NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1843 | 1b03 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 4 H ARG 4 -12.619 2.525 -6.149 2 HA ARG 4 HA ARG 4 -11.550 1.466 -3.934 3 1HB ARG 4 1HB ARG 4 -11.544 0.609 -6.269 4 2HB ARG 4 2HB ARG 4 -10.302 1.785 -6.678 5 1HG ARG 4 1HG ARG 4 -8.786 0.710 -5.055 6 2HG ARG 4 2HG ARG 4 -10.028 -0.502 -4.731 7 1HD ARG 4 1HD ARG 4 -8.417 -1.389 -6.297 8 2HD ARG 4 2HD ARG 4 -9.962 -1.155 -7.115 9 HE ARG 4 HE ARG 4 -7.492 0.315 -7.570 10 1HH1 ARG 4 1HH1 ARG 4 -10.907 0.019 -8.214 11 2HH1 ARG 4 2HH1 ARG 4 -10.856 1.024 -9.623 12 1HH2 ARG 4 1HH2 ARG 4 -7.421 1.639 -9.417 13 2HH2 ARG 4 2HH2 ARG 4 -8.875 1.946 -10.307 14 H LYS 5 H LYS 5 -9.326 1.420 -3.141 15 HA LYS 5 HA LYS 5 -7.724 3.816 -3.564 16 1HB LYS 5 1HB LYS 5 -9.290 4.322 -1.668 17 2HB LYS 5 2HB LYS 5 -8.581 2.970 -0.791 18 1HG LYS 5 1HG LYS 5 -6.407 4.076 -0.825 19 2HG LYS 5 2HG LYS 5 -7.107 5.430 -1.715 20 1HD LYS 5 1HD LYS 5 -8.596 5.907 0.159 21 2HD LYS 5 2HD LYS 5 -7.940 4.526 1.044 22 1HE LYS 5 1HE LYS 5 -6.945 6.621 1.807 23 2HE LYS 5 2HE LYS 5 -5.737 5.575 1.062 24 1HZ LYS 5 1HZ LYS 5 -6.951 7.344 -0.826 25 2HZ LYS 5 2HZ LYS 5 -6.211 8.188 0.438 26 3HZ LYS 5 3HZ LYS 5 -5.314 7.091 -0.486 27 H SER 6 H SER 6 -5.552 3.564 -2.855 28 HA SER 6 HA SER 6 -4.777 0.928 -1.864 29 1HB SER 6 1HB SER 6 -3.037 0.668 -3.584 30 2HB SER 6 2HB SER 6 -4.627 0.741 -4.317 31 HG SER 6 HG SER 6 -3.293 2.086 -5.479 32 H ILE 7 H ILE 7 -2.572 0.903 -1.018 33 HA ILE 7 HA ILE 7 -1.445 3.569 -0.529 34 HB ILE 7 HB ILE 7 -0.732 2.577 1.763 35 1HG1 ILE 7 1HG1 ILE 7 -3.253 0.986 1.253 36 2HG1 ILE 7 2HG1 ILE 7 -1.625 0.320 1.320 37 1HG2 ILE 7 1HG2 ILE 7 -2.931 4.166 0.925 38 2HG2 ILE 7 2HG2 ILE 7 -3.419 3.191 2.311 39 3HG2 ILE 7 3HG2 ILE 7 -2.003 4.232 2.425 40 1HD1 ILE 7 1HD1 ILE 7 -1.445 1.082 3.654 41 2HD1 ILE 7 2HD1 ILE 7 -3.117 1.638 3.571 42 3HD1 ILE 7 3HD1 ILE 7 -2.749 -0.078 3.401 43 H ARG 8 H ARG 8 0.747 3.698 -0.241 44 HA ARG 8 HA ARG 8 2.267 1.401 -1.207 45 1HB ARG 8 1HB ARG 8 4.184 3.227 -1.007 46 2HB ARG 8 2HB ARG 8 3.106 3.187 -2.390 47 1HG ARG 8 1HG ARG 8 3.425 5.457 -1.629 48 2HG ARG 8 2HG ARG 8 1.751 4.968 -1.383 49 1HD ARG 8 1HD ARG 8 2.163 4.618 0.976 50 2HD ARG 8 2HD ARG 8 3.880 4.949 0.757 51 HE ARG 8 HE ARG 8 1.782 6.860 1.054 52 1HH1 ARG 8 1HH1 ARG 8 4.888 6.317 -0.433 53 2HH1 ARG 8 2HH1 ARG 8 5.296 8.000 -0.493 54 1HH2 ARG 8 1HH2 ARG 8 2.317 9.075 0.985 55 2HH2 ARG 8 2HH2 ARG 8 3.837 9.566 0.315 56 H ILE 9 H ILE 9 2.234 0.083 0.564 57 HA ILE 9 HA ILE 9 2.748 1.080 3.182 58 HB ILE 9 HB ILE 9 2.548 -1.143 3.989 59 1HG1 ILE 9 1HG1 ILE 9 4.060 -2.250 2.349 60 2HG1 ILE 9 2HG1 ILE 9 2.570 -3.141 2.618 61 1HG2 ILE 9 1HG2 ILE 9 0.691 -0.426 1.766 62 2HG2 ILE 9 2HG2 ILE 9 0.486 -1.954 2.624 63 3HG2 ILE 9 3HG2 ILE 9 0.419 -0.429 3.508 64 1HD1 ILE 9 1HD1 ILE 9 1.749 -1.909 0.493 65 2HD1 ILE 9 2HD1 ILE 9 3.471 -1.643 0.210 66 3HD1 ILE 9 3HD1 ILE 9 2.843 -3.282 0.347 67 H GLN 10 H GLN 10 4.506 0.621 4.532 68 HA GLN 10 HA GLN 10 7.062 0.514 3.157 69 1HB GLN 10 1HB GLN 10 6.486 0.941 6.099 70 2HB GLN 10 2HB GLN 10 8.031 1.178 5.298 71 1HG GLN 10 1HG GLN 10 7.211 3.327 5.528 72 2HG GLN 10 2HG GLN 10 6.794 2.916 3.867 73 1HE2 GLN 10 2HE2 GLN 10 5.482 4.954 4.943 74 2HE2 GLN 10 1HE2 GLN 10 3.856 4.527 5.341 75 H ARG 11 H ARG 11 5.116 -1.817 3.874 76 HA ARG 11 HA ARG 11 6.962 -3.526 5.367 77 1HB ARG 11 1HB ARG 11 4.131 -4.038 4.424 78 2HB ARG 11 2HB ARG 11 5.082 -5.126 5.425 79 1HG ARG 11 1HG ARG 11 5.090 -3.542 7.236 80 2HG ARG 11 2HG ARG 11 4.292 -2.332 6.230 81 1HD ARG 11 1HD ARG 11 2.315 -3.742 6.066 82 2HD ARG 11 2HD ARG 11 3.111 -4.999 7.012 83 HE ARG 11 HE ARG 11 1.914 -2.561 7.998 84 1HH1 ARG 11 1HH1 ARG 11 4.105 -5.189 8.670 85 2HH1 ARG 11 2HH1 ARG 11 3.997 -5.007 10.389 86 1HH2 ARG 11 1HH2 ARG 11 1.766 -2.320 10.257 87 2HH2 ARG 11 2HH2 ARG 11 2.666 -3.378 11.290 88 H GLY 12 H GLY 12 6.812 -5.937 4.482 89 1HA GLY 12 1HA GLY 12 7.752 -5.757 1.712 90 2HA GLY 12 2HA GLY 12 8.140 -7.039 2.845 91 HA PRO 13 HA PRO 13 8.650 -8.244 1.013 92 1HB PRO 13 1HB PRO 13 7.880 -9.010 -1.694 93 2HB PRO 13 2HB PRO 13 8.653 -9.984 -0.441 94 1HG PRO 13 1HG PRO 13 6.103 -10.409 -1.269 95 2HG PRO 13 2HG PRO 13 6.650 -10.755 0.381 96 1HD PRO 13 1HD PRO 13 5.119 -8.391 -0.653 97 2HD PRO 13 2HD PRO 13 4.887 -9.316 0.848 98 H GLY 14 H GLY 14 9.537 -6.247 0.845 99 1HA GLY 14 1HA GLY 14 10.367 -4.363 -0.178 100 2HA GLY 14 2HA GLY 14 9.841 -5.049 -1.708 101 H ARG 15 H ARG 15 9.706 -2.277 -0.977 102 HA ARG 15 HA ARG 15 7.155 -1.496 -0.105 103 1HB ARG 15 1HB ARG 15 9.148 -0.110 -1.893 104 2HB ARG 15 2HB ARG 15 7.648 0.642 -1.366 105 1HG ARG 15 1HG ARG 15 8.741 -0.260 0.992 106 2HG ARG 15 2HG ARG 15 10.152 0.260 0.066 107 1HD ARG 15 1HD ARG 15 9.118 2.435 -0.307 108 2HD ARG 15 2HD ARG 15 7.680 1.911 0.571 109 HE ARG 15 HE ARG 15 9.948 1.621 2.217 110 1HH1 ARG 15 1HH1 ARG 15 7.926 4.093 0.819 111 2HH1 ARG 15 2HH1 ARG 15 8.217 5.231 2.090 112 1HH2 ARG 15 1HH2 ARG 15 10.335 3.118 3.897 113 2HH2 ARG 15 2HH2 ARG 15 9.584 4.678 3.838 114 H ALA 16 H ALA 16 5.228 -1.598 -1.030 115 HA ALA 16 HA ALA 16 4.966 -1.544 -3.929 116 1HB ALA 16 1HB ALA 16 5.234 -3.974 -3.046 117 2HB ALA 16 2HB ALA 16 3.570 -3.768 -2.495 118 3HB ALA 16 3HB ALA 16 3.959 -3.610 -4.208 119 H PHE 17 H PHE 17 2.488 -1.829 -4.433 120 HA PHE 17 HA PHE 17 1.068 -0.057 -2.565 121 1HB PHE 17 1HB PHE 17 1.367 0.003 -5.436 122 2HB PHE 17 2HB PHE 17 -0.334 -0.109 -5.004 123 HD1 PHE 17 HD1 PHE 17 -1.351 1.631 -3.530 124 HD2 PHE 17 HD2 PHE 17 2.591 1.990 -5.109 125 HE1 PHE 17 HE1 PHE 17 -1.380 4.046 -3.055 126 HE2 PHE 17 HE2 PHE 17 2.564 4.404 -4.636 127 HZ PHE 17 HZ PHE 17 0.578 5.435 -3.608 128 H VAL 18 H VAL 18 -0.494 -0.940 -1.437 129 HA VAL 18 HA VAL 18 -1.803 -3.364 -2.477 130 HB VAL 18 HB VAL 18 -2.502 -3.767 -0.096 131 1HG1 VAL 18 1HG1 VAL 18 0.453 -3.690 -0.680 132 2HG1 VAL 18 2HG1 VAL 18 -0.305 -4.616 0.616 133 3HG1 VAL 18 3HG1 VAL 18 -0.669 -4.995 -1.067 134 1HG2 VAL 18 1HG2 VAL 18 -2.242 -1.489 0.736 135 2HG2 VAL 18 2HG2 VAL 18 -1.281 -2.623 1.683 136 3HG2 VAL 18 3HG2 VAL 18 -0.499 -1.589 0.487 137 H THR 19 H THR 19 -4.085 -3.551 -2.206 138 HA THR 19 HA THR 19 -5.390 -0.964 -2.451 139 HB THR 19 HB THR 19 -6.579 -3.718 -2.782 140 HG1 THR 19 HG1 THR 19 -4.756 -2.745 -4.248 141 1HG2 THR 19 1HG2 THR 19 -7.536 -0.989 -3.575 142 2HG2 THR 19 2HG2 THR 19 -8.167 -2.479 -4.277 143 3HG2 THR 19 3HG2 THR 19 -8.348 -2.171 -2.550 144 H ILE 20 H ILE 20 -7.344 -0.460 -1.344 145 HA ILE 20 HA ILE 20 -7.554 -1.693 1.319 146 HB ILE 20 HB ILE 20 -8.267 1.171 0.742 147 1HG1 ILE 20 1HG1 ILE 20 -5.590 0.122 1.699 148 2HG1 ILE 20 2HG1 ILE 20 -5.897 0.879 0.139 149 1HG2 ILE 20 1HG2 ILE 20 -7.852 -0.497 3.183 150 2HG2 ILE 20 2HG2 ILE 20 -7.622 1.249 3.258 151 3HG2 ILE 20 3HG2 ILE 20 -9.184 0.588 2.778 152 1HD1 ILE 20 1HD1 ILE 20 -6.819 2.699 2.044 153 2HD1 ILE 20 2HD1 ILE 20 -5.288 2.084 2.666 154 3HD1 ILE 20 3HD1 ILE 20 -5.359 2.814 1.062 155 H GLY 21 H GLY 21 -9.727 -1.425 2.309 156 1HA GLY 21 1HA GLY 21 -12.023 -0.653 0.954 157 2HA GLY 21 2HA GLY 21 -11.751 -2.345 0.557 Start of MODEL 2 1 H ARG 4 H ARG 4 -12.556 3.256 -4.907 2 HA ARG 4 HA ARG 4 -11.385 2.167 -3.470 3 1HB ARG 4 1HB ARG 4 -9.371 1.922 -5.723 4 2HB ARG 4 2HB ARG 4 -9.386 0.937 -4.267 5 1HG ARG 4 1HG ARG 4 -11.595 0.059 -4.901 6 2HG ARG 4 2HG ARG 4 -11.528 1.010 -6.386 7 1HD ARG 4 1HD ARG 4 -9.523 -0.210 -7.078 8 2HD ARG 4 2HD ARG 4 -9.577 -1.152 -5.587 9 HE ARG 4 HE ARG 4 -12.033 -1.448 -6.868 10 1HH1 ARG 4 1HH1 ARG 4 -8.685 -2.254 -7.415 11 2HH1 ARG 4 2HH1 ARG 4 -9.046 -3.668 -8.349 12 1HH2 ARG 4 1HH2 ARG 4 -12.514 -3.307 -8.092 13 2HH2 ARG 4 2HH2 ARG 4 -11.222 -4.266 -8.733 14 H LYS 5 H LYS 5 -8.942 1.959 -2.555 15 HA LYS 5 HA LYS 5 -7.714 4.623 -2.449 16 1HB LYS 5 1HB LYS 5 -9.405 4.054 -0.523 17 2HB LYS 5 2HB LYS 5 -8.112 3.020 0.053 18 1HG LYS 5 1HG LYS 5 -7.607 5.912 -0.522 19 2HG LYS 5 2HG LYS 5 -8.333 5.403 1.001 20 1HD LYS 5 1HD LYS 5 -6.383 3.923 1.389 21 2HD LYS 5 2HD LYS 5 -5.650 4.545 -0.087 22 1HE LYS 5 1HE LYS 5 -4.746 5.694 1.846 23 2HE LYS 5 2HE LYS 5 -5.682 6.807 0.851 24 1HZ LYS 5 1HZ LYS 5 -6.890 5.433 3.171 25 2HZ LYS 5 2HZ LYS 5 -6.031 6.876 3.358 26 3HZ LYS 5 3HZ LYS 5 -7.414 6.836 2.384 27 H SER 6 H SER 6 -5.476 4.540 -1.895 28 HA SER 6 HA SER 6 -4.320 1.876 -1.581 29 1HB SER 6 1HB SER 6 -3.301 3.824 -3.654 30 2HB SER 6 2HB SER 6 -2.721 2.186 -3.356 31 HG SER 6 HG SER 6 -4.275 1.444 -4.557 32 H ILE 7 H ILE 7 -2.448 1.811 -0.378 33 HA ILE 7 HA ILE 7 -1.357 4.400 0.490 34 HB ILE 7 HB ILE 7 -0.901 3.059 2.717 35 1HG1 ILE 7 1HG1 ILE 7 -3.532 1.883 1.802 36 2HG1 ILE 7 2HG1 ILE 7 -2.008 1.003 1.873 37 1HG2 ILE 7 1HG2 ILE 7 -2.534 5.121 1.994 38 2HG2 ILE 7 2HG2 ILE 7 -3.634 4.008 2.807 39 3HG2 ILE 7 3HG2 ILE 7 -2.187 4.580 3.638 40 1HD1 ILE 7 1HD1 ILE 7 -3.348 2.278 4.243 41 2HD1 ILE 7 2HD1 ILE 7 -3.490 0.578 3.796 42 3HD1 ILE 7 3HD1 ILE 7 -1.921 1.240 4.256 43 H ARG 8 H ARG 8 0.728 4.532 1.033 44 HA ARG 8 HA ARG 8 2.515 2.534 -0.047 45 1HB ARG 8 1HB ARG 8 3.131 5.086 1.472 46 2HB ARG 8 2HB ARG 8 4.283 4.117 0.561 47 1HG ARG 8 1HG ARG 8 3.187 4.670 -1.511 48 2HG ARG 8 2HG ARG 8 1.907 5.524 -0.646 49 1HD ARG 8 1HD ARG 8 3.563 7.129 0.193 50 2HD ARG 8 2HD ARG 8 4.829 6.280 -0.694 51 HE ARG 8 HE ARG 8 2.996 6.897 -2.604 52 1HH1 ARG 8 1HH1 ARG 8 4.718 8.752 -0.208 53 2HH1 ARG 8 2HH1 ARG 8 4.741 10.199 -1.160 54 1HH2 ARG 8 1HH2 ARG 8 3.018 8.795 -3.859 55 2HH2 ARG 8 2HH2 ARG 8 3.773 10.224 -3.235 56 H ILE 9 H ILE 9 2.553 0.743 1.204 57 HA ILE 9 HA ILE 9 2.279 0.869 4.040 58 HB ILE 9 HB ILE 9 2.487 -1.536 3.998 59 1HG1 ILE 9 1HG1 ILE 9 3.717 -1.036 1.312 60 2HG1 ILE 9 2HG1 ILE 9 4.300 -2.045 2.625 61 1HG2 ILE 9 1HG2 ILE 9 0.444 -0.313 2.979 62 2HG2 ILE 9 2HG2 ILE 9 1.040 -0.945 1.446 63 3HG2 ILE 9 3HG2 ILE 9 0.603 -2.053 2.746 64 1HD1 ILE 9 1HD1 ILE 9 1.997 -3.317 1.961 65 2HD1 ILE 9 2HD1 ILE 9 2.517 -2.682 0.398 66 3HD1 ILE 9 3HD1 ILE 9 3.594 -3.722 1.332 67 H GLN 10 H GLN 10 3.868 0.232 5.583 68 HA GLN 10 HA GLN 10 6.613 0.803 4.729 69 1HB GLN 10 1HB GLN 10 7.057 1.189 7.144 70 2HB GLN 10 2HB GLN 10 5.828 2.255 6.481 71 1HG GLN 10 1HG GLN 10 4.079 0.902 7.486 72 2HG GLN 10 2HG GLN 10 5.285 -0.227 8.100 73 1HE2 GLN 10 1HE2 GLN 10 4.956 3.310 8.062 74 2HE2 GLN 10 2HE2 GLN 10 5.210 3.517 9.757 75 H ARG 11 H ARG 11 4.921 -1.855 4.849 76 HA ARG 11 HA ARG 11 6.955 -3.441 6.263 77 1HB ARG 11 1HB ARG 11 5.278 -5.244 6.346 78 2HB ARG 11 2HB ARG 11 4.726 -3.783 7.151 79 1HG ARG 11 1HG ARG 11 3.364 -3.216 5.208 80 2HG ARG 11 2HG ARG 11 3.930 -4.671 4.383 81 1HD ARG 11 1HD ARG 11 2.925 -6.061 6.112 82 2HD ARG 11 2HD ARG 11 2.403 -4.622 6.987 83 HE ARG 11 HE ARG 11 1.401 -4.668 4.320 84 1HH1 ARG 11 1HH1 ARG 11 0.911 -5.956 7.520 85 2HH1 ARG 11 2HH1 ARG 11 -0.779 -6.250 7.284 86 1HH2 ARG 11 1HH2 ARG 11 -0.827 -5.052 4.000 87 2HH2 ARG 11 2HH2 ARG 11 -1.768 -5.737 5.284 88 H GLY 12 H