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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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645524 |
6j9p ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 -8.868 2.616 1.692 2 H2 ARG 1 HT2 ARG 1 -9.797 2.050 3.018 3 H3 ARG 1 HT3 ARG 1 -10.097 1.448 1.439 4 HA ARG 1 HA ARG 1 -7.819 0.953 3.213 5 HB2 ARG 1 HB2 ARG 1 -9.784 -0.776 1.696 6 HB3 ARG 1 HB1 ARG 1 -8.435 -1.397 2.638 7 HG2 ARG 1 HG2 ARG 1 -9.391 -0.757 4.660 8 HG3 ARG 1 HG1 ARG 1 -10.494 0.382 3.886 9 HD2 ARG 1 HD2 ARG 1 -11.189 -1.996 2.718 10 HD3 ARG 1 HD1 ARG 1 -10.778 -2.490 4.360 11 HE ARG 1 HE ARG 1 -12.647 -1.407 5.124 12 HH11 ARG 1 HH11 ARG 1 -12.010 -0.402 1.843 13 HH12 ARG 1 HH12 ARG 1 -13.508 0.452 1.682 14 HH21 ARG 1 HH21 ARG 1 -14.618 -0.286 4.913 15 HH22 ARG 1 HH22 ARG 1 -14.988 0.519 3.425 16 H ARG 2 HN ARG 2 -6.115 -0.392 2.287 17 HA ARG 2 HA ARG 2 -4.508 -0.875 0.753 18 HB2 ARG 2 HB2 ARG 2 -6.464 -0.230 -1.442 19 HB3 ARG 2 HB1 ARG 2 -5.104 -1.341 -1.488 20 HG2 ARG 2 HG2 ARG 2 -6.272 -3.028 -0.556 21 HG3 ARG 2 HG1 ARG 2 -7.197 -1.955 0.495 22 HD2 ARG 2 HD2 ARG 2 -7.651 -2.505 -2.432 23 HD3 ARG 2 HD1 ARG 2 -8.707 -2.922 -1.083 24 HE ARG 2 HE ARG 2 -8.396 -0.170 -1.035 25 HH11 ARG 2 HH11 ARG 2 -9.710 -2.576 -3.193 26 HH12 ARG 2 HH12 ARG 2 -10.879 -1.501 -3.882 27 HH21 ARG 2 HH21 ARG 2 -9.931 1.248 -1.941 28 HH22 ARG 2 HH22 ARG 2 -11.004 0.670 -3.172 29 H LEU 3 HN LEU 3 -5.007 1.853 1.727 30 HA LEU 3 HA LEU 3 -4.249 3.580 -0.488 31 HB2 LEU 3 HB2 LEU 3 -3.998 5.230 1.572 32 HB3 LEU 3 HB1 LEU 3 -5.556 4.863 0.864 33 HG LEU 3 HG LEU 3 -4.677 3.145 3.119 34 HD11 LEU 3 HD11 LEU 3 -5.387 4.758 4.783 35 HD12 LEU 3 HD12 LEU 3 -5.647 5.968 3.526 36 HD13 LEU 3 HD13 LEU 3 -4.017 5.384 3.865 37 HD21 LEU 3 HD21 LEU 3 -6.770 2.532 2.529 38 HD22 LEU 3 HD22 LEU 3 -7.173 4.118 1.873 39 HD23 LEU 3 HD23 LEU 3 -7.207 3.849 3.617 40 H ILE 4 HN ILE 4 -2.924 2.817 2.691 41 HA ILE 4 HA ILE 4 -0.325 3.748 2.142 42 HB ILE 4 HB ILE 4 0.335 2.596 4.219 43 HG12 ILE 4 HG12 ILE 4 -2.541 1.817 4.595 44 HG13 ILE 4 HG11 ILE 4 -1.440 0.741 3.741 45 HG21 ILE 4 HG21 ILE 4 -0.607 4.167 5.569 46 HG22 ILE 4 HG22 ILE 4 -2.226 3.919 4.916 47 HG23 ILE 4 HG23 ILE 4 -1.041 4.853 4.003 48 HD11 ILE 4 HD11 ILE 4 -1.080 -0.094 5.785 49 HD12 ILE 4 HD12 ILE 4 -1.633 1.371 6.596 50 HD13 ILE 4 HD13 ILE 4 0.008 1.284 5.955 51 H ARG 5 HN ARG 5 -1.983 1.025 1.360 52 HA ARG 5 HA ARG 5 0.079 -0.901 1.270 53 HB2 ARG 5 HB2 ARG 5 -2.696 -0.799 0.121 54 HB3 ARG 5 HB1 ARG 5 -1.666 -2.239 0.124 55 HG2 ARG 5 HG2 ARG 5 -2.325 -0.645 2.573 56 HG3 ARG 5 HG1 ARG 5 -3.236 -2.106 2.057 57 HD2 ARG 5 HD2 ARG 5 -0.435 -2.631 1.883 58 HD3 ARG 5 HD1 ARG 5 -0.795 -1.955 3.487 59 HE ARG 5 HE ARG 5 -2.588 -4.065 2.696 60 HH11 ARG 5 HH11 ARG 5 0.460 -3.325 4.225 61 HH12 ARG 5 HH12 ARG 5 0.512 -4.805 5.122 62 HH21 ARG 5 HH21 ARG 5 -2.522 -6.014 3.873 63 HH22 ARG 5 HH22 ARG 5 -1.180 -6.333 4.922 64 H LEU 6 HN LEU 6 -1.839 0.466 -1.432 65 HA LEU 6 HA LEU 6 -0.218 -0.469 -3.463 66 HB2 LEU 6 HB2 LEU 6 -2.148 1.700 -3.162 67 HB3 LEU 6 HB1 LEU 6 -0.864 2.125 -4.277 68 HG LEU 6 HG LEU 6 -2.856 1.147 -5.385 69 HD11 LEU 6 HD11 LEU 6 -1.405 -0.810 -6.462 70 HD12 LEU 6 HD12 LEU 6 -0.122 0.033 -5.593 71 HD13 LEU 6 HD13 LEU 6 -1.092 0.895 -6.787 72 HD21 LEU 6 HD21 LEU 6 -3.063 -0.531 -3.344 73 HD22 LEU 6 HD22 LEU 6 -2.101 -1.553 -4.411 74 HD23 LEU 6 HD23 LEU 6 -3.663 -0.938 -4.951 75 H ILE 7 HN ILE 7 0.409 1.645 -0.963 76 HA ILE 7 HA ILE 7 2.694 2.841 -2.128 77 HB ILE 7 HB ILE 7 1.001 3.216 0.291 78 HG12 ILE 7 HG12 ILE 7 1.433 5.672 -0.358 79 HG13 ILE 7 HG11 ILE 7 2.201 5.040 -1.811 80 HG21 ILE 7 HG21 ILE 7 2.713 4.720 1.320 81 HG22 ILE 7 HG22 ILE 7 3.893 4.131 0.150 82 HG23 ILE 7 HG23 ILE 7 3.179 3.019 1.318 83 HD11 ILE 7 HD11 ILE 7 0.184 5.091 -2.729 84 HD12 ILE 7 HD12 ILE 7 -0.603 5.333 -1.169 85 HD13 ILE 7 HD13 ILE 7 -0.208 3.703 -1.714 86 H LEU 8 HN LEU 8 1.739 0.875 0.462 87 HA LEU 8 HA LEU 8 4.201 0.207 1.454 88 HB2 LEU 8 HB2 LEU 8 1.682 -0.133 2.132 89 HB3 LEU 8 HB1 LEU 8 2.009 -1.729 1.505 90 HG LEU 8 HG LEU 8 2.250 -1.527 3.986 91 HD11 LEU 8 HD11 LEU 8 3.656 -3.036 2.257 92 HD12 LEU 8 HD12 LEU 8 3.813 -3.149 4.010 93 HD13 LEU 8 HD13 LEU 8 4.971 -2.197 3.080 94 HD21 LEU 8 HD21 LEU 8 3.289 0.798 3.793 95 HD22 LEU 8 HD22 LEU 8 4.798 -0.039 3.429 96 HD23 LEU 8 HD23 LEU 8 3.992 -0.307 4.974 97 H ARG 9 HN ARG 9 2.739 -0.580 -1.333 98 HA ARG 9 HA ARG 9 3.785 -3.174 -1.807 99 HB2 ARG 9 HB2 ARG 9 2.564 -1.014 -3.458 100 HB3 ARG 9 HB1 ARG 9 2.777 -2.677 -4.020 101 HG2 ARG 9 HG2 ARG 9 1.114 -1.760 -1.661 102 HG3 ARG 9 HG1 ARG 9 0.483 -2.241 -3.256 103 HD2 ARG 9 HD2 ARG 9 1.813 -3.958 -1.177 104 HD3 ARG 9 HD1 ARG 9 0.206 -4.135 -1.879 105 HE ARG 9 HE ARG 9 2.677 -5.117 -2.947 106 HH11 ARG 9 HH11 ARG 9 -0.546 -4.058 -3.769 107 HH12 ARG 9 HH12 ARG 9 -0.602 -4.962 -5.244 108 HH21 ARG 9 HH21 ARG 9 2.605 -6.307 -4.887 109 HH22 ARG 9 HH22 ARG 9 1.187 -6.239 -5.879 110 H LEU 10 HN LEU 10 4.509 0.084 -2.986 111 HA LEU 10 HA LEU 10 6.870 -0.840 -4.421 112 HB2 LEU 10 HB2 LEU 10 5.831 1.968 -3.965 113 HB3 LEU 10 HB1 LEU 10 7.141 1.526 -5.044 114 HG LEU 10 HG LEU 10 4.233 0.781 -5.355 115 HD11 LEU 10 HD11 LEU 10 5.988 2.873 -6.492 116 HD12 LEU 10 HD12 LEU 10 4.254 2.895 -6.167 117 HD13 LEU 10 HD13 LEU 10 4.872 2.073 -7.599 118 HD21 LEU 10 HD21 LEU 10 5.247 0.042 -7.669 119 HD22 LEU 10 HD22 LEU 10 5.231 -1.054 -6.287 120 HD23 LEU 10 HD23 LEU 10 6.706 -0.181 -6.702 121 H LEU 11 HN LEU 11 5.844 0.474 -1.488 122 HA LEU 11 HA LEU 11 8.293 1.508 -0.475 123 HB2 LEU 11 HB2 LEU 11 5.580 0.787 0.533 124 HB3 LEU 11 HB1 LEU 11 6.851 1.129 1.704 125 HG LEU 11 HG LEU 11 5.422 2.951 -0.165 126 HD11 LEU 11 HD11 LEU 11 6.461 3.433 2.616 127 HD12 LEU 11 HD12 LEU 11 4.899 2.685 2.283 128 HD13 LEU 11 HD13 LEU 11 5.220 4.335 1.746 129 HD21 LEU 11 HD21 LEU 11 8.246 3.383 0.797 130 HD22 LEU 11 HD22 LEU 11 7.199 4.676 0.213 131 HD23 LEU 11 HD23 LEU 11 7.667 3.364 -0.870 132 H ARG 12 HN ARG 12 6.454 -1.482 -0.197 133 HA ARG 12 HA ARG 12 7.095 -3.616 0.331 134 HB2 ARG 12 HB2 ARG 12 9.378 -2.637 -0.707 135 HB3 ARG 12 HB1 ARG 12 9.911 -2.919 0.944 136 HG2 ARG 12 HG2 ARG 12 9.965 -5.132 0.672 137 HG3 ARG 12 HG1 ARG 12 8.427 -5.157 -0.190 138 HD2 ARG 12 HD2 ARG 12 11.073 -4.348 -1.391 139 HD3 ARG 12 HD1 ARG 12 10.324 -5.932 -1.570 140 HE ARG 12 HE ARG 12 8.670 -4.978 -2.940 141 HH11 ARG 12 HH11 ARG 12 11.043 -2.620 -1.919 142 HH12 ARG 12 HH12 ARG 12 10.601 -1.473 -3.136 143 HH21 ARG 12 HH21 ARG 12 8.093 -3.466 -4.531 144 HH22 ARG 12 HH22 ARG 12 8.928 -1.951 -4.617 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 -9.741 2.112 1.461 2 H2 ARG 1 HT2 ARG 1 -8.328 2.923 2.002 3 H3 ARG 1 HT3 ARG 1 -9.436 2.270 3.140 4 HA ARG 1 HA ARG 1 -7.715 0.785 3.108 5 HB2 ARG 1 HB2 ARG 1 -10.027 -0.010 1.355 6 HB3 ARG 1 HB1 ARG 1 -8.758 -1.161 1.752 7 HG2 ARG 1 HG2 ARG 1 -9.617 -1.541 3.761 8 HG3 ARG 1 HG1 ARG 1 -9.723 0.184 4.116 9 HD2 ARG 1 HD2 ARG 1 -11.710 -1.290 2.399 10 HD3 ARG 1 HD1 ARG 1 -11.909 -1.058 4.136 11 HE ARG 1 HE ARG 1 -11.442 1.436 2.954 12 HH11 ARG 1 HH11 ARG 1 -13.892 -1.048 3.028 13 HH12 ARG 1 HH12 ARG 1 -15.195 0.054 2.735 14 HH21 ARG 1 HH21 ARG 1 -13.154 2.887 2.569 15 HH22 ARG 1 HH22 ARG 1 -14.777 2.288 2.474 16 H ARG 2 HN ARG 2 -6.174 -0.537 1.979 17 HA ARG 2 HA ARG 2 -4.496 -0.846 0.479 18 HB2 ARG 2 HB2 ARG 2 -6.444 0.020 -1.651 19 HB3 ARG 2 HB1 ARG 2 -5.085 -1.082 -1.813 20 HG2 ARG 2 HG2 ARG 2 -6.265 -2.846 -1.098 21 HG3 ARG 2 HG1 ARG 2 -7.101 -1.916 0.146 22 HD2 ARG 2 HD2 ARG 2 -7.736 -1.941 -2.803 23 HD3 ARG 2 HD1 ARG 2 -8.672 -2.718 -1.527 24 HE ARG 2 HE ARG 2 -8.348 0.097 -1.113 25 HH11 ARG 2 HH11 ARG 2 -10.233 -2.319 -2.782 26 HH12 ARG 2 HH12 ARG 2 -11.634 -1.311 -2.920 27 HH21 ARG 2 HH21 ARG 2 -10.190 1.424 -1.292 28 HH22 ARG 2 HH22 ARG 2 -11.610 0.814 -2.074 29 H LEU 3 HN LEU 3 -5.076 1.891 1.587 30 HA LEU 3 HA LEU 3 -4.125 3.682 -0.478 31 HB2 LEU 3 HB2 LEU 3 -4.539 5.424 1.035 32 HB3 LEU 3 HB1 LEU 3 -5.849 4.297 1.266 33 HG LEU 3 HG LEU 3 -3.454 4.281 3.081 