NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
536594 | 2li0 | 17873 | 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 -33.241 -8.947 -44.124 2 H2 ACE 1 H2 ACE 1 -31.974 -10.156 -43.912 3 H3 ACE 1 H3 ACE 1 -33.204 -10.376 -45.157 4 HA PRO 2 HA PRO 2 -30.351 -6.845 -46.727 5 HB2 PRO 2 HB2 PRO 2 -28.035 -6.648 -45.023 6 HB3 PRO 2 HB3 PRO 2 -29.295 -5.437 -45.303 7 HG2 PRO 2 HG2 PRO 2 -28.868 -6.792 -42.934 8 HG3 PRO 2 HG3 PRO 2 -30.353 -5.943 -43.385 9 HD2 PRO 2 HD2 PRO 2 -29.781 -8.869 -43.398 10 HD3 PRO 2 HD3 PRO 2 -31.321 -8.018 -43.140 11 H THR 3 H THR 3 -30.043 -9.870 -46.603 12 HA THR 3 HA THR 3 -27.660 -10.000 -48.278 13 HB THR 3 HB THR 3 -26.632 -10.476 -46.175 14 HG1 THR 3 HG1 THR 3 -25.929 -12.512 -46.582 15 HG21 THR 3 HG21 THR 3 -28.183 -10.948 -44.563 16 HG22 THR 3 HG22 THR 3 -27.777 -12.614 -44.977 17 HG23 THR 3 HG23 THR 3 -29.210 -11.856 -45.673 18 H THR 4 H THR 4 -27.401 -12.551 -48.821 19 HA THR 4 HA THR 4 -30.008 -13.821 -49.157 20 HB THR 4 HB THR 4 -29.420 -14.112 -51.666 21 HG1 THR 4 HG1 THR 4 -27.808 -11.940 -50.857 22 HG21 THR 4 HG21 THR 4 -30.650 -12.082 -52.216 23 HG22 THR 4 HG22 THR 4 -30.254 -11.383 -50.645 24 HG23 THR 4 HG23 THR 4 -31.321 -12.784 -50.744 25 H THR 5 H THR 5 -29.500 -15.847 -50.763 26 HA THR 5 HA THR 5 -26.916 -17.048 -50.106 27 HB THR 5 HB THR 5 -28.185 -19.140 -49.324 28 HG21 THR 5 HG21 THR 5 -27.730 -18.515 -47.172 29 HG22 THR 5 HG22 THR 5 -28.652 -17.018 -47.309 30 HG23 THR 5 HG23 THR 5 -27.015 -17.108 -47.960 31 HA PRO 6 HA PRO 6 -27.044 -18.892 -54.072 32 HB2 PRO 6 HB2 PRO 6 -26.733 -21.610 -53.174 33 HB3 PRO 6 HB3 PRO 6 -25.504 -20.539 -53.863 34 HG2 PRO 6 HG2 PRO 6 -26.000 -21.249 -51.078 35 HG3 PRO 6 HG3 PRO 6 -24.562 -20.537 -51.824 36 HD2 PRO 6 HD2 PRO 6 -26.245 -19.150 -50.154 37 HD3 PRO 6 HD3 PRO 6 -25.260 -18.377 -51.416 38 H LEU 7 H LEU 7 -29.412 -18.343 -54.031 39 HA LEU 7 HA LEU 7 -31.328 -20.349 -53.316 40 HB2 LEU 7 HB2 LEU 7 -32.949 -18.883 -54.439 41 HB3 LEU 7 HB3 LEU 7 -31.903 -17.955 -53.363 42 HG LEU 7 HG LEU 7 -30.600 -18.078 -55.886 43 HD11 LEU 7 HD11 LEU 7 -32.324 -16.957 -57.299 44 HD12 LEU 7 HD12 LEU 7 -33.523 -17.281 -56.046 45 HD13 LEU 7 HD13 LEU 7 -32.757 -18.620 -56.901 46 HD21 LEU 7 HD21 LEU 7 -30.419 -16.266 -54.228 47 HD22 LEU 7 HD22 LEU 7 -32.110 -15.842 -54.493 48 HD23 LEU 7 HD23 LEU 7 -30.933 -15.621 -55.787 49 H LYS 8 H LYS 8 -33.055 -20.379 -55.497 50 HA LYS 8 HA LYS 8 -31.801 -22.401 -57.132 51 HB2 LYS 8 HB2 LYS 8 -34.517 -21.227 -57.661 52 HB3 LYS 8 HB3 LYS 8 -33.950 -22.876 -57.929 53 HG2 LYS 8 HG2 LYS 8 -34.444 -21.553 -55.245 54 HG3 LYS 8 HG3 LYS 8 -35.395 -22.851 -55.968 55 HD2 LYS 8 HD2 LYS 8 -33.229 -24.216 -56.011 56 HD3 LYS 8 HD3 LYS 8 -32.551 -22.977 -54.954 57 HE2 LYS 8 HE2 LYS 8 -33.380 -24.439 -53.362 58 HE3 LYS 8 HE3 LYS 8 -34.792 -23.407 -53.589 59 HZ1 LYS 8 HZ1 LYS 8 -35.890 -25.000 -54.758 60 HZ2 LYS 8 HZ2 LYS 8 -34.959 -26.005 -53.754 61 HZ3 LYS 8 HZ3 LYS 8 -34.474 -25.717 -55.357 62 HN1 NH2 9 HN1 NH2 9 -30.828 -19.385 -59.147 63 HN2 NH2 9 HN2 NH2 9 -30.443 -19.961 -57.597 64 H1 A2G 10 H1 A2G 10 -30.144 -19.298 -50.690 65 H2 A2G 10 H2 A2G 10 -32.398 -20.013 -50.043 66 HN2 A2G 10 HN2 A2G 10 -32.088 -17.070 -50.085 67 H3 A2G 10 H3 A2G 10 -32.071 -18.128 -47.697 68 HO3 A2G 10 HO3 A2G 10 -34.107 -18.719 -47.230 69 H4 A2G 10 H4 A2G 10 -32.037 -20.126 -46.316 70 HO4 A2G 10 HO4 A2G 10 -33.292 -21.493 -47.537 71 H5 A2G 10 H5 A2G 10 -29.879 -19.343 -47.197 72 H6 A2G 10 H6 A2G 10 -30.272 -22.342 -47.084 73 H8 A2G 10 H8 A2G 10 -33.727 -16.830 -52.960 74 H8A A2G 10 H8A A2G 10 -34.881 -16.563 -51.655 75 H8B A2G 10 H8B A2G 10 -33.238 -15.936 -51.521 76 H14 A2G 10 H14 A2G 10 -28.680 -21.586 -47.160 77 H15 A2G 10 H15 A2G 10 -30.282 -21.916 -45.049 Start of MODEL 2 1 H1 ACE 1 H1 ACE 1 -33.164 -8.618 -49.479 2 H2 ACE 1 H2 ACE 1 -32.519 -7.164 -50.243 3 H3 ACE 1 H3 ACE 1 -33.418 -7.041 -48.730 4 HA PRO 2 HA PRO 2 -29.955 -7.345 -46.071 5 HB2 PRO 2 HB2 PRO 2 -30.441 -9.974 -44.997 6 HB3 PRO 2 HB3 PRO 2 -30.769 -8.406 -44.244 7 HG2 PRO 2 HG2 PRO 2 -32.595 -10.238 -45.599 8 HG3 PRO 2 HG3 PRO 2 -32.947 -8.916 -44.478 9 HD2 PRO 2 HD2 PRO 2 -33.521 -8.802 -47.154 10 HD3 PRO 2 HD3 PRO 2 -33.168 -7.361 -46.173 11 H THR 3 H THR 3 -30.453 -10.761 -46.979 12 HA THR 3 HA THR 3 -28.004 -10.766 -48.561 13 HB THR 3 HB THR 3 -26.933 -11.246 -46.535 14 HG1 THR 3 HG1 THR 3 -26.813 -12.949 -48.208 15 HG21 THR 3 HG21 THR 3 -28.583 -11.420 -44.914 16 HG22 THR 3 HG22 THR 3 -28.073 -13.104 -45.032 17 HG23 THR 3 HG23 THR 3 -29.535 -12.566 -45.858 18 H THR 4 H THR 4 -27.595 -13.203 -49.237 19 HA THR 4 HA THR 4 -30.077 -14.699 -49.573 20 HB THR 4 HB THR 4 -29.818 -14.781 -52.042 21 HG1 THR 4 HG1 THR 4 -27.674 -14.232 -52.243 22 HG21 THR 4 HG21 THR 4 -30.859 -12.677 -52.453 23 HG22 THR 4 HG22 THR 4 -30.021 -11.917 -51.101 24 HG23 THR 4 HG23 THR 4 -31.290 -13.102 -50.798 25 H THR 5 H THR 5 -29.609 -16.740 -50.907 26 HA THR 5 HA THR 5 -26.837 -17.648 -50.748 27 HB THR 5 HB THR 5 -27.921 -19.801 -49.588 28 HG21 THR 5 HG21 THR 5 -26.011 -18.371 -48.784 29 HG22 THR 5 HG22 THR 5 -27.033 -18.992 -47.487 30 HG23 THR 5 HG23 THR 5 -27.196 -17.315 -48.014 31 HA PRO 6 HA PRO 6 -27.539 -19.942 -54.393 32 HB2 PRO 6 HB2 PRO 6 -26.968 -22.546 -53.300 33 HB3 PRO 6 HB3 PRO 6 -25.918 -21.519 -54.289 34 HG2 PRO 6 HG2 PRO 6 -25.925 -21.940 -51.399 35 HG3 PRO 6 HG3 PRO 6 -24.653 -21.291 -52.444 36 HD2 PRO 6 HD2 PRO 6 -26.068 -19.749 -50.678 37 HD3 PRO 6 HD3 PRO 6 -25.363 -19.109 -52.179 38 H LEU 7 H LEU 7 -29.912 -19.371 -53.577 39 HA LEU 7 HA LEU 7 -31.518 -21.670 -54.132 40 HB2 LEU 7 HB2 LEU 7 -30.834 -21.614 -51.527 41 HB3 LEU 7 HB3 LEU 7 -32.249 -20.561 -51.479 42 HG LEU 7 HG LEU 7 -32.913 -22.900 -51.121 43 HD11 LEU 7 HD11 LEU 7 -34.620 -23.036 -52.874 44 HD12 LEU 7 HD12 LEU 7 -33.710 -21.902 -53.873 45 HD13 LEU 7 HD13 LEU 7 -34.429 -21.362 -52.355 46 HD21 LEU 7 HD21 LEU 7 -30.888 -23.495 -52.877 47 HD22 LEU 7 HD22 LEU 7 -32.312 -23.718 -53.893 48 HD23 LEU 7 HD23 LEU 7 -32.149 -24.629 -52.393 49 H LYS 8 H LYS 8 -31.182 -19.102 -55.268 50 HA LYS 8 HA LYS 8 -33.370 -17.404 -54.453 51 HB2 LYS 8 HB2 LYS 8 -32.747 -16.062 -56.425 52 HB3 LYS 8 HB3 LYS 8 -31.338 -16.440 -55.434 53 HG2 LYS 8 HG2 LYS 8 -30.907 -18.413 -56.951 54 HG3 LYS 8 HG3 LYS 8 -32.182 -17.801 -58.005 55 HD2 LYS 8 HD2 LYS 8 -30.372 -16.758 -58.983 56 HD3 LYS 8 HD3 LYS 8 -30.772 -15.542 -57.769 57 HE2 LYS 8 HE2 LYS 8 -29.128 -16.556 -56.222 58 HE3 LYS 8 HE3 LYS 8 -28.712 -17.746 -57.455 59 HZ1 LYS 8 HZ1 LYS 8 -28.622 -15.062 -58.441 60 HZ2 LYS 8 HZ2 LYS 8 -27.444 -16.283 -58.518 61 HZ3 LYS 8 HZ3 LYS 8 -27.562 -15.298 -57.138 62 HN1 NH2 9 HN1 NH2 9 -33.403 -20.321 -56.053 63 HN2 NH2 9 HN2 NH2 9 -34.742 -20.075 -57.068 64 H1 A2G 10 H1 A2G 10 -30.095 -19.707 -50.304 65 H2 A2G 10 H2 A2G 10 -32.286 -19.949 -49.192 66 HN2 A2G 10 HN2 A2G 10 -31.471 -17.115 -49.475 67 H3 A2G 10 H3 A2G 10 -31.168 -18.043 -47.120 68 HO3 A2G 10 HO3 A2G 10 -33.221 -19.023 -46.145 69 H4 A2G 10 H4 A2G 10 -31.126 -19.915 -45.593 70 HO4 A2G 10 HO4 A2G 10 -32.417 -21.495 -45.997 71 H5 A2G 10 H5 A2G 10 -29.127 -19.642 -47.014 72 H6 A2G 10 H6 A2G 10 -29.915 -22.551 -46.647 73 H8 A2G 10 H8 A2G 10 -33.278 -16.675 -52.202 74 H8A A2G 10 H8A A2G 10 -34.316 -16.278 -50.832 75 H8B A2G 10 H8B A2G 10 -32.607 -15.846 -50.798 76 H14 A2G 10 H14 A2G 10 -28.269 -21.949 -46.840 77 H15 A2G 10 H15 A2G 10 -30.045 -21.160 -44.778 Start of MODEL 3 1 H1 ACE 1 H1 ACE 1 -25.973 -6.764 -42.324 2 H2 ACE 1 H2 ACE 1 -26.372 -8.095 -41.238 3 H3 ACE 1 H3 ACE 1 -27.621 -6.948 -41.723 4 HA PRO 2 HA PRO 2 -27.327 -11.013 -44.355 5 HB2 PRO 2 HB2 PRO 2 -30.179 -11.161 -43.974 6 HB3 PRO 2 HB3 PRO 2 -28.940 -12.295 -43.417 7 HG2 PRO 2 HG2 PRO 2 -30.342 -10.200 -41.944 8 HG3 PRO 2 HG3 PRO 2 -29.451 -11.604 -41.340 9 HD2 PRO 2 HD2 PRO 2 -28.537 -9.033 -41.095 10 HD3 PRO 2 HD3 PRO 2 -27.458 -10.445 -41.194 11 H THR 3 H THR 3 -28.644 -11.367 -46.372 12 HA THR 3 HA THR 3 -30.074 -9.039 -47.390 13 HB THR 3 HB THR 3 -27.875 -10.010 -49.148 14 HG1 THR 3 HG1 THR 3 -26.956 -7.955 -47.800 15 HG21 THR 3 HG21 THR 3 -27.995 -7.782 -49.999 16 HG22 THR 3 HG22 THR 3 -28.882 -7.216 -48.583 17 HG23 THR 3 HG23 THR 3 -29.663 -8.293 -49.741 18 H THR 4 H THR 4 -28.429 -11.912 -48.733 19 HA THR 4 HA THR 4 -31.005 -13.107 -49.398 20 HB THR 4 HB THR 4 -29.327 -13.226 -51.745 21 HG1 THR 4 HG1 THR 4 -30.289 -10.688 -51.590 22 HG21 THR 4 HG21 THR 4 -32.061 -12.023 -51.233 23 HG22 THR 4 HG22 THR 4 -31.750 -13.710 -51.639 24 HG23 THR 4 HG23 THR 4 -31.397 -12.442 -52.812 25 H THR 5 H THR 5 -30.256 -15.128 -51.005 26 HA THR 5 HA THR 5 -27.876 -16.407 -49.887 27 HB THR 5 HB THR 5 -29.247 -18.474 -49.358 28 HG21 THR 5 HG21 THR 5 -30.271 -16.282 -47.615 29 HG22 THR 5 HG22 THR 5 -28.521 -16.439 -47.767 30 HG23 THR 5 HG23 THR 5 -29.479 -17.794 -47.170 31 HA PRO 6 HA PRO 6 -27.180 -18.173 -53.817 32 HB2 PRO 6 HB2 PRO 6 -27.242 -20.925 -52.971 33 HB3 PRO 6 HB3 PRO 6 -25.827 -19.917 -53.313 34 HG2 PRO 6 HG2 PRO 6 -27.017 -20.645 -50.747 35 HG3 PRO 6 HG3 PRO 6 -25.399 -20.028 -51.109 36 HD2 PRO 6 HD2 PRO 6 -27.317 -18.543 -49.836 37 HD3 PRO 6 HD3 PRO 6 -26.034 -17.823 -50.835 38 H LEU 7 H LEU 7 -28.765 -18.167 -55.302 39 HA LEU 7 HA LEU 7 -31.392 -19.184 -54.786 40 HB2 LEU 7 HB2 LEU 7 -31.083 -17.279 -56.269 41 HB3 LEU 7 HB3 LEU 7 -30.086 -18.250 -57.353 42 HG LEU 7 HG LEU 7 -32.691 -19.472 -56.765 43 HD11 LEU 7 HD11 LEU 7 -33.831 -17.849 -58.399 44 HD12 LEU 7 HD12 LEU 7 -32.502 -16.743 -58.054 45 HD13 LEU 7 HD13 LEU 7 -33.577 -17.262 -56.756 46 HD21 LEU 7 HD21 LEU 7 -32.609 -19.977 -59.097 47 HD22 LEU 7 HD22 LEU 7 -30.939 -20.085 -58.539 48 HD23 LEU 7 HD23 LEU 7 -31.485 -18.656 -59.418 49 H LYS 8 H LYS 8 -32.362 -21.041 -55.490 50 HA LYS 8 HA LYS 8 -31.068 -22.840 -57.337 51 HB2 LYS 8 HB2 LYS 8 -30.807 -24.702 -55.764 52 HB3 LYS 8 HB3 LYS 8 -29.812 -23.333 -55.271 53 HG2 LYS 8 HG2 LYS 8 -31.869 -22.646 -53.831 54 HG3 LYS 8 HG3 LYS 8 -32.386 -24.317 -54.060 55 HD2 LYS 8 HD2 LYS 8 -29.765 -23.391 -52.852 56 HD3 LYS 8 HD3 LYS 8 -31.097 -24.171 -52.000 57 HE2 LYS 8 HE2 LYS 8 -29.285 -25.375 -54.101 58 HE3 LYS 8 HE3 LYS 8 -29.505 -25.900 -52.432 59 HZ1 LYS 8 HZ1 LYS 8 -31.835 -26.408 -52.989 60 HZ2 LYS 8 HZ2 LYS 8 -30.728 -27.340 -53.879 61 HZ3 LYS 8 HZ3 LYS 8 -31.518 -26.025 -54.609 62 HN1 NH2 9 HN1 NH2 9 -32.697 -24.529 -58.069 63 HN2 NH2 9 HN2 NH2 9 -34.238 -23.819 -58.007 64 H1 A2G 10 H1 A2G 10 -30.699 -18.819 -51.103 65 H2 A2G 10 H2 A2G 10 -33.064 -19.528 -51.168 66 HN2 A2G 10 HN2 A2G 10 -32.828 -16.584 -51.367 67 H3 A2G 10 H3 A2G 10 -33.508 -17.378 -49.082 68 HO3 A2G 10 HO3 A2G 10 -35.484 -17.647 -49.670 69 H4 A2G 10 H4 A2G 10 -33.886 -19.160 -47.496 70 HO4 A2G 10 HO4 A2G 10 -34.573 -20.569 -49.406 71 H5 A2G 10 H5 A2G 10 -31.536 -18.470 -47.796 72 H6 A2G 10 H6 A2G 10 -31.718 -21.487 -47.533 73 H8 A2G 10 H8 A2G 10 -32.817 -16.583 -54.648 74 H8A A2G 10 H8A A2G 10 -34.515 -16.521 -54.181 75 H8B A2G 10 H8B A2G 10 -33.310 -15.637 -53.244 76 H14 A2G 10 H14 A2G 10 -30.493 -20.430 -46.830 77 H15 A2G 10 H15 A2G 10 -33.032 -21.001 -45.978 Start of MODEL 4 1 H1 ACE 1 H1 ACE 1 -32.946 -10.408 -45.202 2 H2 ACE 1 H2 ACE 1 -33.548 -8.763 -45.411 3 H3 ACE 1 H3 ACE 1 -33.214 -9.382 -43.793 4 HA PRO 2 HA PRO 2 -29.071 -7.988 -43.572 5 HB2 PRO 2 HB2 PRO 2 -27.729 -10.530 -43.752 6 HB3 PRO 2 HB3 PRO 2 -28.040 -9.556 -42.307 7 HG2 PRO 2 HG2 PRO 2 -29.457 -11.905 -43.309 8 HG3 PRO 2 HG3 PRO 2 -29.455 -11.191 -41.690 9 HD2 PRO 2 HD2 PRO 2 -31.611 -11.072 -43.374 10 HD3 PRO 2 HD3 PRO 2 -31.273 -9.838 -42.139 11 H THR 3 H THR 3 -29.158 -10.801 -45.781 12 HA THR 3 HA THR 3 -28.195 -9.137 -47.973 13 HB THR 3 HB THR 3 -26.647 -11.599 -47.142 14 HG1 THR 3 HG1 THR 3 -26.606 -9.218 -46.072 15 HG21 THR 3 HG21 THR 3 -25.634 -11.403 -49.139 16 HG22 THR 3 HG22 THR 3 -25.305 -9.694 -48.849 17 HG23 THR 3 HG23 THR 3 -26.836 -10.187 -49.573 18 H THR 4 H THR 4 -27.332 -12.188 -48.724 19 HA THR 4 HA THR 4 -29.984 -13.215 -49.371 20 HB THR 4 HB THR 4 -28.555 -13.428 -51.795 21 HG1 THR 4 HG1 THR 4 -28.194 -11.028 -50.453 22 HG21 THR 4 HG21 THR 4 -30.422 -11.992 -52.619 23 HG22 THR 4 HG22 THR 4 -30.875 -11.673 -50.944 24 HG23 THR 4 HG23 THR 4 -30.980 -13.311 -51.590 25 H THR 5 H THR 5 -29.565 -15.280 -50.876 26 HA THR 5 HA THR 5 -27.132 -16.695 -50.084 27 HB THR 5 HB THR 5 -28.572 -18.656 -49.313 28 HG21 THR 5 HG21 THR 5 -29.073 -16.400 -47.438 29 HG22 THR 5 HG22 THR 5 -27.398 -16.672 -47.914 30 HG23 THR 5 HG23 THR 5 -28.315 -17.963 -47.139 31 HA PRO 6 HA PRO 6 -27.159 -18.597 -54.012 32 HB2 PRO 6 HB2 PRO 6 -27.274 -21.318 -53.075 33 HB3 PRO 6 HB3 PRO 6 -25.865 -20.420 -53.659 34 HG2 PRO 6 HG2 PRO 6 -26.697 -21.003 -50.921 35 HG3 PRO 6 HG3 PRO 6 -25.115 -20.509 -51.541 36 HD2 PRO 6 HD2 PRO 6 -26.713 -18.864 -50.046 37 HD3 PRO 6 HD3 PRO 6 -25.552 -18.260 -51.250 38 H LEU 7 H LEU 7 -29.089 -18.230 -55.016 39 HA LEU 7 HA LEU 7 -31.575 -19.328 -54.113 40 HB2 LEU 7 HB2 LEU 7 -32.520 -18.327 -56.106 41 HB3 LEU 7 HB3 LEU 7 -31.370 -17.194 -55.395 42 HG LEU 7 HG LEU 7 -29.777 -18.707 -57.077 43 HD11 LEU 7 HD11 LEU 7 -32.364 -18.083 -58.530 44 HD12 LEU 7 HD12 LEU 7 -31.892 -19.702 -58.013 45 HD13 LEU 7 HD13 LEU 7 -30.922 -18.840 -59.208 46 HD21 LEU 7 HD21 LEU 7 -31.226 -16.103 -57.659 47 HD22 LEU 7 HD22 LEU 7 -29.775 -16.668 -58.485 48 HD23 LEU 7 HD23 LEU 7 -29.711 -16.260 -56.770 49 H LYS 8 H LYS 8 -32.979 -20.544 -55.780 50 HA LYS 8 HA LYS 8 -31.600 -22.375 -57.533 51 HB2 LYS 8 HB2 LYS 8 -32.141 -24.417 -56.346 52 HB3 LYS 8 HB3 LYS 8 -31.189 -23.379 -55.283 53 HG2 LYS 8 HG2 LYS 8 -33.509 -22.494 -54.472 54 HG3 LYS 8 HG3 LYS 8 -34.137 -23.981 -55.185 55 HD2 LYS 8 HD2 LYS 8 -31.998 -23.774 -53.045 56 HD3 LYS 8 HD3 LYS 8 -33.641 -24.379 -52.832 57 HE2 LYS 8 HE2 LYS 8 -31.381 -25.630 -54.393 58 HE3 LYS 8 HE3 LYS 8 -32.320 -26.333 -53.077 59 HZ1 LYS 8 HZ1 LYS 8 -33.006 -26.026 -55.895 60 HZ2 LYS 8 HZ2 LYS 8 -34.266 -25.836 -54.772 61 HZ3 LYS 8 HZ3 LYS 8 -33.377 -27.283 -54.820 62 HN1 NH2 9 HN1 NH2 9 -34.829 -22.007 -55.774 63 HN2 NH2 9 HN2 NH2 9 -35.471 -21.465 -57.249 64 H1 A2G 10 H1 A2G 10 -30.347 -18.857 -50.770 65 H2 A2G 10 H2 A2G 10 -32.738 -19.342 -50.384 66 HN2 A2G 10 HN2 A2G 10 -32.181 -16.452 -50.721 67 H3 A2G 10 H3 A2G 10 -32.585 -17.163 -48.287 68 HO3 A2G 10 HO3 A2G 10 -34.600 -18.868 -49.290 69 H4 A2G 10 H4 A2G 10 -32.825 -18.905 -46.631 70 HO4 A2G 10 HO4 A2G 10 -34.051 -20.391 -47.691 71 H5 A2G 10 H5 A2G 10 -30.519 -18.439 -47.375 72 H6 A2G 10 H6 A2G 10 -31.030 -21.405 -46.966 73 H8 A2G 10 H8 A2G 10 -33.018 -16.506 -53.894 74 H8A A2G 10 H8A A2G 10 -34.490 -16.082 -53.018 75 H8B A2G 10 H8B A2G 10 -32.932 -15.457 -52.479 76 H14 A2G 10 H14 A2G 10 -29.501 -20.574 -46.683 77 H15 A2G 10 H15 A2G 10 -31.960 -20.041 -45.375 Start of MODEL 5 1 H1 ACE 1 H1 ACE 1 -27.896 -5.110 -45.635 2 H2 ACE 1 H2 ACE 1 -27.259 -6.374 -44.583 3 H3 ACE 1 H3 ACE 1 -28.727 -5.506 -44.131 4 HA PRO 2 HA PRO 2 -30.135 -7.869 -48.189 5 HB2 PRO 2 HB2 PRO 2 -28.065 -9.807 -48.692 6 HB3 PRO 2 HB3 PRO 2 -28.628 -8.506 -49.752 7 HG2 PRO 2 HG2 PRO 2 -26.266 -8.619 -48.038 8 HG3 PRO 2 HG3 PRO 2 -26.619 -7.556 -49.409 9 HD2 PRO 2 HD2 PRO 2 -26.570 -6.685 -46.812 10 HD3 PRO 2 HD3 PRO 2 -27.574 -5.931 -48.072 11 H THR 3 H THR 3 -30.777 -10.243 -48.446 12 HA THR 3 HA THR 3 -30.293 -11.918 -46.108 13 HB THR 3 HB THR 3 -32.116 -10.703 -45.211 14 HG1 THR 3 HG1 THR 3 -32.699 -12.724 -44.860 15 HG21 THR 3 HG21 THR 3 -33.375 -10.971 -47.953 16 HG22 THR 3 HG22 THR 3 -32.790 -9.487 -47.203 17 HG23 THR 3 HG23 THR 3 -34.201 -10.313 -46.541 18 H THR 4 H THR 4 -29.301 -12.869 -48.187 19 HA THR 4 HA THR 4 -31.142 -14.921 -49.141 20 HB THR 4 HB THR 4 -30.301 -14.500 -51.527 21 HG1 THR 4 HG1 THR 4 -30.044 -11.837 -50.843 22 HG21 THR 4 HG21 THR 4 -32.071 -12.382 -50.280 23 HG22 THR 4 HG22 THR 4 -32.608 -14.010 -50.688 24 HG23 THR 4 HG23 THR 4 -32.083 -12.910 -51.962 25 H THR 5 H THR 5 -29.899 -16.524 -50.564 26 HA THR 5 HA THR 5 -27.035 -16.640 -50.001 27 HB THR 5 HB THR 5 -27.560 -19.151 -49.274 28 HG21 THR 5 HG21 THR 5 -27.973 -16.915 -47.284 29 HG22 THR 5 HG22 THR 5 -26.397 -17.245 -48.005 30 HG23 THR 5 HG23 THR 5 -27.191 -18.474 -47.022 31 HA PRO 6 HA PRO 6 -26.461 -18.485 -53.905 32 HB2 PRO 6 HB2 PRO 6 -25.402 -21.008 -53.002 33 HB3 PRO 6 HB3 PRO 6 -24.517 -19.616 -53.643 34 HG2 PRO 6 HG2 PRO 6 -24.895 -20.469 -50.876 35 HG3 PRO 6 HG3 PRO 6 -23.688 -19.377 -51.566 36 HD2 PRO 6 HD2 PRO 6 -25.740 -18.520 -49.969 37 HD3 PRO 6 HD3 PRO 6 -24.992 -17.501 -51.221 38 H LEU 7 H LEU 7 -28.791 -18.691 -54.197 39 HA LEU 7 HA LEU 7 -29.572 -21.373 -54.814 40 HB2 LEU 7 HB2 LEU 7 -30.238 -20.367 -52.197 41 HB3 LEU 7 HB3 LEU 7 -31.709 -20.618 -53.137 42 HG LEU 7 HG LEU 7 -29.535 -22.706 -53.062 43 HD11 LEU 7 HD11 LEU 7 -30.182 -22.227 -50.727 44 HD12 LEU 7 HD12 LEU 7 -30.784 -23.804 -51.237 45 HD13 LEU 7 HD13 LEU 7 -31.881 -22.425 -51.157 46 HD21 LEU 7 HD21 LEU 7 -31.265 -22.910 -54.791 47 HD22 LEU 7 HD22 LEU 7 -32.527 -22.766 -53.569 48 HD23 LEU 7 HD23 LEU 7 -31.472 -24.179 -53.584 49 H LYS 8 H LYS 8 -32.216 -21.209 -55.116 50 HA LYS 8 HA LYS 8 -33.068 -18.663 -56.172 51 HB2 LYS 8 HB2 LYS 8 -31.572 -19.554 -57.980 52 HB3 LYS 8 HB3 LYS 8 -32.660 -20.933 -58.130 53 HG2 LYS 8 HG2 LYS 8 -33.282 -19.270 -59.791 54 HG3 LYS 8 HG3 LYS 8 -34.542 -19.336 -58.557 55 HD2 LYS 8 HD2 LYS 8 -34.059 -17.247 -57.758 56 HD3 LYS 8 HD3 LYS 8 -32.329 -17.421 -58.054 57 HE2 LYS 8 HE2 LYS 8 -33.499 -15.729 -59.539 58 HE3 LYS 8 HE3 LYS 8 -32.602 -16.979 -60.401 59 HZ1 LYS 8 HZ1 LYS 8 -34.583 -18.150 -60.860 60 HZ2 LYS 8 HZ2 LYS 8 -34.902 -16.525 -61.240 61 HZ3 LYS 8 HZ3 LYS 8 -35.495 -17.196 -59.796 62 HN1 NH2 9 HN1 NH2 9 -35.266 -22.095 -56.503 63 HN2 NH2 9 HN2 NH2 9 -33.812 -22.164 -55.630 64 H1 A2G 10 H1 A2G 10 -29.426 -19.848 -50.181 65 H2 A2G 10 H2 A2G 10 -31.576 -20.825 -49.487 66 HN2 A2G 10 HN2 A2G 10 -31.670 -17.883 -49.804 67 H3 A2G 10 H3 A2G 10 -31.619 -18.682 -47.349 68 HO3 A2G 10 HO3 A2G 10 -33.475 -19.748 -46.741 69 H4 A2G 10 H4 A2G 10 -31.207 -20.423 -45.733 70 HO4 A2G 10 HO4 A2G 10 -31.366 -22.475 -46.219 71 H5 A2G 10 H5 A2G 10 -29.188 -19.466 -46.778 72 H6 A2G 10 H6 A2G 10 -28.882 -22.468 -46.484 73 H8 A2G 10 H8 A2G 10 -33.127 -18.143 -52.786 74 H8A A2G 10 H8A A2G 10 -34.376 -17.916 -51.562 75 H8B A2G 10 H8B A2G 10 -32.840 -17.061 -51.423 76 H14 A2G 10 H14 A2G 10 -27.647 -21.240 -46.206 77 H15 A2G 10 H15 A2G 10 -28.746 -22.064 -44.293 Start of MODEL 6 1 H1 ACE 1 H1 ACE 1 -25.850 -13.143 -47.085 2 H2 ACE 1 H2 ACE 1 -26.956 -14.515 -47.162 3 H3 ACE 1 H3 ACE 1 -25.972 -14.255 -45.720 4 HA PRO 2 HA PRO 2 -28.892 -11.824 -43.549 5 HB2 PRO 2 HB2 PRO 2 -27.584 -9.265 -43.733 6 HB3 PRO 2 HB3 PRO 2 -27.620 -10.379 -42.358 7 HG2 PRO 2 HG2 PRO 2 -25.521 -9.934 -44.339 8 HG3 PRO 2 HG3 PRO 2 -25.426 -10.689 -42.742 9 HD2 PRO 2 HD2 PRO 2 -25.206 -12.100 -45.080 10 HD3 PRO 2 HD3 PRO 2 -25.832 -12.807 -43.573 11 H THR 3 H THR 3 -27.704 -10.548 -46.592 12 HA THR 3 HA THR 3 -30.027 -8.822 -46.955 13 HB THR 3 HB THR 3 -28.940 -8.273 -49.127 14 HG1 THR 3 HG1 THR 3 -27.658 -10.532 -48.584 15 HG21 THR 3 HG21 THR 3 -28.058 -6.704 -47.765 16 HG22 THR 3 HG22 THR 3 -26.612 -7.714 -47.716 17 HG23 THR 3 HG23 THR 3 -27.835 -7.863 -46.454 18 H THR 4 H THR 4 -28.523 -11.504 -48.777 19 HA THR 4 HA THR 4 -31.165 -12.604 -49.343 20 HB THR 4 HB THR 4 -30.011 -12.710 -51.852 21 HG1 THR 4 HG1 THR 4 -29.316 -10.367 -50.494 22 HG21 THR 4 HG21 THR 4 -31.994 -10.715 -50.722 23 HG22 THR 4 HG22 THR 4 -32.376 -12.316 -51.359 24 HG23 THR 4 HG23 THR 4 -31.771 -11.058 -52.438 25 H THR 5 H THR 5 -30.726 -14.568 -50.993 26 HA THR 5 HA THR 5 -28.218 -15.930 -50.338 27 HB THR 5 HB THR 5 -29.399 -17.940 -49.534 28 HG21 THR 5 HG21 THR 5 -29.710 -17.166 -47.355 29 HG22 THR 5 HG22 THR 5 -30.472 -15.668 -47.890 30 HG23 THR 5 HG23 THR 5 -28.727 -15.875 -48.046 31 HA PRO 6 HA PRO 6 -28.212 -17.568 -54.374 32 HB2 PRO 6 HB2 PRO 6 -28.247 -20.352 -53.636 33 HB3 PRO 6 HB3 PRO 6 -26.865 -19.374 -54.154 34 HG2 PRO 6 HG2 PRO 6 -27.675 -20.177 -51.465 35 HG3 PRO 6 HG3 PRO 6 -26.108 -19.596 -52.048 36 HD2 PRO 6 HD2 PRO 6 -27.752 -18.109 -50.437 37 HD3 PRO 6 HD3 PRO 6 -26.610 -17.387 -51.594 38 H LEU 7 H LEU 7 -29.369 -19.351 -55.764 39 HA LEU 7 HA LEU 7 -32.188 -18.919 -55.500 40 HB2 LEU 7 HB2 LEU 7 -30.456 -20.483 -57.397 41 HB3 LEU 7 HB3 LEU 7 -32.213 -20.636 -57.445 42 HG LEU 7 HG LEU 7 -31.280 -18.873 -58.996 43 HD11 LEU 7 HD11 LEU 7 -32.862 -17.239 -57.161 44 HD12 LEU 7 HD12 LEU 7 -33.550 -18.847 -57.385 45 HD13 LEU 7 HD13 LEU 7 -33.263 -17.808 -58.781 46 HD21 LEU 7 HD21 LEU 7 -30.817 -17.292 -56.459 47 HD22 LEU 7 HD22 LEU 7 -30.339 -16.875 -58.105 48 HD23 LEU 7 HD23 LEU 7 -29.518 -18.184 -57.254 49 H LYS 8 H LYS 8 -30.590 -20.557 -53.446 50 HA LYS 8 HA LYS 8 -32.673 -22.487 -52.950 51 HB2 LYS 8 HB2 LYS 8 -31.144 -24.451 -52.919 52 HB3 LYS 8 HB3 LYS 8 -31.369 -23.787 -54.537 53 HG2 LYS 8 HG2 LYS 8 -29.181 -22.430 -53.247 54 HG3 LYS 8 HG3 LYS 8 -28.922 -24.173 -53.162 55 HD2 LYS 8 HD2 LYS 8 -29.643 -22.680 -55.701 56 HD3 LYS 8 HD3 LYS 8 -28.001 -23.142 -55.253 57 HE2 LYS 8 HE2 LYS 8 -28.330 -25.232 -56.017 58 HE3 LYS 8 HE3 LYS 8 -29.755 -25.418 -54.994 59 HZ1 LYS 8 HZ1 LYS 8 -29.765 -25.290 -57.701 60 HZ2 LYS 8 HZ2 LYS 8 -30.194 -23.707 -57.256 61 HZ3 LYS 8 HZ3 LYS 8 -31.110 -25.025 -56.700 62 HN1 NH2 9 HN1 NH2 9 -31.447 -20.464 -50.558 63 HN2 NH2 9 HN2 NH2 9 -32.575 -21.697 -50.259 64 H1 A2G 10 H1 A2G 10 -30.857 -18.622 -51.043 65 H2 A2G 10 H2 A2G 10 -33.177 -19.467 -51.043 66 HN2 A2G 10 HN2 A2G 10 -33.100 -16.559 -51.593 67 H3 A2G 10 H3 A2G 10 -33.774 -17.112 -49.234 68 HO3 A2G 10 HO3 A2G 10 -35.343 -18.106 -50.804 69 H4 A2G 10 H4 A2G 10 -34.076 -18.711 -47.448 70 HO4 A2G 10 HO4 A2G 10 -33.451 -20.628 -49.442 71 H5 A2G 10 H5 A2G 10 -31.764 -17.929 -47.809 72 H6 A2G 10 H6 A2G 10 -31.766 -20.898 -47.191 73 H8 A2G 10 H8 A2G 10 -33.011 -16.949 -54.839 74 H8A A2G 10 H8A A2G 10 -34.727 -16.929 -54.428 75 H8B A2G 10 H8B A2G 10 -33.603 -15.873 -53.574 76 H14 A2G 10 H14 A2G 10 -30.632 -19.685 -46.596 77 H15 A2G 10 H15 A2G 10 -32.004 -19.138 -45.117 Start of MODEL 7 1 H1 ACE 1 H1 ACE 1 -26.199 -4.789 -44.972 2 H2 ACE 1 H2 ACE 1 -26.098 -5.203 -43.261 3 H3 ACE 1 H3 ACE 1 -27.465 -4.264 -43.862 4 HA PRO 2 HA PRO 2 -30.088 -7.669 -44.682 5 HB2 PRO 2 HB2 PRO 2 -30.030 -7.605 -47.561 6 HB3 PRO 2 HB3 PRO 2 -31.295 -7.005 -46.478 7 HG2 PRO 2 HG2 PRO 2 -29.192 -5.539 -47.878 8 HG3 PRO 2 HG3 PRO 2 -30.700 -4.948 -47.165 9 HD2 PRO 2 HD2 PRO 2 -28.234 -4.420 -46.099 10 HD3 PRO 2 HD3 PRO 2 -29.717 -4.507 -45.122 11 H THR 3 H THR 3 -30.212 -9.825 -45.843 12 HA THR 3 HA THR 3 -27.698 -10.814 -46.938 13 HB THR 3 HB THR 3 -26.983 -11.540 -44.922 14 HG1 THR 3 HG1 THR 3 -28.172 -13.385 -46.041 15 HG21 THR 3 HG21 THR 3 -28.602 -11.786 -42.964 16 HG22 THR 3 HG22 THR 3 -29.842 -11.130 -44.032 17 HG23 THR 3 HG23 THR 3 -28.429 -10.158 -43.619 18 H THR 4 H THR 4 -27.908 -12.826 -47.999 19 HA THR 4 HA THR 4 -30.542 -14.074 -48.121 20 HB THR 4 HB THR 4 -29.508 -13.559 -50.811 21 HG1 THR 4 HG1 THR 4 -29.001 -11.561 -50.129 22 HG21 THR 4 HG21 THR 4 -31.751 -14.529 -50.100 23 HG22 THR 4 HG22 THR 4 -31.830 -13.215 -51.274 24 HG23 THR 4 HG23 THR 4 -32.189 -12.904 -49.576 25 H THR 5 H THR 5 -30.214 -15.682 -50.292 26 HA THR 5 HA THR 5 -27.611 -17.000 -50.089 27 HB THR 5 HB THR 5 -28.695 -19.214 -49.653 28 HG21 THR 5 HG21 THR 5 -29.452 -17.395 -47.394 29 HG22 THR 5 HG22 THR 5 -27.759 -17.466 -47.891 30 HG23 THR 5 HG23 THR 5 -28.582 -18.932 -47.350 31 HA PRO 6 HA PRO 6 -27.836 -17.909 -54.348 32 HB2 PRO 6 HB2 PRO 6 -27.770 -20.780 -54.085 33 HB3 PRO 6 HB3 PRO 6 -26.449 -19.690 -54.534 34 HG2 PRO 6 HG2 PRO 6 -27.061 -20.915 -51.944 35 HG3 PRO 6 HG3 PRO 6 -25.535 -20.250 -52.549 36 HD2 PRO 6 HD2 PRO 6 -26.991 -19.005 -50.617 37 HD3 PRO 6 HD3 PRO 6 -26.017 -18.101 -51.800 38 H LEU 7 H LEU 7 -29.600 -17.820 -55.593 39 HA LEU 7 HA LEU 7 -32.150 -18.760 -54.693 40 HB2 LEU 7 HB2 LEU 7 -31.384 -17.812 -57.462 41 HB3 LEU 7 HB3 LEU 7 -33.003 -17.856 -56.761 42 HG LEU 7 HG LEU 7 -31.589 -16.409 -54.886 43 HD11 LEU 7 HD11 LEU 7 -30.751 -15.342 -57.587 44 HD12 LEU 7 HD12 LEU 7 -29.708 -16.406 -56.644 45 HD13 LEU 7 HD13 LEU 7 -30.188 -14.841 -55.993 46 HD21 LEU 7 HD21 LEU 7 -32.817 -14.474 -55.808 47 HD22 LEU 7 HD22 LEU 7 -33.839 -15.912 -55.786 48 HD23 LEU 7 HD23 LEU 7 -33.112 -15.369 -57.299 49 H LYS 8 H LYS 8 -32.052 -20.994 -54.447 50 HA LYS 8 HA LYS 8 -31.159 -22.705 -56.595 51 HB2 LYS 8 HB2 LYS 8 -31.065 -23.221 -54.085 52 HB3 LYS 8 HB3 LYS 8 -32.791 -23.559 -54.209 53 HG2 LYS 8 HG2 LYS 8 -32.132 -25.658 -54.773 54 HG3 LYS 8 HG3 LYS 8 -31.798 -24.952 -56.356 55 HD2 LYS 8 HD2 LYS 8 -29.477 -24.400 -55.520 56 HD3 LYS 8 HD3 LYS 8 -29.840 -25.350 -54.078 57 HE2 LYS 8 HE2 LYS 8 -28.696 -26.802 -55.631 58 HE3 LYS 8 HE3 LYS 8 -30.391 -27.289 -55.599 59 HZ1 LYS 8 HZ1 LYS 8 -29.538 -25.280 -57.556 60 HZ2 LYS 8 HZ2 LYS 8 -30.778 -26.435 -57.663 61 HZ3 LYS 8 HZ3 LYS 8 -29.157 -26.906 -57.849 62 HN1 NH2 9 HN1 NH2 9 -35.221 -23.028 -56.252 63 HN2 NH2 9 HN2 NH2 9 -34.455 -21.866 -55.281 64 H1 A2G 10 H1 A2G 10 -30.480 -19.444 -51.109 65 H2 A2G 10 H2 A2G 10 -32.763 -20.346 -50.833 66 HN2 A2G 10 HN2 A2G 10 -32.640 -17.396 -50.611 67 H3 A2G 10 H3 A2G 10 -32.872 -18.613 -48.353 68 HO3 A2G 10 HO3 A2G 10 -34.862 -18.852 -49.278 69 H4 A2G 10 H4 A2G 10 -32.824 -20.655 -47.069 70 HO4 A2G 10 HO4 A2G 10 -32.884 -21.853 -49.625 71 H5 A2G 10 H5 A2G 10 -30.628 -19.741 -47.698 72 H6 A2G 10 H6 A2G 10 -30.728 -22.773 -47.874 73 H8 A2G 10 H8 A2G 10 -33.554 -16.968 -53.735 74 H8A A2G 10 H8A A2G 10 -35.045 -16.946 -52.794 75 H8B A2G 10 H8B A2G 10 -33.581 -16.207 -52.144 76 H14 A2G 10 H14 A2G 10 -29.306 -21.816 -47.460 77 H15 A2G 10 H15 A2G 10 -31.755 -21.734 -46.041 Start of MODEL 8 1 H1 ACE 1 H1 ACE 1 -30.504 -5.569 -48.913 2 H2 ACE 1 H2 ACE 1 -29.706 -4.951 -47.466 3 H3 ACE 1 H3 ACE 1 -31.468 -5.002 -47.551 4 HA PRO 2 HA PRO 2 -31.939 -8.966 -45.760 5 HB2 PRO 2 HB2 PRO 2 -32.775 -10.422 -48.102 6 HB3 PRO 2 HB3 PRO 2 -33.777 -9.803 -46.780 7 HG2 PRO 2 HG2 PRO 2 -33.322 -8.698 -49.445 8 HG3 PRO 2 HG3 PRO 2 -34.621 -8.366 -48.289 9 HD2 PRO 2 HD2 PRO 2 -32.645 -6.562 -48.879 10 HD3 PRO 2 HD3 PRO 2 -33.481 -6.610 -47.310 11 H THR 3 H THR 3 -31.300 -11.371 -46.074 12 HA THR 3 HA THR 3 -28.527 -11.412 -46.979 13 HB THR 3 HB THR 3 -30.169 -13.522 -45.556 14 HG1 THR 3 HG1 THR 3 -28.724 -11.309 -44.761 15 HG21 THR 3 HG21 THR 3 -28.400 -14.683 -46.568 16 HG22 THR 3 HG22 THR 3 -27.741 -14.274 -44.985 17 HG23 THR 3 HG23 THR 3 -27.288 -13.325 -46.401 18 H THR 4 H THR 4 -27.744 -13.353 -48.177 19 HA THR 4 HA THR 4 -29.702 -14.657 -49.902 20 HB THR 4 HB THR 4 -27.748 -13.830 -51.721 21 HG1 THR 4 HG1 THR 4 -28.572 -11.417 -51.024 22 HG21 THR 4 HG21 THR 4 -29.656 -12.442 -52.616 23 HG22 THR 4 HG22 THR 4 -30.558 -12.856 -51.158 24 HG23 THR 4 HG23 THR 4 -30.074 -14.123 -52.285 25 H THR 5 H THR 5 -28.914 -16.536 -50.892 26 HA THR 5 HA THR 5 -26.125 -17.291 -50.458 27 HB THR 5 HB THR 5 -27.204 -19.572 -49.559 28 HG21 THR 5 HG21 THR 5 -25.479 -18.085 -48.467 29 HG22 THR 5 HG22 THR 5 -26.584 -18.865 -47.335 30 HG23 THR 5 HG23 THR 5 -26.808 -17.167 -47.761 31 HA PRO 6 HA PRO 6 -26.246 -19.394 -54.275 32 HB2 PRO 6 HB2 PRO 6 -25.668 -22.030 -53.269 33 HB3 PRO 6 HB3 PRO 6 -24.564 -20.894 -54.058 34 HG2 PRO 6 HG2 PRO 6 -24.901 -21.497 -51.220 35 HG3 PRO 6 HG3 PRO 6 -23.549 -20.723 -52.058 36 HD2 PRO 6 HD2 PRO 6 -25.254 -19.365 -50.400 37 HD3 PRO 6 HD3 PRO 6 -24.408 -18.598 -51.762 38 H LEU 7 H LEU 7 -28.663 -19.035 -54.109 39 HA LEU 7 HA LEU 7 -30.031 -21.471 -54.721 40 HB2 LEU 7 HB2 LEU 7 -29.940 -21.280 -52.109 41 HB3 LEU 7 HB3 LEU 7 -31.200 -20.068 -52.342 42 HG LEU 7 HG LEU 7 -32.204 -21.967 -53.932 43 HD11 LEU 7 HD11 LEU 7 -30.657 -23.498 -51.818 44 HD12 LEU 7 HD12 LEU 7 -30.296 -23.500 -53.545 45 HD13 LEU 7 HD13 LEU 7 -31.809 -24.193 -52.959 46 HD21 LEU 7 HD21 LEU 7 -33.456 -22.797 -51.869 47 HD22 LEU 7 HD22 LEU 7 -33.467 -21.050 -52.111 48 HD23 LEU 7 HD23 LEU 7 -32.387 -21.768 -50.916 49 H LYS 8 H LYS 8 -32.604 -20.207 -53.759 50 HA LYS 8 HA LYS 8 -32.837 -17.731 -55.220 51 HB2 LYS 8 HB2 LYS 8 -32.856 -19.727 -56.920 52 HB3 LYS 8 HB3 LYS 8 -34.500 -19.965 -56.327 53 HG2 LYS 8 HG2 LYS 8 -35.004 -17.584 -56.839 54 HG3 LYS 8 HG3 LYS 8 -33.380 -17.406 -57.506 55 HD2 LYS 8 HD2 LYS 8 -33.826 -18.954 -59.269 56 HD3 LYS 8 HD3 LYS 8 -35.318 -19.502 -58.502 57 HE2 LYS 8 HE2 LYS 8 -35.228 -16.603 -59.001 58 HE3 LYS 8 HE3 LYS 8 -35.187 -17.584 -60.466 59 HZ1 LYS 8 HZ1 LYS 8 -37.330 -18.019 -60.223 60 HZ2 LYS 8 HZ2 LYS 8 -37.385 -17.002 -58.863 61 HZ3 LYS 8 HZ3 LYS 8 -37.070 -18.660 -58.675 62 HN1 NH2 9 HN1 NH2 9 -35.936 -19.328 -55.356 63 HN2 NH2 9 HN2 NH2 9 -36.371 -17.916 -54.522 64 H1 A2G 10 H1 A2G 10 -29.282 -19.566 -50.492 65 H2 A2G 10 H2 A2G 10 -31.566 -19.978 -49.648 66 HN2 A2G 10 HN2 A2G 10 -30.875 -17.100 -49.730 67 H3 A2G 10 H3 A2G 10 -30.799 -18.120 -47.382 68 HO3 A2G 10 HO3 A2G 10 -32.878 -18.013 -47.282 69 H4 A2G 10 H4 A2G 10 -30.816 -20.060 -45.943 70 HO4 A2G 10 HO4 A2G 10 -32.369 -21.070 -47.678 71 H5 A2G 10 H5 A2G 10 -28.691 -19.612 -47.113 72 H6 A2G 10 H6 A2G 10 -29.374 -22.566 -46.930 73 H8 A2G 10 H8 A2G 10 -32.394 -16.746 -52.685 74 H8A A2G 10 H8A A2G 10 -33.486 -16.239 -51.395 75 H8B A2G 10 H8B A2G 10 -31.762 -15.883 -51.283 76 H14 A2G 10 H14 A2G 10 -27.740 -21.903 -46.979 77 H15 A2G 10 H15 A2G 10 -28.225 -22.153 -44.856 Start of MODEL 9 1 H1 ACE 1 H1 ACE 1 -28.638 -9.728 -51.001 2 H2 ACE 1 H2 ACE 1 -27.286 -10.844 -51.186 3 H3 ACE 1 H3 ACE 1 -26.983 -9.145 -50.820 4 HA PRO 2 HA PRO 2 -26.932 -9.571 -46.465 5 HB2 PRO 2 HB2 PRO 2 -29.421 -8.258 -45.850 6 HB3 PRO 2 HB3 PRO 2 -27.779 -7.609 -45.717 7 HG2 PRO 2 HG2 PRO 2 -29.781 -7.194 -47.802 8 HG3 PRO 2 HG3 PRO 2 -28.340 -6.244 -47.414 9 HD2 PRO 2 HD2 PRO 2 -28.551 -7.794 -49.663 10 HD3 PRO 2 HD3 PRO 2 -27.000 -7.439 -48.869 11 H THR 3 H THR 3 -30.448 -9.585 -47.059 12 HA THR 3 HA THR 3 -30.715 -12.001 -45.448 13 HB THR 3 HB THR 3 -32.346 -10.323 -44.985 14 HG1 THR 3 HG1 THR 3 -33.079 -12.626 -46.277 15 HG21 THR 3 HG21 THR 3 -33.839 -9.475 -46.835 16 HG22 THR 3 HG22 THR 3 -32.758 -10.265 -47.983 17 HG23 THR 3 HG23 THR 3 -32.158 -8.958 -46.963 18 H THR 4 H THR 4 -29.300 -12.640 -47.660 19 HA THR 4 HA THR 4 -31.130 -14.448 -49.037 20 HB THR 4 HB THR 4 -30.267 -13.791 -51.272 21 HG1 THR 4 HG1 THR 4 -29.448 -11.364 -50.795 22 HG21 THR 4 HG21 THR 4 -31.460 -11.402 -49.858 23 HG22 THR 4 HG22 THR 4 -32.395 -12.856 -50.209 24 HG23 THR 4 HG23 THR 4 -31.707 -11.910 -51.529 25 H THR 5 H THR 5 -29.916 -16.026 -50.399 26 HA THR 5 HA THR 5 -27.077 -16.310 -49.771 27 HB THR 5 HB THR 5 -27.743 -18.824 -49.184 28 HG21 THR 5 HG21 THR 5 -28.042 -16.598 -47.152 29 HG22 THR 5 HG22 THR 5 -26.485 -17.145 -47.777 30 HG23 THR 5 HG23 THR 5 -27.501 -18.249 -46.852 31 HA PRO 6 HA PRO 6 -26.483 -17.989 -53.745 32 HB2 PRO 6 HB2 PRO 6 -25.572 -20.601 -52.944 33 HB3 PRO 6 HB3 PRO 6 -24.603 -19.225 -53.490 34 HG2 PRO 6 HG2 PRO 6 -25.099 -20.192 -50.780 35 HG3 PRO 6 HG3 PRO 6 -23.821 -19.128 -51.384 36 HD2 PRO 6 HD2 PRO 6 -25.876 -18.249 -49.799 37 HD3 PRO 6 HD3 PRO 6 -25.044 -17.210 -50.979 38 H LEU 7 H LEU 7 -28.774 -18.083 -54.186 39 HA LEU 7 HA LEU 7 -29.670 -20.707 -54.889 40 HB2 LEU 7 HB2 LEU 7 -30.336 -19.830 -52.279 41 HB3 LEU 7 HB3 LEU 7 -31.806 -19.717 -53.249 42 HG LEU 7 HG LEU 7 -30.036 -22.168 -53.284 43 HD11 LEU 7 HD11 LEU 7 -31.698 -23.165 -51.713 44 HD12 LEU 7 HD12 LEU 7 -32.441 -21.575 -51.532 45 HD13 LEU 7 HD13 LEU 7 -30.787 -21.844 -50.981 46 HD21 LEU 7 HD21 LEU 7 -32.910 -21.598 -54.076 47 HD22 LEU 7 HD22 LEU 7 -32.181 -23.204 -54.076 48 HD23 LEU 7 HD23 LEU 7 -31.570 -21.959 -55.164 49 H LYS 8 H LYS 8 -32.338 -20.317 -55.224 50 HA LYS 8 HA LYS 8 -32.386 -18.417 -57.398 51 HB2 LYS 8 HB2 LYS 8 -34.441 -20.306 -56.242 52 HB3 LYS 8 HB3 LYS 8 -34.797 -19.208 -57.576 53 HG2 LYS 8 HG2 LYS 8 -33.274 -20.270 -59.022 54 HG3 LYS 8 HG3 LYS 8 -32.406 -21.037 -57.692 55 HD2 LYS 8 HD2 LYS 8 -35.298 -21.705 -58.034 56 HD3 LYS 8 HD3 LYS 8 -34.151 -22.404 -59.177 57 HE2 LYS 8 HE2 LYS 8 -32.961 -23.532 -57.478 58 HE3 LYS 8 HE3 LYS 8 -33.653 -22.528 -56.205 59 HZ1 LYS 8 HZ1 LYS 8 -35.475 -24.115 -57.856 60 HZ2 LYS 8 HZ2 LYS 8 -35.600 -23.674 -56.221 61 HZ3 LYS 8 HZ3 LYS 8 -34.553 -24.928 -56.688 62 HN1 NH2 9 HN1 NH2 9 -31.945 -16.703 -55.341 63 HN2 NH2 9 HN2 NH2 9 -33.333 -16.189 -54.510 64 H1 A2G 10 H1 A2G 10 -29.614 -19.270 -50.262 65 H2 A2G 10 H2 A2G 10 -31.858 -20.165 -49.746 66 HN2 A2G 10 HN2 A2G 10 -31.729 -17.207 -49.763 67 H3 A2G 10 H3 A2G 10 -31.809 -18.255 -47.396 68 HO3 A2G 10 HO3 A2G 10 -33.743 -19.410 -48.751 69 H4 A2G 10 H4 A2G 10 -31.623 -20.200 -45.973 70 HO4 A2G 10 HO4 A2G 10 -32.215 -21.471 -48.342 71 H5 A2G 10 H5 A2G 10 -29.497 -19.293 -46.834 72 H6 A2G 10 H6 A2G 10 -29.536 -22.328 -46.781 73 H8 A2G 10 H8 A2G 10 -32.910 -16.980 -52.760 74 H8A A2G 10 H8A A2G 10 -34.370 -16.950 -51.771 75 H8B A2G 10 H8B A2G 10 -32.910 -16.130 -51.215 76 H14 A2G 10 H14 A2G 10 -28.117 -21.313 -46.527 77 H15 A2G 10 H15 A2G 10 -30.461 -21.417 -44.938 Start of MODEL 10 1 H1 ACE 1 H1 ACE 1 -26.838 -11.566 -44.019 2 H2 ACE 1 H2 ACE 1 -27.603 -10.284 -43.081 3 H3 ACE 1 H3 ACE 1 -26.326 -9.892 -44.231 4 HA PRO 2 HA PRO 2 -28.947 -9.153 -47.658 5 HB2 PRO 2 HB2 PRO 2 -28.313 -11.485 -49.227 6 HB3 PRO 2 HB3 PRO 2 -27.720 -9.830 -49.436 7 HG2 PRO 2 HG2 PRO 2 -26.417 -12.131 -48.198 8 HG3 PRO 2 HG3 PRO 2 -25.713 -10.627 -48.809 9 HD2 PRO 2 HD2 PRO 2 -25.879 -11.227 -46.141 10 HD3 PRO 2 HD3 PRO 2 -25.886 -9.561 -46.765 11 H THR 3 H THR 3 -30.873 -9.924 -48.792 12 HA THR 3 HA THR 3 -32.377 -11.819 -47.162 13 HB THR 3 HB THR 3 -34.269 -11.076 -48.715 14 HG1 THR 3 HG1 THR 3 -33.551 -8.900 -49.607 15 HG21 THR 3 HG21 THR 3 -34.491 -8.911 -47.560 16 HG22 THR 3 HG22 THR 3 -32.791 -8.980 -47.101 17 HG23 THR 3 HG23 THR 3 -33.928 -10.160 -46.451 18 H THR 4 H THR 4 -30.191 -12.576 -49.143 19 HA THR 4 HA THR 4 -31.662 -14.794 -50.340 20 HB THR 4 HB THR 4 -30.070 -14.100 -52.462 21 HG1 THR 4 HG1 THR 4 -29.613 -12.082 -51.613 22 HG21 THR 4 HG21 THR 4 -32.367 -14.870 -52.633 23 HG22 THR 4 HG22 THR 4 -32.217 -13.342 -53.502 24 HG23 THR 4 HG23 THR 4 -32.959 -13.378 -51.901 25 H THR 5 H THR 5 -30.230 -16.480 -51.147 26 HA THR 5 HA THR 5 -27.412 -16.285 -50.400 27 HB THR 5 HB THR 5 -27.914 -18.677 -49.259 28 HG21 THR 5 HG21 THR 5 -28.384 -16.142 -47.693 29 HG22 THR 5 HG22 THR 5 -26.798 -16.517 -48.365 30 HG23 THR 5 HG23 THR 5 -27.536 -17.603 -47.187 31 HA PRO 6 HA PRO 6 -26.464 -18.780 -53.845 32 HB2 PRO 6 HB2 PRO 6 -25.277 -20.978 -52.410 33 HB3 PRO 6 HB3 PRO 6 -24.461 -19.665 -53.273 34 HG2 PRO 6 HG2 PRO 6 -24.945 -19.993 -50.412 35 HG3 PRO 6 HG3 PRO 6 -23.784 -18.955 -51.250 36 HD2 PRO 6 HD2 PRO 6 -25.993 -17.985 -49.952 37 HD3 PRO 6 HD3 PRO 6 -25.246 -17.168 -51.346 38 H LEU 7 H LEU 7 -28.862 -19.164 -53.977 39 HA LEU 7 HA LEU 7 -29.385 -21.962 -54.273 40 HB2 LEU 7 HB2 LEU 7 -29.724 -21.398 -51.744 41 HB3 LEU 7 HB3 LEU 7 -31.218 -20.641 -52.297 42 HG LEU 7 HG LEU 7 -31.452 -22.946 -53.626 43 HD11 LEU 7 HD11 LEU 7 -29.223 -23.720 -52.728 44 HD12 LEU 7 HD12 LEU 7 -30.560 -24.816 -52.383 45 HD13 LEU 7 HD13 LEU 7 -29.947 -23.747 -51.121 46 HD21 LEU 7 HD21 LEU 7 -32.602 -23.819 -51.446 47 HD22 LEU 7 HD22 LEU 7 -33.197 -22.327 -52.177 48 HD23 LEU 7 HD23 LEU 7 -32.132 -22.258 -50.773 49 H LYS 8 H LYS 8 -29.626 -19.031 -55.378 50 HA LYS 8 HA LYS 8 -31.916 -19.602 -57.036 51 HB2 LYS 8 HB2 LYS 8 -33.174 -18.676 -55.235 52 HB3 LYS 8 HB3 LYS 8 -32.011 -17.371 -55.002 53 HG2 LYS 8 HG2 LYS 8 -32.790 -16.168 -56.801 54 HG3 LYS 8 HG3 LYS 8 -33.248 -17.614 -57.703 55 HD2 LYS 8 HD2 LYS 8 -35.248 -16.370 -56.973 56 HD3 LYS 8 HD3 LYS 8 -35.170 -17.950 -56.190 57 HE2 LYS 8 HE2 LYS 8 -34.933 -17.040 -54.130 58 HE3 LYS 8 HE3 LYS 8 -33.763 -15.851 -54.699 59 HZ1 LYS 8 HZ1 LYS 8 -35.780 -14.739 -55.772 60 HZ2 LYS 8 HZ2 LYS 8 -35.593 -14.589 -54.091 61 HZ3 LYS 8 HZ3 LYS 8 -36.711 -15.699 -54.729 62 HN1 NH2 9 HN1 NH2 9 -31.934 -17.781 -58.965 63 HN2 NH2 9 HN2 NH2 9 -30.311 -18.035 -59.389 64 H1 A2G 10 H1 A2G 10 -29.786 -19.492 -50.112 65 H2 A2G 10 H2 A2G 10 -31.935 -20.351 -49.251 66 HN2 A2G 10 HN2 A2G 10 -32.146 -17.490 -49.984 67 H3 A2G 10 H3 A2G 10 -31.944 -17.876 -47.507 68 HO3 A2G 10 HO3 A2G 10 -33.984 -18.573 -48.074 69 H4 A2G 10 H4 A2G 10 -31.560 -19.343 -45.626 70 HO4 A2G 10 HO4 A2G 10 -32.620 -21.136 -47.024 71 H5 A2G 10 H5 A2G 10 -29.541 -18.574 -46.816 72 H6 A2G 10 H6 A2G 10 -29.144 -21.487 -46.113 73 H8 A2G 10 H8 A2G 10 -33.133 -18.004 -52.978 74 H8A A2G 10 H8A A2G 10 -34.655 -18.180 -52.106 75 H8B A2G 10 H8B A2G 10 -33.486 -16.960 -51.601 76 H14 A2G 10 H14 A2G 10 -28.022 -20.148 -45.879 77 H15 A2G 10 H15 A2G 10 -30.523 -20.460 -44.582 Start of MODEL 11 1 H1 ACE 1 H1 ACE 1 -24.434 -9.200 -49.032 2 H2 ACE 1 H2 ACE 1 -23.555 -8.654 -47.604 3 H3 ACE 1 H3 ACE 1 -24.431 -7.491 -48.599 4 HA PRO 2 HA PRO 2 -28.201 -7.677 -46.383 5 HB2 PRO 2 HB2 PRO 2 -29.803 -9.066 -48.332 6 HB3 PRO 2 HB3 PRO 2 -29.778 -7.334 -47.970 7 HG2 PRO 2 HG2 PRO 2 -28.505 -8.798 -50.153 8 HG3 PRO 2 HG3 PRO 2 -28.866 -7.071 -50.008 9 HD2 PRO 2 HD2 PRO 2 -26.323 -8.082 -49.893 10 HD3 PRO 2 HD3 PRO 2 -26.812 -6.585 -49.068 11 H THR 3 H THR 3 -30.004 -9.267 -45.670 12 HA THR 3 HA THR 3 -28.695 -11.757 -44.895 13 HB THR 3 HB THR 3 -29.758 -10.814 -43.052 14 HG1 THR 3 HG1 THR 3 -30.814 -12.960 -44.104 15 HG21 THR 3 HG21 THR 3 -30.957 -8.990 -43.818 16 HG22 THR 3 HG22 THR 3 -32.283 -10.079 -43.408 17 HG23 THR 3 HG23 THR 3 -31.760 -9.918 -45.085 18 H THR 4 H THR 4 -28.730 -12.735 -47.018 19 HA THR 4 HA THR 4 -31.210 -14.204 -47.471 20 HB THR 4 HB THR 4 -30.411 -13.493 -50.063 21 HG1 THR 4 HG1 THR 4 -30.218 -11.406 -48.205 22 HG21 THR 4 HG21 THR 4 -32.614 -12.347 -50.086 23 HG22 THR 4 HG22 THR 4 -32.681 -12.480 -48.329 24 HG23 THR 4 HG23 THR 4 -32.702 -13.935 -49.324 25 H THR 5 H THR 5 -30.686 -15.561 -49.695 26 HA THR 5 HA THR 5 -27.933 -16.549 -49.620 27 HB THR 5 HB THR 5 -28.737 -18.907 -49.367 28 HG21 THR 5 HG21 THR 5 -28.028 -17.212 -47.445 29 HG22 THR 5 HG22 THR 5 -28.639 -18.820 -47.054 30 HG23 THR 5 HG23 THR 5 -29.710 -17.423 -46.958 31 HA PRO 6 HA PRO 6 -28.168 -17.089 -53.940 32 HB2 PRO 6 HB2 PRO 6 -27.641 -19.921 -53.970 33 HB3 PRO 6 HB3 PRO 6 -26.521 -18.596 -54.318 34 HG2 PRO 6 HG2 PRO 6 -26.832 -20.180 -51.885 35 HG3 PRO 6 HG3 PRO 6 -25.473 -19.179 -52.416 36 HD2 PRO 6 HD2 PRO 6 -27.121 -18.486 -50.340 37 HD3 PRO 6 HD3 PRO 6 -26.275 -17.292 -51.351 38 H LEU 7 H LEU 7 -29.932 -17.233 -55.201 39 HA LEU 7 HA LEU 7 -32.287 -18.605 -54.329 40 HB2 LEU 7 HB2 LEU 7 -31.661 -17.332 -57.005 41 HB3 LEU 7 HB3 LEU 7 -33.261 -17.810 -56.437 42 HG LEU 7 HG LEU 7 -32.367 -16.273 -54.345 43 HD11 LEU 7 HD11 LEU 7 -31.555 -14.771 -56.836 44 HD12 LEU 7 HD12 LEU 7 -30.385 -15.712 -55.910 45 HD13 LEU 7 HD13 LEU 7 -31.227 -14.361 -55.153 46 HD21 LEU 7 HD21 LEU 7 -33.851 -15.332 -56.821 47 HD22 LEU 7 HD22 LEU 7 -33.903 -14.561 -55.235 48 HD23 LEU 7 HD23 LEU 7 -34.580 -16.174 -55.454 49 H LYS 8 H LYS 8 -33.108 -20.537 -54.944 50 HA LYS 8 HA LYS 8 -32.150 -21.951 -57.269 51 HB2 LYS 8 HB2 LYS 8 -30.717 -22.313 -54.878 52 HB3 LYS 8 HB3 LYS 8 -31.741 -23.741 -55.039 53 HG2 LYS 8 HG2 LYS 8 -30.921 -24.086 -57.334 54 HG3 LYS 8 HG3 LYS 8 -29.909 -22.647 -57.195 55 HD2 LYS 8 HD2 LYS 8 -29.286 -24.173 -54.929 56 HD3 LYS 8 HD3 LYS 8 -29.397 -25.346 -56.243 57 HE2 LYS 8 HE2 LYS 8 -27.127 -24.545 -56.207 58 HE3 LYS 8 HE3 LYS 8 -27.912 -23.809 -57.605 59 HZ1 LYS 8 HZ1 LYS 8 -28.034 -21.771 -56.578 60 HZ2 LYS 8 HZ2 LYS 8 -26.546 -22.347 -55.995 61 HZ3 LYS 8 HZ3 LYS 8 -27.931 -22.416 -55.014 62 HN1 NH2 9 HN1 NH2 9 -34.756 -21.072 -55.885 63 HN2 NH2 9 HN2 NH2 9 -35.628 -22.494 -55.572 64 H1 A2G 10 H1 A2G 10 -30.428 -19.264 -50.819 65 H2 A2G 10 H2 A2G 10 -32.586 -20.457 -50.673 66 HN2 A2G 10 HN2 A2G 10 -32.814 -17.532 -50.278 67 H3 A2G 10 H3 A2G 10 -32.983 -18.915 -48.096 68 HO3 A2G 10 HO3 A2G 10 -34.702 -20.678 -48.106 69 H4 A2G 10 H4 A2G 10 -32.698 -21.015 -46.934 70 HO4 A2G 10 HO4 A2G 10 -31.765 -22.620 -48.781 71 H5 A2G 10 H5 A2G 10 -30.626 -19.770 -47.432 72 H6 A2G 10 H6 A2G 10 -30.770 -22.701 -47.188 73 H8 A2G 10 H8 A2G 10 -34.287 -17.243 -53.424 74 H8A A2G 10 H8A A2G 10 -35.242 -17.061 -51.953 75 H8B A2G 10 H8B A2G 10 -33.620 -16.374 -52.042 76 H14 A2G 10 H14 A2G 10 -29.232 -22.120 -47.828 77 H15 A2G 10 H15 A2G 10 -28.761 -21.362 -45.942 Start of MODEL 12 1 H1 ACE 1 H1 ACE 1 -24.811 -7.024 -44.881 2 H2 ACE 1 H2 ACE 1 -25.474 -8.087 -43.640 3 H3 ACE 1 H3 ACE 1 -26.223 -6.521 -43.951 4 HA PRO 2 HA PRO 2 -27.336 -9.295 -47.711 5 HB2 PRO 2 HB2 PRO 2 -26.580 -12.019 -47.154 6 HB3 PRO 2 HB3 PRO 2 -25.969 -10.951 -48.425 7 HG2 PRO 2 HG2 PRO 2 -24.523 -11.850 -46.250 8 HG3 PRO 2 HG3 PRO 2 -24.107 -10.460 -47.263 9 HD2 PRO 2 HD2 PRO 2 -25.334 -10.509 -44.546 10 HD3 PRO 2 HD3 PRO 2 -24.284 -9.283 -45.292 11 H THR 3 H THR 3 -29.481 -9.154 -47.215 12 HA THR 3 HA THR 3 -30.633 -10.836 -45.129 13 HB THR 3 HB THR 3 -32.700 -9.596 -45.581 14 HG1 THR 3 HG1 THR 3 -32.876 -8.305 -47.286 15 HG21 THR 3 HG21 THR 3 -30.265 -8.534 -44.630 16 HG22 THR 3 HG22 THR 3 -31.892 -7.951 -44.280 17 HG23 THR 3 HG23 THR 3 -30.985 -7.274 -45.633 18 H THR 4 H THR 4 -29.530 -11.997 -47.639 19 HA THR 4 HA THR 4 -31.836 -13.667 -48.273 20 HB THR 4 HB THR 4 -30.517 -13.049 -50.753 21 HG1 THR 4 HG1 THR 4 -30.387 -10.975 -50.643 22 HG21 THR 4 HG21 THR 4 -32.802 -12.620 -51.467 23 HG22 THR 4 HG22 THR 4 -33.331 -12.466 -49.791 24 HG23 THR 4 HG23 THR 4 -32.790 -14.028 -50.406 25 H THR 5 H THR 5 -30.945 -15.270 -50.161 26 HA THR 5 HA THR 5 -28.173 -16.032 -49.620 27 HB THR 5 HB THR 5 -28.910 -18.405 -49.154 28 HG21 THR 5 HG21 THR 5 -28.410 -16.413 -47.437 29 HG22 THR 5 HG22 THR 5 -28.930 -18.004 -46.883 30 HG23 THR 5 HG23 THR 5 -30.101 -16.692 -47.020 31 HA PRO 6 HA PRO 6 -27.849 -17.194 -53.814 32 HB2 PRO 6 HB2 PRO 6 -27.129 -19.944 -53.353 33 HB3 PRO 6 HB3 PRO 6 -26.069 -18.591 -53.775 34 HG2 PRO 6 HG2 PRO 6 -26.559 -19.831 -51.178 35 HG3 PRO 6 HG3 PRO 6 -25.220 -18.800 -51.704 36 HD2 PRO 6 HD2 PRO 6 -27.155 -17.967 -49.950 37 HD3 PRO 6 HD3 PRO 6 -26.274 -16.859 -51.027 38 H LEU 7 H LEU 7 -29.644 -17.439 -55.013 39 HA LEU 7 HA LEU 7 -31.825 -19.123 -54.228 40 HB2 LEU 7 HB2 LEU 7 -32.538 -18.511 -56.693 41 HB3 LEU 7 HB3 LEU 7 -32.570 -17.287 -55.423 42 HG LEU 7 HG LEU 7 -31.424 -16.617 -57.617 43 HD11 LEU 7 HD11 LEU 7 -30.755 -16.125 -54.879 44 HD12 LEU 7 HD12 LEU 7 -30.551 -15.048 -56.261 45 HD13 LEU 7 HD13 LEU 7 -29.259 -16.160 -55.811 46 HD21 LEU 7 HD21 LEU 7 -29.218 -17.458 -58.036 47 HD22 LEU 7 HD22 LEU 7 -30.238 -18.872 -57.777 48 HD23 LEU 7 HD23 LEU 7 -29.176 -18.305 -56.489 49 H LYS 8 H LYS 8 -32.801 -20.548 -56.108 50 HA LYS 8 HA LYS 8 -30.870 -22.014 -57.672 51 HB2 LYS 8 HB2 LYS 8 -31.027 -22.835 -55.076 52 HB3 LYS 8 HB3 LYS 8 -32.263 -23.844 -55.829 53 HG2 LYS 8 HG2 LYS 8 -30.507 -24.351 -57.640 54 HG3 LYS 8 HG3 LYS 8 -29.329 -23.657 -56.525 55 HD2 LYS 8 HD2 LYS 8 -31.181 -25.983 -55.927 56 HD3 LYS 8 HD3 LYS 8 -29.448 -26.095 -56.231 57 HE2 LYS 8 HE2 LYS 8 -29.403 -26.018 -53.927 58 HE3 LYS 8 HE3 LYS 8 -29.371 -24.287 -54.263 59 HZ1 LYS 8 HZ1 LYS 8 -31.105 -25.243 -52.618 60 HZ2 LYS 8 HZ2 LYS 8 -31.952 -25.675 -54.025 61 HZ3 LYS 8 HZ3 LYS 8 -31.575 -24.046 -53.724 62 HN1 NH2 9 HN1 NH2 9 -32.459 -23.807 -59.183 63 HN2 NH2 9 HN2 NH2 9 -33.126 -22.357 -59.758 64 H1 A2G 10 H1 A2G 10 -30.533 -18.968 -50.689 65 H2 A2G 10 H2 A2G 10 -32.632 -20.233 -50.502 66 HN2 A2G 10 HN2 A2G 10 -33.019 -17.302 -50.381 67 H3 A2G 10 H3 A2G 10 -33.229 -18.491 -48.098 68 HO3 A2G 10 HO3 A2G 10 -34.657 -20.085 -49.731 69 H4 A2G 10 H4 A2G 10 -32.856 -20.436 -46.721 70 HO4 A2G 10 HO4 A2G 10 -33.439 -21.769 -48.786 71 H5 A2G 10 H5 A2G 10 -30.834 -19.132 -47.269 72 H6 A2G 10 H6 A2G 10 -29.863 -21.943 -47.516 73 H8 A2G 10 H8 A2G 10 -33.732 -17.022 -53.432 74 H8A A2G 10 H8A A2G 10 -35.350 -17.408 -52.846 75 H8B A2G 10 H8B A2G 10 -34.290 -16.372 -51.890 76 H14 A2G 10 H14 A2G 10 -29.373 -20.681 -46.385 77 H15 A2G 10 H15 A2G 10 -31.898 -21.957 -46.321 Start of MODEL 13 1 H1 ACE 1 H1 ACE 1 -25.963 -12.435 -47.803 2 H2 ACE 1 H2 ACE 1 -26.434 -14.073 -47.348 3 H3 ACE 1 H3 ACE 1 -25.110 -13.270 -46.504 4 HA PRO 2 HA PRO 2 -27.937 -11.221 -43.777 5 HB2 PRO 2 HB2 PRO 2 -27.605 -8.463 -44.549 6 HB3 PRO 2 HB3 PRO 2 -26.831 -9.326 -43.213 7 HG2 PRO 2 HG2 PRO 2 -25.529 -8.391 -45.463 8 HG3 PRO 2 HG3 PRO 2 -24.925 -9.653 -44.380 9 HD2 PRO 2 HD2 PRO 2 -26.208 -9.930 -47.065 10 HD3 PRO 2 HD3 PRO 2 -24.956 -10.938 -46.305 11 H THR 3 H THR 3 -28.294 -9.755 -46.993 12 HA THR 3 HA THR 3 -31.087 -9.086 -46.479 13 HB THR 3 HB THR 3 -30.200 -7.410 -47.785 14 HG1 THR 3 HG1 THR 3 -30.745 -7.930 -50.024 15 HG21 THR 3 HG21 THR 3 -28.611 -8.057 -49.749 16 HG22 THR 3 HG22 THR 3 -28.463 -9.597 -48.903 17 HG23 THR 3 HG23 THR 3 -27.982 -8.101 -48.102 18 H THR 4 H THR 4 -29.174 -11.345 -48.412 19 HA THR 4 HA THR 4 -31.511 -13.075 -48.667 20 HB THR 4 HB THR 4 -30.292 -13.045 -51.241 21 HG1 THR 4 HG1 THR 4 -31.019 -10.518 -50.192 22 HG21 THR 4 HG21 THR 4 -32.981 -12.003 -50.312 23 HG22 THR 4 HG22 THR 4 -32.619 -13.694 -50.651 24 HG23 THR 4 HG23 THR 4 -32.568 -12.504 -51.951 25 H THR 5 H THR 5 -30.593 -14.960 -50.335 26 HA THR 5 HA THR 5 -27.861 -15.676 -49.580 27 HB THR 5 HB THR 5 -28.688 -17.959 -48.831 28 HG21 THR 5 HG21 THR 5 -29.859 -15.967 -46.953 29 HG22 THR 5 HG22 THR 5 -28.165 -15.745 -47.392 30 HG23 THR 5 HG23 THR 5 -28.692 -17.253 -46.645 31 HA PRO 6 HA PRO 6 -27.406 -17.427 -53.553 32 HB2 PRO 6 HB2 PRO 6 -26.758 -20.092 -52.676 33 HB3 PRO 6 HB3 PRO 6 -25.657 -18.828 -53.241 34 HG2 PRO 6 HG2 PRO 6 -26.272 -19.678 -50.517 35 HG3 PRO 6 HG3 PRO 6 -24.895 -18.752 -51.127 36 HD2 PRO 6 HD2 PRO 6 -26.879 -17.651 -49.592 37 HD3 PRO 6 HD3 PRO 6 -25.935 -16.721 -50.777 38 H LEU 7 H LEU 7 -29.240 -17.713 -54.689 39 HA LEU 7 HA LEU 7 -31.445 -19.332 -53.809 40 HB2 LEU 7 HB2 LEU 7 -32.344 -18.835 -56.102 41 HB3 LEU 7 HB3 LEU 7 -31.900 -17.401 -55.177 42 HG LEU 7 HG LEU 7 -29.656 -18.471 -56.712 43 HD11 LEU 7 HD11 LEU 7 -31.424 -19.126 -58.280 44 HD12 LEU 7 HD12 LEU 7 -30.539 -17.741 -58.918 45 HD13 LEU 7 HD13 LEU 7 -32.127 -17.511 -58.186 46 HD21 LEU 7 HD21 LEU 7 -29.883 -16.210 -55.585 47 HD22 LEU 7 HD22 LEU 7 -31.046 -15.781 -56.839 48 HD23 LEU 7 HD23 LEU 7 -29.375 -16.142 -57.273 49 H LYS 8 H LYS 8 -32.368 -21.099 -55.118 50 HA LYS 8 HA LYS 8 -30.351 -23.090 -55.666 51 HB2 LYS 8 HB2 LYS 8 -32.147 -24.630 -55.832 52 HB3 LYS 8 HB3 LYS 8 -32.624 -23.498 -54.566 53 HG2 LYS 8 HG2 LYS 8 -33.729 -22.175 -56.545 54 HG3 LYS 8 HG3 LYS 8 -33.647 -23.725 -57.383 55 HD2 LYS 8 HD2 LYS 8 -34.992 -23.197 -54.715 56 HD3 LYS 8 HD3 LYS 8 -35.803 -23.529 -56.247 57 HE2 LYS 8 HE2 LYS 8 -34.070 -25.404 -54.625 58 HE3 LYS 8 HE3 LYS 8 -35.766 -25.607 -55.064 59 HZ1 LYS 8 HZ1 LYS 8 -33.369 -26.040 -56.656 60 HZ2 LYS 8 HZ2 LYS 8 -34.697 -25.357 -57.467 61 HZ3 LYS 8 HZ3 LYS 8 -34.855 -26.857 -56.686 62 HN1 NH2 9 HN1 NH2 9 -31.721 -24.331 -58.311 63 HN2 NH2 9 HN2 NH2 9 -30.186 -23.757 -58.754 64 H1 A2G 10 H1 A2G 10 -30.294 -18.659 -50.316 65 H2 A2G 10 H2 A2G 10 -32.447 -19.823 -49.986 66 HN2 A2G 10 HN2 A2G 10 -32.766 -16.895 -50.297 67 H3 A2G 10 H3 A2G 10 -32.985 -17.711 -47.882 68 HO3 A2G 10 HO3 A2G 10 -34.407 -19.807 -49.070 69 H4 A2G 10 H4 A2G 10 -32.741 -19.461 -46.234 70 HO4 A2G 10 HO4 A2G 10 -32.606 -21.517 -46.765 71 H5 A2G 10 H5 A2G 10 -30.656 -18.334 -46.920 72 H6 A2G 10 H6 A2G 10 -30.067 -21.288 -46.651 73 H8 A2G 10 H8 A2G 10 -33.321 -16.957 -53.373 74 H8A A2G 10 H8A A2G 10 -34.959 -17.364 -52.861 75 H8B A2G 10 H8B A2G 10 -34.016 -16.187 -51.946 76 H14 A2G 10 H14 A2G 10 -29.139 -19.930 -46.015 77 H15 A2G 10 H15 A2G 10 -31.092 -19.456 -44.755 Start of MODEL 14 1 H1 ACE 1 H1 ACE 1 -29.599 -5.958 -44.782 2 H2 ACE 1 H2 ACE 1 -30.328 -6.637 -43.326 3 H3 ACE 1 H3 ACE 1 -31.321 -5.739 -44.474 4 HA PRO 2 HA PRO 2 -32.562 -9.187 -46.865 5 HB2 PRO 2 HB2 PRO 2 -31.055 -8.641 -49.258 6 HB3 PRO 2 HB3 PRO 2 -32.773 -8.346 -48.955 7 HG2 PRO 2 HG2 PRO 2 -30.526 -6.483 -48.891 8 HG3 PRO 2 HG3 PRO 2 -32.260 -6.159 -49.029 9 HD2 PRO 2 HD2 PRO 2 -30.807 -5.592 -46.777 10 HD3 PRO 2 HD3 PRO 2 -32.543 -5.976 -46.744 11 H THR 3 H THR 3 -31.732 -11.135 -48.077 12 HA THR 3 HA THR 3 -28.886 -11.694 -47.795 13 HB THR 3 HB THR 3 -30.200 -12.259 -45.599 14 HG1 THR 3 HG1 THR 3 -28.101 -12.923 -45.930 15 HG21 THR 3 HG21 THR 3 -30.743 -14.804 -47.111 16 HG22 THR 3 HG22 THR 3 -31.939 -13.509 -47.078 17 HG23 THR 3 HG23 THR 3 -31.418 -14.266 -45.573 18 H THR 4 H THR 4 -28.205 -13.517 -48.990 19 HA THR 4 HA THR 4 -30.189 -14.995 -50.538 20 HB THR 4 HB THR 4 -28.337 -14.261 -52.493 21 HG1 THR 4 HG1 THR 4 -29.122 -12.080 -50.866 22 HG21 THR 4 HG21 THR 4 -30.288 -13.042 -53.447 23 HG22 THR 4 HG22 THR 4 -31.119 -13.213 -51.900 24 HG23 THR 4 HG23 THR 4 -30.721 -14.645 -52.851 25 H THR 5 H THR 5 -29.426 -16.954 -51.313 26 HA THR 5 HA THR 5 -26.590 -17.597 -51.029 27 HB THR 5 HB THR 5 -27.506 -19.779 -49.790 28 HG21 THR 5 HG21 THR 5 -27.083 -17.160 -48.326 29 HG22 THR 5 HG22 THR 5 -25.774 -18.130 -49.000 30 HG23 THR 5 HG23 THR 5 -26.779 -18.783 -47.706 31 HA PRO 6 HA PRO 6 -26.953 -20.132 -54.560 32 HB2 PRO 6 HB2 PRO 6 -26.225 -22.623 -53.309 33 HB3 PRO 6 HB3 PRO 6 -25.219 -21.566 -54.310 34 HG2 PRO 6 HG2 PRO 6 -25.313 -21.840 -51.405 35 HG3 PRO 6 HG3 PRO 6 -24.054 -21.145 -52.434 36 HD2 PRO 6 HD2 PRO 6 -25.658 -19.635 -50.807 37 HD3 PRO 6 HD3 PRO 6 -24.944 -19.016 -52.313 38 H LEU 7 H LEU 7 -29.381 -19.749 -54.058 39 HA LEU 7 HA LEU 7 -30.747 -22.236 -54.417 40 HB2 LEU 7 HB2 LEU 7 -30.330 -21.968 -51.847 41 HB3 LEU 7 HB3 LEU 7 -31.632 -20.783 -51.946 42 HG LEU 7 HG LEU 7 -32.805 -22.735 -53.339 43 HD11 LEU 7 HD11 LEU 7 -32.239 -24.932 -52.381 44 HD12 LEU 7 HD12 LEU 7 -30.952 -24.193 -51.427 45 HD13 LEU 7 HD13 LEU 7 -30.836 -24.230 -53.187 46 HD21 LEU 7 HD21 LEU 7 -33.706 -23.561 -51.072 47 HD22 LEU 7 HD22 LEU 7 -33.862 -21.836 -51.404 48 HD23 LEU 7 HD23 LEU 7 -32.583 -22.417 -50.339 49 H LYS 8 H LYS 8 -30.441 -18.950 -54.673 50 HA LYS 8 HA LYS 8 -33.228 -18.240 -54.921 51 HB2 LYS 8 HB2 LYS 8 -31.619 -16.546 -54.237 52 HB3 LYS 8 HB3 LYS 8 -30.706 -16.773 -55.729 53 HG2 LYS 8 HG2 LYS 8 -32.186 -15.566 -56.970 54 HG3 LYS 8 HG3 LYS 8 -33.583 -16.213 -56.108 55 HD2 LYS 8 HD2 LYS 8 -33.113 -14.734 -54.201 56 HD3 LYS 8 HD3 LYS 8 -31.692 -14.100 -55.032 57 HE2 LYS 8 HE2 LYS 8 -33.912 -13.916 -56.821 58 HE3 LYS 8 HE3 LYS 8 -34.403 -13.232 -55.271 59 HZ1 LYS 8 HZ1 LYS 8 -33.258 -11.432 -55.804 60 HZ2 LYS 8 HZ2 LYS 8 -32.643 -12.162 -57.210 61 HZ3 LYS 8 HZ3 LYS 8 -31.829 -12.343 -55.730 62 HN1 NH2 9 HN1 NH2 9 -30.641 -19.138 -57.281 63 HN2 NH2 9 HN2 NH2 9 -31.514 -18.599 -58.633 64 H1 A2G 10 H1 A2G 10 -29.624 -19.988 -50.539 65 H2 A2G 10 H2 A2G 10 -31.836 -20.361 -49.505 66 HN2 A2G 10 HN2 A2G 10 -31.243 -17.514 -50.058 67 H3 A2G 10 H3 A2G 10 -31.023 -18.180 -47.566 68 HO3 A2G 10 HO3 A2G 10 -33.347 -19.237 -48.336 69 H4 A2G 10 H4 A2G 10 -30.873 -19.903 -45.877 70 HO4 A2G 10 HO4 A2G 10 -32.215 -21.310 -47.773 71 H5 A2G 10 H5 A2G 10 -28.840 -19.545 -47.228 72 H6 A2G 10 H6 A2G 10 -29.529 -22.332 -46.316 73 H8 A2G 10 H8 A2G 10 -33.575 -17.549 -52.655 74 H8A A2G 10 H8A A2G 10 -33.908 -16.729 -51.130 75 H8B A2G 10 H8B A2G 10 -32.302 -16.628 -51.853 76 H14 A2G 10 H14 A2G 10 -27.953 -21.998 -47.033 77 H15 A2G 10 H15 A2G 10 -28.588 -20.103 -45.240 Start of MODEL 15 1 H1 ACE 1 H1 ACE 1 -26.560 -12.884 -45.336 2 H2 ACE 1 H2 ACE 1 -26.313 -11.746 -46.660 3 H3 ACE 1 H3 ACE 1 -26.590 -13.453 -47.005 4 HA PRO 2 HA PRO 2 -30.853 -12.110 -44.995 5 HB2 PRO 2 HB2 PRO 2 -30.790 -9.231 -44.941 6 HB3 PRO 2 HB3 PRO 2 -30.977 -10.349 -43.581 7 HG2 PRO 2 HG2 PRO 2 -28.608 -8.905 -44.492 8 HG3 PRO 2 HG3 PRO 2 -28.938 -9.665 -42.928 9 HD2 PRO 2 HD2 PRO 2 -27.132 -10.667 -44.730 10 HD3 PRO 2 HD3 PRO 2 -28.008 -11.681 -43.560 11 H THR 3 H THR 3 -29.024 -10.634 -47.499 12 HA THR 3 HA THR 3 -31.352 -9.722 -49.000 13 HB THR 3 HB THR 3 -29.497 -9.258 -50.748 14 HG1 THR 3 HG1 THR 3 -27.440 -9.196 -49.868 15 HG21 THR 3 HG21 THR 3 -29.920 -7.922 -48.100 16 HG22 THR 3 HG22 THR 3 -30.336 -7.353 -49.718 17 HG23 THR 3 HG23 THR 3 -28.659 -7.312 -49.172 18 H THR 4 H THR 4 -28.646 -11.985 -49.578 19 HA THR 4 HA THR 4 -30.485 -13.855 -50.857 20 HB THR 4 HB THR 4 -28.448 -13.859 -52.701 21 HG1 THR 4 HG1 THR 4 -27.518 -11.992 -52.416 22 HG21 THR 4 HG21 THR 4 -30.790 -14.046 -53.262 23 HG22 THR 4 HG22 THR 4 -30.127 -12.677 -54.157 24 HG23 THR 4 HG23 THR 4 -31.100 -12.399 -52.712 25 H THR 5 H THR 5 -29.510 -15.950 -51.235 26 HA THR 5 HA THR 5 -26.888 -16.431 -50.044 27 HB THR 5 HB THR 5 -28.153 -18.402 -48.757 28 HG21 THR 5 HG21 THR 5 -28.072 -16.995 -46.765 29 HG22 THR 5 HG22 THR 5 -28.084 -15.538 -47.756 30 HG23 THR 5 HG23 THR 5 -26.690 -16.620 -47.794 31 HA PRO 6 HA PRO 6 -26.250 -19.525 -53.043 32 HB2 PRO 6 HB2 PRO 6 -25.908 -21.740 -51.235 33 HB3 PRO 6 HB3 PRO 6 -24.660 -20.814 -52.081 34 HG2 PRO 6 HG2 PRO 6 -25.563 -20.621 -49.313 35 HG3 PRO 6 HG3 PRO 6 -24.071 -20.033 -50.058 36 HD2 PRO 6 HD2 PRO 6 -26.087 -18.376 -49.211 37 HD3 PRO 6 HD3 PRO 6 -24.967 -17.959 -50.527 38 H LEU 7 H LEU 7 -28.616 -19.295 -53.531 39 HA LEU 7 HA LEU 7 -29.857 -21.871 -53.620 40 HB2 LEU 7 HB2 LEU 7 -30.344 -20.831 -51.251 41 HB3 LEU 7 HB3 LEU 7 -31.525 -19.871 -52.143 42 HG LEU 7 HG LEU 7 -32.133 -22.252 -53.180 43 HD11 LEU 7 HD11 LEU 7 -31.237 -22.969 -50.378 44 HD12 LEU 7 HD12 LEU 7 -30.269 -23.311 -51.812 45 HD13 LEU 7 HD13 LEU 7 -31.856 -24.056 -51.620 46 HD21 LEU 7 HD21 LEU 7 -32.982 -21.162 -50.482 47 HD22 LEU 7 HD22 LEU 7 -33.822 -22.478 -51.302 48 HD23 LEU 7 HD23 LEU 7 -33.757 -20.879 -52.041 49 H LYS 8 H LYS 8 -32.558 -20.558 -53.718 50 HA LYS 8 HA LYS 8 -32.428 -18.651 -55.878 51 HB2 LYS 8 HB2 LYS 8 -32.141 -21.207 -56.719 52 HB3 LYS 8 HB3 LYS 8 -33.901 -21.082 -56.707 53 HG2 LYS 8 HG2 LYS 8 -33.544 -18.836 -57.952 54 HG3 LYS 8 HG3 LYS 8 -31.914 -19.434 -58.264 55 HD2 LYS 8 HD2 LYS 8 -33.045 -21.573 -59.133 56 HD3 LYS 8 HD3 LYS 8 -34.541 -20.640 -59.140 57 HE2 LYS 8 HE2 LYS 8 -33.863 -20.096 -61.256 58 HE3 LYS 8 HE3 LYS 8 -32.898 -18.892 -60.401 59 HZ1 LYS 8 HZ1 LYS 8 -31.486 -20.088 -61.884 60 HZ2 LYS 8 HZ2 LYS 8 -32.018 -21.585 -61.285 61 HZ3 LYS 8 HZ3 LYS 8 -31.090 -20.555 -60.303 62 HN1 NH2 9 HN1 NH2 9 -35.336 -19.298 -53.366 63 HN2 NH2 9 HN2 NH2 9 -34.476 -20.716 -53.734 64 H1 A2G 10 H1 A2G 10 -30.033 -18.748 -50.104 65 H2 A2G 10 H2 A2G 10 -32.435 -19.043 -49.639 66 HN2 A2G 10 HN2 A2G 10 -31.715 -16.280 -50.419 67 H3 A2G 10 H3 A2G 10 -32.159 -16.609 -47.862 68 HO3 A2G 10 HO3 A2G 10 -34.283 -18.408 -48.396 69 H4 A2G 10 H4 A2G 10 -32.465 -18.096 -45.987 70 HO4 A2G 10 HO4 A2G 10 -32.360 -20.324 -47.688 71 H5 A2G 10 H5 A2G 10 -30.142 -17.875 -46.781 72 H6 A2G 10 H6 A2G 10 -30.606 -20.791 -46.131 73 H8 A2G 10 H8 A2G 10 -32.300 -16.751 -53.468 74 H8A A2G 10 H8A A2G 10 -33.935 -16.306 -52.981 75 H8B A2G 10 H8B A2G 10 -32.547 -15.486 -52.264 76 H14 A2G 10 H14 A2G 10 -29.252 -19.768 -45.651 77 H15 A2G 10 H15 A2G 10 -30.364 -19.405 -43.924 Start of MODEL 16 1 H1 ACE 1 H1 ACE 1 -26.026 -11.106 -49.593 2 H2 ACE 1 H2 ACE 1 -27.681 -11.133 -50.201 3 H3 ACE 1 H3 ACE 1 -26.929 -12.620 -49.623 4 HA PRO 2 HA PRO 2 -27.152 -9.938 -45.529 5 HB2 PRO 2 HB2 PRO 2 -28.894 -7.732 -46.162 6 HB3 PRO 2 HB3 PRO 2 -27.212 -7.676 -45.615 7 HG2 PRO 2 HG2 PRO 2 -28.304 -7.385 -48.307 8 HG3 PRO 2 HG3 PRO 2 -26.724 -6.908 -47.671 9 HD2 PRO 2 HD2 PRO 2 -27.067 -8.992 -49.415 10 HD3 PRO 2 HD3 PRO 2 -25.741 -8.923 -48.232 11 H THR 3 H THR 3 -29.522 -10.721 -47.854 12 HA THR 3 HA THR 3 -31.322 -11.678 -45.769 13 HB THR 3 HB THR 3 -32.333 -9.563 -46.022 14 HG1 THR 3 HG1 THR 3 -33.533 -11.326 -47.891 15 HG21 THR 3 HG21 THR 3 -31.147 -8.628 -47.852 16 HG22 THR 3 HG22 THR 3 -32.826 -8.693 -48.387 17 HG23 THR 3 HG23 THR 3 -31.674 -9.905 -48.947 18 H THR 4 H THR 4 -29.575 -12.508 -48.201 19 HA THR 4 HA THR 4 -31.438 -14.551 -49.131 20 HB THR 4 HB THR 4 -30.294 -13.880 -51.522 21 HG1 THR 4 HG1 THR 4 -30.756 -11.558 -51.589 22 HG21 THR 4 HG21 THR 4 -32.904 -12.898 -50.332 23 HG22 THR 4 HG22 THR 4 -32.647 -14.429 -51.169 24 HG23 THR 4 HG23 THR 4 -32.524 -12.909 -52.055 25 H THR 5 H THR 5 -30.294 -16.202 -50.480 26 HA THR 5 HA THR 5 -27.391 -16.276 -50.167 27 HB THR 5 HB THR 5 -27.936 -18.782 -49.290 28 HG21 THR 5 HG21 THR 5 -27.039 -18.073 -47.250 29 HG22 THR 5 HG22 THR 5 -27.893 -16.531 -47.300 30 HG23 THR 5 HG23 THR 5 -26.499 -16.802 -48.346 31 HA PRO 6 HA PRO 6 -27.164 -18.292 -54.020 32 HB2 PRO 6 HB2 PRO 6 -25.938 -20.733 -53.104 33 HB3 PRO 6 HB3 PRO 6 -25.167 -19.352 -53.901 34 HG2 PRO 6 HG2 PRO 6 -25.238 -20.066 -51.069 35 HG3 PRO 6 HG3 PRO 6 -24.142 -18.979 -51.935 36 HD2 PRO 6 HD2 PRO 6 -26.052 -18.094 -50.181 37 HD3 PRO 6 HD3 PRO 6 -25.467 -17.124 -51.553 38 H LEU 7 H LEU 7 -29.643 -18.500 -53.422 39 HA LEU 7 HA LEU 7 -30.596 -21.149 -52.840 40 HB2 LEU 7 HB2 LEU 7 -31.915 -19.139 -52.287 41 HB3 LEU 7 HB3 LEU 7 -32.058 -18.766 -54.005 42 HG LEU 7 HG LEU 7 -33.129 -21.022 -54.330 43 HD11 LEU 7 HD11 LEU 7 -32.366 -21.220 -51.530 44 HD12 LEU 7 HD12 LEU 7 -32.908 -22.488 -52.630 45 HD13 LEU 7 HD13 LEU 7 -34.090 -21.523 -51.747 46 HD21 LEU 7 HD21 LEU 7 -34.722 -19.530 -52.270 47 HD22 LEU 7 HD22 LEU 7 -35.248 -20.203 -53.813 48 HD23 LEU 7 HD23 LEU 7 -34.300 -18.716 -53.777 49 H LYS 8 H LYS 8 -32.005 -19.513 -55.551 50 HA LYS 8 HA LYS 8 -31.710 -21.864 -57.199 51 HB2 LYS 8 HB2 LYS 8 -32.865 -20.311 -58.908 52 HB3 LYS 8 HB3 LYS 8 -33.777 -20.771 -57.470 53 HG2 LYS 8 HG2 LYS 8 -33.590 -18.670 -56.507 54 HG3 LYS 8 HG3 LYS 8 -32.091 -18.299 -57.360 55 HD2 LYS 8 HD2 LYS 8 -33.984 -16.978 -58.255 56 HD3 LYS 8 HD3 LYS 8 -33.332 -18.075 -59.473 57 HE2 LYS 8 HE2 LYS 8 -35.855 -18.057 -59.333 58 HE3 LYS 8 HE3 LYS 8 -35.126 -19.648 -59.120 59 HZ1 LYS 8 HZ1 LYS 8 -36.917 -18.822 -57.464 60 HZ2 LYS 8 HZ2 LYS 8 -35.630 -17.957 -56.770 61 HZ3 LYS 8 HZ3 LYS 8 -35.558 -19.651 -56.881 62 HN1 NH2 9 HN1 NH2 9 -28.747 -20.199 -57.013 63 HN2 NH2 9 HN2 NH2 9 -28.835 -21.536 -58.056 64 H1 A2G 10 H1 A2G 10 -29.968 -19.392 -49.813 65 H2 A2G 10 H2 A2G 10 -32.002 -20.172 -48.649 66 HN2 A2G 10 HN2 A2G 10 -32.075 -17.253 -49.140 67 H3 A2G 10 H3 A2G 10 -31.504 -17.863 -46.753 68 HO3 A2G 10 HO3 A2G 10 -33.253 -19.971 -46.269 69 H4 A2G 10 H4 A2G 10 -30.928 -19.513 -45.085 70 HO4 A2G 10 HO4 A2G 10 -30.893 -21.711 -45.637 71 H5 A2G 10 H5 A2G 10 -29.086 -18.783 -46.554 72 H6 A2G 10 H6 A2G 10 -28.920 -21.769 -46.040 73 H8 A2G 10 H8 A2G 10 -33.715 -17.478 -51.907 74 H8A A2G 10 H8A A2G 10 -35.005 -17.524 -50.705 75 H8B A2G 10 H8B A2G 10 -33.604 -16.481 -50.457 76 H14 A2G 10 H14 A2G 10 -27.573 -20.633 -46.132 77 H15 A2G 10 H15 A2G 10 -28.957 -19.548 -44.358 Start of MODEL 17 1 H1 ACE 1 H1 ACE 1 -31.941 -6.552 -45.410 2 H2 ACE 1 H2 ACE 1 -33.539 -7.273 -45.215 3 H3 ACE 1 H3 ACE 1 -32.887 -6.996 -46.830 4 HA PRO 2 HA PRO 2 -31.875 -11.351 -45.600 5 HB2 PRO 2 HB2 PRO 2 -32.989 -12.230 -48.108 6 HB3 PRO 2 HB3 PRO 2 -33.593 -12.539 -46.473 7 HG2 PRO 2 HG2 PRO 2 -34.833 -10.961 -48.371 8 HG3 PRO 2 HG3 PRO 2 -35.152 -10.927 -46.631 9 HD2 PRO 2 HD2 PRO 2 -33.563 -9.027 -48.293 10 HD3 PRO 2 HD3 PRO 2 -34.490 -8.727 -46.805 11 H THR 3 H THR 3 -30.145 -12.582 -46.354 12 HA THR 3 HA THR 3 -28.467 -11.288 -48.358 13 HB THR 3 HB THR 3 -27.390 -11.980 -46.299 14 HG1 THR 3 HG1 THR 3 -25.982 -13.696 -47.344 15 HG21 THR 3 HG21 THR 3 -27.459 -14.824 -46.544 16 HG22 THR 3 HG22 THR 3 -29.120 -14.234 -46.580 17 HG23 THR 3 HG23 THR 3 -28.070 -13.828 -45.222 18 H THR 4 H THR 4 -27.483 -12.489 -50.097 19 HA THR 4 HA THR 4 -29.371 -14.357 -51.317 20 HB THR 4 HB THR 4 -27.526 -14.100 -53.211 21 HG1 THR 4 HG1 THR 4 -26.066 -12.730 -52.636 22 HG21 THR 4 HG21 THR 4 -28.780 -12.133 -54.029 23 HG22 THR 4 HG22 THR 4 -29.482 -11.922 -52.425 24 HG23 THR 4 HG23 THR 4 -29.864 -13.360 -53.373 25 H THR 5 H THR 5 -29.024 -16.489 -51.559 26 HA THR 5 HA THR 5 -26.339 -17.596 -51.279 27 HB THR 5 HB THR 5 -27.544 -19.321 -49.624 28 HG21 THR 5 HG21 THR 5 -26.500 -18.107 -47.777 29 HG22 THR 5 HG22 THR 5 -26.463 -16.629 -48.739 30 HG23 THR 5 HG23 THR 5 -25.465 -18.008 -49.202 31 HA PRO 6 HA PRO 6 -27.415 -20.585 -54.263 32 HB2 PRO 6 HB2 PRO 6 -27.069 -22.920 -52.612 33 HB3 PRO 6 HB3 PRO 6 -25.959 -22.263 -53.825 34 HG2 PRO 6 HG2 PRO 6 -25.894 -22.017 -50.917 35 HG3 PRO 6 HG3 PRO 6 -24.605 -21.763 -52.102 36 HD2 PRO 6 HD2 PRO 6 -25.785 -19.717 -50.714 37 HD3 PRO 6 HD3 PRO 6 -25.078 -19.513 -52.333 38 H LEU 7 H LEU 7 -29.687 -19.776 -53.974 39 HA LEU 7 HA LEU 7 -31.475 -21.982 -53.629 40 HB2 LEU 7 HB2 LEU 7 -30.934 -21.017 -51.240 41 HB3 LEU 7 HB3 LEU 7 -32.063 -19.750 -51.721 42 HG LEU 7 HG LEU 7 -33.676 -21.619 -52.370 43 HD11 LEU 7 HD11 LEU 7 -32.678 -23.554 -50.531 44 HD12 LEU 7 HD12 LEU 7 -31.372 -23.169 -51.653 45 HD13 LEU 7 HD13 LEU 7 -32.925 -23.737 -52.268 46 HD21 LEU 7 HD21 LEU 7 -34.229 -22.090 -49.913 47 HD22 LEU 7 HD22 LEU 7 -34.131 -20.391 -50.371 48 HD23 LEU 7 HD23 LEU 7 -32.790 -21.152 -49.515 49 H LYS 8 H LYS 8 -30.604 -19.491 -55.289 50 HA LYS 8 HA LYS 8 -33.050 -17.982 -55.563 51 HB2 LYS 8 HB2 LYS 8 -30.457 -18.059 -57.106 52 HB3 LYS 8 HB3 LYS 8 -31.825 -17.064 -57.610 53 HG2 LYS 8 HG2 LYS 8 -31.227 -16.794 -54.757 54 HG3 LYS 8 HG3 LYS 8 -29.876 -16.313 -55.785 55 HD2 LYS 8 HD2 LYS 8 -31.277 -14.369 -55.441 56 HD3 LYS 8 HD3 LYS 8 -31.481 -14.900 -57.111 57 HE2 LYS 8 HE2 LYS 8 -33.576 -15.954 -56.614 58 HE3 LYS 8 HE3 LYS 8 -33.329 -15.769 -54.878 59 HZ1 LYS 8 HZ1 LYS 8 -34.696 -14.049 -56.447 60 HZ2 LYS 8 HZ2 LYS 8 -33.177 -13.297 -56.339 61 HZ3 LYS 8 HZ3 LYS 8 -34.045 -13.673 -54.927 62 HN1 NH2 9 HN1 NH2 9 -34.756 -18.438 -57.258 63 HN2 NH2 9 HN2 NH2 9 -34.809 -20.124 -57.444 64 H1 A2G 10 H1 A2G 10 -29.721 -19.189 -50.243 65 H2 A2G 10 H2 A2G 10 -31.884 -18.911 -49.101 66 HN2 A2G 10 HN2 A2G 10 -30.770 -16.345 -50.072 67 H3 A2G 10 H3 A2G 10 -30.533 -16.688 -47.549 68 HO3 A2G 10 HO3 A2G 10 -32.889 -16.762 -48.097 69 H4 A2G 10 H4 A2G 10 -30.603 -18.132 -45.617 70 HO4 A2G 10 HO4 A2G 10 -32.540 -19.263 -46.781 71 H5 A2G 10 H5 A2G 10 -28.634 -18.430 -47.073 72 H6 A2G 10 H6 A2G 10 -29.595 -21.151 -46.152 73 H8 A2G 10 H8 A2G 10 -32.442 -16.382 -52.803 74 H8A A2G 10 H8A A2G 10 -33.599 -15.615 -51.715 75 H8B A2G 10 H8B A2G 10 -31.879 -15.249 -51.573 76 H14 A2G 10 H14 A2G 10 -27.934 -20.565 -46.232 77 H15 A2G 10 H15 A2G 10 -29.993 -19.834 -44.456 Start of MODEL 18 1 H1 ACE 1 H1 ACE 1 -29.722 -14.778 -44.022 2 H2 ACE 1 H2 ACE 1 -29.005 -14.617 -45.626 3 H3 ACE 1 H3 ACE 1 -30.742 -14.874 -45.458 4 HA PRO 2 HA PRO 2 -30.157 -10.469 -43.390 5 HB2 PRO 2 HB2 PRO 2 -27.497 -9.637 -44.123 6 HB3 PRO 2 HB3 PRO 2 -28.169 -9.851 -42.499 7 HG2 PRO 2 HG2 PRO 2 -26.443 -11.625 -44.049 8 HG3 PRO 2 HG3 PRO 2 -26.763 -11.596 -42.309 9 HD2 PRO 2 HD2 PRO 2 -27.692 -13.567 -43.969 10 HD3 PRO 2 HD3 PRO 2 -28.526 -13.082 -42.474 11 H THR 3 H THR 3 -27.789 -10.638 -46.062 12 HA THR 3 HA THR 3 -29.284 -8.609 -47.531 13 HB THR 3 HB THR 3 -27.136 -8.070 -47.979 14 HG1 THR 3 HG1 THR 3 -26.255 -9.608 -49.687 15 HG21 THR 3 HG21 THR 3 -26.217 -9.536 -46.301 16 HG22 THR 3 HG22 THR 3 -25.268 -9.755 -47.772 17 HG23 THR 3 HG23 THR 3 -26.483 -10.951 -47.320 18 H THR 4 H THR 4 -27.734 -11.631 -48.615 19 HA THR 4 HA THR 4 -30.234 -12.534 -49.817 20 HB THR 4 HB THR 4 -28.464 -12.887 -51.919 21 HG1 THR 4 HG1 THR 4 -27.487 -10.934 -52.215 22 HG21 THR 4 HG21 THR 4 -30.529 -10.722 -51.439 23 HG22 THR 4 HG22 THR 4 -30.826 -12.320 -52.126 24 HG23 THR 4 HG23 THR 4 -29.863 -11.141 -53.019 25 H THR 5 H THR 5 -29.759 -14.673 -51.057 26 HA THR 5 HA THR 5 -27.541 -16.185 -49.897 27 HB THR 5 HB THR 5 -29.129 -17.999 -49.171 28 HG21 THR 5 HG21 THR 5 -29.880 -15.533 -47.660 29 HG22 THR 5 HG22 THR 5 -28.172 -15.960 -47.751 30 HG23 THR 5 HG23 THR 5 -29.328 -17.094 -47.053 31 HA PRO 6 HA PRO 6 -27.194 -18.285 -53.709 32 HB2 PRO 6 HB2 PRO 6 -27.603 -20.942 -52.676 33 HB3 PRO 6 HB3 PRO 6 -26.075 -20.159 -53.110 34 HG2 PRO 6 HG2 PRO 6 -27.287 -20.550 -50.481 35 HG3 PRO 6 HG3 PRO 6 -25.609 -20.185 -50.910 36 HD2 PRO 6 HD2 PRO 6 -27.275 -18.372 -49.709 37 HD3 PRO 6 HD3 PRO 6 -25.933 -17.901 -50.777 38 H LEU 7 H LEU 7 -28.669 -18.505 -55.292 39 HA LEU 7 HA LEU 7 -31.455 -18.843 -54.715 40 HB2 LEU 7 HB2 LEU 7 -30.136 -19.021 -57.427 41 HB3 LEU 7 HB3 LEU 7 -31.806 -18.582 -57.067 42 HG LEU 7 HG LEU 7 -30.394 -16.770 -55.553 43 HD11 LEU 7 HD11 LEU 7 -28.997 -16.872 -58.227 44 HD12 LEU 7 HD12 LEU 7 -28.332 -17.683 -56.808 45 HD13 LEU 7 HD13 LEU 7 -28.558 -15.933 -56.800 46 HD21 LEU 7 HD21 LEU 7 -32.350 -16.322 -56.999 47 HD22 LEU 7 HD22 LEU 7 -31.323 -16.460 -58.425 48 HD23 LEU 7 HD23 LEU 7 -31.067 -15.145 -57.279 49 H LYS 8 H LYS 8 -32.822 -20.514 -55.673 50 HA LYS 8 HA LYS 8 -31.629 -23.002 -56.517 51 HB2 LYS 8 HB2 LYS 8 -32.095 -22.569 -53.721 52 HB3 LYS 8 HB3 LYS 8 -33.211 -23.803 -54.307 53 HG2 LYS 8 HG2 LYS 8 -31.315 -25.022 -55.329 54 HG3 LYS 8 HG3 LYS 8 -30.205 -23.801 -54.707 55 HD2 LYS 8 HD2 LYS 8 -30.054 -25.342 -52.996 56 HD3 LYS 8 HD3 LYS 8 -31.422 -24.397 -52.407 57 HE2 LYS 8 HE2 LYS 8 -32.849 -26.076 -53.829 58 HE3 LYS 8 HE3 LYS 8 -31.418 -27.102 -53.718 59 HZ1 LYS 8 HZ1 LYS 8 -33.108 -27.402 -51.913 60 HZ2 LYS 8 HZ2 LYS 8 -32.694 -25.852 -51.354 61 HZ3 LYS 8 HZ3 LYS 8 -31.530 -27.089 -51.377 62 HN1 NH2 9 HN1 NH2 9 -33.603 -22.515 -58.413 63 HN2 NH2 9 HN2 NH2 9 -34.241 -24.011 -57.928 64 H1 A2G 10 H1 A2G 10 -30.605 -18.369 -50.866 65 H2 A2G 10 H2 A2G 10 -33.035 -18.811 -50.916 66 HN2 A2G 10 HN2 A2G 10 -32.349 -15.980 -51.444 67 H3 A2G 10 H3 A2G 10 -33.259 -16.418 -49.072 68 HO3 A2G 10 HO3 A2G 10 -35.438 -17.137 -49.029 69 H4 A2G 10 H4 A2G 10 -33.859 -17.973 -47.323 70 HO4 A2G 10 HO4 A2G 10 -34.823 -19.491 -48.826 71 H5 A2G 10 H5 A2G 10 -31.443 -17.587 -47.632 72 H6 A2G 10 H6 A2G 10 -32.129 -20.479 -47.008 73 H8 A2G 10 H8 A2G 10 -32.544 -16.405 -54.687 74 H8A A2G 10 H8A A2G 10 -34.137 -15.835 -54.193 75 H8B A2G 10 H8B A2G 10 -32.691 -15.188 -53.418 76 H14 A2G 10 H14 A2G 10 -30.626 -19.671 -46.562 77 H15 A2G 10 H15 A2G 10 -31.703 -19.153 -44.839 Start of MODEL 19 1 H1 ACE 1 H1 ACE 1 -33.863 -9.370 -49.089 2 H2 ACE 1 H2 ACE 1 -33.303 -7.781 -48.569 3 H3 ACE 1 H3 ACE 1 -33.527 -9.068 -47.384 4 HA PRO 2 HA PRO 2 -29.082 -9.091 -48.710 5 HB2 PRO 2 HB2 PRO 2 -28.338 -9.034 -45.926 6 HB3 PRO 2 HB3 PRO 2 -28.079 -7.787 -47.154 7 HG2 PRO 2 HG2 PRO 2 -29.786 -7.582 -44.993 8 HG3 PRO 2 HG3 PRO 2 -29.842 -6.580 -46.450 9 HD2 PRO 2 HD2 PRO 2 -31.583 -8.874 -45.676 10 HD3 PRO 2 HD3 PRO 2 -31.964 -7.446 -46.667 11 H THR 3 H THR 3 -31.215 -11.101 -47.218 12 HA THR 3 HA THR 3 -29.308 -13.125 -46.340 13 HB THR 3 HB THR 3 -31.294 -14.401 -45.692 14 HG1 THR 3 HG1 THR 3 -32.729 -13.892 -47.276 15 HG21 THR 3 HG21 THR 3 -32.340 -12.006 -44.586 16 HG22 THR 3 HG22 THR 3 -30.597 -11.780 -44.750 17 HG23 THR 3 HG23 THR 3 -31.227 -13.148 -43.830 18 H THR 4 H THR 4 -28.997 -12.509 -49.032 19 HA THR 4 HA THR 4 -30.385 -14.571 -50.567 20 HB THR 4 HB THR 4 -28.711 -13.544 -52.365 21 HG1 THR 4 HG1 THR 4 -28.705 -11.816 -50.169 22 HG21 THR 4 HG21 THR 4 -31.153 -12.118 -51.273 23 HG22 THR 4 HG22 THR 4 -31.163 -13.428 -52.453 24 HG23 THR 4 HG23 THR 4 -30.457 -11.868 -52.874 25 H THR 5 H THR 5 -29.514 -16.470 -51.173 26 HA THR 5 HA THR 5 -26.628 -16.889 -51.028 27 HB THR 5 HB THR 5 -27.301 -19.120 -49.725 28 HG21 THR 5 HG21 THR 5 -25.648 -17.399 -49.012 29 HG22 THR 5 HG22 THR 5 -26.607 -18.002 -47.659 30 HG23 THR 5 HG23 THR 5 -26.972 -16.429 -48.367 31 HA PRO 6 HA PRO 6 -26.974 -19.491 -54.510 32 HB2 PRO 6 HB2 PRO 6 -26.003 -21.906 -53.278 33 HB3 PRO 6 HB3 PRO 6 -25.128 -20.790 -54.337 34 HG2 PRO 6 HG2 PRO 6 -25.058 -21.036 -51.427 35 HG3 PRO 6 HG3 PRO 6 -23.905 -20.262 -52.524 36 HD2 PRO 6 HD2 PRO 6 -25.536 -18.855 -50.831 37 HD3 PRO 6 HD3 PRO 6 -24.944 -18.203 -52.377 38 H LEU 7 H LEU 7 -29.384 -19.316 -54.023 39 HA LEU 7 HA LEU 7 -30.555 -21.920 -54.189 40 HB2 LEU 7 HB2 LEU 7 -30.134 -21.430 -51.649 41 HB3 LEU 7 HB3 LEU 7 -31.538 -20.376 -51.815 42 HG LEU 7 HG LEU 7 -32.539 -22.523 -53.046 43 HD11 LEU 7 HD11 LEU 7 -30.422 -23.803 -52.794 44 HD12 LEU 7 HD12 LEU 7 -31.769 -24.585 -51.969 45 HD13 LEU 7 HD13 LEU 7 -30.575 -23.677 -51.043 46 HD21 LEU 7 HD21 LEU 7 -33.431 -23.226 -50.783 47 HD22 LEU 7 HD22 LEU 7 -33.594 -21.503 -51.127 48 HD23 LEU 7 HD23 LEU 7 -32.313 -22.071 -50.057 49 H LYS 8 H LYS 8 -30.417 -19.069 -55.336 50 HA LYS 8 HA LYS 8 -33.139 -18.120 -55.207 51 HB2 LYS 8 HB2 LYS 8 -30.946 -16.767 -55.639 52 HB3 LYS 8 HB3 LYS 8 -31.173 -17.278 -57.313 53 HG2 LYS 8 HG2 LYS 8 -32.437 -15.359 -57.379 54 HG3 LYS 8 HG3 LYS 8 -33.680 -16.462 -56.787 55 HD2 LYS 8 HD2 LYS 8 -33.109 -15.833 -54.457 56 HD3 LYS 8 HD3 LYS 8 -31.911 -14.694 -55.072 57 HE2 LYS 8 HE2 LYS 8 -34.065 -13.576 -54.531 58 HE3 LYS 8 HE3 LYS 8 -33.659 -13.441 -56.241 59 HZ1 LYS 8 HZ1 LYS 8 -35.963 -14.068 -55.955 60 HZ2 LYS 8 HZ2 LYS 8 -35.512 -15.427 -55.039 61 HZ3 LYS 8 HZ3 LYS 8 -35.105 -15.335 -56.686 62 HN1 NH2 9 HN1 NH2 9 -34.446 -18.058 -57.794 63 HN2 NH2 9 HN2 NH2 9 -34.840 -19.633 -57.299 64 H1 A2G 10 H1 A2G 10 -29.456 -19.447 -50.406 65 H2 A2G 10 H2 A2G 10 -31.595 -19.970 -49.309 66 HN2 A2G 10 HN2 A2G 10 -31.188 -17.074 -49.761 67 H3 A2G 10 H3 A2G 10 -30.859 -17.817 -47.311 68 HO3 A2G 10 HO3 A2G 10 -32.933 -19.742 -47.308 69 H4 A2G 10 H4 A2G 10 -30.507 -19.575 -45.697 70 HO4 A2G 10 HO4 A2G 10 -30.555 -21.732 -47.259 71 H5 A2G 10 H5 A2G 10 -28.558 -19.047 -47.115 72 H6 A2G 10 H6 A2G 10 -29.025 -21.913 -46.298 73 H8 A2G 10 H8 A2G 10 -33.204 -17.167 -52.463 74 H8A A2G 10 H8A A2G 10 -34.047 -16.552 -51.041 75 H8B A2G 10 H8B A2G 10 -32.361 -16.121 -51.322 76 H14 A2G 10 H14 A2G 10 -27.495 -21.423 -47.026 77 H15 A2G 10 H15 A2G 10 -28.574 -20.811 -44.549 Start of MODEL 20 1 H1 ACE 1 H1 ACE 1 -25.468 -12.038 -46.426 2 H2 ACE 1 H2 ACE 1 -26.021 -13.560 -47.125 3 H3 ACE 1 H3 ACE 1 -25.529 -13.494 -45.433 4 HA PRO 2 HA PRO 2 -29.499 -12.650 -43.796 5 HB2 PRO 2 HB2 PRO 2 -29.082 -9.916 -42.991 6 HB3 PRO 2 HB3 PRO 2 -29.072 -11.369 -41.980 7 HG2 PRO 2 HG2 PRO 2 -26.832 -9.839 -43.060 8 HG3 PRO 2 HG3 PRO 2 -26.870 -10.996 -41.723 9 HD2 PRO 2 HD2 PRO 2 -25.674 -11.529 -44.129 10 HD3 PRO 2 HD3 PRO 2 -26.368 -12.792 -43.087 11 H THR 3 H THR 3 -28.161 -10.683 -46.250 12 HA THR 3 HA THR 3 -30.620 -9.200 -46.766 13 HB THR 3 HB THR 3 -29.369 -8.096 -48.513 14 HG1 THR 3 HG1 THR 3 -27.324 -8.821 -49.077 15 HG21 THR 3 HG21 THR 3 -27.131 -8.221 -46.645 16 HG22 THR 3 HG22 THR 3 -28.680 -8.069 -45.817 17 HG23 THR 3 HG23 THR 3 -28.203 -6.871 -47.020 18 H THR 4 H THR 4 -28.622 -11.675 -48.361 19 HA THR 4 HA THR 4 -31.006 -12.740 -49.662 20 HB THR 4 HB THR 4 -29.277 -12.765 -51.788 21 HG1 THR 4 HG1 THR 4 -28.240 -11.054 -50.206 22 HG21 THR 4 HG21 THR 4 -31.382 -10.704 -51.074 23 HG22 THR 4 HG22 THR 4 -31.661 -12.244 -51.887 24 HG23 THR 4 HG23 THR 4 -30.745 -10.973 -52.696 25 H THR 5 H THR 5 -30.280 -14.706 -51.076 26 HA THR 5 HA THR 5 -27.930 -16.066 -49.990 27 HB THR 5 HB THR 5 -29.319 -18.093 -49.446 28 HG21 THR 5 HG21 THR 5 -30.346 -15.827 -47.779 29 HG22 THR 5 HG22 THR 5 -28.606 -16.110 -47.836 30 HG23 THR 5 HG23 THR 5 -29.688 -17.381 -47.268 31 HA PRO 6 HA PRO 6 -27.287 -17.786 -53.940 32 HB2 PRO 6 HB2 PRO 6 -27.455 -20.555 -53.162 33 HB3 PRO 6 HB3 PRO 6 -26.003 -19.590 -53.470 34 HG2 PRO 6 HG2 PRO 6 -27.236 -20.337 -50.931 35 HG3 PRO 6 HG3 PRO 6 -25.593 -19.771 -51.267 36 HD2 PRO 6 HD2 PRO 6 -27.466 -18.249 -49.969 37 HD3 PRO 6 HD3 PRO 6 -26.150 -17.552 -50.941 38 H LEU 7 H LEU 7 -28.502 -18.428 -55.687 39 HA LEU 7 HA LEU 7 -31.324 -18.717 -55.341 40 HB2 LEU 7 HB2 LEU 7 -29.432 -18.522 -57.602 41 HB3 LEU 7 HB3 LEU 7 -30.916 -19.415 -57.932 42 HG LEU 7 HG LEU 7 -32.220 -17.492 -56.998 43 HD11 LEU 7 HD11 LEU 7 -31.119 -15.393 -56.549 44 HD12 LEU 7 HD12 LEU 7 -29.572 -16.023 -57.115 45 HD13 LEU 7 HD13 LEU 7 -30.278 -16.634 -55.619 46 HD21 LEU 7 HD21 LEU 7 -32.281 -17.243 -59.269 47 HD22 LEU 7 HD22 LEU 7 -30.535 -17.428 -59.434 48 HD23 LEU 7 HD23 LEU 7 -31.215 -15.874 -58.952 49 H LYS 8 H LYS 8 -31.885 -20.562 -54.258 50 HA LYS 8 HA LYS 8 -30.739 -23.128 -54.914 51 HB2 LYS 8 HB2 LYS 8 -31.643 -22.375 -52.627 52 HB3 LYS 8 HB3 LYS 8 -33.245 -22.680 -53.300 53 HG2 LYS 8 HG2 LYS 8 -32.845 -24.784 -52.476 54 HG3 LYS 8 HG3 LYS 8 -32.030 -24.973 -54.029 55 HD2 LYS 8 HD2 LYS 8 -30.385 -25.698 -52.533 56 HD3 LYS 8 HD3 LYS 8 -29.954 -24.001 -52.754 57 HE2 LYS 8 HE2 LYS 8 -31.697 -23.737 -50.716 58 HE3 LYS 8 HE3 LYS 8 -31.113 -25.366 -50.379 59 HZ1 LYS 8 HZ1 LYS 8 -29.782 -22.868 -50.052 60 HZ2 LYS 8 HZ2 LYS 8 -28.869 -23.934 -51.011 61 HZ3 LYS 8 HZ3 LYS 8 -29.362 -24.398 -49.452 62 HN1 NH2 9 HN1 NH2 9 -31.898 -24.901 -55.951 63 HN2 NH2 9 HN2 NH2 9 -33.219 -24.595 -56.972 64 H1 A2G 10 H1 A2G 10 -30.703 -18.541 -51.137 65 H2 A2G 10 H2 A2G 10 -33.078 -19.188 -51.340 66 HN2 A2G 10 HN2 A2G 10 -32.712 -16.270 -51.690 67 H3 A2G 10 H3 A2G 10 -33.608 -16.908 -49.417 68 HO3 A2G 10 HO3 A2G 10 -35.364 -17.165 -50.629 69 H4 A2G 10 H4 A2G 10 -34.158 -18.584 -47.766 70 HO4 A2G 10 HO4 A2G 10 -34.760 -20.084 -49.622 71 H5 A2G 10 H5 A2G 10 -31.771 -17.977 -47.926 72 H6 A2G 10 H6 A2G 10 -32.122 -20.961 -47.493 73 H8 A2G 10 H8 A2G 10 -32.503 -16.508 -54.970 74 H8A A2G 10 H8A A2G 10 -34.209 -16.267 -54.593 75 H8B A2G 10 H8B A2G 10 -32.973 -15.427 -53.657 76 H14 A2G 10 H14 A2G 10 -30.849 -19.945 -46.816 77 H15 A2G 10 H15 A2G 10 -32.515 -20.258 -45.316 Start of MODEL 21 1 H1 ACE 1 H1 ACE 1 -30.423 -13.205 -42.946 2 H2 ACE 1 H2 ACE 1 -28.702 -13.589 -42.907 3 H3 ACE 1 H3 ACE 1 -29.587 -13.661 -44.429 4 HA PRO 2 HA PRO 2 -27.495 -9.410 -43.555 5 HB2 PRO 2 HB2 PRO 2 -26.083 -9.687 -46.043 6 HB3 PRO 2 HB3 PRO 2 -25.412 -9.565 -44.413 7 HG2 PRO 2 HG2 PRO 2 -25.621 -11.875 -46.104 8 HG3 PRO 2 HG3 PRO 2 -24.828 -11.717 -44.534 9 HD2 PRO 2 HD2 PRO 2 -27.221 -13.141 -45.086 10 HD3 PRO 2 HD3 PRO 2 -26.542 -12.780 -43.479 11 H THR 3 H THR 3 -28.368 -10.902 -46.674 12 HA THR 3 HA THR 3 -30.356 -8.819 -47.125 13 HB THR 3 HB THR 3 -29.138 -8.886 -49.598 14 HG1 THR 3 HG1 THR 3 -27.309 -9.872 -48.738 15 HG21 THR 3 HG21 THR 3 -30.021 -6.875 -48.657 16 HG22 THR 3 HG22 THR 3 -28.297 -6.587 -48.892 17 HG23 THR 3 HG23 THR 3 -28.919 -6.955 -47.283 18 H THR 4 H THR 4 -28.622 -11.511 -48.705 19 HA THR 4 HA THR 4 -31.160 -12.886 -49.121 20 HB THR 4 HB THR 4 -29.698 -12.996 -51.599 21 HG1 THR 4 HG1 THR 4 -29.082 -10.994 -51.651 22 HG21 THR 4 HG21 THR 4 -32.418 -11.882 -50.859 23 HG22 THR 4 HG22 THR 4 -32.076 -13.561 -51.278 24 HG23 THR 4 HG23 THR 4 -31.886 -12.293 -52.490 25 H THR 5 H THR 5 -30.420 -14.905 -50.732 26 HA THR 5 HA THR 5 -27.881 -16.005 -49.793 27 HB THR 5 HB THR 5 -29.068 -18.137 -49.093 28 HG21 THR 5 HG21 THR 5 -30.058 -15.962 -47.312 29 HG22 THR 5 HG22 THR 5 -28.324 -16.010 -47.628 30 HG23 THR 5 HG23 THR 5 -29.128 -17.406 -46.912 31 HA PRO 6 HA PRO 6 -27.417 -17.831 -53.731 32 HB2 PRO 6 HB2 PRO 6 -27.187 -20.555 -52.829 33 HB3 PRO 6 HB3 PRO 6 -25.893 -19.452 -53.320 34 HG2 PRO 6 HG2 PRO 6 -26.773 -20.209 -50.645 35 HG3 PRO 6 HG3 PRO 6 -25.256 -19.462 -51.168 36 HD2 PRO 6 HD2 PRO 6 -27.188 -18.129 -49.745 37 HD3 PRO 6 HD3 PRO 6 -26.047 -17.320 -50.843 38 H LEU 7 H LEU 7 -29.130 -17.983 -55.062 39 HA LEU 7 HA LEU 7 -31.601 -19.208 -54.286 40 HB2 LEU 7 HB2 LEU 7 -32.242 -18.763 -56.677 41 HB3 LEU 7 HB3 LEU 7 -31.669 -17.339 -55.804 42 HG LEU 7 HG LEU 7 -29.496 -18.824 -57.087 43 HD11 LEU 7 HD11 LEU 7 -31.109 -19.359 -58.798 44 HD12 LEU 7 HD12 LEU 7 -30.174 -17.992 -59.399 45 HD13 LEU 7 HD13 LEU 7 -31.793 -17.734 -58.754 46 HD21 LEU 7 HD21 LEU 7 -30.491 -15.964 -57.389 47 HD22 LEU 7 HD22 LEU 7 -28.883 -16.560 -57.788 48 HD23 LEU 7 HD23 LEU 7 -29.409 -16.502 -56.107 49 H LYS 8 H LYS 8 -32.641 -20.979 -55.404 50 HA LYS 8 HA LYS 8 -30.852 -23.217 -55.757 51 HB2 LYS 8 HB2 LYS 8 -33.845 -23.101 -56.192 52 HB3 LYS 8 HB3 LYS 8 -32.863 -24.545 -55.945 53 HG2 LYS 8 HG2 LYS 8 -32.246 -22.878 -53.776 54 HG3 LYS 8 HG3 LYS 8 -33.993 -22.740 -53.970 55 HD2 LYS 8 HD2 LYS 8 -33.592 -24.615 -52.512 56 HD3 LYS 8 HD3 LYS 8 -34.082 -25.269 -54.075 57 HE2 LYS 8 HE2 LYS 8 -31.295 -24.964 -54.252 58 HE3 LYS 8 HE3 LYS 8 -31.583 -25.632 -52.646 59 HZ1 LYS 8 HZ1 LYS 8 -33.029 -26.776 -54.925 60 HZ2 LYS 8 HZ2 LYS 8 -32.510 -27.521 -53.489 61 HZ3 LYS 8 HZ3 LYS 8 -31.395 -27.180 -54.725 62 HN1 NH2 9 HN1 NH2 9 -31.538 -21.497 -59.211 63 HN2 NH2 9 HN2 NH2 9 -30.498 -21.164 -57.912 64 H1 A2G 10 H1 A2G 10 -30.668 -18.614 -50.683 65 H2 A2G 10 H2 A2G 10 -32.969 -19.472 -50.484 66 HN2 A2G 10 HN2 A2G 10 -32.959 -16.523 -50.746 67 H3 A2G 10 H3 A2G 10 -33.344 -17.318 -48.389 68 HO3 A2G 10 HO3 A2G 10 -35.080 -18.220 -49.871 69 H4 A2G 10 H4 A2G 10 -33.428 -19.093 -46.751 70 HO4 A2G 10 HO4 A2G 10 -32.755 -20.923 -48.790 71 H5 A2G 10 H5 A2G 10 -31.183 -18.229 -47.310 72 H6 A2G 10 H6 A2G 10 -31.017 -21.236 -47.006 73 H8 A2G 10 H8 A2G 10 -32.910 -16.650 -53.943 74 H8A A2G 10 H8A A2G 10 -34.648 -16.615 -53.645 75 H8B A2G 10 H8B A2G 10 -33.562 -15.656 -52.640 76 H14 A2G 10 H14 A2G 10 -29.921 -20.020 -46.351 77 H15 A2G 10 H15 A2G 10 -32.653 -20.324 -45.653 Start of MODEL 22 1 H1 ACE 1 H1 ACE 1 -27.463 -8.180 -49.952 2 H2 ACE 1 H2 ACE 1 -29.169 -7.947 -49.564 3 H3 ACE 1 H3 ACE 1 -28.696 -9.106 -50.807 4 HA PRO 2 HA PRO 2 -26.765 -11.096 -46.765 5 HB2 PRO 2 HB2 PRO 2 -27.964 -9.664 -44.572 6 HB3 PRO 2 HB3 PRO 2 -26.246 -9.819 -44.968 7 HG2 PRO 2 HG2 PRO 2 -28.082 -7.606 -45.480 8 HG3 PRO 2 HG3 PRO 2 -26.313 -7.626 -45.458 9 HD2 PRO 2 HD2 PRO 2 -27.778 -7.354 -47.756 10 HD3 PRO 2 HD3 PRO 2 -26.158 -8.086 -47.717 11 H THR 3 H THR 3 -29.935 -9.884 -47.333 12 HA THR 3 HA THR 3 -31.254 -11.888 -45.674 13 HB THR 3 HB THR 3 -32.970 -10.464 -47.539 14 HG1 THR 3 HG1 THR 3 -31.110 -9.054 -45.960 15 HG21 THR 3 HG21 THR 3 -33.675 -11.586 -45.439 16 HG22 THR 3 HG22 THR 3 -34.119 -9.879 -45.458 17 HG23 THR 3 HG23 THR 3 -32.726 -10.417 -44.518 18 H THR 4 H THR 4 -29.529 -12.502 -48.110 19 HA THR 4 HA THR 4 -31.355 -14.473 -49.248 20 HB THR 4 HB THR 4 -29.807 -13.129 -51.344 21 HG1 THR 4 HG1 THR 4 -30.494 -11.382 -49.936 22 HG21 THR 4 HG21 THR 4 -32.763 -13.730 -51.068 23 HG22 THR 4 HG22 THR 4 -31.568 -14.890 -51.642 24 HG23 THR 4 HG23 THR 4 -31.879 -13.420 -52.563 25 H THR 5 H THR 5 -30.216 -16.104 -50.526 26 HA THR 5 HA THR 5 -27.303 -16.155 -50.294 27 HB THR 5 HB THR 5 -27.773 -18.656 -49.392 28 HG21 THR 5 HG21 THR 5 -26.343 -16.719 -48.455 29 HG22 THR 5 HG22 THR 5 -26.963 -17.900 -47.300 30 HG23 THR 5 HG23 THR 5 -27.752 -16.332 -47.468 31 HA PRO 6 HA PRO 6 -27.169 -18.183 -54.146 32 HB2 PRO 6 HB2 PRO 6 -25.902 -20.613 -53.256 33 HB3 PRO 6 HB3 PRO 6 -25.162 -19.231 -54.078 34 HG2 PRO 6 HG2 PRO 6 -25.150 -19.936 -51.245 35 HG3 PRO 6 HG3 PRO 6 -24.086 -18.843 -52.143 36 HD2 PRO 6 HD2 PRO 6 -25.954 -17.967 -50.340 37 HD3 PRO 6 HD3 PRO 6 -25.412 -16.997 -51.729 38 H LEU 7 H LEU 7 -29.626 -18.406 -53.522 39 HA LEU 7 HA LEU 7 -30.559 -21.044 -52.873 40 HB2 LEU 7 HB2 LEU 7 -31.880 -19.025 -52.352 41 HB3 LEU 7 HB3 LEU 7 -32.047 -18.696 -54.078 42 HG LEU 7 HG LEU 7 -33.102 -20.976 -54.325 43 HD11 LEU 7 HD11 LEU 7 -32.861 -22.379 -52.576 44 HD12 LEU 7 HD12 LEU 7 -34.049 -21.393 -51.723 45 HD13 LEU 7 HD13 LEU 7 -32.327 -21.069 -51.523 46 HD21 LEU 7 HD21 LEU 7 -35.217 -20.138 -53.845 47 HD22 LEU 7 HD22 LEU 7 -34.275 -18.647 -53.825 48 HD23 LEU 7 HD23 LEU 7 -34.705 -19.439 -52.309 49 H LYS 8 H LYS 8 -32.014 -19.480 -55.601 50 HA LYS 8 HA LYS 8 -31.718 -21.865 -57.202 51 HB2 LYS 8 HB2 LYS 8 -32.873 -19.176 -57.978 52 HB3 LYS 8 HB3 LYS 8 -33.110 -20.709 -58.818 53 HG2 LYS 8 HG2 LYS 8 -33.976 -21.527 -56.466 54 HG3 LYS 8 HG3 LYS 8 -34.225 -19.803 -56.182 55 HD2 LYS 8 HD2 LYS 8 -35.374 -21.439 -58.461 56 HD3 LYS 8 HD3 LYS 8 -36.269 -20.750 -57.106 57 HE2 LYS 8 HE2 LYS 8 -34.896 -19.287 -59.365 58 HE3 LYS 8 HE3 LYS 8 -36.598 -19.225 -58.904 59 HZ1 LYS 8 HZ1 LYS 8 -34.277 -18.114 -57.435 60 HZ2 LYS 8 HZ2 LYS 8 -35.815 -18.283 -56.733 61 HZ3 LYS 8 HZ3 LYS 8 -35.600 -17.272 -58.081 62 HN1 NH2 9 HN1 NH2 9 -29.032 -19.291 -57.257 63 HN2 NH2 9 HN2 NH2 9 -30.163 -18.415 -58.172 64 H1 A2G 10 H1 A2G 10 -29.819 -19.249 -49.975 65 H2 A2G 10 H2 A2G 10 -31.851 -20.095 -48.856 66 HN2 A2G 10 HN2 A2G 10 -31.876 -17.161 -49.251 67 H3 A2G 10 H3 A2G 10 -31.360 -17.891 -46.843 68 HO3 A2G 10 HO3 A2G 10 -33.546 -18.651 -47.396 69 H4 A2G 10 H4 A2G 10 -30.781 -19.621 -45.261 70 HO4 A2G 10 HO4 A2G 10 -31.583 -21.284 -47.379 71 H5 A2G 10 H5 A2G 10 -28.939 -18.812 -46.688 72 H6 A2G 10 H6 A2G 10 -28.844 -21.813 -46.233 73 H8 A2G 10 H8 A2G 10 -33.691 -17.390 -51.974 74 H8A A2G 10 H8A A2G 10 -34.842 -17.186 -50.654 75 H8B A2G 10 H8B A2G 10 -33.307 -16.318 -50.627 76 H14 A2G 10 H14 A2G 10 -27.444 -20.764 -46.454 77 H15 A2G 10 H15 A2G 10 -28.086 -19.637 -44.581 Start of MODEL 23 1 H1 ACE 1 H1 ACE 1 -26.449 -10.349 -50.746 2 H2 ACE 1 H2 ACE 1 -28.182 -10.078 -50.570 3 H3 ACE 1 H3 ACE 1 -27.572 -11.702 -50.882 4 HA PRO 2 HA PRO 2 -25.708 -10.744 -46.452 5 HB2 PRO 2 HB2 PRO 2 -27.105 -8.399 -45.534 6 HB3 PRO 2 HB3 PRO 2 -25.363 -8.615 -45.765 7 HG2 PRO 2 HG2 PRO 2 -27.318 -7.295 -47.486 8 HG3 PRO 2 HG3 PRO 2 -25.555 -7.151 -47.460 9 HD2 PRO 2 HD2 PRO 2 -26.924 -8.415 -49.468 10 HD3 PRO 2 HD3 PRO 2 -25.261 -8.844 -49.005 11 H THR 3 H THR 3 -28.979 -9.352 -46.855 12 HA THR 3 HA THR 3 -29.995 -11.021 -44.690 13 HB THR 3 HB THR 3 -30.645 -8.577 -45.067 14 HG1 THR 3 HG1 THR 3 -32.976 -10.068 -45.123 15 HG21 THR 3 HG21 THR 3 -32.020 -7.983 -46.829 16 HG22 THR 3 HG22 THR 3 -32.659 -9.616 -47.017 17 HG23 THR 3 HG23 THR 3 -31.045 -9.227 -47.612 18 H THR 4 H THR 4 -29.082 -12.131 -47.333 19 HA THR 4 HA THR 4 -31.404 -13.845 -47.762 20 HB THR 4 HB THR 4 -30.296 -13.090 -50.335 21 HG1 THR 4 HG1 THR 4 -30.834 -10.995 -50.344 22 HG21 THR 4 HG21 THR 4 -32.638 -12.915 -50.905 23 HG22 THR 4 HG22 THR 4 -33.090 -12.795 -49.205 24 HG23 THR 4 HG23 THR 4 -32.443 -14.307 -49.840 25 H THR 5 H THR 5 -30.648 -15.363 -49.800 26 HA THR 5 HA THR 5 -27.830 -16.089 -49.510 27 HB THR 5 HB THR 5 -28.522 -18.502 -49.096 28 HG21 THR 5 HG21 THR 5 -27.837 -16.562 -47.361 29 HG22 THR 5 HG22 THR 5 -28.245 -18.195 -46.836 30 HG23 THR 5 HG23 THR 5 -29.456 -16.915 -46.758 31 HA PRO 6 HA PRO 6 -27.824 -17.102 -53.755 32 HB2 PRO 6 HB2 PRO 6 -27.033 -19.854 -53.451 33 HB3 PRO 6 HB3 PRO 6 -26.028 -18.471 -53.908 34 HG2 PRO 6 HG2 PRO 6 -26.294 -19.804 -51.323 35 HG3 PRO 6 HG3 PRO 6 -25.014 -18.738 -51.918 36 HD2 PRO 6 HD2 PRO 6 -26.809 -17.988 -49.989 37 HD3 PRO 6 HD3 PRO 6 -26.035 -16.834 -51.099 38 H LEU 7 H LEU 7 -29.860 -17.183 -54.578 39 HA LEU 7 HA LEU 7 -31.819 -19.106 -53.761 40 HB2 LEU 7 HB2 LEU 7 -32.249 -17.799 -56.356 41 HB3 LEU 7 HB3 LEU 7 -33.260 -17.799 -54.911 42 HG LEU 7 HG LEU 7 -31.419 -16.244 -53.913 43 HD11 LEU 7 HD11 LEU 7 -30.990 -15.261 -56.671 44 HD12 LEU 7 HD12 LEU 7 -30.170 -16.773 -56.281 45 HD13 LEU 7 HD13 LEU 7 -29.867 -15.331 -55.313 46 HD21 LEU 7 HD21 LEU 7 -33.385 -15.092 -54.154 47 HD22 LEU 7 HD22 LEU 7 -33.637 -15.668 -55.802 48 HD23 LEU 7 HD23 LEU 7 -32.525 -14.333 -55.494 49 H LYS 8 H LYS 8 -33.008 -20.357 -55.589 50 HA LYS 8 HA LYS 8 -31.101 -22.228 -56.681 51 HB2 LYS 8 HB2 LYS 8 -34.112 -22.052 -56.703 52 HB3 LYS 8 HB3 LYS 8 -33.240 -23.296 -57.598 53 HG2 LYS 8 HG2 LYS 8 -32.485 -22.874 -54.742 54 HG3 LYS 8 HG3 LYS 8 -34.019 -23.681 -55.069 55 HD2 LYS 8 HD2 LYS 8 -32.997 -25.482 -56.150 56 HD3 LYS 8 HD3 LYS 8 -31.542 -24.559 -56.524 57 HE2 LYS 8 HE2 LYS 8 -30.739 -24.704 -54.304 58 HE3 LYS 8 HE3 LYS 8 -32.319 -25.170 -53.673 59 HZ1 LYS 8 HZ1 LYS 8 -30.788 -27.052 -53.836 60 HZ2 LYS 8 HZ2 LYS 8 -30.665 -26.812 -55.513 61 HZ3 LYS 8 HZ3 LYS 8 -32.150 -27.264 -54.822 62 HN1 NH2 9 HN1 NH2 9 -32.418 -21.938 -60.106 63 HN2 NH2 9 HN2 NH2 9 -31.191 -22.759 -59.270 64 H1 A2G 10 H1 A2G 10 -30.320 -18.977 -50.469 65 H2 A2G 10 H2 A2G 10 -32.390 -20.254 -50.083 66 HN2 A2G 10 HN2 A2G 10 -32.832 -17.347 -49.731 67 H3 A2G 10 H3 A2G 10 -32.675 -18.612 -47.554 68 HO3 A2G 10 HO3 A2G 10 -34.575 -19.346 -48.665 69 H4 A2G 10 H4 A2G 10 -32.153 -20.616 -46.316 70 HO4 A2G 10 HO4 A2G 10 -32.395 -21.752 -48.846 71 H5 A2G 10 H5 A2G 10 -30.198 -19.305 -47.050 72 H6 A2G 10 H6 A2G 10 -29.693 -22.283 -47.342 73 H8 A2G 10 H8 A2G 10 -33.915 -16.947 -52.828 74 H8A A2G 10 H8A A2G 10 -35.319 -17.326 -51.830 75 H8B A2G 10 H8B A2G 10 -34.031 -16.304 -51.189 76 H14 A2G 10 H14 A2G 10 -28.517 -21.063 -46.856 77 H15 A2G 10 H15 A2G 10 -29.220 -21.802 -44.966 Start of MODEL 24 1 H1 ACE 1 H1 ACE 1 -25.697 -9.062 -44.503 2 H2 ACE 1 H2 ACE 1 -25.596 -7.891 -45.818 3 H3 ACE 1 H3 ACE 1 -25.280 -9.597 -46.131 4 HA PRO 2 HA PRO 2 -29.807 -8.089 -46.991 5 HB2 PRO 2 HB2 PRO 2 -29.516 -9.472 -49.502 6 HB3 PRO 2 HB3 PRO 2 -29.764 -7.742 -49.228 7 HG2 PRO 2 HG2 PRO 2 -27.306 -9.195 -49.834 8 HG3 PRO 2 HG3 PRO 2 -27.666 -7.470 -49.988 9 HD2 PRO 2 HD2 PRO 2 -25.978 -8.481 -48.082 10 HD3 PRO 2 HD3 PRO 2 -26.915 -6.986 -47.858 11 H THR 3 H THR 3 -31.586 -9.660 -47.719 12 HA THR 3 HA THR 3 -31.192 -12.176 -46.297 13 HB THR 3 HB THR 3 -33.728 -11.206 -47.618 14 HG1 THR 3 HG1 THR 3 -32.766 -10.694 -45.000 15 HG21 THR 3 HG21 THR 3 -33.223 -12.984 -45.216 16 HG22 THR 3 HG22 THR 3 -33.593 -13.571 -46.837 17 HG23 THR 3 HG23 THR 3 -34.788 -12.628 -45.947 18 H THR 4 H THR 4 -29.635 -12.774 -48.125 19 HA THR 4 HA THR 4 -31.090 -14.497 -49.976 20 HB THR 4 HB THR 4 -29.163 -13.466 -51.657 21 HG1 THR 4 HG1 THR 4 -29.510 -11.710 -49.749 22 HG21 THR 4 HG21 THR 4 -32.097 -12.828 -51.309 23 HG22 THR 4 HG22 THR 4 -31.369 -14.001 -52.406 24 HG23 THR 4 HG23 THR 4 -31.160 -12.275 -52.696 25 H THR 5 H THR 5 -29.807 -16.195 -50.824 26 HA THR 5 HA THR 5 -27.034 -16.412 -49.929 27 HB THR 5 HB THR 5 -27.799 -18.853 -49.139 28 HG21 THR 5 HG21 THR 5 -26.582 -17.071 -47.832 29 HG22 THR 5 HG22 THR 5 -27.701 -18.033 -46.867 30 HG23 THR 5 HG23 THR 5 -28.153 -16.410 -47.383 31 HA PRO 6 HA PRO 6 -26.145 -18.506 -53.649 32 HB2 PRO 6 HB2 PRO 6 -25.255 -20.984 -52.479 33 HB3 PRO 6 HB3 PRO 6 -24.271 -19.660 -53.121 34 HG2 PRO 6 HG2 PRO 6 -24.941 -20.309 -50.353 35 HG3 PRO 6 HG3 PRO 6 -23.639 -19.295 -50.994 36 HD2 PRO 6 HD2 PRO 6 -25.812 -18.282 -49.669 37 HD3 PRO 6 HD3 PRO 6 -24.915 -17.371 -50.905 38 H LEU 7 H LEU 7 -28.615 -18.598 -53.797 39 HA LEU 7 HA LEU 7 -29.386 -21.231 -54.604 40 HB2 LEU 7 HB2 LEU 7 -29.676 -21.150 -52.016 41 HB3 LEU 7 HB3 LEU 7 -31.081 -20.145 -52.374 42 HG LEU 7 HG LEU 7 -31.599 -22.083 -54.113 43 HD11 LEU 7 HD11 LEU 7 -30.697 -24.165 -53.640 44 HD12 LEU 7 HD12 LEU 7 -30.372 -23.756 -51.955 45 HD13 LEU 7 HD13 LEU 7 -29.324 -23.135 -53.231 46 HD21 LEU 7 HD21 LEU 7 -33.173 -21.563 -52.406 47 HD22 LEU 7 HD22 LEU 7 -32.073 -22.077 -51.128 48 HD23 LEU 7 HD23 LEU 7 -32.819 -23.276 -52.184 49 H LYS 8 H LYS 8 -32.258 -20.369 -53.845 50 HA LYS 8 HA LYS 8 -32.725 -18.014 -55.445 51 HB2 LYS 8 HB2 LYS 8 -32.427 -20.314 -56.901 52 HB3 LYS 8 HB3 LYS 8 -34.168 -20.295 -56.617 53 HG2 LYS 8 HG2 LYS 8 -34.140 -17.861 -57.372 54 HG3 LYS 8 HG3 LYS 8 -32.485 -18.141 -57.913 55 HD2 LYS 8 HD2 LYS 8 -34.934 -19.678 -58.829 56 HD3 LYS 8 HD3 LYS 8 -34.053 -18.477 -59.774 57 HE2 LYS 8 HE2 LYS 8 -31.982 -20.027 -59.238 58 HE3 LYS 8 HE3 LYS 8 -33.226 -21.252 -58.998 59 HZ1 LYS 8 HZ1 LYS 8 -32.339 -19.974 -61.433 60 HZ2 LYS 8 HZ2 LYS 8 -34.027 -20.101 -61.279 61 HZ3 LYS 8 HZ3 LYS 8 -33.056 -21.493 -61.203 62 HN1 NH2 9 HN1 NH2 9 -36.198 -18.311 -54.491 63 HN2 NH2 9 HN2 NH2 9 -35.063 -17.383 -55.347 64 H1 A2G 10 H1 A2G 10 -29.660 -19.240 -50.394 65 H2 A2G 10 H2 A2G 10 -31.936 -20.074 -49.920 66 HN2 A2G 10 HN2 A2G 10 -31.789 -17.117 -49.975 67 H3 A2G 10 H3 A2G 10 -31.911 -18.105 -47.618 68 HO3 A2G 10 HO3 A2G 10 -33.926 -18.828 -47.288 69 H4 A2G 10 H4 A2G 10 -31.805 -20.015 -46.141 70 HO4 A2G 10 HO4 A2G 10 -32.705 -21.711 -47.003 71 H5 A2G 10 H5 A2G 10 -29.638 -19.174 -46.964 72 H6 A2G 10 H6 A2G 10 -29.732 -22.207 -46.843 73 H8 A2G 10 H8 A2G 10 -32.818 -16.959 -53.088 74 H8A A2G 10 H8A A2G 10 -34.275 -16.860 -52.098 75 H8B A2G 10 H8B A2G 10 -32.792 -16.065 -51.567 76 H14 A2G 10 H14 A2G 10 -28.309 -21.207 -46.558 77 H15 A2G 10 H15 A2G 10 -29.977 -20.178 -44.969 Start of MODEL 25 1 H1 ACE 1 H1 ACE 1 -33.883 -6.950 -45.379 2 H2 ACE 1 H2 ACE 1 -33.841 -6.944 -47.142 3 H3 ACE 1 H3 ACE 1 -32.798 -5.851 -46.231 4 HA PRO 2 HA PRO 2 -31.039 -10.251 -44.970 5 HB2 PRO 2 HB2 PRO 2 -32.207 -12.096 -46.848 6 HB3 PRO 2 HB3 PRO 2 -32.336 -12.103 -45.083 7 HG2 PRO 2 HG2 PRO 2 -34.243 -11.161 -47.083 8 HG3 PRO 2 HG3 PRO 2 -34.502 -11.586 -45.385 9 HD2 PRO 2 HD2 PRO 2 -34.597 -9.011 -46.315 10 HD3 PRO 2 HD3 PRO 2 -34.129 -9.427 -44.651 11 H THR 3 H THR 3 -29.472 -11.656 -46.200 12 HA THR 3 HA THR 3 -28.444 -10.163 -48.485 13 HB THR 3 HB THR 3 -26.410 -11.348 -48.150 14 HG1 THR 3 HG1 THR 3 -28.133 -13.216 -47.097 15 HG21 THR 3 HG21 THR 3 -27.280 -11.300 -45.307 16 HG22 THR 3 HG22 THR 3 -27.461 -9.801 -46.218 17 HG23 THR 3 HG23 THR 3 -25.874 -10.554 -46.067 18 H THR 4 H THR 4 -27.117 -12.942 -49.105 19 HA THR 4 HA THR 4 -29.322 -14.284 -50.465 20 HB THR 4 HB THR 4 -27.962 -14.217 -52.637 21 HG1 THR 4 HG1 THR 4 -26.966 -11.788 -51.726 22 HG21 THR 4 HG21 THR 4 -30.091 -12.969 -52.211 23 HG22 THR 4 HG22 THR 4 -29.005 -12.134 -53.322 24 HG23 THR 4 HG23 THR 4 -29.130 -11.605 -51.644 25 H THR 5 H THR 5 -28.708 -16.363 -51.335 26 HA THR 5 HA THR 5 -26.064 -17.381 -50.623 27 HB THR 5 HB THR 5 -27.510 -19.405 -49.582 28 HG21 THR 5 HG21 THR 5 -25.609 -17.945 -48.607 29 HG22 THR 5 HG22 THR 5 -26.738 -18.679 -47.469 30 HG23 THR 5 HG23 THR 5 -26.903 -16.977 -47.900 31 HA PRO 6 HA PRO 6 -26.209 -19.882 -54.188 32 HB2 PRO 6 HB2 PRO 6 -26.049 -22.439 -52.872 33 HB3 PRO 6 HB3 PRO 6 -24.756 -21.543 -53.682 34 HG2 PRO 6 HG2 PRO 6 -25.356 -21.777 -50.834 35 HG3 PRO 6 HG3 PRO 6 -23.861 -21.275 -51.638 36 HD2 PRO 6 HD2 PRO 6 -25.479 -19.540 -50.269 37 HD3 PRO 6 HD3 PRO 6 -24.451 -19.041 -51.632 38 H LEU 7 H LEU 7 -28.516 -19.277 -54.416 39 HA LEU 7 HA LEU 7 -30.158 -21.600 -54.737 40 HB2 LEU 7 HB2 LEU 7 -30.291 -20.824 -52.209 41 HB3 LEU 7 HB3 LEU 7 -31.398 -19.621 -52.873 42 HG LEU 7 HG LEU 7 -32.414 -21.740 -54.113 43 HD11 LEU 7 HD11 LEU 7 -31.601 -23.056 -51.543 44 HD12 LEU 7 HD12 LEU 7 -30.484 -23.085 -52.906 45 HD13 LEU 7 HD13 LEU 7 -32.092 -23.793 -53.067 46 HD21 LEU 7 HD21 LEU 7 -33.889 -22.060 -52.038 47 HD22 LEU 7 HD22 LEU 7 -33.771 -20.416 -52.664 48 HD23 LEU 7 HD23 LEU 7 -32.841 -20.885 -51.242 49 H LYS 8 H LYS 8 -32.631 -19.983 -54.468 50 HA LYS 8 HA LYS 8 -32.584 -18.821 -57.109 51 HB2 LYS 8 HB2 LYS 8 -34.750 -18.999 -55.004 52 HB3 LYS 8 HB3 LYS 8 -34.990 -18.325 -56.616 53 HG2 LYS 8 HG2 LYS 8 -34.153 -20.513 -57.561 54 HG3 LYS 8 HG3 LYS 8 -34.188 -21.161 -55.921 55 HD2 LYS 8 HD2 LYS 8 -36.559 -20.008 -57.421 56 HD3 LYS 8 HD3 LYS 8 -36.269 -21.720 -57.107 57 HE2 LYS 8 HE2 LYS 8 -36.107 -20.885 -54.592 58 HE3 LYS 8 HE3 LYS 8 -37.090 -19.557 -55.208 59 HZ1 LYS 8 HZ1 LYS 8 -38.526 -21.282 -54.438 60 HZ2 LYS 8 HZ2 LYS 8 -37.712 -22.455 -55.360 61 HZ3 LYS 8 HZ3 LYS 8 -38.618 -21.243 -56.131 62 HN1 NH2 9 HN1 NH2 9 -33.953 -15.667 -56.132 63 HN2 NH2 9 HN2 NH2 9 -34.428 -16.642 -54.824 64 H1 A2G 10 H1 A2G 10 -29.544 -19.345 -50.439 65 H2 A2G 10 H2 A2G 10 -31.863 -19.280 -49.592 66 HN2 A2G 10 HN2 A2G 10 -30.876 -16.556 -50.200 67 H3 A2G 10 H3 A2G 10 -30.867 -17.096 -47.745 68 HO3 A2G 10 HO3 A2G 10 -33.329 -18.244 -48.394 69 H4 A2G 10 H4 A2G 10 -31.134 -18.669 -45.932 70 HO4 A2G 10 HO4 A2G 10 -31.890 -20.717 -46.283 71 H5 A2G 10 H5 A2G 10 -28.968 -18.748 -47.110 72 H6 A2G 10 H6 A2G 10 -29.927 -21.546 -46.434 73 H8 A2G 10 H8 A2G 10 -32.084 -16.615 -53.281 74 H8A A2G 10 H8A A2G 10 -33.333 -15.939 -52.236 75 H8B A2G 10 H8B A2G 10 -31.637 -15.549 -51.949 76 H14 A2G 10 H14 A2G 10 -28.267 -20.955 -46.371 77 H15 A2G 10 H15 A2G 10 -30.355 -20.590 -44.607 Start of MODEL 26 1 H1 ACE 1 H1 ACE 1 -32.265 -7.760 -50.914 2 H2 ACE 1 H2 ACE 1 -33.342 -7.234 -49.621 3 H3 ACE 1 H3 ACE 1 -32.996 -8.950 -49.836 4 HA PRO 2 HA PRO 2 -30.034 -7.268 -46.688 5 HB2 PRO 2 HB2 PRO 2 -30.792 -9.432 -44.942 6 HB3 PRO 2 HB3 PRO 2 -31.077 -7.699 -44.727 7 HG2 PRO 2 HG2 PRO 2 -33.023 -9.600 -45.202 8 HG3 PRO 2 HG3 PRO 2 -33.206 -7.856 -45.435 9 HD2 PRO 2 HD2 PRO 2 -32.769 -9.988 -47.471 10 HD3 PRO 2 HD3 PRO 2 -33.631 -8.441 -47.621 11 H THR 3 H THR 3 -30.767 -10.695 -47.345 12 HA THR 3 HA THR 3 -27.968 -11.178 -48.004 13 HB THR 3 HB THR 3 -28.029 -11.583 -45.582 14 HG1 THR 3 HG1 THR 3 -27.132 -13.147 -47.365 15 HG21 THR 3 HG21 THR 3 -29.778 -12.571 -44.565 16 HG22 THR 3 HG22 THR 3 -29.709 -13.953 -45.660 17 HG23 THR 3 HG23 THR 3 -30.613 -12.509 -46.118 18 H THR 4 H THR 4 -27.642 -13.244 -49.054 19 HA THR 4 HA THR 4 -30.019 -14.751 -49.823 20 HB THR 4 HB THR 4 -29.527 -14.497 -52.244 21 HG1 THR 4 HG1 THR 4 -28.061 -12.209 -51.793 22 HG21 THR 4 HG21 THR 4 -29.933 -11.790 -50.965 23 HG22 THR 4 HG22 THR 4 -31.177 -13.040 -50.943 24 HG23 THR 4 HG23 THR 4 -30.609 -12.387 -52.481 25 H THR 5 H THR 5 -29.509 -16.760 -50.876 26 HA THR 5 HA THR 5 -26.691 -17.544 -50.952 27 HB THR 5 HB THR 5 -27.621 -19.716 -49.674 28 HG21 THR 5 HG21 THR 5 -26.893 -18.351 -47.511 29 HG22 THR 5 HG22 THR 5 -26.403 -17.158 -48.713 30 HG23 THR 5 HG23 THR 5 -25.714 -18.781 -48.750 31 HA PRO 6 HA PRO 6 -27.570 -19.958 -54.477 32 HB2 PRO 6 HB2 PRO 6 -26.849 -22.517 -53.370 33 HB3 PRO 6 HB3 PRO 6 -25.901 -21.485 -54.450 34 HG2 PRO 6 HG2 PRO 6 -25.696 -21.838 -51.559 35 HG3 PRO 6 HG3 PRO 6 -24.518 -21.180 -52.704 36 HD2 PRO 6 HD2 PRO 6 -25.853 -19.636 -50.877 37 HD3 PRO 6 HD3 PRO 6 -25.272 -19.012 -52.438 38 H LEU 7 H LEU 7 -29.906 -19.462 -53.699 39 HA LEU 7 HA LEU 7 -31.438 -21.862 -53.963 40 HB2 LEU 7 HB2 LEU 7 -30.757 -21.790 -51.480 41 HB3 LEU 7 HB3 LEU 7 -31.865 -20.423 -51.351 42 HG LEU 7 HG LEU 7 -33.385 -22.236 -52.742 43 HD11 LEU 7 HD11 LEU 7 -31.642 -23.976 -52.434 44 HD12 LEU 7 HD12 LEU 7 -33.138 -24.396 -51.600 45 HD13 LEU 7 HD13 LEU 7 -31.765 -23.770 -50.686 46 HD21 LEU 7 HD21 LEU 7 -34.249 -20.989 -50.886 47 HD22 LEU 7 HD22 LEU 7 -33.103 -21.731 -49.769 48 HD23 LEU 7 HD23 LEU 7 -34.418 -22.690 -50.450 49 H LYS 8 H LYS 8 -31.047 -19.061 -55.013 50 HA LYS 8 HA LYS 8 -33.519 -17.679 -54.455 51 HB2 LYS 8 HB2 LYS 8 -32.716 -16.277 -56.468 52 HB3 LYS 8 HB3 LYS 8 -31.733 -16.247 -55.004 53 HG2 LYS 8 HG2 LYS 8 -30.025 -17.455 -55.955 54 HG3 LYS 8 HG3 LYS 8 -31.116 -18.377 -56.991 55 HD2 LYS 8 HD2 LYS 8 -30.760 -15.431 -57.461 56 HD3 LYS 8 HD3 LYS 8 -29.552 -16.565 -58.067 57 HE2 LYS 8 HE2 LYS 8 -30.987 -17.489 -59.606 58 HE3 LYS 8 HE3 LYS 8 -32.406 -17.237 -58.590 59 HZ1 LYS 8 HZ1 LYS 8 -32.695 -15.137 -59.344 60 HZ2 LYS 8 HZ2 LYS 8 -31.925 -15.775 -60.718 61 HZ3 LYS 8 HZ3 LYS 8 -31.039 -14.862 -59.592 62 HN1 NH2 9 HN1 NH2 9 -35.704 -18.253 -56.145 63 HN2 NH2 9 HN2 NH2 9 -34.935 -17.424 -57.410 64 H1 A2G 10 H1 A2G 10 -29.841 -19.622 -50.228 65 H2 A2G 10 H2 A2G 10 -31.962 -19.839 -48.980 66 HN2 A2G 10 HN2 A2G 10 -31.172 -17.000 -49.272 67 H3 A2G 10 H3 A2G 10 -30.695 -17.942 -46.986 68 HO3 A2G 10 HO3 A2G 10 -32.669 -17.753 -46.358 69 H4 A2G 10 H4 A2G 10 -30.577 -19.812 -45.461 70 HO4 A2G 10 HO4 A2G 10 -31.465 -21.508 -47.529 71 H5 A2G 10 H5 A2G 10 -28.668 -19.565 -47.005 72 H6 A2G 10 H6 A2G 10 -29.345 -22.505 -46.758 73 H8 A2G 10 H8 A2G 10 -32.886 -16.515 -51.971 74 H8A A2G 10 H8A A2G 10 -34.083 -16.268 -50.700 75 H8B A2G 10 H8B A2G 10 -32.426 -15.713 -50.470 76 H14 A2G 10 H14 A2G 10 -27.748 -21.759 -46.724 77 H15 A2G 10 H15 A2G 10 -29.803 -21.614 -44.790 Start of MODEL 27 1 H1 ACE 1 H1 ACE 1 -29.510 -4.972 -44.996 2 H2 ACE 1 H2 ACE 1 -28.287 -6.073 -44.361 3 H3 ACE 1 H3 ACE 1 -29.814 -5.864 -43.505 4 HA PRO 2 HA PRO 2 -31.258 -7.924 -47.714 5 HB2 PRO 2 HB2 PRO 2 -28.843 -8.908 -48.938 6 HB3 PRO 2 HB3 PRO 2 -30.007 -7.745 -49.591 7 HG2 PRO 2 HG2 PRO 2 -27.416 -7.275 -48.328 8 HG3 PRO 2 HG3 PRO 2 -28.378 -6.211 -49.364 9 HD2 PRO 2 HD2 PRO 2 -28.042 -5.782 -46.679 10 HD3 PRO 2 HD3 PRO 2 -29.482 -5.249 -47.576 11 H THR 3 H THR 3 -31.230 -10.291 -48.329 12 HA THR 3 HA THR 3 -29.699 -12.038 -46.569 13 HB THR 3 HB THR 3 -32.295 -13.028 -46.278 14 HG1 THR 3 HG1 THR 3 -32.510 -10.519 -46.828 15 HG21 THR 3 HG21 THR 3 -31.941 -12.295 -43.890 16 HG22 THR 3 HG22 THR 3 -30.493 -11.445 -44.432 17 HG23 THR 3 HG23 THR 3 -30.594 -13.200 -44.580 18 H THR 4 H THR 4 -28.818 -13.102 -48.293 19 HA THR 4 HA THR 4 -30.605 -14.880 -49.763 20 HB THR 4 HB THR 4 -29.388 -14.238 -51.925 21 HG1 THR 4 HG1 THR 4 -27.803 -12.925 -51.294 22 HG21 THR 4 HG21 THR 4 -31.765 -13.681 -51.372 23 HG22 THR 4 HG22 THR 4 -30.990 -12.477 -52.401 24 HG23 THR 4 HG23 THR 4 -31.205 -12.159 -50.679 25 H THR 5 H THR 5 -29.416 -16.564 -50.930 26 HA THR 5 HA THR 5 -26.595 -16.881 -50.240 27 HB THR 5 HB THR 5 -27.403 -19.354 -49.536 28 HG21 THR 5 HG21 THR 5 -26.006 -17.586 -48.286 29 HG22 THR 5 HG22 THR 5 -26.922 -18.724 -47.299 30 HG23 THR 5 HG23 THR 5 -27.527 -17.086 -47.546 31 HA PRO 6 HA PRO 6 -26.000 -18.806 -54.103 32 HB2 PRO 6 HB2 PRO 6 -25.126 -21.372 -53.126 33 HB3 PRO 6 HB3 PRO 6 -24.137 -20.044 -53.755 34 HG2 PRO 6 HG2 PRO 6 -24.662 -20.828 -50.991 35 HG3 PRO 6 HG3 PRO 6 -23.367 -19.819 -51.654 36 HD2 PRO 6 HD2 PRO 6 -25.422 -18.817 -50.144 37 HD3 PRO 6 HD3 PRO 6 -24.571 -17.866 -51.382 38 H LEU 7 H LEU 7 -28.385 -18.849 -54.346 39 HA LEU 7 HA LEU 7 -29.293 -21.472 -55.047 40 HB2 LEU 7 HB2 LEU 7 -29.651 -21.138 -52.449 41 HB3 LEU 7 HB3 LEU 7 -31.050 -20.207 -52.987 42 HG LEU 7 HG LEU 7 -31.407 -22.332 -54.555 43 HD11 LEU 7 HD11 LEU 7 -29.994 -23.465 -52.121 44 HD12 LEU 7 HD12 LEU 7 -29.319 -23.425 -53.750 45 HD13 LEU 7 HD13 LEU 7 -30.752 -24.396 -53.413 46 HD21 LEU 7 HD21 LEU 7 -33.111 -21.634 -53.035 47 HD22 LEU 7 HD22 LEU 7 -32.117 -22.021 -51.631 48 HD23 LEU 7 HD23 LEU 7 -32.781 -23.317 -52.626 49 H LYS 8 H LYS 8 -32.126 -20.685 -54.681 50 HA LYS 8 HA LYS 8 -32.401 -19.187 -57.134 51 HB2 LYS 8 HB2 LYS 8 -33.897 -21.105 -56.399 52 HB3 LYS 8 HB3 LYS 8 -34.608 -19.988 -55.234 53 HG2 LYS 8 HG2 LYS 8 -35.187 -18.442 -57.076 54 HG3 LYS 8 HG3 LYS 8 -34.503 -19.581 -58.236 55 HD2 LYS 8 HD2 LYS 8 -36.209 -21.191 -56.802 56 HD3 LYS 8 HD3 LYS 8 -37.089 -19.663 -56.835 57 HE2 LYS 8 HE2 LYS 8 -36.734 -19.575 -59.315 58 HE3 LYS 8 HE3 LYS 8 -36.009 -21.180 -59.228 59 HZ1 LYS 8 HZ1 LYS 8 -38.496 -21.106 -57.859 60 HZ2 LYS 8 HZ2 LYS 8 -38.005 -22.107 -59.141 61 HZ3 LYS 8 HZ3 LYS 8 -38.686 -20.584 -59.462 62 HN1 NH2 9 HN1 NH2 9 -32.261 -16.124 -55.990 63 HN2 NH2 9 HN2 NH2 9 -31.200 -17.221 -55.247 64 H1 A2G 10 H1 A2G 10 -29.353 -19.751 -50.487 65 H2 A2G 10 H2 A2G 10 -31.609 -20.464 -49.775 66 HN2 A2G 10 HN2 A2G 10 -31.414 -17.515 -49.970 67 H3 A2G 10 H3 A2G 10 -31.314 -18.376 -47.600 68 HO3 A2G 10 HO3 A2G 10 -33.420 -18.688 -48.275 69 H4 A2G 10 H4 A2G 10 -31.152 -20.207 -46.031 70 HO4 A2G 10 HO4 A2G 10 -32.459 -21.565 -47.605 71 H5 A2G 10 H5 A2G 10 -29.033 -19.503 -47.080 72 H6 A2G 10 H6 A2G 10 -29.160 -22.525 -46.840 73 H8 A2G 10 H8 A2G 10 -32.549 -17.428 -53.043 74 H8A A2G 10 H8A A2G 10 -33.979 -17.355 -52.013 75 H8B A2G 10 H8B A2G 10 -32.504 -16.513 -51.536 76 H14 A2G 10 H14 A2G 10 -27.743 -21.504 -46.598 77 H15 A2G 10 H15 A2G 10 -29.381 -22.254 -44.770 Start of MODEL 28 1 H1 ACE 1 H1 ACE 1 -27.728 -9.965 -50.634 2 H2 ACE 1 H2 ACE 1 -26.481 -11.211 -50.675 3 H3 ACE 1 H3 ACE 1 -26.097 -9.599 -50.071 4 HA PRO 2 HA PRO 2 -27.613 -10.616 -46.044 5 HB2 PRO 2 HB2 PRO 2 -29.947 -8.939 -45.832 6 HB3 PRO 2 HB3 PRO 2 -28.313 -8.624 -45.229 7 HG2 PRO 2 HG2 PRO 2 -29.558 -7.260 -47.283 8 HG3 PRO 2 HG3 PRO 2 -27.817 -7.286 -46.968 9 HD2 PRO 2 HD2 PRO 2 -29.378 -8.763 -49.036 10 HD3 PRO 2 HD3 PRO 2 -27.698 -8.183 -49.085 11 H THR 3 H THR 3 -30.751 -10.020 -47.653 12 HA THR 3 HA THR 3 -31.877 -12.383 -46.366 13 HB THR 3 HB THR 3 -33.974 -11.583 -47.606 14 HG1 THR 3 HG1 THR 3 -32.411 -9.246 -47.894 15 HG21 THR 3 HG21 THR 3 -32.528 -10.364 -45.349 16 HG22 THR 3 HG22 THR 3 -34.196 -10.929 -45.445 17 HG23 THR 3 HG23 THR 3 -33.769 -9.330 -46.055 18 H THR 4 H THR 4 -29.798 -12.753 -48.368 19 HA THR 4 HA THR 4 -31.242 -14.611 -50.094 20 HB THR 4 HB THR 4 -29.891 -13.735 -52.088 21 HG1 THR 4 HG1 THR 4 -28.530 -12.282 -51.330 22 HG21 THR 4 HG21 THR 4 -32.023 -11.911 -50.943 23 HG22 THR 4 HG22 THR 4 -32.355 -13.441 -51.756 24 HG23 THR 4 HG23 THR 4 -31.610 -12.112 -52.645 25 H THR 5 H THR 5 -29.970 -16.314 -50.832 26 HA THR 5 HA THR 5 -27.111 -16.316 -50.230 27 HB THR 5 HB THR 5 -27.650 -18.703 -49.146 28 HG21 THR 5 HG21 THR 5 -27.969 -16.135 -47.573 29 HG22 THR 5 HG22 THR 5 -26.414 -16.730 -48.153 30 HG23 THR 5 HG23 THR 5 -27.341 -17.675 -46.989 31 HA PRO 6 HA PRO 6 -26.483 -18.722 -53.808 32 HB2 PRO 6 HB2 PRO 6 -25.391 -21.057 -52.522 33 HB3 PRO 6 HB3 PRO 6 -24.523 -19.766 -53.365 34 HG2 PRO 6 HG2 PRO 6 -24.907 -20.189 -50.502 35 HG3 PRO 6 HG3 PRO 6 -23.712 -19.196 -51.347 36 HD2 PRO 6 HD2 PRO 6 -25.790 -18.137 -49.911 37 HD3 PRO 6 HD3 PRO 6 -25.049 -17.312 -51.301 38 H LEU 7 H LEU 7 -28.820 -18.999 -54.048 39 HA LEU 7 HA LEU 7 -29.553 -21.759 -54.257 40 HB2 LEU 7 HB2 LEU 7 -29.971 -20.899 -51.759 41 HB3 LEU 7 HB3 LEU 7 -31.459 -20.301 -52.496 42 HG LEU 7 HG LEU 7 -30.448 -23.158 -52.636 43 HD11 LEU 7 HD11 LEU 7 -32.939 -22.139 -51.266 44 HD12 LEU 7 HD12 LEU 7 -31.398 -22.258 -50.418 45 HD13 LEU 7 HD13 LEU 7 -32.154 -23.707 -51.080 46 HD21 LEU 7 HD21 LEU 7 -31.667 -22.697 -54.640 47 HD22 LEU 7 HD22 LEU 7 -32.873 -21.748 -53.772 48 HD23 LEU 7 HD23 LEU 7 -32.811 -23.498 -53.565 49 H LYS 8 H LYS 8 -31.223 -18.635 -53.773 50 HA LYS 8 HA LYS 8 -31.994 -18.499 -56.549 51 HB2 LYS 8 HB2 LYS 8 -33.606 -20.148 -55.310 52 HB3 LYS 8 HB3 LYS 8 -34.300 -18.671 -54.640 53 HG2 LYS 8 HG2 LYS 8 -35.563 -18.825 -56.566 54 HG3 LYS 8 HG3 LYS 8 -34.193 -17.911 -57.201 55 HD2 LYS 8 HD2 LYS 8 -33.129 -20.054 -57.899 56 HD3 LYS 8 HD3 LYS 8 -34.568 -20.916 -57.351 57 HE2 LYS 8 HE2 LYS 8 -34.590 -20.448 -59.810 58 HE3 LYS 8 HE3 LYS 8 -35.953 -19.723 -58.957 59 HZ1 LYS 8 HZ1 LYS 8 -33.478 -18.180 -59.330 60 HZ2 LYS 8 HZ2 LYS 8 -35.072 -17.625 -59.136 61 HZ3 LYS 8 HZ3 LYS 8 -34.583 -18.309 -60.611 62 HN1 NH2 9 HN1 NH2 9 -30.801 -16.336 -54.382 63 HN2 NH2 9 HN2 NH2 9 -32.177 -16.130 -53.410 64 H1 A2G 10 H1 A2G 10 -29.562 -19.381 -50.068 65 H2 A2G 10 H2 A2G 10 -31.739 -20.238 -49.278 66 HN2 A2G 10 HN2 A2G 10 -31.752 -17.323 -49.804 67 H3 A2G 10 H3 A2G 10 -31.651 -17.939 -47.308 68 HO3 A2G 10 HO3 A2G 10 -33.385 -20.072 -47.060 69 H4 A2G 10 H4 A2G 10 -31.316 -19.591 -45.577 70 HO4 A2G 10 HO4 A2G 10 -32.027 -21.503 -46.001 71 H5 A2G 10 H5 A2G 10 -29.273 -18.786 -46.702 72 H6 A2G 10 H6 A2G 10 -29.291 -21.738 -46.001 73 H8 A2G 10 H8 A2G 10 -33.118 -17.815 -52.818 74 H8A A2G 10 H8A A2G 10 -34.372 -17.377 -51.658 75 H8B A2G 10 H8B A2G 10 -32.783 -16.615 -51.571 76 H14 A2G 10 H14 A2G 10 -27.819 -20.790 -46.220 77 H15 A2G 10 H15 A2G 10 -29.633 -20.805 -44.149 Start of MODEL 29 1 H1 ACE 1 H1 ACE 1 -26.126 -13.405 -47.411 2 H2 ACE 1 H2 ACE 1 -25.147 -12.927 -46.025 3 H3 ACE 1 H3 ACE 1 -25.427 -11.787 -47.341 4 HA PRO 2 HA PRO 2 -28.448 -11.444 -43.564 5 HB2 PRO 2 HB2 PRO 2 -27.889 -8.621 -43.705 6 HB3 PRO 2 HB3 PRO 2 -27.526 -9.745 -42.386 7 HG2 PRO 2 HG2 PRO 2 -25.771 -8.691 -44.467 8 HG3 PRO 2 HG3 PRO 2 -25.363 -9.440 -42.917 9 HD2 PRO 2 HD2 PRO 2 -24.942 -10.668 -45.328 10 HD3 PRO 2 HD3 PRO 2 -25.247 -11.563 -43.822 11 H THR 3 H THR 3 -27.915 -10.054 -46.693 12 HA THR 3 HA THR 3 -30.551 -8.811 -46.819 13 HB THR 3 HB THR 3 -28.643 -7.694 -47.900 14 HG1 THR 3 HG1 THR 3 -30.964 -8.345 -49.028 15 HG21 THR 3 HG21 THR 3 -28.577 -9.894 -49.945 16 HG22 THR 3 HG22 THR 3 -27.611 -10.030 -48.475 17 HG23 THR 3 HG23 THR 3 -27.351 -8.679 -49.579 18 H THR 4 H THR 4 -28.783 -11.412 -48.500 19 HA THR 4 HA THR 4 -31.282 -12.882 -48.829 20 HB THR 4 HB THR 4 -29.768 -12.791 -51.339 21 HG1 THR 4 HG1 THR 4 -31.140 -10.501 -50.383 22 HG21 THR 4 HG21 THR 4 -32.679 -12.265 -50.690 23 HG22 THR 4 HG22 THR 4 -31.997 -13.868 -50.961 24 HG23 THR 4 HG23 THR 4 -32.008 -12.683 -52.266 25 H THR 5 H THR 5 -30.520 -14.880 -50.454 26 HA THR 5 HA THR 5 -27.905 -15.870 -49.600 27 HB THR 5 HB THR 5 -29.003 -18.048 -48.865 28 HG21 THR 5 HG21 THR 5 -28.246 -15.895 -47.432 29 HG22 THR 5 HG22 THR 5 -28.952 -17.328 -46.685 30 HG23 THR 5 HG23 THR 5 -29.961 -15.920 -47.018 31 HA PRO 6 HA PRO 6 -27.507 -17.723 -53.531 32 HB2 PRO 6 HB2 PRO 6 -27.186 -20.431 -52.603 33 HB3 PRO 6 HB3 PRO 6 -25.933 -19.305 -53.147 34 HG2 PRO 6 HG2 PRO 6 -26.727 -20.038 -50.434 35 HG3 PRO 6 HG3 PRO 6 -25.235 -19.282 -51.010 36 HD2 PRO 6 HD2 PRO 6 -27.129 -17.939 -49.555 37 HD3 PRO 6 HD3 PRO 6 -26.053 -17.140 -50.724 38 H LEU 7 H LEU 7 -29.392 -17.742 -54.651 39 HA LEU 7 HA LEU 7 -31.719 -19.180 -53.804 40 HB2 LEU 7 HB2 LEU 7 -32.697 -18.432 -55.904 41 HB3 LEU 7 HB3 LEU 7 -31.815 -17.098 -55.160 42 HG LEU 7 HG LEU 7 -29.885 -18.387 -56.697 43 HD11 LEU 7 HD11 LEU 7 -31.852 -19.636 -57.733 44 HD12 LEU 7 HD12 LEU 7 -30.832 -18.752 -58.868 45 HD13 LEU 7 HD13 LEU 7 -32.387 -18.081 -58.374 46 HD21 LEU 7 HD21 LEU 7 -31.636 -16.010 -57.406 47 HD22 LEU 7 HD22 LEU 7 -30.061 -16.368 -58.115 48 HD23 LEU 7 HD23 LEU 7 -30.185 -15.953 -56.405 49 H LYS 8 H LYS 8 -32.828 -20.744 -55.313 50 HA LYS 8 HA LYS 8 -31.037 -22.947 -55.832 51 HB2 LYS 8 HB2 LYS 8 -33.385 -23.153 -54.891 52 HB3 LYS 8 HB3 LYS 8 -33.976 -22.783 -56.512 53 HG2 LYS 8 HG2 LYS 8 -33.802 -24.997 -56.930 54 HG3 LYS 8 HG3 LYS 8 -32.057 -24.741 -56.959 55 HD2 LYS 8 HD2 LYS 8 -32.012 -25.125 -54.483 56 HD3 LYS 8 HD3 LYS 8 -33.726 -25.532 -54.557 57 HE2 LYS 8 HE2 LYS 8 -32.717 -27.638 -54.724 58 HE3 LYS 8 HE3 LYS 8 -32.978 -27.218 -56.417 59 HZ1 LYS 8 HZ1 LYS 8 -30.764 -27.946 -56.254 60 HZ2 LYS 8 HZ2 LYS 8 -30.467 -27.023 -54.859 61 HZ3 LYS 8 HZ3 LYS 8 -30.672 -26.257 -56.361 62 HN1 NH2 9 HN1 NH2 9 -29.729 -22.384 -57.878 63 HN2 NH2 9 HN2 NH2 9 -30.603 -23.139 -59.122 64 H1 A2G 10 H1 A2G 10 -30.660 -18.554 -50.381 65 H2 A2G 10 H2 A2G 10 -32.939 -19.455 -50.080 66 HN2 A2G 10 HN2 A2G 10 -32.969 -16.508 -50.366 67 H3 A2G 10 H3 A2G 10 -33.252 -17.291 -47.984 68 HO3 A2G 10 HO3 A2G 10 -35.121 -18.970 -47.718 69 H4 A2G 10 H4 A2G 10 -33.238 -19.053 -46.331 70 HO4 A2G 10 HO4 A2G 10 -33.448 -20.609 -48.599 71 H5 A2G 10 H5 A2G 10 -31.026 -18.181 -46.991 72 H6 A2G 10 H6 A2G 10 -30.938 -21.195 -46.639 73 H8 A2G 10 H8 A2G 10 -33.493 -16.621 -53.606 74 H8A A2G 10 H8A A2G 10 -35.090 -16.640 -52.860 75 H8B A2G 10 H8B A2G 10 -33.803 -15.657 -52.163 76 H14 A2G 10 H14 A2G 10 -29.681 -20.043 -46.189 77 H15 A2G 10 H15 A2G 10 -31.741 -20.852 -44.749 Start of MODEL 30 1 H1 ACE 1 H1 ACE 1 -27.712 -7.081 -41.990 2 H2 ACE 1 H2 ACE 1 -26.468 -6.336 -42.994 3 H3 ACE 1 H3 ACE 1 -26.102 -7.795 -42.074 4 HA PRO 2 HA PRO 2 -27.143 -10.649 -45.224 5 HB2 PRO 2 HB2 PRO 2 -29.567 -11.715 -44.089 6 HB3 PRO 2 HB3 PRO 2 -27.951 -12.435 -44.091 7 HG2 PRO 2 HG2 PRO 2 -29.341 -10.996 -41.966 8 HG3 PRO 2 HG3 PRO 2 -27.950 -12.084 -41.871 9 HD2 PRO 2 HD2 PRO 2 -27.763 -9.379 -41.480 10 HD3 PRO 2 HD3 PRO 2 -26.422 -10.366 -42.103 11 H THR 3 H THR 3 -28.806 -11.208 -46.869 12 HA THR 3 HA THR 3 -31.123 -9.446 -47.036 13 HB THR 3 HB THR 3 -30.458 -8.614 -49.286 14 HG1 THR 3 HG1 THR 3 -28.816 -9.550 -50.157 15 HG21 THR 3 HG21 THR 3 -29.056 -6.870 -48.469 16 HG22 THR 3 HG22 THR 3 -28.356 -7.915 -47.232 17 HG23 THR 3 HG23 THR 3 -30.029 -7.377 -47.088 18 H THR 4 H THR 4 -29.082 -11.775 -48.801 19 HA THR 4 HA THR 4 -31.432 -13.425 -49.315 20 HB THR 4 HB THR 4 -30.024 -13.299 -51.787 21 HG1 THR 4 HG1 THR 4 -29.412 -11.205 -51.026 22 HG21 THR 4 HG21 THR 4 -32.397 -13.928 -51.411 23 HG22 THR 4 HG22 THR 4 -32.233 -12.666 -52.632 24 HG23 THR 4 HG23 THR 4 -32.756 -12.251 -51.000 25 H THR 5 H THR 5 -30.508 -15.310 -50.920 26 HA THR 5 HA THR 5 -27.818 -16.103 -50.094 27 HB THR 5 HB THR 5 -28.708 -18.358 -49.365 28 HG21 THR 5 HG21 THR 5 -28.837 -17.653 -47.171 29 HG22 THR 5 HG22 THR 5 -29.909 -16.308 -47.559 30 HG23 THR 5 HG23 THR 5 -28.183 -16.186 -47.900 31 HA PRO 6 HA PRO 6 -27.297 -17.848 -54.061 32 HB2 PRO 6 HB2 PRO 6 -26.747 -20.535 -53.180 33 HB3 PRO 6 HB3 PRO 6 -25.596 -19.300 -53.712 34 HG2 PRO 6 HG2 PRO 6 -26.307 -20.141 -51.008 35 HG3 PRO 6 HG3 PRO 6 -24.887 -19.255 -51.579 36 HD2 PRO 6 HD2 PRO 6 -26.874 -18.097 -50.091 37 HD3 PRO 6 HD3 PRO 6 -25.877 -17.193 -51.253 38 H LEU 7 H LEU 7 -28.827 -18.436 -55.487 39 HA LEU 7 HA LEU 7 -31.276 -19.656 -54.645 40 HB2 LEU 7 HB2 LEU 7 -30.344 -19.319 -57.497 41 HB3 LEU 7 HB3 LEU 7 -32.000 -19.367 -56.891 42 HG LEU 7 HG LEU 7 -30.901 -17.300 -55.432 43 HD11 LEU 7 HD11 LEU 7 -29.955 -16.918 -58.276 44 HD12 LEU 7 HD12 LEU 7 -28.891 -17.556 -57.023 45 HD13 LEU 7 HD13 LEU 7 -29.577 -15.939 -56.859 46 HD21 LEU 7 HD21 LEU 7 -32.315 -17.153 -58.116 47 HD22 LEU 7 HD22 LEU 7 -32.240 -15.856 -56.922 48 HD23 LEU 7 HD23 LEU 7 -33.107 -17.346 -56.552 49 H LYS 8 H LYS 8 -32.170 -21.639 -55.505 50 HA LYS 8 HA LYS 8 -30.258 -23.800 -55.421 51 HB2 LYS 8 HB2 LYS 8 -32.489 -25.105 -55.967 52 HB3 LYS 8 HB3 LYS 8 -32.218 -24.422 -54.362 53 HG2 LYS 8 HG2 LYS 8 -33.477 -22.660 -56.418 54 HG3 LYS 8 HG3 LYS 8 -34.469 -23.941 -55.722 55 HD2 LYS 8 HD2 LYS 8 -32.843 -22.245 -53.868 56 HD3 LYS 8 HD3 LYS 8 -34.315 -21.559 -54.556 57 HE2 LYS 8 HE2 LYS 8 -35.614 -23.477 -53.724 58 HE3 LYS 8 HE3 LYS 8 -34.145 -24.189 -53.056 59 HZ1 LYS 8 HZ1 LYS 8 -35.239 -23.047 -51.311 60 HZ2 LYS 8 HZ2 LYS 8 -35.446 -21.648 -52.252 61 HZ3 LYS 8 HZ3 LYS 8 -33.893 -22.106 -51.736 62 HN1 NH2 9 HN1 NH2 9 -29.726 -23.075 -58.836 63 HN2 NH2 9 HN2 NH2 9 -29.012 -23.933 -57.557 64 H1 A2G 10 H1 A2G 10 -30.250 -19.028 -50.920 65 H2 A2G 10 H2 A2G 10 -32.438 -20.154 -50.718 66 HN2 A2G 10 HN2 A2G 10 -32.766 -17.224 -50.980 67 H3 A2G 10 H3 A2G 10 -33.050 -18.054 -48.623 68 HO3 A2G 10 HO3 A2G 10 -34.814 -19.722 -48.383 69 H4 A2G 10 H4 A2G 10 -32.925 -19.823 -46.983 70 HO4 A2G 10 HO4 A2G 10 -32.408 -21.920 -47.607 71 H5 A2G 10 H5 A2G 10 -30.787 -18.729 -47.546 72 H6 A2G 10 H6 A2G 10 -30.327 -21.709 -47.252 73 H8 A2G 10 H8 A2G 10 -32.916 -17.347 -54.232 74 H8A A2G 10 H8A A2G 10 -34.595 -17.510 -53.716 75 H8B A2G 10 H8B A2G 10 -33.506 -16.431 -52.845 76 H14 A2G 10 H14 A2G 10 -29.324 -20.400 -46.630 77 H15 A2G 10 H15 A2G 10 -31.147 -19.790 -45.332 Start of MODEL 31 1 H1 ACE 1 H1 ACE 1 -26.629 -8.085 -44.004 2 H2 ACE 1 H2 ACE 1 -26.309 -7.115 -45.442 3 H3 ACE 1 H3 ACE 1 -25.915 -8.835 -45.432 4 HA PRO 2 HA PRO 2 -30.147 -8.335 -47.264 5 HB2 PRO 2 HB2 PRO 2 -29.274 -9.924 -49.505 6 HB3 PRO 2 HB3 PRO 2 -29.731 -8.214 -49.485 7 HG2 PRO 2 HG2 PRO 2 -27.185 -9.191 -49.926 8 HG3 PRO 2 HG3 PRO 2 -27.588 -7.534 -49.452 9 HD2 PRO 2 HD2 PRO 2 -26.513 -9.760 -47.783 10 HD3 PRO 2 HD3 PRO 2 -26.280 -8.004 -47.616 11 H THR 3 H THR 3 -31.772 -9.955 -47.538 12 HA THR 3 HA THR 3 -31.153 -12.447 -46.154 13 HB THR 3 HB THR 3 -33.147 -11.530 -45.350 14 HG1 THR 3 HG1 THR 3 -34.420 -13.160 -45.748 15 HG21 THR 3 HG21 THR 3 -34.944 -10.724 -46.957 16 HG22 THR 3 HG22 THR 3 -33.746 -10.877 -48.241 17 HG23 THR 3 HG23 THR 3 -33.476 -9.747 -46.914 18 H THR 4 H THR 4 -29.771 -12.929 -48.187 19 HA THR 4 HA THR 4 -31.328 -14.772 -49.828 20 HB THR 4 HB THR 4 -29.744 -13.650 -51.767 21 HG1 THR 4 HG1 THR 4 -29.267 -11.913 -50.358 22 HG21 THR 4 HG21 THR 4 -31.863 -12.677 -52.603 23 HG22 THR 4 HG22 THR 4 -32.596 -12.946 -51.023 24 HG23 THR 4 HG23 THR 4 -32.091 -14.320 -52.006 25 H THR 5 H THR 5 -30.059 -16.399 -50.806 26 HA THR 5 HA THR 5 -27.181 -16.403 -50.310 27 HB THR 5 HB THR 5 -27.641 -18.865 -49.379 28 HG21 THR 5 HG21 THR 5 -28.017 -16.491 -47.550 29 HG22 THR 5 HG22 THR 5 -26.464 -16.845 -48.307 30 HG23 THR 5 HG23 THR 5 -27.194 -18.013 -47.206 31 HA PRO 6 HA PRO 6 -26.655 -18.543 -54.069 32 HB2 PRO 6 HB2 PRO 6 -25.502 -20.954 -52.993 33 HB3 PRO 6 HB3 PRO 6 -24.674 -19.596 -53.770 34 HG2 PRO 6 HG2 PRO 6 -24.957 -20.228 -50.933 35 HG3 PRO 6 HG3 PRO 6 -23.798 -19.164 -51.745 36 HD2 PRO 6 HD2 PRO 6 -25.834 -18.233 -50.166 37 HD3 PRO 6 HD3 PRO 6 -25.147 -17.302 -51.516 38 H LEU 7 H LEU 7 -28.864 -18.925 -54.527 39 HA LEU 7 HA LEU 7 -29.606 -21.695 -54.634 40 HB2 LEU 7 HB2 LEU 7 -30.230 -20.690 -52.247 41 HB3 LEU 7 HB3 LEU 7 -31.622 -20.081 -53.144 42 HG LEU 7 HG LEU 7 -32.174 -22.270 -52.234 43 HD11 LEU 7 HD11 LEU 7 -32.962 -23.281 -54.219 44 HD12 LEU 7 HD12 LEU 7 -31.562 -22.751 -55.149 45 HD13 LEU 7 HD13 LEU 7 -32.787 -21.582 -54.657 46 HD21 LEU 7 HD21 LEU 7 -29.484 -22.809 -52.584 47 HD22 LEU 7 HD22 LEU 7 -30.237 -23.780 -53.849 48 HD23 LEU 7 HD23 LEU 7 -30.711 -24.004 -52.165 49 H LYS 8 H LYS 8 -31.005 -18.410 -54.657 50 HA LYS 8 HA LYS 8 -32.803 -19.059 -56.819 51 HB2 LYS 8 HB2 LYS 8 -32.589 -17.011 -54.880 52 HB3 LYS 8 HB3 LYS 8 -32.468 -16.229 -56.457 53 HG2 LYS 8 HG2 LYS 8 -34.812 -16.362 -55.877 54 HG3 LYS 8 HG3 LYS 8 -34.509 -17.521 -57.171 55 HD2 LYS 8 HD2 LYS 8 -33.981 -18.934 -54.807 56 HD3 LYS 8 HD3 LYS 8 -35.441 -18.006 -54.463 57 HE2 LYS 8 HE2 LYS 8 -36.436 -18.859 -56.587 58 HE3 LYS 8 HE3 LYS 8 -35.006 -19.864 -56.819 59 HZ1 LYS 8 HZ1 LYS 8 -37.145 -20.102 -54.828 60 HZ2 LYS 8 HZ2 LYS 8 -35.584 -20.623 -54.406 61 HZ3 LYS 8 HZ3 LYS 8 -36.380 -21.310 -55.740 62 HN1 NH2 9 HN1 NH2 9 -29.832 -19.355 -57.571 63 HN2 NH2 9 HN2 NH2 9 -29.269 -17.843 -58.099 64 H1 A2G 10 H1 A2G 10 -29.510 -19.656 -50.161 65 H2 A2G 10 H2 A2G 10 -31.628 -20.599 -49.309 66 HN2 A2G 10 HN2 A2G 10 -31.882 -17.694 -49.824 67 H3 A2G 10 H3 A2G 10 -31.612 -18.258 -47.388 68 HO3 A2G 10 HO3 A2G 10 -33.371 -19.594 -46.532 69 H4 A2G 10 H4 A2G 10 -31.166 -19.856 -45.631 70 HO4 A2G 10 HO4 A2G 10 -31.717 -21.831 -45.974 71 H5 A2G 10 H5 A2G 10 -29.185 -18.978 -46.813 72 H6 A2G 10 H6 A2G 10 -28.819 -21.939 -46.278 73 H8 A2G 10 H8 A2G 10 -33.014 -18.075 -52.854 74 H8A A2G 10 H8A A2G 10 -34.452 -18.187 -51.841 75 H8B A2G 10 H8B A2G 10 -33.170 -17.048 -51.429 76 H14 A2G 10 H14 A2G 10 -27.614 -20.662 -46.106 77 H15 A2G 10 H15 A2G 10 -29.545 -19.851 -44.636 Start of MODEL 32 1 H1 ACE 1 H1 ACE 1 -29.033 -7.391 -44.016 2 H2 ACE 1 H2 ACE 1 -27.700 -8.453 -43.561 3 H3 ACE 1 H3 ACE 1 -29.356 -8.884 -43.134 4 HA PRO 2 HA PRO 2 -27.659 -10.809 -47.250 5 HB2 PRO 2 HB2 PRO 2 -28.694 -13.290 -46.213 6 HB3 PRO 2 HB3 PRO 2 -27.011 -12.869 -46.568 7 HG2 PRO 2 HG2 PRO 2 -28.415 -12.927 -44.008 8 HG3 PRO 2 HG3 PRO 2 -26.679 -12.945 -44.346 9 HD2 PRO 2 HD2 PRO 2 -27.969 -10.787 -43.260 10 HD3 PRO 2 HD3 PRO 2 -26.501 -10.643 -44.255 11 H THR 3 H THR 3 -29.133 -10.315 -48.769 12 HA THR 3 HA THR 3 -31.983 -10.638 -48.237 13 HB THR 3 HB THR 3 -31.153 -8.588 -49.348 14 HG1 THR 3 HG1 THR 3 -33.166 -10.070 -50.017 15 HG21 THR 3 HG21 THR 3 -30.719 -9.862 -51.944 16 HG22 THR 3 HG22 THR 3 -29.526 -10.351 -50.740 17 HG23 THR 3 HG23 THR 3 -29.750 -8.643 -51.116 18 H THR 4 H THR 4 -29.426 -12.323 -49.786 19 HA THR 4 HA THR 4 -31.288 -14.403 -50.636 20 HB THR 4 HB THR 4 -29.600 -14.271 -52.827 21 HG1 THR 4 HG1 THR 4 -28.904 -12.235 -52.417 22 HG21 THR 4 HG21 THR 4 -31.670 -13.415 -53.985 23 HG22 THR 4 HG22 THR 4 -32.404 -13.215 -52.394 24 HG23 THR 4 HG23 THR 4 -31.946 -14.822 -52.958 25 H THR 5 H THR 5 -30.164 -16.403 -51.235 26 HA THR 5 HA THR 5 -27.347 -16.588 -50.480 27 HB THR 5 HB THR 5 -28.204 -18.690 -49.047 28 HG21 THR 5 HG21 THR 5 -28.246 -15.872 -47.939 29 HG22 THR 5 HG22 THR 5 -26.760 -16.736 -48.338 30 HG23 THR 5 HG23 THR 5 -27.828 -17.354 -47.079 31 HA PRO 6 HA PRO 6 -26.866 -19.613 -53.583 32 HB2 PRO 6 HB2 PRO 6 -26.014 -21.767 -51.872 33 HB3 PRO 6 HB3 PRO 6 -25.017 -20.722 -52.895 34 HG2 PRO 6 HG2 PRO 6 -25.498 -20.597 -50.017 35 HG3 PRO 6 HG3 PRO 6 -24.202 -19.872 -50.980 36 HD2 PRO 6 HD2 PRO 6 -26.207 -18.406 -49.827 37 HD3 PRO 6 HD3 PRO 6 -25.367 -17.906 -51.312 38 H LEU 7 H LEU 7 -29.345 -19.564 -53.538 39 HA LEU 7 HA LEU 7 -30.310 -22.255 -53.593 40 HB2 LEU 7 HB2 LEU 7 -30.380 -21.551 -51.102 41 HB3 LEU 7 HB3 LEU 7 -31.724 -20.516 -51.586 42 HG LEU 7 HG LEU 7 -32.425 -22.851 -52.805 43 HD11 LEU 7 HD11 LEU 7 -30.402 -23.900 -51.630 44 HD12 LEU 7 HD12 LEU 7 -31.947 -24.717 -51.399 45 HD13 LEU 7 HD13 LEU 7 -31.296 -23.684 -50.126 46 HD21 LEU 7 HD21 LEU 7 -33.021 -21.812 -50.025 47 HD22 LEU 7 HD22 LEU 7 -33.878 -23.189 -50.719 48 HD23 LEU 7 HD23 LEU 7 -33.982 -21.605 -51.490 49 H LYS 8 H LYS 8 -30.133 -19.570 -55.055 50 HA LYS 8 HA LYS 8 -32.882 -18.803 -55.490 51 HB2 LYS 8 HB2 LYS 8 -30.855 -17.277 -55.707 52 HB3 LYS 8 HB3 LYS 8 -30.514 -18.105 -57.227 53 HG2 LYS 8 HG2 LYS 8 -33.131 -17.570 -57.603 54 HG3 LYS 8 HG3 LYS 8 -32.711 -16.218 -56.549 55 HD2 LYS 8 HD2 LYS 8 -31.309 -16.964 -59.134 56 HD3 LYS 8 HD3 LYS 8 -32.376 -15.581 -58.893 57 HE2 LYS 8 HE2 LYS 8 -30.393 -14.503 -58.499 58 HE3 LYS 8 HE3 LYS 8 -30.636 -15.147 -56.876 59 HZ1 LYS 8 HZ1 LYS 8 -28.413 -15.556 -58.140 60 HZ2 LYS 8 HZ2 LYS 8 -29.286 -16.812 -58.880 61 HZ3 LYS 8 HZ3 LYS 8 -29.095 -16.785 -57.191 62 HN1 NH2 9 HN1 NH2 9 -32.656 -19.924 -59.110 63 HN2 NH2 9 HN2 NH2 9 -31.316 -19.037 -58.566 64 H1 A2G 10 H1 A2G 10 -30.210 -19.182 -50.064 65 H2 A2G 10 H2 A2G 10 -32.475 -19.680 -49.215 66 HN2 A2G 10 HN2 A2G 10 -32.204 -16.820 -49.934 67 H3 A2G 10 H3 A2G 10 -32.084 -17.246 -47.455 68 HO3 A2G 10 HO3 A2G 10 -34.137 -19.171 -47.772 69 H4 A2G 10 H4 A2G 10 -31.954 -18.767 -45.583 70 HO4 A2G 10 HO4 A2G 10 -33.350 -20.350 -46.567 71 H5 A2G 10 H5 A2G 10 -29.831 -18.333 -46.762 72 H6 A2G 10 H6 A2G 10 -29.805 -21.277 -46.147 73 H8 A2G 10 H8 A2G 10 -33.063 -17.143 -52.917 74 H8A A2G 10 H8A A2G 10 -34.693 -17.128 -52.244 75 H8B A2G 10 H8B A2G 10 -33.452 -16.072 -51.570 76 H14 A2G 10 H14 A2G 10 -28.612 -20.046 -45.732 77 H15 A2G 10 H15 A2G 10 -31.078 -20.628 -44.532 Start of MODEL 33 1 H1 ACE 1 H1 ACE 1 -26.419 -10.823 -41.516 2 H2 ACE 1 H2 ACE 1 -25.073 -11.223 -42.582 3 H3 ACE 1 H3 ACE 1 -26.394 -12.370 -42.363 4 HA PRO 2 HA PRO 2 -26.750 -9.424 -46.201 5 HB2 PRO 2 HB2 PRO 2 -27.338 -11.831 -47.670 6 HB3 PRO 2 HB3 PRO 2 -25.963 -10.734 -47.870 7 HG2 PRO 2 HG2 PRO 2 -26.108 -13.305 -46.493 8 HG3 PRO 2 HG3 PRO 2 -24.697 -12.416 -47.082 9 HD2 PRO 2 HD2 PRO 2 -25.286 -12.695 -44.422 10 HD3 PRO 2 HD3 PRO 2 -24.396 -11.303 -45.080 11 H THR 3 H THR 3 -28.735 -9.210 -47.508 12 HA THR 3 HA THR 3 -31.087 -9.904 -45.928 13 HB THR 3 HB THR 3 -32.269 -8.382 -47.474 14 HG1 THR 3 HG1 THR 3 -30.832 -8.910 -49.263 15 HG21 THR 3 HG21 THR 3 -31.529 -7.047 -45.780 16 HG22 THR 3 HG22 THR 3 -30.464 -6.402 -47.029 17 HG23 THR 3 HG23 THR 3 -29.870 -7.630 -45.911 18 H THR 4 H THR 4 -29.362 -11.529 -48.127 19 HA THR 4 HA THR 4 -31.671 -13.099 -48.975 20 HB THR 4 HB THR 4 -30.215 -12.972 -51.328 21 HG1 THR 4 HG1 THR 4 -30.556 -10.365 -50.269 22 HG21 THR 4 HG21 THR 4 -32.692 -11.458 -50.460 23 HG22 THR 4 HG22 THR 4 -32.641 -13.068 -51.178 24 HG23 THR 4 HG23 THR 4 -32.184 -11.660 -52.137 25 H THR 5 H THR 5 -30.634 -14.904 -50.586 26 HA THR 5 HA THR 5 -28.038 -15.794 -49.576 27 HB THR 5 HB THR 5 -29.025 -18.072 -49.068 28 HG21 THR 5 HG21 THR 5 -28.604 -15.982 -47.439 29 HG22 THR 5 HG22 THR 5 -29.301 -17.494 -46.856 30 HG23 THR 5 HG23 THR 5 -30.349 -16.128 -47.237 31 HA PRO 6 HA PRO 6 -27.190 -17.321 -53.576 32 HB2 PRO 6 HB2 PRO 6 -26.765 -20.066 -52.812 33 HB3 PRO 6 HB3 PRO 6 -25.551 -18.827 -53.163 34 HG2 PRO 6 HG2 PRO 6 -26.517 -19.807 -50.588 35 HG3 PRO 6 HG3 PRO 6 -25.036 -18.920 -50.977 36 HD2 PRO 6 HD2 PRO 6 -27.131 -17.807 -49.605 37 HD3 PRO 6 HD3 PRO 6 -26.018 -16.859 -50.619 38 H LEU 7 H LEU 7 -28.821 -17.523 -54.998 39 HA LEU 7 HA LEU 7 -31.212 -18.996 -54.437 40 HB2 LEU 7 HB2 LEU 7 -31.283 -17.008 -55.847 41 HB3 LEU 7 HB3 LEU 7 -30.196 -17.766 -57.011 42 HG LEU 7 HG LEU 7 -32.535 -19.417 -56.365 43 HD11 LEU 7 HD11 LEU 7 -34.006 -17.952 -57.875 44 HD12 LEU 7 HD12 LEU 7 -32.858 -16.654 -57.547 45 HD13 LEU 7 HD13 LEU 7 -33.764 -17.384 -56.223 46 HD21 LEU 7 HD21 LEU 7 -32.487 -19.819 -58.719 47 HD22 LEU 7 HD22 LEU 7 -30.798 -19.673 -58.237 48 HD23 LEU 7 HD23 LEU 7 -31.607 -18.322 -59.030 49 H LYS 8 H LYS 8 -31.889 -20.958 -55.216 50 HA LYS 8 HA LYS 8 -29.826 -22.820 -55.994 51 HB2 LYS 8 HB2 LYS 8 -32.792 -23.067 -55.499 52 HB3 LYS 8 HB3 LYS 8 -31.823 -24.419 -56.088 53 HG2 LYS 8 HG2 LYS 8 -30.706 -24.666 -54.099 54 HG3 LYS 8 HG3 LYS 8 -30.752 -22.940 -53.739 55 HD2 LYS 8 HD2 LYS 8 -32.198 -24.227 -52.192 56 HD3 LYS 8 HD3 LYS 8 -33.138 -23.102 -53.174 57 HE2 LYS 8 HE2 LYS 8 -34.220 -24.774 -54.274 58 HE3 LYS 8 HE3 LYS 8 -32.767 -25.769 -54.385 59 HZ1 LYS 8 HZ1 LYS 8 -33.047 -26.470 -52.141 60 HZ2 LYS 8 HZ2 LYS 8 -34.528 -26.704 -52.938 61 HZ3 LYS 8 HZ3 LYS 8 -34.324 -25.383 -51.889 62 HN1 NH2 9 HN1 NH2 9 -32.209 -23.985 -58.434 63 HN2 NH2 9 HN2 NH2 9 -32.961 -22.470 -58.298 64 H1 A2G 10 H1 A2G 10 -30.451 -18.620 -50.782 65 H2 A2G 10 H2 A2G 10 -32.663 -19.718 -50.800 66 HN2 A2G 10 HN2 A2G 10 -32.925 -16.772 -50.930 67 H3 A2G 10 H3 A2G 10 -33.399 -17.721 -48.645 68 HO3 A2G 10 HO3 A2G 10 -35.045 -19.761 -48.837 69 H4 A2G 10 H4 A2G 10 -33.420 -19.576 -47.097 70 HO4 A2G 10 HO4 A2G 10 -33.573 -20.983 -49.343 71 H5 A2G 10 H5 A2G 10 -31.232 -18.492 -47.443 72 H6 A2G 10 H6 A2G 10 -30.791 -21.481 -47.292 73 H8 A2G 10 H8 A2G 10 -33.022 -16.621 -54.135 74 H8A A2G 10 H8A A2G 10 -34.701 -17.005 -53.754 75 H8B A2G 10 H8B A2G 10 -33.788 -15.909 -52.715 76 H14 A2G 10 H14 A2G 10 -29.883 -20.207 -46.478 77 H15 A2G 10 H15 A2G 10 -32.195 -21.443 -45.749 Start of MODEL 34 1 H1 ACE 1 H1 ACE 1 -25.487 -12.248 -46.969 2 H2 ACE 1 H2 ACE 1 -26.677 -12.809 -48.145 3 H3 ACE 1 H3 ACE 1 -26.336 -13.772 -46.707 4 HA PRO 2 HA PRO 2 -28.816 -9.951 -45.182 5 HB2 PRO 2 HB2 PRO 2 -29.831 -8.493 -47.451 6 HB3 PRO 2 HB3 PRO 2 -28.683 -7.945 -46.222 7 HG2 PRO 2 HG2 PRO 2 -28.091 -8.407 -48.880 8 HG3 PRO 2 HG3 PRO 2 -26.914 -8.308 -47.562 9 HD2 PRO 2 HD2 PRO 2 -27.985 -10.719 -48.953 10 HD3 PRO 2 HD3 PRO 2 -26.397 -10.462 -48.194 11 H THR 3 H THR 3 -30.035 -10.962 -48.382 12 HA THR 3 HA THR 3 -32.347 -12.212 -47.121 13 HB THR 3 HB THR 3 -33.392 -10.728 -49.313 14 HG1 THR 3 HG1 THR 3 -32.759 -8.734 -48.924 15 HG21 THR 3 HG21 THR 3 -33.763 -10.516 -46.313 16 HG22 THR 3 HG22 THR 3 -34.688 -11.539 -47.412 17 HG23 THR 3 HG23 THR 3 -34.830 -9.784 -47.510 18 H THR 4 H THR 4 -29.886 -12.714 -48.930 19 HA THR 4 HA THR 4 -31.263 -14.600 -50.680 20 HB THR 4 HB THR 4 -29.774 -13.817 -52.616 21 HG1 THR 4 HG1 THR 4 -29.725 -11.521 -50.953 22 HG21 THR 4 HG21 THR 4 -31.423 -12.183 -53.329 23 HG22 THR 4 HG22 THR 4 -31.934 -11.919 -51.661 24 HG23 THR 4 HG23 THR 4 -32.248 -13.468 -52.445 25 H THR 5 H THR 5 -30.030 -16.388 -51.185 26 HA THR 5 HA THR 5 -27.191 -16.419 -50.499 27 HB THR 5 HB THR 5 -27.855 -18.707 -49.255 28 HG21 THR 5 HG21 THR 5 -27.536 -17.525 -47.172 29 HG22 THR 5 HG22 THR 5 -28.054 -16.004 -47.901 30 HG23 THR 5 HG23 THR 5 -26.528 -16.741 -48.388 31 HA PRO 6 HA PRO 6 -26.556 -19.095 -53.881 32 HB2 PRO 6 HB2 PRO 6 -25.492 -21.323 -52.398 33 HB3 PRO 6 HB3 PRO 6 -24.608 -20.110 -53.336 34 HG2 PRO 6 HG2 PRO 6 -25.021 -20.295 -50.451 35 HG3 PRO 6 HG3 PRO 6 -23.813 -19.379 -51.364 36 HD2 PRO 6 HD2 PRO 6 -25.899 -18.199 -50.038 37 HD3 PRO 6 HD3 PRO 6 -25.138 -17.492 -51.482 38 H LEU 7 H LEU 7 -29.054 -19.229 -53.703 39 HA LEU 7 HA LEU 7 -29.809 -21.960 -54.076 40 HB2 LEU 7 HB2 LEU 7 -29.860 -21.228 -51.437 41 HB3 LEU 7 HB3 LEU 7 -31.508 -20.853 -51.943 42 HG LEU 7 HG LEU 7 -30.126 -23.500 -52.470 43 HD11 LEU 7 HD11 LEU 7 -30.481 -23.754 -50.224 44 HD12 LEU 7 HD12 LEU 7 -32.140 -24.063 -50.741 45 HD13 LEU 7 HD13 LEU 7 -31.679 -22.462 -50.164 46 HD21 LEU 7 HD21 LEU 7 -31.870 -23.009 -54.090 47 HD22 LEU 7 HD22 LEU 7 -32.977 -22.518 -52.808 48 HD23 LEU 7 HD23 LEU 7 -32.491 -24.207 -52.956 49 H LYS 8 H LYS 8 -29.907 -19.212 -55.290 50 HA LYS 8 HA LYS 8 -32.705 -18.515 -55.417 51 HB2 LYS 8 HB2 LYS 8 -30.749 -16.906 -55.699 52 HB3 LYS 8 HB3 LYS 8 -30.531 -17.606 -57.303 53 HG2 LYS 8 HG2 LYS 8 -31.978 -15.906 -57.863 54 HG3 LYS 8 HG3 LYS 8 -33.167 -17.137 -57.432 55 HD2 LYS 8 HD2 LYS 8 -32.866 -16.160 -55.005 56 HD3 LYS 8 HD3 LYS 8 -32.275 -14.738 -55.866 57 HE2 LYS 8 HE2 LYS 8 -34.366 -14.716 -57.213 58 HE3 LYS 8 HE3 LYS 8 -34.961 -16.087 -56.276 59 HZ1 LYS 8 HZ1 LYS 8 -34.634 -13.295 -55.488 60 HZ2 LYS 8 HZ2 LYS 8 -34.327 -14.474 -54.304 61 HZ3 LYS 8 HZ3 LYS 8 -35.844 -14.407 -55.067 62 HN1 NH2 9 HN1 NH2 9 -31.133 -20.888 -58.193 63 HN2 NH2 9 HN2 NH2 9 -30.947 -19.269 -58.671 64 H1 A2G 10 H1 A2G 10 -29.848 -19.227 -50.293 65 H2 A2G 10 H2 A2G 10 -32.055 -19.965 -49.467 66 HN2 A2G 10 HN2 A2G 10 -31.999 -17.034 -49.874 67 H3 A2G 10 H3 A2G 10 -31.786 -17.710 -47.464 68 HO3 A2G 10 HO3 A2G 10 -33.759 -18.319 -46.856 69 H4 A2G 10 H4 A2G 10 -31.513 -19.407 -45.766 70 HO4 A2G 10 HO4 A2G 10 -31.703 -21.255 -47.909 71 H5 A2G 10 H5 A2G 10 -29.451 -18.708 -46.925 72 H6 A2G 10 H6 A2G 10 -29.554 -21.689 -46.359 73 H8 A2G 10 H8 A2G 10 -33.190 -17.362 -53.013 74 H8A A2G 10 H8A A2G 10 -34.473 -16.987 -51.863 75 H8B A2G 10 H8B A2G 10 -32.887 -16.236 -51.689 76 H14 A2G 10 H14 A2G 10 -28.085 -20.715 -46.431 77 H15 A2G 10 H15 A2G 10 -29.370 -19.379 -44.793 Start of MODEL 35 1 H1 ACE 1 H1 ACE 1 -27.481 -10.741 -50.256 2 H2 ACE 1 H2 ACE 1 -26.847 -12.383 -50.352 3 H3 ACE 1 H3 ACE 1 -25.739 -11.014 -50.246 4 HA PRO 2 HA PRO 2 -26.082 -10.925 -45.839 5 HB2 PRO 2 HB2 PRO 2 -27.455 -8.432 -45.388 6 HB3 PRO 2 HB3 PRO 2 -25.716 -8.750 -45.329 7 HG2 PRO 2 HG2 PRO 2 -27.003 -7.208 -47.225 8 HG3 PRO 2 HG3 PRO 2 -25.387 -7.910 -47.389 9 HD2 PRO 2 HD2 PRO 2 -27.964 -8.819 -48.582 10 HD3 PRO 2 HD3 PRO 2 -26.307 -8.981 -49.208 11 H THR 3 H THR 3 -29.178 -9.458 -46.870 12 HA THR 3 HA THR 3 -30.587 -10.816 -44.706 13 HB THR 3 HB THR 3 -31.284 -8.565 -45.071 14 HG1 THR 3 HG1 THR 3 -33.303 -9.101 -45.010 15 HG21 THR 3 HG21 THR 3 -30.582 -7.906 -47.174 16 HG22 THR 3 HG22 THR 3 -32.305 -8.126 -47.483 17 HG23 THR 3 HG23 THR 3 -31.159 -9.385 -47.944 18 H THR 4 H THR 4 -29.424 -11.958 -47.424 19 HA THR 4 HA THR 4 -31.590 -13.886 -47.748 20 HB THR 4 HB THR 4 -30.769 -13.256 -50.390 21 HG1 THR 4 HG1 THR 4 -30.297 -11.210 -50.005 22 HG21 THR 4 HG21 THR 4 -33.359 -12.682 -48.923 23 HG22 THR 4 HG22 THR 4 -32.930 -14.223 -49.666 24 HG23 THR 4 HG23 THR 4 -33.163 -12.793 -50.672 25 H THR 5 H THR 5 -30.745 -15.335 -49.826 26 HA THR 5 HA THR 5 -27.870 -15.814 -49.575 27 HB THR 5 HB THR 5 -28.287 -18.251 -49.121 28 HG21 THR 5 HG21 THR 5 -29.526 -16.728 -46.865 29 HG22 THR 5 HG22 THR 5 -27.894 -16.286 -47.368 30 HG23 THR 5 HG23 THR 5 -28.236 -17.930 -46.829 31 HA PRO 6 HA PRO 6 -27.823 -16.801 -53.823 32 HB2 PRO 6 HB2 PRO 6 -26.802 -19.480 -53.546 33 HB3 PRO 6 HB3 PRO 6 -25.921 -18.015 -54.003 34 HG2 PRO 6 HG2 PRO 6 -26.050 -19.382 -51.426 35 HG3 PRO 6 HG3 PRO 6 -24.867 -18.210 -52.026 36 HD2 PRO 6 HD2 PRO 6 -26.699 -17.624 -50.074 37 HD3 PRO 6 HD3 PRO 6 -26.036 -16.403 -51.182 38 H LEU 7 H LEU 7 -29.469 -17.395 -55.113 39 HA LEU 7 HA LEU 7 -31.585 -19.069 -54.160 40 HB2 LEU 7 HB2 LEU 7 -31.132 -18.125 -56.996 41 HB3 LEU 7 HB3 LEU 7 -32.659 -18.602 -56.255 42 HG LEU 7 HG LEU 7 -31.765 -16.648 -54.531 43 HD11 LEU 7 HD11 LEU 7 -30.877 -14.831 -55.768 44 HD12 LEU 7 HD12 LEU 7 -31.266 -15.585 -57.314 45 HD13 LEU 7 HD13 LEU 7 -29.956 -16.230 -56.324 46 HD21 LEU 7 HD21 LEU 7 -34.051 -16.930 -55.444 47 HD22 LEU 7 HD22 LEU 7 -33.502 -16.303 -56.998 48 HD23 LEU 7 HD23 LEU 7 -33.512 -15.255 -55.579 49 H LYS 8 H LYS 8 -32.450 -20.769 -55.864 50 HA LYS 8 HA LYS 8 -30.463 -22.862 -55.935 51 HB2 LYS 8 HB2 LYS 8 -33.325 -22.793 -56.923 52 HB3 LYS 8 HB3 LYS 8 -32.314 -24.237 -56.840 53 HG2 LYS 8 HG2 LYS 8 -32.442 -24.364 -54.552 54 HG3 LYS 8 HG3 LYS 8 -32.519 -22.612 -54.355 55 HD2 LYS 8 HD2 LYS 8 -34.815 -24.072 -55.635 56 HD3 LYS 8 HD3 LYS 8 -34.662 -24.045 -53.878 57 HE2 LYS 8 HE2 LYS 8 -34.330 -21.443 -55.285 58 HE3 LYS 8 HE3 LYS 8 -35.959 -22.118 -55.241 59 HZ1 LYS 8 HZ1 LYS 8 -36.066 -21.222 -53.220 60 HZ2 LYS 8 HZ2 LYS 8 -34.386 -20.989 -53.120 61 HZ3 LYS 8 HZ3 LYS 8 -35.064 -22.494 -52.715 62 HN1 NH2 9 HN1 NH2 9 -31.611 -22.135 -59.779 63 HN2 NH2 9 HN2 NH2 9 -32.375 -23.253 -58.756 64 H1 A2G 10 H1 A2G 10 -29.886 -18.985 -50.552 65 H2 A2G 10 H2 A2G 10 -31.826 -20.492 -50.303 66 HN2 A2G 10 HN2 A2G 10 -32.521 -17.618 -50.151 67 H3 A2G 10 H3 A2G 10 -32.492 -18.829 -47.861 68 HO3 A2G 10 HO3 A2G 10 -33.711 -21.193 -48.067 69 H4 A2G 10 H4 A2G 10 -31.885 -20.753 -46.532 70 HO4 A2G 10 HO4 A2G 10 -30.706 -22.267 -48.399 71 H5 A2G 10 H5 A2G 10 -30.034 -19.239 -47.135 72 H6 A2G 10 H6 A2G 10 -29.270 -22.177 -47.217 73 H8 A2G 10 H8 A2G 10 -33.527 -17.550 -53.272 74 H8A A2G 10 H8A A2G 10 -34.969 -17.886 -52.316 75 H8B A2G 10 H8B A2G 10 -33.748 -16.770 -51.707 76 H14 A2G 10 H14 A2G 10 -28.167 -20.852 -46.845 77 H15 A2G 10 H15 A2G 10 -29.133 -21.930 -44.996 Start of MODEL 36 1 H1 ACE 1 H1 ACE 1 -26.734 -7.666 -42.376 2 H2 ACE 1 H2 ACE 1 -27.195 -8.954 -41.264 3 H3 ACE 1 H3 ACE 1 -28.430 -7.898 -41.951 4 HA PRO 2 HA PRO 2 -28.123 -11.679 -44.620 5 HB2 PRO 2 HB2 PRO 2 -30.981 -11.972 -44.390 6 HB3 PRO 2 HB3 PRO 2 -29.716 -13.040 -43.763 7 HG2 PRO 2 HG2 PRO 2 -31.416 -11.492 -42.233 8 HG3 PRO 2 HG3 PRO 2 -29.886 -12.193 -41.686 9 HD2 PRO 2 HD2 PRO 2 -30.493 -9.381 -42.474 10 HD3 PRO 2 HD3 PRO 2 -29.300 -9.998 -41.308 11 H THR 3 H THR 3 -27.758 -10.699 -46.569 12 HA THR 3 HA THR 3 -29.762 -8.925 -47.731 13 HB THR 3 HB THR 3 -28.087 -8.670 -49.554 14 HG1 THR 3 HG1 THR 3 -26.075 -9.863 -48.200 15 HG21 THR 3 HG21 THR 3 -26.185 -7.952 -47.763 16 HG22 THR 3 HG22 THR 3 -27.570 -8.128 -46.686 17 HG23 THR 3 HG23 THR 3 -27.648 -7.011 -48.047 18 H THR 4 H THR 4 -27.972 -11.792 -48.896 19 HA THR 4 HA THR 4 -30.440 -12.904 -49.987 20 HB THR 4 HB THR 4 -28.762 -13.224 -52.146 21 HG1 THR 4 HG1 THR 4 -28.633 -10.500 -51.747 22 HG21 THR 4 HG21 THR 4 -30.240 -11.501 -53.207 23 HG22 THR 4 HG22 THR 4 -30.863 -11.109 -51.604 24 HG23 THR 4 HG23 THR 4 -31.131 -12.713 -52.286 25 H THR 5 H THR 5 -29.908 -15.062 -51.112 26 HA THR 5 HA THR 5 -27.526 -16.378 -50.044 27 HB THR 5 HB THR 5 -29.011 -18.262 -49.167 28 HG21 THR 5 HG21 THR 5 -27.913 -16.147 -47.906 29 HG22 THR 5 HG22 THR 5 -28.876 -17.359 -47.060 30 HG23 THR 5 HG23 THR 5 -29.613 -15.835 -47.556 31 HA PRO 6 HA PRO 6 -27.328 -18.662 -53.759 32 HB2 PRO 6 HB2 PRO 6 -27.494 -21.276 -52.562 33 HB3 PRO 6 HB3 PRO 6 -26.055 -20.433 -53.152 34 HG2 PRO 6 HG2 PRO 6 -27.040 -20.744 -50.422 35 HG3 PRO 6 HG3 PRO 6 -25.426 -20.306 -50.997 36 HD2 PRO 6 HD2 PRO 6 -27.109 -18.529 -49.767 37 HD3 PRO 6 HD3 PRO 6 -25.881 -18.041 -50.958 38 H LEU 7 H LEU 7 -29.236 -18.337 -54.843 39 HA LEU 7 HA LEU 7 -31.743 -19.428 -53.987 40 HB2 LEU 7 HB2 LEU 7 -32.615 -18.552 -56.074 41 HB3 LEU 7 HB3 LEU 7 -31.522 -17.360 -55.369 42 HG LEU 7 HG LEU 7 -29.824 -18.924 -56.897 43 HD11 LEU 7 HD11 LEU 7 -31.768 -20.050 -57.926 44 HD12 LEU 7 HD12 LEU 7 -30.906 -19.068 -59.109 45 HD13 LEU 7 HD13 LEU 7 -32.416 -18.483 -58.412 46 HD21 LEU 7 HD21 LEU 7 -29.811 -16.465 -56.708 47 HD22 LEU 7 HD22 LEU 7 -31.286 -16.378 -57.672 48 HD23 LEU 7 HD23 LEU 7 -29.788 -16.956 -58.402 49 H LYS 8 H LYS 8 -33.050 -20.718 -55.716 50 HA LYS 8 HA LYS 8 -31.532 -22.656 -57.231 51 HB2 LYS 8 HB2 LYS 8 -32.930 -23.432 -54.670 52 HB3 LYS 8 HB3 LYS 8 -32.562 -24.595 -55.944 53 HG2 LYS 8 HG2 LYS 8 -30.144 -23.661 -55.804 54 HG3 LYS 8 HG3 LYS 8 -30.648 -23.001 -54.247 55 HD2 LYS 8 HD2 LYS 8 -29.685 -25.159 -53.804 56 HD3 LYS 8 HD3 LYS 8 -31.432 -25.334 -53.630 57 HE2 LYS 8 HE2 LYS 8 -30.603 -25.764 -56.384 58 HE3 LYS 8 HE3 LYS 8 -29.764 -26.860 -55.286 59 HZ1 LYS 8 HZ1 LYS 8 -32.666 -26.439 -55.023 60 HZ2 LYS 8 HZ2 LYS 8 -31.730 -27.776 -54.553 61 HZ3 LYS 8 HZ3 LYS 8 -32.070 -27.510 -56.196 62 HN1 NH2 9 HN1 NH2 9 -34.508 -23.827 -58.657 63 HN2 NH2 9 HN2 NH2 9 -33.807 -24.631 -57.336 64 H1 A2G 10 H1 A2G 10 -30.695 -18.604 -50.702 65 H2 A2G 10 H2 A2G 10 -33.105 -19.057 -50.412 66 HN2 A2G 10 HN2 A2G 10 -32.487 -16.223 -51.006 67 H3 A2G 10 H3 A2G 10 -33.073 -16.688 -48.526 68 HO3 A2G 10 HO3 A2G 10 -35.127 -18.565 -48.801 69 H4 A2G 10 H4 A2G 10 -33.414 -18.266 -46.729 70 HO4 A2G 10 HO4 A2G 10 -33.088 -20.386 -48.550 71 H5 A2G 10 H5 A2G 10 -31.066 -17.866 -47.373 72 H6 A2G 10 H6 A2G 10 -31.646 -20.768 -46.695 73 H8 A2G 10 H8 A2G 10 -32.615 -16.161 -53.690 74 H8A A2G 10 H8A A2G 10 -34.285 -16.582 -54.072 75 H8B A2G 10 H8B A2G 10 -33.941 -15.369 -52.839 76 H14 A2G 10 H14 A2G 10 -30.100 -19.955 -46.453 77 H15 A2G 10 H15 A2G 10 -32.170 -18.556 -45.399 Start of MODEL 37 1 H1 ACE 1 H1 ACE 1 -28.064 -9.631 -50.492 2 H2 ACE 1 H2 ACE 1 -26.904 -10.952 -50.638 3 H3 ACE 1 H3 ACE 1 -26.442 -9.459 -49.820 4 HA PRO 2 HA PRO 2 -27.584 -10.727 -45.790 5 HB2 PRO 2 HB2 PRO 2 -29.893 -9.044 -45.427 6 HB3 PRO 2 HB3 PRO 2 -28.257 -8.810 -44.793 7 HG2 PRO 2 HG2 PRO 2 -29.556 -7.569 -47.095 8 HG3 PRO 2 HG3 PRO 2 -28.127 -7.053 -46.190 9 HD2 PRO 2 HD2 PRO 2 -28.004 -8.053 -48.737 10 HD3 PRO 2 HD3 PRO 2 -26.673 -8.207 -47.567 11 H THR 3 H THR 3 -30.645 -9.981 -47.487 12 HA THR 3 HA THR 3 -31.880 -12.372 -46.364 13 HB THR 3 HB THR 3 -33.370 -10.794 -48.361 14 HG1 THR 3 HG1 THR 3 -33.555 -9.023 -47.017 15 HG21 THR 3 HG21 THR 3 -34.350 -12.550 -46.895 16 HG22 THR 3 HG22 THR 3 -35.108 -10.976 -46.657 17 HG23 THR 3 HG23 THR 3 -33.932 -11.573 -45.487 18 H THR 4 H THR 4 -29.697 -12.712 -48.248 19 HA THR 4 HA THR 4 -31.068 -14.468 -50.132 20 HB THR 4 HB THR 4 -29.190 -13.333 -51.795 21 HG1 THR 4 HG1 THR 4 -30.544 -11.112 -50.868 22 HG21 THR 4 HG21 THR 4 -31.187 -12.264 -52.871 23 HG22 THR 4 HG22 THR 4 -32.131 -12.699 -51.447 24 HG23 THR 4 HG23 THR 4 -31.434 -13.962 -52.462 25 H THR 5 H THR 5 -29.763 -16.147 -50.902 26 HA THR 5 HA THR 5 -26.957 -16.236 -50.094 27 HB THR 5 HB THR 5 -27.607 -18.674 -49.199 28 HG21 THR 5 HG21 THR 5 -27.989 -16.185 -47.516 29 HG22 THR 5 HG22 THR 5 -26.412 -16.810 -47.994 30 HG23 THR 5 HG23 THR 5 -27.465 -17.773 -46.959 31 HA PRO 6 HA PRO 6 -26.114 -18.426 -53.771 32 HB2 PRO 6 HB2 PRO 6 -25.099 -20.830 -52.551 33 HB3 PRO 6 HB3 PRO 6 -24.184 -19.495 -53.268 34 HG2 PRO 6 HG2 PRO 6 -24.740 -20.072 -50.460 35 HG3 PRO 6 HG3 PRO 6 -23.498 -19.036 -51.177 36 HD2 PRO 6 HD2 PRO 6 -25.660 -18.054 -49.814 37 HD3 PRO 6 HD3 PRO 6 -24.838 -17.155 -51.109 38 H LEU 7 H LEU 7 -28.587 -18.606 -53.823 39 HA LEU 7 HA LEU 7 -29.289 -21.289 -54.523 40 HB2 LEU 7 HB2 LEU 7 -29.488 -21.136 -51.929 41 HB3 LEU 7 HB3 LEU 7 -30.944 -20.198 -52.267 42 HG LEU 7 HG LEU 7 -31.412 -22.226 -53.940 43 HD11 LEU 7 HD11 LEU 7 -29.171 -23.247 -53.238 44 HD12 LEU 7 HD12 LEU 7 -30.570 -24.318 -53.160 45 HD13 LEU 7 HD13 LEU 7 -29.932 -23.593 -51.685 46 HD21 LEU 7 HD21 LEU 7 -31.876 -22.094 -50.954 47 HD22 LEU 7 HD22 LEU 7 -32.596 -23.353 -51.956 48 HD23 LEU 7 HD23 LEU 7 -32.993 -21.659 -52.247 49 H LYS 8 H LYS 8 -32.163 -20.531 -53.706 50 HA LYS 8 HA LYS 8 -32.780 -18.232 -55.334 51 HB2 LYS 8 HB2 LYS 8 -32.509 -20.684 -56.667 52 HB3 LYS 8 HB3 LYS 8 -34.247 -20.445 -56.484 53 HG2 LYS 8 HG2 LYS 8 -32.304 -18.417 -57.630 54 HG3 LYS 8 HG3 LYS 8 -33.429 -19.401 -58.566 55 HD2 LYS 8 HD2 LYS 8 -35.033 -18.238 -56.606 56 HD3 LYS 8 HD3 LYS 8 -33.927 -16.945 -57.072 57 HE2 LYS 8 HE2 LYS 8 -35.623 -18.597 -58.968 58 HE3 LYS 8 HE3 LYS 8 -35.918 -16.919 -58.512 59 HZ1 LYS 8 HZ1 LYS 8 -34.551 -16.294 -60.115 60 HZ2 LYS 8 HZ2 LYS 8 -34.228 -17.912 -60.521 61 HZ3 LYS 8 HZ3 LYS 8 -33.271 -17.116 -59.363 62 HN1 NH2 9 HN1 NH2 9 -34.632 -17.424 -53.753 63 HN2 NH2 9 HN2 NH2 9 -35.970 -18.193 -54.462 64 H1 A2G 10 H1 A2G 10 -29.493 -19.168 -50.376 65 H2 A2G 10 H2 A2G 10 -31.721 -20.063 -49.801 66 HN2 A2G 10 HN2 A2G 10 -31.679 -17.106 -49.957 67 H3 A2G 10 H3 A2G 10 -31.693 -18.017 -47.566 68 HO3 A2G 10 HO3 A2G 10 -33.705 -18.666 -48.612 69 H4 A2G 10 H4 A2G 10 -31.473 -19.871 -46.032 70 HO4 A2G 10 HO4 A2G 10 -30.909 -21.851 -47.736 71 H5 A2G 10 H5 A2G 10 -29.363 -18.985 -46.954 72 H6 A2G 10 H6 A2G 10 -29.345 -22.013 -46.730 73 H8 A2G 10 H8 A2G 10 -32.820 -17.085 -53.035 74 H8A A2G 10 H8A A2G 10 -34.245 -17.007 -51.997 75 H8B A2G 10 H8B A2G 10 -32.776 -16.142 -51.544 76 H14 A2G 10 H14 A2G 10 -27.950 -20.954 -46.524 77 H15 A2G 10 H15 A2G 10 -28.560 -20.628 -44.561 Start of MODEL 38 1 H1 ACE 1 H1 ACE 1 -32.323 -7.293 -44.412 2 H2 ACE 1 H2 ACE 1 -33.503 -7.347 -45.721 3 H3 ACE 1 H3 ACE 1 -32.151 -6.218 -45.798 4 HA PRO 2 HA PRO 2 -29.408 -8.863 -47.951 5 HB2 PRO 2 HB2 PRO 2 -27.559 -9.440 -45.818 6 HB3 PRO 2 HB3 PRO 2 -27.366 -8.295 -47.155 7 HG2 PRO 2 HG2 PRO 2 -28.118 -7.802 -44.377 8 HG3 PRO 2 HG3 PRO 2 -27.499 -6.680 -45.597 9 HD2 PRO 2 HD2 PRO 2 -30.086 -6.635 -44.698 10 HD3 PRO 2 HD3 PRO 2 -29.613 -6.097 -46.325 11 H THR 3 H THR 3 -30.201 -10.832 -48.445 12 HA THR 3 HA THR 3 -29.818 -13.025 -46.564 13 HB THR 3 HB THR 3 -32.070 -12.234 -46.001 14 HG1 THR 3 HG1 THR 3 -33.146 -14.267 -46.962 15 HG21 THR 3 HG21 THR 3 -33.563 -11.549 -47.551 16 HG22 THR 3 HG22 THR 3 -33.293 -12.976 -48.552 17 HG23 THR 3 HG23 THR 3 -32.219 -11.586 -48.692 18 H THR 4 H THR 4 -28.613 -12.295 -49.071 19 HA THR 4 HA THR 4 -29.744 -14.137 -51.038 20 HB THR 4 HB THR 4 -27.582 -13.284 -52.291 21 HG1 THR 4 HG1 THR 4 -26.537 -11.867 -51.182 22 HG21 THR 4 HG21 THR 4 -28.888 -11.343 -53.079 23 HG22 THR 4 HG22 THR 4 -29.973 -11.518 -51.700 24 HG23 THR 4 HG23 THR 4 -29.903 -12.777 -52.932 25 H THR 5 H THR 5 -28.982 -16.127 -51.444 26 HA THR 5 HA THR 5 -26.297 -16.891 -50.593 27 HB THR 5 HB THR 5 -27.560 -19.031 -49.583 28 HG21 THR 5 HG21 THR 5 -25.899 -17.579 -48.435 29 HG22 THR 5 HG22 THR 5 -27.229 -18.034 -47.371 30 HG23 THR 5 HG23 THR 5 -27.183 -16.422 -48.085 31 HA PRO 6 HA PRO 6 -26.055 -19.413 -54.142 32 HB2 PRO 6 HB2 PRO 6 -25.686 -21.929 -52.789 33 HB3 PRO 6 HB3 PRO 6 -24.462 -20.913 -53.564 34 HG2 PRO 6 HG2 PRO 6 -25.138 -21.181 -50.737 35 HG3 PRO 6 HG3 PRO 6 -23.674 -20.536 -51.492 36 HD2 PRO 6 HD2 PRO 6 -25.510 -18.963 -50.205 37 HD3 PRO 6 HD3 PRO 6 -24.488 -18.374 -51.535 38 H LEU 7 H LEU 7 -28.516 -18.936 -54.133 39 HA LEU 7 HA LEU 7 -29.881 -21.367 -54.768 40 HB2 LEU 7 HB2 LEU 7 -29.986 -21.196 -52.194 41 HB3 LEU 7 HB3 LEU 7 -31.105 -19.861 -52.467 42 HG LEU 7 HG LEU 7 -32.186 -21.659 -54.149 43 HD11 LEU 7 HD11 LEU 7 -30.321 -23.278 -53.334 44 HD12 LEU 7 HD12 LEU 7 -31.974 -23.889 -53.413 45 HD13 LEU 7 HD13 LEU 7 -31.285 -23.407 -51.863 46 HD21 LEU 7 HD21 LEU 7 -32.596 -21.485 -51.147 47 HD22 LEU 7 HD22 LEU 7 -33.728 -22.255 -52.257 48 HD23 LEU 7 HD23 LEU 7 -33.412 -20.524 -52.379 49 H LYS 8 H LYS 8 -32.413 -19.791 -53.809 50 HA LYS 8 HA LYS 8 -32.467 -17.502 -55.563 51 HB2 LYS 8 HB2 LYS 8 -34.091 -18.340 -57.143 52 HB3 LYS 8 HB3 LYS 8 -32.700 -19.424 -57.154 53 HG2 LYS 8 HG2 LYS 8 -34.052 -20.724 -55.311 54 HG3 LYS 8 HG3 LYS 8 -35.436 -19.871 -55.998 55 HD2 LYS 8 HD2 LYS 8 -35.443 -21.730 -57.363 56 HD3 LYS 8 HD3 LYS 8 -34.338 -20.711 -58.286 57 HE2 LYS 8 HE2 LYS 8 -33.158 -22.735 -58.128 58 HE3 LYS 8 HE3 LYS 8 -32.483 -21.787 -56.803 59 HZ1 LYS 8 HZ1 LYS 8 -32.990 -23.841 -55.862 60 HZ2 LYS 8 HZ2 LYS 8 -34.476 -23.966 -56.676 61 HZ3 LYS 8 HZ3 LYS 8 -34.294 -22.857 -55.402 62 HN1 NH2 9 HN1 NH2 9 -34.445 -19.004 -52.689 63 HN2 NH2 9 HN2 NH2 9 -35.395 -19.536 -53.992 64 H1 A2G 10 H1 A2G 10 -29.501 -18.988 -50.809 65 H2 A2G 10 H2 A2G 10 -31.902 -19.209 -50.273 66 HN2 A2G 10 HN2 A2G 10 -31.091 -16.364 -50.384 67 H3 A2G 10 H3 A2G 10 -31.331 -17.243 -48.040 68 HO3 A2G 10 HO3 A2G 10 -33.633 -18.742 -48.119 69 H4 A2G 10 H4 A2G 10 -31.674 -19.073 -46.500 70 HO4 A2G 10 HO4 A2G 10 -33.015 -20.116 -48.409 71 H5 A2G 10 H5 A2G 10 -29.384 -18.830 -47.384 72 H6 A2G 10 H6 A2G 10 -30.056 -21.779 -47.289 73 H8 A2G 10 H8 A2G 10 -31.859 -15.955 -53.481 74 H8A A2G 10 H8A A2G 10 -33.422 -15.742 -52.692 75 H8B A2G 10 H8B A2G 10 -31.956 -15.124 -51.929 76 H14 A2G 10 H14 A2G 10 -28.576 -20.986 -46.749 77 H15 A2G 10 H15 A2G 10 -31.085 -21.122 -45.538 Start of MODEL 39 1 H1 ACE 1 H1 ACE 1 -29.080 -9.573 -51.619 2 H2 ACE 1 H2 ACE 1 -29.535 -7.890 -51.355 3 H3 ACE 1 H3 ACE 1 -30.658 -9.182 -50.934 4 HA PRO 2 HA PRO 2 -28.244 -8.081 -47.131 5 HB2 PRO 2 HB2 PRO 2 -30.744 -7.827 -45.719 6 HB3 PRO 2 HB3 PRO 2 -29.572 -6.560 -46.108 7 HG2 PRO 2 HG2 PRO 2 -32.105 -6.788 -47.184 8 HG3 PRO 2 HG3 PRO 2 -30.776 -5.839 -47.865 9 HD2 PRO 2 HD2 PRO 2 -31.821 -8.497 -48.720 10 HD3 PRO 2 HD3 PRO 2 -31.053 -7.217 -49.688 11 H THR 3 H THR 3 -30.635 -10.386 -47.994 12 HA THR 3 HA THR 3 -29.544 -12.296 -46.082 13 HB THR 3 HB THR 3 -31.390 -11.288 -44.823 14 HG1 THR 3 HG1 THR 3 -31.216 -13.409 -44.404 15 HG21 THR 3 HG21 THR 3 -33.338 -10.696 -45.788 16 HG22 THR 3 HG22 THR 3 -33.550 -12.301 -46.487 17 HG23 THR 3 HG23 THR 3 -32.592 -11.089 -47.337 18 H THR 4 H THR 4 -28.755 -13.150 -48.118 19 HA THR 4 HA THR 4 -30.672 -15.008 -49.295 20 HB THR 4 HB THR 4 -29.122 -13.831 -51.432 21 HG1 THR 4 HG1 THR 4 -30.257 -12.147 -49.603 22 HG21 THR 4 HG21 THR 4 -31.171 -15.227 -51.643 23 HG22 THR 4 HG22 THR 4 -31.332 -13.675 -52.464 24 HG23 THR 4 HG23 THR 4 -32.104 -13.930 -50.900 25 H THR 5 H THR 5 -29.581 -16.612 -50.699 26 HA THR 5 HA THR 5 -26.685 -16.827 -50.381 27 HB THR 5 HB THR 5 -27.270 -19.341 -49.649 28 HG21 THR 5 HG21 THR 5 -27.307 -17.103 -47.615 29 HG22 THR 5 HG22 THR 5 -25.846 -17.552 -48.498 30 HG23 THR 5 HG23 THR 5 -26.629 -18.722 -47.436 31 HA PRO 6 HA PRO 6 -26.508 -18.639 -54.341 32 HB2 PRO 6 HB2 PRO 6 -25.435 -21.193 -53.553 33 HB3 PRO 6 HB3 PRO 6 -24.576 -19.816 -54.260 34 HG2 PRO 6 HG2 PRO 6 -24.727 -20.684 -51.476 35 HG3 PRO 6 HG3 PRO 6 -23.560 -19.614 -52.265 36 HD2 PRO 6 HD2 PRO 6 -25.443 -18.722 -50.485 37 HD3 PRO 6 HD3 PRO 6 -24.784 -17.711 -51.791 38 H LEU 7 H LEU 7 -28.904 -18.761 -54.285 39 HA LEU 7 HA LEU 7 -29.804 -21.405 -54.929 40 HB2 LEU 7 HB2 LEU 7 -29.864 -21.084 -52.292 41 HB3 LEU 7 HB3 LEU 7 -31.366 -20.239 -52.670 42 HG LEU 7 HG LEU 7 -31.872 -22.584 -52.274 43 HD11 LEU 7 HD11 LEU 7 -31.897 -22.230 -55.274 44 HD12 LEU 7 HD12 LEU 7 -32.939 -21.272 -54.222 45 HD13 LEU 7 HD13 LEU 7 -33.096 -23.029 -54.257 46 HD21 LEU 7 HD21 LEU 7 -30.415 -23.625 -54.605 47 HD22 LEU 7 HD22 LEU 7 -30.546 -24.288 -52.976 48 HD23 LEU 7 HD23 LEU 7 -29.353 -23.037 -53.326 49 H LYS 8 H LYS 8 -31.128 -18.315 -53.713 50 HA LYS 8 HA LYS 8 -32.294 -17.703 -56.279 51 HB2 LYS 8 HB2 LYS 8 -33.854 -19.123 -54.293 52 HB3 LYS 8 HB3 LYS 8 -34.558 -17.543 -54.640 53 HG2 LYS 8 HG2 LYS 8 -34.475 -18.041 -57.060 54 HG3 LYS 8 HG3 LYS 8 -33.795 -19.629 -56.705 55 HD2 LYS 8 HD2 LYS 8 -36.009 -20.237 -56.806 56 HD3 LYS 8 HD3 LYS 8 -35.958 -19.744 -55.113 57 HE2 LYS 8 HE2 LYS 8 -37.840 -18.613 -56.023 58 HE3 LYS 8 HE3 LYS 8 -36.569 -17.393 -55.948 