NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
551428 | 2lx5 | 18659 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H ASP 1 1.486 0.398 0.980 2 HA ASP 1 HA ASP 1 1.246 -0.951 -1.545 3 HB2 ASP 1 2HB ASP 1 1.128 1.947 -1.441 4 HB3 ASP 1 3HB ASP 1 2.511 1.393 -2.381 5 HA PRO 2 HA PRO 2 5.465 -1.896 -0.813 6 HB2 PRO 2 2HB PRO 2 6.487 -2.011 -3.325 7 HB3 PRO 2 3HB PRO 2 5.391 -3.237 -2.677 8 HG2 PRO 2 2HG PRO 2 4.792 -0.923 -4.479 9 HG3 PRO 2 3HG PRO 2 4.206 -2.594 -4.572 10 HD2 PRO 2 2HD PRO 2 2.711 -0.581 -3.550 11 HD3 PRO 2 3HD PRO 2 2.594 -2.251 -2.960 12 H ARG 3 H ARG 3 4.709 0.963 -2.648 13 HA ARG 3 HA ARG 3 7.423 1.995 -2.452 14 HB2 ARG 3 2HB ARG 3 4.919 3.251 -3.592 15 HB3 ARG 3 3HB ARG 3 6.538 3.929 -3.696 16 HG2 ARG 3 2HG ARG 3 6.890 1.425 -4.736 17 HG3 ARG 3 3HG ARG 3 5.269 1.847 -5.292 18 HD2 ARG 3 2HD ARG 3 7.408 3.894 -5.542 19 HD3 ARG 3 3HD ARG 3 7.445 2.522 -6.649 20 HE ARG 3 HE ARG 3 4.851 3.561 -6.633 21 HH11 ARG 3 1HH1 ARG 3 8.063 4.480 -7.614 22 HH12 ARG 3 2HH1 ARG 3 7.517 5.510 -8.896 23 HH21 ARG 3 1HH2 ARG 3 4.121 4.914 -8.317 24 HH22 ARG 3 2HH2 ARG 3 5.275 5.757 -9.294 25 H ILE 4 H ILE 4 4.816 1.803 -0.443 26 HA ILE 4 HA ILE 4 5.264 4.419 0.803 27 HB ILE 4 HB ILE 4 3.129 2.342 1.298 28 HG12 ILE 4 2HG1 ILE 4 2.955 5.130 0.136 29 HG13 ILE 4 3HG1 ILE 4 2.925 3.643 -0.805 30 HG21 ILE 4 1HG2 ILE 4 3.641 4.987 2.642 31 HG22 ILE 4 2HG2 ILE 4 2.108 4.121 2.740 32 HG23 ILE 4 3HG2 ILE 4 3.576 3.391 3.388 33 HD11 ILE 4 3HD1 ILE 4 0.700 4.050 -0.656 34 HD12 ILE 4 1HD1 ILE 4 0.911 3.090 0.808 35 HD13 ILE 4 2HD1 ILE 4 0.836 4.849 0.911 36 H ALA 5 H ALA 5 5.821 1.030 1.253 37 HA ALA 5 HA ALA 5 6.435 1.262 4.068 38 HB1 ALA 5 1HB ALA 5 6.632 -1.030 4.098 39 HB2 ALA 5 2HB ALA 5 5.499 -0.798 2.766 40 HB3 ALA 5 3HB ALA 5 7.202 -1.111 2.430 41 H ALA 6 H ALA 6 8.151 1.261 1.026 42 HA ALA 6 HA ALA 6 10.740 0.710 1.901 43 HB1 ALA 6 1HB ALA 6 9.514 1.603 -0.485 44 HB2 ALA 6 2HB ALA 6 10.856 2.694 -0.138 45 HB3 ALA 6 3HB ALA 6 11.141 0.958 -0.265 46 H ARG 7 H ARG 7 8.781 3.527 2.328 47 HA ARG 7 HA ARG 7 11.069 5.149 3.148 48 HB2 ARG 7 2HB ARG 7 8.614 5.739 1.921 49 HB3 ARG 7 3HB ARG 7 8.502 6.414 3.541 50 HG2 ARG 7 2HG ARG 7 10.815 7.436 3.031 51 HG3 ARG 7 3HG ARG 7 10.417 7.088 1.347 52 HD2 ARG 7 2HD ARG 7 8.197 8.343 2.692 53 HD3 ARG 7 3HD ARG 7 9.657 9.320 2.847 54 HE ARG 7 HE ARG 7 9.433 8.525 0.182 55 HH11 ARG 7 1HH1 ARG 7 7.752 10.525 2.484 56 HH12 ARG 7 2HH1 ARG 7 7.130 11.609 1.284 57 HH21 ARG 7 1HH2 ARG 7 8.619 9.945 -1.406 58 HH22 ARG 7 2HH2 ARG 7 7.623 11.277 -0.929 59 H GLY 8 H GLY 8 8.455 3.308 4.468 60 HA2 GLY 8 2HA GLY 8 8.339 4.540 7.026 61 HA3 GLY 8 3HA GLY 8 7.746 2.936 6.624 62 H ARG 9 H ARG 9 10.376 2.046 5.655 63 HA ARG 9 HA ARG 9 11.396 1.120 8.161 64 HB2 ARG 9 2HB ARG 9 11.376 -0.238 6.064 65 HB3 ARG 9 3HB ARG 9 12.617 0.825 5.413 66 HG2 ARG 9 2HG ARG 9 14.213 0.095 6.984 67 HG3 ARG 9 3HG ARG 9 12.984 -0.698 7.973 68 HD2 ARG 9 2HD ARG 9 12.938 -1.708 5.274 69 HD3 ARG 9 3HD ARG 9 14.555 -1.847 5.965 70 HE ARG 9 HE ARG 9 12.572 -2.767 7.781 71 HH11 ARG 9 1HH1 ARG 9 14.335 -3.653 4.913 72 HH12 ARG 9 2HH1 ARG 9 14.209 -5.356 5.203 73 HH21 ARG 9 1HH2 ARG 9 12.399 -5.007 8.175 74 HH22 ARG 9 2HH2 ARG 9 13.107 -6.126 7.059 75 H ALA 10 H ALA 10 12.233 3.649 5.922 76 HA ALA 10 HA ALA 10 14.887 4.122 6.642 77 HB1 ALA 10 1HB ALA 10 14.718 5.811 5.199 78 HB2 ALA 10 2HB ALA 10 13.047 5.302 4.952 79 HB3 ALA 10 3HB ALA 10 13.419 6.570 6.121 80 H ARG 11 H ARG 11 11.910 4.896 8.278 81 HA ARG 11 HA ARG 11 12.671 6.941 9.965 82 HB2 ARG 11 2HB ARG 11 10.384 5.886 9.761 83 HB3 ARG 11 3HB ARG 11 10.964 4.599 10.809 84 HG2 ARG 11 2HG ARG 11 11.389 6.230 12.579 85 HG3 ARG 11 3HG ARG 11 10.802 7.519 11.526 86 HD2 ARG 11 2HD ARG 11 8.808 5.555 11.506 87 HD3 ARG 11 3HD ARG 11 9.323 5.690 13.187 88 HE ARG 11 HE ARG 11 8.389 7.783 13.273 89 HH11 ARG 11 1HH1 ARG 11 8.624 6.758 9.955 90 HH12 ARG 11 2HH1 ARG 11 7.685 8.080 9.344 91 HH21 ARG 11 1HH2 ARG 11 7.151 9.528 12.481 92 HH22 ARG 11 2HH2 ARG 11 6.848 9.655 10.781 93 H LEU 12 H LEU 12 12.542 3.553 11.060 94 HA LEU 12 HA LEU 12 14.116 3.907 13.322 95 HB2 LEU 12 2HB LEU 12 13.921 1.399 11.664 96 HB3 LEU 12 3HB LEU 12 14.363 1.506 13.366 97 HG LEU 12 HG LEU 12 11.666 2.411 12.421 98 HD11 LEU 12 1HD1 LEU 12 10.777 0.307 12.429 99 HD12 LEU 12 2HD1 LEU 12 12.040 -0.345 13.472 100 HD13 LEU 12 3HD1 LEU 12 12.374 -0.039 11.767 101 HD21 LEU 12 3HD2 LEU 12 11.992 1.068 14.995 102 HD22 LEU 12 1HD2 LEU 12 11.185 2.586 14.598 103 HD23 LEU 12 2HD2 LEU 12 12.932 2.553 14.841 104 H ARG 13 H ARG 13 15.036 3.292 9.997 105 HA ARG 13 HA ARG 13 17.697 2.538 10.368 106 HB2 ARG 13 2HB ARG 13 16.181 2.739 8.208 107 HB3 ARG 13 3HB ARG 13 16.973 4.304 8.073 108 HG2 ARG 13 2HG ARG 13 18.386 1.650 8.249 109 HG3 ARG 13 3HG ARG 13 18.100 2.565 6.767 110 HD2 ARG 13 2HD ARG 13 19.744 3.440 9.139 111 HD3 ARG 13 3HD ARG 13 20.355 2.952 7.558 112 HE ARG 13 HE ARG 13 18.691 5.023 6.996 113 HH11 ARG 13 1HH1 ARG 13 21.392 4.600 9.152 114 HH12 ARG 13 2HH1 ARG 13 21.887 6.258 9.067 115 HH21 ARG 13 1HH2 ARG 13 19.334 7.208 6.875 116 HH22 ARG 13 2HH2 ARG 13 20.715 7.741 7.772 117 H ALA 14 H ALA 14 16.432 5.796 9.641 118 HA ALA 14 HA ALA 14 18.844 7.169 9.909 119 HB1 ALA 14 1HB ALA 14 15.994 8.054 10.278 120 HB2 ALA 14 2HB ALA 14 17.360 9.166 10.386 121 HB3 ALA 14 3HB ALA 14 17.046 8.298 8.883 122 H VAL 15 H VAL 15 16.343 6.475 12.330 123 HA VAL 15 HA VAL 15 17.493 7.895 14.459 124 HB VAL 15 HB VAL 15 15.776 5.412 14.578 125 HG11 VAL 15 1HG1 VAL 15 15.175 6.634 16.837 126 HG12 VAL 15 2HG1 VAL 15 16.550 5.534 16.728 127 HG13 VAL 15 3HG1 VAL 15 16.806 7.277 16.654 128 HG21 VAL 15 3HG2 VAL 15 15.195 8.097 13.786 129 HG22 VAL 15 1HG2 VAL 15 14.116 6.705 13.869 130 HG23 VAL 15 2HG2 VAL 15 14.340 7.732 15.285 131 H GLY 16 H GLY 16 17.951 4.567 13.350 132 HA2 GLY 16 2HA GLY 16 19.433 3.547 15.458 133 HA3 GLY 16 3HA GLY 16 19.624 3.055 13.781 134 H ALA 17 H ALA 17 20.556 5.476 12.707 135 HA ALA 17 HA ALA 17 23.288 5.272 13.063 136 HB1 ALA 17 1HB ALA 17 23.397 7.550 12.019 137 HB2 ALA 17 2HB ALA 17 22.438 6.366 11.129 138 HB3 ALA 17 3HB ALA 17 21.636 7.599 12.103 139 H ILE 18 H ILE 18 21.270 7.955 14.284 140 HA ILE 18 HA ILE 18 23.345 8.587 16.238 141 HB ILE 18 HB ILE 18 20.783 10.068 15.633 142 HG12 ILE 18 2HG1 ILE 18 23.023 11.565 14.830 143 HG13 ILE 18 3HG1 ILE 18 23.306 9.934 14.230 144 HG21 ILE 18 1HG2 ILE 18 21.499 10.601 17.835 145 HG22 ILE 18 2HG2 ILE 18 23.179 10.750 17.321 146 HG23 ILE 18 3HG2 ILE 18 21.988 11.941 16.798 147 HD11 ILE 18 3HD1 ILE 18 20.635 10.510 13.639 148 HD12 ILE 18 1HD1 ILE 18 21.550 11.962 13.233 149 HD13 ILE 18 2HD1 ILE 18 21.994 10.411 12.519 Start of MODEL 2 1 H1 ASP 1 H ASP 1 1.646 -1.560 1.284 2 HA ASP 1 HA ASP 1 1.646 -1.466 -1.159 3 HB2 ASP 1 2HB ASP 1 1.312 1.360 -0.466 4 HB3 ASP 1 3HB ASP 1 2.482 1.092 -1.755 5 HA PRO 2 HA PRO 2 6.006 -1.932 -1.139 6 HB2 PRO 2 2HB PRO 2 6.662 -1.457 -3.730 7 HB3 PRO 2 3HB PRO 2 5.817 -2.918 -3.206 8 HG2 PRO 2 2HG PRO 2 4.705 -0.426 -4.438 9 HG3 PRO 2 3HG PRO 2 4.305 -2.119 -4.782 10 HD2 PRO 2 2HD PRO 2 2.756 -0.546 -3.215 11 HD3 PRO 2 3HD PRO 2 2.915 -2.294 -2.951 12 H ARG 3 H ARG 3 4.760 1.047 -2.537 13 HA ARG 3 HA ARG 3 7.330 2.382 -2.252 14 HB2 ARG 3 2HB ARG 3 4.663 3.435 -3.213 15 HB3 ARG 3 3HB ARG 3 6.183 4.318 -3.255 16 HG2 ARG 3 2HG ARG 3 6.835 2.033 -4.586 17 HG3 ARG 3 3HG ARG 3 5.149 2.262 -5.055 18 HD2 ARG 3 2HD ARG 3 6.940 4.629 -5.121 19 HD3 ARG 3 3HD ARG 3 7.159 3.402 -6.368 20 HE ARG 3 HE ARG 3 4.448 3.956 -6.264 21 HH11 ARG 3 1HH1 ARG 3 7.399 5.663 -6.971 22 HH12 ARG 3 2HH1 ARG 3 6.649 6.765 -8.078 23 HH21 ARG 3 1HH2 ARG 3 3.450 5.401 -7.719 24 HH22 ARG 3 2HH2 ARG 3 4.403 6.616 -8.502 25 H ILE 4 H ILE 4 4.818 1.639 -0.251 26 HA ILE 4 HA ILE 4 4.971 4.131 1.284 27 HB ILE 4 HB ILE 4 3.121 1.760 1.559 28 HG12 ILE 4 2HG1 ILE 4 2.682 3.234 -0.376 29 HG13 ILE 4 3HG1 ILE 4 1.392 3.315 0.819 30 HG21 ILE 4 1HG2 ILE 4 3.080 2.423 3.718 31 HG22 ILE 4 2HG2 ILE 4 3.687 4.037 3.348 32 HG23 ILE 4 3HG2 ILE 4 1.985 3.653 3.086 33 HD11 ILE 4 3HD1 ILE 4 1.637 5.502 0.990 34 HD12 ILE 4 1HD1 ILE 4 3.348 5.323 1.379 35 HD13 ILE 4 2HD1 ILE 4 2.832 5.433 -0.304 36 H ALA 5 H ALA 5 5.952 0.810 1.333 37 HA ALA 5 HA ALA 5 6.603 0.796 4.150 38 HB1 ALA 5 1HB ALA 5 6.824 -1.169 1.917 39 HB2 ALA 5 2HB ALA 5 7.764 -1.418 3.389 40 HB3 ALA 5 3HB ALA 5 6.005 -1.318 3.472 41 H ALA 6 H ALA 6 8.231 1.350 1.109 42 HA ALA 6 HA ALA 6 10.889 1.034 1.889 43 HB1 ALA 6 1HB ALA 6 9.503 2.030 -0.366 44 HB2 ALA 6 2HB ALA 6 10.710 3.234 0.089 45 HB3 ALA 6 3HB ALA 6 11.202 1.572 -0.239 46 H ARG 7 H ARG 7 8.609 3.517 2.657 47 HA ARG 7 HA ARG 7 10.699 5.312 3.632 48 HB2 ARG 7 2HB ARG 7 8.136 5.709 2.528 49 HB3 ARG 7 3HB ARG 7 8.026 6.214 4.209 50 HG2 ARG 7 2HG ARG 7 10.137 7.575 3.757 51 HG3 ARG 7 3HG ARG 7 9.806 7.284 2.049 52 HD2 ARG 7 2HD ARG 7 7.384 8.111 3.254 53 HD3 ARG 7 3HD ARG 7 8.646 9.215 3.799 54 HE ARG 7 HE ARG 7 7.511 9.084 1.200 55 HH11 ARG 7 1HH1 ARG 7 10.495 9.683 2.890 56 HH12 ARG 7 2HH1 ARG 7 11.144 10.704 1.649 57 HH21 ARG 7 1HH2 ARG 7 8.354 10.426 -0.440 58 HH22 ARG 7 2HH2 ARG 7 9.925 11.126 -0.244 59 H GLY 8 H GLY 8 8.368 3.019 4.761 60 HA2 GLY 8 2HA GLY 8 8.164 3.931 7.445 61 HA3 GLY 8 3HA GLY 8 7.766 2.319 6.867 62 H ARG 9 H ARG 9 10.462 1.888 5.774 63 HA ARG 9 HA ARG 9 11.696 1.007 8.246 64 HB2 ARG 9 2HB ARG 9 11.526 -0.478 6.249 65 HB3 ARG 9 3HB ARG 9 12.626 0.599 5.400 66 HG2 ARG 9 2HG ARG 9 14.070 0.090 7.619 67 HG3 ARG 9 3HG ARG 9 13.170 -1.420 7.464 68 HD2 ARG 9 2HD ARG 9 14.038 -0.772 4.879 69 HD3 ARG 9 3HD ARG 9 15.413 -0.463 5.940 70 HE ARG 9 HE ARG 9 14.328 -3.009 5.231 71 HH11 ARG 9 1HH1 ARG 9 15.984 -1.254 7.740 72 HH12 ARG 9 2HH1 ARG 9 16.725 -2.665 8.419 73 HH21 ARG 9 1HH2 ARG 9 15.296 -4.875 6.116 74 HH22 ARG 9 2HH2 ARG 9 16.333 -4.724 7.494 75 H ALA 10 H ALA 10 12.310 3.294 5.650 76 HA ALA 10 HA ALA 10 14.960 3.951 6.201 77 HB1 ALA 10 1HB ALA 10 12.947 5.992 5.315 78 HB2 ALA 10 2HB ALA 10 14.649 5.851 4.875 79 HB3 ALA 10 3HB ALA 10 13.478 4.691 4.249 80 H ARG 11 H ARG 11 11.972 5.092 7.683 81 HA ARG 11 HA ARG 11 12.888 7.254 9.130 82 HB2 ARG 11 2HB ARG 11 10.513 6.407 8.968 83 HB3 ARG 11 3HB ARG 11 10.931 5.216 10.192 84 HG2 ARG 11 2HG ARG 11 11.469 7.012 11.759 85 HG3 ARG 11 3HG ARG 11 11.044 8.206 10.530 86 HD2 ARG 11 2HD ARG 11 9.126 6.099 11.495 87 HD3 ARG 11 3HD ARG 11 9.267 7.682 12.258 88 HE ARG 11 HE ARG 11 8.888 8.067 9.518 89 HH11 ARG 11 1HH1 ARG 11 7.156 6.844 12.279 90 HH12 ARG 11 2HH1 ARG 11 5.597 7.272 11.655 91 HH21 ARG 11 1HH2 ARG 11 6.842 8.635 8.685 92 HH22 ARG 11 2HH2 ARG 11 5.420 8.289 9.610 93 H LEU 12 H LEU 12 12.388 4.063 10.634 94 HA LEU 12 HA LEU 12 13.895 4.531 12.908 95 HB2 LEU 12 2HB LEU 12 13.511 1.905 11.479 96 HB3 LEU 12 3HB LEU 12 14.015 2.102 13.157 97 HG LEU 12 HG LEU 12 11.324 2.831 12.000 98 HD11 LEU 12 1HD1 LEU 12 10.581 0.834 12.656 99 HD12 LEU 12 2HD1 LEU 12 11.451 0.917 14.187 100 HD13 LEU 12 3HD1 LEU 12 12.277 0.358 12.733 101 HD21 LEU 12 3HD2 LEU 12 12.675 3.556 14.500 102 HD22 LEU 12 1HD2 LEU 12 11.058 2.882 14.705 103 HD23 LEU 12 2HD2 LEU 12 11.297 4.305 13.691 104 H ARG 13 H ARG 13 14.928 3.664 9.700 105 HA ARG 13 HA ARG 13 17.480 2.671 10.233 106 HB2 ARG 13 2HB ARG 13 16.105 2.953 7.989 107 HB3 ARG 13 3HB ARG 13 17.050 4.430 7.859 108 HG2 ARG 13 2HG ARG 13 18.189 1.660 8.176 109 HG3 ARG 13 3HG ARG 13 18.070 2.554 6.659 110 HD2 ARG 13 2HD ARG 13 19.344 4.373 8.180 111 HD3 ARG 13 3HD ARG 13 19.933 2.887 8.923 112 HE ARG 13 HE ARG 13 20.698 3.942 6.401 113 HH11 ARG 13 1HH1 ARG 13 20.111 0.954 8.089 114 HH12 ARG 13 2HH1 ARG 13 21.189 0.031 7.097 115 HH21 ARG 13 1HH2 ARG 13 22.121 2.737 5.088 116 HH22 ARG 13 2HH2 ARG 13 22.333 1.045 5.391 117 H ALA 14 H ALA 14 16.536 6.016 9.429 118 HA ALA 14 HA ALA 14 19.099 7.122 9.849 119 HB1 ALA 14 1HB ALA 14 16.347 8.318 9.744 120 HB2 ALA 14 2HB ALA 14 17.783 9.298 10.039 121 HB3 ALA 14 3HB ALA 14 17.629 8.391 8.534 122 H VAL 15 H VAL 15 16.312 6.679 11.968 123 HA VAL 15 HA VAL 15 17.311 8.180 14.150 124 HB VAL 15 HB VAL 15 15.340 5.890 14.181 125 HG11 VAL 15 1HG1 VAL 15 16.166 7.905 16.238 126 HG12 VAL 15 2HG1 VAL 15 14.557 7.181 16.269 127 HG13 VAL 15 3HG1 VAL 15 15.988 6.158 16.400 128 HG21 VAL 15 3HG2 VAL 15 14.208 7.376 12.890 129 HG22 VAL 15 1HG2 VAL 15 13.819 8.064 14.467 130 HG23 VAL 15 2HG2 VAL 15 15.115 8.762 13.495 131 H GLY 16 H GLY 16 17.900 4.951 13.018 132 HA2 GLY 16 2HA GLY 16 18.992 3.978 15.496 133 HA3 GLY 16 3HA GLY 16 19.078 3.181 13.932 134 H ALA 17 H ALA 17 20.205 5.805 12.841 135 HA ALA 17 HA ALA 17 22.958 5.082 13.171 136 HB1 ALA 17 1HB ALA 17 22.430 5.830 11.027 137 HB2 ALA 17 2HB ALA 17 21.535 7.225 11.631 138 HB3 ALA 17 3HB ALA 17 23.295 7.189 11.746 139 H ILE 18 H ILE 18 20.815 7.432 14.567 140 HA ILE 18 HA ILE 18 22.760 9.239 15.544 141 HB ILE 18 HB ILE 18 20.051 8.668 16.747 142 HG12 ILE 18 2HG1 ILE 18 19.877 9.157 14.338 143 HG13 ILE 18 3HG1 ILE 18 19.203 10.459 15.312 144 HG21 ILE 18 1HG2 ILE 18 20.353 11.217 17.236 145 HG22 ILE 18 2HG2 ILE 18 21.104 10.015 18.283 146 HG23 ILE 18 3HG2 ILE 18 22.067 10.843 17.060 147 HD11 ILE 18 3HD1 ILE 18 21.902 11.099 14.895 148 HD12 ILE 18 1HD1 ILE 18 21.266 10.555 13.344 149 HD13 ILE 18 2HD1 ILE 18 20.479 11.878 14.205 Start of MODEL 3 1 H1 ASP 1 H ASP 1 1.611 -1.284 0.684 2 HA ASP 1 HA ASP 1 1.904 -1.228 -1.694 3 HB2 ASP 1 2HB ASP 1 1.783 1.683 -1.104 4 HB3 ASP 1 3HB ASP 1 2.770 1.184 -2.475 5 HA PRO 2 HA PRO 2 6.242 -1.779 -1.359 6 HB2 PRO 2 2HB PRO 2 7.083 -1.403 -3.912 7 HB3 PRO 2 3HB PRO 2 6.173 -2.829 -3.401 8 HG2 PRO 2 2HG PRO 2 5.202 -0.358 -4.785 9 HG3 PRO 2 3HG PRO 2 4.789 -2.054 -5.102 10 HD2 PRO 2 2HD PRO 2 3.171 -0.399 -3.696 11 HD3 PRO 2 3HD PRO 2 3.274 -2.140 -3.367 12 H ARG 3 H ARG 3 5.138 1.184 -2.889 13 HA ARG 3 HA ARG 3 7.717 2.477 -2.510 14 HB2 ARG 3 2HB ARG 3 5.119 3.559 -3.616 15 HB3 ARG 3 3HB ARG 3 6.656 4.413 -3.604 16 HG2 ARG 3 2HG ARG 3 7.313 2.076 -4.854 17 HG3 ARG 3 3HG ARG 3 5.664 2.355 -5.417 18 HD2 ARG 3 2HD ARG 3 7.931 4.341 -5.555 19 HD3 ARG 3 3HD ARG 3 7.332 3.374 -6.902 20 HE ARG 3 HE ARG 3 5.289 4.954 -5.661 21 HH11 ARG 3 1HH1 ARG 3 7.876 4.979 -7.991 22 HH12 ARG 3 2HH1 ARG 3 7.210 6.289 -8.909 23 HH21 ARG 3 1HH2 ARG 3 4.403 6.679 -6.862 24 HH22 ARG 3 2HH2 ARG 3 5.236 7.255 -8.266 25 H ILE 4 H ILE 4 5.100 1.822 -0.615 26 HA ILE 4 HA ILE 4 5.229 4.343 0.876 27 HB ILE 4 HB ILE 4 3.324 2.013 1.110 28 HG12 ILE 4 2HG1 ILE 4 3.004 3.454 -0.872 29 HG13 ILE 4 3HG1 ILE 4 1.662 3.582 0.259 30 HG21 ILE 4 1HG2 ILE 4 3.768 4.400 2.828 31 HG22 ILE 4 2HG2 ILE 4 2.115 3.842 2.572 32 HG23 ILE 4 3HG2 ILE 4 3.314 2.755 3.273 33 HD11 ILE 4 3HD1 ILE 4 2.220 5.756 -0.591 34 HD12 ILE 4 1HD1 ILE 4 2.636 5.674 1.121 35 HD13 ILE 4 2HD1 ILE 4 3.902 5.555 -0.101 36 H ALA 5 H ALA 5 6.144 1.006 1.037 37 HA ALA 5 HA ALA 5 6.662 1.040 3.881 38 HB1 ALA 5 1HB ALA 5 7.167 -1.214 3.699 39 HB2 ALA 5 2HB ALA 5 5.969 -0.983 2.426 40 HB3 ALA 5 3HB ALA 5 7.683 -1.067 2.018 41 H ALA 6 H ALA 6 8.442 1.497 0.910 42 HA ALA 6 HA ALA 6 11.053 1.149 1.819 43 HB1 ALA 6 1HB ALA 6 9.793 2.123 -0.518 44 HB2 ALA 6 2HB ALA 6 11.000 3.314 -0.030 45 HB3 ALA 6 3HB ALA 6 11.475 1.637 -0.302 46 H ARG 7 H ARG 7 8.789 3.690 2.429 47 HA ARG 7 HA ARG 7 10.865 5.465 3.466 48 HB2 ARG 7 2HB ARG 7 8.383 5.897 2.220 49 HB3 ARG 7 3HB ARG 7 8.174 6.414 3.888 50 HG2 ARG 7 2HG ARG 7 10.384 7.702 3.516 51 HG3 ARG 7 3HG ARG 7 10.029 7.475 1.802 52 HD2 ARG 7 2HD ARG 7 7.630 8.332 2.934 53 HD3 ARG 7 3HD ARG 7 8.873 9.323 3.696 54 HE ARG 7 HE ARG 7 9.241 10.362 1.683 55 HH11 ARG 7 1HH1 ARG 7 7.312 7.507 1.182 56 HH12 ARG 7 2HH1 ARG 7 6.957 7.878 -0.472 57 HH21 ARG 7 1HH2 ARG 7 8.781 10.862 -0.495 58 HH22 ARG 7 2HH2 ARG 7 7.794 9.786 -1.426 59 H GLY 8 H GLY 8 8.438 3.241 4.529 60 HA2 GLY 8 2HA GLY 8 8.127 4.213 7.181 61 HA3 GLY 8 3HA GLY 8 7.722 2.598 6.617 62 H ARG 9 H ARG 9 10.462 2.099 5.661 63 HA ARG 9 HA ARG 9 11.529 1.125 8.149 64 HB2 ARG 9 2HB ARG 9 11.622 -0.219 6.083 65 HB3 ARG 9 3HB ARG 9 12.677 0.985 5.356 66 HG2 ARG 9 2HG ARG 9 14.485 0.160 6.358 67 HG3 ARG 9 3HG ARG 9 13.665 0.021 7.915 68 HD2 ARG 9 2HD ARG 9 12.490 -2.015 6.897 69 HD3 ARG 9 3HD ARG 9 13.724 -1.937 5.640 70 HE ARG 9 HE ARG 9 15.231 -2.802 7.125 71 HH11 ARG 9 1HH1 ARG 9 12.478 -1.595 8.881 72 HH12 ARG 9 2HH1 ARG 9 13.006 -2.230 10.404 73 HH21 ARG 9 1HH2 ARG 9 15.937 -3.644 9.123 74 HH22 ARG 9 2HH2 ARG 9 14.974 -3.395 10.541 75 H ALA 10 H ALA 10 12.240 3.707 5.897 76 HA ALA 10 HA ALA 10 14.825 