NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586798 | 2mk7 | 19759 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ACE 1 H1 ACE 1 -2.866 -22.268 6.851 2 H2 ACE 1 H2 ACE 1 -3.069 -23.045 8.421 3 H3 ACE 1 H3 ACE 1 -3.139 -24.007 6.944 4 HA PRO 2 HA PRO 2 1.109 -25.049 6.826 5 HB2 PRO 2 HB2 PRO 2 1.901 -23.451 4.564 6 HB3 PRO 2 HB3 PRO 2 1.569 -25.189 4.614 7 HG2 PRO 2 HG2 PRO 2 -0.125 -22.996 3.692 8 HG3 PRO 2 HG3 PRO 2 -0.238 -24.729 3.357 9 HD2 PRO 2 HD2 PRO 2 -2.017 -23.395 4.957 10 HD3 PRO 2 HD3 PRO 2 -1.635 -25.120 5.156 11 HA PRO 3 HA PRO 3 3.654 -22.204 8.984 12 HB2 PRO 3 HB2 PRO 3 5.880 -22.213 7.156 13 HB3 PRO 3 HB3 PRO 3 5.725 -23.071 8.696 14 HG2 PRO 3 HG2 PRO 3 5.391 -24.064 5.970 15 HG3 PRO 3 HG3 PRO 3 5.676 -24.956 7.471 16 HD2 PRO 3 HD2 PRO 3 3.282 -24.992 6.139 17 HD3 PRO 3 HD3 PRO 3 3.420 -25.220 7.898 18 H THR 4 H THR 4 2.905 -20.148 8.907 19 HA THR 4 HA THR 4 3.054 -18.634 6.400 20 HB THR 4 HB THR 4 1.657 -16.981 7.574 21 HG21 THR 4 HG21 THR 4 -0.296 -18.223 7.443 22 HG22 THR 4 HG22 THR 4 0.411 -19.613 8.267 23 HG23 THR 4 HG23 THR 4 0.809 -19.292 6.579 24 H THR 5 H THR 5 3.741 -16.310 6.591 25 HA THR 5 HA THR 5 5.908 -15.945 8.560 26 HB THR 5 HB THR 5 7.400 -15.109 6.843 27 HG21 THR 5 HG21 THR 5 6.424 -17.531 5.442 28 HG22 THR 5 HG22 THR 5 6.755 -17.728 7.163 29 HG23 THR 5 HG23 THR 5 8.028 -17.169 6.079 30 H THR 6 H THR 6 6.185 -13.869 9.290 31 HA THR 6 HA THR 6 4.128 -11.935 8.441 32 HB THR 6 HB THR 6 4.420 -10.887 10.601 33 HG21 THR 6 HG21 THR 6 3.230 -13.239 10.287 34 HG22 THR 6 HG22 THR 6 3.435 -12.541 11.894 35 HG23 THR 6 HG23 THR 6 4.545 -13.788 11.326 36 H THR 7 H THR 7 4.697 -9.734 8.118 37 HA THR 7 HA THR 7 7.463 -9.398 7.169 38 HB THR 7 HB THR 7 6.588 -7.503 5.882 39 HG21 THR 7 HG21 THR 7 5.510 -8.780 4.270 40 HG22 THR 7 HG22 THR 7 4.544 -9.652 5.460 41 HG23 THR 7 HG23 THR 7 6.248 -10.052 5.242 42 H LYS 8 H LYS 8 8.767 -7.741 7.877 43 HA LYS 8 HA LYS 8 8.150 -6.668 10.492 44 HB2 LYS 8 HB2 LYS 8 10.421 -7.445 9.963 45 HB3 LYS 8 HB3 LYS 8 10.547 -6.226 8.695 46 HG2 LYS 8 HG2 LYS 8 11.041 -4.603 10.182 47 HG3 LYS 8 HG3 LYS 8 9.699 -5.063 11.230 48 HD2 LYS 8 HD2 LYS 8 11.882 -5.339 12.373 49 HD3 LYS 8 HD3 LYS 8 11.046 -6.881 12.187 50 HE2 LYS 8 HE2 LYS 8 12.657 -7.711 10.833 51 HE3 LYS 8 HE3 LYS 8 12.742 -6.223 9.890 52 HZ1 LYS 8 HZ1 LYS 8 14.437 -5.455 11.106 53 HZ2 LYS 8 HZ2 LYS 8 14.651 -7.074 11.576 54 HZ3 LYS 8 HZ3 LYS 8 13.785 -6.004 12.572 55 H LYS 9 H LYS 9 7.243 -4.759 10.894 56 HA LYS 9 HA LYS 9 6.341 -3.028 8.852 57 HB2 LYS 9 HB2 LYS 9 5.358 -3.251 11.164 58 HB3 LYS 9 HB3 LYS 9 6.726 -2.314 11.765 59 HG2 LYS 9 HG2 LYS 9 6.108 -0.520 10.086 60 HG3 LYS 9 HG3 LYS 9 4.626 -1.425 9.773 61 HD2 LYS 9 HD2 LYS 9 4.023 -1.264 12.163 62 HD3 LYS 9 HD3 LYS 9 5.498 -0.348 12.471 63 HE2 LYS 9 HE2 LYS 9 4.554 1.565 11.745 64 HE3 LYS 9 HE3 LYS 9 4.003 0.794 10.257 65 HZ1 LYS 9 HZ1 LYS 9 2.581 1.259 12.734 66 HZ2 LYS 9 HZ2 LYS 9 2.347 -0.282 12.057 67 HZ3 LYS 9 HZ3 LYS 9 1.988 1.111 11.152 68 HA PRO 10 HA PRO 10 9.968 -0.828 7.664 69 HB2 PRO 10 HB2 PRO 10 8.484 1.629 7.428 70 HB3 PRO 10 HB3 PRO 10 9.025 0.549 6.134 71 HG2 PRO 10 HG2 PRO 10 6.390 0.804 7.365 72 HG3 PRO 10 HG3 PRO 10 6.850 0.077 5.819 73 HD2 PRO 10 HD2 PRO 10 6.020 -1.394 7.975 74 HD3 PRO 10 HD3 PRO 10 7.132 -2.024 6.738 75 HN1 NH2 11 HN1 NH2 11 7.830 0.828 10.150 76 HN2 NH2 11 HN2 NH2 11 9.125 0.701 11.240 77 H1 A2G 101 H1 A2G 12 2.685 -16.090 9.424 78 H2 A2G 101 H2 A2G 12 2.164 -15.684 11.791 79 HN2 A2G 101 HN2 A2G 12 3.428 -18.331 11.388 80 H3 A2G 101 H3 A2G 12 0.883 -18.429 11.724 81 HO3 A2G 101 HO3 A2G 12 1.841 -16.848 13.666 82 H4 A2G 101 H4 A2G 12 -1.234 -17.272 12.019 83 HO4 A2G 101 HO4 A2G 12 -0.275 -14.769 11.496 84 H5 A2G 101 H5 A2G 12 -0.501 -17.602 9.699 85 H6 A2G 101 H6 A2G 12 -1.559 -14.778 9.855 86 H8 A2G 101 H8 A2G 12 5.429 -18.408 13.249 87 H8A A2G 101 H8A A2G 12 6.405 -17.001 12.828 88 H8B A2G 101 H8B A2G 12 5.858 -18.104 11.566 89 H14 A2G 101 H14 A2G 12 -1.953 -16.034 8.681 90 H15 A2G 101 H15 A2G 12 -2.705 -17.181 10.727 91 H1 A2G 102 H1 A2G 13 6.500 -13.225 5.769 92 H2 A2G 102 H2 A2G 13 6.320 -12.471 3.437 93 HN2 A2G 102 HN2 A2G 13 3.924 -13.986 4.292 94 H3 A2G 102 H3 A2G 13 5.552 -15.339 2.829 95 HO3 A2G 102 HO3 A2G 13 4.683 -14.338 1.211 96 H4 A2G 102 H4 A2G 13 7.669 -15.486 1.645 97 HO4 A2G 102 HO4 A2G 13 7.598 -12.779 2.056 98 H5 A2G 102 H5 A2G 13 7.730 -16.050 4.033 99 H6 A2G 102 H6 A2G 13 10.152 -14.366 3.324 100 H8 A2G 102 H8 A2G 13 1.858 -12.083 3.244 101 H8A A2G 102 H8A A2G 13 2.159 -11.002 4.604 102 H8B A2G 102 H8B A2G 13 2.129 -12.747 4.855 103 H14 A2G 102 H14 A2G 13 10.104 -15.753 4.413 104 H15 A2G 102 H15 A2G 13 9.619 -15.750 1.620 105 H1 A2G 103 H1 A2G 14 6.568 -9.971 10.697 106 H2 A2G 103 H2 A2G 14 8.381 -9.863 12.353 107 HN2 A2G 103 HN2 A2G 14 8.662 -12.202 10.557 108 H3 A2G 103 H3 A2G 14 7.741 -12.777 12.886 109 HO3 A2G 103 HO3 A2G 14 9.376 -11.151 14.459 110 H4 A2G 103 H4 A2G 14 6.939 -12.051 15.057 111 HO4 A2G 103 HO4 A2G 14 7.396 -10.147 15.795 112 H5 A2G 103 H5 A2G 14 5.264 -12.022 13.267 113 H6 A2G 103 H6 A2G 14 4.686 -9.422 14.594 114 H8 A2G 103 H8 A2G 14 11.472 -11.904 9.768 115 H8A A2G 103 H8A A2G 14 11.152 -10.465 8.799 116 H8B A2G 103 H8B A2G 14 10.029 -11.825 8.757 117 H14 A2G 103 H14 A2G 14 3.691 -10.875 14.486 118 H15 A2G 103 H15 A2G 14 4.361 -11.306 16.410 119 H1 A2G 104 H1 A2G 15 5.742 -5.897 7.342 120 H2 A2G 104 H2 A2G 15 3.722 -4.504 7.488 121 HN2 A2G 104 HN2 A2G 15 3.401 -7.064 8.941 122 H3 A2G 104 H3 A2G 15 2.231 -7.008 6.658 123 HO3 A2G 104 HO3 A2G 15 1.122 -5.603 8.062 124 H4 A2G 104 H4 A2G 15 1.769 -5.863 4.569 125 HO4 A2G 104 HO4 A2G 15 3.353 -3.820 4.551 126 H5 A2G 104 H5 A2G 15 3.864 -7.136 4.613 127 H6 A2G 104 H6 A2G 15 4.966 -4.806 3.249 128 H8 A2G 104 H8 A2G 15 2.472 -5.755 11.670 129 H8A A2G 104 H8A A2G 15 4.215 -5.564 11.857 130 H8B A2G 104 H8B A2G 15 3.563 -7.022 11.109 131 H14 A2G 104 H14 A2G 15 4.421 -6.340 2.571 132 H15 A2G 104 H15 A2G 15 2.876 -5.127 1.817 Start of MODEL 2 1 H1 ACE 1 H1 ACE 1 1.605 -25.465 2.756 2 H2 ACE 1 H2 ACE 1 3.111 -25.027 3.564 3 H3 ACE 1 H3 ACE 1 2.381 -23.923 2.397 4 HA PRO 2 HA PRO 2 -0.966 -23.999 5.979 5 HB2 PRO 2 HB2 PRO 2 0.354 -25.242 8.217 6 HB3 PRO 2 HB3 PRO 2 -1.124 -25.759 7.392 7 HG2 PRO 2 HG2 PRO 2 1.605 -26.761 7.123 8 HG3 PRO 2 HG3 PRO 2 0.074 -27.519 6.667 9 HD2 PRO 2 HD2 PRO 2 1.876 -26.572 4.837 10 HD3 PRO 2 HD3 PRO 2 0.127 -26.650 4.528 11 HA PRO 3 HA PRO 3 2.407 -22.160 9.143 12 HB2 PRO 3 HB2 PRO 3 4.753 -21.952 7.484 13 HB3 PRO 3 HB3 PRO 3 4.563 -22.836 9.006 14 HG2 PRO 3 HG2 PRO 3 4.521 -23.828 6.260 15 HG3 PRO 3 HG3 PRO 3 4.773 -24.706 7.776 16 HD2 PRO 3 HD2 PRO 3 2.496 -24.943 6.270 17 HD3 PRO 3 HD3 PRO 3 2.525 -25.174 8.034 18 H THR 4 H THR 4 3.323 -19.937 9.048 19 HA THR 4 HA THR 4 2.817 -18.483 6.551 20 HB THR 4 HB THR 4 1.443 -16.800 7.713 21 HG21 THR 4 HG21 THR 4 0.521 -19.020 6.668 22 HG22 THR 4 HG22 THR 4 -0.553 -18.020 7.646 23 HG23 THR 4 HG23 THR 4 0.191 -19.459 8.343 24 H THR 5 H THR 5 3.558 -16.182 6.734 25 HA THR 5 HA THR 5 5.705 -15.850 8.730 26 HB THR 5 HB THR 5 7.235 -15.053 7.022 27 HG21 THR 5 HG21 THR 5 6.242 -17.482 5.647 28 HG22 THR 5 HG22 THR 5 6.546 -17.657 7.375 29 HG23 THR 5 HG23 THR 5 7.843 -17.133 6.300 30 H THR 6 H THR 6 6.088 -13.746 9.384 31 HA THR 6 HA THR 6 4.040 -11.794 8.554 32 HB THR 6 HB THR 6 4.433 -10.695 10.678 33 HG21 THR 6 HG21 THR 6 4.493 -13.577 11.477 34 HG22 THR 6 HG22 THR 6 3.171 -13.024 10.450 35 HG23 THR 6 HG23 THR 6 3.428 -12.285 12.030 36 H THR 7 H THR 7 4.653 -9.589 8.221 37 HA THR 7 HA THR 7 7.373 -9.339 7.124 38 HB THR 7 HB THR 7 6.478 -7.389 5.908 39 HG21 THR 7 HG21 THR 7 5.320 -8.634 4.318 40 HG22 THR 7 HG22 THR 7 4.427 -9.546 5.536 41 HG23 THR 7 HG23 THR 7 6.123 -9.916 5.225 42 H LYS 8 H LYS 8 8.764 -7.723 7.759 43 HA LYS 8 HA LYS 8 8.323 -6.632 10.402 44 HB2 LYS 8 HB2 LYS 8 10.537 -7.377 9.984 45 HB3 LYS 8 HB3 LYS 8 10.619 -6.514 8.448 46 HG2 LYS 8 HG2 LYS 8 10.883 -4.438 9.473 47 HG3 LYS 8 HG3 LYS 8 10.124 -4.970 10.974 48 HD2 LYS 8 HD2 LYS 8 12.063 -6.330 11.529 49 HD3 LYS 8 HD3 LYS 8 12.810 -5.959 9.975 50 HE2 LYS 8 HE2 LYS 8 13.661 -4.578 11.929 51 HE3 LYS 8 HE3 LYS 8 13.066 -3.642 10.558 52 HZ1 LYS 8 HZ1 LYS 8 11.334 -2.868 11.726 53 HZ2 LYS 8 HZ2 LYS 8 12.275 -3.274 13.082 54 HZ3 LYS 8 HZ3 LYS 8 11.069 -4.337 12.533 55 H LYS 9 H LYS 9 8.173 -4.461 10.957 56 HA LYS 9 HA LYS 9 6.737 -2.784 9.193 57 HB2 LYS 9 HB2 LYS 9 8.163 -2.259 11.801 58 HB3 LYS 9 HB3 LYS 9 7.268 -1.007 10.941 59 HG2 LYS 9 HG2 LYS 9 5.739 -3.482 11.160 60 HG3 LYS 9 HG3 LYS 9 6.191 -2.843 12.741 61 HD2 LYS 9 HD2 LYS 9 5.280 -0.631 12.096 62 HD3 LYS 9 HD3 LYS 9 4.795 -1.297 10.536 63 HE2 LYS 9 HE2 LYS 9 2.922 -2.179 11.424 64 HE3 LYS 9 HE3 LYS 9 3.846 -2.980 12.694 65 HZ1 LYS 9 HZ1 LYS 9 2.445 -1.496 13.801 66 HZ2 LYS 9 HZ2 LYS 9 2.728 -0.243 12.688 67 HZ3 LYS 9 HZ3 LYS 9 3.947 -0.709 13.776 68 HA PRO 10 HA PRO 10 9.592 -0.792 6.553 69 HB2 PRO 10 HB2 PRO 10 8.887 1.884 7.356 70 HB3 PRO 10 HB3 PRO 10 8.385 1.009 5.901 71 HG2 PRO 10 HG2 PRO 10 6.932 1.467 8.393 72 HG3 PRO 10 HG3 PRO 10 6.323 0.999 6.799 73 HD2 PRO 10 HD2 PRO 10 6.381 -0.709 8.939 74 HD3 PRO 10 HD3 PRO 10 6.490 -1.261 7.251 75 HN1 NH2 11 HN1 NH2 11 11.991 -0.279 7.031 76 HN2 NH2 11 HN2 NH2 11 12.122 1.236 7.784 77 H1 A2G 101 H1 A2G 12 2.411 -15.903 9.548 78 H2 A2G 101 H2 A2G 12 1.944 -15.510 11.928 79 HN2 A2G 101 HN2 A2G 12 3.236 -18.136 11.479 80 H3 A2G 101 H3 A2G 12 0.706 -18.275 11.895 81 HO3 A2G 101 HO3 A2G 12 1.788 -16.885 13.800 82 H4 A2G 101 H4 A2G 12 -1.426 -17.165 12.224 83 HO4 A2G 101 HO4 A2G 12 -0.667 -14.636 11.699 84 H5 A2G 101 H5 A2G 12 -0.752 -17.452 9.884 85 H6 A2G 101 H6 A2G 12 -1.947 -14.703 10.370 86 H8 A2G 101 H8 A2G 12 5.104 -18.368 13.173 87 H8A A2G 101 H8A A2G 12 6.086 -16.904 13.252 88 H8B A2G 101 H8B A2G 12 5.830 -17.713 11.705 89 H14 A2G 101 H14 A2G 12 -2.079 -15.636 8.879 90 H15 A2G 101 H15 A2G 12 -3.606 -15.765 11.037 91 H1 A2G 102 H1 A2G 13 6.378 -13.172 5.907 92 H2 A2G 102 H2 A2G 13 6.239 -12.453 3.562 93 HN2 A2G 102 HN2 A2G 13 3.807 -13.923 4.395 94 H3 A2G 102 H3 A2G 13 5.436 -15.319 2.989 95 HO3 A2G 102 HO3 A2G 13 4.494 -13.724 1.657 96 H4 A2G 102 H4 A2G 13 7.566 -15.516 1.835 97 HO4 A2G 102 HO4 A2G 13 8.567 -13.145 2.811 98 H5 A2G 102 H5 A2G 13 7.588 -16.043 4.233 99 H6 A2G 102 H6 A2G 13 10.032 -14.421 3.449 100 H8 A2G 102 H8 A2G 13 1.754 -12.208 3.495 101 H8A A2G 102 H8A A2G 13 2.092 -10.823 4.533 102 H8B A2G 102 H8B A2G 13 2.126 -12.454 5.201 103 H14 A2G 102 H14 A2G 13 9.975 -15.696 4.666 104 H15 A2G 102 H15 A2G 13 9.396 -17.149 3.010 105 H1 A2G 103 H1 A2G 14 6.614 -9.845 10.690 106 H2 A2G 103 H2 A2G 14 8.466 -9.757 12.304 107 HN2 A2G 103 HN2 A2G 14 8.636 -12.153 10.572 108 H3 A2G 103 H3 A2G 14 7.729 -12.629 12.929 109 HO3 A2G 103 HO3 A2G 14 9.975 -11.341 13.126 110 H4 A2G 103 H4 A2G 14 7.020 -11.807 15.103 111 HO4 A2G 103 HO4 A2G 14 7.821 -9.991 15.728 112 H5 A2G 103 H5 A2G 14 5.314 -11.795 13.338 113 H6 A2G 103 H6 A2G 14 4.780 -9.152 14.572 114 H8 A2G 103 H8 A2G 14 11.484 -11.954 9.806 115 H8A A2G 103 H8A A2G 14 11.169 -10.594 8.728 116 H8B A2G 103 H8B A2G 14 10.041 -11.949 8.792 117 H14 A2G 103 H14 A2G 14 3.801 -10.620 14.591 118 H15 A2G 103 H15 A2G 14 5.427 -11.468 16.068 119 H1 A2G 104 H1 A2G 15 5.685 -5.811 7.433 120 H2 A2G 104 H2 A2G 15 3.677 -4.417 7.674 121 HN2 A2G 104 HN2 A2G 15 3.393 -7.011 9.076 122 H3 A2G 104 H3 A2G 15 2.157 -6.896 6.822 123 HO3 A2G 104 HO3 A2G 15 0.403 -5.466 6.942 124 H4 A2G 104 H4 A2G 15 1.627 -5.677 4.788 125 HO4 A2G 104 HO4 A2G 15 2.868 -3.649 4.504 126 H5 A2G 104 H5 A2G 15 3.704 -6.986 4.749 127 H6 A2G 104 H6 A2G 15 4.355 -4.348 3.436 128 H8 A2G 104 H8 A2G 15 2.446 -6.284 11.567 129 H8A A2G 104 H8A A2G 15 3.759 -5.265 12.156 130 H8B A2G 104 H8B A2G 15 4.121 -6.805 11.377 131 H14 