NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
625058 | 6anf | 30333 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA1 H00 1 HA1 H00 1 2.353 -8.137 0.325 2 HA2 H00 1 HA2 H00 1 2.007 -6.832 -0.811 3 HB1 H00 1 HB1 H00 1 0.940 -6.621 1.964 4 HB2 H00 1 HB2 H00 1 0.159 -7.747 0.848 5 HG1 H00 1 HG1 H00 1 0.570 -5.333 -0.556 6 HG2 H00 1 HG2 H00 1 -0.112 -4.911 1.016 7 H THR 2 HN THR 2 3.555 -5.348 -0.872 8 HA THR 2 HA THR 2 5.496 -5.104 1.229 9 HB THR 2 HB THR 2 6.525 -3.405 -0.221 10 HG1 THR 2 HG1 THR 2 5.487 -2.815 -2.167 11 HG21 THR 2 HG21 THR 2 6.920 -4.779 -2.209 12 HG22 THR 2 HG22 THR 2 5.529 -5.778 -1.793 13 HG23 THR 2 HG23 THR 2 6.945 -5.760 -0.744 14 HA PRO 3 HA PRO 3 3.969 -1.769 3.718 15 HB2 PRO 3 HB2 PRO 3 5.923 0.212 3.142 16 HB3 PRO 3 HB1 PRO 3 5.901 -0.897 4.515 17 HG2 PRO 3 HG2 PRO 3 7.394 -1.079 1.960 18 HG3 PRO 3 HG1 PRO 3 7.816 -1.713 3.559 19 HD2 PRO 3 HD2 PRO 3 6.991 -3.324 1.582 20 HD3 PRO 3 HD1 PRO 3 6.552 -3.628 3.271 21 H ARG 4 HN ARG 4 5.166 -0.681 0.519 22 HA ARG 4 HA ARG 4 3.453 1.597 0.424 23 HB2 ARG 4 HB2 ARG 4 4.847 0.110 -1.802 24 HB3 ARG 4 HB1 ARG 4 3.995 1.636 -2.006 25 HG2 ARG 4 HG2 ARG 4 5.526 2.685 -0.415 26 HG3 ARG 4 HG1 ARG 4 6.353 1.132 -0.256 27 HD2 ARG 4 HD2 ARG 4 6.051 2.579 -2.879 28 HD3 ARG 4 HD1 ARG 4 7.439 2.799 -1.816 29 HE ARG 4 HE ARG 4 6.887 0.055 -2.486 30 HH11 ARG 4 HH11 ARG 4 8.551 2.976 -3.489 31 HH12 ARG 4 HH12 ARG 4 9.751 2.125 -4.401 32 HH21 ARG 4 HH21 ARG 4 8.484 -1.058 -3.693 33 HH22 ARG 4 HH22 ARG 4 9.709 -0.160 -4.527 34 H GLN 5 HN GLN 5 3.297 -1.592 -1.057 35 HA GLN 5 HA GLN 5 0.881 -1.296 -2.431 36 HB2 GLN 5 HB2 GLN 5 2.111 -3.748 -1.186 37 HB3 GLN 5 HB1 GLN 5 0.652 -3.803 -2.168 38 HG2 GLN 5 HG2 GLN 5 1.876 -2.956 -4.076 39 HG3 GLN 5 HG1 GLN 5 3.335 -2.803 -3.095 40 HE21 GLN 5 HE21 GLN 5 2.843 -4.379 -5.498 41 HE22 GLN 5 HE22 GLN 5 3.195 -6.025 -5.074 42 H ALA 6 HN ALA 6 1.420 -2.308 0.926 43 HA ALA 6 HA ALA 6 -1.266 -2.980 1.488 44 HB1 ALA 6 HB1 ALA 6 0.622 -3.718 2.870 45 HB2 ALA 6 HB2 ALA 6 -0.621 -2.916 3.830 46 HB3 ALA 6 HB3 ALA 6 0.863 -2.057 3.414 47 H ARG 7 HN ARG 7 0.534 0.036 1.961 48 HA ARG 7 HA ARG 7 -1.649 1.411 3.176 49 HB2 ARG 7 HB2 ARG 7 0.858 2.457 1.860 50 HB3 ARG 7 HB1 ARG 7 -0.284 3.449 2.761 51 HG2 ARG 7 HG2 ARG 7 0.168 2.239 4.779 52 HG3 ARG 7 HG1 ARG 7 1.152 1.083 3.871 53 HD2 ARG 7 HD2 ARG 7 1.808 4.015 4.004 54 HD3 ARG 7 HD1 ARG 7 2.416 2.855 5.184 55 HE ARG 7 HE ARG 7 3.076 1.738 2.820 56 HH11 ARG 7 HH11 ARG 7 3.626 4.922 4.174 57 HH12 ARG 7 HH12 ARG 7 5.135 5.149 3.362 58 HH21 ARG 7 HH21 ARG 7 5.086 2.048 1.743 59 HH22 ARG 7 HH22 ARG 7 5.967 3.511 1.975 60 H ALA 8 HN ALA 8 -0.367 1.195 -0.062 61 HA ALA 8 HA ALA 8 -2.078 3.078 -1.281 62 HB1 ALA 8 HB1 ALA 8 -0.843 0.613 -2.510 63 HB2 ALA 8 HB2 ALA 8 -0.075 2.195 -2.385 64 HB3 ALA 8 HB3 ALA 8 -1.510 1.988 -3.390 65 H ALA 9 HN ALA 9 -2.402 -0.404 -0.747 66 HA ALA 9 HA ALA 9 -4.882 -0.723 -2.045 67 HB1 ALA 9 HB1 ALA 9 -3.467 -2.625 -1.503 68 HB2 ALA 9 HB2 ALA 9 -5.051 -2.816 -0.750 69 HB3 ALA 9 HB3 ALA 9 -3.669 -2.308 0.219 70 H ARG 10 HN ARG 10 -4.012 0.006 1.299 71 HA ARG 10 HA ARG 10 -6.593 -0.036 2.382 72 HB2 ARG 10 HB2 ARG 10 -4.479 -0.048 3.680 73 HB3 ARG 10 HB1 ARG 10 -4.231 1.634 3.239 74 HG2 ARG 10 HG2 ARG 10 -6.214 2.285 4.443 75 HG3 ARG 10 HG1 ARG 10 -6.571 0.591 4.797 76 HD2 ARG 10 HD2 ARG 10 -4.141 2.118 5.713 77 HD3 ARG 10 HD1 ARG 10 -5.531 1.692 6.713 78 HE ARG 10 HE ARG 10 -4.631 -0.683 5.675 79 HH11 ARG 10 HH11 ARG 10 -3.235 1.863 7.640 80 HH12 ARG 10 HH12 ARG 10 -2.154 0.807 8.478 81 HH21 ARG 10 HH21 ARG 10 -3.205 -2.082 6.771 82 HH22 ARG 10 HH22 ARG 10 -2.135 -1.453 7.970 83 H ALA 11 HN ALA 11 -4.698 2.556 0.905 84 HA ALA 11 HA ALA 11 -6.522 4.642 1.423 85 HB1 ALA 11 HB1 ALA 11 -4.505 4.424 -0.810 86 HB2 ALA 11 HB2 ALA 11 -4.178 5.025 0.815 87 HB3 ALA 11 HB3 ALA 11 -5.279 5.904 -0.244 88 H ALA 12 HN ALA 12 -6.336 2.250 -1.122 89 HA ALA 12 HA ALA 12 -8.356 3.569 -2.721 90 HB1 ALA 12 HB1 ALA 12 -6.536 2.328 -3.801 91 HB2 ALA 12 HB2 ALA 12 -8.116 1.679 -4.236 92 HB3 ALA 12 HB3 ALA 12 -7.113 0.839 -3.053 93 H DAL 13 HN DAL 13 -8.137 0.805 -0.550 94 HA DAL 13 HA DAL 13 -11.076 0.614 -0.639 95 HB1 DAL 13 HB1 DAL 13 -11.005 -0.114 1.682 96 HB2 DAL 13 HB2 DAL 13 -10.231 1.460 1.494 97 HB3 DAL 13 HB3 DAL 13 -9.246 0.009 1.678 98 H CYS 14 HN CYS 14 -8.097 -1.085 -0.961 99 HA CYS 14 HA CYS 14 -9.572 -3.491 -1.658 100 HB2 CYS 14 HB2 CYS 14 -6.627 -3.467 -1.890 101 HB3 CYS 14 HB1 CYS 14 -7.841 -4.031 -3.026 102 HN1 NH2 15 HN1 NH2 15 -10.072 -3.874 0.719 103 HN2 NH2 15 HN2 NH2 15 -9.211 -5.354 0.885 104 HB11 B0I 101 HB12 B0I 15 -1.856 -8.077 -1.731 105 H1 B0I 101 HB11 B0I 15 -0.182 -7.540 -1.599 106 HD1 B0I 101 HD1 B0I 15 -2.497 -4.923 -2.230 107 HD2 B0I 101 HD2 B0I 15 -0.155 -7.928 -4.094 108 HE2 B0I 101 HE2 B0I 15 -0.338 -6.755 -6.247 109 HZ1 B0I 101 HZ1 B0I 15 -1.609 -4.653 -6.395 110 H2 B0I 101 HB21 B0I 15 -6.761 -3.425 -4.923 111 HB21 B0I 101 HB22 B0I 15 -6.740 -1.819 -5.653 112 HD3 B0I 101 HD3 B0I 15 -4.741 -4.466 -4.580 113 HD4 B0I 101 HD4 B0I 15 -4.872 -0.214 -4.652 114 HE4 B0I 101 HE4 B0I 15 -2.426 -0.129 -4.408 115 HZ2 B0I 101 HZ2 B0I 15 -1.131 -2.221 -4.250 Start of MODEL 2 1 HA1 H00 1 HA1 H00 1 5.629 -4.334 6.316 2 HA2 H00 1 HA2 H00 1 5.040 -4.429 4.653 3 HB1 H00 1 HB1 H00 1 3.838 -2.613 6.744 4 HB2 H00 1 HB2 H00 1 3.248 -4.247 6.429 5 HG1 H00 1 HG1 H00 1 3.453 -2.970 3.928 6 HG2 H00 1 HG2 H00 1 2.689 -1.812 5.017 7 H THR 2 HN THR 2 6.124 -3.186 3.274 8 HA THR 2 HA THR 2 7.840 -1.069 4.200 9 HB THR 2 HB THR 2 8.473 -0.836 1.839 10 HG1 THR 2 HG1 THR 2 7.270 -2.629 0.504 11 HG21 THR 2 HG21 THR 2 8.141 -3.743 2.589 12 HG22 THR 2 HG22 THR 2 9.470 -2.700 3.092 13 HG23 THR 2 HG23 THR 2 9.266 -3.107 1.391 14 HA PRO 3 HA PRO 3 5.171 2.471 3.634 15 HB2 PRO 3 HB2 PRO 3 6.705 4.012 1.875 16 HB3 PRO 3 HB1 PRO 3 6.849 4.029 3.637 17 HG2 PRO 3 HG2 PRO 3 8.475 2.548 1.614 18 HG3 PRO 3 HG1 PRO 3 9.002 3.352 3.104 19 HD2 PRO 3 HD2 PRO 3 8.774 0.704 2.998 20 HD3 PRO 3 HD1 PRO 3 8.276 1.596 4.450 21 H ARG 4 HN ARG 4 6.672 1.056 0.795 22 HA ARG 4 HA ARG 4 4.879 2.061 -1.154 23 HB2 ARG 4 HB2 ARG 4 6.488 -0.496 -1.227 24 HB3 ARG 4 HB1 ARG 4 5.811 0.351 -2.610 25 HG2 ARG 4 HG2 ARG 4 7.296 2.231 -2.211 26 HG3 ARG 4 HG1 ARG 4 7.937 1.417 -0.778 27 HD2 ARG 4 HD2 ARG 4 8.798 -0.378 -2.134 28 HD3 ARG 4 HD1 ARG 4 8.069 0.318 -3.580 29 HE ARG 4 HE ARG 4 9.747 2.249 -2.510 30 HH11 ARG 4 HH11 ARG 4 10.047 -0.990 -3.819 31 HH12 ARG 4 HH12 ARG 4 11.626 -0.730 -4.467 32 HH21 ARG 4 HH21 ARG 4 11.854 2.604 -3.373 33 HH22 ARG 4 HH22 ARG 4 12.655 1.322 -4.215 34 H GLN 5 HN GLN 5 5.109 -1.032 0.553 35 HA GLN 5 HA GLN 5 2.772 -2.181 -0.528 36 HB2 GLN 5 HB2 GLN 5 4.290 -2.727 2.018 37 HB3 GLN 5 HB1 GLN 5 2.898 -3.680 1.514 38 HG2 GLN 5 HG2 GLN 5 4.037 -4.454 -0.423 39 HG3 GLN 5 HG1 GLN 5 5.361 -3.317 -0.168 40 HE21 GLN 5 HE21 GLN 5 5.373 -6.237 -0.396 41 HE22 GLN 5 HE22 GLN 5 6.125 -6.817 1.052 42 H ALA 6 HN ALA 6 3.348 -0.219 2.344 43 HA ALA 6 HA ALA 6 0.804 -0.442 3.507 44 HB1 ALA 6 HB1 ALA 6 1.360 1.610 4.712 45 HB2 ALA 6 HB2 ALA 6 2.699 1.908 3.604 46 HB3 ALA 6 HB3 ALA 6 2.738 0.509 4.677 47 H ARG 7 HN ARG 7 2.056 1.771 1.048 48 HA ARG 7 HA ARG 7 -0.229 3.390 0.864 49 HB2 ARG 7 HB2 ARG 7 1.753 4.289 -0.009 50 HB3 ARG 7 HB1 ARG 7 2.130 2.830 -0.911 51 HG2 ARG 7 HG2 ARG 7 1.481 4.592 -2.411 52 HG3 ARG 7 HG1 ARG 7 0.283 3.293 -2.403 53 HD2 ARG 7 HD2 ARG 7 -1.109 4.617 -0.862 54 HD3 ARG 7 HD1 ARG 7 0.071 5.925 -0.942 55 HE ARG 7 HE ARG 7 -0.460 5.807 -3.460 56 HH11 ARG 7 HH11 ARG 7 -2.772 5.250 -0.885 57 HH12 ARG 7 HH12 ARG 7 -4.128 5.824 -1.787 58 HH21 ARG 7 HH21 ARG 7 -2.260 6.569 -4.675 59 HH22 ARG 7 HH22 ARG 7 -3.834 6.578 -3.966 60 H ALA 8 HN ALA 8 0.880 0.574 -0.985 61 HA ALA 8 HA ALA 8 -1.322 0.477 -2.748 62 HB1 ALA 8 HB1 ALA 8 0.808 -0.650 -3.205 63 HB2 ALA 8 HB2 ALA 8 -0.550 -1.772 -3.291 64 HB3 ALA 8 HB3 ALA 8 0.500 -1.765 -1.874 65 H ALA 9 HN ALA 9 -0.703 -0.949 0.406 66 HA ALA 9 HA ALA 9 -2.886 -2.685 0.545 67 HB1 ALA 9 HB1 ALA 9 -1.028 -2.731 2.141 68 HB2 ALA 9 HB2 ALA 9 -2.582 -2.611 2.967 69 HB3 ALA 9 HB3 ALA 9 -1.558 -1.186 2.803 70 H ARG 10 HN ARG 10 -2.589 0.719 1.461 71 HA ARG 10 HA ARG 10 -5.276 0.902 2.392 72 HB2 ARG 10 HB2 ARG 10 -3.337 3.076 1.600 73 HB3 ARG 10 HB1 ARG 10 -4.877 3.342 2.407 74 HG2 ARG 10 HG2 ARG 10 -4.086 2.000 4.311 75 HG3 ARG 10 HG1 ARG 10 -2.528 1.814 3.506 76 HD2 ARG 10 HD2 ARG 10 -2.272 4.269 3.513 77 HD3 ARG 10 HD1 ARG 10 -3.794 4.401 4.393 78 HE ARG 10 HE ARG 10 -1.673 2.777 5.570 79 HH11 ARG 10 HH11 ARG 10 -3.524 5.760 5.598 80 HH12 ARG 10 HH12 ARG 10 -3.008 6.214 7.182 81 HH21 ARG 10 HH21 ARG 10 -0.991 3.374 7.663 82 HH22 ARG 10 HH22 ARG 10 -1.567 4.844 8.374 83 H ALA 11 HN ALA 11 -3.694 1.451 -0.682 84 HA ALA 11 HA ALA 11 -5.861 2.746 -1.961 85 HB1 ALA 11 HB1 ALA 11 -4.705 2.229 -4.041 86 HB2 ALA 11 HB2 ALA 11 -3.656 1.094 -3.191 87 HB3 ALA 11 HB3 ALA 11 -3.568 2.818 -2.827 88 H ALA 12 HN ALA 12 -4.857 -0.656 -1.815 89 HA ALA 12 HA ALA 12 -7.061 -1.563 -3.412 90 HB1 ALA 12 HB1 ALA 12 -4.925 -2.761 -3.373 91 HB2 ALA 12 HB2 ALA 12 -6.262 -3.804 -2.889 92 HB3 ALA 12 HB3 ALA 12 -5.173 -3.143 -1.670 93 H DAL 13 HN DAL 13 -6.511 -1.037 -0.034 94 HA DAL 13 HA DAL 13 -9.294 -1.726 0.476 95 HB1 DAL 13 HB1 DAL 13 -7.289 -0.368 2.273 96 HB2 DAL 13 HB2 DAL 13 -9.017 -0.544 2.582 97 HB3 DAL 13 HB3 DAL 13 -8.458 0.450 1.236 98 H CYS 14 HN CYS 14 -6.082 -2.473 1.770 99 HA CYS 14 HA CYS 14 -6.882 -5.132 2.467 100 HB2 CYS 14 HB2 CYS 14 -4.396 -3.597 2.362 101 HB3 CYS 14 HB1 CYS 14 -4.469 -4.673 3.748 102 HN1 NH2 15 HN1 NH2 15 -7.844 -5.423 5.244 103 HN2 NH2 15 HN2 NH2 15 -8.719 -4.379 4.192 104 HB11 B0I 101 HB12 B0I 15 1.307 -6.063 5.165 105 H1 B0I 101 HB11 B0I 15 2.923 -5.480 4.775 106 HD1 B0I 101 HD1 B0I 15 0.111 -4.721 2.636 107 HD2 B0I 101 HD2 B0I 15 3.392 -7.318 3.299 108 HE2 B0I 101 HE2 B0I 15 3.188 -8.189 1.010 109 HZ1 B0I 101 HZ1 B0I 15 1.431 -7.324 -0.483 110 H2 B0I 101 HB21 B0I 15 -4.685 -5.539 -0.637 111 HB21 B0I 101 HB22 B0I 15 -4.449 -4.016 0.219 112 HD3 B0I 101 HD3 B0I 15 -1.929 -5.889 1.510 113 HD4 B0I 101 HD4 B0I 15 -3.082 -4.156 -2.205 114 HE4 B0I 101 HE4 B0I 15 -0.732 -4.120 -2.922 115 HZ2 B0I 101 HZ2 B0I 15 1.027 -4.968 -1.423 Start of MODEL 3 1 HA1 H00 1 HA1 H00 1 5.707 -4.336 6.209 2 HA2 H00 1 HA2 H00 1 5.053 -4.402 4.569 3 HB1 H00 1 HB1 H00 1 3.986 -2.564 6.711 4 HB2 H00 1 HB2 H00 1 3.341 -4.182 6.409 5 HG1 H00 1 HG1 H00 1 3.116 -3.386 3.964 6 HG2 H00 1 HG2 H00 1 3.275 -1.764 4.643 7 H THR 2 HN THR 2 6.145 -3.196 3.161 8 HA THR 2 HA THR 2 7.940 -1.133 4.054 9 HB THR 2 HB THR 2 8.547 -0.888 1.705 10 HG1 THR 2 HG1 THR 2 7.323 -2.410 0.219 11 HG21 THR 2 HG21 THR 2 8.105 -3.802 2.368 12 HG22 THR 2 HG22 THR 2 9.480 -2.829 2.888 13 HG23 THR 2 HG23 THR 2 9.242 -3.173 1.176 14 HA PRO 3 HA PRO 3 5.492 2.576 3.616 15 HB2 PRO 3 HB2 PRO 3 7.458 3.355 1.499 16 HB3 PRO 3 HB1 PRO 3 6.856 4.295 2.873 17 HG2 PRO 3 HG2 PRO 3 9.272 3.208 2.963 18 HG3 PRO 3 HG1 PRO 3 8.225 3.195 4.396 19 HD2 PRO 3 HD2 PRO 3 8.922 0.976 2.537 20 HD3 PRO 3 HD1 PRO 3 8.591 0.930 4.278 21 H ARG 4 HN ARG 4 6.647 1.074 0.605 22 HA ARG 4 HA ARG 4 4.592 2.167 -1.055 23 HB2 ARG 4 HB2 ARG 4 6.306 -0.275 -1.506 24 HB3 ARG 4 HB1 ARG 4 5.323 0.528 -2.722 25 HG2 ARG 4 HG2 ARG 4 6.691 2.567 -2.388 26 HG3 ARG 4 HG1 ARG 4 7.705 1.617 -1.298 27 HD2 ARG 4 HD2 ARG 4 8.280 0.102 -3.076 28 HD3 ARG 4 HD1 ARG 4 7.163 0.913 -4.174 29 HE ARG 4 HE ARG 4 9.059 2.752 -3.182 30 HH11 ARG 4 HH11 ARG 4 8.769 0.057 -5.406 31 HH12 ARG 4 HH12 ARG 4 10.043 0.608 -6.440 32 HH21 ARG 4 HH21 ARG 4 10.739 3.486 -4.536 33 HH22 ARG 4 HH22 ARG 4 11.173 2.571 -5.938 34 H GLN 5 HN GLN 5 5.106 -0.985 0.458 35 HA GLN 5 HA GLN 5 2.736 -2.195 -0.454 36 HB2 GLN 5 HB2 GLN 5 4.380 -2.706 2.020 37 HB3 GLN 5 HB1 GLN 5 2.997 -3.698 1.564 38 HG2 GLN 5 HG2 GLN 5 4.094 -4.305 -0.511 39 HG3 GLN 5 HG1 GLN 5 5.463 -3.270 -0.103 40 HE21 GLN 5 HE21 GLN 5 5.352 -6.134 -0.616 41 HE22 GLN 5 HE22 GLN 5 6.002 -6.900 0.797 42 H ALA 6 HN ALA 6 3.389 -0.215 2.373 43 HA ALA 6 HA ALA 6 0.887 -0.475 3.628 44 HB1 ALA 6 HB1 ALA 6 1.466 1.605 4.784 45 HB2 ALA 6 HB2 ALA 6 2.776 1.882 3.639 46 HB3 ALA 6 HB3 ALA 6 2.840 0.502 4.735 47 H ARG 7 HN ARG 7 2.087 1.786 1.185 48 HA ARG 7 HA ARG 7 -0.154 3.402 0.938 49 HB2 ARG 7 HB2 ARG 7 2.035 3.928 0.022 50 HB3 ARG 7 HB1 ARG 7 1.927 2.557 -1.071 51 HG2 ARG 7 HG2 ARG 7 0.116 3.554 -2.230 52 HG3 ARG 7 HG1 ARG 7 0.058 4.831 -1.020 53 HD2 ARG 7 HD2 ARG 7 2.332 4.289 -2.924 54 HD3 ARG 7 HD1 ARG 7 1.171 5.605 -3.070 55 HE ARG 7 HE ARG 7 2.489 5.692 -0.558 56 HH11 ARG 7 HH11 ARG 7 2.998 6.352 -3.959 57 HH12 ARG 7 HH12 ARG 7 4.160 7.600 -3.678 58 