 -74.850 -39.087 65 H3 A2G 10 H3 A2G 10 -71.229 -73.068 -37.653 66 HO3 A2G 10 HO3 A2G 10 -73.284 -72.364 -38.581 67 H4 A2G 10 H4 A2G 10 -73.055 -72.357 -36.216 68 HO4 A2G 10 HO4 A2G 10 -74.708 -73.763 -35.706 69 H5 A2G 10 H5 A2G 10 -71.179 -73.481 -35.099 70 H6 A2G 10 H6 A2G 10 -73.293 -74.821 -33.597 71 H8 A2G 10 H8 A2G 10 -70.804 -75.696 -41.935 72 H8A A2G 10 H8A A2G 10 -70.363 -77.340 -41.473 73 H8B A2G 10 H8B A2G 10 -69.425 -75.973 -40.871 74 H14 A2G 10 H14 A2G 10 -72.298 -73.442 -33.132 75 H15 A2G 10 H15 A2G 10 -73.715 -72.080 -34.042 76 H1 A2G 11 H1 A2G 11 -66.135 -80.722 -38.411 77 H2 A2G 11 H2 A2G 11 -67.072 -82.469 -36.958 78 HN2 A2G 11 HN2 A2G 11 -68.177 -79.782 -36.389 79 H3 A2G 11 H3 A2G 11 -66.386 -80.593 -34.679 80 HO3 A2G 11 HO3 A2G 11 -68.051 -81.737 -33.994 81 H4 A2G 11 H4 A2G 11 -64.725 -82.245 -34.030 82 HO4 A2G 11 HO4 A2G 11 -65.907 -84.034 -34.930 83 H5 A2G 11 H5 A2G 11 -63.975 -80.528 -35.617 84 H6 A2G 11 H6 A2G 11 -62.023 -81.644 -36.428 85 H8 A2G 11 H8 A2G 11 -70.204 -79.408 -37.448 86 H8A A2G 11 H8A A2G 11 -71.008 -80.367 -36.203 87 H8B A2G 11 H8B A2G 11 -71.190 -80.798 -37.904 88 H14 A2G 11 H14 A2G 11 -62.485 -82.513 -34.964 89 H15 A2G 11 H15 A2G 11 -62.284 -83.429 -37.464 90 H1 A2G 12 H1 A2G 12 -65.108 -80.004 -43.737 91 H2 A2G 12 H2 A2G 12 -62.754 -79.549 -44.277 92 HN2 A2G 12 HN2 A2G 12 -63.484 -78.617 -41.562 93 H3 A2G 12 H3 A2G 12 -63.339 -76.732 -43.327 94 HO3 A2G 12 HO3 A2G 12 -61.266 -76.658 -43.186 95 H4 A2G 12 H4 A2G 12 -63.036 -76.059 -45.642 96 HO4 A2G 12 HO4 A2G 12 -63.068 -78.635 -46.616 97 H5 A2G 12 H5 A2G 12 -65.316 -76.706 -44.998 98 H6 A2G 12 H6 A2G 12 -64.489 -76.347 -47.511 99 H8 A2G 12 H8 A2G 12 -62.277 -79.425 -39.875 100 H8A A2G 12 H8A A2G 12 -60.974 -80.566 -40.202 101 H8B A2G 12 H8B A2G 12 -62.637 -81.139 -40.079 102 H14 A2G 12 H14 A2G 12 -64.988 -78.032 -47.661 103 H15 A2G 12 H15 A2G 12 -67.019 -77.497 -47.285 Start of MODEL 7 1 H1 ACE 1 H1 ACE 1 -65.033 -69.802 -31.490 2 H2 ACE 1 H2 ACE 1 -64.608 -68.710 -32.809 3 H3 ACE 1 H3 ACE 1 -63.705 -70.208 -32.577 4 HA PRO 2 HA PRO 2 -67.357 -70.402 -35.763 5 HB2 PRO 2 HB2 PRO 2 -65.437 -71.665 -37.499 6 HB3 PRO 2 HB3 PRO 2 -66.275 -70.123 -37.732 7 HG2 PRO 2 HG2 PRO 2 -63.558 -70.640 -36.798 8 HG3 PRO 2 HG3 PRO 2 -64.267 -69.155 -37.448 9 HD2 PRO 2 HD2 PRO 2 -63.587 -69.461 -34.811 10 HD3 PRO 2 HD3 PRO 2 -64.888 -68.381 -35.361 11 H THR 3 H THR 3 -68.046 -72.492 -36.840 12 HA THR 3 HA THR 3 -67.575 -74.707 -34.981 13 HB THR 3 HB THR 3 -69.529 -75.740 -36.127 14 HG21 THR 3 HG21 THR 3 -71.148 -74.325 -35.128 15 HG22 THR 3 HG22 THR 3 -70.179 -72.880 -35.412 16 HG23 THR 3 HG23 THR 3 -69.682 -74.047 -34.187 17 H THR 4 H THR 4 -68.044 -76.907 -36.454 18 HA THR 4 HA THR 4 -66.137 -76.879 -38.696 19 HB THR 4 HB THR 4 -65.070 -78.944 -37.806 20 HG21 THR 4 HG21 THR 4 -64.282 -76.518 -37.326 21 HG22 THR 4 HG22 THR 4 -63.616 -77.815 -36.334 22 HG23 THR 4 HG23 THR 4 -64.907 -76.795 -35.700 23 H THR 5 H THR 5 -66.105 -79.269 -39.624 24 HA THR 5 HA THR 5 -68.767 -80.489 -39.521 25 HB THR 5 HB THR 5 -68.711 -80.531 -42.103 26 HG21 THR 5 HG21 THR 5 -70.341 -79.217 -40.819 27 HG22 THR 5 HG22 THR 5 -69.781 -78.292 -42.211 28 HG23 THR 5 HG23 THR 5 -69.154 -77.931 -40.603 29 HA PRO 6 HA PRO 6 -66.454 -84.181 -40.066 30 HB2 PRO 6 HB2 PRO 6 -68.529 -85.533 -41.540 31 HB3 PRO 6 HB3 PRO 6 -68.148 -85.662 -39.817 32 HG2 PRO 6 HG2 PRO 6 -70.431 -84.524 -40.876 33 HG3 PRO 6 HG3 PRO 6 -69.814 -84.265 -39.238 34 HD2 PRO 6 HD2 PRO 6 -69.645 -82.475 -41.617 35 HD3 PRO 6 HD3 PRO 6 -69.718 -82.059 -39.890 36 H LEU 7 H LEU 7 -64.777 -84.303 -41.445 37 HA LEU 7 HA LEU 7 -64.850 -83.522 -44.161 38 HB2 LEU 7 HB2 LEU 7 -62.842 -85.379 -42.869 39 HB3 LEU 7 HB3 LEU 7 -62.600 -84.364 -44.291 40 HG LEU 7 HG LEU 7 -63.477 -82.566 -42.368 41 HD11 LEU 7 HD11 LEU 7 -62.229 -82.986 -40.362 42 HD12 LEU 7 HD12 LEU 7 -61.409 -84.369 -41.087 43 HD13 LEU 7 HD13 LEU 7 -63.129 -84.462 -40.707 44 HD21 LEU 7 HD21 LEU 7 -61.125 -81.793 -42.401 45 HD22 LEU 7 HD22 LEU 7 -61.675 -82.223 -44.021 46 HD23 LEU 7 HD23 LEU 7 -60.635 -83.328 -43.121 47 H LYS 8 H LYS 8 -63.420 -85.629 -45.417 48 HA LYS 8 HA LYS 8 -65.023 -88.030 -45.339 49 HB2 LYS 8 HB2 LYS 8 -65.482 -87.618 -47.929 50 HB3 LYS 8 HB3 LYS 8 -66.610 -87.058 -46.692 51 HG2 LYS 8 HG2 LYS 8 -65.933 -84.837 -46.884 52 HG3 LYS 8 HG3 LYS 8 -64.348 -85.270 -47.526 53 HD2 LYS 8 HD2 LYS 8 -65.156 -85.604 -49.677 54 HD3 LYS 8 HD3 LYS 8 -66.784 -85.983 -49.117 55 HE2 LYS 8 HE2 LYS 8 -65.683 -83.231 -48.654 56 HE3 LYS 8 HE3 LYS 8 -66.303 -83.654 -50.249 57 HZ1 LYS 8 HZ1 LYS 8 -68.381 -84.345 -49.199 58 HZ2 LYS 8 HZ2 LYS 8 -68.042 -82.709 -48.892 59 HZ3 LYS 8 HZ3 LYS 8 -67.782 -83.875 -47.684 60 HN1 NH2 9 HN1 NH2 9 -63.217 -89.861 -46.514 61 HN2 NH2 9 HN2 NH2 9 -63.527 -89.255 -48.069 62 H1 A2G 10 H1 A2G 10 -69.535 -76.099 -38.255 63 H2 A2G 10 H2 A2G 10 -70.544 -75.501 -40.414 64 HN2 A2G 10 HN2 A2G 10 -68.397 -73.588 -39.713 65 H3 A2G 10 H3 A2G 10 -70.732 -72.701 -39.270 66 HO3 A2G 10 HO3 A2G 10 -70.854 -73.798 -41.761 67 H4 A2G 10 H4 A2G 10 -73.140 -73.029 -39.286 68 HO4 A2G 10 HO4 A2G 10 -73.784 -75.325 -39.691 69 H5 A2G 10 H5 A2G 10 -71.970 -73.740 -37.248 70 H6 A2G 10 H6 A2G 10 -73.814 -76.030 -37.541 71 H8 A2G 10 H8 A2G 10 -66.833 -73.728 -42.199 72 H8A A2G 10 H8A A2G 10 -66.202 -75.330 -41.818 73 H8B A2G 10 H8B A2G 10 -66.334 -74.111 -40.551 74 H14 A2G 10 H14 A2G 10 -73.832 -74.716 -36.365 75 H15 A2G 10 H15 A2G 10 -75.571 -74.376 -37.644 76 H1 A2G 11 H1 A2G 11 -66.514 -80.566 -37.236 77 H2 A2G 11 H2 A2G 11 -67.133 -81.996 -35.337 78 HN2 A2G 11 HN2 A2G 11 -68.601 -79.425 -35.372 79 H3 A2G 11 H3 A2G 11 -66.657 -79.533 -33.639 80 HO3 A2G 11 HO3 A2G 11 -67.752 -82.062 -33.252 81 H4 A2G 11 H4 A2G 11 -64.747 -80.723 -32.726 82 HO4 A2G 11 HO4 A2G 11 -65.773 -82.825 -33.176 83 H5 A2G 11 H5 A2G 11 -64.318 -79.375 -34.732 84 H6 A2G 11 H6 A2G 11 -62.229 -80.313 -35.289 85 H8 A2G 11 H8 A2G 11 -70.746 -79.490 -35.859 86 H8A A2G 11 H8A A2G 11 -71.361 -80.640 -34.672 87 H8B A2G 11 H8B A2G 11 -71.464 -81.010 -36.393 88 H14 A2G 11 H14 A2G 11 -62.564 -81.010 -33.704 89 H15 A2G 11 H15 A2G 11 -63.648 -82.723 -35.099 90 H1 A2G 12 H1 A2G 12 -66.533 -80.844 -42.766 91 H2 A2G 12 H2 A2G 12 -64.823 -79.830 -44.187 92 HN2 A2G 12 HN2 A2G 12 -64.815 -78.713 -41.446 93 H3 A2G 12 H3 A2G 12 -65.890 -77.158 -43.235 94 HO3 A2G 12 HO3 A2G 12 -64.122 -77.613 -45.361 95 H4 A2G 12 H4 A2G 12 -66.713 -76.841 -45.496 96 HO4 A2G 12 HO4 A2G 12 -65.651 -79.434 -45.928 97 H5 A2G 12 H5 A2G 12 -68.242 -77.975 -43.940 98 H6 A2G 12 H6 A2G 12 -68.628 -77.787 -46.554 99 H8 A2G 12 H8 A2G 12 -63.028 -78.977 -40.232 100 H8A A2G 12 H8A A2G 12 -61.518 -79.365 -41.057 101 H8B A2G 12 H8B A2G 12 -62.541 -80.660 -40.436 102 H14 A2G 12 H14 A2G 12 -68.510 -79.545 -46.482 103 H15 A2G 12 H15 A2G 12 -70.043 -78.929 -44.504 Start of MODEL 8 1 H1 ACE 1 H1 ACE 1 -67.360 -68.518 -32.955 2 H2 ACE 1 H2 ACE 1 -67.201 -70.031 -32.062 3 H3 ACE 1 H3 ACE 1 -68.799 -69.353 -32.369 4 HA PRO 2 HA PRO 2 -67.240 -71.029 -36.592 5 HB2 PRO 2 HB2 PRO 2 -64.833 -72.562 -36.190 6 HB3 PRO 2 HB3 PRO 2 -65.040 -71.073 -37.125 7 HG2 PRO 2 HG2 PRO 2 -63.605 -71.308 -34.776 8 HG3 PRO 2 HG3 PRO 2 -64.206 -69.796 -35.471 9 HD2 PRO 2 HD2 PRO 2 -65.292 -71.380 -33.189 10 HD3 PRO 2 HD3 PRO 2 -65.355 -69.627 -33.483 11 H THR 3 H THR 3 -67.043 -73.299 -37.600 12 HA THR 3 HA THR 3 -67.601 -75.472 -35.718 13 HB THR 3 HB THR 3 -69.530 -75.735 -37.778 14 HG21 THR 3 HG21 THR 3 -69.859 -74.911 -34.878 15 HG22 THR 3 HG22 THR 3 -69.656 -76.571 -35.436 16 HG23 THR 3 HG23 THR 3 -71.091 -75.656 -35.896 17 H THR 4 H THR 4 -67.873 -77.583 -36.961 18 HA THR 4 HA THR 4 -66.364 -77.588 -39.487 19 HB THR 4 HB THR 4 -65.022 -79.520 -38.660 20 HG21 THR 4 HG21 THR 4 -64.360 -77.007 -38.473 21 HG22 THR 4 HG22 THR 4 -63.426 -78.191 -37.559 22 HG23 THR 4 HG23 THR 4 -64.657 -77.222 -36.748 23 H THR 5 H THR 5 -66.222 -80.189 -40.046 24 HA THR 5 HA THR 5 -68.835 -81.423 -39.572 25 HB THR 5 HB THR 5 -68.750 -81.859 -42.206 26 HG21 THR 5 HG21 THR 5 -70.626 -80.847 -40.967 27 HG22 THR 5 HG22 THR 5 -70.313 -79.964 -42.461 28 HG23 THR 5 HG23 THR 5 -69.765 -79.308 -40.917 29 HA PRO 6 HA PRO 6 -66.802 -85.279 -39.369 30 HB2 PRO 6 HB2 PRO 6 -68.273 -86.543 -41.498 31 HB3 PRO 6 HB3 PRO 6 -68.505 -86.719 -39.753 32 HG2 PRO 6 HG2 PRO 6 -69.998 -85.106 -41.674 33 HG3 PRO 6 HG3 PRO 6 -70.456 -85.642 -40.051 34 HD2 PRO 6 HD2 PRO 6 -69.856 -83.038 -40.653 35 HD3 PRO 6 HD3 PRO 6 -69.607 -83.745 -39.041 36 H LEU 7 H LEU 7 -64.790 -84.480 -40.211 37 HA LEU 7 HA LEU 7 -63.288 -83.956 -41.986 38 HB2 LEU 7 HB2 LEU 7 -63.619 -86.792 -41.307 39 HB3 LEU 7 HB3 LEU 7 -62.838 -86.521 -42.865 40 HG LEU 7 HG LEU 7 -61.225 -86.609 -40.944 41 HD11 LEU 7 HD11 LEU 7 -59.936 -85.282 -42.226 42 HD12 LEU 7 HD12 LEU 7 -60.811 -83.852 -41.680 43 HD13 LEU 7 HD13 LEU 7 -61.389 -84.757 -43.079 44 HD21 LEU 7 HD21 LEU 7 -63.124 -85.108 -39.640 45 HD22 LEU 7 HD22 LEU 7 -61.938 -83.879 -40.082 46 HD23 LEU 7 HD23 LEU 7 -61.449 -85.271 -39.116 47 H LYS 8 H LYS 8 -64.460 -82.820 -43.568 48 HA LYS 8 HA LYS 8 -65.578 -82.486 -45.564 49 HB2 LYS 8 HB2 LYS 8 -63.404 -83.012 -46.439 50 HB3 LYS 8 HB3 LYS 8 -63.674 -84.741 -46.221 51 HG2 LYS 8 HG2 LYS 8 -65.175 -84.870 -48.004 52 HG3 LYS 8 HG3 LYS 8 -65.565 -83.152 -47.929 53 HD2 LYS 8 HD2 LYS 8 -62.743 -83.925 -48.549 54 HD3 LYS 8 HD3 LYS 8 -63.954 -84.111 -49.820 55 HE2 LYS 8 HE2 LYS 8 -64.408 -81.826 -49.911 56 HE3 LYS 8 HE3 LYS 8 -63.843 -81.546 -48.264 57 HZ1 LYS 8 HZ1 LYS 8 -62.037 -80.785 -49.344 58 HZ2 LYS 8 HZ2 LYS 8 -62.337 -81.698 -50.745 59 HZ3 LYS 8 HZ3 LYS 8 -61.612 -82.427 -49.392 60 HN1 NH2 9 HN1 NH2 9 -67.808 -83.068 -45.418 61 HN2 NH2 9 HN2 NH2 9 -68.348 -84.672 -45.288 62 H1 A2G 10 H1 A2G 10 -71.380 -74.699 -38.017 63 H2 A2G 10 H2 A2G 10 -71.301 -73.435 -40.123 64 HN2 A2G 10 HN2 A2G 10 -68.668 -74.612 -39.452 65 H3 A2G 10 H3 A2G 10 -68.845 -72.103 -38.951 66 HO3 A2G 10 HO3 A2G 10 -70.269 -71.379 -41.264 67 H4 A2G 10 H4 A2G 10 -70.178 -70.078 -38.838 68 HO4 A2G 10 HO4 A2G 10 -72.030 -69.921 -39.819 69 H5 A2G 10 H5 A2G 10 -70.321 -71.528 -36.866 70 H6 A2G 10 H6 A2G 10 -73.186 -70.844 -37.161 71 H8 A2G 10 H8 A2G 10 -68.016 -75.864 -42.014 72 H8A A2G 10 H8A A2G 10 -69.245 -77.118 -41.844 73 H8B A2G 10 H8B A2G 10 -68.272 -76.642 -40.452 74 H14 A2G 10 H14 A2G 10 -72.032 -70.342 -35.925 75 H15 A2G 10 H15 A2G 10 -72.453 -69.282 -38.501 76 H1 A2G 11 H1 A2G 11 -66.350 -81.144 -37.744 77 H2 A2G 11 H2 A2G 11 -66.493 -82.473 -35.682 78 HN2 A2G 11 HN2 A2G 11 -68.030 -79.947 -35.538 79 H3 A2G 11 H3 A2G 11 -65.753 -79.898 -34.265 80 HO3 A2G 11 HO3 A2G 11 -66.698 -80.932 -32.714 81 H4 A2G 11 H4 A2G 11 -63.651 -80.989 -33.721 82 HO4 A2G 11 HO4 A2G 11 -64.087 -83.095 -35.458 83 H5 A2G 11 H5 A2G 11 -63.709 -79.756 -35.843 84 H6 A2G 11 H6 A2G 11 -61.870 -80.924 -37.001 85 H8 A2G 11 H8 A2G 11 -70.415 -80.412 -36.084 86 H8A A2G 11 H8A A2G 11 -70.332 -80.630 -34.335 87 H8B A2G 11 H8B A2G 11 -71.015 -81.900 -35.352 88 H14 A2G 11 H14 A2G 11 -61.633 -80.979 -35.254 89 H15 A2G 11 H15 A2G 11 -62.294 -83.067 -35.218 90 H1 A2G 12 H1 A2G 12 -66.592 -81.741 -42.900 91 H2 A2G 12 H2 A2G 12 -65.134 -80.458 -44.406 92 HN2 A2G 12 HN2 A2G 12 -65.315 -79.264 -41.702 93 H3 A2G 12 H3 A2G 12 -66.739 -78.050 -43.505 94 HO3 A2G 12 HO3 A2G 12 -64.949 -77.148 -44.110 95 H4 A2G 12 H4 A2G 12 -67.597 -77.974 -45.778 96 HO4 A2G 12 HO4 A2G 12 -67.044 -79.635 -47.227 97 H5 A2G 12 H5 A2G 12 -68.863 -79.358 -44.195 98 H6 A2G 12 H6 A2G 12 -69.317 -79.330 -46.773 99 H8 A2G 12 H8 A2G 12 -63.471 -79.049 -40.555 100 H8A A2G 12 H8A A2G 12 -61.932 -79.247 -41.391 101 H8B A2G 12 H8B A2G 12 -62.706 -80.635 -40.628 102 H14 A2G 12 H14 A2G 12 -68.717 -80.988 -46.725 103 H15 A2G 12 H15 A2G 12 -70.293 -81.417 -45.119 Start of MODEL 9 1 H1 ACE 1 H1 ACE 1 -69.404 -68.677 -32.931 2 H2 ACE 1 H2 ACE 1 -68.051 -67.769 -33.605 3 H3 ACE 1 H3 ACE 1 -67.776 -68.923 -32.300 4 HA PRO 2 HA PRO 2 -67.080 -70.605 -36.794 5 HB2 PRO 2 HB2 PRO 2 -64.606 -71.643 -35.743 6 HB3 PRO 2 HB3 PRO 2 -64.834 -70.429 -37.011 7 HG2 PRO 2 HG2 PRO 2 -64.162 -70.072 -34.192 8 HG3 PRO 2 HG3 PRO 2 -63.967 -68.956 -35.551 9 HD2 PRO 2 HD2 PRO 2 -65.825 -68.592 -33.572 10 HD3 PRO 2 HD3 PRO 2 -66.044 -67.993 -35.231 11 H THR 3 H THR 3 -66.750 -72.929 -37.290 12 HA THR 3 HA THR 3 -67.107 -74.773 -35.043 13 HB THR 3 HB THR 3 -69.071 -75.832 -36.148 14 HG21 THR 3 HG21 THR 3 -69.195 -73.961 -34.366 15 HG22 THR 3 HG22 THR 3 -70.655 -74.291 -35.299 16 HG23 THR 3 HG23 THR 3 -69.645 -72.903 -35.703 17 H THR 4 H THR 4 -67.692 -77.056 -36.415 18 HA THR 4 HA THR 4 -65.668 -77.291 -38.538 19 HB THR 4 HB THR 4 -65.012 -79.517 -37.379 20 HG21 THR 4 HG21 THR 4 -63.575 -77.471 -37.577 21 HG22 THR 4 HG22 THR 4 -63.286 -78.383 -36.097 22 HG23 THR 4 HG23 THR 4 -64.245 -76.904 -36.048 23 H THR 5 H THR 5 -65.812 -79.468 -39.623 24 HA THR 5 HA THR 5 -68.445 -80.738 -39.427 25 HB THR 5 HB THR 5 -68.709 -80.571 -41.929 26 HG21 THR 5 HG21 THR 5 -68.601 -77.907 -40.487 27 HG22 THR 5 HG22 THR 5 -69.906 -79.079 -40.306 28 HG23 THR 5 HG23 THR 5 -69.615 -78.317 -41.869 29 HA PRO 6 HA PRO 6 -66.103 -84.332 -40.355 30 HB2 PRO 6 HB2 PRO 6 -68.280 -85.662 -41.697 31 HB3 PRO 6 HB3 PRO 6 -67.736 -85.865 -40.025 32 HG2 PRO 6 HG2 PRO 6 -70.130 -84.733 -40.808 33 HG3 PRO 6 HG3 PRO 6 -69.367 -84.541 -39.223 34 HD2 PRO 6 HD2 PRO 6 -69.460 -82.630 -41.510 35 HD3 PRO 6 HD3 PRO 6 -69.376 -82.303 -39.765 36 H LEU 7 H LEU 7 -65.159 -85.609 -42.053 37 HA LEU 7 HA LEU 7 -64.622 -84.195 -44.437 38 HB2 LEU 7 HB2 LEU 7 -64.088 -87.003 -43.508 39 HB3 LEU 7 HB3 LEU 7 -63.698 -86.513 -45.156 40 HG LEU 7 HG LEU 7 -61.799 -86.245 -43.509 41 HD11 LEU 7 HD11 LEU 7 -62.256 -83.471 -44.284 42 HD12 LEU 7 HD12 LEU 7 -62.650 -84.590 -45.589 43 HD13 LEU 7 HD13 LEU 7 -61.041 -84.608 -44.868 44 HD21 LEU 7 HD21 LEU 7 -63.408 -83.893 -42.492 45 HD22 LEU 7 HD22 LEU 7 -61.908 -84.547 -41.835 46 HD23 LEU 7 HD23 LEU 7 -63.411 -85.455 -41.673 47 H LYS 8 H LYS 8 -64.783 -85.710 -46.583 48 HA LYS 8 HA LYS 8 -67.609 -85.729 -47.189 49 HB2 LYS 8 HB2 LYS 8 -65.252 -86.542 -48.908 50 HB3 LYS 8 HB3 LYS 8 -66.895 -86.231 -49.469 51 HG2 LYS 8 HG2 LYS 8 -66.351 -84.061 -49.703 52 HG3 LYS 8 HG3 LYS 8 -66.154 -83.967 -47.953 53 HD2 LYS 8 HD2 LYS 8 -63.802 -84.812 -48.241 54 HD3 LYS 8 HD3 LYS 8 -64.022 -84.677 -49.986 55 HE2 LYS 8 HE2 LYS 8 -64.523 -82.268 -49.731 56 HE3 LYS 8 HE3 LYS 8 -64.269 -82.406 -47.991 57 HZ1 LYS 8 HZ1 LYS 8 -62.067 -82.411 -48.242 58 HZ2 LYS 8 HZ2 LYS 8 -62.357 -81.813 -49.807 59 HZ3 LYS 8 HZ3 LYS 8 -62.112 -83.477 -49.561 60 HN1 NH2 9 HN1 NH2 9 -65.472 -88.472 -48.312 61 HN2 NH2 9 HN2 NH2 9 -65.875 -89.407 -46.954 62 H1 A2G 10 H1 A2G 10 -68.896 -76.346 -38.277 63 H2 A2G 10 H2 A2G 10 -69.850 -75.921 -40.502 64 HN2 A2G 10 HN2 A2G 10 -67.742 -73.978 -39.764 65 H3 A2G 10 H3 A2G 10 -70.163 -73.060 -39.556 66 HO3 A2G 10 HO3 A2G 10 -70.695 -72.671 -41.566 67 H4 A2G 10 H4 A2G 10 -72.556 -73.461 -39.603 68 HO4 A2G 10 HO4 A2G 10 -72.058 -76.184 -40.110 69 H5 A2G 10 H5 A2G 10 -71.447 -74.026 -37.490 70 H6 A2G 10 H6 A2G 10 -73.259 -76.370 -37.878 71 H8 A2G 10 H8 A2G 10 -66.172 -73.921 -42.213 72 H8A A2G 10 H8A A2G 10 -65.586 -75.576 -42.038 73 H8B A2G 10 H8B A2G 10 -65.671 -74.518 -40.630 74 H14 A2G 10 H14 A2G 10 -73.239 -75.171 -36.585 75 H15 A2G 10 H15 A2G 10 -74.770 -74.234 -37.640 76 H1 A2G 11 H1 A2G 11 -65.600 -80.861 -35.908 77 H2 A2G 11 H2 A2G 11 -66.318 -81.445 -33.631 78 HN2 A2G 11 HN2 A2G 11 -68.255 -79.709 -35.046 79 H3 A2G 11 H3 A2G 11 -66.785 -78.470 -33.282 80 HO3 A2G 11 HO3 A2G 11 -68.141 -80.108 -32.195 81 H4 A2G 11 H4 A2G 11 -64.928 -78.526 -31.715 82 HO4 A2G 11 HO4 A2G 11 -65.445 -81.004 -31.525 83 H5 A2G 11 H5 A2G 11 -64.342 -78.118 -34.064 84 H6 A2G 11 H6 A2G 11 -62.030 -78.551 -33.885 85 H8 A2G 11 H8 A2G 11 -70.075 -80.706 -35.826 86 H8A A2G 11 H8A A2G 11 -70.794 -81.254 -34.311 87 H8B A2G 11 H8B A2G 11 -70.316 -82.428 -35.538 88 H14 A2G 11 H14 A2G 11 -62.566 -78.545 -32.205 89 H15 A2G 11 H15 A2G 11 -61.736 -80.650 -33.813 90 H1 A2G 12 H1 A2G 12 -66.896 -81.092 -43.029 91 H2 A2G 12 H2 A2G 12 -65.166 -80.287 -44.576 92 HN2 A2G 12 HN2 A2G 12 -64.581 -79.642 -41.746 93 H3 A2G 12 H3 A2G 12 -65.464 -77.631 -43.147 94 HO3 A2G 12 HO3 A2G 12 -63.863 -76.999 -44.461 95 H4 A2G 12 H4 A2G 12 -66.422 -76.794 -45.212 96 HO4 A2G 12 HO4 A2G 12 -65.281 -78.154 -46.627 97 H5 A2G 12 H5 A2G 12 -68.026 -77.800 -43.654 98 H6 A2G 12 H6 A2G 12 -68.591 -77.171 -46.165 99 H8 A2G 12 H8 A2G 12 -62.672 -80.330 -40.924 100 H8A A2G 12 H8A A2G 12 -61.466 -81.005 -42.020 101 H8B A2G 12 H8B A2G 12 -62.665 -82.059 -41.270 102 H14 A2G 12 H14 A2G 12 -68.858 -78.908 -46.316 103 H15 A2G 12 H15 A2G 12 -70.034 -77.244 -44.345 Start of MODEL 10 1 H1 ACE 1 H1 ACE 1 -68.928 -68.179 -34.864 2 H2 ACE 1 H2 ACE 1 -67.832 -69.078 -33.815 3 H3 ACE 1 H3 ACE 1 -69.546 -69.489 -33.859 4 HA PRO 2 HA PRO 2 -67.709 -71.020 -38.025 5 HB2 PRO 2 HB2 PRO 2 -64.835 -70.829 -37.936 6 HB3 PRO 2 HB3 PRO 2 -65.956 -69.983 -39.013 7 HG2 PRO 2 HG2 PRO 2 -64.440 -68.805 -37.027 8 HG3 PRO 2 HG3 PRO 2 -65.869 -68.097 -37.791 9 HD2 PRO 2 HD2 PRO 2 -65.611 -69.392 -35.117 10 HD3 PRO 2 HD3 PRO 2 -66.711 -68.099 -35.648 11 H THR 3 H THR 3 -68.217 -73.096 -37.439 12 HA THR 3 HA THR 3 -66.360 -74.620 -35.760 13 HB THR 3 HB THR 3 -68.516 -76.245 -36.623 14 HG21 THR 3 HG21 THR 3 -68.021 -74.727 -34.046 15 HG22 THR 3 HG22 THR 3 -67.437 -76.346 -34.426 16 HG23 THR 3 HG23 THR 3 -69.166 -76.055 -34.229 17 H THR 4 H THR 4 -66.655 -77.155 -36.660 18 HA THR 4 HA THR 4 -65.246 -77.056 -39.244 19 HB THR 4 HB THR 4 -64.505 -79.359 -38.646 20 HG21 THR 4 HG21 THR 4 -63.530 -76.996 -37.741 21 HG22 THR 4 HG22 THR 4 -62.785 -78.551 -37.371 22 HG23 THR 4 HG23 THR 4 -63.873 -77.793 -36.207 23 H THR 5 H THR 5 -65.841 -78.388 -40.965 24 HA THR 5 HA THR 5 -68.665 -79.162 -40.962 25 HB THR 5 HB THR 5 -68.074 -79.564 -43.475 26 HG21 THR 5 HG21 THR 5 -69.470 -77.716 -42.769 27 HG22 THR 5 HG22 THR 5 -68.263 -77.088 -43.890 28 HG23 THR 5 HG23 THR 5 -68.070 -76.836 -42.155 29 HA PRO 6 HA PRO 6 -68.290 -83.492 -40.545 30 HB2 PRO 6 HB2 PRO 6 -69.486 -84.147 -43.082 31 HB3 PRO 6 HB3 PRO 6 -70.229 -84.197 -41.476 32 HG2 PRO 6 HG2 PRO 6 -70.453 -82.172 -43.567 33 HG3 PRO 6 HG3 PRO 6 -71.495 -82.474 -42.170 34 HD2 PRO 6 HD2 PRO 6 -69.852 -80.291 -42.368 35 HD3 PRO 6 HD3 PRO 6 -70.323 -81.016 -40.813 36 H LEU 7 H LEU 7 -66.386 -84.506 -40.766 37 HA LEU 7 HA LEU 7 -64.549 -84.026 -42.860 38 HB2 LEU 7 HB2 LEU 7 -64.735 -86.205 -40.777 39 HB3 LEU 7 HB3 LEU 7 -63.398 -86.089 -41.922 40 HG LEU 7 HG LEU 7 -63.014 -83.734 -41.138 41 HD11 LEU 7 HD11 LEU 7 -65.019 -83.005 -40.190 42 HD12 LEU 7 HD12 LEU 7 -64.073 -83.393 -38.753 43 HD13 LEU 7 HD13 LEU 7 -65.288 -84.527 -39.342 44 HD21 LEU 7 HD21 LEU 7 -61.768 -85.728 -40.233 45 HD22 LEU 7 HD22 LEU 7 -62.933 -85.793 -38.910 46 HD23 LEU 7 HD23 LEU 7 -61.881 -84.388 -39.092 47 H LYS 8 H LYS 8 -65.727 -84.358 -44.806 48 HA LYS 8 HA LYS 8 -66.641 -85.572 -46.548 49 HB2 LYS 8 HB2 LYS 8 -64.527 -87.550 -45.667 50 HB3 LYS 8 HB3 LYS 8 -65.230 -87.405 -47.278 51 HG2 LYS 8 HG2 LYS 8 -64.392 -84.860 -46.926 52 HG3 LYS 8 HG3 LYS 8 -63.195 -85.703 -45.942 53 HD2 LYS 8 HD2 LYS 8 -62.975 -87.300 -47.985 54 HD3 LYS 8 HD3 LYS 8 -63.757 -86.001 -48.886 55 HE2 LYS 8 HE2 LYS 8 -61.996 -84.432 -47.984 56 HE3 LYS 8 HE3 LYS 8 -61.164 -85.842 -47.328 57 HZ1 LYS 8 HZ1 LYS 8 -61.845 -86.317 -50.019 58 HZ2 LYS 8 HZ2 LYS 8 -60.303 -86.250 -49.309 59 HZ3 LYS 8 HZ3 LYS 8 -61.025 -84.836 -49.915 60 HN1 NH2 9 HN1 NH2 9 -68.793 -87.572 -44.228 61 HN2 NH2 9 HN2 NH2 9 -68.237 -85.969 -44.233 62 H1 A2G 10 H1 A2G 10 -70.545 -76.159 -36.276 63 H2 A2G 10 H2 A2G 10 -72.493 -75.118 -37.352 64 HN2 A2G 10 HN2 A2G 10 -69.961 -74.611 -38.799 65 H3 A2G 10 H3 A2G 10 -70.817 -72.594 -37.393 66 HO3 A2G 10 HO3 A2G 10 -72.371 -71.830 -38.600 67 H4 A2G 10 H4 A2G 10 -72.382 -71.706 -35.765 68 HO4 A2G 10 HO4 A2G 10 -73.929 -73.263 -34.876 69 H5 A2G 10 H5 A2G 10 -70.484 -72.936 -34.819 70 H6 A2G 10 H6 A2G 10 -72.539 -74.073 -33.068 71 H8 A2G 10 H8 A2G 10 -70.721 -75.077 -41.503 72 H8A A2G 10 H8A A2G 10 -71.087 -76.796 -41.345 73 H8B A2G 10 H8B A2G 10 -69.649 -76.125 -40.574 74 H14 A2G 10 H14 A2G 10 -71.355 -72.810 -32.731 75 H15 A2G 10 H15 A2G 10 -72.780 -71.341 -33.199 76 H1 A2G 11 H1 A2G 11 -66.242 -80.830 -38.151 77 H2 A2G 11 H2 A2G 11 -66.763 -82.406 -36.338 78 HN2 A2G 11 HN2 A2G 11 -67.925 -79.719 -35.893 79 H3 A2G 11 H3 A2G 11 -65.791 -80.213 -34.487 80 HO3 A2G 11 HO3 A2G 11 -67.273 -81.350 -33.414 81 H4 A2G 11 H4 A2G 11 -63.927 -81.688 -33.980 82 HO4 A2G 11 HO4 A2G 11 -64.835 -83.401 -36.029 83 H5 A2G 11 H5 A2G 11 -63.611 -80.167 -35.881 84 H6 A2G 11 H6 A2G 11 -61.726 -81.227 -36.795 85 H8 A2G 11 H8 A2G 11 -70.077 -79.495 -36.171 86 H8A A2G 11 H8A A2G 11 -70.805 -80.725 -35.139 87 H8B A2G 11 H8B A2G 11 -70.973 -80.832 -36.891 88 H14 A2G 11 H14 A2G 11 -61.954 -82.111 -35.286 89 H15 A2G 11 H15 A2G 11 -62.210 -82.954 -37.872 90 H1 A2G 12 H1 A2G 12 -66.081 -80.573 -43.626 91 H2 A2G 12 H2 A2G 12 -63.812 -80.306 -44.531 92 HN2 A2G 12 HN2 A2G 12 -64.063 -79.049 -41.861 93 H3 A2G 12 H3 A2G 12 -64.133 -77.382 -43.803 94 HO3 A2G 12 HO3 A2G 12 -62.107 -78.206 -45.444 95 H4 A2G 12 H4 A2G 12 -64.137 -76.953 -46.195 96 HO4 A2G 12 HO4 A2G 12 -63.047 -78.468 -47.197 97 H5 A2G 12 H5 A2G 12 -66.325 -77.405 -45.179 98 H6 A2G 12 H6 A2G 12 -65.816 -77.389 -47.825 99 H8 A2G 12 H8 A2G 12 -62.693 -79.809 -40.279 100 H8A A2G 12 H8A A2G 12 -61.581 -81.127 -40.645 101 H8B A2G 12 H8B A2G 12 -63.255 -81.480 -40.221 102 H14 A2G 12 H14 A2G 12 -66.504 -79.007 -47.686 103 H15 A2G 12 H15 A2G 12 -68.228 -77.898 -46.450 Start of MODEL 11 1 H1 ACE 1 H1 ACE 1 -67.875 -70.923 -31.094 2 H2 ACE 1 H2 ACE 1 -69.527 -70.759 -31.689 3 H3 ACE 1 H3 ACE 1 -68.337 -69.503 -32.031 4 HA PRO 2 HA PRO 2 -66.969 -71.136 -35.854 5 HB2 PRO 2 HB2 PRO 2 -64.351 -72.031 -35.053 6 HB3 PRO 2 HB3 PRO 2 -64.782 -70.560 -35.937 7 HG2 PRO 2 HG2 PRO 2 -64.144 -70.913 -33.109 8 HG3 PRO 2 HG3 PRO 2 -64.144 -69.443 -34.094 9 HD2 PRO 2 HD2 PRO 2 -66.013 -69.945 -32.156 10 HD3 PRO 2 HD3 PRO 2 -66.343 -68.944 -33.588 11 H THR 3 H THR 3 -68.065 -72.971 -36.359 12 HA THR 3 HA THR 3 -67.459 -75.469 -34.953 13 HB THR 3 HB THR 3 -69.404 -76.354 -36.233 14 HG21 THR 3 HG21 THR 3 -70.234 -73.725 -35.034 15 HG22 THR 3 HG22 THR 3 -69.513 -74.968 -34.011 16 HG23 THR 3 HG23 THR 3 -71.006 -75.303 -34.888 17 H THR 4 H THR 4 -67.745 -77.427 -36.669 18 HA THR 4 HA THR 4 -66.028 -76.896 -39.000 19 HB THR 4 HB THR 4 -65.254 -79.417 -37.962 20 HG21 THR 4 HG21 THR 4 -63.057 -78.345 -37.847 21 HG22 THR 4 HG22 THR 4 -63.809 -76.751 -37.914 22 HG23 THR 4 HG23 THR 4 -63.894 -77.825 -39.309 23 H THR 5 H THR 5 -66.198 -78.473 -40.670 24 HA THR 5 HA THR 5 -68.798 -79.822 -40.677 25 HB THR 5 HB THR 5 -68.199 -80.170 -43.138 26 HG21 THR 5 HG21 THR 5 -69.668 -78.333 -42.248 27 HG22 THR 5 HG22 THR 5 -68.802 -77.895 -43.720 28 HG23 THR 5 HG23 THR 5 -68.240 -77.303 -42.156 29 HA PRO 6 HA PRO 6 -67.096 -83.852 -40.299 30 HB2 PRO 6 HB2 PRO 6 -68.960 -85.061 -42.134 31 HB3 PRO 6 HB3 PRO 6 -69.029 -85.026 -40.366 32 HG2 PRO 6 HG2 PRO 6 -70.762 -83.709 -42.067 33 HG3 PRO 6 HG3 PRO 6 -70.519 -83.342 -40.354 34 HD2 PRO 6 HD2 PRO 6 -69.481 -81.904 -42.752 35 HD3 PRO 6 HD3 PRO 6 -69.891 -81.271 -41.140 36 H LEU 7 H LEU 7 -65.145 -83.139 -41.553 37 HA LEU 7 HA LEU 7 -63.860 -83.085 -43.552 38 HB2 LEU 7 HB2 LEU 7 -64.316 -86.023 -42.983 39 HB3 LEU 7 HB3 LEU 7 -62.928 -85.318 -43.812 40 HG LEU 7 HG LEU 7 -62.953 -83.860 -41.499 41 HD11 LEU 7 HD11 LEU 7 -63.551 -86.685 -40.620 42 HD12 LEU 7 HD12 LEU 7 -64.832 -85.479 -40.758 43 HD13 LEU 7 HD13 LEU 7 -63.493 -85.219 -39.640 44 HD21 LEU 7 HD21 LEU 7 -61.001 -84.961 -42.517 45 HD22 LEU 7 HD22 LEU 7 -61.601 -86.533 -41.992 46 HD23 LEU 7 HD23 LEU 7 -61.089 -85.342 -40.798 47 H LYS 8 H LYS 8 -64.091 -85.767 -45.112 48 HA LYS 8 HA LYS 8 -64.826 -86.238 -47.254 49 HB2 LYS 8 HB2 LYS 8 -66.726 -86.868 -45.525 50 HB3 LYS 8 HB3 LYS 8 -67.596 -85.572 -46.348 51 HG2 LYS 8 HG2 LYS 8 -66.919 -86.733 -48.539 52 HG3 LYS 8 HG3 LYS 8 -66.484 -88.117 -47.536 53 HD2 LYS 8 HD2 LYS 8 -68.959 -87.509 -46.545 54 HD3 LYS 8 HD3 LYS 8 -69.154 -87.070 -48.241 55 HE2 LYS 8 HE2 LYS 8 -68.213 -89.743 -47.166 56 HE3 LYS 8 HE3 LYS 8 -69.747 -89.414 -47.972 57 HZ1 LYS 8 HZ1 LYS 8 -68.774 -89.313 -49.991 58 HZ2 LYS 8 HZ2 LYS 8 -67.625 -90.322 -49.251 59 HZ3 LYS 8 HZ3 LYS 8 -67.325 -88.657 -49.401 60 HN1 NH2 9 HN1 NH2 9 -65.279 -82.622 -46.628 61 HN2 NH2 9 HN2 NH2 9 -64.223 -83.084 -47.873 62 H1 A2G 10 H1 A2G 10 -69.349 -76.251 -38.447 63 H2 A2G 10 H2 A2G 10 -70.537 -75.326 -40.387 64 HN2 A2G 10 HN2 A2G 10 -68.520 -73.448 -39.306 65 H3 A2G 10 H3 A2G 10 -70.952 -72.871 -38.660 66 HO3 A2G 10 HO3 A2G 10 -72.485 -72.846 -40.738 67 H4 A2G 10 H4 A2G 10 -73.304 -73.462 -38.640 68 HO4 A2G 10 HO4 A2G 10 -73.158 -75.953 -39.616 69 H5 A2G 10 H5 A2G 10 -71.962 -74.476 -36.857 70 H6 A2G 10 H6 A2G 10 -73.614 -76.805 -37.703 71 H8 A2G 10 H8 A2G 10 -67.286 -72.569 -41.751 72 H8A A2G 10 H8A A2G 10 -66.494 -74.102 -42.120 73 H8B A2G 10 H8B A2G 10 -66.499 -73.487 -40.467 74 H14 A2G 10 H14 A2G 10 -73.604 -75.933 -36.170 75 H15 A2G 10 H15 A2G 10 -75.124 -75.539 -38.403 76 H1 A2G 11 H1 A2G 11 -63.987 -79.852 -36.316 77 H2 A2G 11 H2 A2G 11 -65.254 -81.070 -34.597 78 HN2 A2G 11 HN2 A2G 11 -66.961 -80.062 -36.797 79 H3 A2G 11 H3 A2G 11 -67.094 -78.661 -34.602 80 HO3 A2G 11 HO3 A2G 11 -68.391 -80.030 -33.725 81 H4 A2G 11 H4 A2G 11 -66.264 -78.225 -32.359 82 HO4 A2G 11 HO4 A2G 11 -64.160 -79.734 -32.153 83 H5 A2G 11 H5 A2G 11 -64.992 -77.207 -34.195 84 H6 A2G 11 H6 A2G 11 -62.911 -76.819 -33.019 85 H8 A2G 11 H8 A2G 11 -67.403 -81.750 -38.413 86 H8A A2G 11 H8A A2G 11 -68.653 -82.262 -37.279 87 H8B A2G 11 H8B A2G 11 -67.445 -83.418 -37.841 88 H14 A2G 11 H14 A2G 11 -64.181 -77.003 -31.810 89 H15 A2G 11 H15 A2G 11 -62.031 -78.627 -32.393 90 H1 A2G 12 H1 A2G 12 -66.085 -81.013 -43.297 91 H2 A2G 12 H2 A2G 12 -63.942 -80.542 -44.402 92 HN2 A2G 12 HN2 A2G 12 -64.193 -79.228 -41.762 93 H3 A2G 12 H3 A2G 12 -64.539 -77.635 -43.790 94 HO3 A2G 12 HO3 A2G 12 -62.532 -78.605 -45.483 95 H4 A2G 12 H4 A2G 12 -64.807 -77.339 -46.183 96 HO4 A2G 12 HO4 A2G 12 -63.357 -79.389 -46.406 97 H5 A2G 12 H5 A2G 12 -66.840 -77.998 -44.982 98 H6 A2G 12 H6 A2G 12 -67.022 -77.768 -47.419 99 H8 A2G 12 H8 A2G 12 -62.698 -79.701 -40.239 100 H8A A2G 12 H8A A2G 12 -61.235 -80.556 -40.729 101 H8B A2G 12 H8B A2G 12 -62.652 -81.463 -40.200 102 H14 A2G 12 H14 A2G 12 -66.513 -79.443 -47.632 103 H15 A2G 12 H15 A2G 12 -68.380 -80.141 -46.748 Start of MODEL 12 1 H1 ACE 1 H1 ACE 1 -66.920 -69.563 -30.721 2 H2 ACE 1 H2 ACE 1 -66.277 -71.164 -30.351 3 H3 ACE 1 H3 ACE 1 -67.965 -70.788 -29.999 4 HA PRO 2 HA PRO 2 -67.657 -71.156 -34.779 5 HB2 PRO 2 HB2 PRO 2 -65.072 -72.206 -35.498 6 HB3 PRO 2 HB3 PRO 2 -65.764 -70.628 -35.902 7 HG2 PRO 2 HG2 PRO 2 -63.627 -71.058 -34.205 8 HG3 PRO 2 HG3 PRO 2 -64.612 -69.590 -34.273 9 HD2 PRO 2 HD2 PRO 2 -64.681 -71.814 -32.287 10 HD3 PRO 2 HD3 PRO 2 -65.066 -70.092 -32.072 11 H THR 3 H THR 3 -67.106 -73.129 -36.421 12 HA THR 3 HA THR 3 -67.035 -75.678 -34.981 13 HB THR 3 HB THR 3 -69.101 -76.452 -36.140 14 HG21 THR 3 HG21 THR 3 -68.985 -75.299 -33.792 15 HG22 THR 3 HG22 THR 3 -70.561 -75.540 -34.546 16 HG23 THR 3 HG23 THR 3 -69.788 -73.956 -34.606 17 H THR 4 H THR 4 -67.620 -77.419 -36.927 18 HA THR 4 HA THR 4 -66.035 -76.668 -39.291 19 HB THR 4 HB THR 4 -65.356 -79.346 -38.657 20 HG21 THR 4 HG21 THR 4 -63.092 -78.421 -38.571 21 HG22 THR 4 HG22 THR 4 -63.742 -76.795 -38.369 22 HG23 THR 4 HG23 THR 4 -63.992 -77.663 -39.884 23 H THR 5 H THR 5 -66.420 -77.990 -41.138 24 HA THR 5 HA THR 5 -69.093 -79.189 -41.121 25 HB THR 5 HB THR 5 -68.382 -79.292 -43.709 26 HG21 THR 5 HG21 THR 5 -69.444 -77.077 -43.952 27 HG22 THR 5 HG22 THR 5 -69.224 -76.783 -42.228 28 HG23 THR 5 HG23 THR 5 -70.306 -78.065 -42.772 29 HA PRO 6 HA PRO 6 -68.087 -83.436 -41.235 30 HB2 PRO 6 HB2 PRO 6 -69.122 -83.966 -43.871 31 HB3 PRO 6 HB3 PRO 6 -69.877 -84.314 -42.307 32 HG2 PRO 6 HG2 PRO 6 -70.372 -82.116 -44.166 33 HG3 PRO 6 HG3 PRO 6 -71.381 -82.734 -42.852 34 HD2 PRO 6 HD2 PRO 6 -70.096 -80.319 -42.738 35 HD3 PRO 6 HD3 PRO 6 -70.472 -81.288 -41.294 36 H LEU 7 H LEU 7 -67.306 -85.128 -43.178 37 HA LEU 7 HA LEU 7 -65.474 -84.089 -45.081 38 HB2 LEU 7 HB2 LEU 7 -63.379 -84.443 -44.041 39 HB3 LEU 7 HB3 LEU 7 -64.330 -83.556 -42.849 40 HG LEU 7 HG LEU 7 -63.860 -86.550 -42.919 41 HD11 LEU 7 HD11 LEU 7 -62.322 -86.227 -41.265 42 HD12 LEU 7 HD12 LEU 7 -63.244 -84.916 -40.530 43 HD13 LEU 7 HD13 LEU 7 -62.228 -84.598 -41.935 44 HD21 LEU 7 HD21 LEU 7 -66.072 -86.317 -42.121 45 HD22 LEU 7 HD22 LEU 7 -65.707 -84.806 -41.289 46 HD23 LEU 7 HD23 LEU 7 -65.103 -86.334 -40.648 47 H LYS 8 H LYS 8 -63.667 -86.048 -45.370 48 HA LYS 8 HA LYS 8 -63.320 -88.268 -45.914 49 HB2 LYS 8 HB2 LYS 8 -64.854 -88.518 -43.714 50 HB3 LYS 8 HB3 LYS 8 -65.960 -89.182 -44.917 51 HG2 LYS 8 HG2 LYS 8 -64.083 -90.662 -45.714 52 HG3 LYS 8 HG3 LYS 8 -63.129 -90.097 -44.342 53 HD2 LYS 8 HD2 LYS 8 -64.070 -91.941 -43.347 54 HD3 LYS 8 HD3 LYS 8 -65.372 -90.794 -43.031 55 HE2 LYS 8 HE2 LYS 8 -66.453 -92.684 -43.978 56 HE3 LYS 8 HE3 LYS 8 -66.340 -91.522 -45.299 57 HZ1 LYS 8 HZ1 LYS 8 -64.866 -92.783 -46.400 58 HZ2 LYS 8 HZ2 LYS 8 -65.511 -94.049 -45.469 59 HZ3 LYS 8 HZ3 LYS 8 -64.066 -93.292 -44.994 60 HN1 NH2 9 HN1 NH2 9 -63.571 -88.244 -48.275 61 HN2 NH2 9 HN2 NH2 9 -64.944 -89.096 -48.795 62 H1 A2G 10 H1 A2G 10 -69.329 -76.135 -38.329 63 H2 A2G 10 H2 A2G 10 -70.714 -75.036 -40.015 64 HN2 A2G 10 HN2 A2G 10 -68.585 -73.263 -38.976 65 H3 A2G 10 H3 A2G 10 -70.960 -72.748 -38.044 66 HO3 A2G 10 HO3 A2G 10 -72.332 -71.942 -39.627 67 H4 A2G 10 H4 A2G 10 -73.288 -73.388 -37.808 68 HO4 A2G 10 HO4 A2G 10 -73.842 -75.493 -38.806 69 H5 A2G 10 H5 A2G 10 -71.709 -74.497 -36.285 70 H6 A2G 10 H6 A2G 10 -73.475 -76.763 -37.094 71 H8 A2G 10 H8 A2G 10 -67.683 -72.032 -41.392 72 H8A A2G 10 H8A A2G 10 -66.976 -73.476 -42.117 73 H8B A2G 10 H8B A2G 10 -66.727 -73.136 -40.404 74 H14 A2G 10 H14 A2G 10 -73.230 -76.045 -35.501 75 H15 A2G 10 H15 A2G 10 -74.611 -74.820 -37.653 76 H1 A2G 11 H1 A2G 11 -64.010 -80.070 -37.183 77 H2 A2G 11 H2 A2G 11 -65.231 -81.437 -35.546 78 HN2 A2G 11 HN2 A2G 11 -67.017 -80.049 -37.457 79 H3 A2G 11 H3 A2G 11 -66.907 -78.953 -35.092 80 HO3 A2G 11 HO3 A2G 11 -66.890 -81.347 -33.610 81 H4 A2G 11 H4 A2G 11 -65.897 -78.872 -32.883 82 HO4 A2G 11 HO4 A2G 11 -65.557 -81.143 -32.716 83 H5 A2G 11 H5 A2G 11 -64.693 -77.684 -34.663 84 H6 A2G 11 H6 A2G 11 -62.331 -77.914 -33.690 85 H8 A2G 11 H8 A2G 11 -67.414 -81.762 -39.392 86 H8A A2G 11 H8A A2G 11 -68.774 -81.720 -38.270 87 H8B A2G 11 H8B A2G 11 -68.016 -83.259 -38.680 88 H14 A2G 11 H14 A2G 11 -63.608 -77.525 -32.538 89 H15 A2G 11 H15 A2G 11 -62.192 -79.254 -31.880 90 H1 A2G 12 H1 A2G 12 -67.087 -78.761 -45.043 91 H2 A2G 12 H2 A2G 12 -64.830 -78.043 -45.695 92 HN2 A2G 12 HN2 A2G 12 -64.915 -79.304 -43.018 93 H3 A2G 12 H3 A2G 12 -64.740 -76.701 -42.979 94 HO3 A2G 12 HO3 A2G 12 -62.701 -76.368 -43.435 95 H4 A2G 12 H4 A2G 12 -64.756 -74.598 -44.194 96 HO4 A2G 12 HO4 A2G 12 -64.436 -74.531 -46.268 97 H5 A2G 12 H5 A2G 12 -66.955 -75.526 -43.619 98 H6 A2G 12 H6 A2G 12 -67.220 -73.481 -44.753 99 H8 A2G 12 H8 A2G 12 -64.149 -81.414 -42.911 100 H8A A2G 12 H8A A2G 12 -62.470 -81.030 -43.288 101 H8B A2G 12 H8B A2G 12 -63.375 -82.136 -44.321 102 H14 A2G 12 H14 A2G 12 -66.631 -74.144 -46.278 103 H15 A2G 12 H15 A2G 12 -69.094 -73.868 -45.617 Start of MODEL 13 1 H1 ACE 1 H1 ACE 1 -63.264 -70.869 -32.679 2 H2 ACE 1 H2 ACE 1 -64.395 -70.685 -31.339 3 H3 ACE 1 H3 ACE 1 -64.253 -69.415 -32.556 4 HA PRO 2 HA PRO 2 -67.402 -70.905 -35.205 5 HB2 PRO 2 HB2 PRO 2 -65.762 -71.834 -37.383 6 HB3 PRO 2 HB3 PRO 2 -66.687 -70.330 -37.275 7 HG2 PRO 2 HG2 PRO 2 -63.832 -70.791 -36.878 8 HG3 PRO 2 HG3 PRO 2 -64.698 -69.284 -37.208 9 HD2 PRO 2 HD2 PRO 2 -63.564 -69.858 -34.782 10 HD3 PRO 2 HD3 PRO 2 -64.983 -68.802 -34.966 11 H THR 3 H THR 3 -68.074 -72.909 -36.554 12 HA THR 3 HA THR 3 -67.323 -75.282 -35.011 13 HB THR 3 HB THR 3 -69.303 -76.307 -36.125 14 HG21 THR 3 HG21 THR 3 -69.249 -74.478 -34.081 15 HG22 THR 3 HG22 THR 3 -70.681 -75.384 -34.570 16 HG23 THR 3 HG23 THR 3 -70.422 -73.749 -35.178 17 H THR 4 H THR 4 -67.856 -77.304 -36.755 18 HA THR 4 HA THR 4 -66.074 -76.903 -39.063 19 HB THR 4 HB THR 4 -64.933 -79.057 -38.530 20 HG21 THR 4 HG21 THR 4 -63.402 -78.098 -37.022 21 HG22 THR 4 HG22 THR 4 -64.663 -77.214 -36.164 22 HG23 THR 4 HG23 THR 4 -64.159 -76.692 -37.771 23 H THR 5 H THR 5 -66.600 -78.098 -40.848 24 HA THR 5 HA THR 5 -69.162 -79.514 -40.730 25 HB THR 5 HB THR 5 -68.597 -79.534 -43.340 26 HG21 THR 5 HG21 THR 5 -69.530 -77.069 -43.293 27 HG22 THR 5 HG22 THR 5 -69.685 -77.376 -41.563 28 HG23 THR 5 HG23 THR 5 -70.535 -78.400 -42.720 29 HA PRO 6 HA PRO 6 -67.795 -83.656 -40.901 30 HB2 PRO 6 HB2 PRO 6 -68.971 -84.285 -43.453 31 HB3 PRO 6 HB3 PRO 6 -69.577 -84.689 -41.840 32 HG2 PRO 6 HG2 PRO 6 -70.395 -82.551 -43.654 33 HG3 PRO 6 HG3 PRO 6 -71.247 -83.245 -42.267 34 HD2 PRO 6 HD2 PRO 6 -70.163 -80.729 -42.253 35 HD3 PRO 6 HD3 PRO 6 -70.354 -81.715 -40.784 36 H LEU 7 H LEU 7 -65.566 -82.929 -41.240 37 HA LEU 7 HA LEU 7 -64.448 -82.496 -43.804 38 HB2 LEU 7 HB2 LEU 7 -62.339 -82.576 -42.733 39 HB3 LEU 7 HB3 LEU 7 -63.440 -81.933 -41.513 40 HG LEU 7 HG LEU 7 -62.490 -84.801 -41.759 41 HD11 LEU 7 HD11 LEU 7 -62.138 -83.499 -39.198 42 HD12 LEU 7 HD12 LEU 7 -61.386 -82.546 -40.477 43 HD13 LEU 7 HD13 LEU 7 -60.922 -84.231 -40.245 44 HD21 LEU 7 HD21 LEU 7 -64.594 -83.489 -40.029 45 HD22 LEU 7 HD22 LEU 7 -63.791 -84.981 -39.539 46 HD23 LEU 7 HD23 LEU 7 -64.746 -84.940 -41.021 47 H LYS 8 H LYS 8 -66.074 -85.075 -43.101 48 HA LYS 8 HA LYS 8 -65.994 -87.335 -43.585 49 HB2 LYS 8 HB2 LYS 8 -64.514 -86.069 -45.896 50 HB3 LYS 8 HB3 LYS 8 -64.984 -87.768 -45.868 51 HG2 LYS 8 HG2 LYS 8 -67.090 -85.762 -45.209 52 HG3 LYS 8 HG3 LYS 8 -66.582 -85.878 -46.895 53 HD2 LYS 8 HD2 LYS 8 -67.194 -88.390 -45.370 54 HD3 LYS 8 HD3 LYS 8 -68.521 -87.423 -46.013 55 HE2 LYS 8 HE2 LYS 8 -67.956 -87.851 -48.206 56 HE3 LYS 8 HE3 LYS 8 -66.238 -88.010 -47.842 57 HZ1 LYS 8 HZ1 LYS 8 -66.473 -90.171 -47.203 58 HZ2 LYS 8 HZ2 LYS 8 -67.690 -90.094 -48.385 59 HZ3 LYS 8 HZ3 LYS 8 -68.093 -89.990 -46.738 60 HN1 NH2 9 HN1 NH2 9 -64.488 -88.623 -42.052 61 HN2 NH2 9 HN2 NH2 9 -63.074 -87.745 -41.720 62 H1 A2G 10 H1 A2G 10 -69.212 -76.240 -38.458 63 H2 A2G 10 H2 A2G 10 -70.734 -75.563 -40.264 64 HN2 A2G 10 HN2 A2G 10 -68.957 -73.350 -39.419 65 H3 A2G 10 H3 A2G 10 -71.359 -73.171 -38.512 66 HO3 A2G 10 HO3 A2G 10 -72.869 -73.886 -40.717 67 H4 A2G 10 H4 A2G 10 -73.569 -74.135 -38.238 68 HO4 A2G 10 HO4 A2G 10 -74.217 -75.518 -39.648 69 H5 A2G 10 H5 A2G 10 -71.900 -74.880 -36.605 70 H6 A2G 10 H6 A2G 10 -73.666 -77.143 -37.592 71 H8 A2G 10 H8 A2G 10 -68.070 -72.363 -41.927 72 H8A A2G 10 H8A A2G 10 -67.135 -73.774 -42.425 73 H8B A2G 10 H8B A2G 10 -67.026 -73.184 -40.767 74 H14 A2G 10 H14 A2G 10 -72.909 -77.071 -36.001 75 H15 A2G 10 H15 A2G 10 -74.665 -75.105 -37.037 76 H1 A2G 11 H1 A2G 11 -66.509 -80.698 -38.105 77 H2 A2G 11 H2 A2G 11 -66.933 -82.413 -36.397 78 HN2 A2G 11 HN2 A2G 11 -68.270 -79.860 -35.718 79 H3 A2G 11 H3 A2G 11 -66.111 -80.280 -34.407 80 HO3 A2G 11 HO3 A2G 11 -67.726 -81.795 -33.755 81 H4 A2G 11 H4 A2G 11 -64.157 -81.660 -33.978 82 HO4 A2G 11 HO4 A2G 11 -65.558 -83.400 -35.628 83 H5 A2G 11 H5 A2G 11 -63.935 -80.008 -35.781 84 H6 A2G 11 H6 A2G 11 -61.994 -80.902 -36.784 85 H8 A2G 11 H8 A2G 11 -70.818 -80.239 -37.022 86 H8A A2G 11 H8A A2G 11 -70.541 -80.101 -35.286 87 H8B A2G 11 H8B A2G 11 -71.377 -81.512 -35.936 88 H14 A2G 11 H14 A2G 11 -62.139 -81.831 -35.293 89 H15 A2G 11 H15 A2G 11 -61.791 -83.168 -37.114 90 H1 A2G 12 H1 A2G 12 -66.369 -79.739 -43.553 91 H2 A2G 12 H2 A2G 12 -64.363 -78.592 -44.387 92 HN2 A2G 12 HN2 A2G 12 -64.992 -77.709 -41.632 93 H3 A2G 12 H3 A2G 12 -65.712 -76.057 -43.419 94 HO3 A2G 12 HO3 A2G 12 -63.324 -76.373 -43.398 95 H4 A2G 12 H4 A2G 12 -65.901 -75.452 -45.765 96 HO4 A2G 12 HO4 A2G 12 -64.758 -78.002 -46.248 97 H5 A2G 12 H5 A2G 12 -67.764 -76.752 -44.834 98 H6 A2G 12 H6 A2G 12 -67.285 -76.354 -47.478 99 H8 A2G 12 H8 A2G 12 -63.434 -78.116 -40.090 100 H8A A2G 12 H8A A2G 12 -61.974 -79.000 -40.535 101 H8B A2G 12 H8B A2G 12 -63.457 -79.877 -40.158 102 H14 A2G 12 H14 A2G 12 -67.428 -78.111 -47.453 103 H15 A2G 12 H15 A2G 12 -69.302 -76.539 -46.084 Start of MODEL 14 1 H1 ACE 1 H1 ACE 1 -65.440 -71.118 -31.099 2 H2 ACE 1 H2 ACE 1 -64.791 -72.758 -31.058 3 H3 ACE 1 H3 ACE 1 -66.339 -72.403 -30.291 4 HA PRO 2 HA PRO 2 -67.330 -71.579 -35.019 5 HB2 PRO 2 HB2 PRO 2 -65.104 -72.699 -36.466 6 HB3 PRO 2 HB3 PRO 2 -65.690 -71.029 -36.479 7 HG2 PRO 2 HG2 PRO 2 -63.434 -72.200 -35.040 8 HG3 PRO 2 HG3 PRO 2 -63.775 -70.506 -35.421 9 HD2 PRO 2 HD2 PRO 2 -63.945 -71.533 -32.888 10 HD3 PRO 2 HD3 PRO 2 -64.917 -70.152 -33.445 11 H THR 3 H THR 3 -68.138 -73.157 -36.562 12 HA THR 3 HA THR 3 -68.176 -75.860 -35.430 13 HB THR 3 HB THR 3 -69.873 -75.669 -37.699 14 HG21 THR 3 HG21 THR 3 -70.321 -77.016 -35.710 15 HG22 THR 3 HG22 THR 3 -71.639 -75.869 -35.950 16 HG23 THR 3 HG23 THR 3 -70.416 -75.560 -34.717 17 H THR 4 H THR 4 -68.318 -77.667 -37.113 18 HA THR 4 HA THR 4 -66.530 -77.184 -39.401 19 HB THR 4 HB THR 4 -65.291 -79.278 -38.849 20 HG21 THR 4 HG21 THR 4 -65.165 -77.391 -36.499 21 HG22 THR 4 HG22 THR 4 -64.614 -76.898 -38.100 22 HG23 THR 4 HG23 THR 4 -63.843 -78.257 -37.282 23 H THR 5 H THR 5 -66.358 -79.470 -40.611 24 HA THR 5 HA THR 5 -68.944 -80.845 -40.614 25 HB THR 5 HB THR 5 -68.758 -80.547 -43.256 26 HG21 THR 5 HG21 THR 5 -70.696 -79.918 -41.871 27 HG22 THR 5 HG22 THR 5 -70.342 -78.659 -43.054 28 HG23 THR 5 HG23 THR 5 -69.866 -78.445 -41.370 29 HA PRO 6 HA PRO 6 -66.778 -84.561 -41.360 30 HB2 PRO 6 HB2 PRO 6 -68.137 -85.243 -43.806 31 HB3 PRO 6 HB3 PRO 6 -68.418 -85.887 -42.182 32 HG2 PRO 6 HG2 PRO 6 -69.903 -83.854 -43.660 33 HG3 PRO 6 HG3 PRO 6 -70.395 -84.818 -42.260 34 HD2 PRO 6 HD2 PRO 6 -69.868 -82.134 -42.115 35 HD3 PRO 6 HD3 PRO 6 -69.643 -83.245 -40.744 36 H LEU 7 H LEU 7 -64.814 -83.349 -41.884 37 HA LEU 7 HA LEU 7 -64.176 -82.492 -44.507 38 HB2 LEU 7 HB2 LEU 7 -61.776 -82.689 -43.625 39 HB3 LEU 7 HB3 LEU 7 -62.857 -81.598 -42.758 40 HG LEU 7 HG LEU 7 -62.952 -84.375 -41.791 41 HD11 LEU 7 HD11 LEU 7 -60.786 -84.223 -40.605 42 HD12 LEU 7 HD12 LEU 7 -60.427 -82.725 -41.465 43 HD13 LEU 7 HD13 LEU 7 -60.557 -84.242 -42.355 44 HD21 LEU 7 HD21 LEU 7 -63.950 -82.218 -40.787 45 HD22 LEU 7 HD22 LEU 7 -62.303 -81.835 -40.286 46 HD23 LEU 7 HD23 LEU 7 -63.093 -83.291 -39.679 47 H LYS 8 H LYS 8 -65.278 -85.253 -44.256 48 HA LYS 8 HA LYS 8 -63.126 -87.050 -44.969 49 HB2 LYS 8 HB2 LYS 8 -66.132 -87.390 -45.081 50 HB3 LYS 8 HB3 LYS 8 -64.954 -88.677 -45.349 51 HG2 LYS 8 HG2 LYS 8 -64.524 -87.139 -42.870 52 HG3 LYS 8 HG3 LYS 8 -66.034 -88.052 -42.905 53 HD2 LYS 8 HD2 LYS 8 -64.804 -90.100 -43.479 54 HD3 LYS 8 HD3 LYS 8 -63.289 -89.198 -43.495 55 HE2 LYS 8 HE2 LYS 8 -63.208 -89.023 -41.202 56 HE3 LYS 8 HE3 LYS 8 -64.963 -88.998 -41.037 57 HZ1 LYS 8 HZ1 LYS 8 -63.626 -91.088 -40.336 58 HZ2 LYS 8 HZ2 LYS 8 -63.637 -91.437 -41.999 59 HZ3 LYS 8 HZ3 LYS 8 -65.101 -91.269 -41.153 60 HN1 NH2 9 HN1 NH2 9 -65.366 -86.862 -48.312 61 HN2 NH2 9 HN2 NH2 9 -66.065 -86.121 -46.955 62 H1 A2G 10 H1 A2G 10 -71.583 -74.570 -38.060 63 H2 A2G 10 H2 A2G 10 -71.214 -72.794 -39.715 64 HN2 A2G 10 HN2 A2G 10 -68.624 -73.992 -38.909 65 H3 A2G 10 H3 A2G 10 -69.105 -71.773 -37.792 66 HO3 A2G 10 HO3 A2G 10 -70.137 -70.584 -40.137 67 H4 A2G 10 H4 A2G 10 -70.575 -69.870 -37.443 68 HO4 A2G 10 HO4 A2G 10 -71.929 -69.492 -38.982 69 H5 A2G 10 H5 A2G 10 -70.929 -71.798 -35.963 70 H6 A2G 10 H6 A2G 10 -73.708 -70.944 -36.714 71 H8 A2G 10 H8 A2G 10 -67.402 -74.386 -41.032 72 H8A A2G 10 H8A A2G 10 -68.349 -75.222 -42.263 73 H8B A2G 10 H8B A2G 10 -68.066 -75.986 -40.698 74 H14 A2G 10 H14 A2G 10 -72.989 -71.108 -35.112 75 H15 A2G 10 H15 A2G 10 -73.244 -68.918 -36.483 76 H1 A2G 11 H1 A2G 11 -66.764 -80.995 -38.454 77 H2 A2G 11 H2 A2G 11 -67.174 -82.725 -36.757 78 HN2 A2G 11 HN2 A2G 11 -68.654 -80.248 -36.097 79 H3 A2G 11 H3 A2G 11 -66.525 -80.554 -34.745 80 HO3 A2G 11 HO3 A2G 11 -68.007 -82.668 -34.562 81 H4 A2G 11 H4 A2G 11 -64.528 -81.843 -34.238 82 HO4 A2G 11 HO4 A2G 11 -65.471 -83.558 -36.289 83 H5 A2G 11 H5 A2G 11 -64.312 -80.185 -36.037 84 H6 A2G 11 H6 A2G 11 -62.259 -80.935 -36.805 85 H8 A2G 11 H8 A2G 11 -70.869 -80.311 -37.301 86 H8A A2G 11 H8A A2G 11 -71.163 -81.010 -35.708 87 H8B A2G 11 H8B A2G 11 -71.648 -81.888 -37.160 88 H14 A2G 11 H14 A2G 11 -62.516 -82.087 -35.495 89 H15 A2G 11 H15 A2G 11 -62.406 -82.501 -38.172 90 H1 A2G 12 H1 A2G 12 -66.573 -80.234 -43.795 91 H2 A2G 12 H2 A2G 12 -65.080 -78.587 -44.846 92 HN2 A2G 12 HN2 A2G 12 -65.401 -78.165 -41.933 93 H3 A2G 12 H3 A2G 12 -66.769 -76.515 -43.420 94 HO3 A2G 12 HO3 A2G 12 -64.293 -76.501 -44.288 95 H4 A2G 12 H4 A2G 12 -67.535 -75.851 -45.628 96 HO4 A2G 12 HO4 A2G 12 -65.895 -76.329 -46.959 97 H5 A2G 12 H5 A2G 12 -68.837 -77.615 -44.521 98 H6 A2G 12 H6 A2G 12 -69.139 -76.921 -47.050 99 H8 A2G 12 H8 A2G 12 -63.550 -78.123 -40.710 100 H8A A2G 12 