4.379 6.638 77 HB1 ALA 10 1HB ALA 10 13.015 6.654 6.165 78 HB2 ALA 10 2HB ALA 10 14.530 6.220 5.372 79 HB3 ALA 10 3HB ALA 10 13.031 5.413 4.911 80 H ARG 11 H ARG 11 11.802 4.963 8.294 81 HA ARG 11 HA ARG 11 12.481 6.983 10.045 82 HB2 ARG 11 2HB ARG 11 10.235 5.854 9.797 83 HB3 ARG 11 3HB ARG 11 10.855 4.558 10.810 84 HG2 ARG 11 2HG ARG 11 11.214 6.151 12.629 85 HG3 ARG 11 3HG ARG 11 10.586 7.449 11.611 86 HD2 ARG 11 2HD ARG 11 8.504 5.908 11.391 87 HD3 ARG 11 3HD ARG 11 9.143 5.136 12.842 88 HE ARG 11 HE ARG 11 9.089 7.881 13.302 89 HH11 ARG 11 1HH1 ARG 11 6.849 5.280 12.727 90 HH12 ARG 11 2HH1 ARG 11 5.567 6.009 13.636 91 HH21 ARG 11 1HH2 ARG 11 7.409 8.852 14.501 92 HH22 ARG 11 2HH2 ARG 11 5.886 8.041 14.644 93 H LEU 12 H LEU 12 12.468 3.562 11.039 94 HA LEU 12 HA LEU 12 14.059 3.938 13.305 95 HB2 LEU 12 2HB LEU 12 13.823 1.427 11.655 96 HB3 LEU 12 3HB LEU 12 14.317 1.535 13.344 97 HG LEU 12 HG LEU 12 11.573 2.277 12.336 98 HD11 LEU 12 1HD1 LEU 12 10.884 0.132 13.404 99 HD12 LEU 12 2HD1 LEU 12 12.590 -0.294 13.530 100 HD13 LEU 12 3HD1 LEU 12 11.854 -0.061 11.944 101 HD21 LEU 12 3HD2 LEU 12 12.294 1.577 15.150 102 HD22 LEU 12 1HD2 LEU 12 10.958 2.555 14.542 103 HD23 LEU 12 2HD2 LEU 12 12.597 3.206 14.542 104 H ARG 13 H ARG 13 14.916 3.316 9.964 105 HA ARG 13 HA ARG 13 17.583 2.566 10.287 106 HB2 ARG 13 2HB ARG 13 16.027 2.759 8.155 107 HB3 ARG 13 3HB ARG 13 16.814 4.324 8.001 108 HG2 ARG 13 2HG ARG 13 18.232 1.672 8.157 109 HG3 ARG 13 3HG ARG 13 17.918 2.583 6.678 110 HD2 ARG 13 2HD ARG 13 19.122 4.490 8.123 111 HD3 ARG 13 3HD ARG 13 19.884 3.068 8.834 112 HE ARG 13 HE ARG 13 20.374 4.160 6.246 113 HH11 ARG 13 1HH1 ARG 13 20.286 1.193 8.066 114 HH12 ARG 13 2HH1 ARG 13 21.419 0.377 7.040 115 HH21 ARG 13 1HH2 ARG 13 21.866 3.096 4.887 116 HH22 ARG 13 2HH2 ARG 13 22.317 1.461 5.232 117 H ALA 14 H ALA 14 16.139 5.789 9.990 118 HA ALA 14 HA ALA 14 18.679 7.125 10.210 119 HB1 ALA 14 1HB ALA 14 15.850 7.957 9.895 120 HB2 ALA 14 2HB ALA 14 16.975 9.125 10.590 121 HB3 ALA 14 3HB ALA 14 17.285 8.446 8.992 122 H VAL 15 H VAL 15 15.872 6.617 12.321 123 HA VAL 15 HA VAL 15 16.733 8.124 14.507 124 HB VAL 15 HB VAL 15 15.073 5.599 14.541 125 HG11 VAL 15 1HG1 VAL 15 15.620 5.876 16.759 126 HG12 VAL 15 2HG1 VAL 15 15.740 7.631 16.622 127 HG13 VAL 15 3HG1 VAL 15 14.157 6.854 16.643 128 HG21 VAL 15 3HG2 VAL 15 13.387 6.785 13.708 129 HG22 VAL 15 1HG2 VAL 15 13.615 8.044 14.922 130 HG23 VAL 15 2HG2 VAL 15 14.520 8.103 13.409 131 H GLY 16 H GLY 16 17.760 5.019 13.358 132 HA2 GLY 16 2HA GLY 16 19.018 4.253 15.850 133 HA3 GLY 16 3HA GLY 16 19.110 3.389 14.323 134 H ALA 17 H ALA 17 20.136 5.283 12.635 135 HA ALA 17 HA ALA 17 22.865 5.116 13.043 136 HB1 ALA 17 1HB ALA 17 23.097 6.785 11.278 137 HB2 ALA 17 2HB ALA 17 21.857 5.598 10.872 138 HB3 ALA 17 3HB ALA 17 21.391 7.202 11.439 139 H ILE 18 H ILE 18 21.018 8.163 13.252 140 HA ILE 18 HA ILE 18 23.089 9.260 14.990 141 HB ILE 18 HB ILE 18 20.660 10.640 13.843 142 HG12 ILE 18 2HG1 ILE 18 23.015 11.594 12.636 143 HG13 ILE 18 3HG1 ILE 18 23.151 9.839 12.620 144 HG21 ILE 18 1HG2 ILE 18 21.229 12.115 15.450 145 HG22 ILE 18 2HG2 ILE 18 22.863 11.473 15.608 146 HG23 ILE 18 3HG2 ILE 18 22.475 12.582 14.293 147 HD11 ILE 18 3HD1 ILE 18 20.528 10.454 11.817 148 HD12 ILE 18 1HD1 ILE 18 21.605 11.541 10.940 149 HD13 ILE 18 2HD1 ILE 18 21.842 9.796 10.843 Start of MODEL 4 1 H1 ASP 1 H ASP 1 0.363 0.319 0.166 2 HA ASP 1 HA ASP 1 1.493 -1.258 -1.742 3 HB2 ASP 1 2HB ASP 1 1.321 1.674 -1.340 4 HB3 ASP 1 3HB ASP 1 2.482 1.118 -2.542 5 HA PRO 2 HA PRO 2 5.768 -1.833 -0.956 6 HB2 PRO 2 2HB PRO 2 6.857 -1.618 -3.433 7 HB3 PRO 2 3HB PRO 2 5.879 -3.002 -2.931 8 HG2 PRO 2 2HG PRO 2 5.086 -0.608 -4.544 9 HG3 PRO 2 3HG PRO 2 4.679 -2.314 -4.800 10 HD2 PRO 2 2HD PRO 2 2.960 -0.562 -3.657 11 HD3 PRO 2 3HD PRO 2 3.003 -2.282 -3.219 12 H ARG 3 H ARG 3 4.736 1.100 -2.492 13 HA ARG 3 HA ARG 3 7.330 2.379 -2.176 14 HB2 ARG 3 2HB ARG 3 4.702 3.485 -3.182 15 HB3 ARG 3 3HB ARG 3 6.241 4.335 -3.206 16 HG2 ARG 3 2HG ARG 3 6.812 1.979 -4.505 17 HG3 ARG 3 3HG ARG 3 5.172 2.353 -5.041 18 HD2 ARG 3 2HD ARG 3 6.624 3.404 -6.582 19 HD3 ARG 3 3HD ARG 3 6.002 4.684 -5.541 20 HE ARG 3 HE ARG 3 8.326 3.966 -4.345 21 HH11 ARG 3 1HH1 ARG 3 7.475 4.917 -7.584 22 HH12 ARG 3 2HH1 ARG 3 9.016 5.635 -7.918 23 HH21 ARG 3 1HH2 ARG 3 10.360 4.907 -4.773 24 HH22 ARG 3 2HH2 ARG 3 10.657 5.627 -6.319 25 H ILE 4 H ILE 4 4.774 1.702 -0.208 26 HA ILE 4 HA ILE 4 4.959 4.199 1.316 27 HB ILE 4 HB ILE 4 3.054 1.872 1.575 28 HG12 ILE 4 2HG1 ILE 4 2.677 3.345 -0.373 29 HG13 ILE 4 3HG1 ILE 4 1.371 3.458 0.801 30 HG21 ILE 4 1HG2 ILE 4 1.865 3.404 3.187 31 HG22 ILE 4 2HG2 ILE 4 3.376 2.706 3.767 32 HG23 ILE 4 3HG2 ILE 4 3.334 4.380 3.213 33 HD11 ILE 4 3HD1 ILE 4 3.604 5.431 0.397 34 HD12 ILE 4 1HD1 ILE 4 1.906 5.645 -0.027 35 HD13 ILE 4 2HD1 ILE 4 2.386 5.533 1.667 36 H ALA 5 H ALA 5 5.866 0.858 1.396 37 HA ALA 5 HA ALA 5 6.475 0.846 4.223 38 HB1 ALA 5 1HB ALA 5 6.281 -1.115 2.101 39 HB2 ALA 5 2HB ALA 5 7.719 -1.358 3.094 40 HB3 ALA 5 3HB ALA 5 6.124 -1.319 3.846 41 H ALA 6 H ALA 6 8.160 1.347 1.203 42 HA ALA 6 HA ALA 6 10.798 0.977 2.023 43 HB1 ALA 6 1HB ALA 6 9.467 1.991 -0.257 44 HB2 ALA 6 2HB ALA 6 10.694 3.170 0.210 45 HB3 ALA 6 3HB ALA 6 11.153 1.496 -0.103 46 H ARG 7 H ARG 7 8.563 3.513 2.745 47 HA ARG 7 HA ARG 7 10.677 5.266 3.742 48 HB2 ARG 7 2HB ARG 7 8.164 5.728 2.579 49 HB3 ARG 7 3HB ARG 7 7.998 6.209 4.262 50 HG2 ARG 7 2HG ARG 7 10.117 7.565 3.930 51 HG3 ARG 7 3HG ARG 7 9.902 7.273 2.203 52 HD2 ARG 7 2HD ARG 7 7.418 8.129 3.309 53 HD3 ARG 7 3HD ARG 7 8.681 9.248 3.820 54 HE ARG 7 HE ARG 7 9.052 8.842 1.113 55 HH11 ARG 7 1HH1 ARG 7 6.555 10.094 3.192 56 HH12 ARG 7 2HH1 ARG 7 5.933 11.190 2.003 57 HH21 ARG 7 1HH2 ARG 7 8.242 10.281 -0.461 58 HH22 ARG 7 2HH2 ARG 7 6.893 11.295 -0.075 59 H GLY 8 H GLY 8 8.279 3.032 4.848 60 HA2 GLY 8 2HA GLY 8 8.057 3.963 7.524 61 HA3 GLY 8 3HA GLY 8 7.629 2.358 6.948 62 H ARG 9 H ARG 9 10.337 1.870 5.896 63 HA ARG 9 HA ARG 9 11.492 0.899 8.357 64 HB2 ARG 9 2HB ARG 9 11.420 -0.450 6.251 65 HB3 ARG 9 3HB ARG 9 12.573 0.674 5.545 66 HG2 ARG 9 2HG ARG 9 13.719 -0.109 7.960 67 HG3 ARG 9 3HG ARG 9 13.030 -1.581 7.272 68 HD2 ARG 9 2HD ARG 9 14.855 0.324 5.811 69 HD3 ARG 9 3HD ARG 9 15.368 -1.181 6.572 70 HE ARG 9 HE ARG 9 13.998 -0.885 4.064 71 HH11 ARG 9 1HH1 ARG 9 14.650 -3.023 6.734 72 HH12 ARG 9 2HH1 ARG 9 14.357 -4.465 5.820 73 HH21 ARG 9 1HH2 ARG 9 13.609 -2.777 2.851 74 HH22 ARG 9 2HH2 ARG 9 13.765 -4.324 3.611 75 H ALA 10 H ALA 10 12.205 3.348 5.940 76 HA ALA 10 HA ALA 10 14.820 3.985 6.613 77 HB1 ALA 10 1HB ALA 10 12.569 5.439 5.352 78 HB2 ALA 10 2HB ALA 10 13.928 6.403 5.931 79 HB3 ALA 10 3HB ALA 10 14.196 5.121 4.750 80 H ARG 11 H ARG 11 11.819 4.824 8.215 81 HA ARG 11 HA ARG 11 12.603 6.923 9.824 82 HB2 ARG 11 2HB ARG 11 10.299 5.903 9.640 83 HB3 ARG 11 3HB ARG 11 10.844 4.650 10.746 84 HG2 ARG 11 2HG ARG 11 11.284 6.344 12.452 85 HG3 ARG 11 3HG ARG 11 10.730 7.599 11.341 86 HD2 ARG 11 2HD ARG 11 8.922 5.303 11.892 87 HD3 ARG 11 3HD ARG 11 9.122 6.526 13.146 88 HE ARG 11 HE ARG 11 7.659 6.792 10.715 89 HH11 ARG 11 1HH1 ARG 11 9.577 8.545 13.032 90 HH12 ARG 11 2HH1 ARG 11 8.828 10.071 12.692 91 HH21 ARG 11 1HH2 ARG 11 6.666 8.794 10.259 92 HH22 ARG 11 2HH2 ARG 11 7.172 10.211 11.115 93 H LEU 12 H LEU 12 12.399 3.585 11.055 94 HA LEU 12 HA LEU 12 13.977 4.016 13.310 95 HB2 LEU 12 2HB LEU 12 13.706 1.426 11.796 96 HB3 LEU 12 3HB LEU 12 14.134 1.620 13.494 97 HG LEU 12 HG LEU 12 11.465 2.459 12.384 98 HD11 LEU 12 1HD1 LEU 12 11.909 -0.103 13.861 99 HD12 LEU 12 2HD1 LEU 12 12.093 -0.034 12.109 100 HD13 LEU 12 3HD1 LEU 12 10.549 0.386 12.850 101 HD21 LEU 12 3HD2 LEU 12 12.569 1.997 15.145 102 HD22 LEU 12 1HD2 LEU 12 10.843 2.123 14.806 103 HD23 LEU 12 2HD2 LEU 12 11.910 3.487 14.469 104 H ARG 13 H ARG 13 14.870 3.275 10.016 105 HA ARG 13 HA ARG 13 17.492 2.402 10.396 106 HB2 ARG 13 2HB ARG 13 15.985 2.645 8.234 107 HB3 ARG 13 3HB ARG 13 16.850 4.168 8.077 108 HG2 ARG 13 2HG ARG 13 18.136 1.453 8.289 109 HG3 ARG 13 3HG ARG 13 17.893 2.360 6.795 110 HD2 ARG 13 2HD ARG 13 19.163 4.228 8.216 111 HD3 ARG 13 3HD ARG 13 19.829 2.793 8.995 112 HE ARG 13 HE ARG 13 20.415 3.757 6.363 113 HH11 ARG 13 1HH1 ARG 13 20.251 0.919 8.372 114 HH12 ARG 13 2HH1 ARG 13 21.401 0.027 7.432 115 HH21 ARG 13 1HH2 ARG 13 21.930 2.593 5.116 116 HH22 ARG 13 2HH2 ARG 13 22.356 0.980 5.580 117 H ALA 14 H ALA 14 16.351 5.706 9.688 118 HA ALA 14 HA ALA 14 18.895 6.907 10.039 119 HB1 ALA 14 1HB ALA 14 17.764 9.003 9.866 120 HB2 ALA 14 2HB ALA 14 17.002 7.883 8.735 121 HB3 ALA 14 3HB ALA 14 16.214 8.262 10.266 122 H VAL 15 H VAL 15 16.128 6.414 12.178 123 HA VAL 15 HA VAL 15 17.029 7.982 14.332 124 HB VAL 15 HB VAL 15 15.298 5.508 14.448 125 HG11 VAL 15 1HG1 VAL 15 16.091 6.067 16.638 126 HG12 VAL 15 2HG1 VAL 15 15.711 7.773 16.394 127 HG13 VAL 15 3HG1 VAL 15 14.411 6.587 16.513 128 HG21 VAL 15 3HG2 VAL 15 13.668 6.681 13.496 129 HG22 VAL 15 1HG2 VAL 15 13.857 7.965 14.690 130 HG23 VAL 15 2HG2 VAL 15 14.811 7.992 13.207 131 H GLY 16 H GLY 16 17.846 4.759 13.283 132 HA2 GLY 16 2HA GLY 16 18.999 3.847 15.711 133 HA3 GLY 16 3HA GLY 16 19.304 3.187 14.111 134 H ALA 17 H ALA 17 20.258 5.702 13.008 135 HA ALA 17 HA ALA 17 22.995 5.488 13.872 136 HB1 ALA 17 1HB ALA 17 23.517 6.947 12.048 137 HB2 ALA 17 2HB ALA 17 22.322 5.775 11.491 138 HB3 ALA 17 3HB ALA 17 21.827 7.422 11.879 139 H ILE 18 H ILE 18 20.986 8.394 13.386 140 HA ILE 18 HA ILE 18 22.535 9.831 15.358 141 HB ILE 18 HB ILE 18 20.113 10.712 13.782 142 HG12 ILE 18 2HG1 ILE 18 22.524 12.040 13.030 143 HG13 ILE 18 3HG1 ILE 18 22.825 10.305 13.003 144 HG21 ILE 18 1HG2 ILE 18 20.137 12.206 15.522 145 HG22 ILE 18 2HG2 ILE 18 21.881 12.082 15.749 146 HG23 ILE 18 3HG2 ILE 18 21.232 13.007 14.394 147 HD11 ILE 18 3HD1 ILE 18 22.074 10.611 10.883 148 HD12 ILE 18 1HD1 ILE 18 20.542 10.284 11.691 149 HD13 ILE 18 2HD1 ILE 18 21.011 11.946 11.330 Start of MODEL 5 1 H1 ASP 1 H ASP 1 1.845 -0.877 0.906 2 HA ASP 1 HA ASP 1 1.803 -1.341 -1.697 3 HB2 ASP 1 2HB ASP 1 1.392 1.518 -1.317 4 HB3 ASP 1 3HB ASP 1 2.768 1.177 -2.362 5 HA PRO 2 HA PRO 2 6.118 -1.847 -1.097 6 HB2 PRO 2 2HB PRO 2 7.094 -1.616 -3.620 7 HB3 PRO 2 3HB PRO 2 6.161 -3.015 -3.075 8 HG2 PRO 2 2HG PRO 2 5.261 -0.635 -4.652 9 HG3 PRO 2 3HG PRO 2 4.870 -2.349 -4.891 10 HD2 PRO 2 2HD PRO 2 3.175 -0.624 -3.674 11 HD3 PRO 2 3HD PRO 2 3.264 -2.342 -3.238 12 H ARG 3 H ARG 3 4.993 1.059 -2.642 13 HA ARG 3 HA ARG 3 7.574 2.379 -2.392 14 HB2 ARG 3 2HB ARG 3 4.912 3.433 -3.366 15 HB3 ARG 3 3HB ARG 3 6.439 4.304 -3.431 16 HG2 ARG 3 2HG ARG 3 7.219 2.187 -4.775 17 HG3 ARG 3 3HG ARG 3 5.488 2.014 -5.070 18 HD2 ARG 3 2HD ARG 3 7.057 4.532 -5.599 19 HD3 ARG 3 3HD ARG 3 6.708 3.308 -6.820 20 HE ARG 3 HE ARG 3 4.306 4.119 -5.603 21 HH11 ARG 3 1HH1 ARG 3 6.770 5.309 -7.756 22 HH12 ARG 3 2HH1 ARG 3 5.702 6.387 -8.592 23 HH21 ARG 3 1HH2 ARG 3 2.891 5.534 -6.695 24 HH22 ARG 3 2HH2 ARG 3 3.496 6.515 -7.987 25 H ILE 4 H ILE 4 5.063 1.697 -0.368 26 HA ILE 4 HA ILE 4 5.239 4.219 1.115 27 HB ILE 4 HB ILE 4 3.372 1.868 1.443 28 HG12 ILE 4 2HG1 ILE 4 2.932 3.298 -0.519 29 HG13 ILE 4 3HG1 ILE 4 1.652 3.428 0.683 30 HG21 ILE 4 1HG2 ILE 4 3.766 4.341 3.085 31 HG22 ILE 4 2HG2 ILE 4 2.194 3.547 3.005 32 HG23 ILE 4 3HG2 ILE 4 3.596 2.668 3.614 33 HD11 ILE 4 3HD1 ILE 4 3.581 5.428 1.236 34 HD12 ILE 4 1HD1 ILE 4 3.199 5.486 -0.484 35 HD13 ILE 4 2HD1 ILE 4 1.908 5.619 0.711 36 H ALA 5 H ALA 5 6.195 0.892 1.229 37 HA ALA 5 HA ALA 5 6.854 0.931 4.044 38 HB1 ALA 5 1HB ALA 5 6.176 -1.175 3.301 39 HB2 ALA 5 2HB ALA 5 7.180 -1.091 1.854 40 HB3 ALA 5 3HB ALA 5 7.929 -1.314 3.435 41 H ALA 6 H ALA 6 8.478 1.409 0.988 42 HA ALA 6 HA ALA 6 11.135 1.089 1.766 43 HB1 ALA 6 1HB ALA 6 9.750 2.050 -0.505 44 HB2 ALA 6 2HB ALA 6 10.967 3.253 -0.078 45 HB3 ALA 6 3HB ALA 6 11.445 1.582 -0.374 46 H ARG 7 H ARG 7 8.877 3.605 2.489 47 HA ARG 7 HA ARG 7 10.983 5.402 3.422 48 HB2 ARG 7 2HB ARG 7 8.339 5.755 2.398 49 HB3 ARG 7 3HB ARG 7 8.400 6.423 4.024 50 HG2 ARG 7 2HG ARG 7 10.517 7.632 3.248 51 HG3 ARG 7 3HG ARG 7 9.999 7.206 1.616 52 HD2 ARG 7 2HD ARG 7 7.847 8.333 3.208 53 HD3 ARG 7 3HD ARG 7 9.219 9.430 3.063 54 HE ARG 7 HE ARG 7 8.397 8.260 0.568 55 HH11 ARG 7 1HH1 ARG 7 7.887 10.866 2.819 56 HH12 ARG 7 2HH1 ARG 7 7.221 11.936 1.630 57 HH21 ARG 7 1HH2 ARG 7 7.522 9.660 -1.006 58 HH22 ARG 7 2HH2 ARG 7 7.013 11.249 -0.545 59 H GLY 8 H GLY 8 8.637 3.152 4.604 60 HA2 GLY 8 2HA GLY 8 8.448 4.120 7.269 61 HA3 GLY 8 3HA GLY 8 8.034 2.501 6.725 62 H ARG 9 H ARG 9 10.731 2.037 5.632 63 HA ARG 9 HA ARG 9 11.930 1.071 8.062 64 HB2 ARG 9 2HB ARG 9 11.917 -0.228 5.933 65 HB3 ARG 9 3HB ARG 9 13.008 0.965 5.241 66 HG2 ARG 9 2HG ARG 9 14.794 0.079 6.242 67 HG3 ARG 9 3HG ARG 9 13.946 -0.129 7.775 68 HD2 ARG 9 2HD ARG 9 12.982 -2.181 7.056 69 HD3 ARG 9 3HD ARG 9 13.514 -1.920 5.395 70 HE ARG 9 HE ARG 9 15.800 -1.957 6.945 71 HH11 ARG 9 1HH1 ARG 9 13.189 -4.134 6.193 72 HH12 ARG 9 2HH1 ARG 9 14.153 -5.562 6.380 73 HH21 ARG 9 1HH2 ARG 9 17.078 -3.830 7.195 74 HH22 ARG 9 2HH2 ARG 9 16.365 -5.388 6.951 75 H ALA 10 H ALA 10 12.591 3.596 5.702 76 HA ALA 10 HA ALA 10 15.174 4.302 6.432 77 HB1 ALA 10 1HB ALA 10 13.857 5.189 4.489 78 HB2 ALA 10 2HB ALA 10 13.037 6.264 5.623 79 HB3 ALA 10 3HB ALA 10 14.779 6.399 5.382 80 H ARG 11 H ARG 11 12.090 5.219 7.888 81 HA ARG 11 HA ARG 11 12.897 7.230 9.595 82 HB2 ARG 11 2HB ARG 11 10.549 6.374 9.229 83 HB3 ARG 11 3HB ARG 11 10.930 5.066 10.341 84 HG2 ARG 11 2HG ARG 11 11.361 6.696 12.111 85 HG3 ARG 11 3HG ARG 11 10.972 8.005 10.994 86 HD2 ARG 11 2HD ARG 11 8.779 6.410 10.754 87 HD3 ARG 11 3HD ARG 11 9.204 6.170 12.448 88 HE ARG 11 HE ARG 11 9.186 8.930 11.710 89 HH11 ARG 11 1HH1 ARG 11 7.169 6.249 12.638 90 HH12 ARG 11 2HH1 ARG 11 5.912 7.250 13.285 91 HH21 ARG 11 1HH2 ARG 11 7.538 10.259 12.558 92 HH22 ARG 11 2HH2 ARG 11 6.122 9.530 13.238 93 H LEU 12 H LEU 12 12.385 3.893 10.732 94 HA LEU 12 HA LEU 12 13.767 4.136 13.116 95 HB2 LEU 12 2HB LEU 12 13.469 1.692 11.376 96 HB3 LEU 12 3HB LEU 12 13.972 1.678 13.065 97 HG LEU 12 HG LEU 12 11.296 2.718 12.153 98 HD11 LEU 12 1HD1 LEU 12 10.369 0.574 12.856 99 HD12 LEU 12 2HD1 LEU 12 11.995 -0.038 13.156 100 HD13 LEU 12 3HD1 LEU 12 11.496 0.372 11.515 101 HD21 LEU 12 3HD2 LEU 12 10.788 2.978 14.342 102 HD22 LEU 12 1HD2 LEU 12 12.537 3.157 14.486 103 HD23 LEU 12 2HD2 LEU 12 11.776 1.608 14.849 104 H ARG 13 H ARG 13 14.979 3.372 9.902 105 HA ARG 13 HA ARG 13 17.554 2.535 10.573 106 HB2 ARG 13 2HB ARG 13 16.270 2.690 8.264 107 HB3 ARG 13 3HB ARG 13 17.139 4.214 8.140 108 HG2 ARG 13 2HG ARG 13 18.410 1.519 8.575 109 HG3 ARG 13 3HG ARG 13 18.313 2.372 7.033 110 HD2 ARG 13 2HD ARG 13 19.406 4.281 8.621 111 HD3 ARG 13 3HD ARG 13 20.079 2.819 9.339 112 HE ARG 13 HE ARG 13 20.760 3.966 6.808 113 HH11 ARG 13 1HH1 ARG 13 20.558 0.987 8.599 114 HH12 ARG 13 2HH1 ARG 13 21.765 0.183 7.651 115 HH21 ARG 13 1HH2 ARG 13 22.350 2.918 5.552 116 HH22 ARG 13 2HH2 ARG 13 22.784 1.283 5.919 117 H ALA 14 H ALA 14 16.299 5.795 9.972 118 HA ALA 14 HA ALA 14 18.840 7.057 10.394 119 HB1 ALA 14 1HB ALA 14 17.629 9.144 10.202 120 HB2 ALA 14 2HB ALA 14 17.111 8.031 8.936 121 HB3 ALA 14 3HB ALA 14 16.090 8.295 10.350 122 H VAL 15 H VAL 15 15.838 6.778 12.281 123 HA VAL 15 HA VAL 15 16.638 8.272 14.500 124 HB VAL 15 HB VAL 15 14.777 5.892 14.443 125 HG11 VAL 15 1HG1 VAL 15 13.806 7.299 16.437 126 HG12 VAL 15 2HG1 VAL 15 15.136 6.168 16.692 127 HG13 VAL 15 3HG1 VAL 15 15.463 7.895 16.539 128 HG21 VAL 15 3HG2 VAL 15 14.532 8.609 13.464 129 HG22 VAL 15 1HG2 VAL 15 13.474 7.220 13.216 130 HG23 VAL 15 2HG2 VAL 15 13.291 8.222 14.656 131 H GLY 16 H GLY 16 17.370 4.986 13.571 132 HA2 GLY 16 2HA GLY 16 18.423 4.256 16.160 133 HA3 GLY 16 3HA GLY 16 18.503 3.297 14.690 134 H ALA 17 H ALA 17 19.669 5.626 13.217 135 HA ALA 17 HA ALA 17 22.402 4.976 13.641 136 HB1 ALA 17 1HB ALA 17 22.173 5.558 11.474 137 HB2 ALA 17 2HB ALA 17 20.875 6.705 11.806 138 HB3 ALA 17 3HB ALA 17 22.554 7.167 12.089 139 H ILE 18 H ILE 18 20.638 8.052 14.055 140 HA ILE 18 HA ILE 18 22.752 8.914 15.911 141 HB ILE 18 HB ILE 18 20.734 10.623 14.452 142 HG12 ILE 18 2HG1 ILE 18 23.339 11.267 13.640 143 HG13 ILE 18 3HG1 ILE 18 23.279 9.507 13.638 144 HG21 ILE 18 1HG2 ILE 18 21.429 11.578 16.582 145 HG22 ILE 18 2HG2 ILE 18 23.121 11.384 16.129 146 HG23 ILE 18 3HG2 ILE 18 22.092 12.503 15.235 147 HD11 ILE 18 3HD1 ILE 18 22.699 10.449 11.466 148 HD12 ILE 18 1HD1 ILE 18 21.351 