34 HD11 LEU 3 HD11 LEU 3 -5.241 5.605 4.549 35 HD12 LEU 3 HD12 LEU 3 -5.671 6.228 2.956 36 HD13 LEU 3 HD13 LEU 3 -4.025 6.414 3.560 37 HD21 LEU 3 HD21 LEU 3 -4.589 2.475 3.781 38 HD22 LEU 3 HD22 LEU 3 -6.063 2.961 2.943 39 HD23 LEU 3 HD23 LEU 3 -5.682 3.642 4.524 40 H ILE 4 HN ILE 4 -3.060 2.386 2.593 41 HA ILE 4 HA ILE 4 -0.408 3.439 2.374 42 HB ILE 4 HB ILE 4 0.044 2.127 4.431 43 HG12 ILE 4 HG12 ILE 4 -2.903 1.523 4.497 44 HG13 ILE 4 HG11 ILE 4 -1.763 0.399 3.764 45 HG21 ILE 4 HG21 ILE 4 -0.885 3.703 5.781 46 HG22 ILE 4 HG22 ILE 4 -2.468 3.590 5.012 47 HG23 ILE 4 HG23 ILE 4 -1.167 4.482 4.224 48 HD11 ILE 4 HD11 ILE 4 -1.696 -0.474 5.823 49 HD12 ILE 4 HD12 ILE 4 -2.269 1.010 6.585 50 HD13 ILE 4 HD13 ILE 4 -0.569 0.843 6.145 51 H ARG 5 HN ARG 5 -2.072 0.810 1.308 52 HA ARG 5 HA ARG 5 0.003 -1.136 1.268 53 HB2 ARG 5 HB2 ARG 5 -2.707 -1.037 -0.034 54 HB3 ARG 5 HB1 ARG 5 -1.676 -2.470 0.080 55 HG2 ARG 5 HG2 ARG 5 -2.590 -0.843 2.428 56 HG3 ARG 5 HG1 ARG 5 -3.380 -2.356 1.874 57 HD2 ARG 5 HD2 ARG 5 -0.563 -2.760 1.975 58 HD3 ARG 5 HD1 ARG 5 -1.086 -2.033 3.511 59 HE ARG 5 HE ARG 5 -2.770 -4.206 2.734 60 HH11 ARG 5 HH11 ARG 5 0.289 -3.435 4.227 61 HH12 ARG 5 HH12 ARG 5 0.360 -4.909 5.134 62 HH21 ARG 5 HH21 ARG 5 -2.678 -6.144 3.926 63 HH22 ARG 5 HH22 ARG 5 -1.324 -6.447 4.962 64 H LEU 6 HN LEU 6 -1.878 0.268 -1.422 65 HA LEU 6 HA LEU 6 -0.197 -0.543 -3.452 66 HB2 LEU 6 HB2 LEU 6 -2.147 1.635 -3.091 67 HB3 LEU 6 HB1 LEU 6 -0.909 1.986 -4.281 68 HG LEU 6 HG LEU 6 -2.978 1.014 -5.249 69 HD11 LEU 6 HD11 LEU 6 -1.637 -0.996 -6.345 70 HD12 LEU 6 HD12 LEU 6 -0.285 -0.187 -5.552 71 HD13 LEU 6 HD13 LEU 6 -1.276 0.690 -6.719 72 HD21 LEU 6 HD21 LEU 6 -3.075 -0.602 -3.131 73 HD22 LEU 6 HD22 LEU 6 -2.242 -1.675 -4.255 74 HD23 LEU 6 HD23 LEU 6 -3.821 -1.012 -4.676 75 H ILE 7 HN ILE 7 0.343 1.528 -0.886 76 HA ILE 7 HA ILE 7 2.564 2.832 -2.041 77 HB ILE 7 HB ILE 7 0.867 3.108 0.380 78 HG12 ILE 7 HG12 ILE 7 1.073 5.546 -0.209 79 HG13 ILE 7 HG11 ILE 7 2.085 5.093 -1.577 80 HG21 ILE 7 HG21 ILE 7 3.033 2.969 1.428 81 HG22 ILE 7 HG22 ILE 7 2.538 4.663 1.428 82 HG23 ILE 7 HG23 ILE 7 3.737 4.094 0.266 83 HD11 ILE 7 HD11 ILE 7 0.304 4.680 -2.817 84 HD12 ILE 7 HD12 ILE 7 -0.695 5.307 -1.506 85 HD13 ILE 7 HD13 ILE 7 -0.350 3.580 -1.604 86 H LEU 8 HN LEU 8 1.752 0.852 0.593 87 HA LEU 8 HA LEU 8 4.289 0.294 1.450 88 HB2 LEU 8 HB2 LEU 8 2.595 -0.080 2.936 89 HB3 LEU 8 HB1 LEU 8 1.615 -0.838 1.708 90 HG LEU 8 HG LEU 8 2.392 -2.357 3.563 91 HD11 LEU 8 HD11 LEU 8 2.082 -2.857 0.863 92 HD12 LEU 8 HD12 LEU 8 2.109 -4.052 2.160 93 HD13 LEU 8 HD13 LEU 8 3.589 -3.671 1.280 94 HD21 LEU 8 HD21 LEU 8 4.986 -1.418 2.571 95 HD22 LEU 8 HD22 LEU 8 4.876 -3.162 2.809 96 HD23 LEU 8 HD23 LEU 8 4.537 -2.066 4.148 97 H ARG 9 HN ARG 9 2.707 -0.608 -1.230 98 HA ARG 9 HA ARG 9 3.792 -3.184 -1.700 99 HB2 ARG 9 HB2 ARG 9 2.477 -1.070 -3.335 100 HB3 ARG 9 HB1 ARG 9 2.729 -2.726 -3.904 101 HG2 ARG 9 HG2 ARG 9 1.096 -1.854 -1.512 102 HG3 ARG 9 HG1 ARG 9 0.444 -2.376 -3.086 103 HD2 ARG 9 HD2 ARG 9 1.916 -4.023 -1.042 104 HD3 ARG 9 HD1 ARG 9 0.279 -4.255 -1.653 105 HE ARG 9 HE ARG 9 2.686 -5.239 -2.806 106 HH11 ARG 9 HH11 ARG 9 -0.495 -4.048 -3.609 107 HH12 ARG 9 HH12 ARG 9 -0.576 -4.911 -5.108 108 HH21 ARG 9 HH21 ARG 9 2.581 -6.374 -4.777 109 HH22 ARG 9 HH22 ARG 9 1.169 -6.233 -5.770 110 H LEU 10 HN LEU 10 4.416 0.059 -2.971 111 HA LEU 10 HA LEU 10 6.750 -0.858 -4.455 112 HB2 LEU 10 HB2 LEU 10 5.625 1.924 -4.050 113 HB3 LEU 10 HB1 LEU 10 6.966 1.524 -5.106 114 HG LEU 10 HG LEU 10 4.110 0.605 -5.441 115 HD11 LEU 10 HD11 LEU 10 5.712 2.830 -6.545 116 HD12 LEU 10 HD12 LEU 10 3.978 2.715 -6.246 117 HD13 LEU 10 HD13 LEU 10 4.679 1.954 -7.674 118 HD21 LEU 10 HD21 LEU 10 5.213 -0.033 -7.754 119 HD22 LEU 10 HD22 LEU 10 5.226 -1.146 -6.386 120 HD23 LEU 10 HD23 LEU 10 6.657 -0.182 -6.753 121 H LEU 11 HN LEU 11 5.793 0.509 -1.527 122 HA LEU 11 HA LEU 11 8.254 1.615 -0.624 123 HB2 LEU 11 HB2 LEU 11 5.589 0.874 0.493 124 HB3 LEU 11 HB1 LEU 11 6.889 1.286 1.608 125 HG LEU 11 HG LEU 11 5.363 3.010 -0.282 126 HD11 LEU 11 HD11 LEU 11 6.452 3.584 2.463 127 HD12 LEU 11 HD12 LEU 11 4.887 2.825 2.172 128 HD13 LEU 11 HD13 LEU 11 5.196 4.461 1.590 129 HD21 LEU 11 HD21 LEU 11 8.201 3.533 0.592 130 HD22 LEU 11 HD22 LEU 11 7.110 4.786 -0.000 131 HD23 LEU 11 HD23 LEU 11 7.578 3.453 -1.056 132 H ARG 12 HN ARG 12 6.475 -1.398 -0.200 133 HA ARG 12 HA ARG 12 7.162 -3.501 0.381 134 HB2 ARG 12 HB2 ARG 12 9.341 -2.605 -0.849 135 HB3 ARG 12 HB1 ARG 12 9.999 -2.677 0.778 136 HG2 ARG 12 HG2 ARG 12 10.194 -4.888 0.706 137 HG3 ARG 12 HG1 ARG 12 8.554 -5.090 0.089 138 HD2 ARG 12 HD2 ARG 12 10.985 -4.378 -1.549 139 HD3 ARG 12 HD1 ARG 12 10.222 -5.963 -1.474 140 HE ARG 12 HE ARG 12 8.394 -5.122 -2.695 141 HH11 ARG 12 HH11 ARG 12 10.893 -2.715 -2.245 142 HH12 ARG 12 HH12 ARG 12 10.303 -1.695 -3.512 143 HH21 ARG 12 HH21 ARG 12 7.626 -3.773 -4.355 144 HH22 ARG 12 HH22 ARG 12 8.454 -2.293 -4.707 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 -8.279 1.851 1.407 2 H2 ARG 1 HT2 ARG 1 -7.762 2.177 3.011 3 H3 ARG 1 HT3 ARG 1 -9.377 1.680 2.712 4 HA ARG 1 HA ARG 1 -7.915 -0.044 3.624 5 HB2 ARG 1 HB2 ARG 1 -9.178 -0.405 0.900 6 HB3 ARG 1 HB1 ARG 1 -8.703 -1.733 1.949 7 HG2 ARG 1 HG2 ARG 1 -10.723 -1.645 2.848 8 HG3 ARG 1 HG1 ARG 1 -10.282 -0.087 3.548 9 HD2 ARG 1 HD2 ARG 1 -10.941 0.577 0.968 10 HD3 ARG 1 HD1 ARG 1 -12.085 -0.713 1.337 11 HE ARG 1 HE ARG 1 -12.035 1.936 2.454 12 HH11 ARG 1 HH11 ARG 1 -13.077 -1.359 2.946 13 HH12 ARG 1 HH12 ARG 1 -14.354 -0.925 4.032 14 HH21 ARG 1 HH21 ARG 1 -13.713 2.508 3.883 15 HH22 ARG 1 HH22 ARG 1 -14.715 1.270 4.564 16 H ARG 2 HN ARG 2 -7.259 0.665 0.185 17 HA ARG 2 HA ARG 2 -4.587 -0.514 0.548 18 HB2 ARG 2 HB2 ARG 2 -5.903 -0.025 -2.113 19 HB3 ARG 2 HB1 ARG 2 -4.565 -1.102 -1.738 20 HG2 ARG 2 HG2 ARG 2 -5.955 -2.790 -1.405 21 HG3 ARG 2 HG1 ARG 2 -6.858 -1.864 -0.205 22 HD2 ARG 2 HD2 ARG 2 -7.275 -1.879 -3.191 23 HD3 ARG 2 HD1 ARG 2 -8.355 -2.537 -1.962 24 HE ARG 2 HE ARG 2 -7.819 0.281 -1.684 25 HH11 ARG 2 HH11 ARG 2 -9.875 -2.127 -3.155 26 HH12 ARG 2 HH12 ARG 2 -11.205 -1.040 -3.368 27 HH21 ARG 2 HH21 ARG 2 -9.570 1.711 -1.966 28 HH22 ARG 2 HH22 ARG 2 -11.033 1.138 -2.694 29 H LEU 3 HN LEU 3 -5.100 2.115 1.394 30 HA LEU 3 HA LEU 3 -4.106 3.910 -0.648 31 HB2 LEU 3 HB2 LEU 3 -4.543 5.649 0.862 32 HB3 LEU 3 HB1 LEU 3 -5.858 4.523 1.073 33 HG LEU 3 HG LEU 3 -3.488 4.498 2.920 34 HD11 LEU 3 HD11 LEU 3 -4.934 5.896 4.439 35 HD12 LEU 3 HD12 LEU 3 -5.902 6.281 3.016 36 HD13 LEU 3 HD13 LEU 3 -4.200 6.740 3.075 37 HD21 LEU 3 HD21 LEU 3 -4.636 2.704 3.619 38 HD22 LEU 3 HD22 LEU 3 -6.088 3.178 2.738 39 HD23 LEU 3 HD23 LEU 3 -5.753 3.873 4.323 40 H ILE 4 HN ILE 4 -3.103 2.597 2.436 41 HA ILE 4 HA ILE 4 -0.431 3.616 2.246 42 HB ILE 4 HB ILE 4 -0.024 2.341 4.331 43 HG12 ILE 4 HG12 ILE 4 -2.961 1.782 4.487 44 HG13 ILE 4 HG11 ILE 4 -1.923 0.666 3.606 45 HG21 ILE 4 HG21 ILE 4 -0.915 3.975 5.614 46 HG22 ILE 4 HG22 ILE 4 -2.524 3.800 4.914 47 HG23 ILE 4 HG23 ILE 4 -1.276 4.694 4.045 48 HD11 ILE 4 HD11 ILE 4 -1.881 -0.296 5.661 49 HD12 ILE 4 HD12 ILE 4 -2.067 1.239 6.509 50 HD13 ILE 4 HD13 ILE 4 -0.504 0.793 5.824 51 H ARG 5 HN ARG 5 -2.138 1.018 1.195 52 HA ARG 5 HA ARG 5 -0.127 -0.989 1.208 53 HB2 ARG 5 HB2 ARG 5 -2.813 -0.798 -0.133 54 HB3 ARG 5 HB1 ARG 5 -1.828 -2.265 -0.028 55 HG2 ARG 5 HG2 ARG 5 -2.688 -0.635 2.336 56 HG3 ARG 5 HG1 ARG 5 -3.549 -2.098 1.754 57 HD2 ARG 5 HD2 ARG 5 -0.755 -2.642 1.858 58 HD3 ARG 5 HD1 ARG 5 -1.250 -1.921 3.405 59 HE ARG 5 HE ARG 5 -3.003 -4.022 2.530 60 HH11 ARG 5 HH11 ARG 5 -0.037 -3.325 4.231 61 HH12 ARG 5 HH12 ARG 5 -0.074 -4.791 5.151 62 HH21 ARG 5 HH21 ARG 5 -3.054 -5.951 3.740 63 HH22 ARG 5 HH22 ARG 5 -1.786 -6.282 4.873 64 H LEU 6 HN LEU 6 -1.903 0.448 -1.539 65 HA LEU 6 HA LEU 6 -0.204 -0.439 -3.523 66 HB2 LEU 6 HB2 LEU 6 -2.127 1.757 -3.241 67 HB3 LEU 6 HB1 LEU 6 -0.832 2.125 -4.365 68 HG LEU 6 HG LEU 6 -2.850 1.171 -5.450 69 HD11 LEU 6 HD11 LEU 6 -1.469 -0.823 -6.513 70 HD12 LEU 6 HD12 LEU 6 -0.152 -0.049 -5.631 71 HD13 