HH21 ARG 7 HH21 ARG 7 4.051 7.329 -0.176 59 HH22 ARG 7 HH22 ARG 7 4.771 8.155 -1.513 60 H ALA 8 HN ALA 8 0.901 0.619 -0.900 61 HA ALA 8 HA ALA 8 -1.291 0.355 -2.601 62 HB1 ALA 8 HB1 ALA 8 0.511 -1.827 -1.561 63 HB2 ALA 8 HB2 ALA 8 0.843 -0.792 -2.950 64 HB3 ALA 8 HB3 ALA 8 -0.513 -1.919 -2.994 65 H ALA 9 HN ALA 9 -0.752 -0.892 0.646 66 HA ALA 9 HA ALA 9 -2.955 -2.606 0.834 67 HB1 ALA 9 HB1 ALA 9 -1.076 -2.465 2.459 68 HB2 ALA 9 HB2 ALA 9 -2.670 -2.487 3.212 69 HB3 ALA 9 HB3 ALA 9 -1.779 -0.970 3.075 70 H ARG 10 HN ARG 10 -2.636 0.839 1.533 71 HA ARG 10 HA ARG 10 -5.308 1.175 2.442 72 HB2 ARG 10 HB2 ARG 10 -3.408 3.252 1.328 73 HB3 ARG 10 HB1 ARG 10 -4.858 3.575 2.270 74 HG2 ARG 10 HG2 ARG 10 -3.857 2.406 4.184 75 HG3 ARG 10 HG1 ARG 10 -2.395 2.135 3.236 76 HD2 ARG 10 HD2 ARG 10 -3.545 4.811 4.017 77 HD3 ARG 10 HD1 ARG 10 -2.136 4.043 4.736 78 HE ARG 10 HE ARG 10 -2.304 5.159 2.018 79 HH11 ARG 10 HH11 ARG 10 -0.366 3.895 4.659 80 HH12 ARG 10 HH12 ARG 10 1.121 4.502 4.027 81 HH21 ARG 10 HH21 ARG 10 -0.323 5.975 1.188 82 HH22 ARG 10 HH22 ARG 10 1.157 5.685 2.040 83 H ALA 11 HN ALA 11 -3.709 1.516 -0.666 84 HA ALA 11 HA ALA 11 -5.877 2.668 -2.065 85 HB1 ALA 11 HB1 ALA 11 -4.645 2.107 -4.079 86 HB2 ALA 11 HB2 ALA 11 -3.601 1.022 -3.160 87 HB3 ALA 11 HB3 ALA 11 -3.554 2.758 -2.855 88 H ALA 12 HN ALA 12 -4.801 -0.706 -1.745 89 HA ALA 12 HA ALA 12 -6.919 -1.660 -3.454 90 HB1 ALA 12 HB1 ALA 12 -4.955 -3.206 -1.776 91 HB2 ALA 12 HB2 ALA 12 -4.746 -2.754 -3.468 92 HB3 ALA 12 HB3 ALA 12 -6.022 -3.881 -3.007 93 H DAL 13 HN DAL 13 -6.779 -0.811 -0.218 94 HA DAL 13 HA DAL 13 -9.420 -1.835 0.219 95 HB1 DAL 13 HB1 DAL 13 -8.765 0.367 1.047 96 HB2 DAL 13 HB2 DAL 13 -7.585 -0.385 2.120 97 HB3 DAL 13 HB3 DAL 13 -9.309 -0.678 2.359 98 H CYS 14 HN CYS 14 -6.281 -2.369 1.808 99 HA CYS 14 HA CYS 14 -7.096 -5.089 2.416 100 HB2 CYS 14 HB2 CYS 14 -4.571 -3.684 2.090 101 HB3 CYS 14 HB1 CYS 14 -4.582 -4.680 3.536 102 HN1 NH2 15 HN1 NH2 15 -5.100 -3.774 5.156 103 HN2 NH2 15 HN2 NH2 15 -6.076 -2.359 5.001 104 HB11 B0I 101 HB12 B0I 15 -0.212 -4.686 5.426 105 H1 B0I 101 HB11 B0I 15 1.446 -5.078 5.856 106 HD1 B0I 101 HD1 B0I 15 -0.701 -4.262 3.018 107 HD2 B0I 101 HD2 B0I 15 2.867 -6.112 4.327 108 HE2 B0I 101 HE2 B0I 15 3.219 -7.064 2.089 109 HZ1 B0I 101 HZ1 B0I 15 1.596 -6.609 0.294 110 H2 B0I 101 HB21 B0I 15 -4.716 -5.856 -0.813 111 HB21 B0I 101 HB22 B0I 15 -4.792 -4.264 -0.059 112 HD3 B0I 101 HD3 B0I 15 -2.277 -5.656 1.710 113 HD4 B0I 101 HD4 B0I 15 -3.091 -4.411 -2.276 114 HE4 B0I 101 HE4 B0I 15 -0.690 -4.100 -2.674 115 HZ2 B0I 101 HZ2 B0I 15 0.927 -4.564 -0.881 Start of MODEL 4 1 HA1 H00 1 HA1 H00 1 6.817 -6.964 0.768 2 HA2 H00 1 HA2 H00 1 5.539 -6.248 -0.218 3 HB1 H00 1 HB1 H00 1 5.730 -5.893 2.771 4 HB2 H00 1 HB2 H00 1 4.796 -7.179 2.003 5 HG1 H00 1 HG1 H00 1 3.650 -5.309 0.685 6 HG2 H00 1 HG2 H00 1 4.354 -4.212 1.875 7 H THR 2 HN THR 2 6.487 -4.627 -1.295 8 HA THR 2 HA THR 2 8.576 -3.033 -0.157 9 HB THR 2 HB THR 2 8.338 -1.723 -2.288 10 HG1 THR 2 HG1 THR 2 6.928 -2.759 -3.874 11 HG21 THR 2 HG21 THR 2 9.865 -3.637 -2.143 12 HG22 THR 2 HG22 THR 2 9.142 -3.526 -3.747 13 HG23 THR 2 HG23 THR 2 8.550 -4.722 -2.593 14 HA PRO 3 HA PRO 3 6.456 0.437 1.642 15 HB2 PRO 3 HB2 PRO 3 7.742 2.131 -0.461 16 HB3 PRO 3 HB1 PRO 3 7.692 2.368 1.293 17 HG2 PRO 3 HG2 PRO 3 9.899 1.474 0.146 18 HG3 PRO 3 HG1 PRO 3 9.344 0.772 1.680 19 HD2 PRO 3 HD2 PRO 3 9.178 -0.340 -1.085 20 HD3 PRO 3 HD1 PRO 3 9.475 -1.176 0.451 21 H ARG 4 HN ARG 4 6.492 0.381 -1.916 22 HA ARG 4 HA ARG 4 4.184 2.003 -2.259 23 HB2 ARG 4 HB2 ARG 4 5.254 -0.099 -4.146 24 HB3 ARG 4 HB1 ARG 4 4.149 1.205 -4.556 25 HG2 ARG 4 HG2 ARG 4 5.927 2.807 -3.900 26 HG3 ARG 4 HG1 ARG 4 7.007 1.422 -3.726 27 HD2 ARG 4 HD2 ARG 4 7.361 2.380 -5.901 28 HD3 ARG 4 HD1 ARG 4 6.529 0.840 -6.103 29 HE ARG 4 HE ARG 4 4.522 2.693 -6.004 30 HH11 ARG 4 HH11 ARG 4 7.368 2.228 -8.021 31 HH12 ARG 4 HH12 ARG 4 6.674 3.007 -9.400 32 HH21 ARG 4 HH21 ARG 4 3.611 3.739 -7.844 33 HH22 ARG 4 HH22 ARG 4 4.535 3.866 -9.299 34 H GLN 5 HN GLN 5 4.690 -1.483 -2.162 35 HA GLN 5 HA GLN 5 1.985 -2.190 -2.597 36 HB2 GLN 5 HB2 GLN 5 4.247 -3.695 -1.289 37 HB3 GLN 5 HB1 GLN 5 2.654 -4.393 -1.567 38 HG2 GLN 5 HG2 GLN 5 2.926 -4.034 -3.969 39 HG3 GLN 5 HG1 GLN 5 4.525 -3.352 -3.679 40 HE21 GLN 5 HE21 GLN 5 3.672 -5.698 -5.212 41 HE22 GLN 5 HE22 GLN 5 4.570 -7.029 -4.565 42 H ALA 6 HN ALA 6 3.819 -1.439 0.294 43 HA ALA 6 HA ALA 6 1.926 -2.268 2.195 44 HB1 ALA 6 HB1 ALA 6 3.928 -0.021 2.409 45 HB2 ALA 6 HB2 ALA 6 4.251 -1.720 2.751 46 HB3 ALA 6 HB3 ALA 6 3.113 -0.821 3.754 47 H ARG 7 HN ARG 7 2.392 0.839 0.551 48 HA ARG 7 HA ARG 7 0.242 2.160 1.870 49 HB2 ARG 7 HB2 ARG 7 1.573 2.752 -0.773 50 HB3 ARG 7 HB1 ARG 7 0.426 3.816 0.029 51 HG2 ARG 7 HG2 ARG 7 1.957 3.960 1.950 52 HG3 ARG 7 HG1 ARG 7 3.094 2.949 1.048 53 HD2 ARG 7 HD2 ARG 7 2.035 5.509 -0.102 54 HD3 ARG 7 HD1 ARG 7 3.418 5.506 0.988 55 HE ARG 7 HE ARG 7 4.619 4.200 -0.607 56 HH11 ARG 7 HH11 ARG 7 1.570 5.452 -1.807 57 HH12 ARG 7 HH12 ARG 7 2.065 5.431 -3.460 58 HH21 ARG 7 HH21 ARG 7 5.280 4.186 -2.799 59 HH22 ARG 7 HH22 ARG 7 4.172 4.690 -4.034 60 H ALA 8 HN ALA 8 0.583 0.413 -1.128 61 HA ALA 8 HA ALA 8 -1.986 0.818 -2.181 62 HB1 ALA 8 HB1 ALA 8 -0.133 -0.191 -3.445 63 HB2 ALA 8 HB2 ALA 8 -1.588 -1.182 -3.513 64 HB3 ALA 8 HB3 ALA 8 -0.257 -1.642 -2.452 65 H ALA 9 HN ALA 9 -0.760 -1.606 0.069 66 HA ALA 9 HA ALA 9 -3.142 -3.089 0.333 67 HB1 ALA 9 HB1 ALA 9 -0.886 -2.745 2.307 68 HB2 ALA 9 HB2 ALA 9 -0.957 -3.949 1.020 69 HB3 ALA 9 HB3 ALA 9 -2.115 -4.009 2.350 70 H ARG 10 HN ARG 10 -1.843 -0.315 2.089 71 HA ARG 10 HA ARG 10 -3.838 -0.195 4.068 72 HB2 ARG 10 HB2 ARG 10 -1.669 0.959 4.234 73 HB3 ARG 10 HB1 ARG 10 -2.140 2.024 2.917 74 HG2 ARG 10 HG2 ARG 10 -3.971 2.892 4.280 75 HG3 ARG 10 HG1 ARG 10 -3.475 1.819 5.591 76 HD2 ARG 10 HD2 ARG 10 -1.307 2.940 5.692 77 HD3 ARG 10 HD1 ARG 10 -1.792 4.002 4.371 78 HE ARG 10 HE ARG 10 -3.721 4.316 6.290 79 HH11 ARG 10 HH11 ARG 10 -0.245 4.730 6.154 80 HH12 ARG 10 HH12 ARG 10 -0.216 5.990 7.338 81 HH21 ARG 10 HH21 ARG 10 -3.691 5.984 7.870 82 HH22 ARG 10 HH22 ARG 10 -2.183 6.703 8.316 83 H ALA 11 HN ALA 11 -3.518 1.280 0.886 84 HA ALA 11 HA ALA 11 -5.819 2.909 1.019 85 HB1 ALA 11 HB1 ALA 11 -4.449 1.783 -1.420 86 HB2 ALA 11 HB2 ALA 11 -3.981 3.256 -0.572 87 HB3 ALA 11 HB3 ALA 11 -5.545 3.164 -1.378 88 H ALA 12 HN ALA 12 -5.331 -0.433 0.069 89 HA ALA 12 HA ALA 12 -8.015 -0.677 -0.985 90 HB1 ALA 12 HB1 ALA 12 -5.941 -2.814 -0.514 91 HB2 ALA 12 HB2 ALA 12 -6.160 -1.911 -2.013 92 HB3 ALA 12 HB3 ALA 12 -7.432 -2.990 -1.439 93 H DAL 13 HN DAL 13 -6.263 -1.617 1.923 94 HA DAL 13 HA DAL 13 -8.846 -2.355 3.130 95 HB1 DAL 13 HB1 DAL 13 -7.750 -0.417 4.163 96 HB2 DAL 13 HB2 DAL 13 -6.327 -1.404 4.498 97 HB3 DAL 13 HB3 DAL 13 -7.862 -1.773 5.284 98 H CYS 14 HN CYS 14 -5.413 -3.203 3.051 99 HA CYS 14 HA CYS 14 -6.139 -5.937 3.862 100 HB2 CYS 14 HB2 CYS 14 -3.657 -5.575 2.320 101 HB3 CYS 14 HB1 CYS 14 -4.898 -6.811 2.181 102 HN1 NH2 15 HN1 NH2 15 -4.479 -4.866 6.621 103 HN2 NH2 15 HN2 NH2 15 -5.382 -6.191 5.984 104 HB11 B0I 101 HB12 B0I 15 1.170 -7.442 2.743 105 H1 B0I 101 HB11 B0I 15 2.808 -7.883 2.279 106 HD1 B0I 101 HD1 B0I 15 -0.127 -6.030 1.138 107 HD2 B0I 101 HD2 B0I 15 3.380 -8.111 0.032 108 HE2 B0I 101 HE2 B0I 15 2.732 -7.986 -2.339 109 HZ1 B0I 101 HZ1 B0I 15 0.634 -6.870 -2.976 110 H2 B0I 101 HB21 B0I 15 -4.574 -7.026 -0.074 111 HB21 B0I 101 HB22 B0I 15 -5.469 -6.115 -1.290 112 HD3 B0I 101 HD3 B0I 15 -2.259 -7.014 -0.070 113 HD4 B0I 101 HD4 B0I 15 -4.355 -4.031 -2.254 114 HE4 B0I 101 HE4 B0I 15 -2.237 -3.251 -3.230 115 HZ2 B0I 101 HZ2 B0I 15 -0.123 -4.357 -2.623 Start of MODEL 5 1 HA1 H00 1 HA1 H00 1 7.416 -6.836 1.413 2 HA2 H00 1 HA2 H00 1 6.456 -6.567 -0.042 3 HB1 H00 1 HB1 H00 1 5.659 -5.787 2.766 4 HB2 H00 1 HB2 H00 1 5.046 -7.181 1.875 5 HG1 H00 1 HG1 H00 1 4.414 -5.390 0.080 6 HG2 H00 1 HG2 H00 1 4.518 -4.272 1.443 7 H THR 2 HN THR 2 6.934 -4.802 -1.150 8 HA THR 2 HA THR 2 8.751 -2.852 -0.137 9 HB THR 2 HB THR 2 8.167 -1.672 -2.352 10 HG1 THR 2 HG1 THR 2 7.098 -4.152 -3.139 11 HG21 THR 2 HG21 THR 2 9.468 -3.292 -3.675 12 HG22 THR 2 HG22 THR 2 9.244 -4.493 -2.404 13 HG23 THR 2 HG23 THR 2 10.173 -3.031 -2.081 14 HA PRO 3 HA PRO 3 6.133 0.199 1.705 15 HB2 PRO 3 HB2 PRO 3 7.093 2.474 0.376 16 HB3 PRO 3 HB1 PRO 3 7.749 1.797 1.870 17 HG2 PRO 3 HG2 PRO 3 8.678 1.445 -0.943 18 HG3 PRO 3 HG1 PRO 3 9.631 1.588 0.547 19 HD2 PRO 3 HD2 PRO 3 9.288 -0.773 -0.639 20 HD3 PRO 3 HD1 PRO 3 9.269 -0.633 1.133 21 H ARG 4 HN ARG 4 6.582 0.357 -1.792 22 HA ARG 4 HA ARG 4 4.381 1.945 -2.474 23 HB2 ARG 4 HB2 ARG 4 5.414 -0.382 -4.102 24 HB3 ARG 4 HB1 ARG 4 4.605 1.059 -4.698 25 HG2 ARG 4 HG2 ARG 4 6.533 2.412 -4.007 26 HG3 ARG 4 HG1 ARG 4 7.340 0.949 -3.444 27 HD2 ARG 4 HD2 ARG 4 8.207 1.442 -5.607 28 HD3 ARG 4 HD1 ARG 4 7.141 0.050 -5.778 29 HE ARG 4 HE ARG 4 5.635 2.343 -6.273 30 HH11 ARG 4 HH11 ARG 4 8.278 0.553 -7.729 31 HH12 ARG 4 HH12 ARG 4 7.960 1.121 -9.330 32 HH21 ARG 4 HH21 ARG 4 5.206 3.104 -8.395 33 HH22 ARG 4 HH22 ARG 4 6.211 2.599 -9.710 34 H GLN 5 HN GLN 5 4.673 -1.573 -2.178 35 HA GLN 5 HA GLN 5 1.967 -2.154 -2.775 36 HB2 GLN 5 HB2 GLN 5 4.057 -3.758 -1.303 37 HB3 GLN 5 HB1 GLN 5 2.490 -4.387 -1.807 38 HG2 GLN 5 HG2 GLN 5 3.051 -4.102 -4.111 39 HG3 GLN 5 HG1 GLN 5 4.541 -3.258 -3.689 40 HE21 GLN 5 HE21 GLN 5 4.137 -5.657 -5.278 41 HE22 GLN 5 HE22 GLN 5 5.074 -6.901 -4.518 42 H ALA 6 HN ALA 6 3.720 -1.524 0.205 43 HA ALA 6 HA ALA 6 1.694 -2.270 2.010 44 HB1 ALA 6 HB1 ALA 6 3.842 -0.178 2.364 45 HB2 ALA 6 HB2 ALA 6 4.021 -1.903 2.690 46 HB3 ALA 6 HB3 ALA 6 2.906 -0.933 3.655 47 H ARG 7 HN ARG 7 2.448 0.826 0.463 48 HA ARG 7 HA ARG 7 0.430 2.359 1.711 49 HB2 ARG 7 HB2 ARG 7 1.611 2.707 -1.053 50 HB3 ARG 7 HB1 ARG 7 0.728 3.927 -0.148 51 HG2 ARG 7 HG2 ARG 7 2.469 4.052 1.493 52 HG3 ARG 7 HG1 ARG 7 3.306 2.687 0.742 53 HD2 ARG 7 HD2 ARG 7 3.564 4.038 -1.317 54 HD3 ARG 7 HD1 ARG 7 2.835 5.405 -0.477 55 HE ARG 7 HE ARG 7 4.889 4.697 1.138 56 HH11 ARG 7 HH11 ARG 7 4.674 5.475 -2.284 57 HH12 ARG 7 HH12 ARG 7 6.278 6.109 -2.380 58 HH21 ARG 7 HH21 ARG 7 7.032 5.543 1.012 59 HH22 ARG 7 HH22 ARG 7 7.617 6.161 -0.493 60 H ALA 8 HN ALA 8 0.526 0.455 -1.226 61 HA ALA 8 HA ALA 8 -2.070 1.036 -2.151 62 HB1 ALA 8 HB1 ALA 8 -0.306 0.040 -3.539 63 HB2 ALA 8 HB2 ALA 8 -1.795 -0.903 -3.580 64 HB3 ALA 8 HB3 ALA 8 -0.430 -1.453 -2.608 65 H ALA 9 HN ALA 9 -0.802 -1.536 -0.081 66 HA ALA 9 HA ALA 9 -3.180 -2.994 0.218 67 HB1 ALA 9 HB1 ALA 9 -2.111 -3.999 2.168 68 HB2 ALA 9 HB2 ALA 9 -0.883 -2.733 2.159 69 HB3 ALA 9 HB3 ALA 9 -0.979 -3.881 0.822 70 H ARG 10 HN ARG 10 -1.837 -0.294 2.060 71 HA ARG 10 HA ARG 10 -3.862 -0.274 4.049 72 HB2 ARG 10 HB2 ARG 10 -2.038 1.943 3.106 73 HB3 ARG 10 HB1 ARG 10 -3.062 2.030 4.533 74 HG2 ARG 10 HG2 ARG 10 -1.841 0.181 5.538 75 HG3 ARG 10 HG1 ARG 10 -0.829 0.060 4.097 76 HD2 ARG 10 HD2 ARG 10 -0.086 2.391 4.483 77 HD3 ARG 10 HD1 ARG 10 -1.017 2.403 5.980 78 HE ARG 10 HE ARG 10 0.646 0.206 6.122 79 HH11 ARG 10 HH11 ARG 10 1.004 3.689 5.917 80 HH12 ARG 10 HH12 ARG 10 2.542 3.706 6.705 81 HH21 ARG 10 HH21 ARG 10 2.657 0.220 7.170 82 HH22 ARG 10 HH22 ARG 10 3.492 1.717 7.429 83 H ALA 11 HN ALA 11 -3.616 1.100 0.860 84 HA ALA 11 HA ALA 11 -5.810 2.874 1.053 85 HB1 ALA 11 HB1 ALA 11 -4.667 1.531 -1.396 86 HB2 ALA 11 HB2 ALA 11 -4.121 3.062 -0.711 87 HB3 ALA 11 HB3 ALA 11 -5.745 2.928 -1.388 88 H ALA 12 HN ALA 12 -5.517 -0.464 -0.105 89 HA ALA 12 HA ALA 12 -8.316 -0.689 -0.698 90 HB1 ALA 12 HB1 ALA 12 -7.830 -3.027 -1.173 91 HB2 ALA 12 HB2 ALA 12 -6.230 -2.855 -0.453 92 HB3 ALA 12 HB3 ALA 12 -6.630 -1.978 -1.929 93 H DAL 13 HN DAL 13 -6.248 -1.485 2.005 94 HA DAL 13 HA DAL 13 -8.644 -2.015 3.606 95 HB1 DAL 13 HB1 DAL 13 -7.158 -0.223 4.369 96 HB2 DAL 13 HB2 DAL 13 -5.833 -1.380 4.493 97 HB3 DAL 13 HB3 DAL 13 -7.242 -1.539 5.539 98 H CYS 14 HN CYS 14 -5.739 -3.492 2.424 99 HA CYS 14 HA CYS 14 -6.593 -6.033 3.537 100 HB2 CYS 14 HB2 CYS 14 -4.189 -6.371 2.116 101 HB3 CYS 14 HB1 CYS 14 -5.813 -6.779 1.583 102 HN1 NH2 15 HN1 NH2 15 -2.936 -5.730 3.469 103 HN2 NH2 15 HN2 NH2 15 -3.094 -4.338 4.477 104 HB11 B0I 101 HB12 B0I 15 1.884 -7.999 1.439 105 H1 B0I 101 HB11 B0I 15 3.464 -7.786 0.692 106 HD1 B0I 101 HD1 B0I 15 0.273 -6.041 0.204 107 HD2 B0I 101 HD2 B0I 15 3.330 -8.406 -1.512 108 HE2 B0I 101 HE2 B0I 15 2.272 -8.207 -3.725 109 HZ1 B0I 101 HZ1 B0I 15 0.194 -6.912 -3.976 110 H2 B0I 101 HB21 B0I 15 -4.491 -6.806 -0.437 111 HB21 B0I 101 HB22 B0I 15 -5.470 -5.781 -1.487 112 HD3 B0I 101 HD3 B0I 15 -2.199 -6.946 -0.751 113 HD4 B0I 101 HD4 B0I 15 -4.337 -3.672 -2.426 114 HE4 B0I 101 HE4 B0I 