NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647542 | 6u7x | 30671 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -8.041 -0.441 1.946 2 HA2 GLY 1 2HA GLY 1 -7.286 -2.314 3.238 3 HA3 GLY 1 1HA GLY 1 -8.440 -3.316 2.367 4 H ARG 2 H ARG 2 -6.133 -0.948 1.121 5 HA ARG 2 HA ARG 2 -4.880 -3.169 -0.371 6 HB2 ARG 2 2HB ARG 2 -4.882 -0.408 -1.518 7 HB3 ARG 2 1HB ARG 2 -4.771 -1.946 -2.336 8 HG2 ARG 2 2HG ARG 2 -7.159 -2.317 -2.022 9 HG3 ARG 2 1HG ARG 2 -7.295 -0.779 -1.162 10 HD2 ARG 2 2HD ARG 2 -6.178 0.189 -3.321 11 HD3 ARG 2 1HD ARG 2 -6.758 -1.302 -4.053 12 HE ARG 2 HE ARG 2 -8.809 0.079 -2.619 13 HH11 ARG 2 1HH1 ARG 2 -7.206 -0.200 -5.757 14 HH12 ARG 2 2HH1 ARG 2 -8.354 0.727 -6.586 15 HH21 ARG 2 1HH2 ARG 2 -10.357 1.396 -3.707 16 HH22 ARG 2 2HH2 ARG 2 -10.220 1.671 -5.390 17 H ALA 3 H AZH 3 -3.163 -3.285 1.077 18 HA ALA 3 HA AZH 3 -1.528 -0.871 1.321 19 HB1 ALA 3 1HB AZH 3 -0.379 -2.491 3.110 20 HB2 ALA 3 2HB AZH 3 -1.999 -3.166 3.144 21 H TYR 4 H TYR 4 0.433 -0.794 0.562 22 HA TYR 4 HA TYR 4 1.365 -3.126 -0.904 23 HB2 TYR 4 2HB TYR 4 1.948 -0.176 -1.253 24 HB3 TYR 4 1HB TYR 4 2.777 -1.445 -2.159 25 HD1 TYR 4 1HD TYR 4 -0.376 0.357 -1.670 26 HD2 TYR 4 2HD TYR 4 1.591 -2.657 -3.920 27 HE1 TYR 4 1HE TYR 4 -2.194 0.401 -3.303 28 HE2 TYR 4 2HE TYR 4 -0.223 -2.617 -5.569 29 HH TYR 4 HH TYR 4 -2.559 -0.162 -5.675 30 H LYS 5 H LYS 5 3.406 -3.878 -0.677 31 HA LYS 5 HA LYS 5 4.589 -3.451 1.928 32 HB2 LYS 5 2HB LYS 5 5.221 -5.412 -0.282 33 HB3 LYS 5 1HB LYS 5 6.185 -5.289 1.172 34 HG2 LYS 5 2HG LYS 5 4.670 -7.165 1.343 35 HG3 LYS 5 1HG LYS 5 4.209 -5.942 2.514 36 HD2 LYS 5 2HD LYS 5 2.387 -5.224 1.068 37 HD3 LYS 5 1HD LYS 5 2.895 -6.378 -0.166 38 HE2 LYS 5 2HE LYS 5 2.426 -8.227 1.344 39 HE3 LYS 5 1HE LYS 5 1.974 -7.101 2.619 40 HZ1 LYS 5 1HZ LYS 5 0.049 -8.034 1.440 41 HZ2 LYS 5 2HZ LYS 5 0.580 -7.337 0.002 42 HZ3 LYS 5 3HZ LYS 5 0.118 -6.365 1.302 43 H SER 6 H SER 6 5.289 -2.644 -1.358 44 HA SER 6 HA SER 6 8.047 -2.120 -1.164 45 HB2 SER 6 2HB SER 6 6.024 -0.832 -2.978 46 HB3 SER 6 1HB SER 6 7.744 -1.083 -3.279 47 HG SER 6 HG SER 6 7.099 -3.420 -2.891 48 H LYS 7 H LYS 7 9.060 0.009 -1.106 49 HA LYS 7 HA LYS 7 7.478 1.859 0.450 50 HB2 LYS 7 2HB LYS 7 10.485 1.580 0.265 51 HB3 LYS 7 1HB LYS 7 9.689 2.904 1.101 52 HG2 LYS 7 2HG LYS 7 10.262 1.368 2.786 53 HG3 LYS 7 1HG LYS 7 8.546 1.120 2.501 54 HD2 LYS 7 2HD LYS 7 9.077 -0.796 1.058 55 HD3 LYS 7 1HD LYS 7 10.790 -0.552 1.404 56 HE2 LYS 7 2HE LYS 7 9.960 -2.297 2.803 57 HE3 LYS 7 1HE LYS 7 10.307 -0.858 3.777 58 HZ1 LYS 7 1HZ LYS 7 7.952 -0.380 3.897 59 HZ2 LYS 7 2HZ LYS 7 8.236 -1.970 4.375 60 HZ3 LYS 7 3HZ LYS 7 7.605 -1.677 2.854 61 HA PRO 8 HA PRO 8 7.385 4.166 0.914 62 HB2 PRO 8 2HB PRO 8 5.445 5.837 0.048 63 HB3 PRO 8 1HB PRO 8 7.140 6.336 0.134 64 HG2 PRO 8 2HG PRO 8 5.591 5.340 -2.234 65 HG3 PRO 8 1HG PRO 8 6.643 6.762 -2.126 66 HD2 PRO 8 2HD PRO 8 7.518 4.468 -3.186 67 HD3 PRO 8 1HD PRO 8 8.574 5.494 -2.199 68 HA PRO 9 HA PRO 9 4.081 1.189 0.715 69 HB2 PRO 9 2HB PRO 9 3.247 1.359 3.301 70 HB3 PRO 9 1HB PRO 9 4.692 0.470 2.808 71 HG2 PRO 9 2HG PRO 9 4.451 3.163 4.045 72 HG3 PRO 9 1HG PRO 9 5.687 1.918 4.301 73 HD2 PRO 9 2HD PRO 9 6.032 4.142 2.720 74 HD3 PRO 9 1HD PRO 9 6.930 2.628 2.517 75 H ILE 10 H ILE 10 2.506 1.920 -0.464 76 HA ILE 10 HA ILE 10 0.866 4.159 0.403 77 HB ILE 10 HB ILE 10 0.818 2.508 -2.141 78 HG12 ILE 10 2HG1 ILE 10 2.879 3.798 -1.989 79 HG13 ILE 10 1HG1 ILE 10 1.837 4.480 -3.230 80 HG21 ILE 10 1HG2 ILE 10 -1.346 3.439 -1.699 81 HG22 ILE 10 2HG2 ILE 10 -0.603 4.259 -3.074 82 HG23 ILE 10 3HG2 ILE 10 -0.656 5.052 -1.494 83 HD11 ILE 10 1HD1 ILE 10 1.183 6.264 -1.683 84 HD12 ILE 10 2HD1 ILE 10 2.927 6.218 -1.935 85 HD13 ILE 10 3HD1 ILE 10 2.237 5.575 -0.448 86 H ALA 11 H PRG 11 -1.092 3.826 1.371 87 HA ALA 11 HA PRG 11 -2.284 1.194 1.026 88 HB1 ALA 11 1HB PRG 11 -3.145 1.257 3.327 89 HB2 ALA 11 2HB PRG 11 -2.367 2.802 3.596 90 H PHE 12 H PHE 12 -4.174 1.254 0.279 91 HA PHE 12 HA PHE 12 -5.695 3.755 0.214 92 HB2 PHE 12 2HB PHE 12 -6.094 1.155 -1.300 93 HB3 PHE 12 1HB PHE 12 -7.159 2.540 -1.416 94 HD1 PHE 12 1HD PHE 12 -3.703 1.390 -2.105 95 HD2 PHE 12 2HD PHE 12 -6.702 4.297 -2.850 96 HE1 PHE 12 1HE PHE 12 -2.349 2.324 -3.955 97 HE2 PHE 12 2HE PHE 12 -5.356 5.231 -4.681 98 HZ PHE 12 HZ PHE 12 -3.174 4.232 -5.225 99 HA PRO 13 HA PRO 13 -7.942 2.441 3.736 100 HB2 PRO 13 2HB PRO 13 -10.331 3.692 3.252 101 HB3 PRO 13 1HB PRO 13 -8.895 4.494 3.897 102 HG2 PRO 13 2HG PRO 13 -9.880 4.363 1.072 103 HG3 PRO 13 1HG PRO 13 -9.271 5.758 1.983 104 HD2 PRO 13 2HD PRO 13 -7.706 4.515 0.237 105 HD3 PRO 13 1HD PRO 13 -7.042 5.054 1.795 106 H ASP 14 H ASP 14 -8.942 1.482 0.651 107 HA ASP 14 HA ASP 14 -11.287 -0.008 1.463 108 HB2 ASP 14 2HB ASP 14 -9.649 -0.288 -1.069 109 HB3 ASP 14 1HB ASP 14 -11.204 -1.045 -0.775 110 H1 WMH 101 1HG AZH 3 -2.008 -1.599 4.853 111 H2 WMH 101 2HG AZH 3 -2.793 -0.757 3.520 112 H5 WMH 101 HD PRG 11 0.393 2.795 3.645 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -7.941 -0.658 1.866 2 HA2 GLY 1 2HA GLY 1 -7.083 -2.584 3.116 3 HA3 GLY 1 1HA GLY 1 -8.323 -3.544 2.320 4 H ARG 2 H ARG 2 -6.050 -1.164 1.062 5 HA ARG 2 HA ARG 2 -4.732 -3.298 -0.411 6 HB2 ARG 2 2HB ARG 2 -5.865 -0.780 -1.596 7 HB3 ARG 2 1HB ARG 2 -4.539 -1.642 -2.357 8 HG2 ARG 2 2HG ARG 2 -5.920 -3.583 -2.662 9 HG3 ARG 2 1HG ARG 2 -7.236 -2.832 -1.751 10 HD2 ARG 2 2HD ARG 2 -6.052 -1.703 -4.270 11 HD3 ARG 2 1HD ARG 2 -7.507 -2.704 -4.230 12 HE ARG 2 HE ARG 2 -8.169 -0.831 -2.493 13 HH11 ARG 2 1HH1 ARG 2 -6.782 -0.466 -5.744 14 HH12 ARG 2 2HH1 ARG 2 -7.439 1.103 -5.947 15 HH21 ARG 2 1HH2 ARG 2 -9.005 1.238 -2.794 16 HH22 ARG 2 2HH2 ARG 2 -8.729 2.099 -4.252 17 H ALA 3 H AZH 3 -2.872 -3.256 0.561 18 HA ALA 3 HA AZH 3 -1.486 -0.688 0.747 19 HB1 ALA 3 1HB AZH 3 -0.133 -2.178 2.496 20 HB2 ALA 3 2HB AZH 3 -1.703 -2.950 2.632 21 H TYR 4 H TYR 4 0.336 -0.507 -0.259 22 HA TYR 4 HA TYR 4 1.507 -2.813 -1.534 23 HB2 TYR 4 2HB TYR 4 2.210 0.142 -1.579 24 HB3 TYR 4 1HB TYR 4 3.149 -1.089 -2.418 25 HD1 TYR 4 1HD TYR 4 0.008 0.801 -2.397 26 HD2 TYR 4 2HD TYR 4 2.274 -2.178 -4.394 27 HE1 TYR 4 1HE TYR 4 -1.488 0.967 -4.331 28 HE2 TYR 4 2HE TYR 4 0.792 -2.027 -6.326 29 HH TYR 4 HH TYR 4 -1.545 -1.334 -6.769 30 H LYS 5 H LYS 5 3.028 -3.934 -0.562 31 HA LYS 5 HA LYS 5 3.867 -3.062 2.056 32 HB2 LYS 5 2HB LYS 5 4.540 -5.596 0.572 33 HB3 LYS 5 1HB LYS 5 4.942 -5.279 2.253 34 HG2 LYS 5 2HG LYS 5 2.519 -5.046 2.742 35 HG3 LYS 5 1HG LYS 5 2.172 -5.504 1.085 36 HD2 LYS 5 2HD LYS 5 3.687 -7.251 3.033 37 HD3 LYS 5 1HD LYS 5 1.951 -7.334 2.808 38 HE2 LYS 5 2HE LYS 5 2.916 -9.102 1.538 39 HE3 LYS 5 1HE LYS 5 2.375 -7.887 0.392 40 HZ1 LYS 5 1HZ LYS 5 4.667 -7.197 0.073 41 HZ2 LYS 5 2HZ LYS 5 4.563 -8.852 -0.125 42 HZ3 LYS 5 3HZ LYS 5 5.187 -8.219 1.306 43 H SER 6 H SER 6 4.978 -2.553 -0.966 44 HA SER 6 HA SER 6 7.781 -2.483 -0.392 45 HB2 SER 6 2HB SER 6 7.728 -1.359 -2.685 46 HB3 SER 6 1HB SER 6 7.139 -3.023 -2.618 47 HG SER 6 HG SER 6 5.641 -0.631 -2.685 48 H LYS 7 H LYS 7 8.955 -0.531 -0.141 49 HA LYS 7 HA LYS 7 7.339 1.749 0.733 50 HB2 LYS 7 2HB LYS 7 10.315 1.239 1.045 51 HB3 LYS 7 1HB LYS 7 9.426 2.591 1.732 52 HG2 LYS 7 2HG LYS 7 8.137 1.033 3.118 53 HG3 LYS 7 1HG LYS 7 9.032 -0.317 2.426 54 HD2 LYS 7 2HD LYS 7 9.965 0.224 4.583 55 HD3 LYS 7 1HD LYS 7 11.128 0.667 3.335 56 HE2 LYS 7 2HE LYS 7 10.431 3.008 3.512 57 HE3 LYS 7 1HE LYS 7 9.233 2.571 4.724 58 HZ1 LYS 7 1HZ LYS 7 11.187 3.462 5.755 59 HZ2 LYS 7 2HZ LYS 7 12.180 2.358 4.988 60 HZ3 LYS 7 3HZ LYS 7 11.091 1.830 6.162 61 HA PRO 8 HA PRO 8 7.685 4.224 0.879 62 HB2 PRO 8 2HB PRO 8 6.114 5.602 -1.213 63 HB3 PRO 8 1HB PRO 8 7.117 6.291 0.068 64 HG2 PRO 8 2HG PRO 8 7.944 6.366 -2.452 65 HG3 PRO 8 1HG PRO 8 9.086 6.008 -1.143 66 HD2 PRO 8 2HD PRO 8 7.707 4.103 -3.010 67 HD3 PRO 8 1HD PRO 8 9.424 4.178 -2.562 68 HA PRO 9 HA PRO 9 4.025 1.738 1.165 69 HB2 PRO 9 2HB PRO 9 2.981 2.838 3.406 70 HB3 PRO 9 1HB PRO 9 4.396 1.789 3.445 71 HG2 PRO 9 2HG PRO 9 4.258 4.773 3.507 72 HG3 PRO 9 1HG PRO 9 5.257 3.673 4.474 73 HD2 PRO 9 2HD PRO 9 6.212 5.001 2.329 74 HD3 PRO 9 1HD PRO 9 6.792 3.387 2.784 75 H ILE 10 H ILE 10 2.569 2.128 -0.404 76 HA ILE 10 HA ILE 10 0.845 4.489 -0.122 77 HB ILE 10 HB ILE 10 1.241 2.694 -2.553 78 HG12 ILE 10 2HG1 ILE 10 2.145 5.545 -2.061 79 HG13 ILE 10 1HG1 ILE 10 3.190 4.133 -2.089 80 HG21 ILE 10 1HG2 ILE 10 -1.034 3.593 -2.450 81 HG22 ILE 10 2HG2 ILE 10 -0.131 4.346 -3.765 82 HG23 ILE 10 3HG2 ILE 10 -0.394 5.225 -2.259 83 HD11 ILE 10 1HD1 ILE 10 1.611 5.214 -4.409 84 HD12 ILE 10 2HD1 ILE 10 2.663 3.801 -4.447 85 HD13 ILE 10 3HD1 ILE 10 3.346 5.401 -4.152 86 H ALA 11 H PRG 11 -1.161 4.093 0.668 87 HA ALA 11 HA PRG 11 -2.210 1.376 0.388 88 HB1 ALA 11 1HB PRG 11 -3.041 1.373 2.680 89 HB2 ALA 11 2HB PRG 11 -2.351 2.955 2.963 90 H PHE 12 H PHE 12 -4.392 1.211 0.473 91 HA PHE 12 HA PHE 12 -5.933 3.687 0.367 92 HB2 PHE 12 2HB PHE 12 -6.424 1.086 -1.110 93 HB3 PHE 12 1HB PHE 12 -7.524 2.451 -1.107 94 HD1 PHE 12 1HD PHE 12 -4.521 1.030 -2.533 95 HD2 PHE 12 2HD PHE 12 -6.863 4.567 -2.205 96 HE1 PHE 12 1HE PHE 12 -3.365 1.982 -4.491 97 HE2 PHE 12 2HE PHE 12 -5.709 5.516 -4.153 98 HZ PHE 12 HZ PHE 12 -3.964 4.226 -5.297 99 HA PRO 13 HA PRO 13 -7.636 2.112 4.158 100 HB2 PRO 13 2HB PRO 13 -10.104 3.550 3.383 101 HB3 PRO 13 1HB PRO 13 -9.127 3.703 4.846 102 HG2 PRO 13 2HG PRO 13 -9.027 5.584 2.984 103 HG3 PRO 13 1HG PRO 13 -7.545 5.054 3.803 104 HD2 PRO 13 2HD PRO 13 -8.557 4.346 1.074 105 HD3 PRO 13 1HD PRO 13 -6.913 4.757 1.609 106 H ASP 14 H ASP 14 -9.139 1.367 1.163 107 HA ASP 14 HA ASP 14 -11.237 -0.243 2.289 108 HB2 ASP 14 2HB ASP 14 -11.591 -1.077 -0.028 109 HB3 ASP 14 1HB ASP 14 -11.617 0.675 0.067 110 H1 WMH 101 1HG AZH 3 -1.762 -1.360 4.297 111 H2 WMH 101 2HG AZH 3 -2.609 -0.573 2.970 112 H5 WMH 101 HD PRG 11 0.407 3.100 2.953 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -7.943 -0.463 1.811 2 HA2 GLY 1 2HA GLY 1 -7.160 -2.122 3.368 3 HA3 GLY 1 1HA GLY 1 -8.324 -3.254 2.677 4 H ARG 2 H ARG 2 -6.070 -1.067 1.111 5 HA ARG 2 HA ARG 2 -4.709 -3.399 -0.059 6 HB2 ARG 2 2HB ARG 2 -5.367 -0.837 -1.537 7 HB3 ARG 2 1HB ARG 2 -4.590 -2.261 -2.209 8 HG2 ARG 2 2HG ARG 2 -6.635 -3.537 -1.902 9 HG3 ARG 2 1HG ARG 2 -7.418 -2.129 -1.188 10 HD2 ARG 2 2HD ARG 2 -7.021 -0.920 -3.338 11 HD3 ARG 2 1HD ARG 2 -6.438 -2.439 -4.025 12 HE ARG 2 HE ARG 2 -9.028 -2.629 -2.794 13 HH11 ARG 2 1HH1 ARG 2 -7.438 -1.718 -5.835 14 HH12 ARG 2 2HH1 ARG 2 -8.759 -2.163 -6.793 15 HH21 ARG 2 1HH2 ARG 2 -10.819 -3.196 -4.111 16 HH22 ARG 2 2HH2 ARG 2 -10.732 -3.015 -5.801 17 H ALA 3 H AZH 3 -2.876 -3.242 1.075 18 HA ALA 3 HA AZH 3 -1.516 -0.646 1.201 19 HB1 ALA 3 1HB AZH 3 -0.171 -2.071 2.986 20 HB2 ALA 3 2HB AZH 3 -1.694 -2.940 3.068 21 H TYR 4 H TYR 4 0.401 -0.420 0.312 22 HA TYR 4 HA TYR 4 1.525 -2.659 -1.129 23 HB2 TYR 4 2HB TYR 4 2.220 0.286 -1.070 24 HB3 TYR 4 1HB TYR 4 3.142 -0.903 -1.989 25 HD1 TYR 4 1HD TYR 4 -0.023 0.903 -1.709 26 HD2 TYR 4 2HD TYR 4 2.228 -1.843 -4.031 27 HE1 TYR 4 1HE TYR 4 -1.582 1.210 -3.551 28 HE2 TYR 4 2HE TYR 4 0.676 -1.554 -5.892 29 HH TYR 4 HH TYR 4 -1.747 -0.848 -6.167 30 H LYS 5 H LYS 5 3.472 -3.533 -0.737 31 HA LYS 5 HA LYS 5 4.486 -3.153 1.961 32 HB2 LYS 5 2HB LYS 5 5.162 -5.247 -0.112 33 HB3 LYS 5 1HB LYS 5 5.665 -5.257 1.573 34 HG2 LYS 5 2HG LYS 5 3.384 -5.473 2.298 35 HG3 LYS 5 1HG LYS 5 2.812 -5.367 0.631 36 HD2 LYS 5 2HD LYS 5 4.060 -7.414 0.119 37 HD3 LYS 5 1HD LYS 5 4.543 -7.527 1.814 38 HE2 LYS 5 2HE LYS 5 1.717 -7.577 0.758 39 HE3 LYS 5 1HE LYS 5 2.623 -8.968 1.341 40 HZ1 LYS 5 1HZ LYS 5 1.849 -6.608 2.979 41 HZ2 LYS 5 2HZ LYS 5 2.712 -7.940 3.535 42 HZ3 LYS 5 3HZ LYS 5 1.120 -8.119 3.042 43 H SER 6 H SER 6 5.498 -3.132 -1.394 44 HA SER 6 HA SER 6 8.153 -2.403 -0.955 45 HB2 SER 6 2HB SER 6 6.370 -1.900 -3.348 46 HB3 SER 6 1HB SER 6 8.138 -1.883 -3.338 47 HG SER 6 HG SER 6 7.735 -3.873 -3.957 48 H LYS 7 H LYS 7 8.993 -0.508 -0.493 49 HA LYS 7 HA LYS 7 7.261 1.572 0.427 50 HB2 LYS 7 2HB LYS 7 10.271 1.603 0.242 51 HB3 LYS 7 1HB LYS 7 9.261 2.580 1.295 52 HG2 LYS 7 2HG LYS 7 9.661 -0.405 1.460 53 HG3 LYS 7 1HG LYS 7 10.313 0.801 2.562 54 HD2 LYS 7 2HD LYS 7 8.049 1.392 3.257 55 HD3 LYS 7 1HD LYS 7 7.386 0.209 2.127 56 HE2 LYS 7 2HE