GLY 12 6.864 -5.832 5.232 89 1HA GLY 12 1HA GLY 12 7.717 -5.434 2.450 90 2HA GLY 12 2HA GLY 12 8.178 -6.770 3.491 91 HA PRO 13 HA PRO 13 8.674 -7.992 1.896 92 1HB PRO 13 1HB PRO 13 8.138 -9.152 -0.692 93 2HB PRO 13 2HB PRO 13 8.688 -9.959 0.777 94 1HG PRO 13 1HG PRO 13 6.215 -10.342 -0.352 95 2HG PRO 13 2HG PRO 13 6.574 -10.596 1.366 96 1HD PRO 13 1HD PRO 13 5.275 -8.252 0.023 97 2HD PRO 13 2HD PRO 13 4.871 -9.034 1.568 98 H GLY 14 H GLY 14 9.790 -6.227 1.357 99 1HA GLY 14 1HA GLY 14 10.801 -4.706 -0.075 100 2HA GLY 14 2HA GLY 14 9.750 -5.266 -1.367 101 H ARG 15 H ARG 15 10.495 -2.521 -0.435 102 HA ARG 15 HA ARG 15 8.224 -1.350 0.785 103 1HB ARG 15 1HB ARG 15 9.241 0.730 0.406 104 2HB ARG 15 2HB ARG 15 10.575 -0.383 0.648 105 1HG ARG 15 1HG ARG 15 11.323 0.817 -1.147 106 2HG ARG 15 2HG ARG 15 10.533 -0.534 -1.965 107 1HD ARG 15 1HD ARG 15 8.513 0.825 -2.236 108 2HD ARG 15 2HD ARG 15 9.312 2.169 -1.429 109 HE ARG 15 HE ARG 15 10.902 1.394 -3.588 110 1HH1 ARG 15 1HH1 ARG 15 7.767 2.799 -3.004 111 2HH1 ARG 15 2HH1 ARG 15 7.754 3.701 -4.482 112 1HH2 ARG 15 1HH2 ARG 15 10.895 2.578 -5.532 113 2HH2 ARG 15 2HH2 ARG 15 9.534 3.576 -5.921 114 H ALA 16 H ALA 16 6.322 -0.775 -0.021 115 HA ALA 16 HA ALA 16 5.880 -0.005 -2.729 116 1HB ALA 16 1HB ALA 16 6.146 -2.628 -2.675 117 2HB ALA 16 2HB ALA 16 4.473 -2.555 -2.121 118 3HB ALA 16 3HB ALA 16 4.919 -1.853 -3.676 119 H PHE 17 H PHE 17 3.262 -0.611 -3.008 120 HA PHE 17 HA PHE 17 1.940 0.324 -0.575 121 1HB PHE 17 1HB PHE 17 1.027 2.221 -1.497 122 2HB PHE 17 2HB PHE 17 2.552 2.181 -2.359 123 HD1 PHE 17 HD1 PHE 17 2.118 0.219 -4.431 124 HD2 PHE 17 HD2 PHE 17 -0.545 3.154 -2.857 125 HE1 PHE 17 HE1 PHE 17 0.913 0.264 -6.577 126 HE2 PHE 17 HE2 PHE 17 -1.752 3.202 -5.016 127 HZ PHE 17 HZ PHE 17 -1.026 1.755 -6.869 128 H VAL 18 H VAL 18 -0.302 -0.117 -0.479 129 HA VAL 18 HA VAL 18 -1.151 -2.232 -2.350 130 HB VAL 18 HB VAL 18 -2.583 -3.103 -0.510 131 1HG1 VAL 18 1HG1 VAL 18 -0.403 -4.081 -1.039 132 2HG1 VAL 18 2HG1 VAL 18 0.360 -3.001 0.127 133 3HG1 VAL 18 3HG1 VAL 18 -0.789 -4.221 0.675 134 1HG2 VAL 18 1HG2 VAL 18 -1.755 -0.690 0.775 135 2HG2 VAL 18 2HG2 VAL 18 -2.923 -1.891 1.321 136 3HG2 VAL 18 3HG2 VAL 18 -1.219 -2.065 1.737 137 H THR 19 H THR 19 -3.392 -2.380 -2.832 138 HA THR 19 HA THR 19 -4.767 0.216 -2.610 139 HB THR 19 HB THR 19 -4.995 -1.869 -4.788 140 HG1 THR 19 HG1 THR 19 -3.171 -0.824 -5.229 141 1HG2 THR 19 1HG2 THR 19 -6.329 0.806 -4.477 142 2HG2 THR 19 2HG2 THR 19 -6.199 -0.054 -6.013 143 3HG2 THR 19 3HG2 THR 19 -7.094 -0.771 -4.672 144 H ILE 20 H ILE 20 -6.301 0.130 -1.141 145 HA ILE 20 HA ILE 20 -7.841 -2.294 -0.692 146 HB ILE 20 HB ILE 20 -8.677 -0.911 1.282 147 1HG1 ILE 20 1HG1 ILE 20 -6.153 0.637 0.738 148 2HG1 ILE 20 2HG1 ILE 20 -7.763 1.234 0.351 149 1HG2 ILE 20 1HG2 ILE 20 -5.849 -1.897 1.083 150 2HG2 ILE 20 2HG2 ILE 20 -6.608 -1.430 2.605 151 3HG2 ILE 20 3HG2 ILE 20 -7.262 -2.775 1.669 152 1HD1 ILE 20 1HD1 ILE 20 -7.838 0.404 3.024 153 2HD1 ILE 20 2HD1 ILE 20 -6.344 1.318 2.817 154 3HD1 ILE 20 3HD1 ILE 20 -7.891 2.050 2.393 155 H GLY 21 H GLY 21 -10.213 -1.777 -0.034 156 1HA GLY 21 1HA GLY 21 -11.596 0.450 -0.901 157 2HA GLY 21 2HA GLY 21 -11.480 -0.606 -2.302 Start of MODEL 3 1 H ARG 4 H ARG 4 -11.975 3.923 -6.674 2 HA ARG 4 HA ARG 4 -11.722 3.100 -4.703 3 1HB ARG 4 1HB ARG 4 -9.615 1.392 -6.052 4 2HB ARG 4 2HB ARG 4 -10.281 1.075 -4.456 5 1HG ARG 4 1HG ARG 4 -12.494 0.754 -5.424 6 2HG ARG 4 2HG ARG 4 -11.851 1.105 -7.031 7 1HD ARG 4 1HD ARG 4 -11.031 -1.189 -5.248 8 2HD ARG 4 2HD ARG 4 -12.061 -1.301 -6.674 9 HE ARG 4 HE ARG 4 -9.641 -0.118 -7.429 10 1HH1 ARG 4 1HH1 ARG 4 -10.845 -3.190 -6.305 11 2HH1 ARG 4 2HH1 ARG 4 -9.617 -4.109 -7.108 12 1HH2 ARG 4 1HH2 ARG 4 -8.020 -1.319 -8.484 13 2HH2 ARG 4 2HH2 ARG 4 -8.011 -3.045 -8.346 14 H LYS 5 H LYS 5 -10.102 2.628 -2.866 15 HA LYS 5 HA LYS 5 -8.130 4.806 -2.845 16 1HB LYS 5 1HB LYS 5 -10.062 4.320 -1.067 17 2HB LYS 5 2HB LYS 5 -8.851 3.229 -0.412 18 1HG LYS 5 1HG LYS 5 -8.349 6.156 -0.900 19 2HG LYS 5 2HG LYS 5 -8.945 5.508 0.628 20 1HD LYS 5 1HD LYS 5 -6.903 4.030 0.673 21 2HD LYS 5 2HD LYS 5 -6.300 4.952 -0.701 22 1HE LYS 5 1HE LYS 5 -7.007 6.085 1.998 23 2HE LYS 5 2HE LYS 5 -5.377 5.781 1.401 24 1HZ LYS 5 1HZ LYS 5 -6.866 7.376 -0.425 25 2HZ LYS 5 2HZ LYS 5 -6.827 8.092 1.107 26 3HZ LYS 5 3HZ LYS 5 -5.382 7.700 0.319 27 H SER 6 H SER 6 -5.979 4.398 -2.211 28 HA SER 6 HA SER 6 -5.198 1.615 -1.787 29 1HB SER 6 1HB SER 6 -3.947 3.395 -3.904 30 2HB SER 6 2HB SER 6 -3.361 1.798 -3.441 31 HG SER 6 HG SER 6 -5.649 2.510 -4.888 32 H ILE 7 H ILE 7 -3.090 1.383 -0.811 33 HA ILE 7 HA ILE 7 -2.041 3.854 0.405 34 HB ILE 7 HB ILE 7 -1.477 2.244 2.391 35 1HG1 ILE 7 1HG1 ILE 7 -3.977 0.945 1.297 36 2HG1 ILE 7 2HG1 ILE 7 -2.368 0.234 1.243 37 1HG2 ILE 7 1HG2 ILE 7 -3.703 3.992 1.842 38 2HG2 ILE 7 2HG2 ILE 7 -4.114 2.748 3.025 39 3HG2 ILE 7 3HG2 ILE 7 -2.729 3.804 3.302 40 1HD1 ILE 7 1HD1 ILE 7 -3.850 0.964 3.758 41 2HD1 ILE 7 2HD1 ILE 7 -3.747 -0.655 3.065 42 3HD1 ILE 7 3HD1 ILE 7 -2.289 0.147 3.652 43 H ARG 8 H ARG 8 0.115 3.854 1.023 44 HA ARG 8 HA ARG 8 1.806 1.920 -0.385 45 1HB ARG 8 1HB ARG 8 2.257 4.378 -0.682 46 2HB ARG 8 2HB ARG 8 2.595 4.481 1.040 47 1HG ARG 8 1HG ARG 8 4.331 2.611 0.540 48 2HG ARG 8 2HG ARG 8 4.176 3.170 -1.126 49 1HD ARG 8 1HD ARG 8 5.009 4.794 1.273 50 2HD ARG 8 2HD ARG 8 6.024 4.303 -0.080 51 HE ARG 8 HE ARG 8 3.939 5.771 -1.152 52 1HH1 ARG 8 1HH1 ARG 8 6.570 