15 -2.309 -2.949 -3.608 115 HZ2 B0I 101 HZ2 B0I 15 -0.217 -4.224 -3.364 Start of MODEL 6 1 HA1 H00 1 HA1 H00 1 7.260 -6.868 1.451 2 HA2 H00 1 HA2 H00 1 6.102 -6.507 0.168 3 HB1 H00 1 HB1 H00 1 5.883 -5.488 3.002 4 HB2 H00 1 HB2 H00 1 5.050 -6.923 2.394 5 HG1 H00 1 HG1 H00 1 4.033 -5.447 0.625 6 HG2 H00 1 HG2 H00 1 4.692 -4.067 1.507 7 H THR 2 HN THR 2 6.491 -4.756 -1.029 8 HA THR 2 HA THR 2 8.667 -3.008 -0.307 9 HB THR 2 HB THR 2 8.293 -1.967 -2.502 10 HG1 THR 2 HG1 THR 2 6.509 -3.437 -3.670 11 HG21 THR 2 HG21 THR 2 8.122 -4.983 -2.633 12 HG22 THR 2 HG22 THR 2 9.599 -4.046 -2.409 13 HG23 THR 2 HG23 THR 2 8.700 -3.926 -3.920 14 HA PRO 3 HA PRO 3 6.488 0.395 1.514 15 HB2 PRO 3 HB2 PRO 3 7.641 2.146 -0.610 16 HB3 PRO 3 HB1 PRO 3 7.702 2.326 1.150 17 HG2 PRO 3 HG2 PRO 3 9.848 1.511 -0.177 18 HG3 PRO 3 HG1 PRO 3 9.419 0.777 1.379 19 HD2 PRO 3 HD2 PRO 3 9.051 -0.297 -1.386 20 HD3 PRO 3 HD1 PRO 3 9.526 -1.145 0.101 21 H ARG 4 HN ARG 4 6.487 0.307 -2.014 22 HA ARG 4 HA ARG 4 4.191 1.900 -2.421 23 HB2 ARG 4 HB2 ARG 4 5.344 -0.265 -4.180 24 HB3 ARG 4 HB1 ARG 4 4.196 0.965 -4.689 25 HG2 ARG 4 HG2 ARG 4 5.846 2.702 -4.208 26 HG3 ARG 4 HG1 ARG 4 6.972 1.445 -3.680 27 HD2 ARG 4 HD2 ARG 4 7.117 0.541 -5.881 28 HD3 ARG 4 HD1 ARG 4 5.789 1.553 -6.450 29 HE ARG 4 HE ARG 4 7.451 3.441 -5.783 30 HH11 ARG 4 HH11 ARG 4 8.272 0.402 -7.341 31 HH12 ARG 4 HH12 ARG 4 9.649 1.057 -8.155 32 HH21 ARG 4 HH21 ARG 4 9.262 4.301 -6.873 33 HH22 ARG 4 HH22 ARG 4 10.214 3.276 -7.895 34 H GLN 5 HN GLN 5 4.667 -1.596 -2.241 35 HA GLN 5 HA GLN 5 1.992 -2.363 -2.651 36 HB2 GLN 5 HB2 GLN 5 4.269 -3.686 -1.200 37 HB3 GLN 5 HB1 GLN 5 2.677 -4.428 -1.293 38 HG2 GLN 5 HG2 GLN 5 2.815 -4.523 -3.694 39 HG3 GLN 5 HG1 GLN 5 4.346 -3.645 -3.670 40 HE21 GLN 5 HE21 GLN 5 3.661 -6.326 -4.678 41 HE22 GLN 5 HE22 GLN 5 4.750 -7.407 -3.874 42 H ALA 6 HN ALA 6 3.756 -1.643 0.330 43 HA ALA 6 HA ALA 6 1.721 -2.290 2.140 44 HB1 ALA 6 HB1 ALA 6 3.888 -0.217 2.436 45 HB2 ALA 6 HB2 ALA 6 4.036 -1.933 2.816 46 HB3 ALA 6 HB3 ALA 6 2.939 -0.914 3.748 47 H ARG 7 HN ARG 7 2.429 0.766 0.490 48 HA ARG 7 HA ARG 7 0.425 2.295 1.797 49 HB2 ARG 7 HB2 ARG 7 1.631 2.699 -0.946 50 HB3 ARG 7 HB1 ARG 7 0.714 3.895 -0.043 51 HG2 ARG 7 HG2 ARG 7 2.415 3.940 1.674 52 HG3 ARG 7 HG1 ARG 7 3.309 2.678 0.817 53 HD2 ARG 7 HD2 ARG 7 3.594 4.175 -1.088 54 HD3 ARG 7 HD1 ARG 7 2.697 5.434 -0.241 55 HE ARG 7 HE ARG 7 4.851 4.589 1.355 56 HH11 ARG 7 HH11 ARG 7 4.222 6.413 -1.572 57 HH12 ARG 7 HH12 ARG 7 5.648 7.379 -1.419 58 HH21 ARG 7 HH21 ARG 7 6.742 5.851 1.545 59 HH22 ARG 7 HH22 ARG 7 7.093 7.046 0.345 60 H ALA 8 HN ALA 8 0.502 0.446 -1.176 61 HA ALA 8 HA ALA 8 -2.099 1.068 -2.075 62 HB1 ALA 8 HB1 ALA 8 -1.875 -0.890 -3.513 63 HB2 ALA 8 HB2 ALA 8 -0.479 -1.428 -2.580 64 HB3 ALA 8 HB3 ALA 8 -0.392 0.063 -3.516 65 H ALA 9 HN ALA 9 -0.853 -1.537 -0.029 66 HA ALA 9 HA ALA 9 -3.279 -2.926 0.310 67 HB1 ALA 9 HB1 ALA 9 -0.912 -2.752 2.175 68 HB2 ALA 9 HB2 ALA 9 -1.113 -3.909 0.860 69 HB3 ALA 9 HB3 ALA 9 -2.196 -3.958 2.251 70 H ARG 10 HN ARG 10 -1.825 -0.217 2.007 71 HA ARG 10 HA ARG 10 -3.571 -0.043 4.181 72 HB2 ARG 10 HB2 ARG 10 -1.442 1.183 3.996 73 HB3 ARG 10 HB1 ARG 10 -2.117 2.156 2.700 74 HG2 ARG 10 HG2 ARG 10 -3.820 2.991 4.308 75 HG3 ARG 10 HG1 ARG 10 -2.959 2.112 5.574 76 HD2 ARG 10 HD2 ARG 10 -2.298 4.475 5.514 77 HD3 ARG 10 HD1 ARG 10 -0.944 3.413 5.130 78 HE ARG 10 HE ARG 10 -2.128 4.111 2.719 79 HH11 ARG 10 HH11 ARG 10 -0.493 5.784 5.340 80 HH12 ARG 10 HH12 ARG 10 0.124 7.038 4.320 81 HH21 ARG 10 HH21 ARG 10 -1.297 5.759 1.371 82 HH22 ARG 10 HH22 ARG 10 -0.340 7.027 2.058 83 H ALA 11 HN ALA 11 -3.677 1.453 0.970 84 HA ALA 11 HA ALA 11 -6.081 2.887 1.367 85 HB1 ALA 11 HB1 ALA 11 -4.467 3.463 -0.378 86 HB2 ALA 11 HB2 ALA 11 -6.072 3.183 -1.054 87 HB3 ALA 11 HB3 ALA 11 -4.822 1.948 -1.205 88 H ALA 12 HN ALA 12 -5.390 -0.243 -0.155 89 HA ALA 12 HA ALA 12 -8.060 -0.742 -0.948 90 HB1 ALA 12 HB1 ALA 12 -7.315 -2.983 -1.460 91 HB2 ALA 12 HB2 ALA 12 -5.846 -2.740 -0.516 92 HB3 ALA 12 HB3 ALA 12 -6.108 -1.813 -1.992 93 H DAL 13 HN DAL 13 -6.270 -1.504 1.983 94 HA DAL 13 HA DAL 13 -8.813 -2.360 3.186 95 HB1 DAL 13 HB1 DAL 13 -7.729 -0.420 4.212 96 HB2 DAL 13 HB2 DAL 13 -6.299 -1.398 4.542 97 HB3 DAL 13 HB3 DAL 13 -7.830 -1.780 5.329 98 H CYS 14 HN CYS 14 -5.615 -3.427 2.436 99 HA CYS 14 HA CYS 14 -6.310 -6.091 3.393 100 HB2 CYS 14 HB2 CYS 14 -3.732 -5.729 2.038 101 HB3 CYS 14 HB1 CYS 14 -5.011 -6.896 1.736 102 HN1 NH2 15 HN1 NH2 15 -4.743 -6.636 5.879 103 HN2 NH2 15 HN2 NH2 15 -5.793 -5.269 5.872 104 HB11 B0I 101 HB12 B0I 15 1.431 -6.916 3.105 105 H1 B0I 101 HB11 B0I 15 3.045 -7.450 2.655 106 HD1 B0I 101 HD1 B0I 15 0.213 -5.633 1.195 107 HD2 B0I 101 HD2 B0I 15 3.308 -8.451 0.601 108 HE2 B0I 101 HE2 B0I 15 2.524 -8.858 -1.697 109 HZ1 B0I 101 HZ1 B0I 15 0.561 -7.638 -2.556 110 H2 B0I 101 HB21 B0I 15 -4.546 -6.999 -0.489 111 HB21 B0I 101 HB22 B0I 15 -5.247 -5.949 -1.721 112 HD3 B0I 101 HD3 B0I 15 -2.241 -7.092 -0.159 113 HD4 B0I 101 HD4 B0I 15 -3.908 -3.954 -2.495 114 HE4 B0I 101 HE4 B0I 15 -1.653 -3.263 -3.183 115 HZ2 B0I 101 HZ2 B0I 15 0.316 -4.490 -2.360 Start of MODEL 7 1 HA1 H00 1 HA1 H00 1 4.236 -7.379 -0.838 2 HA2 H00 1 HA2 H00 1 3.614 -5.884 -1.543 3 HB1 H00 1 HB1 H00 1 2.924 -6.835 1.237 4 HB2 H00 1 HB2 H00 1 1.948 -7.201 -0.188 5 HG1 H00 1 HG1 H00 1 1.948 -4.653 -0.571 6 HG2 H00 1 HG2 H00 1 2.457 -4.552 1.116 7 H THR 2 HN THR 2 4.928 -4.218 -1.339 8 HA THR 2 HA THR 2 7.068 -4.260 0.599 9 HB THR 2 HB THR 2 7.773 -2.137 -0.473 10 HG1 THR 2 HG1 THR 2 5.943 -2.301 -2.517 11 HG21 THR 2 HG21 THR 2 8.497 -4.255 -1.469 12 HG22 THR 2 HG22 THR 2 8.233 -3.035 -2.713 13 HG23 THR 2 HG23 THR 2 7.033 -4.300 -2.451 14 HA PRO 3 HA PRO 3 5.351 -1.800 3.860 15 HB2 PRO 3 HB2 PRO 3 7.227 0.290 3.953 16 HB3 PRO 3 HB1 PRO 3 7.327 -1.237 4.839 17 HG2 PRO 3 HG2 PRO 3 8.622 -0.443 2.269 18 HG3 PRO 3 HG1 PRO 3 9.260 -1.445 3.587 19 HD2 PRO 3 HD2 PRO 3 8.412 -2.551 1.322 20 HD3 PRO 3 HD1 PRO 3 8.085 -3.325 2.885 21 H ARG 4 HN ARG 4 6.392 -0.108 0.955 22 HA ARG 4 HA ARG 4 4.856 2.250 1.413 23 HB2 ARG 4 HB2 ARG 4 5.891 1.189 -1.220 24 HB3 ARG 4 HB1 ARG 4 5.418 2.845 -0.861 25 HG2 ARG 4 HG2 ARG 4 7.252 2.949 0.800 26 HG3 ARG 4 HG1 ARG 4 7.752 1.341 0.272 27 HD2 ARG 4 HD2 ARG 4 8.121 2.184 -1.983 28 HD3 ARG 4 HD1 ARG 4 7.576 3.784 -1.486 29 HE ARG 4 HE ARG 4 9.816 2.702 0.000 30 HH11 ARG 4 HH11 ARG 4 8.766 4.767 -2.634 31 HH12 ARG 4 HH12 ARG 4 10.272 5.602 -2.749 32 HH21 ARG 4 HH21 ARG 4 11.811 3.820 -0.143 33 HH22 ARG 4 HH22 ARG 4 12.011 5.069 -1.322 34 H GLN 5 HN GLN 5 4.410 -0.639 -0.575 35 HA GLN 5 HA GLN 5 1.934 0.061 -1.703 36 HB2 GLN 5 HB2 GLN 5 3.191 -2.615 -1.149 37 HB3 GLN 5 HB1 GLN 5 1.653 -2.438 -1.989 38 HG2 GLN 5 HG2 GLN 5 2.684 -1.256 -3.776 39 HG3 GLN 5 HG1 GLN 5 4.211 -1.153 -2.899 40 HE21 GLN 5 HE21 GLN 5 3.585 -2.305 -5.509 41 HE22 GLN 5 HE22 GLN 5 4.104 -3.958 -5.433 42 H ALA 6 HN ALA 6 2.749 -1.456 1.352 43 HA ALA 6 HA ALA 6 0.188 -2.296 2.120 44 HB1 ALA 6 HB1 ALA 6 1.045 -2.270 4.401 45 HB2 ALA 6 HB2 ALA 6 2.417 -1.288 3.888 46 HB3 ALA 6 HB3 ALA 6 2.247 -2.941 3.297 47 H ARG 7 HN ARG 7 1.840 0.789 2.499 48 HA ARG 7 HA ARG 7 -0.199 2.074 4.003 49 HB2 ARG 7 HB2 ARG 7 1.840 3.380 2.195 50 HB3 ARG 7 HB1 ARG 7 0.994 4.120 3.545 51 HG2 ARG 7 HG2 ARG 7 2.185 2.716 5.108 52 HG3 ARG 7 HG1 ARG 7 2.967 1.861 3.776 53 HD2 ARG 7 HD2 ARG 7 3.930 4.064 3.058 54 HD3 ARG 7 HD1 ARG 7 3.304 4.749 4.556 55 HE ARG 7 HE ARG 7 4.873 2.465 5.107 56 HH11 ARG 7 HH11 ARG 7 5.165 5.827 4.143 57 HH12 ARG 7 HH12 ARG 7 6.760 6.014 4.775 58 HH21 ARG 7 HH21 ARG 7 6.988 2.700 5.955 59 HH22 ARG 7 HH22 ARG 7 7.800 4.223 5.826 60 H ALA 8 HN ALA 8 0.588 1.867 0.580 61 HA ALA 8 HA ALA 8 -1.365 3.681 -0.345 62 HB1 ALA 8 HB1 ALA 8 0.573 3.006 -1.684 63 HB2 ALA 8 HB2 ALA 8 -0.941 2.733 -2.548 64 HB3 ALA 8 HB3 ALA 8 -0.089 1.376 -1.812 65 H ALA 9 HN ALA 9 -1.379 0.163 0.040 66 HA ALA 9 HA ALA 9 -3.904 -0.329 -1.082 67 HB1 ALA 9 HB1 ALA 9 -3.805 -2.471 0.057 68 HB2 ALA 9 HB2 ALA 9 -2.504 -1.880 1.091 69 HB3 ALA 9 HB3 ALA 9 -2.235 -2.072 -0.641 70 H ARG 10 HN ARG 10 -2.934 0.275 2.272 71 HA ARG 10 HA ARG 10 -5.556 0.016 3.318 72 HB2 ARG 10 HB2 ARG 10 -3.043 1.254 4.416 73 HB3 ARG 10 HB1 ARG 10 -4.554 1.237 5.316 74 HG2 ARG 10 HG2 ARG 10 -4.591 -1.177 5.283 75 HG3 ARG 10 HG1 ARG 10 -3.139 -1.211 4.284 76 HD2 ARG 10 HD2 ARG 10 -1.828 -0.275 6.048 77 HD3 ARG 10 HD1 ARG 10 -3.262 0.019 7.031 78 HE ARG 10 HE ARG 10 -3.473 -2.544 6.887 79 HH11 ARG 10 HH11 ARG 10 -0.444 -0.789 7.080 80 HH12 ARG 10 HH12 ARG 10 0.387 -2.054 7.915 81 HH21 ARG 10 HH21 ARG 10 -2.375 -4.232 7.985 82 HH22 ARG 10 HH22 ARG 10 -0.715 -4.024 8.430 83 H ALA 11 HN ALA 11 -3.757 2.685 1.982 84 HA ALA 11 HA ALA 11 -5.498 4.749 2.827 85 HB1 ALA 11 HB1 ALA 11 -3.682 4.642 0.423 86 HB2 ALA 11 HB2 ALA 11 -3.239 5.206 2.035 87 HB3 ALA 11 HB3 ALA 11 -4.429 6.095 1.084 88 H ALA 12 HN ALA 12 -5.380 2.713 -0.058 89 HA ALA 12 HA ALA 12 -7.586 4.028 -1.325 90 HB1 ALA 12 HB1 ALA 12 -7.428 2.267 -2.997 91 HB2 ALA 12 HB2 ALA 12 -6.336 1.355 -1.955 92 HB3 ALA 12 HB3 ALA 12 -5.828 2.906 -2.621 93 H DAL 13 HN DAL 13 -7.180 1.133 0.639 94 HA DAL 13 HA DAL 13 -10.117 0.892 0.720 95 HB1 DAL 13 HB1 DAL 13 -8.157 0.267 2.923 96 HB2 DAL 13 HB2 DAL 13 -9.910 0.107 3.014 97 HB3 DAL 13 HB3 DAL 13 -9.179 1.701 2.829 98 H CYS 14 HN CYS 14 -7.258 -0.637 -0.154 99 HA CYS 14 HA CYS 14 -8.626 -3.056 -0.830 100 HB2 CYS 14 HB2 CYS 14 -5.681 -2.990 -0.982 101 HB3 CYS 14 HB1 CYS 14 -6.863 -3.453 -2.198 102 HN1 NH2 15 HN1 NH2 15 -8.092 -4.905 2.026 103 HN2 NH2 15 HN2 NH2 15 -9.215 -3.787 1.343 104 HB11 B0I 101 HB12 B0I 15 -1.598 -6.214 -0.355 105 H1 B0I 101 HB11 B0I 15 -0.094 -7.061 -0.681 106 HD1 B0I 101 HD1 B0I 15 -1.904 -3.959 -1.300 107 HD2 B0I 101 HD2 B0I 15 1.228 -6.512 -2.543 108 HE2 B0I 101 HE2 B0I 15 1.498 -5.207 -4.608 109 HZ1 B0I 101 HZ1 B0I 15 0.053 -3.255 -5.023 110 H2 B0I 101 HB21 B0I 15 -5.722 -2.706 -3.958 111 HB21 B0I 101 HB22 B0I 15 -5.892 -1.080 -4.624 112 HD3 B0I 101 HD3 B0I 15 -3.632 -3.535 -3.369 113 HD4 B0I 101 HD4 B0I 15 -4.117 0.635 -4.047 114 HE4 B0I 101 HE4 B0I 15 -1.682 0.946 -3.923 115 HZ2 B0I 101 HZ2 B0I 15 -0.213 -0.994 -3.519 Start of MODEL 8 1 HA1 H00 1 HA1 H00 1 4.395 -7.455 -0.556 2 HA2 H00 1 HA2 H00 1 4.038 -6.046 -1.560 3 HB1 H00 1 HB1 H00 1 2.645 -6.666 1.046 4 HB2 H00 1 HB2 H00 1 2.021 -7.128 -0.540 5 HG1 H00 1 HG1 H00 1 2.175 -4.680 -1.163 6 HG2 H00 1 HG2 H00 1 2.455 -4.358 0.550 7 H THR 2 HN THR 2 5.356 -4.392 -1.233 8 HA THR 2 HA THR 2 7.038 -4.255 1.084 9 HB THR 2 HB THR 2 7.751 -2.055 -0.036 10 HG1 THR 2 HG1 THR 2 6.974 -2.586 -2.470 11 HG21 THR 2 HG21 THR 2 9.007 -4.160 -0.258 12 HG22 THR 2 HG22 THR 2 9.044 -3.227 -1.753 13 HG23 THR 2 HG23 THR 2 7.979 -4.625 -1.613 14 HA PRO 3 HA PRO 3 4.858 -1.605 3.842 15 HB2 PRO 3 HB2 PRO 3 6.708 0.561 3.922 16 HB3 PRO 3 HB1 PRO 3 6.555 -0.768 5.074 17 HG2 PRO 3 HG2 PRO 3 8.475 -0.406 2.864 18 HG3 PRO 3 HG1 PRO 3 8.623 -1.368 4.340 19 HD2 PRO 3 HD2 PRO 3 8.258 -2.473 1.895 20 HD3 PRO 3 HD1 PRO 3 7.650 -3.212 3.387 21 H ARG 4 HN ARG 4 6.377 0.173 1.128 22 HA ARG 4 HA ARG 4 4.651 2.380 1.191 23 HB2 ARG 4 HB2 ARG 4 5.349 2.849 -1.105 24 HB3 ARG 4 HB1 ARG 4 6.728 2.391 -0.122 25 HG2 ARG 4 HG2 ARG 4 6.733 0.172 -1.113 26 HG3 ARG 4 HG1 ARG 4 5.279 0.566 -2.029 27 HD2 ARG 4 HD2 ARG 4 6.513 2.349 -3.187 28 HD3 ARG 4 HD1 ARG 4 7.968 1.906 -2.296 29 HE ARG 4 HE ARG 4 7.616 -0.368 -3.416 30 HH11 ARG 4 HH11 ARG 4 6.786 2.703 -4.907 31 HH12 ARG 4 HH12 ARG 4 6.997 2.124 -6.521 32 HH21 ARG 4 HH21 ARG 4 7.902 -1.129 -5.564 33 HH22 ARG 4 HH22 ARG 4 7.636 -0.065 -6.899 34 H GLN 5 HN GLN 5 4.370 -0.667 -0.597 35 HA GLN 5 HA GLN 5 1.951 0.027 -1.902 36 HB2 GLN 5 HB2 GLN 5 3.306 -2.613 -1.401 37 HB3 GLN 5 HB1 GLN 5 1.795 -2.472 -2.295 38 HG2 GLN 5 HG2 GLN 5 2.876 -1.064 -3.943 39 HG3 GLN 5 HG1 GLN 5 4.383 -1.126 -3.032 40 HE21 GLN 5 HE21 GLN 5 3.708 -1.974 -5.765 41 HE22 GLN 5 HE22 GLN 5 4.171 -3.645 -5.860 42 H ALA 6 HN ALA 6 2.711 -1.512 1.143 43 HA ALA 6 HA ALA 6 0.111 -2.447 1.735 44 HB1 ALA 6 HB1 ALA 6 0.902 -2.637 4.032 45 HB2 ALA 6 HB2 ALA 6 2.306 -1.644 3.643 46 HB3 ALA 6 HB3 ALA 6 2.120 -3.235 2.906 47 H ARG 7 HN ARG 7 1.801 0.567 2.482 48 HA ARG 7 HA ARG 7 -0.326 1.740 3.963 49 HB2 ARG 7 HB2 ARG 7 1.903 3.118 2.452 50 HB3 ARG 7 HB1 ARG 7 0.911 3.831 3.718 51 HG2 ARG 7 HG2 ARG 7 1.847 2.363 5.359 52 HG3 ARG 7 HG1 ARG 7 2.709 1.466 4.106 53 HD2 ARG 7 HD2 ARG 7 3.962 3.540 3.564 54 HD3 ARG 7 HD1 ARG 7 3.178 4.327 4.934 55 HE ARG 7 HE ARG 7 4.283 2.091 6.014 56 HH11 ARG 7 HH11 ARG 7 5.571 4.744 4.109 57 HH12 ARG 7 HH12 ARG 7 7.152 4.639 4.805 58 HH21 ARG 7 HH21 ARG 7 6.377 1.960 6.932 