9.557 12.170 149 HD13 ILE 18 2HD1 ILE 18 21.355 11.321 12.203 Start of MODEL 6 1 H1 ASP 1 H ASP 1 0.444 0.912 0.234 2 HA ASP 1 HA ASP 1 1.346 -0.921 -1.602 3 HB2 ASP 1 2HB ASP 1 1.315 2.008 -1.404 4 HB3 ASP 1 3HB ASP 1 2.575 1.378 -2.462 5 HA PRO 2 HA PRO 2 5.563 -1.832 -0.816 6 HB2 PRO 2 2HB PRO 2 6.631 -1.876 -3.311 7 HB3 PRO 2 3HB PRO 2 5.540 -3.130 -2.712 8 HG2 PRO 2 2HG PRO 2 4.943 -0.782 -4.470 9 HG3 PRO 2 3HG PRO 2 4.380 -2.457 -4.612 10 HD2 PRO 2 2HD PRO 2 2.843 -0.486 -3.570 11 HD3 PRO 2 3HD PRO 2 2.736 -2.171 -3.021 12 H ARG 3 H ARG 3 4.814 1.054 -2.618 13 HA ARG 3 HA ARG 3 7.508 2.115 -2.331 14 HB2 ARG 3 2HB ARG 3 5.020 3.359 -3.519 15 HB3 ARG 3 3HB ARG 3 6.633 4.059 -3.567 16 HG2 ARG 3 2HG ARG 3 6.992 1.537 -4.627 17 HG3 ARG 3 3HG ARG 3 5.427 2.045 -5.266 18 HD2 ARG 3 2HD ARG 3 8.055 3.502 -5.491 19 HD3 ARG 3 3HD ARG 3 7.145 2.738 -6.793 20 HE ARG 3 HE ARG 3 5.553 4.697 -5.538 21 HH11 ARG 3 1HH1 ARG 3 8.309 4.380 -7.641 22 HH12 ARG 3 2HH1 ARG 3 8.044 5.898 -8.432 23 HH21 ARG 3 1HH2 ARG 3 5.194 6.698 -6.572 24 HH22 ARG 3 2HH2 ARG 3 6.273 7.217 -7.822 25 H ILE 4 H ILE 4 4.850 1.858 -0.397 26 HA ILE 4 HA ILE 4 5.231 4.458 0.903 27 HB ILE 4 HB ILE 4 3.110 2.347 1.305 28 HG12 ILE 4 2HG1 ILE 4 2.913 3.656 -0.777 29 HG13 ILE 4 3HG1 ILE 4 1.603 4.012 0.343 30 HG21 ILE 4 1HG2 ILE 4 3.831 4.756 2.871 31 HG22 ILE 4 2HG2 ILE 4 2.116 4.445 2.606 32 HG23 ILE 4 3HG2 ILE 4 3.120 3.231 3.398 33 HD11 ILE 4 3HD1 ILE 4 2.102 6.161 0.285 34 HD12 ILE 4 1HD1 ILE 4 3.753 5.827 0.807 35 HD13 ILE 4 2HD1 ILE 4 3.350 5.813 -0.910 36 H ALA 5 H ALA 5 5.818 1.069 1.312 37 HA ALA 5 HA ALA 5 6.352 1.262 4.147 38 HB1 ALA 5 1HB ALA 5 7.058 -1.046 2.354 39 HB2 ALA 5 2HB ALA 5 6.761 -1.059 4.093 40 HB3 ALA 5 3HB ALA 5 5.427 -0.785 2.973 41 H ALA 6 H ALA 6 8.150 1.331 1.153 42 HA ALA 6 HA ALA 6 10.721 0.797 2.090 43 HB1 ALA 6 1HB ALA 6 10.867 2.816 0.088 44 HB2 ALA 6 2HB ALA 6 11.179 1.086 -0.060 45 HB3 ALA 6 3HB ALA 6 9.550 1.714 -0.314 46 H ARG 7 H ARG 7 8.717 3.582 2.508 47 HA ARG 7 HA ARG 7 10.962 5.218 3.416 48 HB2 ARG 7 2HB ARG 7 8.542 5.803 2.125 49 HB3 ARG 7 3HB ARG 7 8.362 6.438 3.755 50 HG2 ARG 7 2HG ARG 7 10.664 7.517 3.360 51 HG3 ARG 7 3HG ARG 7 10.356 7.185 1.655 52 HD2 ARG 7 2HD ARG 7 8.144 8.458 3.125 53 HD3 ARG 7 3HD ARG 7 9.592 9.445 2.928 54 HE ARG 7 HE ARG 7 9.084 8.416 0.439 55 HH11 ARG 7 1HH1 ARG 7 7.328 10.339 2.750 56 HH12 ARG 7 2HH1 ARG 7 6.408 11.180 1.546 57 HH21 ARG 7 1HH2 ARG 7 7.880 9.517 -1.154 58 HH22 ARG 7 2HH2 ARG 7 6.722 10.711 -0.674 59 H GLY 8 H GLY 8 8.335 3.325 4.635 60 HA2 GLY 8 2HA GLY 8 8.135 4.513 7.208 61 HA3 GLY 8 3HA GLY 8 7.572 2.909 6.764 62 H ARG 9 H ARG 9 10.238 2.066 5.853 63 HA ARG 9 HA ARG 9 11.221 1.183 8.408 64 HB2 ARG 9 2HB ARG 9 11.161 -0.299 6.422 65 HB3 ARG 9 3HB ARG 9 12.361 0.726 5.645 66 HG2 ARG 9 2HG ARG 9 13.258 -0.106 8.253 67 HG3 ARG 9 3HG ARG 9 12.826 -1.495 7.254 68 HD2 ARG 9 2HD ARG 9 14.271 -0.645 5.465 69 HD3 ARG 9 3HD ARG 9 14.709 0.730 6.478 70 HE ARG 9 HE ARG 9 16.128 -0.631 7.666 71 HH11 ARG 9 1HH1 ARG 9 14.054 -2.577 5.658 72 HH12 ARG 9 2HH1 ARG 9 14.929 -4.043 5.951 73 HH21 ARG 9 1HH2 ARG 9 17.288 -2.555 8.059 74 HH22 ARG 9 2HH2 ARG 9 16.768 -4.030 7.317 75 H ALA 10 H ALA 10 12.065 3.610 6.073 76 HA ALA 10 HA ALA 10 14.744 4.053 6.705 77 HB1 ALA 10 1HB ALA 10 13.525 6.559 6.177 78 HB2 ALA 10 2HB ALA 10 14.482 5.551 5.091 79 HB3 ALA 10 3HB ALA 10 12.733 5.344 5.174 80 H ARG 11 H ARG 11 11.837 4.905 8.419 81 HA ARG 11 HA ARG 11 12.676 6.981 10.030 82 HB2 ARG 11 2HB ARG 11 10.374 5.946 9.930 83 HB3 ARG 11 3HB ARG 11 10.977 4.678 10.988 84 HG2 ARG 11 2HG ARG 11 11.479 6.346 12.702 85 HG3 ARG 11 3HG ARG 11 10.868 7.616 11.640 86 HD2 ARG 11 2HD ARG 11 9.166 5.264 12.387 87 HD3 ARG 11 3HD ARG 11 9.305 6.661 13.453 88 HE ARG 11 HE ARG 11 8.674 7.718 11.016 89 HH11 ARG 11 1HH1 ARG 11 7.245 5.337 13.115 90 HH12 ARG 11 2HH1 ARG 11 5.623 5.668 12.603 91 HH21 ARG 11 1HH2 ARG 11 6.544 8.164 10.333 92 HH22 ARG 11 2HH2 ARG 11 5.226 7.276 11.020 93 H LEU 12 H LEU 12 12.552 3.621 11.209 94 HA LEU 12 HA LEU 12 14.229 4.029 13.397 95 HB2 LEU 12 2HB LEU 12 13.800 1.486 11.836 96 HB3 LEU 12 3HB LEU 12 14.465 1.595 13.464 97 HG LEU 12 HG LEU 12 11.643 2.242 12.618 98 HD11 LEU 12 1HD1 LEU 12 12.223 -0.159 12.770 99 HD12 LEU 12 2HD1 LEU 12 11.025 0.345 13.961 100 HD13 LEU 12 3HD1 LEU 12 12.701 0.095 14.449 101 HD21 LEU 12 3HD2 LEU 12 11.404 2.370 15.199 102 HD22 LEU 12 1HD2 LEU 12 12.009 3.770 14.314 103 HD23 LEU 12 2HD2 LEU 12 13.134 2.714 15.167 104 H ARG 13 H ARG 13 14.970 3.406 10.053 105 HA ARG 13 HA ARG 13 17.599 2.499 10.271 106 HB2 ARG 13 2HB ARG 13 15.997 2.851 8.194 107 HB3 ARG 13 3HB ARG 13 16.867 4.374 8.067 108 HG2 ARG 13 2HG ARG 13 18.138 1.644 8.095 109 HG3 ARG 13 3HG ARG 13 17.834 2.620 6.657 110 HD2 ARG 13 2HD ARG 13 19.184 4.413 8.106 111 HD3 ARG 13 3HD ARG 13 19.874 2.937 8.780 112 HE ARG 13 HE ARG 13 20.372 4.040 6.196 113 HH11 ARG 13 1HH1 ARG 13 20.168 1.061 7.985 114 HH12 ARG 13 2HH1 ARG 13 21.236 0.200 6.927 115 HH21 ARG 13 1HH2 ARG 13 21.781 2.918 4.796 116 HH22 ARG 13 2HH2 ARG 13 22.154 1.257 5.114 117 H ALA 14 H ALA 14 16.440 5.838 9.801 118 HA ALA 14 HA ALA 14 19.002 7.019 10.057 119 HB1 ALA 14 1HB ALA 14 17.543 8.404 8.957 120 HB2 ALA 14 2HB ALA 14 16.202 8.034 10.041 121 HB3 ALA 14 3HB ALA 14 17.497 9.105 10.575 122 H VAL 15 H VAL 15 16.261 6.815 12.327 123 HA VAL 15 HA VAL 15 17.443 8.097 14.490 124 HB VAL 15 HB VAL 15 15.471 5.808 14.566 125 HG11 VAL 15 1HG1 VAL 15 16.781 7.314 16.659 126 HG12 VAL 15 2HG1 VAL 15 15.027 7.494 16.729 127 HG13 VAL 15 3HG1 VAL 15 15.752 5.887 16.773 128 HG21 VAL 15 3HG2 VAL 15 14.010 8.004 15.067 129 HG22 VAL 15 1HG2 VAL 15 15.228 8.695 13.995 130 HG23 VAL 15 2HG2 VAL 15 14.237 7.342 13.449 131 H GLY 16 H GLY 16 17.929 4.880 13.254 132 HA2 GLY 16 2HA GLY 16 19.033 3.662 15.535 133 HA3 GLY 16 3HA GLY 16 19.354 3.191 13.873 134 H ALA 17 H ALA 17 20.708 5.194 12.784 135 HA ALA 17 HA ALA 17 23.272 4.988 14.015 136 HB1 ALA 17 1HB ALA 17 23.765 5.214 11.854 137 HB2 ALA 17 2HB ALA 17 22.192 5.923 11.488 138 HB3 ALA 17 3HB ALA 17 23.503 6.944 12.080 139 H ILE 18 H ILE 18 20.897 7.585 13.658 140 HA ILE 18 HA ILE 18 22.567 9.516 14.997 141 HB ILE 18 HB ILE 18 19.638 9.676 14.275 142 HG12 ILE 18 2HG1 ILE 18 21.972 10.953 12.851 143 HG13 ILE 18 3HG1 ILE 18 21.316 9.389 12.382 144 HG21 ILE 18 1HG2 ILE 18 21.587 11.798 15.159 145 HG22 ILE 18 2HG2 ILE 18 19.973 12.116 14.527 146 HG23 ILE 18 3HG2 ILE 18 20.169 11.229 16.039 147 HD11 ILE 18 3HD1 ILE 18 19.786 10.398 11.155 148 HD12 ILE 18 1HD1 ILE 18 19.164 11.223 12.584 149 HD13 ILE 18 2HD1 ILE 18 20.445 11.965 11.624 Start of MODEL 7 1 H1 ASP 1 H ASP 1 0.229 -0.390 0.861 2 HA ASP 1 HA ASP 1 1.297 -1.083 -1.134 3 HB2 ASP 1 2HB ASP 1 1.229 1.817 -0.621 4 HB3 ASP 1 3HB ASP 1 2.298 1.328 -1.933 5 HA PRO 2 HA PRO 2 5.611 -1.857 -1.017 6 HB2 PRO 2 2HB PRO 2 6.328 -1.595 -3.622 7 HB3 PRO 2 3HB PRO 2 5.374 -2.956 -3.021 8 HG2 PRO 2 2HG PRO 2 4.459 -0.475 -4.423 9 HG3 PRO 2 3HG PRO 2 3.941 -2.154 -4.667 10 HD2 PRO 2 2HD PRO 2 2.492 -0.377 -3.226 11 HD3 PRO 2 3HD PRO 2 2.522 -2.112 -2.851 12 H ARG 3 H ARG 3 4.606 1.104 -2.637 13 HA ARG 3 HA ARG 3 7.260 2.269 -2.379 14 HB2 ARG 3 2HB ARG 3 4.696 3.441 -3.474 15 HB3 ARG 3 3HB ARG 3 6.277 4.208 -3.539 16 HG2 ARG 3 2HG ARG 3 6.619 1.668 -4.665 17 HG3 ARG 3 3HG ARG 3 5.107 2.296 -5.323 18 HD2 ARG 3 2HD ARG 3 6.997 2.923 -6.727 19 HD3 ARG 3 3HD ARG 3 6.251 4.346 -6.001 20 HE ARG 3 HE ARG 3 8.274 3.670 -4.291 21 HH11 ARG 3 1HH1 ARG 3 8.045 4.429 -7.681 22 HH12 ARG 3 2HH1 ARG 3 9.637 5.106 -7.770 23 HH21 ARG 3 1HH2 ARG 3 10.372 4.559 -4.395 24 HH22 ARG 3 2HH2 ARG 3 10.960 5.179 -5.901 25 H ILE 4 H ILE 4 4.662 1.847 -0.395 26 HA ILE 4 HA ILE 4 4.966 4.422 0.972 27 HB ILE 4 HB ILE 4 2.944 2.214 1.360 28 HG12 ILE 4 2HG1 ILE 4 2.641 3.569 -0.678 29 HG13 ILE 4 3HG1 ILE 4 1.347 3.844 0.483 30 HG21 ILE 4 1HG2 ILE 4 3.614 4.593 2.987 31 HG22 ILE 4 2HG2 ILE 4 1.903 4.248 2.738 32 HG23 ILE 4 3HG2 ILE 4 2.948 3.034 3.475 33 HD11 ILE 4 3HD1 ILE 4 2.510 5.905 1.208 34 HD12 ILE 4 1HD1 ILE 4 3.689 5.644 -0.077 35 HD13 ILE 4 2HD1 ILE 4 1.996 5.934 -0.479 36 H ALA 5 H ALA 5 5.701 1.051 1.269 37 HA ALA 5 HA ALA 5 6.294 1.186 4.095 38 HB1 ALA 5 1HB ALA 5 5.987 -0.890 2.111 39 HB2 ALA 5 2HB ALA 5 7.432 -1.144 3.091 40 HB3 ALA 5 3HB ALA 5 5.857 -0.982 3.868 41 H ALA 6 H ALA 6 8.018 1.411 1.065 42 HA ALA 6 HA ALA 6 10.629 0.960 1.928 43 HB1 ALA 6 1HB ALA 6 11.023 1.325 -0.222 44 HB2 ALA 6 2HB ALA 6 9.365 1.895 -0.422 45 HB3 ALA 6 3HB ALA 6 10.647 3.037 -0.019 46 H ARG 7 H ARG 7 8.522 3.647 2.471 47 HA ARG 7 HA ARG 7 10.718 5.350 3.374 48 HB2 ARG 7 2HB ARG 7 8.262 5.875 2.143 49 HB3 ARG 7 3HB ARG 7 8.067 6.436 3.798 50 HG2 ARG 7 2HG ARG 7 10.239 7.697 3.483 51 HG3 ARG 7 3HG ARG 7 10.088 7.324 1.765 52 HD2 ARG 7 2HD ARG 7 7.638 8.394 2.925 53 HD3 ARG 7 3HD ARG 7 9.004 9.502 3.054 54 HE ARG 7 HE ARG 7 8.668 8.356 0.436 55 HH11 ARG 7 1HH1 ARG 7 7.754 10.942 2.579 56 HH12 ARG 7 2HH1 ARG 7 7.322 12.026 1.298 57 HH21 ARG 7 1HH2 ARG 7 8.104 9.774 -1.259 58 HH22 ARG 7 2HH2 ARG 7 7.521 11.360 -0.885 59 H GLY 8 H GLY 8 8.203 3.315 4.597 60 HA2 GLY 8 2HA GLY 8 8.014 4.422 7.207 61 HA3 GLY 8 3HA GLY 8 7.508 2.808 6.730 62 H ARG 9 H ARG 9 10.193 2.117 5.733 63 HA ARG 9 HA ARG 9 11.273 1.212 8.245 64 HB2 ARG 9 2HB ARG 9 11.208 -0.224 6.217 65 HB3 ARG 9 3HB ARG 9 12.368 0.853 5.450 66 HG2 ARG 9 2HG ARG 9 13.786 0.318 7.599 67 HG3 ARG 9 3HG ARG 9 12.763 -1.120 7.636 68 HD2 ARG 9 2HD ARG 9 13.602 -0.790 4.968 69 HD3 ARG 9 3HD ARG 9 15.027 -0.547 5.977 70 HE ARG 9 HE ARG 9 13.610 -3.007 5.546 71 HH11 ARG 9 1HH1 ARG 9 15.683 -1.247 7.719 72 HH12 ARG 9 2HH1 ARG 9 16.325 -2.671 8.469 73 HH21 ARG 9 1HH2 ARG 9 14.447 -4.889 6.525 74 HH22 ARG 9 2HH2 ARG 9 15.622 -4.742 7.788 75 H ALA 10 H ALA 10 12.003 3.671 5.887 76 HA ALA 10 HA ALA 10 14.662 4.219 6.453 77 HB1 ALA 10 1HB ALA 10 12.633 5.402 4.948 78 HB2 ALA 10 2HB ALA 10 13.188 6.662 6.051 79 HB3 ALA 10 3HB ALA 10 14.338 5.854 4.985 80 H ARG 11 H ARG 11 11.769 5.047 8.246 81 HA ARG 11 HA ARG 11 12.683 7.051 9.905 82 HB2 ARG 11 2HB ARG 11 10.350 6.089 9.797 83 HB3 ARG 11 3HB ARG 11 10.923 4.775 10.815 84 HG2 ARG 11 2HG ARG 11 11.489 6.379 12.570 85 HG3 ARG 11 3HG ARG 11 10.908 7.695 11.548 86 HD2 ARG 11 2HD ARG 11 9.088 5.407 12.111 87 HD3 ARG 11 3HD ARG 11 9.366 6.598 13.381 88 HE ARG 11 HE ARG 11 8.759 8.012 11.078 89 HH11 ARG 11 1HH1 ARG 11 7.209 5.694 13.163 90 HH12 ARG 11 2HH1 ARG 11 5.611 6.289 12.853 91 HH21 ARG 11 1HH2 ARG 11 6.661 8.804 10.662 92 HH22 ARG 11 2HH2 ARG 11 5.301 8.057 11.429 93 H LEU 12 H LEU 12 12.467 3.665 10.993 94 HA LEU 12 HA LEU 12 14.115 3.917 13.200 95 HB2 LEU 12 2HB LEU 12 13.969 1.438 11.506 96 HB3 LEU 12 3HB LEU 12 14.255 1.550 13.242 97 HG LEU 12 HG LEU 12 11.661 2.051 11.788 98 HD11 LEU 12 1HD1 LEU 12 12.693 -0.321 12.468 99 HD12 LEU 12 2HD1 LEU 12 10.965 0.027 12.517 100 HD13 LEU 12 3HD1 LEU 12 11.922 0.105 13.996 101 HD21 LEU 12 3HD2 LEU 12 10.905 2.136 14.312 102 HD22 LEU 12 1HD2 LEU 12 11.458 3.585 13.471 103 HD23 LEU 12 2HD2 LEU 12 12.554 2.718 14.547 104 H ARG 13 H ARG 13 14.955 3.491 9.837 105 HA ARG 13 HA ARG 13 17.603 2.651 10.089 106 HB2 ARG 13 2HB ARG 13 16.046 3.048 7.986 107 HB3 ARG 13 3HB ARG 13 16.873 4.599 7.948 108 HG2 ARG 13 2HG ARG 13 18.224 1.909 7.894 109 HG3 ARG 13 3HG ARG 13 17.929 2.937 6.491 110 HD2 ARG 13 2HD ARG 13 19.182 4.686 8.117 111 HD3 ARG 13 3HD ARG 13 19.934 3.179 8.639 112 HE ARG 13 HE ARG 13 20.377 4.552 6.179 113 HH11 ARG 13 1HH1 ARG 13 20.286 1.400 7.655 114 HH12 ARG 13 2HH1 ARG 13 21.378 0.690 6.512 115 HH21 ARG 13 1HH2 ARG 13 21.816 3.628 4.669 116 HH22 ARG 13 2HH2 ARG 13 22.248 1.958 4.815 117 H ALA 14 H ALA 14 16.464 5.988 9.522 118 HA ALA 14 HA ALA 14 18.919 7.247 9.911 119 HB1 ALA 14 1HB ALA 14 16.696 8.859 10.842 120 HB2 ALA 14 2HB ALA 14 17.759 9.092 9.454 121 HB3 ALA 14 3HB ALA 14 16.341 8.053 9.314 122 H VAL 15 H VAL 15 16.261 6.811 12.249 123 HA VAL 15 HA VAL 15 17.463 7.995 14.451 124 HB VAL 15 HB VAL 15 15.614 5.606 14.477 125 HG11 VAL 15 1HG1 VAL 15 16.255 7.644 16.606 126 HG12 VAL 15 2HG1 VAL 15 14.997 6.412 16.722 127 HG13 VAL 15 3HG1 VAL 15 16.692 5.936 16.622 128 HG21 VAL 15 3HG2 VAL 15 14.335 7.142 13.367 129 HG22 VAL 15 1HG2 VAL 15 13.983 7.610 15.030 130 HG23 VAL 15 2HG2 VAL 15 15.165 8.520 14.090 131 H GLY 16 H GLY 16 17.931 4.804 13.082 132 HA2 GLY 16 2HA GLY 16 19.322 3.689 15.300 133 HA3 GLY 16 3HA GLY 16 19.336 3.074 13.654 134 H ALA 17 H ALA 17 20.362 5.432 12.413 135 HA ALA 17 HA ALA 17 23.143 4.982 12.804 136 HB1 ALA 17 1HB ALA 17 22.008 7.320 11.307 137 HB2 ALA 17 2HB ALA 17 23.496 6.423 11.000 138 HB3 ALA 17 3HB ALA 17 21.932 5.682 10.658 139 H ILE 18 H ILE 18 20.869 7.351 13.981 140 HA ILE 18 HA ILE 18 23.008 8.996 15.098 141 HB ILE 18 HB ILE 18 20.023 9.424 15.248 142 HG12 ILE 18 2HG1 ILE 18 22.056 10.674 13.387 143 HG13 ILE 18 3HG1 ILE 18 20.873 9.455 12.925 144 HG21 ILE 18 1HG2 ILE 18 21.472 11.833 15.452 145 HG22 ILE 18 2HG2 ILE 18 20.507 11.036 16.693 146 HG23 ILE 18 3HG2 ILE 18 22.229 10.683 16.554 147 HD11 ILE 18 3HD1 ILE 18 20.511 12.337 13.497 148 HD12 ILE 18 1HD1 ILE 18 19.784 11.325 12.249 149 HD13 ILE 18 2HD1 ILE 18 19.194 11.240 13.909 Start of MODEL 8 1 H1 ASP 1 H ASP 1 0.463 0.639 0.104 2 HA ASP 1 HA ASP 1 1.286 -1.247 -1.869 3 HB2 ASP 1 2HB ASP 1 1.157 1.703 -1.634 4 HB3 ASP 1 3HB ASP 1 2.344 1.068 -2.770 5 HA PRO 2 HA PRO 2 5.532 -1.865 -0.964 6 HB2 PRO 2 2HB PRO 2 6.673 -1.810 -3.427 7 HB3 PRO 2 3HB PRO 2 5.656 -3.144 -2.869 8 HG2 PRO 2 2HG PRO 2 4.946 -0.827 -4.628 9 HG3 PRO 2 3HG PRO 2 4.507 -2.537 -4.798 10 HD2 PRO 2 2HD PRO 2 2.804 -0.689 -3.789 11 HD3 PRO 2 3HD PRO 2 2.801 -2.383 -3.255 12 H ARG 3 H ARG 3 4.570 1.010 -2.627 13 HA ARG 3 HA ARG 3 7.191 2.250 -2.378 14 HB2 ARG 3 2HB ARG 3 4.578 3.367 -3.412 15 HB3 ARG 3 3HB ARG 3 6.133 4.184 -3.479 16 HG2 ARG 3 2HG ARG 3 6.472 1.641 -4.662 17 HG3 ARG 3 3HG ARG 3 4.997 2.346 -5.327 18 HD2 ARG 3 2HD ARG 3 6.992 2.931 -6.643 19 HD3 ARG 3 3HD ARG 3 6.200 4.349 -5.957 20 HE ARG 3 HE ARG 3 8.167 3.578 -4.163 21 HH11 ARG 3 1HH1 ARG 3 7.967 4.705 -7.451 22 HH12 ARG 3 2HH1 ARG 3 9.520 5.473 -7.420 23 HH21 ARG 3 1HH2 ARG 3 10.213 4.585 -4.110 24 HH22 ARG 3 2HH2 ARG 3 10.797 5.403 -5.519 25 H ILE 4 H ILE 4 4.634 1.704 -0.370 26 HA ILE 4 HA ILE 4 4.877 4.256 1.051 27 HB ILE 4 HB ILE 4 2.930 1.978 1.415 28 HG12 ILE 4 2HG1 ILE 4 2.515 4.814 0.445 29 HG13 ILE 4 3HG1 ILE 4 2.587 3.393 -0.592 30 HG21 ILE 4 1HG2 ILE 4 3.217 4.566 2.928 31 HG22 ILE 4 2HG2 ILE 4 1.782 3.543 2.990 32 HG23 ILE 4 3HG2 ILE 4 3.330 2.927 3.569 33 HD11 ILE 4 3HD1 ILE 4 0.495 4.088 1.445 34 HD12 ILE 4 1HD1 ILE 4 0.307 3.924 -0.300 35 HD13 ILE 4 2HD1 ILE 4 0.621 2.499 0.691 36 H ALA 5 H ALA 5 5.720 0.903 1.262 37 HA ALA 5 HA ALA 5 6.348 0.994 4.083 38 HB1 ALA 5 1HB ALA 5 7.520 -1.287 3.175 39 HB2 ALA 5 2HB ALA 5 5.844 -1.160 3.711 40 HB3 ALA 5 3HB ALA 5 6.231 -1.057 1.993 41 H ALA 6 H ALA 6 8.022 1.337 1.035 42 HA ALA 6 HA ALA 6 10.658 0.949 1.854 43 HB1 ALA 6 1HB ALA 6 10.584 3.069 -0.045 44 HB2 ALA 6 2HB ALA 6 11.010 1.375 -0.293 45 HB3 ALA 6 3HB ALA 6 9.333 1.896 -0.458 46 H ARG 7 H ARG 7 8.477 3.557 2.484 47 HA ARG 7 HA ARG 7 10.632 5.307 3.396 48 HB2 ARG 7 2HB ARG 7 8.019 5.723 2.325 49 HB3 ARG 7 3HB ARG 7 8.072 6.424 3.937 50 HG2 ARG 7 2HG ARG 7 10.331 7.444 3.065 51 HG3 ARG 7 3HG ARG 7 9.582 7.173 1.490 52 HD2 ARG 7 2HD ARG 7 7.702 8.359 3.320 53 HD3 ARG 7 3HD ARG 7 9.172 9.329 3.228 54 HE ARG 7 HE ARG 7 8.202 8.566 0.650 55 HH11 ARG 7 1HH1 ARG 7 7.803 10.844 3.252 56 HH12 ARG 7 2HH1 ARG 7 7.143 12.085 2.239 57 HH21 ARG 7 1HH2 ARG 7 7.335 10.192 -0.695 58 HH22 ARG 7 2HH2 ARG 7 6.876 11.712 -0.006 59 H GLY 8 H GLY 8 8.198 3.168 4.606 60 HA2 GLY 8 2HA GLY 8 8.010 4.212 7.243 61 HA3 GLY 8 3HA GLY 8 7.549 2.593 6.736 62 H ARG 9 H ARG 9 10.234 2.000 5.692 63 HA ARG 9 HA ARG 9 11.393 1.131 8.192 64 HB2 ARG 9 2HB ARG 9 11.267 -0.365 6.218 65 HB3 ARG 9 3HB ARG 9 12.371 0.705 5.364 66 HG2 ARG 9 2HG ARG 9 14.029 -0.535 6.152 67 HG3 ARG 9 3HG ARG 9 13.670 0.124 7.749 68 HD2 ARG 9 2HD ARG 9 12.356 -1.723 8.339 69 HD3 ARG 9 3HD ARG 9 12.193 -2.251 6.665 70 HE ARG 9 HE ARG 9 14.367 -2.822 8.465 71 HH11 ARG 9 1HH1 ARG 9 13.368 -2.599 5.137 72 HH12 ARG 9 2HH1 ARG 9 14.600 -3.671 4.560 73 HH21 ARG 9 1HH2 ARG 9 15.994 -4.234 7.717 74 HH22 ARG 9 2HH2 ARG 9 16.093 -4.602 6.028 75 H ALA 10 H ALA 10 11.960 3.582 5.803 76 HA ALA 10 HA ALA 10 14.659 4.146 6.274 77 HB1 ALA 10 1HB