59 HZ1 LYS 8 HZ1 LYS 8 -37.377 -17.160 -58.079 60 HZ2 LYS 8 HZ2 LYS 8 -37.628 -18.827 -58.293 61 HZ3 LYS 8 HZ3 LYS 8 -36.053 -18.191 -58.325 62 HN1 NH2 9 HN1 NH2 9 -33.906 -15.034 -54.278 63 HN2 NH2 9 HN2 NH2 9 -33.546 -15.261 -55.921 64 H1 A2G 10 H1 A2G 10 -29.274 -19.852 -50.395 65 H2 A2G 10 H2 A2G 10 -31.399 -20.718 -49.482 66 HN2 A2G 10 HN2 A2G 10 -31.341 -17.765 -49.688 67 H3 A2G 10 H3 A2G 10 -31.017 -18.653 -47.299 68 HO3 A2G 10 HO3 A2G 10 -32.859 -20.784 -47.431 69 H4 A2G 10 H4 A2G 10 -30.588 -20.495 -45.796 70 HO4 A2G 10 HO4 A2G 10 -31.717 -21.887 -47.784 71 H5 A2G 10 H5 A2G 10 -28.631 -19.640 -47.032 72 H6 A2G 10 H6 A2G 10 -28.481 -22.664 -46.915 73 H8 A2G 10 H8 A2G 10 -32.923 -17.644 -52.458 74 H8A A2G 10 H8A A2G 10 -34.273 -17.755 -51.329 75 H8B A2G 10 H8B A2G 10 -32.850 -16.801 -50.911 76 H14 A2G 10 H14 A2G 10 -27.175 -21.509 -46.651 77 H15 A2G 10 H15 A2G 10 -28.946 -20.787 -44.954 Start of MODEL 40 1 H1 ACE 1 H1 ACE 1 -26.067 -5.265 -44.061 2 H2 ACE 1 H2 ACE 1 -25.483 -5.101 -45.717 3 H3 ACE 1 H3 ACE 1 -24.911 -6.429 -44.706 4 HA PRO 2 HA PRO 2 -28.668 -7.433 -47.605 5 HB2 PRO 2 HB2 PRO 2 -27.145 -9.762 -48.345 6 HB3 PRO 2 HB3 PRO 2 -27.645 -8.410 -49.373 7 HG2 PRO 2 HG2 PRO 2 -25.060 -8.940 -48.121 8 HG3 PRO 2 HG3 PRO 2 -25.464 -7.875 -49.475 9 HD2 PRO 2 HD2 PRO 2 -24.744 -6.942 -47.003 10 HD3 PRO 2 HD3 PRO 2 -25.812 -6.047 -48.106 11 H THR 3 H THR 3 -29.845 -9.577 -47.529 12 HA THR 3 HA THR 3 -29.208 -11.289 -45.256 13 HB THR 3 HB THR 3 -31.899 -9.922 -45.369 14 HG1 THR 3 HG1 THR 3 -29.491 -9.042 -44.451 15 HG21 THR 3 HG21 THR 3 -31.787 -12.102 -44.219 16 HG22 THR 3 HG22 THR 3 -32.070 -10.792 -43.072 17 HG23 THR 3 HG23 THR 3 -30.464 -11.505 -43.219 18 H THR 4 H THR 4 -28.954 -12.464 -47.444 19 HA THR 4 HA THR 4 -31.360 -14.068 -47.818 20 HB THR 4 HB THR 4 -30.350 -13.579 -50.437 21 HG1 THR 4 HG1 THR 4 -29.614 -11.604 -49.787 22 HG21 THR 4 HG21 THR 4 -32.673 -12.823 -50.808 23 HG22 THR 4 HG22 THR 4 -32.926 -12.760 -49.065 24 HG23 THR 4 HG23 THR 4 -32.627 -14.306 -49.858 25 H THR 5 H THR 5 -30.663 -15.644 -49.860 26 HA THR 5 HA THR 5 -27.903 -16.532 -49.506 27 HB THR 5 HB THR 5 -28.707 -18.889 -49.063 28 HG21 THR 5 HG21 THR 5 -28.563 -18.551 -46.786 29 HG22 THR 5 HG22 THR 5 -29.693 -17.201 -46.815 30 HG23 THR 5 HG23 THR 5 -28.025 -16.961 -47.331 31 HA PRO 6 HA PRO 6 -28.036 -17.495 -53.782 32 HB2 PRO 6 HB2 PRO 6 -27.127 -20.214 -53.587 33 HB3 PRO 6 HB3 PRO 6 -26.199 -18.779 -54.046 34 HG2 PRO 6 HG2 PRO 6 -26.210 -20.234 -51.547 35 HG3 PRO 6 HG3 PRO 6 -25.096 -18.986 -52.116 36 HD2 PRO 6 HD2 PRO 6 -26.968 -18.659 -50.078 37 HD3 PRO 6 HD3 PRO 6 -26.176 -17.341 -50.971 38 H LEU 7 H LEU 7 -30.162 -17.611 -54.412 39 HA LEU 7 HA LEU 7 -31.929 -19.711 -53.596 40 HB2 LEU 7 HB2 LEU 7 -33.562 -18.640 -54.911 41 HB3 LEU 7 HB3 LEU 7 -32.534 -17.319 -54.357 42 HG LEU 7 HG LEU 7 -32.389 -18.699 -57.053 43 HD11 LEU 7 HD11 LEU 7 -33.992 -16.583 -56.122 44 HD12 LEU 7 HD12 LEU 7 -33.709 -17.034 -57.803 45 HD13 LEU 7 HD13 LEU 7 -32.693 -15.815 -57.034 46 HD21 LEU 7 HD21 LEU 7 -30.698 -16.806 -57.467 47 HD22 LEU 7 HD22 LEU 7 -30.147 -18.144 -56.459 48 HD23 LEU 7 HD23 LEU 7 -30.641 -16.624 -55.714 49 H LYS 8 H LYS 8 -33.252 -20.652 -55.684 50 HA LYS 8 HA LYS 8 -31.530 -21.577 -57.806 51 HB2 LYS 8 HB2 LYS 8 -30.988 -23.019 -55.744 52 HB3 LYS 8 HB3 LYS 8 -32.599 -23.706 -55.961 53 HG2 LYS 8 HG2 LYS 8 -31.545 -25.151 -57.370 54 HG3 LYS 8 HG3 LYS 8 -31.630 -23.813 -58.517 55 HD2 LYS 8 HD2 LYS 8 -29.403 -23.036 -57.765 56 HD3 LYS 8 HD3 LYS 8 -29.314 -24.397 -56.647 57 HE2 LYS 8 HE2 LYS 8 -29.805 -24.844 -59.588 58 HE3 LYS 8 HE3 LYS 8 -28.167 -24.648 -58.964 59 HZ1 LYS 8 HZ1 LYS 8 -30.147 -26.659 -58.037 60 HZ2 LYS 8 HZ2 LYS 8 -28.574 -26.465 -57.423 61 HZ3 LYS 8 HZ3 LYS 8 -28.806 -26.973 -59.028 62 HN1 NH2 9 HN1 NH2 9 -35.480 -21.552 -57.503 63 HN2 NH2 9 HN2 NH2 9 -34.755 -22.291 -56.158 64 H1 A2G 10 H1 A2G 10 -30.464 -19.309 -50.525 65 H2 A2G 10 H2 A2G 10 -32.550 -20.568 -50.199 66 HN2 A2G 10 HN2 A2G 10 -32.920 -17.647 -49.898 67 H3 A2G 10 H3 A2G 10 -32.888 -18.947 -47.664 68 HO3 A2G 10 HO3 A2G 10 -34.854 -19.541 -48.090 69 H4 A2G 10 H4 A2G 10 -32.439 -20.995 -46.450 70 HO4 A2G 10 HO4 A2G 10 -33.098 -22.126 -48.690 71 H5 A2G 10 H5 A2G 10 -30.490 -19.617 -47.107 72 H6 A2G 10 H6 A2G 10 -30.064 -22.620 -47.217 73 H8 A2G 10 H8 A2G 10 -34.328 -17.365 -52.881 74 H8A A2G 10 H8A A2G 10 -35.620 -17.614 -51.706 75 H8B A2G 10 H8B A2G 10 -34.222 -16.625 -51.284 76 H14 A2G 10 H14 A2G 10 -28.768 -21.445 -46.995 77 H15 A2G 10 H15 A2G 10 -29.371 -22.008 -44.976 Start of MODEL 41 1 H1 ACE 1 H1 ACE 1 -24.554 -11.104 -49.020 2 H2 ACE 1 H2 ACE 1 -24.970 -9.593 -49.829 3 H3 ACE 1 H3 ACE 1 -26.190 -10.852 -49.631 4 HA PRO 2 HA PRO 2 -26.587 -7.892 -46.083 5 HB2 PRO 2 HB2 PRO 2 -29.404 -7.702 -46.667 6 HB3 PRO 2 HB3 PRO 2 -28.169 -6.442 -46.806 7 HG2 PRO 2 HG2 PRO 2 -29.500 -7.624 -48.917 8 HG3 PRO 2 HG3 PRO 2 -27.980 -6.724 -49.029 9 HD2 PRO 2 HD2 PRO 2 -28.430 -9.672 -49.073 10 HD3 PRO 2 HD3 PRO 2 -27.152 -8.709 -49.851 11 H THR 3 H THR 3 -29.480 -9.815 -46.904 12 HA THR 3 HA THR 3 -29.051 -11.560 -44.608 13 HB THR 3 HB THR 3 -31.309 -11.072 -43.683 14 HG1 THR 3 HG1 THR 3 -31.309 -9.435 -45.888 15 HG21 THR 3 HG21 THR 3 -30.637 -9.133 -42.474 16 HG22 THR 3 HG22 THR 3 -29.650 -8.551 -43.814 17 HG23 THR 3 HG23 THR 3 -29.142 -9.968 -42.894 18 H THR 4 H THR 4 -28.860 -12.504 -47.042 19 HA THR 4 HA THR 4 -31.258 -14.139 -47.340 20 HB THR 4 HB THR 4 -30.309 -13.193 -49.944 21 HG1 THR 4 HG1 THR 4 -31.364 -11.166 -49.690 22 HG21 THR 4 HG21 THR 4 -32.719 -13.052 -50.347 23 HG22 THR 4 HG22 THR 4 -33.037 -13.244 -48.623 24 HG23 THR 4 HG23 THR 4 -32.335 -14.575 -49.544 25 H THR 5 H THR 5 -30.654 -15.434 -49.664 26 HA THR 5 HA THR 5 -27.872 -16.324 -49.517 27 HB THR 5 HB THR 5 -28.593 -18.713 -49.332 28 HG21 THR 5 HG21 THR 5 -29.689 -17.278 -46.938 29 HG22 THR 5 HG22 THR 5 -27.989 -17.061 -47.359 30 HG23 THR 5 HG23 THR 5 -28.612 -18.673 -47.007 31 HA PRO 6 HA PRO 6 -27.937 -16.784 -53.846 32 HB2 PRO 6 HB2 PRO 6 -27.340 -19.601 -53.928 33 HB3 PRO 6 HB3 PRO 6 -26.241 -18.240 -54.199 34 HG2 PRO 6 HG2 PRO 6 -26.603 -19.894 -51.821 35 HG3 PRO 6 HG3 PRO 6 -25.250 -18.849 -52.274 36 HD2 PRO 6 HD2 PRO 6 -26.990 -18.249 -50.245 37 HD3 PRO 6 HD3 PRO 6 -26.136 -17.009 -51.193 38 H LEU 7 H LEU 7 -29.368 -17.329 -55.475 39 HA LEU 7 HA LEU 7 -31.912 -18.380 -54.706 40 HB2 LEU 7 HB2 LEU 7 -30.695 -17.489 -57.307 41 HB3 LEU 7 HB3 LEU 7 -32.276 -18.270 -57.271 42 HG LEU 7 HG LEU 7 -33.166 -16.573 -55.812 43 HD11 LEU 7 HD11 LEU 7 -31.612 -14.633 -55.165 44 HD12 LEU 7 HD12 LEU 7 -30.279 -15.697 -55.617 45 HD13 LEU 7 HD13 LEU 7 -31.369 -16.156 -54.308 46 HD21 LEU 7 HD21 LEU 7 -33.307 -14.899 -57.382 47 HD22 LEU 7 HD22 LEU 7 -32.486 -16.097 -58.383 48 HD23 LEU 7 HD23 LEU 7 -31.559 -14.816 -57.601 49 H LYS 8 H LYS 8 -32.850 -19.994 -56.573 50 HA LYS 8 HA LYS 8 -31.058 -22.159 -57.223 51 HB2 LYS 8 HB2 LYS 8 -31.543 -22.522 -54.782 52 HB3 LYS 8 HB3 LYS 8 -33.245 -22.710 -55.208 53 HG2 LYS 8 HG2 LYS 8 -32.825 -24.881 -55.633 54 HG3 LYS 8 HG3 LYS 8 -31.845 -24.360 -57.004 55 HD2 LYS 8 HD2 LYS 8 -30.451 -25.753 -55.613 56 HD3 LYS 8 HD3 LYS 8 -29.908 -24.088 -55.405 57 HE2 LYS 8 HE2 LYS 8 -30.212 -24.344 -53.189 58 HE3 LYS 8 HE3 LYS 8 -31.946 -24.447 -53.499 59 HZ1 LYS 8 HZ1 LYS 8 -31.935 -26.609 -53.064 60 HZ2 LYS 8 HZ2 LYS 8 -30.347 -26.429 -52.487 61 HZ3 LYS 8 HZ3 LYS 8 -30.620 -26.896 -54.097 62 HN1 NH2 9 HN1 NH2 9 -34.381 -23.357 -56.804 63 HN2 NH2 9 HN2 NH2 9 -34.002 -23.911 -58.363 64 H1 A2G 10 H1 A2G 10 -30.180 -19.169 -50.806 65 H2 A2G 10 H2 A2G 10 -32.326 -20.391 -50.794 66 HN2 A2G 10 HN2 A2G 10 -32.618 -17.465 -50.452 67 H3 A2G 10 H3 A2G 10 -32.920 -18.826 -48.269 68 HO3 A2G 10 HO3 A2G 10 -34.623 -19.505 -49.794 69 H4 A2G 10 H4 A2G 10 -32.686 -20.908 -47.066 70 HO4 A2G 10 HO4 A2G 10 -32.079 -22.029 -49.599 71 H5 A2G 10 H5 A2G 10 -30.602 -19.640 -47.434 72 H6 A2G 10 H6 A2G 10 -30.297 -22.651 -47.678 73 H8 A2G 10 H8 A2G 10 -33.479 -17.045 -53.619 74 H8A A2G 10 H8A A2G 10 -34.966 -17.220 -52.687 75 H8B A2G 10 H8B A2G 10 -33.599 -16.337 -52.008 76 H14 A2G 10 H14 A2G 10 -29.002 -21.551 -47.209 77 H15 A2G 10 H15 A2G 10 -31.164 -21.022 -45.747 Start of MODEL 42 1 H1 ACE 1 H1 ACE 1 -30.172 -5.040 -45.751 2 H2 ACE 1 H2 ACE 1 -28.626 -4.583 -46.465 3 H3 ACE 1 H3 ACE 1 -28.706 -5.068 -44.771 4 HA PRO 2 HA PRO 2 -27.551 -8.567 -47.923 5 HB2 PRO 2 HB2 PRO 2 -25.421 -9.168 -46.080 6 HB3 PRO 2 HB3 PRO 2 -25.294 -8.616 -47.757 7 HG2 PRO 2 HG2 PRO 2 -25.022 -7.103 -45.275 8 HG3 PRO 2 HG3 PRO 2 -24.480 -6.699 -46.910 9 HD2 PRO 2 HD2 PRO 2 -26.557 -5.420 -45.663 10 HD3 PRO 2 HD3 PRO 2 -26.440 -5.592 -47.429 11 H THR 3 H THR 3 -29.337 -9.795 -47.331 12 HA THR 3 HA THR 3 -28.928 -11.627 -45.102 13 HB THR 3 HB THR 3 -31.230 -11.216 -44.224 14 HG1 THR 3 HG1 THR 3 -31.855 -10.116 -46.235 15 HG21 THR 3 HG21 THR 3 -29.566 -8.693 -44.157 16 HG22 THR 3 HG22 THR 3 -29.095 -10.160 -43.298 17 HG23 THR 3 HG23 THR 3 -30.604 -9.344 -42.887 18 H THR 4 H THR 4 -28.636 -12.655 -47.394 19 HA THR 4 HA THR 4 -31.084 -14.152 -47.916 20 HB THR 4 HB THR 4 -30.265 -13.697 -50.492 21 HG1 THR 4 HG1 THR 4 -29.270 -11.745 -48.983 22 HG21 THR 4 HG21 THR 4 -32.273 -12.230 -50.617 23 HG22 THR 4 HG22 THR 4 -32.322 -12.191 -48.855 24 HG23 THR 4 HG23 THR 4 -32.577 -13.712 -49.710 25 H THR 5 H THR 5 -30.461 -15.706 -49.933 26 HA THR 5 HA THR 5 -27.704 -16.648 -49.690 27 HB THR 5 HB THR 5 -28.579 -19.005 -49.280 28 HG21 THR 5 HG21 THR 5 -29.329 -17.372 -46.908 29 HG22 THR 5 HG22 THR 5 -27.703 -17.133 -47.550 30 HG23 THR 5 HG23 THR 5 -28.219 -18.737 -47.028 31 HA PRO 6 HA PRO 6 -27.842 -17.637 -53.939 32 HB2 PRO 6 HB2 PRO 6 -27.262 -20.444 -53.657 33 HB3 PRO 6 HB3 PRO 6 -26.160 -19.141 -54.124 34 HG2 PRO 6 HG2 PRO 6 -26.490 -20.462 -51.541 35 HG3 PRO 6 HG3 PRO 6 -25.139 -19.496 -52.153 36 HD2 PRO 6 HD2 PRO 6 -26.840 -18.619 -50.192 37 HD3 PRO 6 HD3 PRO 6 -25.997 -17.522 -51.310 38 H LEU 7 H LEU 7 -29.896 -17.550 -54.717 39 HA LEU 7 HA LEU 7 -31.979 -19.328 -53.882 40 HB2 LEU 7 HB2 LEU 7 -33.338 -18.210 -55.545 41 HB3 LEU 7 HB3 LEU 7 -32.368 -17.000 -54.704 42 HG LEU 7 HG LEU 7 -30.709 -17.775 -56.777 43 HD11 LEU 7 HD11 LEU 7 -33.496 -17.453 -57.917 44 HD12 LEU 7 HD12 LEU 7 -32.725 -19.024 -57.699 45 HD13 LEU 7 HD13 LEU 7 -32.013 -17.837 -58.791 46 HD21 LEU 7 HD21 LEU 7 -32.729 -15.509 -56.698 47 HD22 LEU 7 HD22 LEU 7 -31.305 -15.567 -57.737 48 HD23 LEU 7 HD23 LEU 7 -31.115 -15.476 -55.986 49 H LYS 8 H LYS 8 -33.282 -20.518 -55.632 50 HA LYS 8 HA LYS 8 -31.788 -21.616 -57.842 51 HB2 LYS 8 HB2 LYS 8 -31.320 -22.842 -55.427 52 HB3 LYS 8 HB3 LYS 8 -32.640 -23.808 -56.085 53 HG2 LYS 8 HG2 LYS 8 -31.304 -23.882 -58.268 54 HG3 LYS 8 HG3 LYS 8 -29.947 -23.249 -57.337 55 HD2 LYS 8 HD2 LYS 8 -30.174 -25.166 -55.761 56 HD3 LYS 8 HD3 LYS 8 -31.457 -25.819 -56.781 57 HE2 LYS 8 HE2 LYS 8 -29.536 -25.425 -58.650 58 HE3 LYS 8 HE3 LYS 8 -28.525 -25.746 -57.241 59 HZ1 LYS 8 HZ1 LYS 8 -30.606 -27.477 -58.436 60 HZ2 LYS 8 HZ2 LYS 8 -30.028 -27.726 -56.857 61 HZ3 LYS 8 HZ3 LYS 8 -28.966 -27.827 -58.180 62 HN1 NH2 9 HN1 NH2 9 -33.423 -21.973 -59.446 63 HN2 NH2 9 HN2 NH2 9 -35.038 -21.691 -59.004 64 H1 A2G 10 H1 A2G 10 -30.429 -19.317 -50.616 65 H2 A2G 10 H2 A2G 10 -32.592 -20.430 -50.185 66 HN2 A2G 10 HN2 A2G 10 -32.813 -17.499 -49.825 67 H3 A2G 10 H3 A2G 10 -32.665 -18.763 -47.657 68 HO3 A2G 10 HO3 A2G 10 -34.364 -20.730 -47.612 69 H4 A2G 10 H4 A2G 10 -32.314 -20.817 -46.434 70 HO4 A2G 10 HO4 A2G 10 -31.908 -22.749 -47.642 71 H5 A2G 10 H5 A2G 10 -30.274 -19.666 -47.207 72 H6 A2G 10 H6 A2G 10 -29.992 -22.671 -47.525 73 H8 A2G 10 H8 A2G 10 -33.845 -16.965 -52.898 74 H8A A2G 10 H8A A2G 10 -35.293 -17.326 -51.958 75 H8B A2G 10 H8B A2G 10 -33.990 -16.377 -51.241 76 H14 A2G 10 H14 A2G 10 -28.741 -21.540 -47.011 77 H15 A2G 10 H15 A2G 10 -29.486 -21.678 -45.073 Start of MODEL 43 1 H1 ACE 1 H1 ACE 1 -26.933 -12.504 -42.326 2 H2 ACE 1 H2 ACE 1 -28.292 -12.888 -43.383 3 H3 ACE 1 H3 ACE 1 -28.572 -12.055 -41.855 4 HA PRO 2 HA PRO 2 -26.502 -8.835 -44.755 5 HB2 PRO 2 HB2 PRO 2 -26.369 -9.893 -47.433 6 HB3 PRO 2 HB3 PRO 2 -25.032 -9.444 -46.365 7 HG2 PRO 2 HG2 PRO 2 -25.661 -12.014 -47.157 8 HG3 PRO 2 HG3 PRO 2 -24.653 -11.579 -45.769 9 HD2 PRO 2 HD2 PRO 2 -27.491 -12.494 -45.820 10 HD3 PRO 2 HD3 PRO 2 -26.251 -12.718 -44.565 11 H THR 3 H THR 3 -28.347 -10.712 -47.168 12 HA THR 3 HA THR 3 -30.621 -8.904 -46.926 13 HB THR 3 HB THR 3 -30.269 -8.953 -49.675 14 HG1 THR 3 HG1 THR 3 -28.180 -9.487 -49.689 15 HG21 THR 3 HG21 THR 3 -31.117 -7.041 -48.510 16 HG22 THR 3 HG22 THR 3 -29.631 -6.521 -49.303 17 HG23 THR 3 HG23 THR 3 -29.631 -6.873 -47.575 18 H THR 4 H THR 4 -29.105 -11.612 -48.634 19 HA THR 4 HA THR 4 -31.578 -13.134 -48.399 20 HB THR 4 HB THR 4 -31.672 -11.840 -50.592 21 HG1 THR 4 HG1 THR 4 -32.084 -14.450 -50.056 22 HG21 THR 4 HG21 THR 4 -29.070 -12.526 -50.845 23 HG22 THR 4 HG22 THR 4 -30.105 -12.160 -52.226 24 HG23 THR 4 HG23 THR 4 -29.814 -13.836 -51.762 25 H THR 5 H THR 5 -30.690 -15.073 -50.386 26 HA THR 5 HA THR 5 -28.102 -16.011 -49.423 27 HB THR 5 HB THR 5 -29.152 -18.278 -48.876 28 HG21 THR 5 HG21 THR 5 -30.217 -16.261 -46.954 29 HG22 THR 5 HG22 THR 5 -28.484 -16.232 -47.282 30 HG23 THR 5 HG23 THR 5 -29.237 -17.695 -46.648 31 HA PRO 6 HA PRO 6 -27.421 -17.648 -53.411 32 HB2 PRO 6 HB2 PRO 6 -27.063 -20.391 -52.610 33 HB3 PRO 6 HB3 PRO 6 -25.820 -19.198 -53.020 34 HG2 PRO 6 HG2 PRO 6 -26.740 -20.102 -50.400 35 HG3 PRO 6 HG3 PRO 6 -25.243 -19.271 -50.848 36 HD2 PRO 6 HD2 PRO 6 -27.259 -18.067 -49.436 37 HD3 PRO 6 HD3 PRO 6 -26.148 -17.173 -50.499 38 H LEU 7 H LEU 7 -29.320 -17.581 -54.543 39 HA LEU 7 HA LEU 7 -31.583 -19.226 -53.931 40 HB2 LEU 7 HB2 LEU 7 -32.569 -18.280 -55.931 41 HB3 LEU 7 HB3 LEU 7 -31.732 -16.999 -55.054 42 HG LEU 7 HG LEU 7 -29.745 -18.026 -56.686 43 HD11 LEU 7 HD11 LEU 7 -31.424 -19.364 -57.908 44 HD12 LEU 7 HD12 LEU 7 -30.745 -18.105 -58.939 45 HD13 LEU 7 HD13 LEU 7 -32.350 -17.899 -58.237 46 HD21 LEU 7 HD21 LEU 7 -31.653 -15.719 -57.193 47 HD22 LEU 7 HD22 LEU 7 -30.083 -15.922 -57.971 48 HD23 LEU 7 HD23 LEU 7 -30.177 -15.651 -56.230 49 H LYS 8 H LYS 8 -32.581 -20.531 -55.837 50 HA LYS 8 HA LYS 8 -30.711 -21.920 -57.538 51 HB2 LYS 8 HB2 LYS 8 -30.212 -23.116 -55.504 52 HB3 LYS 8 HB3 LYS 8 -31.929 -23.334 -55.157 53 HG2 LYS 8 HG2 LYS 8 -32.195 -24.960 -56.780 54 HG3 LYS 8 HG3 LYS 8 -30.890 -24.323 -57.781 55 HD2 LYS 8 HD2 LYS 8 -30.248 -26.469 -56.729 56 HD3 LYS 8 HD3 LYS 8 -29.229 -25.146 -56.160 57 HE2 LYS 8 HE2 LYS 8 -30.083 -26.692 -54.339 58 HE3 LYS 8 HE3 LYS 8 -30.450 -24.984 -54.097 59 HZ1 LYS 8 HZ1 LYS 8 -32.391 -26.583 -55.580 60 HZ2 LYS 8 HZ2 LYS 8 -32.642 -25.296 -54.500 61 HZ3 LYS 8 HZ3 LYS 8 -32.286 -26.849 -53.908 62 HN1 NH2 9 HN1 NH2 9 -33.035 -21.026 -59.076 63 HN2 NH2 9 HN2 NH2 9 -32.824 -22.629 -59.592 64 H1 A2G 10 H1 A2G 10 -30.717 -18.726 -50.482 65 H2 A2G 10 H2 A2G 10 -32.991 -19.682 -50.378 66 HN2 A2G 10 HN2 A2G 10 -32.987 -16.723 -50.497 67 H3 A2G 10 H3 A2G 10 -33.468 -17.672 -48.162 68 HO3 A2G 10 HO3 A2G 10 -35.073 -19.854 -48.931 69 H4 A2G 10 H4 A2G 10 -33.516 -19.544 -46.636 70 HO4 A2G 10 HO4 A2G 10 -33.789 -20.912 -48.938 71 H5 A2G 10 H5 A2G 10 -31.287 -18.594 -47.102 72 H6 A2G 10 H6 A2G 10 -31.360 -21.616 -46.834 73 H8 A2G 10 H8 A2G 10 -33.659 -16.740 -53.781 74 H8A A2G 10 H8A A2G 10 -35.151 -16.583 -52.852 75 H8B A2G 10 H8B A2G 10 -33.685 -15.767 -52.310 76 H14 A2G 10 H14 A2G 10 -29.929 -20.631 -46.527 77 H15 A2G 10 H15 A2G 10 -32.424 -20.516 -45.191 Start of MODEL 44 1 H1 ACE 1 H1 ACE 1 -28.825 -8.939 -49.535 2 H2 ACE 1 H2 ACE 1 -27.326 -9.526 -50.256 3 H3 ACE 1 H3 ACE 1 -27.514 -7.812 -49.883 4 HA PRO 2 HA PRO 2 -25.817 -7.989 -45.852 5 HB2 PRO 2 HB2 PRO 2 -28.227 -7.585 -44.327 6 HB3 PRO 2 HB3 PRO 2 -26.964 -6.406 -44.711 7 HG2 PRO 2 HG2 PRO 2 -29.579 -6.805 -45.949 8 HG3 PRO 2 HG3 PRO 2 -28.505 -5.400 -46.003 9 HD2 PRO 2 HD2 PRO 2 -28.942 -7.031 -48.159 10 HD3 PRO 2 HD3 PRO 2 -27.431 -6.126 -47.915 11 H THR 3 H THR 3 -28.926 -9.681 -46.142 12 HA THR 3 HA THR 3 -27.748 -12.062 -44.942 13 HB THR 3 HB THR 3 -28.548 -11.115 -42.931 14 HG1 THR 3 HG1 THR 3 -29.784 -12.734 -42.413 15 HG21 THR 3 HG21 THR 3 -31.168 -10.438 -43.092 16 HG22 THR 3 HG22 THR 3 -30.637 -10.016 -44.720 17 HG23 THR 3 HG23 THR 3 -29.855 -9.285 -43.320 18 H THR 4 H THR 4 -28.076 -12.746 -47.163 19 HA THR 4 HA THR 4 -30.726 -13.912 -47.524 20 HB THR 4 HB THR 4 -30.202 -12.998 -50.081 21 HG1 THR 4 HG1 THR 4 -29.941 -10.716 -49.675 22 HG21 THR 4 HG21 THR 4 -31.964 -11.859 -47.895 23 HG22 THR 4 HG22 THR 4 -32.403 -13.098 -49.071 24 HG23 THR 4 HG23 THR 4 -32.112 -11.441 -49.602 25 H THR 5 H THR 5 -30.610 -15.110 -49.834 26 HA THR 5 HA THR 5 -27.964 -16.288 -50.255 27 HB THR 5 HB THR 5 -28.876 -18.590 -50.047 28 HG21 THR 5 HG21 THR 5 -27.870 -17.101 -48.095 29 HG22 THR 5 HG22 THR 5 -28.550 -18.691 -47.752 30 HG23 THR 5 HG23 THR 5 -29.505 -17.239 -47.450 31 HA PRO 6 HA PRO 6 -29.320 -16.532 -54.406 32 HB2 PRO 6 HB2 PRO 6 -28.049 -19.053 -54.986 33 HB3 PRO 6 HB3 PRO 6 -27.451 -17.421 -55.323 34 HG2 PRO 6 HG2 PRO 6 -26.365 -19.183 -53.493 35 HG3 PRO 6 HG3 PRO 6 -26.095 -17.434 -53.528 36 HD2 PRO 6 HD2 PRO 6 -27.863 -19.029 -51.733 37 HD3 PRO 6 HD3 PRO 6 -27.014 -17.499 -51.418 38 H LEU 7 H LEU 7 -30.773 -17.512 -55.872 39 HA LEU 7 HA LEU 7 -32.804 -19.131 -54.672 40 HB2 LEU 7 HB2 LEU 7 -32.890 -17.357 -56.650 41 HB3 LEU 7 HB3 LEU 7 -32.647 -18.801 -57.633 42 HG LEU 7 HG LEU 7 -34.830 -18.434 -55.560 43 HD11 LEU 7 HD11 LEU 7 -35.505 -17.132 -57.390 44 HD12 LEU 7 HD12 LEU 7 -36.221 -18.702 -57.758 45 HD13 LEU 7 HD13 LEU 7 -34.732 -18.203 -58.560 46 HD21 LEU 7 HD21 LEU 7 -35.647 -20.569 -56.834 47 HD22 LEU 7 HD22 LEU 7 -34.396 -20.743 -55.605 48 HD23 LEU 7 HD23 LEU 7 -33.957 -20.724 -57.313 49 H LYS 8 H LYS 8 -32.687 -21.255 -54.382 50 HA LYS 8 HA LYS 8 -31.883 -23.013 -56.523 51 HB2 LYS 8 HB2 LYS 8 -29.902 -22.191 -54.664 52 HB3 LYS 8 HB3 LYS 8 -30.310 -23.866 -54.287 53 HG2 LYS 8 HG2 LYS 8 -29.952 -24.501 -56.633 54 HG3 LYS 8 HG3 LYS 8 -29.586 -22.825 -57.042 55 HD2 LYS 8 HD2 LYS 8 -28.027 -24.061 -54.819 56 HD3 LYS 8 HD3 LYS 8 -27.653 -24.586 -56.461 57 HE2 LYS 8 HE2 LYS 8 -27.886 -21.655 -55.810 58 HE3 LYS 8 HE3 LYS 8 -26.382 -22.524 -55.505 59 HZ1 LYS 8 HZ1 LYS 8 -25.900 -22.270 -57.637 60 HZ2 LYS 8 HZ2 LYS 8 -27.418 -21.577 -57.957 61 HZ3 LYS 8 HZ3 LYS 8 -27.216 -23.262 -58.036 62 HN1 NH2 9 HN1 NH2 9 -34.169 -23.812 -53.373 63 HN2 NH2 9 HN2 NH2 9 -34.201 -22.514 -54.466 64 H1 A2G 10 H1 A2G 10 -30.642 -19.079 -51.150 65 H2 A2G 10 H2 A2G 10 -32.872 -20.078 -50.793 66 HN2 A2G 10 HN2 A2G 10 -32.947 -17.121 -50.649 67 H3 A2G 10 H3 A2G 10 -33.031 -18.253 -48.381 68 HO3 A2G 10 HO3 A2G 10 -34.727 -20.172 -49.574 69 H4 A2G 10 H4 A2G 10 -32.845 -20.237 -47.015 70 HO4 A2G 10 HO4 A2G 10 -33.803 -21.492 -48.929 71 H5 A2G 10 H5 A2G 10 -30.713 -19.218 -47.723 72 H6 A2G 10 H6 A2G 10 -30.889 -22.220 -47.505 73 H8 A2G 10 H8 A2G 10 -34.165 -16.961 -53.873 74 H8A A2G 10 H8A A2G 10 -35.314 -16.766 -52.549 75 H8B A2G 10 H8B A2G 10 -33.707 -16.047 -52.437 76 H14 A2G 10 H14 A2G 10 -29.326 -21.425 -47.693 77 H15 A2G 10 H15 A2G 10 -31.081 -20.398 -45.794 Start of MODEL 45 1 H1 ACE 1 H1 ACE 1 -29.770 -14.878 -44.859 2 H2 ACE 1 H2 ACE 1 -28.378 -14.546 -43.829 3 H3 ACE 1 H3 ACE 1 -28.235 -14.396 -45.580 4 HA PRO 2 HA PRO 2 -29.245 -10.307 -43.173 5 HB2 PRO 2 HB2 PRO 2 -27.110 -9.165 -44.735 6 HB3 PRO 2 HB3 PRO 2 -27.197 -9.361 -42.978 7 HG2 PRO 2 HG2 PRO 2 -25.795 -10.978 -44.964 8 HG3 PRO 2 HG3 PRO 2 -25.553 -10.878 -43.214 9 HD2 PRO 2 HD2 PRO 2 -26.644 -13.065 -44.452 10 HD3 PRO 2 HD3 PRO 2 -27.030 -12.602 -42.779 11 H THR 3 H THR 3 -27.802 -10.231 -46.437 12 HA THR 3 HA THR 3 -30.024 -8.598 -47.389 13 HB THR 3 HB THR 3 -28.339 -9.150 -49.544 14 HG1 THR 3 HG1 THR 3 -26.291 -8.857 -48.673 15 HG21 THR 3 HG21 THR 3 -27.585 -6.827 -49.176 16 HG22 THR 3 HG22 THR 3 -28.268 -6.868 -47.550 17 HG23 THR 3 HG23 THR 3 -29.328 -6.977 -48.956 18 H THR 4 H THR 4 -28.326 -11.457 -48.699 19 HA THR 4 HA THR 4 -30.883 -12.753 -49.239 20 HB THR 4 HB THR 4 -29.285 -12.915 -51.634 21 HG1 THR 4 HG1 THR 4 -28.995 -10.875 -52.092 22 HG21 THR 4 HG21 THR 4 -32.026 -11.758 -51.056 23 HG22 THR 4 HG22 THR 4 -31.686 -13.444 -51.444 24 HG23 THR 4 HG23 THR 4 -31.408 -12.189 -52.651 25 H THR 5 H THR 5 -30.089 -14.793 -50.830 26 HA THR 5 HA THR 5 -27.655 -15.963 -49.709 27 HB THR 5 HB THR 5 -28.930 -18.056 -49.098 28 HG21 THR 5 HG21 THR 5 -30.055 -15.829 -47.455 29 HG22 THR 5 HG22 THR 5 -28.300 -15.963 -47.567 30 HG23 THR 5 HG23 THR 5 -29.249 -17.309 -46.935 31 HA PRO 6 HA PRO 6 -26.940 -17.795 -53.606 32 HB2 PRO 6 HB2 PRO 6 -26.898 -20.529 -52.698 33 HB3 PRO 6 HB3 PRO 6 -25.523 -19.481 -53.078 34 HG2 PRO 6 HG2 PRO 6 -26.660 -20.191 -50.484 35 HG3 PRO 6 HG3 PRO 6 -25.068 -19.527 -50.877 36 HD2 PRO 6 HD2 PRO 6 -27.024 -18.080 -49.616 37 HD3 PRO 6 HD3 PRO 6 -25.775 -17.340 -50.643 38 H LEU 7 H LEU 7 -28.438 -18.032 -55.155 39 HA LEU 7 HA LEU 7 -31.080 -18.985 -54.602 40 HB2 LEU 7 HB2 LEU 7 -30.772 -17.273 -56.278 41 HB3 LEU 7 HB3 LEU 7 -29.681 -18.310 -57.198 42 HG LEU 7 HG LEU 7 -32.290 -19.544 -56.619 43 HD11 LEU 7 HD11 LEU 7 -32.110 -17.128 -58.446 44 HD12 LEU 7 HD12 LEU 7 -33.019 -17.211 -56.937 45 HD13 LEU 7 HD13 LEU 7 -33.499 -18.206 -58.312 46 HD21 LEU 7 HD21 LEU 7 -30.381 -20.293 -58.195 47 HD22 LEU 7 HD22 LEU 7 -30.966 -19.038 -59.288 48 HD23 LEU 7 HD23 LEU 7 -32.025 -20.371 -58.828 49 H LYS 8 H LYS 8 -31.983 -20.942 -54.973 50 HA LYS 8 HA LYS 8 -30.224 -23.184 -55.431 51 HB2 LYS 8 HB2 LYS 8 -33.133 -23.657 -55.474 52 HB3 LYS 8 HB3 LYS 8 -31.877 -24.428 -54.505 53 HG2 LYS 8 HG2 LYS 8 -31.753 -22.223 -53.198 54 HG3 LYS 8 HG3 LYS 8 -33.264 -21.791 -54.000 55 HD2 LYS 8 HD2 LYS 8 -32.815 -24.277 -52.319 56 HD3 LYS 8 HD3 LYS 8 -33.691 -22.835 -51.801 57 HE2 LYS 8 HE2 LYS 8 -35.151 -23.210 -53.906 58 HE3 LYS 8 HE3 LYS 8 -34.459 -24.832 -53.927 59 HZ1 LYS 8 HZ1 LYS 8 -36.610 -24.043 -52.470 60 HZ2 LYS 8 HZ2 LYS 8 -35.354 -24.029 -51.326 61 HZ3 LYS 8 HZ3 LYS 8 -35.696 -25.446 -52.200 62 HN1 NH2 9 HN1 NH2 9 -32.676 -22.025 -58.387 63 HN2 NH2 9 HN2 NH2 9 -33.421 -23.152 -57.360 64 H1 A2G 10 H1 A2G 10 -30.338 -18.554 -50.816 65 H2 A2G 10 H2 A2G 10 -32.669 -19.365 -50.901 66 HN2 A2G 10 HN2 A2G 10 -32.410 -16.438 -51.271 67 H3 A2G 10 H3 A2G 10 -33.252 -17.143 -48.925 68 HO3 A2G 10 HO3 A2G 10 -34.745 -19.058 -50.333 69 H4 A2G 10 H4 A2G 10 -33.595 -18.868 -47.268 70 HO4 A2G 10 HO4 A2G 10 -34.124 -20.748 -47.990 71 H5 A2G 10 H5 A2G 10 -31.269 -18.094 -47.547 72 H6 A2G 10 H6 A2G 10 -32.058 -20.716 -46.565 73 H8 A2G 10 H8 A2G 10 -33.382 -16.905 -54.668 74 H8A A2G 10 H8A A2G 10 -34.012 -15.852 -53.401 75 H8B A2G 10 H8B A2G 10 -32.273 -15.966 -53.671 76 H14 A2G 10 H14 A2G 10 -30.379 -20.721 -47.104 77 H15 A2G 10 H15 A2G 10 -30.925 -18.465 -45.753 Start of MODEL 46 1 H1 ACE 1 H1 ACE 1 -31.171 -6.331 -45.350 2 H2 ACE 1 H2 ACE 1 -29.758 -6.564 -44.320 3 H3 ACE 1 H3 ACE 1 -31.345 -7.113 -43.779 4 HA PRO 2 HA PRO 2 -31.045 -11.177 -45.376 5 HB2 PRO 2 HB2 PRO 2 -32.925 -10.956 -47.546 6 HB3 PRO 2 HB3 PRO 2 -33.170 -11.692 -45.956 7 HG2 PRO 2 HG2 PRO 2 -33.989 -9.067 -46.937 8 HG3 PRO 2 HG3 PRO 2 -34.582 -9.990 -45.548 9 HD2 PRO 2 HD2 PRO 2 -33.063 -7.724 -45.301 10 HD3 PRO 2 HD3 PRO 2 -33.064 -9.030 -44.094 11 H THR 3 H THR 3 -29.380 -11.926 -46.547 12 HA THR 3 HA THR 3 -28.475 -10.460 -48.901 13 HB THR 3 HB THR 3 -27.230 -12.939 -47.715 14 HG1 THR 3 HG1 THR 3 -26.889 -10.215 -47.005 15 HG21 THR 3 HG21 THR 3 -26.654 -11.532 -49.996 16 HG22 THR 3 HG22 THR 3 -25.483 -12.490 -49.089 17 HG23 THR 3 HG23 THR 3 -25.598 -10.751 -48.819 18 H THR 4 H THR 4 -27.349 -13.397 -49.481 19 HA THR 4 HA THR 4 -29.694 -14.550 -50.777 20 HB THR 4 HB THR 4 -27.888 -14.641 -52.855 21 HG1 THR 4 HG1 THR 4 -27.000 -12.789 -51.326 22 HG21 THR 4 HG21 THR 4 -30.186 -12.771 -52.252 23 HG22 THR 4 HG22 THR 4 -30.220 -14.257 -53.202 24 HG23 THR 4 HG23 THR 4 -29.394 -12.829 -53.827 25 H THR 5 H THR 5 -29.394 -16.722 -51.412 26 HA THR 5 HA THR 5 -26.814 -17.983 -50.879 27 HB THR 5 HB THR 5 -28.293 -19.745 -49.514 28 HG21 THR 5 HG21 THR 5 -27.432 -18.739 -47.482 29 HG22 THR 5 HG22 THR 5 -27.281 -17.171 -48.276 30 HG23 THR 5 HG23 THR 5 -26.238 -18.509 -48.760 31 HA PRO 6 HA PRO 6 -27.616 -20.712 -54.181 32 HB2 PRO 6 HB2 PRO 6 -27.576 -23.163 -52.669 33 HB3 PRO 6 HB3 PRO 6 -26.296 -22.484 -53.684 34 HG2 PRO 6 HG2 PRO 6 -26.594 -22.430 -50.780 35 HG3 PRO 6 HG3 PRO 6 -25.155 -22.162 -51.774 36 HD2 PRO 6 HD2 PRO 6 -26.421 -20.156 -50.403 37 HD3 PRO 6 HD3 PRO 6 -25.505 -19.882 -51.903 38 H LEU 7 H LEU 7 -29.900 -19.705 -53.863 39 HA LEU 7 HA LEU 7 -31.811 -21.810 -54.141 40 HB2 LEU 7 HB2 LEU 7 -31.382 -21.172 -51.519 41 HB3 LEU 7 HB3 LEU 7 -32.703 -20.079 -51.932 42 HG LEU 7 HG LEU 7 -32.713 -23.057 -52.500 43 HD11 LEU 7 HD11 LEU 7 -33.786 -21.413 -50.210 44 HD12 LEU 7 HD12 LEU 7 -32.852 -22.909 -50.149 45 HD13 LEU 7 HD13 LEU 7 -34.540 -22.942 -50.661 46 HD21 LEU 7 HD21 LEU 7 -34.825 -20.885 -52.688 47 HD22 LEU 7 HD22 LEU 7 -35.158 -22.609 -52.857 48 HD23 LEU 7 HD23 LEU 7 -34.124 -21.793 -54.029 49 H LYS 8 H LYS 8 -30.771 -19.349 -55.452 50 HA LYS 8 HA LYS 8 -32.931 -17.435 -55.408 51 HB2 LYS 8 HB2 LYS 8 -30.457 -17.761 -57.104 52 HB3 LYS 8 HB3 LYS 8 -31.658 -16.508 -57.425 53 HG2 LYS 8 HG2 LYS 8 -31.020 -15.270 -55.634 54 HG3 LYS 8 HG3 LYS 8 -30.852 -16.689 -54.600 55 HD2 LYS 8 HD2 LYS 8 -28.858 -16.089 -56.785 56 HD3 LYS 8 HD3 LYS 8 -28.696 -15.392 -55.173 57 HE2 LYS 8 HE2 LYS 8 -28.055 -17.367 -54.253 58 HE3 LYS 8 HE3 LYS 8 -29.247 -18.285 -55.175 59 HZ1 LYS 8 HZ1 LYS 8 -26.544 -18.176 -55.640 60 HZ2 LYS 8 HZ2 LYS 8 -27.224 -17.212 -56.863 61 HZ3 LYS 8 HZ3 LYS 8 -27.723 -18.824 -56.672 62 HN1 NH2 9 HN1 NH2 9 -33.826 -20.178 -56.159 63 HN2 NH2 9 HN2 NH2 9 -34.762 -19.759 -57.511 64 H1 A2G 10 H1 A2G 10 -30.361 -19.495 -50.388 65 H2 A2G 10 H2 A2G 10 -32.641 -19.203 -49.484 66 HN2 A2G 10 HN2 A2G 10 -31.319 -16.660 -50.228 67 H3 A2G 10 H3 A2G 10 -31.391 -17.115 -47.679 68 HO3 A2G 10 HO3 A2G 10 -33.908 -17.767 -48.460 69 H4 A2G 10 H4 A2G 10 -31.762 -18.646 -45.848 70 HO4 A2G 10 HO4 A2G 10 -32.620 -20.578 -47.716 71 H5 A2G 10 H5 A2G 10 -29.645 -18.940 -47.080 72 H6 A2G 10 H6 A2G 10 -30.974 -21.521 -46.198 73 H8 A2G 10 H8 A2G 10 -33.066 -16.417 -53.053 74 H8A A2G 10 H8A A2G 10 -33.908 -15.527 -51.784 75 H8B A2G 10 H8B A2G 10 -32.146 -15.505 -51.855 76 H14 A2G 10 H14 A2G 10 -29.243 -21.347 -46.485 77 H15 A2G 10 H15 A2G 10 -29.059 -20.055 -44.773 Start of MODEL 47 1 H1 ACE 1 H1 ACE 1 -27.132 -12.353 -42.765 2 H2 ACE 1 H2 ACE 1 -28.452 -12.979 -43.752 3 H3 ACE 1 H3 ACE 1 -28.803 -12.106 -42.261 4 HA PRO 2 HA PRO 2 -26.737 -8.622 -45.018 5 HB2 PRO 2 HB2 PRO 2 -26.659 -9.711 -47.684 6 HB3 PRO 2 HB3 PRO 2 -25.306 -9.151 -46.691 7 HG2 PRO 2 HG2 PRO 2 -26.240 -11.870 -47.200 8 HG3 PRO 2 HG3 PRO 2 -24.675 -11.306 -46.596 9 HD2 PRO 2 HD2 PRO 2 -26.499 -12.615 -45.028 10 HD3 PRO 2 HD3 PRO 2 -25.330 -11.440 -44.384 11 H THR 3 H THR 3 -28.518 -10.638 -47.361 12 HA THR 3 HA THR 3 -30.936 -9.051 -46.995 13 HB THR 3 HB THR 3 -30.086 -7.617 -48.607 14 HG1 THR 3 HG1 THR 3 -31.123 -9.715 -50.203 15 HG21 THR 3 HG21 THR 3 -28.586 -10.045 -49.490 16 HG22 THR 3 HG22 THR 3 -27.999 -8.407 -49.198 17 HG23 THR 3 HG23 THR 3 -28.882 -8.777 -50.680 18 H THR 4 H THR 4 -29.234 -11.614 -48.733 19 HA THR 4 HA THR 4 -31.579 -13.329 -48.487 20 HB THR 4 HB THR 4 -31.731 -12.036 -50.700 21 HG1 THR 4 HG1 THR 4 -32.951 -13.787 -50.687 22 HG21 THR 4 HG21 THR 4 -30.177 -12.375 -52.356 23 HG22 THR 4 HG22 THR 4 -29.781 -14.000 -51.797 24 HG23 THR 4 HG23 THR 4 -29.118 -12.595 -50.963 25 H THR 5 H THR 5 -30.612 -15.269 -50.362 26 HA THR 5 HA THR 5 -27.913 -15.953 -49.492 27 HB THR 5 HB THR 5 -28.779 -18.271 -48.786 28 HG21 THR 5 HG21 THR 5 -28.110 -16.113 -47.344 29 HG22 THR 5 HG22 THR 5 -28.736 -17.576 -46.584 30 HG23 THR 5 HG23 THR 5 -29.808 -16.210 -46.882 31 HA PRO 6 HA PRO 6 -27.283 -17.736 -53.436 32 HB2 PRO 6 HB2 PRO 6 -26.763 -20.424 -52.528 33 HB3 PRO 6 HB3 PRO 6 -25.596 -19.198 -53.049 34 HG2 PRO 6 HG2 PRO 6 -26.385 -19.996 -50.346 35 HG3 PRO 6 HG3 PRO 6 -24.930 -19.153 -50.898 36 HD2 PRO 6 HD2 PRO 6 -26.889 -17.906 -49.476 37 HD3 PRO 6 HD3 PRO 6 -25.897 -17.054 -50.681 38 H LEU 7 H LEU 7 -29.360 -17.674 -54.302 39 HA LEU 7 HA LEU 7 -31.407 -19.551 -53.600 40 HB2 LEU 7 HB2 