LYS 7 9.184 -0.379 4.469 57 HE3 LYS 7 1HE LYS 7 7.448 -0.664 4.410 58 HZ1 LYS 7 1HZ LYS 7 8.595 -2.708 3.980 59 HZ2 LYS 7 2HZ LYS 7 9.530 -2.040 2.767 60 HZ3 LYS 7 3HZ LYS 7 7.864 -2.222 2.552 61 HA PRO 8 HA PRO 8 7.451 3.920 0.868 62 HB2 PRO 8 2HB PRO 8 5.578 5.725 0.092 63 HB3 PRO 8 1HB PRO 8 7.306 6.091 0.105 64 HG2 PRO 8 2HG PRO 8 5.550 5.306 -2.186 65 HG3 PRO 8 1HG PRO 8 6.812 6.548 -2.123 66 HD2 PRO 8 2HD PRO 8 7.216 4.101 -3.225 67 HD3 PRO 8 1HD PRO 8 8.508 5.017 -2.427 68 HA PRO 9 HA PRO 9 3.904 1.315 1.162 69 HB2 PRO 9 2HB PRO 9 3.140 1.865 3.712 70 HB3 PRO 9 1HB PRO 9 4.547 0.869 3.328 71 HG2 PRO 9 2HG PRO 9 4.421 3.706 4.209 72 HG3 PRO 9 1HG PRO 9 5.632 2.468 4.574 73 HD2 PRO 9 2HD PRO 9 5.921 4.479 2.693 74 HD3 PRO 9 1HD PRO 9 6.855 2.973 2.719 75 H ILE 10 H ILE 10 2.584 2.226 -0.267 76 HA ILE 10 HA ILE 10 0.856 4.447 0.477 77 HB ILE 10 HB ILE 10 0.957 2.776 -2.059 78 HG12 ILE 10 2HG1 ILE 10 3.048 3.985 -1.827 79 HG13 ILE 10 1HG1 ILE 10 2.091 4.720 -3.105 80 HG21 ILE 10 1HG2 ILE 10 -0.344 4.567 -3.103 81 HG22 ILE 10 2HG2 ILE 10 -0.473 5.372 -1.535 82 HG23 ILE 10 3HG2 ILE 10 -1.205 3.781 -1.777 83 HD11 ILE 10 1HD1 ILE 10 3.179 6.411 -1.762 84 HD12 ILE 10 2HD1 ILE 10 2.437 5.766 -0.302 85 HD13 ILE 10 3HD1 ILE 10 1.430 6.501 -1.549 86 H ALA 11 H PRG 11 -1.272 4.068 1.141 87 HA ALA 11 HA PRG 11 -2.215 1.333 0.804 88 HB1 ALA 11 1HB PRG 11 -3.246 1.333 3.024 89 HB2 ALA 11 2HB PRG 11 -2.648 2.947 3.334 90 H PHE 12 H PHE 12 -4.289 1.155 0.379 91 HA PHE 12 HA PHE 12 -5.817 3.633 0.108 92 HB2 PHE 12 2HB PHE 12 -6.268 0.948 -1.244 93 HB3 PHE 12 1HB PHE 12 -7.307 2.346 -1.425 94 HD1 PHE 12 1HD PHE 12 -6.157 4.506 -2.325 95 HD2 PHE 12 2HD PHE 12 -4.570 0.580 -2.802 96 HE1 PHE 12 1HE PHE 12 -4.845 5.272 -4.239 97 HE2 PHE 12 2HE PHE 12 -3.253 1.349 -4.722 98 HZ PHE 12 HZ PHE 12 -3.380 3.700 -5.440 99 HA PRO 13 HA PRO 13 -8.093 2.430 3.773 100 HB2 PRO 13 2HB PRO 13 -10.497 3.591 2.736 101 HB3 PRO 13 1HB PRO 13 -9.424 4.232 3.970 102 HG2 PRO 13 2HG PRO 13 -9.624 4.939 1.140 103 HG3 PRO 13 1HG PRO 13 -8.849 5.819 2.460 104 HD2 PRO 13 2HD PRO 13 -7.529 4.566 0.432 105 HD3 PRO 13 1HD PRO 13 -6.819 4.880 2.026 106 H ASP 14 H ASP 14 -9.069 1.528 0.613 107 HA ASP 14 HA ASP 14 -11.269 -0.156 1.211 108 HB2 ASP 14 2HB ASP 14 -10.794 0.530 -1.085 109 HB3 ASP 14 1HB ASP 14 -9.248 -0.303 -1.044 110 H1 WMH 101 1HG AZH 3 -1.918 -1.385 4.735 111 H2 WMH 101 2HG AZH 3 -2.746 -0.602 3.397 112 H5 WMH 101 HD PRG 11 0.065 3.219 3.658 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -8.152 -0.728 1.921 2 HA2 GLY 1 2HA GLY 1 -7.292 -2.666 2.903 3 HA3 GLY 1 1HA GLY 1 -8.398 -3.621 1.922 4 H ARG 2 H ARG 2 -5.996 -1.163 1.107 5 HA ARG 2 HA ARG 2 -4.649 -3.183 -0.535 6 HB2 ARG 2 2HB ARG 2 -6.310 -1.730 -1.788 7 HB3 ARG 2 1HB ARG 2 -5.216 -0.397 -1.475 8 HG2 ARG 2 2HG ARG 2 -3.453 -1.500 -2.723 9 HG3 ARG 2 1HG ARG 2 -4.507 -2.887 -3.014 10 HD2 ARG 2 2HD ARG 2 -4.829 -0.067 -4.036 11 HD3 ARG 2 1HD ARG 2 -4.592 -1.537 -4.981 12 HE ARG 2 HE ARG 2 -7.021 -1.200 -3.347 13 HH11 ARG 2 1HH1 ARG 2 -5.670 -1.692 -6.614 14 HH12 ARG 2 2HH1 ARG 2 -7.229 -1.856 -7.286 15 HH21 ARG 2 1HH2 ARG 2 -8.966 -1.440 -4.279 16 HH22 ARG 2 2HH2 ARG 2 -9.153 -1.726 -5.965 17 H ALA 3 H AZH 3 -2.888 -3.261 0.722 18 HA ALA 3 HA AZH 3 -1.488 -0.768 1.313 19 HB1 ALA 3 1HB AZH 3 -0.140 -2.556 2.767 20 HB2 ALA 3 2HB AZH 3 -1.693 -3.364 2.719 21 H TYR 4 H TYR 4 0.359 -0.345 0.486 22 HA TYR 4 HA TYR 4 1.713 -2.408 -1.030 23 HB2 TYR 4 2HB TYR 4 1.923 0.609 -1.039 24 HB3 TYR 4 1HB TYR 4 3.117 -0.418 -1.825 25 HD1 TYR 4 1HD TYR 4 -0.455 0.572 -1.859 26 HD2 TYR 4 2HD TYR 4 2.691 -1.395 -3.924 27 HE1 TYR 4 1HE TYR 4 -1.859 0.437 -3.875 28 HE2 TYR 4 2HE TYR 4 1.312 -1.519 -5.931 29 HH TYR 4 HH TYR 4 -1.478 0.238 -6.356 30 H LYS 5 H LYS 5 2.957 -3.510 0.206 31 HA LYS 5 HA LYS 5 4.163 -2.289 2.528 32 HB2 LYS 5 2HB LYS 5 4.160 -5.149 1.558 33 HB3 LYS 5 1HB LYS 5 4.925 -4.613 3.051 34 HG2 LYS 5 2HG LYS 5 2.743 -3.834 3.884 35 HG3 LYS 5 1HG LYS 5 1.988 -4.397 2.400 36 HD2 LYS 5 2HD LYS 5 3.455 -6.157 4.367 37 HD3 LYS 5 1HD LYS 5 1.705 -5.951 4.303 38 HE2 LYS 5 2HE LYS 5 1.694 -6.828 2.023 39 HE3 LYS 5 1HE LYS 5 3.443 -7.051 2.095 40 HZ1 LYS 5 1HZ LYS 5 2.367 -9.111 2.532 41 HZ2 LYS 5 2HZ LYS 5 1.375 -8.443 3.703 42 HZ3 LYS 5 3HZ LYS 5 3.024 -8.584 3.990 43 H SER 6 H SER 6 4.864 -2.709 -0.632 44 HA SER 6 HA SER 6 7.746 -2.698 -0.410 45 HB2 SER 6 2HB SER 6 5.939 -2.055 -2.764 46 HB3 SER 6 1HB SER 6 7.640 -2.525 -2.830 47 HG SER 6 HG SER 6 7.094 -4.514 -2.700 48 H LYS 7 H LYS 7 8.814 -0.619 -1.476 49 HA LYS 7 HA LYS 7 7.367 1.608 -0.300 50 HB2 LYS 7 2HB LYS 7 9.513 2.875 -0.444 51 HB3 LYS 7 1HB LYS 7 9.565 1.458 0.590 52 HG2 LYS 7 2HG LYS 7 10.759 0.235 -1.134 53 HG3 LYS 7 1HG LYS 7 10.650 1.631 -2.213 54 HD2 LYS 7 2HD LYS 7 12.857 1.510 -1.145 55 HD3 LYS 7 1HD LYS 7 11.984 2.952 -0.640 56 HE2 LYS 7 2HE LYS 7 11.349 1.830 1.457 57 HE3 LYS 7 1HE LYS 7 12.218 0.387 0.938 58 HZ1 LYS 7 1HZ LYS 7 13.456 1.811 2.488 59 HZ2 LYS 7 2HZ LYS 7 13.491 3.032 1.315 60 HZ3 LYS 7 3HZ LYS 7 14.248 1.558 1.033 61 HA PRO 8 HA PRO 8 7.629 3.911 -0.332 62 HB2 PRO 8 2HB PRO 8 5.432 5.520 -1.362 63 HB3 PRO 8 1HB PRO 8 7.057 6.037 -0.912 64 HG2 PRO 8 2HG PRO 8 6.204 6.025 -3.470 65 HG3 PRO 8 1HG PRO 8 7.891 5.714 -3.033 66 HD2 PRO 8 2HD PRO 8 5.722 3.746 -3.695 67 HD3 PRO 8 1HD PRO 8 7.400 3.789 -4.276 68 HA PRO 9 HA PRO 9 4.249 1.589 1.399 69 HB2 PRO 9 2HB PRO 9 4.203 2.792 3.862 70 HB3 PRO 9 1HB PRO 9 5.368 1.543 3.417 71 HG2 PRO 9 2HG PRO 9 5.696 4.511 3.477 72 HG3 PRO 9 1HG PRO 9 6.840 3.252 3.971 73 HD2 PRO 9 2HD PRO 9 7.044 4.565 1.627 74 HD3 PRO 9 1HD PRO 9 7.534 2.869 1.798 75 H ILE 10 H ILE 10 2.302 2.034 0.680 76 HA ILE 10 HA ILE 10 0.920 4.353 1.715 77 HB ILE 10 HB ILE 10 1.698 5.128 -0.467 78 HG12 ILE 10 2HG1 ILE 10 -0.494 5.581 -1.617 79 HG13 ILE 10 1HG1 ILE 10 -1.248 4.463 -0.491 80 HG21 ILE 10 1HG2 ILE 10 1.072 4.060 -2.577 81 HG22 ILE 10 2HG2 ILE 10 0.400 2.704 -1.671 82 HG23 ILE 10 3HG2 ILE 10 2.126 3.053 -1.584 83 HD11 ILE 10 1HD1 ILE 10 -1.566 6.780 0.176 84 HD12 ILE 10 2HD1 ILE 10 0.181 7.002 0.258 85 HD13 ILE 10 3HD1 ILE 10 -0.622 5.894 1.373 86 H ALA 11 H PRG 11 -1.141 3.856 2.313 87 HA ALA 11 HA PRG 11 -2.124 1.268 1.410 88 HB1 ALA 11 1HB PRG 11 -3.100 0.867 3.628 89 HB2 ALA 11 2HB PRG 11 -2.437 2.381 4.211 90 H PHE 12 H PHE 12 -3.941 1.342 0.517 91 HA PHE 12 HA PHE 12 -5.493 3.775 0.640 92 HB2 PHE 12 2HB PHE 12 -5.726 1.417 -1.253 93 HB3 PHE 12 1HB PHE 12 -6.635 2.910 -1.357 94 HD1 PHE 12 1HD PHE 12 -3.349 1.368 -1.864 95 HD2 PHE 12 2HD PHE 12 -5.631 4.942 -2.159 96 HE1 PHE 12 1HE PHE 12 -1.586 2.386 -3.263 97 HE2 PHE 12 2HE PHE 12 -3.868 5.951 -3.557 98 HZ PHE 12 HZ PHE 12 -1.854 4.672 -4.105 99 HA PRO 13 HA PRO 13 -8.220 1.970 3.639 100 HB2 PRO 13 2HB PRO 13 -10.362 3.619 2.485 101 HB3 PRO 13 1HB PRO 13 -9.678 3.614 4.112 102 HG2 PRO 13 2HG PRO 13 -9.164 5.594 2.382 103 HG3 PRO 13 1HG PRO 13 -7.955 5.022 3.540 104 HD2 PRO 13 2HD PRO 13 -8.186 4.485 0.619 105 HD3 PRO 13 1HD PRO 13 -6.753 4.779 1.633 106 H ASP 14 H ASP 14 -8.517 1.058 0.519 107 HA ASP 14 HA ASP 14 -11.086 -0.288 0.934 108 HB2 ASP 14 2HB ASP 14 -11.051 -0.856 -1.417 109 HB3 ASP 14 1HB ASP 14 -10.685 0.856 -1.267 110 H1 WMH 101 1HG AZH 3 -1.813 -2.146 4.659 111 H2 WMH 101 2HG AZH 3 -2.650 -1.108 3.506 112 H5 WMH 101 HD PRG 11 0.334 2.525 4.352 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -7.865 -0.355 1.917 2 HA2 GLY 1 2HA GLY 1 -7.101 -2.045 3.449 3 HA3 GLY 1 1HA GLY 1 -8.263 -3.158 2.730 4 H ARG 2 H ARG 2 -6.328 -0.986 0.846 5 HA ARG 2 HA ARG 2 -4.965 -3.334 -0.278 6 HB2 ARG 2 2HB ARG 2 -5.498 -0.692 -1.654 7 HB3 ARG 2 1HB ARG 2 -4.824 -2.140 -2.388 8 HG2 ARG 2 2HG ARG 2 -6.923 -3.322 -2.012 9 HG3 ARG 2 1HG ARG 2 -7.598 -1.881 -1.261 10 HD2 ARG 2 2HD ARG 2 -7.231 -0.679 -3.409 11 HD3 ARG 2 1HD ARG 2 -6.742 -2.215 -4.127 12 HE ARG 2 HE ARG 2 -9.256 -2.393 -2.807 13 HH11 ARG 2 1HH1 ARG 2 -7.779 -1.350 -5.865 14 HH12 ARG 2 2HH1 ARG 2 -9.227 -1.499 -6.746 15 HH21 ARG 2 1HH2 ARG 2 -11.196 -2.622 -4.035 16 HH22 ARG 2 2HH2 ARG 2 -11.199 -2.212 -5.699 17 H ALA 3 H AZH 3 -3.174 -3.388 0.863 18 HA ALA 3 HA AZH 3 -1.521 -0.981 1.076 19 HB1 ALA 3 1HB AZH 3 -0.312 -2.661 2.763 20 HB2 ALA 3 2HB AZH 3 -1.948 -3.289 2.853 21 H TYR 4 H TYR 4 0.345 -0.865 0.207 22 HA TYR 4 HA TYR 4 1.439 -3.115 -1.250 23 HB2 TYR 4 2HB TYR 4 2.083 -0.170 -1.123 24 HB3 TYR 4 1HB TYR 4 3.181 -1.312 -1.893 25 HD1 TYR 4 1HD TYR 4 2.755 -2.090 -4.072 26 HD2 TYR 4 2HD TYR 4 -0.222 0.149 -2.028 27 HE1 TYR 4 1HE TYR 4 1.496 -1.889 -6.153 28 HE2 TYR 4 2HE TYR 4 -1.499 0.356 -4.107 29 HH TYR 4 HH TYR 4 -0.761 -1.506 -6.850 30 H LYS 5 H LYS 5 3.531 -3.892 -0.838 31 HA LYS 5 HA LYS 5 4.516 -3.217 1.814 32 HB2 LYS 5 2HB LYS 5 5.909 -5.352 1.612 33 HB3 LYS 5 1HB LYS 5 4.182 -5.546 1.792 34 HG2 LYS 5 2HG LYS 5 4.983 -7.156 0.220 35 HG3 LYS 5 1HG LYS 5 4.028 -5.968 -0.657 36 HD2 LYS 5 2HD LYS 5 6.096 -4.899 -1.429 37 HD3 LYS 5 1HD LYS 5 7.046 -6.069 -0.514 38 HE2 LYS 5 2HE LYS 5 5.138 -6.733 -2.752 39 HE3 LYS 5 1HE LYS 5 6.893 -6.655 -2.903 40 HZ1 LYS 5 1HZ LYS 5 7.034 -8.460 -1.257 41 HZ2 LYS 5 2HZ LYS 5 6.179 -8.942 -2.608 42 HZ3 LYS 5 3HZ LYS 5 5.363 -8.565 -1.194 43 H SER 6 H SER 6 4.980 -2.317 -1.174 44 HA SER 6 HA SER 6 7.844 -2.043 -1.083 45 HB2 SER 6 2HB SER 6 5.812 -0.988 -3.068 46 HB3 SER 6 1HB SER 6 7.563 -1.013 -3.286 47 HG SER 6 HG SER 6 7.552 -3.161 -3.412 48 H LYS 7 H LYS 7 8.824 -0.222 -0.382 49 HA LYS 7 HA LYS 7 7.174 1.941 0.665 50 HB2 LYS 7 2HB LYS 7 10.057 1.150 1.138 51 HB3 LYS 7 1HB LYS 7 9.456 2.725 1.608 52 HG2 LYS 7 2HG LYS 7 9.480 1.251 3.525 53 HG3 LYS 7 1HG LYS 7 7.822 1.644 3.117 54 HD2 LYS 7 2HD LYS 7 7.971 -0.689 3.705 55 HD3 LYS 7 1HD LYS 7 7.634 -0.557 1.981 56 HE2 LYS 7 2HE LYS 7 9.953 -0.981 1.461 57 HE3 LYS 7 1HE LYS 7 10.368 -1.005 3.172 58 HZ1 LYS 7 1HZ LYS 7 10.149 -3.227 2.275 59 HZ2 LYS 7 2HZ LYS 7 8.549 -2.922 1.815 60 HZ3 LYS 7 3HZ LYS 7 8.970 -2.941 3.442 61 HA PRO 8 HA PRO 8 7.409 4.340 1.173 62 HB2 PRO 8 2HB PRO 8 5.840 5.894 -0.812 63 HB3 PRO 8 1HB PRO 8 6.695 6.464 0.626 64 HG2 PRO 8 2HG PRO 8 7.661 6.958 -1.799 65 HG3 PRO 8 1HG PRO 8 8.744 6.535 -0.458 66 HD2 PRO 8 2HD PRO 8 7.728 4.811 -2.689 67 HD3 PRO 8 1HD PRO 8 9.376 4.933 -2.034 68 HA PRO 9 HA PRO 9 4.154 1.466 0.563 69 HB2 PRO 9 2HB PRO 9 3.092 1.506 3.039 70 HB3 PRO 9 1HB PRO 9 4.663 0.777 2.694 71 HG2 PRO 9 2HG PRO 9 4.028 3.405 3.938 72 HG3 PRO 9 1HG PRO 9 5.350 2.283 4.298 73 HD2 PRO 9 2HD PRO 9 5.550 4.577 2.751 74 HD3 PRO 9 1HD PRO 9 6.695 3.226 2.732 75 H ILE 10 H ILE 10 2.465 1.867 -0.572 76 HA ILE 10 HA ILE 10 0.722 4.124 0.052 77 HB ILE 10 HB ILE 10 0.828 2.314 -2.382 78 HG12 ILE 10 2HG1 ILE 10 1.693 5.201 -2.048 79 HG13 ILE 10 1HG1 ILE 10 2.777 3.821 -2.156 80 HG21 ILE 10 1HG2 ILE 10 -0.718 3.923 -3.419 81 HG22 ILE 10 2HG2 ILE 10 -0.843 4.778 -1.876 82 HG23 ILE 10 3HG2 ILE 10 -1.420 3.114 -2.016 83 HD11 ILE 10 1HD1 ILE 10 2.002 3.398 -4.435 84 HD12 ILE 10 2HD1 ILE 10 2.657 5.027 -4.262 85 HD13 ILE 10 3HD1 ILE 10 0.911 4.777 -4.318 86 H ALA 11 H PRG 11 -1.102 3.725 1.207 87 HA ALA 11 HA PRG 11 -2.303 1.088 0.886 88 HB1 ALA 11 1HB PRG 11 -3.018 1.094 3.232 89 HB2 ALA 11 2HB PRG 11 -2.219 2.630 3.490 90 H PHE 12 H PHE 12 -4.152 1.246 0.064 91 HA PHE 12 HA PHE 12 -5.657 3.722 0.217 92 HB2 PHE 12 2HB PHE 12 -6.253 1.149 -1.281 93 HB3 PHE 12 1HB PHE 12 -7.239 2.601 -1.351 94 HD1 PHE 12 1HD PHE 12 -4.361 0.896 -2.680 95 HD2 PHE 12 2HD PHE 12 -6.234 4.707 -2.290 96 HE1 PHE 12 1HE PHE 12 -2.995 1.763 -4.528 97 HE2 PHE 12 2HE PHE 12 -4.867 5.566 -4.135 98 HZ PHE 12 HZ PHE 12 -3.244 4.094 -5.254 99 HA PRO 13 HA PRO 13 -7.900 2.490 3.890 100 HB2 PRO 13 2HB PRO 13 -10.062 4.004 2.502 101 HB3 PRO 13 1HB PRO 13 -9.502 4.128 4.176 102 HG2 PRO 13 2HG PRO 13 -8.756 5.963 2.465 103 HG3 PRO 13 1HG PRO 13 -7.554 5.271 3.569 104 HD2 PRO 13 2HD PRO 13 -7.981 4.714 0.657 105 HD3 PRO 13 1HD PRO 13 -6.471 4.894 1.579 106 H ASP 14 H ASP 14 -8.854 1.581 0.789 107 HA ASP 14 HA ASP 14 -11.195 0.046 1.385 108 HB2 ASP 14 2HB ASP 14 -10.673 0.758 -0.914 109 HB3 ASP 14 1HB ASP 14 -9.197 -0.198 -0.886 110 H1 WMH 101 1HG AZH 3 -1.793 -1.780 4.589 111 H2 WMH 101 2HG AZH 3 -2.676 -0.904 3.337 112 H5 