ALA 10 12.704 5.168 4.648 78 HB2 ALA 10 2HB ALA 10 13.026 6.506 5.752 79 HB3 ALA 10 3HB ALA 10 14.341 5.804 4.810 80 H ARG 11 H ARG 11 11.763 5.076 8.023 81 HA ARG 11 HA ARG 11 12.694 7.156 9.578 82 HB2 ARG 11 2HB ARG 11 10.350 6.213 9.513 83 HB3 ARG 11 3HB ARG 11 10.907 4.948 10.600 84 HG2 ARG 11 2HG ARG 11 11.485 6.637 12.270 85 HG3 ARG 11 3HG ARG 11 10.920 7.903 11.179 86 HD2 ARG 11 2HD ARG 11 9.076 5.665 11.858 87 HD3 ARG 11 3HD ARG 11 9.362 6.920 13.063 88 HE ARG 11 HE ARG 11 7.801 7.150 10.688 89 HH11 ARG 11 1HH1 ARG 11 9.848 8.920 12.878 90 HH12 ARG 11 2HH1 ARG 11 9.118 10.452 12.529 91 HH21 ARG 11 1HH2 ARG 11 6.831 9.161 10.220 92 HH22 ARG 11 2HH2 ARG 11 7.402 10.588 11.018 93 H LEU 12 H LEU 12 12.439 3.834 10.841 94 HA LEU 12 HA LEU 12 14.104 4.200 13.029 95 HB2 LEU 12 2HB LEU 12 13.748 1.648 11.466 96 HB3 LEU 12 3HB LEU 12 14.270 1.790 13.143 97 HG LEU 12 HG LEU 12 11.574 2.788 12.298 98 HD11 LEU 12 1HD1 LEU 12 12.170 0.282 11.680 99 HD12 LEU 12 2HD1 LEU 12 10.599 0.734 12.342 100 HD13 LEU 12 3HD1 LEU 12 11.834 0.044 13.395 101 HD21 LEU 12 3HD2 LEU 12 12.984 2.117 14.824 102 HD22 LEU 12 1HD2 LEU 12 11.246 1.829 14.745 103 HD23 LEU 12 2HD2 LEU 12 11.886 3.448 14.457 104 H ARG 13 H ARG 13 14.896 3.541 9.695 105 HA ARG 13 HA ARG 13 17.516 2.630 9.968 106 HB2 ARG 13 2HB ARG 13 15.952 2.963 7.861 107 HB3 ARG 13 3HB ARG 13 16.827 4.483 7.731 108 HG2 ARG 13 2HG ARG 13 18.091 1.751 7.811 109 HG3 ARG 13 3HG ARG 13 17.813 2.711 6.356 110 HD2 ARG 13 2HD ARG 13 19.139 4.501 7.884 111 HD3 ARG 13 3HD ARG 13 19.855 2.996 8.462 112 HE ARG 13 HE ARG 13 20.205 4.208 5.871 113 HH11 ARG 13 1HH1 ARG 13 20.387 1.269 7.728 114 HH12 ARG 13 2HH1 ARG 13 21.520 0.510 6.659 115 HH21 ARG 13 1HH2 ARG 13 21.696 3.220 4.456 116 HH22 ARG 13 2HH2 ARG 13 22.264 1.621 4.798 117 H ALA 14 H ALA 14 16.307 5.956 9.629 118 HA ALA 14 HA ALA 14 18.871 7.169 9.802 119 HB1 ALA 14 1HB ALA 14 17.418 8.612 8.818 120 HB2 ALA 14 2HB ALA 14 16.061 8.114 9.829 121 HB3 ALA 14 3HB ALA 14 17.294 9.196 10.478 122 H VAL 15 H VAL 15 16.325 6.488 12.160 123 HA VAL 15 HA VAL 15 17.395 7.875 14.339 124 HB VAL 15 HB VAL 15 15.785 5.318 14.391 125 HG11 VAL 15 1HG1 VAL 15 15.079 6.247 16.646 126 HG12 VAL 15 2HG1 VAL 15 16.717 5.598 16.538 127 HG13 VAL 15 3HG1 VAL 15 16.454 7.342 16.511 128 HG21 VAL 15 3HG2 VAL 15 14.170 7.486 15.069 129 HG22 VAL 15 1HG2 VAL 15 15.102 8.029 13.673 130 HG23 VAL 15 2HG2 VAL 15 14.131 6.561 13.568 131 H GLY 16 H GLY 16 18.090 4.665 13.071 132 HA2 GLY 16 2HA GLY 16 19.583 3.678 15.238 133 HA3 GLY 16 3HA GLY 16 19.741 3.151 13.570 134 H ALA 17 H ALA 17 20.407 5.958 12.751 135 HA ALA 17 HA ALA 17 23.224 5.717 12.904 136 HB1 ALA 17 1HB ALA 17 21.962 6.814 11.050 137 HB2 ALA 17 2HB ALA 17 21.666 8.177 12.131 138 HB3 ALA 17 3HB ALA 17 23.316 7.760 11.669 139 H ILE 18 H ILE 18 21.022 8.146 14.314 140 HA ILE 18 HA ILE 18 23.133 9.144 16.027 141 HB ILE 18 HB ILE 18 20.214 9.916 15.933 142 HG12 ILE 18 2HG1 ILE 18 21.817 11.990 14.941 143 HG13 ILE 18 3HG1 ILE 18 22.447 10.527 14.193 144 HG21 ILE 18 1HG2 ILE 18 21.220 12.041 16.995 145 HG22 ILE 18 2HG2 ILE 18 20.965 10.624 18.013 146 HG23 ILE 18 3HG2 ILE 18 22.580 10.999 17.413 147 HD11 ILE 18 3HD1 ILE 18 20.549 10.156 12.999 148 HD12 ILE 18 1HD1 ILE 18 19.511 10.940 14.190 149 HD13 ILE 18 2HD1 ILE 18 20.499 11.916 13.103 Start of MODEL 9 1 H1 ASP 1 H ASP 1 1.296 0.345 0.557 2 HA ASP 1 HA ASP 1 1.409 -1.403 -1.794 3 HB2 ASP 1 2HB ASP 1 1.144 1.496 -1.819 4 HB3 ASP 1 3HB ASP 1 2.590 0.958 -2.669 5 HA PRO 2 HA PRO 2 5.614 -2.056 -0.735 6 HB2 PRO 2 2HB PRO 2 6.816 -2.210 -3.164 7 HB3 PRO 2 3HB PRO 2 5.750 -3.474 -2.537 8 HG2 PRO 2 2HG PRO 2 5.146 -1.276 -4.478 9 HG3 PRO 2 3HG PRO 2 4.666 -2.982 -4.535 10 HD2 PRO 2 2HD PRO 2 2.988 -1.024 -3.708 11 HD3 PRO 2 3HD PRO 2 2.928 -2.673 -3.053 12 H ARG 3 H ARG 3 4.775 0.708 -2.641 13 HA ARG 3 HA ARG 3 7.419 1.899 -2.400 14 HB2 ARG 3 2HB ARG 3 4.871 2.995 -3.603 15 HB3 ARG 3 3HB ARG 3 6.449 3.766 -3.681 16 HG2 ARG 3 2HG ARG 3 7.050 1.354 -4.715 17 HG3 ARG 3 3HG ARG 3 5.366 1.507 -5.219 18 HD2 ARG 3 2HD ARG 3 6.774 2.407 -6.944 19 HD3 ARG 3 3HD ARG 3 5.908 3.733 -6.170 20 HE ARG 3 HE ARG 3 8.273 3.609 -4.827 21 HH11 ARG 3 1HH1 ARG 3 7.378 3.908 -8.178 22 HH12 ARG 3 2HH1 ARG 3 8.787 4.821 -8.608 23 HH21 ARG 3 1HH2 ARG 3 10.131 4.812 -5.380 24 HH22 ARG 3 2HH2 ARG 3 10.352 5.334 -7.015 25 H ILE 4 H ILE 4 4.787 1.572 -0.442 26 HA ILE 4 HA ILE 4 5.054 4.220 0.786 27 HB ILE 4 HB ILE 4 3.034 2.027 1.258 28 HG12 ILE 4 2HG1 ILE 4 2.723 4.790 0.064 29 HG13 ILE 4 3HG1 ILE 4 2.800 3.296 -0.863 30 HG21 ILE 4 1HG2 ILE 4 1.881 3.755 2.660 31 HG22 ILE 4 2HG2 ILE 4 3.375 3.117 3.345 32 HG23 ILE 4 3HG2 ILE 4 3.362 4.708 2.585 33 HD11 ILE 4 3HD1 ILE 4 0.766 2.526 0.332 34 HD12 ILE 4 1HD1 ILE 4 0.663 4.117 1.085 35 HD13 ILE 4 2HD1 ILE 4 0.519 3.959 -0.666 36 H ALA 5 H ALA 5 5.798 0.874 1.281 37 HA ALA 5 HA ALA 5 6.338 1.167 4.106 38 HB1 ALA 5 1HB ALA 5 6.877 -1.118 2.214 39 HB2 ALA 5 2HB ALA 5 7.119 -1.166 3.961 40 HB3 ALA 5 3HB ALA 5 5.497 -0.953 3.300 41 H ALA 6 H ALA 6 8.118 1.229 1.100 42 HA ALA 6 HA ALA 6 10.714 0.842 2.036 43 HB1 ALA 6 1HB ALA 6 11.146 1.085 -0.124 44 HB2 ALA 6 2HB ALA 6 9.491 1.636 -0.387 45 HB3 ALA 6 3HB ALA 6 10.762 2.804 -0.025 46 H ARG 7 H ARG 7 8.586 3.544 2.386 47 HA ARG 7 HA ARG 7 10.757 5.308 3.230 48 HB2 ARG 7 2HB ARG 7 8.211 5.707 2.023 49 HB3 ARG 7 3HB ARG 7 8.192 6.505 3.590 50 HG2 ARG 7 2HG ARG 7 10.545 7.391 2.731 51 HG3 ARG 7 3HG ARG 7 9.776 7.113 1.167 52 HD2 ARG 7 2HD ARG 7 7.870 8.392 2.804 53 HD3 ARG 7 3HD ARG 7 9.389 9.261 3.015 54 HE ARG 7 HE ARG 7 8.720 8.727 0.268 55 HH11 ARG 7 1HH1 ARG 7 8.335 10.919 2.946 56 HH12 ARG 7 2HH1 ARG 7 7.985 12.288 1.943 57 HH21 ARG 7 1HH2 ARG 7 8.260 10.522 -1.062 58 HH22 ARG 7 2HH2 ARG 7 7.942 12.061 -0.336 59 H GLY 8 H GLY 8 8.230 3.330 4.522 60 HA2 GLY 8 2HA GLY 8 7.987 4.583 7.061 61 HA3 GLY 8 3HA GLY 8 7.500 2.941 6.668 62 H ARG 9 H ARG 9 10.200 2.202 5.764 63 HA ARG 9 HA ARG 9 11.236 1.433 8.332 64 HB2 ARG 9 2HB ARG 9 11.260 -0.104 6.401 65 HB3 ARG 9 3HB ARG 9 12.370 0.976 5.567 66 HG2 ARG 9 2HG ARG 9 14.153 0.322 6.798 67 HG3 ARG 9 3HG ARG 9 13.188 0.038 8.248 68 HD2 ARG 9 2HD ARG 9 12.314 -2.018 7.280 69 HD3 ARG 9 3HD ARG 9 13.228 -1.725 5.801 70 HE ARG 9 HE ARG 9 14.209 -2.876 8.209 71 HH11 ARG 9 1HH1 ARG 9 15.111 -0.845 5.529 72 HH12 ARG 9 2HH1 ARG 9 16.795 -1.243 5.625 73 HH21 ARG 9 1HH2 ARG 9 16.423 -3.407 8.346 74 HH22 ARG 9 2HH2 ARG 9 17.540 -2.701 7.228 75 H ALA 10 H ALA 10 12.001 3.804 5.894 76 HA ALA 10 HA ALA 10 14.630 4.421 6.487 77 HB1 ALA 10 1HB ALA 10 12.365 6.195 5.605 78 HB2 ALA 10 2HB ALA 10 14.038 6.745 5.718 79 HB3 ALA 10 3HB ALA 10 13.611 5.444 4.607 80 H ARG 11 H ARG 11 11.683 5.393 8.158 81 HA ARG 11 HA ARG 11 12.641 7.381 9.813 82 HB2 ARG 11 2HB ARG 11 10.260 6.559 9.616 83 HB3 ARG 11 3HB ARG 11 10.704 5.239 10.690 84 HG2 ARG 11 2HG ARG 11 11.287 6.851 12.432 85 HG3 ARG 11 3HG ARG 11 10.834 8.173 11.354 86 HD2 ARG 11 2HD ARG 11 8.581 6.763 11.225 87 HD3 ARG 11 3HD ARG 11 9.130 6.232 12.814 88 HE ARG 11 HE ARG 11 9.202 9.079 12.492 89 HH11 ARG 11 1HH1 ARG 11 7.180 6.358 13.284 90 HH12 ARG 11 2HH1 ARG 11 6.063 7.295 14.220 91 HH21 ARG 11 1HH2 ARG 11 7.738 10.323 13.721 92 HH22 ARG 11 2HH2 ARG 11 6.381 9.550 14.468 93 H LEU 12 H LEU 12 12.168 4.043 10.966 94 HA LEU 12 HA LEU 12 13.751 4.270 13.234 95 HB2 LEU 12 2HB LEU 12 13.293 1.792 11.579 96 HB3 LEU 12 3HB LEU 12 13.813 1.837 13.262 97 HG LEU 12 HG LEU 12 11.149 2.877 12.310 98 HD11 LEU 12 1HD1 LEU 12 11.932 0.163 13.342 99 HD12 LEU 12 2HD1 LEU 12 11.110 0.561 11.833 100 HD13 LEU 12 3HD1 LEU 12 10.275 0.767 13.373 101 HD21 LEU 12 3HD2 LEU 12 11.396 3.851 14.349 102 HD22 LEU 12 1HD2 LEU 12 12.525 2.624 14.924 103 HD23 LEU 12 2HD2 LEU 12 10.796 2.279 14.878 104 H ARG 13 H ARG 13 14.647 3.561 9.923 105 HA ARG 13 HA ARG 13 17.220 2.561 10.324 106 HB2 ARG 13 2HB ARG 13 15.754 2.902 8.147 107 HB3 ARG 13 3HB ARG 13 16.691 4.385 8.021 108 HG2 ARG 13 2HG ARG 13 17.845 1.610 8.212 109 HG3 ARG 13 3HG ARG 13 17.664 2.546 6.727 110 HD2 ARG 13 2HD ARG 13 19.433 3.123 9.090 111 HD3 ARG 13 3HD ARG 13 19.910 2.821 7.419 112 HE ARG 13 HE ARG 13 19.135 5.318 8.552 113 HH11 ARG 13 1HH1 ARG 13 19.072 3.436 5.624 114 HH12 ARG 13 2HH1 ARG 13 19.002 4.819 4.582 115 HH21 ARG 13 1HH2 ARG 13 19.043 7.146 7.191 116 HH22 ARG 13 2HH2 ARG 13 18.986 6.929 5.475 117 H ALA 14 H ALA 14 16.202 5.924 9.730 118 HA ALA 14 HA ALA 14 18.742 7.084 9.954 119 HB1 ALA 14 1HB ALA 14 17.673 9.025 9.607 120 HB2 ALA 14 2HB ALA 14 16.262 8.004 9.329 121 HB3 ALA 14 3HB ALA 14 16.520 8.739 10.911 122 H VAL 15 H VAL 15 16.296 6.350 12.389 123 HA VAL 15 HA VAL 15 17.530 7.697 14.544 124 HB VAL 15 HB VAL 15 15.695 5.297 14.622 125 HG11 VAL 15 1HG1 VAL 15 16.908 6.997 16.717 126 HG12 VAL 15 2HG1 VAL 15 15.205 6.579 16.917 127 HG13 VAL 15 3HG1 VAL 15 16.417 5.305 16.771 128 HG21 VAL 15 3HG2 VAL 15 15.242 8.205 14.279 129 HG22 VAL 15 1HG2 VAL 15 14.325 6.832 13.660 130 HG23 VAL 15 2HG2 VAL 15 14.131 7.337 15.338 131 H GLY 16 H GLY 16 17.625 4.285 13.526 132 HA2 GLY 16 2HA GLY 16 19.410 3.469 15.583 133 HA3 GLY 16 3HA GLY 16 19.037 2.570 14.120 134 H ALA 17 H ALA 17 19.883 4.901 12.450 135 HA ALA 17 HA ALA 17 22.495 4.106 11.897 136 HB1 ALA 17 1HB ALA 17 22.073 5.333 10.101 137 HB2 ALA 17 2HB ALA 17 20.645 6.012 10.883 138 HB3 ALA 17 3HB ALA 17 22.212 6.799 11.072 139 H ILE 18 H ILE 18 21.442 7.123 13.490 140 HA ILE 18 HA ILE 18 24.090 7.839 14.267 141 HB ILE 18 HB ILE 18 21.462 8.875 15.337 142 HG12 ILE 18 2HG1 ILE 18 23.234 10.018 13.169 143 HG13 ILE 18 3HG1 ILE 18 21.750 9.120 12.871 144 HG21 ILE 18 1HG2 ILE 18 23.213 9.440 16.851 145 HG22 ILE 18 2HG2 ILE 18 24.278 9.921 15.531 146 HG23 ILE 18 3HG2 ILE 18 22.848 10.883 15.906 147 HD11 ILE 18 3HD1 ILE 18 20.719 11.080 12.894 148 HD12 ILE 18 1HD1 ILE 18 20.980 11.093 14.638 149 HD13 ILE 18 2HD1 ILE 18 22.129 11.898 13.568 Start of MODEL 10 1 H1 ASP 1 H ASP 1 -0.294 0.412 -0.054 2 HA ASP 1 HA ASP 1 0.995 -0.781 -1.641 3 HB2 ASP 1 2HB ASP 1 1.288 2.174 -1.739 4 HB3 ASP 1 3HB ASP 1 2.328 1.236 -2.807 5 HA PRO 2 HA PRO 2 5.124 -1.826 -0.598 6 HB2 PRO 2 2HB PRO 2 6.270 -2.196 -3.031 7 HB3 PRO 2 3HB PRO 2 5.089 -3.318 -2.345 8 HG2 PRO 2 2HG PRO 2 4.687 -1.145 -4.365 9 HG3 PRO 2 3HG PRO 2 4.033 -2.794 -4.350 10 HD2 PRO 2 2HD PRO 2 2.578 -0.642 -3.585 11 HD3 PRO 2 3HD PRO 2 2.357 -2.249 -2.865 12 H ARG 3 H ARG 3 4.555 0.929 -2.620 13 HA ARG 3 HA ARG 3 7.309 1.851 -2.438 14 HB2 ARG 3 2HB ARG 3 4.879 3.150 -3.683 15 HB3 ARG 3 3HB ARG 3 6.528 3.750 -3.799 16 HG2 ARG 3 2HG ARG 3 6.990 1.363 -4.784 17 HG3 ARG 3 3HG ARG 3 5.260 1.414 -5.130 18 HD2 ARG 3 2HD ARG 3 6.480 3.903 -5.868 19 HD3 ARG 3 3HD ARG 3 7.356 2.565 -6.611 20 HE ARG 3 HE ARG 3 4.581 2.198 -6.952 21 HH11 ARG 3 1HH1 ARG 3 7.216 4.179 -8.071 22 HH12 ARG 3 2HH1 ARG 3 6.501 4.485 -9.619 23 HH21 ARG 3 1HH2 ARG 3 3.629 2.593 -8.987 24 HH22 ARG 3 2HH2 ARG 3 4.460 3.582 -10.139 25 H ILE 4 H ILE 4 4.671 1.883 -0.462 26 HA ILE 4 HA ILE 4 5.218 4.541 0.647 27 HB ILE 4 HB ILE 4 2.987 2.589 1.221 28 HG12 ILE 4 2HG1 ILE 4 2.954 5.314 -0.095 29 HG13 ILE 4 3HG1 ILE 4 2.866 3.780 -0.953 30 HG21 ILE 4 1HG2 ILE 4 3.456 3.732 3.258 31 HG22 ILE 4 2HG2 ILE 4 3.597 5.280 2.426 32 HG23 ILE 4 3HG2 ILE 4 2.027 4.485 2.550 33 HD11 ILE 4 3HD1 ILE 4 0.771 3.279 0.263 34 HD12 ILE 4 1HD1 ILE 4 0.845 4.890 0.976 35 HD13 ILE 4 2HD1 ILE 4 0.670 4.706 -0.769 36 H ALA 5 H ALA 5 5.618 1.161 1.288 37 HA ALA 5 HA ALA 5 6.205 1.521 4.097 38 HB1 ALA 5 1HB ALA 5 7.081 -0.981 3.540 39 HB2 ALA 5 2HB ALA 5 5.413 -0.578 3.948 40 HB3 ALA 5 3HB ALA 5 5.890 -0.750 2.259 41 H ALA 6 H ALA 6 7.960 1.272 1.086 42 HA ALA 6 HA ALA 6 10.510 0.660 2.031 43 HB1 ALA 6 1HB ALA 6 9.356 1.472 -0.420 44 HB2 ALA 6 2HB ALA 6 10.741 2.520 -0.113 45 HB3 ALA 6 3HB ALA 6 10.949 0.769 -0.140 46 H ARG 7 H ARG 7 8.672 3.579 2.270 47 HA ARG 7 HA ARG 7 11.019 5.144 3.033 48 HB2 ARG 7 2HB ARG 7 8.581 5.765 1.760 49 HB3 ARG 7 3HB ARG 7 8.531 6.562 3.327 50 HG2 ARG 7 2HG ARG 7 10.861 7.444 2.744 51 HG3 ARG 7 3HG ARG 7 10.490 6.940 1.094 52 HD2 ARG 7 2HD ARG 7 8.295 8.415 2.244 53 HD3 ARG 7 3HD ARG 7 9.791 9.344 2.331 54 HE ARG 7 HE ARG 7 9.653 8.328 -0.234 55 HH11 ARG 7 1HH1 ARG 7 7.768 10.449 1.782 56 HH12 ARG 7 2HH1 ARG 7 7.158 11.382 0.456 57 HH21 ARG 7 1HH2 ARG 7 8.856 9.548 -1.989 58 HH22 ARG 7 2HH2 ARG 7 7.777 10.868 -1.689 59 H GLY 8 H GLY 8 8.309 3.495 4.414 60 HA2 GLY 8 2HA GLY 8 8.214 4.872 6.897 61 HA3 GLY 8 3HA GLY 8 7.556 3.275 6.575 62 H ARG 9 H ARG 9 10.168 2.234 5.694 63 HA ARG 9 HA ARG 9 11.122 1.435 8.279 64 HB2 ARG 9 2HB ARG 9 11.017 -0.103 6.325 65 HB3 ARG 9 3HB ARG 9 12.287 0.838 5.555 66 HG2 ARG 9 2HG ARG 9 13.465 0.287 7.915 67 HG3 ARG 9 3HG ARG 9 12.444 -1.139 7.724 68 HD2 ARG 9 2HD ARG 9 13.394 -1.297 5.364 69 HD3 ARG 9 3HD ARG 9 14.599 -0.124 5.893 70 HE ARG 9 HE ARG 9 14.498 -2.907 6.553 71 HH11 ARG 9 1HH1 ARG 9 15.547 0.227 7.647 72 HH12 ARG 9 2HH1 ARG 9 16.805 -0.403 8.659 73 HH21 ARG 9 1HH2 ARG 9 16.150 -3.749 7.881 74 HH22 ARG 9 2HH2 ARG 9 17.147 -2.664 8.790 75 H ALA 10 H ALA 10 12.085 3.722 5.844 76 HA ALA 10 HA ALA 10 14.769 4.096 6.512 77 HB1 ALA 10 1HB ALA 10 13.526 6.595 5.814 78 HB2 ALA 10 2HB ALA 10 14.655 5.606 4.887 79 HB3 ALA 10 3HB ALA 10 12.922 5.293 4.789 80 H ARG 11 H ARG 11 11.849 5.216 8.067 81 HA ARG 11 HA ARG 11 12.772 7.317 9.597 82 HB2 ARG 11 2HB ARG 11 10.406 6.442 9.453 83 HB3 ARG 11 3HB ARG 11 10.874 5.198 10.604 84 HG2 ARG 11 2HG ARG 11 11.427 6.922 12.246 85 HG3 ARG 11 3HG ARG 11 10.952 8.168 11.090 86 HD2 ARG 11 2HD ARG 11 9.125 5.997 12.107 87 HD3 ARG 11 3HD ARG 11 9.202 7.627 12.774 88 HE ARG 11 HE ARG 11 8.738 8.052 10.142 89 HH11 ARG 11 1HH1 ARG 11 7.188 6.091 12.565 90 HH12 ARG 11 2HH1 ARG 11 5.617 6.211 11.844 91 HH21 ARG 11 1HH2 ARG 11 6.675 8.217 9.183 92 HH22 ARG 11 2HH2 ARG 11 5.327 7.420 9.919 93 H LEU 12 H LEU 12 12.358 4.047 10.951 94 HA LEU 12 HA LEU 12 13.961 4.453 13.189 95 HB2 LEU 12 2HB LEU 12 13.449 1.867 11.727 96 HB3 LEU 12 3HB LEU 12 14.038 2.017 13.381 97 HG LEU 12 HG LEU 12 11.353 3.058 12.502 98 HD11 LEU 12 1HD1 LEU 12 10.888 0.812 14.014 99 HD12 LEU 12 2HD1 LEU 12 12.222 0.320 12.971 100 HD13 LEU 12 3HD1 LEU 12 10.728 0.932 12.261 101 HD21 LEU 12 3HD2 LEU 12 10.982 2.665 15.024 102 HD22 LEU 12 1HD2 LEU 12 11.911 4.074 14.515 103 HD23 LEU 12 2HD2 LEU 12 12.743 2.643 15.123 104 H ARG 13 H ARG 13 14.810 3.532 9.925 105 HA ARG 13 HA ARG 13 17.380 2.535 10.350 106 HB2 ARG 13 2HB ARG 13 15.889 2.765 8.176 107 HB3 ARG 13 3HB ARG 13 16.836 4.230 7.954 108 HG2 ARG 13 2HG ARG 13 17.972 1.462 8.287 109 HG3 ARG 13 3HG ARG 13 17.778 2.314 6.754 110 HD2 ARG 13 2HD ARG 13 19.551 3.065 9.069 111 HD3 ARG 13 3HD ARG 13 20.047 2.569 7.452 112 HE ARG 13 HE ARG 13 18.511 4.810 7.079 113 HH11 ARG 13 1HH1 ARG 13 21.399 4.023 8.857 114 HH12 ARG 13 2HH1 ARG 13 22.068 5.616 8.729 115 HH21 ARG 13 1HH2 ARG 13 19.382 6.911 6.904 116 HH22 ARG 13 2HH2 ARG 13 20.920 7.258 7.619 117 H ALA 14 H ALA 14 16.391 5.867 9.558 118 HA ALA 14 HA ALA 14 18.930 7.024 9.676 119 HB1 ALA 14 1HB ALA 14 16.779 8.759 10.622 120 HB2 ALA 14 2HB ALA 14 17.849 8.931 9.229 121 HB3 ALA 14 3HB ALA 14 16.408 7.920 9.115 122 H VAL 15 H VAL 15 16.535 6.468 12.214 123 HA VAL 15 HA VAL 15 17.709 7.916 14.279 124 HB VAL 15 HB VAL 15 16.261 5.283 14.579 125 HG11 VAL 15 1HG1 VAL 15 15.727 6.009 16.789 126 HG12 VAL 15 2HG1 VAL 15 17.470 6.184 16.578 127 HG13 VAL 15 3HG1 VAL 15 16.423 7.602 16.495 128 HG21 VAL 15 3HG2 VAL 15 14.621 6.401 13.497 129 HG22 VAL 15 1HG2 VAL 15 14.381 7.139 15.082 130 HG23 VAL 15 2HG2 VAL 15 15.318 7.983 13.848 131 H GLY 16 H GLY 16 18.541 4.791 12.947 132 HA2 GLY 16 2HA GLY 16 20.189 3.898 15.073 133 HA3 GLY 16 3HA GLY 16 20.244 3.321 13.414 134 H ALA 17 H ALA 17 20.795 5.949 12.290 135 HA ALA 17 HA ALA 17 23.629 5.886 12.456 136 HB1 ALA 17 1HB ALA 17 21.685 7.050 10.764 137 HB2 ALA 17 2HB ALA 17 22.746 8.344 11.322 138 HB3 ALA 17 3HB ALA 17 23.427 6.933 10.512 139 H ILE 18 H ILE 18 21.145 7.840 13.968 140 HA ILE 18 HA ILE 18 21.214 9.496 15.533 141 HB ILE 18 HB ILE 18 23.737 8.050 16.350 142 HG12 ILE 18 2HG1 ILE 18 20.930 7.759 17.434 143 HG13 ILE 18 3HG1 ILE 18 21.638 6.672 16.244 144 HG21 ILE 18 1HG2 ILE 18 22.352 10.381 17.428 145 HG22 ILE 18 2HG2 ILE 18 22.623 9.108 18.617 146 HG23 ILE 18 3HG2 ILE 18 23.986 9.791 17.731 147 HD11 ILE 18 3HD1 ILE 18 21.785 5.694 18.431 148 HD12 ILE 18 1HD1 ILE 18 23.403 6.106 17.865 149 HD13 ILE 18 2HD1 ILE 18 