LEU 6 HD13 LEU 6 -1.067 0.865 -6.830 72 HD21 LEU 6 HD21 LEU 6 -3.006 -0.497 -3.346 73 HD22 LEU 6 HD22 LEU 6 -2.197 -1.546 -4.510 74 HD23 LEU 6 HD23 LEU 6 -3.756 -0.823 -4.908 75 H ILE 7 HN ILE 7 0.343 1.652 -0.973 76 HA ILE 7 HA ILE 7 2.626 2.879 -2.093 77 HB ILE 7 HB ILE 7 0.890 3.222 0.295 78 HG12 ILE 7 HG12 ILE 7 1.177 5.653 -0.316 79 HG13 ILE 7 HG11 ILE 7 2.177 5.150 -1.675 80 HG21 ILE 7 HG21 ILE 7 3.026 3.054 1.388 81 HG22 ILE 7 HG22 ILE 7 2.584 4.760 1.343 82 HG23 ILE 7 HG23 ILE 7 3.787 4.131 0.218 83 HD11 ILE 7 HD11 ILE 7 0.380 4.808 -2.911 84 HD12 ILE 7 HD12 ILE 7 -0.608 5.428 -1.589 85 HD13 ILE 7 HD13 ILE 7 -0.284 3.699 -1.712 86 H LEU 8 HN LEU 8 1.693 0.940 0.528 87 HA LEU 8 HA LEU 8 4.196 0.321 1.454 88 HB2 LEU 8 HB2 LEU 8 2.436 0.028 2.891 89 HB3 LEU 8 HB1 LEU 8 1.487 -0.752 1.652 90 HG LEU 8 HG LEU 8 2.205 -2.221 3.577 91 HD11 LEU 8 HD11 LEU 8 1.958 -2.784 0.867 92 HD12 LEU 8 HD12 LEU 8 1.870 -3.928 2.206 93 HD13 LEU 8 HD13 LEU 8 3.404 -3.652 1.382 94 HD21 LEU 8 HD21 LEU 8 4.735 -1.158 2.939 95 HD22 LEU 8 HD22 LEU 8 4.789 -2.876 2.544 96 HD23 LEU 8 HD23 LEU 8 4.338 -2.358 4.169 97 H ARG 9 HN ARG 9 2.642 -0.556 -1.248 98 HA ARG 9 HA ARG 9 3.633 -3.171 -1.686 99 HB2 ARG 9 HB2 ARG 9 2.460 -0.999 -3.351 100 HB3 ARG 9 HB1 ARG 9 2.672 -2.655 -3.932 101 HG2 ARG 9 HG2 ARG 9 0.986 -1.751 -1.591 102 HG3 ARG 9 HG1 ARG 9 0.375 -2.234 -3.191 103 HD2 ARG 9 HD2 ARG 9 1.828 -3.986 -1.210 104 HD3 ARG 9 HD1 ARG 9 0.120 -4.072 -1.638 105 HE ARG 9 HE ARG 9 2.298 -5.229 -3.059 106 HH11 ARG 9 HH11 ARG 9 -0.849 -3.781 -3.488 107 HH12 ARG 9 HH12 ARG 9 -1.170 -4.618 -4.969 108 HH21 ARG 9 HH21 ARG 9 1.877 -6.330 -5.007 109 HH22 ARG 9 HH22 ARG 9 0.377 -6.065 -5.832 110 H LEU 10 HN LEU 10 4.443 0.039 -2.937 111 HA LEU 10 HA LEU 10 6.782 -0.983 -4.342 112 HB2 LEU 10 HB2 LEU 10 5.840 1.869 -3.953 113 HB3 LEU 10 HB1 LEU 10 7.118 1.347 -5.035 114 HG LEU 10 HG LEU 10 4.180 0.706 -5.294 115 HD11 LEU 10 HD11 LEU 10 5.389 3.013 -5.958 116 HD12 LEU 10 HD12 LEU 10 4.029 2.330 -6.849 117 HD13 LEU 10 HD13 LEU 10 5.676 2.081 -7.428 118 HD21 LEU 10 HD21 LEU 10 5.238 -0.074 -7.626 119 HD22 LEU 10 HD22 LEU 10 5.004 -1.165 -6.261 120 HD23 LEU 10 HD23 LEU 10 6.589 -0.449 -6.555 121 H LEU 11 HN LEU 11 5.781 0.531 -1.478 122 HA LEU 11 HA LEU 11 8.238 1.495 -0.460 123 HB2 LEU 11 HB2 LEU 11 5.522 0.806 0.558 124 HB3 LEU 11 HB1 LEU 11 6.794 1.155 1.723 125 HG LEU 11 HG LEU 11 5.391 2.966 -0.184 126 HD11 LEU 11 HD11 LEU 11 6.360 3.439 2.625 127 HD12 LEU 11 HD12 LEU 11 4.794 2.724 2.241 128 HD13 LEU 11 HD13 LEU 11 5.165 4.367 1.718 129 HD21 LEU 11 HD21 LEU 11 8.200 3.373 0.830 130 HD22 LEU 11 HD22 LEU 11 7.174 4.685 0.252 131 HD23 LEU 11 HD23 LEU 11 7.642 3.384 -0.843 132 H ARG 12 HN ARG 12 6.365 -1.474 -0.155 133 HA ARG 12 HA ARG 12 6.934 -3.594 0.474 134 HB2 ARG 12 HB2 ARG 12 9.170 -2.718 -0.775 135 HB3 ARG 12 HB1 ARG 12 9.816 -3.039 0.828 136 HG2 ARG 12 HG2 ARG 12 9.667 -5.261 0.583 137 HG3 ARG 12 HG1 ARG 12 8.114 -5.168 -0.249 138 HD2 ARG 12 HD2 ARG 12 10.787 -4.531 -1.494 139 HD3 ARG 12 HD1 ARG 12 9.930 -6.059 -1.672 140 HE ARG 12 HE ARG 12 8.323 -4.987 -3.007 141 HH11 ARG 12 HH11 ARG 12 10.849 -2.790 -1.993 142 HH12 ARG 12 HH12 ARG 12 10.455 -1.599 -3.185 143 HH21 ARG 12 HH21 ARG 12 7.810 -3.414 -4.564 144 HH22 ARG 12 HH22 ARG 12 8.733 -1.951 -4.640 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 -8.112 2.911 2.209 2 H2 ARG 1 HT2 ARG 1 -9.220 2.274 3.355 3 H3 ARG 1 HT3 ARG 1 -9.611 2.266 1.684 4 HA ARG 1 HA ARG 1 -7.658 0.646 3.144 5 HB2 ARG 1 HB2 ARG 1 -10.168 0.271 1.585 6 HB3 ARG 1 HB1 ARG 1 -8.960 -1.003 1.493 7 HG2 ARG 1 HG2 ARG 1 -9.573 -1.800 3.463 8 HG3 ARG 1 HG1 ARG 1 -9.334 -0.227 4.224 9 HD2 ARG 1 HD2 ARG 1 -11.812 -1.078 2.729 10 HD3 ARG 1 HD1 ARG 1 -11.637 -1.077 4.483 11 HE ARG 1 HE ARG 1 -11.043 1.471 3.805 12 HH11 ARG 1 HH11 ARG 1 -13.734 -0.624 3.066 13 HH12 ARG 1 HH12 ARG 1 -14.873 0.674 2.944 14 HH21 ARG 1 HH21 ARG 1 -12.540 3.180 3.645 15 HH22 ARG 1 HH22 ARG 1 -14.196 2.834 3.272 16 H ARG 2 HN ARG 2 -6.134 -0.548 1.963 17 HA ARG 2 HA ARG 2 -4.522 -0.862 0.395 18 HB2 ARG 2 HB2 ARG 2 -6.518 0.082 -1.655 19 HB3 ARG 2 HB1 ARG 2 -5.189 -1.047 -1.877 20 HG2 ARG 2 HG2 ARG 2 -6.383 -2.799 -1.146 21 HG3 ARG 2 HG1 ARG 2 -7.176 -1.864 0.123 22 HD2 ARG 2 HD2 ARG 2 -7.864 -1.812 -2.814 23 HD3 ARG 2 HD1 ARG 2 -8.780 -2.634 -1.552 24 HE ARG 2 HE ARG 2 -8.427 0.176 -1.070 25 HH11 ARG 2 HH11 ARG 2 -10.393 -2.219 -2.676 26 HH12 ARG 2 HH12 ARG 2 -11.802 -1.214 -2.720 27 HH21 ARG 2 HH21 ARG 2 -10.279 1.499 -1.127 28 HH22 ARG 2 HH22 ARG 2 -11.738 0.897 -1.841 29 H LEU 3 HN LEU 3 -5.093 1.891 1.549 30 HA LEU 3 HA LEU 3 -4.125 3.679 -0.509 31 HB2 LEU 3 HB2 LEU 3 -4.533 5.422 1.005 32 HB3 LEU 3 HB1 LEU 3 -5.851 4.303 1.228 33 HG LEU 3 HG LEU 3 -3.465 4.264 3.053 34 HD11 LEU 3 HD11 LEU 3 -5.247 5.606 4.513 35 HD12 LEU 3 HD12 LEU 3 -5.654 6.239 2.918 36 HD13 LEU 3 HD13 LEU 3 -4.011 6.400 3.538 37 HD21 LEU 3 HD21 LEU 3 -4.621 2.473 3.750 38 HD22 LEU 3 HD22 LEU 3 -6.084 2.970 2.901 39 HD23 LEU 3 HD23 LEU 3 -5.709 3.650 4.484 40 H ILE 4 HN ILE 4 -3.078 2.382 2.570 41 HA ILE 4 HA ILE 4 -0.422 3.420 2.361 42 HB ILE 4 HB ILE 4 0.008 2.030 4.402 43 HG12 ILE 4 HG12 ILE 4 -2.967 1.641 4.543 44 HG13 ILE 4 HG11 ILE 4 -1.959 0.459 3.715 45 HG21 ILE 4 HG21 ILE 4 -0.422 4.076 5.201 46 HG22 ILE 4 HG22 ILE 4 -1.992 3.410 5.651 47 HG23 ILE 4 HG23 ILE 4 -1.812 4.301 4.140 48 HD11 ILE 4 HD11 ILE 4 -2.035 -0.454 5.795 49 HD12 ILE 4 HD12 ILE 4 -2.142 1.110 6.602 50 HD13 ILE 4 HD13 ILE 4 -0.596 0.552 5.962 51 H ARG 5 HN ARG 5 -2.087 0.800 1.273 52 HA ARG 5 HA ARG 5 -0.016 -1.151 1.235 53 HB2 ARG 5 HB2 ARG 5 -2.716 -1.035 -0.089 54 HB3 ARG 5 HB1 ARG 5 -1.690 -2.472 0.024 55 HG2 ARG 5 HG2 ARG 5 -2.617 -0.857 2.376 56 HG3 ARG 5 HG1 ARG 5 -3.411 -2.361 1.804 57 HD2 ARG 5 HD2 ARG 5 -0.594 -2.775 1.929 58 HD3 ARG 5 HD1 ARG 5 -1.136 -2.069 3.468 59 HE ARG 5 HE ARG 5 -2.838 -4.205 2.681 60 HH11 ARG 5 HH11 ARG 5 0.298 -3.550 4.064 61 HH12 ARG 5 HH12 ARG 5 0.377 -5.056 4.914 62 HH21 ARG 5 HH21 ARG 5 -2.736 -6.188 3.798 63 HH22 ARG 5 HH22 ARG 5 -1.345 -6.555 4.763 64 H LEU 6 HN LEU 6 -1.874 0.271 -1.462 65 HA LEU 6 HA LEU 6 -0.178 -0.530 -3.484 66 HB2 LEU 6 HB2 LEU 6 -2.139 1.632 -3.129 67 HB3 LEU 6 HB1 LEU 6 -0.885 2.012 -4.294 68 HG LEU 6 HG LEU 6 -2.900 1.052 -5.341 69 HD11 LEU 6 HD11 LEU 6 -0.911 -1.082 -5.759 70 HD12 LEU 6 HD12 LEU 6 -0.330 0.570 -5.967 71 HD13 LEU 6 HD13 LEU 6 -1.694 -0.010 -6.921 72 HD21 LEU 6 HD21 LEU 6 -3.181 -0.519 -3.243 73 HD22 LEU 6 HD22 LEU 6 -2.236 -1.628 -4.236 74 HD23 LEU 6 HD23 LEU 6 -3.771 -0.998 -4.834 75 H ILE 7 HN ILE 7 0.344 1.530 -0.905 76 HA ILE 7 HA ILE 7 2.571 2.842 -2.039 77 HB ILE 7 HB ILE 7 0.865 3.095 0.379 78 HG12 ILE 7 HG12 ILE 7 1.037 5.528 -0.190 79 HG13 ILE 7 HG11 ILE 7 2.095 5.115 -1.536 80 HG21 ILE 7 HG21 ILE 7 2.523 4.636 1.454 81 HG22 ILE 7 HG22 ILE 7 3.729 4.105 0.281 82 HG23 ILE 7 HG23 ILE 7 3.040 2.950 1.421 83 HD11 ILE 7 HD11 ILE 7 0.369 4.627 -2.836 84 HD12 ILE 7 HD12 ILE 7 -0.663 5.320 -1.585 85 HD13 ILE 7 HD13 ILE 7 -0.350 3.585 -1.609 86 H LEU 8 HN LEU 8 1.746 0.854 0.585 87 HA LEU 8 HA LEU 8 4.273 0.281 1.456 88 HB2 LEU 8 HB2 LEU 8 2.552 -0.090 2.918 89 HB3 LEU 8 HB1 LEU 8 1.595 -0.857 1.676 90 HG LEU 8 HG LEU 8 2.368 -2.358 3.555 91 HD11 LEU 8 HD11 LEU 8 2.028 -2.878 0.873 92 HD12 LEU 8 HD12 LEU 8 2.103 -4.072 2.168 93 HD13 LEU 8 HD13 LEU 8 3.558 -3.668 1.256 94 HD21 LEU 8 HD21 LEU 8 4.880 -1.251 2.869 95 HD22 LEU 8 HD22 LEU 8 4.938 -2.974 2.500 96 HD23 LEU 8 HD23 LEU 8 4.509 -2.434 4.123 97 H ARG 9 HN ARG 9 2.709 -0.609 -1.239 98 HA ARG 9 HA ARG 9 3.794 -3.185 -1.710 99 HB2 ARG 9 HB2 ARG 9 2.494 -1.063 -3.347 100 HB3 ARG 9 HB1 ARG 9 2.745 -2.718 -3.919 101 HG2 ARG 9 HG2 ARG 9 1.099 -1.850 -1.535 102 HG3 ARG 9 HG1 ARG 9 0.456 -2.362 -3.115 103 HD2 ARG 9 HD2 ARG 9 1.947 -4.032 -1.097 104 HD3 ARG 9 HD1 ARG 9 0.285 -4.233 -1.649 105 HE ARG 9 HE ARG 9 2.639 -5.235 -2.905 106 HH11 ARG 9 HH11 ARG 9 -0.577 -4.042 -3.545 107 HH12 ARG 9 HH12 ARG 9 -0.738 -4.909 -5.035 108 HH21 ARG 9 HH21 ARG 