H8A A2G 12 -61.981 -78.264 -41.501 101 H8B A2G 12 H8B A2G 12 -62.900 -79.716 -41.103 102 H14 A2G 12 H14 A2G 12 -68.581 -78.565 -47.362 103 H15 A2G 12 H15 A2G 12 -70.991 -77.891 -46.821 Start of MODEL 15 1 H1 ACE 1 H1 ACE 1 -65.226 -68.978 -32.455 2 H2 ACE 1 H2 ACE 1 -64.295 -70.402 -31.988 3 H3 ACE 1 H3 ACE 1 -65.909 -70.144 -31.322 4 HA PRO 2 HA PRO 2 -66.852 -70.795 -36.089 5 HB2 PRO 2 HB2 PRO 2 -64.414 -71.848 -37.204 6 HB3 PRO 2 HB3 PRO 2 -65.278 -70.372 -37.659 7 HG2 PRO 2 HG2 PRO 2 -62.911 -70.699 -35.982 8 HG3 PRO 2 HG3 PRO 2 -63.525 -69.256 -36.802 9 HD2 PRO 2 HD2 PRO 2 -63.609 -69.583 -34.084 10 HD3 PRO 2 HD3 PRO 2 -64.784 -68.596 -34.981 11 H THR 3 H THR 3 -67.701 -72.751 -36.737 12 HA THR 3 HA THR 3 -66.931 -75.086 -35.145 13 HB THR 3 HB THR 3 -69.036 -76.066 -36.051 14 HG21 THR 3 HG21 THR 3 -69.956 -73.415 -35.138 15 HG22 THR 3 HG22 THR 3 -68.742 -74.164 -34.102 16 HG23 THR 3 HG23 THR 3 -70.251 -75.009 -34.443 17 H THR 4 H THR 4 -67.650 -77.170 -36.713 18 HA THR 4 HA THR 4 -66.079 -76.950 -39.192 19 HB THR 4 HB THR 4 -64.941 -79.099 -38.640 20 HG21 THR 4 HG21 THR 4 -64.037 -76.731 -38.096 21 HG22 THR 4 HG22 THR 4 -63.266 -78.107 -37.306 22 HG23 THR 4 HG23 THR 4 -64.431 -77.122 -36.422 23 H THR 5 H THR 5 -66.774 -78.257 -40.843 24 HA THR 5 HA THR 5 -69.360 -79.566 -40.425 25 HB THR 5 HB THR 5 -69.051 -79.787 -43.050 26 HG21 THR 5 HG21 THR 5 -69.843 -77.470 -41.336 27 HG22 THR 5 HG22 THR 5 -70.828 -78.448 -42.422 28 HG23 THR 5 HG23 THR 5 -69.751 -77.215 -43.078 29 HA PRO 6 HA PRO 6 -68.137 -83.756 -40.384 30 HB2 PRO 6 HB2 PRO 6 -69.552 -84.529 -42.771 31 HB3 PRO 6 HB3 PRO 6 -70.025 -84.788 -41.086 32 HG2 PRO 6 HG2 PRO 6 -70.933 -82.763 -42.982 33 HG3 PRO 6 HG3 PRO 6 -71.680 -83.319 -41.478 34 HD2 PRO 6 HD2 PRO 6 -70.524 -80.851 -41.751 35 HD3 PRO 6 HD3 PRO 6 -70.614 -81.717 -40.200 36 H LEU 7 H LEU 7 -65.925 -83.153 -40.964 37 HA LEU 7 HA LEU 7 -65.017 -82.935 -43.634 38 HB2 LEU 7 HB2 LEU 7 -62.770 -83.576 -42.565 39 HB3 LEU 7 HB3 LEU 7 -63.559 -82.118 -41.961 40 HG LEU 7 HG LEU 7 -64.379 -84.592 -40.584 41 HD11 LEU 7 HD11 LEU 7 -62.288 -84.742 -39.268 42 HD12 LEU 7 HD12 LEU 7 -61.546 -83.537 -40.319 43 HD13 LEU 7 HD13 LEU 7 -62.001 -85.113 -40.968 44 HD21 LEU 7 HD21 LEU 7 -64.383 -83.164 -38.700 45 HD22 LEU 7 HD22 LEU 7 -64.840 -82.099 -40.029 46 HD23 LEU 7 HD23 LEU 7 -63.189 -82.078 -39.411 47 H LYS 8 H LYS 8 -66.229 -84.710 -44.619 48 HA LYS 8 HA LYS 8 -66.513 -86.885 -45.350 49 HB2 LYS 8 HB2 LYS 8 -63.494 -86.815 -45.119 50 HB3 LYS 8 HB3 LYS 8 -64.437 -87.912 -46.129 51 HG2 LYS 8 HG2 LYS 8 -65.387 -85.920 -47.315 52 HG3 LYS 8 HG3 LYS 8 -64.296 -84.895 -46.382 53 HD2 LYS 8 HD2 LYS 8 -62.882 -85.226 -48.140 54 HD3 LYS 8 HD3 LYS 8 -62.547 -86.758 -47.330 55 HE2 LYS 8 HE2 LYS 8 -64.329 -87.841 -48.670 56 HE3 LYS 8 HE3 LYS 8 -64.616 -86.313 -49.503 57 HZ1 LYS 8 HZ1 LYS 8 -62.430 -86.355 -50.396 58 HZ2 LYS 8 HZ2 LYS 8 -63.123 -87.876 -50.700 59 HZ3 LYS 8 HZ3 LYS 8 -61.990 -87.691 -49.448 60 HN1 NH2 9 HN1 NH2 9 -64.535 -89.310 -42.965 61 HN2 NH2 9 HN2 NH2 9 -63.633 -88.171 -43.842 62 H1 A2G 10 H1 A2G 10 -69.140 -76.108 -38.384 63 H2 A2G 10 H2 A2G 10 -70.780 -75.437 -40.086 64 HN2 A2G 10 HN2 A2G 10 -68.901 -73.218 -39.531 65 H3 A2G 10 H3 A2G 10 -71.152 -72.953 -38.393 66 HO3 A2G 10 HO3 A2G 10 -71.936 -73.793 -40.925 67 H4 A2G 10 H4 A2G 10 -73.378 -73.804 -37.916 68 HO4 A2G 10 HO4 A2G 10 -73.652 -76.121 -38.614 69 H5 A2G 10 H5 A2G 10 -71.597 -74.529 -36.389 70 H6 A2G 10 H6 A2G 10 -72.854 -77.125 -36.483 71 H8 A2G 10 H8 A2G 10 -68.121 -72.592 -42.265 72 H8A A2G 10 H8A A2G 10 -67.128 -74.037 -42.456 73 H8B A2G 10 H8B A2G 10 -67.080 -73.128 -40.945 74 H14 A2G 10 H14 A2G 10 -73.125 -75.813 -35.336 75 H15 A2G 10 H15 A2G 10 -74.759 -76.661 -37.193 76 H1 A2G 11 H1 A2G 11 -66.496 -80.674 -37.993 77 H2 A2G 11 H2 A2G 11 -66.828 -82.279 -36.163 78 HN2 A2G 11 HN2 A2G 11 -68.051 -79.637 -35.623 79 H3 A2G 11 H3 A2G 11 -65.806 -80.063 -34.366 80 HO3 A2G 11 HO3 A2G 11 -67.203 -82.368 -34.000 81 H4 A2G 11 H4 A2G 11 -63.858 -81.471 -34.006 82 HO4 A2G 11 HO4 A2G 11 -63.656 -83.419 -35.072 83 H5 A2G 11 H5 A2G 11 -63.734 -79.929 -35.912 84 H6 A2G 11 H6 A2G 11 -62.051 -81.149 -37.268 85 H8 A2G 11 H8 A2G 11 -70.402 -79.699 -36.328 86 H8A A2G 11 H8A A2G 11 -70.531 -80.205 -34.643 87 H8B A2G 11 H8B A2G 11 -71.248 -81.191 -35.918 88 H14 A2G 11 H14 A2G 11 -61.819 -81.435 -35.544 89 H15 A2G 11 H15 A2G 11 -61.743 -83.389 -36.639 90 H1 A2G 12 H1 A2G 12 -66.837 -80.178 -43.420 91 H2 A2G 12 H2 A2G 12 -64.892 -79.236 -44.590 92 HN2 A2G 12 HN2 A2G 12 -65.233 -78.147 -41.858 93 H3 A2G 12 H3 A2G 12 -66.009 -76.543 -43.762 94 HO3 A2G 12 HO3 A2G 12 -63.721 -76.744 -43.878 95 H4 A2G 12 H4 A2G 12 -66.441 -76.176 -46.124 96 HO4 A2G 12 HO4 A2G 12 -65.668 -77.460 -47.606 97 H5 A2G 12 H5 A2G 12 -68.239 -77.266 -44.858 98 H6 A2G 12 H6 A2G 12 -68.185 -77.067 -47.498 99 H8 A2G 12 H8 A2G 12 -63.440 -78.230 -40.535 100 H8A A2G 12 H8A A2G 12 -61.964 -79.004 -41.112 101 H8B A2G 12 H8B A2G 12 -63.271 -79.983 -40.449 102 H14 A2G 12 H14 A2G 12 -68.126 -78.828 -47.418 103 H15 A2G 12 H15 A2G 12 -69.951 -77.903 -45.695 Start of MODEL 16 1 H1 ACE 1 H1 ACE 1 -63.756 -72.198 -31.896 2 H2 ACE 1 H2 ACE 1 -64.950 -72.146 -30.600 3 H3 ACE 1 H3 ACE 1 -64.640 -70.707 -31.571 4 HA PRO 2 HA PRO 2 -67.723 -71.460 -34.583 5 HB2 PRO 2 HB2 PRO 2 -66.029 -72.145 -36.809 6 HB3 PRO 2 HB3 PRO 2 -66.844 -70.608 -36.487 7 HG2 PRO 2 HG2 PRO 2 -64.060 -71.368 -36.042 8 HG3 PRO 2 HG3 PRO 2 -64.790 -69.759 -36.147 9 HD2 PRO 2 HD2 PRO 2 -63.851 -70.825 -33.806 10 HD3 PRO 2 HD3 PRO 2 -65.174 -69.638 -33.872 11 H THR 3 H THR 3 -68.465 -73.145 -36.283 12 HA THR 3 HA THR 3 -67.977 -75.801 -35.143 13 HB THR 3 HB THR 3 -69.922 -75.915 -37.204 14 HG21 THR 3 HG21 THR 3 -69.961 -77.259 -35.171 15 HG22 THR 3 HG22 THR 3 -71.440 -76.301 -35.255 16 HG23 THR 3 HG23 THR 3 -70.130 -75.809 -34.182 17 H THR 4 H THR 4 -68.173 -77.618 -36.893 18 HA THR 4 HA THR 4 -66.625 -76.920 -39.298 19 HB THR 4 HB THR 4 -65.666 -79.431 -38.397 20 HG21 THR 4 HG21 THR 4 -63.523 -78.258 -38.381 21 HG22 THR 4 HG22 THR 4 -64.349 -76.701 -38.332 22 HG23 THR 4 HG23 THR 4 -64.475 -77.721 -39.765 23 H THR 5 H THR 5 -66.802 -78.460 -41.007 24 HA THR 5 HA THR 5 -69.334 -79.931 -40.920 25 HB THR 5 HB THR 5 -68.846 -80.178 -43.422 26 HG21 THR 5 HG21 THR 5 -70.336 -78.485 -43.381 27 HG22 THR 5 HG22 THR 5 -68.964 -77.376 -43.390 28 HG23 THR 5 HG23 THR 5 -69.684 -77.876 -41.860 29 HA PRO 6 HA PRO 6 -67.426 -83.883 -40.769 30 HB2 PRO 6 HB2 PRO 6 -69.328 -85.124 -42.543 31 HB3 PRO 6 HB3 PRO 6 -69.303 -85.148 -40.773 32 HG2 PRO 6 HG2 PRO 6 -71.185 -83.865 -42.334 33 HG3 PRO 6 HG3 PRO 6 -70.867 -83.540 -40.625 34 HD2 PRO 6 HD2 PRO 6 -70.031 -81.979 -43.024 35 HD3 PRO 6 HD3 PRO 6 -70.381 -81.418 -41.374 36 H LEU 7 H LEU 7 -65.471 -83.804 -41.844 37 HA LEU 7 HA LEU 7 -65.146 -83.540 -44.639 38 HB2 LEU 7 HB2 LEU 7 -62.857 -83.977 -44.266 39 HB3 LEU 7 HB3 LEU 7 -63.404 -83.213 -42.772 40 HG LEU 7 HG LEU 7 -63.062 -86.186 -43.258 41 HD11 LEU 7 HD11 LEU 7 -61.174 -84.306 -42.582 42 HD12 LEU 7 HD12 LEU 7 -61.082 -86.015 -42.156 43 HD13 LEU 7 HD13 LEU 7 -61.724 -84.852 -40.997 44 HD21 LEU 7 HD21 LEU 7 -64.957 -85.983 -41.838 45 HD22 LEU 7 HD22 LEU 7 -64.261 -84.612 -40.973 46 HD23 LEU 7 HD23 LEU 7 -63.602 -86.231 -40.737 47 H LYS 8 H LYS 8 -63.616 -85.459 -45.638 48 HA LYS 8 HA LYS 8 -65.475 -87.633 -46.056 49 HB2 LYS 8 HB2 LYS 8 -63.904 -86.492 -47.791 50 HB3 LYS 8 HB3 LYS 8 -62.670 -87.567 -47.132 51 HG2 LYS 8 HG2 LYS 8 -64.103 -89.516 -47.600 52 HG3 LYS 8 HG3 LYS 8 -65.349 -88.448 -48.248 53 HD2 LYS 8 HD2 LYS 8 -62.589 -88.228 -49.377 54 HD3 LYS 8 HD3 LYS 8 -63.572 -89.614 -49.853 55 HE2 LYS 8 HE2 LYS 8 -65.158 -88.298 -50.921 56 HE3 LYS 8 HE3 LYS 8 -64.813 -86.888 -49.919 57 HZ1 LYS 8 HZ1 LYS 8 -63.378 -87.893 -52.274 58 HZ2 LYS 8 HZ2 LYS 8 -62.508 -87.047 -51.086 59 HZ3 LYS 8 HZ3 LYS 8 -63.816 -86.303 -51.876 60 HN1 NH2 9 HN1 NH2 9 -61.999 -89.191 -45.335 61 HN2 NH2 9 HN2 NH2 9 -63.288 -90.072 -46.001 62 H1 A2G 10 H1 A2G 10 -71.805 -75.113 -37.359 63 H2 A2G 10 H2 A2G 10 -72.081 -73.269 -38.961 64 HN2 A2G 10 HN2 A2G 10 -69.220 -73.957 -38.620 65 H3 A2G 10 H3 A2G 10 -69.934 -71.871 -37.341 66 HO3 A2G 10 HO3 A2G 10 -69.784 -71.193 -39.391 67 H4 A2G 10 H4 A2G 10 -71.679 -70.317 -36.671 68 HO4 A2G 10 HO4 A2G 10 -72.883 -70.792 -38.705 69 H5 A2G 10 H5 A2G 10 -71.401 -72.302 -35.252 70 H6 A2G 10 H6 A2G 10 -74.357 -72.208 -35.379 71 H8 A2G 10 H8 A2G 10 -68.409 -74.113 -41.324 72 H8A A2G 10 H8A A2G 10 -69.302 -75.565 -41.778 73 H8B A2G 10 H8B A2G 10 -68.441 -75.503 -40.239 74 H14 A2G 10 H14 A2G 10 -73.279 -71.866 -34.026 75 H15 A2G 10 H15 A2G 10 -74.534 -70.082 -35.218 76 H1 A2G 11 H1 A2G 11 -64.294 -79.863 -36.849 77 H2 A2G 11 H2 A2G 11 -65.367 -81.170 -35.066 78 HN2 A2G 11 HN2 A2G 11 -67.332 -80.201 -37.059 79 H3 A2G 11 H3 A2G 11 -67.303 -78.846 -34.869 80 HO3 A2G 11 HO3 A2G 11 -68.403 -80.135 -33.616 81 H4 A2G 11 H4 A2G 11 -66.318 -78.417 -32.690 82 HO4 A2G 11 HO4 A2G 11 -64.217 -80.170 -33.110 83 H5 A2G 11 H5 A2G 11 -65.241 -77.307 -34.596 84 H6 A2G 11 H6 A2G 11 -62.943 -77.048 -33.620 85 H8 A2G 11 H8 A2G 11 -67.559 -82.007 -38.846 86 H8A A2G 11 H8A A2G 11 -68.834 -82.265 -37.655 87 H8B A2G 11 H8B A2G 11 -67.766 -83.594 -38.105 88 H14 A2G 11 H14 A2G 11 -64.224 -76.907 -32.416 89 H15 A2G 11 H15 A2G 11 -63.180 -79.439 -32.922 90 H1 A2G 12 H1 A2G 12 -66.661 -80.888 -43.667 91 H2 A2G 12 H2 A2G 12 -64.636 -80.245 -44.902 92 HN2 A2G 12 HN2 A2G 12 -64.808 -78.943 -42.249 93 H3 A2G 12 H3 A2G 12 -65.422 -77.397 -44.231 94 HO3 A2G 12 HO3 A2G 12 -63.373 -77.174 -44.562 95 H4 A2G 12 H4 A2G 12 -65.865 -77.115 -46.600 96 HO4 A2G 12 HO4 A2G 12 -64.336 -79.208 -46.822 97 H5 A2G 12 H5 A2G 12 -67.759 -77.939 -45.279 98 H6 A2G 12 H6 A2G 12 -67.629 -77.974 -47.962 99 H8 A2G 12 H8 A2G 12 -63.099 -79.265 -40.864 100 H8A A2G 12 H8A A2G 12 -61.727 -80.242 -41.385 101 H8B A2G 12 H8B A2G 12 -63.169 -81.023 -40.736 102 H14 A2G 12 H14 A2G 12 -67.906 -79.694 -47.688 103 H15 A2G 12 H15 A2G 12 -69.888 -79.244 -47.239 Start of MODEL 17 1 H1 ACE 1 H1 ACE 1 -66.928 -69.908 -31.143 2 H2 ACE 1 H2 ACE 1 -68.670 -69.626 -31.168 3 H3 ACE 1 H3 ACE 1 -67.582 -68.503 -31.985 4 HA PRO 2 HA PRO 2 -67.698 -70.455 -35.899 5 HB2 PRO 2 HB2 PRO 2 -65.028 -71.533 -35.948 6 HB3 PRO 2 HB3 PRO 2 -65.636 -70.079 -36.753 7 HG2 PRO 2 HG2 PRO 2 -64.100 -70.334 -34.283 8 HG3 PRO 2 HG3 PRO 2 -64.343 -68.923 -35.323 9 HD2 PRO 2 HD2 PRO 2 -65.469 -69.165 -32.836 10 HD3 PRO 2 HD3 PRO 2 -66.197 -68.209 -34.147 11 H THR 3 H THR 3 -67.200 -72.630 -37.045 12 HA THR 3 HA THR 3 -67.116 -74.910 -35.211 13 HB THR 3 HB THR 3 -69.160 -75.890 -36.250 14 HG21 THR 3 HG21 THR 3 -69.910 -73.198 -35.141 15 HG22 THR 3 HG22 THR 3 -69.070 -74.364 -34.117 16 HG23 THR 3 HG23 THR 3 -70.635 -74.774 -34.819 17 H THR 4 H THR 4 -67.525 -76.984 -36.741 18 HA THR 4 HA THR 4 -66.044 -76.621 -39.257 19 HB THR 4 HB THR 4 -64.639 -78.598 -38.713 20 HG21 THR 4 HG21 THR 4 -63.098 -77.424 -37.313 21 HG22 THR 4 HG22 THR 4 -64.392 -76.495 -36.555 22 HG23 THR 4 HG23 THR 4 -63.952 -76.186 -38.234 23 H THR 5 H THR 5 -66.316 -78.362 -40.762 24 HA THR 5 HA THR 5 -68.908 -79.690 -40.446 25 HB THR 5 HB THR 5 -68.350 -80.317 -42.925 26 HG21 THR 5 HG21 THR 5 -69.224 -78.141 -43.664 27 HG22 THR 5 HG22 THR 5 -68.825 -77.438 -42.096 28 HG23 THR 5 HG23 THR 5 -70.070 -78.682 -42.213 29 HA PRO 6 HA PRO 6 -67.186 -83.682 -39.832 30 HB2 PRO 6 HB2 PRO 6 -69.165 -85.040 -41.428 31 HB3 PRO 6 HB3 PRO 6 -69.119 -84.848 -39.670 32 HG2 PRO 6 HG2 PRO 6 -70.959 -83.679 -41.366 33 HG3 PRO 6 HG3 PRO 6 -70.606 -83.162 -39.710 34 HD2 PRO 6 HD2 PRO 6 -69.727 -81.948 -42.289 35 HD3 PRO 6 HD3 PRO 6 -70.031 -81.172 -40.718 36 H LEU 7 H LEU 7 -65.321 -84.256 -40.800 37 HA LEU 7 HA LEU 7 -64.809 -84.092 -43.574 38 HB2 LEU 7 HB2 LEU 7 -63.355 -85.806 -41.549 39 HB3 LEU 7 HB3 LEU 7 -62.723 -85.204 -43.083 40 HG LEU 7 HG LEU 7 -63.631 -82.907 -41.803 41 HD11 LEU 7 HD11 LEU 7 -62.581 -83.003 -39.570 42 HD12 LEU 7 HD12 LEU 7 -62.203 -84.707 -39.822 43 HD13 LEU 7 HD13 LEU 7 -63.883 -84.184 -39.706 44 HD21 LEU 7 HD21 LEU 7 -60.862 -84.145 -41.903 45 HD22 LEU 7 HD22 LEU 7 -61.188 -82.454 -41.521 46 HD23 LEU 7 HD23 LEU 7 -61.581 -83.089 -43.119 47 H LYS 8 H LYS 8 -65.769 -85.295 -45.080 48 HA LYS 8 HA LYS 8 -66.857 -87.906 -44.485 49 HB2 LYS 8 HB2 LYS 8 -67.474 -87.882 -46.911 50 HB3 LYS 8 HB3 LYS 8 -68.073 -86.485 -46.017 51 HG2 LYS 8 HG2 LYS 8 -65.409 -85.968 -47.024 52 HG3 LYS 8 HG3 LYS 8 -66.483 -86.444 -48.340 53 HD2 LYS 8 HD2 LYS 8 -68.106 -84.736 -47.676 54 HD3 LYS 8 HD3 LYS 8 -67.099 -84.288 -46.298 55 HE2 LYS 8 HE2 LYS 8 -66.954 -83.256 -48.925 56 HE3 LYS 8 HE3 LYS 8 -65.848 -82.936 -47.589 57 HZ1 LYS 8 HZ1 LYS 8 -64.567 -84.870 -48.209 58 HZ2 LYS 8 HZ2 LYS 8 -64.702 -83.819 -49.536 59 HZ3 LYS 8 HZ3 LYS 8 -65.648 -85.228 -49.465 60 HN1 NH2 9 HN1 NH2 9 -63.401 -88.122 -44.730 61 HN2 NH2 9 HN2 NH2 9 -63.478 -87.220 -46.166 62 H1 A2G 10 H1 A2G 10 -69.326 -75.922 -38.468 63 H2 A2G 10 H2 A2G 10 -70.741 -75.128 -40.313 64 HN2 A2G 10 HN2 A2G 10 -68.716 -73.084 -39.621 65 H3 A2G 10 H3 A2G 10 -71.016 -72.588 -38.681 66 HO3 A2G 10 HO3 A2G 10 -71.021 -72.354 -40.961 67 H4 A2G 10 H4 A2G 10 -73.347 -73.217 -38.398 68 HO4 A2G 10 HO4 A2G 10 -72.697 -74.947 -40.369 69 H5 A2G 10 H5 A2G 10 -71.784 -74.077 -36.711 70 H6 A2G 10 H6 A2G 10 -74.028 -75.885 -37.610 71 H8 A2G 10 H8 A2G 10 -67.479 -72.442 -41.665 72 H8A A2G 10 H8A A2G 10 -67.091 -73.802 -42.717 73 H8B A2G 10 H8B A2G 10 -66.529 -73.791 -41.045 74 H14 A2G 10 H14 A2G 10 -73.071 -76.273 -36.180 75 H15 A2G 10 H15 A2G 10 -73.728 -73.702 -36.087 76 H1 A2G 11 H1 A2G 11 -65.830 -80.334 -38.115 77 H2 A2G 11 H2 A2G 11 -66.272 -81.960 -36.328 78 HN2 A2G 11 HN2 A2G 11 -67.781 -79.435 -35.989 79 H3 A2G 11 H3 A2G 11 -65.691 -79.665 -34.436 80 HO3 A2G 11 HO3 A2G 11 -66.051 -81.230 -32.882 81 H4 A2G 11 H4 A2G 11 -63.709 -80.921 -33.796 82 HO4 A2G 11 HO4 A2G 11 -64.283 -82.999 -34.132 83 H5 A2G 11 H5 A2G 11 -63.448 -79.361 -35.671 84 H6 A2G 11 H6 A2G 11 -61.465 -80.345 -36.691 85 H8 A2G 11 H8 A2G 11 -70.124 -79.757 -36.758 86 H8A A2G 11 H8A A2G 11 -70.172 -80.217 -35.056 87 H8B A2G 11 H8B A2G 11 -70.802 -81.315 -36.285 88 H14 A2G 11 H14 A2G 11 -61.526 -80.827 -34.995 89 H15 A2G 11 H15 A2G 11 -61.386 -82.762 -35.783 90 H1 A2G 12 H1 A2G 12 -66.171 -80.868 -43.118 91 H2 A2G 12 H2 A2G 12 -64.113 -80.213 -44.290 92 HN2 A2G 12 HN2 A2G 12 -64.427 -78.655 -41.792 93 H3 A2G 12 H3 A2G 12 -65.081 -77.371 -43.882 94 HO3 A2G 12 HO3 A2G 12 -62.807 -77.734 -43.844 95 H4 A2G 12 H4 A2G 12 -65.375 -77.294 -46.293 96 HO4 A2G 12 HO4 A2G 12 -65.244 -79.642 -47.188 97 H5 A2G 12 H5 A2G 12 -67.301 -78.094 -44.998 98 H6 A2G 12 H6 A2G 12 -66.953 -78.402 -47.690 99 H8 A2G 12 H8 A2G 12 -62.771 -78.879 -40.294 100 H8A A2G 12 H8A A2G 12 -61.503 -80.075 -40.565 101 H8B A2G 12 H8B A2G 12 -63.064 -80.576 -39.917 102 H14 A2G 12 H14 A2G 12 -67.359 -80.053 -47.218 103 H15 A2G 12 H15 A2G 12 -68.912 -78.165 -46.005 Start of MODEL 18 1 H1 ACE 1 H1 ACE 1 -67.488 -69.809 -31.464 2 H2 ACE 1 H2 ACE 1 -69.056 -69.347 -32.127 3 H3 ACE 1 H3 ACE 1 -67.602 -68.473 -32.609 4 HA PRO 2 HA PRO 2 -66.687 -70.926 -36.116 5 HB2 PRO 2 HB2 PRO 2 -64.349 -72.282 -35.120 6 HB3 PRO 2 HB3 PRO 2 -64.426 -70.898 -36.221 7 HG2 PRO 2 HG2 PRO 2 -63.871 -70.970 -33.355 8 HG3 PRO 2 HG3 PRO 2 -63.530 -69.702 -34.541 9 HD2 PRO 2 HD2 PRO 2 -65.452 -69.462 -32.604 10 HD3 PRO 2 HD3 PRO 2 -65.545 -68.633 -34.174 11 H THR 3 H THR 3 -66.521 -73.177 -36.914 12 HA THR 3 HA THR 3 -67.102 -75.274 -34.955 13 HB THR 3 HB THR 3 -69.096 -76.014 -36.248 14 HG21 THR 3 HG21 THR 3 -70.580 -74.520 -35.206 15 HG22 THR 3 HG22 THR 3 -69.515 -73.138 -35.463 16 HG23 THR 3 HG23 THR 3 -69.113 -74.346 -34.242 17 H THR 4 H THR 4 -67.628 -77.378 -36.438 18 HA THR 4 HA THR 4 -65.715 -77.452 -38.673 19 HB THR 4 HB THR 4 -65.434 -79.900 -37.279 20 HG21 THR 4 HG21 THR 4 -63.090 -79.059 -37.004 21 HG22 THR 4 HG22 THR 4 -63.632 -77.482 -37.577 22 HG23 THR 4 HG23 THR 4 -63.702 -78.880 -38.648 23 H THR 5 H THR 5 -65.870 -79.640 -39.813 24 HA THR 5 HA THR 5 -68.519 -80.875 -39.612 25 HB THR 5 HB THR 5 -68.779 -80.644 -42.126 26 HG21 THR 5 HG21 THR 5 -69.907 -78.585 -41.924 27 HG22 THR 5 HG22 THR 5 -68.720 -77.945 -40.787 28 HG23 THR 5 HG23 THR 5 -69.864 -79.183 -40.265 29 HA PRO 6 HA PRO 6 -66.277 -84.483 -40.722 30 HB2 PRO 6 HB2 PRO 6 -68.463 -85.682 -42.168 31 HB3 PRO 6 HB3 PRO 6 -67.956 -85.986 -40.500 32 HG2 PRO 6 HG2 PRO 6 -70.306 -84.754 -41.260 33 HG3 PRO 6 HG3 PRO 6 -69.563 -84.658 -39.657 34 HD2 PRO 6 HD2 PRO 6 -69.564 -82.639 -41.853 35 HD3 PRO 6 HD3 PRO 6 -69.512 -82.396 -40.092 36 H LEU 7 H LEU 7 -64.692 -84.132 -42.215 37 HA LEU 7 HA LEU 7 -65.110 -83.266 -44.876 38 HB2 LEU 7 HB2 LEU 7 -62.709 -84.387 -45.095 39 HB3 LEU 7 HB3 LEU 7 -62.939 -82.878 -44.212 40 HG LEU 7 HG LEU 7 -63.267 -85.474 -42.749 41 HD11 LEU 7 HD11 LEU 7 -61.130 -85.696 -43.973 42 HD12 LEU 7 HD12 LEU 7 -60.852 -85.486 -42.244 43 HD13 LEU 7 HD13 LEU 7 -60.612 -84.131 -43.346 44 HD21 LEU 7 HD21 LEU 7 -61.817 -83.152 -41.619 45 HD22 LEU 7 HD22 LEU 7 -63.091 -84.140 -40.904 46 HD23 LEU 7 HD23 LEU 7 -63.505 -82.849 -42.032 47 H LYS 8 H LYS 8 -66.656 -84.556 -45.882 48 HA LYS 8 HA LYS 8 -67.549 -86.425 -46.911 49 HB2 LYS 8 HB2 LYS 8 -64.774 -87.244 -47.655 50 HB3 LYS 8 HB3 LYS 8 -66.223 -87.143 -48.656 51 HG2 LYS 8 HG2 LYS 8 -66.115 -84.638 -48.435 52 HG3 LYS 8 HG3 LYS 8 -64.560 -84.830 -47.624 53 HD2 LYS 8 HD2 LYS 8 -63.668 -84.729 -49.706 54 HD3 LYS 8 HD3 LYS 8 -64.239 -86.390 -49.874 55 HE2 LYS 8 HE2 LYS 8 -66.438 -85.452 -50.698 56 HE3 LYS 8 HE3 LYS 8 -65.674 -83.863 -50.730 57 HZ1 LYS 8 HZ1 LYS 8 -64.806 -84.364 -52.686 58 HZ2 LYS 8 HZ2 LYS 8 -65.529 -85.901 -52.646 59 HZ3 LYS 8 HZ3 LYS 8 -63.972 -85.674 -52.004 60 HN1 NH2 9 HN1 NH2 9 -66.045 -87.627 -43.831 61 HN2 NH2 9 HN2 NH2 9 -67.656 -87.935 -44.268 62 H1 A2G 10 H1 A2G 10 -69.093 -76.266 -38.402 63 H2 A2G 10 H2 A2G 10 -69.978 -75.422 -40.534 64 HN2 A2G 10 HN2 A2G 10 -67.591 -73.887 -39.686 65 H3 A2G 10 H3 A2G 10 -69.802 -72.687 -39.240 66 HO3 A2G 10 HO3 A2G 10 -69.701 -72.199 -41.275 67 H4 A2G 10 H4 A2G 10 -72.231 -72.682 -39.295 68 HO4 A2G 10 HO4 A2G 10 -73.279 -74.068 -40.459 69 H5 A2G 10 H5 A2G 10 -71.202 -73.653 -37.289 70 H6 A2G 10 H6 A2G 10 -73.291 -75.675 -37.606 71 H8 A2G 10 H8 A2G 10 -66.088 -73.956 -42.180 72 H8A A2G 10 H8A A2G 10 -65.669 -75.663 -42.035 73 H8B A2G 10 H8B A2G 10 -65.611 -74.617 -40.616 74 H14 A2G 10 H14 A2G 10 -73.231 -74.293 -36.511 75 H15 A2G 10 H15 A2G 10 -74.191 -74.450 -39.145 76 H1 A2G 11 H1 A2G 11 -64.392 -80.321 -35.457 77 H2 A2G 11 H2 A2G 11 -66.107 -81.136 -33.896 78 HN2 A2G 11 HN2 A2G 11 -67.244 -80.091 -36.421 79 H3 A2G 11 H3 A2G 11 -67.466 -78.472 -34.388 80 HO3 A2G 11 HO3 A2G 11 -69.045 -79.291 -33.201 81 H4 A2G 11 H4 A2G 11 -66.931 -77.952 -32.075 82 HO4 A2G 11 HO4 A2G 11 -66.145 -79.407 -30.751 83 H5 A2G 11 H5 A2G 11 -65.230 -77.345 -33.739 84 H6 A2G 11 H6 A2G 11 -63.159 -77.635 -32.194 85 H8 A2G 11 H8 A2G 11 -67.371 -82.347 -37.957 86 H8A A2G 11 H8A A2G 11 -68.882 -81.647 -37.372 87 H8B A2G 11 H8B A2G 11 -68.528 -83.351 -37.084 88 H14 A2G 11 H14 A2G 11 -64.537 -76.731 -31.565 89 H15 A2G 11 H15 A2G 11 -63.523 -78.560 -30.279 90 H1 A2G 12 H1 A2G 12 -66.638 -81.066 -43.114 91 H2 A2G 12 H2 A2G 12 -65.298 -79.981 -44.847 92 HN2 A2G 12 HN2 A2G 12 -64.674 -78.964 -42.137 93 H3 A2G 12 H3 A2G 12 -66.130 -77.360 -43.575 94 HO3 A2G 12 HO3 A2G 12 -65.145 -77.014 -45.938 95 H4 A2G 12 H4 A2G 12 -67.447 -76.968 -45.574 96 HO4 A2G 12 HO4 A2G 12 -67.060 -78.072 -47.296 97 H5 A2G 12 H5 A2G 12 -68.584 -78.182 -43.764 98 H6 A2G 12 H6 A2G 12 -69.644 -77.844 -46.098 99 H8 A2G 12 H8 A2G 12 -62.602 -79.170 -41.424 100 H8A A2G 12 H8A A2G 12 -61.349 -79.684 -42.553 101 H8B A2G 12 H8B A2G 12 -62.292 -80.888 -41.673 102 H14 A2G 12 H14 A2G 12 -69.327 -79.560 -46.349 103 H15 A2G 12 H15 A2G 12 -71.171 -78.313 -44.729 Start of MODEL 19 1 H1 ACE 1 H1 ACE 1 -69.169 -69.425 -31.775 2 H2 ACE 1 H2 ACE 1 -68.012 -68.313 -32.506 3 H3 ACE 1 H3 ACE 1 -67.446 -69.611 -31.455 4 HA PRO 2 HA PRO 2 -67.418 -70.571 -36.208 5 HB2 PRO 2 HB2 PRO 2 -64.738 -71.516 -35.738 6 HB3 PRO 2 HB3 PRO 2 -65.260 -70.163 -36.752 7 HG2 PRO 2 HG2 PRO 2 -64.141 -70.145 -34.055 8 HG3 PRO 2 HG3 PRO 2 -64.256 -68.836 -35.240 9 HD2 PRO 2 HD2 PRO 2 -65.767 -68.926 -32.956 10 HD3 PRO 2 HD3 PRO 2 -66.307 -68.123 -34.448 11 H THR 3 H THR 3 -67.011 -72.765 -37.102 12 HA THR 3 HA THR 3 -66.869 -74.928 -35.132 13 HB THR 3 HB THR 3 -68.906 -76.001 -36.100 14 HG21 THR 3 HG21 THR 3 -69.696 -73.273 -35.124 15 HG22 THR 3 