A2G 104 H14 A2G 15 4.676 -5.977 2.844 132 H15 A2G 104 H15 A2G 15 2.825 -5.901 1.901 Start of MODEL 3 1 H1 ACE 1 H1 ACE 1 -0.758 -24.253 5.132 2 H2 ACE 1 H2 ACE 1 -1.774 -22.826 4.927 3 H3 ACE 1 H3 ACE 1 -2.168 -24.018 6.166 4 HA PRO 2 HA PRO 2 0.071 -22.120 9.410 5 HB2 PRO 2 HB2 PRO 2 2.210 -24.033 9.660 6 HB3 PRO 2 HB3 PRO 2 0.770 -23.863 10.675 7 HG2 PRO 2 HG2 PRO 2 1.314 -25.755 8.519 8 HG3 PRO 2 HG3 PRO 2 0.112 -25.833 9.815 9 HD2 PRO 2 HD2 PRO 2 -0.540 -25.391 7.191 10 HD3 PRO 2 HD3 PRO 2 -1.512 -24.781 8.550 11 HA PRO 3 HA PRO 3 4.665 -22.064 7.497 12 HB2 PRO 3 HB2 PRO 3 4.167 -22.525 4.697 13 HB3 PRO 3 HB3 PRO 3 5.191 -23.461 5.796 14 HG2 PRO 3 HG2 PRO 3 2.483 -24.012 4.851 15 HG3 PRO 3 HG3 PRO 3 3.674 -25.106 5.569 16 HD2 PRO 3 HD2 PRO 3 1.406 -24.299 6.875 17 HD3 PRO 3 HD3 PRO 3 2.906 -24.745 7.718 18 H THR 4 H THR 4 4.163 -19.875 7.992 19 HA THR 4 HA THR 4 3.692 -18.223 5.619 20 HB THR 4 HB THR 4 2.077 -16.801 6.878 21 HG21 THR 4 HG21 THR 4 0.229 -18.119 6.337 22 HG22 THR 4 HG22 THR 4 0.996 -19.601 6.906 23 HG23 THR 4 HG23 THR 4 1.496 -18.881 5.376 24 H THR 5 H THR 5 4.607 -16.164 5.744 25 HA THR 5 HA THR 5 6.520 -15.823 7.965 26 HB THR 5 HB THR 5 7.773 -14.376 6.422 27 HG21 THR 5 HG21 THR 5 7.216 -16.685 4.656 28 HG22 THR 5 HG22 THR 5 7.615 -17.095 6.323 29 HG23 THR 5 HG23 THR 5 8.743 -16.145 5.356 30 H THR 6 H THR 6 6.583 -13.956 9.150 31 HA THR 6 HA THR 6 4.296 -12.128 8.785 32 HB THR 6 HB THR 6 4.523 -11.585 11.122 33 HG21 THR 6 HG21 THR 6 5.049 -14.545 11.084 34 HG22 THR 6 HG22 THR 6 3.586 -13.903 10.335 35 HG23 THR 6 HG23 THR 6 3.887 -13.637 12.053 36 H THR 7 H THR 7 4.582 -9.946 8.578 37 HA THR 7 HA THR 7 7.336 -9.059 8.033 38 HB THR 7 HB THR 7 6.333 -7.244 6.776 39 HG21 THR 7 HG21 THR 7 5.545 -8.502 4.988 40 HG22 THR 7 HG22 THR 7 4.603 -9.573 6.025 41 HG23 THR 7 HG23 THR 7 6.355 -9.752 5.933 42 H LYS 8 H LYS 8 7.704 -6.665 8.563 43 HA LYS 8 HA LYS 8 6.309 -5.634 10.877 44 HB2 LYS 8 HB2 LYS 8 7.687 -7.132 12.102 45 HB3 LYS 8 HB3 LYS 8 9.098 -6.763 11.110 46 HG2 LYS 8 HG2 LYS 8 9.468 -4.726 12.147 47 HG3 LYS 8 HG3 LYS 8 7.770 -4.516 12.574 48 HD2 LYS 8 HD2 LYS 8 7.923 -6.076 14.371 49 HD3 LYS 8 HD3 LYS 8 9.486 -6.675 13.813 50 HE2 LYS 8 HE2 LYS 8 9.270 -4.867 15.791 51 HE3 LYS 8 HE3 LYS 8 10.639 -4.886 14.679 52 HZ1 LYS 8 HZ1 LYS 8 8.190 -3.365 14.050 53 HZ2 LYS 8 HZ2 LYS 8 9.760 -3.157 13.435 54 HZ3 LYS 8 HZ3 LYS 8 9.401 -2.696 15.031 55 H LYS 9 H LYS 9 6.116 -3.565 10.315 56 HA LYS 9 HA LYS 9 6.635 -1.685 8.942 57 HB2 LYS 9 HB2 LYS 9 7.070 -1.368 11.456 58 HB3 LYS 9 HB3 LYS 9 8.781 -1.516 11.051 59 HG2 LYS 9 HG2 LYS 9 8.563 0.762 10.799 60 HG3 LYS 9 HG3 LYS 9 8.082 0.268 9.175 61 HD2 LYS 9 HD2 LYS 9 5.684 0.137 10.143 62 HD3 LYS 9 HD3 LYS 9 6.324 1.087 11.485 63 HE2 LYS 9 HE2 LYS 9 6.375 1.861 8.553 64 HE3 LYS 9 HE3 LYS 9 5.377 2.592 9.811 65 HZ1 LYS 9 HZ1 LYS 9 8.040 3.186 9.109 66 HZ2 LYS 9 HZ2 LYS 9 8.002 2.639 10.717 67 HZ3 LYS 9 HZ3 LYS 9 7.044 3.960 10.242 68 HA PRO 10 HA PRO 10 10.357 -3.414 6.802 69 HB2 PRO 10 HB2 PRO 10 8.871 -3.320 4.334 70 HB3 PRO 10 HB3 PRO 10 9.453 -4.744 5.209 71 HG2 PRO 10 HG2 PRO 10 6.806 -4.017 4.901 72 HG3 PRO 10 HG3 PRO 10 7.433 -5.137 6.118 73 HD2 PRO 10 HD2 PRO 10 6.601 -2.291 6.431 74 HD3 PRO 10 HD3 PRO 10 6.550 -3.622 7.610 75 HN1 NH2 11 HN1 NH2 11 10.418 0.113 6.657 76 HN2 NH2 11 HN2 NH2 11 8.757 -0.218 6.546 77 H1 A2G 101 H1 A2G 12 2.687 -16.155 8.940 78 H2 A2G 101 H2 A2G 12 1.915 -16.243 11.271 79 HN2 A2G 101 HN2 A2G 12 3.559 -18.607 10.577 80 H3 A2G 101 H3 A2G 12 1.033 -19.067 10.613 81 HO3 A2G 101 HO3 A2G 12 0.051 -18.039 12.859 82 H4 A2G 101 H4 A2G 12 -1.239 -18.244 10.864 83 HO4 A2G 101 HO4 A2G 12 -0.742 -16.598 12.375 84 H5 A2G 101 H5 A2G 12 -0.272 -18.064 8.615 85 H6 A2G 101 H6 A2G 12 -1.577 -15.423 8.735 86 H8 A2G 101 H8 A2G 12 5.340 -18.584 12.957 87 H8A A2G 101 H8A A2G 12 6.254 -17.219 12.312 88 H8B A2G 101 H8B A2G 12 5.726 -18.514 11.236 89 H14 A2G 101 H14 A2G 12 -2.042 -16.865 7.833 90 H15 A2G 101 H15 A2G 12 -3.583 -16.666 9.346 91 H1 A2G 102 H1 A2G 13 6.505 -12.555 5.671 92 H2 A2G 102 H2 A2G 13 6.084 -11.498 3.491 93 HN2 A2G 102 HN2 A2G 13 4.038 -13.541 4.129 94 H3 A2G 102 H3 A2G 13 5.803 -14.328 2.448 95 HO3 A2G 102 HO3 A2G 13 5.809 -11.816 1.136 96 H4 A2G 102 H4 A2G 13 7.860 -13.924 1.225 97 HO4 A2G 102 HO4 A2G 13 8.916 -11.989 1.366 98 H5 A2G 102 H5 A2G 13 8.157 -14.801 3.495 99 H6 A2G 102 H6 A2G 13 10.281 -12.763 3.567 100 H8 A2G 102 H8 A2G 13 1.576 -11.806 3.604 101 H8A A2G 102 H8A A2G 13 1.886 -11.054 5.168 102 H8B A2G 102 H8B A2G 13 2.124 -12.789 4.961 103 H14 A2G 102 H14 A2G 13 10.412 -14.516 3.431 104 H15 A2G 102 H15 A2G 13 10.198 -14.393 1.286 105 H1 A2G 103 H1 A2G 14 6.499 -10.423 11.406 106 H2 A2G 103 H2 A2G 14 8.395 -10.410 12.971 107 HN2 A2G 103 HN2 A2G 14 8.882 -12.219 10.678 108 H3 A2G 103 H3 A2G 14 8.214 -13.432 12.834 109 HO3 A2G 103 HO3 A2G 14 9.986 -11.561 13.906 110 H4 A2G 103 H4 A2G 14 7.479 -13.344 15.144 111 HO4 A2G 103 HO4 A2G 14 7.791 -11.625 16.280 112 H5 A2G 103 H5 A2G 14 5.688 -13.172 13.479 113 H6 A2G 103 H6 A2G 14 4.676 -11.082 15.256 114 H8 A2G 103 H8 A2G 14 11.671 -11.089 9.941 115 H8A A2G 103 H8A A2G 14 10.765 -9.807 9.138 116 H8B A2G 103 H8B A2G 14 10.185 -11.472 9.071 117 H14 A2G 103 H14 A2G 14 4.157 -12.761 15.097 118 H15 A2G 103 H15 A2G 14 6.094 -11.631 16.762 119 H1 A2G 104 H1 A2G 15 5.182 -5.855 8.244 120 H2 A2G 104 H2 A2G 15 3.005 -4.713 8.298 121 HN2 A2G 104 HN2 A2G 15 2.867 -7.395 9.550 122 H3 A2G 104 H3 A2G 15 1.895 -7.302 7.181 123 HO3 A2G 104 HO3 A2G 15 0.498 -6.170 8.549 124 H4 A2G 104 H4 A2G 15 1.471 -6.065 5.137 125 HO4 A2G 104 HO4 A2G 15 1.123 -4.028 5.772 126 H5 A2G 104 H5 A2G 15 3.691 -7.092 5.285 127 H6 A2G 104 H6 A2G 15 4.474 -4.456 4.197 128 H8 A2G 104 H8 A2G 15 1.502 -6.582 12.115 129 H8A A2G 104 H8A A2G 15 3.033 -5.920 12.688 130 H8B A2G 104 H8B A2G 15 3.010 -7.435 11.785 131 H14 A2G 104 H14 A2G 15 4.471 -6.037 3.417 132 H15 A2G 104 H15 A2G 15 2.877 -4.415 2.678 Start of MODEL 4 1 H1 ACE 1 H1 ACE 1 -3.291 -23.524 7.066 2 H2 ACE 1 H2 ACE 1 -3.177 -24.520 8.516 3 H3 ACE 1 H3 ACE 1 -3.235 -25.281 6.926 4 HA PRO 2 HA PRO 2 1.091 -25.451 6.293 5 HB2 PRO 2 HB2 PRO 2 1.331 -23.436 4.247 6 HB3 PRO 2 HB3 PRO 2 1.322 -25.196 4.055 7 HG2 PRO 2 HG2 PRO 2 -0.827 -23.266 3.626 8 HG3 PRO 2 HG3 PRO 2 -0.665 -24.927 3.037 9 HD2 PRO 2 HD2 PRO 2 -2.467 -24.192 4.965 10 HD3 PRO 2 HD3 PRO 2 -1.763 -25.822 4.862 11 HA PRO 3 HA PRO 3 3.307 -22.491 8.648 12 HB2 PRO 3 HB2 PRO 3 5.285 -21.820 6.663 13 HB3 PRO 3 HB3 PRO 3 5.455 -22.895 8.059 14 HG2 PRO 3 HG2 PRO 3 5.006 -23.550 5.248 15 HG3 PRO 3 HG3 PRO 3 5.610 -24.568 6.564 16 HD2 PRO 3 HD2 PRO 3 3.129 -24.884 5.446 17 HD3 PRO 3 HD3 PRO 3 3.499 -25.318 7.130 18 H THR 4 H THR 4 3.912 -20.190 8.755 19 HA THR 4 HA THR 4 2.888 -18.505 6.583 20 HB THR 4 HB THR 4 1.489 -17.198 8.090 21 HG21 THR 4 HG21 THR 4 -0.295 -18.718 8.283 22 HG22 THR 4 HG22 THR 4 0.776 -20.069 8.658 23 HG23 THR 4 HG23 THR 4 0.698 -19.436 7.014 24 H THR 5 H THR 5 3.954 -16.589 6.382 25 HA THR 5 HA THR 5 6.166 -16.123 8.279 26 HB THR 5 HB THR 5 7.269 -14.926 6.475 27 HG21 THR 5 HG21 THR 5 6.933 -17.602 6.545 28 HG22 THR 5 HG22 THR 5 7.880 -16.797 5.294 29 HG23 THR 5 HG23 THR 5 6.210 -17.265 4.972 30 H THR 6 H THR 6 6.778 -13.778 8.533 31 HA THR 6 HA THR 6 4.426 -12.000 8.484 32 HB THR 6 HB THR 6 4.787 -11.293 10.742 33 HG21 THR 6 HG21 THR 6 5.248 -14.249 10.997 34 HG22 THR 6 HG22 THR 6 3.776 -13.669 10.219 35 HG23 THR 6 HG23 THR 6 4.129 -13.216 11.887 36 H THR 7 H THR 7 5.043 -9.697 8.831 37 HA THR 7 HA THR 7 7.817 -9.091 8.055 38 HB THR 7 HB THR 7 7.098 -7.583 6.300 39 HG21 THR 7 HG21 THR 7 6.532 -9.183 4.702 40 HG22 THR 7 HG22 THR 7 5.433 -10.028 5.791 41 HG23 THR 7 HG23 THR 7 7.176 -10.199 5.990 42 H LYS 8 H LYS 8 8.187 -6.652 8.162 43 HA LYS 8 HA LYS 8 6.454 -5.155 9.927 44 HB2 LYS 8 HB2 LYS 8 7.789 -6.674 11.456 45 HB3 LYS 8 HB3 LYS 8 9.232 -5.809 10.923 46 HG2 LYS 8 HG2 LYS 8 8.211 -3.676 11.672 47 HG3 LYS 8 HG3 LYS 8 6.804 -4.568 12.252 48 HD2 LYS 8 HD2 LYS 8 8.863 -5.951 13.430 49 HD3 LYS 8 HD3 LYS 8 9.481 -4.300 13.452 50 HE2 LYS 8 HE2 LYS 8 6.827 -5.250 14.564 51 HE3 LYS 8 HE3 LYS 8 8.212 -4.673 15.490 52 HZ1 LYS 8 HZ1 LYS 8 6.470 -3.125 13.665 53 HZ2 LYS 8 HZ2 LYS 8 7.976 -2.545 14.198 54 HZ3 LYS 8 HZ3 LYS 8 6.742 -2.867 15.319 55 H LYS 9 H LYS 9 6.514 -3.149 9.167 56 HA LYS 9 HA LYS 9 8.411 -2.236 7.282 57 HB2 LYS 9 HB2 LYS 9 7.292 0.050 8.398 58 HB3 LYS 9 HB3 LYS 9 6.663 -0.845 7.015 59 HG2 LYS 9 HG2 LYS 9 5.218 -2.159 8.418 60 HG3 LYS 9 HG3 LYS 9 5.982 -1.540 9.882 61 HD2 LYS 9 HD2 LYS 9 5.119 0.680 9.479 62 HD3 LYS 9 HD3 LYS 9 4.524 0.211 7.886 63 HE2 LYS 9 HE2 LYS 9 2.835 -1.181 8.804 64 HE3 LYS 9 HE3 LYS 9 3.587 -1.175 10.399 65 HZ1 LYS 9 HZ1 LYS 9 3.182 1.304 10.372 66 HZ2 LYS 9 HZ2 LYS 9 1.807 0.318 10.537 67 HZ3 LYS 9 HZ3 LYS 9 2.166 1.036 9.039 68 HA PRO 10 HA PRO 10 11.941 -0.704 9.338 69 HB2 PRO 10 HB2 PRO 10 11.553 2.086 8.732 70 HB3 PRO 10 HB3 PRO 10 12.646 0.936 7.946 71 HG2 PRO 10 HG2 PRO 10 10.033 1.908 7.080 72 HG3 PRO 10 HG3 PRO 10 11.316 1.129 6.144 73 HD2 PRO 10 HD2 PRO 10 8.948 -0.106 6.752 74 HD3 PRO 10 HD3 PRO 10 10.468 -0.991 6.496 75 HN1 NH2 11 HN1 NH2 11 9.017 0.908 11.481 76 HN2 NH2 11 HN2 NH2 11 9.217 1.757 10.025 77 H1 A2G 101 H1 A2G 12 2.596 -16.267 9.805 78 H2 A2G 101 H2 A2G 12 2.528 -16.097 12.257 79 HN2 A2G 101 HN2 A2G 12 4.107 -18.436 11.360 80 H3 A2G 101 H3 A2G 12 1.754 -19.026 12.195 81 HO3 A2G 101 HO3 A2G 12 1.426 -18.479 14.476 82 H4 A2G 101 H4 A2G 12 -0.425 -18.314 12.992 83 HO4 A2G 101 HO4 A2G 12 0.396 -16.455 14.109 84 H5 A2G 101 H5 A2G 12 -0.170 -18.341 10.555 85 H6 A2G 101 H6 A2G 12 -1.630 -15.806 11.347 86 H8 A2G 101 H8 A2G 12 6.468 -18.180 12.864 87 H8A A2G 101 H8A A2G 12 7.052 -16.649 12.210 88 H8B A2G 101 H8B A2G 12 6.413 -17.885 11.126 89 H14 A2G 101 H14 A2G 12 -1.985 -16.863 9.981 90 H15 A2G 101 H15 A2G 12 -2.093 -17.651 12.701 91 H1 A2G 102 H1 A2G 13 6.127 -13.041 5.848 92 H2 A2G 102 H2 A2G 13 5.352 -11.966 3.779 93 HN2 A2G 102 HN2 A2G 13 3.309 -13.794 4.901 94 H3 A2G 102 H3 A2G 13 4.598 -14.767 2.901 95 HO3 A2G 102 HO3 A2G 13 3.257 -13.496 1.855 96 H4 A2G 102 H4 A2G 13 6.369 -14.553 1.250 97 HO4 A2G 102 HO4 A2G 13 6.074 -12.043 1.604 98 H5 A2G 102 H5 A2G 13 7.035 -15.459 3.432 99 H6 A2G 102 H6 A2G 13 9.356 -13.717 3.068 100 H8 A2G 102 H8 A2G 13 0.954 -11.841 4.852 101 H8A A2G 102 H8A A2G 13 1.668 -11.091 6.279 102 H8B A2G 102 H8B A2G 13 1.698 -12.845 6.096 103 H14 A2G 102 H14 A2G 13 9.215 -15.457 2.815 104 H15 A2G 102 H15 A2G 13 8.896 -15.133 0.772 105 H1 A2G 103 H1 A2G 14 6.821 -10.168 10.804 106 H2 A2G 103 H2 A2G 14 8.774 -10.071 12.293 107 HN2 A2G 103 HN2 A2G 14 9.112 -12.119 10.182 108 H3 A2G 103 H3 A2G 14 8.475 -13.080 12.477 109 HO3 A2G 103 HO3 A2G 14 10.104 -12.572 14.177 110 H4 A2G 103 H4 A2G 14 7.850 -12.716 14.797 111 HO4 A2G 103 HO4 A2G 14 8.224 -10.881 15.719 112 H5 A2G 103 H5 A2G 14 6.014 -12.674 13.167 113 H6 A2G 103 H6 A2G 14 5.394 -10.357 14.968 114 H8 A2G 103 H8 A2G 14 11.636 -11.573 9.174 115 H8A A2G 103 H8A A2G 14 11.409 -9.930 8.573 116 H8B A2G 103 H8B A2G 14 10.193 -11.165 8.245 117 H14 A2G 103 H14 A2G 14 4.417 -11.778 14.603 118 H15 A2G 103 H15 A2G 14 6.297 -12.902 15.719 119 H1 A2G 104 H1 A2G 15 5.781 -5.915 7.243 120 H2 A2G 104 H2 A2G 15 3.671 -4.775 6.709 121 HN2 A2G 104 HN2 A2G 15 3.224 -7.145 8.427 122 H3 A2G 104 H3 A2G 15 2.662 -7.530 5.953 123 HO3 A2G 104 HO3 A2G 15 1.523 -4.936 5.934 124 H4 A2G 104 H4 A2G 15 2.610 -6.709 3.667 125 HO4 A2G 104 HO4 A2G 15 2.235 -4.533 4.095 126 H5 A2G 104 H5 A2G 15 4.721 -7.726 4.398 127 H6 A2G 104 H6 A2G 15 5.441 -5.244 2.831 128 H8 A2G 104 H8 A2G 15 1.646 -6.207 10.458 129 H8A A2G 104 H8A A2G 15 2.634 -4.918 11.147 130 H8B A2G 104 H8B A2G 15 3.359 -6.482 10.776 131 H14 A2G 104 H14 A2G 15 6.113 -6.866 2.673 132 