9 2.430 -6.377 -4.864 109 HH22 ARG 9 HH22 ARG 9 0.969 -6.235 -5.784 110 H LEU 10 HN LEU 10 4.428 0.061 -2.966 111 HA LEU 10 HA LEU 10 6.773 -0.852 -4.435 112 HB2 LEU 10 HB2 LEU 10 5.649 1.931 -4.032 113 HB3 LEU 10 HB1 LEU 10 6.987 1.526 -5.090 114 HG LEU 10 HG LEU 10 4.118 0.646 -5.416 115 HD11 LEU 10 HD11 LEU 10 4.743 1.931 -7.680 116 HD12 LEU 10 HD12 LEU 10 5.775 2.810 -6.552 117 HD13 LEU 10 HD13 LEU 10 4.035 2.733 -6.278 118 HD21 LEU 10 HD21 LEU 10 5.172 -0.096 -7.702 119 HD22 LEU 10 HD22 LEU 10 5.226 -1.158 -6.295 120 HD23 LEU 10 HD23 LEU 10 6.646 -0.210 -6.740 121 H LEU 11 HN LEU 11 5.792 0.535 -1.518 122 HA LEU 11 HA LEU 11 8.249 1.629 -0.594 123 HB2 LEU 11 HB2 LEU 11 5.574 0.893 0.506 124 HB3 LEU 11 HB1 LEU 11 6.866 1.315 1.627 125 HG LEU 11 HG LEU 11 5.330 3.021 -0.262 126 HD11 LEU 11 HD11 LEU 11 6.484 3.651 2.443 127 HD12 LEU 11 HD12 LEU 11 4.920 2.868 2.213 128 HD13 LEU 11 HD13 LEU 11 5.193 4.495 1.588 129 HD21 LEU 11 HD21 LEU 11 8.190 3.542 0.531 130 HD22 LEU 11 HD22 LEU 11 7.089 4.798 -0.036 131 HD23 LEU 11 HD23 LEU 11 7.518 3.457 -1.098 132 H ARG 12 HN ARG 12 6.471 -1.387 -0.203 133 HA ARG 12 HA ARG 12 7.168 -3.494 0.359 134 HB2 ARG 12 HB2 ARG 12 9.417 -2.495 -0.718 135 HB3 ARG 12 HB1 ARG 12 9.970 -2.704 0.936 136 HG2 ARG 12 HG2 ARG 12 10.102 -4.918 0.730 137 HG3 ARG 12 HG1 ARG 12 8.542 -5.025 -0.088 138 HD2 ARG 12 HD2 ARG 12 11.138 -4.196 -1.381 139 HD3 ARG 12 HD1 ARG 12 10.407 -5.793 -1.500 140 HE ARG 12 HE ARG 12 8.708 -4.899 -2.857 141 HH11 ARG 12 HH11 ARG 12 11.063 -2.477 -1.946 142 HH12 ARG 12 HH12 ARG 12 10.587 -1.376 -3.192 143 HH21 ARG 12 HH21 ARG 12 8.090 -3.443 -4.488 144 HH22 ARG 12 HH22 ARG 12 8.903 -1.921 -4.632 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 -8.141 2.918 2.157 2 H2 ARG 1 HT2 ARG 1 -9.243 2.304 3.321 3 H3 ARG 1 HT3 ARG 1 -9.635 2.246 1.651 4 HA ARG 1 HA ARG 1 -7.671 0.682 3.156 5 HB2 ARG 1 HB2 ARG 1 -9.857 -0.034 1.190 6 HB3 ARG 1 HB1 ARG 1 -8.878 -1.169 2.110 7 HG2 ARG 1 HG2 ARG 1 -10.738 -1.146 3.408 8 HG3 ARG 1 HG1 ARG 1 -9.861 0.194 4.151 9 HD2 ARG 1 HD2 ARG 1 -11.230 1.787 3.211 10 HD3 ARG 1 HD1 ARG 1 -11.694 0.747 1.865 11 HE ARG 1 HE ARG 1 -13.039 1.009 4.347 12 HH11 ARG 1 HH11 ARG 1 -12.208 -1.336 1.900 13 HH12 ARG 1 HH12 ARG 1 -13.571 -2.351 2.233 14 HH21 ARG 1 HH21 ARG 1 -14.832 -0.325 4.786 15 HH22 ARG 1 HH22 ARG 1 -15.060 -1.778 3.871 16 H ARG 2 HN ARG 2 -6.135 -0.532 2.008 17 HA ARG 2 HA ARG 2 -4.518 -0.876 0.450 18 HB2 ARG 2 HB2 ARG 2 -6.584 -0.008 -1.571 19 HB3 ARG 2 HB1 ARG 2 -5.182 -1.030 -1.855 20 HG2 ARG 2 HG2 ARG 2 -6.179 -2.877 -0.999 21 HG3 ARG 2 HG1 ARG 2 -7.134 -1.958 0.165 22 HD2 ARG 2 HD2 ARG 2 -7.683 -1.803 -2.780 23 HD3 ARG 2 HD1 ARG 2 -8.354 -3.095 -1.790 24 HE ARG 2 HE ARG 2 -9.674 -1.522 -0.655 25 HH11 ARG 2 HH11 ARG 2 -7.739 -0.029 -3.158 26 HH12 ARG 2 HH12 ARG 2 -8.675 1.426 -3.177 27 HH21 ARG 2 HH21 ARG 2 -10.896 0.393 -0.690 28 HH22 ARG 2 HH22 ARG 2 -10.463 1.667 -1.780 29 H LEU 3 HN LEU 3 -5.099 1.895 1.549 30 HA LEU 3 HA LEU 3 -4.129 3.648 -0.539 31 HB2 LEU 3 HB2 LEU 3 -4.544 5.416 0.943 32 HB3 LEU 3 HB1 LEU 3 -5.859 4.298 1.191 33 HG LEU 3 HG LEU 3 -3.466 4.309 3.011 34 HD11 LEU 3 HD11 LEU 3 -4.256 6.018 4.282 35 HD12 LEU 3 HD12 LEU 3 -5.927 5.776 3.772 36 HD13 LEU 3 HD13 LEU 3 -4.784 6.577 2.695 37 HD21 LEU 3 HD21 LEU 3 -4.606 2.522 3.750 38 HD22 LEU 3 HD22 LEU 3 -6.073 2.987 2.890 39 HD23 LEU 3 HD23 LEU 3 -5.705 3.705 4.458 40 H ILE 4 HN ILE 4 -3.090 2.405 2.564 41 HA ILE 4 HA ILE 4 -0.435 3.438 2.359 42 HB ILE 4 HB ILE 4 0.005 2.142 4.418 43 HG12 ILE 4 HG12 ILE 4 -2.922 1.469 4.488 44 HG13 ILE 4 HG11 ILE 4 -1.781 0.388 3.695 45 HG21 ILE 4 HG21 ILE 4 -0.982 3.688 5.762 46 HG22 ILE 4 HG22 ILE 4 -2.553 3.534 4.975 47 HG23 ILE 4 HG23 ILE 4 -1.267 4.465 4.205 48 HD11 ILE 4 HD11 ILE 4 -1.820 -0.522 5.776 49 HD12 ILE 4 HD12 ILE 4 -2.112 1.025 6.571 50 HD13 ILE 4 HD13 ILE 4 -0.498 0.627 5.981 51 H ARG 5 HN ARG 5 -2.092 0.817 1.266 52 HA ARG 5 HA ARG 5 -0.020 -1.132 1.234 53 HB2 ARG 5 HB2 ARG 5 -2.721 -1.022 -0.086 54 HB3 ARG 5 HB1 ARG 5 -1.693 -2.457 0.024 55 HG2 ARG 5 HG2 ARG 5 -2.618 -0.843 2.377 56 HG3 ARG 5 HG1 ARG 5 -3.408 -2.351 1.808 57 HD2 ARG 5 HD2 ARG 5 -0.593 -2.763 1.924 58 HD3 ARG 5 HD1 ARG 5 -1.123 -2.045 3.461 59 HE ARG 5 HE ARG 5 -2.759 -4.251 2.590 60 HH11 ARG 5 HH11 ARG 5 0.104 -3.340 4.365 61 HH12 ARG 5 HH12 ARG 5 0.120 -4.782 5.324 62 HH21 ARG 5 HH21 ARG 5 -2.740 -6.147 3.851 63 HH22 ARG 5 HH22 ARG 5 -1.494 -6.376 5.032 64 H LEU 6 HN LEU 6 -1.876 0.288 -1.468 65 HA LEU 6 HA LEU 6 -0.178 -0.518 -3.486 66 HB2 LEU 6 HB2 LEU 6 -2.134 1.650 -3.139 67 HB3 LEU 6 HB1 LEU 6 -0.877 2.023 -4.303 68 HG LEU 6 HG LEU 6 -2.920 1.051 -5.322 69 HD11 LEU 6 HD11 LEU 6 -1.520 -0.968 -6.375 70 HD12 LEU 6 HD12 LEU 6 -0.207 -0.087 -5.593 71 HD13 LEU 6 HD13 LEU 6 -1.226 0.722 -6.784 72 HD21 LEU 6 HD21 LEU 6 -3.005 -0.608 -3.210 73 HD22 LEU 6 HD22 LEU 6 -2.216 -1.657 -4.388 74 HD23 LEU 6 HD23 LEU 6 -3.791 -0.952 -4.751 75 H ILE 7 HN ILE 7 0.345 1.543 -0.906 76 HA ILE 7 HA ILE 7 2.579 2.848 -2.037 77 HB ILE 7 HB ILE 7 0.868 3.109 0.377 78 HG12 ILE 7 HG12 ILE 7 1.044 5.539 -0.194 79 HG13 ILE 7 HG11 ILE 7 2.107 5.126 -1.536 80 HG21 ILE 7 HG21 ILE 7 3.024 2.966 1.438 81 HG22 ILE 7 HG22 ILE 7 2.538 4.661 1.437 82 HG23 ILE 7 HG23 ILE 7 3.741 4.088 0.281 83 HD11 ILE 7 HD11 ILE 7 0.385 4.645 -2.842 84 HD12 ILE 7 HD12 ILE 7 -0.653 5.329 -1.591 85 HD13 ILE 7 HD13 ILE 7 -0.336 3.595 -1.622 86 H LEU 8 HN LEU 8 1.744 0.859 0.584 87 HA LEU 8 HA LEU 8 4.273 0.286 1.453 88 HB2 LEU 8 HB2 LEU 8 2.569 -0.090 2.928 89 HB3 LEU 8 HB1 LEU 8 1.591 -0.835 1.688 90 HG LEU 8 HG LEU 8 2.350 -2.370 3.538 91 HD11 LEU 8 HD11 LEU 8 2.040 -2.851 0.839 92 HD12 LEU 8 HD12 LEU 8 2.072 -4.058 2.124 93 HD13 LEU 8 HD13 LEU 8 3.549 -3.668 1.243 94 HD21 LEU 8 HD21 LEU 8 4.853 -3.153 2.724 95 HD22 LEU 8 HD22 LEU 8 4.489 -2.171 4.143 96 HD23 LEU 8 HD23 LEU 8 4.940 -1.394 2.625 97 H ARG 9 HN ARG 9 2.705 -0.597 -1.241 98 HA ARG 9 HA ARG 9 3.779 -3.175 -1.718 99 HB2 ARG 9 HB2 ARG 9 2.491 -1.043 -3.351 100 HB3 ARG 9 HB1 ARG 9 2.740 -2.696 -3.930 101 HG2 ARG 9 HG2 ARG 9 1.091 -1.837 -1.546 102 HG3 ARG 9 HG1 ARG 9 0.449 -2.335 -3.131 103 HD2 ARG 9 HD2 ARG 9 1.893 -4.017 -1.095 104 HD3 ARG 9 HD1 ARG 9 0.258 -4.228 -1.719 105 HE ARG 9 HE ARG 9 2.665 -5.217 -2.870 106 HH11 ARG 9 HH11 ARG 9 -0.502 -3.991 -3.677 107 HH12 ARG 9 HH12 ARG 9 -0.582 -4.838 -5.185 108 HH21 ARG 9 HH21 ARG 9 2.561 -6.331 -4.852 109 HH22 ARG 9 HH22 ARG 9 1.156 -6.168 -5.852 110 H LEU 10 HN LEU 10 4.434 0.072 -2.958 111 HA LEU 10 HA LEU 10 6.774 -0.848 -4.433 112 HB2 LEU 10 HB2 LEU 10 5.633 1.925 -4.011 113 HB3 LEU 10 HB1 LEU 10 7.018 1.562 -5.024 114 HG LEU 10 HG LEU 10 4.181 0.638 -5.481 115 HD11 LEU 10 HD11 LEU 10 4.853 2.003 -7.680 116 HD12 LEU 10 HD12 LEU 10 5.831 2.868 -6.494 117 HD13 LEU 10 HD13 LEU 10 4.084 2.750 -6.280 118 HD21 LEU 10 HD21 LEU 10 5.357 0.004 -7.752 119 HD22 LEU 10 HD22 LEU 10 5.342 -1.112 -6.386 120 HD23 LEU 10 HD23 LEU 10 6.775 -0.138 -6.713 121 H LEU 11 HN LEU 11 5.797 0.543 -1.512 122 HA LEU 11 HA LEU 11 8.252 1.613 -0.572 123 HB2 LEU 11 HB2 LEU 11 5.578 0.865 0.517 124 HB3 LEU 11 HB1 LEU 11 6.870 1.264 1.646 125 HG LEU 11 HG LEU 11 5.360 3.009 -0.237 126 HD11 LEU 11 HD11 LEU 11 6.431 3.560 2.520 127 HD12 LEU 11 HD12 LEU 11 4.870 2.797 2.214 128 HD13 LEU 11 HD13 LEU 11 5.176 4.439 1.647 129 HD21 LEU 11 HD21 LEU 11 8.203 3.488 0.637 130 HD22 LEU 11 HD22 LEU 11 7.122 4.781 0.116 131 HD23 LEU 11 HD23 LEU 11 7.555 3.490 -1.004 132 H ARG 12 HN ARG 12 6.469 -1.406 -0.197 133 HA ARG 12 HA ARG 12 7.143 -3.511 0.390 134 HB2 ARG 12 HB2 ARG 12 9.333 -2.596 -0.834 135 HB3 ARG 12 HB1 ARG 12 9.986 -2.730 0.792 136 HG2 ARG 12 HG2 ARG 12 10.090 -4.955 0.688 137 HG3 ARG 12 HG1 ARG 12 8.493 -5.088 -0.050 138 HD2 ARG 12 HD2 ARG 12 11.025 -4.325 -1.501 139 HD3 ARG 12 HD1 ARG 12 10.293 -5.927 -1.512 140 HE ARG 12 HE ARG 12 8.526 -5.094 -2.820 141 HH11 ARG 12 HH11 ARG 12 10.936 -2.646 -2.157 142 HH12 ARG 12 HH12 ARG 12 10.388 -1.597 -3.419 143 HH21 ARG 12 HH21 ARG 12 7.813 -3.707 -4.471 144 HH22 ARG 12 HH22 ARG 12 8.618 -2.195 -4.728 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 -8.076 1.869 1.322 2 H2 ARG 1 HT2 ARG 1 -9.105 2.066 2.679 3 H3 ARG 1 HT3 ARG 1 -9.503 0.931 1.456 4 HA ARG 1 HA ARG 1 -7.813 0.685 3.725 5 HB2 ARG 1 HB2 ARG 1 -9.392 -0.993 1.836 6 HB3 ARG 1 HB1 ARG 1 -8.124 -1.787 2.760 7 HG2 ARG 1 HG2 ARG 1 -9.354 -1.800 4.606 8 HG3 ARG 1 HG1 ARG 1 -9.751 -0.089 4.439 9 HD2 ARG 1 HD2 ARG 1 -11.087 -2.100 2.680 10 HD3 ARG 1 HD1 ARG 1 -11.636 -1.894 4.343 11 HE ARG 1 HE ARG 1 -11.425 0.581 2.914 12 HH11 ARG 1 HH11 ARG 1 -13.479 -2.170 3.541 13 HH12 ARG 1 HH12 ARG 1 -14.941 -1.320 3.171 14 HH21 ARG 1 HH21 ARG 1 -13.347 1.700 2.430 15 HH22 ARG 1 HH22 ARG 1 -14.867 0.877 2.540 16 H ARG 2 HN ARG 2 -7.376 0.438 0.253 17 HA ARG 2 HA ARG 2 -4.666 -0.604 0.626 18 HB2 ARG 2 HB2 ARG 2 -5.814 -0.128 -2.083 19 HB3 ARG 2 HB1 ARG 2 -4.743 -1.408 -1.532 20 HG2 ARG 2 HG2 ARG 2 -6.572 -2.690 -1.678 21 HG3 ARG 2 HG1 ARG 2 -6.993 -1.970 -0.123 22 HD2 ARG 2 HD2 ARG 2 -8.427 -0.386 -1.135 23 HD3 ARG 2 HD1 ARG 2 -7.799 -0.737 -2.744 24 HE ARG 2 HE ARG 2 -8.897 -3.089 -1.768 25 HH11 ARG 2 HH11 ARG 2 -9.984 0.121 -2.597 26 HH12 ARG 2 HH12 ARG 2 -11.574 -0.398 -3.046 27 HH21 ARG 2 HH21 ARG 2 -10.989 -3.774 -2.358 28 HH22 ARG 2 HH22 ARG 2 -12.144 -2.608 -2.910 29 H LEU 3 HN LEU 3 -5.072 2.009 1.469 30 HA LEU 3 HA LEU 3 -4.152 3.800 -0.632 31 HB2 LEU 3 HB2 LEU 3 -3.951 5.345 1.524 32 HB3 LEU 3 HB1 LEU 3 -5.474 5.079 0.703 33 HG LEU 3 HG LEU 3 -4.784 3.232 2.927 34 HD11 LEU 3 HD11 LEU 3 -5.748 4.858 4.549 35 HD12 LEU 3 HD12 LEU 3 -5.597 6.104 3.311 36 HD13 LEU 3 HD13 LEU 3 -4.156 5.302 3.935 37 HD21 LEU 3 HD21 LEU 3 -7.020 2.883 3.003 38 HD22 LEU 3 HD22 LEU 3 -6.927 3.468 1.341 39 HD23 LEU 3 HD23 LEU 3 -7.405 4.564 2.637 40 H ILE 4 HN ILE 4 -3.009 2.884 2.581 41 HA ILE 4 HA ILE 4 -0.357 3.742 2.145 42 HB ILE 4 HB ILE 4 0.185 2.572 4.243 43 HG12 ILE 4 HG12 ILE 4 -2.707 1.936 4.631 44 HG13 ILE 4 HG11 ILE 4 -1.732 0.831 3.668 45 HG21 ILE 4 HG21 ILE 4 -0.882 4.097 5.635 46 HG22 ILE 4 HG22 ILE 4 -2.362 4.086 4.676 47 HG23 ILE 4 HG23 ILE 4 -0.918 4.892 4.062 48 HD11 ILE 4 HD11 ILE 4 -1.517 -0.100 5.739 49 HD12 ILE 4 HD12 ILE 4 -1.587 1.456 6.567 50 HD13 ILE 4 HD13 ILE 4 -0.115 0.970 5.726 51 H ARG 5 HN ARG 5 -2.094 1.107 1.280 52 HA ARG 5 HA ARG 5 -0.105 -0.900 1.265 53 HB2 ARG 5 HB2 ARG 5 -2.833 -0.682 0.028 54 HB3 ARG 5 HB1 ARG 5 -1.857 -2.160 0.044 55 HG2 ARG 5 HG2 ARG 5 -2.527 -0.572 2.492 56 HG3 ARG 5 HG1 ARG 5 -3.479 -1.988 1.932 57 HD2 ARG 5 HD2 ARG 5 -0.692 -2.613 1.837 58 HD3 ARG 5 HD1 ARG 5 -1.084 -1.956 3.441 59 HE ARG 5 HE ARG 5 -2.940 -3.967 2.570 60 HH11 ARG 5 HH11 ARG 5 0.144 -3.434 4.110 61 HH12 ARG 5 HH12 ARG 5 0.120 -4.941 4.963 62 HH21 ARG 5 HH21 ARG 5 -2.977 -5.951 3.691 63 HH22 ARG 5 HH22 ARG 5 -1.653 -6.372 4.725 64 H LEU 6 HN LEU 6 -1.904 0.526 -1.468 65 HA LEU 6 HA LEU 6 -0.264 -0.418 -3.476 66 HB2 LEU 6 HB2 LEU 6 -2.073 1.901 -3.171 67 HB3 LEU 6 HB1 LEU 6 -0.843 2.091 -4.406 68 HG LEU 6 HG LEU 6 -2.995 1.233 -5.283 69 HD11 LEU 6 HD11 LEU 6 -1.834 -0.966 -6.243 70 HD12 LEU 6 HD12 LEU 6 -0.412 -0.182 -5.555 71 HD13 LEU 6 HD13 LEU 6 -1.383 0.657 -6.766 72 HD21 LEU 6 HD21 LEU 6 -3.509 -0.110 -3.215 73 HD22 LEU 6 HD22 LEU 6 -2.351 -1.305 -3.800 74 HD23 LEU 6 HD23 LEU 6 -3.792 -0.936 -4.748 75 H ILE 7 HN ILE 7 0.374 1.675 -0.958 76 HA ILE 7 HA ILE 7 2.665 2.854 -2.126 77 HB ILE 7 HB ILE 7 0.938 3.267 0.256 78 HG12 ILE 7 HG12 ILE 7 1.438 5.715 -0.396 79 HG13 ILE 7 HG11 ILE 7 2.228 5.057 -1.826 80 HG21 ILE 7 HG21 ILE 7 3.086 3.033 1.342 81 HG22 ILE 7 HG22 ILE 7 2.643 4.740 1.332 82 HG23 ILE 7 HG23 ILE 7 3.849 4.137 0.196 83 HD11 ILE 7 HD11 ILE 7 0.239 5.128 -2.798 84 HD12 ILE 7 HD12 ILE 7 -0.581 5.425 -1.265 85 HD13 ILE 7 HD13 ILE 7 -0.218 3.774 -1.766 86 H LEU 8 HN LEU 8 1.708 0.931 0.499 87 HA LEU 8 HA LEU 8 4.189 0.281 1.464 88 HB2 LEU 8 HB2 LEU 8 2.209 0.061 2.725 89 HB3 LEU 8 HB1 LEU 8 1.540 -1.005 1.519 90 HG LEU 8 HG LEU 8 2.235 -2.094 3.685 91 HD11 LEU 8 HD11 LEU 8 2.430 -3.018 1.061 92 HD12 LEU 8 HD12 LEU 8 2.315 -3.984 2.531 93 HD13 LEU 8 HD13 LEU 8 3.896 -3.577 1.866 94 HD21 LEU 8 HD21 LEU 8 4.443 -0.652 3.598 95 HD22 LEU 8 HD22 LEU 8 5.046 -2.054 2.715 96 HD23 LEU 8 HD23 LEU 8 4.417 -2.247 4.352 97 H ARG 9 HN ARG 9 2.663 -0.558 -1.273 98 HA ARG 9 HA ARG 9 3.660 -3.167 -1.740 99 HB2 ARG 9 HB2 ARG 9 2.488 -0.970 -3.374 100 HB3 ARG 9 HB1 ARG 9 2.698 -2.619 -3.979 101 HG2 ARG 9 HG2 ARG 9 1.009 -1.739 -1.627 102 HG3 ARG 9 HG1 ARG 9 0.404 -2.212 -3.233 103 HD2 ARG 9 HD2 ARG 9 1.747 -3.945 -1.171 104 HD3 ARG 9 HD1 ARG 9 0.123 -4.109 -1.837 105 HE ARG 9 HE ARG 9 2.529 -5.157 -2.933 106 HH11 ARG 9 HH11 ARG 9 -0.576 -3.830 -3.821 107 HH12 ARG 9 HH12 ARG 9 -0.630 -4.650 -5.345 108 HH21 ARG 9 HH21 ARG 9 2.458 -6.233 -4.941 109 HH22 ARG 9 HH22 ARG 9 1.089 -6.014 -5.980 110 H LEU 10 HN LEU 10 4.468 0.065 -2.929 111 HA LEU 10 HA LEU 10 6.807 -0.912 -4.363 112 HB2 LEU 10 HB2 LEU 10 5.839 1.920 -3.897 113 HB3 LEU 10 HB1 LEU 10 7.124 1.444 -4.991 114 HG LEU 10 HG LEU 10 4.188 0.813 -5.271 115 HD11 LEU 10 HD11 LEU 10 5.705 2.163 -7.400 116 HD12 LEU 10 HD12 LEU 10 5.457 3.098 -5.926 117 HD13 LEU 10 HD13 LEU 10 4.070 2.455 -6.806 118 HD21 LEU 10 HD21 LEU 10 5.177 -0.007 -7.586 119 HD22 LEU 10 HD22 LEU 10 5.049 -1.084 -6.195 120 HD23 LEU 10 HD23 LEU 10 6.594 -0.327 -6.586 121 H LEU 11 HN LEU 11 5.805 0.511 -1.457 122 HA LEU 11 HA LEU 11 8.264 1.462 -0.424 123 HB2 LEU 11 HB2 LEU 11 5.540 0.770 0.579 124 HB3 LEU 11 HB1 LEU 11 6.813 1.114 1.747 125 HG LEU 11 HG LEU 11 5.408 2.933 -0.151 126 HD11 LEU 11 HD11 LEU 11 5.212 4.340 1.758 127 HD12 LEU 11 HD12 LEU 11 6.385 3.380 2.660 128 HD13 LEU 11 HD13 LEU 11 4.806 2.701 2.265 129 HD21 LEU 11 HD21 LEU 11 8.222 3.330 0.850 130 HD22 LEU 11 HD22 LEU 11 7.197 4.647 0.278 131 HD23 LEU 11 HD23 LEU 11 7.655 3.346 -0.820 132 H ARG 12 HN ARG 12 6.391 -1.509 -0.189 133 HA ARG 12 HA ARG 12 6.969 -3.643 0.383 134 HB2 ARG 12 HB2 ARG 12 9.264 -2.675 -0.727 135 HB3 ARG 12 HB1 ARG 12 9.825 -3.117 0.879 136 HG2 ARG 12 HG2 ARG 12 9.678 -5.313 0.465 137 HG3 ARG 12 HG1 ARG 12 8.168 -5.146 -0.434 138 HD2 ARG 12 HD2 ARG 12 10.888 -4.411 -1.506 139 HD3 ARG 12 HD1 ARG 12 10.076 -5.943 -1.812 140 HE ARG 12 HE ARG 12 8.490 -4.818 -3.138 141 HH11 ARG 12 HH11 ARG 12 10.963 -2.661 -1.925 142 HH12 ARG 12 HH12 ARG 12 10.602 -1.414 -3.069 143 HH21 ARG 12 HH21 ARG 12 8.021 -3.175 -4.628 144 HH22 ARG 12 HH22 ARG 12 8.933 -1.703 -4.601 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 -8.254 1.810 1.365 2 H2 ARG 1 HT2 ARG 1 -7.875 2.340 2.953 3 H3 ARG 1 HT3 ARG 1 -9.414 1.660 2.619 4 HA ARG 1 HA ARG 1 -7.751 0.226 3.779 5 HB2 ARG 1 HB2 ARG 1 -9.360 -0.406 1.340 6 HB3 ARG 1 HB1 ARG 1 -8.377 -1.677 2.055 7 HG2 ARG 1 HG2 ARG 1 -9.747 -1.927 3.810 8 HG3 ARG 1 HG1 ARG 1 -10.032 -0.193 3.966 9 HD2 ARG 1 HD2 ARG 1 -11.234 -1.057 1.546 10 HD3 ARG 1 HD1 ARG 1 -11.711 -2.184 2.814 11 HE ARG 1 HE ARG 1 -12.945 -0.516 3.800 12 HH11 ARG 1 HH11 ARG 1 -10.884 0.872 1.348 13 HH12 ARG 1 HH12 ARG 1 -11.641 2.428 1.416 14 HH21 ARG 1 HH21 ARG 1 -13.939 1.530 3.891 15 HH22 ARG 1 HH22 ARG 1 -13.374 2.802 2.859 16 H ARG 2 HN ARG 2 -7.308 0.479 0.244 17 HA ARG 2 HA ARG 2 -4.594 -0.578 0.571 18 HB2 ARG 2 HB2 ARG 2 -6.086 -0.134 -2.014 19 HB3 ARG 2 HB1 ARG 2 -4.633 -1.093 -1.770 20 HG2 ARG 2 HG2 ARG 2 -5.786 -2.894 -1.131 21 HG3 ARG 2 HG1 ARG 2 -6.883 -1.951 -0.121 22 HD2 ARG 2 HD2 ARG 2 -7.128 -1.786 -3.089 23 HD3 ARG 2 HD1 ARG 2 -7.756 -3.203 -2.255 24 HE ARG 2 HE ARG 2 -9.317 -1.825 -1.137 25 HH11 ARG 2 HH11 ARG 2 -7.412 -0.069 -3.490 26 HH12 ARG 2 HH12 ARG 2 -8.525 1.252 -3.579 27 HH21 ARG 2 HH21 ARG 2 -10.766 -0.082 -1.258 28 HH22 ARG 2 HH22 ARG 2 -10.424 1.246 -2.316 29 H LEU 3 HN LEU 3 -5.118 2.080 1.386 30 HA LEU 3 HA LEU 3 -4.132 3.834 -0.694 31 HB2 LEU 3 HB2 LEU 3 -4.566 5.604 0.779 32 HB3 LEU 3 HB1 LEU 3 -5.879 4.482 1.020 33 HG LEU 3 HG LEU 3 -3.501 4.510 2.858 34 HD11 LEU 3 HD11 LEU 3 -5.971 5.952 3.619 35 HD12 LEU 3 HD12 LEU 3 -4.857 6.764 2.520 36 HD13 LEU 3 HD13 