WMH 101 HD PRG 11 0.531 2.624 3.341 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -8.040 -0.538 1.496 2 HA2 GLY 1 2HA GLY 1 -7.428 -2.383 2.899 3 HA3 GLY 1 1HA GLY 1 -8.499 -3.402 1.946 4 H ARG 2 H ARG 2 -6.027 -1.045 1.056 5 HA ARG 2 HA ARG 2 -4.581 -3.178 -0.334 6 HB2 ARG 2 2HB ARG 2 -5.125 -0.461 -1.578 7 HB3 ARG 2 1HB ARG 2 -4.302 -1.819 -2.321 8 HG2 ARG 2 2HG ARG 2 -6.367 -3.105 -2.294 9 HG3 ARG 2 1HG ARG 2 -7.201 -1.758 -1.533 10 HD2 ARG 2 2HD ARG 2 -6.650 -0.388 -3.545 11 HD3 ARG 2 1HD ARG 2 -6.006 -1.855 -4.296 12 HE ARG 2 HE ARG 2 -8.711 -1.915 -3.235 13 HH11 ARG 2 1HH1 ARG 2 -6.672 -1.845 -6.132 14 HH12 ARG 2 2HH1 ARG 2 -7.925 -2.320 -7.178 15 HH21 ARG 2 1HH2 ARG 2 -10.392 -2.577 -4.650 16 HH22 ARG 2 2HH2 ARG 2 -10.092 -2.792 -6.304 17 H ALA 3 H AZH 3 -2.785 -3.175 0.864 18 HA ALA 3 HA AZH 3 -1.437 -0.615 1.257 19 HB1 ALA 3 1HB AZH 3 -0.263 -2.126 3.117 20 HB2 ALA 3 2HB AZH 3 -1.834 -2.908 3.103 21 H TYR 4 H TYR 4 0.499 -0.417 0.522 22 HA TYR 4 HA TYR 4 1.694 -2.670 -0.837 23 HB2 TYR 4 2HB TYR 4 2.142 0.300 -0.981 24 HB3 TYR 4 1HB TYR 4 3.255 -0.844 -1.740 25 HD1 TYR 4 1HD TYR 4 2.392 -2.309 -3.571 26 HD2 TYR 4 2HD TYR 4 0.079 0.862 -1.945 27 HE1 TYR 4 1HE TYR 4 0.950 -2.365 -5.546 28 HE2 TYR 4 2HE TYR 4 -1.375 0.814 -3.920 29 HH TYR 4 HH TYR 4 -1.211 0.118 -6.254 30 H LYS 5 H LYS 5 3.389 -3.675 -0.096 31 HA LYS 5 HA LYS 5 4.650 -2.749 2.352 32 HB2 LYS 5 2HB LYS 5 4.823 -5.328 0.801 33 HB3 LYS 5 1HB LYS 5 5.818 -4.994 2.210 34 HG2 LYS 5 2HG LYS 5 3.869 -4.817 3.618 35 HG3 LYS 5 1HG LYS 5 2.805 -4.977 2.225 36 HD2 LYS 5 2HD LYS 5 4.782 -7.102 3.029 37 HD3 LYS 5 1HD LYS 5 3.131 -7.053 3.652 38 HE2 LYS 5 2HE LYS 5 3.871 -7.200 0.722 39 HE3 LYS 5 1HE LYS 5 3.408 -8.579 1.715 40 HZ1 LYS 5 1HZ LYS 5 1.700 -6.210 1.215 41 HZ2 LYS 5 2HZ LYS 5 1.241 -7.549 2.077 42 HZ3 LYS 5 3HZ LYS 5 1.531 -7.668 0.416 43 H SER 6 H SER 6 5.125 -2.704 -0.958 44 HA SER 6 HA SER 6 7.973 -2.383 -0.862 45 HB2 SER 6 2HB SER 6 5.997 -1.794 -3.082 46 HB3 SER 6 1HB SER 6 7.753 -1.941 -3.243 47 HG SER 6 HG SER 6 7.160 -4.078 -2.088 48 H LYS 7 H LYS 7 9.018 -0.482 -0.822 49 HA LYS 7 HA LYS 7 7.522 1.755 0.206 50 HB2 LYS 7 2HB LYS 7 10.466 1.149 -0.068 51 HB3 LYS 7 1HB LYS 7 9.925 2.769 0.312 52 HG2 LYS 7 2HG LYS 7 10.611 1.529 2.322 53 HG3 LYS 7 1HG LYS 7 8.925 1.996 2.397 54 HD2 LYS 7 2HD LYS 7 9.189 -0.253 3.266 55 HD3 LYS 7 1HD LYS 7 8.303 -0.325 1.744 56 HE2 LYS 7 2HE LYS 7 10.372 -0.974 0.588 57 HE3 LYS 7 1HE LYS 7 11.242 -0.899 2.116 58 HZ1 LYS 7 1HZ LYS 7 10.583 -3.176 1.519 59 HZ2 LYS 7 2HZ LYS 7 8.960 -2.748 1.574 60 HZ3 LYS 7 3HZ LYS 7 9.892 -2.689 2.964 61 HA PRO 8 HA PRO 8 7.483 4.017 0.324 62 HB2 PRO 8 2HB PRO 8 5.504 5.624 -0.567 63 HB3 PRO 8 1HB PRO 8 7.207 6.083 -0.659 64 HG2 PRO 8 2HG PRO 8 5.419 4.972 -2.778 65 HG3 PRO 8 1HG PRO 8 6.624 6.264 -2.900 66 HD2 PRO 8 2HD PRO 8 7.084 3.710 -3.722 67 HD3 PRO 8 1HD PRO 8 8.365 4.787 -3.131 68 HA PRO 9 HA PRO 9 4.065 1.116 0.794 69 HB2 PRO 9 2HB PRO 9 3.814 2.077 3.547 70 HB3 PRO 9 1HB PRO 9 4.327 0.488 2.975 71 HG2 PRO 9 2HG PRO 9 6.042 2.215 4.143 72 HG3 PRO 9 1HG PRO 9 6.545 1.094 2.865 73 HD2 PRO 9 2HD PRO 9 5.873 4.008 2.670 74 HD3 PRO 9 1HD PRO 9 7.226 3.100 1.954 75 H ILE 10 H ILE 10 2.534 2.118 -0.424 76 HA ILE 10 HA ILE 10 1.014 4.288 0.748 77 HB ILE 10 HB ILE 10 0.931 3.037 -2.008 78 HG12 ILE 10 2HG1 ILE 10 1.865 5.739 -1.031 79 HG13 ILE 10 1HG1 ILE 10 2.893 4.420 -1.570 80 HG21 ILE 10 1HG2 ILE 10 -1.296 3.743 -1.413 81 HG22 ILE 10 2HG2 ILE 10 -0.627 4.817 -2.645 82 HG23 ILE 10 3HG2 ILE 10 -0.707 5.345 -0.957 83 HD11 ILE 10 1HD1 ILE 10 0.940 5.963 -3.253 84 HD12 ILE 10 2HD1 ILE 10 1.936 4.621 -3.808 85 HD13 ILE 10 3HD1 ILE 10 2.698 6.123 -3.272 86 H ALA 11 H PRG 11 -1.062 4.067 1.501 87 HA ALA 11 HA PRG 11 -2.237 1.423 1.172 88 HB1 ALA 11 1HB PRG 11 -3.183 1.527 3.435 89 HB2 ALA 11 2HB PRG 11 -2.412 3.076 3.703 90 H PHE 12 H PHE 12 -4.412 1.297 1.175 91 HA PHE 12 HA PHE 12 -5.937 3.745 0.681 92 HB2 PHE 12 2HB PHE 12 -6.017 1.140 -0.855 93 HB3 PHE 12 1HB PHE 12 -7.221 2.398 -1.021 94 HD1 PHE 12 1HD PHE 12 -6.689 4.484 -2.165 95 HD2 PHE 12 2HD PHE 12 -3.807 1.373 -1.818 96 HE1 PHE 12 1HE PHE 12 -5.348 5.543 -3.917 97 HE2 PHE 12 2HE PHE 12 -2.455 2.446 -3.583 98 HZ PHE 12 HZ PHE 12 -3.226 4.522 -4.628 99 HA PRO 13 HA PRO 13 -8.475 2.009 3.987 100 HB2 PRO 13 2HB PRO 13 -10.686 3.499 2.666 101 HB3 PRO 13 1HB PRO 13 -10.107 3.596 4.332 102 HG2 PRO 13 2HG PRO 13 -9.571 5.543 2.612 103 HG3 PRO 13 1HG PRO 13 -8.350 5.008 3.780 104 HD2 PRO 13 2HD PRO 13 -8.577 4.396 0.858 105 HD3 PRO 13 1HD PRO 13 -7.142 4.787 1.832 106 H ASP 14 H ASP 14 -9.090 1.594 0.689 107 HA ASP 14 HA ASP 14 -11.340 -0.120 0.616 108 HB2 ASP 14 2HB ASP 14 -10.364 0.935 -1.382 109 HB3 ASP 14 1HB ASP 14 -8.890 0.008 -1.164 110 H1 WMH 101 1HG AZH 3 -2.121 -1.352 4.757 111 H2 WMH 101 2HG AZH 3 -2.742 -0.493 3.351 112 H5 WMH 101 HD PRG 11 0.304 3.100 3.972 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -8.069 -0.493 2.225 2 HA2 GLY 1 2HA GLY 1 -7.371 -2.315 3.637 3 HA3 GLY 1 1HA GLY 1 -8.497 -3.351 2.769 4 H ARG 2 H ARG 2 -6.753 -1.129 0.904 5 HA ARG 2 HA ARG 2 -5.250 -3.362 -0.262 6 HB2 ARG 2 2HB ARG 2 -6.127 -0.731 -1.470 7 HB3 ARG 2 1HB ARG 2 -5.129 -1.915 -2.295 8 HG2 ARG 2 2HG ARG 2 -6.924 -3.525 -2.254 9 HG3 ARG 2 1HG ARG 2 -7.916 -2.441 -1.279 10 HD2 ARG 2 2HD ARG 2 -6.907 -1.811 -4.045 11 HD3 ARG 2 1HD ARG 2 -8.505 -2.471 -3.710 12 HE ARG 2 HE ARG 2 -8.602 -0.320 -2.207 13 HH11 ARG 2 1HH1 ARG 2 -7.328 -0.571 -5.495 14 HH12 ARG 2 2HH1 ARG 2 -7.732 1.025 -5.907 15 HH21 ARG 2 1HH2 ARG 2 -9.187 1.856 -2.809 16 HH22 ARG 2 2HH2 ARG 2 -8.762 2.426 -4.373 17 H ALA 3 H AZH 3 -3.274 -3.396 0.559 18 HA ALA 3 HA AZH 3 -1.771 -0.889 0.775 19 HB1 ALA 3 1HB AZH 3 -0.473 -2.451 2.529 20 HB2 ALA 3 2HB AZH 3 -2.086 -3.128 2.680 21 H TYR 4 H TYR 4 0.299 -0.881 0.113 22 HA TYR 4 HA TYR 4 1.302 -3.304 -1.202 23 HB2 TYR 4 2HB TYR 4 1.884 -0.386 -1.761 24 HB3 TYR 4 1HB TYR 4 2.736 -1.727 -2.510 25 HD1 TYR 4 1HD TYR 4 1.599 -3.154 -4.129 26 HD2 TYR 4 2HD TYR 4 -0.315 0.247 -2.462 27 HE1 TYR 4 1HE TYR 4 -0.063 -3.239 -5.910 28 HE2 TYR 4 2HE TYR 4 -1.998 0.178 -4.240 29 HH TYR 4 HH TYR 4 -2.390 -2.485 -6.227 30 H LYS 5 H LYS 5 3.143 -4.128 -0.396 31 HA LYS 5 HA LYS 5 4.430 -2.582 1.694 32 HB2 LYS 5 2HB LYS 5 5.039 -5.452 0.906 33 HB3 LYS 5 1HB LYS 5 5.665 -4.598 2.297 34 HG2 LYS 5 2HG LYS 5 4.043 -5.964 3.237 35 HG3 LYS 5 1HG LYS 5 3.193 -4.433 3.051 36 HD2 LYS 5 2HD LYS 5 1.731 -6.198 2.331 37 HD3 LYS 5 1HD LYS 5 2.253 -5.312 0.898 38 HE2 LYS 5 2HE LYS 5 4.001 -7.062 0.519 39 HE3 LYS 5 1HE LYS 5 3.351 -7.945 1.895 40 HZ1 LYS 5 1HZ LYS 5 1.876 -7.282 -0.585 41 HZ2 LYS 5 2HZ LYS 5 1.267 -8.158 0.717 42 HZ3 LYS 5 3HZ LYS 5 2.515 -8.794 -0.200 43 H SER 6 H SER 6 5.324 -1.103 0.462 44 HA SER 6 HA SER 6 7.634 -1.876 -1.111 45 HB2 SER 6 2HB SER 6 6.881 -0.047 -2.725 46 HB3 SER 6 1HB SER 6 5.940 -1.538 -2.762 47 HG SER 6 HG SER 6 4.910 0.732 -2.574 48 H LYS 7 H LYS 7 8.967 0.207 -1.487 49 HA LYS 7 HA LYS 7 8.652 1.967 0.822 50 HB2 LYS 7 2HB LYS 7 11.123 1.072 -0.656 51 HB3 LYS 7 1HB LYS 7 11.126 2.557 0.273 52 HG2 LYS 7 2HG LYS 7 12.110 0.784 1.571 53 HG3 LYS 7 1HG LYS 7 10.587 1.263 2.302 54 HD2 LYS 7 2HD LYS 7 9.506 -0.701 1.312 55 HD3 LYS 7 1HD LYS 7 11.030 -1.159 0.553 56 HE2 LYS 7 2HE LYS 7 10.655 -2.444 2.593 57 HE3 LYS 7 1HE LYS 7 12.067 -1.398 2.744 58 HZ1 LYS 7 1HZ LYS 7 10.694 0.169 4.030 59 HZ2 LYS 7 2HZ LYS 7 10.730 -1.353 4.738 60 HZ3 LYS 7 3HZ LYS 7 9.370 -0.867 3.890 61 HA PRO 8 HA PRO 8 7.874 3.675 1.303 62 HB2 PRO 8 2HB PRO 8 5.930 5.649 0.629 63 HB3 PRO 8 1HB PRO 8 7.457 5.901 1.472 64 HG2 PRO 8 2HG PRO 8 6.848 6.861 -1.068 65 HG3 PRO 8 1HG PRO 8 8.478 6.701 -0.402 66 HD2 PRO 8 2HD PRO 8 7.004 4.902 -2.269 67 HD3 PRO 8 1HD PRO 8 8.727 5.329 -2.231 68 HA PRO 9 HA PRO 9 4.286 1.136 0.635 69 HB2 PRO 9 2HB PRO 9 3.200 1.787 3.250 70 HB3 PRO 9 1HB PRO 9 3.956 0.288 2.715 71 HG2 PRO 9 2HG PRO 9 5.094 1.991 4.516 72 HG3 PRO 9 1HG PRO 9 6.024 0.917 3.459 73 HD2 PRO 9 2HD PRO 9 5.483 3.837 3.202 74 HD3 PRO 9 1HD PRO 9 6.959 2.915 2.841 75 H ILE 10 H ILE 10 2.556 1.591 -0.503 76 HA ILE 10 HA ILE 10 1.040 4.049 0.060 77 HB ILE 10 HB ILE 10 1.196 2.397 -2.486 78 HG12 ILE 10 2HG1 ILE 10 3.239 3.666 -2.126 79 HG13 ILE 10 1HG1 ILE 10 2.333 4.361 -3.462 80 HG21 ILE 10 1HG2 ILE 10 -0.300 4.968 -1.996 81 HG22 ILE 10 2HG2 ILE 10 -1.016 3.379 -2.262 82 HG23 ILE 10 3HG2 ILE 10 -0.120 4.172 -3.559 83 HD11 ILE 10 1HD1 ILE 10 2.497 5.442 -0.651 84 HD12 ILE 10 2HD1 ILE 10 1.530 6.133 -1.952 85 HD13 ILE 10 3HD1 ILE 10 3.288 6.100 -2.083 86 H ALA 11 H PRG 11 -1.063 3.852 0.713 87 HA ALA 11 HA PRG 11 -2.292 1.209 0.440 88 HB1 ALA 11 1HB PRG 11 -3.169 1.260 2.712 89 HB2 ALA 11 2HB PRG 11 -2.401 2.803 3.011 90 H PHE 12 H PHE 12 -4.491 1.203 0.498 91 HA PHE 12 HA PHE 12 -5.843 3.780 0.319 92 HB2 PHE 12 2HB PHE 12 -6.429 1.258 -1.272 93 HB3 PHE 12 1HB PHE 12 -7.412 2.713 -1.302 94 HD1 PHE 12 1HD PHE 12 -6.518 4.784 -2.315 95 HD2 PHE 12 2HD PHE 12 -4.421 1.088 -2.548 96 HE1 PHE 12 1HE PHE 12 -5.150 5.676 -4.151 97 HE2 PHE 12 2HE PHE 12 -3.050 1.985 -4.386 98 HZ PHE 12 HZ PHE 12 -3.412 4.274 -5.186 99 HA PRO 13 HA PRO 13 -7.897 2.206 3.940 100 HB2 PRO 13 2HB PRO 13 -10.214 3.845 3.106 101 HB3 PRO 13 1HB PRO 13 -9.283 3.886 4.602 102 HG2 PRO 13 2HG PRO 13 -8.984 5.791 2.774 103 HG3 PRO 13 1HG PRO 13 -7.593 5.174 3.684 104 HD2 PRO 13 2HD PRO 13 -8.440 4.589 0.875 105 HD3 PRO 13 1HD PRO 13 -6.818 4.866 1.556 106 H ASP 14 H ASP 14 -8.880 1.358 0.956 107 HA ASP 14 HA ASP 14 -11.337 -0.036 1.539 108 HB2 ASP 14 2HB ASP 14 -9.337 -0.506 -0.672 109 HB3 ASP 14 1HB ASP 14 -10.964 -1.155 -0.596 110 H1 WMH 101 1HG AZH 3 -2.057 -1.565 4.345 111 H2 WMH 101 2HG AZH 3 -2.852 -0.710 3.027 112 H5 WMH 101 HD PRG 11 0.349 2.809 3.087 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -8.049 -0.350 1.570 2 HA2 GLY 1 2HA GLY 1 -7.504 -2.080 3.143 3 HA3 GLY 1 1HA GLY 1 -8.701 -3.110 2.351 4 H ARG 2 H ARG 2 -6.116 -1.063 1.130 5 HA ARG 2 HA ARG 2 -5.082 -3.401 -0.311 6 HB2 ARG 2 2HB ARG 2 -6.570 -1.684 -1.618 7 HB3 ARG 2 1HB ARG 2 -5.151 -0.660 -1.515 8 HG2 ARG 2 2HG ARG 2 -5.197 -1.769 -3.645 9 HG3 ARG 2 1HG ARG 2 -3.849 -2.397 -2.690 10 HD2 ARG 2 2HD ARG 2 -5.206 -4.134 -3.899 11 HD3 ARG 2 1HD ARG 2 -5.048 -4.394 -2.163 12 HE ARG 2 HE ARG 2 -7.397 -2.958 -3.108 13 HH11 ARG 2 1HH1 ARG 2 -6.082 -6.067 -2.037 14 HH12 ARG 2 2HH1 ARG 2 -7.570 -6.630 -1.422 15 HH21 ARG 2 1HH2 ARG 2 -9.414 -3.701 -2.152 16 HH22 ARG 2 2HH2 ARG 2 -9.483 -5.280 -1.509 17 H ALA 3 H AZH 3 -3.188 -3.622 0.772 18 HA ALA 3 HA AZH 3 -1.583 -1.215 1.252 19 HB1 ALA 3 1HB AZH 3 -0.349 -3.030 2.788 20 HB2 ALA 3 2HB AZH 3 -1.970 -3.699 2.814 21 H TYR 4 H TYR 4 0.300 -0.990 0.340 22 HA TYR 4 HA TYR 4 1.459 -3.312 -1.007 23 HB2 TYR 4 2HB TYR 4 1.572 -0.389 -1.799 24 HB3 TYR 4 1HB TYR 4 2.523 -1.657 -2.558 25 HD1 TYR 4 1HD TYR 4 -0.834 -0.220 -2.196 26 HD2 TYR 4 2HD TYR 4 1.493 -3.245 -4.071 27 HE1 TYR 4 1HE TYR 4 -2.668 -0.650 -3.769 28 HE2 TYR 4 2HE TYR 4 -0.324 -3.688 -5.644 29 HH TYR 4 HH TYR 4 -2.662 -3.389 -5.869 30 H LYS 5 H LYS 5 2.979 -3.992 0.355 31 HA LYS 5 HA LYS 5 4.450 -2.077 1.890 32 HB2 LYS 5 2HB LYS 5 4.468 -5.086 1.887 33 HB3 LYS 5 1HB LYS 5 5.413 -4.076 2.980 34 HG2 LYS 5 2HG LYS 5 3.403 -3.129 3.925 35 HG3 LYS 5 1HG LYS 5 2.410 -4.004 2.765 36 HD2 LYS 5 2HD LYS 5 2.431 -5.036 5.007 37 HD3 LYS 5 1HD LYS 5 3.047 -6.114 3.753 38 HE2 LYS 5 2HE LYS 5 5.268 -5.686 4.382 39 HE3 LYS 5 1HE LYS 5 4.795 -4.415 5.509 40 HZ1 LYS 5 1HZ LYS 5 3.667 -6.068 6.860 41 HZ2 LYS 5 2HZ LYS 5 5.266 -6.567 6.668 42 HZ3 LYS 5 3HZ LYS 5 4.045 -7.288 5.779 43 H SER 6 H SER 6 5.341 -1.140 0.113 44 HA SER 6 HA SER 6 7.958 -2.103 -0.508 45 HB2 SER 6 2HB SER 6 5.928 -1.314 -2.649 46 HB3 SER 6 1HB SER 6 7.640 -1.631 -2.939 47 HG SER 6 HG SER 6 6.638 -3.662 -1.600 48 H LYS 7 H LYS 7 9.004 -0.047 -1.676 49 HA LYS 7 HA LYS 7 8.153 2.151 0.014 50 HB2 LYS 7 2HB LYS 7 10.675 1.750 -1.607 51 HB3 LYS 7 1HB LYS 7 10.311 3.238 -0.758 52 HG2 LYS 7 2HG LYS 7 11.831 2.006 0.593 53 HG3 LYS 7 1HG LYS 7 10.253 1.910 1.366 54 HD2 LYS 7 2HD LYS 7 9.960 -0.348 0.457 55 HD3 LYS 7 1HD LYS 7 11.534 -0.219 -0.335 56 HE2 LYS 7 2HE LYS 7 12.622 0.025 1.819 