H15 A2G 104 H15 A2G 15 4.470 -7.450 1.490 Start of MODEL 5 1 H1 ACE 1 H1 ACE 1 -3.287 -21.297 9.350 2 H2 ACE 1 H2 ACE 1 -3.536 -22.404 7.999 3 H3 ACE 1 H3 ACE 1 -3.061 -20.733 7.695 4 HA PRO 2 HA PRO 2 0.550 -23.962 7.861 5 HB2 PRO 2 HB2 PRO 2 1.438 -22.708 5.425 6 HB3 PRO 2 HB3 PRO 2 0.901 -24.378 5.664 7 HG2 PRO 2 HG2 PRO 2 -0.553 -22.096 4.565 8 HG3 PRO 2 HG3 PRO 2 -0.886 -23.828 4.416 9 HD2 PRO 2 HD2 PRO 2 -2.427 -22.131 5.916 10 HD3 PRO 2 HD3 PRO 2 -2.248 -23.862 6.283 11 HA PRO 3 HA PRO 3 3.501 -21.252 9.642 12 HB2 PRO 3 HB2 PRO 3 5.636 -21.717 7.764 13 HB3 PRO 3 HB3 PRO 3 5.440 -22.392 9.388 14 HG2 PRO 3 HG2 PRO 3 4.882 -23.603 6.790 15 HG3 PRO 3 HG3 PRO 3 5.117 -24.370 8.368 16 HD2 PRO 3 HD2 PRO 3 2.685 -24.243 7.113 17 HD3 PRO 3 HD3 PRO 3 2.865 -24.309 8.881 18 H THR 4 H THR 4 2.831 -19.171 9.307 19 HA THR 4 HA THR 4 3.213 -17.937 6.674 20 HB THR 4 HB THR 4 1.911 -16.063 7.624 21 HG21 THR 4 HG21 THR 4 0.362 -18.468 8.462 22 HG22 THR 4 HG22 THR 4 0.945 -18.424 6.797 23 HG23 THR 4 HG23 THR 4 -0.110 -17.144 7.397 24 H THR 5 H THR 5 4.045 -15.638 6.701 25 HA THR 5 HA THR 5 6.169 -15.262 8.714 26 HB THR 5 HB THR 5 7.725 -14.580 6.927 27 HG21 THR 5 HG21 THR 5 7.011 -17.149 7.621 28 HG22 THR 5 HG22 THR 5 8.410 -16.724 6.635 29 HG23 THR 5 HG23 THR 5 6.894 -17.192 5.862 30 H THR 6 H THR 6 6.557 -13.163 9.300 31 HA THR 6 HA THR 6 4.682 -11.164 8.211 32 HB THR 6 HB THR 6 5.073 -9.937 10.309 33 HG21 THR 6 HG21 THR 6 3.625 -11.243 11.506 34 HG22 THR 6 HG22 THR 6 4.619 -12.689 11.322 35 HG23 THR 6 HG23 THR 6 3.565 -12.169 10.006 36 H THR 7 H THR 7 5.413 -9.461 7.097 37 HA THR 7 HA THR 7 8.327 -9.134 6.836 38 HB THR 7 HB THR 7 7.831 -7.928 4.775 39 HG21 THR 7 HG21 THR 7 7.757 -10.509 4.921 40 HG22 THR 7 HG22 THR 7 7.049 -9.755 3.492 41 HG23 THR 7 HG23 THR 7 6.007 -10.330 4.794 42 H LYS 8 H LYS 8 9.192 -7.653 8.137 43 HA LYS 8 HA LYS 8 9.369 -5.804 9.516 44 HB2 LYS 8 HB2 LYS 8 8.106 -4.551 7.065 45 HB3 LYS 8 HB3 LYS 8 8.999 -3.688 8.318 46 HG2 LYS 8 HG2 LYS 8 10.929 -4.162 7.267 47 HG3 LYS 8 HG3 LYS 8 10.608 -5.886 7.463 48 HD2 LYS 8 HD2 LYS 8 9.271 -5.886 5.398 49 HD3 LYS 8 HD3 LYS 8 9.557 -4.157 5.204 50 HE2 LYS 8 HE2 LYS 8 11.734 -6.265 5.289 51 HE3 LYS 8 HE3 LYS 8 11.103 -5.532 3.815 52 HZ1 LYS 8 HZ1 LYS 8 11.666 -3.356 5.198 53 HZ2 LYS 8 HZ2 LYS 8 12.802 -4.117 4.189 54 HZ3 LYS 8 HZ3 LYS 8 12.830 -4.394 5.865 55 H LYS 9 H LYS 9 7.994 -6.153 11.229 56 HA LYS 9 HA LYS 9 5.181 -5.927 11.146 57 HB2 LYS 9 HB2 LYS 9 5.865 -5.285 13.741 58 HB3 LYS 9 HB3 LYS 9 5.634 -6.919 13.119 59 HG2 LYS 9 HG2 LYS 9 7.969 -7.199 12.708 60 HG3 LYS 9 HG3 LYS 9 8.287 -5.480 12.940 61 HD2 LYS 9 HD2 LYS 9 7.753 -5.638 15.300 62 HD3 LYS 9 HD3 LYS 9 7.232 -7.313 15.110 63 HE2 LYS 9 HE2 LYS 9 9.499 -7.259 16.029 64 HE3 LYS 9 HE3 LYS 9 9.538 -7.918 14.393 65 HZ1 LYS 9 HZ1 LYS 9 9.770 -5.155 14.183 66 HZ2 LYS 9 HZ2 LYS 9 10.954 -6.328 13.849 67 HZ3 LYS 9 HZ3 LYS 9 10.846 -5.640 15.399 68 HA PRO 10 HA PRO 10 4.022 -1.719 11.100 69 HB2 PRO 10 HB2 PRO 10 2.869 -1.623 13.738 70 HB3 PRO 10 HB3 PRO 10 2.034 -1.752 12.183 71 HG2 PRO 10 HG2 PRO 10 2.653 -3.828 14.139 72 HG3 PRO 10 HG3 PRO 10 1.468 -3.831 12.824 73 HD2 PRO 10 HD2 PRO 10 3.755 -5.340 12.782 74 HD3 PRO 10 HD3 PRO 10 2.955 -4.744 11.310 75 HN1 NH2 11 HN1 NH2 11 5.473 -0.688 14.729 76 HN2 NH2 11 HN2 NH2 11 5.077 -2.331 14.574 77 H1 A2G 101 H1 A2G 12 2.808 -15.057 9.468 78 H2 A2G 101 H2 A2G 12 2.126 -14.444 11.748 79 HN2 A2G 101 HN2 A2G 12 3.331 -17.147 11.649 80 H3 A2G 101 H3 A2G 12 0.762 -17.150 11.801 81 HO3 A2G 101 HO3 A2G 12 0.783 -16.817 13.854 82 H4 A2G 101 H4 A2G 12 -1.331 -15.917 11.839 83 HO4 A2G 101 HO4 A2G 12 -1.286 -13.655 11.622 84 H5 A2G 101 H5 A2G 12 -0.438 -16.455 9.616 85 H6 A2G 101 H6 A2G 12 -1.289 -13.669 9.111 86 H8 A2G 101 H8 A2G 12 5.265 -16.769 13.986 87 H8A A2G 101 H8A A2G 12 6.301 -15.882 12.868 88 H8B A2G 101 H8B A2G 12 5.440 -17.320 12.320 89 H14 A2G 101 H14 A2G 12 -1.994 -15.181 8.538 90 H15 A2G 101 H15 A2G 12 -2.688 -13.645 10.656 91 H1 A2G 102 H1 A2G 13 6.798 -12.908 5.539 92 H2 A2G 102 H2 A2G 13 6.681 -12.551 3.112 93 HN2 A2G 102 HN2 A2G 13 4.297 -13.983 4.128 94 H3 A2G 102 H3 A2G 13 6.000 -15.499 2.949 95 HO3 A2G 102 HO3 A2G 13 6.602 -13.678 0.879 96 H4 A2G 102 H4 A2G 13 8.166 -15.791 1.894 97 HO4 A2G 102 HO4 A2G 13 8.072 -13.510 1.103 98 H5 A2G 102 H5 A2G 13 8.170 -15.940 4.342 99 H6 A2G 102 H6 A2G 13 10.569 -14.287 3.512 100 H8 A2G 102 H8 A2G 13 2.187 -12.576 2.990 101 H8A A2G 102 H8A A2G 13 2.441 -10.980 3.698 102 H8B A2G 102 H8B A2G 13 2.557 -12.422 4.707 103 H14 A2G 102 H14 A2G 13 10.508 -15.579 4.711 104 H15 A2G 102 H15 A2G 13 10.072 -15.859 1.923 105 H1 A2G 103 H1 A2G 14 7.302 -9.375 10.667 106 H2 A2G 103 H2 A2G 14 8.901 -9.543 12.526 107 HN2 A2G 103 HN2 A2G 14 9.028 -11.905 10.743 108 H3 A2G 103 H3 A2G 14 7.761 -12.320 12.938 109 HO3 A2G 103 HO3 A2G 14 9.141 -11.659 14.965 110 H4 A2G 103 H4 A2G 14 6.828 -11.470 15.010 111 HO4 A2G 103 HO4 A2G 14 8.209 -9.141 14.231 112 H5 A2G 103 H5 A2G 14 5.402 -11.189 13.035 113 H6 A2G 103 H6 A2G 14 5.391 -8.727 14.813 114 H8 A2G 103 H8 A2G 14 11.709 -12.217 10.268 115 H8A A2G 103 H8A A2G 14 12.144 -10.678 9.523 116 H8B A2G 103 H8B A2G 14 10.695 -11.534 8.998 117 H14 A2G 103 H14 A2G 14 4.043 -9.273 13.814 118 H15 A2G 103 H15 A2G 14 3.884 -11.108 15.044 119 H1 A2G 104 H1 A2G 15 6.723 -6.022 5.109 120 H2 A2G 104 H2 A2G 15 4.704 -4.807 4.404 121 HN2 A2G 104 HN2 A2G 15 4.161 -6.591 6.705 122 H3 A2G 104 H3 A2G 15 3.351 -7.519 4.458 123 HO3 A2G 104 HO3 A2G 15 2.487 -4.915 3.745 124 H4 A2G 104 H4 A2G 15 3.206 -7.329 2.043 125 HO4 A2G 104 HO4 A2G 15 4.785 -5.365 1.437 126 H5 A2G 104 H5 A2G 15 5.270 -8.353 2.881 127 H6 A2G 104 H6 A2G 15 6.453 -6.599 0.821 128 H8 A2G 104 H8 A2G 15 2.708 -4.591 8.419 129 H8A A2G 104 H8A A2G 15 4.253 -3.852 8.842 130 H8B A2G 104 H8B A2G 15 4.119 -5.606 8.723 131 H14 A2G 104 H14 A2G 15 6.264 -8.353 0.830 132 H15 A2G 104 H15 A2G 15 4.111 -6.555 0.467 Start of MODEL 6 1 H1 ACE 1 H1 ACE 1 -3.474 -22.786 5.127 2 H2 ACE 1 H2 ACE 1 -2.716 -23.686 3.813 3 H3 ACE 1 H3 ACE 1 -2.562 -21.931 3.883 4 HA PRO 2 HA PRO 2 1.075 -24.460 5.857 5 HB2 PRO 2 HB2 PRO 2 2.779 -22.715 4.325 6 HB3 PRO 2 HB3 PRO 2 2.599 -24.471 4.184 7 HG2 PRO 2 HG2 PRO 2 1.444 -22.344 2.550 8 HG3 PRO 2 HG3 PRO 2 1.646 -24.064 2.188 9 HD2 PRO 2 HD2 PRO 2 -0.791 -22.915 2.674 10 HD3 PRO 2 HD3 PRO 2 -0.434 -24.621 3.024 11 HA PRO 3 HA PRO 3 1.956 -21.569 9.033 12 HB2 PRO 3 HB2 PRO 3 4.795 -21.359 8.588 13 HB3 PRO 3 HB3 PRO 3 3.947 -22.295 9.829 14 HG2 PRO 3 HG2 PRO 3 5.113 -23.179 7.302 15 HG3 PRO 3 HG3 PRO 3 4.666 -24.121 8.732 16 HD2 PRO 3 HD2 PRO 3 3.285 -24.241 6.369 17 HD3 PRO 3 HD3 PRO 3 2.532 -24.540 7.952 18 H THR 4 H THR 4 2.030 -19.364 9.270 19 HA THR 4 HA THR 4 2.508 -17.800 6.834 20 HB THR 4 HB THR 4 1.318 -16.007 7.987 21 HG21 THR 4 HG21 THR 4 -0.640 -16.985 7.453 22 HG22 THR 4 HG22 THR 4 -0.516 -18.091 8.820 23 HG23 THR 4 HG23 THR 4 0.237 -18.505 7.279 24 H THR 5 H THR 5 3.566 -15.643 7.118 25 HA THR 5 HA THR 5 5.674 -15.682 9.181 26 HB THR 5 HB THR 5 7.328 -14.976 7.500 27 HG21 THR 5 HG21 THR 5 6.195 -17.369 6.179 28 HG22 THR 5 HG22 THR 5 6.419 -17.509 7.923 29 HG23 THR 5 HG23 THR 5 7.792 -17.124 6.885 30 H THR 6 H THR 6 6.424 -13.647 9.830 31 HA THR 6 HA THR 6 4.636 -11.420 9.097 32 HB THR 6 HB THR 6 5.207 -10.434 11.221 33 HG21 THR 6 HG21 THR 6 5.037 -13.106 12.335 34 HG22 THR 6 HG22 THR 6 3.961 -12.938 10.948 35 HG23 THR 6 HG23 THR 6 3.818 -11.832 12.314 36 H THR 7 H THR 7 5.409 -9.590 8.191 37 HA THR 7 HA THR 7 8.271 -9.549 7.500 38 HB THR 7 HB THR 7 7.365 -7.631 5.950 39 HG21 THR 7 HG21 THR 7 6.658 -10.544 5.494 40 HG22 THR 7 HG22 THR 7 8.228 -9.810 5.167 41 HG23 THR 7 HG23 THR 7 6.813 -9.316 4.237 42 H LYS 8 H LYS 8 9.272 -7.334 7.389 43 HA LYS 8 HA LYS 8 8.916 -6.027 9.946 44 HB2 LYS 8 HB2 LYS 8 10.852 -5.765 7.666 45 HB3 LYS 8 HB3 LYS 8 10.770 -4.513 8.906 46 HG2 LYS 8 HG2 LYS 8 11.161 -6.193 10.656 47 HG3 LYS 8 HG3 LYS 8 11.203 -7.468 9.436 48 HD2 LYS 8 HD2 LYS 8 13.014 -5.266 8.797 49 HD3 LYS 8 HD3 LYS 8 13.396 -6.020 10.345 50 HE2 LYS 8 HE2 LYS 8 14.541 -7.106 8.387 51 HE3 LYS 8 HE3 LYS 8 13.526 -8.209 9.316 52 HZ1 LYS 8 HZ1 LYS 8 13.340 -8.126 6.743 53 HZ2 LYS 8 HZ2 LYS 8 12.370 -6.763 7.034 54 HZ3 LYS 8 HZ3 LYS 8 11.938 -8.271 7.685 55 H LYS 9 H LYS 9 6.863 -5.069 9.811 56 HA LYS 9 HA LYS 9 5.990 -3.410 7.699 57 HB2 LYS 9 HB2 LYS 9 4.736 -2.444 9.982 58 HB3 LYS 9 HB3 LYS 9 4.142 -3.737 8.939 59 HG2 LYS 9 HG2 LYS 9 5.172 -5.426 10.303 60 HG3 LYS 9 HG3 LYS 9 6.060 -4.216 11.232 61 HD2 LYS 9 HD2 LYS 9 3.904 -3.295 12.055 62 HD3 LYS 9 HD3 LYS 9 3.047 -4.563 11.177 63 HE2 LYS 9 HE2 LYS 9 3.226 -5.500 13.310 64 HE3 LYS 9 HE3 LYS 9 4.639 -6.178 12.500 65 HZ1 LYS 9 HZ1 LYS 9 5.290 -3.658 13.569 66 HZ2 LYS 9 HZ2 LYS 9 5.947 -5.176 13.953 67 HZ3 LYS 9 HZ3 LYS 9 4.583 -4.601 14.788 68 HA PRO 10 HA PRO 10 7.956 0.478 7.944 69 HB2 PRO 10 HB2 PRO 10 5.649 2.023 8.711 70 HB3 PRO 10 HB3 PRO 10 6.383 1.877 7.108 71 HG2 PRO 10 HG2 PRO 10 4.021 0.553 8.198 72 HG3 PRO 10 HG3 PRO 10 4.517 0.772 6.515 73 HD2 PRO 10 HD2 PRO 10 4.573 -1.652 7.789 74 HD3 PRO 10 HD3 PRO 10 5.673 -1.227 6.458 75 HN1 NH2 11 HN1 NH2 11 8.863 2.006 9.885 76 HN2 NH2 11 HN2 NH2 11 7.581 2.486 10.890 77 H1 A2G 101 H1 A2G 12 2.532 -15.311 9.817 78 H2 A2G 101 H2 A2G 12 2.139 -14.802 12.189 79 HN2 A2G 101 HN2 A2G 12 2.879 -17.641 11.778 80 H3 A2G 101 H3 A2G 12 0.364 -17.259 12.164 81 HO3 A2G 101 HO3 A2G 12 0.070 -16.767 14.285 82 H4 A2G 101 H4 A2G 12 -1.492 -15.724 12.485 83 HO4 A2G 101 HO4 A2G 12 0.218 -14.134 13.419 84 H5 A2G 101 H5 A2G 12 -0.875 -16.196 10.156 85 H6 A2G 101 H6 A2G 12 -1.377 -13.223 10.299 86 H8 A2G 101 H8 A2G 12 4.869 -18.043 13.694 87 H8A A2G 101 H8A A2G 12 6.080 -16.893 13.128 88 H8B A2G 101 H8B A2G 12 5.251 -17.939 11.975 89 H14 A2G 101 H14 A2G 12 -2.031 -14.393 9.153 90 H15 A2G 101 H15 A2G 12 -3.637 -14.596 10.458 91 H1 A2G 102 H1 A2G 13 6.607 -13.073 6.320 92 H2 A2G 102 H2 A2G 13 6.562 -12.409 3.954 93 HN2 A2G 102 HN2 A2G 13 4.028 -13.709 4.770 94 H3 A2G 102 H3 A2G 13 5.600 -15.237 3.436 95 HO3 A2G 102 HO3 A2G 13 6.470 -13.519 1.445 96 H4 A2G 102 H4 A2G 13 7.738 -15.591 2.336 97 HO4 A2G 102 HO4 A2G 13 9.059 -13.431 3.190 98 H5 A2G 102 H5 A2G 13 7.677 -16.055 4.746 99 H6 A2G 102 H6 A2G 13 10.255 -14.574 4.204 100 H8 A2G 102 H8 A2G 13 2.132 -12.094 3.754 101 H8A A2G 102 H8A A2G 13 2.434 -10.524 4.498 102 H8B A2G 102 H8B A2G 13 2.394 -11.978 5.495 103 H14 A2G 102 H14 A2G 13 10.021 -16.050 5.140 104 H15 A2G 102 H15 A2G 13 10.754 -16.744 3.217 105 H1 A2G 103 H1 A2G 14 7.448 -9.803 11.151 106 H2 A2G 103 H2 A2G 14 9.388 -9.925 12.654 107 HN2 A2G 103 HN2 A2G 14 9.219 -12.289 10.878 108 H3 A2G 103 H3 A2G 14 8.411 -12.724 13.283 109 HO3 A2G 103 HO3 A2G 14 10.285 -11.538 14.866 110 H4 A2G 103 H4 A2G 14 7.911 -11.878 15.506 111 HO4 A2G 103 HO4 A2G 14 9.567 -9.991 14.831 112 H5 A2G 103 H5 A2G 14 6.116 -11.668 13.844 113 H6 A2G 103 H6 A2G 14 5.877 -9.012 15.117 114 H8 A2G 103 H8 A2G 14 12.059 -12.246 9.810 115 H8A A2G 103 H8A A2G 14 11.608 -10.858 8.820 116 H8B A2G 103 H8B A2G 14 10.475 -12.193 9.037 117 H14 A2G 103 H14 A2G 14 4.808 -10.410 15.227 118 H15 A2G 103 H15 A2G 14 7.339 -10.276 16.486 119 H1 A2G 104 H1 A2G 15 5.739 -6.521 7.197 120 H2 A2G 104 H2 A2G 15 3.385 -5.856 6.963 121 HN2 A2G 104 HN2 A2G 15 3.646 -8.555 8.155 122 H3 A2G 104 H3 A2G 15 3.003 -8.568 5.667 123 HO3 A2G 104 HO3 A2G 15 1.362 -7.032 6.963 124 H4 A2G 104 H4 A2G 15 2.589 -7.346 3.607 125 HO4 A2G 104 HO4 A2G 15 2.319 -5.257 3.594 126 H5 A2G 104 H5 A2G 15 4.930 -7.935 4.057 127 H6 A2G 104 H6 A2G 15 5.147 -5.116 3.079 128 H8 A2G 104 H8 A2G 15 1.869 -8.307 10.413 129 H8A A2G 104 H8A A2G 15 2.874 -7.162 11.301 130 H8B A2G 104 H8B A2G 15 3.616 -8.535 10.480 131 H14 A2G 104 H14 A2G 15 5.834 -6.592 2.401 132 H15 A2G 104 H15 A2G 