LEU 7 -32.729 -18.482 -55.228 41 HB3 LEU 7 HB3 LEU 7 -31.679 -17.199 -54.625 42 HG LEU 7 HG LEU 7 -31.263 -18.823 -57.152 43 HD11 LEU 7 HD11 LEU 7 -31.875 -16.904 -58.337 44 HD12 LEU 7 HD12 LEU 7 -31.543 -15.835 -56.974 45 HD13 LEU 7 HD13 LEU 7 -32.986 -16.847 -56.968 46 HD21 LEU 7 HD21 LEU 7 -29.553 -16.775 -55.727 47 HD22 LEU 7 HD22 LEU 7 -29.368 -17.110 -57.448 48 HD23 LEU 7 HD23 LEU 7 -29.093 -18.390 -56.266 49 H LYS 8 H LYS 8 -32.494 -20.574 -55.780 50 HA LYS 8 HA LYS 8 -30.664 -22.682 -56.514 51 HB2 LYS 8 HB2 LYS 8 -33.487 -22.150 -57.471 52 HB3 LYS 8 HB3 LYS 8 -32.582 -23.652 -57.669 53 HG2 LYS 8 HG2 LYS 8 -32.334 -23.459 -55.034 54 HG3 LYS 8 HG3 LYS 8 -33.794 -22.482 -55.194 55 HD2 LYS 8 HD2 LYS 8 -34.747 -24.581 -54.983 56 HD3 LYS 8 HD3 LYS 8 -34.562 -24.509 -56.736 57 HE2 LYS 8 HE2 LYS 8 -33.633 -26.603 -56.169 58 HE3 LYS 8 HE3 LYS 8 -32.224 -25.552 -56.323 59 HZ1 LYS 8 HZ1 LYS 8 -33.066 -25.265 -53.725 60 HZ2 LYS 8 HZ2 LYS 8 -31.712 -26.140 -54.264 61 HZ3 LYS 8 HZ3 LYS 8 -33.200 -26.928 -54.034 62 HN1 NH2 9 HN1 NH2 9 -32.001 -21.089 -59.925 63 HN2 NH2 9 HN2 NH2 9 -32.286 -20.053 -58.610 64 H1 A2G 10 H1 A2G 10 -30.469 -18.830 -50.303 65 H2 A2G 10 H2 A2G 10 -32.688 -19.881 -49.974 66 HN2 A2G 10 HN2 A2G 10 -32.780 -16.930 -50.197 67 H3 A2G 10 H3 A2G 10 -33.035 -17.821 -47.780 68 HO3 A2G 10 HO3 A2G 10 -34.629 -20.063 -48.419 69 H4 A2G 10 H4 A2G 10 -32.877 -19.643 -46.207 70 HO4 A2G 10 HO4 A2G 10 -32.875 -21.169 -48.561 71 H5 A2G 10 H5 A2G 10 -30.734 -18.654 -46.913 72 H6 A2G 10 H6 A2G 10 -30.592 -21.674 -46.626 73 H8 A2G 10 H8 A2G 10 -33.641 -17.055 -53.363 74 H8A A2G 10 H8A A2G 10 -35.154 -16.976 -52.458 75 H8B A2G 10 H8B A2G 10 -33.751 -16.056 -51.914 76 H14 A2G 10 H14 A2G 10 -29.265 -20.550 -46.323 77 H15 A2G 10 H15 A2G 10 -31.152 -19.581 -44.914 Start of MODEL 48 1 H1 ACE 1 H1 ACE 1 -33.058 -8.907 -47.306 2 H2 ACE 1 H2 ACE 1 -32.667 -7.239 -46.889 3 H3 ACE 1 H3 ACE 1 -32.435 -8.522 -45.702 4 HA PRO 2 HA PRO 2 -28.531 -7.320 -48.315 5 HB2 PRO 2 HB2 PRO 2 -27.172 -7.250 -45.776 6 HB3 PRO 2 HB3 PRO 2 -27.445 -5.918 -46.908 7 HG2 PRO 2 HG2 PRO 2 -28.873 -6.593 -44.453 8 HG3 PRO 2 HG3 PRO 2 -28.824 -5.069 -45.348 9 HD2 PRO 2 HD2 PRO 2 -31.035 -6.682 -45.261 10 HD3 PRO 2 HD3 PRO 2 -30.669 -5.609 -46.631 11 H THR 3 H THR 3 -28.924 -9.297 -45.374 12 HA THR 3 HA THR 3 -26.942 -11.218 -46.317 13 HB THR 3 HB THR 3 -27.643 -12.392 -44.131 14 HG1 THR 3 HG1 THR 3 -28.684 -9.835 -43.558 15 HG21 THR 3 HG21 THR 3 -26.464 -9.601 -44.066 16 HG22 THR 3 HG22 THR 3 -25.574 -11.091 -44.378 17 HG23 THR 3 HG23 THR 3 -26.294 -10.810 -42.793 18 H THR 4 H THR 4 -27.454 -12.903 -47.546 19 HA THR 4 HA THR 4 -29.987 -14.295 -47.169 20 HB THR 4 HB THR 4 -30.407 -12.462 -48.862 21 HG1 THR 4 HG1 THR 4 -31.709 -13.799 -49.871 22 HG21 THR 4 HG21 THR 4 -28.991 -14.043 -50.925 23 HG22 THR 4 HG22 THR 4 -27.954 -13.127 -49.830 24 HG23 THR 4 HG23 THR 4 -29.186 -12.296 -50.780 25 H THR 5 H THR 5 -29.739 -15.658 -49.730 26 HA THR 5 HA THR 5 -27.131 -16.961 -49.650 27 HB THR 5 HB THR 5 -28.255 -19.230 -49.451 28 HG21 THR 5 HG21 THR 5 -27.999 -19.234 -47.136 29 HG22 THR 5 HG22 THR 5 -28.748 -17.649 -46.950 30 HG23 THR 5 HG23 THR 5 -27.104 -17.779 -47.574 31 HA PRO 6 HA PRO 6 -27.466 -17.485 -53.970 32 HB2 PRO 6 HB2 PRO 6 -27.272 -20.358 -53.995 33 HB3 PRO 6 HB3 PRO 6 -26.010 -19.173 -54.358 34 HG2 PRO 6 HG2 PRO 6 -26.477 -20.704 -51.917 35 HG3 PRO 6 HG3 PRO 6 -25.017 -19.869 -52.465 36 HD2 PRO 6 HD2 PRO 6 -26.551 -18.984 -50.376 37 HD3 PRO 6 HD3 PRO 6 -25.582 -17.899 -51.399 38 H LEU 7 H LEU 7 -29.363 -17.229 -54.991 39 HA LEU 7 HA LEU 7 -31.768 -18.539 -54.159 40 HB2 LEU 7 HB2 LEU 7 -31.922 -16.324 -55.091 41 HB3 LEU 7 HB3 LEU 7 -31.115 -16.839 -56.573 42 HG LEU 7 HG LEU 7 -33.486 -18.443 -55.882 43 HD11 LEU 7 HD11 LEU 7 -34.497 -16.433 -55.159 44 HD12 LEU 7 HD12 LEU 7 -34.968 -16.555 -56.854 45 HD13 LEU 7 HD13 LEU 7 -33.660 -15.472 -56.378 46 HD21 LEU 7 HD21 LEU 7 -33.800 -18.404 -58.229 47 HD22 LEU 7 HD22 LEU 7 -32.046 -18.377 -58.038 48 HD23 LEU 7 HD23 LEU 7 -32.916 -16.889 -58.408 49 H LYS 8 H LYS 8 -32.807 -20.274 -55.012 50 HA LYS 8 HA LYS 8 -31.278 -22.062 -56.684 51 HB2 LYS 8 HB2 LYS 8 -32.938 -22.613 -54.724 52 HB3 LYS 8 HB3 LYS 8 -34.159 -22.517 -55.994 53 HG2 LYS 8 HG2 LYS 8 -33.578 -24.759 -56.145 54 HG3 LYS 8 HG3 LYS 8 -32.448 -24.058 -57.304 55 HD2 LYS 8 HD2 LYS 8 -30.968 -25.297 -56.032 56 HD3 LYS 8 HD3 LYS 8 -30.941 -23.785 -55.123 57 HE2 LYS 8 HE2 LYS 8 -31.258 -25.626 -53.564 58 HE3 LYS 8 HE3 LYS 8 -32.753 -24.695 -53.654 59 HZ1 LYS 8 HZ1 LYS 8 -33.656 -26.702 -54.016 60 HZ2 LYS 8 HZ2 LYS 8 -32.196 -27.398 -54.538 61 HZ3 LYS 8 HZ3 LYS 8 -33.127 -26.466 -55.611 62 HN1 NH2 9 HN1 NH2 9 -34.845 -21.731 -57.809 63 HN2 NH2 9 HN2 NH2 9 -34.435 -20.115 -58.130 64 H1 A2G 10 H1 A2G 10 -30.071 -19.192 -50.793 65 H2 A2G 10 H2 A2G 10 -32.396 -19.996 -50.578 66 HN2 A2G 10 HN2 A2G 10 -32.069 -17.116 -49.972 67 H3 A2G 10 H3 A2G 10 -32.362 -18.617 -47.881 68 HO3 A2G 10 HO3 A2G 10 -34.266 -20.384 -48.990 69 H4 A2G 10 H4 A2G 10 -32.393 -20.820 -46.888 70 HO4 A2G 10 HO4 A2G 10 -32.847 -21.545 -49.525 71 H5 A2G 10 H5 A2G 10 -30.163 -19.924 -47.443 72 H6 A2G 10 H6 A2G 10 -30.816 -22.798 -47.405 73 H8 A2G 10 H8 A2G 10 -33.568 -16.362 -53.037 74 H8A A2G 10 H8A A2G 10 -34.362 -16.018 -51.500 75 H8B A2G 10 H8B A2G 10 -32.631 -15.732 -51.681 76 H14 A2G 10 H14 A2G 10 -29.232 -22.435 -48.088 77 H15 A2G 10 H15 A2G 10 -28.925 -22.584 -45.927 Start of MODEL 49 1 H1 ACE 1 H1 ACE 1 -28.465 -8.686 -45.110 2 H2 ACE 1 H2 ACE 1 -29.692 -7.498 -45.552 3 H3 ACE 1 H3 ACE 1 -28.569 -8.101 -46.771 4 HA PRO 2 HA PRO 2 -32.846 -10.375 -46.514 5 HB2 PRO 2 HB2 PRO 2 -32.903 -10.042 -49.375 6 HB3 PRO 2 HB3 PRO 2 -34.011 -9.366 -48.173 7 HG2 PRO 2 HG2 PRO 2 -31.770 -8.105 -49.555 8 HG3 PRO 2 HG3 PRO 2 -33.135 -7.366 -48.707 9 HD2 PRO 2 HD2 PRO 2 -30.572 -7.321 -47.742 10 HD3 PRO 2 HD3 PRO 2 -32.007 -7.278 -46.692 11 H THR 3 H THR 3 -30.867 -10.537 -49.478 12 HA THR 3 HA THR 3 -30.842 -13.449 -49.309 13 HB THR 3 HB THR 3 -30.054 -11.441 -51.403 14 HG1 THR 3 HG1 THR 3 -31.904 -12.078 -52.114 15 HG21 THR 3 HG21 THR 3 -29.463 -13.635 -52.717 16 HG22 THR 3 HG22 THR 3 -29.166 -14.294 -51.109 17 HG23 THR 3 HG23 THR 3 -28.250 -12.896 -51.672 18 H THR 4 H THR 4 -29.129 -14.664 -48.743 19 HA THR 4 HA THR 4 -26.448 -13.517 -48.675 20 HB THR 4 HB THR 4 -27.755 -13.109 -46.431 21 HG1 THR 4 HG1 THR 4 -25.359 -13.114 -47.030 22 HG21 THR 4 HG21 THR 4 -27.870 -14.907 -44.935 23 HG22 THR 4 HG22 THR 4 -26.707 -15.867 -45.851 24 HG23 THR 4 HG23 THR 4 -28.348 -15.651 -46.461 25 H THR 5 H THR 5 -28.278 -15.861 -49.711 26 HA THR 5 HA THR 5 -26.137 -17.839 -49.623 27 HB THR 5 HB THR 5 -28.031 -19.593 -49.096 28 HG21 THR 5 HG21 THR 5 -25.934 -18.696 -47.714 29 HG22 THR 5 HG22 THR 5 -27.132 -19.757 -46.974 30 HG23 THR 5 HG23 THR 5 -27.204 -18.016 -46.697 31 HA PRO 6 HA PRO 6 -27.098 -18.836 -53.762 32 HB2 PRO 6 HB2 PRO 6 -27.799 -21.598 -53.332 33 HB3 PRO 6 HB3 PRO 6 -26.282 -20.939 -53.962 34 HG2 PRO 6 HG2 PRO 6 -26.923 -21.897 -51.279 35 HG3 PRO 6 HG3 PRO 6 -25.347 -21.655 -52.046 36 HD2 PRO 6 HD2 PRO 6 -26.294 -20.052 -50.036 37 HD3 PRO 6 HD3 PRO 6 -25.159 -19.483 -51.282 38 H LEU 7 H LEU 7 -29.021 -17.610 -53.944 39 HA LEU 7 HA LEU 7 -31.563 -18.593 -53.064 40 HB2 LEU 7 HB2 LEU 7 -32.482 -16.704 -54.336 41 HB3 LEU 7 HB3 LEU 7 -31.118 -16.186 -53.345 42 HG LEU 7 HG LEU 7 -29.999 -17.034 -55.789 43 HD11 LEU 7 HD11 LEU 7 -31.210 -15.605 -57.416 44 HD12 LEU 7 HD12 LEU 7 -32.430 -15.262 -56.190 45 HD13 LEU 7 HD13 LEU 7 -32.233 -16.904 -56.804 46 HD21 LEU 7 HD21 LEU 7 -29.513 -14.579 -56.016 47 HD22 LEU 7 HD22 LEU 7 -29.134 -15.221 -54.417 48 HD23 LEU 7 HD23 LEU 7 -30.607 -14.282 -54.663 49 H LYS 8 H LYS 8 -33.294 -18.273 -55.112 50 HA LYS 8 HA LYS 8 -32.475 -19.724 -57.467 51 HB2 LYS 8 HB2 LYS 8 -32.749 -21.533 -55.744 52 HB3 LYS 8 HB3 LYS 8 -34.446 -21.068 -55.606 53 HG2 LYS 8 HG2 LYS 8 -34.891 -22.407 -57.358 54 HG3 LYS 8 HG3 LYS 8 -33.953 -21.308 -58.369 55 HD2 LYS 8 HD2 LYS 8 -33.023 -23.532 -58.618 56 HD3 LYS 8 HD3 LYS 8 -31.880 -22.560 -57.689 57 HE2 LYS 8 HE2 LYS 8 -33.675 -23.690 -55.813 58 HE3 LYS 8 HE3 LYS 8 -33.221 -24.991 -56.915 59 HZ1 LYS 8 HZ1 LYS 8 -31.732 -24.075 -54.832 60 HZ2 LYS 8 HZ2 LYS 8 -31.004 -23.333 -56.177 61 HZ3 LYS 8 HZ3 LYS 8 -31.160 -25.025 -56.116 62 HN1 NH2 9 HN1 NH2 9 -35.230 -18.214 -55.613 63 HN2 NH2 9 HN2 NH2 9 -36.370 -18.784 -56.733 64 H1 A2G 10 H1 A2G 10 -30.026 -19.074 -49.753 65 H2 A2G 10 H2 A2G 10 -32.280 -18.792 -48.783 66 HN2 A2G 10 HN2 A2G 10 -30.777 -16.257 -49.066 67 H3 A2G 10 H3 A2G 10 -30.886 -17.165 -46.642 68 HO3 A2G 10 HO3 A2G 10 -33.419 -17.416 -47.517 69 H4 A2G 10 H4 A2G 10 -31.367 -18.976 -45.118 70 HO4 A2G 10 HO4 A2G 10 -32.771 -20.458 -45.594 71 H5 A2G 10 H5 A2G 10 -29.275 -19.188 -46.408 72 H6 A2G 10 H6 A2G 10 -30.870 -21.639 -45.714 73 H8 A2G 10 H8 A2G 10 -32.727 -15.446 -51.807 74 H8A A2G 10 H8A A2G 10 -32.986 -14.572 -50.297 75 H8B A2G 10 H8B A2G 10 -31.349 -14.986 -50.804 76 H14 A2G 10 H14 A2G 10 -29.281 -21.825 -46.456 77 H15 A2G 10 H15 A2G 10 -28.791 -20.108 -44.690 Start of MODEL 50 1 H1 ACE 1 H1 ACE 1 -27.137 -5.913 -46.257 2 H2 ACE 1 H2 ACE 1 -28.212 -5.443 -44.940 3 H3 ACE 1 H3 ACE 1 -28.494 -4.832 -46.570 4 HA PRO 2 HA PRO 2 -31.201 -8.023 -47.847 5 HB2 PRO 2 HB2 PRO 2 -29.463 -9.384 -49.697 6 HB3 PRO 2 HB3 PRO 2 -30.772 -8.249 -50.058 7 HG2 PRO 2 HG2 PRO 2 -27.889 -7.800 -49.976 8 HG3 PRO 2 HG3 PRO 2 -29.161 -6.838 -50.742 9 HD2 PRO 2 HD2 PRO 2 -27.804 -6.016 -48.508 10 HD3 PRO 2 HD3 PRO 2 -29.472 -5.516 -48.873 11 H THR 3 H THR 3 -31.336 -10.509 -48.142 12 HA THR 3 HA THR 3 -29.310 -12.008 -46.676 13 HB THR 3 HB THR 3 -31.765 -12.800 -45.507 14 HG1 THR 3 HG1 THR 3 -32.527 -10.727 -46.066 15 HG21 THR 3 HG21 THR 3 -30.623 -12.073 -43.437 16 HG22 THR 3 HG22 THR 3 -29.426 -11.218 -44.408 17 HG23 THR 3 HG23 THR 3 -29.536 -12.976 -44.491 18 H THR 4 H THR 4 -28.969 -13.385 -48.360 19 HA THR 4 HA THR 4 -31.101 -15.291 -48.940 20 HB THR 4 HB THR 4 -30.961 -13.233 -50.646 21 HG1 THR 4 HG1 THR 4 -32.390 -14.580 -51.357 22 HG21 THR 4 HG21 THR 4 -29.474 -13.583 -52.445 23 HG22 THR 4 HG22 THR 4 -29.121 -15.237 -51.945 24 HG23 THR 4 HG23 THR 4 -28.485 -13.880 -51.016 25 H THR 5 H THR 5 -30.128 -16.933 -50.660 26 HA THR 5 HA THR 5 -27.263 -17.352 -50.278 27 HB THR 5 HB THR 5 -27.978 -19.840 -49.660 28 HG21 THR 5 HG21 THR 5 -28.051 -17.648 -47.572 29 HG22 THR 5 HG22 THR 5 -26.562 -18.199 -48.341 30 HG23 THR 5 HG23 THR 5 -27.513 -19.314 -47.359 31 HA PRO 6 HA PRO 6 -27.117 -18.972 -54.327 32 HB2 PRO 6 HB2 PRO 6 -26.147 -21.594 -53.633 33 HB3 PRO 6 HB3 PRO 6 -25.231 -20.223 -54.275 34 HG2 PRO 6 HG2 PRO 6 -25.445 -21.196 -51.530 35 HG3 PRO 6 HG3 PRO 6 -24.230 -20.139 -52.264 36 HD2 PRO 6 HD2 PRO 6 -26.099 -19.250 -50.469 37 HD3 PRO 6 HD3 PRO 6 -25.388 -18.212 -51.727 38 H LEU 7 H LEU 7 -29.612 -18.995 -53.862 39 HA LEU 7 HA LEU 7 -30.650 -21.416 -54.964 40 HB2 LEU 7 HB2 LEU 7 -30.303 -21.863 -52.413 41 HB3 LEU 7 HB3 LEU 7 -31.737 -20.851 -52.224 42 HG LEU 7 HG LEU 7 -32.655 -22.431 -54.169 43 HD11 LEU 7 HD11 LEU 7 -30.526 -23.677 -54.372 44 HD12 LEU 7 HD12 LEU 7 -31.842 -24.735 -53.861 45 HD13 LEU 7 HD13 LEU 7 -30.660 -24.168 -52.682 46 HD21 LEU 7 HD21 LEU 7 -33.855 -22.286 -52.134 47 HD22 LEU 7 HD22 LEU 7 -32.510 -22.933 -51.195 48 HD23 LEU 7 HD23 LEU 7 -33.438 -23.995 -52.254 49 H LYS 8 H LYS 8 -30.766 -18.839 -55.861 50 HA LYS 8 HA LYS 8 -33.219 -17.549 -55.057 51 HB2 LYS 8 HB2 LYS 8 -31.257 -17.077 -57.303 52 HB3 LYS 8 HB3 LYS 8 -32.730 -16.127 -57.114 53 HG2 LYS 8 HG2 LYS 8 -31.964 -15.055 -55.238 54 HG3 LYS 8 HG3 LYS 8 -31.048 -16.458 -54.685 55 HD2 LYS 8 HD2 LYS 8 -29.347 -16.048 -56.412 56 HD3 LYS 8 HD3 LYS 8 -30.266 -14.662 -57.000 57 HE2 LYS 8 HE2 LYS 8 -30.064 -13.642 -54.709 58 HE3 LYS 8 HE3 LYS 8 -28.984 -14.966 -54.272 59 HZ1 LYS 8 HZ1 LYS 8 -28.278 -13.702 -56.749 60 HZ2 LYS 8 HZ2 LYS 8 -27.310 -14.061 -55.398 61 HZ3 LYS 8 HZ3 LYS 8 -28.232 -12.634 -55.432 62 HN1 NH2 9 HN1 NH2 9 -34.335 -17.894 -58.624 63 HN2 NH2 9 HN2 NH2 9 -35.035 -17.195 -57.244 64 H1 A2G 10 H1 A2G 10 -29.995 -20.119 -50.642 65 H2 A2G 10 H2 A2G 10 -32.189 -20.995 -49.924 66 HN2 A2G 10 HN2 A2G 10 -31.977 -18.046 -49.776 67 H3 A2G 10 H3 A2G 10 -31.815 -19.240 -47.484 68 HO3 A2G 10 HO3 A2G 10 -33.874 -20.669 -48.627 69 H4 A2G 10 H4 A2G 10 -31.524 -21.274 -46.212 70 HO4 A2G 10 HO4 A2G 10 -31.490 -23.280 -47.313 71 H5 A2G 10 H5 A2G 10 -29.485 -20.361 -47.258 72 H6 A2G 10 H6 A2G 10 -29.594 -23.393 -47.399 73 H8 A2G 10 H8 A2G 10 -33.862 -17.818 -52.669 74 H8A A2G 10 H8A A2G 10 -34.593 -17.326 -51.141 75 H8B A2G 10 H8B A2G 10 -32.905 -16.941 -51.475 76 H14 A2G 10 H14 A2G 10 -28.134 -22.418 -47.222 77 H15 A2G 10 H15 A2G 10 -29.702 -21.580 -45.350 Start of MODEL 51 1 H1 ACE 1 H1 ACE 1 -33.691 -11.792 -44.484 2 H2 ACE 1 H2 ACE 1 -32.509 -12.942 -45.110 3 H3 ACE 1 H3 ACE 1 -33.726 -12.254 -46.185 4 HA PRO 2 HA PRO 2 -31.082 -8.311 -44.956 5 HB2 PRO 2 HB2 PRO 2 -28.697 -9.357 -43.727 6 HB3 PRO 2 HB3 PRO 2 -29.895 -8.256 -43.031 7 HG2 PRO 2 HG2 PRO 2 -29.570 -11.132 -42.652 8 HG3 PRO 2 HG3 PRO 2 -30.444 -9.953 -41.663 9 HD2 PRO 2 HD2 PRO 2 -31.701 -11.848 -43.192 10 HD3 PRO 2 HD3 PRO 2 -32.430 -10.275 -42.799 11 H THR 3 H THR 3 -28.729 -10.992 -45.110 12 HA THR 3 HA THR 3 -27.548 -9.828 -47.510 13 HB THR 3 HB THR 3 -25.813 -10.561 -46.199 14 HG1 THR 3 HG1 THR 3 -24.999 -12.263 -47.218 15 HG21 THR 3 HG21 THR 3 -27.672 -12.776 -45.304 16 HG22 THR 3 HG22 THR 3 -27.115 -11.396 -44.356 17 HG23 THR 3 HG23 THR 3 -25.982 -12.669 -44.812 18 H THR 4 H THR 4 -26.945 -11.359 -49.306 19 HA THR 4 HA THR 4 -29.336 -12.846 -50.094 20 HB THR 4 HB THR 4 -27.696 -13.040 -52.233 21 HG1 THR 4 HG1 THR 4 -26.036 -11.905 -51.178 22 HG21 THR 4 HG21 THR 4 -29.345 -10.625 -51.433 23 HG22 THR 4 HG22 THR 4 -29.956 -12.082 -52.217 24 HG23 THR 4 HG23 THR 4 -28.846 -11.016 -53.078 25 H THR 5 H THR 5 -29.050 -14.952 -51.207 26 HA THR 5 HA THR 5 -26.703 -16.504 -50.446 27 HB THR 5 HB THR 5 -28.206 -18.275 -49.401 28 HG21 THR 5 HG21 THR 5 -27.892 -17.372 -47.274 29 HG22 THR 5 HG22 THR 5 -28.331 -15.744 -47.791 30 HG23 THR 5 HG23 THR 5 -26.758 -16.413 -48.225 31 HA PRO 6 HA PRO 6 -27.193 -18.716 -54.176 32 HB2 PRO 6 HB2 PRO 6 -27.487 -21.330 -53.003 33 HB3 PRO 6 HB3 PRO 6 -26.048 -20.622 -53.754 34 HG2 PRO 6 HG2 PRO 6 -26.726 -20.902 -50.928 35 HG3 PRO 6 HG3 PRO 6 -25.156 -20.617 -51.690 36 HD2 PRO 6 HD2 PRO 6 -26.483 -18.709 -50.240 37 HD3 PRO 6 HD3 PRO 6 -25.364 -18.319 -51.565 38 H LEU 7 H LEU 7 -29.101 -18.395 -55.192 39 HA LEU 7 HA LEU 7 -31.636 -19.025 -54.020 40 HB2 LEU 7 HB2 LEU 7 -32.569 -18.312 -56.158 41 HB3 LEU 7 HB3 LEU 7 -31.318 -17.179 -55.645 42 HG LEU 7 HG LEU 7 -29.926 -19.122 -57.088 43 HD11 LEU 7 HD11 LEU 7 -31.137 -19.250 -59.229 44 HD12 LEU 7 HD12 LEU 7 -32.492 -18.369 -58.522 45 HD13 LEU 7 HD13 LEU 7 -32.086 -19.982 -57.935 46 HD21 LEU 7 HD21 LEU 7 -29.665 -17.294 -58.741 47 HD22 LEU 7 HD22 LEU 7 -29.513 -16.692 -57.090 48 HD23 LEU 7 HD23 LEU 7 -31.008 -16.433 -57.989 49 H LYS 8 H LYS 8 -33.249 -20.418 -55.174 50 HA LYS 8 HA LYS 8 -32.143 -23.062 -55.514 51 HB2 LYS 8 HB2 LYS 8 -35.000 -22.149 -55.910 52 HB3 LYS 8 HB3 LYS 8 -34.439 -23.798 -55.635 53 HG2 LYS 8 HG2 LYS 8 -33.356 -22.309 -53.519 54 HG3 LYS 8 HG3 LYS 8 -35.007 -21.713 -53.696 55 HD2 LYS 8 HD2 LYS 8 -35.095 -23.591 -52.194 56 HD3 LYS 8 HD3 LYS 8 -35.772 -24.125 -53.733 57 HE2 LYS 8 HE2 LYS 8 -33.009 -24.585 -53.951 58 HE3 LYS 8 HE3 LYS 8 -33.437 -25.116 -52.324 59 HZ1 LYS 8 HZ1 LYS 8 -34.227 -26.199 -54.894 60 HZ2 LYS 8 HZ2 LYS 8 -35.467 -26.109 -53.736 61 HZ3 LYS 8 HZ3 LYS 8 -34.045 -26.976 -53.399 62 HN1 NH2 9 HN1 NH2 9 -30.952 -23.028 -57.703 63 HN2 NH2 9 HN2 NH2 9 -32.075 -23.656 -58.810 64 H1 A2G 10 H1 A2G 10 -30.040 -18.452 -50.743 65 H2 A2G 10 H2 A2G 10 -32.455 -18.702 -50.285 66 HN2 A2G 10 HN2 A2G 10 -31.655 -15.907 -50.848 67 H3 A2G 10 H3 A2G 10 -32.076 -16.397 -48.357 68 HO3 A2G 10 HO3 A2G 10 -34.105 -16.521 -49.344 69 H4 A2G 10 H4 A2G 10 -32.424 -17.988 -46.572 70 HO4 A2G 10 HO4 A2G 10 -33.690 -19.349 -48.251 71 H5 A2G 10 H5 A2G 10 -30.104 -17.774 -47.381 72 H6 A2G 10 H6 A2G 10 -30.915 -20.619 -46.698 73 H8 A2G 10 H8 A2G 10 -32.627 -16.148 -54.006 74 H8A A2G 10 H8A A2G 10 -33.962 -15.451 -53.086 75 H8B A2G 10 H8B A2G 10 -32.299 -15.008 -52.701 76 H14 A2G 10 H14 A2G 10 -29.269 -19.991 -46.605 77 H15 A2G 10 H15 A2G 10 -31.443 -18.792 -45.257 Start of MODEL 52 1 H1 ACE 1 H1 ACE 1 -31.677 -7.844 -42.883 2 H2 ACE 1 H2 ACE 1 -32.456 -7.212 -44.333 3 H3 ACE 1 H3 ACE 1 -30.859 -6.628 -43.864 4 HA PRO 2 HA PRO 2 -29.980 -11.342 -44.893 5 HB2 PRO 2 HB2 PRO 2 -32.332 -12.260 -46.278 6 HB3 PRO 2 HB3 PRO 2 -31.630 -12.888 -44.780 7 HG2 PRO 2 HG2 PRO 2 -33.909 -11.103 -45.161 8 HG3 PRO 2 HG3 PRO 2 -33.460 -12.081 -43.756 9 HD2 PRO 2 HD2 PRO 2 -33.272 -9.348 -43.798 10 HD3 PRO 2 HD3 PRO 2 -32.222 -10.379 -42.800 11 H THR 3 H THR 3 -28.784 -11.540 -46.709 12 HA THR 3 HA THR 3 -29.415 -9.838 -48.993 13 HB THR 3 HB THR 3 -27.160 -10.629 -49.799 14 HG1 THR 3 HG1 THR 3 -27.395 -12.577 -48.381 15 HG21 THR 3 HG21 THR 3 -27.402 -9.375 -47.052 16 HG22 THR 3 HG22 THR 3 -27.328 -8.534 -48.602 17 HG23 THR 3 HG23 THR 3 -25.912 -9.395 -47.996 18 H THR 4 H THR 4 -27.627 -12.651 -49.715 19 HA THR 4 HA THR 4 -29.922 -14.156 -50.702 20 HB THR 4 HB THR 4 -29.003 -14.243 -53.009 21 HG1 THR 4 HG1 THR 4 -27.232 -13.197 -53.493 22 HG21 THR 4 HG21 THR 4 -29.911 -12.148 -53.694 23 HG22 THR 4 HG22 THR 4 -29.480 -11.381 -52.167 24 HG23 THR 4 HG23 THR 4 -30.774 -12.579 -52.218 25 H THR 5 H THR 5 -29.354 -16.301 -51.407 26 HA THR 5 HA THR 5 -26.618 -17.197 -50.916 27 HB THR 5 HB THR 5 -27.957 -19.125 -49.525 28 HG21 THR 5 HG21 THR 5 -27.082 -16.669 -48.049 29 HG22 THR 5 HG22 THR 5 -25.893 -17.538 -49.020 30 HG23 THR 5 HG23 THR 5 -26.732 -18.364 -47.707 31 HA PRO 6 HA PRO 6 -27.112 -20.026 -54.188 32 HB2 PRO 6 HB2 PRO 6 -26.674 -22.436 -52.672 33 HB3 PRO 6 HB3 PRO 6 -25.535 -21.582 -53.725 34 HG2 PRO 6 HG2 PRO 6 -25.757 -21.555 -50.814 35 HG3 PRO 6 HG3 PRO 6 -24.400 -21.087 -51.848 36 HD2 PRO 6 HD2 PRO 6 -25.907 -19.279 -50.447 37 HD3 PRO 6 HD3 PRO 6 -25.083 -18.883 -51.973 38 H LEU 7 H LEU 7 -29.535 -19.262 -53.350 39 HA LEU 7 HA LEU 7 -31.182 -21.435 -52.436 40 HB2 LEU 7 HB2 LEU 7 -31.562 -18.837 -52.276 41 HB3 LEU 7 HB3 LEU 7 -32.288 -19.048 -53.870 42 HG LEU 7 HG LEU 7 -34.024 -19.268 -52.175 43 HD11 LEU 7 HD11 LEU 7 -34.950 -21.334 -52.888 44 HD12 LEU 7 HD12 LEU 7 -33.361 -22.075 -53.072 45 HD13 LEU 7 HD13 LEU 7 -33.895 -20.841 -54.213 46 HD21 LEU 7 HD21 LEU 7 -32.918 -21.744 -51.002 47 HD22 LEU 7 HD22 LEU 7 -33.753 -20.404 -50.217 48 HD23 LEU 7 HD23 LEU 7 -32.032 -20.278 -50.584 49 H LYS 8 H LYS 8 -31.727 -19.561 -55.396 50 HA LYS 8 HA LYS 8 -32.761 -21.894 -56.745 51 HB2 LYS 8 HB2 LYS 8 -32.235 -19.096 -57.775 52 HB3 LYS 8 HB3 LYS 8 -33.144 -20.348 -58.622 53 HG2 LYS 8 HG2 LYS 8 -34.613 -20.449 -56.498 54 HG3 LYS 8 HG3 LYS 8 -33.870 -18.907 -56.072 55 HD2 LYS 8 HD2 LYS 8 -35.383 -19.502 -58.633 56 HD3 LYS 8 HD3 LYS 8 -35.971 -18.526 -57.286 57 HE2 LYS 8 HE2 LYS 8 -33.669 -17.235 -57.715 58 HE3 LYS 8 HE3 LYS 8 -33.906 -17.875 -59.341 59 HZ1 LYS 8 HZ1 LYS 8 -36.139 -16.915 -59.331 60 HZ2 LYS 8 HZ2 LYS 8 -34.944 -15.724 -59.125 61 HZ3 LYS 8 HZ3 LYS 8 -35.857 -16.256 -57.794 62 HN1 NH2 9 HN1 NH2 9 -31.107 -20.101 -59.072 63 HN2 NH2 9 HN2 NH2 9 -29.928 -21.283 -59.380 64 H1 A2G 10 H1 A2G 10 -30.104 -19.092 -49.961 65 H2 A2G 10 H2 A2G 10 -32.211 -18.836 -48.698 66 HN2 A2G 10 HN2 A2G 10 -31.251 -16.326 -49.939 67 H3 A2G 10 H3 A2G 10 -30.847 -16.472 -47.385 68 HO3 A2G 10 HO3 A2G 10 -32.895 -16.034 -47.174 69 H4 A2G 10 H4 A2G 10 -30.770 -17.790 -45.362 70 HO4 A2G 10 HO4 A2G 10 -31.530 -20.146 -46.557 71 H5 A2G 10 H5 A2G 10 -28.879 -18.097 -46.916 72 H6 A2G 10 H6 A2G 10 -29.887 -20.369 -45.244 73 H8 A2G 10 H8 A2G 10 -33.710 -16.665 -52.376 74 H8A A2G 10 H8A A2G 10 -33.816 -15.377 -51.175 75 H8B A2G 10 H8B A2G 10 -32.255 -15.798 -51.881 76 H14 A2G 10 H14 A2G 10 -28.465 -20.645 -46.251 77 H15 A2G 10 H15 A2G 10 -27.354 -19.532 -44.888 Start of MODEL 53 1 H1 ACE 1 H1 ACE 1 -27.305 -6.105 -47.979 2 H2 ACE 1 H2 ACE 1 -27.000 -5.688 -46.292 3 H3 ACE 1 H3 ACE 1 -28.285 -4.874 -47.185 4 HA PRO 2 HA PRO 2 -31.122 -8.156 -46.328 5 HB2 PRO 2 HB2 PRO 2 -31.533 -9.303 -48.941 6 HB3 PRO 2 HB3 PRO 2 -32.531 -8.107 -48.099 7 HG2 PRO 2 HG2 PRO 2 -31.026 -7.632 -50.366 8 HG3 PRO 2 HG3 PRO 2 -31.649 -6.397 -49.263 9 HD2 PRO 2 HD2 PRO 2 -28.884 -7.489 -49.498 10 HD3 PRO 2 HD3 PRO 2 -29.424 -5.873 -48.990 11 H THR 3 H THR 3 -31.568 -10.469 -46.138 12 HA THR 3 HA THR 3 -29.107 -12.035 -46.192 13 HB THR 3 HB THR 3 -31.779 -13.016 -45.216 14 HG1 THR 3 HG1 THR 3 -30.114 -11.046 -44.177 15 HG21 THR 3 HG21 THR 3 -29.578 -14.403 -45.425 16 HG22 THR 3 HG22 THR 3 -30.504 -14.499 -43.926 17 HG23 THR 3 HG23 THR 3 -29.065 -13.484 -44.010 18 H THR 4 H THR 4 -28.609 -13.233 -47.902 19 HA THR 4 HA THR 4 -30.669 -14.836 -49.207 20 HB THR 4 HB THR 4 -29.011 -13.564 -51.228 21 HG1 THR 4 HG1 THR 4 -30.851 -11.908 -49.861 22 HG21 THR 4 HG21 THR 4 -32.010 -13.530 -50.828 23 HG22 THR 4 HG22 THR 4 -31.139 -14.902 -51.513 24 HG23 THR 4 HG23 THR 4 -31.129 -13.348 -52.345 25 H THR 5 H THR 5 -29.766 -16.490 -50.599 26 HA THR 5 HA THR 5 -26.878 -16.907 -50.469 27 HB THR 5 HB THR 5 -27.711 -19.404 -49.746 28 HG21 THR 5 HG21 THR 5 -25.951 -17.648 -48.801 29 HG22 THR 5 HG22 THR 5 -26.479 -19.017 -47.824 30 HG23 THR 5 HG23 THR 5 -27.189 -17.424 -47.566 31 HA PRO 6 HA PRO 6 -27.092 -18.627 -54.463 32 HB2 PRO 6 HB2 PRO 6 -26.085 -21.244 -53.803 33 HB3 PRO 6 HB3 PRO 6 -25.217 -19.893 -54.548 34 HG2 PRO 6 HG2 PRO 6 -25.203 -20.812 -51.776 35 HG3 PRO 6 HG3 PRO 6 -24.048 -19.780 -52.631 36 HD2 PRO 6 HD2 PRO 6 -25.750 -18.842 -50.700 37 HD3 PRO 6 HD3 PRO 6 -25.142 -17.835 -52.034 38 H LEU 7 H LEU 7 -29.537 -18.680 -53.346 39 HA LEU 7 HA LEU 7 -30.660 -21.322 -53.173 40 HB2 LEU 7 HB2 LEU 7 -31.499 -19.053 -52.143 41 HB3 LEU 7 HB3 LEU 7 -32.317 -18.883 -53.696 42 HG LEU 7 HG LEU 7 -33.819 -19.992 -52.131 43 HD11 LEU 7 HD11 LEU 7 -34.403 -21.863 -53.470 44 HD12 LEU 7 HD12 LEU 7 -32.727 -22.159 -53.933 45 HD13 LEU 7 HD13 LEU 7 -33.587 -20.762 -54.580 46 HD21 LEU 7 HD21 LEU 7 -32.170 -22.431 -51.880 47 HD22 LEU 7 HD22 LEU 7 -33.160 -21.612 -50.670 48 HD23 LEU 7 HD23 LEU 7 -31.533 -21.027 -51.022 49 H LYS 8 H LYS 8 -31.812 -18.747 -55.320 50 HA LYS 8 HA LYS 8 -32.514 -20.679 -57.347 51 HB2 LYS 8 HB2 LYS 8 -33.690 -18.416 -56.695 52 HB3 LYS 8 HB3 LYS 8 -32.535 -17.724 -57.834 53 HG2 LYS 8 HG2 LYS 8 -34.280 -18.234 -59.275 54 HG3 LYS 8 HG3 LYS 8 -33.346 -19.727 -59.369 55 HD2 LYS 8 HD2 LYS 8 -35.432 -20.613 -58.916 56 HD3 LYS 8 HD3 LYS 8 -34.851 -20.377 -57.267 57 HE2 LYS 8 HE2 LYS 8 -35.952 -18.125 -57.259 58 HE3 LYS 8 HE3 LYS 8 -36.634 -18.497 -58.842 59 HZ1 LYS 8 HZ1 LYS 8 -37.403 -19.456 -56.236 60 HZ2 LYS 8 HZ2 LYS 8 -37.272 -20.683 -57.405 61 HZ3 LYS 8 HZ3 LYS 8 -38.308 -19.362 -57.668 62 HN1 NH2 9 HN1 NH2 9 -30.195 -17.862 -57.368 63 HN2 NH2 9 HN2 NH2 9 -29.615 -18.259 -58.912 64 H1 A2G 10 H1 A2G 10 -29.847 -19.710 -50.069 65 H2 A2G 10 H2 A2G 10 -31.837 -20.285 -48.723 66 HN2 A2G 10 HN2 A2G 10 -31.502 -17.378 -49.174 67 H3 A2G 10 H3 A2G 10 -30.841 -18.168 -46.798 68 HO3 A2G 10 HO3 A2G 10 -33.039 -18.344 -46.769 69 H4 A2G 10 H4 A2G 10 -30.322 -19.969 -45.273 70 HO4 A2G 10 HO4 A2G 10 -31.793 -21.390 -47.109 71 H5 A2G 10 H5 A2G 10 -28.560 -19.403 -46.905 72 H6 A2G 10 H6 A2G 10 -28.914 -22.014 -45.661 73 H8 A2G 10 H8 A2G 10 -34.210 -17.502 -51.419 74 H8A A2G 10 H8A A2G 10 -34.207 -16.611 -49.897 75 H8B A2G 10 H8B A2G 10 -32.781 -16.590 -50.934 76 H14 A2G 10 H14 A2G 10 -27.888 -22.116 -47.093 77 H15 A2G 10 H15 A2G 10 -26.528 -21.564 -45.492 Start of MODEL 54 1 H1 ACE 1 H1 ACE 1 -29.044 -10.357 -40.768 2 H2 ACE 1 H2 ACE 1 -30.667 -10.607 -41.411 3 H3 ACE 1 H3 ACE 1 -30.116 -8.979 -41.016 4 HA PRO 2 HA PRO 2 -27.125 -10.219 -44.698 5 HB2 PRO 2 HB2 PRO 2 -28.305 -12.573 -45.866 6 HB3 PRO 2 HB3 PRO 2 -26.689 -12.390 -45.167 7 HG2 PRO 2 HG2 PRO 2 -29.097 -13.564 -44.006 8 HG3 PRO 2 HG3 PRO 2 -27.403 -13.757 -43.530 9 HD2 PRO 2 HD2 PRO 2 -29.224 -12.352 -42.042 10 HD3 PRO 2 HD3 PRO 2 -27.482 -11.991 -42.042 11 H THR 3 H THR 3 -27.561 -10.113 -47.093 12 HA THR 3 HA THR 3 -30.108 -8.762 -47.540 13 HB THR 3 HB THR 3 -28.682 -7.471 -48.716 14 HG1 THR 3 HG1 THR 3 -28.091 -8.515 -50.818 15 HG21 THR 3 HG21 THR 3 -26.829 -9.868 -48.762 16 HG22 THR 3 HG22 THR 3 -26.732 -8.477 -47.680 17 HG23 THR 3 HG23 THR 3 -26.411 -8.280 -49.403 18 H THR 4 H THR 4 -28.252 -11.454 -48.957 19 HA THR 4 HA THR 4 -30.752 -12.780 -49.671 20 HB THR 4 HB THR 4 -29.214 -13.084 -51.986 21 HG1 THR 4 HG1 THR 4 -28.206 -11.282 -52.239 22 HG21 THR 4 HG21 THR 4 -31.071 -11.805 -53.020 23 HG22 THR 4 HG22 THR 4 -31.594 -11.297 -51.413 24 HG23 THR 4 HG23 THR 4 -31.659 -13.001 -51.863 25 H THR 5 H THR 5 -30.035 -14.899 -50.986 26 HA THR 5 HA THR 5 -27.554 -16.016 -49.912 27 HB THR 5 HB THR 5 -28.826 -18.046 -49.098 28 HG21 THR 5 HG21 THR 5 -28.886 -17.161 -46.979 29 HG22 THR 5 HG22 THR 5 -29.789 -15.735 -47.492 30 HG23 THR 5 HG23 THR 5 -28.053 -15.833 -47.785 31 HA PRO 6 HA PRO 6 -27.101 -18.164 -53.693 32 HB2 PRO 6 HB2 PRO 6 -27.018 -20.812 -52.558 33 HB3 PRO 6 HB3 PRO 6 -25.664 -19.819 -53.119 34 HG2 PRO 6 HG2 PRO 6 -26.628 -20.289 -50.402 35 HG3 PRO 6 HG3 PRO 6 -25.060 -19.682 -50.957 36 HD2 PRO 6 HD2 PRO 6 -26.912 -18.105 -49.697 37 HD3 PRO 6 HD3 PRO 6 -25.735 -17.474 -50.872 38 H LEU 7 H LEU 7 -28.953 -18.112 -54.877 39 HA LEU 7 HA LEU 7 -31.398 -19.347 -54.041 40 HB2 LEU 7 HB2 LEU 7 -32.250 -18.664 -56.219 41 HB3 LEU 7 HB3 LEU 7 -31.313 -17.346 -55.512 42 HG LEU 7 HG LEU 7 -29.415 -18.842 -56.901 43 HD11 LEU 7 HD11 LEU 7 -31.830 -18.458 -58.687 44 HD12 LEU 7 HD12 LEU 7 -31.420 -20.010 -57.953 45 HD13 LEU 7 HD13 LEU 7 -30.306 -19.249 -59.089 46 HD21 LEU 7 HD21 LEU 7 -30.972 -16.385 -57.770 47 HD22 LEU 7 HD22 LEU 7 -29.421 -16.892 -58.438 48 HD23 LEU 7 HD23 LEU 7 -29.533 -16.389 -56.751 49 H LYS 8 H LYS 8 -32.556 -20.908 -55.534 50 HA LYS 8 HA LYS 8 -30.909 -23.259 -55.839 51 HB2 LYS 8 HB2 LYS 8 -33.831 -22.644 -56.142 52 HB3 LYS 8 HB3 LYS 8 -33.179 -24.155 -56.778 53 HG2 LYS 8 HG2 LYS 8 -32.256 -24.705 -54.565 54 HG3 LYS 8 HG3 LYS 8 -32.878 -23.186 -53.920 55 HD2 LYS 8 HD2 LYS 8 -35.173 -23.881 -54.409 56 HD3 LYS 8 HD3 LYS 8 -34.584 -25.376 -55.138 57 HE2 LYS 8 HE2 LYS 8 -33.431 -25.098 -52.520 58 HE3 LYS 8 HE3 LYS 8 -35.180 -24.904 -52.402 59 HZ1 LYS 8 HZ1 LYS 8 -34.889 -26.977 -54.125 60 HZ2 LYS 8 HZ2 LYS 8 -35.243 -27.114 -52.469 61 HZ3 LYS 8 HZ3 LYS 8 -33.639 -27.246 -53.012 62 HN1 NH2 9 HN1 NH2 9 -32.346 -22.872 -59.550 63 HN2 NH2 9 HN2 NH2 9 -33.265 -22.100 -58.351 64 H1 A2G 10 H1 A2G 10 -30.473 -18.588 -50.707 65 H2 A2G 10 H2 A2G 10 -32.776 -19.376 -50.436 66 HN2 A2G 10 HN2 A2G 10 -32.719 -16.443 -50.829 67 H3 A2G 10 H3 A2G 10 -33.090 -17.125 -48.437 68 HO3 A2G 10 HO3 A2G 10 -35.022 -17.521 -49.295 69 H4 A2G 10 H4 A2G 10 -33.181 -18.806 -46.714 70 HO4 A2G 10 HO4 A2G 10 -34.142 -20.415 -48.074 71 H5 A2G 10 H5 A2G 10 -30.916 -18.065 -47.309 72 H6 A2G 10 H6 A2G 10 -30.868 -21.067 -46.939 73 H8 A2G 10 H8 A2G 10 -33.000 -16.606 -54.075 74 H8A A2G 10 H8A A2G 10 -34.661 -16.695 -53.489 75 H8B A2G 10 H8B A2G 10 -33.496 -15.646 -52.682 76 H14 A2G 10 H14 A2G 10 -29.705 -19.886 -46.338 77 H15 A2G 10 H15 A2G 10 -31.725 -18.997 -45.256 Start of MODEL 55 1 H1 ACE 1 H1 ACE 1 -30.648 -8.354 -50.475 2 H2 ACE 1 H2 ACE 1 -29.071 -7.607 -50.729 3 H3 ACE 1 H3 ACE 1 -30.399 -6.657 -50.065 4 HA PRO 2 HA PRO 2 -29.506 -7.435 -45.852 5 HB2 PRO 2 HB2 PRO 2 -31.734 -9.151 -45.228 6 HB3 PRO 2 HB3 PRO 2 -31.540 -7.430 -44.859 7 HG2 PRO 2 HG2 PRO 2 -33.056 -8.715 -46.998 8 HG3 PRO 2 HG3 PRO 2 -33.191 -7.076 -46.344 9 HD2 PRO 2 HD2 PRO 2 -32.171 -7.616 -48.830 10 HD3 PRO 2 HD3 PRO 2 -31.686 -6.203 -47.865 11 H THR 3 H THR 3 -30.909 -10.401 -47.273 12 HA THR 3 HA THR 3 -28.475 -11.879 -46.641 13 HB THR 3 HB THR 3 -31.000 -13.159 -45.704 14 HG1 THR 3 HG1 THR 3 -30.381 -12.139 -43.600 15 HG21 THR 3 HG21 THR 3 -29.536 -14.382 -44.337 16 HG22 THR 3 HG22 THR 3 -28.296 -13.130 -44.381 17 HG23 THR 3 HG23 THR 3 -28.587 -14.134 -45.802 18 H THR 4 H THR 4 -28.030 -13.223 -48.265 19 HA THR 4 HA THR 4 -30.177 -14.541 -49.735 20 HB THR 4 HB THR 4 -28.583 -13.671 -51.817 21 HG1 THR 4 