57 HE3 LYS 7 1HE LYS 7 11.064 -0.066 2.635 58 HZ1 LYS 7 1HZ LYS 7 12.170 -2.172 2.715 59 HZ2 LYS 7 2HZ LYS 7 12.343 -2.237 1.053 60 HZ3 LYS 7 3HZ LYS 7 10.808 -2.319 1.749 61 HA PRO 8 HA PRO 8 7.709 4.031 0.338 62 HB2 PRO 8 2HB PRO 8 5.780 5.895 0.219 63 HB3 PRO 8 1HB PRO 8 7.422 6.257 -0.320 64 HG2 PRO 8 2HG PRO 8 5.007 5.557 -1.932 65 HG3 PRO 8 1HG PRO 8 6.232 6.798 -2.244 66 HD2 PRO 8 2HD PRO 8 6.197 4.337 -3.447 67 HD3 PRO 8 1HD PRO 8 7.671 5.294 -3.208 68 HA PRO 9 HA PRO 9 4.347 1.310 1.444 69 HB2 PRO 9 2HB PRO 9 3.969 2.939 3.883 70 HB3 PRO 9 1HB PRO 9 4.370 1.227 3.738 71 HG2 PRO 9 2HG PRO 9 6.195 3.013 4.531 72 HG3 PRO 9 1HG PRO 9 6.621 1.633 3.502 73 HD2 PRO 9 2HD PRO 9 6.245 4.503 2.753 74 HD3 PRO 9 1HD PRO 9 7.442 3.322 2.181 75 H ILE 10 H ILE 10 2.581 1.634 0.254 76 HA ILE 10 HA ILE 10 0.936 3.913 0.987 77 HB ILE 10 HB ILE 10 1.791 4.289 -1.253 78 HG12 ILE 10 2HG1 ILE 10 -0.351 4.489 -2.526 79 HG13 ILE 10 1HG1 ILE 10 -1.131 3.524 -1.284 80 HG21 ILE 10 1HG2 ILE 10 1.293 2.827 -3.147 81 HG22 ILE 10 2HG2 ILE 10 0.571 1.658 -2.043 82 HG23 ILE 10 3HG2 ILE 10 2.293 2.026 -1.932 83 HD11 ILE 10 1HD1 ILE 10 0.168 6.208 -0.857 84 HD12 ILE 10 2HD1 ILE 10 -0.660 5.245 0.371 85 HD13 ILE 10 3HD1 ILE 10 -1.562 5.901 -0.991 86 H ALA 11 H PRG 11 -0.921 3.465 1.841 87 HA ALA 11 HA PRG 11 -2.152 0.906 1.183 88 HB1 ALA 11 1HB PRG 11 -3.005 0.695 3.481 89 HB2 ALA 11 2HB PRG 11 -2.190 2.176 3.938 90 H PHE 12 H PHE 12 -4.055 1.045 0.516 91 HA PHE 12 HA PHE 12 -5.393 3.625 0.484 92 HB2 PHE 12 2HB PHE 12 -5.938 1.114 -1.109 93 HB3 PHE 12 1HB PHE 12 -6.766 2.648 -1.297 94 HD1 PHE 12 1HD PHE 12 -5.642 4.565 -2.295 95 HD2 PHE 12 2HD PHE 12 -3.688 0.796 -1.983 96 HE1 PHE 12 1HE PHE 12 -3.949 5.307 -3.913 97 HE2 PHE 12 2HE PHE 12 -1.997 1.542 -3.606 98 HZ PHE 12 HZ PHE 12 -2.126 3.794 -4.565 99 HA PRO 13 HA PRO 13 -8.263 2.496 3.754 100 HB2 PRO 13 2HB PRO 13 -10.064 4.082 1.970 101 HB3 PRO 13 1HB PRO 13 -9.867 4.176 3.724 102 HG2 PRO 13 2HG PRO 13 -8.690 5.998 2.258 103 HG3 PRO 13 1HG PRO 13 -7.763 5.215 3.550 104 HD2 PRO 13 2HD PRO 13 -7.659 4.736 0.596 105 HD3 PRO 13 1HD PRO 13 -6.337 4.826 1.782 106 H ASP 14 H ASP 14 -8.884 1.758 0.432 107 HA ASP 14 HA ASP 14 -11.276 0.240 0.697 108 HB2 ASP 14 2HB ASP 14 -10.370 0.941 -1.500 109 HB3 ASP 14 1HB ASP 14 -8.991 -0.123 -1.268 110 H1 WMH 101 1HG AZH 3 -1.917 -2.341 4.692 111 H2 WMH 101 2HG AZH 3 -2.720 -1.333 3.490 112 H5 WMH 101 HD PRG 11 0.591 2.094 3.832 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -8.147 -0.310 1.871 2 HA2 GLY 1 2HA GLY 1 -7.542 -2.013 3.429 3 HA3 GLY 1 1HA GLY 1 -8.722 -3.079 2.667 4 H ARG 2 H ARG 2 -6.122 -1.051 1.410 5 HA ARG 2 HA ARG 2 -4.992 -3.420 0.064 6 HB2 ARG 2 2HB ARG 2 -6.552 -1.828 -1.303 7 HB3 ARG 2 1HB ARG 2 -5.199 -0.728 -1.170 8 HG2 ARG 2 2HG ARG 2 -3.766 -2.127 -2.414 9 HG3 ARG 2 1HG ARG 2 -4.943 -3.444 -2.410 10 HD2 ARG 2 2HD ARG 2 -5.232 -0.759 -3.744 11 HD3 ARG 2 1HD ARG 2 -5.048 -2.323 -4.538 12 HE ARG 2 HE ARG 2 -7.296 -2.375 -2.836 13 HH11 ARG 2 1HH1 ARG 2 -6.324 -1.161 -6.017 14 HH12 ARG 2 2HH1 ARG 2 -7.926 -0.919 -6.540 15 HH21 ARG 2 1HH2 ARG 2 -9.481 -1.975 -3.560 16 HH22 ARG 2 2HH2 ARG 2 -9.731 -1.451 -5.156 17 H ALA 3 H AZH 3 -2.755 -3.391 0.149 18 HA ALA 3 HA AZH 3 -1.383 -0.972 0.942 19 HB1 ALA 3 1HB AZH 3 -0.255 -2.596 2.749 20 HB2 ALA 3 2HB AZH 3 -1.882 -3.260 2.740 21 H TYR 4 H TYR 4 0.556 -0.877 0.122 22 HA TYR 4 HA TYR 4 1.620 -3.180 -1.286 23 HB2 TYR 4 2HB TYR 4 2.426 -0.275 -1.173 24 HB3 TYR 4 1HB TYR 4 3.403 -1.492 -1.987 25 HD1 TYR 4 1HD TYR 4 0.418 0.585 -2.146 26 HD2 TYR 4 2HD TYR 4 2.538 -2.591 -4.015 27 HE1 TYR 4 1HE TYR 4 -0.872 0.927 -4.212 28 HE2 TYR 4 2HE TYR 4 1.256 -2.256 -6.062 29 HH TYR 4 HH TYR 4 -0.983 -1.279 -6.681 30 H LYS 5 H LYS 5 3.779 -3.920 -0.938 31 HA LYS 5 HA LYS 5 4.651 -3.594 1.844 32 HB2 LYS 5 2HB LYS 5 5.431 -5.715 -0.173 33 HB3 LYS 5 1HB LYS 5 5.887 -5.682 1.520 34 HG2 LYS 5 2HG LYS 5 3.093 -6.025 0.442 35 HG3 LYS 5 1HG LYS 5 4.119 -7.298 1.097 36 HD2 LYS 5 2HD LYS 5 4.111 -6.140 3.283 37 HD3 LYS 5 1HD LYS 5 3.044 -4.907 2.606 38 HE2 LYS 5 2HE LYS 5 1.382 -6.645 2.110 39 HE3 LYS 5 1HE LYS 5 2.433 -7.850 2.844 40 HZ1 LYS 5 1HZ LYS 5 2.233 -6.603 4.965 41 HZ2 LYS 5 2HZ LYS 5 0.760 -7.176 4.386 42 HZ3 LYS 5 3HZ LYS 5 1.132 -5.558 4.217 43 H SER 6 H SER 6 5.239 -2.327 -1.056 44 HA SER 6 HA SER 6 8.140 -2.182 -0.840 45 HB2 SER 6 2HB SER 6 6.259 -1.115 -2.951 46 HB3 SER 6 1HB SER 6 8.021 -1.137 -3.051 47 HG SER 6 HG SER 6 7.160 -3.584 -2.445 48 H LYS 7 H LYS 7 9.040 0.066 -1.291 49 HA LYS 7 HA LYS 7 7.694 2.016 0.415 50 HB2 LYS 7 2HB LYS 7 10.519 1.947 -0.689 51 HB3 LYS 7 1HB LYS 7 9.887 3.179 0.388 52 HG2 LYS 7 2HG LYS 7 10.191 0.257 1.070 53 HG3 LYS 7 1HG LYS 7 11.300 1.540 1.549 54 HD2 LYS 7 2HD LYS 7 9.458 2.632 2.780 55 HD3 LYS 7 1HD LYS 7 8.391 1.305 2.327 56 HE2 LYS 7 2HE LYS 7 9.213 0.979 4.587 57 HE3 LYS 7 1HE LYS 7 9.851 -0.267 3.518 58 HZ1 LYS 7 1HZ LYS 7 11.523 0.644 5.056 59 HZ2 LYS 7 2HZ LYS 7 11.353 2.157 4.361 60 HZ3 LYS 7 3HZ LYS 7 11.963 0.891 3.452 61 HA PRO 8 HA PRO 8 7.484 4.148 0.704 62 HB2 PRO 8 2HB PRO 8 5.210 5.708 -0.226 63 HB3 PRO 8 1HB PRO 8 6.718 6.288 0.478 64 HG2 PRO 8 2HG PRO 8 6.058 6.695 -2.120 65 HG3 PRO 8 1HG PRO 8 7.733 6.524 -1.565 66 HD2 PRO 8 2HD PRO 8 5.945 4.482 -2.837 67 HD3 PRO 8 1HD PRO 8 7.651 4.836 -3.179 68 HA PRO 9 HA PRO 9 4.054 1.454 1.671 69 HB2 PRO 9 2HB PRO 9 3.407 3.139 3.986 70 HB3 PRO 9 1HB PRO 9 3.983 1.472 3.960 71 HG2 PRO 9 2HG PRO 9 5.521 3.540 4.788 72 HG3 PRO 9 1HG PRO 9 6.196 2.102 4.010 73 HD2 PRO 9 2HD PRO 9 5.702 4.817 2.879 74 HD3 PRO 9 1HD PRO 9 7.022 3.671 2.574 75 H ILE 10 H ILE 10 2.772 2.071 -0.019 76 HA ILE 10 HA ILE 10 0.901 4.267 0.374 77 HB ILE 10 HB ILE 10 1.490 2.560 -2.065 78 HG12 ILE 10 2HG1 ILE 10 2.092 5.474 -1.476 79 HG13 ILE 10 1HG1 ILE 10 3.265 4.166 -1.500 80 HG21 ILE 10 1HG2 ILE 10 -0.407 4.892 -1.796 81 HG22 ILE 10 2HG2 ILE 10 -0.848 3.200 -2.044 82 HG23 ILE 10 3HG2 ILE 10 0.027 4.076 -3.302 83 HD11 ILE 10 1HD1 ILE 10 2.869 3.861 -3.892 84 HD12 ILE 10 2HD1 ILE 10 3.370 5.510 -3.524 85 HD13 ILE 10 3HD1 ILE 10 1.675 5.158 -3.859 86 H ALA 11 H PRG 11 -0.995 3.817 1.252 87 HA ALA 11 HA PRG 11 -2.130 1.179 0.763 88 HB1 ALA 11 1HB PRG 11 -3.051 1.147 3.058 89 HB2 ALA 11 2HB PRG 11 -2.263 2.679 3.391 90 H PHE 12 H PHE 12 -4.325 1.092 0.775 91 HA PHE 12 HA PHE 12 -5.705 3.620 0.217 92 HB2 PHE 12 2HB PHE 12 -6.098 0.895 -1.056 93 HB3 PHE 12 1HB PHE 12 -7.200 2.225 -1.260 94 HD1 PHE 12 1HD PHE 12 -3.619 1.323 -1.810 95 HD2 PHE 12 2HD PHE 12 -6.934 3.706 -2.989 96 HE1 PHE 12 1HE PHE 12 -2.352 2.144 -3.748 97 HE2 PHE 12 2HE PHE 12 -5.667 4.528 -4.918 98 HZ PHE 12 HZ PHE 12 -3.375 3.748 -5.299 99 HA PRO 13 HA PRO 13 -8.200 2.454 3.773 100 HB2 PRO 13 2HB PRO 13 -10.322 4.047 2.470 101 HB3 PRO 13 1HB PRO 13 -9.602 4.245 4.070 102 HG2 PRO 13 2HG PRO 13 -9.026 5.948 2.114 103 HG3 PRO 13 1HG PRO 13 -7.771 5.407 3.240 104 HD2 PRO 13 2HD PRO 13 -8.306 4.522 0.433 105 HD3 PRO 13 1HD PRO 13 -6.764 4.872 1.245 106 H ASP 14 H ASP 14 -8.892 1.618 0.635 107 HA ASP 14 HA ASP 14 -11.364 0.191 0.931 108 HB2 ASP 14 2HB ASP 14 -10.500 0.945 -1.260 109 HB3 ASP 14 1HB ASP 14 -9.108 -0.105 -1.076 110 H1 WMH 101 1HG AZH 3 -1.949 -1.718 4.458 111 H2 WMH 101 2HG AZH 3 -2.668 -0.859 3.101 112 H5 WMH 101 HD PRG 11 0.492 2.660 3.462 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -7.774 -0.328 1.633 2 HA2 GLY 1 2HA GLY 1 -6.708 -1.741 3.431 3 HA3 GLY 1 1HA GLY 1 -7.787 -3.004 2.866 4 H ARG 2 H ARG 2 -6.796 -1.205 0.224 5 HA ARG 2 HA ARG 2 -5.065 -3.299 -0.701 6 HB2 ARG 2 2HB ARG 2 -5.393 -0.519 -1.859 7 HB3 ARG 2 1HB ARG 2 -4.637 -1.876 -2.656 8 HG2 ARG 2 2HG ARG 2 -6.729 -3.018 -2.841 9 HG3 ARG 2 1HG ARG 2 -7.535 -1.793 -1.859 10 HD2 ARG 2 2HD ARG 2 -8.050 -1.361 -4.171 11 HD3 ARG 2 1HD ARG 2 -6.953 -0.110 -3.591 12 HE ARG 2 HE ARG 2 -5.871 -2.408 -5.003 13 HH11 ARG 2 1HH1 ARG 2 -6.617 1.082 -5.037 14 HH12 ARG 2 2HH1 ARG 2 -5.738 1.422 -6.447 15 HH21 ARG 2 1HH2 ARG 2 -4.704 -1.959 -6.995 16 HH22 ARG 2 2HH2 ARG 2 -4.595 -0.382 -7.609 17 H ALA 3 H AZH 3 -3.342 -3.486 0.619 18 HA ALA 3 HA AZH 3 -1.624 -1.149 1.038 19 HB1 ALA 3 1HB AZH 3 -0.558 -2.952 2.681 20 HB2 ALA 3 2HB AZH 3 -2.192 -3.590 2.627 21 H TYR 4 H TYR 4 0.318 -1.093 0.277 22 HA TYR 4 HA TYR 4 1.356 -3.483 -1.046 23 HB2 TYR 4 2HB TYR 4 1.637 -0.587 -1.854 24 HB3 TYR 4 1HB TYR 4 2.510 -1.919 -2.600 25 HD1 TYR 4 1HD TYR 4 1.387 -3.480 -4.045 26 HD2 TYR 4 2HD TYR 4 -0.754 -0.281 -2.243 27 HE1 TYR 4 1HE TYR 4 -0.468 -3.864 -5.579 28 HE2 TYR 4 2HE TYR 4 -2.623 -0.659 -3.776 29 HH TYR 4 HH TYR 4 -2.846 -1.663 -6.107 30 H LYS 5 H LYS 5 3.001 -4.231 0.012 31 HA LYS 5 HA LYS 5 4.525 -2.521 1.739 32 HB2 LYS 5 2HB LYS 5 4.791 -5.468 1.137 33 HB3 LYS 5 1HB LYS 5 5.747 -4.599 2.325 34 HG2 LYS 5 2HG LYS 5 3.742 -4.075 3.586 35 HG3 LYS 5 1HG LYS 5 2.762 -4.930 2.395 36 HD2 LYS 5 2HD LYS 5 4.012 -6.988 2.892 37 HD3 LYS 5 1HD LYS 5 4.925 -6.115 4.125 38 HE2 LYS 5 2HE LYS 5 2.855 -5.670 5.333 39 HE3 LYS 5 1HE LYS 5 1.948 -6.506 4.072 40 HZ1 LYS 5 1HZ LYS 5 2.308 -7.909 5.965 41 HZ2 LYS 5 2HZ LYS 5 3.980 -7.749 5.844 42 HZ3 LYS 5 3HZ LYS 5 3.114 -8.542 4.632 43 H SER 6 H SER 6 5.326 -1.185 0.312 44 HA SER 6 HA SER 6 7.737 -1.967 -1.067 45 HB2 SER 6 2HB SER 6 5.505 -0.350 -2.361 46 HB3 SER 6 1HB SER 6 7.056 -0.752 -3.097 47 HG SER 6 HG SER 6 6.114 -2.992 -2.335 48 H LYS 7 H LYS 7 8.809 0.245 -1.667 49 HA LYS 7 HA LYS 7 8.160 2.121 0.487 50 HB2 LYS 7 2HB LYS 7 10.748 1.624 -0.970 51 HB3 LYS 7 1HB LYS 7 10.505 2.957 0.156 52 HG2 LYS 7 2HG LYS 7 10.005 1.392 1.930 53 HG3 LYS 7 1HG LYS 7 10.206 0.043 0.814 54 HD2 LYS 7 2HD LYS 7 12.540 0.593 0.528 55 HD3 LYS 7 1HD LYS 7 12.348 2.035 1.529 56 HE2 LYS 7 2HE LYS 7 13.333 0.251 2.843 57 HE3 LYS 7 1HE LYS 7 11.704 0.657 3.396 58 HZ1 LYS 7 1HZ LYS 7 12.364 -1.660 1.666 59 HZ2 LYS 7 2HZ LYS 7 10.847 -1.284 2.263 60 HZ3 LYS 7 3HZ LYS 7 12.078 -1.745 3.318 61 HA PRO 8 HA PRO 8 7.528 3.979 1.050 62 HB2 PRO 8 2HB PRO 8 5.490 5.688 0.828 63 HB3 PRO 8 1HB PRO 8 7.159 6.238 0.617 64 HG2 PRO 8 2HG PRO 8 5.157 5.479 -1.486 65 HG3 PRO 8 1HG PRO 8 6.139 6.951 -1.391 66 HD2 PRO 8 2HD PRO 8 6.869 4.890 -2.921 67 HD3 PRO 8 1HD PRO 8 8.067 5.859 -2.046 68 HA PRO 9 HA PRO 9 4.144 1.071 1.105 69 HB2 PRO 9 2HB PRO 9 3.282 1.396 3.680 70 HB3 PRO 9 1HB PRO 9 4.732 0.487 3.247 71 HG2 PRO 9 2HG PRO 9 4.481 3.260 4.306 72 HG3 PRO 9 1HG PRO 9 5.712 2.035 4.649 73 HD2 PRO 9 2HD PRO 9 6.099 4.141 2.943 74 HD3 PRO 9 1HD PRO 9 6.949 2.590 2.809 75 H ILE 10 H ILE 10 2.528 1.664 -0.126 76 HA ILE 10 HA ILE 10 0.780 3.829 0.730 77 HB ILE 10 HB ILE 10 1.552 4.162 -1.537 78 HG12 ILE 10 2HG1 ILE 10 -0.586 4.190 -2.816 79 HG13 ILE 10 1HG1 ILE 10 -1.313 3.183 -1.576 80 HG21 ILE 10 1HG2 ILE 10 2.174 1.881 -2.084 81 HG22 ILE 10 2HG2 ILE 10 1.165 2.584 -3.349 82 HG23 ILE 10 3HG2 ILE 10 0.472 1.437 -2.204 83 HD11 ILE 10 1HD1 ILE 10 -0.266 5.979 -1.198 84 HD12 ILE 10 2HD1 ILE 10 -0.991 4.970 0.057 85 HD13 ILE 10 3HD1 ILE 10 -1.959 5.497 -1.315 86 H ALA 11 H PRG 11 -1.176 3.448 1.470 87 HA ALA 11 HA PRG 11 -2.374 0.857 0.913 88 HB1 ALA 11 1HB PRG 11 -3.294 0.745 3.182 89 HB2 ALA 11 2HB PRG 11 -2.535 2.267 3.587 90 H PHE 12 H PHE 12 -4.129 1.143 -0.097 91 HA PHE 12 HA PHE 12 -5.459 3.703 -0.094 92 HB2 PHE 12 2HB PHE 12 -6.163 1.167 -1.612 93 HB3 PHE 12 1HB PHE 12 -6.908 2.735 -1.819 94 HD1 PHE 12 1HD PHE 12 -3.895 0.759 -2.507 95 HD2 PHE 12 2HD PHE 12 -5.793 4.538 -2.942 96 HE1 PHE 12 1HE PHE 12 -2.234 1.400 -4.210 97 HE2 PHE 12 2HE PHE 12 -4.138 5.178 -4.639 98 HZ PHE 12 HZ PHE 12 -2.359 3.609 -5.274 99 HA PRO 13 HA PRO 13 -8.136 3.495 3.310 100 HB2 PRO 13 2HB PRO 13 -10.120 3.700 1.092 101 HB3 PRO 13 1HB PRO 13 -10.164 4.445 2.696 102 HG2 PRO 13 2HG PRO 13 -9.220 5.815 0.633 103 HG3 PRO 13 1HG PRO 13 -8.438 5.919 2.215 104 HD2 PRO 13 2HD PRO 13 -7.450 4.672 -0.256 105 HD3 PRO 13 1HD PRO 13 -6.554 5.155 1.201 106 H ASP 14 H ASP 14 -9.378 1.452 0.645 107 HA ASP 14 HA ASP 14 -11.135 -0.043 2.324 108 HB2 ASP 14 2HB ASP 14 -11.583 -1.428 0.451 109 HB3 ASP 14 1HB ASP 14 -11.330 0.191 -0.191 110 H1 WMH 101 1HG AZH 3 -2.185 -2.221 4.487 111 H2 WMH 101 2HG AZH 3 -2.949 -1.240 3.242 112 H5 WMH 101 HD PRG 11 0.219 2.273 3.750 