15 4.149 -6.760 1.191 Start of MODEL 7 1 H1 ACE 1 H1 ACE 1 -1.951 -23.053 3.987 2 H2 ACE 1 H2 ACE 1 -2.647 -24.101 5.223 3 H3 ACE 1 H3 ACE 1 -1.749 -24.801 3.877 4 HA PRO 2 HA PRO 2 2.164 -24.825 5.839 5 HB2 PRO 2 HB2 PRO 2 3.440 -22.721 4.341 6 HB3 PRO 2 HB3 PRO 2 3.623 -24.472 4.146 7 HG2 PRO 2 HG2 PRO 2 2.023 -22.585 2.596 8 HG3 PRO 2 HG3 PRO 2 2.569 -24.215 2.177 9 HD2 PRO 2 HD2 PRO 2 -0.044 -23.609 2.732 10 HD3 PRO 2 HD3 PRO 2 0.665 -25.214 3.022 11 HA PRO 3 HA PRO 3 2.489 -21.905 9.094 12 HB2 PRO 3 HB2 PRO 3 5.214 -21.099 8.618 13 HB3 PRO 3 HB3 PRO 3 4.602 -22.225 9.840 14 HG2 PRO 3 HG2 PRO 3 5.877 -22.777 7.270 15 HG3 PRO 3 HG3 PRO 3 5.662 -23.831 8.675 16 HD2 PRO 3 HD2 PRO 3 4.290 -24.167 6.329 17 HD3 PRO 3 HD3 PRO 3 3.646 -24.661 7.911 18 H THR 4 H THR 4 2.397 -19.669 9.501 19 HA THR 4 HA THR 4 2.240 -18.009 7.089 20 HB THR 4 HB THR 4 1.016 -16.430 8.499 21 HG21 THR 4 HG21 THR 4 -0.197 -18.973 9.414 22 HG22 THR 4 HG22 THR 4 0.104 -18.858 7.680 23 HG23 THR 4 HG23 THR 4 -0.911 -17.657 8.480 24 H THR 5 H THR 5 3.581 -16.338 6.674 25 HA THR 5 HA THR 5 5.783 -15.885 8.585 26 HB THR 5 HB THR 5 7.038 -15.022 6.654 27 HG21 THR 5 HG21 THR 5 6.534 -17.618 7.191 28 HG22 THR 5 HG22 THR 5 7.570 -17.107 5.858 29 HG23 THR 5 HG23 THR 5 5.886 -17.532 5.553 30 H THR 6 H THR 6 6.267 -13.852 9.315 31 HA THR 6 HA THR 6 4.250 -11.775 8.754 32 HB THR 6 HB THR 6 4.987 -10.764 10.879 33 HG21 THR 6 HG21 THR 6 4.614 -13.670 11.511 34 HG22 THR 6 HG22 THR 6 3.335 -12.821 10.642 35 HG23 THR 6 HG23 THR 6 3.840 -12.260 12.236 36 H THR 7 H THR 7 4.845 -9.720 8.130 37 HA THR 7 HA THR 7 7.589 -9.474 7.093 38 HB THR 7 HB THR 7 6.708 -7.731 5.645 39 HG21 THR 7 HG21 THR 7 5.465 -9.103 4.236 40 HG22 THR 7 HG22 THR 7 4.553 -9.815 5.568 41 HG23 THR 7 HG23 THR 7 6.224 -10.302 5.283 42 H LYS 8 H LYS 8 9.005 -8.114 7.991 43 HA LYS 8 HA LYS 8 8.235 -6.574 10.316 44 HB2 LYS 8 HB2 LYS 8 10.347 -7.634 10.488 45 HB3 LYS 8 HB3 LYS 8 10.852 -7.060 8.898 46 HG2 LYS 8 HG2 LYS 8 11.211 -4.876 9.651 47 HG3 LYS 8 HG3 LYS 8 10.138 -5.074 11.037 48 HD2 LYS 8 HD2 LYS 8 11.727 -6.385 12.219 49 HD3 LYS 8 HD3 LYS 8 12.699 -6.653 10.772 50 HE2 LYS 8 HE2 LYS 8 13.634 -4.928 12.382 51 HE3 LYS 8 HE3 LYS 8 13.414 -4.360 10.726 52 HZ1 LYS 8 HZ1 LYS 8 12.442 -3.138 12.923 53 HZ2 LYS 8 HZ2 LYS 8 11.093 -4.028 12.397 54 HZ3 LYS 8 HZ3 LYS 8 11.845 -2.922 11.350 55 H LYS 9 H LYS 9 7.451 -4.580 10.207 56 HA LYS 9 HA LYS 9 8.668 -2.485 8.751 57 HB2 LYS 9 HB2 LYS 9 7.323 -3.964 6.992 58 HB3 LYS 9 HB3 LYS 9 5.969 -3.009 7.598 59 HG2 LYS 9 HG2 LYS 9 7.615 -0.985 7.258 60 HG3 LYS 9 HG3 LYS 9 8.436 -2.089 6.153 61 HD2 LYS 9 HD2 LYS 9 6.265 -2.460 4.977 62 HD3 LYS 9 HD3 LYS 9 5.525 -1.250 6.025 63 HE2 LYS 9 HE2 LYS 9 6.917 0.490 5.155 64 HE3 LYS 9 HE3 LYS 9 7.964 -0.667 4.334 65 HZ1 LYS 9 HZ1 LYS 9 5.322 -1.086 3.496 66 HZ2 LYS 9 HZ2 LYS 9 6.653 -0.574 2.575 67 HZ3 LYS 9 HZ3 LYS 9 5.664 0.569 3.351 68 HA PRO 10 HA PRO 10 5.464 -1.951 12.337 69 HB2 PRO 10 HB2 PRO 10 7.553 -0.445 13.626 70 HB3 PRO 10 HB3 PRO 10 6.807 -1.959 14.159 71 HG2 PRO 10 HG2 PRO 10 9.356 -1.516 12.806 72 HG3 PRO 10 HG3 PRO 10 8.794 -2.918 13.726 73 HD2 PRO 10 HD2 PRO 10 9.103 -2.941 11.004 74 HD3 PRO 10 HD3 PRO 10 7.924 -3.963 11.858 75 HN1 NH2 11 HN1 NH2 11 4.456 1.075 12.029 76 HN2 NH2 11 HN2 NH2 11 5.549 0.964 13.324 77 H1 A2G 101 H1 A2G 12 2.413 -15.619 10.175 78 H2 A2G 101 H2 A2G 12 2.256 -15.225 12.597 79 HN2 A2G 101 HN2 A2G 12 3.322 -17.923 11.993 80 H3 A2G 101 H3 A2G 12 0.857 -17.912 12.695 81 HO3 A2G 101 HO3 A2G 12 1.639 -17.739 14.636 82 H4 A2G 101 H4 A2G 12 -1.148 -16.678 13.284 83 HO4 A2G 101 HO4 A2G 12 -0.512 -14.198 12.737 84 H5 A2G 101 H5 A2G 12 -0.779 -16.971 10.879 85 H6 A2G 101 H6 A2G 12 -1.631 -14.244 10.574 86 H8 A2G 101 H8 A2G 12 5.726 -17.745 13.912 87 H8A A2G 101 H8A A2G 12 6.523 -16.846 12.621 88 H8B A2G 101 H8B A2G 12 5.495 -18.225 12.230 89 H14 A2G 101 H14 A2G 12 -2.614 -15.708 10.540 90 H15 A2G 101 H15 A2G 12 -3.377 -14.629 12.250 91 H1 A2G 102 H1 A2G 13 5.984 -13.210 5.670 92 H2 A2G 102 H2 A2G 13 5.379 -12.498 3.397 93 HN2 A2G 102 HN2 A2G 13 3.195 -14.028 4.685 94 H3 A2G 102 H3 A2G 13 4.556 -15.384 2.978 95 HO3 A2G 102 HO3 A2G 13 4.695 -13.187 1.194 96 H4 A2G 102 H4 A2G 13 6.429 -15.526 1.435 97 HO4 A2G 102 HO4 A2G 13 7.704 -13.803 1.020 98 H5 A2G 102 H5 A2G 13 6.925 -16.050 3.782 99 H6 A2G 102 H6 A2G 13 9.289 -14.388 3.078 100 H8 A2G 102 H8 A2G 13 0.942 -12.226 4.143 101 H8A A2G 102 H8A A2G 13 1.513 -11.009 5.285 102 H8B A2G 102 H8B A2G 13 1.610 -12.721 5.698 103 H14 A2G 102 H14 A2G 13 9.201 -16.103 3.482 104 H15 A2G 102 H15 A2G 13 8.851 -14.815 1.034 105 H1 A2G 103 H1 A2G 14 7.273 -10.280 10.765 106 H2 A2G 103 H2 A2G 14 9.222 -10.580 12.233 107 HN2 A2G 103 HN2 A2G 14 8.871 -12.876 10.395 108 H3 A2G 103 H3 A2G 14 8.067 -13.324 12.793 109 HO3 A2G 103 HO3 A2G 14 9.823 -13.246 14.351 110 H4 A2G 103 H4 A2G 14 7.658 -12.516 15.048 111 HO4 A2G 103 HO4 A2G 14 8.976 -10.250 14.039 112 H5 A2G 103 H5 A2G 14 5.857 -12.134 13.425 113 H6 A2G 103 H6 A2G 14 5.980 -9.531 14.900 114 H8 A2G 103 H8 A2G 14 11.506 -13.162 9.337 115 H8A A2G 103 H8A A2G 14 11.561 -11.628 8.467 116 H8B A2G 103 H8B A2G 14 10.105 -12.622 8.412 117 H14 A2G 103 H14 A2G 14 4.642 -10.669 14.750 118 H15 A2G 103 H15 A2G 14 5.269 -11.240 16.672 119 H1 A2G 104 H1 A2G 15 6.019 -5.936 6.956 120 H2 A2G 104 H2 A2G 15 4.081 -4.428 7.051 121 HN2 A2G 104 HN2 A2G 15 3.704 -6.803 8.780 122 H3 A2G 104 H3 A2G 15 2.431 -6.921 6.552 123 HO3 A2G 104 HO3 A2G 15 1.219 -4.547 6.230 124 H4 A2G 104 H4 A2G 15 1.910 -5.949 4.387 125 HO4 A2G 104 HO4 A2G 15 3.750 -3.903 5.049 126 H5 A2G 104 H5 A2G 15 3.924 -7.350 4.482 127 H6 A2G 104 H6 A2G 15 5.109 -5.300 2.800 128 H8 A2G 104 H8 A2G 15 2.941 -5.207 11.364 129 H8A A2G 104 H8A A2G 15 4.689 -5.020 11.506 130 H8B A2G 104 H8B A2G 15 4.010 -6.542 10.928 131 H14 A2G 104 H14 A2G 15 4.364 -6.828 2.328 132 H15 A2G 104 H15 A2G 15 3.324 -4.292 2.361 Start of MODEL 8 1 H1 ACE 1 H1 ACE 1 0.298 -25.344 3.164 2 H2 ACE 1 H2 ACE 1 1.995 -25.024 3.522 3 H3 ACE 1 H3 ACE 1 1.082 -23.906 2.510 4 HA PRO 2 HA PRO 2 -1.195 -23.479 6.833 5 HB2 PRO 2 HB2 PRO 2 0.541 -24.764 8.736 6 HB3 PRO 2 HB3 PRO 2 -1.139 -25.160 8.348 7 HG2 PRO 2 HG2 PRO 2 1.328 -26.444 7.460 8 HG3 PRO 2 HG3 PRO 2 -0.330 -27.061 7.461 9 HD2 PRO 2 HD2 PRO 2 1.010 -26.378 5.172 10 HD3 PRO 2 HD3 PRO 2 -0.760 -26.289 5.327 11 HA PRO 3 HA PRO 3 3.066 -21.936 8.919 12 HB2 PRO 3 HB2 PRO 3 4.860 -21.968 6.662 13 HB3 PRO 3 HB3 PRO 3 5.031 -22.802 8.214 14 HG2 PRO 3 HG2 PRO 3 4.112 -23.834 5.636 15 HG3 PRO 3 HG3 PRO 3 4.724 -24.705 7.050 16 HD2 PRO 3 HD2 PRO 3 2.102 -24.774 6.290 17 HD3 PRO 3 HD3 PRO 3 2.617 -24.933 7.986 18 H THR 4 H THR 4 3.710 -19.761 8.798 19 HA THR 4 HA THR 4 3.091 -18.248 6.375 20 HB THR 4 HB THR 4 1.744 -16.591 7.663 21 HG21 THR 4 HG21 THR 4 0.780 -18.749 6.488 22 HG22 THR 4 HG22 THR 4 -0.269 -17.793 7.534 23 HG23 THR 4 HG23 THR 4 0.470 -19.273 8.142 24 H THR 5 H THR 5 3.747 -15.870 6.753 25 HA THR 5 HA THR 5 6.095 -15.685 8.537 26 HB THR 5 HB THR 5 7.404 -14.611 6.790 27 HG21 THR 5 HG21 THR 5 8.035 -16.569 5.817 28 HG22 THR 5 HG22 THR 5 6.409 -16.913 5.229 29 HG23 THR 5 HG23 THR 5 6.837 -17.278 6.899 30 H THR 6 H THR 6 6.407 -13.694 9.473 31 HA THR 6 HA THR 6 4.280 -11.713 8.974 32 HB THR 6 HB THR 6 4.806 -10.855 11.209 33 HG21 THR 6 HG21 THR 6 4.727 -13.817 11.614 34 HG22 THR 6 HG22 THR 6 3.412 -13.065 10.712 35 HG23 THR 6 HG23 THR 6 3.749 -12.558 12.367 36 H THR 7 H THR 7 4.747 -9.723 8.221 37 HA THR 7 HA THR 7 7.573 -9.126 7.646 38 HB THR 7 HB THR 7 6.750 -7.586 5.973 39 HG21 THR 7 HG21 THR 7 6.655 -10.158 5.611 40 HG22 THR 7 HG22 THR 7 5.786 -9.127 4.474 41 HG23 THR 7 HG23 THR 7 4.908 -9.962 5.756 42 H LYS 8 H LYS 8 8.608 -7.451 8.577 43 HA LYS 8 HA LYS 8 7.302 -6.058 10.751 44 HB2 LYS 8 HB2 LYS 8 10.099 -6.184 9.670 45 HB3 LYS 8 HB3 LYS 8 9.647 -4.903 10.796 46 HG2 LYS 8 HG2 LYS 8 8.845 -7.689 11.498 47 HG3 LYS 8 HG3 LYS 8 10.552 -7.270 11.656 48 HD2 LYS 8 HD2 LYS 8 10.006 -5.397 13.111 49 HD3 LYS 8 HD3 LYS 8 8.281 -5.675 12.874 50 HE2 LYS 8 HE2 LYS 8 9.643 -8.095 13.748 51 HE3 LYS 8 HE3 LYS 8 9.864 -6.775 14.896 52 HZ1 LYS 8 HZ1 LYS 8 7.510 -6.459 15.007 53 HZ2 LYS 8 HZ2 LYS 8 7.841 -8.101 15.297 54 HZ3 LYS 8 HZ3 LYS 8 7.240 -7.606 13.786 55 H LYS 9 H LYS 9 7.797 -3.623 10.943 56 HA LYS 9 HA LYS 9 6.387 -2.265 8.907 57 HB2 LYS 9 HB2 LYS 9 7.893 -1.482 11.354 58 HB3 LYS 9 HB3 LYS 9 7.573 -0.224 10.160 59 HG2 LYS 9 HG2 LYS 9 5.754 -0.359 11.834 60 HG3 LYS 9 HG3 LYS 9 5.173 -0.762 10.218 61 HD2 LYS 9 HD2 LYS 9 4.830 -2.969 10.740 62 HD3 LYS 9 HD3 LYS 9 6.197 -3.023 11.854 63 HE2 LYS 9 HE2 LYS 9 3.543 -1.662 12.406 64 HE3 LYS 9 HE3 LYS 9 4.046 -3.219 13.062 65 HZ1 LYS 9 HZ1 LYS 9 5.087 -0.532 13.656 66 HZ2 LYS 9 HZ2 LYS 9 6.091 -1.888 13.860 67 HZ3 LYS 9 HZ3 LYS 9 4.635 -1.768 14.727 68 HA PRO 10 HA PRO 10 9.140 -1.226 5.683 69 HB2 PRO 10 HB2 PRO 10 8.962 1.631 6.004 70 HB3 PRO 10 HB3 PRO 10 8.150 0.611 4.807 71 HG2 PRO 10 HG2 PRO 10 7.114 1.754 7.286 72 HG3 PRO 10 HG3 PRO 10 6.243 1.124 5.882 73 HD2 PRO 10 HD2 PRO 10 6.309 -0.159 8.301 74 HD3 PRO 10 HD3 PRO 10 6.119 -1.013 6.753 75 HN1 NH2 11 HN1 NH2 11 11.224 0.829 8.571 76 HN2 NH2 11 HN2 NH2 11 9.749 0.060 8.913 77 H1 A2G 101 H1 A2G 12 2.877 -15.907 9.544 78 H2 A2G 101 H2 A2G 12 2.453 -15.690 11.980 79 HN2 A2G 101 HN2 A2G 12 3.706 -18.271 11.246 80 H3 A2G 101 H3 A2G 12 1.150 -18.407 11.669 81 HO3 A2G 101 HO3 A2G 12 0.678 -18.024 13.887 82 H4 A2G 101 H4 A2G 12 -0.936 -17.286 12.178 83 HO4 A2G 101 HO4 A2G 12 0.239 -15.650 13.481 84 H5 A2G 101 H5 A2G 12 -0.343 -17.270 9.809 85 H6 A2G 101 H6 A2G 12 -1.194 -14.444 10.084 86 H8 A2G 101 H8 A2G 12 5.870 -18.293 13.356 87 H8A A2G 101 H8A A2G 12 6.754 -17.094 12.410 88 H8B A2G 101 H8B A2G 12 5.910 -18.412 11.596 89 H14 A2G 101 H14 A2G 12 -1.960 -15.769 9.208 90 H15 A2G 101 H15 A2G 12 -2.443 -16.598 11.410 91 H1 A2G 102 H1 A2G 13 6.434 -12.688 5.931 92 H2 A2G 102 H2 A2G 13 5.991 -11.736 3.742 93 HN2 A2G 102 HN2 A2G 13 3.775 -13.522 4.581 94 H3 A2G 102 H3 A2G 13 5.288 -14.541 2.832 95 HO3 A2G 102 HO3 A2G 13 5.304 -11.975 1.700 96 H4 A2G 102 H4 A2G 13 7.340 -14.508 1.534 97 HO4 A2G 102 HO4 A2G 13 7.532 -11.911 2.617 98 H5 A2G 102 H5 A2G 13 7.491 -15.345 3.848 99 H6 A2G 102 H6 A2G 13 9.992 -13.773 3.714 100 H8 A2G 102 H8 A2G 13 1.453 -11.790 3.595 101 H8A A2G 102 H8A A2G 13 1.689 -10.845 5.066 102 H8B A2G 102 H8B A2G 13 1.853 -12.601 5.109 103 H14 A2G 102 H14 A2G 13 9.765 -15.521 3.751 104 H15 A2G 102 H15 A2G 13 9.674 -15.579 1.639 105 H1 A2G 103 H1 A2G 14 7.029 -10.125 11.257 106 H2 A2G 103 H2 A2G 14 8.924 -10.364 12.828 107 HN2 A2G 103 HN2 A2G 14 8.945 -12.421 10.697 108 H3 A2G 103 H3 A2G 14 8.028 -13.254 12.981 109 HO3 A2G 103 HO3 A2G 14 9.716 -12.944 14.776 110 H4 A2G 103 H4 A2G 14 7.467 -12.763 15.296 111 HO4 A2G 103 HO4 A2G 14 9.082 -11.132 15.550 112 H5 A2G 103 H5 A2G 14 5.685 -12.340 13.675 113 H6 A2G 103 H6 A2G 14 5.422 -9.871 15.281 114 H8 A2G 103 H8 A2G 14 11.819 -12.290 10.094 115 H8A A2G 103 H8A A2G 14 11.666 -10.786 9.186 116 H8B A2G 103 H8B A2G 14 10.457 -12.054 8.999 117 H14 A2G 103 H14 A2G 14 4.349 -11.268 15.186 118 H15 A2G 103 H15 A2G 14 5.694 -12.375 16.569 119 H1 A2G 104 H1 A2G 15 5.706 -5.835 7.037 120 H2 A2G 104 H2 A2G 15 3.637 -4.529 6.833 121 HN2 A2G 104 HN2 A2G 15 3.266 -6.878 8.597 122 H3 A2G 104 H3 A2G 15 2.304 -7.186 6.239 123 HO3 A2G 104 HO3 A2G 15 1.090 -4.734 5.811 124 H4 A2G 104 H4 A2G 15 1.972 -6.332 3.987 125 HO4 A2G 104 HO4 A2G 15 2.155 -4.050 4.986 126 H5 A2G 104 H5 A2G 15 4.076 -7.531 4.395 127 H6 A2G 104 H6 A2G 15 5.044 -5.239 2.765 128 H8 A2G 104 H8 A2G 15 1.971 -5.570 10.863 129 H8A A2G 104 H8A A2G 15 3.440 -4.747 11.387 130 H8B A2G 104 H8B A2G 15 3.514 -6.423 10.841 131 H14 A2G 104 H14 A2G 15 5.010 -6.958 2.376 132 H15 A2G 104 H15 A2G 15 3.272 -6.547 1.308 