HG1 THR 4 -28.817 -11.721 -49.805 22 HG21 THR 4 HG21 THR 4 -30.553 -12.176 -52.308 23 HG22 THR 4 HG22 THR 4 -31.185 -12.585 -50.713 24 HG23 THR 4 HG23 THR 4 -30.988 -13.843 -51.933 25 H THR 5 H THR 5 -29.533 -16.437 -50.722 26 HA THR 5 HA THR 5 -26.691 -17.110 -50.819 27 HB THR 5 HB THR 5 -27.555 -19.389 -49.664 28 HG21 THR 5 HG21 THR 5 -26.423 -18.651 -47.677 29 HG22 THR 5 HG22 THR 5 -26.762 -16.959 -48.042 30 HG23 THR 5 HG23 THR 5 -25.622 -17.864 -49.038 31 HA PRO 6 HA PRO 6 -27.490 -19.314 -54.489 32 HB2 PRO 6 HB2 PRO 6 -26.624 -21.903 -53.569 33 HB3 PRO 6 HB3 PRO 6 -25.743 -20.749 -54.581 34 HG2 PRO 6 HG2 PRO 6 -25.487 -21.288 -51.723 35 HG3 PRO 6 HG3 PRO 6 -24.359 -20.491 -52.829 36 HD2 PRO 6 HD2 PRO 6 -25.752 -19.150 -50.889 37 HD3 PRO 6 HD3 PRO 6 -25.223 -18.390 -52.407 38 H LEU 7 H LEU 7 -29.827 -18.980 -53.430 39 HA LEU 7 HA LEU 7 -31.150 -21.378 -52.552 40 HB2 LEU 7 HB2 LEU 7 -31.884 -19.077 -51.913 41 HB3 LEU 7 HB3 LEU 7 -32.375 -18.810 -53.586 42 HG LEU 7 HG LEU 7 -33.810 -20.905 -53.367 43 HD11 LEU 7 HD11 LEU 7 -32.527 -20.842 -50.757 44 HD12 LEU 7 HD12 LEU 7 -33.472 -22.131 -51.503 45 HD13 LEU 7 HD13 LEU 7 -34.284 -20.849 -50.606 46 HD21 LEU 7 HD21 LEU 7 -35.212 -19.394 -51.460 47 HD22 LEU 7 HD22 LEU 7 -35.346 -19.257 -53.213 48 HD23 LEU 7 HD23 LEU 7 -34.225 -18.221 -52.331 49 H LYS 8 H LYS 8 -32.847 -19.610 -54.952 50 HA LYS 8 HA LYS 8 -33.186 -21.984 -56.560 51 HB2 LYS 8 HB2 LYS 8 -34.802 -20.732 -57.775 52 HB3 LYS 8 HB3 LYS 8 -34.972 -20.227 -56.092 53 HG2 LYS 8 HG2 LYS 8 -34.833 -18.132 -57.003 54 HG3 LYS 8 HG3 LYS 8 -33.100 -18.451 -56.920 55 HD2 LYS 8 HD2 LYS 8 -33.748 -19.651 -59.293 56 HD3 LYS 8 HD3 LYS 8 -34.872 -18.292 -59.276 57 HE2 LYS 8 HE2 LYS 8 -31.871 -18.106 -58.879 58 HE3 LYS 8 HE3 LYS 8 -32.745 -17.645 -60.338 59 HZ1 LYS 8 HZ1 LYS 8 -32.822 -15.644 -59.380 60 HZ2 LYS 8 HZ2 LYS 8 -32.483 -16.248 -57.828 61 HZ3 LYS 8 HZ3 LYS 8 -34.070 -16.294 -58.432 62 HN1 NH2 9 HN1 NH2 9 -32.134 -22.256 -58.848 63 HN2 NH2 9 HN2 NH2 9 -32.043 -20.780 -59.681 64 H1 A2G 10 H1 A2G 10 -29.799 -19.374 -50.102 65 H2 A2G 10 H2 A2G 10 -31.837 -19.724 -48.764 66 HN2 A2G 10 HN2 A2G 10 -31.176 -16.848 -49.000 67 H3 A2G 10 H3 A2G 10 -30.581 -17.837 -46.757 68 HO3 A2G 10 HO3 A2G 10 -33.038 -19.086 -47.114 69 H4 A2G 10 H4 A2G 10 -30.267 -19.744 -45.312 70 HO4 A2G 10 HO4 A2G 10 -30.831 -21.717 -47.057 71 H5 A2G 10 H5 A2G 10 -28.455 -19.357 -46.940 72 H6 A2G 10 H6 A2G 10 -29.041 -22.322 -46.679 73 H8 A2G 10 H8 A2G 10 -33.038 -16.465 -51.656 74 H8A A2G 10 H8A A2G 10 -34.111 -16.108 -50.303 75 H8B A2G 10 H8B A2G 10 -32.423 -15.604 -50.245 76 H14 A2G 10 H14 A2G 10 -27.456 -21.570 -46.867 77 H15 A2G 10 H15 A2G 10 -27.694 -21.915 -44.720 Start of MODEL 56 1 H1 ACE 1 H1 ACE 1 -32.880 -8.636 -43.415 2 H2 ACE 1 H2 ACE 1 -32.839 -9.729 -44.798 3 H3 ACE 1 H3 ACE 1 -33.264 -8.032 -45.027 4 HA PRO 2 HA PRO 2 -28.599 -7.738 -43.546 5 HB2 PRO 2 HB2 PRO 2 -27.575 -10.423 -43.741 6 HB3 PRO 2 HB3 PRO 2 -27.660 -9.384 -42.310 7 HG2 PRO 2 HG2 PRO 2 -29.410 -11.574 -43.126 8 HG3 PRO 2 HG3 PRO 2 -29.201 -10.826 -41.536 9 HD2 PRO 2 HD2 PRO 2 -31.453 -10.497 -43.059 10 HD3 PRO 2 HD3 PRO 2 -30.882 -9.282 -41.894 11 H THR 3 H THR 3 -29.024 -10.643 -45.593 12 HA THR 3 HA THR 3 -28.184 -9.148 -47.950 13 HB THR 3 HB THR 3 -26.669 -11.645 -47.194 14 HG1 THR 3 HG1 THR 3 -25.655 -10.432 -45.833 15 HG21 THR 3 HG21 THR 3 -25.540 -9.536 -48.933 16 HG22 THR 3 HG22 THR 3 -26.936 -10.386 -49.591 17 HG23 THR 3 HG23 THR 3 -25.497 -11.289 -49.116 18 H THR 4 H THR 4 -27.457 -12.154 -48.756 19 HA THR 4 HA THR 4 -30.152 -13.240 -49.008 20 HB THR 4 HB THR 4 -28.800 -13.228 -51.601 21 HG1 THR 4 HG1 THR 4 -29.793 -10.787 -50.564 22 HG21 THR 4 HG21 THR 4 -31.187 -13.899 -51.020 23 HG22 THR 4 HG22 THR 4 -31.017 -12.792 -52.383 24 HG23 THR 4 HG23 THR 4 -31.523 -12.181 -50.808 25 H THR 5 H THR 5 -29.745 -15.205 -50.816 26 HA THR 5 HA THR 5 -27.269 -16.608 -50.146 27 HB THR 5 HB THR 5 -28.607 -18.654 -49.487 28 HG21 THR 5 HG21 THR 5 -29.275 -16.495 -47.537 29 HG22 THR 5 HG22 THR 5 -27.575 -16.732 -47.944 30 HG23 THR 5 HG23 THR 5 -28.511 -18.060 -47.260 31 HA PRO 6 HA PRO 6 -27.268 -18.199 -54.210 32 HB2 PRO 6 HB2 PRO 6 -27.289 -20.987 -53.484 33 HB3 PRO 6 HB3 PRO 6 -25.914 -20.001 -54.005 34 HG2 PRO 6 HG2 PRO 6 -26.705 -20.819 -51.316 35 HG3 PRO 6 HG3 PRO 6 -25.144 -20.230 -51.905 36 HD2 PRO 6 HD2 PRO 6 -26.784 -18.756 -50.278 37 HD3 PRO 6 HD3 PRO 6 -25.651 -18.025 -51.437 38 H LEU 7 H LEU 7 -28.933 -18.361 -55.596 39 HA LEU 7 HA LEU 7 -31.560 -19.068 -54.709 40 HB2 LEU 7 HB2 LEU 7 -30.669 -18.782 -57.579 41 HB3 LEU 7 HB3 LEU 7 -32.275 -18.501 -56.903 42 HG LEU 7 HG LEU 7 -30.703 -16.808 -55.398 43 HD11 LEU 7 HD11 LEU 7 -29.157 -15.691 -56.813 44 HD12 LEU 7 HD12 LEU 7 -29.786 -16.482 -58.258 45 HD13 LEU 7 HD13 LEU 7 -28.849 -17.407 -57.084 46 HD21 LEU 7 HD21 LEU 7 -32.900 -16.311 -56.424 47 HD22 LEU 7 HD22 LEU 7 -32.133 -16.206 -58.008 48 HD23 LEU 7 HD23 LEU 7 -31.738 -15.026 -56.758 49 H LYS 8 H LYS 8 -32.792 -20.867 -55.202 50 HA LYS 8 HA LYS 8 -31.322 -23.312 -55.638 51 HB2 LYS 8 HB2 LYS 8 -33.865 -22.556 -54.541 52 HB3 LYS 8 HB3 LYS 8 -34.105 -23.805 -55.764 53 HG2 LYS 8 HG2 LYS 8 -32.389 -25.206 -54.676 54 HG3 LYS 8 HG3 LYS 8 -32.149 -23.961 -53.451 55 HD2 LYS 8 HD2 LYS 8 -33.768 -24.993 -52.263 56 HD3 LYS 8 HD3 LYS 8 -34.905 -24.365 -53.457 57 HE2 LYS 8 HE2 LYS 8 -35.187 -26.788 -53.245 58 HE3 LYS 8 HE3 LYS 8 -34.539 -26.400 -54.839 59 HZ1 LYS 8 HZ1 LYS 8 -32.620 -27.423 -54.394 60 HZ2 LYS 8 HZ2 LYS 8 -33.472 -28.193 -53.141 61 HZ3 LYS 8 HZ3 LYS 8 -32.531 -26.816 -52.813 62 HN1 NH2 9 HN1 NH2 9 -34.404 -23.021 -57.923 63 HN2 NH2 9 HN2 NH2 9 -33.569 -21.600 -58.326 64 H1 A2G 10 H1 A2G 10 -30.304 -18.886 -51.007 65 H2 A2G 10 H2 A2G 10 -32.678 -19.524 -50.767 66 HN2 A2G 10 HN2 A2G 10 -32.372 -16.581 -50.873 67 H3 A2G 10 H3 A2G 10 -32.752 -17.461 -48.549 68 HO3 A2G 10 HO3 A2G 10 -34.844 -18.457 -48.291 69 H4 A2G 10 H4 A2G 10 -32.966 -19.305 -47.002 70 HO4 A2G 10 HO4 A2G 10 -33.117 -21.374 -47.680 71 H5 A2G 10 H5 A2G 10 -30.659 -18.670 -47.602 72 H6 A2G 10 H6 A2G 10 -30.828 -21.690 -47.482 73 H8 A2G 10 H8 A2G 10 -32.642 -16.479 -54.118 74 H8A A2G 10 H8A A2G 10 -34.301 -16.318 -53.541 75 H8B A2G 10 H8B A2G 10 -32.983 -15.543 -52.662 76 H14 A2G 10 H14 A2G 10 -29.574 -20.649 -46.809 77 H15 A2G 10 H15 A2G 10 -31.480 -19.719 -45.592 Start of MODEL 57 1 H1 ACE 1 H1 ACE 1 -32.860 -10.131 -43.124 2 H2 ACE 1 H2 ACE 1 -31.829 -11.364 -43.852 3 H3 ACE 1 H3 ACE 1 -33.345 -10.908 -44.631 4 HA PRO 2 HA PRO 2 -30.346 -7.214 -45.297 5 HB2 PRO 2 HB2 PRO 2 -27.690 -7.969 -44.473 6 HB3 PRO 2 HB3 PRO 2 -28.727 -6.701 -43.801 7 HG2 PRO 2 HG2 PRO 2 -27.999 -9.032 -42.510 8 HG3 PRO 2 HG3 PRO 2 -29.362 -7.992 -42.072 9 HD2 PRO 2 HD2 PRO 2 -29.373 -10.594 -43.528 10 HD3 PRO 2 HD3 PRO 2 -30.614 -9.883 -42.472 11 H THR 3 H THR 3 -28.308 -10.153 -45.413 12 HA THR 3 HA THR 3 -27.496 -9.522 -48.144 13 HB THR 3 HB THR 3 -26.729 -12.072 -46.793 14 HG1 THR 3 HG1 THR 3 -24.993 -10.289 -46.049 15 HG21 THR 3 HG21 THR 3 -24.818 -11.873 -48.097 16 HG22 THR 3 HG22 THR 3 -24.900 -10.111 -48.130 17 HG23 THR 3 HG23 THR 3 -26.002 -11.064 -49.124 18 H THR 4 H THR 4 -27.162 -12.409 -48.748 19 HA THR 4 HA THR 4 -29.897 -13.397 -48.985 20 HB THR 4 HB THR 4 -28.667 -13.560 -51.588 21 HG1 THR 4 HG1 THR 4 -28.371 -11.479 -52.028 22 HG21 THR 4 HG21 THR 4 -31.075 -13.837 -51.027 23 HG22 THR 4 HG22 THR 4 -30.812 -12.613 -52.270 24 HG23 THR 4 HG23 THR 4 -31.150 -12.125 -50.609 25 H THR 5 H THR 5 -29.591 -15.412 -50.734 26 HA THR 5 HA THR 5 -27.154 -16.890 -50.081 27 HB THR 5 HB THR 5 -28.563 -18.871 -49.354 28 HG21 THR 5 HG21 THR 5 -29.073 -16.656 -47.420 29 HG22 THR 5 HG22 THR 5 -27.399 -16.965 -47.880 30 HG23 THR 5 HG23 THR 5 -28.361 -18.246 -47.143 31 HA PRO 6 HA PRO 6 -27.303 -18.576 -54.105 32 HB2 PRO 6 HB2 PRO 6 -27.415 -21.343 -53.310 33 HB3 PRO 6 HB3 PRO 6 -26.014 -20.425 -53.884 34 HG2 PRO 6 HG2 PRO 6 -26.778 -21.148 -51.160 35 HG3 PRO 6 HG3 PRO 6 -25.209 -20.632 -51.795 36 HD2 PRO 6 HD2 PRO 6 -26.754 -19.058 -50.172 37 HD3 PRO 6 HD3 PRO 6 -25.620 -18.399 -51.372 38 H LEU 7 H LEU 7 -29.211 -18.228 -55.123 39 HA LEU 7 HA LEU 7 -31.713 -19.264 -54.195 40 HB2 LEU 7 HB2 LEU 7 -31.586 -18.455 -57.014 41 HB3 LEU 7 HB3 LEU 7 -32.608 -17.848 -55.710 42 HG LEU 7 HG LEU 7 -30.420 -16.748 -54.822 43 HD11 LEU 7 HD11 LEU 7 -29.294 -18.120 -56.898 44 HD12 LEU 7 HD12 LEU 7 -28.587 -16.676 -56.175 45 HD13 LEU 7 HD13 LEU 7 -29.557 -16.543 -57.642 46 HD21 LEU 7 HD21 LEU 7 -32.357 -15.515 -55.756 47 HD22 LEU 7 HD22 LEU 7 -31.723 -15.765 -57.382 48 HD23 LEU 7 HD23 LEU 7 -30.832 -14.768 -56.232 49 H LYS 8 H LYS 8 -33.098 -20.733 -55.366 50 HA LYS 8 HA LYS 8 -31.670 -23.071 -56.273 51 HB2 LYS 8 HB2 LYS 8 -34.648 -22.534 -56.186 52 HB3 LYS 8 HB3 LYS 8 -33.877 -24.107 -56.393 53 HG2 LYS 8 HG2 LYS 8 -32.676 -23.019 -54.105 54 HG3 LYS 8 HG3 LYS 8 -34.389 -22.628 -53.946 55 HD2 LYS 8 HD2 LYS 8 -34.067 -24.801 -52.958 56 HD3 LYS 8 HD3 LYS 8 -34.891 -25.049 -54.498 57 HE2 LYS 8 HE2 LYS 8 -33.227 -26.457 -55.069 58 HE3 LYS 8 HE3 LYS 8 -32.151 -25.061 -55.124 59 HZ1 LYS 8 HZ1 LYS 8 -31.089 -26.299 -53.568 60 HZ2 LYS 8 HZ2 LYS 8 -32.506 -27.058 -53.019 61 HZ3 LYS 8 HZ3 LYS 8 -32.150 -25.468 -52.539 62 HN1 NH2 9 HN1 NH2 9 -32.189 -23.359 -59.568 63 HN2 NH2 9 HN2 NH2 9 -33.362 -24.021 -58.536 64 H1 A2G 10 H1 A2G 10 -30.333 -19.049 -50.812 65 H2 A2G 10 H2 A2G 10 -32.718 -19.565 -50.485 66 HN2 A2G 10 HN2 A2G 10 -32.174 -16.662 -50.682 67 H3 A2G 10 H3 A2G 10 -32.645 -17.481 -48.290 68 HO3 A2G 10 HO3 A2G 10 -34.712 -19.170 -48.282 69 H4 A2G 10 H4 A2G 10 -32.857 -19.288 -46.706 70 HO4 A2G 10 HO4 A2G 10 -33.584 -20.629 -48.926 71 H5 A2G 10 H5 A2G 10 -30.547 -18.770 -47.393 72 H6 A2G 10 H6 A2G 10 -31.143 -21.723 -47.038 73 H8 A2G 10 H8 A2G 10 -33.234 -16.565 -53.864 74 H8A A2G 10 H8A A2G 10 -34.541 -16.124 -52.766 75 H8B A2G 10 H8B A2G 10 -32.892 -15.599 -52.428 76 H14 A2G 10 H14 A2G 10 -29.533 -21.019 -46.896 77 H15 A2G 10 H15 A2G 10 -31.390 -19.661 -45.453 Start of MODEL 58 1 H1 ACE 1 H1 ACE 1 -33.256 -7.478 -45.545 2 H2 ACE 1 H2 ACE 1 -33.117 -7.991 -43.863 3 H3 ACE 1 H3 ACE 1 -32.837 -9.148 -45.164 4 HA PRO 2 HA PRO 2 -28.739 -7.375 -43.913 5 HB2 PRO 2 HB2 PRO 2 -27.743 -10.070 -43.669 6 HB3 PRO 2 HB3 PRO 2 -27.982 -8.870 -42.390 7 HG2 PRO 2 HG2 PRO 2 -29.432 -11.201 -42.697 8 HG3 PRO 2 HG3 PRO 2 -29.927 -9.795 -41.741 9 HD2 PRO 2 HD2 PRO 2 -30.854 -10.654 -44.442 10 HD3 PRO 2 HD3 PRO 2 -31.728 -9.763 -43.175 11 H THR 3 H THR 3 -29.092 -10.435 -45.732 12 HA THR 3 HA THR 3 -27.813 -9.226 -48.057 13 HB THR 3 HB THR 3 -25.904 -10.058 -46.743 14 HG1 THR 3 HG1 THR 3 -26.500 -10.632 -49.209 15 HG21 THR 3 HG21 THR 3 -27.666 -12.087 -46.019 16 HG22 THR 3 HG22 THR 3 -25.944 -12.029 -45.648 17 HG23 THR 3 HG23 THR 3 -26.510 -12.891 -47.079 18 H THR 4 H THR 4 -27.236 -12.231 -48.714 19 HA THR 4 HA THR 4 -29.948 -13.225 -49.124 20 HB THR 4 HB THR 4 -28.904 -13.551 -51.655 21 HG1 THR 4 HG1 THR 4 -28.588 -10.989 -51.777 22 HG21 THR 4 HG21 THR 4 -31.206 -12.995 -51.223 23 HG22 THR 4 HG22 THR 4 -30.543 -11.719 -52.245 24 HG23 THR 4 HG23 THR 4 -30.753 -11.443 -50.515 25 H THR 5 H THR 5 -29.632 -15.293 -50.705 26 HA THR 5 HA THR 5 -27.188 -16.745 -50.021 27 HB THR 5 HB THR 5 -28.608 -18.692 -49.201 28 HG21 THR 5 HG21 THR 5 -27.391 -16.722 -47.831 29 HG22 THR 5 HG22 THR 5 -28.304 -18.000 -47.030 30 HG23 THR 5 HG23 THR 5 -29.052 -16.429 -47.318 31 HA PRO 6 HA PRO 6 -27.391 -18.610 -53.961 32 HB2 PRO 6 HB2 PRO 6 -27.500 -21.339 -53.043 33 HB3 PRO 6 HB3 PRO 6 -26.105 -20.451 -53.673 34 HG2 PRO 6 HG2 PRO 6 -26.838 -21.049 -50.911 35 HG3 PRO 6 HG3 PRO 6 -25.274 -20.569 -51.587 36 HD2 PRO 6 HD2 PRO 6 -26.796 -18.918 -50.017 37 HD3 PRO 6 HD3 PRO 6 -25.674 -18.317 -51.260 38 H LEU 7 H LEU 7 -29.362 -18.192 -54.866 39 HA LEU 7 HA LEU 7 -31.817 -19.290 -53.885 40 HB2 LEU 7 HB2 LEU 7 -32.835 -18.237 -55.812 41 HB3 LEU 7 HB3 LEU 7 -31.642 -17.131 -55.132 42 HG LEU 7 HG LEU 7 -30.144 -18.629 -56.913 43 HD11 LEU 7 HD11 LEU 7 -32.260 -19.605 -57.801 44 HD12 LEU 7 HD12 LEU 7 -31.404 -18.646 -59.009 45 HD13 LEU 7 HD13 LEU 7 -32.818 -17.978 -58.191 46 HD21 LEU 7 HD21 LEU 7 -30.230 -16.555 -58.305 47 HD22 LEU 7 HD22 LEU 7 -29.988 -16.209 -56.593 48 HD23 LEU 7 HD23 LEU 7 -31.579 -15.985 -57.322 49 H LYS 8 H LYS 8 -33.300 -20.452 -55.532 50 HA LYS 8 HA LYS 8 -32.005 -22.262 -57.367 51 HB2 LYS 8 HB2 LYS 8 -31.608 -23.241 -55.038 52 HB3 LYS 8 HB3 LYS 8 -33.349 -23.518 -54.977 53 HG2 LYS 8 HG2 LYS 8 -33.170 -24.787 -57.130 54 HG3 LYS 8 HG3 LYS 8 -31.417 -24.611 -57.041 55 HD2 LYS 8 HD2 LYS 8 -32.189 -25.556 -54.509 56 HD3 LYS 8 HD3 LYS 8 -33.129 -26.501 -55.665 57 HE2 LYS 8 HE2 LYS 8 -30.124 -26.101 -55.764 58 HE3 LYS 8 HE3 LYS 8 -30.941 -27.562 -55.207 59 HZ1 LYS 8 HZ1 LYS 8 -31.227 -28.230 -57.286 60 HZ2 LYS 8 HZ2 LYS 8 -30.225 -26.955 -57.790 61 HZ3 LYS 8 HZ3 LYS 8 -31.911 -26.749 -57.750 62 HN1 NH2 9 HN1 NH2 9 -35.057 -23.207 -58.625 63 HN2 NH2 9 HN2 NH2 9 -33.672 -22.331 -59.071 64 H1 A2G 10 H1 A2G 10 -30.430 -18.891 -50.606 65 H2 A2G 10 H2 A2G 10 -32.805 -19.370 -50.166 66 HN2 A2G 10 HN2 A2G 10 -32.275 -16.472 -50.466 67 H3 A2G 10 H3 A2G 10 -32.625 -17.211 -48.049 68 HO3 A2G 10 HO3 A2G 10 -34.626 -17.637 -49.227 69 H4 A2G 10 H4 A2G 10 -32.790 -18.960 -46.396 70 HO4 A2G 10 HO4 A2G 10 -32.596 -20.924 -48.388 71 H5 A2G 10 H5 A2G 10 -30.503 -18.491 -47.194 72 H6 A2G 10 H6 A2G 10 -30.948 -21.472 -46.843 73 H8 A2G 10 H8 A2G 10 -33.244 -16.420 -53.606 74 H8A A2G 10 H8A A2G 10 -34.691 -16.114 -52.645 75 H8B A2G 10 H8B A2G 10 -33.142 -15.436 -52.146 76 H14 A2G 10 H14 A2G 10 -29.464 -20.584 -46.498 77 H15 A2G 10 H15 A2G 10 -30.542 -20.806 -44.586 Start of MODEL 59 1 H1 ACE 1 H1 ACE 1 -33.360 -9.085 -46.624 2 H2 ACE 1 H2 ACE 1 -33.122 -7.597 -45.708 3 H3 ACE 1 H3 ACE 1 -32.632 -9.144 -45.019 4 HA PRO 2 HA PRO 2 -29.164 -6.638 -47.305 5 HB2 PRO 2 HB2 PRO 2 -27.585 -7.198 -44.960 6 HB3 PRO 2 HB3 PRO 2 -28.110 -5.625 -45.577 7 HG2 PRO 2 HG2 PRO 2 -29.218 -7.239 -43.409 8 HG3 PRO 2 HG3 PRO 2 -29.422 -5.516 -43.754 9 HD2 PRO 2 HD2 PRO 2 -31.427 -7.349 -44.087 10 HD3 PRO 2 HD3 PRO 2 -31.303 -5.861 -45.054 11 H THR 3 H THR 3 -29.045 -9.488 -45.172 12 HA THR 3 HA THR 3 -26.958 -10.713 -46.801 13 HB THR 3 HB THR 3 -26.945 -12.463 -45.112 14 HG1 THR 3 HG1 THR 3 -29.338 -11.191 -44.375 15 HG21 THR 3 HG21 THR 3 -25.973 -11.186 -43.464 16 HG22 THR 3 HG22 THR 3 -27.308 -10.035 -43.423 17 HG23 THR 3 HG23 THR 3 -26.109 -9.948 -44.713 18 H THR 4 H THR 4 -27.198 -12.680 -47.896 19 HA THR 4 HA THR 4 -29.862 -13.830 -48.185 20 HB THR 4 HB THR 4 -28.987 -13.585 -50.837 21 HG1 THR 4 HG1 THR 4 -28.035 -11.737 -50.941 22 HG21 THR 4 HG21 THR 4 -31.006 -12.145 -51.029 23 HG22 THR 4 HG22 THR 4 -31.080 -12.052 -49.270 24 HG23 THR 4 HG23 THR 4 -31.311 -13.600 -50.082 25 H THR 5 H THR 5 -29.578 -15.554 -50.172 26 HA THR 5 HA THR 5 -26.981 -16.884 -49.962 27 HB THR 5 HB THR 5 -28.085 -19.053 -49.375 28 HG21 THR 5 HG21 THR 5 -28.780 -17.113 -47.211 29 HG22 THR 5 HG22 THR 5 -27.095 -17.217 -47.735 30 HG23 THR 5 HG23 THR 5 -27.917 -18.649 -47.108 31 HA PRO 6 HA PRO 6 -27.409 -17.987 -54.160 32 HB2 PRO 6 HB2 PRO 6 -27.119 -20.827 -53.803 33 HB3 PRO 6 HB3 PRO 6 -25.907 -19.662 -54.358 34 HG2 PRO 6 HG2 PRO 6 -26.243 -20.880 -51.735 35 HG3 PRO 6 HG3 PRO 6 -24.844 -20.043 -52.420 36 HD2 PRO 6 HD2 PRO 6 -26.419 -19.005 -50.414 37 HD3 PRO 6 HD3 PRO 6 -25.470 -18.008 -51.541 38 H LEU 7 H LEU 7 -29.486 -17.698 -54.854 39 HA LEU 7 HA LEU 7 -31.691 -19.263 -53.903 40 HB2 LEU 7 HB2 LEU 7 -33.006 -18.067 -55.552 41 HB3 LEU 7 HB3 LEU 7 -31.914 -16.929 -54.763 42 HG LEU 7 HG LEU 7 -30.398 -17.885 -56.878 43 HD11 LEU 7 HD11 LEU 7 -32.588 -18.929 -57.691 44 HD12 LEU 7 HD12 LEU 7 -31.764 -17.872 -58.838 45 HD13 LEU 7 HD13 LEU 7 -33.165 -17.281 -57.945 46 HD21 LEU 7 HD21 LEU 7 -30.472 -15.563 -56.170 47 HD22 LEU 7 HD22 LEU 7 -32.164 -15.428 -56.651 48 HD23 LEU 7 HD23 LEU 7 -30.913 -15.630 -57.877 49 H LYS 8 H LYS 8 -33.083 -20.546 -55.364 50 HA LYS 8 HA LYS 8 -31.504 -22.528 -56.742 51 HB2 LYS 8 HB2 LYS 8 -34.062 -22.425 -55.512 52 HB3 LYS 8 HB3 LYS 8 -34.307 -22.874 -57.200 53 HG2 LYS 8 HG2 LYS 8 -32.656 -24.674 -56.990 54 HG3 LYS 8 HG3 LYS 8 -32.339 -24.207 -55.318 55 HD2 LYS 8 HD2 LYS 8 -35.179 -24.727 -56.030 56 HD3 LYS 8 HD3 LYS 8 -34.112 -26.131 -55.973 57 HE2 LYS 8 HE2 LYS 8 -33.409 -25.529 -53.697 58 HE3 LYS 8 HE3 LYS 8 -34.435 -24.094 -53.749 59 HZ1 LYS 8 HZ1 LYS 8 -36.236 -25.296 -53.303 60 HZ2 LYS 8 HZ2 LYS 8 -35.183 -26.559 -52.877 61 HZ3 LYS 8 HZ3 LYS 8 -35.842 -26.489 -54.442 62 HN1 NH2 9 HN1 NH2 9 -34.388 -21.548 -59.109 63 HN2 NH2 9 HN2 NH2 9 -34.002 -20.073 -58.362 64 H1 A2G 10 H1 A2G 10 -30.002 -19.291 -50.790 65 H2 A2G 10 H2 A2G 10 -32.206 -20.214 -50.379 66 HN2 A2G 10 HN2 A2G 10 -32.170 -17.279 -50.013 67 H3 A2G 10 H3 A2G 10 -32.275 -18.619 -47.812 68 HO3 A2G 10 HO3 A2G 10 -34.202 -19.284 -49.149 69 H4 A2G 10 H4 A2G 10 -31.997 -20.695 -46.618 70 HO4 A2G 10 HO4 A2G 10 -31.423 -22.213 -48.835 71 H5 A2G 10 H5 A2G 10 -29.902 -19.615 -47.324 72 H6 A2G 10 H6 A2G 10 -29.843 -22.634 -47.607 73 H8 A2G 10 H8 A2G 10 -33.425 -16.751 -53.003 74 H8A A2G 10 H8A A2G 10 -34.808 -16.835 -51.913 75 H8B A2G 10 H8B A2G 10 -33.313 -16.062 -51.384 76 H14 A2G 10 H14 A2G 10 -28.443 -21.618 -47.264 77 H15 A2G 10 H15 A2G 10 -29.856 -20.846 -45.438 Start of MODEL 60 1 H1 ACE 1 H1 ACE 1 -24.549 -8.166 -47.894 2 H2 ACE 1 H2 ACE 1 -23.790 -8.616 -46.366 3 H3 ACE 1 H3 ACE 1 -24.761 -7.147 -46.469 4 HA PRO 2 HA PRO 2 -27.072 -11.106 -44.889 5 HB2 PRO 2 HB2 PRO 2 -28.040 -9.387 -42.789 6 HB3 PRO 2 HB3 PRO 2 -27.006 -10.817 -42.644 7 HG2 PRO 2 HG2 PRO 2 -26.285 -7.987 -42.604 8 HG3 PRO 2 HG3 PRO 2 -25.375 -9.394 -42.036 9 HD2 PRO 2 HD2 PRO 2 -24.678 -7.962 -44.264 10 HD3 PRO 2 HD3 PRO 2 -24.307 -9.690 -44.063 11 H THR 3 H THR 3 -28.594 -11.074 -46.516 12 HA THR 3 HA THR 3 -30.936 -9.395 -46.071 13 HB THR 3 HB THR 3 -29.522 -9.401 -48.747 14 HG1 THR 3 HG1 THR 3 -29.810 -7.369 -46.791 15 HG21 THR 3 HG21 THR 3 -32.022 -8.059 -47.695 16 HG22 THR 3 HG22 THR 3 -31.900 -9.201 -49.034 17 HG23 THR 3 HG23 THR 3 -31.224 -7.580 -49.194 18 H THR 4 H THR 4 -29.363 -11.833 -48.118 19 HA THR 4 HA THR 4 -31.731 -13.519 -47.916 20 HB THR 4 HB THR 4 -32.077 -12.039 -49.932 21 HG1 THR 4 HG1 THR 4 -32.579 -14.483 -49.600 22 HG21 THR 4 HG21 THR 4 -29.418 -12.444 -50.374 23 HG22 THR 4 HG22 THR 4 -30.554 -11.926 -51.619 24 HG23 THR 4 HG23 THR 4 -30.123 -13.630 -51.474 25 H THR 5 H THR 5 -30.838 -15.154 -50.176 26 HA THR 5 HA THR 5 -28.161 -16.044 -49.437 27 HB THR 5 HB THR 5 -29.020 -18.407 -49.097 28 HG21 THR 5 HG21 THR 5 -28.466 -16.562 -47.287 29 HG22 THR 5 HG22 THR 5 -29.226 -18.078 -46.803 30 HG23 THR 5 HG23 THR 5 -30.204 -16.624 -46.997 31 HA PRO 6 HA PRO 6 -27.574 -17.155 -53.617 32 HB2 PRO 6 HB2 PRO 6 -27.046 -19.952 -53.171 33 HB3 PRO 6 HB3 PRO 6 -25.883 -18.653 -53.478 34 HG2 PRO 6 HG2 PRO 6 -26.640 -19.913 -50.956 35 HG3 PRO 6 HG3 PRO 6 -25.208 -18.954 -51.355 36 HD2 PRO 6 HD2 PRO 6 -27.216 -18.040 -49.732 37 HD3 PRO 6 HD3 PRO 6 -26.199 -16.966 -50.718 38 H LEU 7 H LEU 7 -29.285 -17.271 -54.951 39 HA LEU 7 HA LEU 7 -31.614 -18.832 -54.375 40 HB2 LEU 7 HB2 LEU 7 -31.840 -16.749 -55.591 41 HB3 LEU 7 HB3 LEU 7 -30.767 -17.333 -56.864 42 HG LEU 7 HG LEU 7 -33.018 -19.139 -56.304 43 HD11 LEU 7 HD11 LEU 7 -34.570 -17.585 -57.657 44 HD12 LEU 7 HD12 LEU 7 -33.469 -16.288 -57.195 45 HD13 LEU 7 HD13 LEU 7 -34.333 -17.195 -55.954 46 HD21 LEU 7 HD21 LEU 7 -31.318 -19.137 -58.241 47 HD22 LEU 7 HD22 LEU 7 -32.239 -17.780 -58.891 48 HD23 LEU 7 HD23 LEU 7 -33.014 -19.349 -58.674 49 H LYS 8 H LYS 8 -32.281 -20.755 -55.224 50 HA LYS 8 HA LYS 8 -30.909 -22.024 -57.421 51 HB2 LYS 8 HB2 LYS 8 -29.324 -22.513 -55.620 52 HB3 LYS 8 HB3 LYS 8 -30.629 -23.180 -54.636 53 HG2 LYS 8 HG2 LYS 8 -30.527 -24.348 -57.320 54 HG3 LYS 8 HG3 LYS 8 -29.047 -24.622 -56.399 55 HD2 LYS 8 HD2 LYS 8 -30.251 -25.652 -54.601 56 HD3 LYS 8 HD3 LYS 8 -31.803 -25.136 -55.260 57 HE2 LYS 8 HE2 LYS 8 -31.470 -26.579 -57.222 58 HE3 LYS 8 HE3 LYS 8 -29.896 -27.076 -56.600 59 HZ1 LYS 8 HZ1 LYS 8 -30.869 -28.586 -55.333 60 HZ2 LYS 8 HZ2 LYS 8 -32.367 -28.196 -56.034 61 HZ3 LYS 8 HZ3 LYS 8 -31.863 -27.418 -54.609 62 HN1 NH2 9 HN1 NH2 9 -32.271 -23.648 -58.345 63 HN2 NH2 9 HN2 NH2 9 -33.603 -24.328 -57.542 64 H1 A2G 10 H1 A2G 10 -30.525 -18.824 -50.731 65 H2 A2G 10 H2 A2G 10 -32.726 -19.942 -50.799 66 HN2 A2G 10 HN2 A2G 10 -32.910 -16.992 -50.609 67 H3 A2G 10 H3 A2G 10 -33.398 -18.224 -48.396 68 HO3 A2G 10 HO3 A2G 10 -35.343 -19.076 -48.609 69 H4 A2G 10 H4 A2G 10 -33.343 -20.250 -47.081 70 HO4 A2G 10 HO4 A2G 10 -33.553 -21.381 -49.480 71 H5 A2G 10 H5 A2G 10 -31.179 -19.102 -47.375 72 H6 A2G 10 H6 A2G 10 -30.978 -22.131 -47.474 73 H8 A2G 10 H8 A2G 10 -33.545 -16.651 -53.830 74 H8A A2G 10 H8A A2G 10 -35.103 -16.807 -53.016 75 H8B A2G 10 H8B A2G 10 -33.794 -15.906 -52.250 76 H14 A2G 10 H14 A2G 10 -29.698 -21.050 -46.923 77 H15 A2G 10 H15 A2G 10 -31.381 -22.047 -45.378 Start of MODEL 61 1 H1 ACE 1 H1 ACE 1 -29.717 -6.219 -48.775 2 H2 ACE 1 H2 ACE 1 -30.619 -6.753 -47.357 3 H3 ACE 1 H3 ACE 1 -31.031 -7.382 -48.951 4 HA PRO 2 HA PRO 2 -26.513 -9.160 -48.287 5 HB2 PRO 2 HB2 PRO 2 -25.938 -8.743 -45.495 6 HB3 PRO 2 HB3 PRO 2 -25.047 -8.136 -46.899 7 HG2 PRO 2 HG2 PRO 2 -26.974 -6.767 -45.185 8 HG3 PRO 2 HG3 PRO 2 -25.765 -6.095 -46.287 9 HD2 PRO 2 HD2 PRO 2 -28.457 -6.003 -46.784 10 HD3 PRO 2 HD3 PRO 2 -27.231 -6.035 -48.072 11 H THR 3 H THR 3 -29.270 -9.230 -46.256 12 HA THR 3 HA THR 3 -28.656 -11.830 -45.084 13 HB THR 3 HB THR 3 -31.236 -10.260 -44.924 14 HG1 THR 3 HG1 THR 3 -28.774 -9.896 -43.765 15 HG21 THR 3 HG21 THR 3 -30.452 -11.854 -42.632 16 HG22 THR 3 HG22 THR 3 -30.529 -12.844 -44.090 17 HG23 THR 3 HG23 THR 3 -31.939 -11.919 -43.577 18 H THR 4 H THR 4 -28.476 -12.491 -47.528 19 HA THR 4 HA THR 4 -30.924 -13.958 -48.129 20 HB THR 4 HB THR 4 -30.368 -13.121 -50.645 21 HG1 THR 4 HG1 THR 4 -30.124 -10.811 -50.409 22 HG21 THR 4 HG21 THR 4 -32.576 -13.165 -49.550 23 HG22 THR 4 HG22 THR 4 -32.319 -11.636 -50.389 24 HG23 THR 4 HG23 THR 4 -32.152 -11.719 -48.636 25 H THR 5 H THR 5 -30.388 -15.975 -48.657 26 HA THR 5 HA THR 5 -27.603 -16.582 -49.312 27 HB THR 5 HB THR 5 -28.398 -18.968 -49.043 28 HG21 THR 5 HG21 THR 5 -27.882 -16.976 -47.116 29 HG22 THR 5 HG22 THR 5 -27.773 -18.722 -46.892 30 HG23 THR 5 HG23 THR 5 -29.273 -17.876 -46.510 31 HA PRO 6 HA PRO 6 -27.856 -17.178 -53.625 32 HB2 PRO 6 HB2 PRO 6 -27.169 -19.976 -53.613 33 HB3 PRO 6 HB3 PRO 6 -26.129 -18.596 -53.994 34 HG2 PRO 6 HG2 PRO 6 -26.327 -20.152 -51.532 35 HG3 PRO 6 HG3 PRO 6 -25.032 -19.085 -52.094 36 HD2 PRO 6 HD2 PRO 6 -26.697 -18.450 -50.012 37 HD3 PRO 6 HD3 PRO 6 -25.930 -17.228 -51.052 38 H LEU 7 H LEU 7 -29.902 -17.132 -54.402 39 HA LEU 7 HA LEU 7 -31.925 -19.010 -53.639 40 HB2 LEU 7 HB2 LEU 7 -33.333 -17.844 -55.229 41 HB3 LEU 7 HB3 LEU 7 -32.392 -16.656 -54.326 42 HG LEU 7 HG LEU 7 -30.733 -17.265 -56.456 43 HD11 LEU 7 HD11 LEU 7 -32.117 -17.135 -58.461 44 HD12 LEU 7 HD12 LEU 7 -33.579 -17.033 -57.480 45 HD13 LEU 7 HD13 LEU 7 -32.630 -18.519 -57.495 46 HD21 LEU 7 HD21 LEU 7 -31.392 -15.019 -57.276 47 HD22 LEU 7 HD22 LEU 7 -31.185 -15.029 -55.524 48 HD23 LEU 7 HD23 LEU 7 -32.805 -15.057 -56.221 49 H LYS 8 H LYS 8 -33.229 -20.101 -55.476 50 HA LYS 8 HA LYS 8 -31.708 -21.059 -57.732 51 HB2 LYS 8 HB2 LYS 8 -30.977 -22.398 -55.607 52 HB3 LYS 8 HB3 LYS 8 -32.536 -23.200 -55.800 53 HG2 LYS 8 HG2 LYS 8 -31.935 -23.725 -58.163 54 HG3 LYS 8 HG3 LYS 8 -30.344 -23.013 -57.887 55 HD2 LYS 8 HD2 LYS 8 -29.828 -25.201 -57.395 56 HD3 LYS 8 HD3 LYS 8 -30.394 -24.698 -55.801 57 HE2 LYS 8 HE2 LYS 8 -32.680 -25.501 -56.404 58 HE3 LYS 8 HE3 LYS 8 -32.033 -26.102 -57.931 59 HZ1 LYS 8 HZ1 LYS 8 -31.344 -27.920 -56.905 60 HZ2 LYS 8 HZ2 LYS 8 -32.024 -27.368 -55.450 61 HZ3 LYS 8 HZ3 LYS 8 -30.408 -27.004 -55.827 62 HN1 NH2 9 HN1 NH2 9 -34.608 -21.529 -55.673 63 HN2 NH2 9 HN2 NH2 9 -35.636 -21.961 -56.952 64 H1 A2G 10 H1 A2G 10 -30.247 -19.194 -50.453 65 H2 A2G 10 H2 A2G 10 -32.358 -20.426 -50.164 66 HN2 A2G 10 HN2 A2G 10 -32.589 -17.545 -49.523 67 H3 A2G 10 H3 A2G 10 -32.526 -19.084 -47.455 68 HO3 A2G 10 HO3 A2G 10 -34.432 -19.734 -48.781 69 H4 A2G 10 H4 A2G 10 -32.056 -21.235 -46.471 70 HO4 A2G 10 HO4 A2G 10 -31.858 -23.046 -47.674 71 H5 A2G 10 H5 A2G 10 -30.070 -19.916 -47.099 72 H6 A2G 10 H6 A2G 10 -30.008 -22.912 -47.362 73 H8 A2G 10 H8 A2G 10 -33.796 -16.840 -52.466 74 H8A A2G 10 H8A A2G 10 -35.223 -17.125 -51.471 75 H8B A2G 10 H8B A2G 10 -33.820 -16.304 -50.786 76 H14 A2G 10 H14 A2G 10 -28.523 -21.985 -47.578 77 H15 A2G 10 H15 A2G 10 -29.875 -21.111 -45.427 Start of MODEL 62 1 H1 ACE 1 H1 ACE 1 -23.781 -7.898 -47.598 2 H2 ACE 1 H2 ACE 1 -24.777 -6.832 -48.587 3 H3 ACE 1 H3 ACE 1 -24.553 -8.517 -49.057 4 HA PRO 2 HA PRO 2 -28.538 -7.550 -46.469 5 HB2 PRO 2 HB2 PRO 2 -29.906 -9.092 -48.481 6 HB3 PRO 2 HB3 PRO 2 -30.112 -7.379 -48.086 7 HG2 PRO 2 HG2 PRO 2 -28.616 -8.619 -50.265 8 HG3 PRO 2 HG3 PRO 2 -29.199 -6.957 -50.097 9 HD2 PRO 2 HD2 PRO 2 -26.550 -7.635 -49.940 10 HD3 PRO 2 HD3 PRO 2 -27.246 -6.231 -49.099 11 H THR 3 H THR 3 -29.982 -9.273 -45.588 12 HA THR 3 HA THR 3 -28.427 -11.682 -45.049 13 HB THR 3 HB THR 3 -30.466 -12.103 -43.490 14 HG1 THR 3 HG1 THR 3 -31.610 -10.347 -44.678 15 HG21 THR 3 HG21 THR 3 -28.466 -9.859 -43.185 16 HG22 THR 3 HG22 THR 3 -28.366 -11.498 -42.543 17 HG23 THR 3 HG23 THR 3 -29.532 -10.358 -41.872 18 H THR 4 H THR 4 -28.621 -12.686 -47.122 19 HA THR 4 HA THR 4 -31.071 -14.251 -47.367 20 HB THR 4 HB THR 4 -30.324 -13.332 -50.002 21 HG1 THR 4 HG1 THR 4 -31.155 -11.168 -49.590 22 HG21 THR 4 HG21 THR 4 -32.465 -14.405 -49.304 23 HG22 THR 4 HG22 THR 4 -32.712 -12.868 -50.132 24 HG23 THR 4 HG23 THR 4 -32.854 -12.956 -48.377 25 H THR 5 H THR 5 -30.681 -15.577 -49.643 26 HA THR 5 HA THR 5 -27.897 -16.457 -49.802 27 HB THR 5 HB THR 5 -28.618 -18.855 -49.516 28 HG21 THR 5 HG21 THR 5 -29.326 -17.426 -46.988 29 HG22 THR 5 HG22 THR 5 -27.723 -17.152 -47.672 30 HG23 THR 5 HG23 THR 5 -28.228 -18.784 -47.238 31 HA PRO 6 HA PRO 6 -28.481 -17.000 -54.092 32 HB2 PRO 6 HB2 PRO 6 -27.833 -19.805 -54.178 33 HB3 PRO 6 HB3 PRO 6 -26.807 -18.431 -54.616 34 HG2 PRO 6 HG2 PRO 6 -26.835 -20.026 -52.171 35 HG3 PRO 6 HG3 PRO 6 -25.573 -18.965 -52.815 36 HD2 PRO 6 HD2 PRO 6 -27.063 -18.345 -50.601 37 HD3 PRO 6 HD3 PRO 6 -26.363 -17.115 -51.679 38 H LEU 7 H LEU 7 -30.328 -17.242 -55.215 39 HA LEU 7 HA LEU 7 -32.544 -18.702 -54.142 40 HB2 LEU 7 HB2 LEU 7 -32.269 -17.537 -56.920 41 HB3 LEU 7 HB3 LEU 7 -33.764 -17.902 -56.056 42 HG LEU 7 HG LEU 7 -32.444 -16.266 -54.272 43 HD11 LEU 7 HD11 LEU 7 -30.794 -15.873 -56.213 44 HD12 LEU 7 HD12 LEU 7 -31.469 -14.442 -55.435 45 HD13 LEU 7 HD13 LEU 7 -32.107 -14.985 -56.987 46 HD21 LEU 7 HD21 LEU 7 -34.374 -15.457 -56.472 47 HD22 LEU 7 HD22 LEU 7 -34.095 -14.570 -54.972 48 HD23 LEU 7 HD23 LEU 7 -34.830 -16.173 -54.926 49 H LYS 8 H LYS 8 -32.305 -20.879 -54.087 50 HA LYS 8 HA LYS 8 -32.409 -22.311 -56.589 51 HB2 LYS 8 HB2 LYS 8 -29.875 -21.991 -55.222 52 HB3 LYS 8 HB3 LYS 8 -30.343 -23.691 -55.293 53 HG2 LYS 8 HG2 LYS 8 -30.556 -21.934 -57.732 54 HG3 LYS 8 HG3 LYS 8 -29.028 -22.704 -57.305 55 HD2 LYS 8 HD2 LYS 8 -30.163 -24.910 -57.282 56 HD3 LYS 8 HD3 LYS 8 -31.666 -24.126 -57.770 57 HE2 LYS 8 HE2 LYS 8 -30.763 -24.874 -59.812 58 HE3 LYS 8 HE3 LYS 8 -30.273 -23.182 -59.751 59 HZ1 LYS 8 HZ1 LYS 8 -28.300 -24.519 -58.416 60 HZ2 LYS 8 HZ2 LYS 8 -28.210 -23.922 -60.003 61 HZ3 LYS 8 HZ3 LYS 8 -28.659 -25.536 -59.725 62 HN1 NH2 9 HN1 NH2 9 -32.634 -23.600 -52.768 63 HN2 NH2 9 HN2 NH2 9 -33.534 -22.259 -53.291 64 H1 A2G 10 H1 A2G 10 -30.478 -19.196 -50.776 65 H2 A2G 10 H2 A2G 10 -32.575 -20.443 -50.391 66 HN2 A2G 10 HN2 A2G 10 -32.805 -17.535 -49.886 67 H3 A2G 10 H3 A2G 10 -32.668 -18.979 -47.741 68 HO3 A2G 10 HO3 A2G 10 -34.676 -19.497 -48.008 69 H4 A2G 10 H4 A2G 10 -32.194 -21.101 -46.687 70 HO4 A2G 10 HO4 A2G 10 -33.212 -22.175 -48.679 71 H5 A2G 10 H5 A2G 10 -30.227 -19.797 -47.408 72 H6 A2G 10 H6 A2G 10 -30.011 -22.801 -47.771 73 H8 A2G 10 H8 A2G 10 -34.161 -17.069 -52.892 74 H8A A2G 10 H8A A2G 10 -35.450 -17.134 -51.691 75 H8B A2G 10 H8B A2G 10 -33.922 -16.345 -51.303 76 H14 A2G 10 H14 A2G 10 -28.615 -21.732 -47.634 77 H15 A2G 10 H15 A2G 10 -29.272 -22.647 -45.621
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