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -7.906 -0.342 1.561 2 HA2 GLY 1 2HA GLY 1 -7.459 -2.230 3.002 3 HA3 GLY 1 1HA GLY 1 -8.664 -3.138 2.082 4 H ARG 2 H ARG 2 -5.967 -1.064 1.205 5 HA ARG 2 HA ARG 2 -4.880 -3.272 -0.384 6 HB2 ARG 2 2HB ARG 2 -6.403 -1.644 -1.690 7 HB3 ARG 2 1HB ARG 2 -5.116 -0.488 -1.423 8 HG2 ARG 2 2HG ARG 2 -3.560 -1.872 -2.657 9 HG3 ARG 2 1HG ARG 2 -4.832 -3.071 -2.925 10 HD2 ARG 2 2HD ARG 2 -4.756 -0.230 -3.915 11 HD3 ARG 2 1HD ARG 2 -4.730 -1.710 -4.880 12 HE ARG 2 HE ARG 2 -7.025 -1.898 -3.466 13 HH11 ARG 2 1HH1 ARG 2 -5.753 0.499 -5.752 14 HH12 ARG 2 2HH1 ARG 2 -7.279 1.127 -6.165 15 HH21 ARG 2 1HH2 ARG 2 -9.093 -1.003 -3.944 16 HH22 ARG 2 2HH2 ARG 2 -9.252 0.256 -5.090 17 H ALA 3 H AZH 3 -3.215 -3.392 1.081 18 HA ALA 3 HA AZH 3 -1.427 -1.087 1.215 19 HB1 ALA 3 1HB AZH 3 -0.378 -2.714 3.031 20 HB2 ALA 3 2HB AZH 3 -2.043 -3.258 3.133 21 H TYR 4 H TYR 4 0.489 -1.175 0.413 22 HA TYR 4 HA TYR 4 1.372 -3.673 -0.808 23 HB2 TYR 4 2HB TYR 4 2.165 -0.801 -1.374 24 HB3 TYR 4 1HB TYR 4 2.857 -2.205 -2.171 25 HD1 TYR 4 1HD TYR 4 1.657 -3.342 -3.925 26 HD2 TYR 4 2HD TYR 4 -0.160 -0.121 -1.839 27 HE1 TYR 4 1HE TYR 4 -0.087 -3.227 -5.641 28 HE2 TYR 4 2HE TYR 4 -1.912 0.010 -3.544 29 HH TYR 4 HH TYR 4 -2.375 -2.420 -5.861 30 H LYS 5 H LYS 5 3.564 -4.266 -0.508 31 HA LYS 5 HA LYS 5 4.610 -3.404 2.077 32 HB2 LYS 5 2HB LYS 5 6.022 -5.384 1.977 33 HB3 LYS 5 1HB LYS 5 4.349 -5.801 1.648 34 HG2 LYS 5 2HG LYS 5 4.883 -5.882 -0.766 35 HG3 LYS 5 1HG LYS 5 6.567 -5.532 -0.378 36 HD2 LYS 5 2HD LYS 5 6.304 -7.910 -0.696 37 HD3 LYS 5 1HD LYS 5 6.631 -7.590 1.006 38 HE2 LYS 5 2HE LYS 5 4.230 -7.774 1.498 39 HE3 LYS 5 1HE LYS 5 3.908 -8.088 -0.205 40 HZ1 LYS 5 1HZ LYS 5 5.506 -9.812 1.617 41 HZ2 LYS 5 2HZ LYS 5 5.157 -10.138 -0.025 42 HZ3 LYS 5 3HZ LYS 5 3.931 -10.069 1.102 43 H SER 6 H SER 6 4.909 -2.491 -0.986 44 HA SER 6 HA SER 6 7.742 -2.104 -1.164 45 HB2 SER 6 2HB SER 6 5.466 -1.050 -2.843 46 HB3 SER 6 1HB SER 6 7.173 -1.050 -3.296 47 HG SER 6 HG SER 6 7.037 -3.384 -2.927 48 H LYS 7 H LYS 7 8.532 0.142 -1.642 49 HA LYS 7 HA LYS 7 7.286 2.039 0.200 50 HB2 LYS 7 2HB LYS 7 9.547 2.973 0.533 51 HB3 LYS 7 1HB LYS 7 9.397 1.311 1.081 52 HG2 LYS 7 2HG LYS 7 10.474 0.584 -1.049 53 HG3 LYS 7 1HG LYS 7 10.759 2.284 -1.427 54 HD2 LYS 7 2HD LYS 7 11.783 0.821 1.009 55 HD3 LYS 7 1HD LYS 7 12.727 1.218 -0.424 56 HE2 LYS 7 2HE LYS 7 12.443 3.590 0.005 57 HE3 LYS 7 1HE LYS 7 11.387 3.236 1.372 58 HZ1 LYS 7 1HZ LYS 7 13.622 3.783 2.060 59 HZ2 LYS 7 2HZ LYS 7 14.250 2.462 1.202 60 HZ3 LYS 7 3HZ LYS 7 13.205 2.220 2.510 61 HA PRO 8 HA PRO 8 7.563 4.378 0.672 62 HB2 PRO 8 2HB PRO 8 5.527 6.125 0.247 63 HB3 PRO 8 1HB PRO 8 7.213 6.548 -0.074 64 HG2 PRO 8 2HG PRO 8 5.104 5.612 -1.983 65 HG3 PRO 8 1HG PRO 8 6.242 6.962 -2.158 66 HD2 PRO 8 2HD PRO 8 6.685 4.594 -3.336 67 HD3 PRO 8 1HD PRO 8 8.011 5.566 -2.674 68 HA PRO 9 HA PRO 9 4.152 1.837 1.903 69 HB2 PRO 9 2HB PRO 9 3.136 3.833 3.802 70 HB3 PRO 9 1HB PRO 9 3.816 2.241 4.125 71 HG2 PRO 9 2HG PRO 9 5.119 4.544 4.699 72 HG3 PRO 9 1HG PRO 9 5.955 3.042 4.292 73 HD2 PRO 9 2HD PRO 9 5.487 5.466 2.622 74 HD3 PRO 9 1HD PRO 9 6.866 4.351 2.644 75 H ILE 10 H ILE 10 2.920 1.861 0.113 76 HA ILE 10 HA ILE 10 0.900 3.914 -0.251 77 HB ILE 10 HB ILE 10 1.570 1.490 -1.961 78 HG12 ILE 10 2HG1 ILE 10 2.242 4.412 -2.406 79 HG13 ILE 10 1HG1 ILE 10 3.381 3.194 -1.845 80 HG21 ILE 10 1HG2 ILE 10 -0.202 3.861 -2.546 81 HG22 ILE 10 2HG2 ILE 10 -0.747 2.214 -2.251 82 HG23 ILE 10 3HG2 ILE 10 0.204 2.583 -3.690 83 HD11 ILE 10 1HD1 ILE 10 3.125 1.993 -3.961 84 HD12 ILE 10 2HD1 ILE 10 3.665 3.654 -4.212 85 HD13 ILE 10 3HD1 ILE 10 1.981 3.216 -4.511 86 H ALA 11 H PRG 11 -0.825 3.634 1.049 87 HA ALA 11 HA PRG 11 -2.111 1.023 0.992 88 HB1 ALA 11 1HB PRG 11 -2.839 1.259 3.338 89 HB2 ALA 11 2HB PRG 11 -1.913 2.740 3.479 90 H PHE 12 H PHE 12 -4.108 1.087 0.563 91 HA PHE 12 HA PHE 12 -5.501 3.662 0.506 92 HB2 PHE 12 2HB PHE 12 -6.044 1.109 -1.038 93 HB3 PHE 12 1HB PHE 12 -7.088 2.504 -1.056 94 HD1 PHE 12 1HD PHE 12 -6.636 4.377 -2.378 95 HD2 PHE 12 2HD PHE 12 -3.748 1.277 -2.048 96 HE1 PHE 12 1HE PHE 12 -5.385 5.353 -4.250 97 HE2 PHE 12 2HE PHE 12 -2.489 2.256 -3.926 98 HZ PHE 12 HZ PHE 12 -3.312 4.298 -5.022 99 HA PRO 13 HA PRO 13 -7.899 2.113 3.963 100 HB2 PRO 13 2HB PRO 13 -10.115 3.746 3.522 101 HB3 PRO 13 1HB PRO 13 -8.699 4.178 4.483 102 HG2 PRO 13 2HG PRO 13 -9.373 4.876 1.675 103 HG3 PRO 13 1HG PRO 13 -8.553 5.853 2.906 104 HD2 PRO 13 2HD PRO 13 -7.233 4.679 0.881 105 HD3 PRO 13 1HD PRO 13 -6.505 4.856 2.491 106 H ASP 14 H ASP 14 -8.756 1.907 0.719 107 HA ASP 14 HA ASP 14 -11.160 0.438 0.769 108 HB2 ASP 14 2HB ASP 14 -10.342 1.235 -1.337 109 HB3 ASP 14 1HB ASP 14 -8.787 0.453 -1.106 110 H1 WMH 101 1HG AZH 3 -1.897 -1.632 4.781 111 H2 WMH 101 2HG AZH 3 -2.631 -0.780 3.425 112 H5 WMH 101 HD PRG 11 0.803 2.520 3.400 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -8.038 -0.412 1.690 2 HA2 GLY 1 2HA GLY 1 -7.421 -2.450 2.853 3 HA3 GLY 1 1HA GLY 1 -8.520 -3.318 1.798 4 H ARG 2 H ARG 2 -6.107 -0.948 0.796 5 HA ARG 2 HA ARG 2 -4.608 -3.184 -0.400 6 HB2 ARG 2 2HB ARG 2 -5.128 -0.498 -1.712 7 HB3 ARG 2 1HB ARG 2 -4.027 -1.712 -2.322 8 HG2 ARG 2 2HG ARG 2 -6.974 -2.147 -1.957 9 HG3 ARG 2 1HG ARG 2 -6.234 -1.615 -3.467 10 HD2 ARG 2 2HD ARG 2 -5.602 -4.195 -2.022 11 HD3 ARG 2 1HD ARG 2 -6.672 -4.049 -3.411 12 HE ARG 2 HE ARG 2 -4.188 -2.948 -4.077 13 HH11 ARG 2 1HH1 ARG 2 -5.671 -6.104 -3.516 14 HH12 ARG 2 2HH1 ARG 2 -4.492 -6.958 -4.398 15 HH21 ARG 2 1HH2 ARG 2 -2.637 -4.107 -5.339 16 HH22 ARG 2 2HH2 ARG 2 -2.727 -5.815 -5.466 17 H ALA 3 H AZH 3 -2.992 -3.264 1.037 18 HA ALA 3 HA AZH 3 -1.344 -0.859 1.377 19 HB1 ALA 3 1HB AZH 3 -0.226 -2.563 3.115 20 HB2 ALA 3 2HB AZH 3 -1.849 -3.225 3.113 21 H TYR 4 H TYR 4 0.619 -0.825 0.586 22 HA TYR 4 HA TYR 4 1.596 -3.279 -0.660 23 HB2 TYR 4 2HB TYR 4 2.006 -0.393 -1.456 24 HB3 TYR 4 1HB TYR 4 2.886 -1.741 -2.167 25 HD1 TYR 4 1HD TYR 4 -0.398 -0.102 -1.902 26 HD2 TYR 4 2HD TYR 4 1.817 -3.254 -3.694 27 HE1 TYR 4 1HE TYR 4 -2.212 -0.455 -3.511 28 HE2 TYR 4 2HE TYR 4 0.022 -3.613 -5.302 29 HH TYR 4 HH TYR 4 -2.420 -1.410 -5.807 30 H LYS 5 H LYS 5 3.323 -4.090 0.132 31 HA LYS 5 HA LYS 5 4.679 -2.876 2.310 32 HB2 LYS 5 2HB LYS 5 6.037 -4.854 2.470 33 HB3 LYS 5 1HB LYS 5 4.400 -5.357 2.108 34 HG2 LYS 5 2HG LYS 5 6.617 -5.175 0.065 35 HG3 LYS 5 1HG LYS 5 6.189 -6.648 0.925 36 HD2 LYS 5 2HD LYS 5 3.950 -6.571 -0.104 37 HD3 LYS 5 1HD LYS 5 4.399 -5.075 -0.931 38 HE2 LYS 5 2HE LYS 5 5.776 -7.731 -1.298 39 HE3 LYS 5 1HE LYS 5 4.564 -7.056 -2.384 40 HZ1 LYS 5 1HZ LYS 5 6.057 -5.173 -2.796 41 HZ2 LYS 5 2HZ LYS 5 6.758 -6.627 -3.219 42 HZ3 LYS 5 3HZ LYS 5 7.235 -5.862 -1.805 43 H SER 6 H SER 6 5.173 -2.768 -1.075 44 HA SER 6 HA SER 6 7.936 -2.170 -0.972 45 HB2 SER 6 2HB SER 6 5.879 -1.731 -3.140 46 HB3 SER 6 1HB SER 6 7.622 -1.531 -3.343 47 HG SER 6 HG SER 6 7.925 -3.643 -2.939 48 H LYS 7 H LYS 7 8.916 -0.250 -0.910 49 HA LYS 7 HA LYS 7 7.405 1.884 0.265 50 HB2 LYS 7 2HB LYS 7 10.344 1.625 -0.296 51 HB3 LYS 7 1HB LYS 7 9.600 2.930 0.627 52 HG2 LYS 7 2HG LYS 7 8.837 1.338 2.287 53 HG3 LYS 7 1HG LYS 7 9.519 0.017 1.346 54 HD2 LYS 7 2HD LYS 7 11.066 2.272 2.632 55 HD3 LYS 7 1HD LYS 7 10.960 0.621 3.234 56 HE2 LYS 7 2HE LYS 7 12.973 0.494 2.110 57 HE3 LYS 7 1HE LYS 7 11.830 0.060 0.835 58 HZ1 LYS 7 1HZ LYS 7 11.961 2.353 -0.021 59 HZ2 LYS 7 2HZ LYS 7 13.495 1.680 0.075 60 HZ3 LYS 7 3HZ LYS 7 12.987 2.758 1.237 61 HA PRO 8 HA PRO 8 7.440 4.121 0.576 62 HB2 PRO 8 2HB PRO 8 5.369 5.723 -0.759 63 HB3 PRO 8 1HB PRO 8 6.699 6.267 0.267 64 HG2 PRO 8 2HG PRO 8 6.684 6.747 -2.375 65 HG3 PRO 8 1HG PRO 8 8.181 6.392 -1.492 66 HD2 PRO 8 2HD PRO 8 6.512 4.564 -3.183 67 HD3 PRO 8 1HD PRO 8 8.276 4.788 -3.161 68 HA PRO 9 HA PRO 9 4.047 1.192 0.770 69 HB2 PRO 9 2HB PRO 9 3.691 2.155 3.536 70 HB3 PRO 9 1HB PRO 9 4.073 0.528 2.962 71 HG2 PRO 9 2HG PRO 9 5.913 2.016 4.201 72 HG3 PRO 9 1HG PRO 9 6.346 0.961 2.843 73 HD2 PRO 9 2HD PRO 9 5.898 3.923 2.867 74 HD3 PRO 9 1HD PRO 9 7.181 2.969 2.086 75 H ILE 10 H ILE 10 2.344 1.864 -0.302 76 HA ILE 10 HA ILE 10 0.813 4.102 0.757 77 HB ILE 10 HB ILE 10 1.461 4.454 -1.555 78 HG12 ILE 10 2HG1 ILE 10 -0.759 4.682 -2.677 79 HG13 ILE 10 1HG1 ILE 10 -1.474 3.737 -1.380 80 HG21 ILE 10 1HG2 ILE 10 1.877 2.184 -2.244 81 HG22 ILE 10 2HG2 ILE 10 0.803 2.994 -3.385 82 HG23 ILE 10 3HG2 ILE 10 0.146 1.843 -2.225 83 HD11 ILE 10 1HD1 ILE 10 -0.842 5.468 0.221 84 HD12 ILE 10 2HD1 ILE 10 -1.854 6.116 -1.073 85 HD13 ILE 10 3HD1 ILE 10 -0.113 6.398 -1.085 86 H ALA 11 H PRG 11 -1.081 3.739 1.668 87 HA ALA 11 HA PRG 11 -2.285 1.114 1.285 88 HB1 ALA 11 1HB PRG 11 -3.061 1.127 3.602 89 HB2 ALA 11 2HB PRG 11 -2.308 2.686 3.867 90 H PHE 12 H PHE 12 -4.111 1.205 0.483 91 HA PHE 12 HA PHE 12 -5.623 3.681 0.409 92 HB2 PHE 12 2HB PHE 12 -6.061 1.054 -1.031 93 HB3 PHE 12 1HB PHE 12 -7.002 2.511 -1.274 94 HD1 PHE 12 1HD PHE 12 -3.673 0.976 -1.814 95 HD2 PHE 12 2HD PHE 12 -6.203 4.306 -2.598 96 HE1 PHE 12 1HE PHE 12 -2.120 1.743 -3.564 97 HE2 PHE 12 2HE PHE 12 -4.653 5.074 -4.338 98 HZ PHE 12 HZ PHE 12 -2.612 3.794 -4.826 99 HA PRO 13 HA PRO 13 -8.155 2.448 3.890 100 HB2 PRO 13 2HB PRO 13 -10.253 3.945 2.401 101 HB3 PRO 13 1HB PRO 13 -9.730 4.110 4.081 102 HG2 PRO 13 2HG PRO 13 -8.981 5.900 2.289 103 HG3 PRO 13 1HG PRO 13 -7.830 5.316 3.505 104 HD2 PRO 13 2HD PRO 13 -8.041 4.610 0.607 105 HD3 PRO 13 1HD PRO 13 -6.605 4.869 1.625 106 H ASP 14 H ASP 14 -8.972 1.632 0.661 107 HA ASP 14 HA ASP 14 -11.242 0.037 1.479 108 HB2 ASP 14 2HB ASP 14 -11.500 -0.584 -0.891 109 HB3 ASP 14 1HB ASP 14 -11.452 1.155 -0.665 110 H1 WMH 101 1HG AZH 3 -1.824 -1.751 4.905 111 H2 WMH 101 2HG AZH 3 -2.648 -0.868 3.623 112 H5 WMH 101 HD PRG 11 0.426 2.760 3.856 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -8.031 -0.375 1.641 2 HA2 GLY 1 2HA GLY 1 -7.416 -2.058 3.358 3 HA3 GLY 1 1HA GLY 1 -8.592 -3.110 2.579 4 H ARG 2 H ARG 2 -6.199 -0.964 1.136 5 HA ARG 2 HA ARG 2 -5.045 -3.341 -0.145 6 HB2 ARG 2 2HB ARG 2 -5.469 -0.644 -1.430 7 HB3 ARG 2 1HB ARG 2 -4.646 -2.001 -2.162 8 HG2 ARG 2 2HG ARG 2 -7.552 -1.969 -1.373 9 HG3 ARG 2 1HG ARG 2 -6.924 -1.703 -3.001 10 HD2 ARG 2 2HD ARG 2 -6.616 -4.217 -1.357 11 HD3 ARG 2 1HD ARG 2 -7.704 -3.994 -2.724 12 HE ARG 2 HE ARG 2 -4.977 -3.452 -3.390 13 HH11 ARG 2 1HH1 ARG 2 -7.396 -6.034 -3.120 14 HH12 ARG 2 2HH1 ARG 2 -6.541 -7.106 -4.125 15 HH21 ARG 2 1HH2 ARG 2 -3.805 -4.917 -4.699 16 HH22 ARG 2 2HH2 ARG 2 -4.416 -6.486 -4.988 17 H ALA 3 H AZH 3 -3.273 -3.462 1.138 18 HA ALA 3 HA AZH 3 -1.538 -1.105 1.224 19 HB1 ALA 3 1HB AZH 3 -0.344 -2.769 2.949 20 HB2 ALA 3 2HB AZH 3 -1.983 -3.385 3.078 21 H TYR 4 H TYR 4 0.355 -1.134 0.290 22 HA TYR 4 HA TYR 4 1.205 -3.626 -0.979 23 HB2 TYR 4 2HB TYR 4 1.542 -0.791 -2.005 24 HB3 TYR 4 1HB TYR 4 2.129 -2.246 -2.806 25 HD1 TYR 4 1HD TYR 4 -0.683 -0.055 -2.325 26 HD2 TYR 4 2HD TYR 4 0.426 -3.964 -3.580 27 HE1 TYR 4 1HE TYR 4 -2.865 -0.326 -3.410 28 HE2 TYR 4 2HE TYR 4 -1.743 -4.238 -4.667 29 HH TYR 4 HH TYR 4 -3.859 -1.707 -5.261 30 H LYS 5 H LYS 5 3.128 -4.305 -0.505 31 HA LYS 5 HA LYS 5 4.616 -2.801 1.456 32 HB2 LYS 5 2HB LYS 5 4.827 -5.641 0.534 33 HB3 LYS 5 1HB LYS 5 5.853 -4.927 1.773 34 HG2 LYS 5 2HG LYS 5 3.934 -4.526 3.186 35 HG3 LYS 5 1HG LYS 5 2.850 -5.110 1.924 36 HD2 LYS 5 2HD LYS 5 4.985 -6.751 3.272 37 HD3 LYS 5 1HD LYS 5 3.280 -6.773 3.713 38 HE2 LYS 5 2HE LYS 5 2.743 -7.502 1.392 39 HE3 LYS 5 1HE LYS 5 4.470 -7.574 1.055 40 HZ1 LYS 5 1HZ LYS 5 4.715 -9.280 2.714 41 HZ2 LYS 5 2HZ LYS 5 3.502 -9.730 1.627 42 HZ3 LYS 5 3HZ LYS 5 3.092 -9.130 3.145 43 H SER 6 H SER 6 5.398 -1.275 0.120 44 HA SER 6 HA SER 6 7.996 -1.897 -0.932 45 HB2 SER 6 2HB SER 6 5.886 -0.402 -2.542 46 HB3 SER 6 1HB SER 6 7.577 -0.606 -3.007 47 HG SER 6 HG SER 6 6.620 -2.982 -2.443 48 H LYS 7 H LYS 7 9.088 0.395 -1.277 49 HA LYS 7 HA LYS 7 7.914 2.211 0.700 50 HB2 LYS 7 2HB LYS 7 10.829 1.856 -0.071 51 HB3 LYS 7 1HB LYS 7 10.226 3.074 1.045 52 HG2 LYS 7 2HG LYS 7 9.450 1.326 2.556 53 HG3 LYS 7 1HG LYS 7 10.023 0.089 1.437 54 HD2 LYS 7 2HD LYS 7 11.618 0.368 3.245 55 HD3 LYS 7 1HD LYS 7 12.326 0.940 1.739 56 HE2 LYS 7 2HE LYS 7 12.833 2.446 3.603 57 HE3 LYS 7 1HE LYS 7 11.857 