22.599 7.128 19.056 Start of MODEL 11 1 H1 ASP 1 H ASP 1 1.349 -0.973 1.834 2 HA ASP 1 HA ASP 1 1.250 -1.027 -0.572 3 HB2 ASP 1 2HB ASP 1 1.309 1.843 -0.089 4 HB3 ASP 1 3HB ASP 1 2.407 1.369 -1.382 5 HA PRO 2 HA PRO 2 5.487 -2.124 -0.847 6 HB2 PRO 2 2HB PRO 2 5.974 -1.931 -3.511 7 HB3 PRO 2 3HB PRO 2 4.982 -3.213 -2.806 8 HG2 PRO 2 2HG PRO 2 4.127 -0.677 -4.149 9 HG3 PRO 2 3HG PRO 2 3.465 -2.313 -4.322 10 HD2 PRO 2 2HD PRO 2 2.294 -0.425 -2.775 11 HD3 PRO 2 3HD PRO 2 2.229 -2.155 -2.383 12 H ARG 3 H ARG 3 4.629 0.831 -2.611 13 HA ARG 3 HA ARG 3 7.363 1.813 -2.433 14 HB2 ARG 3 2HB ARG 3 4.889 3.085 -3.620 15 HB3 ARG 3 3HB ARG 3 6.522 3.727 -3.737 16 HG2 ARG 3 2HG ARG 3 6.598 1.057 -4.660 17 HG3 ARG 3 3HG ARG 3 5.218 1.850 -5.422 18 HD2 ARG 3 2HD ARG 3 8.024 2.953 -5.366 19 HD3 ARG 3 3HD ARG 3 7.323 2.062 -6.717 20 HE ARG 3 HE ARG 3 5.574 4.111 -6.256 21 HH11 ARG 3 1HH1 ARG 3 8.979 3.874 -6.945 22 HH12 ARG 3 2HH1 ARG 3 9.051 5.397 -7.767 23 HH21 ARG 3 1HH2 ARG 3 5.657 6.118 -7.336 24 HH22 ARG 3 2HH2 ARG 3 7.161 6.673 -7.988 25 H ILE 4 H ILE 4 4.745 1.732 -0.431 26 HA ILE 4 HA ILE 4 5.241 4.373 0.741 27 HB ILE 4 HB ILE 4 3.063 2.355 1.287 28 HG12 ILE 4 2HG1 ILE 4 2.850 3.568 -0.847 29 HG13 ILE 4 3HG1 ILE 4 1.588 4.033 0.288 30 HG21 ILE 4 1HG2 ILE 4 3.673 4.999 2.579 31 HG22 ILE 4 2HG2 ILE 4 2.078 4.251 2.643 32 HG23 ILE 4 3HG2 ILE 4 3.467 3.427 3.350 33 HD11 ILE 4 3HD1 ILE 4 3.472 5.672 -1.066 34 HD12 ILE 4 1HD1 ILE 4 2.148 6.147 -0.002 35 HD13 ILE 4 2HD1 ILE 4 3.743 5.808 0.671 36 H ALA 5 H ALA 5 5.727 0.989 1.291 37 HA ALA 5 HA ALA 5 6.335 1.291 4.102 38 HB1 ALA 5 1HB ALA 5 5.305 -0.770 3.198 39 HB2 ALA 5 2HB ALA 5 6.797 -1.093 2.315 40 HB3 ALA 5 3HB ALA 5 6.803 -1.072 4.078 41 H ALA 6 H ALA 6 8.064 1.156 1.068 42 HA ALA 6 HA ALA 6 10.637 0.582 1.972 43 HB1 ALA 6 1HB ALA 6 10.803 2.499 -0.127 44 HB2 ALA 6 2HB ALA 6 11.051 0.754 -0.199 45 HB3 ALA 6 3HB ALA 6 9.440 1.426 -0.447 46 H ARG 7 H ARG 7 8.735 3.450 2.301 47 HA ARG 7 HA ARG 7 11.052 5.051 3.080 48 HB2 ARG 7 2HB ARG 7 8.607 5.650 1.829 49 HB3 ARG 7 3HB ARG 7 8.517 6.385 3.424 50 HG2 ARG 7 2HG ARG 7 10.867 7.315 2.857 51 HG3 ARG 7 3HG ARG 7 10.417 6.945 1.191 52 HD2 ARG 7 2HD ARG 7 8.335 8.345 2.687 53 HD3 ARG 7 3HD ARG 7 9.830 9.265 2.532 54 HE ARG 7 HE ARG 7 9.030 8.144 0.043 55 HH11 ARG 7 1HH1 ARG 7 8.377 10.743 2.265 56 HH12 ARG 7 2HH1 ARG 7 7.764 11.807 1.044 57 HH21 ARG 7 1HH2 ARG 7 8.224 9.536 -1.575 58 HH22 ARG 7 2HH2 ARG 7 7.677 11.120 -1.140 59 H GLY 8 H GLY 8 8.397 3.305 4.445 60 HA2 GLY 8 2HA GLY 8 8.295 4.619 6.963 61 HA3 GLY 8 3HA GLY 8 7.671 3.015 6.608 62 H ARG 9 H ARG 9 10.293 2.052 5.678 63 HA ARG 9 HA ARG 9 11.287 1.198 8.225 64 HB2 ARG 9 2HB ARG 9 11.219 -0.245 6.179 65 HB3 ARG 9 3HB ARG 9 12.501 0.746 5.495 66 HG2 ARG 9 2HG ARG 9 13.276 -0.124 8.103 67 HG3 ARG 9 3HG ARG 9 12.746 -1.512 7.150 68 HD2 ARG 9 2HD ARG 9 14.238 -0.329 5.303 69 HD3 ARG 9 3HD ARG 9 15.039 0.329 6.729 70 HE ARG 9 HE ARG 9 15.256 -2.318 5.734 71 HH11 ARG 9 1HH1 ARG 9 15.134 -0.481 8.689 72 HH12 ARG 9 2HH1 ARG 9 16.042 -1.641 9.601 73 HH21 ARG 9 1HH2 ARG 9 16.453 -3.852 6.924 74 HH22 ARG 9 2HH2 ARG 9 16.793 -3.558 8.595 75 H ALA 10 H ALA 10 12.225 3.556 5.828 76 HA ALA 10 HA ALA 10 14.878 4.003 6.511 77 HB1 ALA 10 1HB ALA 10 12.843 6.052 5.638 78 HB2 ALA 10 2HB ALA 10 14.596 6.233 5.565 79 HB3 ALA 10 3HB ALA 10 13.793 5.019 4.569 80 H ARG 11 H ARG 11 11.938 5.035 8.114 81 HA ARG 11 HA ARG 11 12.863 7.057 9.747 82 HB2 ARG 11 2HB ARG 11 10.493 6.206 9.546 83 HB3 ARG 11 3HB ARG 11 10.944 4.905 10.640 84 HG2 ARG 11 2HG ARG 11 11.497 6.547 12.365 85 HG3 ARG 11 3HG ARG 11 11.038 7.849 11.265 86 HD2 ARG 11 2HD ARG 11 9.151 5.639 12.038 87 HD3 ARG 11 3HD ARG 11 9.303 7.125 12.975 88 HE ARG 11 HE ARG 11 8.836 7.653 10.214 89 HH11 ARG 11 1HH1 ARG 11 7.280 6.734 13.189 90 HH12 ARG 11 2HH1 ARG 11 5.735 7.370 12.730 91 HH21 ARG 11 1HH2 ARG 11 6.807 8.494 9.598 92 HH22 ARG 11 2HH2 ARG 11 5.467 8.370 10.687 93 H LEU 12 H LEU 12 12.418 3.730 10.943 94 HA LEU 12 HA LEU 12 13.950 3.982 13.229 95 HB2 LEU 12 2HB LEU 12 13.645 1.500 11.546 96 HB3 LEU 12 3HB LEU 12 14.094 1.558 13.250 97 HG LEU 12 HG LEU 12 11.451 2.618 12.303 98 HD11 LEU 12 1HD1 LEU 12 10.487 0.583 12.192 99 HD12 LEU 12 2HD1 LEU 12 11.550 -0.110 13.416 100 HD13 LEU 12 3HD1 LEU 12 12.119 0.075 11.757 101 HD21 LEU 12 3HD2 LEU 12 11.353 1.366 14.825 102 HD22 LEU 12 1HD2 LEU 12 11.237 3.088 14.460 103 HD23 LEU 12 2HD2 LEU 12 12.808 2.365 14.806 104 H ARG 13 H ARG 13 14.960 3.242 9.944 105 HA ARG 13 HA ARG 13 17.569 2.392 10.443 106 HB2 ARG 13 2HB ARG 13 16.144 2.577 8.221 107 HB3 ARG 13 3HB ARG 13 17.006 4.101 8.061 108 HG2 ARG 13 2HG ARG 13 18.297 1.400 8.384 109 HG3 ARG 13 3HG ARG 13 18.106 2.270 6.861 110 HD2 ARG 13 2HD ARG 13 19.760 3.059 9.249 111 HD3 ARG 13 3HD ARG 13 20.324 2.662 7.626 112 HE ARG 13 HE ARG 13 19.275 5.184 8.532 113 HH11 ARG 13 1HH1 ARG 13 19.859 3.135 5.779 114 HH12 ARG 13 2HH1 ARG 13 19.879 4.444 4.644 115 HH21 ARG 13 1HH2 ARG 13 19.299 6.916 7.048 116 HH22 ARG 13 2HH2 ARG 13 19.561 6.594 5.367 117 H ALA 14 H ALA 14 16.426 5.674 9.640 118 HA ALA 14 HA ALA 14 18.906 6.950 9.938 119 HB1 ALA 14 1HB ALA 14 16.072 7.913 10.019 120 HB2 ALA 14 2HB ALA 14 17.412 9.013 10.343 121 HB3 ALA 14 3HB ALA 14 17.308 8.184 8.790 122 H VAL 15 H VAL 15 16.260 6.443 12.246 123 HA VAL 15 HA VAL 15 17.366 7.901 14.379 124 HB VAL 15 HB VAL 15 15.532 5.504 14.529 125 HG11 VAL 15 1HG1 VAL 15 16.057 7.703 16.527 126 HG12 VAL 15 2HG1 VAL 15 14.870 6.409 16.701 127 HG13 VAL 15 3HG1 VAL 15 16.593 6.029 16.666 128 HG21 VAL 15 3HG2 VAL 15 15.109 8.290 13.730 129 HG22 VAL 15 1HG2 VAL 15 14.126 6.858 13.423 130 HG23 VAL 15 2HG2 VAL 15 13.988 7.710 14.961 131 H GLY 16 H GLY 16 17.991 4.692 13.177 132 HA2 GLY 16 2HA GLY 16 19.405 3.846 15.557 133 HA3 GLY 16 3HA GLY 16 19.261 2.951 14.052 134 H ALA 17 H ALA 17 20.178 5.493 12.631 135 HA ALA 17 HA ALA 17 22.999 4.845 12.744 136 HB1 ALA 17 1HB ALA 17 21.195 6.113 10.841 137 HB2 ALA 17 2HB ALA 17 22.755 6.927 10.969 138 HB3 ALA 17 3HB ALA 17 22.686 5.212 10.564 139 H ILE 18 H ILE 18 21.280 7.972 12.684 140 HA ILE 18 HA ILE 18 21.789 9.990 13.614 141 HB ILE 18 HB ILE 18 22.691 8.240 15.904 142 HG12 ILE 18 2HG1 ILE 18 20.368 7.822 15.244 143 HG13 ILE 18 3HG1 ILE 18 20.437 8.639 16.801 144 HG21 ILE 18 1HG2 ILE 18 22.324 11.178 15.611 145 HG22 ILE 18 2HG2 ILE 18 21.910 10.421 17.148 146 HG23 ILE 18 3HG2 ILE 18 23.547 10.277 16.507 147 HD11 ILE 18 3HD1 ILE 18 19.093 9.418 14.410 148 HD12 ILE 18 1HD1 ILE 18 19.041 10.155 16.011 149 HD13 ILE 18 2HD1 ILE 18 20.273 10.652 14.851 Start of MODEL 12 1 H1 ASP 1 H ASP 1 0.974 0.507 0.894 2 HA ASP 1 HA ASP 1 1.001 -1.265 -1.462 3 HB2 ASP 1 2HB ASP 1 0.667 1.601 -1.265 4 HB3 ASP 1 3HB ASP 1 2.085 1.205 -2.233 5 HA PRO 2 HA PRO 2 5.297 -1.954 -0.917 6 HB2 PRO 2 2HB PRO 2 6.227 -1.924 -3.467 7 HB3 PRO 2 3HB PRO 2 5.238 -3.239 -2.821 8 HG2 PRO 2 2HG PRO 2 4.422 -0.914 -4.521 9 HG3 PRO 2 3HG PRO 2 3.941 -2.616 -4.648 10 HD2 PRO 2 2HD PRO 2 2.362 -0.737 -3.505 11 HD3 PRO 2 3HD PRO 2 2.375 -2.429 -2.967 12 H ARG 3 H ARG 3 4.305 0.894 -2.668 13 HA ARG 3 HA ARG 3 6.949 2.097 -2.500 14 HB2 ARG 3 2HB ARG 3 4.348 3.208 -3.570 15 HB3 ARG 3 3HB ARG 3 5.917 3.993 -3.689 16 HG2 ARG 3 2HG ARG 3 5.149 1.366 -4.947 17 HG3 ARG 3 3HG ARG 3 5.319 2.914 -5.778 18 HD2 ARG 3 2HD ARG 3 7.502 1.387 -4.364 19 HD3 ARG 3 3HD ARG 3 7.301 1.552 -6.108 20 HE ARG 3 HE ARG 3 7.465 4.115 -5.036 21 HH11 ARG 3 1HH1 ARG 3 9.470 1.289 -5.371 22 HH12 ARG 3 2HH1 ARG 3 10.952 2.185 -5.417 23 HH21 ARG 3 1HH2 ARG 3 9.410 5.306 -5.095 24 HH22 ARG 3 2HH2 ARG 3 10.917 4.470 -5.259 25 H ILE 4 H ILE 4 4.400 1.698 -0.448 26 HA ILE 4 HA ILE 4 4.700 4.313 0.842 27 HB ILE 4 HB ILE 4 2.716 2.091 1.333 28 HG12 ILE 4 2HG1 ILE 4 2.337 4.884 0.231 29 HG13 ILE 4 3HG1 ILE 4 2.387 3.416 -0.740 30 HG21 ILE 4 1HG2 ILE 4 1.609 3.764 2.832 31 HG22 ILE 4 2HG2 ILE 4 3.140 3.131 3.434 32 HG23 ILE 4 3HG2 ILE 4 3.072 4.741 2.718 33 HD11 ILE 4 3HD1 ILE 4 0.458 2.852 1.126 34 HD12 ILE 4 1HD1 ILE 4 0.210 4.566 0.797 35 HD13 ILE 4 2HD1 ILE 4 0.177 3.401 -0.526 36 H ALA 5 H ALA 5 5.486 0.960 1.213 37 HA ALA 5 HA ALA 5 6.138 1.179 4.021 38 HB1 ALA 5 1HB ALA 5 5.370 -0.943 3.465 39 HB2 ALA 5 2HB ALA 5 6.334 -1.014 1.990 40 HB3 ALA 5 3HB ALA 5 7.118 -1.158 3.563 41 H ALA 6 H ALA 6 7.793 1.340 0.948 42 HA ALA 6 HA ALA 6 10.428 0.947 1.767 43 HB1 ALA 6 1HB ALA 6 10.770 1.254 -0.401 44 HB2 ALA 6 2HB ALA 6 9.102 1.798 -0.581 45 HB3 ALA 6 3HB ALA 6 10.378 2.966 -0.238 46 H ARG 7 H ARG 7 8.298 3.622 2.278 47 HA ARG 7 HA ARG 7 10.490 5.377 3.084 48 HB2 ARG 7 2HB ARG 7 7.891 5.790 1.996 49 HB3 ARG 7 3HB ARG 7 7.939 6.550 3.581 50 HG2 ARG 7 2HG ARG 7 10.166 7.575 2.752 51 HG3 ARG 7 3HG ARG 7 9.564 7.149 1.148 52 HD2 ARG 7 2HD ARG 7 7.539 8.452 2.762 53 HD3 ARG 7 3HD ARG 7 8.981 9.449 2.585 54 HE ARG 7 HE ARG 7 7.087 8.759 0.535 55 HH11 ARG 7 1HH1 ARG 7 10.351 9.767 1.203 56 HH12 ARG 7 2HH1 ARG 7 10.590 10.478 -0.359 57 HH21 ARG 7 1HH2 ARG 7 7.389 9.691 -1.525 58 HH22 ARG 7 2HH2 ARG 7 8.904 10.435 -1.910 59 H GLY 8 H GLY 8 8.029 3.346 4.420 60 HA2 GLY 8 2HA GLY 8 7.881 4.526 7.001 61 HA3 GLY 8 3HA GLY 8 7.388 2.893 6.581 62 H ARG 9 H ARG 9 10.060 2.209 5.546 63 HA ARG 9 HA ARG 9 11.204 1.384 8.055 64 HB2 ARG 9 2HB ARG 9 11.123 -0.087 6.043 65 HB3 ARG 9 3HB ARG 9 12.274 0.985 5.257 66 HG2 ARG 9 2HG ARG 9 13.927 0.484 6.982 67 HG3 ARG 9 3HG ARG 9 12.770 -0.587 7.777 68 HD2 ARG 9 2HD ARG 9 12.710 -2.009 5.799 69 HD3 ARG 9 3HD ARG 9 13.826 -0.923 4.971 70 HE ARG 9 HE ARG 9 15.187 -1.618 7.200 71 HH11 ARG 9 1HH1 ARG 9 13.555 -3.450 4.730 72 HH12 ARG 9 2HH1 ARG 9 14.609 -4.819 4.865 73 HH21 ARG 9 1HH2 ARG 9 16.582 -3.414 7.387 74 HH22 ARG 9 2HH2 ARG 9 16.330 -4.797 6.378 75 H ALA 10 H ALA 10 11.832 3.818 5.649 76 HA ALA 10 HA ALA 10 14.502 4.414 6.187 77 HB1 ALA 10 1HB ALA 10 13.416 6.861 5.606 78 HB2 ALA 10 2HB ALA 10 13.954 5.671 4.421 79 HB3 ALA 10 3HB ALA 10 12.254 5.746 4.886 80 H ARG 11 H ARG 11 11.572 5.307 7.897 81 HA ARG 11 HA ARG 11 12.457 7.387 9.477 82 HB2 ARG 11 2HB ARG 11 10.126 6.420 9.372 83 HB3 ARG 11 3HB ARG 11 10.680 5.155 10.461 84 HG2 ARG 11 2HG ARG 11 11.215 6.839 12.148 85 HG3 ARG 11 3HG ARG 11 10.654 8.106 11.055 86 HD2 ARG 11 2HD ARG 11 8.689 6.001 11.377 87 HD3 ARG 11 3HD ARG 11 9.134 6.724 12.922 88 HE ARG 11 HE ARG 11 7.549 7.909 10.890 89 HH11 ARG 11 1HH1 ARG 11 9.950 8.647 13.301 90 HH12 ARG 11 2HH1 ARG 11 9.435 10.289 13.499 91 HH21 ARG 11 1HH2 ARG 11 6.861 10.069 11.142 92 HH22 ARG 11 2HH2 ARG 11 7.677 11.097 12.271 93 H LEU 12 H LEU 12 12.221 4.056 10.717 94 HA LEU 12 HA LEU 12 13.850 4.426 12.930 95 HB2 LEU 12 2HB LEU 12 13.564 1.875 11.354 96 HB3 LEU 12 3HB LEU 12 14.028 2.024 13.047 97 HG LEU 12 HG LEU 12 11.317 2.638 11.874 98 HD11 LEU 12 1HD1 LEU 12 12.351 0.393 13.591 99 HD12 LEU 12 2HD1 LEU 12 11.635 0.284 11.983 100 HD13 LEU 12 3HD1 LEU 12 10.637 0.742 13.363 101 HD21 LEU 12 3HD2 LEU 12 12.583 3.448 14.354 102 HD22 LEU 12 1HD2 LEU 12 11.112 2.514 14.629 103 HD23 LEU 12 2HD2 LEU 12 11.058 3.972 13.638 104 H ARG 13 H ARG 13 14.700 3.637 9.616 105 HA ARG 13 HA ARG 13 17.351 2.852 9.988 106 HB2 ARG 13 2HB ARG 13 15.805 2.967 7.843 107 HB3 ARG 13 3HB ARG 13 16.624 4.506 7.611 108 HG2 ARG 13 2HG ARG 13 17.989 1.838 7.909 109 HG3 ARG 13 3HG ARG 13 17.697 2.678 6.384 110 HD2 ARG 13 2HD ARG 13 19.423 3.600 8.676 111 HD3 ARG 13 3HD ARG 13 19.960 3.090 7.076 112 HE ARG 13 HE ARG 13 18.275 5.186 6.601 113 HH11 ARG 13 1HH1 ARG 13 21.150 4.711 8.506 114 HH12 ARG 13 2HH1 ARG 13 21.683 6.352 8.349 115 HH21 ARG 13 1HH2 ARG 13 18.966 7.350 6.388 116 HH22 ARG 13 2HH2 ARG 13 20.439 7.852 7.145 117 H ALA 14 H ALA 14 16.096 6.094 9.190 118 HA ALA 14 HA ALA 14 18.509 7.468 9.254 119 HB1 ALA 14 1HB ALA 14 16.304 9.024 10.337 120 HB2 ALA 14 2HB ALA 14 17.234 9.254 8.856 121 HB3 ALA 14 3HB ALA 14 15.866 8.141 8.875 122 H VAL 15 H VAL 15 16.208 6.872 11.897 123 HA VAL 15 HA VAL 15 17.548 8.302 13.893 124 HB VAL 15 HB VAL 15 15.875 5.808 14.233 125 HG11 VAL 15 1HG1 VAL 15 16.926 7.857 16.142 126 HG12 VAL 15 2HG1 VAL 15 15.414 7.013 16.481 127 HG13 VAL 15 3HG1 VAL 15 16.910 6.100 16.285 128 HG21 VAL 15 3HG2 VAL 15 14.336 7.976 14.942 129 HG22 VAL 15 1HG2 VAL 15 15.203 8.549 13.517 130 HG23 VAL 15 2HG2 VAL 15 14.226 7.084 13.425 131 H GLY 16 H GLY 16 18.018 5.038 12.673 132 HA2 GLY 16 2HA GLY 16 19.649 4.019 14.704 133 HA3 GLY 16 3HA GLY 16 19.691 3.507 13.024 134 H ALA 17 H ALA 17 20.326 6.413 12.322 135 HA ALA 17 HA ALA 17 23.166 6.084 12.288 136 HB1 ALA 17 1HB ALA 17 23.233 7.925 10.881 137 HB2 ALA 17 2HB ALA 17 21.643 7.238 10.547 138 HB3 ALA 17 3HB ALA 17 21.792 8.651 11.593 139 H ILE 18 H ILE 18 20.898 7.798 14.292 140 HA ILE 18 HA ILE 18 21.136 9.153 16.111 141 HB ILE 18 HB ILE 18 23.702 7.590 16.421 142 HG12 ILE 18 2HG1 ILE 18 21.495 6.892 18.176 143 HG13 ILE 18 3HG1 ILE 18 21.057 6.700 16.482 144 HG21 ILE 18 1HG2 ILE 18 23.216 8.148 18.894 145 HG22 ILE 18 2HG2 ILE 18 23.944 9.386 17.872 146 HG23 ILE 18 3HG2 ILE 18 22.221 9.449 18.240 147 HD11 ILE 18 3HD1 ILE 18 22.510 4.937 18.096 148 HD12 ILE 18 1HD1 ILE 18 22.188 4.808 16.367 149 HD13 ILE 18 2HD1 ILE 18 23.657 5.602 16.934 Start of MODEL 13 1 H1 ASP 1 H ASP 1 1.616 -0.194 0.728 2 HA ASP 1 HA ASP 1 1.484 -0.695 -1.918 3 HB2 ASP 1 2HB ASP 1 1.385 2.224 -1.419 4 HB3 ASP 1 3HB ASP 1 2.485 1.691 -2.687 5 HA PRO 2 HA PRO 2 5.779 -1.377 -1.360 6 HB2 PRO 2 2HB PRO 2 6.752 -1.105 -3.880 7 HB3 PRO 2 3HB PRO 2 5.770 -2.485 -3.373 8 HG2 PRO 2 2HG PRO 2 4.951 -0.026 -4.871 9 HG3 PRO 2 3HG PRO 2 4.496 -1.715 -5.160 10 HD2 PRO 2 2HD PRO 2 2.871 0.033 -3.880 11 HD3 PRO 2 3HD PRO 2 2.899 -1.701 -3.498 12 H ARG 3 H ARG 3 4.766 1.610 -2.836 13 HA ARG 3 HA ARG 3 7.392 2.827 -2.542 14 HB2 ARG 3 2HB ARG 3 4.778 4.016 -3.489 15 HB3 ARG 3 3HB ARG 3 6.345 4.812 -3.545 16 HG2 ARG 3 2HG ARG 3 6.174 2.184 -4.871 17 HG3 ARG 3 3HG ARG 3 5.273 3.504 -5.618 18 HD2 ARG 3 2HD ARG 3 7.645 3.176 -6.428 19 HD3 ARG 3 3HD ARG 3 7.223 4.805 -5.900 20 HE ARG 3 HE ARG 3 8.697 4.595 -4.145 21 HH11 ARG 3 1HH1 ARG 3 8.228 1.502 -5.673 22 HH12 ARG 3 2HH1 ARG 3 9.528 0.737 -4.820 23 HH21 ARG 3 1HH2 ARG 3 10.411 3.600 -3.016 24 HH22 ARG 3 2HH2 ARG 3 10.769 1.931 -3.309 25 H ILE 4 H ILE 4 4.850 2.188 -0.543 26 HA ILE 4 HA ILE 4 5.119 4.663 1.005 27 HB ILE 4 HB ILE 4 3.154 2.386 1.261 28 HG12 ILE 4 2HG1 ILE 4 2.757 5.273 0.445 29 HG13 ILE 4 3HG1 ILE 4 2.814 3.909 -0.666 30 HG21 ILE 4 1HG2 ILE 4 3.568 3.211 3.459 31 HG22 ILE 4 2HG2 ILE 4 3.482 4.884 2.909 32 HG23 ILE 4 3HG2 ILE 4 2.029 3.884 2.921 33 HD11 ILE 4 3HD1 ILE 4 0.888 3.179 1.169 34 HD12 ILE 4 1HD1 ILE 4 0.625 4.908 0.938 35 HD13 ILE 4 2HD1 ILE 4 0.610 3.819 -0.450 36 H ALA 5 H ALA 5 5.933 1.297 1.037 37 HA ALA 5 HA ALA 5 6.577 1.235 3.854 38 HB1 ALA 5 1HB ALA 5 7.738 -0.957 2.459 39 HB2 ALA 5 2HB ALA 5 6.362 -0.952 3.562 40 HB3 ALA 5 3HB ALA 5 6.109 -0.691 1.836 41 H ALA 6 H ALA 6 8.237 1.726 0.821 42 HA ALA 6 HA ALA 6 10.874 1.273 1.601 43 HB1 ALA 6 1HB ALA 6 10.804 3.494 -0.181 44 HB2 ALA 6 2HB ALA 6 11.220 1.814 -0.521 45 HB3 ALA 6 3HB ALA 6 9.545 2.351 -0.649 46 H ARG 7 H ARG 7 8.720 3.861 2.385 47 HA ARG 7 HA ARG 7 10.895 5.540 3.378 48 HB2 ARG 7 2HB ARG 7 8.323 6.057 2.303 49 HB3 ARG 7 3HB ARG 7 8.304 6.606 3.973 50 HG2 ARG 7 2HG ARG 7 10.495 7.805 3.402 51 HG3 ARG 7 3HG ARG 7 10.049 7.520 1.719 52 HD2 ARG 7 2HD ARG 7 7.920 8.635 3.415 53 HD3 ARG 7 3HD ARG 7 9.306 9.693 3.156 54 HE ARG 7 HE ARG 7 8.292 8.512 0.742 55 HH11 ARG 7 1HH1 ARG 7 7.972 11.152 2.989 56 HH12 ARG 7 2HH1 ARG 7 7.243 12.218 1.834 57 HH21 ARG 7 1HH2 ARG 7 7.333 9.906 -0.788 58 HH22 ARG 7 2HH2 ARG 7 6.880 11.508 -0.314 59 H GLY 8 H GLY 8 8.446 3.361 4.484 60 HA2 GLY 8 2HA GLY 8 8.284 4.262 7.175 61 HA3 GLY 8 3HA GLY 8 7.803 2.678 6.584 62 H ARG 9 H ARG 9 10.478 2.118 5.492 63 HA ARG 9 HA ARG 9 11.616 1.021 7.889 64 HB2 ARG 9 2HB ARG 9 11.586 -0.193 5.717 65 HB3 ARG 9 3HB ARG 9 12.716 0.992 5.074 66 HG2 ARG 9 2HG ARG 9 14.447 0.267 6.490 67 HG3 ARG 9 3HG ARG 9 13.334 -0.652 7.506 68 HD2 ARG 9 2HD ARG 9 13.631 -1.317 4.605 69 HD3 ARG 9 3HD ARG 9 14.820 -1.893 5.773 70 HE ARG 9 HE ARG 9 12.156 -2.868 5.402 71 HH11 ARG 9 1HH1 ARG 9 14.713 -2.442 7.726 72 HH12 ARG 9 2HH1 ARG 9 14.186 -3.745 8.740 73 HH21 ARG 9 1HH2 ARG 9 11.452 -4.585 6.728 74 HH22 ARG 9 2HH2 ARG 9 12.332 -4.964 8.171 75 H ALA 10 H ALA 10 12.319 3.683 5.729 76 HA ALA 10 HA ALA 10 14.945 4.252 6.444 77 HB1 ALA 10 1HB ALA 10 14.671 5.993 5.084 78 HB2 ALA 10 2HB ALA 10 