59 HH22 ARG 7 HH22 ARG 7 7.611 3.058 6.410 60 H ALA 8 HN ALA 8 0.674 1.824 0.603 61 HA ALA 8 HA ALA 8 -1.200 3.708 -0.324 62 HB1 ALA 8 HB1 ALA 8 0.749 2.976 -1.632 63 HB2 ALA 8 HB2 ALA 8 -0.752 2.821 -2.543 64 HB3 ALA 8 HB3 ALA 8 0.004 1.392 -1.838 65 H ALA 9 HN ALA 9 -1.366 0.201 0.026 66 HA ALA 9 HA ALA 9 -3.930 -0.097 -1.137 67 HB1 ALA 9 HB1 ALA 9 -2.380 -1.959 -0.929 68 HB2 ALA 9 HB2 ALA 9 -3.907 -2.324 -0.123 69 HB3 ALA 9 HB3 ALA 9 -2.491 -1.872 0.827 70 H ARG 10 HN ARG 10 -2.815 0.336 2.200 71 HA ARG 10 HA ARG 10 -5.322 0.058 3.439 72 HB2 ARG 10 HB2 ARG 10 -3.127 -0.008 4.609 73 HB3 ARG 10 HB1 ARG 10 -2.972 1.724 4.349 74 HG2 ARG 10 HG2 ARG 10 -5.070 2.041 5.649 75 HG3 ARG 10 HG1 ARG 10 -5.039 0.310 5.999 76 HD2 ARG 10 HD2 ARG 10 -4.074 1.570 7.845 77 HD3 ARG 10 HD1 ARG 10 -2.848 0.575 7.063 78 HE ARG 10 HE ARG 10 -3.001 3.266 6.059 79 HH11 ARG 10 HH11 ARG 10 -1.557 1.186 8.492 80 HH12 ARG 10 HH12 ARG 10 -0.177 2.207 8.724 81 HH21 ARG 10 HH21 ARG 10 -1.181 4.617 6.368 82 HH22 ARG 10 HH22 ARG 10 0.036 4.167 7.511 83 H ALA 11 HN ALA 11 -3.656 2.816 2.029 84 HA ALA 11 HA ALA 11 -5.450 4.807 2.914 85 HB1 ALA 11 HB1 ALA 11 -4.426 6.225 1.213 86 HB2 ALA 11 HB2 ALA 11 -3.668 4.810 0.481 87 HB3 ALA 11 HB3 ALA 11 -3.200 5.320 2.101 88 H ALA 12 HN ALA 12 -5.397 2.735 0.073 89 HA ALA 12 HA ALA 12 -7.634 4.078 -1.141 90 HB1 ALA 12 HB1 ALA 12 -7.516 2.321 -2.833 91 HB2 ALA 12 HB2 ALA 12 -6.328 1.456 -1.856 92 HB3 ALA 12 HB3 ALA 12 -5.934 3.035 -2.533 93 H DAL 13 HN DAL 13 -7.125 1.135 0.734 94 HA DAL 13 HA DAL 13 -10.054 0.887 0.933 95 HB1 DAL 13 HB1 DAL 13 -8.981 1.494 3.038 96 HB2 DAL 13 HB2 DAL 13 -7.971 0.051 2.942 97 HB3 DAL 13 HB3 DAL 13 -9.717 -0.106 3.128 98 H CYS 14 HN CYS 14 -7.131 -0.725 0.073 99 HA CYS 14 HA CYS 14 -8.693 -3.062 -0.707 100 HB2 CYS 14 HB2 CYS 14 -5.890 -3.117 -1.465 101 HB3 CYS 14 HB1 CYS 14 -7.326 -3.211 -2.473 102 HN1 NH2 15 HN1 NH2 15 -5.559 -2.915 1.608 103 HN2 NH2 15 HN2 NH2 15 -5.197 -4.097 0.407 104 HB11 B0I 101 HB12 B0I 15 -1.401 -6.144 -1.235 105 H1 B0I 101 HB11 B0I 15 0.232 -6.697 -1.580 106 HD1 B0I 101 HD1 B0I 15 -1.871 -3.715 -1.864 107 HD2 B0I 101 HD2 B0I 15 1.274 -5.999 -3.518 108 HE2 B0I 101 HE2 B0I 15 1.361 -4.504 -5.473 109 HZ1 B0I 101 HZ1 B0I 15 -0.185 -2.593 -5.622 110 H2 B0I 101 HB21 B0I 15 -5.915 -2.398 -4.131 111 HB21 B0I 101 HB22 B0I 15 -6.187 -0.736 -4.655 112 HD3 B0I 101 HD3 B0I 15 -3.750 -3.187 -3.770 113 HD4 B0I 101 HD4 B0I 15 -4.438 1.001 -4.018 114 HE4 B0I 101 HE4 B0I 15 -2.012 1.406 -4.022 115 HZ2 B0I 101 HZ2 B0I 15 -0.450 -0.492 -3.899 Start of MODEL 9 1 HA1 H00 1 HA1 H00 1 3.393 -3.936 7.352 2 HA2 H00 1 HA2 H00 1 3.097 -4.248 5.639 3 HB1 H00 1 HB1 H00 1 2.023 -1.850 7.124 4 HB2 H00 1 HB2 H00 1 1.119 -3.350 6.898 5 HG1 H00 1 HG1 H00 1 1.463 -3.061 4.423 6 HG2 H00 1 HG2 H00 1 2.095 -1.451 4.774 7 H THR 2 HN THR 2 4.715 -3.609 4.380 8 HA THR 2 HA THR 2 6.705 -1.762 5.301 9 HB THR 2 HB THR 2 7.683 -2.132 3.018 10 HG1 THR 2 HG1 THR 2 6.590 -3.961 1.877 11 HG21 THR 2 HG21 THR 2 8.295 -3.593 4.889 12 HG22 THR 2 HG22 THR 2 8.242 -4.497 3.376 13 HG23 THR 2 HG23 THR 2 6.917 -4.634 4.532 14 HA PRO 3 HA PRO 3 5.244 2.090 3.638 15 HB2 PRO 3 HB2 PRO 3 7.470 2.872 2.131 16 HB3 PRO 3 HB1 PRO 3 7.229 3.198 3.851 17 HG2 PRO 3 HG2 PRO 3 8.814 1.039 2.531 18 HG3 PRO 3 HG1 PRO 3 9.175 1.960 4.005 19 HD2 PRO 3 HD2 PRO 3 8.284 -0.553 4.134 20 HD3 PRO 3 HD1 PRO 3 7.750 0.667 5.307 21 H ARG 4 HN ARG 4 6.825 -0.141 1.423 22 HA ARG 4 HA ARG 4 5.856 0.922 -1.008 23 HB2 ARG 4 HB2 ARG 4 6.475 -1.969 -0.379 24 HB3 ARG 4 HB1 ARG 4 6.399 -1.243 -1.976 25 HG2 ARG 4 HG2 ARG 4 8.353 0.107 -1.478 26 HG3 ARG 4 HG1 ARG 4 8.393 -0.556 0.161 27 HD2 ARG 4 HD2 ARG 4 8.760 -2.790 -0.728 28 HD3 ARG 4 HD1 ARG 4 8.655 -2.171 -2.373 29 HE ARG 4 HE ARG 4 10.683 -0.746 -1.165 30 HH11 ARG 4 HH11 ARG 4 10.020 -4.124 -1.828 31 HH12 ARG 4 HH12 ARG 4 11.683 -4.560 -1.989 32 HH21 ARG 4 HH21 ARG 4 12.893 -1.312 -1.398 33 HH22 ARG 4 HH22 ARG 4 13.330 -2.948 -1.757 34 H GLN 5 HN GLN 5 4.686 -1.719 1.036 35 HA GLN 5 HA GLN 5 2.361 -2.231 -0.506 36 HB2 GLN 5 HB2 GLN 5 2.999 -2.933 2.360 37 HB3 GLN 5 HB1 GLN 5 1.615 -3.553 1.462 38 HG2 GLN 5 HG2 GLN 5 3.120 -4.612 -0.135 39 HG3 GLN 5 HG1 GLN 5 4.508 -3.980 0.748 40 HE21 GLN 5 HE21 GLN 5 3.782 -6.721 0.160 41 HE22 GLN 5 HE22 GLN 5 3.646 -7.528 1.686 42 H ALA 6 HN ALA 6 3.009 -0.230 2.311 43 HA ALA 6 HA ALA 6 0.360 0.502 2.892 44 HB1 ALA 6 HB1 ALA 6 2.234 0.935 4.414 45 HB2 ALA 6 HB2 ALA 6 1.329 2.410 4.071 46 HB3 ALA 6 HB3 ALA 6 2.879 2.121 3.280 47 H ARG 7 HN ARG 7 2.780 1.912 0.713 48 HA ARG 7 HA ARG 7 1.280 4.102 -0.124 49 HB2 ARG 7 HB2 ARG 7 3.636 4.034 -0.535 50 HB3 ARG 7 HB1 ARG 7 3.503 2.512 -1.402 51 HG2 ARG 7 HG2 ARG 7 3.855 4.279 -2.969 52 HG3 ARG 7 HG1 ARG 7 2.214 3.637 -3.116 53 HD2 ARG 7 HD2 ARG 7 1.358 5.510 -1.795 54 HD3 ARG 7 HD1 ARG 7 2.991 6.157 -1.653 55 HE ARG 7 HE ARG 7 2.105 5.768 -4.362 56 HH11 ARG 7 HH11 ARG 7 2.210 7.993 -1.652 57 HH12 ARG 7 HH12 ARG 7 1.959 9.398 -2.629 58 HH21 ARG 7 HH21 ARG 7 1.781 7.630 -5.664 59 HH22 ARG 7 HH22 ARG 7 1.727 9.189 -4.924 60 H ALA 8 HN ALA 8 1.574 0.797 -1.356 61 HA ALA 8 HA ALA 8 -0.050 1.090 -3.628 62 HB1 ALA 8 HB1 ALA 8 1.437 -0.832 -3.273 63 HB2 ALA 8 HB2 ALA 8 -0.216 -1.344 -3.609 64 HB3 ALA 8 HB3 ALA 8 0.401 -1.385 -1.957 65 H ALA 9 HN ALA 9 -0.794 0.301 -0.281 66 HA ALA 9 HA ALA 9 -3.531 -0.292 -0.654 67 HB1 ALA 9 HB1 ALA 9 -2.140 0.743 1.816 68 HB2 ALA 9 HB2 ALA 9 -2.279 -0.951 1.347 69 HB3 ALA 9 HB3 ALA 9 -3.725 -0.028 1.760 70 H ARG 10 HN ARG 10 -1.822 2.683 0.188 71 HA ARG 10 HA ARG 10 -4.127 4.283 0.538 72 HB2 ARG 10 HB2 ARG 10 -1.312 5.080 -0.216 73 HB3 ARG 10 HB1 ARG 10 -2.568 6.196 0.298 74 HG2 ARG 10 HG2 ARG 10 -2.655 5.172 2.475 75 HG3 ARG 10 HG1 ARG 10 -1.507 3.931 1.970 76 HD2 ARG 10 HD2 ARG 10 0.146 5.759 1.544 77 HD3 ARG 10 HD1 ARG 10 -0.999 6.885 2.274 78 HE ARG 10 HE ARG 10 -0.727 4.934 4.141 79 HH11 ARG 10 HH11 ARG 10 1.522 7.030 2.459 80 HH12 ARG 10 HH12 ARG 10 2.694 7.022 3.730 81 HH21 ARG 10 HH21 ARG 10 0.829 4.902 5.830 82 HH22 ARG 10 HH22 ARG 10 2.293 5.803 5.660 83 H ALA 11 HN ALA 11 -2.167 3.496 -2.261 84 HA ALA 11 HA ALA 11 -3.370 5.325 -4.057 85 HB1 ALA 11 HB1 ALA 11 -1.202 4.258 -4.488 86 HB2 ALA 11 HB2 ALA 11 -2.334 3.993 -5.814 87 HB3 ALA 11 HB3 ALA 11 -2.009 2.699 -4.661 88 H ALA 12 HN ALA 12 -3.997 1.913 -3.325 89 HA ALA 12 HA ALA 12 -6.103 1.663 -5.244 90 HB1 ALA 12 HB1 ALA 12 -4.741 -0.249 -4.563 91 HB2 ALA 12 HB2 ALA 12 -6.458 -0.543 -4.284 92 HB3 ALA 12 HB3 ALA 12 -5.401 -0.137 -2.931 93 H DAL 13 HN DAL 13 -5.959 2.496 -1.857 94 HA DAL 13 HA DAL 13 -8.848 3.029 -1.956 95 HB1 DAL 13 HB1 DAL 13 -8.473 4.622 -0.156 96 HB2 DAL 13 HB2 DAL 13 -7.420 4.969 -1.526 97 HB3 DAL 13 HB3 DAL 13 -6.769 4.171 -0.095 98 H CYS 14 HN CYS 14 -6.349 1.460 -0.044 99 HA CYS 14 HA CYS 14 -8.472 0.164 1.523 100 HB2 CYS 14 HB2 CYS 14 -5.879 -1.120 1.694 101 HB3 CYS 14 HB1 CYS 14 -7.432 -1.798 1.230 102 HN1 NH2 15 HN1 NH2 15 -8.076 1.206 4.199 103 HN2 NH2 15 HN2 NH2 15 -7.958 2.494 3.057 104 HB11 B0I 101 HB12 B0I 15 -2.277 -2.840 5.177 105 H1 B0I 101 HB11 B0I 15 -0.936 -3.726 5.889 106 HD1 B0I 101 HD1 B0I 15 -2.321 -2.580 2.711 107 HD2 B0I 101 HD2 B0I 15 0.253 -5.318 4.654 108 HE2 B0I 101 HE2 B0I 15 0.524 -6.579 2.559 109 HZ1 B0I 101 HZ1 B0I 15 -0.639 -5.835 0.519 110 H2 B0I 101 HB21 B0I 15 -6.137 -3.366 0.120 111 HB21 B0I 101 HB22 B0I 15 -6.160 -3.286 -1.642 112 HD3 B0I 101 HD3 B0I 15 -4.131 -3.677 1.273 113 HD4 B0I 101 HD4 B0I 15 -4.044 -2.566 -2.832 114 HE4 B0I 101 HE4 B0I 15 -1.617 -2.950 -2.890 115 HZ2 B0I 101 HZ2 B0I 15 -0.441 -3.699 -0.860 Start of MODEL 10 1 HA1 H00 1 HA1 H00 1 3.379 -3.469 7.583 2 HA2 H00 1 HA2 H00 1 2.910 -3.931 5.944 3 HB1 H00 1 HB1 H00 1 2.404 -1.225 7.183 4 HB2 H00 1 HB2 H00 1 1.214 -2.527 7.091 5 HG1 H00 1 HG1 H00 1 1.707 -2.498 4.561 6 HG2 H00 1 HG2 H00 1 2.416 -0.911 4.874 7 H THR 2 HN THR 2 4.463 -3.715 4.480 8 HA THR 2 HA THR 2 6.870 -2.299 5.069 9 HB THR 2 HB THR 2 7.522 -2.951 2.729 10 HG1 THR 2 HG1 THR 2 5.146 -4.491 2.664 11 HG21 THR 2 HG21 THR 2 6.422 -5.145 4.490 12 HG22 THR 2 HG22 THR 2 8.030 -4.430 4.597 13 HG23 THR 2 HG23 THR 2 7.578 -5.379 3.181 14 HA PRO 3 HA PRO 3 6.238 1.770 3.511 15 HB2 PRO 3 HB2 PRO 3 8.491 1.272 1.614 16 HB3 PRO 3 HB1 PRO 3 8.251 2.610 2.746 17 HG2 PRO 3 HG2 PRO 3 9.976 0.685 3.313 18 HG3 PRO 3 HG1 PRO 3 8.926 1.354 4.577 19 HD2 PRO 3 HD2 PRO 3 8.726 -1.244 3.123 20 HD3 PRO 3 HD1 PRO 3 8.360 -0.866 4.819 21 H ARG 4 HN ARG 4 6.982 -0.556 0.891 22 HA ARG 4 HA ARG 4 5.774 0.844 -1.154 23 HB2 ARG 4 HB2 ARG 4 7.353 -0.882 -1.583 24 HB3 ARG 4 HB1 ARG 4 6.375 -2.064 -0.720 25 HG2 ARG 4 HG2 ARG 4 4.779 -2.128 -2.379 26 HG3 ARG 4 HG1 ARG 4 5.369 -0.597 -3.023 27 HD2 ARG 4 HD2 ARG 4 5.979 -2.581 -4.426 28 HD3 ARG 4 HD1 ARG 4 7.365 -1.649 -3.865 29 HE ARG 4 HE ARG 4 7.124 -3.525 -1.959 30 HH11 ARG 4 HH11 ARG 4 7.170 -3.784 -5.463 31 HH12 ARG 4 HH12 ARG 4 7.954 -5.326 -5.463 32 HH21 ARG 4 HH21 ARG 4 8.148 -5.553 -1.958 33 HH22 ARG 4 HH22 ARG 4 8.512 -6.339 -3.456 34 H GLN 5 HN GLN 5 4.597 -1.851 0.805 35 HA GLN 5 HA GLN 5 2.030 -2.033 -0.295 36 HB2 GLN 5 HB2 GLN 5 3.095 -2.796 2.414 37 HB3 GLN 5 HB1 GLN 5 1.431 -3.108 1.932 38 HG2 GLN 5 HG2 GLN 5 2.153 -4.543 0.158 39 HG3 GLN 5 HG1 GLN 5 3.841 -4.120 0.444 40 HE21 GLN 5 HE21 GLN 5 2.478 -6.714 0.493 41 HE22 GLN 5 HE22 GLN 5 2.790 -7.381 2.062 42 H ALA 6 HN ALA 6 3.303 0.019 2.248 43 HA ALA 6 HA ALA 6 0.859 0.968 3.265 44 HB1 ALA 6 HB1 ALA 6 3.012 1.300 4.395 45 HB2 ALA 6 HB2 ALA 6 2.152 2.823 4.171 46 HB3 ALA 6 HB3 ALA 6 3.506 2.410 3.117 47 H ARG 7 HN ARG 7 2.931 2.139 0.657 48 HA ARG 7 HA ARG 7 1.300 4.378 -0.001 49 HB2 ARG 7 HB2 ARG 7 3.318 2.894 -1.691 50 HB3 ARG 7 HB1 ARG 7 2.625 4.464 -2.071 51 HG2 ARG 7 HG2 ARG 7 3.644 5.393 -0.053 52 HG3 ARG 7 HG1 ARG 7 4.337 3.804 0.296 53 HD2 ARG 7 HD2 ARG 7 4.864 5.319 -2.252 54 HD3 ARG 7 HD1 ARG 7 5.886 5.455 -0.824 55 HE ARG 7 HE ARG 7 6.433 3.120 -1.068 56 HH11 ARG 7 HH11 ARG 7 4.798 4.554 -3.825 57 HH12 ARG 7 HH12 ARG 7 5.445 3.429 -4.964 58 HH21 ARG 7 HH21 ARG 7 7.307 1.638 -2.578 59 HH22 ARG 7 HH22 ARG 7 6.885 1.747 -4.252 60 H ALA 8 HN ALA 8 1.649 1.119 -1.260 61 HA ALA 8 HA ALA 8 -0.128 1.287 -3.409 62 HB1 ALA 8 HB1 ALA 8 0.426 -1.132 -1.697 63 HB2 ALA 8 HB2 ALA 8 1.424 -0.584 -3.044 64 HB3 ALA 8 HB3 ALA 8 -0.226 -1.134 -3.336 65 H ALA 9 HN ALA 9 -0.742 0.537 -0.011 66 HA ALA 9 HA ALA 9 -3.445 -0.174 -0.248 67 HB1 ALA 9 HB1 ALA 9 -2.061 -0.559 1.756 68 HB2 ALA 9 HB2 ALA 9 -3.598 0.221 2.130 69 HB3 ALA 9 HB3 ALA 9 -2.110 1.168 2.099 70 H ARG 10 HN ARG 10 -1.907 2.974 0.231 71 HA ARG 10 HA ARG 10 -4.366 4.407 0.509 72 HB2 ARG 10 HB2 ARG 10 -1.670 5.506 -0.300 73 HB3 ARG 10 HB1 ARG 10 -3.021 6.410 0.362 74 HG2 ARG 10 HG2 ARG 10 -2.786 5.115 2.467 75 HG3 ARG 10 HG1 ARG 10 -1.342 4.359 1.789 76 HD2 ARG 10 HD2 ARG 10 -0.404 6.660 1.468 77 HD3 ARG 10 HD1 ARG 10 -1.780 7.281 2.376 78 HE ARG 10 HE ARG 10 0.347 5.547 3.437 79 HH11 ARG 10 HH11 ARG 10 -2.360 7.707 4.000 80 HH12 ARG 10 HH12 ARG 10 -1.965 7.978 5.660 81 HH21 ARG 10 HH21 ARG 10 0.858 5.891 5.643 82 HH22 ARG 10 HH22 ARG 10 -0.129 6.943 6.597 83 H ALA 11 HN ALA 11 -2.205 3.636 -2.136 84 HA ALA 11 HA ALA 11 -3.403 5.287 -4.088 85 HB1 ALA 11 HB1 ALA 11 -1.849 2.729 -4.465 86 HB2 ALA 11 HB2 ALA 11 -1.151 4.343 -4.320 87 HB3 ALA 11 HB3 ALA 11 -2.175 3.945 -5.699 88 H ALA 12 HN ALA 12 -3.874 1.893 -3.201 89 HA ALA 12 HA ALA 12 -5.847 1.398 -5.197 90 HB1 ALA 12 HB1 ALA 12 -6.218 -0.707 -4.017 91 HB2 ALA 12 HB2 ALA 12 -5.244 -0.127 -2.667 92 HB3 ALA 12 HB3 ALA 12 -4.496 -0.397 -4.242 93 H DAL 13 HN DAL 13 -5.952 2.318 -1.797 94 HA DAL 13 HA DAL 13 -8.689 3.216 -2.172 95 HB1 DAL 13 HB1 DAL 13 -8.428 4.306 -0.016 96 HB2 DAL 13 HB2 DAL 13 -7.071 4.695 -1.072 97 HB3 DAL 13 HB3 DAL 13 -6.874 3.509 0.217 98 H CYS 14 HN CYS 14 -6.900 1.092 0.045 99 HA CYS 14 HA CYS 14 -9.318 -0.495 0.383 100 HB2 CYS 14 HB2 CYS 14 -6.928 -1.367 1.825 101 HB3 CYS 14 HB1 CYS 14 -7.959 -2.257 0.714 102 HN1 NH2 15 HN1 NH2 15 -10.004 1.390 3.259 103 HN2 NH2 15 HN2 NH2 15 -10.541 0.765 1.747 104 HB11 B0I 101 HB12 B0I 15 -2.022 -2.015 5.497 105 H1 B0I 101 HB11 B0I 15 -0.694 -2.853 6.286 106 HD1 B0I 101 HD1 B0I 15 -2.052 -2.074 2.983 107 HD2 B0I 101 HD2 B0I 15 0.216 -4.764 5.323 108 HE2 B0I 101 HE2 B0I 15 0.313 -6.350 3.443 109 HZ1 B0I 101 HZ1 B0I 15 -0.785 -5.789 1.309 110 H2 B0I 101 HB21 B0I 15 -6.031 -3.497 0.343 111 HB21 B0I 101 HB22 B0I 15 -5.952 -3.388 -1.417 112 HD3 B0I 101 HD3 B0I 15 -4.071 -3.582 1.646 113 HD4 B0I 101 HD4 B0I 15 -3.824 -2.661 -2.500 114 HE4 B0I 101 HE4 B0I 15 -1.378 -2.901 -2.412 115 HZ2 B0I 101 HZ2 B0I 15 -0.274 -3.482 -0.290 