Start of MODEL 9 1 H1 ACE 1 H1 ACE 1 2.078 -23.999 2.606 2 H2 ACE 1 H2 ACE 1 1.427 -25.541 3.162 3 H3 ACE 1 H3 ACE 1 3.019 -25.011 3.700 4 HA PRO 2 HA PRO 2 -0.662 -23.955 6.665 5 HB2 PRO 2 HB2 PRO 2 1.007 -25.058 8.736 6 HB3 PRO 2 HB3 PRO 2 -0.562 -25.644 8.166 7 HG2 PRO 2 HG2 PRO 2 2.115 -26.619 7.557 8 HG3 PRO 2 HG3 PRO 2 0.550 -27.414 7.347 9 HD2 PRO 2 HD2 PRO 2 2.085 -26.510 5.254 10 HD3 PRO 2 HD3 PRO 2 0.315 -26.669 5.179 11 HA PRO 3 HA PRO 3 3.114 -21.930 9.214 12 HB2 PRO 3 HB2 PRO 3 5.139 -21.700 7.176 13 HB3 PRO 3 HB3 PRO 3 5.241 -22.538 8.732 14 HG2 PRO 3 HG2 PRO 3 4.747 -23.621 6.059 15 HG3 PRO 3 HG3 PRO 3 5.312 -24.437 7.525 16 HD2 PRO 3 HD2 PRO 3 2.818 -24.832 6.495 17 HD3 PRO 3 HD3 PRO 3 3.166 -24.944 8.235 18 H THR 4 H THR 4 3.651 -19.681 9.077 19 HA THR 4 HA THR 4 2.917 -18.270 6.612 20 HB THR 4 HB THR 4 1.427 -16.742 7.831 21 HG21 THR 4 HG21 THR 4 0.457 -19.494 8.528 22 HG22 THR 4 HG22 THR 4 0.697 -19.059 6.837 23 HG23 THR 4 HG23 THR 4 -0.438 -18.145 7.829 24 H THR 5 H THR 5 4.073 -16.413 6.302 25 HA THR 5 HA THR 5 6.057 -15.754 8.384 26 HB THR 5 HB THR 5 7.369 -14.750 6.565 27 HG21 THR 5 HG21 THR 5 7.117 -17.376 7.057 28 HG22 THR 5 HG22 THR 5 8.155 -16.763 5.770 29 HG23 THR 5 HG23 THR 5 6.540 -17.361 5.391 30 H THR 6 H THR 6 6.280 -13.703 9.163 31 HA THR 6 HA THR 6 4.132 -11.808 8.457 32 HB THR 6 HB THR 6 4.577 -10.780 10.649 33 HG21 THR 6 HG21 THR 6 4.521 -13.695 11.308 34 HG22 THR 6 HG22 THR 6 3.243 -13.074 10.265 35 HG23 THR 6 HG23 THR 6 3.473 -12.396 11.877 36 H THR 7 H THR 7 4.621 -9.616 8.058 37 HA THR 7 HA THR 7 7.375 -9.173 7.117 38 HB THR 7 HB THR 7 6.428 -7.328 5.796 39 HG21 THR 7 HG21 THR 7 5.503 -8.690 4.180 40 HG22 THR 7 HG22 THR 7 4.472 -9.538 5.333 41 HG23 THR 7 HG23 THR 7 6.188 -9.932 5.227 42 H LYS 8 H LYS 8 8.682 -7.753 8.076 43 HA LYS 8 HA LYS 8 7.841 -6.477 10.528 44 HB2 LYS 8 HB2 LYS 8 10.048 -7.499 10.401 45 HB3 LYS 8 HB3 LYS 8 10.487 -6.439 9.062 46 HG2 LYS 8 HG2 LYS 8 10.737 -4.600 10.416 47 HG3 LYS 8 HG3 LYS 8 9.486 -5.129 11.542 48 HD2 LYS 8 HD2 LYS 8 12.047 -6.687 11.333 49 HD3 LYS 8 HD3 LYS 8 12.004 -5.203 12.287 50 HE2 LYS 8 HE2 LYS 8 10.596 -6.096 13.871 51 HE3 LYS 8 HE3 LYS 8 9.787 -7.149 12.710 52 HZ1 LYS 8 HZ1 LYS 8 11.342 -8.208 14.416 53 HZ2 LYS 8 HZ2 LYS 8 12.606 -7.592 13.463 54 HZ3 LYS 8 HZ3 LYS 8 11.495 -8.693 12.797 55 H LYS 9 H LYS 9 7.586 -4.314 10.930 56 HA LYS 9 HA LYS 9 6.798 -2.621 8.808 57 HB2 LYS 9 HB2 LYS 9 7.240 -2.311 11.735 58 HB3 LYS 9 HB3 LYS 9 7.170 -0.843 10.759 59 HG2 LYS 9 HG2 LYS 9 5.001 -1.526 9.842 60 HG3 LYS 9 HG3 LYS 9 5.073 -3.035 10.754 61 HD2 LYS 9 HD2 LYS 9 4.125 -1.990 12.505 62 HD3 LYS 9 HD3 LYS 9 5.534 -0.932 12.606 63 HE2 LYS 9 HE2 LYS 9 3.113 -0.467 10.838 64 HE3 LYS 9 HE3 LYS 9 3.454 0.379 12.348 65 HZ1 LYS 9 HZ1 LYS 9 4.862 1.725 11.319 66 HZ2 LYS 9 HZ2 LYS 9 4.311 1.090 9.843 67 HZ3 LYS 9 HZ3 LYS 9 5.690 0.437 10.589 68 HA PRO 10 HA PRO 10 10.298 -0.687 7.053 69 HB2 PRO 10 HB2 PRO 10 9.675 1.992 7.913 70 HB3 PRO 10 HB3 PRO 10 9.432 1.271 6.315 71 HG2 PRO 10 HG2 PRO 10 7.516 1.683 8.490 72 HG3 PRO 10 HG3 PRO 10 7.228 1.446 6.760 73 HD2 PRO 10 HD2 PRO 10 6.634 -0.459 8.608 74 HD3 PRO 10 HD3 PRO 10 7.146 -0.868 6.955 75 HN1 NH2 11 HN1 NH2 11 10.134 -0.466 10.720 76 HN2 NH2 11 HN2 NH2 11 10.571 1.169 10.609 77 H1 A2G 101 H1 A2G 12 2.231 -15.702 9.688 78 H2 A2G 101 H2 A2G 12 1.739 -15.401 12.058 79 HN2 A2G 101 HN2 A2G 12 3.349 -17.846 11.613 80 H3 A2G 101 H3 A2G 12 0.841 -18.293 12.017 81 HO3 A2G 101 HO3 A2G 12 0.678 -18.069 14.126 82 H4 A2G 101 H4 A2G 12 -1.397 -17.404 12.423 83 HO4 A2G 101 HO4 A2G 12 -1.326 -14.929 11.903 84 H5 A2G 101 H5 A2G 12 -0.708 -17.708 10.087 85 H6 A2G 101 H6 A2G 12 -2.082 -15.050 10.035 86 H8 A2G 101 H8 A2G 12 5.226 -17.554 13.795 87 H8A A2G 101 H8A A2G 12 6.125 -16.228 13.058 88 H8B A2G 101 H8B A2G 12 5.607 -17.596 12.074 89 H14 A2G 101 H14 A2G 12 -2.483 -16.533 9.169 90 H15 A2G 101 H15 A2G 12 -3.673 -17.151 10.777 91 H1 A2G 102 H1 A2G 13 6.142 -13.032 5.531 92 H2 A2G 102 H2 A2G 13 5.702 -12.367 3.193 93 HN2 A2G 102 HN2 A2G 13 3.597 -14.137 4.287 94 H3 A2G 102 H3 A2G 13 5.284 -15.334 2.738 95 HO3 A2G 102 HO3 A2G 13 4.266 -13.291 1.534 96 H4 A2G 102 H4 A2G 13 7.289 -15.230 1.368 97 HO4 A2G 102 HO4 A2G 13 7.844 -13.372 0.620 98 H5 A2G 102 H5 A2G 13 7.661 -15.680 3.745 99 H6 A2G 102 H6 A2G 13 9.829 -13.722 3.368 100 H8 A2G 102 H8 A2G 13 1.215 -12.489 3.837 101 H8A A2G 102 H8A A2G 13 1.699 -11.294 5.041 102 H8B A2G 102 H8B A2G 13 1.928 -13.013 5.362 103 H14 A2G 102 H14 A2G 13 9.918 -15.474 3.551 104 H15 A2G 102 H15 A2G 13 9.276 -15.662 1.375 105 H1 A2G 103 H1 A2G 14 6.798 -10.027 10.711 106 H2 A2G 103 H2 A2G 14 8.640 -10.135 12.347 107 HN2 A2G 103 HN2 A2G 14 8.738 -12.371 10.410 108 H3 A2G 103 H3 A2G 14 7.776 -13.017 12.705 109 HO3 A2G 103 HO3 A2G 14 10.062 -11.738 13.105 110 H4 A2G 103 H4 A2G 14 7.086 -12.372 14.937 111 HO4 A2G 103 HO4 A2G 14 7.222 -10.186 15.557 112 H5 A2G 103 H5 A2G 14 5.380 -12.080 13.208 113 H6 A2G 103 H6 A2G 14 5.158 -9.530 14.765 114 H8 A2G 103 H8 A2G 14 11.377 -12.155 9.343 115 H8A A2G 103 H8A A2G 14 11.191 -10.556 8.623 116 H8B A2G 103 H8B A2G 14 9.901 -11.750 8.467 117 H14 A2G 103 H14 A2G 14 3.939 -10.770 14.472 118 H15 A2G 103 H15 A2G 14 4.537 -11.728 16.225 119 H1 A2G 104 H1 A2G 15 5.459 -5.753 7.254 120 H2 A2G 104 H2 A2G 15 3.346 -4.480 7.361 121 HN2 A2G 104 HN2 A2G 15 3.204 -7.033 8.854 122 H3 A2G 104 H3 A2G 15 2.023 -7.096 6.618 123 HO3 A2G 104 HO3 A2G 15 0.882 -5.595 7.957 124 H4 A2G 104 H4 A2G 15 1.548 -6.179 4.449 125 HO4 A2G 104 HO4 A2G 15 2.396 -3.827 5.666 126 H5 A2G 104 H5 A2G 15 3.767 -7.144 4.530 127 H6 A2G 104 H6 A2G 15 4.338 -4.535 3.182 128 H8 A2G 104 H8 A2G 15 2.066 -6.003 11.392 129 H8A A2G 104 H8A A2G 15 3.604 -5.266 11.843 130 H8B A2G 104 H8B A2G 15 3.577 -6.860 11.088 131 H14 A2G 104 H14 A2G 15 4.589 -6.177 2.592 132 H15 A2G 104 H15 A2G 15 2.822 -5.036 1.590 Start of MODEL 10 1 H1 ACE 1 H1 ACE 1 1.169 -24.647 3.809 2 H2 ACE 1 H2 ACE 1 0.356 -23.470 2.778 3 H3 ACE 1 H3 ACE 1 -0.541 -24.842 3.425 4 HA PRO 2 HA PRO 2 -1.945 -22.841 7.054 5 HB2 PRO 2 HB2 PRO 2 -0.347 -24.244 8.996 6 HB3 PRO 2 HB3 PRO 2 -2.049 -24.504 8.584 7 HG2 PRO 2 HG2 PRO 2 0.316 -26.000 7.755 8 HG3 PRO 2 HG3 PRO 2 -1.389 -26.471 7.718 9 HD2 PRO 2 HD2 PRO 2 0.068 -25.913 5.461 10 HD3 PRO 2 HD3 PRO 2 -1.694 -25.694 5.566 11 HA PRO 3 HA PRO 3 2.375 -21.583 9.207 12 HB2 PRO 3 HB2 PRO 3 4.238 -21.832 7.023 13 HB3 PRO 3 HB3 PRO 3 4.281 -22.640 8.597 14 HG2 PRO 3 HG2 PRO 3 3.382 -23.652 6.008 15 HG3 PRO 3 HG3 PRO 3 3.857 -24.537 7.464 16 HD2 PRO 3 HD2 PRO 3 1.269 -24.393 6.586 17 HD3 PRO 3 HD3 PRO 3 1.700 -24.579 8.301 18 H THR 4 H THR 4 3.307 -19.493 8.973 19 HA THR 4 HA THR 4 2.741 -18.018 6.502 20 HB THR 4 HB THR 4 1.628 -16.211 7.738 21 HG21 THR 4 HG21 THR 4 0.407 -18.338 6.845 22 HG22 THR 4 HG22 THR 4 -0.468 -17.254 7.927 23 HG23 THR 4 HG23 THR 4 0.229 -18.749 8.551 24 H THR 5 H THR 5 3.675 -15.750 6.663 25 HA THR 5 HA THR 5 6.039 -15.670 8.424 26 HB THR 5 HB THR 5 7.459 -14.970 6.587 27 HG21 THR 5 HG21 THR 5 6.625 -17.499 6.951 28 HG22 THR 5 HG22 THR 5 7.749 -17.058 5.666 29 HG23 THR 5 HG23 THR 5 6.032 -17.252 5.309 30 H THR 6 H THR 6 6.609 -13.666 9.155 31 HA THR 6 HA THR 6 4.720 -11.488 8.541 32 HB THR 6 HB THR 6 5.310 -10.552 10.690 33 HG21 THR 6 HG21 THR 6 5.168 -13.483 11.304 34 HG22 THR 6 HG22 THR 6 3.830 -12.729 10.437 35 HG23 THR 6 HG23 THR 6 4.283 -12.146 12.038 36 H THR 7 H THR 7 5.764 -9.247 8.866 37 HA THR 7 HA THR 7 8.485 -9.154 7.753 38 HB THR 7 HB THR 7 7.566 -7.221 6.271 39 HG21 THR 7 HG21 THR 7 6.788 -8.971 4.558 40 HG22 THR 7 HG22 THR 7 7.103 -10.169 5.813 41 HG23 THR 7 HG23 THR 7 8.418 -9.164 5.201 42 H LYS 8 H LYS 8 9.593 -7.184 8.127 43 HA LYS 8 HA LYS 8 8.820 -5.894 10.599 44 HB2 LYS 8 HB2 LYS 8 11.188 -5.499 8.755 45 HB3 LYS 8 HB3 LYS 8 10.975 -4.664 10.293 46 HG2 LYS 8 HG2 LYS 8 10.555 -7.506 10.633 47 HG3 LYS 8 HG3 LYS 8 12.128 -7.203 9.894 48 HD2 LYS 8 HD2 LYS 8 11.128 -5.763 12.363 49 HD3 LYS 8 HD3 LYS 8 12.165 -7.188 12.414 50 HE2 LYS 8 HE2 LYS 8 13.994 -5.945 11.988 51 HE3 LYS 8 HE3 LYS 8 13.235 -5.242 10.559 52 HZ1 LYS 8 HZ1 LYS 8 12.580 -4.338 13.299 53 HZ2 LYS 8 HZ2 LYS 8 12.262 -3.551 11.828 54 HZ3 LYS 8 HZ3 LYS 8 13.854 -3.660 12.409 55 H LYS 9 H LYS 9 7.082 -4.566 10.304 56 HA LYS 9 HA LYS 9 7.495 -2.003 9.186 57 HB2 LYS 9 HB2 LYS 9 7.091 -3.675 7.153 58 HB3 LYS 9 HB3 LYS 9 5.404 -3.410 7.595 59 HG2 LYS 9 HG2 LYS 9 5.774 -0.958 7.467 60 HG3 LYS 9 HG3 LYS 9 7.438 -1.251 6.961 61 HD2 LYS 9 HD2 LYS 9 5.639 -2.815 5.335 62 HD3 LYS 9 HD3 LYS 9 5.147 -1.121 5.309 63 HE2 LYS 9 HE2 LYS 9 6.812 -1.639 3.533 64 HE3 LYS 9 HE3 LYS 9 7.412 -0.441 4.679 65 HZ1 LYS 9 HZ1 LYS 9 8.925 -2.389 4.050 66 HZ2 LYS 9 HZ2 LYS 9 7.940 -3.316 5.079 67 HZ3 LYS 9 HZ3 LYS 9 8.794 -1.979 5.690 68 HA PRO 10 HA PRO 10 3.956 -3.212 12.255 69 HB2 PRO 10 HB2 PRO 10 5.082 -1.166 13.943 70 HB3 PRO 10 HB3 PRO 10 4.961 -2.903 14.261 71 HG2 PRO 10 HG2 PRO 10 7.248 -1.332 13.348 72 HG3 PRO 10 HG3 PRO 10 7.202 -2.941 14.083 73 HD2 PRO 10 HD2 PRO 10 7.812 -2.516 11.446 74 HD3 PRO 10 HD3 PRO 10 7.061 -4.014 12.042 75 HN1 NH2 11 HN1 NH2 11 1.916 -0.527 11.607 76 HN2 NH2 11 HN2 NH2 11 2.232 -1.472 12.982 77 H1 A2G 101 H1 A2G 12 2.973 -15.440 9.433 78 H2 A2G 101 H2 A2G 12 2.794 -14.938 11.850 79 HN2 A2G 101 HN2 A2G 12 3.684 -17.713 11.313 80 H3 A2G 101 H3 A2G 12 1.202 -17.511 11.968 81 HO3 A2G 101 HO3 A2G 12 1.125 -15.853 14.097 82 H4 A2G 101 H4 A2G 12 -0.713 -16.125 12.497 83 HO4 A2G 101 HO4 A2G 12 -0.401 -14.205 13.224 84 H5 A2G 101 H5 A2G 12 -0.329 -16.473 10.107 85 H6 A2G 101 H6 A2G 12 -0.916 -13.537 10.246 86 H8 A2G 101 H8 A2G 12 5.818 -18.014 13.249 87 H8A A2G 101 H8A A2G 12 6.904 -16.877 12.450 88 H8B A2G 101 H8B A2G 12 5.964 -18.020 11.490 89 H14 A2G 101 H14 A2G 12 -1.759 -14.804 9.354 90 H15 A2G 101 H15 A2G 12 -1.960 -14.065 12.044 91 H1 A2G 102 H1 A2G 13 6.671 -12.970 5.643 92 H2 A2G 102 H2 A2G 13 6.324 -12.103 3.379 93 HN2 A2G 102 HN2 A2G 13 3.884 -13.429 4.405 94 H3 A2G 102 H3 A2G 13 5.224 -14.854 2.735 95 HO3 A2G 102 HO3 A2G 13 4.279 -13.120 1.607 96 H4 A2G 102 H4 A2G 13 7.193 -15.135 1.338 97 HO4 A2G 102 HO4 A2G 13 8.392 -12.853 2.382 98 H5 A2G 102 H5 A2G 13 7.407 -15.827 3.688 99 H6 A2G 102 H6 A2G 13 10.032 -14.563 3.468 100 H8 A2G 102 H8 A2G 13 2.001 -10.857 4.315 101 H8A A2G 102 H8A A2G 13 2.929 -10.522 5.778 102 H8B A2G 102 H8B A2G 13 2.437 -12.174 5.404 103 H14 A2G 102 H14 A2G 13 9.605 -16.273 3.380 104 H15 A2G 102 H15 A2G 13 10.224 -15.901 1.371 105 H1 A2G 103 H1 A2G 14 7.554 -9.881 10.618 106 H2 A2G 103 H2 A2G 14 9.507 -10.040 12.101 107 HN2 A2G 103 HN2 A2G 14 9.350 -12.334 10.234 108 H3 A2G 103 H3 A2G 14 8.557 -12.869 12.626 109 HO3 A2G 103 HO3 A2G 14 10.680 -12.909 12.880 110 H4 A2G 103 H4 A2G 14 8.084 -12.112 14.888 111 HO4 A2G 103 HO4 A2G 14 8.680 -10.196 15.580 112 H5 A2G 103 H5 A2G 14 6.263 -11.855 13.264 113 H6 A2G 103 H6 A2G 14 6.042 -9.244 14.636 114 H8 A2G 103 H8 A2G 14 12.077 -12.376 9.207 115 H8A A2G 103 H8A A2G 14 11.911 -10.855 8.330 116 H8B A2G 103 H8B A2G 14 10.595 -12.029 8.317 117 H14 A2G 103 H14 A2G 14 4.967 -10.641 14.698 118 H15 A2G 103 H15 A2G 14 6.699 -11.644 15.978 119 H1 A2G 104 H1 A2G 15 5.906 -6.121 7.475 120 H2 A2G 104 H2 A2G 15 3.557 -5.488 7.283 121 HN2 A2G 104 HN2 A2G 15 3.837 -8.226 8.378 122 H3 A2G 104 H3 A2G 15 3.210 -8.149 5.879 123 HO3 A2G 104 HO3 A2G 15 1.148 -7.772 6.085 124 H4 A2G 104 H4 A2G 15 2.705 -6.812 3.901 125 HO4 A2G 104 HO4 A2G 15 3.633 -4.452 4.865 126 H5 A2G 104 H5 A2G 15 5.055 -7.425 4.228 127 H6 A2G 104 H6 A2G 15 5.462 -4.611 3.460 128 H8 A2G 104 H8 A2G 15 2.256 -7.986 10.859 129 H8A A2G 104 H8A A2G 15 3.424 -6.882 11.584 130 H8B A2G 104 H8B A2G 15 3.984 -8.270 10.651 131 H14 A2G 104 H14 A2G 15 5.756 -6.082 2.533 132 H15 A2G 104 H15 A2G 15 3.936 -4.531 1.943 Start