6.277 1.074 53 2HH1 ARG 8 2HH1 ARG 8 6.729 7.962 0.709 54 1HH2 ARG 8 1HH2 ARG 8 4.138 7.994 -1.638 55 2HH2 ARG 8 2HH2 ARG 8 5.345 8.938 -0.832 56 H ILE 9 H ILE 9 2.017 0.143 0.929 57 HA ILE 9 HA ILE 9 1.917 0.453 3.768 58 HB ILE 9 HB ILE 9 2.027 -1.884 3.979 59 1HG1 ILE 9 1HG1 ILE 9 4.057 -2.262 2.604 60 2HG1 ILE 9 2HG1 ILE 9 2.787 -3.430 2.266 61 1HG2 ILE 9 1HG2 ILE 9 -0.022 -1.078 2.928 62 2HG2 ILE 9 2HG2 ILE 9 0.687 -1.339 1.334 63 3HG2 ILE 9 3HG2 ILE 9 0.374 -2.712 2.395 64 1HD1 ILE 9 1HD1 ILE 9 2.171 -1.955 0.299 65 2HD1 ILE 9 2HD1 ILE 9 3.707 -1.138 0.583 66 3HD1 ILE 9 3HD1 ILE 9 3.681 -2.856 0.193 67 H GLN 10 H GLN 10 3.538 0.177 5.260 68 HA GLN 10 HA GLN 10 6.237 0.721 4.291 69 1HB GLN 10 1HB GLN 10 5.105 2.123 6.083 70 2HB GLN 10 2HB GLN 10 5.251 0.735 7.147 71 1HG GLN 10 1HG GLN 10 7.023 2.411 7.483 72 2HG GLN 10 2HG GLN 10 7.642 0.821 7.052 73 1HE2 GLN 10 2HE2 GLN 10 6.211 3.064 4.765 74 2HE2 GLN 10 1HE2 GLN 10 7.665 3.394 3.896 75 H ARG 11 H ARG 11 4.671 -1.960 4.539 76 HA ARG 11 HA ARG 11 6.568 -3.468 6.180 77 1HB ARG 11 1HB ARG 11 4.076 -4.432 4.758 78 2HB ARG 11 2HB ARG 11 5.017 -5.328 5.942 79 1HG ARG 11 1HG ARG 11 4.357 -3.837 7.695 80 2HG ARG 11 2HG ARG 11 3.577 -2.753 6.541 81 1HD ARG 11 1HD ARG 11 1.989 -4.545 5.964 82 2HD ARG 11 2HD ARG 11 2.751 -5.589 7.165 83 HE ARG 11 HE ARG 11 0.913 -3.424 7.653 84 1HH1 ARG 11 1HH1 ARG 11 3.395 -5.454 9.031 85 2HH1 ARG 11 2HH1 ARG 11 2.881 -5.185 10.663 86 1HH2 ARG 11 1HH2 ARG 11 0.240 -3.069 9.796 87 2HH2 ARG 11 2HH2 ARG 11 1.091 -3.832 11.097 88 H GLY 12 H GLY 12 7.102 -5.715 5.177 89 1HA GLY 12 1HA GLY 12 8.237 -5.173 2.525 90 2HA GLY 12 2HA GLY 12 8.799 -6.398 3.653 91 HA PRO 13 HA PRO 13 9.722 -7.379 1.907 92 1HB PRO 13 1HB PRO 13 9.510 -8.328 -0.827 93 2HB PRO 13 2HB PRO 13 10.251 -9.122 0.563 94 1HG PRO 13 1HG PRO 13 7.972 -10.018 -0.638 95 2HG PRO 13 2HG PRO 13 8.348 -10.293 1.072 96 1HD PRO 13 1HD PRO 13 6.536 -8.249 -0.167 97 2HD PRO 13 2HD PRO 13 6.297 -9.228 1.298 98 H GLY 14 H GLY 14 10.167 -5.242 1.758 99 1HA GLY 14 1HA GLY 14 10.789 -3.296 0.684 100 2HA GLY 14 2HA GLY 14 10.359 -4.051 -0.844 101 H ARG 15 H ARG 15 9.824 -1.331 0.045 102 HA ARG 15 HA ARG 15 7.152 -1.016 0.838 103 1HB ARG 15 1HB ARG 15 7.429 1.297 -0.282 104 2HB ARG 15 2HB ARG 15 8.431 0.905 1.107 105 1HG ARG 15 1HG ARG 15 9.611 2.053 -0.772 106 2HG ARG 15 2HG ARG 15 10.334 0.529 -0.260 107 1HD ARG 15 1HD ARG 15 9.383 -0.621 -2.128 108 2HD ARG 15 2HD ARG 15 8.442 0.795 -2.589 109 HE ARG 15 HE ARG 15 11.155 0.250 -3.257 110 1HH1 ARG 15 1HH1 ARG 15 8.937 2.842 -2.534 111 2HH1 ARG 15 2HH1 ARG 15 9.834 4.028 -3.422 112 1HH2 ARG 15 1HH2 ARG 15 12.339 1.807 -4.428 113 2HH2 ARG 15 2HH2 ARG 15 11.767 3.440 -4.498 114 H ALA 16 H ALA 16 5.300 -0.377 -0.371 115 HA ALA 16 HA ALA 16 5.227 -0.448 -3.208 116 1HB ALA 16 1HB ALA 16 4.871 -2.983 -1.784 117 2HB ALA 16 2HB ALA 16 3.582 -2.604 -2.926 118 3HB ALA 16 3HB ALA 16 5.255 -2.675 -3.477 119 H PHE 17 H PHE 17 2.808 -0.829 -3.915 120 HA PHE 17 HA PHE 17 1.096 0.628 -2.011 121 1HB PHE 17 1HB PHE 17 1.811 1.261 -4.752 122 2HB PHE 17 2HB PHE 17 0.068 1.104 -4.568 123 HD1 PHE 17 HD1 PHE 17 -1.042 2.441 -2.683 124 HD2 PHE 17 HD2 PHE 17 2.888 3.217 -4.127 125 HE1 PHE 17 HE1 PHE 17 -1.154 4.720 -1.758 126 HE2 PHE 17 HE2 PHE 17 2.781 5.497 -3.204 127 HZ PHE 17 HZ PHE 17 0.758 6.250 -2.018 128 H VAL 18 H VAL 18 -0.777 -0.272 -1.513 129 HA VAL 18 HA VAL 18 -1.789 -2.471 -3.200 130 HB VAL 18 HB VAL 18 -2.290 -2.282 -0.240 131 1HG1 VAL 18 1HG1 VAL 18 -2.692 -4.382 -2.333 132 2HG1 VAL 18 2HG1 VAL 18 -2.577 -4.810 -0.626 133 3HG1 VAL 18 3HG1 VAL 18 -3.849 -3.719 -1.176 134 1HG2 VAL 18 1HG2 VAL 18 -0.070 -3.813 -1.595 135 2HG2 VAL 18 2HG2 VAL 18 0.124 -2.434 -0.512 136 3HG2 VAL 18 3HG2 VAL 18 -0.521 -3.955 0.104 137 H THR 19 H THR 19 -4.152 -2.722 -3.080 138 HA THR 19 HA THR 19 -5.418 -0.096 -2.801 139 HB THR 19 HB THR 19 -6.217 -2.519 -4.415 140 HG1 THR 19 HG1 THR 19 -5.277 0.079 -5.044 141 1HG2 THR 19 1HG2 THR 19 -7.682 0.085 -4.067 142 2HG2 THR 19 2HG2 THR 19 -7.966 -1.045 -5.391 143 3HG2 THR 19 3HG2 THR 19 -8.281 -1.540 -3.728 144 H ILE 20 H ILE 20 -7.538 0.053 -1.957 145 HA ILE 20 HA ILE 20 -8.155 -1.965 0.087 146 HB ILE 20 HB ILE 20 -8.906 0.944 0.272 147 1HG1 ILE 20 1HG1 ILE 20 -6.384 -0.352 1.339 148 2HG1 ILE 20 2HG1 ILE 20 -6.456 0.826 0.034 149 1HG2 ILE 20 1HG2 ILE 20 -8.849 -1.382 2.140 150 2HG2 ILE 20 2HG2 ILE 20 -8.688 0.254 2.775 151 3HG2 ILE 20 3HG2 ILE 20 -10.125 -0.196 1.859 152 1HD1 ILE 20 1HD1 ILE 20 -7.691 2.221 1.954 153 2HD1 ILE 20 2HD1 ILE 20 -6.643 1.206 2.946 154 3HD1 ILE 20 3HD1 ILE 20 -5.945 2.242 1.702 155 H GLY 21 H GLY 21 -10.500 -1.967 0.711 156 1HA GLY 21 1HA GLY 21 -12.355 -0.971 -1.291 157 2HA GLY 21 2HA GLY 21 -12.217 -2.722 -1.188 Start of MODEL 4 1 H ARG 4 H ARG 4 -13.165 3.570 -4.222 2 HA ARG 4 HA ARG 4 -11.710 2.315 -3.264 3 1HB ARG 4 1HB ARG 4 -9.954 1.182 -4.542 4 2HB ARG 4 2HB ARG 4 -11.475 1.156 -5.424 5 1HG ARG 4 1HG ARG 4 -10.708 2.947 -6.869 6 2HG ARG 4 2HG ARG 4 -9.212 3.083 -5.945 7 1HD ARG 4 1HD ARG 4 -8.638 0.773 -6.576 8 2HD ARG 4 2HD ARG 4 -10.113 0.682 -7.539 9 HE ARG 4 HE ARG 4 -8.585 2.907 -8.352 10 1HH1 ARG 4 1HH1 ARG 4 -8.571 -0.575 -8.490 11 2HH1 ARG 4 2HH1 ARG 4 -7.661 -0.642 -9.963 12 1HH2 ARG 4 1HH2 ARG 4 -7.386 2.826 -10.292 13 2HH2 ARG 4 2HH2 ARG 4 -6.988 1.289 -10.985 14 H LYS 5 H LYS 5 -9.481 2.261 -2.409 15 HA LYS 5 HA LYS 5 -7.944 4.736 -2.744 16 1HB