13.012 5.438 4.858 79 HB3 ALA 10 3HB ALA 10 13.374 6.660 6.077 80 H ARG 11 H ARG 11 11.925 5.071 8.064 81 HA ARG 11 HA ARG 11 12.791 6.947 9.891 82 HB2 ARG 11 2HB ARG 11 10.432 6.112 9.545 83 HB3 ARG 11 3HB ARG 11 10.855 4.724 10.538 84 HG2 ARG 11 2HG ARG 11 11.348 6.213 12.412 85 HG3 ARG 11 3HG ARG 11 10.917 7.604 11.414 86 HD2 ARG 11 2HD ARG 11 8.756 5.855 11.196 87 HD3 ARG 11 3HD ARG 11 9.218 5.800 12.897 88 HE ARG 11 HE ARG 11 9.148 8.474 12.156 89 HH11 ARG 11 1HH1 ARG 11 6.939 5.796 12.419 90 HH12 ARG 11 2HH1 ARG 11 5.565 6.794 12.764 91 HH21 ARG 11 1HH2 ARG 11 7.347 9.799 12.609 92 HH22 ARG 11 2HH2 ARG 11 5.799 9.071 12.871 93 H LEU 12 H LEU 12 12.326 3.530 10.785 94 HA LEU 12 HA LEU 12 13.812 3.608 13.124 95 HB2 LEU 12 2HB LEU 12 13.548 1.231 11.292 96 HB3 LEU 12 3HB LEU 12 13.871 1.205 13.025 97 HG LEU 12 HG LEU 12 11.300 2.166 11.774 98 HD11 LEU 12 1HD1 LEU 12 10.411 0.035 12.813 99 HD12 LEU 12 2HD1 LEU 12 12.090 -0.489 12.939 100 HD13 LEU 12 3HD1 LEU 12 11.389 -0.150 11.357 101 HD21 LEU 12 3HD2 LEU 12 12.248 2.883 14.168 102 HD22 LEU 12 1HD2 LEU 12 11.504 1.345 14.608 103 HD23 LEU 12 2HD2 LEU 12 10.532 2.612 13.858 104 H ARG 13 H ARG 13 14.859 3.120 9.810 105 HA ARG 13 HA ARG 13 17.441 2.167 10.267 106 HB2 ARG 13 2HB ARG 13 16.056 2.585 8.051 107 HB3 ARG 13 3HB ARG 13 16.955 4.096 8.041 108 HG2 ARG 13 2HG ARG 13 18.179 1.346 8.137 109 HG3 ARG 13 3HG ARG 13 18.031 2.355 6.696 110 HD2 ARG 13 2HD ARG 13 19.622 2.957 9.185 111 HD3 ARG 13 3HD ARG 13 20.258 2.567 7.587 112 HE ARG 13 HE ARG 13 18.638 4.817 7.327 113 HH11 ARG 13 1HH1 ARG 13 21.614 3.896 8.880 114 HH12 ARG 13 2HH1 ARG 13 22.300 5.485 8.800 115 HH21 ARG 13 1HH2 ARG 13 19.530 6.914 7.215 116 HH22 ARG 13 2HH2 ARG 13 21.113 7.201 7.854 117 H ALA 14 H ALA 14 16.436 5.538 9.659 118 HA ALA 14 HA ALA 14 18.901 6.742 10.094 119 HB1 ALA 14 1HB ALA 14 16.795 7.793 9.164 120 HB2 ALA 14 2HB ALA 14 16.278 8.011 10.836 121 HB3 ALA 14 3HB ALA 14 17.749 8.795 10.259 122 H VAL 15 H VAL 15 16.269 6.165 12.419 123 HA VAL 15 HA VAL 15 17.426 7.333 14.657 124 HB VAL 15 HB VAL 15 15.712 4.846 14.674 125 HG11 VAL 15 1HG1 VAL 15 14.967 5.769 16.869 126 HG12 VAL 15 2HG1 VAL 15 16.661 5.273 16.832 127 HG13 VAL 15 3HG1 VAL 15 16.239 6.983 16.734 128 HG21 VAL 15 3HG2 VAL 15 14.148 7.111 15.205 129 HG22 VAL 15 1HG2 VAL 15 15.110 7.509 13.782 130 HG23 VAL 15 2HG2 VAL 15 14.087 6.073 13.781 131 H GLY 16 H GLY 16 17.921 4.135 13.263 132 HA2 GLY 16 2HA GLY 16 19.315 2.936 15.370 133 HA3 GLY 16 3HA GLY 16 19.505 2.527 13.671 134 H ALA 17 H ALA 17 20.388 5.237 12.959 135 HA ALA 17 HA ALA 17 23.161 4.954 13.858 136 HB1 ALA 17 1HB ALA 17 23.452 6.723 11.946 137 HB2 ALA 17 2HB ALA 17 23.220 5.016 11.565 138 HB3 ALA 17 3HB ALA 17 21.864 6.138 11.451 139 H ILE 18 H ILE 18 21.160 7.761 12.944 140 HA ILE 18 HA ILE 18 22.543 9.401 14.889 141 HB ILE 18 HB ILE 18 20.271 10.135 13.039 142 HG12 ILE 18 2HG1 ILE 18 23.219 10.705 12.704 143 HG13 ILE 18 3HG1 ILE 18 22.400 9.353 11.930 144 HG21 ILE 18 1HG2 ILE 18 21.907 12.344 13.707 145 HG22 ILE 18 2HG2 ILE 18 20.212 12.075 14.111 146 HG23 ILE 18 3HG2 ILE 18 21.478 11.525 15.209 147 HD11 ILE 18 3HD1 ILE 18 21.541 12.204 11.555 148 HD12 ILE 18 1HD1 ILE 18 22.731 11.410 10.523 149 HD13 ILE 18 2HD1 ILE 18 21.081 10.790 10.607 Start of MODEL 14 1 H1 ASP 1 H ASP 1 0.113 -0.580 0.147 2 HA ASP 1 HA ASP 1 1.389 -1.276 -1.624 3 HB2 ASP 1 2HB ASP 1 1.287 1.672 -1.629 4 HB3 ASP 1 3HB ASP 1 2.537 0.969 -2.651 5 HA PRO 2 HA PRO 2 5.609 -1.943 -0.637 6 HB2 PRO 2 2HB PRO 2 6.767 -2.115 -3.087 7 HB3 PRO 2 3HB PRO 2 5.707 -3.370 -2.435 8 HG2 PRO 2 2HG PRO 2 5.077 -1.180 -4.376 9 HG3 PRO 2 3HG PRO 2 4.589 -2.884 -4.415 10 HD2 PRO 2 2HD PRO 2 2.935 -0.915 -3.569 11 HD3 PRO 2 3HD PRO 2 2.879 -2.560 -2.905 12 H ARG 3 H ARG 3 4.742 0.820 -2.527 13 HA ARG 3 HA ARG 3 7.396 1.998 -2.364 14 HB2 ARG 3 2HB ARG 3 4.892 3.341 -3.369 15 HB3 ARG 3 3HB ARG 3 6.563 3.739 -3.747 16 HG2 ARG 3 2HG ARG 3 6.620 1.338 -4.752 17 HG3 ARG 3 3HG ARG 3 4.865 1.519 -4.782 18 HD2 ARG 3 2HD ARG 3 5.436 2.323 -6.860 19 HD3 ARG 3 3HD ARG 3 5.408 3.808 -5.910 20 HE ARG 3 HE ARG 3 8.001 2.813 -5.814 21 HH11 ARG 3 1HH1 ARG 3 5.773 4.045 -8.188 22 HH12 ARG 3 2HH1 ARG 3 7.016 4.670 -9.221 23 HH21 ARG 3 1HH2 ARG 3 9.647 3.631 -7.165 24 HH22 ARG 3 2HH2 ARG 3 9.219 4.432 -8.639 25 H ILE 4 H ILE 4 4.833 1.675 -0.317 26 HA ILE 4 HA ILE 4 5.161 4.316 0.915 27 HB ILE 4 HB ILE 4 3.137 2.138 1.438 28 HG12 ILE 4 2HG1 ILE 4 2.806 3.391 -0.658 29 HG13 ILE 4 3HG1 ILE 4 1.534 3.736 0.509 30 HG21 ILE 4 1HG2 ILE 4 2.056 4.013 2.823 31 HG22 ILE 4 2HG2 ILE 4 3.414 3.135 3.526 32 HG23 ILE 4 3HG2 ILE 4 3.664 4.738 2.833 33 HD11 ILE 4 3HD1 ILE 4 2.173 5.769 -0.562 34 HD12 ILE 4 1HD1 ILE 4 2.733 5.820 1.110 35 HD13 ILE 4 2HD1 ILE 4 3.874 5.486 -0.193 36 H ALA 5 H ALA 5 5.887 0.959 1.367 37 HA ALA 5 HA ALA 5 6.521 1.230 4.175 38 HB1 ALA 5 1HB ALA 5 7.585 -1.146 3.538 39 HB2 ALA 5 2HB ALA 5 5.870 -0.915 3.880 40 HB3 ALA 5 3HB ALA 5 6.435 -0.974 2.211 41 H ALA 6 H ALA 6 8.203 1.298 1.113 42 HA ALA 6 HA ALA 6 10.824 0.880 1.963 43 HB1 ALA 6 1HB ALA 6 11.190 1.135 -0.208 44 HB2 ALA 6 2HB ALA 6 9.531 1.700 -0.414 45 HB3 ALA 6 3HB ALA 6 10.822 2.856 -0.087 46 H ARG 7 H ARG 7 8.734 3.600 2.397 47 HA ARG 7 HA ARG 7 10.948 5.337 3.184 48 HB2 ARG 7 2HB ARG 7 8.425 5.788 2.006 49 HB3 ARG 7 3HB ARG 7 8.353 6.503 3.611 50 HG2 ARG 7 2HG ARG 7 10.673 7.518 2.909 51 HG3 ARG 7 3HG ARG 7 10.050 7.231 1.283 52 HD2 ARG 7 2HD ARG 7 8.106 8.472 3.071 53 HD3 ARG 7 3HD ARG 7 9.555 9.447 2.829 54 HE ARG 7 HE ARG 7 8.427 8.424 0.391 55 HH11 ARG 7 1HH1 ARG 7 8.339 11.001 2.731 56 HH12 ARG 7 2HH1 ARG 7 7.674 12.157 1.625 57 HH21 ARG 7 1HH2 ARG 7 7.551 9.938 -1.073 58 HH22 ARG 7 2HH2 ARG 7 7.225 11.551 -0.538 59 H GLY 8 H GLY 8 8.442 3.376 4.542 60 HA2 GLY 8 2HA GLY 8 8.292 4.615 7.095 61 HA3 GLY 8 3HA GLY 8 7.774 2.982 6.706 62 H ARG 9 H ARG 9 10.439 2.224 5.712 63 HA ARG 9 HA ARG 9 11.533 1.381 8.222 64 HB2 ARG 9 2HB ARG 9 11.521 -0.012 6.137 65 HB3 ARG 9 3HB ARG 9 12.733 1.072 5.467 66 HG2 ARG 9 2HG ARG 9 14.372 0.362 6.954 67 HG3 ARG 9 3HG ARG 9 13.192 -0.316 8.078 68 HD2 ARG 9 2HD ARG 9 13.823 -1.383 5.328 69 HD3 ARG 9 3HD ARG 9 14.397 -2.063 6.850 70 HE ARG 9 HE ARG 9 11.680 -2.027 7.100 71 HH11 ARG 9 1HH1 ARG 9 13.922 -3.363 4.796 72 HH12 ARG 9 2HH1 ARG 9 12.900 -4.698 4.379 73 HH21 ARG 9 1HH2 ARG 9 10.325 -3.781 6.559 74 HH22 ARG 9 2HH2 ARG 9 10.854 -4.934 5.382 75 H ALA 10 H ALA 10 12.220 3.889 5.912 76 HA ALA 10 HA ALA 10 14.864 4.491 6.523 77 HB1 ALA 10 1HB ALA 10 13.751 5.520 4.653 78 HB2 ALA 10 2HB ALA 10 12.625 6.347 5.730 79 HB3 ALA 10 3HB ALA 10 14.335 6.780 5.741 80 H ARG 11 H ARG 11 11.900 5.320 8.220 81 HA ARG 11 HA ARG 11 12.776 7.309 9.918 82 HB2 ARG 11 2HB ARG 11 10.435 6.381 9.715 83 HB3 ARG 11 3HB ARG 11 10.948 5.056 10.753 84 HG2 ARG 11 2HG ARG 11 11.467 6.649 12.532 85 HG3 ARG 11 3HG ARG 11 10.947 7.976 11.490 86 HD2 ARG 11 2HD ARG 11 9.162 5.670 12.234 87 HD3 ARG 11 3HD ARG 11 9.255 7.155 13.179 88 HE ARG 11 HE ARG 11 8.742 7.704 10.438 89 HH11 ARG 11 1HH1 ARG 11 7.238 6.599 13.377 90 HH12 ARG 11 2HH1 ARG 11 5.656 7.143 12.927 91 HH21 ARG 11 1HH2 ARG 11 6.664 8.425 9.833 92 HH22 ARG 11 2HH2 ARG 11 5.331 8.181 10.910 93 H LEU 12 H LEU 12 12.468 3.924 10.989 94 HA LEU 12 HA LEU 12 14.084 4.188 13.242 95 HB2 LEU 12 2HB LEU 12 13.669 1.700 11.593 96 HB3 LEU 12 3HB LEU 12 14.186 1.767 13.276 97 HG LEU 12 HG LEU 12 11.497 2.735 12.321 98 HD11 LEU 12 1HD1 LEU 12 11.440 0.444 11.847 99 HD12 LEU 12 2HD1 LEU 12 10.717 0.584 13.449 100 HD13 LEU 12 3HD1 LEU 12 12.384 0.033 13.279 101 HD21 LEU 12 3HD2 LEU 12 11.638 3.691 14.360 102 HD22 LEU 12 1HD2 LEU 12 12.900 2.588 14.910 103 HD23 LEU 12 2HD2 LEU 12 11.214 2.071 14.914 104 H ARG 13 H ARG 13 14.918 3.631 9.904 105 HA ARG 13 HA ARG 13 17.503 2.622 10.188 106 HB2 ARG 13 2HB ARG 13 15.989 3.087 8.068 107 HB3 ARG 13 3HB ARG 13 16.917 4.579 8.011 108 HG2 ARG 13 2HG ARG 13 18.087 1.805 8.009 109 HG3 ARG 13 3HG ARG 13 17.869 2.828 6.588 110 HD2 ARG 13 2HD ARG 13 19.634 3.364 8.971 111 HD3 ARG 13 3HD ARG 13 20.149 2.997 7.325 112 HE ARG 13 HE ARG 13 18.562 5.276 7.208 113 HH11 ARG 13 1HH1 ARG 13 21.599 4.285 8.591 114 HH12 ARG 13 2HH1 ARG 13 22.301 5.867 8.509 115 HH21 ARG 13 1HH2 ARG 13 19.475 7.363 7.095 116 HH22 ARG 13 2HH2 ARG 13 21.091 7.617 7.659 117 H ALA 14 H ALA 14 16.505 6.016 9.722 118 HA ALA 14 HA ALA 14 19.012 7.186 9.967 119 HB1 ALA 14 1HB ALA 14 17.563 9.170 10.905 120 HB2 ALA 14 2HB ALA 14 17.440 8.670 9.218 121 HB3 ALA 14 3HB ALA 14 16.226 8.145 10.384 122 H VAL 15 H VAL 15 16.609 6.498 12.494 123 HA VAL 15 HA VAL 15 18.059 7.600 14.639 124 HB VAL 15 HB VAL 15 16.072 5.326 14.740 125 HG11 VAL 15 1HG1 VAL 15 15.695 6.466 17.057 126 HG12 VAL 15 2HG1 VAL 15 17.027 5.329 16.838 127 HG13 VAL 15 3HG1 VAL 15 17.334 7.066 16.811 128 HG21 VAL 15 3HG2 VAL 15 14.831 6.997 13.761 129 HG22 VAL 15 1HG2 VAL 15 14.582 7.354 15.470 130 HG23 VAL 15 2HG2 VAL 15 15.752 8.285 14.536 131 H GLY 16 H GLY 16 18.315 4.566 12.967 132 HA2 GLY 16 2HA GLY 16 19.701 3.125 14.988 133 HA3 GLY 16 3HA GLY 16 19.671 2.734 13.275 134 H ALA 17 H ALA 17 20.683 5.578 12.781 135 HA ALA 17 HA ALA 17 23.501 4.872 12.972 136 HB1 ALA 17 1HB ALA 17 23.181 7.396 11.742 137 HB2 ALA 17 2HB ALA 17 23.589 5.855 10.987 138 HB3 ALA 17 3HB ALA 17 21.901 6.346 11.133 139 H ILE 18 H ILE 18 21.221 7.167 14.289 140 HA ILE 18 HA ILE 18 23.254 8.827 15.487 141 HB ILE 18 HB ILE 18 20.298 8.808 16.093 142 HG12 ILE 18 2HG1 ILE 18 20.661 9.120 13.688 143 HG13 ILE 18 3HG1 ILE 18 20.105 10.613 14.436 144 HG21 ILE 18 1HG2 ILE 18 21.222 10.098 17.747 145 HG22 ILE 18 2HG2 ILE 18 22.572 10.617 16.739 146 HG23 ILE 18 3HG2 ILE 18 20.970 11.314 16.495 147 HD11 ILE 18 3HD1 ILE 18 21.866 11.687 13.655 148 HD12 ILE 18 1HD1 ILE 18 22.953 10.562 14.470 149 HD13 ILE 18 2HD1 ILE 18 22.379 10.210 12.839 Start of MODEL 15 1 H1 ASP 1 H ASP 1 0.697 0.243 0.788 2 HA ASP 1 HA ASP 1 1.501 -1.169 -1.422 3 HB2 ASP 1 2HB ASP 1 1.376 1.712 -0.730 4 HB3 ASP 1 3HB ASP 1 2.347 1.288 -2.137 5 HA PRO 2 HA PRO 2 5.848 -1.731 -1.321 6 HB2 PRO 2 2HB PRO 2 6.562 -1.271 -3.900 7 HB3 PRO 2 3HB PRO 2 5.676 -2.713 -3.391 8 HG2 PRO 2 2HG PRO 2 4.642 -0.199 -4.644 9 HG3 PRO 2 3HG PRO 2 4.211 -1.883 -4.995 10 HD2 PRO 2 2HD PRO 2 2.668 -0.275 -3.457 11 HD3 PRO 2 3HD PRO 2 2.784 -2.026 -3.191 12 H ARG 3 H ARG 3 4.685 1.277 -2.722 13 HA ARG 3 HA ARG 3 7.280 2.556 -2.408 14 HB2 ARG 3 2HB ARG 3 4.644 3.673 -3.383 15 HB3 ARG 3 3HB ARG 3 6.184 4.521 -3.411 16 HG2 ARG 3 2HG ARG 3 5.633 1.954 -4.883 17 HG3 ARG 3 3HG ARG 3 5.519 3.565 -5.596 18 HD2 ARG 3 2HD ARG 3 7.962 2.181 -4.514 19 HD3 ARG 3 3HD ARG 3 7.655 2.702 -6.171 20 HE ARG 3 HE ARG 3 8.573 4.334 -3.972 21 HH11 ARG 3 1HH1 ARG 3 7.113 4.276 -7.131 22 HH12 ARG 3 2HH1 ARG 3 7.572 5.902 -7.516 23 HH21 ARG 3 1HH2 ARG 3 9.184 6.475 -4.466 24 HH22 ARG 3 2HH2 ARG 3 8.751 7.151 -6.000 25 H ILE 4 H ILE 4 4.737 1.855 -0.432 26 HA ILE 4 HA ILE 4 4.931 4.336 1.119 27 HB ILE 4 HB ILE 4 3.026 2.006 1.363 28 HG12 ILE 4 2HG1 ILE 4 2.629 3.491 -0.566 29 HG13 ILE 4 3HG1 ILE 4 1.339 3.613 0.626 30 HG21 ILE 4 1HG2 ILE 4 1.847 3.547 2.990 31 HG22 ILE 4 2HG2 ILE 4 3.337 2.800 3.562 32 HG23 ILE 4 3HG2 ILE 4 3.340 4.483 3.036 33 HD11 ILE 4 3HD1 ILE 4 2.890 5.678 -0.487 34 HD12 ILE 4 1HD1 ILE 4 1.639 5.795 0.750 35 HD13 ILE 4 2HD1 ILE 4 3.324 5.564 1.218 36 H ALA 5 H ALA 5 5.837 0.993 1.156 37 HA ALA 5 HA ALA 5 6.462 0.949 3.979 38 HB1 ALA 5 1HB ALA 5 6.038 -0.989 1.976 39 HB2 ALA 5 2HB ALA 5 7.687 -1.208 2.565 40 HB3 ALA 5 3HB ALA 5 6.334 -1.246 3.695 41 H ALA 6 H ALA 6 8.132 1.475 0.954 42 HA ALA 6 HA ALA 6 10.773 1.097 1.755 43 HB1 ALA 6 1HB ALA 6 11.118 1.638 -0.366 44 HB2 ALA 6 2HB ALA 6 9.432 2.137 -0.507 45 HB3 ALA 6 3HB ALA 6 10.661 3.309 -0.033 46 H ARG 7 H ARG 7 8.544 3.626 2.519 47 HA ARG 7 HA ARG 7 10.665 5.368 3.520 48 HB2 ARG 7 2HB ARG 7 8.053 5.793 2.463 49 HB3 ARG 7 3HB ARG 7 8.074 6.393 4.116 50 HG2 ARG 7 2HG ARG 7 10.232 7.604 3.436 51 HG3 ARG 7 3HG ARG 7 9.726 7.268 1.779 52 HD2 ARG 7 2HD ARG 7 7.619 8.378 3.485 53 HD3 ARG 7 3HD ARG 7 8.993 9.455 3.238 54 HE ARG 7 HE ARG 7 7.027 8.685 1.295 55 HH11 ARG 7 1HH1 ARG 7 10.297 9.786 1.761 56 HH12 ARG 7 2HH1 ARG 7 10.423 10.490 0.183 57 HH21 ARG 7 1HH2 ARG 7 7.181 9.608 -0.785 58 HH22 ARG 7 2HH2 ARG 7 8.650 10.388 -1.265 59 H GLY 8 H GLY 8 8.277 3.121 4.619 60 HA2 GLY 8 2HA GLY 8 8.072 4.021 7.306 61 HA3 GLY 8 3HA GLY 8 7.645 2.422 6.717 62 H ARG 9 H ARG 9 10.332 1.925 5.645 63 HA ARG 9 HA ARG 9 11.512 0.946 8.089 64 HB2 ARG 9 2HB ARG 9 11.423 -0.398 5.987 65 HB3 ARG 9 3HB ARG 9 12.556 0.734 5.261 66 HG2 ARG 9 2HG ARG 9 14.269 -0.359 6.133 67 HG3 ARG 9 3HG ARG 9 13.601 -0.187 7.757 68 HD2 ARG 9 2HD ARG 9 12.016 -2.138 6.847 69 HD3 ARG 9 3HD ARG 9 13.443 -2.455 5.861 70 HE ARG 9 HE ARG 9 14.050 -2.122 8.642 71 HH11 ARG 9 1HH1 ARG 9 12.983 -4.380 6.216 72 HH12 ARG 9 2HH1 ARG 9 13.536 -5.774 7.085 73 HH21 ARG 9 1HH2 ARG 9 14.782 -3.949 9.794 74 HH22 ARG 9 2HH2 ARG 9 14.558 -5.528 9.120 75 H ALA 10 H ALA 10 12.296 3.327 5.603 76 HA ALA 10 HA ALA 10 14.887 3.975 6.311 77 HB1 ALA 10 1HB ALA 10 14.640 5.903 5.057 78 HB2 ALA 10 2HB ALA 10 13.384 4.859 4.392 79 HB3 ALA 10 3HB ALA 10 12.959 6.127 5.541 80 H ARG 11 H ARG 11 11.872 4.888 7.851 81 HA ARG 11 HA ARG 11 12.666 7.002 9.434 82 HB2 ARG 11 2HB ARG 11 10.347 6.020 9.230 83 HB3 ARG 11 3HB ARG 11 10.851 4.778 10.368 84 HG2 ARG 11 2HG ARG 11 11.292 6.496 12.049 85 HG3 ARG 11 3HG ARG 11 10.783 7.740 10.906 86 HD2 ARG 11 2HD ARG 11 8.989 5.459 11.678 87 HD3 ARG 11 3HD ARG 11 9.073 6.939 12.632 88 HE ARG 11 HE ARG 11 8.631 7.758 10.047 89 HH11 ARG 11 1HH1 ARG 11 7.010 5.706 12.346 90 HH12 ARG 11 2HH1 ARG 11 5.427 6.039 11.724 91 HH21 ARG 11 1HH2 ARG 11 6.553 8.204 9.219 92 HH22 ARG 11 2HH2 ARG 11 5.169 7.459 9.945 93 H LEU 12 H LEU 12 12.382 3.692 10.723 94 HA LEU 12 HA LEU 12 13.911 4.124 13.003 95 HB2 LEU 12 2HB LEU 12 13.635 1.538 11.481 96 HB3 LEU 12 3HB LEU 12 14.085 1.713 13.176 97 HG LEU 12 HG LEU 12 11.405 2.524 12.059 98 HD11 LEU 12 1HD1 LEU 12 10.654 0.433 13.308 99 HD12 LEU 12 2HD1 LEU 12 12.345 -0.064 13.254 100 HD13 LEU 12 3HD1 LEU 12 11.456 0.202 11.754 101 HD21 LEU 12 3HD2 LEU 12 10.892 2.192 14.588 102 HD22 LEU 12 1HD2 LEU 12 11.654 3.684 14.038 103 HD23 LEU 12 2HD2 LEU 12 12.631 2.418 14.783 104 H ARG 13 H ARG 13 14.891 3.379 9.737 105 HA ARG 13 HA ARG 13 17.498 2.495 10.191 106 HB2 ARG 13 2HB ARG 13 16.051 2.739 7.988 107 HB3 ARG 13 3HB ARG 13 16.927 4.257 7.851 108 HG2 ARG 13 2HG ARG 13 18.194 1.537 8.104 109 HG3 ARG 13 3HG ARG 13 17.995 2.441 6.602 110 HD2 ARG 13 2HD ARG 13 19.638 3.238 9.000 111 HD3 ARG 13 3HD ARG 13 20.240 2.742 7.419 112 HE ARG 13 HE ARG 13 18.572 4.955 7.062 113 HH11 ARG 13 1HH1 ARG 13 21.632 4.159 8.519 114 HH12 ARG 13 2HH1 ARG 13 22.301 5.741 8.289 115 HH21 ARG 13 1HH2 ARG 13 19.441 7.041 6.754 116 HH22 ARG 13 2HH2 ARG 13 21.053 7.379 7.286 117 H ALA 14 H ALA 14 16.391 5.801 9.434 118 HA ALA 14 HA ALA 14 18.855 7.073 9.700 119 HB1 ALA 14 1HB ALA 14 16.998 8.943 10.558 120 HB2 ALA 14 2HB ALA 14 17.528 8.669 8.898 121 HB3 ALA 14 3HB ALA 14 16.079 7.868 9.505 122 H VAL 15 H VAL 15 16.399 6.327 12.130 123 HA VAL 15 HA VAL 15 17.531 7.753 14.270 124 HB VAL 15 HB VAL 15 15.885 5.221 14.377 125 HG11 VAL 15 1HG1 VAL 15 15.291 6.566 16.639 126 HG12 VAL 15 2HG1 VAL 15 16.521 5.304 16.539 127 HG13 VAL 15 3HG1 VAL 15 16.989 7.003 16.446 128 HG21 VAL 15 3HG2 VAL 15 14.723 6.968 13.172 129 HG22 VAL 15 1HG2 VAL 15 13.993 6.761 14.764 130 HG23 VAL 15 2HG2 VAL 15 15.068 8.125 14.458 131 H GLY 16 H GLY 16 18.049 4.446 13.118 132 HA2 GLY 16 2HA GLY 16 19.695 3.596 15.250 133 HA3 GLY 16 3HA GLY 16 19.645 2.882 13.645 134 H ALA 17 H ALA 17 20.352 5.526 12.434 135 HA ALA 17 HA ALA 17 23.152 5.142 12.326 136 HB1 ALA 17 1HB ALA 17 21.194 6.734 10.973 137 HB2 ALA 17 2HB ALA 17 22.588 7.731 11.389 138 HB3 ALA 17 3HB ALA 17 22.808 6.260 10.441 139 H ILE 18 H ILE 18 21.129 7.571 13.934 140 HA ILE 18 HA ILE 18 23.493 8.727 15.205 141 HB ILE 18 HB ILE 18 20.608 9.614 15.322 142 HG12 ILE 18 2HG1 ILE 18 22.898 10.945 13.876 143 HG13 ILE 18 3HG1 ILE 18 21.837 9.779 13.092 144 HG21 ILE 18 1HG2 ILE 18 22.311 11.727 15.981 145 HG22 ILE 18 2HG2 ILE 18 21.234 10.845 17.062 146 HG23 ILE 18 3HG2 ILE 18 22.913 10.338 16.885 147 HD11 ILE 18 3HD1 ILE 18 19.934 11.321 13.889 148 HD12 ILE 18 1HD1 ILE 18 21.211 12.519 14.098 149 HD13 ILE 18 2HD1 ILE 18 20.915 11.813 12.509 Start of MODEL 16 1 H1 ASP 