of MODEL 11 1 H1 ACE 1 H1 ACE 1 -0.981 -20.173 13.258 2 H2 ACE 1 H2 ACE 1 -0.448 -18.719 12.414 3 H3 ACE 1 H3 ACE 1 0.618 -19.503 13.581 4 HA PRO 2 HA PRO 2 0.208 -22.875 10.032 5 HB2 PRO 2 HB2 PRO 2 -0.853 -21.440 7.770 6 HB3 PRO 2 HB3 PRO 2 -1.541 -22.848 8.595 7 HG2 PRO 2 HG2 PRO 2 -2.239 -20.023 8.839 8 HG3 PRO 2 HG3 PRO 2 -3.169 -21.460 9.288 9 HD2 PRO 2 HD2 PRO 2 -2.055 -19.765 11.128 10 HD3 PRO 2 HD3 PRO 2 -2.326 -21.495 11.440 11 HA PRO 3 HA PRO 3 4.044 -21.757 8.217 12 HB2 PRO 3 HB2 PRO 3 3.404 -22.516 5.513 13 HB3 PRO 3 HB3 PRO 3 4.367 -23.406 6.702 14 HG2 PRO 3 HG2 PRO 3 1.588 -23.792 5.896 15 HG3 PRO 3 HG3 PRO 3 2.687 -24.898 6.730 16 HD2 PRO 3 HD2 PRO 3 0.554 -23.691 7.958 17 HD3 PRO 3 HD3 PRO 3 2.026 -24.186 8.826 18 H THR 4 H THR 4 3.912 -19.501 8.383 19 HA THR 4 HA THR 4 3.453 -18.125 5.838 20 HB THR 4 HB THR 4 2.149 -16.338 6.967 21 HG21 THR 4 HG21 THR 4 0.101 -17.461 6.814 22 HG22 THR 4 HG22 THR 4 0.749 -18.938 7.528 23 HG23 THR 4 HG23 THR 4 1.162 -18.507 5.869 24 H THR 5 H THR 5 4.181 -15.781 6.028 25 HA THR 5 HA THR 5 6.376 -15.482 7.971 26 HB THR 5 HB THR 5 7.885 -14.708 6.236 27 HG21 THR 5 HG21 THR 5 7.189 -17.294 6.600 28 HG22 THR 5 HG22 THR 5 8.428 -16.793 5.450 29 HG23 THR 5 HG23 THR 5 6.788 -17.119 4.892 30 H THR 6 H THR 6 6.713 -13.430 8.710 31 HA THR 6 HA THR 6 4.736 -11.408 7.868 32 HB THR 6 HB THR 6 5.044 -10.398 10.041 33 HG21 THR 6 HG21 THR 6 3.747 -12.667 9.710 34 HG22 THR 6 HG22 THR 6 4.029 -12.048 11.337 35 HG23 THR 6 HG23 THR 6 5.056 -13.328 10.690 36 H THR 7 H THR 7 5.433 -9.160 7.803 37 HA THR 7 HA THR 7 8.311 -8.766 7.323 38 HB THR 7 HB THR 7 7.827 -7.515 5.254 39 HG21 THR 7 HG21 THR 7 8.082 -10.155 5.447 40 HG22 THR 7 HG22 THR 7 7.699 -9.392 3.904 41 HG23 THR 7 HG23 THR 7 6.417 -10.124 4.866 42 H LYS 8 H LYS 8 9.033 -6.639 7.633 43 HA LYS 8 HA LYS 8 9.096 -4.684 8.857 44 HB2 LYS 8 HB2 LYS 8 7.674 -4.250 6.673 45 HB3 LYS 8 HB3 LYS 8 6.360 -4.042 7.832 46 HG2 LYS 8 HG2 LYS 8 7.184 -1.876 7.756 47 HG3 LYS 8 HG3 LYS 8 8.145 -2.531 9.082 48 HD2 LYS 8 HD2 LYS 8 9.840 -1.633 7.790 49 HD3 LYS 8 HD3 LYS 8 9.757 -3.248 7.086 50 HE2 LYS 8 HE2 LYS 8 8.104 -2.322 5.404 51 HE3 LYS 8 HE3 LYS 8 8.490 -0.715 6.019 52 HZ1 LYS 8 HZ1 LYS 8 10.657 -2.525 5.195 53 HZ2 LYS 8 HZ2 LYS 8 10.633 -0.827 5.239 54 HZ3 LYS 8 HZ3 LYS 8 9.796 -1.659 4.018 55 H LYS 9 H LYS 9 6.596 -3.261 9.677 56 HA LYS 9 HA LYS 9 5.860 -3.046 11.930 57 HB2 LYS 9 HB2 LYS 9 4.063 -3.819 10.218 58 HB3 LYS 9 HB3 LYS 9 4.169 -5.369 11.053 59 HG2 LYS 9 HG2 LYS 9 3.717 -4.220 13.207 60 HG3 LYS 9 HG3 LYS 9 3.545 -2.695 12.338 61 HD2 LYS 9 HD2 LYS 9 1.416 -3.185 11.801 62 HD3 LYS 9 HD3 LYS 9 1.914 -4.717 11.083 63 HE2 LYS 9 HE2 LYS 9 0.339 -5.123 12.921 64 HE3 LYS 9 HE3 LYS 9 1.934 -5.750 13.338 65 HZ1 LYS 9 HZ1 LYS 9 1.802 -3.065 14.118 66 HZ2 LYS 9 HZ2 LYS 9 1.955 -4.442 15.102 67 HZ3 LYS 9 HZ3 LYS 9 0.415 -3.843 14.705 68 HA PRO 10 HA PRO 10 8.449 -6.772 13.365 69 HB2 PRO 10 HB2 PRO 10 9.334 -4.977 15.439 70 HB3 PRO 10 HB3 PRO 10 10.284 -5.684 14.124 71 HG2 PRO 10 HG2 PRO 10 9.129 -3.014 14.357 72 HG3 PRO 10 HG3 PRO 10 10.416 -3.599 13.295 73 HD2 PRO 10 HD2 PRO 10 7.918 -2.927 12.392 74 HD3 PRO 10 HD3 PRO 10 8.950 -4.135 11.593 75 HN1 NH2 11 HN1 NH2 11 7.566 -4.943 16.526 76 HN2 NH2 11 HN2 NH2 11 5.984 -4.917 15.911 77 H1 A2G 101 H1 A2G 12 3.033 -15.474 8.832 78 H2 A2G 101 H2 A2G 12 2.508 -15.094 11.203 79 HN2 A2G 101 HN2 A2G 12 3.771 -17.736 10.765 80 H3 A2G 101 H3 A2G 12 1.221 -17.836 11.102 81 HO3 A2G 101 HO3 A2G 12 0.513 -16.846 13.240 82 H4 A2G 101 H4 A2G 12 -0.894 -16.678 11.406 83 HO4 A2G 101 HO4 A2G 12 0.520 -14.801 12.367 84 H5 A2G 101 H5 A2G 12 -0.156 -16.982 9.084 85 H6 A2G 101 H6 A2G 12 -1.134 -14.169 9.017 86 H8 A2G 101 H8 A2G 12 5.720 -17.675 12.936 87 H8A A2G 101 H8A A2G 12 6.755 -16.490 12.142 88 H8B A2G 101 H8B A2G 12 6.031 -17.797 11.205 89 H14 A2G 101 H14 A2G 12 -1.754 -15.593 8.181 90 H15 A2G 101 H15 A2G 12 -2.982 -16.053 9.835 91 H1 A2G 102 H1 A2G 13 7.281 -12.866 4.925 92 H2 A2G 102 H2 A2G 13 7.017 -12.263 2.595 93 HN2 A2G 102 HN2 A2G 13 4.524 -13.493 3.612 94 H3 A2G 102 H3 A2G 13 5.957 -15.069 2.175 95 HO3 A2G 102 HO3 A2G 13 5.219 -13.140 0.905 96 H4 A2G 102 H4 A2G 13 7.993 -15.435 0.877 97 HO4 A2G 102 HO4 A2G 13 9.587 -13.552 1.498 98 H5 A2G 102 H5 A2G 13 8.056 -15.971 3.282 99 H6 A2G 102 H6 A2G 13 10.698 -14.722 3.099 100 H8 A2G 102 H8 A2G 13 2.572 -11.524 2.856 101 H8A A2G 102 H8A A2G 13 3.162 -10.254 3.928 102 H8B A2G 102 H8B A2G 13 3.057 -11.917 4.506 103 H14 A2G 102 H14 A2G 13 10.271 -16.432 3.160 104 H15 A2G 102 H15 A2G 13 11.255 -15.544 1.148 105 H1 A2G 103 H1 A2G 14 7.203 -9.552 10.165 106 H2 A2G 103 H2 A2G 14 9.030 -9.520 11.809 107 HN2 A2G 103 HN2 A2G 14 9.236 -11.845 9.987 108 H3 A2G 103 H3 A2G 14 8.297 -12.417 12.310 109 HO3 A2G 103 HO3 A2G 14 10.337 -12.329 12.845 110 H4 A2G 103 H4 A2G 14 7.552 -11.683 14.503 111 HO4 A2G 103 HO4 A2G 14 7.687 -9.001 13.867 112 H5 A2G 103 H5 A2G 14 5.872 -11.608 12.714 113 H6 A2G 103 H6 A2G 14 5.324 -9.017 14.057 114 H8 A2G 103 H8 A2G 14 12.080 -11.594 9.224 115 H8A A2G 103 H8A A2G 14 11.758 -10.178 8.224 116 H8B A2G 103 H8B A2G 14 10.635 -11.538 8.214 117 H14 A2G 103 H14 A2G 14 4.333 -10.473 13.978 118 H15 A2G 103 H15 A2G 14 5.732 -11.421 15.504 119 H1 A2G 104 H1 A2G 15 6.256 -5.844 5.696 120 H2 A2G 104 H2 A2G 15 4.202 -5.021 4.602 121 HN2 A2G 104 HN2 A2G 15 3.648 -7.058 6.679 122 H3 A2G 104 H3 A2G 15 3.565 -7.964 4.254 123 HO3 A2G 104 HO3 A2G 15 1.680 -6.938 4.445 124 H4 A2G 104 H4 A2G 15 3.827 -7.560 1.873 125 HO4 A2G 104 HO4 A2G 15 4.975 -5.120 2.017 126 H5 A2G 104 H5 A2G 15 5.876 -8.178 3.060 127 H6 A2G 104 H6 A2G 15 7.008 -5.997 1.436 128 H8 A2G 104 H8 A2G 15 1.304 -5.655 7.870 129 H8A A2G 104 H8A A2G 15 2.368 -4.585 8.783 130 H8B A2G 104 H8B A2G 15 2.767 -6.295 8.621 131 H14 A2G 104 H14 A2G 15 7.192 -7.742 1.255 132 H15 A2G 104 H15 A2G 15 5.958 -7.328 -0.421 Start of MODEL 12 1 H1 ACE 1 H1 ACE 1 -1.882 -23.383 6.702 2 H2 ACE 1 H2 ACE 1 -2.704 -21.880 6.282 3 H3 ACE 1 H3 ACE 1 -3.209 -22.795 7.703 4 HA PRO 2 HA PRO 2 -0.613 -20.742 10.567 5 HB2 PRO 2 HB2 PRO 2 1.266 -22.865 11.078 6 HB3 PRO 2 HB3 PRO 2 -0.099 -22.347 12.078 7 HG2 PRO 2 HG2 PRO 2 0.109 -24.606 10.241 8 HG3 PRO 2 HG3 PRO 2 -1.042 -24.319 11.554 9 HD2 PRO 2 HD2 PRO 2 -1.733 -24.205 8.906 10 HD3 PRO 2 HD3 PRO 2 -2.563 -23.266 10.169 11 HA PRO 3 HA PRO 3 3.870 -21.605 8.587 12 HB2 PRO 3 HB2 PRO 3 3.207 -22.420 5.905 13 HB3 PRO 3 HB3 PRO 3 4.141 -23.306 7.118 14 HG2 PRO 3 HG2 PRO 3 1.350 -23.625 6.321 15 HG3 PRO 3 HG3 PRO 3 2.416 -24.746 7.183 16 HD2 PRO 3 HD2 PRO 3 0.324 -23.447 8.384 17 HD3 PRO 3 HD3 PRO 3 1.786 -23.957 9.261 18 H THR 4 H THR 4 3.676 -19.319 8.739 19 HA THR 4 HA THR 4 3.334 -18.004 6.142 20 HB THR 4 HB THR 4 1.968 -16.199 7.188 21 HG21 THR 4 HG21 THR 4 -0.055 -17.324 6.895 22 HG22 THR 4 HG22 THR 4 0.533 -18.790 7.680 23 HG23 THR 4 HG23 THR 4 1.065 -18.391 6.046 24 H THR 5 H THR 5 4.593 -16.180 5.883 25 HA THR 5 HA THR 5 6.553 -15.697 8.035 26 HB THR 5 HB THR 5 7.983 -14.765 6.244 27 HG21 THR 5 HG21 THR 5 8.744 -16.853 5.859 28 HG22 THR 5 HG22 THR 5 7.311 -17.259 4.914 29 HG23 THR 5 HG23 THR 5 7.296 -17.451 6.667 30 H THR 6 H THR 6 6.904 -13.666 8.834 31 HA THR 6 HA THR 6 4.934 -11.616 8.048 32 HB THR 6 HB THR 6 5.341 -10.627 10.248 33 HG21 THR 6 HG21 THR 6 4.044 -12.146 11.364 34 HG22 THR 6 HG22 THR 6 5.116 -13.493 10.981 35 HG23 THR 6 HG23 THR 6 3.965 -12.913 9.778 36 H THR 7 H THR 7 5.579 -9.793 7.083 37 HA THR 7 HA THR 7 8.471 -9.345 6.766 38 HB THR 7 HB THR 7 7.870 -7.954 4.856 39 HG21 THR 7 HG21 THR 7 7.850 -10.550 4.761 40 HG22 THR 7 HG22 THR 7 7.122 -9.666 3.420 41 HG23 THR 7 HG23 THR 7 6.097 -10.383 4.663 42 H LYS 8 H LYS 8 9.440 -7.768 7.860 43 HA LYS 8 HA LYS 8 9.715 -6.006 9.323 44 HB2 LYS 8 HB2 LYS 8 8.602 -5.101 6.914 45 HB3 LYS 8 HB3 LYS 8 7.699 -4.273 8.183 46 HG2 LYS 8 HG2 LYS 8 9.883 -3.639 9.244 47 HG3 LYS 8 HG3 LYS 8 10.710 -4.333 7.850 48 HD2 LYS 8 HD2 LYS 8 9.725 -2.742 6.356 49 HD3 LYS 8 HD3 LYS 8 8.594 -2.187 7.591 50 HE2 LYS 8 HE2 LYS 8 10.402 -0.567 7.400 51 HE3 LYS 8 HE3 LYS 8 10.542 -1.397 8.951 52 HZ1 LYS 8 HZ1 LYS 8 12.488 -1.185 7.042 53 HZ2 LYS 8 HZ2 LYS 8 11.922 -2.779 6.873 54 HZ3 LYS 8 HZ3 LYS 8 12.500 -2.233 8.375 55 H LYS 9 H LYS 9 8.272 -4.181 10.523 56 HA LYS 9 HA LYS 9 5.647 -4.857 11.313 57 HB2 LYS 9 HB2 LYS 9 7.579 -6.549 12.447 58 HB3 LYS 9 HB3 LYS 9 7.154 -5.403 13.719 59 HG2 LYS 9 HG2 LYS 9 5.182 -7.030 12.087 60 HG3 LYS 9 HG3 LYS 9 5.650 -7.361 13.754 61 HD2 LYS 9 HD2 LYS 9 4.938 -4.721 13.910 62 HD3 LYS 9 HD3 LYS 9 3.811 -5.314 12.690 63 HE2 LYS 9 HE2 LYS 9 4.241 -6.512 15.443 64 HE3 LYS 9 HE3 LYS 9 2.840 -5.573 14.930 65 HZ1 LYS 9 HZ1 LYS 9 2.518 -8.016 14.842 66 HZ2 LYS 9 HZ2 LYS 9 3.707 -8.095 13.630 67 HZ3 LYS 9 HZ3 LYS 9 2.264 -7.241 13.355 68 HA PRO 10 HA PRO 10 7.984 -0.770 12.436 69 HB2 PRO 10 HB2 PRO 10 5.806 0.538 11.079 70 HB3 PRO 10 HB3 PRO 10 7.522 0.532 10.644 71 HG2 PRO 10 HG2 PRO 10 5.318 -1.033 9.541 72 HG3 PRO 10 HG3 PRO 10 6.914 -0.691 8.858 73 HD2 PRO 10 HD2 PRO 10 6.181 -3.163 9.785 74 HD3 PRO 10 HD3 PRO 10 7.862 -2.583 9.785 75 HN1 NH2 11 HN1 NH2 11 4.127 -1.324 13.060 76 HN2 NH2 11 HN2 NH2 11 4.359 0.315 12.685 77 H1 A2G 101 H1 A2G 12 2.761 -15.341 9.114 78 H2 A2G 101 H2 A2G 12 2.073 -14.954 11.440 79 HN2 A2G 101 HN2 A2G 12 3.333 -17.613 11.102 80 H3 A2G 101 H3 A2G 12 0.770 -17.684 11.248 81 HO3 A2G 101 HO3 A2G 12 0.726 -17.534 13.324 82 H4 A2G 101 H4 A2G 12 -1.350 -16.506 11.401 83 HO4 A2G 101 HO4 A2G 12 -1.456 -14.374 11.702 84 H5 A2G 101 H5 A2G 12 -0.452 -16.819 9.137 85 H6 A2G 101 H6 A2G 12 -1.420 -13.986 9.077 86 H8 A2G 101 H8 A2G 12 5.105 -17.881 12.911 87 H8A A2G 101 H8A A2G 12 6.089 -16.424 13.047 88 H8B A2G 101 H8B A2G 12 5.901 -17.219 11.484 89 H14 A2G 101 H14 A2G 12 -1.919 -15.360 8.089 90 H15 A2G 101 H15 A2G 12 -2.489 -15.007 10.845 91 H1 A2G 102 H1 A2G 13 6.864 -13.023 5.151 92 H2 A2G 102 H2 A2G 13 6.488 -12.356 2.815 93 HN2 A2G 102 HN2 A2G 13 4.310 -14.095 3.814 94 H3 A2G 102 H3 A2G 13 6.001 -15.304 2.310 95 HO3 A2G 102 HO3 A2G 13 6.394 -13.596 0.222 96 H4 A2G 102 H4 A2G 13 8.059 -15.259 1.020 97 HO4 A2G 102 HO4 A2G 13 9.317 -13.185 1.408 98 H5 A2G 102 H5 A2G 13 8.300 -15.749 3.413 99 H6 A2G 102 H6 A2G 13 10.553 -13.843 2.912 100 H8 A2G 102 H8 A2G 13 1.996 -12.598 3.079 101 H8A A2G 102 H8A A2G 13 2.282 -11.216 4.135 102 H8B A2G 102 H8B A2G 13 2.540 -12.853 4.737 103 H14 A2G 102 H14 A2G 13 10.604 -15.515 3.472 104 H15 A2G 102 H15 A2G 13 10.069 -16.175 1.374 105 H1 A2G 103 H1 A2G 14 7.547 -9.953 10.562 106 H2 A2G 103 H2 A2G 14 9.241 -10.198 12.325 107 HN2 A2G 103 HN2 A2G 14 9.430 -12.363 10.313 108 H3 A2G 103 H3 A2G 14 8.282 -13.068 12.503 109 HO3 A2G 103 HO3 A2G 14 10.487 -11.690 13.332 110 H4 A2G 103 H4 A2G 14 7.423 -12.476 14.698 111 HO4 A2G 103 HO4 A2G 14 8.175 -9.814 14.100 112 H5 A2G 103 H5 A2G 14 5.891 -12.124 12.811 113 H6 A2G 103 H6 A2G 14 5.294 -9.630 14.231 114 H8 A2G 103 H8 A2G 14 12.390 -12.182 9.763 115 H8A A2G 103 H8A A2G 14 12.101 -10.712 8.832 116 H8B A2G 103 H8B A2G 14 10.975 -12.065 8.717 117 H14 A2G 103 H14 A2G 14 4.365 -11.128 14.160 118 H15 A2G 103 H15 A2G 14 6.700 -10.765 15.723 119 H1 A2G 104 H1 A2G 15 6.684 -6.129 5.588 120 H2 A2G 104 H2 A2G 15 4.637 -4.902 5.001 121 HN2 A2G 104 HN2 A2G 15 4.104 -7.057 6.960 122 H3 A2G 104 H3 A2G 15 3.422 -7.641 4.550 123 HO3 A2G 104 HO3 A2G 15 2.214 -5.658 5.346 124 H4 A2G 104 H4 A2G 15 3.346 -7.043 2.195 125 HO4 A2G 104 HO4 A2G 15 4.581 -5.056 1.655 126 H5 A2G 104 H5 A2G 15 5.409 -8.130 2.965 127 H6 A2G 104 H6 A2G 15 6.410 -5.926 1.196 128 H8 A2G 104 H8 A2G 15 2.484 -5.635 8.857 129 H8A A2G 104 H8A A2G 15 3.771 -4.599 9.473 130 H8B A2G 104 H8B A2G 15 4.083 -6.309 9.174 131 H14 A2G 104 H14 A2G 15 6.666 -7.666 1.064 132 H15 A2G 104 H15 A2G 15 5.065 -7.668 -0.265 Start of MODEL 13 