LYS 5 1HB LYS 5 -9.707 4.448 -0.640 17 2HB LYS 5 2HB LYS 5 -8.209 3.845 0.050 18 1HG LYS 5 1HG LYS 5 -8.557 6.544 -1.248 19 2HG LYS 5 2HG LYS 5 -8.586 6.240 0.488 20 1HD LYS 5 1HD LYS 5 -6.251 5.723 -1.357 21 2HD LYS 5 2HD LYS 5 -6.409 7.087 -0.254 22 1HE LYS 5 1HE LYS 5 -6.231 4.172 0.503 23 2HE LYS 5 2HE LYS 5 -4.986 5.398 0.730 24 1HZ LYS 5 1HZ LYS 5 -7.068 6.506 1.994 25 2HZ LYS 5 2HZ LYS 5 -7.357 4.866 2.297 26 3HZ LYS 5 3HZ LYS 5 -5.889 5.565 2.758 27 H SER 6 H SER 6 -5.682 4.389 -2.229 28 HA SER 6 HA SER 6 -4.999 1.677 -1.351 29 1HB SER 6 1HB SER 6 -3.775 2.938 -3.823 30 2HB SER 6 2HB SER 6 -3.421 1.340 -3.166 31 HG SER 6 HG SER 6 -5.074 0.608 -4.233 32 H ILE 7 H ILE 7 -2.868 1.477 -0.470 33 HA ILE 7 HA ILE 7 -1.509 4.036 0.024 34 HB ILE 7 HB ILE 7 -0.912 2.937 2.319 35 1HG1 ILE 7 1HG1 ILE 7 -3.630 1.715 1.805 36 2HG1 ILE 7 2HG1 ILE 7 -2.112 0.821 1.797 37 1HG2 ILE 7 1HG2 ILE 7 -2.698 4.893 1.502 38 2HG2 ILE 7 2HG2 ILE 7 -3.579 3.917 2.679 39 3HG2 ILE 7 3HG2 ILE 7 -2.028 4.639 3.114 40 1HD1 ILE 7 1HD1 ILE 7 -3.232 2.318 4.154 41 2HD1 ILE 7 2HD1 ILE 7 -3.331 0.575 3.899 42 3HD1 ILE 7 3HD1 ILE 7 -1.760 1.343 4.130 43 H ARG 8 H ARG 8 0.632 4.044 0.328 44 HA ARG 8 HA ARG 8 2.108 1.695 -0.558 45 1HB ARG 8 1HB ARG 8 2.832 4.583 -0.111 46 2HB ARG 8 2HB ARG 8 4.081 3.354 -0.260 47 1HG ARG 8 1HG ARG 8 3.287 2.776 -2.478 48 2HG ARG 8 2HG ARG 8 1.973 3.944 -2.331 49 1HD ARG 8 1HD ARG 8 3.472 5.774 -2.352 50 2HD ARG 8 2HD ARG 8 4.868 4.729 -2.095 51 HE ARG 8 HE ARG 8 5.007 4.544 -4.351 52 1HH1 ARG 8 1HH1 ARG 8 1.666 5.168 -3.558 53 2HH1 ARG 8 2HH1 ARG 8 1.143 5.162 -5.209 54 1HH2 ARG 8 1HH2 ARG 8 4.325 4.543 -6.519 55 2HH2 ARG 8 2HH2 ARG 8 2.654 4.808 -6.889 56 H ILE 9 H ILE 9 2.448 0.261 0.990 57 HA ILE 9 HA ILE 9 2.440 0.993 3.748 58 HB ILE 9 HB ILE 9 2.787 -1.387 4.175 59 1HG1 ILE 9 1HG1 ILE 9 3.572 -1.384 1.288 60 2HG1 ILE 9 2HG1 ILE 9 4.334 -2.194 2.647 61 1HG2 ILE 9 1HG2 ILE 9 0.547 -0.494 3.492 62 2HG2 ILE 9 2HG2 ILE 9 0.884 -1.076 1.861 63 3HG2 ILE 9 3HG2 ILE 9 0.776 -2.218 3.200 64 1HD1 ILE 9 1HD1 ILE 9 2.059 -3.562 2.600 65 2HD1 ILE 9 2HD1 ILE 9 2.114 -3.071 0.904 66 3HD1 ILE 9 3HD1 ILE 9 3.448 -3.992 1.603 67 H GLN 10 H GLN 10 4.215 0.501 5.242 68 HA GLN 10 HA GLN 10 6.814 1.097 4.028 69 1HB GLN 10 1HB GLN 10 7.508 1.789 6.296 70 2HB GLN 10 2HB GLN 10 6.117 2.688 5.709 71 1HG GLN 10 1HG GLN 10 4.640 1.306 7.073 72 2HG GLN 10 2HG GLN 10 6.030 0.388 7.653 73 1HE2 GLN 10 2HE2 GLN 10 3.990 2.209 8.958 74 2HE2 GLN 10 1HE2 GLN 10 4.945 3.307 9.887 75 H ARG 11 H ARG 11 5.316 -1.608 4.586 76 HA ARG 11 HA ARG 11 7.474 -2.952 6.052 77 1HB ARG 11 1HB ARG 11 4.784 -3.279 6.256 78 2HB ARG 11 2HB ARG 11 5.163 -4.528 5.079 79 1HG ARG 11 1HG ARG 11 7.031 -5.147 6.845 80 2HG ARG 11 2HG ARG 11 5.936 -4.310 7.943 81 1HD ARG 11 1HD ARG 11 5.271 -6.670 6.187 82 2HD ARG 11 2HD ARG 11 5.442 -6.677 7.941 83 HE ARG 11 HE ARG 11 3.483 -4.819 7.370 84 1HH1 ARG 11 1HH1 ARG 11 3.979 -8.232 6.874 85 2HH1 ARG 11 2HH1 ARG 11 2.292 -8.617 6.928 86 1HH2 ARG 11 1HH2 ARG 11 1.259 -5.315 7.445 87 2HH2 ARG 11 2HH2 ARG 11 0.744 -6.958 7.254 88 H GLY 12 H GLY 12 7.422 -5.454 4.973 89 1HA GLY 12 1HA GLY 12 8.418 -4.968 2.246 90 2HA GLY 12 2HA GLY 12 9.007 -6.228 3.319 91 HA PRO 13 HA PRO 13 9.640 -7.276 1.471 92 1HB PRO 13 1HB PRO 13 9.560 -8.249 -1.043 93 2HB PRO 13 2HB PRO 13 9.400 -9.293 0.375 94 1HG PRO 13 1HG PRO 13 7.273 -8.210 -1.432 95 2HG PRO 13 2HG PRO 13 7.434 -9.836 -0.741 96 1HD PRO 13 1HD PRO 13 5.775 -7.913 0.277 97 2HD PRO 13 2HD PRO 13 6.488 -9.212 1.253 98 H GLY 14 H GLY 14 10.321 -5.222 1.216 99 1HA GLY 14 1HA GLY 14 10.967 -3.334 0.046 100 2HA GLY 14 2HA GLY 14 10.164 -3.988 -1.375 101 H ARG 15 H ARG 15 10.101 -1.246 -0.483 102 HA ARG 15 HA ARG 15 7.722 -0.635 0.889 103 1HB ARG 15 1HB ARG 15 9.524 1.005 0.551 104 2HB ARG 15 2HB ARG 15 9.166 1.038 -1.171 105 1HG ARG 15 1HG ARG 15 7.459 2.447 -0.902 106 2HG ARG 15 2HG ARG 15 6.822 1.553 0.480 107 1HD ARG 15 1HD ARG 15 7.457 3.800 1.139 108 2HD ARG 15 2HD ARG 15 8.486 2.602 1.925 109 HE ARG 15 HE ARG 15 10.280 3.533 0.871 110 1HH1 ARG 15 1HH1 ARG 15 7.394 4.478 -0.845 111 2HH1 ARG 15 2HH1 ARG 15 8.235 5.518 -1.945 112 1HH2 ARG 15 1HH2 ARG 15 11.390 4.901 -0.573 113 2HH2 ARG 15 2HH2 ARG 15 10.506 5.758 -1.791 114 H ALA 16 H ALA 16 6.109 -1.941 0.086 115 HA ALA 16 HA ALA 16 5.234 -1.507 -2.687 116 1HB ALA 16 1HB ALA 16 5.584 -3.842 -1.564 117 2HB ALA 16 2HB ALA 16 3.989 -3.527 -0.879 118 3HB ALA 16 3HB ALA 16 4.205 -3.564 -2.629 119 H PHE 17 H PHE 17 2.629 -2.040 -2.572 120 HA PHE 17 HA PHE 17 1.389 -0.370 -0.553 121 1HB PHE 17 1HB PHE 17 0.804 1.396 -1.846 122 2HB PHE 17 2HB PHE 17 2.163 0.893 -2.831 123 HD1 PHE 17 HD1 PHE 17 1.315 -1.228 -4.433 124 HD2 PHE 17 HD2 PHE 17 -0.966 2.103 -3.054 125 HE1 PHE 17 HE1 PHE 17 -0.180 -1.459 -6.377 126 HE2 PHE 17 HE2 PHE 17 -2.462 1.871 -5.009 127 HZ PHE 17 HZ PHE 17 -2.073 0.091 -6.662 128 H VAL 18 H VAL 18 -0.849 -0.658 -0.369 129 HA VAL 18 HA VAL 18 -1.925 -2.953 -1.882 130 HB VAL 18 HB VAL 18 -2.740 -2.298 0.941 131 1HG1 VAL 18 1HG1 VAL 18 -3.181 -4.582 -0.931 132 2HG1 VAL 18 2HG1 VAL 18 -3.230 -4.848 0.810 133 3HG1 VAL 18 3HG1 VAL 18 -4.342 -3.702 0.065 134 1HG2 VAL 18 1HG2 VAL 18 -0.443 -3.992 0.011 135 2HG2 VAL 18 2HG2 VAL 18 -0.463 -2.742 1.255 136 3HG2 VAL 18 3HG2 VAL 18 -1.249 -4.293 1.550 137 H THR 19 H THR 19 -4.322 -2.967 -1.978 138 HA THR 19 HA THR 19 -5.325 -0.215 -2.155 139 HB THR 19 HB THR 