Start of MODEL 11 1 HA1 H00 1 HA1 H00 1 3.230 -3.991 7.254 2 HA2 H00 1 HA2 H00 1 2.796 -4.168 5.552 3 HB1 H00 1 HB1 H00 1 2.202 -1.706 7.195 4 HB2 H00 1 HB2 H00 1 1.059 -3.032 6.968 5 HG1 H00 1 HG1 H00 1 1.488 -2.653 4.447 6 HG2 H00 1 HG2 H00 1 2.119 -1.085 4.955 7 H THR 2 HN THR 2 4.455 -3.772 4.255 8 HA THR 2 HA THR 2 6.722 -2.258 5.142 9 HB THR 2 HB THR 2 7.626 -2.733 2.875 10 HG1 THR 2 HG1 THR 2 5.998 -4.435 1.851 11 HG21 THR 2 HG21 THR 2 7.887 -4.395 4.669 12 HG22 THR 2 HG22 THR 2 7.726 -5.169 3.095 13 HG23 THR 2 HG23 THR 2 6.355 -5.133 4.202 14 HA PRO 3 HA PRO 3 5.934 1.856 3.721 15 HB2 PRO 3 HB2 PRO 3 8.234 1.518 1.842 16 HB3 PRO 3 HB1 PRO 3 7.901 2.825 2.986 17 HG2 PRO 3 HG2 PRO 3 9.722 0.986 3.558 18 HG3 PRO 3 HG1 PRO 3 8.621 1.586 4.813 19 HD2 PRO 3 HD2 PRO 3 8.595 -1.012 3.351 20 HD3 PRO 3 HD1 PRO 3 8.145 -0.656 5.030 21 H ARG 4 HN ARG 4 6.838 -0.366 1.075 22 HA ARG 4 HA ARG 4 5.464 1.135 -0.901 23 HB2 ARG 4 HB2 ARG 4 5.858 -0.708 -2.406 24 HB3 ARG 4 HB1 ARG 4 7.307 -0.400 -1.465 25 HG2 ARG 4 HG2 ARG 4 6.834 -2.323 -0.063 26 HG3 ARG 4 HG1 ARG 4 5.323 -2.601 -0.932 27 HD2 ARG 4 HD2 ARG 4 6.617 -2.894 -3.013 28 HD3 ARG 4 HD1 ARG 4 8.105 -2.716 -2.086 29 HE ARG 4 HE ARG 4 6.835 -4.742 -0.824 30 HH11 ARG 4 HH11 ARG 4 7.617 -4.153 -4.198 31 HH12 ARG 4 HH12 ARG 4 7.806 -5.826 -4.583 32 HH21 ARG 4 HH21 ARG 4 7.090 -6.966 -1.330 33 HH22 ARG 4 HH22 ARG 4 7.511 -7.439 -2.938 34 H GLN 5 HN GLN 5 4.532 -1.601 1.127 35 HA GLN 5 HA GLN 5 2.081 -2.137 -0.176 36 HB2 GLN 5 HB2 GLN 5 3.108 -2.722 2.589 37 HB3 GLN 5 HB1 GLN 5 1.466 -3.141 2.113 38 HG2 GLN 5 HG2 GLN 5 2.294 -4.586 0.376 39 HG3 GLN 5 HG1 GLN 5 3.953 -4.092 0.710 40 HE21 GLN 5 HE21 GLN 5 2.646 -6.731 0.793 41 HE22 GLN 5 HE22 GLN 5 2.938 -7.351 2.385 42 H ALA 6 HN ALA 6 2.992 0.017 2.445 43 HA ALA 6 HA ALA 6 0.389 0.832 3.160 44 HB1 ALA 6 HB1 ALA 6 2.977 2.368 3.397 45 HB2 ALA 6 HB2 ALA 6 2.345 1.225 4.581 46 HB3 ALA 6 HB3 ALA 6 1.477 2.726 4.253 47 H ARG 7 HN ARG 7 2.729 2.129 0.849 48 HA ARG 7 HA ARG 7 1.118 4.345 0.065 49 HB2 ARG 7 HB2 ARG 7 3.369 3.010 -1.446 50 HB3 ARG 7 HB1 ARG 7 2.708 4.608 -1.769 51 HG2 ARG 7 HG2 ARG 7 3.463 5.379 0.406 52 HG3 ARG 7 HG1 ARG 7 4.077 3.760 0.758 53 HD2 ARG 7 HD2 ARG 7 5.613 3.955 -1.152 54 HD3 ARG 7 HD1 ARG 7 5.022 5.591 -1.443 55 HE ARG 7 HE ARG 7 5.906 5.375 1.220 56 HH11 ARG 7 HH11 ARG 7 7.195 5.458 -2.036 57 HH12 ARG 7 HH12 ARG 7 8.713 6.127 -1.554 58 HH21 ARG 7 HH21 ARG 7 7.923 6.264 1.855 59 HH22 ARG 7 HH22 ARG 7 9.133 6.580 0.657 60 H ALA 8 HN ALA 8 1.703 1.138 -1.281 61 HA ALA 8 HA ALA 8 0.118 1.365 -3.577 62 HB1 ALA 8 HB1 ALA 8 0.025 -1.082 -3.562 63 HB2 ALA 8 HB2 ALA 8 0.608 -1.098 -1.898 64 HB3 ALA 8 HB3 ALA 8 1.651 -0.508 -3.191 65 H ALA 9 HN ALA 9 -0.709 0.434 -0.275 66 HA ALA 9 HA ALA 9 -3.407 -0.211 -0.716 67 HB1 ALA 9 HB1 ALA 9 -3.680 0.077 1.696 68 HB2 ALA 9 HB2 ALA 9 -2.111 0.877 1.783 69 HB3 ALA 9 HB3 ALA 9 -2.209 -0.823 1.326 70 H ARG 10 HN ARG 10 -1.798 2.849 -0.015 71 HA ARG 10 HA ARG 10 -4.116 4.387 0.386 72 HB2 ARG 10 HB2 ARG 10 -1.886 5.139 1.058 73 HB3 ARG 10 HB1 ARG 10 -1.394 5.219 -0.626 74 HG2 ARG 10 HG2 ARG 10 -2.909 7.015 -1.049 75 HG3 ARG 10 HG1 ARG 10 -3.618 6.835 0.558 76 HD2 ARG 10 HD2 ARG 10 -2.058 8.732 0.434 77 HD3 ARG 10 HD1 ARG 10 -1.534 7.508 1.588 78 HE ARG 10 HE ARG 10 -0.348 7.044 -0.939 79 HH11 ARG 10 HH11 ARG 10 -0.153 9.189 1.826 80 HH12 ARG 10 HH12 ARG 10 1.513 9.570 1.578 81 HH21 ARG 10 HH21 ARG 10 1.860 7.548 -1.279 82 HH22 ARG 10 HH22 ARG 10 2.663 8.645 -0.206 83 H ALA 11 HN ALA 11 -2.199 3.677 -2.495 84 HA ALA 11 HA ALA 11 -3.703 5.300 -4.257 85 HB1 ALA 11 HB1 ALA 11 -2.027 2.867 -4.867 86 HB2 ALA 11 HB2 ALA 11 -1.447 4.531 -4.790 87 HB3 ALA 11 HB3 ALA 11 -2.593 4.054 -6.043 88 H ALA 12 HN ALA 12 -3.896 1.875 -3.384 89 HA ALA 12 HA ALA 12 -5.972 1.234 -5.221 90 HB1 ALA 12 HB1 ALA 12 -4.438 -0.448 -4.315 91 HB2 ALA 12 HB2 ALA 12 -6.124 -0.878 -4.029 92 HB3 ALA 12 HB3 ALA 12 -5.145 -0.224 -2.716 93 H DAL 13 HN DAL 13 -5.950 2.301 -1.876 94 HA DAL 13 HA DAL 13 -8.861 2.654 -2.064 95 HB1 DAL 13 HB1 DAL 13 -8.611 4.364 -0.345 96 HB2 DAL 13 HB2 DAL 13 -7.573 4.702 -1.730 97 HB3 DAL 13 HB3 DAL 13 -6.882 4.030 -0.253 98 H CYS 14 HN CYS 14 -6.301 1.531 0.095 99 HA CYS 14 HA CYS 14 -8.340 0.101 1.664 100 HB2 CYS 14 HB2 CYS 14 -5.607 -0.951 1.785 101 HB3 CYS 14 HB1 CYS 14 -7.131 -1.797 1.563 102 HN1 NH2 15 HN1 NH2 15 -7.318 2.240 4.224 103 HN2 NH2 15 HN2 NH2 15 -8.595 1.498 3.332 104 HB11 B0I 101 HB12 B0I 15 -2.243 -2.493 5.547 105 H1 B0I 101 HB11 B0I 15 -0.862 -3.304 6.274 106 HD1 B0I 101 HD1 B0I 15 -2.204 -2.338 3.007 107 HD2 B0I 101 HD2 B0I 15 0.077 -5.131 5.213 108 HE2 B0I 101 HE2 B0I 15 0.263 -6.576 3.230 109 HZ1 B0I 101 HZ1 B0I 15 -0.798 -5.894 1.112 110 H2 B0I 101 HB21 B0I 15 -6.084 -3.429 0.330 111 HB21 B0I 101 HB22 B0I 15 -6.023 -3.396 -1.433 112 HD3 B0I 101 HD3 B0I 15 -4.137 -3.690 1.570 113 HD4 B0I 101 HD4 B0I 15 -3.865 -2.584 -2.526 114 HE4 B0I 101 HE4 B0I 15 -1.422 -2.881 -2.450 115 HZ2 B0I 101 HZ2 B0I 15 -0.335 -3.584 -0.354 Start of MODEL 12 1 HA1 H00 1 HA1 H00 1 2.867 -8.430 -0.050 2 HA2 H00 1 HA2 H00 1 2.453 -7.084 -1.115 3 HB1 H00 1 HB1 H00 1 1.328 -7.465 1.661 4 HB2 H00 1 HB2 H00 1 0.519 -7.996 0.184 5 HG1 H00 1 HG1 H00 1 0.857 -5.526 -0.568 6 HG2 H00 1 HG2 H00 1 1.054 -5.219 1.158 7 H THR 2 HN THR 2 3.713 -5.352 -0.992 8 HA THR 2 HA THR 2 5.636 -5.151 1.164 9 HB THR 2 HB THR 2 6.524 -3.211 -0.138 10 HG1 THR 2 HG1 THR 2 4.611 -3.985 -2.100 11 HG21 THR 2 HG21 THR 2 7.344 -4.526 -2.040 12 HG22 THR 2 HG22 THR 2 6.106 -5.743 -1.726 13 HG23 THR 2 HG23 THR 2 7.383 -5.460 -0.545 14 HA PRO 3 HA PRO 3 3.706 -2.188 3.798 15 HB2 PRO 3 HB2 PRO 3 6.054 -0.412 3.300 16 HB3 PRO 3 HB1 PRO 3 5.336 -0.924 4.834 17 HG2 PRO 3 HG2 PRO 3 7.593 -2.029 3.997 18 HG3 PRO 3 HG1 PRO 3 6.331 -3.025 4.750 19 HD2 PRO 3 HD2 PRO 3 7.081 -2.769 1.872 20 HD3 PRO 3 HD1 PRO 3 6.549 -4.199 2.780 21 H ARG 4 HN ARG 4 5.197 -0.777 0.884 22 HA ARG 4 HA ARG 4 3.593 1.579 0.899 23 HB2 ARG 4 HB2 ARG 4 5.051 0.292 -1.406 24 HB3 ARG 4 HB1 ARG 4 4.403 1.926 -1.381 25 HG2 ARG 4 HG2 ARG 4 5.922 2.387 0.558 26 HG3 ARG 4 HG1 ARG 4 6.647 0.806 0.233 27 HD2 ARG 4 HD2 ARG 4 7.891 2.676 -0.824 28 HD3 ARG 4 HD1 ARG 4 7.277 1.502 -1.991 29 HE ARG 4 HE ARG 4 5.457 3.659 -1.578 30 HH11 ARG 4 HH11 ARG 4 8.413 2.809 -3.260 31 HH12 ARG 4 HH12 ARG 4 8.142 3.914 -4.564 32 HH21 ARG 4 HH21 ARG 4 5.086 5.102 -3.308 33 HH22 ARG 4 HH22 ARG 4 6.235 5.224 -4.593 34 H GLN 5 HN GLN 5 3.413 -1.468 -0.854 35 HA GLN 5 HA GLN 5 1.095 -0.907 -2.351 36 HB2 GLN 5 HB2 GLN 5 2.290 -3.481 -1.361 37 HB3 GLN 5 HB1 GLN 5 0.798 -3.455 -2.294 38 HG2 GLN 5 HG2 GLN 5 1.904 -2.534 -4.182 39 HG3 GLN 5 HG1 GLN 5 3.373 -2.241 -3.251 40 HE21 GLN 5 HE21 GLN 5 2.910 -3.822 -5.686 41 HE22 GLN 5 HE22 GLN 5 3.488 -5.414 -5.312 42 H ALA 6 HN ALA 6 1.520 -2.193 0.903 43 HA ALA 6 HA ALA 6 -1.158 -2.790 1.458 44 HB1 ALA 6 HB1 ALA 6 -0.530 -2.607 3.818 45 HB2 ALA 6 HB2 ALA 6 0.975 -1.809 3.359 46 HB3 ALA 6 HB3 ALA 6 0.693 -3.489 2.903 47 H ARG 7 HN ARG 7 0.690 0.211 1.823 48 HA ARG 7 HA ARG 7 -1.302 1.803 3.001 49 HB2 ARG 7 HB2 ARG 7 0.861 2.624 1.058 50 HB3 ARG 7 HB1 ARG 7 -0.063 3.727 2.060 51 HG2 ARG 7 HG2 ARG 7 0.889 2.638 4.058 52 HG3 ARG 7 HG1 ARG 7 1.852 1.621 2.983 53 HD2 ARG 7 HD2 ARG 7 2.975 3.551 2.077 54 HD3 ARG 7 HD1 ARG 7 1.942 4.633 3.006 55 HE ARG 7 HE ARG 7 3.272 2.881 4.753 56 HH11 ARG 7 HH11 ARG 7 3.928 5.624 2.670 57 HH12 ARG 7 HH12 ARG 7 5.254 6.194 3.615 58 HH21 ARG 7 HH21 ARG 7 5.026 3.631 6.012 59 HH22 ARG 7 HH22 ARG 7 5.884 5.054 5.536 60 H ALA 8 HN ALA 8 -0.446 1.266 -0.370 61 HA ALA 8 HA ALA 8 -2.349 2.981 -1.524 62 HB1 ALA 8 HB1 ALA 8 -0.414 2.092 -2.740 63 HB2 ALA 8 HB2 ALA 8 -1.924 1.786 -3.598 64 HB3 ALA 8 HB3 ALA 8 -1.138 0.484 -2.705 65 H ALA 9 HN ALA 9 -2.486 -0.472 -0.763 66 HA ALA 9 HA ALA 9 -5.008 -1.011 -1.848 67 HB1 ALA 9 HB1 ALA 9 -3.683 -2.307 0.531 68 HB2 ALA 9 HB2 ALA 9 -3.427 -2.746 -1.158 69 HB3 ALA 9 HB3 ALA 9 -5.010 -2.981 -0.416 70 H ARG 10 HN ARG 10 -4.065 0.035 1.396 71 HA ARG 10 HA ARG 10 -6.654 -0.028 2.522 72 HB2 ARG 10 HB2 ARG 10 -4.260 1.646 3.294 73 HB3 ARG 10 HB1 ARG 10 -5.695 1.415 4.283 74 HG2 ARG 10 HG2 ARG 10 -5.228 -0.907 4.548 75 HG3 ARG 10 HG1 ARG 10 -3.921 -0.827 3.365 76 HD2 ARG 10 HD2 ARG 10 -2.789 0.817 4.899 77 HD3 ARG 10 HD1 ARG 10 -4.015 0.414 6.104 78 HE ARG 10 HE ARG 10 -2.952 -1.986 5.264 79 HH11 ARG 10 HH11 ARG 10 -1.771 0.920 6.822 80 HH12 ARG 10 HH12 ARG 10 -0.497 0.119 7.670 81 HH21 ARG 10 HH21 ARG 10 -1.249 -3.072 6.381 82 HH22 ARG 10 HH22 ARG 10 -0.194 -2.173 7.411 83 H ALA 11 HN ALA 11 -4.829 2.505 0.887 84 HA ALA 11 HA ALA 11 -6.715 4.573 1.294 85 HB1 ALA 11 HB1 ALA 11 -4.663 4.276 -0.897 86 HB2 ALA 11 HB2 ALA 11 -4.389 5.012 0.683 87 HB3 ALA 11 HB3 ALA 11 -5.505 5.762 -0.460 88 H ALA 12 HN ALA 12 -6.216 2.274 -1.356 89 HA ALA 12 HA ALA 12 -8.237 3.350 -3.036 90 HB1 ALA 12 HB1 ALA 12 -6.366 2.022 -3.895 91 HB2 ALA 12 HB2 ALA 12 -7.923 1.356 -4.386 92 HB3 ALA 12 HB3 ALA 12 -7.012 0.597 -3.082 93 H DAL 13 HN DAL 13 -8.304 1.111 -0.393 94 HA DAL 13 HA DAL 13 -11.207 0.879 -0.777 95 HB1 DAL 13 HB1 DAL 13 -11.367 0.543 1.624 96 HB2 DAL 13 HB2 DAL 13 -10.498 2.032 1.258 97 HB3 DAL 13 HB3 DAL 13 -9.610 0.595 1.761 98 H CYS 14 HN CYS 14 -8.454 -0.922 -1.145 99 HA CYS 14 HA CYS 14 -9.961 -3.373 -1.259 100 HB2 CYS 14 HB2 CYS 14 -7.064 -3.582 -1.618 101 HB3 CYS 14 HB1 CYS 14 -8.367 -4.064 -2.694 102 HN1 NH2 15 HN1 NH2 15 -6.914 -2.874 1.195 103 HN2 NH2 15 HN2 NH2 15 -6.715 -4.227 0.140 104 HB11 B0I 101 HB12 B0I 15 -2.772 -6.950 -0.768 105 H1 B0I 101 HB11 B0I 15 -1.174 -7.669 -0.914 106 HD1 B0I 101 HD1 B0I 15 -3.136 -4.724 -1.802 107 HD2 B0I 101 HD2 B0I 15 0.241 -7.107 -2.687 108 HE2 B0I 101 HE2 B0I 15 0.605 -5.854 -4.772 109 HZ1 B0I 101 HZ1 B0I 15 -0.916 -4.015 -5.376 110 H2 B0I 101 HB21 B0I 15 -6.858 -3.735 -4.411 111 HB21 B0I 101 HB22 B0I 15 -7.038 -2.299 -5.420 112 HD3 B0I 101 HD3 B0I 15 -4.733 -4.432 -3.862 113 HD4 B0I 101 HD4 B0I 15 -5.365 -0.347 -4.870 114 HE4 B0I 101 HE4 B0I 15 -2.944 0.069 -4.714 115 HZ2 B0I 101 HZ2 B0I 15 -1.418 -1.768 -4.129 Start of MODEL 13 1 HA1 H00 1 HA1 H00 1 3.668 -6.809 6.645 2 HA2 H00 1 HA2 H00 1 3.168 -6.918 4.956 3 HB1 H00 1 HB1 H00 1 2.580 -4.505 6.658 4 HB2 H00 1 HB2 H00 1 1.494 -5.896 6.589 5 HG1 H00 1 HG1 H00 1 1.558 -5.592 4.050 6 HG2 H00 1 HG2 H00 1 2.260 -4.007 4.383 7 H THR 2 HN THR 2 4.418 -5.984 3.444 8 HA THR 2 HA THR 2 6.821 -4.617 4.301 9 HB THR 2 HB THR 2 7.339 -4.712 1.820 10 HG1 THR 2 HG1 THR 2 5.967 -6.044 0.576 11 HG21 THR 2 HG21 THR 2 8.198 -6.405 3.374 12 HG22 THR 2 HG22 THR 2 7.785 -7.133 1.821 13 HG23 THR 2 HG23 THR 2 6.705 -7.328 3.202 14 HA PRO 3 HA PRO 3 5.641 -0.429 3.478 15 HB2 PRO 3 HB2 PRO 3 7.889 -0.300 1.520 16 HB3 PRO 3 HB1 PRO 3 7.511 0.778 2.872 17 HG2 PRO 3 HG2 PRO 3 9.481 -0.965 3.096 18 HG3 PRO 3 HG1 PRO 3 8.373 -0.690 4.454 19 HD2 PRO 3 HD2 PRO 3 8.471 -2.974 2.524 20 HD3 PRO 3 HD1 PRO 3 8.137 -2.983 4.268 21 H ARG 4 HN ARG 4 6.548 -2.283 0.581 22 HA ARG 4 HA ARG 4 5.211 -0.692 -1.307 23 HB2 ARG 4 HB2 ARG 4 5.623 -3.681 -1.415 24 HB3 ARG 4 HB1 ARG 4 5.266 -2.635 -2.780 25 HG2 ARG 4 HG2 ARG 4 7.423 -1.469 -2.367 26 HG3 ARG 4 HG1 ARG 4 7.758 -2.677 -1.120 27 HD2 ARG 4 HD2 ARG 4 7.615 -4.455 -2.777 28 HD3 ARG 4 HD1 ARG 4 7.215 -3.279 -4.024 29 HE ARG 4 HE ARG 4 9.662 -2.541 -2.901 30 HH11 ARG 4 HH11 ARG 4 8.291 -5.125 -4.822 31 HH12 ARG 4 HH12 ARG 4 9.780 -5.542 -5.589 32 HH21 ARG 4 HH21 ARG 4 11.659 -3.055 -3.969 33 HH22 ARG 4 HH22 ARG 4 11.696 -4.341 -5.119 34 H GLN 5 HN GLN 5 4.160 -3.585 0.423 35 HA GLN 5 HA GLN 5 1.546 -3.645 -0.651 36 HB2 GLN 5 HB2 GLN 5 2.599 -4.800 1.933 37 HB3 GLN 5 HB1 GLN 5 1.031 -5.177 1.228 38 HG2 GLN 5 HG2 GLN 5 2.132 -6.119 -0.727 39 HG3 GLN 5 HG1 GLN 5 3.706 -5.728 -0.037 40 HE21 GLN 5 HE21 GLN 5 2.627 -8.298 -0.812 41 HE22 GLN 5 HE22 GLN 5 2.669 -9.294 0.606 42 H ALA 6 HN ALA 6 2.914 -2.127 2.212 43 HA ALA 6 HA ALA 6 0.492 -1.349 3.419 44 HB1 ALA 6 HB1 ALA 6 2.628 -1.341 4.609 45 HB2 ALA 6 HB2 ALA 6 1.847 0.238 4.692 46 HB3 ALA 6 HB3 ALA 6 3.196 -0.021 3.587 47 H ARG 7 HN ARG 7 2.613 0.316 1.117 48 HA ARG 7 HA ARG 7 1.018 2.681 0.982 49 HB2 ARG 7 HB2 ARG 7 2.982 1.620 -1.053 50 HB3 ARG 7 HB1 ARG 7 2.367 3.262 -0.964 51 HG2 ARG 7 HG2 ARG 7 3.477 3.578 1.174 52 HG3 ARG 7 HG1 ARG 7 4.053 1.908 1.114 53 HD2 ARG 7 HD2 ARG 7 4.776 4.159 -0.757 54 HD3 ARG 7 HD1 ARG 7 5.833 3.359 0.406 55 HE ARG 7 HE ARG 7 4.666 1.931 -1.900 56 HH11 ARG 7 HH11 ARG 7 7.447 2.747 0.094 57 HH12 ARG 7 HH12 ARG 7 8.530 1.743 -0.801 58 HH21 ARG 7 HH21 ARG 7 6.105 0.622 -3.082 59 HH22 ARG 7 HH22 ARG 7 7.767 0.541 -2.610 60 H ALA 8 HN ALA 8 1.303 -0.230 -0.979 61 HA ALA 8 HA ALA 8 -0.507 0.486 -3.003 62 HB1 ALA 8 HB1 ALA 8 1.054 -1.389 -3.207 63 HB2 ALA 8 HB2 ALA 8 -0.606 -1.891 -3.532 64 HB3 ALA 8 HB3 ALA 8 0.145 -2.276 -1.984 65 H ALA 9 HN ALA 9 -1.007 -0.900 0.178 66 HA ALA 9 HA ALA 9 -3.688 -1.669 -0.117 67 HB1 ALA 9 HB1 ALA 9 -3.805 -1.586 2.322 68 HB2 ALA 9 HB2 ALA 9 -2.294 -0.677 2.371 69 HB3 ALA 9 HB3 ALA 9 -2.302 -2.342 1.792 70 H ARG 10 HN ARG 10 -2.222 1.406 0.808 71 HA ARG 10 HA ARG 10 -4.713 2.738 1.270 72 HB2 ARG 10 HB2 ARG 10 -1.988 3.915 0.686 73 HB3 ARG 10 HB1 ARG 10 -3.372 4.794 1.315 74 HG2 ARG 10 HG2 ARG 10 -1.923 2.556 2.714 75 HG3 ARG 10 HG1 ARG 10 -1.764 4.277 3.066 76 HD2 ARG 10 HD2 ARG 10 -4.088 4.391 3.730 77 HD3 ARG 10 HD1 ARG 10 -4.331 2.707 3.268 78 HE ARG 10 HE ARG 10 -2.320 3.270 5.301 79 HH11 ARG 10 HH11 ARG 10 -5.573 2.187 4.561 80 HH12 ARG 10 HH12 ARG 10 -5.770 1.334 6.054 81 HH21 ARG 10 HH21 ARG 10 -2.586 2.152 7.296 82 HH22 ARG 10 HH22 ARG 10 -4.060 1.301 7.608 83 H ALA 11 HN ALA 11 -2.534 2.355 -1.431 84 HA ALA 11 HA ALA 11 -3.725 4.242 -3.151 85 HB1 ALA 11 HB1 ALA 11 -2.476 3.130 -4.920 86 HB2 ALA 11 HB2 ALA 11 -2.149 1.770 -3.847 87 HB3 ALA 11 HB3 ALA 11 -1.471 3.358 -3.489 88 H ALA 12 HN ALA 12 -4.281 0.784 -2.655 89 HA ALA 12 HA ALA 12 -6.206 0.618 -4.778 90 HB1 ALA 12 HB1 ALA 12 -4.816 -1.303 -4.139 91 HB2 ALA 12 HB2 ALA 12 -6.538 -1.672 -4.046 92 HB3 ALA 12 HB3 ALA 12 -5.624 -1.354 -2.572 93 H DAL 13 HN DAL 13 -6.340 0.926 -1.266 94 HA DAL 13 HA DAL 13 -9.231 1.423 -1.537 95 HB1 DAL 13 HB1 DAL 13 -7.911 3.376 -0.867 96 HB2 DAL 13 HB2 DAL 13 -7.353 2.498 0.557 97 HB3 DAL 13 HB3 DAL 13 -9.063 2.892 0.375 98 H CYS 14 HN CYS 14 -6.825 -0.449 0.066 99 HA CYS 14 HA CYS 14 -8.927 -1.952 1.418 100 HB2 CYS 14 HB2 CYS 14 -6.371 -3.137 1.799 101 HB3 CYS 14 HB1 CYS 14 -7.712 -3.724 0.826 102 HN1 NH2 15 HN1 NH2 15 -5.666 -0.556 2.433 103 HN2 NH2 15 HN2 NH2 15 -5.789 -1.728 3.692 104 HB11 B0I 101 HB12 B0I 15 -2.016 -5.373 5.415 105 H1 B0I 101 HB11 B0I 15 -0.568 -6.312 5.754 106 HD1 B0I 101 HD1 B0I 15 -1.945 -4.583 2.812 107 HD2 B0I 101 HD2 B0I 15 -0.324 -8.145 4.417 108 HE2 B0I 101 HE2 B0I 15 -0.510 -9.243 2.222 109 HZ1 B0I 101 HZ1 B0I 15 -1.425 -7.998 0.305 110 H2 B0I 101 HB21 B0I 15 -6.130 -4.996 -0.222 111 HB21 B0I 101 HB22 B0I 15 -5.945 -4.540 -1.917 112 HD3 B0I 101 HD3 B0I 15 -4.278 -5.634 1.039 113 HD4 B0I 101 HD4 B0I 15 -3.699 -3.582 -2.643 114 HE4 B0I 101 HE4 B0I 15 -1.281 -3.995 -2.499 115 HZ2 B0I 101 HZ2 B0I 15 -0.355 -5.231 -0.580 Start of MODEL 14 1 HA1 H00 1 HA1 H00 1 3.271 -6.954 6.404 2 HA2 H00 1 HA2 H00 1 2.954 -6.957 4.667 3 HB1 H00 1 HB1 H00 1 2.026 -4.841 6.616 4 HB2 H00 1 HB2 H00 1 1.023 -6.142 5.968 5 HG1 H00 1 HG1 H00 1 1.520 -5.270 3.676 6 HG2 H00 1 HG2 H00 1 2.303 -3.884 4.439 7 H THR 2 HN THR 2 4.460 -6.061 3.423 8 HA THR 2 HA THR 2 6.606 -4.563 4.646 9 HB THR 2 HB THR 2 7.544 -4.621 2.288 10 HG1 THR 2 HG1 THR 2 6.280 -6.513 1.169 11 HG21 THR 2 HG21 THR 2 8.108 -7.007 2.393 12 HG22 THR 2 HG22 THR 2 6.799 -7.268 3.545 13 HG23 THR 2 HG23 THR 2 8.183 -6.269 3.991 14 HA PRO 3 HA PRO 3 5.432 -0.419 3.755 15 HB2 PRO 3 HB2 PRO 3 7.583 0.406 2.137 16 HB3 PRO 3 HB1 PRO 3 7.478 0.538 3.895 17 HG2 PRO 3 HG2 PRO 3 8.830 -1.525 2.226 18 HG3 PRO 3 HG1 PRO 3 9.305 -0.861 3.800 19 HD2 PRO 3 HD2 PRO 3 8.241 -3.302 3.593 20 HD3 PRO 3 HD1 PRO 3 7.844 -2.241 4.960 21 H ARG 4 HN ARG 4 6.735 -2.095 0.873 22 HA ARG 4 HA ARG 4 5.458 -0.461 -1.021 23 HB2 ARG 4 HB2 ARG 4 5.852 -2.240 -2.643 24 HB3 ARG 4 HB1 ARG 4 7.267 -2.028 -1.626 25 HG2 ARG 4 HG2 ARG 4 6.758 -4.008 -0.391 26 HG3 ARG 4 HG1 ARG 4 5.192 -4.155 -1.185 27 HD2 ARG 4 HD2 ARG 4 6.331 -4.489 -3.334 28 HD3 ARG 4 HD1 ARG 4 7.889 -4.393 -2.510 29 HE ARG 4 HE ARG 4 7.133 -6.381 -1.218 30 HH11 ARG 4 HH11 ARG 4 5.863 -5.761 -4.435 31 HH12 ARG 4 HH12 ARG 4 5.423 -7.409 -4.707 32 HH21 ARG 4 HH21 ARG 4 6.555 -8.552 -1.596 33 HH22 ARG 4 HH22 ARG 4 5.822 -9.007 -3.094 34 H GLN 5 HN GLN 5 4.374 -3.407 0.602 35 HA GLN 5 HA GLN 5 1.923 -3.631 -0.807 36 HB2 GLN 5 HB2 GLN 5 2.804 -4.734 1.858 37 HB3 GLN 5 HB1 GLN 5 1.287 -5.158 1.069 38 HG2 GLN 5 HG2 GLN 5 2.472 -6.136 -0.782 39 HG3 GLN 5 HG1 GLN 5 4.015 -5.604 -0.116 40 HE21 GLN 5 HE21 GLN 5 3.040 -8.275 -0.772 41 HE22 GLN 5 HE22 GLN 5 3.183 -9.199 0.685 42 H ALA 6 HN ALA 6 2.907 -2.052 2.167 43 HA ALA 6 HA ALA 6 0.349 -1.380 3.124 44 HB1 ALA 6 HB1 ALA 6 2.347 -1.267 4.518 45 HB2 ALA 6 HB2 ALA 6 1.512 0.288 4.495 46 HB3 ALA 6 HB3 ALA 6 2.971 0.056 3.533 47 H ARG 7 HN ARG 7 2.608 0.358 1.027 48 HA ARG 7 HA ARG 7 0.998 2.674 0.707 49 HB2 ARG 7 HB2 ARG 7 3.086 1.553 -1.177 50 HB3 ARG 7 HB1 ARG 7 2.453 3.193 -1.197 51 HG2 ARG 7 HG2 ARG 7 3.407 3.600 1.003 52 HG3 ARG 7 HG1 ARG 7 4.000 1.937 1.042 53 HD2 ARG 7 HD2 ARG 7 5.406 2.394 -0.909 54 HD3 ARG 7 HD1 ARG 7 4.811 4.055 -0.950 55 HE ARG 7 HE ARG 7 5.826 3.688 1.583 56 HH11 ARG 7 HH11 ARG 7 7.097 3.521 -1.678 57 HH12 ARG 7 HH12 ARG 7 8.695 3.992 -1.224 58 HH21 ARG 7 HH21 ARG 7 7.955 4.299 2.201 59 HH22 ARG 7 HH22 ARG 7 9.189 4.423 0.997 60 H ALA 8 HN ALA 8 1.322 -0.331 -1.062 61 HA ALA 8 HA ALA 8 -0.390 0.293 -3.210 62 HB1 ALA 8 HB1 ALA 8 -0.505 -2.103 -3.606 63 HB2 ALA 8 HB2 ALA 8 0.155 -2.416 -2.001 64 HB3 ALA 8 HB3 ALA 8 1.145 -1.619 -3.222 65 H ALA 9 HN ALA 9 -1.011 -1.060 -0.019 66 HA ALA 9 HA ALA 9 -3.730 -1.673 -0.367 67 HB1 ALA 9 HB1 ALA 9 -2.324 -0.828 2.167 68 HB2 ALA 9 HB2 ALA 9 -2.378 -2.469 1.528 69 HB3 ALA 9 HB3 ALA 9 -3.864 -1.682 2.062 70 H ARG 10 HN ARG 10 -2.082 1.278 0.631 71 HA ARG 10 HA ARG 10 -4.381 2.785 1.230 72 HB2 ARG 10 HB2 ARG 10 -2.098 3.393 1.944 73 HB3 ARG 10 HB1 ARG 10 -1.672 3.720 0.270 74 HG2 ARG 10 HG2 ARG 10 -3.528 5.427 0.269 75 HG3 ARG 10 HG1 ARG 10 -3.594 5.195 2.016 76 HD2 ARG 10 HD2 ARG 10 -1.253 5.850 2.200 77 HD3 ARG 10 HD1 ARG 10 -1.163 6.047 0.454 78 HE ARG 10 HE ARG 10 -2.852 7.693 2.221 79 HH11 ARG 10 HH11 ARG 10 -0.829 7.336 -0.636 80 HH12 ARG 10 HH12 ARG 10 -0.961 8.996 -1.100 81 HH21 ARG 10 HH21 ARG 10 -3.029 9.907 1.602 82 HH22 ARG 10 HH22 ARG 10 -2.221 10.465 0.180 83 H ALA 11 HN ALA 11 -2.548 2.249 -1.730 84 HA ALA 11 HA ALA 11 -3.842 4.203 -3.310 85 HB1 ALA 11 HB1 ALA 11 -1.684 3.238 -3.918 86 HB2 ALA 11 HB2 ALA 11 -2.859 3.052 -5.221 87 HB3 ALA 11 HB3 ALA 11 -2.455 1.677 -4.193 88 H ALA 12 HN ALA 12 -4.539 0.792 -2.719 89 HA ALA 12 HA ALA 12 -6.712 0.805 -4.630 90 HB1 ALA 12 HB1 ALA 12 -7.061 -1.518 -3.950 91 HB2 ALA 12 HB2 ALA 12 -5.865 -1.326 -2.669 92 HB3 ALA 12 HB3 ALA 12 -5.374 -1.214 -4.359 93 H DAL 13 HN DAL 13 -6.300 1.017 -1.163 94 HA DAL 13 HA DAL 13 -9.132 1.729 -0.932 95 HB1 DAL 13 HB1 DAL 13 -8.506 2.712 1.226 96 HB2 DAL 13 HB2 DAL 13 -7.522 3.359 -0.086 97 HB3 DAL 13 HB3 DAL 13 -6.852 2.145 1.004 98 H CYS 14 HN CYS 14 -6.659 -0.269 0.620 99 HA CYS 14 HA CYS 14 -8.796 -2.043 1.586 100 HB2 CYS 14 HB2 CYS 14 -6.137 -3.177 1.688 101 HB3 CYS 14 HB1 CYS 14 -7.572 -3.773 0.868 102 HN1 NH2 15 HN1 NH2 15 -8.162 -0.044 4.034 103 HN2 NH2 15 HN2 NH2 15 -9.053 -1.517 4.012 104 HB11 B0I 101 HB12 B0I 15 -2.211 -4.839 4.624 105 H1 B0I 101 HB11 B0I 15 -0.979 -5.941 5.227 106 HD1 B0I 101 HD1 B0I 15 -2.279 -4.351 2.219 107 HD2 B0I 101 HD2 B0I 15 0.089 -7.478 3.799 108 HE2 B0I 101 HE2 B0I 15 0.227 -8.522 1.575 109 HZ1 B0I 101 HZ1 B0I 15 -0.899 -7.471 -0.346 110 H2 B0I 101 HB21 B0I 15 -6.244 -4.886 -0.569 111 HB21 B0I 101 HB22 B0I 15 -6.198 -4.247 -2.210 112 HD3 B0I 101 HD3 B0I 15 -4.221 -5.269 0.672 113 HD4 B0I 101 HD4 B0I 15 -4.094 -3.610 -3.242 114 HE4 B0I 101 HE4 B0I 15 -1.677 -4.043 -3.353 115 HZ2 B0I 101 HZ2 B0I 15 -0.525 -5.093 -1.445 Start of MODEL 15 1 HA1 H00 1 HA1 H00 1 3.594 -6.690 6.572 2 HA2 H00 1 HA2 H00 1 3.158 -6.788 4.865 3 HB1 H00 1 HB1 H00 1 2.347 -4.510 6.669 4 HB2 H00 1 HB2 H00 1 1.337 -5.931 6.378 5 HG1 H00 1 HG1 H00 1 1.561 -5.406 3.909 6 HG2 H00 1 HG2 H00 1 2.229 -3.849 4.404 7 H THR 2 HN THR 2 4.668 -6.053 3.531 8 HA THR 2 HA THR 2 6.848 -4.457 4.494 9 HB THR 2 HB THR 2 7.668 -4.577 2.152 10 HG1 THR 2 HG1 THR 2 6.305 -6.083 0.793 11 HG21 THR 2 HG21 THR 2 6.675 -7.223 3.228 12 HG22 THR 2 HG22 THR 2 8.178 -6.421 3.685 13 HG23 THR 2 HG23 THR 2 7.960 -7.015 2.039 14 HA PRO 3 HA PRO 3 5.585 -0.315 3.552 15 HB2 PRO 3 HB2 PRO 3 7.866 -0.179 1.626 16 HB3 PRO 3 HB1 PRO 3 7.433 0.932 2.934 17 HG2 PRO 3 HG2 PRO 3 9.453 -0.754 3.245 18 HG3 PRO 3 HG1 PRO 3 8.323 -0.449 4.579 19 HD2 PRO 3 HD2 PRO 3 8.520 -2.809 2.763 20 HD3 PRO 3 HD1 PRO 3 8.121 -2.747 4.492 21 H ARG 4 HN ARG 4 6.626 -2.208 0.741 22 HA ARG 4 HA ARG 4 5.317 -0.762 -1.270 23 HB2 ARG 4 HB2 ARG 4 5.767 -3.747 -1.193 24 HB3 ARG 4 HB1 ARG 4 5.485 -2.771 -2.623 25 HG2 ARG 4 HG2 ARG 4 7.615 -1.625 -2.253 26 HG3 ARG 4 HG1 ARG 4 7.877 -2.623 -0.816 27 HD2 ARG 4 HD2 ARG 4 7.827 -4.634 -2.193 28 HD3 ARG 4 HD1 ARG 4 7.535 -3.659 -3.628 29 HE ARG 4 HE ARG 4 9.879 -2.720 -2.496 30 HH11 ARG 4 HH11 ARG 4 8.682 -5.719 -3.864 31 HH12 ARG 4 HH12 ARG 4 10.231 -6.239 -4.432 32 HH21 ARG 4 HH21 ARG 4 11.957 -3.404 -3.269 33 HH22 ARG 4 HH22 ARG 4 12.099 -4.922 -4.092 34 H GLN 5 HN GLN 5 4.266 -3.598 0.559 35 HA GLN 5 HA GLN 5 1.729 -3.859 -0.638 36 HB2 GLN 5 HB2 GLN 5 2.618 -4.721 2.114 37 HB3 GLN 5 HB1 GLN 5 1.181 -5.294 1.275 38 HG2 GLN 5 HG2 GLN 5 2.529 -6.362 -0.403 39 HG3 GLN 5 HG1 GLN 5 3.999 -5.674 0.289 40 HE21 GLN 5 HE21 GLN 5 3.321 -8.452 -0.149 41 HE22 GLN 5 HE22 GLN 5 3.392 -9.219 1.402 42 H ALA 6 HN ALA 6 2.787 -2.184 2.296 43 HA ALA 6 HA ALA 6 0.238 -1.463 3.233 44 HB1 ALA 6 HB1 ALA 6 2.851 -0.017 3.653 45 HB2 ALA 6 HB2 ALA 6 2.259 -1.371 4.614 46 HB3 ALA 6 HB3 ALA 6 1.392 0.164 4.627 47 H ARG 7 HN ARG 7 2.502 0.268 1.120 48 HA ARG 7 HA ARG 7 0.865 2.590 0.872 49 HB2 ARG 7 HB2 ARG 7 3.042 1.604 -0.977 50 HB3 ARG 7 HB1 ARG 7 2.377 3.234 -0.930 51 HG2 ARG 7 HG2 ARG 7 3.261 3.592 1.266 52 HG3 ARG 7 HG1 ARG 7 3.774 1.904 1.356 53 HD2 ARG 7 HD2 ARG 7 5.258 2.333 -0.601 54 HD3 ARG 7 HD1 ARG 7 4.843 4.043 -0.475 55 HE ARG 7 HE ARG 7 5.696 3.569 1.986 56 HH11 ARG 7 HH11 ARG 7 7.085 2.621 -1.087 57 HH12 ARG 7 HH12 ARG 7 8.708 2.580 -0.490 58 HH21 ARG 7 HH21 ARG 7 7.859 3.510 2.784 59 HH22 ARG 7 HH22 ARG 7 9.149 3.097 1.706 60 H ALA 8 HN ALA 8 1.263 -0.353 -0.984 61 HA ALA 8 HA ALA 8 -0.382 0.371 -3.167 62 HB1 ALA 8 HB1 ALA 8 1.162 -1.528 -3.247 63 HB2 ALA 8 HB2 ALA 8 -0.481 -2.016 -3.664 64 HB3 ALA 8 HB3 ALA 8 0.171 -2.385 -2.068 65 H ALA 9 HN ALA 9 -1.066 -1.194 -0.076 66 HA ALA 9 HA ALA 9 -3.781 -1.757 -0.502 67 HB1 ALA 9 HB1 ALA 9 -2.502 -2.676 1.377 68 HB2 ALA 9 HB2 ALA 9 -3.956 -1.850 1.940 69 HB3 ALA 9 HB3 ALA 9 -2.384 -1.066 2.087 70 H ARG 10 HN ARG 10 -2.158 1.082 0.846 71 HA ARG 10 HA ARG 10 -4.429 2.602 1.425 72 HB2 ARG 10 HB2 ARG 10 -2.178 3.132 2.248 73 HB3 ARG 10 HB1 ARG 10 -1.664 3.508 0.612 74 HG2 ARG 10 HG2 ARG 10 -3.291 5.347 0.549 75 HG3 ARG 10 HG1 ARG 10 -3.728 4.971 2.219 76 HD2 ARG 10 HD2 ARG 10 -2.129 6.832 2.081 77 HD3 ARG 10 HD1 ARG 10 -1.466 5.445 2.946 78 HE ARG 10 HE ARG 10 -0.836 5.565 0.121 79 HH11 ARG 10 HH11 ARG 10 0.182 6.410 3.359 80 HH12 ARG 10 HH12 ARG 10 1.856 6.510 2.945 81 HH21 ARG 10 HH21 ARG 10 1.375 5.709 -0.434 82 HH22 ARG 10 HH22 ARG 10 2.541 6.112 0.783 83 H ALA 11 HN ALA 11 -2.522 2.251 -1.512 84 HA ALA 11 HA ALA 11 -3.766 4.312 -2.986 85 HB1 ALA 11 HB1 ALA 11 -2.755 3.247 -4.938 86 HB2 ALA 11 HB2 ALA 11 -2.376 1.825 -3.965 87 HB3 ALA 11 HB3 ALA 11 -1.607 3.370 -3.605 88 H ALA 12 HN ALA 12 -4.348 0.824 -2.810 89 HA ALA 12 HA ALA 12 -6.435 0.837 -4.739 90 HB1 ALA 12 HB1 ALA 12 -5.089 -1.149 -4.249 91 HB2 ALA 12 HB2 ALA 12 -6.817 -1.457 -4.066 92 HB3 ALA 12 HB3 ALA 12 -5.808 -1.228 -2.639 93 H DAL 13 HN DAL 13 -6.369 1.019 -1.220 94 HA DAL 13 HA DAL 13 -9.264 1.571 -1.302 95 HB1 DAL 13 HB1 DAL 13 -7.215 2.626 0.642 96 HB2 DAL 13 HB2 DAL 13 -8.940 2.989 0.658 97 HB3 DAL 13 HB3 DAL 13 -7.937 3.528 -0.690 98 H CYS 14 HN CYS 14 -6.788 -0.396 0.022 99 HA CYS 14 HA CYS 14 -8.749 -1.992 1.412 100 HB2 CYS 14 HB2 CYS 14 -5.928 -2.733 1.703 101 HB3 CYS 14 HB1 CYS 14 -7.290 -3.695 1.151 102 HN1 NH2 15 HN1 NH2 15 -8.565 -0.935 4.469 103 HN2 NH2 15 HN2 NH2 15 -9.127 -0.156 3.037 104 HB11 B0I 101 HB12 B0I 15 -2.100 -5.283 5.040 105 H1 B0I 101 HB11 B0I 15 -0.685 -6.227 5.484 106 HD1 B0I 101 HD1 B0I 15 -2.124 -4.552 2.552 107 HD2 B0I 101 HD2 B0I 15 0.025 -7.870 4.046 108 HE2 B0I 101 HE2 B0I 15 0.045 -8.894 1.808 109 HZ1 B0I 101 HZ1 B0I 15 -1.033 -7.732 -0.078 110 H2 B0I 101 HB21 B0I 15 -6.165 -4.965 -0.220 111 HB21 B0I 101 HB22 B0I 15 -6.123 -4.623 -1.949 112 HD3 B0I 101 HD3 B0I 15 -4.220 -5.569 0.885 113 HD4 B0I 101 HD4 B0I 15 -3.952 -3.588 -2.866 114 HE4 B0I 101 HE4 B0I 15 -1.520 -3.936 -2.883 115 HZ2 B0I 101 HZ2 B0I 15 -0.431 -5.103 -1.008 Start of MODEL 16 1 HA1 H00 1 HA1 H00 