3.254 2.384 58 HZ1 LYS 7 1HZ LYS 7 11.115 3.728 4.649 59 HZ2 LYS 7 2HZ LYS 7 10.804 2.107 4.926 60 HZ3 LYS 7 3HZ LYS 7 9.911 2.950 3.790 61 HA PRO 8 HA PRO 8 7.475 4.225 1.159 62 HB2 PRO 8 2HB PRO 8 5.367 5.817 -0.072 63 HB3 PRO 8 1HB PRO 8 6.642 6.343 1.024 64 HG2 PRO 8 2HG PRO 8 6.558 7.067 -1.591 65 HG3 PRO 8 1HG PRO 8 8.072 6.889 -0.690 66 HD2 PRO 8 2HD PRO 8 6.769 4.984 -2.602 67 HD3 PRO 8 1HD PRO 8 8.482 5.427 -2.449 68 HA PRO 9 HA PRO 9 4.233 1.205 0.973 69 HB2 PRO 9 2HB PRO 9 3.072 1.669 3.411 70 HB3 PRO 9 1HB PRO 9 4.569 0.759 3.201 71 HG2 PRO 9 2HG PRO 9 4.173 3.598 4.027 72 HG3 PRO 9 1HG PRO 9 5.346 2.410 4.622 73 HD2 PRO 9 2HD PRO 9 5.990 4.366 2.852 74 HD3 PRO 9 1HD PRO 9 6.796 2.785 2.883 75 H ILE 10 H ILE 10 2.619 1.540 -0.351 76 HA ILE 10 HA ILE 10 0.880 3.862 -0.003 77 HB ILE 10 HB ILE 10 1.091 1.913 -2.321 78 HG12 ILE 10 2HG1 ILE 10 3.110 3.281 -2.142 79 HG13 ILE 10 1HG1 ILE 10 2.171 3.750 -3.553 80 HG21 ILE 10 1HG2 ILE 10 -0.445 4.496 -2.117 81 HG22 ILE 10 2HG2 ILE 10 -1.134 2.875 -2.156 82 HG23 ILE 10 3HG2 ILE 10 -0.286 3.508 -3.567 83 HD11 ILE 10 1HD1 ILE 10 3.085 5.693 -2.428 84 HD12 ILE 10 2HD1 ILE 10 2.302 5.221 -0.924 85 HD13 ILE 10 3HD1 ILE 10 1.324 5.697 -2.313 86 H ALA 11 H PRG 11 -0.940 3.513 1.114 87 HA ALA 11 HA PRG 11 -2.245 0.914 0.809 88 HB1 ALA 11 1HB PRG 11 -3.007 0.955 3.110 89 HB2 ALA 11 2HB PRG 11 -2.243 2.504 3.382 90 H PHE 12 H PHE 12 -4.202 1.055 0.194 91 HA PHE 12 HA PHE 12 -5.520 3.653 0.201 92 HB2 PHE 12 2HB PHE 12 -6.216 1.136 -1.348 93 HB3 PHE 12 1HB PHE 12 -7.115 2.636 -1.405 94 HD1 PHE 12 1HD PHE 12 -4.065 0.954 -2.436 95 HD2 PHE 12 2HD PHE 12 -6.276 4.575 -2.546 96 HE1 PHE 12 1HE PHE 12 -2.630 1.773 -4.276 97 HE2 PHE 12 2HE PHE 12 -4.859 5.399 -4.373 98 HZ PHE 12 HZ PHE 12 -3.032 3.998 -5.238 99 HA PRO 13 HA PRO 13 -7.908 2.680 3.806 100 HB2 PRO 13 2HB PRO 13 -10.024 4.157 2.321 101 HB3 PRO 13 1HB PRO 13 -9.463 4.367 3.984 102 HG2 PRO 13 2HG PRO 13 -8.684 6.065 2.117 103 HG3 PRO 13 1HG PRO 13 -7.523 5.478 3.321 104 HD2 PRO 13 2HD PRO 13 -7.825 4.718 0.453 105 HD3 PRO 13 1HD PRO 13 -6.363 4.906 1.448 106 H ASP 14 H ASP 14 -9.078 1.718 0.691 107 HA ASP 14 HA ASP 14 -11.397 0.278 1.505 108 HB2 ASP 14 2HB ASP 14 -11.057 0.781 -0.843 109 HB3 ASP 14 1HB ASP 14 -9.550 -0.121 -0.856 110 H1 WMH 101 1HG AZH 3 -1.812 -1.840 4.797 111 H2 WMH 101 2HG AZH 3 -2.687 -0.990 3.525 112 H5 WMH 101 HD PRG 11 0.525 2.499 3.248 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -8.099 -0.541 1.827 2 HA2 GLY 1 2HA GLY 1 -7.344 -2.125 3.552 3 HA3 GLY 1 1HA GLY 1 -8.555 -3.241 2.926 4 H ARG 2 H ARG 2 -5.896 -1.276 1.711 5 HA ARG 2 HA ARG 2 -4.813 -3.561 0.292 6 HB2 ARG 2 2HB ARG 2 -6.554 -2.588 -1.201 7 HB3 ARG 2 1HB ARG 2 -5.709 -1.054 -1.138 8 HG2 ARG 2 2HG ARG 2 -3.806 -2.014 -2.261 9 HG3 ARG 2 1HG ARG 2 -4.563 -3.606 -2.256 10 HD2 ARG 2 2HD ARG 2 -5.547 -1.130 -3.679 11 HD3 ARG 2 1HD ARG 2 -4.868 -2.580 -4.417 12 HE ARG 2 HE ARG 2 -7.061 -3.378 -2.912 13 HH11 ARG 2 1HH1 ARG 2 -6.448 -1.488 -5.844 14 HH12 ARG 2 2HH1 ARG 2 -8.004 -1.724 -6.482 15 HH21 ARG 2 1HH2 ARG 2 -9.196 -3.682 -3.789 16 HH22 ARG 2 2HH2 ARG 2 -9.615 -2.990 -5.280 17 H ALA 3 H AZH 3 -2.682 -3.421 0.680 18 HA ALA 3 HA AZH 3 -1.444 -0.775 0.836 19 HB1 ALA 3 1HB AZH 3 0.097 -2.046 2.554 20 HB2 ALA 3 2HB AZH 3 -1.333 -3.033 2.784 21 H TYR 4 H TYR 4 0.356 -0.568 -0.232 22 HA TYR 4 HA TYR 4 1.401 -2.808 -1.739 23 HB2 TYR 4 2HB TYR 4 1.987 0.160 -1.742 24 HB3 TYR 4 1HB TYR 4 2.896 -0.993 -2.707 25 HD1 TYR 4 1HD TYR 4 2.107 -1.654 -4.793 26 HD2 TYR 4 2HD TYR 4 -0.528 0.375 -2.165 27 HE1 TYR 4 1HE TYR 4 0.480 -1.467 -6.601 28 HE2 TYR 4 2HE TYR 4 -2.180 0.566 -3.963 29 HH TYR 4 HH TYR 4 -1.952 -1.208 -6.799 30 H LYS 5 H LYS 5 2.937 -4.024 -0.866 31 HA LYS 5 HA LYS 5 4.385 -3.070 1.437 32 HB2 LYS 5 2HB LYS 5 4.570 -5.726 0.008 33 HB3 LYS 5 1HB LYS 5 5.345 -5.335 1.534 34 HG2 LYS 5 2HG LYS 5 3.167 -5.052 2.580 35 HG3 LYS 5 1HG LYS 5 2.369 -5.417 1.053 36 HD2 LYS 5 2HD LYS 5 3.491 -7.632 1.061 37 HD3 LYS 5 1HD LYS 5 4.144 -7.252 2.655 38 HE2 LYS 5 2HE LYS 5 1.839 -6.984 3.495 39 HE3 LYS 5 1HE LYS 5 1.234 -7.456 1.907 40 HZ1 LYS 5 1HZ LYS 5 1.238 -9.344 3.407 41 HZ2 LYS 5 2HZ LYS 5 2.862 -9.108 3.737 42 HZ3 LYS 5 3HZ LYS 5 2.402 -9.603 2.204 43 H SER 6 H SER 6 5.308 -1.389 0.171 44 HA SER 6 HA SER 6 7.943 -2.111 -0.814 45 HB2 SER 6 2HB SER 6 6.025 -0.265 -2.268 46 HB3 SER 6 1HB SER 6 7.675 -0.644 -2.757 47 HG SER 6 HG SER 6 7.039 -2.765 -3.134 48 H LYS 7 H LYS 7 9.239 -0.027 -0.849 49 HA LYS 7 HA LYS 7 8.163 1.883 1.077 50 HB2 LYS 7 2HB LYS 7 11.005 1.008 0.541 51 HB3 LYS 7 1HB LYS 7 10.601 2.404 1.529 52 HG2 LYS 7 2HG LYS 7 9.431 0.977 3.107 53 HG3 LYS 7 1HG LYS 7 9.735 -0.428 2.090 54 HD2 LYS 7 2HD LYS 7 11.294 -0.325 3.982 55 HD3 LYS 7 1HD LYS 7 12.135 -0.191 2.443 56 HE2 LYS 7 2HE LYS 7 13.043 1.370 4.087 57 HE3 LYS 7 1HE LYS 7 12.311 2.239 2.747 58 HZ1 LYS 7 1HZ LYS 7 11.747 3.223 4.854 59 HZ2 LYS 7 2HZ LYS 7 11.066 1.784 5.410 60 HZ3 LYS 7 3HZ LYS 7 10.352 2.619 4.135 61 HA PRO 8 HA PRO 8 7.619 3.792 1.367 62 HB2 PRO 8 2HB PRO 8 5.953 5.685 -0.002 63 HB3 PRO 8 1HB PRO 8 7.200 6.011 1.202 64 HG2 PRO 8 2HG PRO 8 7.392 6.752 -1.439 65 HG3 PRO 8 1HG PRO 8 8.785 6.466 -0.384 66 HD2 PRO 8 2HD PRO 8 7.535 4.639 -2.401 67 HD3 PRO 8 1HD PRO 8 9.254 4.957 -2.079 68 HA PRO 9 HA PRO 9 4.095 1.329 0.302 69 HB2 PRO 9 2HB PRO 9 2.874 1.266 2.691 70 HB3 PRO 9 1HB PRO 9 4.392 0.417 2.388 71 HG2 PRO 9 2HG PRO 9 3.905 2.968 3.842 72 HG3 PRO 9 1HG PRO 9 5.106 1.707 4.160 73 HD2 PRO 9 2HD PRO 9 5.585 4.118 2.834 74 HD3 PRO 9 1HD PRO 9 6.626 2.681 2.797 75 H ILE 10 H ILE 10 2.366 1.891 -0.776 76 HA ILE 10 HA ILE 10 0.834 4.247 0.035 77 HB ILE 10 HB ILE 10 0.749 2.660 -2.564 78 HG12 ILE 10 2HG1 ILE 10 1.931 5.398 -2.013 79 HG13 ILE 10 1HG1 ILE 10 2.859 3.926 -2.262 80 HG21 ILE 10 1HG2 ILE 10 -0.631 4.509 -3.423 81 HG22 ILE 10 2HG2 ILE 10 -0.610 5.261 -1.828 82 HG23 ILE 10 3HG2 ILE 10 -1.401 3.700 -2.057 83 HD11 ILE 10 1HD1 ILE 10 1.070 5.256 -4.287 84 HD12 ILE 10 2HD1 ILE 10 2.004 3.782 -4.550 85 HD13 ILE 10 3HD1 ILE 10 2.832 5.312 -4.258 86 H ALA 11 H PRG 11 -1.188 3.920 0.905 87 HA ALA 11 HA PRG 11 -2.303 1.236 0.595 88 HB1 ALA 11 1HB PRG 11 -3.128 1.219 2.873 89 HB2 ALA 11 2HB PRG 11 -2.558 2.852 3.142 90 H PHE 12 H PHE 12 -4.534 1.131 0.713 91 HA PHE 12 HA PHE 12 -5.918 3.664 0.285 92 HB2 PHE 12 2HB PHE 12 -6.262 1.072 -1.242 93 HB3 PHE 12 1HB PHE 12 -7.441 2.378 -1.291 94 HD1 PHE 12 1HD PHE 12 -4.216 1.204 -2.480 95 HD2 PHE 12 2HD PHE 12 -6.840 4.547 -2.289 96 HE1 PHE 12 1HE PHE 12 -2.941 2.332 -4.290 97 HE2 PHE 12 2HE PHE 12 -5.577 5.648 -4.077 98 HZ PHE 12 HZ PHE 12 -3.624 4.532 -5.071 99 HA PRO 13 HA PRO 13 -8.359 2.748 3.881 100 HB2 PRO 13 2HB PRO 13 -10.502 3.851 2.119 101 HB3 PRO 13 1HB PRO 13 -10.141 4.222 3.806 102 HG2 PRO 13 2HG PRO 13 -9.356 5.893 1.930 103 HG3 PRO 13 1HG PRO 13 -8.260 5.489 3.259 104 HD2 PRO 13 2HD PRO 13 -8.198 4.588 0.418 105 HD3 PRO 13 1HD PRO 13 -6.862 4.921 1.541 106 H ASP 14 H ASP 14 -9.316 1.496 0.787 107 HA ASP 14 HA ASP 14 -11.518 -0.089 1.605 108 HB2 ASP 14 2HB ASP 14 -11.095 0.331 -0.771 109 HB3 ASP 14 1HB ASP 14 -9.581 -0.564 -0.676 110 H1 WMH 101 1HG AZH 3 -1.628 -1.488 4.434 111 H2 WMH 101 2HG AZH 3 -2.516 -0.725 3.126 112 H5 WMH 101 HD PRG 11 0.119 3.217 3.319 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -8.042 -0.301 1.526 2 HA2 GLY 1 2HA GLY 1 -7.654 -1.978 3.275 3 HA3 GLY 1 1HA GLY 1 -8.912 -2.937 2.508 4 H ARG 2 H ARG 2 -5.998 -1.231 1.358 5 HA ARG 2 HA ARG 2 -4.947 -3.770 0.384 6 HB2 ARG 2 2HB ARG 2 -6.186 -2.826 -1.554 7 HB3 ARG 2 1HB ARG 2 -5.240 -1.349 -1.414 8 HG2 ARG 2 2HG ARG 2 -3.180 -2.734 -1.746 9 HG3 ARG 2 1HG ARG 2 -4.236 -4.091 -2.113 10 HD2 ARG 2 2HD ARG 2 -4.107 -1.474 -3.595 11 HD3 ARG 2 1HD ARG 2 -3.423 -3.000 -4.134 12 HE ARG 2 HE ARG 2 -6.165 -3.338 -3.672 13 HH11 ARG 2 1HH1 ARG 2 -3.945 -1.764 -5.960 14 HH12 ARG 2 2HH1 ARG 2 -5.079 -1.791 -7.233 15 HH21 ARG 2 1HH2 ARG 2 -7.678 -3.332 -5.423 16 HH22 ARG 2 2HH2 ARG 2 -7.242 -2.663 -6.928 17 H ALA 3 H AZH 3 -2.825 -3.829 0.837 18 HA ALA 3 HA AZH 3 -1.449 -1.272 1.209 19 HB1 ALA 3 1HB AZH 3 0.018 -2.866 2.774 20 HB2 ALA 3 2HB AZH 3 -1.534 -3.673 2.936 21 H TYR 4 H TYR 4 0.408 -0.981 0.188 22 HA TYR 4 HA TYR 4 1.441 -3.218 -1.373 23 HB2 TYR 4 2HB TYR 4 1.965 -0.244 -1.573 24 HB3 TYR 4 1HB TYR 4 2.751 -1.462 -2.567 25 HD1 TYR 4 1HD TYR 4 -0.178 0.581 -2.110 26 HD2 TYR 4 2HD TYR 4 1.363 -2.797 -4.170 27 HE1 TYR 4 1HE TYR 4 -1.991 0.759 -3.743 28 HE2 TYR 4 2HE TYR 4 -0.443 -2.630 -5.810 29 HH TYR 4 HH TYR 4 -2.345 0.061 -6.150 30 H LYS 5 H LYS 5 3.108 -4.256 -0.547 31 HA LYS 5 HA LYS 5 4.620 -2.949 1.508 32 HB2 LYS 5 2HB LYS 5 4.693 -5.805 0.553 33 HB3 LYS 5 1HB LYS 5 5.664 -5.184 1.878 34 HG2 LYS 5 2HG LYS 5 2.648 -5.342 1.764 35 HG3 LYS 5 1HG LYS 5 3.716 -6.325 2.760 36 HD2 LYS 5 2HD LYS 5 3.264 -3.334 3.005 37 HD3 LYS 5 1HD LYS 5 2.689 -4.578 4.105 38 HE2 LYS 5 2HE LYS 5 4.965 -5.165 4.697 39 HE3 LYS 5 1HE LYS 5 5.577 -4.010 3.517 40 HZ1 LYS 5 1HZ LYS 5 5.648 -3.173 5.781 41 HZ2 LYS 5 2HZ LYS 5 3.961 -3.260 5.895 42 HZ3 LYS 5 3HZ LYS 5 4.685 -2.213 4.793 43 H SER 6 H SER 6 5.357 -1.448 0.066 44 HA SER 6 HA SER 6 7.994 -2.048 -0.907 45 HB2 SER 6 2HB SER 6 5.874 -0.685 -2.610 46 HB3 SER 6 1HB SER 6 7.558 -0.934 -3.060 47 HG SER 6 HG SER 6 6.519 -3.286 -2.384 48 H LYS 7 H LYS 7 9.005 0.179 -1.355 49 HA LYS 7 HA LYS 7 7.765 2.159 0.379 50 HB2 LYS 7 2HB LYS 7 9.917 3.382 0.260 51 HB3 LYS 7 1HB LYS 7 10.145 1.740 0.840 52 HG2 LYS 7 2HG LYS 7 10.990 1.050 -1.304 53 HG3 LYS 7 1HG LYS 7 10.636 2.630 -1.994 54 HD2 LYS 7 2HD LYS 7 12.997 2.457 -1.498 55 HD3 LYS 7 1HD LYS 7 12.252 3.632 -0.422 56 HE2 LYS 7 2HE LYS 7 12.191 2.002 1.374 57 HE3 LYS 7 1HE LYS 7 12.832 0.760 0.298 58 HZ1 LYS 7 1HZ LYS 7 14.526 1.697 1.712 59 HZ2 LYS 7 2HZ LYS 7 14.241 3.237 1.102 60 HZ3 LYS 7 3HZ LYS 7 14.847 2.011 0.090 61 HA PRO 8 HA PRO 8 7.523 4.217 0.632 62 HB2 PRO 8 2HB PRO 8 5.499 5.978 0.332 63 HB3 PRO 8 1HB PRO 8 7.157 6.384 -0.122 64 HG2 PRO 8 2HG PRO 8 4.847 5.649 -1.842 65 HG3 PRO 8 1HG PRO 8 6.170 6.779 -2.162 66 HD2 PRO 8 2HD PRO 8 5.978 4.160 -3.118 67 HD3 PRO 8 1HD PRO 8 7.450 5.141 -3.091 68 HA PRO 9 HA PRO 9 4.124 1.622 1.858 69 HB2 PRO 9 2HB PRO 9 3.250 2.858 4.148 70 HB3 PRO 9 1HB PRO 9 4.692 1.840 4.082 71 HG2 PRO 9 2HG PRO 9 4.469 4.815 4.032 72 HG3 PRO 9 1HG PRO 9 5.667 3.796 4.847 73 HD2 PRO 9 2HD PRO 9 6.169 5.085 2.510 74 HD3 PRO 9 1HD PRO 9 6.930 3.539 2.929 75 H ILE 10 H ILE 10 2.744 2.004 0.207 76 HA ILE 10 HA ILE 10 0.762 4.132 0.521 77 HB ILE 10 HB ILE 10 1.430 2.446 -1.915 78 HG12 ILE 10 2HG1 ILE 10 3.200 4.057 -1.451 79 HG13 ILE 10 1HG1 ILE 10 2.305 4.541 -2.887 80 HG21 ILE 10 1HG2 ILE 10 -0.485 4.763 -1.670 81 HG22 ILE 10 2HG2 ILE 10 -0.929 3.070 -1.880 82 HG23 ILE 10 3HG2 ILE 10 -0.073 3.923 -3.164 83 HD11 ILE 10 1HD1 ILE 10 2.825 6.465 -1.514 84 HD12 ILE 10 2HD1 ILE 10 2.038 5.719 -0.127 85 HD13 ILE 10 3HD1 ILE 10 1.082 6.191 -1.533 86 H ALA 11 H PRG 11 -0.997 3.488 1.479 87 HA ALA 11 HA PRG 11 -2.006 0.827 0.822 88 HB1 ALA 11 1HB PRG 11 -2.923 0.597 3.085 89 HB2 ALA 11 2HB PRG 11 -2.324 2.182 3.528 90 H PHE 12 H PHE 12 -4.113 0.766 0.380 91 HA PHE 12 HA PHE 12 -5.391 3.365 0.006 92 HB2 PHE 12 2HB PHE 12 -6.155 0.654 -1.116 93 HB3 PHE 12 1HB PHE 12 -7.009 2.152 -1.438 94 HD1 PHE 12 1HD PHE 12 -4.204 3.718 -1.637 95 HD2 PHE 12 2HD PHE 12 -5.885 0.274 -3.488 96 HE1 PHE 12 1HE PHE 12 -2.805 4.095 -3.612 97 HE2 PHE 12 2HE PHE 12 -4.484 0.652 -5.461 98 HZ PHE 12 HZ PHE 12 -2.933 2.571 -5.521 99 HA PRO 13 HA PRO 13 -7.850 2.742 3.631 100 HB2 PRO 13 2HB PRO 13 -9.999 4.327 2.850 101 HB3 PRO 13 1HB PRO 13 -8.532 4.909 3.639 102 HG2 PRO 13 2HG PRO 13 -9.258 4.927 0.747 103 HG3 PRO 13 1HG PRO 13 -8.378 6.137 1.690 104 HD2 PRO 13 2HD PRO 13 -7.142 4.451 0.016 105 HD3 PRO 13 1HD PRO 13 -6.383 4.982 1.532 106 H ASP 14 H ASP 14 -8.839 1.832 0.531 107 HA ASP 14 HA ASP 14 -11.344 0.616 1.144 108 HB2 ASP 14 2HB ASP 14 -10.791 1.105 -1.164 109 HB3 ASP 14 1HB ASP 14 -9.356 0.092 -1.077 110 H1 WMH 101 1HG AZH 3 -1.506 -2.194 4.712 111 H2 WMH 101 2HG AZH 3 -2.461 -1.351 3.497 112 H5 WMH 101 HD PRG 11 0.486 2.415 3.529 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -7.887 -0.396 1.561 2 HA2 GLY 1 2HA GLY 1 -7.325 -1.943 3.360 3 HA3 GLY 1 1HA GLY 1 -8.409 -3.105 2.605 4 H ARG 2 H ARG 2 -6.238 -1.114 0.738 5 HA ARG 2 HA ARG 2 -4.704 -3.548 0.161 6 HB2 ARG 2 2HB ARG 2 -6.122 -2.746 -1.749 7 HB3 ARG 2 1HB ARG 2 -5.195 -1.253 -1.747 8 HG2 ARG 2 2HG ARG 2 -3.151 -2.531 -2.201 9 HG3 ARG 2 1HG ARG 2 -4.106 -4.011 -2.244 10 HD2 ARG 2 2HD ARG 2 -4.369 -1.655 -4.103 11 HD3 ARG 2 1HD ARG 2 -3.633 -3.205 -4.481 12 HE ARG 2 HE ARG 2 -6.406 -3.277 -3.626 13 HH11 ARG 2 1HH1 ARG 2 -4.129 -3.481 -6.310 14 HH12 ARG 2 2HH1 ARG 2 -5.299 -3.836 -7.477 15 HH21 ARG 2 1HH2 ARG 2 -8.023 -3.872 -5.218 16 HH22 ARG 2 2HH2 ARG 2 -7.562 -4.134 -6.832 17 H ALA 3 H AZH 3 -2.764 -3.439 0.959 18 HA ALA 3 HA AZH 3 -1.451 -0.840 1.310 19 HB1 ALA 3 1HB AZH 3 0.010 -2.457 2.857 20 HB2 ALA 3 2HB AZH 3 -1.498 -3.349 2.894 21 H TYR 4 H TYR 4 0.389 -0.436 0.337 22 HA TYR 4 HA TYR 4 1.647 -2.466 -1.309 23 HB2 TYR 4 2HB TYR 4 1.997 0.507 -1.001 24 HB3 TYR 4 1HB TYR 4 3.224 -0.456 -1.814 25 HD1 TYR 4 1HD TYR 4 3.103 -0.515 -4.092 26 HD2 TYR 4 2HD TYR 4 -0.505 -0.049 -1.897 27 HE1 TYR 4 1HE TYR 4 1.860 -0.367 -6.191 28 HE2 TYR 4 2HE TYR 4 -1.765 0.095 -4.000 29 HH TYR 4 HH TYR 4 -1.344 0.693 -6.387 30 H LYS 5 H LYS 5 3.266 -3.599 -0.636 31 HA LYS 5 HA LYS 5 4.343 -3.069 1.993 32 HB2 LYS 5 2HB LYS 5 4.753 -5.439 0.142 33 HB3 LYS 5 1HB LYS 5 5.512 -5.289 1.714 34 HG2 LYS 5 2HG LYS 5 3.630 -6.750 1.954 35 HG3 LYS 5 1HG LYS 5 3.215 -5.228 2.732 36 HD2 LYS 5 2HD LYS 5 2.002 -4.584 0.641 37 HD3 LYS 5 1HD LYS 5 2.319 -6.201 0.021 38 HE2 LYS 5 2HE LYS 5 0.796 -5.576 2.550 39 HE3 LYS 5 1HE LYS 5 0.055 -5.923 0.997 40 HZ1 LYS 5 1HZ LYS 5 0.054 -7.864 2.370 41 HZ2 LYS 5 2HZ LYS 5 1.710 -7.803 2.615 42 HZ3 LYS 5 3HZ LYS 5 1.090 -8.139 1.081 43 H SER 6 H SER 6 5.224 -2.678 -1.272 44 HA SER 6 HA SER 6 8.022 -2.314 -0.717 45 HB2 SER 6 2HB SER 6 6.396 -1.685 -3.195 46 HB3 SER 6 1HB SER 6 8.156 -1.694 -3.079 47 HG SER 6 HG SER 6 7.230 -4.012 -2.168 48 H LYS 7 H LYS 7 9.004 -0.361 -0.543 49 HA LYS 7 HA LYS 7 7.570 1.882 0.403 50 HB2 LYS 7 2HB LYS 7 9.863 1.279 1.087 51 HB3 LYS 7 1HB LYS 7 10.415 1.578 -0.550 52 HG2 LYS 7 2HG LYS 7 9.852 3.968 -0.274 53 HG3 LYS 7 1HG LYS 7 9.338 3.635 1.381 54 HD2 LYS 7 2HD LYS 7 11.600 4.521 1.378 55 HD3 LYS 7 1HD LYS 7 11.606 2.844 1.917 56 HE2 LYS 7 2HE LYS 7 12.283 2.151 -0.382 57 HE3 LYS 7 1HE LYS 7 12.348 3.854 -0.838 58 HZ1 LYS 7 1HZ LYS 7 14.011 2.504 1.203 59 HZ2 LYS 7 2HZ LYS 7 14.055 4.149 0.863 60 HZ3 LYS 7 3HZ LYS 7 14.517 3.047 -0.310 61 HA PRO 8 HA PRO 8 7.406 4.067 0.434 62 HB2 PRO 8 2HB PRO 8 5.454 5.804 -0.255 63 HB3 PRO 8 1HB PRO 8 7.161 6.155 -0.538 64 HG2 PRO 8 2HG PRO 8 5.090 5.168 -2.451 65 HG3 PRO 8 1HG PRO 8 6.343 6.394 -2.698 66 HD2 PRO 8 2HD PRO 8 6.561 3.810 -3.558 67 HD3 PRO 8 1HD PRO 8 7.953 4.829 -3.149 68 HA PRO 9 HA PRO 9 3.986 1.247 1.172 69 HB2 PRO 9 2HB PRO 9 3.795 2.535 3.818 70 HB3 PRO 9 1HB PRO 9 4.127 0.849 3.423 71 HG2 PRO 9 2HG PRO 9 6.039 2.455 4.382 72 HG3 PRO 9 1HG PRO 9 6.391 1.211 3.167 73 HD2 PRO 9 2HD PRO 9 6.035 4.161 2.813 74 HD3 PRO 9 1HD PRO 9 7.229 3.061 2.087 75 H ILE 10 H ILE 10 2.330 1.973 -0.011 76 HA ILE 10 HA ILE 10 0.749 4.243 0.977 77 HB ILE 10 HB ILE 10 0.673 2.887 -1.750 78 HG12 ILE 10 2HG1 ILE 10 1.822 5.590 -0.998 79 HG13 ILE 10 1HG1 ILE 10 2.777 4.154 -1.335 80 HG21 ILE 10 1HG2 ILE 10 -1.477 3.871 -1.119 81 HG22 ILE 10 2HG2 ILE 10 -0.733 4.789 -2.427 82 HG23 ILE 10 3HG2 ILE 10 -0.684 5.409 -0.778 83 HD11 ILE 10 1HD1 ILE 10 1.933 4.141 -3.632 84 HD12 ILE 10 2HD1 ILE 10 2.738 5.661 -3.239 85 HD13 ILE 10 3HD1 ILE 10 0.976 5.580 -3.283 86 H ALA 11 H PRG 11 -1.225 3.759 1.860 87 HA ALA 11 HA PRG 11 -2.239 1.085 1.313 88 HB1 ALA 11 1HB PRG 11 -3.104 0.903 3.598 89 HB2 ALA 11 2HB PRG 11 -2.466 2.486 3.990 90 H PHE 12 H PHE 12 -3.924 1.221 0.246 91 HA PHE 12 HA PHE 12 -5.516 3.598 0.121 92 HB2 PHE 12 2HB PHE 12 -5.719 0.919 -1.267 93 HB3 PHE 12 1HB PHE 12 -6.868 2.226 -1.528 94 HD1 PHE 12 1HD PHE 12 -6.263 4.173 -2.759 95 HD2 PHE 12 2HD PHE 12 -3.413 1.099 -2.087 96 HE1 PHE 12 1HE PHE 12 -4.800 5.167 -4.471 97 HE2 PHE 12 2HE PHE 12 -1.940 2.097 -3.802 98 HZ PHE 12 HZ PHE 12 -2.636 4.123 -4.991 99 HA PRO 13 HA PRO 13 -8.254 2.773 3.519 100 HB2 PRO 13 2HB PRO 13 -10.263 3.909 1.620 101 HB3 PRO 13 1HB PRO 13 -9.967 4.318 3.318 102 HG2 PRO 13 2HG PRO 13 -9.079 5.911 1.414 103 HG3 PRO 13 1HG PRO 13 -8.051 5.546 2.810 104 HD2 PRO 13 2HD PRO 13 -7.883 4.518 0.014 105 HD3 PRO 13 1HD PRO 13 -6.590 4.909 1.162 106 H ASP 14 H ASP 14 -8.978 1.605 0.349 107 HA ASP 14 HA ASP 14 -11.235 -0.023 0.874 108 HB2 ASP 14 2HB ASP 14 -10.584 0.484 -1.408 109 HB3 ASP 14 1HB ASP 14 -9.030 -0.306 -1.183 110 H1 WMH 101 1HG AZH 3 -1.668 -2.016 4.764 111 H2 WMH 101 2HG AZH 3 -2.558 -1.084 3.567 112 H5 WMH 101 HD PRG 11 0.266 2.730 4.129 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -7.979 -0.237 1.681 2 HA2 GLY 1 2HA GLY 1 -7.205 -1.658 3.459 3 HA3 GLY 1 1HA GLY 1 -8.296 -2.909 2.880 4 H ARG 2 H ARG 2 -6.106 -0.869 1.022 5 HA ARG 2 HA ARG 2 -4.734 -3.338 0.233 6 HB2 ARG 2 2HB ARG 2 -5.218 -0.914 -1.500 7 HB3 ARG 2 1HB ARG 2 -4.306 -2.334 -1.972 8 HG2 ARG 2 2HG ARG 2 -6.309 -3.702 -1.747 9 HG3 ARG 2 1HG ARG 2 -7.230 -2.273 -1.275 10 HD2 ARG 2 2HD ARG 2 -7.615 -2.720 -3.600 11 HD3 ARG 2 1HD ARG 2 -6.667 -1.246 -3.447 12 HE ARG 2 HE ARG 2 -4.934 -3.424 -3.778 13 HH11 ARG 2 1HH1 ARG 2 -7.260 -1.480 -5.621 14 HH12 ARG 2 2HH1 ARG 2 -6.614 -1.877 -7.145 15 HH21 ARG 2 1HH2 ARG 2 -4.034 -3.952 -5.900 16 HH22 ARG 2 2HH2 ARG 2 -4.741 -3.284 -7.302 17 H ALA 3 H AZH 3 -2.960 -3.309 1.358 18 HA ALA 3 HA AZH 3 -1.319 -0.878 1.479 19 HB1 ALA 3 1HB AZH 3 -0.121 -2.382 3.271 20 HB2 ALA 3 2HB AZH 3 -1.645 -3.242 3.300 21 H TYR 4 H TYR 4 0.596 -0.913 0.559 22 HA TYR 4 HA TYR 4 1.401 -3.382 -0.761 23 HB2 TYR 4 2HB TYR 4 1.902 -0.490 -1.427 24 HB3 TYR 4 1HB TYR 4 2.872 -1.781 -2.140 25 HD1 TYR 4 1HD TYR 4 2.028 -3.114 -3.883 26 HD2 TYR 4 2HD TYR 4 -0.585 -0.466 -1.831 27 HE1 TYR 4 1HE TYR 4 0.299 -3.550 -5.550 28 HE2 TYR 4 2HE TYR 4 -2.330 -0.893 -3.498 29 HH TYR 4 HH TYR 4 -2.493 -1.649 -5.796 30 H LYS 5 H LYS 5 3.622 -3.930 -0.866 31 HA LYS 5 HA LYS 5 4.877 -3.505 1.719 32 HB2 LYS 5 2HB LYS 5 5.805 -5.269 -0.568 33 HB3 LYS 5 1HB LYS 5 6.440 -5.266 1.057 34 HG2 LYS 5 2HG LYS 5 5.142 -7.226 0.866 35 HG3 LYS 5 1HG LYS 5 4.152 -6.113 1.802 36 HD2 LYS 5 2HD LYS 5 2.715 -5.695 -0.023 37 HD3 LYS 5 1HD LYS 5 3.847 -6.374 -1.186 38 HE2 LYS 5 2HE LYS 5 2.011 -7.911 -0.847 39 HE3 LYS 5 1HE LYS 5 3.486 -8.605 -0.199 40 HZ1 LYS 5 1HZ LYS 5 2.717 -7.921 2.044 41 HZ2 LYS 5 2HZ LYS 5 1.655 -8.971 1.275 42 HZ3 LYS 5 3HZ LYS 5 1.302 -7.328 1.329 43 H SER 6 H SER 6 5.163 -2.641 -1.612 44 HA SER 6 HA SER 6 7.837 -1.914 -1.744 45 HB2 SER 6 2HB SER 6 6.953 -0.502 -3.679 46 HB3 SER 6 1HB SER 6 6.660 -2.242 -3.755 47 HG SER 6 HG SER 6 4.824 -0.284 -2.818 48 H LYS 7 H LYS 7 8.877 -0.050 -1.244 49 HA LYS 7 HA LYS 7 7.438 1.801 0.451 50 HB2 LYS 7 2HB LYS 7 10.390 1.551 -0.132 51 HB3 LYS 7 1HB LYS 7 9.680 2.671 1.022 52 HG2 LYS 7 2HG LYS 7 8.821 0.766 2.314 53 HG3 LYS 7 1HG LYS 7 9.589 -0.335 1.168 54 HD2 LYS 7 2HD LYS 7 11.769 0.643 1.714 55 HD3 LYS 7 1HD LYS 7 10.985 1.710 2.881 56 HE2 LYS 7 2HE LYS 7 10.201 -0.234 4.123 57 HE3 LYS 7 1HE LYS 7 10.999 -1.299 2.971 58 HZ1 LYS 7 1HZ LYS 7 13.134 -0.254 3.612 59 HZ2 LYS 7 2HZ LYS 7 12.379 -1.022 4.910 60 HZ3 LYS 7 3HZ LYS 7 12.323 0.650 4.784 61 HA PRO 8 HA PRO 8 7.448 3.893 1.158 62 HB2 PRO 8 2HB PRO 8 5.610 5.857 0.756 63 HB3 PRO 8 1HB PRO 8 7.340 6.190 0.850 64 HG2 PRO 8 2HG PRO 8 5.598 5.898 -1.552 65 HG3 PRO 8 1HG PRO 8 6.872 7.089 -1.225 66 HD2 PRO 8 2HD PRO 8 7.257 4.912 -2.796 67 HD3 PRO 8 1HD PRO 8 8.551 5.632 -1.820 68 HA PRO 9 HA PRO 9 3.969 1.127 0.608 69 HB2 PRO 9 2HB PRO 9 3.435 1.565 3.469 70 HB3 PRO 9 1HB PRO 9 3.832 0.070 2.615 71 HG2 PRO 9 2HG PRO 9 5.597 1.253 4.245 72 HG3 PRO 9 1HG PRO 9 6.107 0.429 2.759 73 HD2 PRO 9 2HD PRO 9 5.758 3.354 3.283 74 HD3 PRO 9 1HD PRO 9 7.045 2.492 2.406 75 H ILE 10 H ILE 10 2.283 1.937 -0.367 76 HA ILE 10 HA ILE 10 0.787 4.103 0.861 77 HB ILE 10 HB ILE 10 1.381 4.395 -1.517 78 HG12 ILE 10 2HG1 ILE 10 -0.890 4.791 -2.490 79 HG13 ILE 10 1HG1 ILE 10 -1.583 3.908 -1.138 80 HG21 ILE 10 1HG2 ILE 10 0.475 2.976 -3.287 81 HG22 ILE 10 2HG2 ILE 10 -0.153 1.874 -2.062 82 HG23 ILE 10 3HG2 ILE 10 1.586 2.112 -2.223 83 HD11 ILE 10 1HD1 ILE 10 -1.766 6.311 -0.830 84 HD12 ILE 10 2HD1 ILE 10 -0.012 6.471 -0.947 85 HD13 ILE 10 3HD1 ILE 10 -0.731 5.595 0.405 86 H ALA 11 H PRG 11 -1.240 3.750 1.679 87 HA ALA 11 HA PRG 11 -2.335 1.078 1.243 88 HB1 ALA 11 1HB PRG 11 -3.246 1.000 3.501 89 HB2 ALA 11 2HB PRG 11 -2.662 2.609 3.848 90 H PHE 12 H PHE 12 -3.979 1.230 0.095 91 HA PHE 12 HA PHE 12 -5.543 3.625 -0.127 92 HB2 PHE 12 2HB PHE 12 -5.967 0.891 -1.373 93 HB3 PHE 12 1HB PHE 12 -6.874 2.337 -1.773 94 HD1 PHE 12 1HD PHE 12 -5.843 4.161 -3.027 95 HD2 PHE 12 2HD PHE 12 -3.711 0.561 -2.211 96 HE1 PHE 12 1HE PHE 12 -4.206 4.739 -4.750 97 HE2 PHE 12 2HE PHE 12 -2.066 1.153 -3.947 98 HZ PHE 12 HZ PHE 12 -2.315 3.239 -5.215 99 HA PRO 13 HA PRO 13 -8.239 2.964 3.312 100 HB2 PRO 13 2HB PRO 13 -10.579 3.909 2.074 101 HB3 PRO 13 1HB PRO 13 -9.410 4.856 2.997 102 HG2 PRO 13 2HG PRO 13 -9.641 4.483 0.046 103 HG3 PRO 13 1HG PRO 13 -9.180 5.928 0.962 104 HD2 PRO 13 2HD PRO 13 -7.355 4.496 -0.306 105 HD3 PRO 13 1HD PRO 13 -7.001 5.156 1.307 106 H ASP 14 H ASP 14 -9.054 1.519 0.253 107 HA ASP 14 HA ASP 14 -11.293 -0.016 1.142 108 HB2 ASP 14 2HB ASP 14 -10.836 0.419 -1.253 109 HB3 ASP 14 1HB ASP 14 -9.380 -0.563 -1.143 110 H1 WMH 101 1HG AZH 3 -1.854 -1.756 5.043 111 H2 WMH 101 2HG AZH 3 -2.706 -0.944 3.736 112 H5 WMH 101 HD PRG 11 0.071 2.904 4.023 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -8.335 -0.424 1.610 2 HA2 GLY 1 2HA GLY 1 -7.945 -2.531 2.618 3 HA3 GLY 1 1HA GLY 1 -9.030 -3.259 1.443 4 H ARG 2 H ARG 2 -6.071 -1.256 1.279 5 HA ARG 2 HA ARG 2 -4.695 -3.449 -0.001 6 HB2 ARG 2 2HB ARG 2 -5.869 -2.264 -1.862 7 HB3 ARG 2 1HB ARG 2 -4.971 -0.811 -1.440 8 HG2 ARG 2 2HG ARG 2 -2.873 -1.980 -1.879 9 HG3 ARG 2 1HG ARG 2 -3.788 -3.421 -2.323 10 HD2 ARG 2 2HD ARG 2 -4.915 -2.060 -4.063 11 HD3 ARG 2 1HD ARG 2 -3.784 -0.759 -3.695 12 HE ARG 2 HE ARG 2 -2.360 -3.111 -4.152 13 HH11 ARG 2 1HH1 ARG 2 -4.194 -0.640 -5.905 14 HH12 ARG 2 2HH1 ARG 2 -3.476 -0.981 -7.417 15 HH21 ARG 2 1HH2 ARG 2 -1.387 -3.579 -6.272 16 HH22 ARG 2 2HH2 ARG 2 -1.856 -2.659 -7.621 17 H ALA 3 H AZH 3 -2.633 -3.432 0.639 18 HA ALA 3 HA AZH 3 -1.411 -0.914 1.493 19 HB1 ALA 3 1HB AZH 3 -0.182 -2.627 3.142 20 HB2 ALA 3 2HB AZH 3 -1.729 -3.440 3.013 21 H TYR 4 H TYR 4 0.570 -0.566 0.767 22 HA TYR 4 HA TYR 4 1.793 -2.611 -0.881 23 HB2 TYR 4 2HB TYR 4 2.283 0.347 -0.558 24 HB3 TYR 4 1HB TYR 4 3.429 -0.687 -1.396 25 HD1 TYR 4 1HD TYR 4 3.033 -1.370 -3.626 26 HD2 TYR 4 2HD TYR 4 -0.031 0.637 -1.483 27 HE1 TYR 4 1HE TYR 4 1.800 -1.048 -5.721 28 HE2 TYR 4 2HE TYR 4 -1.283 0.957 -3.576 29 HH TYR 4 HH TYR 4 -0.742 1.128 -5.959 30 H LYS 5 H LYS 5 3.668 -3.540 -0.457 31 HA LYS 5 HA LYS 5 4.680 -3.345 2.256 32 HB2 LYS 5 2HB LYS 5 5.450 -5.211 -0.003 33 HB3 LYS 5 1HB LYS 5 6.001 -5.334 1.658 34 HG2 LYS 5 2HG LYS 5 3.132 -5.586 0.778 35 HG3 LYS 5 1HG LYS 5 4.214 -6.942 1.091 36 HD2 LYS 5 2HD LYS 5 4.436 -6.224 3.429 37 HD3 LYS 5 1HD LYS 5 3.383 -4.846 3.110 38 HE2 LYS 5 2HE LYS 5 1.540 -6.306 2.606 39 HE3 LYS 5 1HE LYS 5 2.568 -7.731 2.759 40 HZ1 LYS 5 1HZ LYS 5 1.175 -7.323 4.691 41 HZ2 LYS 5 2HZ LYS 5 1.918 -5.844 4.971 42 HZ3 LYS 5 3HZ LYS 5 2.797 -7.284 5.079 43 H SER 6 H SER 6 5.757 -2.976 -1.080 44 HA SER 6 HA SER 6 8.375 -2.108 -0.334 45 HB2 SER 6 2HB SER 6 6.954 -2.049 -3.000 46 HB3 SER 6 1HB SER 6 8.683 -1.806 -2.744 47 HG SER 6 HG SER 6 7.792 -3.950 -3.354 48 H LYS 7 H LYS 7 9.213 -0.020 -0.903 49 HA LYS 7 HA LYS 7 7.428 2.068 -0.072 50 HB2 LYS 7 2HB LYS 7 10.355 2.128 -0.808 51 HB3 LYS 7 1HB LYS 7 9.468 3.485 -0.128 52 HG2 LYS 7 2HG LYS 7 9.056 2.215 1.912 53 HG3 LYS 7 1HG LYS 7 9.892 0.827 1.228 54 HD2 LYS 7 2HD LYS 7 11.147 3.527 1.745 55 HD3 LYS 7 1HD LYS 7 11.278 2.134 2.815 56 HE2 LYS 7 2HE LYS 7 12.401 0.875 1.019 57 HE3 LYS 7 1HE LYS 7 12.268 2.276 -0.036 58 HZ1 LYS 7 1HZ LYS 7 