19 -6.098 -2.650 -3.746 140 HG1 THR 19 HG1 THR 19 -4.491 -1.938 -4.889 141 1HG2 THR 19 1HG2 THR 19 -7.254 0.118 -3.764 142 2HG2 THR 19 2HG2 THR 19 -7.372 -0.978 -5.141 143 3HG2 THR 19 3HG2 THR 19 -8.097 -1.423 -3.596 144 H ILE 20 H ILE 20 -6.896 0.384 -0.985 145 HA ILE 20 HA ILE 20 -8.449 -1.499 0.622 146 HB ILE 20 HB ILE 20 -8.517 1.459 1.026 147 1HG1 ILE 20 1HG1 ILE 20 -6.339 -0.253 2.229 148 2HG1 ILE 20 2HG1 ILE 20 -6.085 0.724 0.786 149 1HG2 ILE 20 1HG2 ILE 20 -8.766 -0.959 2.775 150 2HG2 ILE 20 2HG2 ILE 20 -8.589 0.667 3.429 151 3HG2 ILE 20 3HG2 ILE 20 -9.977 0.270 2.418 152 1HD1 ILE 20 1HD1 ILE 20 -7.260 2.194 3.016 153 2HD1 ILE 20 2HD1 ILE 20 -5.649 1.548 3.336 154 3HD1 ILE 20 3HD1 ILE 20 -5.915 2.612 1.954 155 H GLY 21 H GLY 21 -10.738 -1.087 0.859 156 1HA GLY 21 1HA GLY 21 -12.826 -0.884 -0.108 157 2HA GLY 21 2HA GLY 21 -12.320 0.784 -0.322 Start of MODEL 5 1 H ARG 4 H ARG 4 -12.403 4.205 -5.707 2 HA ARG 4 HA ARG 4 -11.770 3.021 -4.025 3 1HB ARG 4 1HB ARG 4 -10.140 1.219 -4.413 4 2HB ARG 4 2HB ARG 4 -11.252 1.368 -5.765 5 1HG ARG 4 1HG ARG 4 -8.941 2.999 -6.246 6 2HG ARG 4 2HG ARG 4 -8.441 1.362 -5.821 7 1HD ARG 4 1HD ARG 4 -9.859 0.443 -7.561 8 2HD ARG 4 2HD ARG 4 -10.460 2.053 -7.957 9 HE ARG 4 HE ARG 4 -7.615 1.866 -8.155 10 1HH1 ARG 4 1HH1 ARG 4 -10.606 1.204 -9.819 11 2HH1 ARG 4 2HH1 ARG 4 -9.894 1.281 -11.396 12 1HH2 ARG 4 1HH2 ARG 4 -6.672 1.968 -10.230 13 2HH2 ARG 4 2HH2 ARG 4 -7.661 1.714 -11.629 14 H LYS 5 H LYS 5 -9.726 2.374 -2.604 15 HA LYS 5 HA LYS 5 -7.931 4.717 -2.485 16 1HB LYS 5 1HB LYS 5 -9.849 4.327 -0.669 17 2HB LYS 5 2HB LYS 5 -8.650 3.226 -0.009 18 1HG LYS 5 1HG LYS 5 -8.116 6.131 -0.582 19 2HG LYS 5 2HG LYS 5 -8.643 5.514 0.983 20 1HD LYS 5 1HD LYS 5 -6.625 4.044 1.006 21 2HD LYS 5 2HD LYS 5 -6.088 4.841 -0.471 22 1HE LYS 5 1HE LYS 5 -6.606 6.204 2.166 23 2HE LYS 5 2HE LYS 5 -5.019 5.794 1.516 24 1HZ LYS 5 1HZ LYS 5 -6.207 7.202 -0.489 25 2HZ LYS 5 2HZ LYS 5 -6.714 8.017 0.904 26 3HZ LYS 5 3HZ LYS 5 -5.063 7.807 0.601 27 H SER 6 H SER 6 -5.808 4.273 -2.104 28 HA SER 6 HA SER 6 -5.027 1.561 -1.368 29 1HB SER 6 1HB SER 6 -3.873 2.953 -3.802 30 2HB SER 6 2HB SER 6 -3.464 1.338 -3.216 31 HG SER 6 HG SER 6 -5.137 0.589 -4.255 32 H ILE 7 H ILE 7 -2.887 1.438 -0.484 33 HA ILE 7 HA ILE 7 -1.658 4.045 0.095 34 HB ILE 7 HB ILE 7 -1.038 2.928 2.366 35 1HG1 ILE 7 1HG1 ILE 7 -3.608 1.479 1.704 36 2HG1 ILE 7 2HG1 ILE 7 -2.016 0.733 1.781 37 1HG2 ILE 7 1HG2 ILE 7 -2.890 4.791 1.604 38 2HG2 ILE 7 2HG2 ILE 7 -3.829 3.668 2.588 39 3HG2 ILE 7 3HG2 ILE 7 -2.383 4.428 3.254 40 1HD1 ILE 7 1HD1 ILE 7 -3.404 2.083 4.084 41 2HD1 ILE 7 2HD1 ILE 7 -3.354 0.343 3.796 42 3HD1 ILE 7 3HD1 ILE 7 -1.863 1.224 4.137 43 H ARG 8 H ARG 8 0.504 4.126 0.482 44 HA ARG 8 HA ARG 8 2.077 1.895 -0.545 45 1HB ARG 8 1HB ARG 8 2.904 4.686 0.303 46 2HB ARG 8 2HB ARG 8 3.985 3.478 -0.372 47 1HG ARG 8 1HG ARG 8 3.566 4.406 -2.347 48 2HG ARG 8 2HG ARG 8 1.981 3.640 -2.257 49 1HD ARG 8 1HD ARG 8 2.618 6.401 -1.216 50 2HD ARG 8 2HD ARG 8 1.898 6.066 -2.790 51 HE ARG 8 HE ARG 8 0.338 4.844 -0.804 52 1HH1 ARG 8 1HH1 ARG 8 1.187 8.020 -1.957 53 2HH1 ARG 8 2HH1 ARG 8 -0.310 8.741 -1.467 54 1HH2 ARG 8 1HH2 ARG 8 -1.641 5.787 -0.158 55 2HH2 ARG 8 2HH2 ARG 8 -1.914 7.473 -0.445 56 H ILE 9 H ILE 9 2.247 0.354 1.034 57 HA ILE 9 HA ILE 9 2.328 1.124 3.781 58 HB ILE 9 HB ILE 9 2.275 -1.133 4.370 59 1HG1 ILE 9 1HG1 ILE 9 4.248 -1.882 3.071 60 2HG1 ILE 9 2HG1 ILE 9 2.900 -3.004 2.952 61 1HG2 ILE 9 1HG2 ILE 9 0.277 -0.345 3.152 62 2HG2 ILE 9 2HG2 ILE 9 0.929 -1.060 1.678 63 3HG2 ILE 9 3HG2 ILE 9 0.512 -2.089 3.047 64 1HD1 ILE 9 1HD1 ILE 9 2.380 -1.700 0.760 65 2HD1 ILE 9 2HD1 ILE 9 4.073 -1.225 0.887 66 3HD1 ILE 9 3HD1 ILE 9 3.641 -2.929 0.796 67 H GLN 10 H GLN 10 4.030 1.059 5.202 68 HA GLN 10 HA GLN 10 6.676 1.271 4.014 69 1HB GLN 10 1HB GLN 10 7.347 2.208 6.189 70 2HB GLN 10 2HB GLN 10 5.974 3.060 5.498 71 1HG GLN 10 1HG GLN 10 4.466 1.865 6.993 72 2HG GLN 10 2HG GLN 10 5.829 0.972 7.666 73 1HE2 GLN 10 2HE2 GLN 10 5.081 4.370 6.942 74 2HE2 GLN 10 1HE2 GLN 10 5.564 4.979 8.484 75 H ARG 11 H ARG 11 5.072 -1.305 4.843 76 HA ARG 11 HA ARG 11 7.129 -2.523 6.534 77 1HB ARG 11 1HB ARG 11 5.560 -4.421 6.731 78 2HB ARG 11 2HB ARG 11 4.848 -2.905 7.261 79 1HG ARG 11 1HG ARG 11 3.568 -2.720 5.258 80 2HG ARG 11 2HG ARG 11 4.414 -4.085 4.527 81 1HD ARG 11 1HD ARG 11 2.690 -4.241 6.999 82 2HD ARG 11 2HD ARG 11 2.160 -4.668 5.372 83 HE ARG 11 HE ARG 11 4.316 -6.223 5.662 84 1HH1 ARG 11 1HH1 ARG 11 1.595 -5.642 7.764 85 2HH1 ARG 11 2HH1 ARG 11 1.653 -7.217 8.484 86 1HH2 ARG 11 1HH2 ARG 11 4.396 -8.296 6.606 87 2HH2 ARG 11 2HH2 ARG 11 3.244 -8.724 7.827 88 H GLY 12 H GLY 12 7.490 -4.955 5.925 89 1HA GLY 12 1HA GLY 12 8.400 -4.937 3.135 90 2HA GLY 12 2HA GLY 12 9.017 -5.972 4.413 91 HA PRO 13 HA PRO 13 9.758 -7.301 2.914 92 1HB PRO 13 1HB PRO 13 9.915 -8.879 0.745 93 2HB PRO 13 2HB PRO 13 9.642 -9.541 2.362 94 1HG PRO 13 1HG PRO 13 7.678 -9.041 0.162 95 2HG PRO 13 2HG PRO 13 7.795 -10.423 1.266 96 1HD PRO 13 1HD PRO 13 6.035 -8.333 1.586 97 2HD PRO 13 2HD PRO 13 6.618 -9.357 2.913 98 H GLY 14 H GLY 14 10.336 -5.314 2.212 99 1HA GLY 14 1HA GLY 14 11.097 -3.837 0.581 100 2HA GLY 14 2HA GLY 14 10.283 -4.804 -0.639 101 H ARG 15 H ARG 15 10.353 -1.839 0.018 102 HA ARG 15 HA ARG 15 7.844 -1.029 0.941 103 1HB ARG 15 1HB ARG 15 8.375 1.077 -0.497 104 2HB ARG 15 2HB ARG 15 9.361 0.706 0.908 105 1HG ARG 15 1HG ARG 15 10.621 1.421 -1.130 106 2HG ARG 15 2HG ARG 15 11.131 -0.118 -0.438 107 1HD ARG 15 1HD ARG 15 9.908 -1.330 -2.119 108 2HD ARG 15 2HD ARG 15 9.232 0.164 -2.763 109 HE ARG 15 HE ARG 15 11.790 -0.955 -3.344 110 1HH1 ARG 15 1HH1 ARG 15 10.074 2.063 -3.018 111 2HH1 ARG 15 2HH1 ARG 15 11.137 2.928 -4.078 112 1HH2 ARG 15 1HH2 ARG 15 13.193 0.178 -4.735 113 2HH2 ARG 15 2HH2 ARG 15 12.908 1.857 -5.054 114 H ALA 16 H ALA 16 5.917 -0.534 -0.044 115 HA ALA 16 HA ALA 16 5.492 -0.618 -2.858 116 1HB ALA 16 1HB ALA 16 5.850 -3.093 -2.112 117 2HB ALA 16 2HB ALA 16 4.204 -2.944 -1.499 118 3HB ALA 16 3HB ALA 16 4.534 -2.687 -3.212 119 H PHE 17 H PHE 17 2.901 -1.324 -3.009 120 HA PHE 17 HA PHE 17 1.474 0.053 -0.890 121 1HB PHE 17 1HB PHE 17 0.810 1.876 -2.042 122 2HB PHE 17 2HB PHE 17 2.211 1.543 -3.045 123 HD1 PHE 17 HD1 PHE 17 1.622 -0.325 -4.946 124 HD2 PHE 17 HD2 PHE 17 -1.101 2.410 -3.128 125 HE1 PHE 17 HE1 PHE 17 0.162 -0.481 -6.919 126 HE2 PHE 17 HE2 PHE 17 -2.562 2.252 -5.114 127 HZ PHE 17 HZ PHE 17 -1.934 0.808 -7.002 128 H VAL 18 H VAL 18 -0.663 -0.482 -0.703 129 HA VAL 18 HA VAL 18 -1.623 -2.643 -2.464 130 HB VAL 18 HB VAL 18 -2.318 -2.484 0.456 131 1HG1 VAL 18 1HG1 VAL 18 -2.520 -4.557 -1.687 132 2HG1 VAL 18 2HG1 VAL 18 -2.481 -5.029 0.011 133 3HG1 VAL 18 3HG1 VAL 18 -3.757 -3.964 -0.576 134 1HG2 VAL 18 1HG2 VAL 18 0.139 -3.702 -0.768 135 2HG2 VAL 18 2HG2 VAL 18 0.015 -2.623 0.623 136 3HG2 VAL 18 3HG2 VAL 18 -0.533 -4.295 0.750 137 H THR 19 H THR 19 -4.005 -2.881 -2.412 138 HA THR 19 HA THR 19 -5.264 -0.245 -2.244 139 HB THR 19 HB THR 19 -6.118 -2.743 -3.712 140 HG1 THR 19 HG1 THR 19 -4.883 -1.936 -5.191 141 1HG2 THR 19 1HG2 THR 19 -7.407 -0.025 -3.632 142 2HG2 THR 19 2HG2 THR 19 -7.755 -1.261 -4.841 143 3HG2 THR 19 3HG2 THR 19 -8.119 -1.562 -3.142 144 H ILE 20 H ILE 20 -7.314 0.003 -1.321 145 HA ILE 20 HA ILE 20 -7.944 -1.952 0.776 146 HB ILE 20 HB ILE 20 -8.698 0.955 0.860 147 1HG1 ILE 20 1HG1 ILE 20 -6.143 -0.303 1.891 148 2HG1 ILE 20 2HG1 ILE 20 -6.266 0.880 0.592 149 1HG2 ILE 20 1HG2 ILE 20 -8.602 -1.300 2.808 150 2HG2 ILE 20 2HG2 ILE 20 -8.429 0.357 3.381 151 3HG2 ILE 20 3HG2 ILE 20 -9.883 -0.123 2.509 152 1HD1 ILE 20 1HD1 ILE 20 -7.458 2.260 2.544 153 2HD1 ILE 20 2HD1 ILE 20 -6.388 1.248 3.513 154 3HD1 ILE 20 3HD1 ILE 20 -5.718 2.291 2.258 155 H GLY 21 H GLY 21 -10.256 -1.959 1.443 156 1HA GLY 21 1HA GLY 21 -12.294 -0.897 -0.204 157 2HA GLY 21 2HA GLY 21 -11.960 -2.559 -0.671 Start of MODEL 6 1 H ARG 4 H ARG 4 -11.082 4.383 -5.793 2 HA ARG 4 HA ARG 4 -11.068 2.409 -4.577 3 1HB ARG 4 1HB ARG 4 -10.655 1.181 -6.913 4 2HB ARG 4 2HB ARG 4 -8.988 1.210 -6.358 5 1HG ARG 4 1HG ARG 4 -9.564 -0.050 -4.393 6 2HG ARG 4 2HG ARG 4 -11.281 0.039 -4.794 7 1HD ARG 4 1HD ARG 4 -10.821 -1.211 -6.880 8 2HD ARG 4 2HD ARG 4 -9.135 -1.360 -6.393 9 HE ARG 4 HE ARG 4 -10.588 -2.384 -4.303 10 1HH1 ARG 4 1HH1 ARG 4 -10.273 -3.065 -7.709 11 2HH1 ARG 4 2HH1 ARG 4 -10.625 -4.751 -7.533 12 1HH2 ARG 4 1HH2 ARG 4 -11.052 -4.601 -4.066 13 2HH2 ARG 4 2HH2 ARG 4 -11.068 -5.624 -5.464 14 H LYS 5 H LYS 5 -10.044 3.424 -2.925 15 HA LYS 5 HA LYS 5 -7.667 4.867 -3.103 16 1HB LYS 5 1HB LYS 5 -9.421 4.886 -1.233 17 2HB LYS 5 2HB LYS 5 -8.563 3.491 -0.583 18 1HG LYS 5 1HG LYS 5 -6.547 4.792 -0.330 19 2HG LYS 5 2HG LYS 5 -7.315 6.186 -1.093 20 1HD LYS 5 1HD LYS 5 -8.925 6.311 0.740 21 2HD LYS 5 2HD LYS 5 -8.187 4.899 1.496 22 1HE LYS 5 1HE LYS 5 -7.420 6.963 2.549 23 2HE LYS 5 2HE LYS 5 -6.090 6.128 1.750 24 1HZ LYS 5 1HZ LYS 5 -7.455 8.061 0.095 25 2HZ LYS 5 2HZ LYS 5 -6.666 8.729 1.435 26 3HZ LYS 5 3HZ LYS 5 -5.798 7.803 0.317 27 H SER 6 H SER 6 -5.574 4.463 -2.480 28 HA SER 6 HA SER 6 -4.779 1.736 -1.839 29 1HB SER 6 1HB SER 6 -3.659 3.268 -4.201 30 2HB SER 6 2HB SER 6 -3.007 1.751 -3.580 31 HG SER 6 HG SER 6 -5.632 2.143 -4.612 32 H ILE 7 H ILE 7 -2.691 1.628 -0.807 33 HA ILE 7 HA ILE 7 -1.592 4.247 -0.040 34 HB ILE 7 HB ILE 7 -1.058 3.001 2.203 35 1HG1 ILE 7 1HG1 ILE 7 -3.587 1.592 1.328 36 2HG1 ILE 7 2HG1 ILE 7 -1.997 0.843 1.437 37 1HG2 ILE 7 1HG2 ILE 7 -3.120 4.761 1.357 38 2HG2 ILE 7 2HG2 ILE 7 -3.754 3.676 2.596 39 3HG2 ILE 7 3HG2 ILE 7 -2.315 4.640 2.924 40 1HD1 ILE 7 1HD1 ILE 7 -3.459 2.072 3.759 41 2HD1 ILE 7 2HD1 ILE 7 -3.466 0.355 3.358 42 3HD1 ILE 7 3HD1 ILE 7 -1.958 1.148 3.813 43 H ARG 8 H ARG 8 0.538 4.386 0.481 44 HA ARG 8 HA ARG 8 2.265 2.307 -0.597 45 1HB ARG 8 1HB ARG 8 2.970 4.994 0.619 46 2HB ARG 8 2HB ARG 8 4.073 3.926 -0.239 47 1HG ARG 8 1HG ARG 8 2.773 4.231 -2.289 48 2HG ARG 8 2HG ARG 8 1.673 5.305 -1.428 49 1HD ARG 8 1HD ARG 8 3.473 6.874 -1.022 50 2HD ARG 8 2HD ARG 8 4.633 5.778 -1.773 51 HE ARG 8 HE ARG 8 4.007 6.619 -3.790 52 1HH1 ARG 8 1HH1 ARG 8 1.397 7.169 -1.541 53 2HH1 ARG 8 2HH1 ARG 8 0.419 8.019 -2.689 54 1HH2 ARG 8 1HH2 ARG 8 2.722 7.734 -5.304 55 2HH2 ARG 8 2HH2 ARG 8 1.172 8.341 -4.829 56 H ILE 9 H ILE 9 2.269 0.626 0.844 57 HA ILE 9 HA ILE 9 2.231 1.094 3.660 58 HB ILE 9 HB ILE 9 2.112 -1.224 3.969 59 1HG1 ILE 9 1HG1 ILE 9 4.140 -1.864 2.693 60 2HG1 ILE 9 2HG1 ILE 9 2.779 -2.921 2.351 61 1HG2 ILE 9 1HG2 ILE 9 0.263 -0.123 2.573 62 2HG2 ILE 9 2HG2 ILE 9 0.931 -1.038 1.221 63 3HG2 ILE 9 3HG2 ILE 9 0.317 -1.884 2.639 64 1HD1 ILE 9 1HD1 ILE 9 2.413 -1.361 0.315 65 2HD1 ILE 9 2HD1 ILE 9 4.091 -0.903 0.606 66 3HD1 ILE 9 3HD1 ILE 9 3.682 -2.583 0.275 67 H GLN 10 H GLN 10 3.866 0.512 5.180 68 HA GLN 10 HA GLN 10 6.567 0.937 4.150 69 1HB GLN 10 1HB GLN 10 7.175 1.364 6.503 70 2HB GLN 10 2HB GLN 10 