HG22 THR 3 -68.819 -74.362 -34.050 16 HG23 THR 3 HG23 THR 3 -70.382 -74.843 -34.708 17 H THR 4 H THR 4 -67.444 -77.061 -36.680 18 HA THR 4 HA THR 4 -65.818 -76.807 -39.122 19 HB THR 4 HB THR 4 -64.609 -78.901 -38.505 20 HG21 THR 4 HG21 THR 4 -64.218 -76.901 -36.290 21 HG22 THR 4 HG22 THR 4 -63.848 -76.465 -37.959 22 HG23 THR 4 HG23 THR 4 -63.002 -77.808 -37.190 23 H THR 5 H THR 5 -66.393 -78.186 -40.767 24 HA THR 5 HA THR 5 -68.943 -79.582 -40.410 25 HB THR 5 HB THR 5 -68.679 -79.819 -42.979 26 HG21 THR 5 HG21 THR 5 -69.231 -77.384 -41.353 27 HG22 THR 5 HG22 THR 5 -70.295 -78.271 -42.445 28 HG23 THR 5 HG23 THR 5 -69.083 -77.168 -43.096 29 HA PRO 6 HA PRO 6 -67.527 -83.707 -40.177 30 HB2 PRO 6 HB2 PRO 6 -68.920 -84.628 -42.524 31 HB3 PRO 6 HB3 PRO 6 -69.375 -84.841 -40.827 32 HG2 PRO 6 HG2 PRO 6 -70.374 -82.928 -42.794 33 HG3 PRO 6 HG3 PRO 6 -71.091 -83.456 -41.265 34 HD2 PRO 6 HD2 PRO 6 -70.036 -80.956 -41.640 35 HD3 PRO 6 HD3 PRO 6 -70.084 -81.763 -40.056 36 H LEU 7 H LEU 7 -65.509 -84.285 -40.724 37 HA LEU 7 HA LEU 7 -64.175 -83.399 -43.057 38 HB2 LEU 7 HB2 LEU 7 -63.407 -85.754 -41.322 39 HB3 LEU 7 HB3 LEU 7 -62.341 -84.774 -42.330 40 HG LEU 7 HG LEU 7 -63.594 -82.891 -40.728 41 HD11 LEU 7 HD11 LEU 7 -62.765 -85.191 -38.947 42 HD12 LEU 7 HD12 LEU 7 -64.445 -84.902 -39.397 43 HD13 LEU 7 HD13 LEU 7 -63.557 -83.688 -38.476 44 HD21 LEU 7 HD21 LEU 7 -61.387 -82.741 -39.628 45 HD22 LEU 7 HD22 LEU 7 -61.206 -82.974 -41.366 46 HD23 LEU 7 HD23 LEU 7 -60.961 -84.329 -40.264 47 H LYS 8 H LYS 8 -66.707 -84.954 -43.458 48 HA LYS 8 HA LYS 8 -67.484 -86.285 -45.180 49 HB2 LYS 8 HB2 LYS 8 -65.156 -85.483 -46.211 50 HB3 LYS 8 HB3 LYS 8 -64.755 -87.184 -45.965 51 HG2 LYS 8 HG2 LYS 8 -66.776 -87.842 -47.224 52 HG3 LYS 8 HG3 LYS 8 -67.166 -86.141 -47.482 53 HD2 LYS 8 HD2 LYS 8 -64.442 -87.087 -48.270 54 HD3 LYS 8 HD3 LYS 8 -65.803 -87.532 -49.301 55 HE2 LYS 8 HE2 LYS 8 -65.518 -84.686 -48.389 56 HE3 LYS 8 HE3 LYS 8 -64.534 -85.268 -49.732 57 HZ1 LYS 8 HZ1 LYS 8 -66.301 -85.405 -51.076 58 HZ2 LYS 8 HZ2 LYS 8 -67.030 -84.330 -49.980 59 HZ3 LYS 8 HZ3 LYS 8 -67.327 -85.999 -49.863 60 HN1 NH2 9 HN1 NH2 9 -64.552 -88.481 -44.240 61 HN2 NH2 9 HN2 NH2 9 -65.348 -88.557 -42.743 62 H1 A2G 10 H1 A2G 10 -68.881 -76.056 -38.394 63 H2 A2G 10 H2 A2G 10 -70.353 -75.439 -40.263 64 HN2 A2G 10 HN2 A2G 10 -68.575 -73.192 -39.513 65 H3 A2G 10 H3 A2G 10 -70.965 -72.956 -38.635 66 HO3 A2G 10 HO3 A2G 10 -72.252 -73.863 -40.967 67 H4 A2G 10 H4 A2G 10 -73.204 -73.865 -38.386 68 HO4 A2G 10 HO4 A2G 10 -72.152 -75.843 -40.082 69 H5 A2G 10 H5 A2G 10 -71.573 -74.535 -36.677 70 H6 A2G 10 H6 A2G 10 -72.906 -77.141 -37.151 71 H8 A2G 10 H8 A2G 10 -67.563 -72.594 -42.331 72 H8A A2G 10 H8A A2G 10 -66.465 -73.959 -42.136 73 H8B A2G 10 H8B A2G 10 -66.777 -72.877 -40.778 74 H14 A2G 10 H14 A2G 10 -72.961 -76.091 -35.736 75 H15 A2G 10 H15 A2G 10 -74.918 -75.810 -36.548 76 H1 A2G 11 H1 A2G 11 -66.136 -80.527 -37.859 77 H2 A2G 11 H2 A2G 11 -66.411 -82.117 -36.006 78 HN2 A2G 11 HN2 A2G 11 -67.750 -79.532 -35.463 79 H3 A2G 11 H3 A2G 11 -65.511 -79.832 -34.230 80 HO3 A2G 11 HO3 A2G 11 -66.010 -82.560 -33.655 81 H4 A2G 11 H4 A2G 11 -63.494 -81.123 -33.842 82 HO4 A2G 11 HO4 A2G 11 -64.125 -83.190 -34.029 83 H5 A2G 11 H5 A2G 11 -63.415 -79.629 -35.784 84 H6 A2G 11 H6 A2G 11 -61.570 -80.629 -36.914 85 H8 A2G 11 H8 A2G 11 -70.017 -79.533 -35.920 86 H8A A2G 11 H8A A2G 11 -70.303 -80.508 -34.479 87 H8B A2G 11 H8B A2G 11 -70.856 -81.078 -36.054 88 H14 A2G 11 H14 A2G 11 -61.537 -81.317 -35.291 89 H15 A2G 11 H15 A2G 11 -62.573 -83.146 -36.086 90 H1 A2G 12 H1 A2G 12 -66.589 -80.449 -43.447 91 H2 A2G 12 H2 A2G 12 -64.547 -79.788 -44.643 92 HN2 A2G 12 HN2 A2G 12 -64.705 -78.658 -41.911 93 H3 A2G 12 H3 A2G 12 -65.272 -76.965 -43.813 94 HO3 A2G 12 HO3 A2G 12 -63.062 -78.223 -44.933 95 H4 A2G 12 H4 A2G 12 -65.678 -76.546 -46.172 96 HO4 A2G 12 HO4 A2G 12 -64.898 -79.253 -46.422 97 H5 A2G 12 H5 A2G 12 -67.594 -77.375 -44.880 98 H6 A2G 12 H6 A2G 12 -68.446 -77.093 -46.991 99 H8 A2G 12 H8 A2G 12 -63.492 -79.778 -40.362 100 H8A A2G 12 H8A A2G 12 -61.935 -79.230 -40.984 101 H8B A2G 12 H8B A2G 12 -62.287 -80.956 -40.884 102 H14 A2G 12 H14 A2G 12 -67.197 -78.089 -47.737 103 H15 A2G 12 H15 A2G 12 -69.288 -79.116 -46.127 Start of MODEL 20 1 H1 ACE 1 H1 ACE 1 -67.876 -68.752 -32.489 2 H2 ACE 1 H2 ACE 1 -67.922 -70.240 -31.543 3 H3 ACE 1 H3 ACE 1 -69.412 -69.572 -32.209 4 HA PRO 2 HA PRO 2 -66.975 -71.362 -35.942 5 HB2 PRO 2 HB2 PRO 2 -64.728 -72.889 -34.980 6 HB3 PRO 2 HB3 PRO 2 -64.712 -71.426 -35.976 7 HG2 PRO 2 HG2 PRO 2 -63.832 -71.601 -33.363 8 HG3 PRO 2 HG3 PRO 2 -64.252 -70.107 -34.213 9 HD2 PRO 2 HD2 PRO 2 -65.827 -71.624 -32.186 10 HD3 PRO 2 HD3 PRO 2 -65.810 -69.880 -32.532 11 H THR 3 H THR 3 -66.790 -73.579 -36.893 12 HA THR 3 HA THR 3 -67.588 -75.770 -35.122 13 HB THR 3 HB THR 3 -69.278 -75.969 -37.391 14 HG21 THR 3 HG21 THR 3 -69.915 -75.186 -34.531 15 HG22 THR 3 HG22 THR 3 -69.680 -76.841 -35.094 16 HG23 THR 3 HG23 THR 3 -71.040 -75.891 -35.694 17 H THR 4 H THR 4 -67.908 -77.822 -36.581 18 HA THR 4 HA THR 4 -65.982 -77.814 -38.807 19 HB THR 4 HB THR 4 -65.611 -80.246 -37.399 20 HG21 THR 4 HG21 THR 4 -63.903 -77.763 -37.726 21 HG22 THR 4 HG22 THR 4 -63.915 -79.179 -38.777 22 HG23 THR 4 HG23 THR 4 -63.299 -79.309 -37.129 23 H THR 5 H THR 5 -66.079 -79.891 -40.049 24 HA THR 5 HA THR 5 -68.608 -81.346 -39.802 25 HB THR 5 HB THR 5 -68.888 -81.004 -42.358 26 HG21 THR 5 HG21 THR 5 -70.172 -78.916 -41.966 27 HG22 THR 5 HG22 THR 5 -69.377 -78.740 -40.401 28 HG23 THR 5 HG23 THR 5 -70.453 -80.105 -40.695 29 HA PRO 6 HA PRO 6 -66.147 -84.693 -41.222 30 HB2 PRO 6 HB2 PRO 6 -68.295 -85.980 -42.649 31 HB3 PRO 6 HB3 PRO 6 -67.688 -86.339 -41.025 32 HG2 PRO 6 HG2 PRO 6 -70.161 -85.257 -41.614 33 HG3 PRO 6 HG3 PRO 6 -69.360 -85.202 -40.038 34 HD2 PRO 6 HD2 PRO 6 -69.620 -83.056 -42.092 35 HD3 PRO 6 HD3 PRO 6 -69.498 -82.921 -40.322 36 H LEU 7 H LEU 7 -64.653 -84.301 -42.769 37 HA LEU 7 HA LEU 7 -65.187 -83.208 -45.320 38 HB2 LEU 7 HB2 LEU 7 -62.776 -84.913 -44.954 39 HB3 LEU 7 HB3 LEU 7 -62.920 -83.295 -45.641 40 HG LEU 7 HG LEU 7 -63.588 -82.661 -43.153 41 HD11 LEU 7 HD11 LEU 7 -63.226 -85.300 -42.739 42 HD12 LEU 7 HD12 LEU 7 -62.902 -84.095 -41.493 43 HD13 LEU 7 HD13 LEU 7 -61.576 -84.743 -42.458 44 HD21 LEU 7 HD21 LEU 7 -61.199 -82.153 -42.730 45 HD22 LEU 7 HD22 LEU 7 -61.655 -81.764 -44.389 46 HD23 LEU 7 HD23 LEU 7 -60.743 -83.235 -44.045 47 H LYS 8 H LYS 8 -64.583 -84.342 -47.394 48 HA LYS 8 HA LYS 8 -65.316 -85.881 -48.956 49 HB2 LYS 8 HB2 LYS 8 -63.199 -86.858 -47.877 50 HB3 LYS 8 HB3 LYS 8 -64.291 -87.934 -47.003 51 HG2 LYS 8 HG2 LYS 8 -65.308 -88.446 -49.336 52 HG3 LYS 8 HG3 LYS 8 -63.822 -87.743 -49.974 53 HD2 LYS 8 HD2 LYS 8 -64.064 -90.119 -48.109 54 HD3 LYS 8 HD3 LYS 8 -63.475 -90.127 -49.773 55 HE2 LYS 8 HE2 LYS 8 -62.156 -88.925 -47.335 56 HE3 LYS 8 HE3 LYS 8 -61.511 -90.145 -48.434 57 HZ1 LYS 8 HZ1 LYS 8 -62.019 -88.118 -50.108 58 HZ2 LYS 8 HZ2 LYS 8 -60.510 -88.395 -49.376 59 HZ3 LYS 8 HZ3 LYS 8 -61.590 -87.266 -48.706 60 HN1 NH2 9 HN1 NH2 9 -67.602 -85.180 -47.632 61 HN2 NH2 9 HN2 NH2 9 -68.564 -86.576 -47.527 62 H1 A2G 10 H1 A2G 10 -71.062 -74.904 -37.833 63 H2 A2G 10 H2 A2G 10 -70.718 -73.600 -39.887 64 HN2 A2G 10 HN2 A2G 10 -68.234 -74.865 -38.892 65 H3 A2G 10 H3 A2G 10 -68.420 -72.312 -38.390 66 HO3 A2G 10 HO3 A2G 10 -68.158 -71.187 -40.263 67 H4 A2G 10 H4 A2G 10 -69.748 -70.277 -38.426 68 HO4 A2G 10 HO4 A2G 10 -71.814 -70.294 -39.290 69 H5 A2G 10 H5 A2G 10 -70.110 -71.766 -36.507 70 H6 A2G 10 H6 A2G 10 -72.867 -70.881 -37.337 71 H8 A2G 10 H8 A2G 10 -67.093 -75.918 -41.233 72 H8A A2G 10 H8A A2G 10 -68.358 -77.064 -41.675 73 H8B A2G 10 H8B A2G 10 -67.828 -76.938 -39.997 74 H14 A2G 10 H14 A2G 10 -72.106 -70.789 -35.748 75 H15 A2G 10 H15 A2G 10 -70.664 -69.230 -36.658 76 H1 A2G 11 H1 A2G 11 -64.523 -80.601 -35.609 77 H2 A2G 11 H2 A2G 11 -66.049 -81.409 -33.860 78 HN2 A2G 11 HN2 A2G 11 -67.496 -80.521 -36.287 79 H3 A2G 11 H3 A2G 11 -67.572 -78.833 -34.340 80 HO3 A2G 11 HO3 A2G 11 -68.004 -80.476 -32.156 81 H4 A2G 11 H4 A2G 11 -66.845 -78.164 -32.123 82 HO4 A2G 11 HO4 A2G 11 -65.009 -79.787 -31.417 83 H5 A2G 11 H5 A2G 11 -65.306 -77.581 -33.941 84 H6 A2G 11 H6 A2G 11 -63.368 -77.184 -32.628 85 H8 A2G 11 H8 A2G 11 -68.020 -82.257 -37.733 86 H8A A2G 11 H8A A2G 11 -69.319 -82.741 -36.643 87 H8B A2G 11 H8B A2G 11 -68.072 -83.901 -37.097 88 H14 A2G 11 H14 A2G 11 -64.679 -77.279 -31.452 89 H15 A2G 11 H15 A2G 11 -63.739 -79.730 -31.949 90 H1 A2G 12 H1 A2G 12 -66.817 -80.970 -43.309 91 H2 A2G 12 H2 A2G 12 -65.392 -79.549 -44.718 92 HN2 A2G 12 HN2 A2G 12 -65.099 -78.976 -41.828 93 H3 A2G 12 H3 A2G 12 -66.536 -77.238 -43.127 94 HO3 A2G 12 HO3 A2G 12 -64.975 -76.166 -44.006 95 H4 A2G 12 H4 A2G 12 -67.662 -76.579 -45.173 96 HO4 A2G 12 HO4 A2G 12 -67.440 -78.634 -46.740 97 H5 A2G 12 H5 A2G 12 -68.905 -78.152 -43.761 98 H6 A2G 12 H6 A2G 12 -69.550 -77.549 -46.279 99 H8 A2G 12 H8 A2G 12 -63.096 -79.102 -40.967 100 H8A A2G 12 H8A A2G 12 -61.717 -79.251 -42.056 101 H8B A2G 12 H8B A2G 12 -62.511 -80.698 -41.435 102 H14 A2G 12 H14 A2G 12 -69.316 -79.283 -46.502 103 H15 A2G 12 H15 A2G 12 -70.717 -78.728 -44.250 Start of MODEL 21 1 H1 ACE 1 H1 ACE 1 -64.003 -69.859 -32.369 2 H2 ACE 1 H2 ACE 1 -63.087 -71.356 -32.541 3 H3 ACE 1 H3 ACE 1 -64.212 -71.160 -31.197 4 HA PRO 2 HA PRO 2 -67.212 -71.095 -35.075 5 HB2 PRO 2 HB2 PRO 2 -65.615 -72.038 -37.278 6 HB3 PRO 2 HB3 PRO 2 -66.462 -70.492 -37.122 7 HG2 PRO 2 HG2 PRO 2 -63.634 -71.114 -36.735 8 HG3 PRO 2 HG3 PRO 2 -64.421 -69.554 -37.018 9 HD2 PRO 2 HD2 PRO 2 -63.327 -70.262 -34.608 10 HD3 PRO 2 HD3 PRO 2 -64.690 -69.129 -34.762 11 H THR 3 H THR 3 -67.985 -73.012 -36.489 12 HA THR 3 HA THR 3 -67.368 -75.474 -35.025 13 HB THR 3 HB THR 3 -69.397 -76.352 -36.176 14 HG21 THR 3 HG21 THR 3 -70.297 -73.732 -35.109 15 HG22 THR 3 HG22 THR 3 -69.271 -74.691 -34.042 16 HG23 THR 3 HG23 THR 3 -70.785 -75.363 -34.648 17 H THR 4 H THR 4 -67.981 -77.416 -36.819 18 HA THR 4 HA THR 4 -66.195 -77.026 -39.125 19 HB THR 4 HB THR 4 -65.356 -79.435 -38.563 20 HG21 THR 4 HG21 THR 4 -64.491 -77.047 -36.903 21 HG22 THR 4 HG22 THR 4 -63.954 -77.390 -38.546 22 HG23 THR 4 HG23 THR 4 -63.519 -78.481 -37.232 23 H THR 5 H THR 5 -66.735 -78.209 -40.930 24 HA THR 5 HA THR 5 -69.378 -79.471 -40.857 25 HB THR 5 HB THR 5 -68.856 -79.508 -43.443 26 HG21 THR 5 HG21 THR 5 -69.396 -76.891 -43.333 27 HG22 THR 5 HG22 THR 5 -69.676 -77.278 -41.635 28 HG23 THR 5 HG23 THR 5 -70.601 -78.101 -42.890 29 HA PRO 6 HA PRO 6 -68.217 -83.682 -40.977 30 HB2 PRO 6 HB2 PRO 6 -69.449 -84.280 -43.511 31 HB3 PRO 6 HB3 PRO 6 -70.056 -84.636 -41.887 32 HG2 PRO 6 HG2 PRO 6 -70.795 -82.489 -43.718 33 HG3 PRO 6 HG3 PRO 6 -71.656 -83.118 -42.306 34 HD2 PRO 6 HD2 PRO 6 -70.445 -80.658 -42.359 35 HD3 PRO 6 HD3 PRO 6 -70.679 -81.600 -40.869 36 H LEU 7 H LEU 7 -65.966 -83.340 -41.307 37 HA LEU 7 HA LEU 7 -64.780 -82.814 -43.824 38 HB2 LEU 7 HB2 LEU 7 -62.690 -83.467 -42.769 39 HB3 LEU 7 HB3 LEU 7 -63.635 -82.499 -41.637 40 HG LEU 7 HG LEU 7 -63.691 -85.527 -41.675 41 HD11 LEU 7 HD11 LEU 7 -62.311 -85.126 -39.492 42 HD12 LEU 7 HD12 LEU 7 -61.900 -83.581 -40.236 43 HD13 LEU 7 HD13 LEU 7 -61.472 -85.089 -41.044 44 HD21 LEU 7 HD21 LEU 7 -64.874 -83.345 -40.003 45 HD22 LEU 7 HD22 LEU 7 -64.394 -84.835 -39.193 46 HD23 LEU 7 HD23 LEU 7 -65.580 -84.883 -40.499 47 H LYS 8 H LYS 8 -66.788 -85.032 -43.725 48 HA LYS 8 HA LYS 8 -67.088 -86.947 -44.982 49 HB2 LYS 8 HB2 LYS 8 -64.988 -85.881 -46.236 50 HB3 LYS 8 HB3 LYS 8 -64.176 -87.274 -45.519 51 HG2 LYS 8 HG2 LYS 8 -65.876 -88.771 -46.502 52 HG3 LYS 8 HG3 LYS 8 -66.677 -87.379 -47.232 53 HD2 LYS 8 HD2 LYS 8 -63.758 -87.739 -47.760 54 HD3 LYS 8 HD3 LYS 8 -64.884 -88.814 -48.591 55 HE2 LYS 8 HE2 LYS 8 -65.969 -87.032 -49.687 56 HE3 LYS 8 HE3 LYS 8 -65.338 -85.834 -48.556 57 HZ1 LYS 8 HZ1 LYS 8 -63.422 -85.672 -49.672 58 HZ2 LYS 8 HZ2 LYS 8 -64.284 -86.353 -50.967 59 HZ3 LYS 8 HZ3 LYS 8 -63.320 -87.338 -49.974 60 HN1 NH2 9 HN1 NH2 9 -66.443 -89.609 -42.881 61 HN2 NH2 9 HN2 NH2 9 -67.614 -88.451 -43.295 62 H1 A2G 10 H1 A2G 10 -69.266 -76.197 -38.511 63 H2 A2G 10 H2 A2G 10 -70.750 -75.389 -40.296 64 HN2 A2G 10 HN2 A2G 10 -68.945 -73.231 -39.369 65 H3 A2G 10 H3 A2G 10 -71.309 -73.060 -38.439 66 HO3 A2G 10 HO3 A2G 10 -72.775 -72.532 -40.100 67 H4 A2G 10 H4 A2G 10 -73.558 -73.962 -38.246 68 HO4 A2G 10 HO4 A2G 10 -74.070 -75.070 -39.968 69 H5 A2G 10 H5 A2G 10 -71.915 -74.804 -36.627 70 H6 A2G 10 H6 A2G 10 -73.435 -77.252 -37.482 71 H8 A2G 10 H8 A2G 10 -67.574 -72.360 -40.948 72 H8A A2G 10 H8A A2G 10 -67.458 -73.139 -42.526 73 H8B A2G 10 H8B A2G 10 -66.632 -73.839 -41.134 74 H14 A2G 10 H14 A2G 10 -73.183 -76.613 -35.859 75 H15 A2G 10 H15 A2G 10 -75.313 -76.252 -36.667 76 H1 A2G 11 H1 A2G 11 -65.519 -81.052 -37.232 77 H2 A2G 11 H2 A2G 11 -65.918 -82.068 -35.047 78 HN2 A2G 11 HN2 A2G 11 -68.207 -80.340 -35.778 79 H3 A2G 11 H3 A2G 11 -66.649 -79.288 -34.092 80 HO3 A2G 11 HO3 A2G 11 -66.949 -81.838 -33.160 81 H4 A2G 11 H4 A2G 11 -64.604 -79.342 -32.789 82 HO4 A2G 11 HO4 A2G 11 -63.351 -81.090 -32.696 83 H5 A2G 11 H5 A2G 11 -64.401 -78.479 -35.083 84 H6 A2G 11 H6 A2G 11 -62.246 -78.236 -34.437 85 H8 A2G 11 H8 A2G 11 -69.910 -81.354 -36.796 86 H8A A2G 11 H8A A2G 11 -70.402 -82.424 -35.483 87 H8B A2G 11 H8B A2G 11 -69.875 -83.103 -37.023 88 H14 A2G 11 H14 A2G 11 -62.247 -79.798 -33.617 89 H15 A2G 11 H15 A2G 11 -60.822 -79.952 -35.295 90 H1 A2G 12 H1 A2G 12 -66.629 -80.008 -43.638 91 H2 A2G 12 H2 A2G 12 -64.555 -79.109 -44.602 92 HN2 A2G 12 HN2 A2G 12 -65.068 -78.135 -41.853 93 H3 A2G 12 H3 A2G 12 -65.606 -76.404 -43.727 94 HO3 A2G 12 HO3 A2G 12 -63.305 -76.804 -43.709 95 H4 A2G 12 H4 A2G 12 -65.841 -75.904 -46.093 96 HO4 A2G 12 HO4 A2G 12 -64.334 -78.148 -46.294 97 H5 A2G 12 H5 A2G 12 -67.778 -76.963 -45.019 98 H6 A2G 12 H6 A2G 12 -67.435 -76.698 -47.672 99 H8 A2G 12 H8 A2G 12 -63.008 -78.146 -40.552 100 H8A A2G 12 H8A A2G 12 -61.922 -79.495 -40.885 101 H8B A2G 12 H8B A2G 12 -63.553 -79.803 -40.291 102 H14 A2G 12 H14 A2G 12 -67.632 -78.449 -47.603 103 H15 A2G 12 H15 A2G 12 -69.667 -77.807 -47.682 Start of MODEL 22 1 H1 ACE 1 H1 ACE 1 -67.747 -68.526 -33.655 2 H2 ACE 1 H2 ACE 1 -67.264 -69.768 -32.500 3 H3 ACE 1 H3 ACE 1 -68.961 -69.590 -32.945 4 HA PRO 2 HA PRO 2 -66.925 -70.982 -37.182 5 HB2 PRO 2 HB2 PRO 2 -64.294 -71.920 -36.482 6 HB3 PRO 2 HB3 PRO 2 -64.731 -70.618 -37.599 7 HG2 PRO 2 HG2 PRO 2 -63.797 -70.465 -34.837 8 HG3 PRO 2 HG3 PRO 2 -63.817 -69.220 -36.093 9 HD2 PRO 2 HD2 PRO 2 -65.481 -69.178 -33.917 10 HD3 PRO 2 HD3 PRO 2 -65.909 -68.450 -35.483 11 H THR 3 H THR 3 -68.034 -72.845 -37.366 12 HA THR 3 HA THR 3 -67.587 -75.014 -35.449 13 HB THR 3 HB THR 3 -69.578 -76.037 -36.542 14 HG21 THR 3 HG21 THR 3 -69.536 -74.058 -34.725 15 HG22 THR 3 HG22 THR 3 -71.043 -74.722 -35.354 16 HG23 THR 3 HG23 THR 3 -70.396 -73.221 -36.017 17 H THR 4 H THR 4 -67.004 -77.110 -36.067 18 HA THR 4 HA THR 4 -65.517 -77.237 -38.605 19 HB THR 4 HB THR 4 -64.398 -79.205 -37.574 20 HG21 THR 4 HG21 THR 4 -62.919 -77.708 -36.778 21 HG22 THR 4 HG22 THR 4 -63.944 -77.418 -35.374 22 HG23 THR 4 HG23 THR 4 -64.171 -76.467 -36.841 23 H THR 5 H THR 5 -65.886 -78.825 -40.114 24 HA THR 5 HA THR 5 -68.471 -80.188 -39.907 25 HB THR 5 HB THR 5 -67.502 -80.804 -42.391 26 HG21 THR 5 HG21 THR 5 -69.702 -79.795 -41.797 27 HG22 THR 5 HG22 THR 5 -68.956 -79.007 -43.187 28 HG23 THR 5 HG23 THR 5 -68.905 -78.234 -41.602 29 HA PRO 6 HA PRO 6 -66.763 -84.193 -39.347 30 HB2 PRO 6 HB2 PRO 6 -68.497 -85.516 -41.232 31 HB3 PRO 6 HB3 PRO 6 -68.671 -85.406 -39.474 32 HG2 PRO 6 HG2 PRO 6 -70.321 -84.196 -41.329 33 HG3 PRO 6 HG3 PRO 6 -70.185 -83.750 -39.622 34 HD2 PRO 6 HD2 PRO 6 -69.033 -82.400 -42.018 35 HD3 PRO 6 HD3 PRO 6 -69.545 -81.704 -40.463 36 H LEU 7 H LEU 7 -65.627 -82.558 -41.613 37 HA LEU 7 HA LEU 7 -64.622 -82.937 -43.740 38 HB2 LEU 7 HB2 LEU 7 -62.969 -82.960 -41.840 39 HB3 LEU 7 HB3 LEU 7 -63.065 -84.721 -41.858 40 HG LEU 7 HG LEU 7 -62.410 -84.682 -44.275 41 HD11 LEU 7 HD11 LEU 7 -62.816 -82.653 -45.241 42 HD12 LEU 7 HD12 LEU 7 -61.187 -82.284 -44.675 43 HD13 LEU 7 HD13 LEU 7 -62.586 -81.774 -43.729 44 HD21 LEU 7 HD21 LEU 7 -60.021 -83.974 -43.828 45 HD22 LEU 7 HD22 LEU 7 -60.679 -85.099 -42.640 46 HD23 LEU 7 HD23 LEU 7 -60.558 -83.383 -42.255 47 H LYS 8 H LYS 8 -66.348 -84.137 -44.799 48 HA LYS 8 HA LYS 8 -66.326 -87.024 -44.695 49 HB2 LYS 8 HB2 LYS 8 -68.175 -86.942 -46.132 50 HB3 LYS 8 HB3 LYS 8 -68.335 -85.459 -45.189 51 HG2 LYS 8 HG2 LYS 8 -66.929 -84.368 -47.089 52 HG3 LYS 8 HG3 LYS 8 -67.388 -85.789 -48.030 53 HD2 LYS 8 HD2 LYS 8 -69.766 -85.312 -47.619 54 HD3 LYS 8 HD3 LYS 8 -69.324 -83.907 -46.649 55 HE2 LYS 8 HE2 LYS 8 -69.090 -82.634 -48.491 56 HE3 LYS 8 HE3 LYS 8 -67.996 -83.811 -49.219 57 HZ1 LYS 8 HZ1 LYS 8 -69.637 -84.721 -50.418 58 HZ2 LYS 8 HZ2 LYS 8 -70.440 -83.247 -50.150 59 HZ3 LYS 8 HZ3 LYS 8 -70.779 -84.593 -49.171 60 HN1 NH2 9 HN1 NH2 9 -65.771 -88.400 -46.651 61 HN2 NH2 9 HN2 NH2 9 -64.293 -87.923 -47.336 62 H1 A2G 10 H1 A2G 10 -69.442 -76.375 -38.798 63 H2 A2G 10 H2 A2G 10 -70.727 -75.828 -40.821 64 HN2 A2G 10 HN2 A2G 10 -68.741 -73.708 -40.250 65 H3 A2G 10 H3 A2G 10 -71.102 -73.105 -39.544 66 HO3 A2G 10 HO3 A2G 10 -72.595 -73.906 -41.706 67 H4 A2G 10 H4 A2G 10 -73.448 -73.702 -39.337 68 HO4 A2G 10 HO4 A2G 10 -73.054 -75.295 -41.218 69 H5 A2G 10 H5 A2G 10 -72.005 -74.340 -37.457 70 H6 A2G 10 H6 A2G 10 -73.614 -76.812 -37.677 71 H8 A2G 10 H8 A2G 10 -67.451 -73.583 -42.892 72 H8A A2G 10 H8A A2G 10 -66.603 -75.110 -42.647 73 H8B A2G 10 H8B A2G 10 -66.737 -73.953 -41.322 74 H14 A2G 10 H14 A2G 10 -73.643 -75.560 -36.435 75 H15 A2G 10 H15 A2G 10 -74.822 -74.255 -37.861 76 H1 A2G 11 H1 A2G 11 -65.848 -80.762 -37.019 77 H2 A2G 11 H2 A2G 11 -66.730 -82.110 -35.163 78 HN2 A2G 11 HN2 A2G 11 -68.042 -79.466 -35.398 79 H3 A2G 11 H3 A2G 11 -66.285 -79.630 -33.479 80 HO3 A2G 11 HO3 A2G 11 -66.978 -82.234 -32.650 81 H4 A2G 11 H4 A2G 11 -64.547 -80.902 -32.352 82 HO4 A2G 11 HO4 A2G 11 -65.394 -82.963 -32.609 83 H5 A2G 11 H5 A2G 11 -63.842 -79.634 -34.332 84 H6 A2G 11 H6 A2G 11 -61.785 -80.787 -34.766 85 H8 A2G 11 H8 A2G 11 -70.077 -79.607 -36.603 86 H8A A2G 11 H8A A2G 11 -70.773 -80.124 -35.066 87 H8B A2G 11 H8B A2G 11 -70.972 -81.123 -36.506 88 H14 A2G 11 H14 A2G 11 -62.242 -81.217 -33.118 89 H15 A2G 11 H15 A2G 11 -63.433 -82.942 -34.679 90 H1 A2G 12 H1 A2G 12 -65.498 -80.626 -42.971 91 H2 A2G 12 H2 A2G 12 -63.659 -79.263 -43.864 92 HN2 A2G 12 HN2 A2G 12 -64.200 -78.743 -41.000 93 H3 A2G 12 H3 A2G 12 -65.110 -76.914 -42.615 94 HO3 A2G 12 HO3 A2G 12 -62.660 -77.167 -42.941 95 H4 A2G 12 H4 A2G 12 -65.559 -76.174 -44.880 96 HO4 A2G 12 HO4 A2G 12 -63.785 -78.212 -45.442 97 H5 A2G 12 H5 A2G 12 -67.231 -77.696 -43.933 98 H6 A2G 12 H6 A2G 12 -67.917 -77.132 -46.089 99 H8 A2G 12 H8 A2G 12 -62.560 -79.018 -39.587 100 H8A A2G 12 H8A A2G 12 -60.926 -79.207 -40.223 101 H8B A2G 12 H8B A2G 12 -61.929 -80.628 -39.932 102 H14 A2G 12 H14 A2G 12 -66.526 -77.910 -46.844 103 H15 A2G 12 H15 A2G 12 -67.600 -79.696 -46.937 Start of MODEL 23 1 H1 ACE 1 H1 ACE 1 -67.759 -71.350 -30.750 2 H2 ACE 1 H2 ACE 1 -66.759 -70.135 -31.547 3 H3 ACE 1 H3 ACE 1 -66.068 -71.699 -31.112 4 HA PRO 2 HA PRO 2 -67.723 -71.303 -35.652 5 HB2 PRO 2 HB2 PRO 2 -65.198 -72.472 -36.399 6 HB3 PRO 2 HB3 PRO 2 -65.823 -70.866 -36.803 7 HG2 PRO 2 HG2 PRO 2 -63.898 -71.654 -34.752 8 HG3 PRO 2 HG3 PRO 2 -64.205 -70.062 -35.463 9 HD2 PRO 2 HD2 PRO 2 -64.890 -70.709 -32.891 10 HD3 PRO 2 HD3 PRO 2 -65.765 -69.497 -33.856 11 H THR 3 H THR 3 -68.387 -73.094 -36.888 12 HA THR 3 HA THR 3 -68.334 -75.645 -35.445 13 HB THR 3 HB THR 3 -69.884 -75.838 -37.813 14 HG21 THR 3 HG21 THR 3 -71.742 -75.981 -36.176 15 HG22 THR 3 HG22 THR 3 -70.659 -75.391 -34.915 16 HG23 THR 3 HG23 THR 3 -70.358 -76.953 -35.677 17 H THR 4 H THR 4 -68.162 -77.649 -36.813 18 HA THR 4 HA THR 4 -66.341 -77.322 -39.104 19 HB THR 4 HB THR 4 -64.904 -79.146 -38.204 20 HG21 THR 4 HG21 THR 4 -64.438 -76.673 -37.831 21 HG22 THR 4 HG22 THR 4 -63.695 -77.761 -36.657 22 HG23 THR 4 HG23 THR 4 -65.152 -76.865 -36.229 23 H THR 5 H THR 5 -66.566 -78.853 -40.685 24 HA THR 5 HA THR 5 -68.887 -80.623 -40.428 25 HB THR 5 HB THR 5 -67.998 -80.936 -42.995 26 HG21 THR 5 HG21 THR 5 -69.741 -79.299 -43.583 27 HG22 THR 5 HG22 THR 5 -69.742 -78.698 -41.926 28 HG23 THR 5 HG23 THR 5 -70.285 -80.341 -42.268 29 HA PRO 6 HA PRO 6 -66.540 -84.324 -40.223 30 HB2 PRO 6 HB2 PRO 6 -68.154 -85.802 -42.100 31 HB3 PRO 6 HB3 PRO 6 -68.235 -85.820 -40.332 32 HG2 PRO 6 HG2 PRO 6 -70.165 -84.790 -42.018 33 HG3 PRO 6 HG3 PRO 6 -69.998 -84.423 -40.295 34 HD2 PRO 6 HD2 PRO 6 -69.218 -82.775 -42.655 35 HD3 PRO 6 HD3 PRO 6 -69.741 -82.258 -41.036 36 H LEU 7 H LEU 7 -64.548 -83.986 -41.179 37 HA LEU 7 HA LEU 7 -64.088 -83.697 -43.951 38 HB2 LEU 7 HB2 LEU 7 -62.386 -84.305 -41.568 39 HB3 LEU 7 HB3 LEU 7 -61.706 -84.536 -43.179 40 HG LEU 7 HG LEU 7 -63.177 -81.992 -42.644 41 HD11 LEU 7 HD11 LEU 7 -60.944 -81.038 -41.836 42 HD12 LEU 7 HD12 LEU 7 -60.449 -82.707 -41.550 43 HD13 LEU 7 HD13 LEU 7 -61.824 -82.034 -40.676 44 HD21 LEU 7 HD21 LEU 7 -62.254 -82.541 -44.876 45 HD22 LEU 7 HD22 LEU 7 -60.647 -82.699 -44.168 46 HD23 LEU 7 HD23 LEU 7 -61.454 -81.131 -44.184 47 H LYS 8 H LYS 8 -64.690 -85.208 -45.381 48 HA LYS 8 HA LYS 8 -64.668 -88.024 -44.740 49 HB2 LYS 8 HB2 LYS 8 -65.184 -86.598 -47.361 50 HB3 LYS 8 HB3 LYS 8 -65.471 -88.311 -47.052 51 HG2 LYS 8 HG2 LYS 8 -67.166 -87.828 -45.430 52 HG3 LYS 8 HG3 LYS 8 -66.739 -86.117 -45.398 53 HD2 LYS 8 HD2 LYS 8 -68.773 -86.488 -46.745 54 HD3 LYS 8 HD3 LYS 8 -67.451 -85.892 -47.752 55 HE2 LYS 8 HE2 LYS 8 -67.113 -87.965 -48.770 56 HE3 LYS 8 HE3 LYS 8 -67.845 -88.852 -47.434 57 HZ1 LYS 8 HZ1 LYS 8 -69.675 -88.886 -48.668 58 HZ2 LYS 8 HZ2 LYS 8 -69.072 -87.734 -49.761 59 HZ3 LYS 8 HZ3 LYS 8 -69.842 -87.232 -48.332 60 HN1 NH2 9 HN1 NH2 9 -62.278 -88.473 -47.723 61 HN2 NH2 9 HN2 NH2 9 -63.575 -89.324 -47.034 62 H1 A2G 10 H1 A2G 10 -71.629 -74.910 -38.405 63 H2 A2G 10 H2 A2G 10 -71.282 -73.301 -40.232 64 HN2 A2G 10 HN2 A2G 10 -68.750 -74.351 -39.113 65 H3 A2G 10 H3 A2G 10 -69.349 -71.939 -38.336 66 HO3 A2G 10 HO3 A2G 10 -68.701 -71.015 -40.083 67 H4 A2G 10 H4 A2G 10 -70.949 -70.116 -38.251 68 HO4 A2G 10 HO4 A2G 10 -72.709 -71.718 -39.770 69 H5 A2G 10 H5 A2G 10 -71.307 -71.889 -36.596 70 H6 A2G 10 H6 A2G 10 -74.055 -71.272 -37.662 71 H8 A2G 10 H8 A2G 10 -67.253 -74.906 -41.469 72 H8A A2G 10 H8A A2G 10 -68.292 -76.179 -42.108 73 H8B A2G 10 H8B A2G 10 -67.902 -76.140 -40.389 74 H14 A2G 10 H14 A2G 10 -73.497 -71.303 -35.988 75 H15 A2G 10 H15 A2G 10 -73.013 -69.368 -37.983 76 H1 A2G 11 H1 A2G 11 -66.135 -80.931 -37.632 77 H2 A2G 11 H2 A2G 11 -66.632 -82.450 -35.782 78 HN2 A2G 11 HN2 A2G 11 -68.335 -80.038 -35.584 79 H3 A2G 11 H3 A2G 11 -66.383 -80.024 -33.984 80 HO3 A2G 11 HO3 A2G 11 -67.145 -82.698 -33.689 81 H4 A2G 11 H4 A2G 11 -64.355 -81.039 -33.126 82 HO4 A2G 11 HO4 A2G 11 -64.909 -83.068 -35.027 83 H5 A2G 11 H5 A2G 11 -64.072 -79.591 -35.090 84 H6 A2G 11 H6 A2G 11 -61.980 -80.678 -36.029 85 H8 A2G 11 H8 A2G 11 -70.375 -80.176 -36.385 86 H8A A2G 11 H8A A2G 11 -71.047 -81.558 -35.518 87 H8B A2G 11 H8B A2G 11 -70.852 -81.625 -37.269 88 H14 A2G 11 H14 A2G 11 -62.028 -80.582 -34.269 89 H15 A2G 11 H15 A2G 11 -62.623 -82.719 -34.180 90 H1 A2G 12 H1 A2G 12 -65.997 -80.451 -43.491 91 H2 A2G 12 H2 A2G 12 -64.397 -78.799 -44.357 92 HN2 A2G 12 HN2 A2G 12 -65.031 -78.231 -41.522 93 H3 A2G 12 H3 A2G 12 -66.260 -76.733 -43.155 94 HO3 A2G 12 HO3 A2G 12 -64.309 -76.001 -44.926 95 H4 A2G 12 H4 A2G 12 -66.754 -76.080 -45.443 96 HO4 A2G 12 HO4 A2G 12 -64.562 -77.554 -45.921 97 H5 A2G 12 H5 A2G 12 -68.170 -77.849 -44.498 98 H6 A2G 12 H6 A2G 12 -67.953 -77.230 -47.150 99 H8 A2G 12 H8 A2G 12 -63.295 -78.290 -40.106 100 H8A A2G 12 H8A A2G 12 -61.716 -78.823 -40.681 101 H8B A2G 12 H8B A2G 12 -62.948 -80.012 -40.258 102 H14 A2G 12 H14 A2G 12 -67.720 -78.977 -47.197 103 H15 A2G 12 H15 A2G 12 -69.753 -78.060 -45.565 Start of MODEL 24 1 H1 ACE 1 H1 ACE 1 -67.809 -69.038 -32.705 2 H2 ACE 1 H2 ACE 1 -67.572 -70.472 -31.706 3 H3 ACE 1 H3 ACE 1 -69.203 -69.940 -32.114 4 HA PRO 2 HA PRO 2 -67.406 -71.174 -36.503 5 HB2 PRO 2 HB2 PRO 2 -64.985 -72.632 -35.947 6 HB3 PRO 2 HB3 PRO 2 -65.178 -71.155 -36.901 7 HG2 PRO 2 HG2 PRO 2 -64.255 -71.486 -34.150 8 HG3 PRO 2 HG3 PRO 2 -64.048 -70.119 -35.256 9 HD2 PRO 2 HD2 PRO 2 -65.696 -70.039 -33.069 10 HD3 PRO 2 HD3 PRO 2 -65.977 -69.073 -34.536 11 H THR 3 H THR 3 -67.226 -73.400 -37.497 12 HA THR 3 HA THR 3 -67.718 -75.612 -35.642 13 HB THR 3 HB THR 3 -69.664 -75.891 -37.681 14 HG21 THR 3 HG21 THR 3 -71.207 -75.853 -35.782 15 HG22 THR 3 HG22 THR 3 -69.978 -75.092 -34.772 16 HG23 THR 3 HG23 THR 3 -69.751 -76.745 -35.343 17 H THR 4 H THR 4 -66.945 -77.515 -36.386 18 HA THR 4 HA THR 4 -65.738 -77.504 -39.072 19 HB THR 4 HB THR 4 -64.433 -79.452 -38.225 20 HG21 THR 4 HG21 THR 4 -63.004 -78.170 -36.746 21 HG22 THR 4 HG22 THR 4 -64.327 -77.072 -36.351 22 HG23 THR 4 HG23 THR 4 -63.639 -77.076 -37.975 23 H THR 5 H THR 5 -66.227 -79.038 -40.593 24 HA THR 5 HA THR 5 -68.691 -80.553 -40.130 25 HB THR 5 HB THR 5 -68.107 -81.020 -42.726 26 HG21 THR 5 HG21 THR 5 -70.171 -79.994 -41.848 27 HG22 THR 5 HG22 THR 5 -69.563 -79.091 -43.236 28 HG23 THR 5 HG23 THR 5 -69.312 -78.474 -41.603 29 HA PRO 6 HA PRO 6 -66.711 -84.466 -39.962 30 HB2 PRO 6 HB2 PRO 6 -68.630 -85.823 -41.631 31 HB3 PRO 6 HB3 PRO 6 -68.553 -85.779 -39.863 32 HG2 PRO 6 HG2 PRO 6 -70.514 -84.604 -41.414 33 HG3 PRO 6 HG3 PRO 6 -70.155 -84.206 -39.728 34 HD2 PRO 6 HD2 PRO 6 -69.431 -82.718 -42.209 35 HD3 PRO 6 HD3 PRO 6 -69.748 -82.102 -40.571 36 H LEU 7 H LEU 7 -65.526 -82.887 -41.948 37 HA LEU 7 HA LEU 7 -64.704 -82.958 -44.179 38 HB2 LEU 7 HB2 LEU 7 -63.489 -85.053 -42.410 39 HB3 LEU 7 HB3 LEU 7 -62.948 -84.903 -44.084 40 HG LEU 7 HG LEU 7 -63.172 -82.386 -42.505 41 HD11 LEU 7 HD11 LEU 7 -62.100 -83.876 -40.887 42 HD12 LEU 7 HD12 LEU 7 -60.903 -82.762 -41.547 43 HD13 LEU 7 HD13 LEU 7 -60.963 -84.430 -42.117 44 HD21 LEU 7 HD21 LEU 7 -61.116 -83.489 -44.447 45 HD22 LEU 7 HD22 LEU 7 -61.171 -81.837 -43.833 46 HD23 LEU 7 HD23 LEU 7 -62.460 -82.431 -44.880 47 H LYS 8 H LYS 8 -66.401 -83.462 -45.579 48 HA LYS 8 HA LYS 8 -67.800 -84.812 -46.860 49 HB2 LYS 8 HB2 LYS 8 -66.473 -86.276 -48.351 50 HB3 LYS 8 HB3 LYS 8 -65.744 -84.680 -48.174 51 HG2 LYS 8 HG2 LYS 8 -64.118 -85.509 -46.603 52 HG3 LYS 8 HG3 LYS 8 -64.940 -87.066 -46.492 53 HD2 LYS 8 HD2 LYS 8 -64.495 -87.398 -48.947 54 HD3 LYS 8 HD3 LYS 8 -63.515 -85.931 -48.913 55 HE2 LYS 8 HE2 LYS 8 -63.004 -88.569 -47.556 56 HE3 LYS 8 HE3 LYS 8 -61.919 -87.618 -48.571 57 HZ1 LYS 8 HZ1 LYS 8 -62.883 -86.780 -45.890 58 HZ2 LYS 8 HZ2 LYS 8 -61.737 -85.977 -46.855 59 HZ3 LYS 8 HZ3 LYS 8 -61.375 -87.497 -46.188 60 HN1 NH2 9 HN1 NH2 9 -67.476 -87.214 -43.932 61 HN2 NH2 9 HN2 NH2 9 -68.521 -85.954 -44.381 62 H1 A2G 10 H1 A2G 10 -71.506 -74.936 -37.899 63 H2 A2G 10 H2 A2G 10 -71.859 -73.314 -39.711 64 HN2 A2G 10 HN2 A2G 10 -69.017 -74.136 -39.588 65 H3 A2G 10 H3 A2G 10 -69.466 -71.865 -38.544 66 HO3 A2G 10 HO3 A2G 10 -70.789 -71.826 -40.920 67 H4 A2G 10 H4 A2G 10 -71.031 -70.113 -37.922 68 HO4 A2G 10 HO4 A2G 10 -72.486 -70.730 -39.720 69 H5 A2G 10 H5 A2G 10 -70.707 -71.900 -36.271 70 H6 A2G 10 H6 A2G 10 -73.652 -71.602 -36.111 71 H8 A2G 10 H8 A2G 10 -68.508 -74.905 -42.228 72 H8A A2G 10 H8A A2G 10 -69.611 -76.274 -42.361 73 H8B A2G 10 H8B A2G 10 -68.612 -76.083 -40.920 74 H14 A2G 10 H14 A2G 10 -72.413 -71.180 -34.928 75 H15 A2G 10 H15 A2G 10 -73.695 -69.557 -36.520 76 H1 A2G 11 H1 A2G 11 -65.787 -81.080 -37.532 77 H2 A2G 11 H2 A2G 11 -66.309 -82.502 -35.595 78 HN2 A2G 11 HN2 A2G 11 -67.776 -79.937 -35.414 79 H3 A2G 11 H3 A2G 11 -65.718 -80.033 -33.940 80 HO3 A2G 11 HO3 A2G 11 -66.060 -82.640 -32.978 81 H4 A2G 11 H4 A2G 11 -63.772 -81.241 -33.127 82 HO4 A2G 11 HO4 A2G 11 -63.954 -83.239 -35.014 83 H5 A2G 11 H5 A2G 11 -63.439 -79.907 -35.161 84 H6 A2G 11 H6 A2G 11 -61.431 -80.964 -35.948 85 H8 A2G 11 H8 A2G 11 -69.922 -80.136 -36.684 86 H8A A2G 11 H8A A2G 11 -70.329 -80.644 -35.045 87 H8B A2G 11 H8B A2G 11 -70.731 -81.680 -36.414 88 H14 A2G 11 H14 A2G 11 -61.597 -81.419 -34.253 89 H15 A2G 11 H15 A2G 11 -61.262 -83.312 -35.220 90 H1 A2G 12 H1 A2G 12 -65.946 -80.942 -43.158 91 H2 A2G 12 H2 A2G 12 -64.177 -79.656 -44.271 92 HN2 A2G 12 HN2 A2G 12 -64.739 -78.704 -41.525 93 H3 A2G 12 H3 A2G 12 -65.731 -77.202 -43.405 94 HO3 A2G 12 HO3 A2G 12 -63.199 -77.659 -44.115 95 H4 A2G 12 H4 A2G 12 -66.223 -76.860 -45.755 96 HO4 A2G 12 HO4 A2G 12 -65.205 -79.360 -46.441 97 H5 A2G 12 H5 A2G 12 -67.818 -78.281 -44.548 98 H6 A2G 12 H6 A2G 12 -67.845 -77.984 -47.144 99 H8 A2G 12 H8 A2G 12 -63.147 -78.762 -40.069 100 H8A A2G 12 H8A A2G 12 -61.512 -78.692 -40.729 101 H8B A2G 12 H8B A2G 12 -62.199 -80.240 -40.237 102 H14 A2G 12 H14 A2G 12 -67.348 -79.676 -47.178 103 H15 A2G 12 H15 A2G 12 -69.764 -78.556 -46.525 Start of MODEL 25 1 H1 ACE 1 H1 ACE 1 -67.845 -70.216 -31.105 2 H2 ACE 1 H2 ACE 1 -66.988 -68.952 -31.989 3 H3 ACE 1 H3 ACE 1 -66.096 -70.314 -31.312 4 HA PRO 2 HA PRO 2 -67.418 -70.742 -35.960 5 HB2 PRO 2 HB2 PRO 2 -64.683 -71.534 -36.397 6 HB3 PRO 2 HB3 PRO 2 -65.529 -70.119 -37.040 7 HG2 PRO 2 HG2 PRO 2 -63.674 -70.314 -34.794 8 HG3 PRO 2 HG3 PRO 2 -64.179 -68.895 -35.723 9 HD2 PRO 2 HD2 PRO 2 -64.954 -69.345 -33.133 10 HD3 PRO 2 HD3 PRO 2 -65.935 -68.424 -34.296 11 H THR 3 H THR 3 -68.150 -72.701 -36.583 12 HA THR 3 HA THR 3 -67.339 -75.052 -35.035 13 HB THR 3 HB THR 3 -69.291 -76.129 -36.149 14 HG21 THR 3 HG21 THR 3 -70.793 -75.169 -34.692 15 HG22 THR 3 HG22 THR 3 -70.345 -73.526 -35.150 16 HG23 THR 3 HG23 THR 3 -69.314 -74.448 -34.057 17 H THR 4 H THR 4 -67.763 -77.107 -36.727 18 HA THR 4 HA THR 4 -66.044 -76.659 -39.073 19 HB THR 4 HB THR 4 -64.764 -78.720 -38.518 20 HG21 THR 4 HG21 THR 4 -64.731 -76.581 -36.369 21 HG22 THR 4 HG22 THR 4 -63.865 -76.507 -37.903 22 HG23 THR 4 HG23 THR 4 -63.426 -77.719 -36.699 23 H THR 5 H THR 5 -66.214 -78.330 -40.686 24 HA THR 5 HA THR 5 -68.878 -79.546 -40.706 25 HB THR 5 HB THR 5 -67.777 -80.128 -43.143 26 HG21 THR 5 HG21 THR 5 -69.953 -79.024 -42.682 27 HG22 THR 5 HG22 THR 5 -69.056 -78.198 -43.957 28 HG23 THR 5 HG23 THR 5 -69.098 -77.522 -42.329 29 HA PRO 6 HA PRO 6 -67.438 -83.661 -40.193 30 HB2 PRO 6 HB2 PRO 6 -69.114 -84.813 -42.235 31 HB3 PRO 6 HB3 PRO 6 -69.397 -84.755 -40.489 32 HG2 PRO 6 HG2 PRO 6 -70.851 -83.387 -42.398 33 HG3 PRO 6 HG3 PRO 6 -70.802 -83.007 -40.670 34 HD2 PRO 6 HD2 PRO 6 -69.417 -81.649 -42.935 35 HD3 PRO 6 HD3 PRO 6 -69.994 -80.975 -41.394 36 H LEU 7 H LEU 7 -65.344 -83.893 -40.888 37 HA LEU 7 HA LEU 7 -64.478 -83.740 -43.574 38 HB2 LEU 7 HB2 LEU 7 -63.244 -83.914 -41.118 39 HB3 LEU 7 HB3 LEU 7 -62.872 -85.478 -41.846 40 HG LEU 7 HG LEU 7 -62.224 -84.156 -43.953 41 HD11 LEU 7 HD11 LEU 7 -62.225 -81.889 -43.918 42 HD12 LEU 7 HD12 LEU 7 -61.543 -81.831 -42.293 43 HD13 LEU 7 HD13 LEU 7 -63.279 -82.045 -42.513 44 HD21 LEU 7 HD21 LEU 7 -60.602 -85.216 -42.379 45 HD22 LEU 7 HD22 LEU 7 -60.586 -83.729 -41.432 46 HD23 LEU 7 HD23 LEU 7 -59.973 -83.727 -43.085 47 H LYS 8 H LYS 8 -64.695 -85.137 -45.196 48 HA LYS 8 HA LYS 8 -65.889 -87.730 -44.749 49 HB2 LYS 8 HB2 LYS 8 -65.004 -86.215 -47.199 50 HB3 LYS 8 HB3 LYS 8 -65.547 -87.891 -47.292 51 HG2 LYS 8 HG2 LYS 8 -67.283 -86.060 -45.733 52 HG3 LYS 8 HG3 LYS 8 -67.232 -85.773 -47.472 53 HD2 LYS 8 HD2 LYS 8 -68.023 -87.940 -47.975 54 HD3 LYS 8 HD3 LYS 8 -67.629 -88.551 -46.367 55 HE2 LYS 8 HE2 LYS 8 -69.539 -86.282 -46.458 56 HE3 LYS 8 HE3 LYS 8 -70.134 -87.816 -47.092 57 HZ1 LYS 8 HZ1 LYS 8 -70.323 -87.286 -44.573 58 HZ2 LYS 8 HZ2 LYS 8 -68.698 -87.779 -44.531 59 HZ3 LYS 8 HZ3 LYS 8 -69.898 -88.848 -45.078 60 HN1 NH2 9 HN1 NH2 9 -63.657 -90.048 -45.370 61 HN2 NH2 9 HN2 NH2 9 -64.185 -89.345 -46.822 62 H1 A2G 10 H1 A2G 10 -69.381 -76.157 -38.407 63 H2 A2G 10 H2 A2G 10 -70.857 -75.443 -40.237 64 HN2 A2G 10 HN2 A2G 10 -68.932 -73.311 -39.515 65 H3 A2G 10 H3 A2G 10 -71.285 -72.939 -38.584 66 HO3 A2G 10 HO3 A2G 10 -71.580 -72.325 -40.599 67 H4 A2G 10 H4 A2G 10 -73.567 -73.718 -38.288 68 HO4 A2G 10 HO4 A2G 10 -72.698 -75.632 -40.112 69 H5 A2G 10 H5 A2G 10 -71.940 -74.493 -36.620 70 H6 A2G 10 H6 A2G 10 -73.480 -76.991 -37.138 71 H8 A2G 10 H8 A2G 10 -67.905 -72.642 -42.139 72 H8A A2G 10 H8A A2G 10 -67.030 -74.156 -42.357 73 H8B A2G 10 H8B A2G 10 -66.999 -73.339 -40.796 74 H14 A2G 10 H14 A2G 10 -73.353 -76.038 -35.660 75 H15 A2G 10 H15 A2G 10 -75.339 -75.579 -36.348 76 H1 A2G 11 H1 A2G 11 -66.094 -80.424 -38.147 77 H2 A2G 11 H2 A2G 11 -66.773 -82.127 -36.512 78 HN2 A2G 11 HN2 A2G 11 -68.190 -79.552 -36.157 79 H3 A2G 11 H3 A2G 11 -66.276 -79.977 -34.435 80 HO3 A2G 11 HO3 A2G 11 -66.507 -82.218 -33.274 81 H4 A2G 11 H4 A2G 11 -64.408 -81.346 -33.697 82 HO4 A2G 11 HO4 A2G 11 -65.665 -83.235 -34.927 83 H5 A2G 11 H5 A2G 11 -63.913 -79.706 -35.456 84 H6 A2G 11 H6 A2G 11 -61.876 -80.700 -36.311 85 H8 A2G 11 H8 A2G 11 -70.318 -79.569 -37.185 86 H8A A2G 11 H8A A2G 11 -70.859 -80.408 -35.731 87 H8B A2G 11 H8B A2G 11 -71.146 -81.121 -37.318 88 H14 A2G 11 H14 A2G 11 -62.137 -81.331 -34.686 89 H15 A2G 11 H15 A2G 11 -62.186 -82.615 -37.111 90 H1 A2G 12 H1 A2G 12 -65.753 -80.047 -43.606 91 H2 A2G 12 H2 A2G 12 -63.766 -78.777 -44.295 92 HN2 A2G 12 HN2 A2G 12 -64.454 -78.335 -41.449 93 H3 A2G 12 H3 A2G 12 -65.149 -76.401 -43.021 94 HO3 A2G 12 HO3 A2G 12 -62.721 -76.677 -44.460 95 H4 A2G 12 H4 A2G 12 -65.354 -75.516 -45.276 96 HO4 A2G 12 HO4 A2G 12 -64.150 -77.964 -46.053 97 H5 A2G 12 H5 A2G 12 -67.195 -76.947 -44.510 98 H6 A2G 12 H6 A2G 12 -66.807 -76.173 -47.045 99 H8 A2G 12 H8 A2G 12 -62.834 -78.754 -39.963 100 H8A A2G 12 H8A A2G 12 -61.289 -79.405 -40.513 101 H8B A2G 12 H8B A2G 12 -62.670 -80.479 -40.289 102 H14 A2G 12 H14 A2G 12 -66.761 -77.917 -47.304 103 H15 A2G 12 H15 A2G 12 -68.777 -78.054 -46.254 Start of MODEL 26 1 H1 ACE 1 H1 ACE 1 -66.932 -69.238 -38.597 2 H2 ACE 1 H2 ACE 1 -68.272 -70.374 -38.449 3 H3 ACE 1 H3 ACE 1 -66.897 -70.761 -39.484 4 HA PRO 2 HA PRO 2 -65.318 -71.177 -34.965 5 HB2 PRO 2 HB2 PRO 2 -67.550 -71.026 -33.150 6 HB3 PRO 2 HB3 PRO 2 -66.168 -69.929 -33.279 7 HG2 PRO 2 HG2 PRO 2 -68.780 -69.302 -33.924 8 HG3 PRO 2 HG3 PRO 2 -67.344 -68.418 -34.458 9 HD2 PRO 2 HD2 PRO 2 -69.034 -70.351 -35.973 10 HD3 PRO 2 HD3 PRO 2 -68.094 -68.963 -36.566 11 H THR 3 H THR 3 -66.915 -72.983 -36.755 12 HA THR 3 HA THR 3 -67.000 -75.271 -34.930 13 HB THR 3 HB THR 3 -69.190 -76.006 -35.863 14 HG21 THR 3 HG21 THR 3 -70.474 -74.712 -34.384 15 HG22 THR 3 HG22 THR 3 -69.548 -73.247 -34.715 16 HG23 THR 3 HG23 THR 3 -68.844 -74.533 -33.734 17 H THR 4 H THR 4 -66.780 -77.294 -35.988 18 HA THR 4 HA THR 4 -65.580 -77.061 -38.667 19 HB THR 4 HB THR 4 -64.868 -79.513 -38.002 20 HG21 THR 4 HG21 THR 4 -63.673 -77.106 -36.597 21 HG22 THR 4 HG22 THR 4 -63.376 -77.518 -38.286 22 HG23 THR 4 HG23 THR 4 -62.842 -78.608 -37.006 23 H THR 5 H THR 5 -66.208 -78.394 -40.361 24 HA THR 5 HA THR 5 -68.934 -79.440 -40.140 25 HB THR 5 HB THR 5 -68.799 -79.584 -42.622 26 HG21 THR 5 HG21 THR 5 -67.819 -76.857 -42.251 27 HG22 THR 5 HG22 THR 5 -68.997 -77.317 -41.021 28 HG23 THR 5 HG23 THR 5 -69.423 -77.414 -42.730 29 HA PRO 6 HA PRO 6 -68.043 -83.704 -39.795 30 HB2 PRO 6 HB2 PRO 6 -69.550 -84.474 -42.125 31 HB3 PRO 6 HB3 PRO 6 -70.024 -84.598 -40.424 32 HG2 PRO 6 HG2 PRO 6 -70.773 -82.608 -42.424 33 HG3 PRO 6 HG3 PRO 6 -71.544 -83.007 -40.883 34 HD2 PRO 6 HD2 PRO 6 -70.172 -80.674 -41.312 35 HD3 PRO 6 HD3 PRO 6 -70.324 -81.435 -39.712 36 H LEU 7 H LEU 7 -67.346 -85.638 -41.260 37 HA LEU 7 HA LEU 7 -64.945 -84.933 -42.571 38 HB2 LEU 7 HB2 LEU 7 -66.452 -87.392 -42.018 39 HB3 LEU 7 HB3 LEU 7 -65.508 -87.451 -43.505 40 HG LEU 7 HG LEU 7 -64.228 -88.203 -41.480 41 HD11 LEU 7 HD11 LEU 7 -62.416 -87.514 -42.623 42 HD12 LEU 7 HD12 LEU 7 -62.668 -85.854 -42.082 43 HD13 LEU 7 HD13 LEU 7 -63.456 -86.432 -43.550 44 HD21 LEU 7 HD21 LEU 7 -64.026 -86.898 -39.625 45 HD22 LEU 7 HD22 LEU 7 -65.448 -86.067 -40.256 46 HD23 LEU 7 HD23 LEU 7 -63.837 -85.423 -40.572 47 H LYS 8 H LYS 8 -64.643 -86.149 -44.884 48 HA LYS 8 HA LYS 8 -66.177 -84.521 -46.714 49 HB2 LYS 8 HB2 LYS 8 -64.000 -86.578 -47.150 50 HB3 LYS 8 HB3 LYS 8 -64.733 -85.624 -48.441 51 HG2 LYS 8 HG2 LYS 8 -63.953 -83.902 -46.252 52 HG3 LYS 8 HG3 LYS 8 -62.577 -84.867 -46.789 53 HD2 LYS 8 HD2 LYS 8 -64.376 -83.314 -48.669 54 HD3 LYS 8 HD3 LYS 8 -62.848 -82.697 -48.040 55 HE2 LYS 8 HE2 LYS 8 -62.488 -85.370 -49.083 56 HE3 LYS 8 HE3 LYS 8 -63.210 -84.329 -50.309 57 HZ1 LYS 8 HZ1 LYS 8 -60.577 -84.227 -49.116 58 HZ2 LYS 8 HZ2 LYS 8 -61.345 -82.719 -49.268 59 HZ3 LYS 8 HZ3 LYS 8 -61.101 -83.694 -50.638 60 HN1 NH2 9 HN1 NH2 9 -67.630 -85.911 -48.707 61 HN2 NH2 9 HN2 NH2 9 -68.694 -86.161 -47.409 62 H1 A2G 10 H1 A2G 10 -69.298 -75.975 -38.119 63 H2 A2G 10 H2 A2G 10 -70.680 -75.064 -39.932 64 HN2 A2G 10 HN2 A2G 10 -68.547 -73.160 -39.164 65 H3 A2G 10 H3 A2G 10 -70.845 -72.565 -38.225 66 HO3 A2G 10 HO3 A2G 10 -71.883 -71.734 -39.905 67 H4 A2G 10 H4 A2G 10 -73.199 -73.104 -37.946 68 HO4 A2G 10 HO4 A2G 10 -73.456 -74.189 -39.937 69 H5 A2G 10 H5 A2G 10 -71.662 -74.078 -36.295 70 H6 A2G 10 H6 A2G 10 -73.327 -76.456 -36.656 71 H8 A2G 10 H8 A2G 10 -67.488 -72.654 -41.974 72 H8A A2G 10 H8A A2G 10 -66.635 -74.193 -41.851 73 H8B A2G 10 H8B A2G 10 -66.733 -73.124 -40.451 74 H14 A2G 10 H14 A2G 10 -73.355 -75.259 -35.361 75 H15 A2G 10 H15 A2G 10 -74.738 -74.037 -36.483 76 H1 A2G 11 H1 A2G 11 -65.230 -80.996 -36.594 77 H2 A2G 11 H2 A2G 11 -65.489 -81.822 -34.295 78 HN2 A2G 11 HN2 A2G 11 -67.554 -79.827 -35.019 79 H3 A2G 11 H3 A2G 11 -65.654 -78.896 -33.522 80 HO3 A2G 11 HO3 A2G 11 -65.349 -80.223 -31.421 81 H4 A2G 11 H4 A2G 11 -63.515 -79.233 -32.417 82 HO4 A2G 11 HO4 A2G 11 -62.510 -81.384 -33.120 83 H5 A2G 11 H5 A2G 11 -63.419 -78.559 -34.777 84 H6 A2G 11 H6 A2G 11 -61.157 -79.176 -35.205 85 H8 A2G 11 H8 A2G 11 -69.552 -80.788 -35.704 86 H8A A2G 11 H8A A2G 11 -69.931 -81.134 -34.015 87 H8B A2G 11 H8B A2G 11 -69.911 -82.440 -35.200 88 H14 A2G 11 H14 A2G 11 -61.313 -79.223 -33.449 89 H15 A2G 11 H15 A2G 11 -61.930 -81.542 -34.846 90 H1 A2G 12 H1 A2G 12 -67.228 -80.809 -43.498 91 H2 A2G 12 H2 A2G 12 -65.217 -80.803 -44.909 92 HN2 A2G 12 HN2 A2G 12 -64.640 -80.189 -42.070 93 H3 A2G 12 H3 A2G 12 -64.642 -78.108 -43.646 94 HO3 A2G 12 HO3 A2G 12 -63.333 -79.256 -45.844 95 H4 A2G 12 H4 A2G 12 -65.056 -77.171 -45.850 96 HO4 A2G 12 HO4 A2G 12 -65.728 -78.499 -47.528 97 H5 A2G 12 H5 A2G 12 -67.011 -77.388 -44.379 98 H6 A2G 12 H6 A2G 12 -67.483 -76.466 -46.566 99 H8 A2G 12 H8 A2G 12 -63.678 -81.745 -40.887 100 H8A A2G 12 H8A A2G 12 -62.212 -82.181 -41.764 101 H8B A2G 12 H8B A2G 12 -63.521 -83.352 -41.599 102 H14 A2G 12 H14 A2G 12 -67.516 -78.073 -47.291 103 H15 A2G 12 H15 A2G 12 -69.609 -77.150 -46.785 Start of MODEL 27 1 H1 ACE 1 H1 ACE 1 -69.006 -69.968 -32.246 2 H2 ACE 1 H2 ACE 1 -67.846 -68.760 -32.798 3 H3 ACE 1 H3 ACE 1 -67.324 -70.055 -31.721 4 HA PRO 2 HA PRO 2 -66.662 -70.841 -36.461 5 HB2 PRO 2 HB2 PRO 2 -63.996 -71.621 -35.697 6 HB3 PRO 2 HB3 PRO 2 -64.488 -70.270 -36.729 7 HG2 PRO 2 HG2 PRO 2 -63.701 -70.273 -33.917 8 HG3 PRO 2 HG3 PRO 2 -63.767 -68.933 -35.071 9 HD2 PRO 2 HD2 PRO 2 -65.528 -69.204 -32.990 10 HD3 PRO 2 HD3 PRO 2 -65.942 -68.386 -34.515 11 H THR 3 H THR 3 -67.773 -72.726 -36.669 12 HA THR 3 HA THR 3 -67.061 -75.032 -35.010 13 HB THR 3 HB THR 3 -69.068 -76.072 -36.060 14 HG21 THR 3 HG21 THR 3 -68.998 -74.281 -34.060 15 HG22 THR 3 HG22 THR 3 -70.511 -74.973 -34.646 16 HG23 THR 3 HG23 THR 3 -69.999 -73.378 -35.196 17 H THR 4 H THR 4 -67.628 -77.136 -36.632 18 HA THR 4 HA THR 4 -65.870 -76.886 -38.979 19 HB THR 4 HB THR 4 -64.746 -79.019 -38.339 20 HG21 THR 4 HG21 THR 4 -63.183 -77.991 -36.919 21 HG22 THR 4 HG22 THR 4 -64.421 -77.060 -36.076 22 HG23 THR 4 HG23 THR 4 -63.947 -76.616 -37.716 23 H THR 5 H THR 5 -66.425 -78.181 -40.685 24 HA THR 5 HA THR 5 -69.005 -79.551 -40.463 25 HB THR 5 HB THR 5 -68.575 -79.727 -43.046 26 HG21 THR 5 HG21 THR 5 -69.191 -77.157 -43.142 27 HG22 THR 5 HG22 THR 5 -69.308 -77.338 -41.392 28 HG23 THR 5 HG23 THR 5 -70.324 -78.317 -42.449 29 HA PRO 6 HA PRO 6 -67.677 -83.709 -40.348 30 HB2 PRO 6 HB2 PRO 6 -68.944 -84.507 -42.809 31 HB3 PRO 6 HB3 PRO 6 -69.501 -84.782 -41.152 32 HG2 PRO 6 HG2 PRO 6 -70.353 -82.772 -43.091 33 HG3 PRO 6 HG3 PRO 6 -71.167 -83.351 -41.630 34 HD2 PRO 6 HD2 PRO 6 -70.055 -80.856 -41.835 35 HD3 PRO 6 HD3 PRO 6 -70.209 -81.729 -40.293 36 H LEU 7 H LEU 7 -65.625 -84.256 -40.789 37 HA LEU 7 HA LEU 7 -64.150 -83.309 -43.005 38 HB2 LEU 7 HB2 LEU 7 -63.649 -85.550 -41.042 39 HB3 LEU 7 HB3 LEU 7 -62.486 -85.085 -42.285 40 HG LEU 7 HG LEU 7 -62.579 -82.734 -41.392 41 HD11 LEU 7 HD11 LEU 7 -64.416 -84.117 -39.461 42 HD12 LEU 7 HD12 LEU 7 -64.585 -82.535 -40.219 43 HD13 LEU 7 HD13 LEU 7 -63.435 -82.763 -38.902 44 HD21 LEU 7 HD21 LEU 7 -61.613 -83.737 -38.996 45 HD22 LEU 7 HD22 LEU 7 -60.677 -83.570 -40.481 46 HD23 LEU 7 HD23 LEU 7 -61.447 -85.109 -40.092 47 H LYS 8 H LYS 8 -65.249 -83.811 -44.915 48 HA LYS 8 HA LYS 8 -64.689 -86.438 -45.975 49 HB2 LYS 8 HB2 LYS 8 -66.921 -86.613 -44.708 50 HB3 LYS 8 HB3 LYS 8 -67.581 -85.593 -45.988 51 HG2 LYS 8 HG2 LYS 8 -67.965 -87.654 -46.947 52 HG3 LYS 8 HG3 LYS 8 -66.323 -87.382 -47.531 53 HD2 LYS 8 HD2 LYS 8 -65.441 -88.627 -45.569 54 HD3 LYS 8 HD3 LYS 8 -67.097 -88.950 -45.053 55 HE2 LYS 8 HE2 LYS 8 -67.542 -90.300 -46.955 56 HE3 LYS 8 HE3 LYS 8 -66.112 -89.713 -47.805 57 HZ1 LYS 8 HZ1 LYS 8 -65.946 -91.207 -45.255 58 HZ2 LYS 8 HZ2 LYS 8 -64.699 -90.885 -46.363 59 HZ3 LYS 8 HZ3 LYS 8 -65.934 -91.982 -46.763 60 HN1 NH2 9 HN1 NH2 9 -67.333 -84.364 -47.325 61 HN2 NH2 9 HN2 NH2 9 -66.245 -83.230 -47.968 62 H1 A2G 10 H1 A2G 10 -68.993 -76.145 -38.372 63 H2 A2G 10 H2 A2G 10 -70.467 -75.520 -40.237 64 HN2 A2G 10 HN2 A2G 10 -68.590 -73.363 -39.473 65 H3 A2G 10 H3 A2G 10 -71.033 -73.016 -38.626 66 HO3 A2G 10 HO3 A2G 10 -71.887 -72.329 -40.408 67 H4 A2G 10 H4 A2G 10 -73.284 -73.892 -38.358 68 HO4 A2G 10 HO4 A2G 10 -73.790 -75.941 -39.154 69 H5 A2G 10 H5 A2G 10 -71.654 -74.572 -36.653 70 H6 A2G 10 H6 A2G 10 -72.994 -77.172 -37.052 71 H8 A2G 10 H8 A2G 10 -67.769 -72.693 -42.497 72 H8A A2G 10 H8A A2G 10 -66.620 -73.975 -42.112 73 H8B A2G 10 H8B A2G 10 -67.055 -72.784 -40.886 74 H14 A2G 10 H14 A2G 10 -73.096 -76.053 -35.693 75 H15 A2G 10 H15 A2G 10 -74.589 -74.861 -36.776 76 H1 A2G 11 H1 A2G 11 -66.344 -80.615 -37.799 77 H2 A2G 11 H2 A2G 11 -66.748 -82.228 -35.989 78 HN2 A2G 11 HN2 A2G 11 -68.047 -79.627 -35.421 79 H3 A2G 11 H3 A2G 11 -65.865 -79.996 -34.138 80 HO3 A2G 11 HO3 A2G 11 -67.395 -81.320 -33.212 81 H4 A2G 11 H4 A2G 11 -63.916 -81.370 -33.673 82 HO4 A2G 11 HO4 A2G 11 -63.811 -83.377 -34.293 83 H5 A2G 11 H5 A2G 11 -63.716 -79.823 -35.568 84 H6 A2G 11 H6 A2G 11 -61.824 -80.820 -36.608 85 H8 A2G 11 H8 A2G 11 -70.242 -79.517 -36.126 86 H8A A2G 11 H8A A2G 11 -70.737 -80.532 -34.771 87 H8B A2G 11 H8B A2G 11 -71.119 -81.019 -36.422 88 H14 A2G 11 H14 A2G 11 -61.906 -81.580 -35.019 89 H15 A2G 11 H15 A2G 11 -62.262 -82.659 -37.510 90 H1 A2G 12 H1 A2G 12 -66.433 -80.224 -43.368 91 H2 A2G 12 H2 A2G 12 -64.315 -79.428 -44.327 92 HN2 A2G 12 HN2 A2G 12 -64.761 -78.364 -41.599 93 H3 A2G 12 H3 A2G 12 -65.253 -76.673 -43.479 94 HO3 A2G 12 HO3 A2G 12 -63.138 -77.039 -45.202 95 H4 A2G 12 H4 A2G 12 -65.440 -76.183 -45.851 96 HO4 A2G 12 HO4 A2G 12 -64.878 -78.907 -46.345 97 H5 A2G 12 H5 A2G 12 -67.434 -77.144 -44.790 98 H6 A2G 12 H6 A2G 12 -67.062 -76.912 -47.436 99 H8 A2G 12 H8 A2G 12 -63.190 -78.822 -40.086 100 H8A A2G 12 H8A A2G 12 -61.798 -79.806 -40.541 101 H8B A2G 12 H8B A2G 12 -63.321 -80.580 -40.103 102 H14 A2G 12 H14 A2G 12 -67.316 -78.655 -47.363 103 H15 A2G 12 H15 A2G 12 -69.216 -78.078 -46.032 Start of MODEL 28 1 H1 ACE 1 H1 ACE 1 -68.471 -69.785 -31.489 2 H2 ACE 1 H2 ACE 1 -67.162 -68.790 -32.128 3 H3 ACE 1 H3 ACE 1 -66.794 -70.218 -31.162 4 HA PRO 2 HA PRO 2 -66.798 -70.849 -35.970 5 HB2 PRO 2 HB2 PRO 2 -64.268 -72.160 -35.543 6 HB3 PRO 2 HB3 PRO 2 -64.595 -70.686 -36.466 7 HG2 PRO 2 HG2 PRO 2 -63.530 -70.991 -33.765 8 HG3 PRO 2 HG3 PRO 2 -63.459 -69.601 -34.858 9 HD2 PRO 2 HD2 PRO 2 -65.009 -69.654 -32.598 10 HD3 PRO 2 HD3 PRO 2 -65.415 -68.688 -34.035 11 H THR 3 H THR 3 -66.846 -72.964 -37.003 12 HA THR 3 HA THR 3 -66.870 -75.296 -35.232 13 HB THR 3 HB THR 3 -69.111 -75.984 -36.073 14 HG21 THR 3 HG21 THR 3 -69.293 -73.244 -34.818 15 HG22 THR 3 HG22 THR 3 -68.694 -74.637 -33.916 16 HG23 THR 3 HG23 THR 3 -70.339 -74.639 -34.552 17 H THR 4 H THR 4 -66.685 -77.285 -36.334 18 HA THR 4 HA THR 4 -65.642 -77.005 -39.073 19 HB THR 4 HB THR 4 -64.633 -79.247 -38.649 20 HG21 THR 4 HG21 THR 4 -63.934 -77.441 -36.345 21 HG22 THR 4 HG22 THR 4 -63.591 -76.946 -38.002 22 HG23 THR 4 HG23 THR 4 -62.861 -78.414 -37.351 23 H THR 5 H THR 5 -66.476 -78.141 -40.776 24 HA THR 5 HA THR 5 -69.108 -79.354 -40.347 25 HB THR 5 HB THR 5 -68.967 -79.395 -42.970 26 HG21 THR 5 HG21 THR 5 -70.552 -77.951 -42.014 27 HG22 THR 5 HG22 THR 5 -69.497 -76.839 -42.886 28 HG23 THR 5 HG23 THR 5 -69.325 -77.031 -41.143 29 HA PRO 6 HA PRO 6 -68.068 -83.586 -40.625 30 HB2 PRO 6 HB2 PRO 6 -69.646 -84.139 -42.970 31 HB3 PRO 6 HB3 PRO 6 -70.038 -84.490 -41.279 32 HG2 PRO 6 HG2 PRO 6 -70.956 -82.308 -42.988 33 HG3 PRO 6 HG3 PRO 6 -71.644 -82.930 -41.482 34 HD2 PRO 6 HD2 PRO 6 -70.392 -80.499 -41.664 35 HD3 PRO 6 HD3 PRO 6 -70.437 -81.460 -40.169 36 H LEU 7 H LEU 7 -66.017 -83.981 -41.279 37 HA LEU 7 HA LEU 7 -64.869 -83.087 -43.700 38 HB2 LEU 7 HB2 LEU 7 -63.896 -85.486 -42.159 39 HB3 LEU 7 HB3 LEU 7 -62.951 -84.308 -43.072 40 HG LEU 7 HG LEU 7 -64.262 -82.713 -41.245 41 HD11 LEU 7 HD11 LEU 7 -63.293 -85.127 -39.707 42 HD12 LEU 7 HD12 LEU 7 -64.986 -84.934 -40.163 43 HD13 LEU 7 HD13 LEU 7 -64.216 -83.748 -39.108 44 HD21 LEU 7 HD21 LEU 7 -62.052 -82.608 -40.120 45 HD22 LEU 7 HD22 LEU 7 -61.885 -82.585 -41.876 46 HD23 LEU 7 HD23 LEU 7 -61.557 -84.067 -40.978 47 H LYS 8 H LYS 8 -63.603 -85.107 -44.926 48 HA LYS 8 HA LYS 8 -63.953 -86.493 -46.742 49 HB2 LYS 8 HB2 LYS 8 -65.614 -87.936 -44.661 50 HB3 LYS 8 HB3 LYS 8 -64.941 -88.648 -46.127 51 HG2 LYS 8 HG2 LYS 8 -62.871 -87.264 -44.658 52 HG3 LYS 8 HG3 LYS 8 -63.682 -88.429 -43.612 53 HD2 LYS 8 HD2 LYS 8 -62.646 -89.090 -46.381 54 HD3 LYS 8 HD3 LYS 8 -61.745 -89.398 -44.896 55 HE2 LYS 8 HE2 LYS 8 -64.444 -90.401 -44.642 56 HE3 LYS 8 HE3 LYS 8 -63.683 -91.068 -46.086 57 HZ1 LYS 8 HZ1 LYS 8 -61.960 -90.994 -43.780 58 HZ2 LYS 8 HZ2 LYS 8 -62.258 -92.260 -44.875 59 HZ3 LYS 8 HZ3 LYS 8 -63.320 -91.988 -43.577 60 HN1 NH2 9 HN1 NH2 9 -65.979 -84.493 -47.666 61 HN2 NH2 9 HN2 NH2 9 -66.221 -85.840 -48.670 62 H1 A2G 10 H1 A2G 10 -69.252 -75.895 -38.324 63 H2 A2G 10 H2 A2G 10 -70.636 -74.932 -40.110 64 HN2 A2G 10 HN2 A2G 10 -68.496 -73.060 -39.281 65 H3 A2G 10 H3 A2G 10 -70.798 -72.478 -38.341 66 HO3 A2G 10 HO3 A2G 10 -71.482 -73.123 -40.955 67 H4 A2G 10 H4 A2G 10 -73.146 -73.024 -38.051 68 HO4 A2G 10 HO4 A2G 10 -72.508 -74.905 -39.991 69 H5 A2G 10 H5 A2G 10 -71.599 -74.047 -36.441 70 H6 A2G 10 H6 A2G 10 -73.317 -76.390 -36.920 71 H8 A2G 10 H8 A2G 10 -67.582 -72.331 -42.026 72 H8A A2G 10 H8A A2G 10 -66.683 -73.843 -42.154 73 H8B A2G 10 H8B A2G 10 -66.692 -72.948 -40.634 74 H14 A2G 10 H14 A2G 10 -73.246 -75.318 -35.521 75 H15 A2G 10 H15 A2G 10 -75.009 -75.339 -37.515 76 H1 A2G 11 H1 A2G 11 -66.292 -80.747 -38.023 77 H2 A2G 11 H2 A2G 11 -66.645 -82.421 -36.263 78 HN2 A2G 11 HN2 A2G 11 -67.650 -79.775 -35.392 79 H3 A2G 11 H3 A2G 11 -65.398 -80.382 -34.399 80 HO3 A2G 11 HO3 A2G 11 -65.762 -83.019 -33.686 81 H4 A2G 11 H4 A2G 11 -63.525 -81.918 -34.220 82 HO4 A2G 11 HO4 A2G 11 -65.290 -83.550 -35.540 83 H5 A2G 11 H5 A2G 11 -63.405 -80.272 -36.040 84 H6 A2G 11 H6 A2G 11 -61.652 -81.285 -37.221 85 H8 A2G 11 H8 A2G 11 -69.901 -79.427 -35.867 86 H8A A2G 11 H8A A2G 11 -70.303 -80.507 -34.532 87 H8B A2G 11 H8B A2G 11 -70.928 -80.833 -36.149 88 H14 A2G 11 H14 A2G 11 -61.736 -82.286 -35.772 89 H15 A2G 11 H15 A2G 11 -62.877 -82.818 -38.309 90 H1 A2G 12 H1 A2G 12 -66.883 -79.970 -43.570 91 H2 A2G 12 H2 A2G 12 -64.873 -79.183 -44.752 92 HN2 A2G 12 HN2 A2G 12 -64.956 -78.346 -41.914 93 H3 A2G 12 H3 A2G 12 -65.589 -76.465 -43.620 94 HO3 A2G 12 HO3 A2G 12 -63.695 -76.823 -45.600 95 H4 A2G 12 H4 A2G 12 -66.027 -75.820 -45.925 96 HO4 A2G 12 HO4 A2G 12 -64.813 -78.227 -46.379 97 H5 A2G 12 H5 A2G 12 -67.912 -76.766 -44.673 98 H6 A2G 12 H6 A2G 12 -68.153 -76.202 -47.129 99 H8 A2G 12 H8 A2G 12 -63.335 -79.047 -40.587 100 H8A A2G 12 H8A A2G 12 -61.799 -79.509 -41.323 101 H8B A2G 12 H8B A2G 12 -63.058 -80.718 -41.078 102 H14 A2G 12 H14 A2G 12 -67.896 -77.911 -47.480 103 H15 A2G 12 H15 A2G 12 -69.678 -78.140 -45.799 Start of MODEL 29 1 H1 ACE 1 H1 ACE 1 -69.526 -68.587 -35.775 2 H2 ACE 1 H2 ACE 1 -70.699 -69.674 -35.033 3 H3 ACE 1 H3 ACE 1 -70.405 -69.748 -36.770 4 HA PRO 2 HA PRO 2 -66.084 -71.154 -34.930 5 HB2 PRO 2 HB2 PRO 2 -66.590 -71.693 -32.146 6 HB3 PRO 2 HB3 PRO 2 -65.445 -70.540 -32.847 7 HG2 PRO 2 HG2 PRO 2 -68.095 -70.077 -31.713 8 HG3 PRO 2 HG3 PRO 2 -66.777 -68.934 -32.008 9 HD2 PRO 2 HD2 PRO 2 -69.091 -68.957 -33.472 10 HD3 PRO 2 HD3 PRO 2 -67.532 -68.402 -34.125 11 H THR 3 H THR 3 -66.786 -72.951 -36.171 12 HA THR 3 HA THR 3 -67.486 -75.292 -34.557 13 HB THR 3 HB THR 3 -69.236 -75.970 -36.198 14 HG21 THR 3 HG21 THR 3 -69.953 -73.246 -35.137 15 HG22 THR 3 HG22 THR 3 -69.625 -74.577 -34.025 16 HG23 THR 3 HG23 THR 3 -70.941 -74.707 -35.193 17 H THR 4 H THR 4 -67.671 -77.230 -36.319 18 HA THR 4 HA THR 4 -65.481 -76.942 -38.265 19 HB THR 4 HB THR 4 -64.537 -79.120 -37.501 20 HG21 THR 4 HG21 THR 4 -64.050 -76.643 -36.515 21 HG22 THR 4 HG22 THR 4 -63.172 -78.079 -35.988 22 HG23 THR 4 HG23 THR 4 -64.526 -77.472 -35.033 23 H THR 5 H THR 5 -65.390 -78.805 -39.778 24 HA THR 5 HA THR 5 -67.876 -80.339 -40.006 25 HB THR 5 HB THR 5 -68.161 -79.664 -42.374 26 HG21 THR 5 HG21 THR 5 -68.069 -77.149 -40.719 27 HG22 THR 5 HG22 THR 5 -69.207 -78.437 -40.327 28 HG23 THR 5 HG23 THR 5 -69.277 -77.649 -41.903 29 HA PRO 6 HA PRO 6 -64.460 -83.051 -41.143 30 HB2 PRO 6 HB2 PRO 6 -66.214 -85.271 -40.595 31 HB3 PRO 6 HB3 PRO 6 -64.840 -84.700 -39.638 32 HG2 PRO 6 HG2 PRO 6 -67.493 -84.560 -38.881 33 HG3 PRO 6 HG3 PRO 6 -66.169 -83.613 -38.185 34 HD2 PRO 6 HD2 PRO 6 -68.258 -82.774 -40.142 35 HD3 PRO 6 HD3 PRO 6 -67.405 -81.812 -38.913 36 H LEU 7 H LEU 7 -64.030 -84.214 -43.003 37 HA LEU 7 HA LEU 7 -65.738 -83.876 -45.231 38 HB2 LEU 7 HB2 LEU 7 -63.509 -85.904 -45.004 39 HB3 LEU 7 HB3 LEU 7 -64.114 -85.122 -46.465 40 HG LEU 7 HG LEU 7 -62.715 -83.733 -44.161 41 HD11 LEU 7 HD11 LEU 7 -61.372 -85.196 -45.816 42 HD12 LEU 7 HD12 LEU 7 -60.840 -83.529 -45.592 43 HD13 LEU 7 HD13 LEU 7 -61.776 -83.971 -47.019 44 HD21 LEU 7 HD21 LEU 7 -64.121 -82.075 -44.984 45 HD22 LEU 7 HD22 LEU 7 -64.165 -82.774 -46.603 46 HD23 LEU 7 HD23 LEU 7 -62.740 -81.884 -46.065 47 H LYS 8 H LYS 8 -66.761 -85.523 -46.523 48 HA LYS 8 HA LYS 8 -68.408 -87.139 -46.673 49 HB2 LYS 8 HB2 LYS 8 -66.323 -88.790 -45.227 50 HB3 LYS 8 HB3 LYS 8 -67.579 -89.376 -46.320 51 HG2 LYS 8 HG2 LYS 8 -66.567 -88.107 -48.176 52 HG3 LYS 8 HG3 LYS 8 -65.313 -87.511 -47.087 53 HD2 LYS 8 HD2 LYS 8 -65.546 -90.407 -46.942 54 HD3 LYS 8 HD3 LYS 8 -65.220 -89.871 -48.590 55 HE2 LYS 8 HE2 LYS 8 -63.646 -88.905 -46.191 56 HE3 LYS 8 HE3 LYS 8 -63.152 -90.276 -47.185 57 HZ1 LYS 8 HZ1 LYS 8 -62.593 -88.951 -48.900 58 HZ2 LYS 8 HZ2 LYS 8 -62.416 -87.779 -47.682 59 HZ3 LYS 8 HZ3 LYS 8 -63.838 -87.837 -48.608 60 HN1 NH2 9 HN1 NH2 9 -70.094 -86.353 -45.104 61 HN2 NH2 9 HN2 NH2 9 -69.790 -86.408 -43.435 62 H1 A2G 10 H1 A2G 10 -68.866 -75.930 -38.350 63 H2 A2G 10 H2 A2G 10 -69.528 -74.877 -40.469 64 HN2 A2G 10 HN2 A2G 10 -67.430 -73.350 -39.044 65 H3 A2G 10 H3 A2G 10 -69.814 -72.342 -38.834 66 HO3 A2G 10 HO3 A2G 10 -69.178 -72.546 -41.245 67 H4 A2G 10 H4 A2G 10 -72.200 -72.531 -39.254 68 HO4 A2G 10 HO4 A2G 10 -71.412 -74.114 -41.178 69 H5 A2G 10 H5 A2G 10 -71.364 -73.680 -37.251 70 H6 A2G 10 H6 A2G 10 -73.283 -75.633 -38.500 71 H8 A2G 10 H8 A2G 10 -65.575 -72.790 -41.112 72 H8A A2G 10 H8A A2G 10 -65.115 -74.449 -41.491 73 H8B A2G 10 H8B A2G 10 -65.271 -73.940 -39.809 74 H14 A2G 10 H14 A2G 10 -73.268 -74.988 -36.858 75 H15 A2G 10 H15 A2G 10 -74.826 -74.150 -38.595 76 H1 A2G 11 H1 A2G 11 -66.104 -80.820 -37.249 77 H2 A2G 11 H2 A2G 11 -66.694 -82.446 -35.503 78 HN2 A2G 11 HN2 A2G 11 -68.273 -79.948 -35.328 79 H3 A2G 11 H3 A2G 11 -66.353 -80.129 -33.579 80 HO3 A2G 11 HO3 A2G 11 -66.489 -82.187 -32.198 81 H4 A2G 11 H4 A2G 11 -64.411 -81.324 -32.736 82 HO4 A2G 11 HO4 A2G 11 -65.041 -83.195 -34.770 83 H5 A2G 11 H5 A2G 11 -64.001 -79.782 -34.602 84 H6 A2G 11 H6 A2G 11 -61.899 -80.706 -35.377 85 H8 A2G 11 H8 A2G 11 -70.346 -80.113 -36.322 86 H8A A2G 11 H8A A2G 11 -70.953 -81.030 -34.944 87 H8B A2G 11 H8B A2G 11 -71.051 -81.710 -36.568 88 H14 A2G 11 H14 A2G 11 -62.133 -81.231 -33.710 89 H15 A2G 11 H15 A2G 11 -63.318 -82.975 -35.330 90 H1 A2G 12 H1 A2G 12 -66.400 -79.841 -43.706 91 H2 A2G 12 H2 A2G 12 -64.930 -78.538 -45.184 92 HN2 A2G 12 HN2 A2G 12 -64.018 -78.557 -42.368 93 H3 A2G 12 H3 A2G 12 -65.195 -76.350 -43.105 94 HO3 A2G 12 HO3 A2G 12 -63.230 -76.785 -44.549 95 H4 A2G 12 H4 A2G 12 -66.437 -75.119 -44.793 96 HO4 A2G 12 HO4 A2G 12 -66.527 -75.764 -46.800 97 H5 A2G 12 H5 A2G 12 -67.760 -76.596 -43.345 98 H6 A2G 12 H6 A2G 12 -69.059 -75.418 -44.995 99 H8 A2G 12 H8 A2G 12 -62.303 -79.845 -41.893 100 H8A A2G 12 H8A A2G 12 -61.035 -79.209 -42.941 101 H8B A2G 12 H8B A2G 12 -61.615 -80.860 -43.161 102 H14 A2G 12 H14 A2G 12 -68.581 -76.547 -46.263 103 H15 A2G 12 H15 A2G 12 -69.836 -78.093 -45.389 Start of MODEL 30 1 H1 ACE 1 H1 ACE 1 -69.685 -70.133 -35.855 2 H2 ACE 1 H2 ACE 1 -69.584 -70.139 -37.615 3 H3 ACE 1 H3 ACE 1 -68.817 -68.847 -36.693 4 HA PRO 2 HA PRO 2 -65.200 -71.303 -36.034 5 HB2 PRO 2 HB2 PRO 2 -65.294 -71.772 -33.192 6 HB3 PRO 2 HB3 PRO 2 -64.392 -70.527 -34.068 7 HG2 PRO 2 HG2 PRO 2 -66.538 -70.073 -32.390 8 HG3 PRO 2 HG3 PRO 2 -65.922 -68.944 -33.606 9 HD2 PRO 2 HD2 PRO 2 -68.327 -70.703 -33.718 10 HD3 PRO 2 HD3 PRO 2 -68.040 -69.127 -34.491 11 H THR 3 H THR 3 -67.742 -72.868 -36.363 12 HA THR 3 HA THR 3 -67.155 -75.347 -34.917 13 HB THR 3 HB THR 3 -69.279 -76.140 -35.948 14 HG21 THR 3 HG21 THR 3 -68.915 -74.143 -33.972 15 HG22 THR 3 HG22 THR 3 -70.293 -75.228 -34.159 16 HG23 THR 3 HG23 THR 3 -70.305 -73.645 -34.937 17 H THR 4 H THR 4 -66.738 -77.317 -35.967 18 HA THR 4 HA THR 4 -65.504 -77.003 -38.622 19 HB THR 4 HB THR 4 -64.381 -79.159 -38.087 20 HG21 THR 4 HG21 THR 4 -64.096 -77.132 -35.853 21 HG22 THR 4 HG22 THR 4 -63.404 -76.919 -37.462 22 HG23 THR 4 HG23 THR 4 -62.864 -78.250 -36.439 23 H THR 5 H THR 5 -66.122 -78.217 -40.363 24 HA THR 5 HA THR 5 -68.704 -79.580 -40.127 25 HB THR 5 HB THR 5 -68.275 -79.660 -42.744 26 HG21 THR 5 HG21 THR 5 -69.339 -77.443 -42.908 27 HG22 THR 5 HG22 THR 5 -68.908 -77.109 -41.231 28 HG23 THR 5 HG23 THR 5 -70.063 -78.387 -41.607 29 HA PRO 6 HA PRO 6 -67.032 -83.615 -40.585 30 HB2 PRO 6 HB2 PRO 6 -69.102 -84.552 -42.357 31 HB3 PRO 6 HB3 PRO 6 -68.972 -84.780 -40.608 32 HG2 PRO 6 HG2 PRO 6 -70.872 -83.238 -41.889 33 HG3 PRO 6 HG3 PRO 6 -70.435 -83.126 -40.178 34 HD2 PRO 6 HD2 PRO 6 -69.659 -81.343 -42.440 35 HD3 PRO 6 HD3 PRO 6 -69.879 -80.958 -40.718 36 H LEU 7 H LEU 7 -65.139 -83.229 -41.809 37 HA LEU 7 HA LEU 7 -65.092 -82.854 -44.616 38 HB2 LEU 7 HB2 LEU 7 -62.663 -83.787 -44.259 39 HB3 LEU 7 HB3 LEU 7 -63.109 -82.217 -43.590 40 HG LEU 7 HG LEU 7 -63.534 -84.693 -41.946 41 HD11 LEU 7 HD11 LEU 7 -60.938 -83.454 -42.718 42 HD12 LEU 7 HD12 LEU 7 -61.295 -85.116 -42.249 43 HD13 LEU 7 HD13 LEU 7 -61.147 -83.864 -41.015 44 HD21 LEU 7 HD21 LEU 7 -62.476 -82.272 -40.698 45 HD22 LEU 7 HD22 LEU 7 -63.940 -83.176 -40.316 46 HD23 LEU 7 HD23 LEU 7 -63.963 -81.958 -41.592 47 H LYS 8 H LYS 8 -66.670 -85.191 -43.509 48 HA LYS 8 HA LYS 8 -67.295 -87.225 -44.411 49 HB2 LYS 8 HB2 LYS 8 -66.040 -86.121 -46.508 50 HB3 LYS 8 HB3 LYS 8 -64.904 -87.428 -46.165 51 HG2 LYS 8 HG2 LYS 8 -66.787 -89.049 -46.213 52 HG3 LYS 8 HG3 LYS 8 -67.884 -87.733 -46.631 53 HD2 LYS 8 HD2 LYS 8 -65.612 -87.663 -48.395 54 HD3 LYS 8 HD3 LYS 8 -66.304 -89.286 -48.401 55 HE2 LYS 8 HE2 LYS 8 -67.391 -87.866 -50.099 56 HE3 LYS 8 HE3 LYS 8 -68.538 -88.335 -48.844 57 HZ1 LYS 8 HZ1 LYS 8 -67.976 -85.785 -49.655 58 HZ2 LYS 8 HZ2 LYS 8 -67.150 -85.935 -48.177 59 HZ3 LYS 8 HZ3 LYS 8 -68.821 -86.229 -48.253 60 HN1 NH2 9 HN1 NH2 9 -65.747 -89.896 -44.187 61 HN2 NH2 9 HN2 NH2 9 -64.301 -89.265 -44.815 62 H1 A2G 10 H1 A2G 10 -69.183 -76.052 -38.215 63 H2 A2G 10 H2 A2G 10 -70.457 -75.174 -40.124 64 HN2 A2G 10 HN2 A2G 10 -68.488 -73.220 -39.088 65 H3 A2G 10 H3 A2G 10 -70.931 -72.747 -38.371 66 HO3 A2G 10 HO3 A2G 10 -71.207 -73.345 -41.042 67 H4 A2G 10 H4 A2G 10 -73.260 -73.436 -38.323 68 HO4 A2G 10 HO4 A2G 10 -73.982 -74.854 -39.678 69 H5 A2G 10 H5 A2G 10 -71.823 -74.373 -36.566 70 H6 A2G 10 H6 A2G 10 -73.446 -76.741 -37.412 71 H8 A2G 10 H8 A2G 10 -67.253 -72.346 -41.577 72 H8A A2G 10 H8A A2G 10 -66.462 -73.892 -41.883 73 H8B A2G 10 H8B A2G 10 -66.496 -73.227 -40.250 74 H14 A2G 10 H14 A2G 10 -73.345 -75.960 -35.835 75 H15 A2G 10 H15 A2G 10 -75.326 -75.510 -36.831 76 H1 A2G 11 H1 A2G 11 -65.883 -80.761 -37.649 77 H2 A2G 11 H2 A2G 11 -66.508 -82.423 -35.950 78 HN2 A2G 11 HN2 A2G 11 -67.773 -79.812 -35.360 79 H3 A2G 11 H3 A2G 11 -65.727 -80.295 -33.939 80 HO3 A2G 11 HO3 A2G 11 -67.482 -81.994 -33.632 81 H4 A2G 11 H4 A2G 11 -63.877 -81.756 -33.351 82 HO4 A2G 11 HO4 A2G 11 -64.418 -83.769 -33.759 83 H5 A2G 11 H5 A2G 11 -63.448 -80.150 -35.157 84 H6 A2G 11 H6 A2G 11 -61.443 -81.088 -35.813 85 H8 A2G 11 H8 A2G 11 -69.905 -79.569 -36.234 86 H8A A2G 11 H8A A2G 11 -70.513 -80.689 -35.014 87 H8B A2G 11 H8B A2G 11 -70.789 -81.014 -36.726 88 H14 A2G 11 H14 A2G 11 -61.871 -82.234 -34.542 89 H15 A2G 11 H15 A2G 11 -61.589 -83.571 -36.169 90 H1 A2G 12 H1 A2G 12 -66.049 -79.967 -43.121 91 H2 A2G 12 H2 A2G 12 -64.136 -78.888 -44.218 92 HN2 A2G 12 HN2 A2G 12 -64.491 -78.016 -41.411 93 H3 A2G 12 H3 A2G 12 -65.304 -76.292 -43.178 94 HO3 A2G 12 HO3 A2G 12 -63.569 -75.654 -44.809 95 H4 A2G 12 H4 A2G 12 -65.788 -75.751 -45.492 96 HO4 A2G 12 HO4 A2G 12 -65.231 -77.087 -47.127 97 H5 A2G 12 H5 A2G 12 -67.547 -76.997 -44.321 98 H6 A2G 12 H6 A2G 12 -67.362 -76.693 -47.019 99 H8 A2G 12 H8 A2G 12 -62.761 -78.296 -40.043 100 H8A A2G 12 H8A A2G 12 -61.251 -78.960 -40.671 101 H8B A2G 12 H8B A2G 12 -62.562 -80.042 -40.199 102 H14 A2G 12 H14 A2G 12 -67.539 -78.444 -46.912 103 H15 A2G 12 H15 A2G 12 -69.383 -76.524 -46.559 Start of MODEL 31 1 H1 ACE 1 H1 ACE 1 -67.203 -70.664 -30.214 2 H2 ACE 1 H2 ACE 1 -66.127 -69.546 -31.051 3 H3 ACE 1 H3 ACE 1 -65.601 -71.197 -30.722 4 HA PRO 2 HA PRO 2 -67.405 -71.082 -34.994 5 HB2 PRO 2 HB2 PRO 2 -65.008 -72.365 -35.951 6 HB3 PRO 2 HB3 PRO 2 -65.592 -70.733 -36.305 7 HG2 PRO 2 HG2 PRO 2 -63.345 -71.347 -34.821 8 HG3 PRO 2 HG3 PRO 2 -64.197 -69.797 -34.810 9 HD2 PRO 2 HD2 PRO 2 -64.267 -71.997 -32.799 10 HD3 PRO 2 HD3 PRO 2 -64.473 -70.246 -32.569 11 H THR 3 H THR 3 -66.992 -73.158 -36.670 12 HA THR 3 HA THR 3 -67.169 -75.656 -35.150 13 HB THR 3 HB THR 3 -69.291 -76.268 -36.308 14 HG21 THR 3 HG21 THR 3 -69.073 -75.051 -33.994 15 HG22 THR 3 HG22 THR 3 -70.661 -75.197 -34.745 16 HG23 THR 3 HG23 THR 3 -69.769 -73.680 -34.857 17 H THR 4 H THR 4 -67.791 -77.448 -36.962 18 HA THR 4 HA THR 4 -66.227 -76.905 -39.395 19 HB THR 4 HB THR 4 -65.314 -79.343 -38.991 20 HG21 THR 4 HG21 THR 4 -64.278 -76.957 -37.430 21 HG22 THR 4 HG22 THR 4 -63.943 -77.279 -39.131 22 HG23 THR 4 HG23 THR 4 -63.341 -78.378 -37.890 23 H THR 5 H THR 5 -66.652 -78.390 -41.130 24 HA THR 5 HA THR 5 -69.387 -79.434 -41.026 25 HB THR 5 HB THR 5 -68.782 -79.802 -43.569 26 HG21 THR 5 HG21 THR 5 -69.484 -77.478 -44.016 27 HG22 THR 5 HG22 THR 5 -69.139 -77.052 -42.340 28 HG23 THR 5 HG23 THR 5 -70.438 -78.185 -42.712 29 HA PRO 6 HA PRO 6 -68.554 -83.699 -40.596 30 HB2 PRO 6 HB2 PRO 6 -69.835 -84.491 -43.050 31 HB3 PRO 6 HB3 PRO 6 -70.467 -84.599 -41.401 32 HG2 PRO 6 HG2 PRO 6 -71.020 -82.624 -43.480 33 HG3 PRO 6 HG3 PRO 6 -71.938 -83.012 -42.019 34 HD2 PRO 6 HD2 PRO 6 -70.531 -80.683 -42.326 35 HD3 PRO 6 HD3 PRO 6 -70.831 -81.436 -40.743 36 H LEU 7 H LEU 7 -66.272 -82.762 -41.281 37 HA LEU 7 HA LEU 7 -64.531 -82.704 -42.919 38 HB2 LEU 7 HB2 LEU 7 -65.006 -85.566 -42.057 39 HB3 LEU 7 HB3 LEU 7 -63.530 -84.995 -42.837 40 HG LEU 7 HG LEU 7 -64.501 -83.484 -40.452 41 HD11 LEU 7 HD11 LEU 7 -63.350 -85.074 -38.942 42 HD12 LEU 7 HD12 LEU 7 -63.087 -86.166 -40.302 43 HD13 LEU 7 HD13 LEU 7 -64.727 -85.831 -39.742 44 HD21 LEU 7 HD21 LEU 7 -61.714 -84.411 -41.168 45 HD22 LEU 7 HD22 LEU 7 -62.184 -83.032 -40.175 46 HD23 LEU 7 HD23 LEU 7 -62.437 -82.990 -41.919 47 H LYS 8 H LYS 8 -64.341 -85.613 -44.173 48 HA LYS 8 HA LYS 8 -65.273 -84.771 -46.776 49 HB2 LYS 8 HB2 LYS 8 -64.414 -87.052 -47.458 50 HB3 LYS 8 HB3 LYS 8 -63.214 -85.991 -46.720 51 HG2 LYS 8 HG2 LYS 8 -63.382 -87.124 -44.610 52 HG3 LYS 8 HG3 LYS 8 -64.801 -88.029 -45.142 53 HD2 LYS 8 HD2 LYS 8 -62.472 -88.352 -46.906 54 HD3 LYS 8 HD3 LYS 8 -62.208 -88.953 -45.269 55 HE2 LYS 8 HE2 LYS 8 -64.600 -89.669 -46.988 56 HE3 LYS 8 HE3 LYS 8 -63.171 -90.685 -46.795 57 HZ1 LYS 8 HZ1 LYS 8 -65.345 -90.184 -44.954 58 HZ2 LYS 8 HZ2 LYS 8 -63.798 -90.154 -44.252 59 HZ3 LYS 8 HZ3 LYS 8 -64.327 -91.534 -45.092 60 HN1 NH2 9 HN1 NH2 9 -67.897 -87.119 -47.387 61 HN2 NH2 9 HN2 NH2 9 -67.092 -85.734 -47.948 62 H1 A2G 10 H1 A2G 10 -69.447 -75.999 -38.505 63 H2 A2G 10 H2 A2G 10 -70.735 -74.817 -40.232 64 HN2 A2G 10 HN2 A2G 10 -68.479 -73.151 -39.283 65 H3 A2G 10 H3 A2G 10 -70.726 -72.488 -38.292 66 HO3 A2G 10 HO3 A2G 10 -72.273 -71.781 -39.985 67 H4 A2G 10 H4 A2G 10 -73.118 -72.864 -38.081 68 HO4 A2G 10 HO4 A2G 10 -74.039 -74.685 -39.104 69 H5 A2G 10 H5 A2G 10 -71.689 -74.114 -36.523 70 H6 A2G 10 H6 A2G 10 -73.548 -76.292 -37.173 71 H8 A2G 10 H8 A2G 10 -67.416 -72.440 -42.004 72 H8A A2G 10 H8A A2G 10 -66.631 -74.015 -42.097 73 H8B A2G 10 H8B A2G 10 -66.641 -73.126 -40.576 74 H14 A2G 10 H14 A2G 10 -73.459 -75.290 -35.725 75 H15 A2G 10 H15 A2G 10 -74.887 -73.974 -36.531 76 H1 A2G 11 H1 A2G 11 -65.332 -80.965 -37.688 77 H2 A2G 11 H2 A2G 11 -65.467 -82.006 -35.466 78 HN2 A2G 11 HN2 A2G 11 -67.841 -80.311 -35.975 79 H3 A2G 11 H3 A2G 11 -66.107 -79.215 -34.471 80 HO3 A2G 11 HO3 A2G 11 -66.308 -81.765 -33.469 81 H4 A2G 11 H4 A2G 11 -63.950 -79.292 -33.354 82 HO4 A2G 11 HO4 A2G 11 -63.360 -81.682 -34.710 83 H5 A2G 11 H5 A2G 11 -63.943 -78.428 -35.652 84 H6 A2G 11 H6 A2G 11 -61.642 -78.462 -35.908 85 H8 A2G 11 H8 A2G 11 -69.694 -81.436 -36.741 86 H8A A2G 11 H8A A2G 11 -69.894 -82.236 -35.183 87 H8B A2G 11 H8B A2G 11 -69.726 -83.196 -36.653 88 H14 A2G 11 H14 A2G 11 -61.756 -79.097 -34.266 89 H15 A2G 11 H15 A2G 11 -60.447 -80.320 -35.836 90 H1 A2G 12 H1 A2G 12 -66.743 -80.417 -43.980 91 H2 A2G 12 H2 A2G 12 -64.565 -79.753 -44.905 92 HN2 A2G 12 HN2 A2G 12 -64.873 -78.866 -42.096 93 H3 A2G 12 H3 A2G 12 -65.223 -77.000 -43.824 94 HO3 A2G 12 HO3 A2G 12 -63.271 -76.533 -45.009 95 H4 A2G 12 H4 A2G 12 -65.380 -76.301 -46.145 96 HO4 A2G 12 HO4 A2G 12 -65.480 -78.589 -47.430 97 H5 A2G 12 H5 A2G 12 -67.450 -77.149 -45.134 98 H6 A2G 12 H6 A2G 12 -67.060 -76.754 -47.769 99 H8 A2G 12 H8 A2G 12 -63.349 -79.614 -40.650 100 H8A A2G 12 H8A A2G 12 -62.088 -80.716 -41.200 101 H8B A2G 12 H8B A2G 12 -63.687 -81.338 -40.794 102 H14 A2G 12 H14 A2G 12 -67.519 -78.456 -47.813 103 H15 A2G 12 H15 A2G 12 -68.988 -76.223 -46.988 Start of MODEL 32 1 H1 ACE 1 H1 ACE 1 -68.984 -70.039 -32.418 2 H2 ACE 1 H2 ACE 1 -70.359 -69.949 -33.520 3 H3 ACE 1 H3 ACE 1 -69.024 -68.807 -33.680 4 HA PRO 2 HA PRO 2 -66.696 -71.159 -36.545 5 HB2 PRO 2 HB2 PRO 2 -64.525 -71.948 -34.825 6 HB3 PRO 2 HB3 PRO 2 -64.548 -70.658 -36.038 7 HG2 PRO 2 HG2 PRO 2 -64.828 -70.490 -33.136 8 HG3 PRO 2 HG3 PRO 2 -64.412 -69.230 -34.306 9 HD2 PRO 2 HD2 PRO 2 -66.815 -69.319 -32.994 10 HD3 PRO 2 HD3 PRO 2 -66.613 -68.596 -34.607 11 H THR 3 H THR 3 -66.926 -73.205 -37.272 12 HA THR 3 HA THR 3 -66.770 -75.454 -35.402 13 HB THR 3 HB THR 3 -68.939 -76.314 -36.635 14 HG21 THR 3 HG21 THR 3 -68.712 -75.924 -34.199 15 HG22 THR 3 HG22 THR 3 -70.289 -75.404 -34.792 16 HG23 THR 3 HG23 THR 3 -69.036 -74.209 -34.454 17 H THR 4 H THR 4 -66.677 -77.539 -36.521 18 HA THR 4 HA THR 4 -65.353 -77.249 -39.136 19 HB THR 4 HB THR 4 -64.469 -79.533 -38.662 20 HG21 THR 4 HG21 THR 4 -62.743 -78.469 -37.687 21 HG22 THR 4 HG22 THR 4 -63.648 -78.328 -36.180 22 HG23 THR 4 HG23 THR 4 -63.794 -77.078 -37.415 23 H THR 5 H THR 5 -66.059 -78.308 -40.937 24 HA THR 5 HA THR 5 -68.758 -79.441 -40.797 25 HB THR 5 HB THR 5 -68.341 -79.416 -43.401 26 HG21 THR 5 HG21 THR 5 -69.089 -77.050 -43.442 27 HG22 THR 5 HG22 THR 5 -68.669 -76.903 -41.735 28 HG23 THR 5 HG23 THR 5 -69.965 -77.991 -42.234 29 HA PRO 6 HA PRO 6 -67.816 -83.694 -41.083 30 HB2 PRO 6 HB2 PRO 6 -69.210 -84.145 -43.562 31 HB3 PRO 6 HB3 PRO 6 -69.751 -84.520 -41.919 32 HG2 PRO 6 HG2 PRO 6 -70.458 -82.272 -43.644 33 HG3 PRO 6 HG3 PRO 6 -71.287 -82.905 -42.215 34 HD2 PRO 6 HD2 PRO 6 -69.952 -80.514 -42.233 35 HD3 PRO 6 HD3 PRO 6 -70.149 -81.506 -40.771 36 H LEU 7 H LEU 7 -65.685 -84.000 -41.544 37 HA LEU 7 HA LEU 7 -64.373 -83.162 -43.899 38 HB2 LEU 7 HB2 LEU 7 -63.675 -85.248 -41.829 39 HB3 LEU 7 HB3 LEU 7 -62.599 -84.813 -43.158 40 HG LEU 7 HG LEU 7 -63.631 -82.449 -41.812 41 HD11 LEU 7 HD11 LEU 7 -62.217 -82.833 -39.736 42 HD12 LEU 7 HD12 LEU 7 -62.165 -84.538 -40.181 43 HD13 LEU 7 HD13 LEU 7 -63.708 -83.771 -39.807 44 HD21 LEU 7 HD21 LEU 7 -61.213 -81.925 -41.730 45 HD22 LEU 7 HD22 LEU 7 -61.682 -82.506 -43.327 46 HD23 LEU 7 HD23 LEU 7 -60.841 -83.581 -42.210 47 H LYS 8 H LYS 8 -62.981 -85.218 -44.943 48 HA LYS 8 HA LYS 8 -63.226 -86.599 -46.798 49 HB2 LYS 8 HB2 LYS 8 -64.063 -88.813 -46.148 50 HB3 LYS 8 HB3 LYS 8 -63.024 -88.144 -44.890 51 HG2 LYS 8 HG2 LYS 8 -64.915 -87.510 -43.549 52 HG3 LYS 8 HG3 LYS 8 -66.038 -87.870 -44.860 53 HD2 LYS 8 HD2 LYS 8 -65.776 -90.185 -44.626 54 HD3 LYS 8 HD3 LYS 8 -64.224 -90.023 -43.804 55 HE2 LYS 8 HE2 LYS 8 -65.241 -89.325 -41.780 56 HE3 LYS 8 HE3 LYS 8 -66.777 -88.980 -42.576 57 HZ1 LYS 8 HZ1 LYS 8 -67.399 -91.111 -42.478 58 HZ2 LYS 8 HZ2 LYS 8 -66.214 -91.256 -41.269 59 HZ3 LYS 8 HZ3 LYS 8 -65.858 -91.700 -42.870 60 HN1 NH2 9 HN1 NH2 9 -66.253 -84.832 -46.255 61 HN2 NH2 9 HN2 NH2 9 -65.834 -84.925 -47.897 62 H1 A2G 10 H1 A2G 10 -70.414 -75.819 -38.020 63 H2 A2G 10 H2 A2G 10 -71.874 -74.248 -39.219 64 HN2 A2G 10 HN2 A2G 10 -69.009 -73.549 -39.495 65 H3 A2G 10 H3 A2G 10 -70.297 -72.085 -37.797 66 HO3 A2G 10 HO3 A2G 10 -71.913 -72.183 -39.976 67 H4 A2G 10 H4 A2G 10 -72.346 -71.615 -36.580 68 HO4 A2G 10 HO4 A2G 10 -74.188 -72.453 -37.155 69 H5 A2G 10 H5 A2G 10 -70.862 -73.297 -35.581 70 H6 A2G 10 H6 A2G 10 -73.474 -74.633 -35.168 71 H8 A2G 10 H8 A2G 10 -68.979 -73.072 -42.454 72 H8A A2G 10 H8A A2G 10 -69.033 -74.812 -42.738 73 H8B A2G 10 H8B A2G 10 -68.041 -74.162 -41.432 74 H14 A2G 10 H14 A2G 10 -72.382 -73.911 -33.986 75 H15 A2G 10 H15 A2G 10 -73.093 -71.843 -34.928 76 H1 A2G 11 H1 A2G 11 -66.217 -80.986 -38.250 77 H2 A2G 11 H2 A2G 11 -66.832 -82.673 -36.572 78 HN2 A2G 11 HN2 A2G 11 -67.848 -79.978 -35.884 79 H3 A2G 11 H3 A2G 11 -65.750 -80.694 -34.548 80 HO3 A2G 11 HO3 A2G 11 -67.570 -82.109 -34.016 81 H4 A2G 11 H4 A2G 11 -63.972 -82.306 -34.163 82 HO4 A2G 11 HO4 A2G 11 -64.258 -84.276 -34.764 83 H5 A2G 11 H5 A2G 11 -63.564 -80.655 -35.934 84 H6 A2G 11 H6 A2G 11 -61.714 -81.721 -36.869 85 H8 A2G 11 H8 A2G 11 -70.010 -79.620 -36.132 86 H8A A2G 11 H8A A2G 11 -70.696 -80.900 -35.132 87 H8B A2G 11 H8B A2G 11 -71.013 -80.870 -36.866 88 H14 A2G 11 H14 A2G 11 -62.054 -82.789 -35.507 89 H15 A2G 11 H15 A2G 11 -61.781 -83.769 -37.673 90 H1 A2G 12 H1 A2G 12 -66.207 -80.025 -43.719 91 H2 A2G 12 H2 A2G 12 -64.040 -79.274 -44.601 92 HN2 A2G 12 HN2 A2G 12 -64.497 -78.424 -41.802 93 H3 A2G 12 H3 A2G 12 -64.846 -76.541 -43.565 94 HO3 A2G 12 HO3 A2G 12 -62.562 -77.606 -44.843 95 H4 A2G 12 H4 A2G 12 -64.980 -75.874 -45.898 96 HO4 A2G 12 HO4 A2G 12 -64.334 -78.585 -46.425 97 H5 A2G 12 H5 A2G 12 -67.033 -76.804 -44.924 98 H6 A2G 12 H6 A2G 12 -66.722 -76.319 -47.487 99 H8 A2G 12 H8 A2G 12 -62.950 -78.961 -40.329 100 H8A A2G 12 H8A A2G 12 -61.479 -79.764 -40.878 101 H8B A2G 12 H8B A2G 12 -62.905 -80.718 -40.472 102 H14 A2G 12 H14 A2G 12 -66.836 -78.072 -47.647 103 H15 A2G 12 H15 A2G 12 -68.889 -77.271 -47.787 Start of MODEL 33 1 H1 ACE 1 H1 ACE 1 -65.618 -70.929 -31.426 2 H2 ACE 1 H2 ACE 1 -64.683 -72.405 -31.668 3 H3 ACE 1 H3 ACE 1 -66.048 -72.399 -30.552 4 HA PRO 2 HA PRO 2 -68.242 -71.605 -34.864 5 HB2 PRO 2 HB2 PRO 2 -66.244 -72.205 -36.849 6 HB3 PRO 2 HB3 PRO 2 -67.113 -70.684 -36.597 7 HG2 PRO 2 HG2 PRO 2 -64.410 -71.439 -35.788 8 HG3 PRO 2 HG3 PRO 2 -65.136 -69.833 -35.945 9 HD2 PRO 2 HD2 PRO 2 -64.524 -70.969 -33.528 10 HD3 PRO 2 HD3 PRO 2 -65.838 -69.789 -33.743 11 H THR 3 H THR 3 -68.886 -73.240 -36.548 12 HA THR 3 HA THR 3 -68.365 -75.936 -35.520 13 HB THR 3 HB THR 3 -70.252 -75.992 -37.640 14 HG21 THR 3 HG21 THR 3 -70.558 -76.038 -34.624 15 HG22 THR 3 HG22 THR 3 -70.298 -77.435 -35.668 16 HG23 THR 3 HG23 THR 3 -71.807 -76.529 -35.767 17 H THR 4 H THR 4 -67.429 -77.545 -36.694 18 HA THR 4 HA THR 4 -66.149 -76.736 -39.221 19 HB THR 4 HB THR 4 -64.677 -78.703 -38.825 20 HG21 THR 4 HG21 THR 4 -64.193 -76.388 -37.902 21 HG22 THR 4 HG22 THR 4 -63.415 -77.713 -37.036 22 HG23 THR 4 HG23 THR 4 -64.855 -76.946 -36.367 23 H THR 5 H THR 5 -66.040 -78.309 -40.968 24 HA THR 5 HA THR 5 -68.587 -79.728 -41.255 25 HB THR 5 HB THR 5 -67.338 -80.027 -43.655 26 HG21 THR 5 HG21 THR 5 -69.579 -79.069 -43.263 27 HG22 THR 5 HG22 THR 5 -68.647 -78.060 -44.369 28 HG23 THR 5 HG23 THR 5 -68.840 -77.576 -42.683 29 HA PRO 6 HA PRO 6 -66.829 -83.738 -40.937 30 HB2 PRO 6 HB2 PRO 6 -68.309 -84.869 -43.135 31 HB3 PRO 6 HB3 PRO 6 -68.675 -84.961 -41.406 32 HG2 PRO 6 HG2 PRO 6 -70.150 -83.578 -43.289 33 HG3 PRO 6 HG3 PRO 6 -70.212 -83.326 -41.538 34 HD2 PRO 6 HD2 PRO 6 -68.849 -81.694 -43.628 35 HD3 PRO 6 HD3 PRO 6 -69.546 -81.188 -42.073 36 H LEU 7 H LEU 7 -64.752 -84.064 -41.519 37 HA LEU 7 HA LEU 7 -63.665 -83.478 -44.066 38 HB2 LEU 7 HB2 LEU 7 -62.644 -85.206 -41.803 39 HB3 LEU 7 HB3 LEU 7 -61.699 -84.806 -43.238 40 HG LEU 7 HG LEU 7 -62.944 -82.738 -41.406 41 HD11 LEU 7 HD11 LEU 7 -61.169 -84.096 -40.280 42 HD12 LEU 7 HD12 LEU 7 -60.706 -82.408 -40.499 43 HD13 LEU 7 HD13 LEU 7 -60.054 -83.646 -41.571 44 HD21 LEU 7 HD21 LEU 7 -61.369 -82.703 -43.928 45 HD22 LEU 7 HD22 LEU 7 -60.909 -81.515 -42.708 46 HD23 LEU 7 HD23 LEU 7 -62.559 -81.547 -43.330 47 H LYS 8 H LYS 8 -66.021 -85.333 -43.995 48 HA LYS 8 HA LYS 8 -65.048 -87.176 -45.994 49 HB2 LYS 8 HB2 LYS 8 -64.543 -88.334 -43.817 50 HB3 LYS 8 HB3 LYS 8 -66.275 -88.339 -43.486 51 HG2 LYS 8 HG2 LYS 8 -66.033 -89.305 -46.112 52 HG3 LYS 8 HG3 LYS 8 -64.741 -90.098 -45.211 53 HD2 LYS 8 HD2 LYS 8 -67.658 -90.013 -44.381 54 HD3 LYS 8 HD3 LYS 8 -66.840 -91.402 -45.101 55 HE2 LYS 8 HE2 LYS 8 -65.213 -90.574 -42.947 56 HE3 LYS 8 HE3 LYS 8 -66.869 -90.552 -42.341 57 HZ1 LYS 8 HZ1 LYS 8 -66.956 -92.756 -42.374 58 HZ2 LYS 8 HZ2 LYS 8 -65.280 -92.758 -42.645 59 HZ3 LYS 8 HZ3 LYS 8 -66.354 -92.844 -43.958 60 HN1 NH2 9 HN1 NH2 9 -68.225 -85.328 -45.585 61 HN2 NH2 9 HN2 NH2 9 -67.265 -85.548 -46.967 62 H1 A2G 10 H1 A2G 10 -72.165 -75.235 -37.779 63 H2 A2G 10 H2 A2G 10 -72.464 -73.330 -39.302 64 HN2 A2G 10 HN2 A2G 10 -69.614 -74.040 -38.928 65 H3 A2G 10 H3 A2G 10 -70.373 -71.955 -37.594 66 HO3 A2G 10 HO3 A2G 10 -70.721 -70.270 -38.992 67 H4 A2G 10 H4 A2G 10 -72.163 -70.473 -36.880 68 HO4 A2G 10 HO4 A2G 10 -73.875 -70.353 -38.053 69 H5 A2G 10 H5 A2G 10 -71.856 -72.511 -35.546 70 H6 A2G 10 H6 A2G 10 -74.831 -72.357 -35.810 71 H8 A2G 10 H8 A2G 10 -68.697 -73.985 -41.679 72 H8A A2G 10 H8A A2G 10 -69.603 -75.417 -42.170 73 H8B A2G 10 H8B A2G 10 -68.774 -75.389 -40.614 74 H14 A2G 10 H14 A2G 10 -73.832 -72.313 -34.357 75 H15 A2G 10 H15 A2G 10 -73.780 -70.234 -34.490 76 H1 A2G 11 H1 A2G 11 -65.853 -80.574 -38.661 77 H2 A2G 11 H2 A2G 11 -66.317 -82.496 -37.202 78 HN2 A2G 11 HN2 A2G 11 -68.043 -80.183 -36.534 79 H3 A2G 11 H3 A2G 11 -66.073 -80.511 -34.925 80 HO3 A2G 11 HO3 A2G 11 -66.477 -83.316 -35.005 81 H4 A2G 11 H4 A2G 11 -64.052 -81.711 -34.309 82 HO4 A2G 11 HO4 A2G 11 -64.711 -83.741 -35.145 83 H5 A2G 11 H5 A2G 11 -63.763 -79.864 -35.898 84 H6 A2G 11 H6 A2G 11 -61.591 -80.410 -36.571 85 H8 A2G 11 H8 A2G 11 -70.121 -80.244 -37.539 86 H8A A2G 11 H8A A2G 11 -70.627 -81.515 -36.427 87 H8B A2G 11 H8B A2G 11 -70.718 -81.779 -38.169 88 H14 A2G 11 H14 A2G 11 -61.874 -81.604 -35.304 89 H15 A2G 11 H15 A2G 11 -61.199 -82.113 -37.734 90 H1 A2G 12 H1 A2G 12 -65.352 -79.797 -44.098 91 H2 A2G 12 H2 A2G 12 -63.363 -78.423 -44.530 92 HN2 A2G 12 HN2 A2G 12 -64.185 -78.400 -41.687 93 H3 A2G 12 H3 A2G 12 -64.823 -76.249 -43.005 94 HO3 A2G 12 HO3 A2G 12 -62.416 -76.527 -43.017 95 H4 A2G 12 H4 A2G 12 -64.986 -75.075 -45.121 96 HO4 A2G 12 HO4 A2G 12 -63.518 -77.299 -46.051 97 H5 A2G 12 H5 A2G 12 -66.824 -76.627 -44.647 98 H6 A2G 12 H6 A2G 12 -66.371 -75.507 -47.024 99 H8 A2G 12 H8 A2G 12 -62.692 -78.991 -40.197 100 H8A A2G 12 H8A A2G 12 -61.022 -79.225 -40.715 101 H8B A2G 12 H8B A2G 12 -62.154 -80.577 -40.750 102 H14 A2G 12 H14 A2G 12 -66.224 -77.191 -47.526 103 H15 A2G 12 H15 A2G 12 -68.277 -77.548 -47.036 Start of MODEL 34 1 H1 ACE 1 H1 ACE 1 -65.598 -69.556 -32.184 2 H2 ACE 1 H2 ACE 1 -64.539 -70.957 -32.023 3 H3 ACE 1 H3 ACE 1 -66.007 -70.845 -31.053 4 HA PRO 2 HA PRO 2 -67.811 -71.167 -35.598 5 HB2 PRO 2 HB2 PRO 2 -65.584 -71.966 -37.242 6 HB3 PRO 2 HB3 PRO 2 -66.588 -70.516 -37.389 7 HG2 PRO 2 HG2 PRO 2 -63.930 -70.827 -36.221 8 HG3 PRO 2 HG3 PRO 2 -64.759 -69.364 -36.774 9 HD2 PRO 2 HD2 PRO 2 -64.305 -69.919 -34.130 10 HD3 PRO 2 HD3 PRO 2 -65.678 -68.939 -34.697 11 H THR 3 H THR 3 -68.350 -73.150 -36.753 12 HA THR 3 HA THR 3 -67.536 -75.528 -35.245 13 HB THR 3 HB THR 3 -69.475 -76.185 -37.203 14 HG21 THR 3 HG21 THR 3 -69.800 -75.569 -34.252 15 HG22 THR 3 HG22 THR 3 -69.242 -77.109 -34.905 16 HG23 THR 3 HG23 THR 3 -70.883 -76.555 -35.235 17 H THR 4 H THR 4 -67.898 -77.547 -36.990 18 HA THR 4 HA THR 4 -66.148 -77.016 -39.297 19 HB THR 4 HB THR 4 -65.420 -79.558 -38.277 20 HG21 THR 4 HG21 THR 4 -64.029 -77.955 -39.588 21 HG22 THR 4 HG22 THR 4 -63.212 -78.523 -38.132 22 HG23 THR 4 HG23 THR 4 -63.936 -76.915 -38.167 23 H THR 5 H THR 5 -66.320 -78.575 -40.986 24 HA THR 5 HA THR 5 -68.938 -79.891 -41.033 25 HB THR 5 HB THR 5 -68.295 -80.221 -43.497 26 HG21 THR 5 HG21 THR 5 -68.395 -77.369 -42.478 27 HG22 THR 5 HG22 THR 5 -69.806 -78.419 -42.604 28 HG23 THR 5 HG23 THR 5 -68.924 -77.949 -44.057 29 HA PRO 6 HA PRO 6 -67.286 -83.946 -40.701 30 HB2 PRO 6 HB2 PRO 6 -69.139 -85.104 -42.581 31 HB3 PRO 6 HB3 PRO 6 -69.231 -85.098 -40.813 32 HG2 PRO 6 HG2 PRO 6 -70.926 -83.734 -42.515 33 HG3 PRO 6 HG3 PRO 6 -70.702 -83.396 -40.793 34 HD2 PRO 6 HD2 PRO 6 -69.618 -81.933 -43.154 35 HD3 PRO 6 HD3 PRO 6 -70.041 -81.320 -41.538 36 H LEU 7 H LEU 7 -65.444 -84.694 -41.566 37 HA LEU 7 HA LEU 7 -64.578 -84.121 -44.196 38 HB2 LEU 7 HB2 LEU 7 -63.573 -86.296 -42.345 39 HB3 LEU 7 HB3 LEU 7 -62.702 -85.584 -43.704 40 HG LEU 7 HG LEU 7 -63.491 -83.386 -42.176 41 HD11 LEU 7 HD11 LEU 7 -64.049 -85.042 -40.362 42 HD12 LEU 7 HD12 LEU 7 -62.802 -83.881 -39.907 43 HD13 LEU 7 HD13 LEU 7 -62.353 -85.527 -40.356 44 HD21 LEU 7 HD21 LEU 7 -61.021 -83.354 -41.578 45 HD22 LEU 7 HD22 LEU 7 -61.364 -83.525 -43.299 46 HD23 LEU 7 HD23 LEU 7 -60.890 -84.933 -42.351 47 H LYS 8 H LYS 8 -65.041 -85.072 -46.070 48 HA LYS 8 HA LYS 8 -66.100 -86.495 -47.552 49 HB2 LYS 8 HB2 LYS 8 -64.527 -88.427 -45.833 50 HB3 LYS 8 HB3 LYS 8 -65.258 -88.843 -47.383 51 HG2 LYS 8 HG2 LYS 8 -63.606 -86.392 -47.407 52 HG3 LYS 8 HG3 LYS 8 -62.716 -87.886 -47.111 53 HD2 LYS 8 HD2 LYS 8 -63.653 -88.885 -49.135 54 HD3 LYS 8 HD3 LYS 8 -64.640 -87.450 -49.415 55 HE2 LYS 8 HE2 LYS 8 -61.875 -86.694 -49.049 56 HE3 LYS 8 HE3 LYS 8 -62.008 -87.905 -50.323 57 HZ1 LYS 8 HZ1 LYS 8 -62.818 -85.174 -50.338 58 HZ2 LYS 8 HZ2 LYS 8 -64.110 -86.200 -50.745 59 HZ3 LYS 8 HZ3 LYS 8 -62.663 -86.258 -51.634 60 HN1 NH2 9 HN1 NH2 9 -67.024 -89.461 -45.487 61 HN2 NH2 9 HN2 NH2 9 -67.876 -89.176 -46.927 62 H1 A2G 10 H1 A2G 10 -71.455 -75.643 -37.407 63 H2 A2G 10 H2 A2G 10 -72.596 -73.888 -38.694 64 HN2 A2G 10 HN2 A2G 10 -69.655 -73.777 -39.035 65 H3 A2G 10 H3 A2G 10 -70.593 -72.001 -37.423 66 HO3 A2G 10 HO3 A2G 10 -72.540 -71.827 -39.422 67 H4 A2G 10 H4 A2G 10 -72.485 -71.057 -36.224 68 HO4 A2G 10 HO4 A2G 10 -74.471 -72.495 -36.419 69 H5 A2G 10 H5 A2G 10 -71.347 -72.938 -35.130 70 H6 A2G 10 H6 A2G 10 -74.191 -73.662 -34.647 71 H8 A2G 10 H8 A2G 10 -69.514 -73.568 -41.965 72 H8A A2G 10 H8A A2G 10 -70.023 -75.239 -42.201 73 H8B A2G 10 H8B A2G 10 -68.888 -74.837 -40.912 74 H14 A2G 10 H14 A2G 10 -72.941 -73.191 -33.496 75 H15 A2G 10 H15 A2G 10 -73.162 -71.038 -34.537 76 H1 A2G 11 H1 A2G 11 -64.175 -80.024 -36.615 77 H2 A2G 11 H2 A2G 11 -65.479 -81.247 -34.930 78 HN2 A2G 11 HN2 A2G 11 -67.185 -80.204 -37.113 79 H3 A2G 11 H3 A2G 11 -67.308 -78.832 -34.940 80 HO3 A2G 11 HO3 A2G 11 -67.830 -80.291 -32.924 81 H4 A2G 11 H4 A2G 11 -66.506 -78.399 -32.691 82 HO4 A2G 11 HO4 A2G 11 -64.645 -80.490 -33.038 83 H5 A2G 11 H5 A2G 11 -65.176 -77.384 -34.483 84 H6 A2G 11 H6 A2G 11 -63.252 -76.898 -33.212 85 H8 A2G 11 H8 A2G 11 -67.655 -81.745 -38.755 86 H8A A2G 11 H8A A2G 11 -68.765 -82.595 -37.679 87 H8B A2G 11 H8B A2G 11 -67.415 -83.460 -38.416 88 H14 A2G 11 H14 A2G 11 -64.413 -77.416 -31.989 89 H15 A2G 11 H15 A2G 11 -63.405 -79.615 -32.619 90 H1 A2G 12 H1 A2G 12 -66.149 -81.031 -43.607 91 H2 A2G 12 H2 A2G 12 -64.011 -80.504 -44.698 92 HN2 A2G 12 HN2 A2G 12 -64.251 -79.126 -42.088 93 H3 A2G 12 H3 A2G 12 -64.703 -77.615 -44.099 94 HO3 A2G 12 HO3 A2G 12 -62.535 -77.874 -44.070 95 H4 A2G 12 H4 A2G 12 -64.935 -77.340 -46.503 96 HO4 A2G 12 HO4 A2G 12 -63.548 -79.563 -46.561 97 H5 A2G 12 H5 A2G 12 -66.958 -78.032 -45.298 98 H6 A2G 12 H6 A2G 12 -66.576 -78.195 -48.003 99 H8 A2G 12 H8 A2G 12 -62.660 -79.562 -40.600 100 H8A A2G 12 H8A A2G 12 -61.392 -80.723 -40.993 101 H8B A2G 12 H8B A2G 12 -62.944 -81.287 -40.374 102 H14 A2G 12 H14 A2G 12 -67.174 -79.816 -47.649 103 H15 A2G 12 H15 A2G 12 -68.397 -77.336 -47.045 Start of MODEL 35 1 H1 ACE 1 H1 ACE 1 -67.194 -69.833 -31.199 2 H2 ACE 1 H2 ACE 1 -66.092 -68.834 -32.148 3 H3 ACE 1 H3 ACE 1 -65.499 -70.297 -31.362 4 HA PRO 2 HA PRO 2 -66.841 -70.781 -35.995 5 HB2 PRO 2 HB2 PRO 2 -64.323 -72.140 -36.318 6 HB3 PRO 2 HB3 PRO 2 -64.857 -70.631 -37.073 7 HG2 PRO 2 HG2 PRO 2 -63.096 -71.043 -34.783 8 HG3 PRO 2 HG3 PRO 2 -63.297 -69.618 -35.811 9 HD2 PRO 2 HD2 PRO 2 -64.163 -69.727 -33.213 10 HD3 PRO 2 HD3 PRO 2 -64.924 -68.703 -34.452 11 H THR 3 H THR 3 -66.784 -72.984 -37.142 12 HA THR 3 HA THR 3 -66.677 -75.272 -35.318 13 HB THR 3 HB THR 3 -68.947 -76.018 -36.017 14 HG21 THR 3 HG21 THR 3 -70.113 -74.662 -34.453 15 HG22 THR 3 HG22 THR 3 -69.109 -73.256 -34.807 16 HG23 THR 3 HG23 THR 3 -68.435 -74.619 -33.915 17 H THR 4 H THR 4 -66.651 -77.314 -36.413 18 HA THR 4 HA THR 4 -65.665 -77.073 -39.178 19 HB THR 4 HB THR 4 -64.731 -79.350 -38.776 20 HG21 THR 4 HG21 THR 4 -63.949 -77.524 -36.504 21 HG22 THR 4 HG22 THR 4 -63.550 -77.132 -38.177 22 HG23 THR 4 HG23 THR 4 -62.920 -78.606 -37.442 23 H THR 5 H THR 5 -66.575 -78.190 -40.857 24 HA THR 5 HA THR 5 -69.254 -79.274 -40.375 25 HB THR 5 HB THR 5 -69.069 -79.371 -43.029 26 HG21 THR 5 HG21 THR 5 -69.535 -77.029 -41.199 27 HG22 THR 5 HG22 THR 5 -70.713 -77.979 -42.103 28 HG23 THR 5 HG23 THR 5 -69.675 -76.833 -42.945 29 HA PRO 6 HA PRO 6 -68.405 -83.555 -40.651 30 HB2 PRO 6 HB2 PRO 6 -70.039 -84.063 -42.968 31 HB3 PRO 6 HB3 PRO 6 -70.418 -84.386 -41.269 32 HG2 PRO 6 HG2 PRO 6 -71.293 -82.195 -42.982 33 HG3 PRO 6 HG3 PRO 6 -71.961 -82.764 -41.446 34 HD2 PRO 6 HD2 PRO 6 -70.611 -80.386 -41.725 35 HD3 PRO 6 HD3 PRO 6 -70.691 -81.298 -40.200 36 H LEU 7 H LEU 7 -66.197 -83.116 -41.355 37 HA LEU 7 HA LEU 7 -65.452 -82.792 -44.063 38 HB2 LEU 7 HB2 LEU 7 -63.206 -83.701 -43.204 39 HB3 LEU 7 HB3 LEU 7 -63.814 -82.221 -42.459 40 HG LEU 7 HG LEU 7 -64.775 -84.688 -41.171 41 HD11 LEU 7 HD11 LEU 7 -61.834 -83.942 -41.065 42 HD12 LEU 7 HD12 LEU 7 -62.497 -85.417 -41.770 43 HD13 LEU 7 HD13 LEU 7 -62.623 -85.136 -40.033 44 HD21 LEU 7 HD21 LEU 7 -63.254 -82.366 -39.974 45 HD22 LEU 7 HD22 LEU 7 -64.460 -83.396 -39.202 46 HD23 LEU 7 HD23 LEU 7 -64.953 -82.222 -40.423 47 H LYS 8 H LYS 8 -63.797 -84.563 -44.964 48 HA LYS 8 HA LYS 8 -63.802 -86.510 -46.210 49 HB2 LYS 8 HB2 LYS 8 -63.687 -87.094 -43.391 50 HB3 LYS 8 HB3 LYS 8 -64.519 -88.397 -44.239 51 HG2 LYS 8 HG2 LYS 8 -61.860 -87.236 -45.113 52 HG3 LYS 8 HG3 LYS 8 -62.027 -88.700 -44.143 53 HD2 LYS 8 HD2 LYS 8 -63.783 -88.855 -46.422 54 HD3 LYS 8 HD3 LYS 8 -62.145 -88.488 -46.964 55 HE2 LYS 8 HE2 LYS 8 -62.846 -90.727 -45.045 56 HE3 LYS 8 HE3 LYS 8 -62.585 -90.945 -46.775 57 HZ1 LYS 8 HZ1 LYS 8 -60.641 -90.109 -44.713 58 HZ2 LYS 8 HZ2 LYS 8 -60.369 -89.797 -46.362 59 HZ3 LYS 8 HZ3 LYS 8 -60.530 -91.397 -45.811 60 HN1 NH2 9 HN1 NH2 9 -66.655 -85.273 -46.288 61 HN2 NH2 9 HN2 NH2 9 -67.641 -86.286 -45.346 62 H1 A2G 10 H1 A2G 10 -69.253 -75.980 -38.260 63 H2 A2G 10 H2 A2G 10 -70.761 -75.092 -39.964 64 HN2 A2G 10 HN2 A2G 10 -68.598 -73.188 -39.289 65 H3 A2G 10 H3 A2G 10 -70.906 -72.588 -38.263 66 HO3 A2G 10 HO3 A2G 10 -71.482 -73.215 -40.827 67 H4 A2G 10 H4 A2G 10 -73.203 -73.210 -37.789 68 HO4 A2G 10 HO4 A2G 10 -74.160 -74.849 -38.763 69 H5 A2G 10 H5 A2G 10 -71.501 -74.118 -36.264 70 H6 A2G 10 H6 A2G 10 -73.335 -76.445 -36.705 71 H8 A2G 10 H8 A2G 10 -67.812 -72.320 -41.938 72 H8A A2G 10 H8A A2G 10 -67.122 -73.871 -42.414 73 H8B A2G 10 H8B A2G 10 -66.834 -73.238 -40.793 74 H14 A2G 10 H14 A2G 10 -72.914 -75.623 -35.202 75 H15 A2G 10 H15 A2G 10 -74.672 -74.777 -37.244 76 H1 A2G 11 H1 A2G 11 -66.407 -80.795 -38.135 77 H2 A2G 11 H2 A2G 11 -66.866 -82.437 -36.377 78 HN2 A2G 11 HN2 A2G 11 -67.754 -79.709 -35.648 79 H3 A2G 11 H3 A2G 11 -65.554 -80.463 -34.488 80 HO3 A2G 11 HO3 A2G 11 -66.979 -81.589 -33.345 81 H4 A2G 11 H4 A2G 11 -63.748 -82.066 -34.289 82 HO4 A2G 11 HO4 A2G 11 -63.866 -84.020 -35.125 83 H5 A2G 11 H5 A2G 11 -63.518 -80.450 -36.121 84 H6 A2G 11 H6 A2G 11 -61.858 -81.599 -37.369 85 H8 A2G 11 H8 A2G 11 -70.004 -79.341 -35.958 86 H8A A2G 11 H8A A2G 11 -70.394 -80.331 -34.552 87 H8B A2G 11 H8B A2G 