LEU 3 -4.298 6.228 4.104 37 HD21 LEU 3 HD21 LEU 3 -4.630 2.721 3.601 38 HD22 LEU 3 HD22 LEU 3 -6.090 3.161 2.715 39 HD23 LEU 3 HD23 LEU 3 -5.755 3.895 4.283 40 H ILE 4 HN ILE 4 -3.124 2.592 2.419 41 HA ILE 4 HA ILE 4 -0.456 3.606 2.215 42 HB ILE 4 HB ILE 4 -0.029 2.352 4.295 43 HG12 ILE 4 HG12 ILE 4 -2.950 1.683 4.407 44 HG13 ILE 4 HG11 ILE 4 -1.833 0.598 3.586 45 HG21 ILE 4 HG21 ILE 4 -1.034 3.901 5.630 46 HG22 ILE 4 HG22 ILE 4 -2.590 3.761 4.811 47 HG23 ILE 4 HG23 ILE 4 -1.279 4.672 4.063 48 HD11 ILE 4 HD11 ILE 4 -1.736 -0.334 5.631 49 HD12 ILE 4 HD12 ILE 4 -2.165 1.165 6.457 50 HD13 ILE 4 HD13 ILE 4 -0.515 0.913 5.886 51 H ARG 5 HN ARG 5 -2.156 1.009 1.160 52 HA ARG 5 HA ARG 5 -0.151 -0.998 1.168 53 HB2 ARG 5 HB2 ARG 5 -2.836 -0.785 -0.168 54 HB3 ARG 5 HB1 ARG 5 -1.855 -2.257 -0.096 55 HG2 ARG 5 HG2 ARG 5 -2.691 -0.661 2.301 56 HG3 ARG 5 HG1 ARG 5 -3.561 -2.113 1.705 57 HD2 ARG 5 HD2 ARG 5 -0.768 -2.668 1.776 58 HD3 ARG 5 HD1 ARG 5 -1.245 -1.965 3.337 59 HE ARG 5 HE ARG 5 -3.013 -4.051 2.451 60 HH11 ARG 5 HH11 ARG 5 -0.026 -3.382 4.128 61 HH12 ARG 5 HH12 ARG 5 -0.067 -4.850 5.046 62 HH21 ARG 5 HH21 ARG 5 -3.069 -5.982 3.657 63 HH22 ARG 5 HH22 ARG 5 -1.795 -6.327 4.778 64 H LEU 6 HN LEU 6 -1.897 0.455 -1.594 65 HA LEU 6 HA LEU 6 -0.176 -0.431 -3.563 66 HB2 LEU 6 HB2 LEU 6 -2.116 1.742 -3.302 67 HB3 LEU 6 HB1 LEU 6 -0.794 2.155 -4.379 68 HG LEU 6 HG LEU 6 -2.771 1.193 -5.538 69 HD11 LEU 6 HD11 LEU 6 -1.325 -0.735 -6.626 70 HD12 LEU 6 HD12 LEU 6 -0.045 0.030 -5.685 71 HD13 LEU 6 HD13 LEU 6 -0.944 0.969 -6.877 72 HD21 LEU 6 HD21 LEU 6 -2.938 -0.534 -3.484 73 HD22 LEU 6 HD22 LEU 6 -2.080 -1.534 -4.657 74 HD23 LEU 6 HD23 LEU 6 -3.645 -0.834 -5.072 75 H ILE 7 HN ILE 7 0.344 1.652 -0.999 76 HA ILE 7 HA ILE 7 2.639 2.881 -2.093 77 HB ILE 7 HB ILE 7 0.881 3.219 0.280 78 HG12 ILE 7 HG12 ILE 7 1.232 5.663 -0.319 79 HG13 ILE 7 HG11 ILE 7 2.187 5.125 -1.697 80 HG21 ILE 7 HG21 ILE 7 3.002 3.031 1.395 81 HG22 ILE 7 HG22 ILE 7 2.581 4.743 1.350 82 HG23 ILE 7 HG23 ILE 7 3.787 4.101 0.234 83 HD11 ILE 7 HD11 ILE 7 0.354 4.834 -2.891 84 HD12 ILE 7 HD12 ILE 7 -0.590 5.475 -1.545 85 HD13 ILE 7 HD13 ILE 7 -0.307 3.739 -1.677 86 H LEU 8 HN LEU 8 1.679 0.928 0.510 87 HA LEU 8 HA LEU 8 4.170 0.302 1.462 88 HB2 LEU 8 HB2 LEU 8 2.340 0.026 2.841 89 HB3 LEU 8 HB1 LEU 8 1.472 -0.832 1.596 90 HG LEU 8 HG LEU 8 2.149 -2.222 3.575 91 HD11 LEU 8 HD11 LEU 8 2.143 -2.871 0.870 92 HD12 LEU 8 HD12 LEU 8 2.012 -3.980 2.235 93 HD13 LEU 8 HD13 LEU 8 3.589 -3.641 1.523 94 HD21 LEU 8 HD21 LEU 8 4.565 -0.984 3.326 95 HD22 LEU 8 HD22 LEU 8 4.885 -2.557 2.596 96 HD23 LEU 8 HD23 LEU 8 4.271 -2.460 4.246 97 H ARG 9 HN ARG 9 2.650 -0.550 -1.266 98 HA ARG 9 HA ARG 9 3.651 -3.159 -1.721 99 HB2 ARG 9 HB2 ARG 9 2.490 -0.973 -3.376 100 HB3 ARG 9 HB1 ARG 9 2.714 -2.622 -3.974 101 HG2 ARG 9 HG2 ARG 9 0.997 -1.746 -1.645 102 HG3 ARG 9 HG1 ARG 9 0.408 -2.221 -3.257 103 HD2 ARG 9 HD2 ARG 9 1.750 -3.952 -1.190 104 HD3 ARG 9 HD1 ARG 9 0.118 -4.105 -1.838 105 HE ARG 9 HE ARG 9 2.504 -5.167 -2.963 106 HH11 ARG 9 HH11 ARG 9 -0.612 -3.835 -3.798 107 HH12 ARG 9 HH12 ARG 9 -0.695 -4.656 -5.320 108 HH21 ARG 9 HH21 ARG 9 2.398 -6.245 -4.964 109 HH22 ARG 9 HH22 ARG 9 1.013 -6.027 -5.981 110 H LEU 10 HN LEU 10 4.467 0.067 -2.923 111 HA LEU 10 HA LEU 10 6.822 -0.927 -4.322 112 HB2 LEU 10 HB2 LEU 10 5.804 1.898 -3.913 113 HB3 LEU 10 HB1 LEU 10 7.154 1.447 -4.938 114 HG LEU 10 HG LEU 10 4.262 0.691 -5.359 115 HD11 LEU 10 HD11 LEU 10 6.038 2.802 -6.424 116 HD12 LEU 10 HD12 LEU 10 4.293 2.806 -6.165 117 HD13 LEU 10 HD13 LEU 10 4.973 1.994 -7.575 118 HD21 LEU 10 HD21 LEU 10 5.354 -0.041 -7.631 119 HD22 LEU 10 HD22 LEU 10 5.322 -1.134 -6.248 120 HD23 LEU 10 HD23 LEU 10 6.791 -0.235 -6.627 121 H LEU 11 HN LEU 11 5.788 0.546 -1.448 122 HA LEU 11 HA LEU 11 8.238 1.503 -0.403 123 HB2 LEU 11 HB2 LEU 11 5.512 0.810 0.591 124 HB3 LEU 11 HB1 LEU 11 6.778 1.159 1.765 125 HG LEU 11 HG LEU 11 5.383 2.968 -0.148 126 HD11 LEU 11 HD11 LEU 11 6.342 3.415 2.671 127 HD12 LEU 11 HD12 LEU 11 4.761 2.751 2.258 128 HD13 LEU 11 HD13 LEU 11 5.188 4.388 1.759 129 HD21 LEU 11 HD21 LEU 11 8.189 3.383 0.875 130 HD22 LEU 11 HD22 LEU 11 7.164 4.688 0.278 131 HD23 LEU 11 HD23 LEU 11 7.641 3.378 -0.802 132 H ARG 12 HN ARG 12 6.371 -1.472 -0.166 133 HA ARG 12 HA ARG 12 6.963 -3.606 0.399 134 HB2 ARG 12 HB2 ARG 12 9.254 -2.640 -0.679 135 HB3 ARG 12 HB1 ARG 12 9.806 -3.013 0.947 136 HG2 ARG 12 HG2 ARG 12 9.753 -5.216 0.590 137 HG3 ARG 12 HG1 ARG 12 8.216 -5.137 -0.274 138 HD2 ARG 12 HD2 ARG 12 10.912 -4.416 -1.422 139 HD3 ARG 12 HD1 ARG 12 10.056 -5.929 -1.701 140 HE ARG 12 HE ARG 12 8.494 -4.784 -3.029 141 HH11 ARG 12 HH11 ARG 12 10.974 -2.639 -1.809 142 HH12 ARG 12 HH12 ARG 12 10.642 -1.402 -2.972 143 HH21 ARG 12 HH21 ARG 12 8.070 -3.154 -4.554 144 HH22 ARG 12 HH22 ARG 12 8.999 -1.692 -4.527 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 -8.195 1.866 0.943 2 H2 ARG 1 HT2 ARG 1 -8.772 2.335 2.489 3 H3 ARG 1 HT3 ARG 1 -9.763 1.396 1.451 4 HA ARG 1 HA ARG 1 -8.239 0.452 3.422 5 HB2 ARG 1 HB2 ARG 1 -9.492 -0.648 0.947 6 HB3 ARG 1 HB1 ARG 1 -8.488 -1.723 1.911 7 HG2 ARG 1 HG2 ARG 1 -10.010 -1.887 3.548 8 HG3 ARG 1 HG1 ARG 1 -10.455 -0.182 3.447 9 HD2 ARG 1 HD2 ARG 1 -11.575 -0.867 1.211 10 HD3 ARG 1 HD1 ARG 1 -11.478 -2.504 1.857 11 HE ARG 1 HE ARG 1 -13.175 -1.995 3.303 12 HH11 ARG 1 HH11 ARG 1 -11.866 0.975 2.019 13 HH12 ARG 1 HH12 ARG 1 -13.099 1.968 2.721 14 HH21 ARG 1 HH21 ARG 1 -14.799 -0.690 4.225 15 HH22 ARG 1 HH22 ARG 1 -14.764 1.023 3.973 16 H ARG 2 HN ARG 2 -7.310 0.384 -0.019 17 HA ARG 2 HA ARG 2 -4.641 -0.536 0.757 18 HB2 ARG 2 HB2 ARG 2 -5.641 -0.236 -2.065 19 HB3 ARG 2 HB1 ARG 2 -4.332 -1.248 -1.474 20 HG2 ARG 2 HG2 ARG 2 -5.709 -2.956 -1.199 21 HG3 ARG 2 HG1 ARG 2 -6.772 -1.991 -0.174 22 HD2 ARG 2 HD2 ARG 2 -7.029 -1.306 -2.986 23 HD3 ARG 2 HD1 ARG 2 -7.366 -3.008 -2.681 24 HE ARG 2 HE ARG 2 -9.219 -2.406 -1.418 25 HH11 ARG 2 HH11 ARG 2 -7.458 0.437 -2.436 26 HH12 ARG 2 HH12 ARG 2 -8.740 1.525 -2.030 27 HH21 ARG 2 HH21 ARG 2 -10.901 -0.971 -0.885 28 HH22 ARG 2 HH22 ARG 2 -10.693 0.728 -1.149 29 H LEU 3 HN LEU 3 -4.977 1.993 1.542 30 HA LEU 3 HA LEU 3 -4.029 3.824 -0.515 31 HB2 LEU 3 HB2 LEU 3 -3.849 5.323 1.682 32 HB3 LEU 3 HB1 LEU 3 -5.357 5.093 0.822 33 HG LEU 3 HG LEU 3 -4.709 3.213 3.042 34 HD11 LEU 3 HD11 LEU 3 -5.836 4.848 4.600 35 HD12 LEU 3 HD12 LEU 3 -5.526 6.085 3.381 36 HD13 LEU 3 HD13 LEU 3 -4.178 5.235 4.138 37 HD21 LEU 3 HD21 LEU 3 -6.725 2.600 2.233 38 HD22 LEU 3 HD22 LEU 3 -7.065 4.197 1.567 39 HD23 LEU 3 HD23 LEU 3 -7.296 3.892 3.288 40 H ILE 4 HN ILE 4 -2.952 2.819 2.686 41 HA ILE 4 HA ILE 4 -0.272 3.642 2.327 42 HB ILE 4 HB ILE 4 0.183 2.377 4.413 43 HG12 ILE 4 HG12 ILE 4 -2.713 1.947 4.860 44 HG13 ILE 4 HG11 ILE 4 -1.938 0.850 3.721 45 HG21 ILE 4 HG21 ILE 4 -0.616 4.050 5.709 46 HG22 ILE 4 HG22 ILE 4 -2.246 3.937 5.045 47 HG23 ILE 4 HG23 ILE 4 -0.980 4.767 4.139 48 HD11 ILE 4 HD11 ILE 4 -1.424 -0.355 5.518 49 HD12 ILE 4 HD12 ILE 4 -1.747 0.983 6.620 50 HD13 ILE 4 HD13 ILE 4 -0.181 0.860 5.816 51 H ARG 5 HN ARG 5 -2.047 1.051 1.367 52 HA ARG 5 HA ARG 5 -0.050 -0.971 1.346 53 HB2 ARG 5 HB2 ARG 5 -2.799 -0.772 0.148 54 HB3 ARG 5 HB1 ARG 5 -1.815 -2.244 0.168 55 HG2 ARG 5 HG2 ARG 5 -2.494 -0.639 2.603 56 HG3 ARG 5 HG1 ARG 5 -3.419 -2.079 2.063 57 HD2 ARG 5 HD2 ARG 5 -0.641 -2.687 1.962 58 HD3 ARG 5 HD1 ARG 5 -0.995 -1.957 3.541 59 HE ARG 5 HE ARG 5 -2.334 -3.780 4.088 60 HH11 ARG 5 HH11 ARG 5 -1.217 -4.033 0.785 61 HH12 ARG 5 HH12 ARG 5 -1.683 -5.692 0.629 62 HH21 ARG 5 HH21 ARG 5 -2.947 -5.958 3.873 63 HH22 ARG 5 HH22 ARG 5 -2.665 -6.784 2.377 64 H LEU 6 HN LEU 6 -1.916 0.430 -1.357 65 HA LEU 6 HA LEU 6 -0.291 -0.498 -3.386 66 HB2 LEU 6 HB2 LEU 6 -2.192 1.719 -3.068 67 HB3 LEU 6 HB1 LEU 6 -0.944 2.047 -4.255 68 HG LEU 6 HG LEU 6 -2.982 1.106 -5.265 69 HD11 LEU 6 HD11 LEU 6 -1.053 -1.091 -5.632 70 HD12 LEU 6 HD12 LEU 6 -0.431 0.539 -5.892 71 HD13 LEU 6 HD13 LEU 6 -1.816 -0.035 -6.820 72 HD21 LEU 6 HD21 LEU 6 -2.313 -1.431 -3.787 73 HD22 LEU 6 HD22 LEU 6 -3.697 -1.125 -4.836 74 HD23 LEU 6 HD23 LEU 6 -3.572 -0.305 -3.280 75 H ILE 7 HN ILE 7 0.350 1.634 -0.893 76 HA ILE 7 HA ILE 7 2.592 2.838 -2.121 77 HB ILE 7 HB ILE 7 0.926 3.247 0.302 78 HG12 ILE 7 HG12 ILE 7 1.217 5.656 -0.357 79 HG13 ILE 7 HG11 ILE 7 2.219 5.133 -1.707 80 HG21 ILE 7 HG21 ILE 7 3.090 3.055 1.345 81 HG22 ILE 7 HG22 ILE 7 2.655 4.764 1.304 82 HG23 ILE 7 HG23 ILE 7 3.830 4.125 0.154 83 HD11 ILE 7 HD11 ILE 7 0.421 4.808 -2.944 84 HD12 ILE 7 HD12 ILE 7 -0.573 5.410 -1.618 85 HD13 ILE 7 HD13 ILE 7 -0.236 3.685 -1.753 86 H LEU 8 HN LEU 8 1.752 0.938 0.562 87 HA LEU 8 HA LEU 8 4.282 0.346 1.427 88 HB2 LEU 8 HB2 LEU 8 2.574 0.038 2.920 89 HB3 LEU 8 HB1 LEU 8 1.586 -0.737 1.708 90 HG LEU 8 HG LEU 8 2.356 -2.213 3.610 91 HD11 LEU 8 HD11 LEU 8 1.957 -2.784 0.951 92 HD12 LEU 8 HD12 LEU 8 2.051 -3.956 2.265 93 HD13 LEU 8 HD13 LEU 8 3.487 -3.584 1.312 94 HD21 LEU 8 HD21 LEU 8 4.907 -2.874 2.500 95 HD22 LEU 8 HD22 LEU 8 4.504 -2.361 4.138 96 HD23 LEU 8 HD23 LEU 8 4.870 -1.157 2.902 97 H ARG 9 HN ARG 9 2.665 -0.562 -1.227 98 HA ARG 9 HA ARG 9 3.669 -3.170 -1.678 99 HB2 ARG 9 HB2 ARG 9 2.431 -1.012 -3.312 100 HB3 ARG 9 HB1 ARG 9 2.650 -2.664 -3.903 101 HG2 ARG 9 HG2 ARG 9 1.001 -1.775 -1.529 102 HG3 ARG 9 HG1 ARG 9 0.369 -2.294 -3.110 103 HD2 ARG 9 HD2 ARG 9 1.786 -3.954 -1.038 104 HD3 ARG 9 HD1 ARG 9 0.153 -4.162 -1.671 105 HE ARG 9 HE ARG 9 2.562 -5.181 -2.792 106 HH11 ARG 9 HH11 ARG 9 -0.599 -3.959 -3.628 107 HH12 ARG 9 HH12 ARG 9 -0.678 -4.829 -5.123 108 HH21 ARG 9 HH21 ARG 9 2.460 -6.325 -4.757 109 HH22 ARG 9 HH22 ARG 9 1.060 -6.173 -5.764 110 H LEU 10 HN LEU 10 4.392 0.034 -2.996 111 HA LEU 10 HA LEU 10 6.719 -0.965 -4.440 112 HB2 LEU 10 HB2 LEU 10 5.641 1.845 -4.113 113 HB3 LEU 10 HB1 LEU 10 6.986 1.397 -5.146 114 HG LEU 10 HG LEU 10 4.104 0.569 -5.486 115 HD11 LEU 10 HD11 LEU 10 5.799 2.134 -7.401 116 HD12 LEU 10 HD12 LEU 10 4.886 2.923 -6.114 117 HD13 LEU 10 HD13 LEU 10 4.043 1.980 -7.344 118 HD21 LEU 10 HD21 LEU 10 5.072 -0.338 -7.695 119 HD22 LEU 10 HD22 LEU 10 5.274 -1.297 -6.229 120 HD23 LEU 10 HD23 LEU 10 6.617 -0.333 -6.844 121 H LEU 11 HN LEU 11 5.789 0.369 -1.514 122 HA LEU 11 HA LEU 11 8.284 1.477 -0.653 123 HB2 LEU 11 HB2 LEU 11 5.584 0.882 0.464 124 HB3 LEU 11 HB1 LEU 11 6.891 1.279 1.578 125 HG LEU 11 HG LEU 11 5.452 2.993 -0.385 126 HD11 LEU 11 HD11 LEU 11 5.357 4.529 1.440 127 HD12 LEU 11 HD12 LEU 11 6.535 3.592 2.360 128 HD13 LEU 11 HD13 LEU 11 4.929 2.932 2.053 129 HD21 LEU 11 HD21 LEU 11 8.311 3.399 0.473 130 HD22 LEU 11 HD22 LEU 11 7.283 4.710 -0.105 131 HD23 LEU 11 HD23 LEU 11 7.663 3.355 -1.168 132 H ARG 12 HN ARG 12 6.420 -1.461 -0.234 133 HA ARG 12 HA ARG 12 7.042 -3.580 0.378 134 HB2 ARG 12 HB2 ARG 12 9.465 -2.460 -0.438 135 HB3 ARG 12 HB1 ARG 12 9.805 -3.128 1.151 136 HG2 ARG 12 HG2 ARG 12 9.438 -5.284 0.483 137 HG3 ARG 12 HG1 ARG 12 8.334 -4.814 -0.808 138 HD2 ARG 12 HD2 ARG 12 11.321 -4.854 -0.777 139 HD3 ARG 12 HD1 ARG 12 10.207 -5.487 -1.986 140 HE ARG 12 HE ARG 12 11.382 -2.923 -1.967 141 HH11 ARG 12 HH11 ARG 12 8.370 -4.529 -2.700 142 HH12 ARG 12 HH12 ARG 12 7.857 -3.318 -3.825 143 HH21 ARG 12 HH21 ARG 12 10.705 -1.334 -3.449 144 HH22 ARG 12 HH22 ARG 12 9.179 -1.508 -4.250 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 -7.973 1.827 1.620 2 H2 ARG 1 HT2 ARG 1 -8.480 2.043 3.244 3 H3 ARG 1 HT3 ARG 1 -9.534 1.315 2.104 4 HA ARG 1 HA ARG 1 -7.886 0.053 3.825 5 HB2 ARG 1 HB2 ARG 1 -9.408 -0.679 1.351 6 HB3 ARG 1 HB1 ARG 1 -8.441 -1.903 2.162 7 HG2 ARG 1 HG2 ARG 1 -10.045 -2.234 3.646 8 HG3 ARG 1 HG1 ARG 1 -10.003 -0.533 4.111 9 HD2 ARG 1 HD2 ARG 1 -11.341 -0.455 1.723 10 HD3 ARG 1 HD1 ARG 1 -11.901 -1.976 2.418 11 HE ARG 1 HE ARG 1 -11.995 0.171 4.297 12 HH11 ARG 1 HH11 ARG 1 -13.687 -1.287 1.614 13 HH12 ARG 1 HH12 ARG 1 -15.237 -0.695 2.109 14 HH21 ARG 1 HH21 ARG 1 -14.033 0.949 4.948 15 HH22 ARG 1 HH22 ARG 1 -15.434 0.574 4.000 16 H ARG 2 HN ARG 2 -7.302 0.533 0.345 17 HA ARG 2 HA ARG 2 -4.579 -0.518 0.743 18 HB2 ARG 2 HB2 ARG 2 -5.887 -0.230 -1.946 19 HB3 ARG 2 HB1 ARG 2 -4.551 -1.272 -1.478 20 HG2 ARG 2 HG2 ARG 2 -6.284 -2.770 -1.692 21 HG3 ARG 2 HG1 ARG 2 -6.314 -2.425 0.038 22 HD2 ARG 2 HD2 ARG 2 -8.387 -1.636 -0.098 23 HD3 ARG 2 HD1 ARG 2 -7.926 -0.516 -1.379 24 HE ARG 2 HE ARG 2 -9.270 -3.035 -1.679 25 HH11 ARG 2 HH11 ARG 2 -7.230 -0.692 -3.268 26 HH12 ARG 2 HH12 ARG 2 -7.732 -1.148 -4.860 27 HH21 ARG 2 HH21 ARG 2 -9.936 -3.632 -3.773 28 HH22 ARG 2 HH22 ARG 2 -9.268 -2.816 -5.147 29 H LEU 3 HN LEU 3 -5.079 2.089 1.498 30 HA LEU 3 HA LEU 3 -4.273 3.851 -0.667 31 HB2 LEU 3 HB2 LEU 3 -4.170 5.519 1.329 32 HB3 LEU 3 HB1 LEU 3 -5.721 4.995 0.713 33 HG LEU 3 HG LEU 3 -4.559 3.467 2.987 34 HD11 LEU 3 HD11 LEU 3 -5.723 5.172 4.504 35 HD12 LEU 3 HD12 LEU 3 -5.559 6.285 3.146 36 HD13 LEU 3 HD13 LEU 3 -4.122 5.572 3.881 37 HD21 LEU 3 HD21 LEU 3 -6.590 2.586 2.871 38 HD22 LEU 3 HD22 LEU 3 -7.085 3.767 1.658 39 HD23 LEU 3 HD23 LEU 3 -7.252 4.141 3.374 40 H ILE 4 HN ILE 4 -3.041 2.818 2.458 41 HA ILE 4 HA ILE 4 -0.417 3.833 2.025 42 HB ILE 4 HB ILE 4 0.163 2.677 4.125 43 HG12 ILE 4 HG12 ILE 4 -2.737 1.930 4.386 44 HG13 ILE 4 HG11 ILE 4 -1.597 0.836 3.607 45 HG21 ILE 4 HG21 ILE 4 -0.949 4.160 5.532 46 HG22 ILE 4 HG22 ILE 4 -2.424 4.121 4.566 47 HG23 ILE 4 HG23 ILE 4 -0.998 4.968 3.965 48 HD11 ILE 4 HD11 ILE 4 -1.784 0.168 5.865 49 HD12 ILE 4 HD12 ILE 4 -1.561 1.819 6.444 50 HD13 ILE 4 HD13 ILE 4 -0.216 0.957 5.697 51 H ARG 5 HN ARG 5 -2.105 1.150 1.201 52 HA ARG 5 HA ARG 5 -0.091 -0.827 1.166 53 HB2 ARG 5 HB2 ARG 5 -2.830 -0.671 -0.061 54 HB3 ARG 5 HB1 ARG 5 -1.830 -2.131 -0.018 55 HG2 ARG 5 HG2 ARG 5 -2.537 -0.508 2.399 56 HG3 ARG 5 HG1 ARG 5 -3.450 -1.961 1.867 57 HD2 ARG 5 HD2 ARG 5 -0.651 -2.526 1.788 58 HD3 ARG 5 HD1 ARG 5 -1.050 -1.826 3.373 59 HE ARG 5 HE ARG 5 -2.832 -3.937 2.531 60 HH11 ARG 5 HH11 ARG 5 0.125 -3.170 4.221 61 HH12 ARG 5 HH12 ARG 5 0.114 -4.625 5.159 62 HH21 ARG 5 HH21 ARG 5 -2.849 -5.852 3.768 63 HH22 ARG 5 HH22 ARG 5 -1.572 -6.149 4.901 64 H LEU 6 HN LEU 6 -1.887 0.590 -1.596 65 HA LEU 6 HA LEU 6 -0.228 -0.394 -3.574 66 HB2 LEU 6 HB2 LEU 6 -2.091 1.845 -3.326 67 HB3 LEU 6 HB1 LEU 6 -0.760 2.221 -4.403 68 HG LEU 6 HG LEU 6 -2.768 1.329 -5.561 69 HD11 LEU 6 HD11 LEU 6 -0.694 -0.742 -5.976 70 HD12 LEU 6 HD12 LEU 6 -0.209 0.943 -6.171 71 HD13 LEU 6 HD13 LEU 6 -1.526 0.285 -7.143 72 HD21 LEU 6 HD21 LEU 6 -3.178 -0.321 -3.588 73 HD22 LEU 6 HD22 LEU 6 -2.099 -1.379 -4.498 74 HD23 LEU 6 HD23 LEU 6 -3.592 -0.797 -5.235 75 H ILE 7 HN ILE 7 0.379 1.701 -1.050 76 HA ILE 7 HA ILE 7 2.737 2.826 -2.142 77 HB ILE 7 HB ILE 7 0.986 3.267 0.230 78 HG12 ILE 7 HG12 ILE 7 1.380 5.691 -0.468 79 HG13 ILE 7 HG11 ILE 7 2.256 5.066 -1.862 80 HG21 ILE 7 HG21 ILE 7 3.164 3.078 1.278 81 HG22 ILE 7 HG22 ILE 7 2.691 4.777 1.254 82 HG23 ILE 7 HG23 ILE 7 3.884 4.177 0.100 83 HD11 ILE 7 HD11 ILE 7 0.357 4.810 -2.954 84 HD12 ILE 7 HD12 ILE 7 -0.516 5.469 -1.570 85 HD13 ILE 7 HD13 ILE 7 -0.246 3.730 -1.697 86 H LEU 8 HN LEU 8 1.631 0.877 0.402 87 HA LEU 8 HA LEU 8 4.039 0.172 1.501 88 HB2 LEU 8 HB2 LEU 8 1.491 -0.141 2.069 89 HB3 LEU 8 HB1 LEU 8 1.819 -1.733 1.433 90 HG LEU 8 HG LEU 8 1.957 -1.574 3.925 91 HD11 LEU 8 HD11 LEU 8 3.407 -3.083 2.240 92 HD12 LEU 8 HD12 LEU 8 3.505 -3.211 3.997 93 HD13 LEU 8 HD13 LEU 8 4.704 -2.266 3.112 94 HD21 LEU 8 HD21 LEU 8 4.496 -0.035 3.422 95 HD22 LEU 8 HD22 LEU 8 3.771 -0.447 4.975 96 HD23 LEU 8 HD23 LEU 8 2.976 0.714 3.912 97 H ARG 9 HN ARG 9 2.676 -0.570 -1.347 98 HA ARG 9 HA ARG 9 3.712 -3.169 -1.809 99 HB2 ARG 9 HB2 ARG 9 2.543 -0.985 -3.462 100 HB3 ARG 9 HB1 ARG 9 2.758 -2.643 -4.039 101 HG2 ARG 9 HG2 ARG 9 1.046 -1.728 -1.714 102 HG3 ARG 9 HG1 ARG 9 0.453 -2.228 -3.319 103 HD2 ARG 9 HD2 ARG 9 1.802 -3.923 -1.227 104 HD3 ARG 9 HD1 ARG 9 0.170 -4.093 -1.872 105 HE ARG 9 HE ARG 9 2.564 -5.164 -2.979 106 HH11 ARG 9 HH11 ARG 9 -0.567 -3.874 -3.828 107 HH12 ARG 9 HH12 ARG 9 -0.652 -4.730 -5.330 108 HH21 ARG 9 HH21 ARG 9 2.452 -6.293 -4.958 109 HH22 ARG 9 HH22 ARG 9 1.061 -6.102 -5.972 110 H LEU 10 HN LEU 10 4.511 0.095 -2.933 