1 H ASP 1 1.069 -0.604 0.896 2 HA ASP 1 HA ASP 1 1.124 -1.129 -1.660 3 HB2 ASP 1 2HB ASP 1 0.974 1.813 -1.410 4 HB3 ASP 1 3HB ASP 1 2.156 1.208 -2.568 5 HA PRO 2 HA PRO 2 5.401 -1.748 -0.919 6 HB2 PRO 2 2HB PRO 2 6.448 -1.682 -3.423 7 HB3 PRO 2 3HB PRO 2 5.453 -3.018 -2.833 8 HG2 PRO 2 2HG PRO 2 4.677 -0.695 -4.553 9 HG3 PRO 2 3HG PRO 2 4.233 -2.404 -4.714 10 HD2 PRO 2 2HD PRO 2 2.569 -0.562 -3.634 11 HD3 PRO 2 3HD PRO 2 2.586 -2.257 -3.108 12 H ARG 3 H ARG 3 4.380 1.131 -2.544 13 HA ARG 3 HA ARG 3 7.007 2.372 -2.377 14 HB2 ARG 3 2HB ARG 3 4.362 3.489 -3.326 15 HB3 ARG 3 3HB ARG 3 5.915 4.306 -3.442 16 HG2 ARG 3 2HG ARG 3 6.085 1.700 -4.630 17 HG3 ARG 3 3HG ARG 3 4.731 2.602 -5.316 18 HD2 ARG 3 2HD ARG 3 6.793 2.981 -6.575 19 HD3 ARG 3 3HD ARG 3 6.212 4.466 -5.824 20 HE ARG 3 HE ARG 3 7.975 3.498 -4.012 21 HH11 ARG 3 1HH1 ARG 3 8.159 4.164 -7.424 22 HH12 ARG 3 2HH1 ARG 3 9.850 4.540 -7.392 23 HH21 ARG 3 1HH2 ARG 3 10.201 3.991 -3.957 24 HH22 ARG 3 2HH2 ARG 3 11.011 4.440 -5.420 25 H ILE 4 H ILE 4 4.517 1.822 -0.289 26 HA ILE 4 HA ILE 4 4.805 4.373 1.127 27 HB ILE 4 HB ILE 4 2.870 2.095 1.550 28 HG12 ILE 4 2HG1 ILE 4 2.433 3.486 -0.438 29 HG13 ILE 4 3HG1 ILE 4 1.187 3.696 0.787 30 HG21 ILE 4 1HG2 ILE 4 3.237 2.976 3.696 31 HG22 ILE 4 2HG2 ILE 4 3.311 4.632 3.094 32 HG23 ILE 4 3HG2 ILE 4 1.772 3.772 3.121 33 HD11 ILE 4 3HD1 ILE 4 3.231 5.633 1.208 34 HD12 ILE 4 1HD1 ILE 4 2.734 5.670 -0.483 35 HD13 ILE 4 2HD1 ILE 4 1.534 5.875 0.794 36 H ALA 5 H ALA 5 5.654 1.020 1.306 37 HA ALA 5 HA ALA 5 6.371 1.107 4.106 38 HB1 ALA 5 1HB ALA 5 7.187 -1.184 3.732 39 HB2 ALA 5 2HB ALA 5 5.526 -0.966 3.181 40 HB3 ALA 5 3HB ALA 5 6.844 -1.010 2.011 41 H ALA 6 H ALA 6 7.947 1.456 1.008 42 HA ALA 6 HA ALA 6 10.608 1.067 1.743 43 HB1 ALA 6 1HB ALA 6 9.209 2.015 -0.525 44 HB2 ALA 6 2HB ALA 6 10.475 3.187 -0.153 45 HB3 ALA 6 3HB ALA 6 10.891 1.493 -0.414 46 H ARG 7 H ARG 7 8.447 3.674 2.443 47 HA ARG 7 HA ARG 7 10.629 5.424 3.288 48 HB2 ARG 7 2HB ARG 7 7.988 5.842 2.294 49 HB3 ARG 7 3HB ARG 7 8.082 6.534 3.908 50 HG2 ARG 7 2HG ARG 7 10.216 7.680 3.106 51 HG3 ARG 7 3HG ARG 7 9.698 7.226 1.481 52 HD2 ARG 7 2HD ARG 7 7.489 8.377 2.872 53 HD3 ARG 7 3HD ARG 7 8.881 9.447 3.028 54 HE ARG 7 HE ARG 7 7.396 8.867 0.632 55 HH11 ARG 7 1HH1 ARG 7 10.424 9.981 1.941 56 HH12 ARG 7 2HH1 ARG 7 10.868 10.856 0.513 57 HH21 ARG 7 1HH2 ARG 7 7.970 10.016 -1.253 58 HH22 ARG 7 2HH2 ARG 7 9.472 10.876 -1.302 59 H GLY 8 H GLY 8 8.234 3.284 4.573 60 HA2 GLY 8 2HA GLY 8 8.131 4.325 7.215 61 HA3 GLY 8 3HA GLY 8 7.653 2.708 6.722 62 H ARG 9 H ARG 9 10.310 2.124 5.590 63 HA ARG 9 HA ARG 9 11.525 1.182 8.021 64 HB2 ARG 9 2HB ARG 9 11.428 -0.168 5.926 65 HB3 ARG 9 3HB ARG 9 12.544 0.970 5.184 66 HG2 ARG 9 2HG ARG 9 14.333 0.205 6.366 67 HG3 ARG 9 3HG ARG 9 13.350 -0.293 7.744 68 HD2 ARG 9 2HD ARG 9 12.426 -1.938 5.777 69 HD3 ARG 9 3HD ARG 9 14.127 -1.780 5.341 70 HE ARG 9 HE ARG 9 13.678 -2.379 8.120 71 HH11 ARG 9 1HH1 ARG 9 14.107 -3.698 4.928 72 HH12 ARG 9 2HH1 ARG 9 14.662 -5.237 5.497 73 HH21 ARG 9 1HH2 ARG 9 14.408 -4.401 8.882 74 HH22 ARG 9 2HH2 ARG 9 14.832 -5.637 7.746 75 H ALA 10 H ALA 10 12.105 3.724 5.698 76 HA ALA 10 HA ALA 10 14.757 4.350 6.242 77 HB1 ALA 10 1HB ALA 10 13.453 5.343 4.413 78 HB2 ALA 10 2HB ALA 10 12.537 6.284 5.591 79 HB3 ALA 10 3HB ALA 10 14.266 6.567 5.390 80 H ARG 11 H ARG 11 11.820 5.234 7.980 81 HA ARG 11 HA ARG 11 12.775 7.190 9.674 82 HB2 ARG 11 2HB ARG 11 10.402 6.341 9.487 83 HB3 ARG 11 3HB ARG 11 10.878 4.999 10.519 84 HG2 ARG 11 2HG ARG 11 11.463 6.571 12.296 85 HG3 ARG 11 3HG ARG 11 10.979 7.916 11.260 86 HD2 ARG 11 2HD ARG 11 8.851 6.042 11.308 87 HD3 ARG 11 3HD ARG 11 9.368 6.312 12.972 88 HE ARG 11 HE ARG 11 9.113 8.780 11.628 89 HH11 ARG 11 1HH1 ARG 11 7.198 6.200 12.967 90 HH12 ARG 11 2HH1 ARG 11 5.832 7.213 13.302 91 HH21 ARG 11 1HH2 ARG 11 7.322 10.124 12.065 92 HH22 ARG 11 2HH2 ARG 11 5.904 9.444 12.788 93 H LEU 12 H LEU 12 12.360 3.816 10.743 94 HA LEU 12 HA LEU 12 13.960 3.996 12.999 95 HB2 LEU 12 2HB LEU 12 13.549 1.564 11.266 96 HB3 LEU 12 3HB LEU 12 14.069 1.567 12.949 97 HG LEU 12 HG LEU 12 11.364 2.441 11.936 98 HD11 LEU 12 1HD1 LEU 12 11.367 0.123 11.759 99 HD12 LEU 12 2HD1 LEU 12 10.693 0.411 13.363 100 HD13 LEU 12 3HD1 LEU 12 12.377 -0.083 13.190 101 HD21 LEU 12 3HD2 LEU 12 12.744 3.023 14.361 102 HD22 LEU 12 1HD2 LEU 12 11.395 1.944 14.717 103 HD23 LEU 12 2HD2 LEU 12 11.107 3.471 13.882 104 H ARG 13 H ARG 13 14.845 3.376 9.662 105 HA ARG 13 HA ARG 13 17.448 2.441 10.028 106 HB2 ARG 13 2HB ARG 13 15.955 2.772 7.867 107 HB3 ARG 13 3HB ARG 13 16.850 4.282 7.755 108 HG2 ARG 13 2HG ARG 13 18.082 1.538 7.898 109 HG3 ARG 13 3HG ARG 13 17.862 2.489 6.427 110 HD2 ARG 13 2HD ARG 13 19.607 3.128 8.797 111 HD3 ARG 13 3HD ARG 13 20.117 2.779 7.146 112 HE ARG 13 HE ARG 13 18.512 4.981 6.928 113 HH11 ARG 13 1HH1 ARG 13 21.386 4.179 8.721 114 HH12 ARG 13 2HH1 ARG 13 21.986 5.804 8.739 115 HH21 ARG 13 1HH2 ARG 13 19.292 7.125 6.944 116 HH22 ARG 13 2HH2 ARG 13 20.794 7.479 7.728 117 H ALA 14 H ALA 14 16.363 5.785 9.427 118 HA ALA 14 HA ALA 14 18.843 7.027 9.638 119 HB1 ALA 14 1HB ALA 14 17.700 8.952 9.429 120 HB2 ALA 14 2HB ALA 14 16.333 7.883 9.111 121 HB3 ALA 14 3HB ALA 14 16.575 8.548 10.727 122 H VAL 15 H VAL 15 16.463 6.287 12.159 123 HA VAL 15 HA VAL 15 17.787 7.561 14.286 124 HB VAL 15 HB VAL 15 15.982 5.141 14.401 125 HG11 VAL 15 1HG1 VAL 15 16.786 5.145 16.522 126 HG12 VAL 15 2HG1 VAL 15 17.236 6.851 16.467 127 HG13 VAL 15 3HG1 VAL 15 15.552 6.389 16.720 128 HG21 VAL 15 3HG2 VAL 15 15.420 7.781 13.606 129 HG22 VAL 15 1HG2 VAL 15 14.273 6.484 13.945 130 HG23 VAL 15 2HG2 VAL 15 14.756 7.594 15.229 131 H GLY 16 H GLY 16 18.349 4.534 12.690 132 HA2 GLY 16 2HA GLY 16 19.746 3.171 14.715 133 HA3 GLY 16 3HA GLY 16 19.934 2.902 12.988 134 H ALA 17 H ALA 17 20.941 5.310 12.139 135 HA ALA 17 HA ALA 17 23.670 5.062 12.747 136 HB1 ALA 17 1HB ALA 17 23.893 7.239 11.522 137 HB2 ALA 17 2HB ALA 17 23.037 5.973 10.641 138 HB3 ALA 17 3HB ALA 17 22.133 7.278 11.409 139 H ILE 18 H ILE 18 21.713 7.981 13.344 140 HA ILE 18 HA ILE 18 23.474 9.116 15.190 141 HB ILE 18 HB ILE 18 21.460 10.453 15.949 142 HG12 ILE 18 2HG1 ILE 18 19.939 9.476 13.608 143 HG13 ILE 18 3HG1 ILE 18 20.002 8.379 14.984 144 HG21 ILE 18 1HG2 ILE 18 22.697 11.564 14.373 145 HG22 ILE 18 2HG2 ILE 18 22.486 10.303 13.159 146 HG23 ILE 18 3HG2 ILE 18 21.161 11.410 13.520 147 HD11 ILE 18 3HD1 ILE 18 19.136 10.178 16.419 148 HD12 ILE 18 1HD1 ILE 18 19.007 11.217 15.000 149 HD13 ILE 18 2HD1 ILE 18 18.032 9.751 15.111 Start of MODEL 17 1 H1 ASP 1 H ASP 1 2.178 -0.779 1.335 2 HA ASP 1 HA ASP 1 1.823 -1.458 -1.357 3 HB2 ASP 1 2HB ASP 1 1.688 1.441 -0.726 4 HB3 ASP 1 3HB ASP 1 2.669 0.976 -2.112 5 HA PRO 2 HA PRO 2 6.168 -1.995 -1.115 6 HB2 PRO 2 2HB PRO 2 6.957 -1.581 -3.679 7 HB3 PRO 2 3HB PRO 2 6.063 -3.018 -3.170 8 HG2 PRO 2 2HG PRO 2 5.055 -0.533 -4.501 9 HG3 PRO 2 3HG PRO 2 4.643 -2.225 -4.833 10 HD2 PRO 2 2HD PRO 2 3.047 -0.596 -3.373 11 HD3 PRO 2 3HD PRO 2 3.163 -2.341 -3.070 12 H ARG 3 H ARG 3 5.029 0.982 -2.595 13 HA ARG 3 HA ARG 3 7.608 2.280 -2.238 14 HB2 ARG 3 2HB ARG 3 4.992 3.364 -3.298 15 HB3 ARG 3 3HB ARG 3 6.526 4.223 -3.298 16 HG2 ARG 3 2HG ARG 3 7.187 1.915 -4.584 17 HG3 ARG 3 3HG ARG 3 5.521 2.163 -5.110 18 HD2 ARG 3 2HD ARG 3 7.826 4.087 -5.363 19 HD3 ARG 3 3HD ARG 3 6.984 3.252 -6.667 20 HE ARG 3 HE ARG 3 5.017 4.669 -5.464 21 HH11 ARG 3 1HH1 ARG 3 8.155 5.509 -6.718 22 HH12 ARG 3 2HH1 ARG 3 7.696 7.125 -7.143 23 HH21 ARG 3 1HH2 ARG 3 4.402 6.794 -6.020 24 HH22 ARG 3 2HH2 ARG 3 5.561 7.855 -6.745 25 H ILE 4 H ILE 4 5.020 1.597 -0.314 26 HA ILE 4 HA ILE 4 5.161 4.103 1.200 27 HB ILE 4 HB ILE 4 3.267 1.763 1.437 28 HG12 ILE 4 2HG1 ILE 4 2.917 3.225 -0.526 29 HG13 ILE 4 3HG1 ILE 4 1.588 3.333 0.622 30 HG21 ILE 4 1HG2 ILE 4 3.569 2.629 3.631 31 HG22 ILE 4 2HG2 ILE 4 3.475 4.293 3.054 32 HG23 ILE 4 3HG2 ILE 4 2.040 3.268 3.028 33 HD11 ILE 4 3HD1 ILE 4 2.557 5.420 1.496 34 HD12 ILE 4 1HD1 ILE 4 3.816 5.321 0.265 35 HD13 ILE 4 2HD1 ILE 4 2.130 5.520 -0.212 36 H ALA 5 H ALA 5 6.089 0.768 1.315 37 HA ALA 5 HA ALA 5 6.646 0.774 4.152 38 HB1 ALA 5 1HB ALA 5 6.694 -1.205 1.973 39 HB2 ALA 5 2HB ALA 5 7.883 -1.448 3.253 40 HB3 ALA 5 3HB ALA 5 6.166 -1.368 3.649 41 H ALA 6 H ALA 6 8.383 1.267 1.161 42 HA ALA 6 HA ALA 6 11.008 0.920 2.030 43 HB1 ALA 6 1HB ALA 6 9.712 1.915 -0.278 44 HB2 ALA 6 2HB ALA 6 10.922 3.104 0.205 45 HB3 ALA 6 3HB ALA 6 11.399 1.432 -0.091 46 H ARG 7 H ARG 7 8.743 3.446 2.699 47 HA ARG 7 HA ARG 7 10.828 5.218 3.725 48 HB2 ARG 7 2HB ARG 7 8.318 5.648 2.527 49 HB3 ARG 7 3HB ARG 7 8.146 6.159 4.201 50 HG2 ARG 7 2HG ARG 7 10.267 7.509 3.849 51 HG3 ARG 7 3HG ARG 7 10.052 7.189 2.127 52 HD2 ARG 7 2HD ARG 7 7.554 8.040 3.080 53 HD3 ARG 7 3HD ARG 7 8.744 9.122 3.801 54 HE ARG 7 HE ARG 7 9.274 8.803 1.048 55 HH11 ARG 7 1HH1 ARG 7 7.026 10.323 3.229 56 HH12 ARG 7 2HH1 ARG 7 6.630 11.606 2.134 57 HH21 ARG 7 1HH2 ARG 7 8.760 10.487 -0.402 58 HH22 ARG 7 2HH2 ARG 7 7.616 11.697 0.069 59 H GLY 8 H GLY 8 8.426 2.972 4.799 60 HA2 GLY 8 2HA GLY 8 8.148 3.914 7.465 61 HA3 GLY 8 3HA GLY 8 7.744 2.304 6.891 62 H ARG 9 H ARG 9 10.473 1.830 5.890 63 HA ARG 9 HA ARG 9 11.598 0.909 8.391 64 HB2 ARG 9 2HB ARG 9 11.534 -0.514 6.341 65 HB3 ARG 9 3HB ARG 9 12.679 0.588 5.588 66 HG2 ARG 9 2HG ARG 9 14.111 0.061 7.719 67 HG3 ARG 9 3HG ARG 9 13.100 -1.385 7.772 68 HD2 ARG 9 2HD ARG 9 13.889 -1.111 5.102 69 HD3 ARG 9 3HD ARG 9 15.330 -0.768 6.058 70 HE ARG 9 HE ARG 9 14.397 -3.021 7.196 71 HH11 ARG 9 1HH1 ARG 9 15.025 -2.139 3.887 72 HH12 ARG 9 2HH1 ARG 9 15.413 -3.753 3.393 73 HH21 ARG 9 1HH2 ARG 9 14.906 -5.151 6.558 74 HH22 ARG 9 2HH2 ARG 9 15.344 -5.466 4.913 75 H ALA 10 H ALA 10 12.243 3.358 5.984 76 HA ALA 10 HA ALA 10 14.892 3.982 6.640 77 HB1 ALA 10 1HB ALA 10 14.661 5.809 5.281 78 HB2 ALA 10 2HB ALA 10 13.310 4.825 4.716 79 HB3 ALA 10 3HB ALA 10 13.023 6.155 5.838 80 H ARG 11 H ARG 11 11.851 4.927 8.117 81 HA ARG 11 HA ARG 11 12.629 7.072 9.667 82 HB2 ARG 11 2HB ARG 11 10.309 6.095 9.446 83 HB3 ARG 11 3HB ARG 11 10.790 4.876 10.620 84 HG2 ARG 11 2HG ARG 11 11.211 6.629 12.270 85 HG3 ARG 11 3HG ARG 11 10.723 7.850 11.092 86 HD2 ARG 11 2HD ARG 11 8.648 5.974 11.137 87 HD3 ARG 11 3HD ARG 11 9.100 6.219 12.824 88 HE ARG 11 HE ARG 11 8.258 8.350 12.710 89 HH11 ARG 11 1HH1 ARG 11 8.577 7.058 9.493 90 HH12 ARG 11 2HH1 ARG 11 7.721 8.365 8.743 91 HH21 ARG 11 1HH2 ARG 11 7.131 10.076 11.734 92 HH22 ARG 11 2HH2 ARG 11 6.900 10.081 10.019 93 H LEU 12 H LEU 12 12.310 3.793 11.023 94 HA LEU 12 HA LEU 12 13.767 4.243 13.330 95 HB2 LEU 12 2HB LEU 12 13.665 1.643 11.812 96 HB3 LEU 12 3HB LEU 12 13.964 1.855 13.536 97 HG LEU 12 HG LEU 12 11.361 2.478 12.143 98 HD11 LEU 12 1HD1 LEU 12 10.614 0.406 12.601 99 HD12 LEU 12 2HD1 LEU 12 11.534 0.288 14.101 100 HD13 LEU 12 3HD1 LEU 12 12.328 -0.006 12.554 101 HD21 LEU 12 3HD2 LEU 12 11.730 2.155 15.089 102 HD22 LEU 12 1HD2 LEU 12 10.479 3.026 14.201 103 HD23 LEU 12 2HD2 LEU 12 12.106 3.698 14.320 104 H ARG 13 H ARG 13 14.887 3.376 10.116 105 HA ARG 13 HA ARG 13 17.515 2.658 10.716 106 HB2 ARG 13 2HB ARG 13 16.139 2.677 8.455 107 HB3 ARG 13 3HB ARG 13 16.945 4.225 8.240 108 HG2 ARG 13 2HG ARG 13 18.333 1.597 8.725 109 HG3 ARG 13 3HG ARG 13 18.145 2.385 7.157 110 HD2 ARG 13 2HD ARG 13 19.245 4.409 8.481 111 HD3 ARG 13 3HD ARG 13 19.899 3.086 9.447 112 HE ARG 13 HE ARG 13 20.721 3.854 6.840 113 HH11 ARG 13 1HH1 ARG 13 20.266 1.082 8.895 114 HH12 ARG 13 2HH1 ARG 13 21.463 0.124 8.088 115 HH21 ARG 13 1HH2 ARG 13 22.299 2.603 5.769 116 HH22 ARG 13 2HH2 ARG 13 22.619 0.990 6.311 117 H ALA 14 H ALA 14 16.360 5.836 9.570 118 HA ALA 14 HA ALA 14 18.765 7.205 9.950 119 HB1 ALA 14 1HB ALA 14 16.116 8.558 10.284 120 HB2 ALA 14 2HB ALA 14 17.588 9.158 9.519 121 HB3 ALA 14 3HB ALA 14 16.615 7.926 8.715 122 H VAL 15 H VAL 15 16.044 6.681 12.147 123 HA VAL 15 HA VAL 15 16.929 8.367 14.223 124 HB VAL 15 HB VAL 15 15.238 5.873 14.448 125 HG11 VAL 15 1HG1 VAL 15 14.337 7.162 16.461 126 HG12 VAL 15 2HG1 VAL 15 15.927 6.415 16.623 127 HG13 VAL 15 3HG1 VAL 15 15.792 8.149 16.327 128 HG21 VAL 15 3HG2 VAL 15 14.696 8.267 13.100 129 HG22 VAL 15 1HG2 VAL 15 13.554 6.993 13.527 130 HG23 VAL 15 2HG2 VAL 15 13.800 8.357 14.617 131 H GLY 16 H GLY 16 17.792 5.116 13.300 132 HA2 GLY 16 2HA GLY 16 19.217 4.643 15.800 133 HA3 GLY 16 3HA GLY 16 19.037 3.506 14.472 134 H ALA 17 H ALA 17 19.881 5.690 12.566 135 HA ALA 17 HA ALA 17 22.580 4.994 12.343 136 HB1 ALA 17 1HB ALA 17 22.709 6.530 10.566 137 HB2 ALA 17 2HB ALA 17 21.045 5.942 10.553 138 HB3 ALA 17 3HB ALA 17 21.415 7.529 11.228 139 H ILE 18 H ILE 18 21.283 8.209 13.204 140 HA ILE 18 HA ILE 18 23.712 9.298 14.045 141 HB ILE 18 HB ILE 18 22.273 10.905 15.374 142 HG12 ILE 18 2HG1 ILE 18 19.897 9.797 13.960 143 HG13 ILE 18 3HG1 ILE 18 20.426 8.978 15.426 144 HG21 ILE 18 1HG2 ILE 18 22.187 12.120 13.510 145 HG22 ILE 18 2HG2 ILE 18 22.754 10.684 12.659 146 HG23 ILE 18 3HG2 ILE 18 21.026 11.025 12.761 147 HD11 ILE 18 3HD1 ILE 18 20.369 11.300 16.504 148 HD12 ILE 18 1HD1 ILE 18 19.419 11.774 15.096 149 HD13 ILE 18 2HD1 ILE 18 18.836 10.497 16.165 Start of MODEL 18 1 H1 ASP 1 H ASP 1 1.170 0.544 0.578 2 HA ASP 1 HA ASP 1 1.324 -1.179 -1.808 3 HB2 ASP 1 2HB ASP 1 1.209 1.777 -1.562 4 HB3 ASP 1 3HB ASP 1 2.318 1.126 -2.766 5 HA PRO 2 HA PRO 2 5.604 -1.756 -1.048 6 HB2 PRO 2 2HB PRO 2 6.661 -1.687 -3.548 7 HB3 PRO 2 3HB PRO 2 5.676 -3.031 -2.958 8 HG2 PRO 2 2HG PRO 2 4.885 -0.720 -4.688 9 HG3 PRO 2 3HG PRO 2 4.457 -2.434 -4.846 10 HD2 PRO 2 2HD PRO 2 2.772 -0.604 -3.777 11 HD3 PRO 2 3HD PRO 2 2.803 -2.298 -3.246 12 H ARG 3 H ARG 3 4.604 1.086 -2.788 13 HA ARG 3 HA ARG 3 7.209 2.356 -2.524 14 HB2 ARG 3 2HB ARG 3 4.609 3.417 -3.645 15 HB3 ARG 3 3HB ARG 3 6.159 4.245 -3.706 16 HG2 ARG 3 2HG ARG 3 6.276 1.557 -4.806 17 HG3 ARG 3 3HG ARG 3 5.123 2.599 -5.643 18 HD2 ARG 3 2HD ARG 3 7.230 2.840 -6.730 19 HD3 ARG 3 3HD ARG 3 6.932 4.318 -5.816 20 HE ARG 3 HE ARG 3 8.408 2.593 -4.196 21 HH11 ARG 3 1HH1 ARG 3 8.783 4.382 -7.159 22 HH12 ARG 3 2HH1 ARG 3 10.494 4.583 -6.974 23 HH21 ARG 3 1HH2 ARG 3 10.660 2.851 -3.941 24 HH22 ARG 3 2HH2 ARG 3 11.561 3.711 -5.143 25 H ILE 4 H ILE 4 4.617 1.849 -0.552 26 HA ILE 4 HA ILE 4 4.810 4.446 0.794 27 HB ILE 4 HB ILE 4 2.874 2.163 1.189 28 HG12 ILE 4 2HG1 ILE 4 2.451 4.965 0.128 29 HG13 ILE 4 3HG1 ILE 4 2.566 3.518 -0.868 30 HG21 ILE 4 1HG2 ILE 4 3.126 4.793 2.634 31 HG22 ILE 4 2HG2 ILE 4 1.682 3.784 2.684 32 HG23 ILE 4 3HG2 ILE 4 3.207 3.171 3.321 33 HD11 ILE 4 3HD1 ILE 4 0.578 2.625 0.334 34 HD12 ILE 4 1HD1 ILE 4 0.427 4.190 1.133 35 HD13 ILE 4 2HD1 ILE 4 0.268 4.075 -0.620 36 H ALA 5 H ALA 5 5.676 1.109 1.125 37 HA ALA 5 HA ALA 5 6.245 1.291 3.954 38 HB1 ALA 5 1HB ALA 5 7.416 -1.009 3.263 39 HB2 ALA 5 2HB ALA 5 5.680 -0.864 3.545 40 HB3 ALA 5 3HB ALA 5 6.311 -0.834 1.899 41 H ALA 6 H ALA 6 7.977 1.560 0.933 42 HA ALA 6 HA ALA 6 10.599 1.218 1.814 43 HB1 ALA 6 1HB ALA 6 10.991 1.584 -0.336 44 HB2 ALA 6 2HB ALA 6 9.314 2.084 -0.550 45 HB3 ALA 6 3HB ALA 6 10.546 3.280 -0.148 46 H ARG 7 H ARG 7 8.385 3.824 2.324 47 HA ARG 7 HA ARG 7 10.507 5.619 3.227 48 HB2 ARG 7 2HB ARG 7 7.976 6.008 2.032 49 HB3 ARG 7 3HB ARG 7 7.868 6.666 3.659 50 HG2 ARG 7 2HG ARG 7 10.128 7.812 3.035 51 HG3 ARG 7 3HG ARG 7 9.588 7.516 1.381 52 HD2 ARG 7 2HD ARG 7 7.352 8.543 2.666 53 HD3 ARG 7 3HD ARG 7 8.694 9.494 3.300 54 HE ARG 7 HE ARG 7 7.592 9.638 0.683 55 HH11 ARG 7 1HH1 ARG 7 10.574 9.901 2.461 56 HH12 ARG 7 2HH1 ARG 7 11.319 10.961 1.310 57 HH21 ARG 7 1HH2 ARG 7 8.561 11.033 -0.839 58 HH22 ARG 7 2HH2 ARG 7 10.172 11.605 -0.566 59 H GLY 8 H GLY 8 8.065 3.496 4.451 60 HA2 GLY 8 2HA GLY 8 7.817 4.615 7.052 61 HA3 GLY 8 3HA GLY 8 7.377 2.979 6.583 62 H ARG 9 H ARG 9 10.088 2.377 5.610 63 HA ARG 9 HA ARG 9 11.183 1.512 8.122 64 HB2 ARG 9 2HB ARG 9 11.242 0.070 6.129 65 HB3 ARG 9 3HB ARG 9 12.278 1.237 5.318 66 HG2 ARG 9 2HG ARG 9 14.091 0.356 6.235 67 HG3 ARG 9 3HG ARG 9 13.404 0.499 7.855 68 HD2 ARG 9 2HD ARG 9 12.124 -1.600 7.408 69 HD3 ARG 9 3HD ARG 9 13.020 -1.760 5.898 70 HE ARG 9 HE ARG 9 14.811 -2.521 7.093 71 HH11 ARG 9 1HH1 ARG 9 12.624 -0.892 9.257 72 HH12 ARG 9 2HH1 ARG 9 13.495 -1.342 10.686 73 HH21 ARG 9 1HH2 ARG 9 15.966 -3.120 8.966 74 HH22 ARG 9 2HH2 ARG 9 15.396 -2.609 10.519 75 H ALA 10 H ALA 10 11.782 4.076 5.860 76 HA ALA 10 HA ALA 10 14.409 4.749 6.400 77 HB1 ALA 10 1HB ALA 10 13.998 6.690 5.294 78 HB2 ALA 10 2HB ALA 10 12.546 5.806 4.823 79 HB3 ALA 10 3HB