11 -71.083 -80.725 -36.127 88 H14 A2G 11 H14 A2G 11 -61.908 -82.454 -35.828 89 H15 A2G 11 H15 A2G 11 -62.000 -83.970 -37.441 90 H1 A2G 12 H1 A2G 12 -66.915 -79.887 -43.546 91 H2 A2G 12 H2 A2G 12 -64.972 -79.015 -44.771 92 HN2 A2G 12 HN2 A2G 12 -65.056 -78.110 -41.955 93 H3 A2G 12 H3 A2G 12 -65.821 -76.311 -43.703 94 HO3 A2G 12 HO3 A2G 12 -63.493 -77.155 -44.291 95 H4 A2G 12 H4 A2G 12 -66.334 -75.755 -46.015 96 HO4 A2G 12 HO4 A2G 12 -64.837 -77.901 -46.481 97 H5 A2G 12 H5 A2G 12 -68.134 -76.779 -44.708 98 H6 A2G 12 H6 A2G 12 -68.441 -76.290 -47.178 99 H8 A2G 12 H8 A2G 12 -63.295 -78.539 -40.685 100 H8A A2G 12 H8A A2G 12 -61.805 -79.093 -41.448 101 H8B A2G 12 H8B A2G 12 -63.042 -80.259 -40.982 102 H14 A2G 12 H14 A2G 12 -68.117 -77.998 -47.481 103 H15 A2G 12 H15 A2G 12 -70.297 -76.779 -46.233 Start of MODEL 36 1 H1 ACE 1 H1 ACE 1 -64.755 -69.160 -33.740 2 H2 ACE 1 H2 ACE 1 -66.109 -69.250 -32.614 3 H3 ACE 1 H3 ACE 1 -66.184 -68.159 -33.998 4 HA PRO 2 HA PRO 2 -68.103 -70.971 -36.747 5 HB2 PRO 2 HB2 PRO 2 -65.879 -71.463 -38.512 6 HB3 PRO 2 HB3 PRO 2 -67.270 -70.399 -38.773 7 HG2 PRO 2 HG2 PRO 2 -64.550 -69.738 -37.939 8 HG3 PRO 2 HG3 PRO 2 -65.807 -68.697 -38.621 9 HD2 PRO 2 HD2 PRO 2 -65.002 -68.554 -36.007 10 HD3 PRO 2 HD3 PRO 2 -66.639 -68.116 -36.546 11 H THR 3 H THR 3 -68.360 -73.188 -37.071 12 HA THR 3 HA THR 3 -66.519 -74.887 -35.552 13 HB THR 3 HB THR 3 -68.682 -76.402 -36.579 14 HG21 THR 3 HG21 THR 3 -67.637 -76.758 -34.406 15 HG22 THR 3 HG22 THR 3 -69.351 -76.414 -34.169 16 HG23 THR 3 HG23 THR 3 -68.148 -75.159 -33.866 17 H THR 4 H THR 4 -66.829 -77.317 -36.705 18 HA THR 4 HA THR 4 -65.411 -76.967 -39.261 19 HB THR 4 HB THR 4 -64.690 -79.326 -38.898 20 HG21 THR 4 HG21 THR 4 -63.493 -77.236 -37.958 21 HG22 THR 4 HG22 THR 4 -63.063 -78.799 -37.262 22 HG23 THR 4 HG23 THR 4 -64.160 -77.721 -36.399 23 H THR 5 H THR 5 -65.998 -78.144 -41.104 24 HA THR 5 HA THR 5 -68.834 -78.869 -41.197 25 HB THR 5 HB THR 5 -68.092 -79.105 -43.747 26 HG21 THR 5 HG21 THR 5 -68.644 -76.719 -44.027 27 HG22 THR 5 HG22 THR 5 -68.386 -76.454 -42.302 28 HG23 THR 5 HG23 THR 5 -69.716 -77.475 -42.848 29 HA PRO 6 HA PRO 6 -68.553 -83.225 -41.211 30 HB2 PRO 6 HB2 PRO 6 -69.645 -83.614 -43.849 31 HB3 PRO 6 HB3 PRO 6 -70.459 -83.802 -42.288 32 HG2 PRO 6 HG2 PRO 6 -70.560 -81.584 -44.184 33 HG3 PRO 6 HG3 PRO 6 -71.668 -81.998 -42.867 34 HD2 PRO 6 HD2 PRO 6 -69.986 -79.837 -42.783 35 HD3 PRO 6 HD3 PRO 6 -70.536 -80.699 -41.328 36 H LEU 7 H LEU 7 -66.243 -83.300 -41.335 37 HA LEU 7 HA LEU 7 -64.762 -83.104 -43.735 38 HB2 LEU 7 HB2 LEU 7 -62.949 -84.148 -42.482 39 HB3 LEU 7 HB3 LEU 7 -63.762 -82.955 -41.469 40 HG LEU 7 HG LEU 7 -64.472 -85.896 -41.434 41 HD11 LEU 7 HD11 LEU 7 -62.382 -84.341 -39.937 42 HD12 LEU 7 HD12 LEU 7 -62.282 -85.963 -40.620 43 HD13 LEU 7 HD13 LEU 7 -63.205 -85.683 -39.143 44 HD21 LEU 7 HD21 LEU 7 -65.170 -84.945 -39.030 45 HD22 LEU 7 HD22 LEU 7 -66.249 -84.824 -40.420 46 HD23 LEU 7 HD23 LEU 7 -65.272 -83.436 -39.937 47 H LYS 8 H LYS 8 -63.737 -84.795 -44.946 48 HA LYS 8 HA LYS 8 -63.973 -86.637 -46.323 49 HB2 LYS 8 HB2 LYS 8 -63.901 -87.609 -43.507 50 HB3 LYS 8 HB3 LYS 8 -64.288 -88.780 -44.768 51 HG2 LYS 8 HG2 LYS 8 -61.957 -86.931 -45.155 52 HG3 LYS 8 HG3 LYS 8 -61.772 -88.345 -44.118 53 HD2 LYS 8 HD2 LYS 8 -63.067 -88.757 -46.774 54 HD3 LYS 8 HD3 LYS 8 -61.326 -88.470 -46.756 55 HE2 LYS 8 HE2 LYS 8 -60.985 -90.326 -45.224 56 HE3 LYS 8 HE3 LYS 8 -62.725 -90.565 -45.069 57 HZ1 LYS 8 HZ1 LYS 8 -62.341 -92.060 -46.691 58 HZ2 LYS 8 HZ2 LYS 8 -60.936 -91.284 -47.248 59 HZ3 LYS 8 HZ3 LYS 8 -62.467 -90.701 -47.698 60 HN1 NH2 9 HN1 NH2 9 -67.311 -87.428 -44.236 61 HN2 NH2 9 HN2 NH2 9 -66.332 -88.761 -44.616 62 H1 A2G 10 H1 A2G 10 -70.709 -76.336 -36.253 63 H2 A2G 10 H2 A2G 10 -72.649 -75.167 -37.209 64 HN2 A2G 10 HN2 A2G 10 -70.121 -74.477 -38.590 65 H3 A2G 10 H3 A2G 10 -70.960 -72.666 -36.940 66 HO3 A2G 10 HO3 A2G 10 -73.392 -72.035 -37.395 67 H4 A2G 10 H4 A2G 10 -72.550 -71.969 -35.239 68 HO4 A2G 10 HO4 A2G 10 -74.215 -73.414 -36.319 69 H5 A2G 10 H5 A2G 10 -70.640 -73.295 -34.450 70 H6 A2G 10 H6 A2G 10 -73.119 -74.313 -33.040 71 H8 A2G 10 H8 A2G 10 -70.702 -74.652 -41.223 72 H8A A2G 10 H8A A2G 10 -71.307 -76.296 -41.423 73 H8B A2G 10 H8B A2G 10 -69.825 -76.006 -40.513 74 H14 A2G 10 H14 A2G 10 -71.539 -73.965 -32.336 75 H15 A2G 10 H15 A2G 10 -72.880 -72.250 -31.898 76 H1 A2G 11 H1 A2G 11 -66.520 -80.686 -38.636 77 H2 A2G 11 H2 A2G 11 -67.344 -82.409 -37.091 78 HN2 A2G 11 HN2 A2G 11 -68.200 -79.676 -36.343 79 H3 A2G 11 H3 A2G 11 -66.252 -80.624 -34.898 80 HO3 A2G 11 HO3 A2G 11 -68.077 -81.785 -34.308 81 H4 A2G 11 H4 A2G 11 -64.596 -82.356 -34.515 82 HO4 A2G 11 HO4 A2G 11 -66.190 -83.697 -36.360 83 H5 A2G 11 H5 A2G 11 -63.972 -80.669 -36.183 84 H6 A2G 11 H6 A2G 11 -62.268 -81.923 -37.353 85 H8 A2G 11 H8 A2G 11 -70.402 -79.199 -37.049 86 H8A A2G 11 H8A A2G 11 -70.914 -80.117 -35.632 87 H8B A2G 11 H8B A2G 11 -71.513 -80.556 -37.232 88 H14 A2G 11 H14 A2G 11 -62.485 -82.677 -35.774 89 H15 A2G 11 H15 A2G 11 -62.725 -83.795 -38.142 90 H1 A2G 12 H1 A2G 12 -65.946 -79.876 -43.800 91 H2 A2G 12 H2 A2G 12 -63.717 -79.234 -44.614 92 HN2 A2G 12 HN2 A2G 12 -64.275 -78.243 -41.880 93 H3 A2G 12 H3 A2G 12 -64.479 -76.434 -43.742 94 HO3 A2G 12 HO3 A2G 12 -62.159 -77.707 -44.629 95 H4 A2G 12 H4 A2G 12 -64.484 -75.872 -46.107 96 HO4 A2G 12 HO4 A2G 12 -63.372 -77.116 -47.350 97 H5 A2G 12 H5 A2G 12 -66.609 -76.692 -45.189 98 H6 A2G 12 H6 A2G 12 -66.132 -76.365 -47.771 99 H8 A2G 12 H8 A2G 12 -62.867 -78.831 -40.283 100 H8A A2G 12 H8A A2G 12 -61.407 -79.728 -40.703 101 H8B A2G 12 H8B A2G 12 -62.920 -80.588 -40.417 102 H14 A2G 12 H14 A2G 12 -66.370 -78.112 -47.825 103 H15 A2G 12 H15 A2G 12 -68.197 -76.167 -47.627 Start of MODEL 37 1 H1 ACE 1 H1 ACE 1 -67.563 -70.799 -31.469 2 H2 ACE 1 H2 ACE 1 -69.285 -70.471 -31.673 3 H3 ACE 1 H3 ACE 1 -68.090 -69.358 -32.338 4 HA PRO 2 HA PRO 2 -67.818 -71.211 -36.293 5 HB2 PRO 2 HB2 PRO 2 -65.191 -72.373 -36.074 6 HB3 PRO 2 HB3 PRO 2 -65.663 -70.881 -36.901 7 HG2 PRO 2 HG2 PRO 2 -64.425 -71.245 -34.282 8 HG3 PRO 2 HG3 PRO 2 -64.502 -69.804 -35.305 9 HD2 PRO 2 HD2 PRO 2 -65.912 -70.058 -32.970 10 HD3 PRO 2 HD3 PRO 2 -66.460 -69.056 -34.333 11 H THR 3 H THR 3 -67.369 -73.356 -37.445 12 HA THR 3 HA THR 3 -67.473 -75.695 -35.685 13 HB THR 3 HB THR 3 -69.470 -76.134 -37.646 14 HG21 THR 3 HG21 THR 3 -69.429 -77.164 -35.437 15 HG22 THR 3 HG22 THR 3 -70.928 -76.254 -35.618 16 HG23 THR 3 HG23 THR 3 -69.601 -75.587 -34.666 17 H THR 4 H THR 4 -66.984 -77.663 -36.752 18 HA THR 4 HA THR 4 -65.524 -77.269 -39.278 19 HB THR 4 HB THR 4 -64.442 -79.441 -38.704 20 HG21 THR 4 HG21 THR 4 -64.117 -76.916 -37.453 21 HG22 THR 4 HG22 THR 4 -62.909 -78.189 -37.633 22 HG23 THR 4 HG23 THR 4 -63.925 -78.135 -36.192 23 H THR 5 H THR 5 -65.968 -78.450 -41.096 24 HA THR 5 HA THR 5 -68.557 -79.821 -41.130 25 HB THR 5 HB THR 5 -67.872 -79.841 -43.701 26 HG21 THR 5 HG21 THR 5 -69.797 -78.638 -43.088 27 HG22 THR 5 HG22 THR 5 -68.742 -77.386 -43.743 28 HG23 THR 5 HG23 THR 5 -68.901 -77.581 -41.998 29 HA PRO 6 HA PRO 6 -67.254 -83.986 -41.232 30 HB2 PRO 6 HB2 PRO 6 -68.308 -84.592 -43.844 31 HB3 PRO 6 HB3 PRO 6 -69.004 -84.986 -42.264 32 HG2 PRO 6 HG2 PRO 6 -69.688 -82.832 -44.113 33 HG3 PRO 6 HG3 PRO 6 -70.623 -83.511 -42.774 34 HD2 PRO 6 HD2 PRO 6 -69.497 -81.016 -42.698 35 HD3 PRO 6 HD3 PRO 6 -69.780 -82.000 -41.244 36 H LEU 7 H LEU 7 -65.052 -84.042 -41.428 37 HA LEU 7 HA LEU 7 -63.587 -83.171 -43.687 38 HB2 LEU 7 HB2 LEU 7 -62.638 -85.263 -41.733 39 HB3 LEU 7 HB3 LEU 7 -61.681 -84.068 -42.607 40 HG LEU 7 HG LEU 7 -63.487 -82.492 -41.243 41 HD11 LEU 7 HD11 LEU 7 -62.530 -84.583 -39.282 42 HD12 LEU 7 HD12 LEU 7 -64.126 -84.667 -40.027 43 HD13 LEU 7 HD13 LEU 7 -63.698 -83.290 -39.012 44 HD21 LEU 7 HD21 LEU 7 -61.489 -82.160 -39.656 45 HD22 LEU 7 HD22 LEU 7 -61.182 -81.906 -41.374 46 HD23 LEU 7 HD23 LEU 7 -60.678 -83.409 -40.601 47 H LYS 8 H LYS 8 -65.808 -85.124 -44.186 48 HA LYS 8 HA LYS 8 -64.519 -87.542 -45.104 49 HB2 LYS 8 HB2 LYS 8 -67.315 -86.459 -45.529 50 HB3 LYS 8 HB3 LYS 8 -66.767 -88.053 -46.050 51 HG2 LYS 8 HG2 LYS 8 -66.030 -87.667 -43.299 52 HG3 LYS 8 HG3 LYS 8 -67.747 -87.312 -43.489 53 HD2 LYS 8 HD2 LYS 8 -68.128 -89.466 -44.550 54 HD3 LYS 8 HD3 LYS 8 -66.400 -89.817 -44.537 55 HE2 LYS 8 HE2 LYS 8 -67.332 -90.981 -42.662 56 HE3 LYS 8 HE3 LYS 8 -66.491 -89.578 -42.005 57 HZ1 LYS 8 HZ1 LYS 8 -69.390 -89.616 -42.631 58 HZ2 LYS 8 HZ2 LYS 8 -68.533 -88.411 -41.797 59 HZ3 LYS 8 HZ3 LYS 8 -68.756 -89.940 -41.091 60 HN1 NH2 9 HN1 NH2 9 -64.560 -88.025 -47.824 61 HN2 NH2 9 HN2 NH2 9 -65.697 -86.973 -48.520 62 H1 A2G 10 H1 A2G 10 -71.403 -75.408 -37.797 63 H2 A2G 10 H2 A2G 10 -72.333 -73.570 -39.138 64 HN2 A2G 10 HN2 A2G 10 -69.399 -73.782 -39.478 65 H3 A2G 10 H3 A2G 10 -70.131 -71.889 -37.912 66 HO3 A2G 10 HO3 A2G 10 -72.311 -70.935 -39.380 67 H4 A2G 10 H4 A2G 10 -71.904 -70.704 -36.748 68 HO4 A2G 10 HO4 A2G 10 -73.463 -71.224 -38.467 69 H5 A2G 10 H5 A2G 10 -70.989 -72.669 -35.598 70 H6 A2G 10 H6 A2G 10 -74.006 -72.671 -35.306 71 H8 A2G 10 H8 A2G 10 -69.077 -73.627 -42.171 72 H8A A2G 10 H8A A2G 10 -69.974 -75.022 -42.773 73 H8B A2G 10 H8B A2G 10 -68.864 -75.206 -41.414 74 H14 A2G 10 H14 A2G 10 -72.813 -73.068 -34.069 75 H15 A2G 10 H15 A2G 10 -73.856 -70.746 -34.494 76 H1 A2G 11 H1 A2G 11 -66.043 -81.065 -38.393 77 H2 A2G 11 H2 A2G 11 -66.619 -82.789 -36.740 78 HN2 A2G 11 HN2 A2G 11 -67.953 -80.198 -36.222 79 H3 A2G 11 H3 A2G 11 -65.925 -80.690 -34.667 80 HO3 A2G 11 HO3 A2G 11 -67.605 -82.225 -34.196 81 H4 A2G 11 H4 A2G 11 -64.016 -82.080 -34.112 82 HO4 A2G 11 HO4 A2G 11 -65.352 -83.973 -35.113 83 H5 A2G 11 H5 A2G 11 -63.625 -80.438 -35.890 84 H6 A2G 11 H6 A2G 11 -61.697 -81.469 -36.929 85 H8 A2G 11 H8 A2G 11 -70.139 -80.143 -37.081 86 H8A A2G 11 H8A A2G 11 -70.621 -81.027 -35.634 87 H8B A2G 11 H8B A2G 11 -71.006 -81.671 -37.229 88 H14 A2G 11 H14 A2G 11 -61.832 -82.116 -35.294 89 H15 A2G 11 H15 A2G 11 -61.843 -83.436 -37.590 90 H1 A2G 12 H1 A2G 12 -65.649 -80.141 -43.806 91 H2 A2G 12 H2 A2G 12 -63.552 -79.085 -44.534 92 HN2 A2G 12 HN2 A2G 12 -64.279 -78.167 -41.814 93 H3 A2G 12 H3 A2G 12 -64.837 -76.492 -43.632 94 HO3 A2G 12 HO3 A2G 12 -62.569 -76.522 -45.182 95 H4 A2G 12 H4 A2G 12 -64.878 -75.882 -45.985 96 HO4 A2G 12 HO4 A2G 12 -63.220 -78.014 -46.145 97 H5 A2G 12 H5 A2G 12 -66.842 -77.096 -45.153 98 H6 A2G 12 H6 A2G 12 -66.285 -76.668 -47.739 99 H8 A2G 12 H8 A2G 12 -62.825 -78.639 -40.199 100 H8A A2G 12 H8A A2G 12 -61.380 -79.577 -40.572 101 H8B A2G 12 H8B A2G 12 -62.908 -80.399 -40.257 102 H14 A2G 12 H14 A2G 12 -66.348 -78.430 -47.781 103 H15 A2G 12 H15 A2G 12 -68.382 -77.106 -48.062 Start of MODEL 38 1 H1 ACE 1 H1 ACE 1 -67.723 -68.803 -33.483 2 H2 ACE 1 H2 ACE 1 -66.909 -70.012 -32.490 3 H3 ACE 1 H3 ACE 1 -68.671 -69.935 -32.519 4 HA PRO 2 HA PRO 2 -67.616 -71.215 -37.132 5 HB2 PRO 2 HB2 PRO 2 -64.844 -71.997 -37.083 6 HB3 PRO 2 HB3 PRO 2 -65.606 -70.725 -38.050 7 HG2 PRO 2 HG2 PRO 2 -64.058 -70.511 -35.583 8 HG3 PRO 2 HG3 PRO 2 -64.445 -69.273 -36.786 9 HD2 PRO 2 HD2 PRO 2 -65.549 -69.321 -34.279 10 HD3 PRO 2 HD3 PRO 2 -66.375 -68.626 -35.692 11 H THR 3 H THR 3 -68.182 -73.283 -37.578 12 HA THR 3 HA THR 3 -67.633 -75.326 -35.549 13 HB THR 3 HB THR 3 -69.253 -76.375 -37.619 14 HG21 THR 3 HG21 THR 3 -70.987 -76.291 -35.841 15 HG22 THR 3 HG22 THR 3 -69.934 -75.244 -34.889 16 HG23 THR 3 HG23 THR 3 -69.449 -76.905 -35.234 17 H THR 4 H THR 4 -67.751 -77.639 -36.935 18 HA THR 4 HA THR 4 -65.654 -77.509 -38.996 19 HB THR 4 HB THR 4 -64.486 -79.422 -37.911 20 HG21 THR 4 HG21 THR 4 -64.768 -77.112 -35.980 21 HG22 THR 4 HG22 THR 4 -63.896 -76.969 -37.506 22 HG23 THR 4 HG23 THR 4 -63.342 -78.106 -36.278 23 H THR 5 H THR 5 -65.831 -79.039 -40.582 24 HA THR 5 HA THR 5 -68.298 -80.620 -40.571 25 HB THR 5 HB THR 5 -67.219 -81.053 -43.021 26 HG21 THR 5 HG21 THR 5 -68.647 -79.185 -43.787 27 HG22 THR 5 HG22 THR 5 -68.743 -78.586 -42.130 28 HG23 THR 5 HG23 THR 5 -69.459 -80.143 -42.549 29 HA PRO 6 HA PRO 6 -66.276 -84.484 -40.062 30 HB2 PRO 6 HB2 PRO 6 -67.818 -85.875 -42.063 31 HB3 PRO 6 HB3 PRO 6 -68.069 -85.845 -40.311 32 HG2 PRO 6 HG2 PRO 6 -69.740 -84.709 -42.192 33 HG3 PRO 6 HG3 PRO 6 -69.710 -84.317 -40.467 34 HD2 PRO 6 HD2 PRO 6 -68.582 -82.787 -42.765 35 HD3 PRO 6 HD3 PRO 6 -69.213 -82.195 -41.211 36 H LEU 7 H LEU 7 -64.990 -82.741 -42.010 37 HA LEU 7 HA LEU 7 -63.832 -82.862 -44.088 38 HB2 LEU 7 HB2 LEU 7 -62.487 -84.909 -42.308 39 HB3 LEU 7 HB3 LEU 7 -61.730 -83.973 -43.599 40 HG LEU 7 HG LEU 7 -62.813 -81.966 -42.124 41 HD11 LEU 7 HD11 LEU 7 -62.636 -82.413 -39.788 42 HD12 LEU 7 HD12 LEU 7 -61.842 -83.963 -40.070 43 HD13 LEU 7 HD13 LEU 7 -63.552 -83.765 -40.455 44 HD21 LEU 7 HD21 LEU 7 -60.474 -81.897 -41.017 45 HD22 LEU 7 HD22 LEU 7 -60.537 -81.868 -42.779 46 HD23 LEU 7 HD23 LEU 7 -60.143 -83.366 -41.935 47 H LYS 8 H LYS 8 -65.215 -83.766 -45.635 48 HA LYS 8 HA LYS 8 -64.442 -86.396 -46.543 49 HB2 LYS 8 HB2 LYS 8 -66.522 -87.496 -46.360 50 HB3 LYS 8 HB3 LYS 8 -66.294 -86.731 -44.787 51 HG2 LYS 8 HG2 LYS 8 -67.589 -84.728 -45.801 52 HG3 LYS 8 HG3 LYS 8 -68.094 -85.871 -47.046 53 HD2 LYS 8 HD2 LYS 8 -68.600 -87.360 -44.851 54 HD3 LYS 8 HD3 LYS 8 -68.842 -85.749 -44.172 55 HE2 LYS 8 HE2 LYS 8 -70.223 -86.923 -46.602 56 HE3 LYS 8 HE3 LYS 8 -70.964 -86.524 -45.051 57 HZ1 LYS 8 HZ1 LYS 8 -69.770 -84.209 -45.761 58 HZ2 LYS 8 HZ2 LYS 8 -71.412 -84.574 -46.004 59 HZ3 LYS 8 HZ3 LYS 8 -70.292 -84.808 -47.260 60 HN1 NH2 9 HN1 NH2 9 -65.801 -83.465 -48.803 61 HN2 NH2 9 HN2 NH2 9 -64.866 -83.373 -47.388 62 H1 A2G 10 H1 A2G 10 -71.174 -75.896 -38.262 63 H2 A2G 10 H2 A2G 10 -72.265 -74.337 -39.817 64 HN2 A2G 10 HN2 A2G 10 -69.319 -74.066 -39.946 65 H3 A2G 10 H3 A2G 10 -70.460 -72.236 -38.589 66 HO3 A2G 10 HO3 A2G 10 -71.140 -72.180 -40.889 67 H4 A2G 10 H4 A2G 10 -72.485 -71.269 -37.658 68 HO4 A2G 10 HO4 A2G 10 -74.193 -73.279 -38.061 69 H5 A2G 10 H5 A2G 10 -71.373 -72.972 -36.282 70 H6 A2G 10 H6 A2G 10 -74.210 -73.791 -35.952 71 H8 A2G 10 H8 A2G 10 -68.913 -74.308 -42.815 72 H8A A2G 10 H8A A2G 10 -69.327 -76.022 -42.870 73 H8B A2G 10 H8B A2G 10 -68.333 -75.397 -41.555 74 H14 A2G 10 H14 A2G 10 -73.089 -73.119 -34.768 75 H15 A2G 10 H15 A2G 10 -73.698 -71.168 -35.273 76 H1 A2G 11 H1 A2G 11 -65.904 -81.090 -37.479 77 H2 A2G 11 H2 A2G 11 -66.732 -82.529 -35.668 78 HN2 A2G 11 HN2 A2G 11 -68.270 -80.003 -35.806 79 H3 A2G 11 H3 A2G 11 -66.531 -80.048 -33.939 80 HO3 A2G 11 HO3 A2G 11 -67.083 -82.725 -33.219 81 H4 A2G 11 H4 A2G 11 -64.733 -81.198 -32.777 82 HO4 A2G 11 HO4 A2G 11 -64.734 -83.209 -34.730 83 H5 A2G 11 H5 A2G 11 -64.072 -79.850 -34.719 84 H6 A2G 11 H6 A2G 11 -61.910 -80.749 -34.993 85 H8 A2G 11 H8 A2G 11 -70.161 -80.153 -37.150 86 H8A A2G 11 H8A A2G 11 -70.967 -81.034 -35.853 87 H8B A2G 11 H8B A2G 11 -70.849 -81.747 -37.461 88 H14 A2G 11 H14 A2G 11 -62.438 -81.451 -33.463 89 H15 A2G 11 H15 A2G 11 -63.330 -83.052 -35.309 90 H1 A2G 12 H1 A2G 12 -65.012 -80.868 -42.990 91 H2 A2G 12 H2 A2G 12 -63.131 -79.486 -43.757 92 HN2 A2G 12 HN2 A2G 12 -64.242 -78.474 -41.205 93 H3 A2G 12 H3 A2G 12 -64.976 -77.135 -43.260 94 HO3 A2G 12 HO3 A2G 12 -63.227 -76.010 -43.445 95 H4 A2G 12 H4 A2G 12 -64.976 -76.831 -45.671 96 HO4 A2G 12 HO4 A2G 12 -62.840 -78.365 -45.519 97 H5 A2G 12 H5 A2G 12 -66.705 -78.326 -44.774 98 H6 A2G 12 H6 A2G 12 -65.962 -78.151 -47.390 99 H8 A2G 12 H8 A2G 12 -62.797 -78.366 -39.481 100 H8A A2G 12 H8A A2G 12 -61.174 -79.034 -39.659 101 H8B A2G 12 H8B A2G 12 -62.540 -80.106 -39.355 102 H14 A2G 12 H14 A2G 12 -65.857 -79.894 -47.145 103 H15 A2G 12 H15 A2G 12 -67.977 -78.885 -47.763 Start of MODEL 39 1 H1 ACE 1 H1 ACE 1 -68.649 -69.054 -32.658 2 H2 ACE 1 H2 ACE 1 -67.358 -68.175 -33.478 3 H3 ACE 1 H3 ACE 1 -66.963 -69.468 -32.346 4 HA PRO 2 HA PRO 2 -67.177 -70.740 -37.020 5 HB2 PRO 2 HB2 PRO 2 -64.653 -72.035 -36.516 6 HB3 PRO 2 HB3 PRO 2 -64.994 -70.690 -37.615 7 HG2 PRO 2 HG2 PRO 2 -63.827 -70.656 -34.938 8 HG3 PRO 2 HG3 PRO 2 -63.775 -69.426 -36.210 9 HD2 PRO 2 HD2 PRO 2 -65.235 -69.140 -33.909 10 HD3 PRO 2 HD3 PRO 2 -65.682 -68.368 -35.447 11 H THR 3 H THR 3 -66.974 -73.063 -37.757 12 HA THR 3 HA THR 3 -67.210 -75.050 -35.619 13 HB THR 3 HB THR 3 -69.331 -75.925 -36.586 14 HG21 THR 3 HG21 THR 3 -70.724 -74.396 -35.455 15 HG22 THR 3 HG22 THR 3 -69.718 -73.016 -35.898 16 HG23 THR 3 HG23 THR 3 -69.155 -74.164 -34.684 17 H THR 4 H THR 4 -66.932 -77.209 -36.343 18 HA THR 4 HA THR 4 -65.528 -77.378 -38.927 19 HB THR 4 HB THR 4 -64.617 -79.511 -38.008 20 HG21 THR 4 HG21 THR 4 -63.029 -78.463 -36.625 21 HG22 THR 4 HG22 THR 4 -64.215 -77.339 -35.960 22 HG23 THR 4 HG23 THR 4 -63.633 -77.132 -37.611 23 H THR 5 H THR 5 -65.685 -79.845 -39.731 24 HA THR 5 HA THR 5 -68.453 -80.794 -39.608 25 HB THR 5 HB THR 5 -68.311 -80.988 -42.207 26 HG21 THR 5 HG21 THR 5 -68.687 -78.290 -40.874 27 HG22 THR 5 HG22 THR 5 -69.910 -79.558 -40.957 28 HG23 THR 5 HG23 THR 5 -69.349 -78.776 -42.434 29 HA PRO 6 HA PRO 6 -66.826 -84.847 -39.533 30 HB2 PRO 6 HB2 PRO 6 -68.357 -85.810 -41.774 31 HB3 PRO 6 HB3 PRO 6 -68.665 -86.061 -40.050 32 HG2 PRO 6 HG2 PRO 6 -69.904 -84.178 -41.906 33 HG3 PRO 6 HG3 PRO 6 -70.473 -84.755 -40.333 34 HD2 PRO 6 HD2 PRO 6 -69.568 -82.203 -40.756 35 HD3 PRO 6 HD3 PRO 6 -69.453 -83.029 -39.184 36 H LEU 7 H LEU 7 -64.854 -83.606 -40.486 37 HA LEU 7 HA LEU 7 -63.433 -83.185 -42.367 38 HB2 LEU 7 HB2 LEU 7 -63.347 -85.908 -41.210 39 HB3 LEU 7 HB3 LEU 7 -62.481 -85.693 -42.731 40 HG LEU 7 HG LEU 7 -62.143 -83.683 -40.521 41 HD11 LEU 7 HD11 LEU 7 -61.741 -85.909 -39.511 42 HD12 LEU 7 HD12 LEU 7 -60.243 -84.992 -39.666 43 HD13 LEU 7 HD13 LEU 7 -60.608 -86.285 -40.808 44 HD21 LEU 7 HD21 LEU 7 -61.246 -83.723 -43.064 45 HD22 LEU 7 HD22 LEU 7 -59.953 -84.645 -42.299 46 HD23 LEU 7 HD23 LEU 7 -60.314 -83.010 -41.747 47 H LYS 8 H LYS 8 -64.962 -82.620 -44.035 48 HA LYS 8 HA LYS 8 -66.056 -84.690 -45.729 49 HB2 LYS 8 HB2 LYS 8 -67.176 -82.480 -45.333 50 HB3 LYS 8 HB3 LYS 8 -65.884 -81.716 -46.260 51 HG2 LYS 8 HG2 LYS 8 -67.764 -82.134 -47.746 52 HG3 LYS 8 HG3 LYS 8 -66.444 -83.221 -48.183 53 HD2 LYS 8 HD2 LYS 8 -67.566 -85.088 -47.480 54 HD3 LYS 8 HD3 LYS 8 -68.348 -84.240 -46.145 55 HE2 LYS 8 HE2 LYS 8 -69.089 -83.921 -49.069 56 HE3 LYS 8 HE3 LYS 8 -69.973 -84.910 -47.907 57 HZ1 LYS 8 HZ1 LYS 8 -69.903 -82.649 -46.572 58 HZ2 LYS 8 HZ2 LYS 8 -71.127 -82.991 -47.700 59 HZ3 LYS 8 HZ3 LYS 8 -69.814 -82.005 -48.140 60 HN1 NH2 9 HN1 NH2 9 -64.183 -85.837 -46.858 61 HN2 NH2 9 HN2 NH2 9 -62.740 -84.956 -47.006 62 H1 A2G 10 H1 A2G 10 -69.930 -76.298 -38.585 63 H2 A2G 10 H2 A2G 10 -71.118 -75.538 -40.598 64 HN2 A2G 10 HN2 A2G 10 -68.467 -74.234 -40.397 65 H3 A2G 10 H3 A2G 10 -70.395 -72.745 -39.669 66 HO3 A2G 10 HO3 A2G 10 -71.912 -73.734 -41.851 67 H4 A2G 10 H4 A2G 10 -72.772 -72.434 -39.277 68 HO4 A2G 10 HO4 A2G 10 -72.928 -74.610 -40.805 69 H5 A2G 10 H5 A2G 10 -71.482 -73.349 -37.400 70 H6 A2G 10 H6 A2G 10 -73.880 -75.081 -37.237 71 H8 A2G 10 H8 A2G 10 -67.405 -74.882 -43.058 72 H8A A2G 10 H8A A2G 10 -67.193 -76.587 -42.662 73 H8B A2G 10 H8B A2G 10 -66.784 -75.349 -41.475 74 H14 A2G 10 H14 A2G 10 -73.341 -73.802 -36.149 75 H15 A2G 10 H15 A2G 10 -74.907 -73.657 -38.453 76 H1 A2G 11 H1 A2G 11 -66.356 -80.904 -37.380 77 H2 A2G 11 H2 A2G 11 -66.978 -82.267 -35.431 78 HN2 A2G 11 HN2 A2G 11 -68.068 -79.516 -35.303 79 H3 A2G 11 H3 A2G 11 -65.991 -79.920 -33.787 80 HO3 A2G 11 HO3 A2G 11 -66.300 -81.771 -32.193 81 H4 A2G 11 H4 A2G 11 -64.190 -81.385 -33.072 82 HO4 A2G 11 HO4 A2G 11 -64.465 -83.436 -33.274 83 H5 A2G 11 H5 A2G 11 -63.772 -80.081 -35.110 84 H6 A2G 11 H6 A2G 11 -61.879 -81.258 -35.798 85 H8 A2G 11 H8 A2G 11 -70.245 -79.385 -36.081 86 H8A A2G 11 H8A A2G 11 -70.817 -80.035 -34.545 87 H8B A2G 11 H8B A2G 11 -71.244 -80.838 -36.056 88 H14 A2G 11 H14 A2G 11 -62.223 -82.050 -34.261 89 H15 A2G 11 H15 A2G 11 -63.269 -82.948 -36.728 90 H1 A2G 12 H1 A2G 12 -66.195 -81.414 -42.820 91 H2 A2G 12 H2 A2G 12 -64.331 -80.522 -44.150 92 HN2 A2G 12 HN2 A2G 12 -64.376 -79.482 -41.377 93 H3 A2G 12 H3 A2G 12 -65.258 -77.808 -43.172 94 HO3 A2G 12 HO3 A2G 12 -62.934 -78.706 -44.001 95 H4 A2G 12 H4 A2G 12 -65.893 -77.372 -45.477 96 HO4 A2G 12 HO4 A2G 12 -65.808 -79.771 -46.551 97 H5 A2G 12 H5 A2G 12 -67.608 -78.421 -44.068 98 H6 A2G 12 H6 A2G 12 -67.793 -78.166 -46.695 99 H8 A2G 12 H8 A2G 12 -62.484 -79.654 -40.229 100 H8A A2G 12 H8A A2G 12 -61.079 -80.419 -40.973 101 H8B A2G 12 H8B A2G 12 -62.319 -81.410 -40.203 102 H14 A2G 12 H14 A2G 12 -67.789 -79.929 -46.659 103 H15 A2G 12 H15 A2G 12 -69.718 -78.148 -45.863
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