1 4.617 -6.129 4.999 2 HA2 H00 1 HA2 H00 1 4.101 -5.725 3.359 3 HB1 H00 1 HB1 H00 1 2.844 -4.507 5.814 4 HB2 H00 1 HB2 H00 1 2.254 -6.004 5.086 5 HG1 H00 1 HG1 H00 1 2.205 -4.612 2.893 6 HG2 H00 1 HG2 H00 1 2.228 -3.224 3.982 7 H THR 2 HN THR 2 5.390 -4.260 2.462 8 HA THR 2 HA THR 2 7.018 -2.502 4.060 9 HB THR 2 HB THR 2 7.933 -1.733 1.930 10 HG1 THR 2 HG1 THR 2 6.937 -2.925 0.003 11 HG21 THR 2 HG21 THR 2 8.763 -3.878 2.772 12 HG22 THR 2 HG22 THR 2 8.724 -3.874 1.008 13 HG23 THR 2 HG23 THR 2 7.473 -4.722 1.916 14 HA PRO 3 HA PRO 3 4.556 1.226 4.055 15 HB2 PRO 3 HB2 PRO 3 6.786 2.586 2.616 16 HB3 PRO 3 HB1 PRO 3 5.974 3.048 4.119 17 HG2 PRO 3 HG2 PRO 3 8.411 1.993 4.177 18 HG3 PRO 3 HG1 PRO 3 7.201 1.547 5.396 19 HD2 PRO 3 HD2 PRO 3 8.157 0.012 3.020 20 HD3 PRO 3 HD1 PRO 3 7.724 -0.571 4.641 21 H ARG 4 HN ARG 4 6.270 0.382 1.108 22 HA ARG 4 HA ARG 4 4.738 1.944 -0.703 23 HB2 ARG 4 HB2 ARG 4 6.210 -0.628 -1.290 24 HB3 ARG 4 HB1 ARG 4 5.767 0.619 -2.443 25 HG2 ARG 4 HG2 ARG 4 7.309 2.174 -1.346 26 HG3 ARG 4 HG1 ARG 4 7.749 0.902 -0.202 27 HD2 ARG 4 HD2 ARG 4 8.552 -0.484 -2.054 28 HD3 ARG 4 HD1 ARG 4 8.125 0.790 -3.192 29 HE ARG 4 HE ARG 4 9.869 1.808 -1.222 30 HH11 ARG 4 HH11 ARG 4 9.848 -0.278 -4.044 31 HH12 ARG 4 HH12 ARG 4 11.515 -0.013 -4.420 32 HH21 ARG 4 HH21 ARG 4 12.095 2.166 -1.718 33 HH22 ARG 4 HH22 ARG 4 12.805 1.374 -3.078 34 H GLN 5 HN GLN 5 4.628 -1.463 0.264 35 HA GLN 5 HA GLN 5 2.380 -2.161 -1.304 36 HB2 GLN 5 HB2 GLN 5 3.573 -3.400 1.168 37 HB3 GLN 5 HB1 GLN 5 2.216 -4.107 0.297 38 HG2 GLN 5 HG2 GLN 5 3.541 -4.444 -1.646 39 HG3 GLN 5 HG1 GLN 5 4.868 -3.500 -0.972 40 HE21 GLN 5 HE21 GLN 5 4.744 -6.269 -1.937 41 HE22 GLN 5 HE22 GLN 5 5.319 -7.241 -0.621 42 H ALA 6 HN ALA 6 2.728 -1.041 2.021 43 HA ALA 6 HA ALA 6 0.044 -1.284 2.798 44 HB1 ALA 6 HB1 ALA 6 1.852 -0.866 4.390 45 HB2 ALA 6 HB2 ALA 6 0.589 0.357 4.536 46 HB3 ALA 6 HB3 ALA 6 2.095 0.739 3.702 47 H ARG 7 HN ARG 7 1.797 1.349 1.196 48 HA ARG 7 HA ARG 7 -0.218 3.255 1.143 49 HB2 ARG 7 HB2 ARG 7 2.156 3.618 0.592 50 HB3 ARG 7 HB1 ARG 7 1.934 2.687 -0.885 51 HG2 ARG 7 HG2 ARG 7 0.303 4.286 -1.652 52 HG3 ARG 7 HG1 ARG 7 0.529 5.164 -0.146 53 HD2 ARG 7 HD2 ARG 7 1.832 6.267 -1.847 54 HD3 ARG 7 HD1 ARG 7 2.940 5.436 -0.753 55 HE ARG 7 HE ARG 7 2.080 4.162 -3.250 56 HH11 ARG 7 HH11 ARG 7 4.660 5.432 -1.237 57 HH12 ARG 7 HH12 ARG 7 5.917 4.783 -2.232 58 HH21 ARG 7 HH21 ARG 7 3.740 3.316 -4.559 59 HH22 ARG 7 HH22 ARG 7 5.394 3.587 -4.130 60 H ALA 8 HN ALA 8 0.781 0.921 -1.250 61 HA ALA 8 HA ALA 8 -1.211 1.326 -3.162 62 HB1 ALA 8 HB1 ALA 8 0.218 -1.257 -2.537 63 HB2 ALA 8 HB2 ALA 8 0.829 0.028 -3.579 64 HB3 ALA 8 HB3 ALA 8 -0.618 -0.868 -4.039 65 H ALA 9 HN ALA 9 -1.157 -0.859 -0.375 66 HA ALA 9 HA ALA 9 -3.610 -2.139 -0.838 67 HB1 ALA 9 HB1 ALA 9 -3.548 -2.718 1.539 68 HB2 ALA 9 HB2 ALA 9 -2.269 -1.532 1.798 69 HB3 ALA 9 HB3 ALA 9 -1.969 -2.945 0.788 70 H ARG 10 HN ARG 10 -2.805 0.844 0.839 71 HA ARG 10 HA ARG 10 -5.461 1.357 1.729 72 HB2 ARG 10 HB2 ARG 10 -3.028 3.108 1.468 73 HB3 ARG 10 HB1 ARG 10 -4.555 3.684 2.115 74 HG2 ARG 10 HG2 ARG 10 -4.436 2.028 3.900 75 HG3 ARG 10 HG1 ARG 10 -2.912 1.428 3.242 76 HD2 ARG 10 HD2 ARG 10 -2.557 2.952 5.128 77 HD3 ARG 10 HD1 ARG 10 -1.870 3.583 3.632 78 HE ARG 10 HE ARG 10 -4.481 4.574 3.938 79 HH11 ARG 10 HH11 ARG 10 -1.315 4.888 5.386 80 HH12 ARG 10 HH12 ARG 10 -1.556 6.525 5.887 81 HH21 ARG 10 HH21 ARG 10 -4.812 6.752 4.584 82 HH22 ARG 10 HH22 ARG 10 -3.560 7.587 5.433 83 H ALA 11 HN ALA 11 -3.599 2.227 -1.109 84 HA ALA 11 HA ALA 11 -5.433 4.100 -2.170 85 HB1 ALA 11 HB1 ALA 11 -4.227 3.824 -4.264 86 HB2 ALA 11 HB2 ALA 11 -3.445 2.372 -3.637 87 HB3 ALA 11 HB3 ALA 11 -3.101 3.942 -2.911 88 H ALA 12 HN ALA 12 -5.147 0.611 -2.408 89 HA ALA 12 HA ALA 12 -7.249 0.401 -4.371 90 HB1 ALA 12 HB1 ALA 12 -6.931 -2.004 -4.167 91 HB2 ALA 12 HB2 ALA 12 -5.870 -1.756 -2.780 92 HB3 ALA 12 HB3 ALA 12 -5.385 -1.181 -4.376 93 H DAL 13 HN DAL 13 -6.967 0.279 -0.923 94 HA DAL 13 HA DAL 13 -9.870 0.061 -0.740 95 HB1 DAL 13 HB1 DAL 13 -8.787 1.949 0.383 96 HB2 DAL 13 HB2 DAL 13 -7.868 0.823 1.381 97 HB3 DAL 13 HB3 DAL 13 -9.623 0.901 1.529 98 H CYS 14 HN CYS 14 -6.951 -1.459 0.548 99 HA CYS 14 HA CYS 14 -8.643 -3.579 1.673 100 HB2 CYS 14 HB2 CYS 14 -6.385 -4.944 0.988 101 HB3 CYS 14 HB1 CYS 14 -7.846 -4.887 0.013 102 HN1 NH2 15 HN1 NH2 15 -5.141 -3.526 1.660 103 HN2 NH2 15 HN2 NH2 15 -5.075 -3.817 3.358 104 HB11 B0I 101 HB12 B0I 15 -1.117 -6.400 3.778 105 H1 B0I 101 HB11 B0I 15 0.581 -6.775 4.038 106 HD1 B0I 101 HD1 B0I 15 -1.602 -5.113 1.602 107 HD2 B0I 101 HD2 B0I 15 1.859 -7.458 2.246 108 HE2 B0I 101 HE2 B0I 15 2.175 -7.697 -0.182 109 HZ1 B0I 101 HZ1 B0I 15 0.586 -6.633 -1.738 110 H2 B0I 101 HB21 B0I 15 -5.403 -5.852 -0.888 111 HB21 B0I 101 HB22 B0I 15 -5.679 -5.285 -2.536 112 HD3 B0I 101 HD3 B0I 15 -3.233 -6.035 -0.086 113 HD4 B0I 101 HD4 B0I 15 -4.003 -3.537 -3.445 114 HE4 B0I 101 HE4 B0I 15 -1.588 -3.169 -3.728 115 HZ2 B0I 101 HZ2 B0I 15 0.009 -4.234 -2.188 Start of MODEL 17 1 HA1 H00 1 HA1 H00 1 4.378 -6.228 4.975 2 HA2 H00 1 HA2 H00 1 3.938 -5.787 3.323 3 HB1 H00 1 HB1 H00 1 2.696 -4.517 5.756 4 HB2 H00 1 HB2 H00 1 2.024 -5.948 4.970 5 HG1 H00 1 HG1 H00 1 2.163 -4.497 2.814 6 HG2 H00 1 HG2 H00 1 2.235 -3.145 3.947 7 H THR 2 HN THR 2 5.324 -4.395 2.468 8 HA THR 2 HA THR 2 6.952 -2.713 4.149 9 HB THR 2 HB THR 2 7.895 -1.967 1.907 10 HG1 THR 2 HG1 THR 2 7.086 -4.055 0.483 11 HG21 THR 2 HG21 THR 2 8.943 -3.714 3.290 12 HG22 THR 2 HG22 THR 2 9.138 -4.036 1.569 13 HG23 THR 2 HG23 THR 2 7.935 -4.928 2.502 14 HA PRO 3 HA PRO 3 4.863 1.173 4.046 15 HB2 PRO 3 HB2 PRO 3 7.126 2.219 2.390 16 HB3 PRO 3 HB1 PRO 3 6.377 2.915 3.836 17 HG2 PRO 3 HG2 PRO 3 8.709 1.671 4.019 18 HG3 PRO 3 HG1 PRO 3 7.469 1.445 5.268 19 HD2 PRO 3 HD2 PRO 3 8.333 -0.403 3.099 20 HD3 PRO 3 HD1 PRO 3 7.764 -0.773 4.738 21 H ARG 4 HN ARG 4 6.393 0.400 0.904 22 HA ARG 4 HA ARG 4 4.643 1.972 -0.666 23 HB2 ARG 4 HB2 ARG 4 6.145 -0.524 -1.467 24 HB3 ARG 4 HB1 ARG 4 5.401 0.620 -2.576 25 HG2 ARG 4 HG2 ARG 4 6.904 2.373 -1.693 26 HG3 ARG 4 HG1 ARG 4 7.674 1.124 -0.707 27 HD2 ARG 4 HD2 ARG 4 8.950 1.532 -2.753 28 HD3 ARG 4 HD1 ARG 4 8.292 -0.102 -2.724 29 HE ARG 4 HE ARG 4 6.405 1.205 -4.106 30 HH11 ARG 4 HH11 ARG 4 9.903 1.246 -4.414 31 HH12 ARG 4 HH12 ARG 4 9.878 1.488 -6.126 32 HH21 ARG 4 HH21 ARG 4 6.376 1.530 -6.388 33 HH22 ARG 4 HH22 ARG 4 7.871 1.639 -7.253 34 H GLN 5 HN GLN 5 4.620 -1.459 0.125 35 HA GLN 5 HA GLN 5 2.274 -2.137 -1.264 36 HB2 GLN 5 HB2 GLN 5 3.533 -3.374 1.184 37 HB3 GLN 5 HB1 GLN 5 2.161 -4.079 0.332 38 HG2 GLN 5 HG2 GLN 5 3.492 -4.331 -1.667 39 HG3 GLN 5 HG1 GLN 5 4.856 -3.528 -0.890 40 HE21 GLN 5 HE21 GLN 5 4.607 -6.211 -2.039 41 HE22 GLN 5 HE22 GLN 5 5.054 -7.310 -0.776 42 H ALA 6 HN ALA 6 2.765 -0.910 1.999 43 HA ALA 6 HA ALA 6 0.096 -1.187 2.881 44 HB1 ALA 6 HB1 ALA 6 2.186 0.792 3.784 45 HB2 ALA 6 HB2 ALA 6 1.981 -0.845 4.408 46 HB3 ALA 6 HB3 ALA 6 0.716 0.359 4.658 47 H ARG 7 HN ARG 7 1.794 1.399 1.193 48 HA ARG 7 HA ARG 7 -0.345 3.286 1.298 49 HB2 ARG 7 HB2 ARG 7 1.925 3.087 -0.691 50 HB3 ARG 7 HB1 ARG 7 0.899 4.492 -0.434 51 HG2 ARG 7 HG2 ARG 7 1.782 4.824 1.755 52 HG3 ARG 7 HG1 ARG 7 2.644 3.283 1.675 53 HD2 ARG 7 HD2 ARG 7 3.959 4.181 -0.227 54 HD3 ARG 7 HD1 ARG 7 3.168 5.738 0.007 55 HE ARG 7 HE ARG 7 4.194 5.185 2.447 56 HH11 ARG 7 HH11 ARG 7 5.570 5.288 -0.768 57 HH12 ARG 7 HH12 ARG 7 7.142 5.756 -0.225 58 HH21 ARG 7 HH21 ARG 7 6.292 5.816 3.175 59 HH22 ARG 7 HH22 ARG 7 7.550 6.060 2.021 60 H ALA 8 HN ALA 8 0.753 0.916 -1.054 61 HA ALA 8 HA ALA 8 -1.143 1.461 -3.065 62 HB1 ALA 8 HB1 ALA 8 -0.587 -0.751 -3.944 63 HB2 ALA 8 HB2 ALA 8 0.218 -1.160 -2.429 64 HB3 ALA 8 HB3 ALA 8 0.869 0.117 -3.456 65 H ALA 9 HN ALA 9 -1.212 -0.668 -0.257 66 HA ALA 9 HA ALA 9 -3.663 -1.934 -0.760 67 HB1 ALA 9 HB1 ALA 9 -3.679 -2.461 1.623 68 HB2 ALA 9 HB2 ALA 9 -2.416 -1.265 1.908 69 HB3 ALA 9 HB3 ALA 9 -2.070 -2.700 0.942 70 H ARG 10 HN ARG 10 -2.878 1.089 0.907 71 HA ARG 10 HA ARG 10 -5.489 1.702 1.742 72 HB2 ARG 10 HB2 ARG 10 -3.507 2.811 2.654 73 HB3 ARG 10 HB1 ARG 10 -3.187 3.547 1.089 74 HG2 ARG 10 HG2 ARG 10 -5.361 4.720 1.254 75 HG3 ARG 10 HG1 ARG 10 -5.542 4.042 2.873 76 HD2 ARG 10 HD2 ARG 10 -3.241 5.779 1.997 77 HD3 ARG 10 HD1 ARG 10 -4.670 6.374 2.836 78 HE ARG 10 HE ARG 10 -3.350 4.235 4.221 79 HH11 ARG 10 HH11 ARG 10 -3.335 7.699 3.658 80 HH12 ARG 10 HH12 ARG 10 -2.607 8.072 5.184 81 HH21 ARG 10 HH21 ARG 10 -2.380 4.729 6.235 82 HH22 ARG 10 HH22 ARG 10 -2.054 6.379 6.646 83 H ALA 11 HN ALA 11 -3.727 2.322 -1.233 84 HA ALA 11 HA ALA 11 -5.610 4.089 -2.385 85 HB1 ALA 11 HB1 ALA 11 -3.585 2.319 -3.751 86 HB2 ALA 11 HB2 ALA 11 -3.292 3.952 -3.155 87 HB3 ALA 11 HB3 ALA 11 -4.425 3.687 -4.481 88 H ALA 12 HN ALA 12 -5.169 0.583 -2.599 89 HA ALA 12 HA ALA 12 -7.323 0.260 -4.478 90 HB1 ALA 12 HB1 ALA 12 -5.388 -1.239 -4.487 91 HB2 ALA 12 HB2 ALA 12 -6.898 -2.122 -4.263 92 HB3 ALA 12 HB3 ALA 12 -5.839 -1.824 -2.885 93 H DAL 13 HN DAL 13 -6.944 0.038 -1.016 94 HA DAL 13 HA DAL 13 -9.848 -0.286 -0.781 95 HB1 DAL 13 HB1 DAL 13 -9.612 0.624 1.460 96 HB2 DAL 13 HB2 DAL 13 -8.854 1.695 0.280 97 HB3 DAL 13 HB3 DAL 13 -7.857 0.644 1.285 98 H CYS 14 HN CYS 14 -6.849 -1.423 0.753 99 HA CYS 14 HA CYS 14 -8.305 -3.811 1.652 100 HB2 CYS 14 HB2 CYS 14 -5.507 -4.311 1.027 101 HB3 CYS 14 HB1 CYS 14 -6.939 -5.208 0.548 102 HN1 NH2 15 HN1 NH2 15 -8.429 -2.848 3.702 103 HN2 NH2 15 HN2 NH2 15 -7.084 -2.974 4.773 104 HB11 B0I 101 HB12 B0I 15 -1.288 -6.104 3.603 105 H1 B0I 101 HB11 B0I 15 0.387 -6.570 3.875 106 HD1 B0I 101 HD1 B0I 15 -1.746 -4.854 1.450 107 HD2 B0I 101 HD2 B0I 15 1.702 -7.209 2.090 108 HE2 B0I 101 HE2 B0I 15 2.026 -7.428 -0.340 109 HZ1 B0I 101 HZ1 B0I 15 0.446 -6.343 -1.887 110 H2 B0I 101 HB21 B0I 15 -5.474 -5.833 -1.253 111 HB21 B0I 101 HB22 B0I 15 -5.740 -5.120 -2.845 112 HD3 B0I 101 HD3 B0I 15 -3.345 -5.908 -0.347 113 HD4 B0I 101 HD4 B0I 15 -4.139 -3.263 -3.581 114 HE4 B0I 101 HE4 B0I 15 -1.740 -2.740 -3.748 115 HZ2 B0I 101 HZ2 B0I 15 -0.141 -3.806 -2.210 Start of MODEL 18 1 HA1 H00 1 HA1 H00 1 3.812 -6.258 3.200 2 HA2 H00 1 HA2 H00 1 3.354 -5.645 1.608 3 HB1 H00 1 HB1 H00 1 2.142 -4.783 4.237 4 HB2 H00 1 HB2 H00 1 1.404 -5.907 3.092 5 HG1 H00 1 HG1 H00 1 1.408 -4.136 1.385 6 HG2 H00 1 HG2 H00 1 2.077 -3.015 2.573 7 H THR 2 HN THR 2 4.585 -4.050 0.858 8 HA THR 2 HA THR 2 6.429 -2.690 2.599 9 HB THR 2 HB THR 2 7.152 -1.517 0.519 10 HG1 THR 2 HG1 THR 2 5.896 -2.986 -1.302 11 HG21 THR 2 HG21 THR 2 8.030 -3.497 -0.639 12 HG22 THR 2 HG22 THR 2 6.882 -4.513 0.231 13 HG23 THR 2 HG23 THR 2 8.158 -3.674 1.111 14 HA PRO 3 HA PRO 3 4.194 1.028 3.547 15 HB2 PRO 3 HB2 PRO 3 6.433 2.558 2.302 16 HB3 PRO 3 HB1 PRO 3 5.721 2.720 3.915 17 HG2 PRO 3 HG2 PRO 3 8.081 1.551 3.619 18 HG3 PRO 3 HG1 PRO 3 6.888 0.892 4.756 19 HD2 PRO 3 HD2 PRO 3 7.649 -0.077 2.031 20 HD3 PRO 3 HD1 PRO 3 7.274 -1.009 3.496 21 H ARG 4 HN ARG 4 5.678 0.802 0.371 22 HA ARG 4 HA ARG 4 4.145 2.789 -0.937 23 HB2 ARG 4 HB2 ARG 4 5.355 0.304 -2.158 24 HB3 ARG 4 HB1 ARG 4 4.927 1.789 -2.996 25 HG2 ARG 4 HG2 ARG 4 6.643 2.991 -1.773 26 HG3 ARG 4 HG1 ARG 4 7.044 1.517 -0.889 27 HD2 ARG 4 HD2 ARG 4 7.629 0.434 -3.022 28 HD3 ARG 4 HD1 ARG 4 7.301 1.949 -3.860 29 HE ARG 4 HE ARG 4 9.120 2.548 -1.883 30 HH11 ARG 4 HH11 ARG 4 9.034 0.451 -4.694 31 HH12 ARG 4 HH12 ARG 4 10.734 0.563 -4.986 32 HH21 ARG 4 HH21 ARG 4 11.377 2.684 -2.261 33 HH22 ARG 4 HH22 ARG 4 12.067 1.834 -3.597 34 H GLN 5 HN GLN 5 3.831 -0.732 -0.728 35 HA GLN 5 HA GLN 5 1.435 -0.940 -2.187 36 HB2 GLN 5 HB2 GLN 5 2.690 -2.727 -0.109 37 HB3 GLN 5 HB1 GLN 5 1.215 -3.154 -0.972 38 HG2 GLN 5 HG2 GLN 5 2.366 -3.177 -3.061 39 HG3 GLN 5 HG1 GLN 5 3.823 -2.514 -2.322 40 HE21 GLN 5 HE21 GLN 5 3.384 -4.991 -3.819 41 HE22 GLN 5 HE22 GLN 5 3.920 -6.271 -2.782 42 H ALA 6 HN ALA 6 2.093 -0.505 1.247 43 HA ALA 6 HA ALA 6 -0.548 -0.768 2.172 44 HB1 ALA 6 HB1 ALA 6 0.233 0.404 4.172 45 HB2 ALA 6 HB2 ALA 6 1.702 0.882 3.323 46 HB3 ALA 6 HB3 ALA 6 1.391 -0.822 3.658 47 H ARG 7 HN ARG 7 1.296 2.086 1.118 48 HA ARG 7 HA ARG 7 -0.671 3.992 1.589 49 HB2 ARG 7 HB2 ARG 7 1.613 4.618 1.249 50 HB3 ARG 7 HB1 ARG 7 1.643 3.852 -0.334 51 HG2 ARG 7 HG2 ARG 7 0.180 5.473 -1.230 52 HG3 ARG 7 HG1 ARG 7 -0.121 6.102 0.386 53 HD2 ARG 7 HD2 ARG 7 1.424 7.559 -0.856 54 HD3 ARG 7 HD1 ARG 7 2.220 6.831 0.538 55 HE ARG 7 HE ARG 7 2.591 5.244 -1.778 56 HH11 ARG 7 HH11 ARG 7 3.693 8.242 -0.317 57 HH12 ARG 7 HH12 ARG 7 5.242 8.195 -1.076 58 HH21 ARG 7 HH21 ARG 7 4.631 5.183 -2.790 59 HH22 ARG 7 HH22 ARG 7 5.783 6.438 -2.493 60 H ALA 8 HN ALA 8 0.259 2.248 -1.318 61 HA ALA 8 HA ALA 8 -1.652 3.298 -3.060 62 HB1 