1 H1 ACE 1 H1 ACE 1 -1.117 -19.485 11.550 2 H2 ACE 1 H2 ACE 1 -0.217 -20.334 12.807 3 H3 ACE 1 H3 ACE 1 -1.721 -21.013 12.188 4 HA PRO 2 HA PRO 2 0.046 -23.447 9.010 5 HB2 PRO 2 HB2 PRO 2 -0.723 -21.865 6.727 6 HB3 PRO 2 HB3 PRO 2 -1.470 -23.352 7.329 7 HG2 PRO 2 HG2 PRO 2 -2.297 -20.570 7.693 8 HG3 PRO 2 HG3 PRO 2 -3.235 -22.061 7.864 9 HD2 PRO 2 HD2 PRO 2 -2.497 -20.534 10.002 10 HD3 PRO 2 HD3 PRO 2 -2.706 -22.297 10.108 11 HA PRO 3 HA PRO 3 4.055 -22.079 7.863 12 HB2 PRO 3 HB2 PRO 3 3.864 -22.665 5.051 13 HB3 PRO 3 HB3 PRO 3 4.668 -23.608 6.314 14 HG2 PRO 3 HG2 PRO 3 2.079 -24.031 5.048 15 HG3 PRO 3 HG3 PRO 3 3.068 -25.149 5.996 16 HD2 PRO 3 HD2 PRO 3 0.706 -24.062 6.896 17 HD3 PRO 3 HD3 PRO 3 2.010 -24.614 7.969 18 H THR 4 H THR 4 3.911 -19.846 8.109 19 HA THR 4 HA THR 4 3.670 -18.330 5.611 20 HB THR 4 HB THR 4 2.255 -16.621 6.745 21 HG21 THR 4 HG21 THR 4 1.421 -18.714 5.381 22 HG22 THR 4 HG22 THR 4 0.257 -17.707 6.241 23 HG23 THR 4 HG23 THR 4 0.796 -19.231 6.946 24 H THR 5 H THR 5 4.750 -16.312 5.654 25 HA THR 5 HA THR 5 6.741 -16.107 7.821 26 HB THR 5 HB THR 5 8.082 -14.805 6.205 27 HG21 THR 5 HG21 THR 5 7.520 -17.555 6.146 28 HG22 THR 5 HG22 THR 5 8.927 -16.755 5.448 29 HG23 THR 5 HG23 THR 5 7.498 -17.049 4.456 30 H THR 6 H THR 6 7.012 -14.230 8.959 31 HA THR 6 HA THR 6 4.919 -12.187 8.582 32 HB THR 6 HB THR 6 5.269 -11.593 10.919 33 HG21 THR 6 HG21 THR 6 4.332 -13.487 11.879 34 HG22 THR 6 HG22 THR 6 5.429 -14.584 11.039 35 HG23 THR 6 HG23 THR 6 4.079 -13.851 10.172 36 H THR 7 H THR 7 5.446 -10.181 7.932 37 HA THR 7 HA THR 7 8.310 -9.561 7.644 38 HB THR 7 HB THR 7 7.549 -7.821 6.059 39 HG21 THR 7 HG21 THR 7 6.093 -10.352 5.339 40 HG22 THR 7 HG22 THR 7 7.850 -10.351 5.483 41 HG23 THR 7 HG23 THR 7 7.061 -9.301 4.307 42 H LYS 8 H LYS 8 9.116 -7.489 8.239 43 HA LYS 8 HA LYS 8 7.967 -6.497 10.704 44 HB2 LYS 8 HB2 LYS 8 10.528 -6.317 9.305 45 HB3 LYS 8 HB3 LYS 8 10.034 -4.787 10.029 46 HG2 LYS 8 HG2 LYS 8 9.940 -7.394 11.555 47 HG3 LYS 8 HG3 LYS 8 11.371 -6.362 11.539 48 HD2 LYS 8 HD2 LYS 8 10.438 -4.875 12.963 49 HD3 LYS 8 HD3 LYS 8 8.915 -4.864 12.073 50 HE2 LYS 8 HE2 LYS 8 9.724 -7.150 13.881 51 HE3 LYS 8 HE3 LYS 8 8.795 -5.766 14.458 52 HZ1 LYS 8 HZ1 LYS 8 7.376 -7.619 13.774 53 HZ2 LYS 8 HZ2 LYS 8 8.006 -7.525 12.200 54 HZ3 LYS 8 HZ3 LYS 8 7.099 -6.235 12.834 55 H LYS 9 H LYS 9 6.654 -4.803 10.917 56 HA LYS 9 HA LYS 9 5.554 -3.450 8.695 57 HB2 LYS 9 HB2 LYS 9 4.052 -2.816 10.232 58 HB3 LYS 9 HB3 LYS 9 5.028 -3.630 11.455 59 HG2 LYS 9 HG2 LYS 9 6.393 -1.558 11.700 60 HG3 LYS 9 HG3 LYS 9 5.322 -0.750 10.555 61 HD2 LYS 9 HD2 LYS 9 4.101 -2.127 12.918 62 HD3 LYS 9 HD3 LYS 9 4.889 -0.569 13.166 63 HE2 LYS 9 HE2 LYS 9 2.710 -1.119 11.130 64 HE3 LYS 9 HE3 LYS 9 2.480 -0.291 12.670 65 HZ1 LYS 9 HZ1 LYS 9 2.760 1.369 11.038 66 HZ2 LYS 9 HZ2 LYS 9 4.112 0.595 10.361 67 HZ3 LYS 9 HZ3 LYS 9 4.222 1.312 11.897 68 HA PRO 10 HA PRO 10 8.191 -0.164 7.560 69 HB2 PRO 10 HB2 PRO 10 6.362 1.970 8.194 70 HB3 PRO 10 HB3 PRO 10 6.741 1.287 6.605 71 HG2 PRO 10 HG2 PRO 10 4.446 0.796 8.343 72 HG3 PRO 10 HG3 PRO 10 4.640 0.488 6.610 73 HD2 PRO 10 HD2 PRO 10 4.539 -1.508 8.486 74 HD3 PRO 10 HD3 PRO 10 5.413 -1.663 6.946 75 HN1 NH2 11 HN1 NH2 11 9.957 1.117 9.788 76 HN2 NH2 11 HN2 NH2 11 9.070 2.299 8.952 77 H1 A2G 101 H1 A2G 12 2.780 -15.869 8.813 78 H2 A2G 101 H2 A2G 12 1.903 -15.731 11.081 79 HN2 A2G 101 HN2 A2G 12 3.287 -18.313 10.655 80 H3 A2G 101 H3 A2G 12 0.717 -18.469 10.558 81 HO3 A2G 101 HO3 A2G 12 -0.108 -18.184 12.626 82 H4 A2G 101 H4 A2G 12 -1.445 -17.340 10.689 83 HO4 A2G 101 HO4 A2G 12 0.122 -15.350 11.636 84 H5 A2G 101 H5 A2G 12 -0.394 -17.514 8.479 85 H6 A2G 101 H6 A2G 12 -1.406 -14.708 8.458 86 H8 A2G 101 H8 A2G 12 4.973 -18.366 13.030 87 H8A A2G 101 H8A A2G 12 6.031 -17.070 12.470 88 H8B A2G 101 H8B A2G 12 5.489 -18.314 11.343 89 H14 A2G 101 H14 A2G 12 -1.861 -16.072 7.437 90 H15 A2G 101 H15 A2G 12 -2.819 -15.298 9.919 91 H1 A2G 102 H1 A2G 13 6.828 -12.947 5.445 92 H2 A2G 102 H2 A2G 13 6.401 -11.918 3.253 93 HN2 A2G 102 HN2 A2G 13 4.333 -13.922 3.943 94 H3 A2G 102 H3 A2G 13 6.086 -14.767 2.269 95 HO3 A2G 102 HO3 A2G 13 5.537 -13.844 0.404 96 H4 A2G 102 H4 A2G 13 8.123 -14.379 1.001 97 HO4 A2G 102 HO4 A2G 13 7.927 -12.168 0.679 98 H5 A2G 102 H5 A2G 13 8.427 -15.245 3.276 99 H6 A2G 102 H6 A2G 13 10.563 -13.187 3.225 100 H8 A2G 102 H8 A2G 13 1.907 -12.294 3.499 101 H8A A2G 102 H8A A2G 13 2.218 -11.316 4.933 102 H8B A2G 102 H8B A2G 13 2.498 -13.057 4.976 103 H14 A2G 102 H14 A2G 13 10.698 -14.944 3.268 104 H15 A2G 102 H15 A2G 13 10.699 -13.243 1.143 105 H1 A2G 103 H1 A2G 14 7.424 -10.696 11.123 106 H2 A2G 103 H2 A2G 14 9.284 -10.910 12.714 107 HN2 A2G 103 HN2 A2G 14 9.518 -12.862 10.498 108 H3 A2G 103 H3 A2G 14 8.642 -13.871 12.686 109 HO3 A2G 103 HO3 A2G 14 10.216 -13.109 14.660 110 H4 A2G 103 H4 A2G 14 7.924 -13.576 14.989 111 HO4 A2G 103 HO4 A2G 14 9.018 -11.066 14.554 112 H5 A2G 103 H5 A2G 14 6.205 -13.228 13.270 113 H6 A2G 103 H6 A2G 14 5.534 -10.948 15.013 114 H8 A2G 103 H8 A2G 14 12.435 -12.292 9.862 115 H8A A2G 103 H8A A2G 14 11.895 -10.875 8.960 116 H8B A2G 103 H8B A2G 14 10.972 -12.375 8.881 117 H14 A2G 103 H14 A2G 14 4.687 -12.478 14.792 118 H15 A2G 103 H15 A2G 14 6.275 -13.453 16.117 119 H1 A2G 104 H1 A2G 15 6.103 -6.349 7.151 120 H2 A2G 104 H2 A2G 15 3.925 -5.305 6.723 121 HN2 A2G 104 HN2 A2G 15 3.612 -7.898 8.120 122 H3 A2G 104 H3 A2G 15 3.105 -8.008 5.622 123 HO3 A2G 104 HO3 A2G 15 1.507 -6.694 6.687 124 H4 A2G 104 H4 A2G 15 3.029 -6.927 3.447 125 HO4 A2G 104 HO4 A2G 15 2.544 -4.826 4.326 126 H5 A2G 104 H5 A2G 15 5.188 -7.901 4.102 127 H6 A2G 104 H6 A2G 15 5.969 -5.275 2.891 128 H8 A2G 104 H8 A2G 15 1.813 -6.942 10.164 129 H8A A2G 104 H8A A2G 15 3.032 -6.140 11.153 130 H8B A2G 104 H8B A2G 15 3.357 -7.737 10.477 131 H14 A2G 104 H14 A2G 15 6.424 -6.908 2.405 132 H15 A2G 104 H15 A2G 15 4.682 -7.063 1.230 Start of MODEL 14 1 H1 ACE 1 H1 ACE 1 -4.283 -23.644 8.161 2 H2 ACE 1 H2 ACE 1 -3.911 -21.926 8.016 3 H3 ACE 1 H3 ACE 1 -4.043 -22.669 9.610 4 HA PRO 2 HA PRO 2 0.070 -24.288 7.731 5 HB2 PRO 2 HB2 PRO 2 0.660 -22.837 5.312 6 HB3 PRO 2 HB3 PRO 2 0.338 -24.567 5.501 7 HG2 PRO 2 HG2 PRO 2 -1.308 -22.757 4.217 8 HG3 PRO 2 HG3 PRO 2 -1.793 -24.350 4.816 9 HD2 PRO 2 HD2 PRO 2 -2.296 -21.660 6.003 10 HD3 PRO 2 HD3 PRO 2 -3.277 -23.141 6.096 11 HA PRO 3 HA PRO 3 2.819 -21.342 9.475 12 HB2 PRO 3 HB2 PRO 3 4.863 -21.472 7.448 13 HB3 PRO 3 HB3 PRO 3 4.852 -22.239 9.043 14 HG2 PRO 3 HG2 PRO 3 4.254 -23.383 6.421 15 HG3 PRO 3 HG3 PRO 3 4.689 -24.191 7.935 16 HD2 PRO 3 HD2 PRO 3 2.177 -24.301 6.857 17 HD3 PRO 3 HD3 PRO 3 2.486 -24.411 8.606 18 H THR 4 H THR 4 3.602 -19.178 9.237 19 HA THR 4 HA THR 4 3.107 -17.832 6.680 20 HB THR 4 HB THR 4 1.797 -16.047 7.797 21 HG21 THR 4 HG21 THR 4 0.830 -18.274 6.770 22 HG22 THR 4 HG22 THR 4 -0.232 -17.182 7.660 23 HG23 THR 4 HG23 THR 4 0.409 -18.625 8.446 24 H THR 5 H THR 5 4.513 -16.198 6.292 25 HA THR 5 HA THR 5 6.462 -15.594 8.423 26 HB THR 5 HB THR 5 8.005 -14.993 6.651 27 HG21 THR 5 HG21 THR 5 8.485 -17.168 6.318 28 HG22 THR 5 HG22 THR 5 7.071 -17.366 5.281 29 HG23 THR 5 HG23 THR 5 6.919 -17.566 7.027 30 H THR 6 H THR 6 6.895 -13.510 9.026 31 HA THR 6 HA THR 6 5.015 -11.470 8.026 32 HB THR 6 HB THR 6 5.381 -10.311 10.128 33 HG21 THR 6 HG21 THR 6 4.283 -11.822 11.555 34 HG22 THR 6 HG22 THR 6 5.148 -13.212 10.899 35 HG23 THR 6 HG23 THR 6 3.881 -12.434 9.951 36 H THR 7 H THR 7 5.795 -9.301 7.700 37 HA THR 7 HA THR 7 8.700 -9.043 7.309 38 HB THR 7 HB THR 7 8.381 -8.069 5.090 39 HG21 THR 7 HG21 THR 7 6.850 -10.676 5.223 40 HG22 THR 7 HG22 THR 7 8.602 -10.583 5.406 41 HG23 THR 7 HG23 THR 7 7.844 -10.079 3.895 42 H LYS 8 H LYS 8 9.402 -7.244 8.250 43 HA LYS 8 HA LYS 8 9.500 -5.054 8.965 44 HB2 LYS 8 HB2 LYS 8 8.094 -4.794 6.708 45 HB3 LYS 8 HB3 LYS 8 6.821 -4.377 7.856 46 HG2 LYS 8 HG2 LYS 8 8.322 -2.692 8.887 47 HG3 LYS 8 HG3 LYS 8 9.560 -3.085 7.694 48 HD2 LYS 8 HD2 LYS 8 8.268 -2.235 5.901 49 HD3 LYS 8 HD3 LYS 8 6.786 -2.241 6.858 50 HE2 LYS 8 HE2 LYS 8 8.155 0.009 6.453 51 HE3 LYS 8 HE3 LYS 8 7.341 -0.301 7.986 52 HZ1 LYS 8 HZ1 LYS 8 10.051 -1.333 7.691 53 HZ2 LYS 8 HZ2 LYS 8 9.281 -0.675 9.054 54 HZ3 LYS 8 HZ3 LYS 8 9.889 0.349 7.842 55 H LYS 9 H LYS 9 8.341 -3.551 10.473 56 HA LYS 9 HA LYS 9 7.245 -4.988 12.643 57 HB2 LYS 9 HB2 LYS 9 7.669 -2.117 11.975 58 HB3 LYS 9 HB3 LYS 9 6.528 -2.491 13.268 59 HG2 LYS 9 HG2 LYS 9 8.238 -3.826 14.420 60 HG3 LYS 9 HG3 LYS 9 9.381 -3.509 13.114 61 HD2 LYS 9 HD2 LYS 9 9.140 -1.053 13.583 62 HD3 LYS 9 HD3 LYS 9 8.156 -1.466 14.987 63 HE2 LYS 9 HE2 LYS 9 11.002 -2.409 14.528 64 HE3 LYS 9 HE3 LYS 9 10.536 -1.087 15.598 65 HZ1 LYS 9 HZ1 LYS 9 8.980 -3.391 16.132 66 HZ2 LYS 9 HZ2 LYS 9 10.008 -2.528 17.174 67 HZ3 LYS 9 HZ3 LYS 9 10.629 -3.780 16.208 68 HA PRO 10 HA PRO 10 2.960 -5.519 12.006 69 HB2 PRO 10 HB2 PRO 10 2.093 -3.921 14.241 70 HB3 PRO 10 HB3 PRO 10 2.196 -5.684 14.130 71 HG2 PRO 10 HG2 PRO 10 4.027 -3.788 15.388 72 HG3 PRO 10 HG3 PRO 10 3.865 -5.534 15.630 73 HD2 PRO 10 HD2 PRO 10 6.001 -4.390 14.348 74 HD3 PRO 10 HD3 PRO 10 5.427 -6.038 14.003 75 HN1 NH2 11 HN1 NH2 11 1.563 -2.891 10.313 76 HN2 NH2 11 HN2 NH2 11 2.773 -4.042 10.012 77 H1 A2G 101 H1 A2G 12 2.781 -15.180 9.663 78 H2 A2G 101 H2 A2G 12 2.229 -14.720 12.003 79 HN2 A2G 101 HN2 A2G 12 3.339 -17.445 11.687 80 H3 A2G 101 H3 A2G 12 0.799 -17.393 11.959 81 HO3 A2G 101 HO3 A2G 12 0.440 -15.553 13.978 82 H4 A2G 101 H4 A2G 12 -1.260 -16.120 12.168 83 HO4 A2G 101 HO4 A2G 12 0.562 -14.017 12.413 84 H5 A2G 101 H5 A2G 12 -0.476 -16.551 9.879 85 H6 A2G 101 H6 A2G 12 -1.342 -13.692 9.738 86 H8 A2G 101 H8 A2G 12 5.351 -17.623 13.295 87 H8A A2G 101 H8A A2G 12 6.412 -16.231 13.078 88 H8B A2G 101 H8B A2G 12 5.947 -17.209 11.686 89 H14 A2G 101 H14 A2G 12 -1.954 -15.092 8.858 90 H15 A2G 101 H15 A2G 12 -3.011 -13.989 10.958 91 H1 A2G 102 H1 A2G 13 7.206 -13.135 5.549 92 H2 A2G 102 H2 A2G 13 6.900 -12.368 3.236 93 HN2 A2G 102 HN2 A2G 13 4.501 -13.791 4.232 94 H3 A2G 102 H3 A2G 13 5.974 -15.198 2.674 95 HO3 A2G 102 HO3 A2G 13 6.376 -12.926 1.025 96 H4 A2G 102 H4 A2G 13 8.000 -15.430 1.354 97 HO4 A2G 102 HO4 A2G 13 9.175 -13.764 0.847 98 H5 A2G 102 H5 A2G 13 8.190 -16.007 3.734 99 H6 A2G 102 H6 A2G 13 10.730 -14.553 3.487 100 H8 A2G 102 H8 A2G 13 2.527 -11.645 3.208 101 H8A A2G 102 H8A A2G 13 2.849 -10.821 4.735 102 H8B A2G 102 H8B A2G 13 2.713 -12.580 4.692 103 H14 A2G 102 H14 A2G 13 10.436 -16.291 3.561 104 H15 A2G 102 H15 A2G 13 9.960 -14.680 1.278 105 H1 A2G 103 H1 A2G 14 7.578 -9.618 10.226 106 H2 A2G 103 H2 A2G 14 9.427 -9.616 11.844 107 HN2 A2G 103 HN2 A2G 14 9.435 -12.061 10.170 108 H3 A2G 103 H3 A2G 14 8.494 -12.415 12.539 109 HO3 A2G 103 HO3 A2G 14 10.806 -11.711 12.624 110 H4 A2G 103 H4 A2G 14 7.842 -11.488 14.689 111 HO4 A2G 103 HO4 A2G 14 8.308 -9.482 15.248 112 H5 A2G 103 H5 A2G 14 6.142 -11.409 12.919 113 H6 A2G 103 H6 A2G 14 5.926 -8.709 14.207 114 H8 A2G 103 H8 A2G 14 12.149 -12.271 9.580 115 H8A A2G 103 H8A A2G 14 12.364 -10.848 8.559 116 H8B A2G 103 H8B A2G 14 10.967 -11.900 8.324 117 H14 A2G 103 H14 A2G 14 4.695 -9.958 14.019 118 H15 A2G 103 H15 A2G 14 6.203 -11.191 15.491 119 H1 A2G 104 H1 A2G 15 7.038 -6.262 5.222 120 H2 A2G 104 H2 A2G 15 5.027 -5.295 4.186 121 HN2 A2G 104 HN2 A2G 15 4.339 -7.072 6.454 122 H3 A2G 104 H3 A2G 15 3.992 -8.142 4.143 123 HO3 A2G 104 HO3 A2G 15 2.657 -6.388 2.649 124 H4 A2G 104 H4 A2G 15 4.166 -7.994 1.723 125 HO4 A2G 104 HO4 A2G 15 4.786 -6.171 0.730 126 H5 A2G 104 H5 A2G 15 6.171 -8.784 2.897 127 H6 A2G 104 H6 A2G 15 7.064 -6.833 0.763 128 H8 A2G 104 H8 A2G 15 3.311 -6.079 8.221 129 H8A A2G 104 H8A A2G 15 3.111 -4.327 8.238 130 H8B A2G 104 H8B A2G 15 4.688 -5.038 8.582 131 H14 A2G 104 H14 A2G 15 7.761 -8.404 1.152 132 H15 A2G 104 H15 A2G 15 6.386 -8.417 -0.712 Start of MODEL 15 1 H1 ACE 1 