14.459 2.093 1.001 59 HZ2 LYS 7 2HZ LYS 7 13.763 2.237 2.530 60 HZ3 LYS 7 3HZ LYS 7 13.667 3.519 1.441 61 HA PRO 8 HA PRO 8 7.047 4.290 -0.253 62 HB2 PRO 8 2HB PRO 8 4.794 5.507 -1.086 63 HB3 PRO 8 1HB PRO 8 6.398 6.114 -1.519 64 HG2 PRO 8 2HG PRO 8 4.515 4.426 -3.114 65 HG3 PRO 8 1HG PRO 8 5.437 5.847 -3.632 66 HD2 PRO 8 2HD PRO 8 6.228 3.308 -4.138 67 HD3 PRO 8 1HD PRO 8 7.380 4.635 -3.902 68 HA PRO 9 HA PRO 9 4.010 1.135 0.834 69 HB2 PRO 9 2HB PRO 9 4.255 1.874 3.606 70 HB3 PRO 9 1HB PRO 9 4.921 0.449 2.804 71 HG2 PRO 9 2HG PRO 9 6.448 2.509 3.821 72 HG3 PRO 9 1HG PRO 9 6.973 1.405 2.542 73 HD2 PRO 9 2HD PRO 9 5.902 4.179 2.331 74 HD3 PRO 9 1HD PRO 9 7.212 3.390 1.426 75 H ILE 10 H ILE 10 2.389 2.385 -0.123 76 HA ILE 10 HA ILE 10 0.984 4.160 1.711 77 HB ILE 10 HB ILE 10 1.544 5.218 -0.421 78 HG12 ILE 10 2HG1 ILE 10 -1.426 4.621 -0.273 79 HG13 ILE 10 1HG1 ILE 10 -0.586 5.852 0.658 80 HG21 ILE 10 1HG2 ILE 10 0.620 4.451 -2.562 81 HG22 ILE 10 2HG2 ILE 10 0.009 3.004 -1.758 82 HG23 ILE 10 3HG2 ILE 10 1.745 3.296 -1.849 83 HD11 ILE 10 1HD1 ILE 10 -0.892 5.798 -2.336 84 HD12 ILE 10 2HD1 ILE 10 -0.053 7.042 -1.407 85 HD13 ILE 10 3HD1 ILE 10 -1.792 6.819 -1.212 86 H ALA 11 H PRG 11 -1.110 3.729 2.285 87 HA ALA 11 HA PRG 11 -2.115 1.177 1.314 88 HB1 ALA 11 1HB PRG 11 -3.203 0.822 3.484 89 HB2 ALA 11 2HB PRG 11 -2.605 2.360 4.069 90 H PHE 12 H PHE 12 -4.220 1.073 0.922 91 HA PHE 12 HA PHE 12 -5.610 3.627 0.665 92 HB2 PHE 12 2HB PHE 12 -5.798 1.079 -0.966 93 HB3 PHE 12 1HB PHE 12 -6.982 2.369 -1.076 94 HD1 PHE 12 1HD PHE 12 -3.333 1.679 -1.508 95 HD2 PHE 12 2HD PHE 12 -6.654 4.134 -2.546 96 HE1 PHE 12 1HE PHE 12 -1.968 2.818 -3.229 97 HE2 PHE 12 2HE PHE 12 -5.300 5.260 -4.248 98 HZ PHE 12 HZ PHE 12 -2.957 4.602 -4.592 99 HA PRO 13 HA PRO 13 -8.313 1.991 3.829 100 HB2 PRO 13 2HB PRO 13 -10.404 3.712 3.434 101 HB3 PRO 13 1HB PRO 13 -8.927 4.159 4.295 102 HG2 PRO 13 2HG PRO 13 -9.681 4.673 1.443 103 HG3 PRO 13 1HG PRO 13 -8.936 5.777 2.615 104 HD2 PRO 13 2HD PRO 13 -7.502 4.543 0.725 105 HD3 PRO 13 1HD PRO 13 -6.836 4.831 2.347 106 H ASP 14 H ASP 14 -8.684 1.621 0.620 107 HA ASP 14 HA ASP 14 -11.337 0.414 0.626 108 HB2 ASP 14 2HB ASP 14 -9.270 0.500 -1.586 109 HB3 ASP 14 1HB ASP 14 -10.934 -0.034 -1.751 110 H1 WMH 101 1HG AZH 3 -1.979 -2.106 4.883 111 H2 WMH 101 2HG AZH 3 -2.752 -1.161 3.613 112 H5 WMH 101 HD PRG 11 0.168 2.543 4.312 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -8.057 -0.452 1.580 2 HA2 GLY 1 2HA GLY 1 -7.506 -2.089 3.336 3 HA3 GLY 1 1HA GLY 1 -8.697 -3.148 2.587 4 H ARG 2 H ARG 2 -6.044 -1.168 1.323 5 HA ARG 2 HA ARG 2 -4.742 -3.592 0.407 6 HB2 ARG 2 2HB ARG 2 -6.165 -2.965 -1.485 7 HB3 ARG 2 1HB ARG 2 -5.529 -1.331 -1.446 8 HG2 ARG 2 2HG ARG 2 -4.566 -2.609 -3.278 9 HG3 ARG 2 1HG ARG 2 -3.334 -2.152 -2.107 10 HD2 ARG 2 2HD ARG 2 -3.021 -4.452 -2.869 11 HD3 ARG 2 1HD ARG 2 -3.391 -4.398 -1.154 12 HE ARG 2 HE ARG 2 -5.723 -4.976 -1.830 13 HH11 ARG 2 1HH1 ARG 2 -3.062 -5.884 -4.016 14 HH12 ARG 2 2HH1 ARG 2 -3.833 -7.280 -4.578 15 HH21 ARG 2 1HH2 ARG 2 -6.750 -6.863 -2.606 16 HH22 ARG 2 2HH2 ARG 2 -5.985 -7.862 -3.765 17 H ALA 3 H AZH 3 -2.921 -3.364 1.464 18 HA ALA 3 HA AZH 3 -1.523 -0.791 1.436 19 HB1 ALA 3 1HB AZH 3 -0.163 -2.195 3.239 20 HB2 ALA 3 2HB AZH 3 -1.687 -3.056 3.349 21 H TYR 4 H TYR 4 0.393 -0.644 0.482 22 HA TYR 4 HA TYR 4 1.402 -3.025 -0.839 23 HB2 TYR 4 2HB TYR 4 1.845 -0.086 -1.323 24 HB3 TYR 4 1HB TYR 4 2.857 -1.320 -2.071 25 HD1 TYR 4 1HD TYR 4 -0.676 -0.209 -1.741 26 HD2 TYR 4 2HD TYR 4 2.168 -2.392 -4.019 27 HE1 TYR 4 1HE TYR 4 -2.345 -0.538 -3.504 28 HE2 TYR 4 2HE TYR 4 0.516 -2.716 -5.788 29 HH TYR 4 HH TYR 4 -2.394 -1.015 -5.901 30 H LYS 5 H LYS 5 3.380 -3.809 -0.548 31 HA LYS 5 HA LYS 5 4.748 -2.910 1.839 32 HB2 LYS 5 2HB LYS 5 5.944 -5.101 1.605 33 HB3 LYS 5 1HB LYS 5 4.211 -5.236 1.861 34 HG2 LYS 5 2HG LYS 5 3.970 -5.564 -0.611 35 HG3 LYS 5 1HG LYS 5 5.731 -5.658 -0.708 36 HD2 LYS 5 2HD LYS 5 3.932 -7.466 0.917 37 HD3 LYS 5 1HD LYS 5 4.698 -7.890 -0.611 38 HE2 LYS 5 2HE LYS 5 6.886 -7.608 0.403 39 HE3 LYS 5 1HE LYS 5 6.119 -7.129 1.918 40 HZ1 LYS 5 1HZ LYS 5 6.822 -9.417 1.972 41 HZ2 LYS 5 2HZ LYS 5 5.869 -9.802 0.637 42 HZ3 LYS 5 3HZ LYS 5 5.151 -9.315 2.094 43 H SER 6 H SER 6 4.744 -1.925 -1.038 44 HA SER 6 HA SER 6 7.436 -1.955 -1.937 45 HB2 SER 6 2HB SER 6 5.121 -0.130 -2.591 46 HB3 SER 6 1HB SER 6 6.606 -0.290 -3.525 47 HG SER 6 HG SER 6 5.509 -1.682 -4.531 48 H LYS 7 H LYS 7 8.544 0.252 -2.226 49 HA LYS 7 HA LYS 7 8.339 1.779 0.252 50 HB2 LYS 7 2HB LYS 7 10.498 0.765 -0.028 51 HB3 LYS 7 1HB LYS 7 10.627 1.356 -1.676 52 HG2 LYS 7 2HG LYS 7 10.798 3.642 -0.871 53 HG3 LYS 7 1HG LYS 7 10.580 3.073 0.783 54 HD2 LYS 7 2HD LYS 7 12.857 2.185 -0.982 55 HD3 LYS 7 1HD LYS 7 12.960 3.567 0.107 56 HE2 LYS 7 2HE LYS 7 12.329 0.732 0.947 57 HE3 LYS 7 1HE LYS 7 13.909 1.495 1.070 58 HZ1 LYS 7 1HZ LYS 7 12.934 3.147 2.580 59 HZ2 LYS 7 2HZ LYS 7 12.744 1.593 3.173 60 HZ3 LYS 7 3HZ LYS 7 11.436 2.375 2.474 61 HA PRO 8 HA PRO 8 7.812 3.434 1.110 62 HB2 PRO 8 2HB PRO 8 6.033 5.386 1.485 63 HB3 PRO 8 1HB PRO 8 7.725 5.768 1.150 64 HG2 PRO 8 2HG PRO 8 5.379 5.797 -0.704 65 HG3 PRO 8 1HG PRO 8 6.686 6.982 -0.545 66 HD2 PRO 8 2HD PRO 8 6.611 5.023 -2.472 67 HD3 PRO 8 1HD PRO 8 8.100 5.772 -1.866 68 HA PRO 9 HA PRO 9 4.107 0.986 1.082 69 HB2 PRO 9 2HB PRO 9 3.241 1.282 3.675 70 HB3 PRO 9 1HB PRO 9 4.548 0.196 3.192 71 HG2 PRO 9 2HG PRO 9 4.689 2.909 4.415 72 HG3 PRO 9 1HG PRO 9 5.722 1.499 4.692 73 HD2 PRO 9 2HD PRO 9 6.449 3.611 3.134 74 HD3 PRO 9 1HD PRO 9 7.038 1.957 2.861 75 H ILE 10 H ILE 10 2.674 1.965 -0.199 76 HA ILE 10 HA ILE 10 1.037 4.113 0.908 77 HB ILE 10 HB ILE 10 1.962 4.589 -1.315 78 HG12 ILE 10 2HG1 ILE 10 -0.137 5.054 -2.590 79 HG13 ILE 10 1HG1 ILE 10 -1.017 4.069 -1.431 80 HG21 ILE 10 1HG2 ILE 10 2.303 2.365 -2.160 81 HG22 ILE 10 2HG2 ILE 10 1.343 3.299 -3.310 82 HG23 ILE 10 3HG2 ILE 10 0.562 2.106 -2.270 83 HD11 ILE 10 1HD1 ILE 10 0.474 6.613 -0.811 84 HD12 ILE 10 2HD1 ILE 10 -0.417 5.631 0.352 85 HD13 ILE 10 3HD1 ILE 10 -1.274 6.437 -0.960 86 H ALA 11 H PRG 11 -1.180 3.816 1.259 87 HA ALA 11 HA PRG 11 -2.143 1.109 0.738 88 HB1 ALA 11 1HB PRG 11 -3.232 1.028 2.881 89 HB2 ALA 11 2HB PRG 11 -2.805 2.686 3.234 90 H PHE 12 H PHE 12 -4.279 0.971 0.361 91 HA PHE 12 HA PHE 12 -5.719 3.465 -0.190 92 HB2 PHE 12 2HB PHE 12 -6.099 0.664 -1.292 93 HB3 PHE 12 1HB PHE 12 -7.204 1.994 -1.606 94 HD1 PHE 12 1HD PHE 12 -6.688 3.678 -3.199 95 HD2 PHE 12 2HD PHE 12 -3.808 0.705 -2.225 96 HE1 PHE 12 1HE PHE 12 -5.343 4.357 -5.130 97 HE2 PHE 12 2HE PHE 12 -2.449 1.396 -4.177 98 HZ PHE 12 HZ PHE 12 -3.223 3.209 -5.620 99 HA PRO 13 HA PRO 13 -7.998 2.587 3.469 100 HB2 PRO 13 2HB PRO 13 -10.287 4.009 2.900 101 HB3 PRO 13 1HB PRO 13 -8.791 4.709 3.521 102 HG2 PRO 13 2HG PRO 13 -9.799 4.604 0.706 103 HG3 PRO 13 1HG PRO 13 -8.966 5.917 1.548 104 HD2 PRO 13 2HD PRO 13 -7.720 4.312 -0.204 105 HD3 PRO 13 1HD PRO 13 -6.892 4.970 1.222 106 H ASP 14 H ASP 14 -8.989 1.495 0.490 107 HA ASP 14 HA ASP 14 -11.404 0.178 1.246 108 HB2 ASP 14 2HB ASP 14 -9.494 -0.292 -1.044 109 HB3 ASP 14 1HB ASP 14 -10.995 -1.184 -0.837 110 H1 WMH 101 1HG AZH 3 -1.844 -1.468 5.011 111 H2 WMH 101 2HG AZH 3 -2.757 -0.767 3.682 112 H5 WMH 101 HD PRG 11 -0.031 3.125 3.528 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -7.966 -0.504 1.641 2 HA2 GLY 1 2HA GLY 1 -7.477 -2.499 3.077 3 HA3 GLY 1 1HA GLY 1 -8.716 -3.308 2.132 4 H ARG 2 H ARG 2 -6.148 -1.111 1.059 5 HA ARG 2 HA ARG 2 -4.983 -3.352 -0.396 6 HB2 ARG 2 2HB ARG 2 -5.701 -0.696 -1.634 7 HB3 ARG 2 1HB ARG 2 -4.626 -1.860 -2.378 8 HG2 ARG 2 2HG ARG 2 -6.425 -3.472 -2.521 9 HG3 ARG 2 1HG ARG 2 -7.513 -2.355 -1.693 10 HD2 ARG 2 2HD ARG 2 -7.340 -0.776 -3.498 11 HD3 ARG 2 1HD ARG 2 -6.138 -1.773 -4.313 12 HE ARG 2 HE ARG 2 -8.140 -3.468 -4.164 13 HH11 ARG 2 1HH1 ARG 2 -8.243 -0.049 -5.069 14 HH12 ARG 2 2HH1 ARG 2 -9.506 -0.221 -6.180 15 HH21 ARG 2 1HH2 ARG 2 -9.865 -3.720 -5.739 16 HH22 ARG 2 2HH2 ARG 2 -10.460 -2.364 -6.567 17 H ALA 3 H AZH 3 -3.293 -3.433 0.909 18 HA ALA 3 HA AZH 3 -1.531 -1.106 1.006 19 HB1 ALA 3 1HB AZH 3 -0.394 -2.777 2.764 20 HB2 ALA 3 2HB AZH 3 -2.060 -3.325 2.886 21 H TYR 4 H TYR 4 0.421 -1.195 0.196 22 HA TYR 4 HA TYR 4 1.221 -3.690 -1.108 23 HB2 TYR 4 2HB TYR 4 1.963 -0.851 -1.879 24 HB3 TYR 4 1HB TYR 4 2.324 -2.318 -2.787 25 HD1 TYR 4 1HD TYR 4 -0.151 0.206 -2.046 26 HD2 TYR 4 2HD TYR 4 0.463 -3.553 -3.916 27 HE1 TYR 4 1HE TYR 4 -2.273 0.450 -3.178 28 HE2 TYR 4 2HE TYR 4 -1.680 -3.320 -5.085 29 HH TYR 4 HH TYR 4 -3.360 -0.453 -5.297 30 H LYS 5 H LYS 5 3.052 -4.526 -0.377 31 HA LYS 5 HA LYS 5 4.377 -3.073 1.711 32 HB2 LYS 5 2HB LYS 5 5.550 -5.172 2.251 33 HB3 LYS 5 1HB LYS 5 3.815 -5.401 2.182 34 HG2 LYS 5 2HG LYS 5 4.118 -6.355 -0.121 35 HG3 LYS 5 1HG LYS 5 5.853 -6.232 0.135 36 HD2 LYS 5 2HD LYS 5 5.484 -8.412 0.741 37 HD3 LYS 5 1HD LYS 5 5.346 -7.602 2.296 38 HE2 LYS 5 2HE LYS 5 3.058 -8.473 0.517 39 HE3 LYS 5 1HE LYS 5 3.578 -9.278 1.985 40 HZ1 LYS 5 1HZ LYS 5 1.647 -7.988 2.390 41 HZ2 LYS 5 2HZ LYS 5 2.287 -6.601 1.764 42 HZ3 LYS 5 3HZ LYS 5 2.895 -7.234 3.220 43 H SER 6 H SER 6 5.078 -1.492 0.236 44 HA SER 6 HA SER 6 7.795 -1.961 -0.587 45 HB2 SER 6 2HB SER 6 5.681 -0.848 -2.458 46 HB3 SER 6 1HB SER 6 7.416 -0.893 -2.789 47 HG SER 6 HG SER 6 6.538 -3.287 -1.993 48 H LYS 7 H LYS 7 8.899 0.137 -0.854 49 HA LYS 7 HA LYS 7 7.512 2.254 0.617 50 HB2 LYS 7 2HB LYS 7 9.814 3.017 1.323 51 HB3 LYS 7 1HB LYS 7 9.315 1.466 1.978 52 HG2 LYS 7 2HG LYS 7 10.679 0.334 0.270 53 HG3 LYS 7 1HG LYS 7 11.213 1.905 -0.328 54 HD2 LYS 7 2HD LYS 7 12.900 0.954 1.127 55 HD3 LYS 7 1HD LYS 7 12.193 2.370 1.897 56 HE2 LYS 7 2HE LYS 7 12.503 0.552 3.503 57 HE3 LYS 7 1HE LYS 7 10.795 0.908 3.296 58 HZ1 LYS 7 1HZ LYS 7 10.604 -1.037 1.855 59 HZ2 LYS 7 2HZ LYS 7 11.252 -1.483 3.327 60 HZ3 LYS 7 3HZ LYS 7 12.248 -1.340 1.990 61 HA PRO 8 HA PRO 8 7.561 4.536 0.942 62 HB2 PRO 8 2HB PRO 8 5.684 6.056 -0.722 63 HB3 PRO 8 1HB PRO 8 6.856 6.653 0.453 64 HG2 PRO 8 2HG PRO 8 7.156 7.024 -2.203 65 HG3 PRO 8 1HG PRO 8 8.531 6.820 -1.107 66 HD2 PRO 8 2HD PRO 8 7.261 4.825 -2.947 67 HD3 PRO 8 1HD PRO 8 8.981 5.113 -2.622 68 HA PRO 9 HA PRO 9 4.261 1.609 0.970 69 HB2 PRO 9 2HB PRO 9 3.122 2.301 3.359 70 HB3 PRO 9 1HB PRO 9 4.595 1.338 3.214 71 HG2 PRO 9 2HG PRO 9 4.285 4.247 3.792 72 HG3 PRO 9 1HG PRO 9 5.412 3.079 4.503 73 HD2 PRO 9 2HD PRO 9 6.150 4.840 2.594 74 HD3 PRO 9 1HD PRO 9 6.873 3.223 2.733 75 H ILE 10 H ILE 10 2.539 1.737 -0.217 76 HA ILE 10 HA ILE 10 0.788 4.074 0.002 77 HB ILE 10 HB ILE 10 1.148 2.120 -2.296 78 HG12 ILE 10 2HG1 ILE 10 3.027 3.651 -2.132 79 HG13 ILE 10 1HG1 ILE 10 2.050 4.053 -3.540 80 HG21 ILE 10 1HG2 ILE 10 -0.622 4.553 -2.157 81 HG22 ILE 10 2HG2 ILE 10 -1.163 2.875 -2.161 82 HG23 ILE 10 3HG2 ILE 10 -0.363 3.547 -3.582 83 HD11 ILE 10 1HD1 ILE 10 1.050 5.913 -2.285 84 HD12 ILE 10 2HD1 ILE 10 2.806 6.045 -2.396 85 HD13 ILE 10 3HD1 ILE 10 2.061 5.505 -0.896 86 H ALA 11 H PRG 11 -1.076 3.693 0.976 87 HA ALA 11 HA PRG 11 -2.205 1.013 0.809 88 HB1 ALA 11 1HB PRG 11 -2.936 1.109 3.171 89 HB2 ALA 11 2HB PRG 11 -2.074 2.620 3.376 90 H PHE 12 H PHE 12 -4.082 1.159 0.013 91 HA PHE 12 HA PHE 12 -5.557 3.646 0.207 92 HB2 PHE 12 2HB PHE 12 -6.207 1.102 -1.318 93 HB3 PHE 12 1HB PHE 12 -7.174 2.564 -1.347 94 HD1 PHE 12 1HD PHE 12 -4.237 0.917 -2.653 95 HD2 PHE 12 2HD PHE 12 -6.274 4.625 -2.337 96 HE1 PHE 12 1HE PHE 12 -2.865 1.838 -4.506 97 HE2 PHE 12 2HE PHE 12 -4.924 5.536 -4.170 98 HZ PHE 12 HZ PHE 12 -3.215 4.139 -5.251 99 HA PRO 13 HA PRO 13 -7.428 2.452 3.964 100 HB2 PRO 13 2HB PRO 13 -9.835 3.802 3.640 101 HB3 PRO 13 1HB PRO 13 -8.333 4.504 4.247 102 HG2 PRO 13 2HG PRO 13 -9.476 4.575 1.488 103 HG3 PRO 13 1HG PRO 13 -8.668 5.865 2.397 104 HD2 PRO 13 2HD PRO 13 -7.392 4.548 0.487 105 HD3 PRO 13 1HD PRO 13 -6.549 4.979 1.994 106 H ASP 14 H ASP 14 -8.989 1.776 1.001 107 HA ASP 14 HA ASP 14 -11.267 0.381 1.948 108 HB2 ASP 14 2HB ASP 14 -9.836 0.155 -0.696 109 HB3 ASP 14 1HB ASP 14 -11.417 -0.533 -0.338 110 H1 WMH 101 1HG AZH 3 -1.854 -1.765 4.567 111 H2 WMH 101 2HG AZH 3 -2.667 -0.896 3.268 112 H5 WMH 101 HD PRG 11 0.668 2.508 3.230
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