ALA 8 HB1 ALA 8 0.316 2.046 -3.806 63 HB2 ALA 8 HB2 ALA 8 -1.172 1.395 -4.496 64 HB3 ALA 8 HB3 ALA 8 -0.384 0.564 -3.154 65 H ALA 9 HN ALA 9 -1.835 0.548 -0.846 66 HA ALA 9 HA ALA 9 -4.287 -0.505 -1.717 67 HB1 ALA 9 HB1 ALA 9 -3.174 -0.504 1.087 68 HB2 ALA 9 HB2 ALA 9 -2.764 -1.663 -0.175 69 HB3 ALA 9 HB3 ALA 9 -4.411 -1.591 0.452 70 H ARG 10 HN ARG 10 -3.545 1.937 0.721 71 HA ARG 10 HA ARG 10 -6.236 2.414 1.476 72 HB2 ARG 10 HB2 ARG 10 -3.796 4.183 1.702 73 HB3 ARG 10 HB1 ARG 10 -5.341 4.504 2.475 74 HG2 ARG 10 HG2 ARG 10 -5.123 2.480 3.798 75 HG3 ARG 10 HG1 ARG 10 -3.597 2.105 2.992 76 HD2 ARG 10 HD2 ARG 10 -2.623 4.164 3.874 77 HD3 ARG 10 HD1 ARG 10 -4.149 4.556 4.662 78 HE ARG 10 HE ARG 10 -3.313 2.019 5.515 79 HH11 ARG 10 HH11 ARG 10 -2.423 5.396 5.851 80 HH12 ARG 10 HH12 ARG 10 -1.661 5.185 7.388 81 HH21 ARG 10 HH21 ARG 10 -2.316 1.730 7.561 82 HH22 ARG 10 HH22 ARG 10 -1.603 3.084 8.371 83 H ALA 11 HN ALA 11 -4.074 3.845 -0.896 84 HA ALA 11 HA ALA 11 -5.776 5.958 -1.679 85 HB1 ALA 11 HB1 ALA 11 -3.369 5.943 -2.138 86 HB2 ALA 11 HB2 ALA 11 -4.312 6.184 -3.609 87 HB3 ALA 11 HB3 ALA 11 -3.597 4.609 -3.268 88 H ALA 12 HN ALA 12 -5.395 2.642 -2.852 89 HA ALA 12 HA ALA 12 -7.209 3.020 -5.050 90 HB1 ALA 12 HB1 ALA 12 -5.379 1.391 -5.167 91 HB2 ALA 12 HB2 ALA 12 -6.948 0.630 -5.427 92 HB3 ALA 12 HB3 ALA 12 -6.132 0.460 -3.873 93 H DAL 13 HN DAL 13 -7.407 1.668 -1.812 94 HA DAL 13 HA DAL 13 -10.331 1.649 -2.106 95 HB1 DAL 13 HB1 DAL 13 -10.437 1.876 0.314 96 HB2 DAL 13 HB2 DAL 13 -9.454 3.161 -0.388 97 HB3 DAL 13 HB3 DAL 13 -8.678 1.794 0.412 98 H CYS 14 HN CYS 14 -7.583 -0.221 -0.948 99 HA CYS 14 HA CYS 14 -9.282 -2.608 -1.005 100 HB2 CYS 14 HB2 CYS 14 -6.438 -3.100 -0.710 101 HB3 CYS 14 HB1 CYS 14 -7.555 -3.694 -1.929 102 HN1 NH2 15 HN1 NH2 15 -10.055 -1.837 1.286 103 HN2 NH2 15 HN2 NH2 15 -9.442 -3.217 2.125 104 HB11 B0I 101 HB12 B0I 15 -2.214 -4.696 2.522 105 H1 B0I 101 HB11 B0I 15 -0.862 -5.769 2.855 106 HD1 B0I 101 HD1 B0I 15 -2.179 -3.458 0.346 107 HD2 B0I 101 HD2 B0I 15 0.294 -6.795 1.113 108 HE2 B0I 101 HE2 B0I 15 0.600 -7.152 -1.301 109 HZ1 B0I 101 HZ1 B0I 15 -0.496 -5.644 -2.910 110 H2 B0I 101 HB21 B0I 15 -5.827 -3.934 -3.345 111 HB21 B0I 101 HB22 B0I 15 -5.702 -2.774 -4.670 112 HD3 B0I 101 HD3 B0I 15 -3.971 -4.424 -1.961 113 HD4 B0I 101 HD4 B0I 15 -3.754 -1.254 -4.788 114 HE4 B0I 101 HE4 B0I 15 -1.331 -1.089 -4.428 115 HZ2 B0I 101 HZ2 B0I 15 -0.219 -2.597 -2.825 Start of MODEL 19 1 HA1 H00 1 HA1 H00 1 3.485 -6.112 3.277 2 HA2 H00 1 HA2 H00 1 3.052 -5.466 1.692 3 HB1 H00 1 HB1 H00 1 1.925 -4.428 4.294 4 HB2 H00 1 HB2 H00 1 1.136 -5.668 3.316 5 HG1 H00 1 HG1 H00 1 1.779 -3.578 1.555 6 HG2 H00 1 HG2 H00 1 1.117 -2.812 3.000 7 H THR 2 HN THR 2 4.484 -4.055 0.952 8 HA THR 2 HA THR 2 6.345 -2.746 2.713 9 HB THR 2 HB THR 2 7.195 -1.696 0.599 10 HG1 THR 2 HG1 THR 2 5.504 -3.414 -0.850 11 HG21 THR 2 HG21 THR 2 6.823 -4.694 0.497 12 HG22 THR 2 HG22 THR 2 8.098 -3.842 1.366 13 HG23 THR 2 HG23 THR 2 8.037 -3.780 -0.396 14 HA PRO 3 HA PRO 3 4.455 1.194 3.487 15 HB2 PRO 3 HB2 PRO 3 6.713 2.438 1.972 16 HB3 PRO 3 HB1 PRO 3 6.085 2.837 3.577 17 HG2 PRO 3 HG2 PRO 3 8.343 1.467 3.332 18 HG3 PRO 3 HG1 PRO 3 7.164 1.047 4.589 19 HD2 PRO 3 HD2 PRO 3 7.771 -0.336 2.020 20 HD3 PRO 3 HD1 PRO 3 7.303 -1.021 3.588 21 H ARG 4 HN ARG 4 5.874 0.913 0.244 22 HA ARG 4 HA ARG 4 4.262 2.823 -1.048 23 HB2 ARG 4 HB2 ARG 4 5.544 0.330 -2.179 24 HB3 ARG 4 HB1 ARG 4 4.906 1.662 -3.131 25 HG2 ARG 4 HG2 ARG 4 6.569 3.156 -2.231 26 HG3 ARG 4 HG1 ARG 4 7.132 1.876 -1.146 27 HD2 ARG 4 HD2 ARG 4 7.981 0.592 -2.937 28 HD3 ARG 4 HD1 ARG 4 7.125 1.558 -4.133 29 HE ARG 4 HE ARG 4 8.678 3.359 -3.687 30 HH11 ARG 4 HH11 ARG 4 9.612 0.237 -2.382 31 HH12 ARG 4 HH12 ARG 4 11.303 0.590 -2.420 32 HH21 ARG 4 HH21 ARG 4 10.918 3.818 -3.740 33 HH22 ARG 4 HH22 ARG 4 12.047 2.633 -3.175 34 H GLN 5 HN GLN 5 3.963 -0.677 -0.808 35 HA GLN 5 HA GLN 5 1.537 -0.918 -2.229 36 HB2 GLN 5 HB2 GLN 5 2.825 -2.686 -0.160 37 HB3 GLN 5 HB1 GLN 5 1.347 -3.125 -1.009 38 HG2 GLN 5 HG2 GLN 5 2.470 -3.207 -3.092 39 HG3 GLN 5 HG1 GLN 5 3.915 -2.457 -2.414 40 HE21 GLN 5 HE21 GLN 5 3.563 -5.017 -3.792 41 HE22 GLN 5 HE22 GLN 5 4.162 -6.221 -2.702 42 H ALA 6 HN ALA 6 2.213 -0.495 1.213 43 HA ALA 6 HA ALA 6 -0.395 -0.914 2.164 44 HB1 ALA 6 HB1 ALA 6 0.342 0.167 4.201 45 HB2 ALA 6 HB2 ALA 6 1.736 0.850 3.364 46 HB3 ALA 6 HB3 ALA 6 1.613 -0.894 3.593 47 H ARG 7 HN ARG 7 1.250 2.070 1.178 48 HA ARG 7 HA ARG 7 -0.990 3.742 1.772 49 HB2 ARG 7 HB2 ARG 7 1.317 4.291 -0.094 50 HB3 ARG 7 HB1 ARG 7 0.224 5.485 0.590 51 HG2 ARG 7 HG2 ARG 7 1.058 5.000 2.819 52 HG3 ARG 7 HG1 ARG 7 2.113 3.750 2.149 53 HD2 ARG 7 HD2 ARG 7 2.238 6.714 1.630 54 HD3 ARG 7 HD1 ARG 7 3.410 5.738 2.516 55 HE ARG 7 HE ARG 7 2.898 5.132 -0.301 56 HH11 ARG 7 HH11 ARG 7 5.088 6.365 2.148 57 HH12 ARG 7 HH12 ARG 7 6.468 6.329 1.109 58 HH21 ARG 7 HH21 ARG 7 4.700 5.098 -1.675 59 HH22 ARG 7 HH22 ARG 7 6.249 5.604 -1.087 60 H ALA 8 HN ALA 8 0.286 2.246 -1.147 61 HA ALA 8 HA ALA 8 -1.496 3.351 -2.997 62 HB1 ALA 8 HB1 ALA 8 0.535 2.137 -3.641 63 HB2 ALA 8 HB2 ALA 8 -0.890 1.497 -4.460 64 HB3 ALA 8 HB3 ALA 8 -0.196 0.629 -3.090 65 H ALA 9 HN ALA 9 -1.776 0.459 -0.983 66 HA ALA 9 HA ALA 9 -4.177 -0.522 -2.048 67 HB1 ALA 9 HB1 ALA 9 -2.757 -1.832 -0.553 68 HB2 ALA 9 HB2 ALA 9 -4.405 -1.738 0.071 69 HB3 ALA 9 HB3 ALA 9 -3.137 -0.739 0.779 70 H ARG 10 HN ARG 10 -3.556 1.730 0.604 71 HA ARG 10 HA ARG 10 -6.266 2.098 1.322 72 HB2 ARG 10 HB2 ARG 10 -3.906 3.942 1.724 73 HB3 ARG 10 HB1 ARG 10 -5.461 4.091 2.528 74 HG2 ARG 10 HG2 ARG 10 -3.534 1.793 2.811 75 HG3 ARG 10 HG1 ARG 10 -3.814 3.069 3.994 76 HD2 ARG 10 HD2 ARG 10 -6.176 2.346 4.136 77 HD3 ARG 10 HD1 ARG 10 -5.802 1.011 3.049 78 HE ARG 10 HE ARG 10 -4.436 1.321 5.638 79 HH11 ARG 10 HH11 ARG 10 -6.287 -0.635 3.375 80 HH12 ARG 10 HH12 ARG 10 -6.218 -2.051 4.360 81 HH21 ARG 10 HH21 ARG 10 -4.362 -0.568 6.941 82 HH22 ARG 10 HH22 ARG 10 -5.128 -2.020 6.383 83 H ALA 11 HN ALA 11 -4.106 3.797 -0.880 84 HA ALA 11 HA ALA 11 -5.888 5.889 -1.544 85 HB1 ALA 11 HB1 ALA 11 -3.615 4.756 -3.169 86 HB2 ALA 11 HB2 ALA 11 -3.472 6.012 -1.940 87 HB3 ALA 11 HB3 ALA 11 -4.391 6.320 -3.415 88 H ALA 12 HN ALA 12 -5.568 2.611 -2.676 89 HA ALA 12 HA ALA 12 -7.224 3.046 -5.004 90 HB1 ALA 12 HB1 ALA 12 -6.247 0.461 -3.800 91 HB2 ALA 12 HB2 ALA 12 -5.417 1.387 -5.048 92 HB3 ALA 12 HB3 ALA 12 -6.986 0.658 -5.388 93 H DAL 13 HN DAL 13 -7.584 1.690 -1.776 94 HA DAL 13 HA DAL 13 -10.474 1.435 -2.302 95 HB1 DAL 13 HB1 DAL 13 -10.903 2.146 -0.012 96 HB2 DAL 13 HB2 DAL 13 -9.998 3.376 -0.893 97 HB3 DAL 13 HB3 DAL 13 -9.172 2.333 0.265 98 H CYS 14 HN CYS 14 -7.658 -0.137 -1.387 99 HA CYS 14 HA CYS 14 -9.130 -2.531 -0.729 100 HB2 CYS 14 HB2 CYS 14 -6.195 -2.592 -0.571 101 HB3 CYS 14 HB1 CYS 14 -7.298 -3.657 -1.428 102 HN1 NH2 15 HN1 NH2 15 -8.827 -2.599 2.667 103 HN2 NH2 15 HN2 NH2 15 -9.927 -2.230 1.391 104 HB11 B0I 101 HB12 B0I 15 -0.973 -6.426 1.376 105 H1 B0I 101 HB11 B0I 15 0.753 -6.072 1.319 106 HD1 B0I 101 HD1 B0I 15 -1.701 -4.048 -0.417 107 HD2 B0I 101 HD2 B0I 15 1.147 -7.164 -0.765 108 HE2 B0I 101 HE2 B0I 15 1.058 -6.994 -3.214 109 HZ1 B0I 101 HZ1 B0I 15 -0.423 -5.340 -4.277 110 H2 B0I 101 HB21 B0I 15 -5.901 -4.098 -3.076 111 HB21 B0I 101 HB22 B0I 15 -6.039 -3.253 -4.620 112 HD3 B0I 101 HD3 B0I 15 -3.773 -4.736 -2.533 113 HD4 B0I 101 HD4 B0I 15 -4.329 -1.114 -4.692 114 HE4 B0I 101 HE4 B0I 15 -1.894 -0.748 -4.712 115 HZ2 B0I 101 HZ2 B0I 15 -0.397 -2.383 -3.638 Start of MODEL 20 1 HA1 H00 1 HA1 H00 1 3.667 -6.324 3.135 2 HA2 H00 1 HA2 H00 1 3.430 -5.683 1.506 3 HB1 H00 1 HB1 H00 1 1.899 -4.723 3.921 4 HB2 H00 1 HB2 H00 1 1.320 -5.996 2.842 5 HG1 H00 1 HG1 H00 1 1.517 -4.390 0.952 6 HG2 H00 1 HG2 H00 1 1.907 -3.130 2.124 7 H THR 2 HN THR 2 4.630 -3.983 0.941 8 HA THR 2 HA THR 2 6.277 -2.704 2.944 9 HB THR 2 HB THR 2 7.241 -1.478 0.973 10 HG1 THR 2 HG1 THR 2 6.316 -3.009 -0.989 11 HG21 THR 2 HG21 THR 2 8.235 -3.582 1.745 12 HG22 THR 2 HG22 THR 2 8.345 -3.437 -0.010 13 HG23 THR 2 HG23 THR 2 7.127 -4.487 0.714 14 HA PRO 3 HA PRO 3 3.987 1.022 3.695 15 HB2 PRO 3 HB2 PRO 3 6.372 2.505 2.675 16 HB3 PRO 3 HB1 PRO 3 5.475 2.725 4.184 17 HG2 PRO 3 HG2 PRO 3 7.824 1.503 4.210 18 HG3 PRO 3 HG1 PRO 3 6.485 0.894 5.205 19 HD2 PRO 3 HD2 PRO 3 7.582 -0.174 2.641 20 HD3 PRO 3 HD1 PRO 3 6.954 -1.049 4.054 21 H ARG 4 HN ARG 4 5.765 0.808 0.663 22 HA ARG 4 HA ARG 4 4.389 2.826 -0.761 23 HB2 ARG 4 HB2 ARG 4 5.634 0.312 -1.887 24 HB3 ARG 4 HB1 ARG 4 5.308 1.803 -2.757 25 HG2 ARG 4 HG2 ARG 4 6.974 2.968 -1.447 26 HG3 ARG 4 HG1 ARG 4 7.247 1.513 -0.482 27 HD2 ARG 4 HD2 ARG 4 7.747 1.803 -3.443 28 HD3 ARG 4 HD1 ARG 4 8.980 1.774 -2.185 29 HE ARG 4 HE ARG 4 7.225 -0.513 -2.832 30 HH11 ARG 4 HH11 ARG 4 10.338 0.772 -1.825 31 HH12 ARG 4 HH12 ARG 4 11.094 -0.779 -1.743 32 HH21 ARG 4 HH21 ARG 4 8.232 -2.576 -2.709 33 HH22 ARG 4 HH22 ARG 4 9.893 -2.690 -2.240 34 H GLN 5 HN GLN 5 3.976 -0.690 -0.622 35 HA GLN 5 HA GLN 5 1.710 -0.839 -2.293 36 HB2 GLN 5 HB2 GLN 5 2.645 -2.686 -0.098 37 HB3 GLN 5 HB1 GLN 5 1.366 -3.069 -1.244 38 HG2 GLN 5 HG2 GLN 5 2.924 -2.994 -3.072 39 HG3 GLN 5 HG1 GLN 5 4.211 -2.455 -1.993 40 HE21 GLN 5 HE21 GLN 5 4.019 -4.817 -3.703 41 HE22 GLN 5 HE22 GLN 5 4.258 -6.177 -2.657 42 H ALA 6 HN ALA 6 2.074 -0.550 1.203 43 HA ALA 6 HA ALA 6 -0.633 -0.794 1.898 44 HB1 ALA 6 HB1 ALA 6 1.188 -0.940 3.529 45 HB2 ALA 6 HB2 ALA 6 -0.010 0.262 4.009 46 HB3 ALA 6 HB3 ALA 6 1.524 0.776 3.307 47 H ARG 7 HN ARG 7 1.278 1.992 0.864 48 HA ARG 7 HA ARG 7 -0.696 3.920 1.405 49 HB2 ARG 7 HB2 ARG 7 1.664 4.488 1.208 50 HB3 ARG 7 HB1 ARG 7 1.680 3.929 -0.459 51 HG2 ARG 7 HG2 ARG 7 1.592 6.322 -0.421 52 HG3 ARG 7 HG1 ARG 7 0.074 5.639 -1.021 53 HD2 ARG 7 HD2 ARG 7 -0.270 7.528 0.560 54 HD3 ARG 7 HD1 ARG 7 -1.009 6.016 1.088 55 HE ARG 7 HE ARG 7 1.648 6.501 2.110 56 HH11 ARG 7 HH11 ARG 7 -1.784 6.902 2.665 57 HH12 ARG 7 HH12 ARG 7 -1.626 7.098 4.377 58 HH21 ARG 7 HH21 ARG 7 1.878 6.734 4.382 59 HH22 ARG 7 HH22 ARG 7 0.475 6.997 5.357 60 H ALA 8 HN ALA 8 0.274 2.075 -1.448 61 HA ALA 8 HA ALA 8 -1.526 3.271 -3.259 62 HB1 ALA 8 HB1 ALA 8 -1.049 1.372 -4.701 63 HB2 ALA 8 HB2 ALA 8 -0.332 0.501 -3.345 64 HB3 ALA 8 HB3 ALA 8 0.435 1.967 -3.956 65 H ALA 9 HN ALA 9 -1.799 0.554 -1.051 66 HA ALA 9 HA ALA 9 -4.267 -0.453 -1.953 67 HB1 ALA 9 HB1 ALA 9 -4.376 -1.616 0.167 68 HB2 ALA 9 HB2 ALA 9 -3.140 -0.556 0.842 69 HB3 ALA 9 HB3 ALA 9 -2.728 -1.673 -0.459 70 H ARG 10 HN ARG 10 -3.451 1.915 0.556 71 HA ARG 10 HA ARG 10 -6.126 2.391 1.362 72 HB2 ARG 10 HB2 ARG 10 -3.668 4.127 1.626 73 HB3 ARG 10 HB1 ARG 10 -5.207 4.466 2.399 74 HG2 ARG 10 HG2 ARG 10 -5.023 2.328 3.620 75 HG3 ARG 10 HG1 ARG 10 -3.431 2.088 2.897 76 HD2 ARG 10 HD2 ARG 10 -2.682 4.202 3.914 77 HD3 ARG 10 HD1 ARG 10 -4.262 4.379 4.674 78 HE ARG 10 HE ARG 10 -2.787 1.936 5.253 79 HH11 ARG 10 HH11 ARG 10 -3.776 5.131 6.322 80 HH12 ARG 10 HH12 ARG 10 -3.370 4.849 7.977 81 HH21 ARG 10 HH21 ARG 10 -2.254 1.553 7.449 82 HH22 ARG 10 HH22 ARG 10 -2.492 2.803 8.623 83 H ALA 11 HN ALA 11 -4.093 3.708 -1.145 84 HA ALA 11 HA ALA 11 -5.665 5.963 -1.778 85 HB1 ALA 11 HB1 ALA 11 -4.413 6.028 -3.855 86 HB2 ALA 11 HB2 ALA 11 -3.836 4.384 -3.580 87 HB3 ALA 11 HB3 ALA 11 -3.335 5.686 -2.501 88 H ALA 12 HN ALA 12 -5.650 2.642 -2.999 89 HA ALA 12 HA ALA 12 -7.772 3.180 -4.872 90 HB1 ALA 12 HB1 ALA 12 -6.029 1.532 -5.379 91 HB2 ALA 12 HB2 ALA 12 -7.639 0.813 -5.412 92 HB3 ALA 12 HB3 ALA 12 -6.580 0.542 -4.027 93 H DAL 13 HN DAL 13 -7.462 1.655 -1.712 94 HA DAL 13 HA DAL 13 -10.400 1.672 -1.526 95 HB1 DAL 13 HB1 DAL 13 -10.125 1.881 0.882 96 HB2 DAL 13 HB2 DAL 13 -9.271 3.173 0.040 97 HB3 DAL 13 HB3 DAL 13 -8.372 1.807 0.701 98 H CYS 14 HN CYS 14 -7.538 -0.282 -1.141 99 HA CYS 14 HA CYS 14 -9.272 -2.608 -0.701 100 HB2 CYS 14 HB2 CYS 14 -6.611 -3.392 -1.314 101 HB3 CYS 14 HB1 CYS 14 -8.061 -3.596 -2.288 102 HN1 NH2 15 HN1 NH2 15 -9.433 -2.350 1.545 103 HN2 NH2 15 HN2 NH2 15 -8.081 -2.058 2.570 104 HB11 B0I 101 HB12 B0I 15 -2.197 -5.088 1.441 105 H1 B0I 101 HB11 B0I 15 -0.725 -6.030 1.631 106 HD1 B0I 101 HD1 B0I 15 -2.430 -3.622 -0.504 107 HD2 B0I 101 HD2 B0I 15 0.754 -6.386 -0.173 108 HE2 B0I 101 HE2 B0I 15 1.166 -6.233 -2.592 109 HZ1 B0I 101 HZ1 B0I 15 -0.233 -4.760 -3.983 110 H2 B0I 101 HB21 B0I 15 -6.064 -3.872 -3.741 111 HB21 B0I 101 HB22 B0I 15 -6.165 -2.713 -5.068 112 HD3 B0I 101 HD3 B0I 15 -4.031 -4.266 -2.633 113 HD4 B0I 101 HD4 B0I 15 -4.386 -0.962 -5.287 114 HE4 B0I 101 HE4 B0I 15 -1.959 -0.598 -5.167 115 HZ2 B0I 101 HZ2 B0I 15 -0.562 -2.072 -3.776
Contact the webmaster for help, if required. Wednesday, July 3, 2024 2:07:44 AM GMT (wattos1)