ALA 10 12.476 6.980 6.137 80 H ARG 11 H ARG 11 11.536 5.288 8.324 81 HA ARG 11 HA ARG 11 12.377 7.247 10.074 82 HB2 ARG 11 2HB ARG 11 10.107 6.142 9.979 83 HB3 ARG 11 3HB ARG 11 10.797 4.811 10.897 84 HG2 ARG 11 2HG ARG 11 11.320 6.343 12.728 85 HG3 ARG 11 3HG ARG 11 10.622 7.676 11.806 86 HD2 ARG 11 2HD ARG 11 9.062 5.198 12.485 87 HD3 ARG 11 3HD ARG 11 9.147 6.584 13.572 88 HE ARG 11 HE ARG 11 8.377 7.385 10.962 89 HH11 ARG 11 1HH1 ARG 11 7.183 5.836 13.842 90 HH12 ARG 11 2HH1 ARG 11 5.537 6.302 13.567 91 HH21 ARG 11 1HH2 ARG 11 6.214 8.005 10.589 92 HH22 ARG 11 2HH2 ARG 11 4.987 7.535 11.716 93 H LEU 12 H LEU 12 12.414 3.796 10.960 94 HA LEU 12 HA LEU 12 14.164 4.068 13.108 95 HB2 LEU 12 2HB LEU 12 13.951 1.621 11.370 96 HB3 LEU 12 3HB LEU 12 14.384 1.698 13.077 97 HG LEU 12 HG LEU 12 11.661 2.184 11.873 98 HD11 LEU 12 1HD1 LEU 12 11.863 -0.101 11.971 99 HD12 LEU 12 2HD1 LEU 12 11.218 0.250 13.574 100 HD13 LEU 12 3HD1 LEU 12 12.942 -0.057 13.365 101 HD21 LEU 12 3HD2 LEU 12 11.817 3.708 13.660 102 HD22 LEU 12 1HD2 LEU 12 12.695 2.559 14.670 103 HD23 LEU 12 2HD2 LEU 12 10.987 2.298 14.318 104 H ARG 13 H ARG 13 14.795 3.834 9.698 105 HA ARG 13 HA ARG 13 17.457 3.001 9.717 106 HB2 ARG 13 2HB ARG 13 15.764 3.529 7.753 107 HB3 ARG 13 3HB ARG 13 16.581 5.087 7.770 108 HG2 ARG 13 2HG ARG 13 17.935 2.417 7.439 109 HG3 ARG 13 3HG ARG 13 17.544 3.539 6.134 110 HD2 ARG 13 2HD ARG 13 18.896 5.176 7.803 111 HD3 ARG 13 3HD ARG 13 19.691 3.641 8.149 112 HE ARG 13 HE ARG 13 19.973 5.214 5.796 113 HH11 ARG 13 1HH1 ARG 13 19.917 1.934 6.962 114 HH12 ARG 13 2HH1 ARG 13 20.908 1.323 5.678 115 HH21 ARG 13 1HH2 ARG 13 21.278 4.422 4.101 116 HH22 ARG 13 2HH2 ARG 13 21.682 2.740 4.052 117 H ALA 14 H ALA 14 16.211 6.342 9.594 118 HA ALA 14 HA ALA 14 18.663 7.644 9.815 119 HB1 ALA 14 1HB ALA 14 16.857 8.976 9.179 120 HB2 ALA 14 2HB ALA 14 15.868 8.451 10.542 121 HB3 ALA 14 3HB ALA 14 17.237 9.530 10.810 122 H VAL 15 H VAL 15 16.542 6.335 12.300 123 HA VAL 15 HA VAL 15 17.875 7.495 14.519 124 HB VAL 15 HB VAL 15 16.210 4.975 14.430 125 HG11 VAL 15 1HG1 VAL 15 17.243 4.850 16.481 126 HG12 VAL 15 2HG1 VAL 15 17.363 6.603 16.649 127 HG13 VAL 15 3HG1 VAL 15 15.810 5.797 16.881 128 HG21 VAL 15 3HG2 VAL 15 15.528 7.828 14.346 129 HG22 VAL 15 1HG2 VAL 15 14.589 6.419 13.853 130 HG23 VAL 15 2HG2 VAL 15 14.643 6.893 15.551 131 H GLY 16 H GLY 16 18.157 4.355 12.893 132 HA2 GLY 16 2HA GLY 16 20.030 3.225 14.676 133 HA3 GLY 16 3HA GLY 16 19.763 2.718 13.015 134 H ALA 17 H ALA 17 20.388 5.539 12.127 135 HA ALA 17 HA ALA 17 23.154 5.114 11.618 136 HB1 ALA 17 1HB ALA 17 22.322 7.831 11.128 137 HB2 ALA 17 2HB ALA 17 22.803 6.578 9.984 138 HB3 ALA 17 3HB ALA 17 21.127 6.683 10.524 139 H ILE 18 H ILE 18 21.582 7.887 13.226 140 HA ILE 18 HA ILE 18 23.913 8.927 14.358 141 HB ILE 18 HB ILE 18 22.345 10.049 16.002 142 HG12 ILE 18 2HG1 ILE 18 20.074 9.124 14.310 143 HG13 ILE 18 3HG1 ILE 18 20.660 8.031 15.559 144 HG21 ILE 18 1HG2 ILE 18 22.532 11.581 14.400 145 HG22 ILE 18 2HG2 ILE 18 22.562 10.350 13.138 146 HG23 ILE 18 3HG2 ILE 18 21.020 10.962 13.737 147 HD11 ILE 18 3HD1 ILE 18 19.511 9.137 17.082 148 HD12 ILE 18 1HD1 ILE 18 20.372 10.624 16.686 149 HD13 ILE 18 2HD1 ILE 18 18.891 10.206 15.823 Start of MODEL 19 1 H1 ASP 1 H ASP 1 1.145 -1.697 1.018 2 HA ASP 1 HA ASP 1 1.593 -1.686 -1.235 3 HB2 ASP 1 2HB ASP 1 1.319 1.181 -0.674 4 HB3 ASP 1 3HB ASP 1 2.427 0.821 -1.995 5 HA PRO 2 HA PRO 2 5.948 -2.192 -1.308 6 HB2 PRO 2 2HB PRO 2 6.537 -1.852 -3.936 7 HB3 PRO 2 3HB PRO 2 5.695 -3.277 -3.317 8 HG2 PRO 2 2HG PRO 2 4.571 -0.839 -4.641 9 HG3 PRO 2 3HG PRO 2 4.148 -2.543 -4.890 10 HD2 PRO 2 2HD PRO 2 2.654 -0.879 -3.363 11 HD3 PRO 2 3HD PRO 2 2.806 -2.614 -3.017 12 H ARG 3 H ARG 3 4.721 0.709 -2.901 13 HA ARG 3 HA ARG 3 7.301 2.035 -2.679 14 HB2 ARG 3 2HB ARG 3 4.658 3.043 -3.747 15 HB3 ARG 3 3HB ARG 3 6.188 3.906 -3.832 16 HG2 ARG 3 2HG ARG 3 6.436 1.258 -4.943 17 HG3 ARG 3 3HG ARG 3 5.131 2.159 -5.718 18 HD2 ARG 3 2HD ARG 3 7.399 2.416 -6.775 19 HD3 ARG 3 3HD ARG 3 6.593 3.921 -6.332 20 HE ARG 3 HE ARG 3 8.279 3.048 -4.235 21 HH11 ARG 3 1HH1 ARG 3 8.366 4.491 -7.402 22 HH12 ARG 3 2HH1 ARG 3 9.862 5.320 -7.126 23 HH21 ARG 3 1HH2 ARG 3 10.249 4.135 -3.859 24 HH22 ARG 3 2HH2 ARG 3 10.933 5.116 -5.111 25 H ILE 4 H ILE 4 4.757 1.462 -0.662 26 HA ILE 4 HA ILE 4 4.918 4.056 0.693 27 HB ILE 4 HB ILE 4 3.040 1.730 1.111 28 HG12 ILE 4 2HG1 ILE 4 2.635 3.061 -0.928 29 HG13 ILE 4 3HG1 ILE 4 1.337 3.251 0.245 30 HG21 ILE 4 1HG2 ILE 4 1.844 3.502 2.564 31 HG22 ILE 4 2HG2 ILE 4 3.218 2.630 3.241 32 HG23 ILE 4 3HG2 ILE 4 3.428 4.274 2.638 33 HD11 ILE 4 3HD1 ILE 4 2.350 5.386 0.956 34 HD12 ILE 4 1HD1 ILE 4 3.556 5.201 -0.317 35 HD13 ILE 4 2HD1 ILE 4 1.851 5.377 -0.735 36 H ALA 5 H ALA 5 5.862 0.737 0.991 37 HA ALA 5 HA ALA 5 6.478 0.919 3.810 38 HB1 ALA 5 1HB ALA 5 7.190 -1.348 3.650 39 HB2 ALA 5 2HB ALA 5 5.717 -1.189 2.691 40 HB3 ALA 5 3HB ALA 5 7.287 -1.256 1.891 41 H ALA 6 H ALA 6 8.150 1.237 0.759 42 HA ALA 6 HA ALA 6 10.794 0.951 1.594 43 HB1 ALA 6 1HB ALA 6 11.140 1.328 -0.562 44 HB2 ALA 6 2HB ALA 6 9.448 1.795 -0.745 45 HB3 ALA 6 3HB ALA 6 10.663 3.015 -0.362 46 H ARG 7 H ARG 7 8.532 3.506 2.148 47 HA ARG 7 HA ARG 7 10.630 5.344 3.021 48 HB2 ARG 7 2HB ARG 7 8.090 5.690 1.850 49 HB3 ARG 7 3HB ARG 7 7.959 6.315 3.489 50 HG2 ARG 7 2HG ARG 7 10.320 7.398 2.686 51 HG3 ARG 7 3HG ARG 7 9.405 7.374 1.178 52 HD2 ARG 7 2HD ARG 7 7.568 8.279 3.022 53 HD3 ARG 7 3HD ARG 7 9.071 9.038 3.544 54 HE ARG 7 HE ARG 7 8.665 9.305 0.736 55 HH11 ARG 7 1HH1 ARG 7 7.732 10.591 3.833 56 HH12 ARG 7 2HH1 ARG 7 7.344 12.161 3.211 57 HH21 ARG 7 1HH2 ARG 7 8.157 11.367 -0.096 58 HH22 ARG 7 2HH2 ARG 7 7.585 12.601 0.976 59 H GLY 8 H GLY 8 8.253 3.168 4.279 60 HA2 GLY 8 2HA GLY 8 8.026 4.276 6.886 61 HA3 GLY 8 3HA GLY 8 7.611 2.633 6.421 62 H ARG 9 H ARG 9 10.321 2.095 5.399 63 HA ARG 9 HA ARG 9 11.479 1.274 7.906 64 HB2 ARG 9 2HB ARG 9 11.452 -0.157 5.848 65 HB3 ARG 9 3HB ARG 9 12.607 0.953 5.122 66 HG2 ARG 9 2HG ARG 9 14.336 0.176 6.348 67 HG3 ARG 9 3HG ARG 9 13.332 -0.141 7.764 68 HD2 ARG 9 2HD ARG 9 13.107 -1.799 5.272 69 HD3 ARG 9 3HD ARG 9 14.319 -2.149 6.504 70 HE ARG 9 HE ARG 9 11.539 -2.737 6.633 71 HH11 ARG 9 1HH1 ARG 9 14.279 -1.813 8.572 72 HH12 ARG 9 2HH1 ARG 9 13.653 -2.518 10.026 73 HH21 ARG 9 1HH2 ARG 9 10.705 -3.669 8.540 74 HH22 ARG 9 2HH2 ARG 9 11.621 -3.575 10.006 75 H ALA 10 H ALA 10 12.062 3.725 5.491 76 HA ALA 10 HA ALA 10 14.681 4.436 5.992 77 HB1 ALA 10 1HB ALA 10 12.452 5.580 4.663 78 HB2 ALA 10 2HB ALA 10 13.197 6.833 5.657 79 HB3 ALA 10 3HB ALA 10 14.164 5.960 4.468 80 H ARG 11 H ARG 11 11.770 5.314 7.792 81 HA ARG 11 HA ARG 11 12.771 7.255 9.477 82 HB2 ARG 11 2HB ARG 11 10.387 6.431 9.324 83 HB3 ARG 11 3HB ARG 11 10.865 5.081 10.345 84 HG2 ARG 11 2HG ARG 11 11.494 6.643 12.118 85 HG3 ARG 11 3HG ARG 11 11.008 7.995 11.092 86 HD2 ARG 11 2HD ARG 11 8.813 6.300 11.074 87 HD3 ARG 11 3HD ARG 11 9.394 6.235 12.737 88 HE ARG 11 HE ARG 11 8.060 8.407 11.488 89 HH11 ARG 11 1HH1 ARG 11 10.540 7.647 13.810 90 HH12 ARG 11 2HH1 ARG 11 10.339 9.119 14.702 91 HH21 ARG 11 1HH2 ARG 11 7.786 10.349 12.654 92 HH22 ARG 11 2HH2 ARG 11 8.772 10.654 14.044 93 H LEU 12 H LEU 12 12.339 3.883 10.544 94 HA LEU 12 HA LEU 12 13.969 4.036 12.776 95 HB2 LEU 12 2HB LEU 12 13.454 1.645 11.014 96 HB3 LEU 12 3HB LEU 12 14.110 1.583 12.649 97 HG LEU 12 HG LEU 12 11.391 2.721 12.048 98 HD11 LEU 12 1HD1 LEU 12 11.030 0.579 11.306 99 HD12 LEU 12 2HD1 LEU 12 10.701 0.398 13.029 100 HD13 LEU 12 3HD1 LEU 12 12.254 -0.115 12.369 101 HD21 LEU 12 3HD2 LEU 12 12.103 3.390 14.177 102 HD22 LEU 12 1HD2 LEU 12 12.853 1.829 14.514 103 HD23 LEU 12 2HD2 LEU 12 11.096 1.972 14.473 104 H ARG 13 H ARG 13 14.816 3.526 9.424 105 HA ARG 13 HA ARG 13 17.403 2.525 9.716 106 HB2 ARG 13 2HB ARG 13 15.897 2.992 7.590 107 HB3 ARG 13 3HB ARG 13 16.820 4.488 7.544 108 HG2 ARG 13 2HG ARG 13 18.000 1.717 7.536 109 HG3 ARG 13 3HG ARG 13 17.785 2.746 6.118 110 HD2 ARG 13 2HD ARG 13 19.549 3.257 8.506 111 HD3 ARG 13 3HD ARG 13 20.057 2.936 6.848 112 HE ARG 13 HE ARG 13 18.476 5.193 6.739 113 HH11 ARG 13 1HH1 ARG 13 21.436 4.234 8.300 114 HH12 ARG 13 2HH1 ARG 13 22.103 5.833 8.307 115 HH21 ARG 13 1HH2 ARG 13 19.343 7.302 6.742 116 HH22 ARG 13 2HH2 ARG 13 20.911 7.578 7.421 117 H ALA 14 H ALA 14 16.361 5.912 9.331 118 HA ALA 14 HA ALA 14 18.907 7.058 9.621 119 HB1 ALA 14 1HB ALA 14 17.621 8.725 8.883 120 HB2 ALA 14 2HB ALA 14 16.153 7.993 9.531 121 HB3 ALA 14 3HB ALA 14 17.182 8.976 10.573 122 H VAL 15 H VAL 15 16.380 6.349 12.001 123 HA VAL 15 HA VAL 15 17.580 7.556 14.223 124 HB VAL 15 HB VAL 15 15.800 5.116 14.163 125 HG11 VAL 15 1HG1 VAL 15 15.232 5.882 16.499 126 HG12 VAL 15 2HG1 VAL 15 16.843 5.192 16.291 127 HG13 VAL 15 3HG1 VAL 15 16.638 6.941 16.405 128 HG21 VAL 15 3HG2 VAL 15 14.371 6.642 13.303 129 HG22 VAL 15 1HG2 VAL 15 14.220 7.130 14.991 130 HG23 VAL 15 2HG2 VAL 15 15.299 8.013 13.910 131 H GLY 16 H GLY 16 18.127 4.449 12.700 132 HA2 GLY 16 2HA GLY 16 19.665 3.343 14.845 133 HA3 GLY 16 3HA GLY 16 19.571 2.723 13.204 134 H ALA 17 H ALA 17 20.378 5.439 12.178 135 HA ALA 17 HA ALA 17 23.176 4.925 12.055 136 HB1 ALA 17 1HB ALA 17 22.477 7.591 11.208 137 HB2 ALA 17 2HB ALA 17 23.065 6.226 10.257 138 HB3 ALA 17 3HB ALA 17 21.338 6.404 10.570 139 H ILE 18 H ILE 18 21.359 7.713 13.352 140 HA ILE 18 HA ILE 18 23.533 8.984 14.558 141 HB ILE 18 HB ILE 18 21.790 10.047 16.059 142 HG12 ILE 18 2HG1 ILE 18 19.642 8.999 14.326 143 HG13 ILE 18 3HG1 ILE 18 20.300 7.845 15.481 144 HG21 ILE 18 1HG2 ILE 18 21.338 10.109 13.078 145 HG22 ILE 18 2HG2 ILE 18 20.783 11.328 14.224 146 HG23 ILE 18 3HG2 ILE 18 22.510 11.072 13.977 147 HD11 ILE 18 3HD1 ILE 18 19.910 10.180 16.941 148 HD12 ILE 18 1HD1 ILE 18 18.491 10.037 15.905 149 HD13 ILE 18 2HD1 ILE 18 18.931 8.714 16.984 Start of MODEL 20 1 H1 ASP 1 H ASP 1 2.451 -0.690 1.776 2 HA ASP 1 HA ASP 1 1.664 -1.377 -0.871 3 HB2 ASP 1 2HB ASP 1 1.277 1.365 -0.036 4 HB3 ASP 1 3HB ASP 1 2.458 1.272 -1.341 5 HA PRO 2 HA PRO 2 5.997 -1.811 -1.393 6 HB2 PRO 2 2HB PRO 2 6.335 -1.228 -4.023 7 HB3 PRO 2 3HB PRO 2 5.563 -2.715 -3.460 8 HG2 PRO 2 2HG PRO 2 4.304 -0.185 -4.448 9 HG3 PRO 2 3HG PRO 2 3.870 -1.866 -4.810 10 HD2 PRO 2 2HD PRO 2 2.516 -0.368 -3.006 11 HD3 PRO 2 3HD PRO 2 2.711 -2.124 -2.835 12 H ARG 3 H ARG 3 4.669 1.177 -2.773 13 HA ARG 3 HA ARG 3 7.242 2.513 -2.519 14 HB2 ARG 3 2HB ARG 3 4.579 3.546 -3.513 15 HB3 ARG 3 3HB ARG 3 6.101 4.424 -3.577 16 HG2 ARG 3 2HG ARG 3 5.507 1.837 -5.000 17 HG3 ARG 3 3HG ARG 3 5.531 3.442 -5.734 18 HD2 ARG 3 2HD ARG 3 7.852 1.992 -4.470 19 HD3 ARG 3 3HD ARG 3 7.615 2.312 -6.187 20 HE ARG 3 HE ARG 3 7.601 4.751 -4.808 21 HH11 ARG 3 1HH1 ARG 3 9.789 2.178 -5.652 22 HH12 ARG 3 2HH1 ARG 3 11.189 3.199 -5.669 23 HH21 ARG 3 1HH2 ARG 3 9.436 6.105 -4.827 24 HH22 ARG 3 2HH2 ARG 3 10.987 5.432 -5.199 25 H ILE 4 H ILE 4 4.724 1.830 -0.503 26 HA ILE 4 HA ILE 4 4.879 4.363 0.964 27 HB ILE 4 HB ILE 4 3.023 2.006 1.298 28 HG12 ILE 4 2HG1 ILE 4 2.593 3.428 -0.677 29 HG13 ILE 4 3HG1 ILE 4 1.300 3.543 0.512 30 HG21 ILE 4 1HG2 ILE 4 1.852 3.826 2.801 31 HG22 ILE 4 2HG2 ILE 4 3.096 2.761 3.453 32 HG23 ILE 4 3HG2 ILE 4 3.506 4.409 2.980 33 HD11 ILE 4 3HD1 ILE 4 3.166 5.569 1.112 34 HD12 ILE 4 1HD1 ILE 4 2.873 5.615 -0.626 35 HD13 ILE 4 2HD1 ILE 4 1.521 5.738 0.500 36 H ALA 5 H ALA 5 5.852 1.042 1.105 37 HA ALA 5 HA ALA 5 6.496 1.104 3.923 38 HB1 ALA 5 1HB ALA 5 7.504 -1.145 3.438 39 HB2 ALA 5 2HB ALA 5 5.785 -0.997 3.068 40 HB3 ALA 5 3HB ALA 5 6.975 -0.943 1.767 41 H ALA 6 H ALA 6 8.122 1.607 0.879 42 HA ALA 6 HA ALA 6 10.781 1.291 1.664 43 HB1 ALA 6 1HB ALA 6 11.109 1.795 -0.470 44 HB2 ALA 6 2HB ALA 6 9.405 2.226 -0.616 45 HB3 ALA 6 3HB ALA 6 10.592 3.456 -0.183 46 H ARG 7 H ARG 7 8.507 3.799 2.370 47 HA ARG 7 HA ARG 7 10.601 5.605 3.315 48 HB2 ARG 7 2HB ARG 7 7.973 5.953 2.261 49 HB3 ARG 7 3HB ARG 7 8.003 6.613 3.890 50 HG2 ARG 7 2HG ARG 7 10.194 7.768 3.079 51 HG3 ARG 7 3HG ARG 7 9.528 7.460 1.474 52 HD2 ARG 7 2HD ARG 7 7.517 8.538 3.238 53 HD3 ARG 7 3HD ARG 7 8.931 9.590 3.181 54 HE ARG 7 HE ARG 7 8.454 9.048 0.573 55 HH11 ARG 7 1HH1 ARG 7 6.471 10.233 3.178 56 HH12 ARG 7 2HH1 ARG 7 5.444 11.170 2.143 57 HH21 ARG 7 1HH2 ARG 7 7.110 10.278 -0.799 58 HH22 ARG 7 2HH2 ARG 7 5.808 11.194 -0.118 59 H GLY 8 H GLY 8 8.254 3.349 4.482 60 HA2 GLY 8 2HA GLY 8 8.046 4.324 7.145 61 HA3 GLY 8 3HA GLY 8 7.631 2.706 6.601 62 H ARG 9 H ARG 9 10.299 2.172 5.537 63 HA ARG 9 HA ARG 9 11.503 1.279 7.999 64 HB2 ARG 9 2HB ARG 9 11.422 -0.135 5.954 65 HB3 ARG 9 3HB ARG 9 12.513 0.996 5.165 66 HG2 ARG 9 2HG ARG 9 14.245 -0.101 5.989 67 HG3 ARG 9 3HG ARG 9 13.689 0.245 7.628 68 HD2 ARG 9 2HD ARG 9 12.299 -1.747 7.600 69 HD3 ARG 9 3HD ARG 9 12.774 -2.076 5.934 70 HE ARG 9 HE ARG 9 15.026 -1.902 7.675 71 HH11 ARG 9 1HH1 ARG 9 12.459 -3.999 6.611 72 HH12 ARG 9 2HH1 ARG 9 13.325 -5.456 6.969 73 HH21 ARG 9 1HH2 ARG 9 16.177 -3.813 8.150 74 HH22 ARG 9 2HH2 ARG 9 15.440 -5.349 7.845 75 H ALA 10 H ALA 10 12.034 3.798 5.655 76 HA ALA 10 HA ALA 10 14.685 4.455 6.103 77 HB1 ALA 10 1HB ALA 10 13.746 6.884 5.671 78 HB2 ALA 10 2HB ALA 10 13.796 5.674 4.389 79 HB3 ALA 10 3HB ALA 10 12.287 5.988 5.246 80 H ARG 11 H ARG 11 11.833 5.246 8.014 81 HA ARG 11 HA ARG 11 12.841 7.181 9.703 82 HB2 ARG 11 2HB ARG 11 10.479 6.287 9.623 83 HB3 ARG 11 3HB ARG 11 11.036 4.931 10.594 84 HG2 ARG 11 2HG ARG 11 11.686 6.472 12.376 85 HG3 ARG 11 3HG ARG 11 11.122 7.831 11.401 86 HD2 ARG 11 2HD ARG 11 9.267 5.567 11.989 87 HD3 ARG 11 3HD ARG 11 9.578 6.778 13.232 88 HE ARG 11 HE ARG 11 7.959 7.092 10.914 89 HH11 ARG 11 1HH1 ARG 11 10.111 8.792 13.058 90 HH12 ARG 11 2HH1 ARG 11 9.395 10.341 12.760 91 HH21 ARG 11 1HH2 ARG 11 7.008 9.125 10.513 92 HH22 ARG 11 2HH2 ARG 11 7.629 10.529 11.312 93 H LEU 12 H LEU 12 12.552 3.775 10.708 94 HA LEU 12 HA LEU 12 14.245 3.915 12.886 95 HB2 LEU 12 2HB LEU 12 13.877 1.540 11.068 96 HB3 LEU 12 3HB LEU 12 14.437 1.502 12.738 97 HG LEU 12 HG LEU 12 11.688 2.424 11.912 98 HD11 LEU 12 1HD1 LEU 12 11.317 0.065 13.197 99 HD12 LEU 12 2HD1 LEU 12 12.793 -0.267 12.292 100 HD13 LEU 12 3HD1 LEU 12 11.339 0.258 11.444 101 HD21 LEU 12 3HD2 LEU 12 11.952 1.397 14.577 102 HD22 LEU 12 1HD2 LEU 12 11.417 2.989 14.041 103 HD23 LEU 12 2HD2 LEU 12 13.133 2.679 14.306 104 H ARG 13 H ARG 13 15.021 3.617 9.499 105 HA ARG 13 HA ARG 13 17.649 2.695 9.662 106 HB2 ARG 13 2HB ARG 13 16.070 3.238 7.609 107 HB3 ARG 13 3HB ARG 13 16.938 4.767 7.634 108 HG2 ARG 13 2HG ARG 13 18.214 2.048 7.422 109 HG3 ARG 13 3HG ARG 13 17.924 3.154 6.078 110 HD2 ARG 13 2HD ARG 13 19.259 4.817 7.651 111 HD3 ARG 13 3HD ARG 13 19.914 3.306 8.279 112 HE ARG 13 HE ARG 13 20.539 4.530 5.788 113 HH11 ARG 13 1HH1 ARG 13 20.159 1.446 7.358 114 HH12 ARG 13 2HH1 ARG 13 21.239 0.620 6.284 115 HH21 ARG 13 1HH2 ARG 13 21.962 3.453 4.368 116 HH22 ARG 13 2HH2 ARG 13 22.265 1.763 4.584 117 H ALA 14 H ALA 14 16.502 6.067 9.468 118 HA ALA 14 HA ALA 14 19.085 7.175 9.935 119 HB1 ALA 14 1HB ALA 14 16.397 8.166 9.435 120 HB2 ALA 14 2HB ALA 14 17.290 9.160 10.586 121 HB3 ALA 14 3HB ALA 14 17.959 8.850 8.985 122 H VAL 15 H VAL 15 16.302 6.451 11.975 123 HA VAL 15 HA VAL 15 17.099 7.777 14.301 124 HB VAL 15 HB VAL 15 15.544 5.195 14.078 125 HG11 VAL 15 1HG1 VAL 15 16.133 5.293 16.315 126 HG12 VAL 15 2HG1 VAL 15 16.086 7.057 16.356 127 HG13 VAL 15 3HG1 VAL 15 14.584 6.134 16.295 128 HG21 VAL 15 3HG2 VAL 15 14.007 7.551 14.701 129 HG22 VAL 15 1HG2 VAL 15 14.886 7.759 13.186 130 HG23 VAL 15 2HG2 VAL 15 13.795 6.389 13.392 131 H GLY 16 H GLY 16 18.128 4.729 12.931 132 HA2 GLY 16 2HA GLY 16 19.490 3.865 15.327 133 HA3 GLY 16 3HA GLY 16 19.551 3.089 13.752 134 H ALA 17 H ALA 17 20.269 5.796 12.572 135 HA ALA 17 HA ALA 17 23.088 5.422 12.622 136 HB1 ALA 17 1HB ALA 17 21.196 6.926 11.091 137 HB2 ALA 17 2HB ALA 17 22.535 7.970 11.568 138 HB3 ALA 17 3HB ALA 17 22.853 6.477 10.685 139 H ILE 18 H ILE 18 21.067 8.158 13.709 140 HA ILE 18 HA ILE 18 23.110 9.607 14.942 141 HB ILE 18 HB ILE 18 21.247 10.622 16.327 142 HG12 ILE 18 2HG1 ILE 18 19.301 9.256 14.532 143 HG13 ILE 18 3HG1 ILE 18 19.902 8.353 15.919 144 HG21 ILE 18 1HG2 ILE 18 20.387 11.881 14.499 145 HG22 ILE 18 2HG2 ILE 18 22.050 11.453 14.103 146 HG23 ILE 18 3HG2 ILE 18 20.714 10.571 13.365 147 HD11 ILE 18 3HD1 ILE 18 18.779 11.108 16.234 148 HD12 ILE 18 1HD1 ILE 18 17.736 9.688 16.174 149 HD13 ILE 18 2HD1 ILE 18 18.956 9.833 17.440
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