111 HA LEU 10 HA LEU 10 6.890 -0.857 -4.322 112 HB2 LEU 10 HB2 LEU 10 5.878 1.961 -3.858 113 HB3 LEU 10 HB1 LEU 10 7.238 1.528 -4.876 114 HG LEU 10 HG LEU 10 4.350 0.789 -5.358 115 HD11 LEU 10 HD11 LEU 10 6.143 2.931 -6.355 116 HD12 LEU 10 HD12 LEU 10 4.405 2.955 -6.051 117 HD13 LEU 10 HD13 LEU 10 5.036 2.182 -7.506 118 HD21 LEU 10 HD21 LEU 10 5.499 0.170 -7.651 119 HD22 LEU 10 HD22 LEU 10 5.409 -0.990 -6.325 120 HD23 LEU 10 HD23 LEU 10 6.899 -0.091 -6.610 121 H LEU 11 HN LEU 11 5.812 0.458 -1.406 122 HA LEU 11 HA LEU 11 8.236 1.435 -0.306 123 HB2 LEU 11 HB2 LEU 11 5.498 0.695 0.623 124 HB3 LEU 11 HB1 LEU 11 6.745 1.001 1.830 125 HG LEU 11 HG LEU 11 5.390 2.884 -0.041 126 HD11 LEU 11 HD11 LEU 11 6.291 3.257 2.804 127 HD12 LEU 11 HD12 LEU 11 4.735 2.557 2.358 128 HD13 LEU 11 HD13 LEU 11 5.119 4.217 1.900 129 HD21 LEU 11 HD21 LEU 11 8.173 3.248 1.055 130 HD22 LEU 11 HD22 LEU 11 7.163 4.582 0.497 131 HD23 LEU 11 HD23 LEU 11 7.656 3.318 -0.630 132 H ARG 12 HN ARG 12 6.371 -1.558 -0.070 133 HA ARG 12 HA ARG 12 7.009 -3.701 0.434 134 HB2 ARG 12 HB2 ARG 12 9.335 -2.630 -0.546 135 HB3 ARG 12 HB1 ARG 12 9.827 -3.146 1.060 136 HG2 ARG 12 HG2 ARG 12 9.748 -5.314 0.522 137 HG3 ARG 12 HG1 ARG 12 8.258 -5.132 -0.406 138 HD2 ARG 12 HD2 ARG 12 10.990 -4.301 -1.374 139 HD3 ARG 12 HD1 ARG 12 10.216 -5.833 -1.768 140 HE ARG 12 HE ARG 12 8.654 -4.686 -3.096 141 HH11 ARG 12 HH11 ARG 12 11.025 -2.525 -1.702 142 HH12 ARG 12 HH12 ARG 12 10.663 -1.234 -2.794 143 HH21 ARG 12 HH21 ARG 12 8.185 -2.984 -4.523 144 HH22 ARG 12 HH22 ARG 12 9.053 -1.491 -4.392 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 -8.508 1.454 0.591 2 H2 ARG 1 HT2 ARG 1 -8.695 2.235 2.107 3 H3 ARG 1 HT3 ARG 1 -9.952 1.244 1.490 4 HA ARG 1 HA ARG 1 -8.451 0.336 3.290 5 HB2 ARG 1 HB2 ARG 1 -9.626 -0.817 0.871 6 HB3 ARG 1 HB1 ARG 1 -8.361 -1.823 1.563 7 HG2 ARG 1 HG2 ARG 1 -10.206 -2.625 2.649 8 HG3 ARG 1 HG1 ARG 1 -9.652 -1.403 3.795 9 HD2 ARG 1 HD2 ARG 1 -11.638 -0.711 1.664 10 HD3 ARG 1 HD1 ARG 1 -12.160 -1.493 3.156 11 HE ARG 1 HE ARG 1 -10.527 0.834 3.580 12 HH11 ARG 1 HH11 ARG 1 -13.776 -0.320 3.042 13 HH12 ARG 1 HH12 ARG 1 -14.521 1.058 3.780 14 HH21 ARG 1 HH21 ARG 1 -11.505 2.646 4.552 15 HH22 ARG 1 HH22 ARG 1 -13.232 2.742 4.637 16 H ARG 2 HN ARG 2 -7.224 0.106 -0.056 17 HA ARG 2 HA ARG 2 -4.563 -0.494 1.005 18 HB2 ARG 2 HB2 ARG 2 -5.110 -0.440 -1.926 19 HB3 ARG 2 HB1 ARG 2 -4.059 -1.503 -1.002 20 HG2 ARG 2 HG2 ARG 2 -5.635 -3.045 -1.317 21 HG3 ARG 2 HG1 ARG 2 -6.537 -2.188 -0.066 22 HD2 ARG 2 HD2 ARG 2 -6.986 -0.822 -2.498 23 HD3 ARG 2 HD1 ARG 2 -7.178 -2.543 -2.830 24 HE ARG 2 HE ARG 2 -8.622 -2.214 -0.582 25 HH11 ARG 2 HH11 ARG 2 -8.581 -0.499 -3.622 26 HH12 ARG 2 HH12 ARG 2 -10.256 -0.066 -3.542 27 HH21 ARG 2 HH21 ARG 2 -10.826 -1.645 -0.478 28 HH22 ARG 2 HH22 ARG 2 -11.529 -0.715 -1.758 29 H LEU 3 HN LEU 3 -4.923 1.963 1.666 30 HA LEU 3 HA LEU 3 -4.180 3.808 -0.458 31 HB2 LEU 3 HB2 LEU 3 -3.990 5.361 1.688 32 HB3 LEU 3 HB1 LEU 3 -5.528 5.003 0.931 33 HG LEU 3 HG LEU 3 -4.626 3.217 3.135 34 HD11 LEU 3 HD11 LEU 3 -4.918 4.674 4.834 35 HD12 LEU 3 HD12 LEU 3 -6.105 5.635 3.952 36 HD13 LEU 3 HD13 LEU 3 -4.385 5.838 3.621 37 HD21 LEU 3 HD21 LEU 3 -6.661 2.492 2.477 38 HD22 LEU 3 HD22 LEU 3 -7.128 4.060 1.821 39 HD23 LEU 3 HD23 LEU 3 -7.219 3.768 3.558 40 H ILE 4 HN ILE 4 -2.879 2.931 2.701 41 HA ILE 4 HA ILE 4 -0.273 3.898 2.147 42 HB ILE 4 HB ILE 4 0.371 2.806 4.270 43 HG12 ILE 4 HG12 ILE 4 -2.536 2.118 4.629 44 HG13 ILE 4 HG11 ILE 4 -1.419 0.970 3.898 45 HG21 ILE 4 HG21 ILE 4 -0.509 4.471 5.540 46 HG22 ILE 4 HG22 ILE 4 -2.143 4.233 4.921 47 HG23 ILE 4 HG23 ILE 4 -0.948 5.090 3.948 48 HD11 ILE 4 HD11 ILE 4 -1.157 0.280 6.011 49 HD12 ILE 4 HD12 ILE 4 -1.708 1.811 6.691 50 HD13 ILE 4 HD13 ILE 4 -0.048 1.647 6.119 51 H ARG 5 HN ARG 5 -1.964 1.176 1.475 52 HA ARG 5 HA ARG 5 0.087 -0.776 1.442 53 HB2 ARG 5 HB2 ARG 5 -2.721 -0.699 0.369 54 HB3 ARG 5 HB1 ARG 5 -1.698 -2.144 0.384 55 HG2 ARG 5 HG2 ARG 5 -2.270 -0.470 2.800 56 HG3 ARG 5 HG1 ARG 5 -3.201 -1.943 2.364 57 HD2 ARG 5 HD2 ARG 5 -0.430 -2.522 2.109 58 HD3 ARG 5 HD1 ARG 5 -0.684 -1.730 3.677 59 HE ARG 5 HE ARG 5 -1.941 -3.548 4.395 60 HH11 ARG 5 HH11 ARG 5 -1.107 -3.911 1.021 61 HH12 ARG 5 HH12 ARG 5 -1.577 -5.575 0.959 62 HH21 ARG 5 HH21 ARG 5 -2.558 -5.734 4.308 63 HH22 ARG 5 HH22 ARG 5 -2.401 -6.610 2.821 64 H LEU 6 HN LEU 6 -1.893 0.495 -1.263 65 HA LEU 6 HA LEU 6 -0.332 -0.527 -3.299 66 HB2 LEU 6 HB2 LEU 6 -2.225 1.685 -3.026 67 HB3 LEU 6 HB1 LEU 6 -0.976 2.026 -4.209 68 HG LEU 6 HG LEU 6 -3.035 1.034 -5.183 69 HD11 LEU 6 HD11 LEU 6 -1.682 -0.974 -6.256 70 HD12 LEU 6 HD12 LEU 6 -0.336 -0.170 -5.449 71 HD13 LEU 6 HD13 LEU 6 -1.309 0.708 -6.630 72 HD21 LEU 6 HD21 LEU 6 -3.099 -0.574 -3.037 73 HD22 LEU 6 HD22 LEU 6 -2.311 -1.650 -4.191 74 HD23 LEU 6 HD23 LEU 6 -3.892 -0.963 -4.564 75 H ILE 7 HN ILE 7 0.379 1.676 -0.897 76 HA ILE 7 HA ILE 7 2.636 2.808 -2.178 77 HB ILE 7 HB ILE 7 1.013 3.297 0.269 78 HG12 ILE 7 HG12 ILE 7 1.352 5.701 -0.484 79 HG13 ILE 7 HG11 ILE 7 2.209 5.072 -1.887 80 HG21 ILE 7 HG21 ILE 7 3.237 3.125 1.226 81 HG22 ILE 7 HG22 ILE 7 2.751 4.820 1.201 82 HG23 ILE 7 HG23 ILE 7 3.898 4.214 0.006 83 HD11 ILE 7 HD11 ILE 7 0.278 4.856 -2.932 84 HD12 ILE 7 HD12 ILE 7 -0.585 5.398 -1.492 85 HD13 ILE 7 HD13 ILE 7 -0.238 3.684 -1.720 86 H LEU 8 HN LEU 8 1.740 0.960 0.523 87 HA LEU 8 HA LEU 8 4.224 0.307 1.467 88 HB2 LEU 8 HB2 LEU 8 1.806 0.063 2.324 89 HB3 LEU 8 HB1 LEU 8 1.920 -1.516 1.593 90 HG LEU 8 HG LEU 8 2.369 -1.498 4.050 91 HD11 LEU 8 HD11 LEU 8 3.487 -3.020 2.138 92 HD12 LEU 8 HD12 LEU 8 3.785 -3.245 3.862 93 HD13 LEU 8 HD13 LEU 8 4.939 -2.345 2.877 94 HD21 LEU 8 HD21 LEU 8 5.010 -0.238 3.395 95 HD22 LEU 8 HD22 LEU 8 4.260 -0.485 4.972 96 HD23 LEU 8 HD23 LEU 8 3.620 0.737 3.872 97 H ARG 9 HN ARG 9 2.673 -0.572 -1.244 98 HA ARG 9 HA ARG 9 3.672 -3.190 -1.657 99 HB2 ARG 9 HB2 ARG 9 2.440 -1.063 -3.339 100 HB3 ARG 9 HB1 ARG 9 2.631 -2.739 -3.869 101 HG2 ARG 9 HG2 ARG 9 1.022 -1.754 -1.502 102 HG3 ARG 9 HG1 ARG 9 0.358 -2.289 -3.066 103 HD2 ARG 9 HD2 ARG 9 1.782 -3.942 -0.992 104 HD3 ARG 9 HD1 ARG 9 0.125 -4.117 -1.570 105 HE ARG 9 HE ARG 9 2.471 -5.223 -2.744 106 HH11 ARG 9 HH11 ARG 9 -0.683 -3.936 -3.505 107 HH12 ARG 9 HH12 ARG 9 -0.831 -4.833 -4.978 108 HH21 ARG 9 HH21 ARG 9 2.278 -6.401 -4.684 109 HH22 ARG 9 HH22 ARG 9 0.849 -6.232 -5.648 110 H LEU 10 HN LEU 10 4.428 0.014 -2.958 111 HA LEU 10 HA LEU 10 6.743 -1.006 -4.406 112 HB2 LEU 10 HB2 LEU 10 5.695 1.813 -4.052 113 HB3 LEU 10 HB1 LEU 10 7.054 1.370 -5.067 114 HG LEU 10 HG LEU 10 4.174 0.563 -5.470 115 HD11 LEU 10 HD11 LEU 10 6.000 2.549 -6.753 116 HD12 LEU 10 HD12 LEU 10 4.323 2.733 -6.241 117 HD13 LEU 10 HD13 LEU 10 4.705 1.801 -7.688 118 HD21 LEU 10 HD21 LEU 10 5.282 -0.243 -7.713 119 HD22 LEU 10 HD22 LEU 10 5.243 -1.289 -6.294 120 HD23 LEU 10 HD23 LEU 10 6.713 -0.401 -6.693 121 H LEU 11 HN LEU 11 5.797 0.504 -1.527 122 HA LEU 11 HA LEU 11 8.273 1.517 -0.588 123 HB2 LEU 11 HB2 LEU 11 5.581 0.838 0.504 124 HB3 LEU 11 HB1 LEU 11 6.879 1.223 1.630 125 HG LEU 11 HG LEU 11 5.401 2.970 -0.266 126 HD11 LEU 11 HD11 LEU 11 5.254 4.427 1.598 127 HD12 LEU 11 HD12 LEU 11 6.521 3.558 2.463 128 HD13 LEU 11 HD13 LEU 11 4.950 2.799 2.205 129 HD21 LEU 11 HD21 LEU 11 8.247 3.453 0.604 130 HD22 LEU 11 HD22 LEU 11 7.179 4.711 -0.019 131 HD23 LEU 11 HD23 LEU 11 7.632 3.350 -1.046 132 H ARG 12 HN ARG 12 6.495 -1.481 -0.351 133 HA ARG 12 HA ARG 12 7.328 -3.623 0.006 134 HB2 ARG 12 HB2 ARG 12 9.690 -2.455 -0.270 135 HB3 ARG 12 HB1 ARG 12 9.736 -2.639 1.475 136 HG2 ARG 12 HG2 ARG 12 10.768 -4.565 0.793 137 HG3 ARG 12 HG1 ARG 12 9.100 -5.111 0.961 138 HD2 ARG 12 HD2 ARG 12 10.352 -5.814 -1.142 139 HD3 ARG 12 HD1 ARG 12 8.751 -5.113 -1.358 140 HE ARG 12 HE ARG 12 11.311 -3.879 -2.041 141 HH11 ARG 12 HH11 ARG 12 7.828 -3.643 -1.911 142 HH12 ARG 12 HH12 ARG 12 7.757 -2.307 -3.008 143 HH21 ARG 12 HH21 ARG 12 11.209 -2.112 -3.474 144 HH22 ARG 12 HH22 ARG 12 9.669 -1.435 -3.886
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