H1 ACE 1 -1.651 -25.746 5.236 2 H2 ACE 1 H2 ACE 1 -2.047 -24.081 5.665 3 H3 ACE 1 H3 ACE 1 -2.032 -25.332 6.908 4 HA PRO 2 HA PRO 2 2.677 -25.174 5.554 5 HB2 PRO 2 HB2 PRO 2 2.931 -22.771 3.986 6 HB3 PRO 2 HB3 PRO 2 3.277 -24.438 3.500 7 HG2 PRO 2 HG2 PRO 2 0.936 -22.785 2.943 8 HG3 PRO 2 HG3 PRO 2 1.504 -24.251 2.130 9 HD2 PRO 2 HD2 PRO 2 -0.733 -24.188 3.709 10 HD3 PRO 2 HD3 PRO 2 0.259 -25.646 3.489 11 HA PRO 3 HA PRO 3 3.660 -22.038 8.495 12 HB2 PRO 3 HB2 PRO 3 6.202 -21.232 7.402 13 HB3 PRO 3 HB3 PRO 3 5.887 -22.372 8.719 14 HG2 PRO 3 HG2 PRO 3 6.899 -23.028 6.234 15 HG3 PRO 3 HG3 PRO 3 6.157 -24.157 7.376 16 HD2 PRO 3 HD2 PRO 3 5.001 -22.948 4.908 17 HD3 PRO 3 HD3 PRO 3 4.660 -24.521 5.664 18 H THR 4 H THR 4 2.999 -19.988 8.806 19 HA THR 4 HA THR 4 2.870 -18.182 6.500 20 HB THR 4 HB THR 4 1.344 -16.857 7.886 21 HG21 THR 4 HG21 THR 4 -0.423 -18.279 7.579 22 HG22 THR 4 HG22 THR 4 0.358 -19.597 8.453 23 HG23 THR 4 HG23 THR 4 0.796 -19.270 6.776 24 H THR 5 H THR 5 3.929 -16.255 6.386 25 HA THR 5 HA THR 5 5.950 -15.755 8.478 26 HB THR 5 HB THR 5 7.213 -14.571 6.781 27 HG21 THR 5 HG21 THR 5 6.287 -16.916 5.198 28 HG22 THR 5 HG22 THR 5 6.888 -17.241 6.824 29 HG23 THR 5 HG23 THR 5 7.924 -16.438 5.644 30 H THR 6 H THR 6 6.108 -13.783 9.471 31 HA THR 6 HA THR 6 3.854 -11.935 9.016 32 HB THR 6 HB THR 6 4.174 -11.187 11.288 33 HG21 THR 6 HG21 THR 6 3.081 -13.478 10.791 34 HG22 THR 6 HG22 THR 6 3.574 -13.157 12.454 35 HG23 THR 6 HG23 THR 6 4.574 -14.175 11.417 36 H THR 7 H THR 7 4.307 -9.617 9.279 37 HA THR 7 HA THR 7 7.080 -8.846 8.663 38 HB THR 7 HB THR 7 6.401 -7.465 6.805 39 HG21 THR 7 HG21 THR 7 6.731 -9.958 6.442 40 HG22 THR 7 HG22 THR 7 5.744 -9.150 5.223 41 HG23 THR 7 HG23 THR 7 4.975 -10.116 6.483 42 H LYS 8 H LYS 8 7.496 -6.558 9.001 43 HA LYS 8 HA LYS 8 5.506 -4.949 10.346 44 HB2 LYS 8 HB2 LYS 8 6.774 -4.728 12.448 45 HB3 LYS 8 HB3 LYS 8 6.235 -6.389 12.196 46 HG2 LYS 8 HG2 LYS 8 8.404 -6.942 12.574 47 HG3 LYS 8 HG3 LYS 8 8.671 -6.386 10.922 48 HD2 LYS 8 HD2 LYS 8 10.247 -5.126 12.098 49 HD3 LYS 8 HD3 LYS 8 8.874 -4.020 12.048 50 HE2 LYS 8 HE2 LYS 8 8.173 -4.775 14.287 51 HE3 LYS 8 HE3 LYS 8 9.535 -5.893 14.339 52 HZ1 LYS 8 HZ1 LYS 8 10.232 -3.986 15.482 53 HZ2 LYS 8 HZ2 LYS 8 9.602 -2.934 14.305 54 HZ3 LYS 8 HZ3 LYS 8 10.974 -3.876 13.962 55 H LYS 9 H LYS 9 5.913 -2.845 10.002 56 HA LYS 9 HA LYS 9 6.994 -1.215 8.637 57 HB2 LYS 9 HB2 LYS 9 7.160 -0.760 11.128 58 HB3 LYS 9 HB3 LYS 9 8.798 -1.410 11.053 59 HG2 LYS 9 HG2 LYS 9 9.327 0.264 9.268 60 HG3 LYS 9 HG3 LYS 9 7.725 0.965 9.503 61 HD2 LYS 9 HD2 LYS 9 8.820 2.295 11.001 62 HD3 LYS 9 HD3 LYS 9 8.601 0.910 12.072 63 HE2 LYS 9 HE2 LYS 9 10.819 0.039 11.356 64 HE3 LYS 9 HE3 LYS 9 11.042 1.479 10.363 65 HZ1 LYS 9 HZ1 LYS 9 11.108 1.191 13.267 66 HZ2 LYS 9 HZ2 LYS 9 10.448 2.630 12.647 67 HZ3 LYS 9 HZ3 LYS 9 12.039 2.184 12.253 68 HA PRO 10 HA PRO 10 10.473 -3.839 7.075 69 HB2 PRO 10 HB2 PRO 10 9.353 -3.595 4.430 70 HB3 PRO 10 HB3 PRO 10 9.495 -5.049 5.430 71 HG2 PRO 10 HG2 PRO 10 7.131 -3.795 4.748 72 HG3 PRO 10 HG3 PRO 10 7.346 -4.940 6.080 73 HD2 PRO 10 HD2 PRO 10 7.129 -1.966 6.169 74 HD3 PRO 10 HD3 PRO 10 6.646 -3.174 7.383 75 HN1 NH2 11 HN1 NH2 11 9.871 -0.619 7.072 76 HN2 NH2 11 HN2 NH2 11 11.409 -0.304 6.429 77 H1 A2G 101 H1 A2G 12 2.473 -16.062 9.784 78 H2 A2G 101 H2 A2G 12 1.968 -15.903 12.185 79 HN2 A2G 101 HN2 A2G 12 3.381 -18.424 11.535 80 H3 A2G 101 H3 A2G 12 0.853 -18.704 11.882 81 HO3 A2G 101 HO3 A2G 12 1.449 -16.995 13.998 82 H4 A2G 101 H4 A2G 12 -1.323 -17.711 12.306 83 HO4 A2G 101 HO4 A2G 12 -1.172 -15.941 13.433 84 H5 A2G 101 H5 A2G 12 -0.612 -17.783 9.958 85 H6 A2G 101 H6 A2G 12 -1.818 -15.047 10.342 86 H8 A2G 101 H8 A2G 12 5.457 -18.546 13.240 87 H8A A2G 101 H8A A2G 12 6.310 -17.019 13.015 88 H8B A2G 101 H8B A2G 12 5.823 -17.971 11.613 89 H14 A2G 101 H14 A2G 12 -2.194 -16.258 9.115 90 H15 A2G 101 H15 A2G 12 -2.790 -17.539 11.154 91 H1 A2G 102 H1 A2G 13 6.081 -12.685 6.087 92 H2 A2G 102 H2 A2G 13 5.506 -11.590 3.963 93 HN2 A2G 102 HN2 A2G 13 3.394 -13.481 4.819 94 H3 A2G 102 H3 A2G 13 4.917 -14.391 2.965 95 HO3 A2G 102 HO3 A2G 13 3.838 -12.242 2.255 96 H4 A2G 102 H4 A2G 13 6.848 -14.109 1.518 97 HO4 A2G 102 HO4 A2G 13 7.282 -11.653 2.860 98 H5 A2G 102 H5 A2G 13 7.298 -15.039 3.745 99 H6 A2G 102 H6 A2G 13 9.554 -13.119 3.480 100 H8 A2G 102 H8 A2G 13 1.042 -11.750 4.528 101 H8A A2G 102 H8A A2G 13 1.478 -10.756 5.918 102 H8B A2G 102 H8B A2G 13 1.680 -12.507 5.988 103 H14 A2G 102 H14 A2G 13 9.582 -14.880 3.558 104 H15 A2G 102 H15 A2G 13 8.747 -14.881 1.410 105 H1 A2G 103 H1 A2G 14 6.170 -10.076 11.408 106 H2 A2G 103 H2 A2G 14 8.158 -9.974 12.850 107 HN2 A2G 103 HN2 A2G 14 8.461 -11.995 10.706 108 H3 A2G 103 H3 A2G 14 7.894 -12.989 13.007 109 HO3 A2G 103 HO3 A2G 14 9.677 -11.108 14.153 110 H4 A2G 103 H4 A2G 14 7.324 -12.656 15.346 111 HO4 A2G 103 HO4 A2G 14 8.334 -10.845 15.942 112 H5 A2G 103 H5 A2G 14 5.447 -12.614 13.763 113 H6 A2G 103 H6 A2G 14 4.827 -10.322 15.587 114 H8 A2G 103 H8 A2G 14 11.046 -11.404 9.751 115 H8A A2G 103 H8A A2G 14 10.728 -9.806 9.076 116 H8B A2G 103 H8B A2G 14 9.586 -11.123 8.801 117 H14 A2G 103 H14 A2G 14 3.884 -11.776 15.260 118 H15 A2G 103 H15 A2G 14 5.305 -12.954 16.509 119 H1 A2G 104 H1 A2G 15 5.041 -5.833 7.576 120 H2 A2G 104 H2 A2G 15 2.884 -4.760 7.090 121 HN2 A2G 104 HN2 A2G 15 2.570 -7.101 8.877 122 H3 A2G 104 H3 A2G 15 1.923 -7.558 6.429 123 HO3 A2G 104 HO3 A2G 15 0.610 -5.104 5.996 124 H4 A2G 104 H4 A2G 15 1.771 -6.789 4.128 125 HO4 A2G 104 HO4 A2G 15 1.653 -4.737 3.811 126 H5 A2G 104 H5 A2G 15 3.933 -7.735 4.809 127 H6 A2G 104 H6 A2G 15 4.924 -5.425 3.262 128 H8 A2G 104 H8 A2G 15 0.854 -5.793 10.983 129 H8A A2G 104 H8A A2G 15 2.283 -4.961 11.596 130 H8B A2G 104 H8B A2G 15 2.401 -6.638 11.064 131 H14 A2G 104 H14 A2G 15 4.942 -7.140 2.853 132 H15 A2G 104 H15 A2G 15 3.542 -5.984 1.491 Start of MODEL 16 1 H1 ACE 1 H1 ACE 1 -1.254 -24.776 3.478 2 H2 ACE 1 H2 ACE 1 -1.532 -23.047 3.690 3 H3 ACE 1 H3 ACE 1 -2.135 -24.192 4.889 4 HA PRO 2 HA PRO 2 2.719 -24.724 5.312 5 HB2 PRO 2 HB2 PRO 2 3.850 -22.493 3.883 6 HB3 PRO 2 HB3 PRO 2 4.104 -24.220 3.593 7 HG2 PRO 2 HG2 PRO 2 2.370 -22.333 2.193 8 HG3 PRO 2 HG3 PRO 2 2.972 -23.913 1.674 9 HD2 PRO 2 HD2 PRO 2 0.356 -23.456 2.343 10 HD3 PRO 2 HD3 PRO 2 1.144 -25.040 2.529 11 HA PRO 3 HA PRO 3 3.030 -21.960 8.700 12 HB2 PRO 3 HB2 PRO 3 5.699 -21.007 8.180 13 HB3 PRO 3 HB3 PRO 3 5.179 -22.220 9.359 14 HG2 PRO 3 HG2 PRO 3 6.387 -22.583 6.727 15 HG3 PRO 3 HG3 PRO 3 6.268 -23.715 8.080 16 HD2 PRO 3 HD2 PRO 3 4.831 -23.995 5.765 17 HD3 PRO 3 HD3 PRO 3 4.264 -24.596 7.340 18 H THR 4 H THR 4 2.716 -19.788 9.184 19 HA THR 4 HA THR 4 2.523 -17.998 6.871 20 HB THR 4 HB THR 4 1.135 -16.601 8.311 21 HG21 THR 4 HG21 THR 4 0.176 -19.345 8.998 22 HG22 THR 4 HG22 THR 4 0.377 -18.950 7.291 23 HG23 THR 4 HG23 THR 4 -0.710 -17.992 8.295 24 H THR 5 H THR 5 3.765 -16.225 6.602 25 HA THR 5 HA THR 5 5.855 -15.733 8.625 26 HB THR 5 HB THR 5 7.126 -14.690 6.804 27 HG21 THR 5 HG21 THR 5 6.212 -17.159 5.453 28 HG22 THR 5 HG22 THR 5 6.694 -17.358 7.137 29 HG23 THR 5 HG23 THR 5 7.832 -16.693 5.968 30 H THR 6 H THR 6 6.174 -13.714 9.478 31 HA THR 6 HA THR 6 4.035 -11.753 8.954 32 HB THR 6 HB THR 6 4.619 -10.816 11.155 33 HG21 THR 6 HG21 THR 6 4.476 -13.761 11.650 34 HG22 THR 6 HG22 THR 6 3.168 -13.006 10.739 35 HG23 THR 6 HG23 THR 6 3.535 -12.457 12.374 36 H THR 7 H THR 7 4.517 -9.597 8.544 37 HA THR 7 HA THR 7 7.248 -9.122 7.553 38 HB THR 7 HB THR 7 6.277 -7.304 6.255 39 HG21 THR 7 HG21 THR 7 4.246 -9.479 5.935 40 HG22 THR 7 HG22 THR 7 5.945 -9.878 5.687 41 HG23 THR 7 HG23 THR 7 5.179 -8.630 4.703 42 H LYS 8 H LYS 8 8.595 -7.870 8.667 43 HA LYS 8 HA LYS 8 7.685 -6.491 11.042 44 HB2 LYS 8 HB2 LYS 8 9.892 -7.742 10.811 45 HB3 LYS 8 HB3 LYS 8 10.447 -6.385 9.830 46 HG2 LYS 8 HG2 LYS 8 11.138 -5.964 12.104 47 HG3 LYS 8 HG3 LYS 8 9.814 -4.858 11.737 48 HD2 LYS 8 HD2 LYS 8 8.446 -5.808 13.272 49 HD3 LYS 8 HD3 LYS 8 8.907 -7.443 12.793 50 HE2 LYS 8 HE2 LYS 8 9.599 -6.940 15.123 51 HE3 LYS 8 HE3 LYS 8 10.986 -7.259 14.082 52 HZ1 LYS 8 HZ1 LYS 8 10.196 -4.817 15.406 53 HZ2 LYS 8 HZ2 LYS 8 10.663 -4.613 13.785 54 HZ3 LYS 8 HZ3 LYS 8 11.731 -5.329 14.897 55 H LYS 9 H LYS 9 6.261 -5.221 9.321 56 HA LYS 9 HA LYS 9 6.089 -3.348 7.863 57 HB2 LYS 9 HB2 LYS 9 5.529 -2.895 10.362 58 HB3 LYS 9 HB3 LYS 9 7.032 -1.972 10.363 59 HG2 LYS 9 HG2 LYS 9 6.212 -0.626 8.466 60 HG3 LYS 9 HG3 LYS 9 4.706 -1.546 8.465 61 HD2 LYS 9 HD2 LYS 9 3.879 -0.122 9.996 62 HD3 LYS 9 HD3 LYS 9 5.113 -0.675 11.129 63 HE2 LYS 9 HE2 LYS 9 6.702 0.982 10.114 64 HE3 LYS 9 HE3 LYS 9 5.366 1.600 9.143 65 HZ1 LYS 9 HZ1 LYS 9 4.255 2.364 11.013 66 HZ2 LYS 9 HZ2 LYS 9 5.876 2.740 11.354 67 HZ3 LYS 9 HZ3 LYS 9 5.144 1.389 12.078 68 HA PRO 10 HA PRO 10 10.797 -3.162 7.193 69 HB2 PRO 10 HB2 PRO 10 10.094 -3.042 4.402 70 HB3 PRO 10 HB3 PRO 10 10.946 -4.334 5.262 71 HG2 PRO 10 HG2 PRO 10 8.146 -4.171 4.452 72 HG3 PRO 10 HG3 PRO 10 9.112 -5.583 4.901 73 HD2 PRO 10 HD2 PRO 10 7.119 -4.568 6.484 74 HD3 PRO 10 HD3 PRO 10 8.529 -5.439 7.132 75 HN1 NH2 11 HN1 NH2 11 11.729 -1.268 5.345 76 HN2 NH2 11 HN2 NH2 11 11.296 0.074 6.289 77 H1 A2G 101 H1 A2G 12 2.434 -15.780 10.081 78 H2 A2G 101 H2 A2G 12 2.157 -15.514 12.505 79 HN2 A2G 101 HN2 A2G 12 3.406 -18.111 11.823 80 H3 A2G 101 H3 A2G 12 0.919 -18.278 12.435 81 HO3 A2G 101 HO3 A2G 12 1.450 -16.379 14.462 82 H4 A2G 101 H4 A2G 12 -1.181 -17.191 12.981 83 HO4 A2G 101 HO4 A2G 12 -0.068 -14.665 12.570 84 H5 A2G 101 H5 A2G 12 -0.687 -17.368 10.586 85 H6 A2G 101 H6 A2G 12 -1.699 -14.659 10.417 86 H8 A2G 101 H8 A2G 12 5.670 -18.067 13.701 87 H8A A2G 101 H8A A2G 12 6.512 -16.810 12.794 88 H8B A2G 101 H8B A2G 12 5.690 -18.114 11.938 89 H14 A2G 101 H14 A2G 12 -2.554 -16.178 10.146 90 H15 A2G 101 H15 A2G 12 -2.702 -16.334 12.471 91 H1 A2G 102 H1 A2G 13 5.915 -12.877 5.945 92 H2 A2G 102 H2 A2G 13 5.367 -12.024 3.706 93 HN2 A2G 102 HN2 A2G 13 3.276 -13.862 4.716 94 H3 A2G 102 H3 A2G 13 4.849 -14.924 2.995 95 HO3 A2G 102 HO3 A2G 13 4.077 -12.579 1.971 96 H4 A2G 102 H4 A2G 13 6.814 -14.773 1.578 97 HO4 A2G 102 HO4 A2G 13 6.697 -12.090 2.390 98 H5 A2G 102 H5 A2G 13 7.254 -15.433 3.897 99 H6 A2G 102 H6 A2G 13 9.409 -13.426 3.295 100 H8 A2G 102 H8 A2G 13 0.867 -11.733 4.284 101 H8A A2G 102 H8A A2G 13 1.476 -11.340 5.892 102 H8B A2G 102 H8B A2G 13 1.398 -13.022 5.364 103 H14 A2G 102 H14 A2G 13 9.565 -15.089 3.860 104 H15 A2G 102 H15 A2G 13 9.137 -15.829 1.855 105 H1 A2G 103 H1 A2G 14 6.868 -10.145 11.149 106 H2 A2G 103 H2 A2G 14 8.773 -10.367 12.686 107 HN2 A2G 103 HN2 A2G 14 8.684 -12.582 10.722 108 H3 A2G 103 H3 A2G 14 7.820 -13.221 13.057 109 HO3 A2G 103 HO3 A2G 14 9.673 -12.059 14.730 110 H4 A2G 103 H4 A2G 14 7.256 -12.567 15.329 111 HO4 A2G 103 HO4 A2G 14 8.277 -10.913 16.076 112 H5 A2G 103 H5 A2G 14 5.498 -12.241 13.646 113 H6 A2G 103 H6 A2G 14 5.074 -9.713 15.045 114 H8 A2G 103 H8 A2G 14 11.686 -12.354 9.895 115 H8A A2G 103 H8A A2G 14 11.090 -11.083 8.827 116 H8B A2G 103 H8B A2G 14 10.133 -12.543 9.081 117 H14 A2G 103 H14 A2G 14 4.178 -11.226 15.181 118 H15 A2G 103 H15 A2G 14 6.729 -10.851 16.337 119 H1 A2G 104 H1 A2G 15 5.453 -5.678 7.707 120 H2 A2G 104 H2 A2G 15 3.415 -4.316 7.888 121 HN2 A2G 104 HN2 A2G 15 3.193 -6.845 9.412 122 H3 A2G 104 H3 A2G 15 1.942 -6.866 7.168 123 HO3 A2G 104 HO3 A2G 15 1.260 -4.565 8.369 124 H4 A2G 104 H4 A2G 15 1.391 -5.779 5.070 125 HO4 A2G 104 HO4 A2G 15 3.119 -3.661 5.705 126 H5 A2G 104 H5 A2G 15 3.508 -7.015 5.073 127 H6 A2G 104 H6 A2G 15 4.654 -4.882 3.572 128 H8 A2G 104 H8 A2G 15 2.337 -5.381 12.170 129 H8A A2G 104 H8A A2G 15 4.100 -5.352 12.236 130 H8B A2G 104 H8B A2G 15 3.265 -6.754 11.568 131 H14 A2G 104 H14 A2G 15 3.756 -6.271 2.960 132 H15 A2G 104 H15 A2G 15 2.935 -3.669 3.408
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