5.874 2.407 5.949 71 1HG GLN 10 1HG GLN 10 4.245 1.003 7.095 72 2HG GLN 10 2HG GLN 10 5.536 -0.072 7.628 73 1HE2 GLN 10 2HE2 GLN 10 7.188 0.857 9.022 74 2HE2 GLN 10 1HE2 GLN 10 6.747 2.117 10.116 75 H ARG 11 H ARG 11 4.802 -1.677 4.462 76 HA ARG 11 HA ARG 11 6.814 -3.317 5.825 77 1HB ARG 11 1HB ARG 11 5.127 -5.109 5.769 78 2HB ARG 11 2HB ARG 11 4.515 -3.663 6.559 79 1HG ARG 11 1HG ARG 11 3.294 -3.058 4.549 80 2HG ARG 11 2HG ARG 11 3.934 -4.475 3.716 81 1HD ARG 11 1HD ARG 11 1.672 -4.894 4.498 82 2HD ARG 11 2HD ARG 11 2.821 -5.926 5.348 83 HE ARG 11 HE ARG 11 2.396 -3.583 6.847 84 1HH1 ARG 11 1HH1 ARG 11 0.746 -6.498 5.887 85 2HH1 ARG 11 2HH1 ARG 11 -0.273 -6.536 7.287 86 1HH2 ARG 11 1HH2 ARG 11 1.054 -3.623 8.690 87 2HH2 ARG 11 2HH2 ARG 11 -0.098 -4.902 8.878 88 H GLY 12 H GLY 12 6.703 -5.694 4.661 89 1HA GLY 12 1HA GLY 12 7.762 -5.156 1.975 90 2HA GLY 12 2HA GLY 12 8.103 -6.575 2.953 91 HA PRO 13 HA PRO 13 8.675 -7.614 1.133 92 1HB PRO 13 1HB PRO 13 8.125 -8.318 -1.629 93 2HB PRO 13 2HB PRO 13 8.717 -9.348 -0.325 94 1HG PRO 13 1HG PRO 13 6.240 -9.614 -1.433 95 2HG PRO 13 2HG PRO 13 6.613 -10.062 0.242 96 1HD PRO 13 1HD PRO 13 5.301 -7.577 -0.808 97 2HD PRO 13 2HD PRO 13 4.880 -8.557 0.615 98 H GLY 14 H GLY 14 9.749 -5.739 0.975 99 1HA GLY 14 1HA GLY 14 10.772 -3.947 -0.061 100 2HA GLY 14 2HA GLY 14 9.992 -4.427 -1.559 101 H ARG 15 H ARG 15 10.285 -1.749 -0.809 102 HA ARG 15 HA ARG 15 7.831 -0.829 0.369 103 1HB ARG 15 1HB ARG 15 10.232 0.528 -0.802 104 2HB ARG 15 2HB ARG 15 8.758 1.447 -0.536 105 1HG ARG 15 1HG ARG 15 10.194 1.733 1.356 106 2HG ARG 15 2HG ARG 15 8.805 0.763 1.843 107 1HD ARG 15 1HD ARG 15 10.714 -0.245 2.820 108 2HD ARG 15 2HD ARG 15 10.242 -1.276 1.471 109 HE ARG 15 HE ARG 15 12.220 -0.762 0.423 110 1HH1 ARG 15 1HH1 ARG 15 11.705 1.445 3.074 111 2HH1 ARG 15 2HH1 ARG 15 13.284 2.146 2.968 112 1HH2 ARG 15 1HH2 ARG 15 14.308 0.156 0.280 113 2HH2 ARG 15 2HH2 ARG 15 14.763 1.415 1.380 114 H ALA 16 H ALA 16 5.994 -0.541 -0.597 115 HA ALA 16 HA ALA 16 5.730 0.421 -3.296 116 1HB ALA 16 1HB ALA 16 6.134 -2.124 -3.441 117 2HB ALA 16 2HB ALA 16 4.506 -2.269 -2.779 118 3HB ALA 16 3HB ALA 16 4.766 -1.442 -4.315 119 H PHE 17 H PHE 17 3.125 -0.299 -3.723 120 HA PHE 17 HA PHE 17 1.717 0.549 -1.307 121 1HB PHE 17 1HB PHE 17 0.734 2.407 -2.211 122 2HB PHE 17 2HB PHE 17 2.255 2.437 -3.084 123 HD1 PHE 17 HD1 PHE 17 2.042 0.721 -5.273 124 HD2 PHE 17 HD2 PHE 17 -1.036 3.053 -3.464 125 HE1 PHE 17 HE1 PHE 17 0.816 0.737 -7.403 126 HE2 PHE 17 HE2 PHE 17 -2.266 3.068 -5.608 127 HZ PHE 17 HZ PHE 17 -1.342 1.909 -7.571 128 H VAL 18 H VAL 18 -0.335 -0.164 -1.067 129 HA VAL 18 HA VAL 18 -1.252 -2.176 -3.014 130 HB VAL 18 HB VAL 18 -2.287 -3.374 -1.123 131 1HG1 VAL 18 1HG1 VAL 18 -0.071 -4.022 -1.883 132 2HG1 VAL 18 2HG1 VAL 18 0.659 -2.877 -0.757 133 3HG1 VAL 18 3HG1 VAL 18 -0.241 -4.265 -0.145 134 1HG2 VAL 18 1HG2 VAL 18 -1.026 -1.182 0.500 135 2HG2 VAL 18 2HG2 VAL 18 -2.707 -1.708 0.487 136 3HG2 VAL 18 3HG2 VAL 18 -1.465 -2.738 1.200 137 H THR 19 H THR 19 -3.645 -2.615 -2.788 138 HA THR 19 HA THR 19 -5.012 -0.034 -2.712 139 HB THR 19 HB THR 19 -5.789 -2.688 -3.912 140 HG1 THR 19 HG1 THR 19 -4.935 -0.189 -4.911 141 1HG2 THR 19 1HG2 THR 19 -7.379 -0.159 -3.675 142 2HG2 THR 19 2HG2 THR 19 -7.634 -1.309 -4.986 143 3HG2 THR 19 3HG2 THR 19 -7.873 -1.813 -3.313 144 H ILE 20 H ILE 20 -7.006 0.239 -1.663 145 HA ILE 20 HA ILE 20 -7.338 -1.465 0.700 146 HB ILE 20 HB ILE 20 -8.433 1.317 0.379 147 1HG1 ILE 20 1HG1 ILE 20 -5.738 0.504 1.496 148 2HG1 ILE 20 2HG1 ILE 20 -6.010 1.432 0.025 149 1HG2 ILE 20 1HG2 ILE 20 -8.031 -0.571 2.660 150 2HG2 ILE 20 2HG2 ILE 20 -8.065 1.168 2.948 151 3HG2 ILE 20 3HG2 ILE 20 -9.458 0.371 2.221 152 1HD1 ILE 20 1HD1 ILE 20 -7.332 2.901 1.925 153 2HD1 ILE 20 2HD1 ILE 20 -5.920 2.300 2.792 154 3HD1 ILE 20 3HD1 ILE 20 -5.712 3.222 1.304 155 H GLY 21 H GLY 21 -9.593 -1.647 1.508 156 1HA GLY 21 1HA GLY 21 -11.801 -1.159 -0.221 157 2HA GLY 21 2HA GLY 21 -11.293 -2.840 -0.302 Start of MODEL 7 1 H ARG 4 H ARG 4 -11.348 5.179 -5.453 2 HA ARG 4 HA ARG 4 -11.505 2.668 -4.240 3 1HB ARG 4 1HB ARG 4 -11.059 2.071 -6.712 4 2HB ARG 4 2HB ARG 4 -9.495 2.842 -6.490 5 1HG ARG 4 1HG ARG 4 -9.187 0.508 -6.214 6 2HG ARG 4 2HG ARG 4 -9.068 1.241 -4.613 7 1HD ARG 4 1HD ARG 4 -11.344 0.576 -4.107 8 2HD ARG 4 2HD ARG 4 -11.545 -0.068 -5.734 9 HE ARG 4 HE ARG 4 -9.362 -1.285 -4.364 10 1HH1 ARG 4 1HH1 ARG 4 -12.830 -1.287 -4.682 11 2HH1 ARG 4 2HH1 ARG 4 -13.008 -2.932 -4.169 12 1HH2 ARG 4 1HH2 ARG 4 -9.585 -3.456 -3.689 13 2HH2 ARG 4 2HH2 ARG 4 -11.164 -4.164 -3.606 14 H LYS 5 H LYS 5 -9.486 2.357 -2.995 15 HA LYS 5 HA LYS 5 -7.879 4.828 -2.807 16 1HB LYS 5 1HB LYS 5 -9.700 4.067 -0.933 17 2HB LYS 5 2HB LYS 5 -8.267 3.236 -0.347 18 1HG LYS 5 1HG LYS 5 -8.511 6.196 -0.857 19 2HG LYS 5 2HG LYS 5 -8.529 5.404 0.720 20 1HD LYS 5 1HD LYS 5 -6.233 4.541 0.221 21 2HD LYS 5 2HD LYS 5 -6.241 5.530 -1.239 22 1HE LYS 5 1HE LYS 5 -6.532 7.540 0.107 23 2HE LYS 5 2HE LYS 5 -6.551 6.562 1.574 24 1HZ LYS 5 1HZ LYS 5 -4.244 6.133 -0.106 25 2HZ LYS 5 2HZ LYS 5 -4.357 7.703 0.516 26 3HZ LYS 5 3HZ LYS 5 -4.338 6.377 1.567 27 H SER 6 H SER 6 -5.685 4.532 -2.397 28 HA SER 6 HA SER 6 -4.720 1.818 -1.952 29 1HB SER 6 1HB SER 6 -3.633 3.540 -4.180 30 2HB SER 6 2HB SER 6 -3.132 1.903 -3.771 31 HG SER 6 HG SER 6 -5.331 2.784 -5.186 32 H ILE 7 H ILE 7 -2.791 1.709 -0.819 33 HA ILE 7 HA ILE 7 -1.541 4.278 -0.125 34 HB ILE 7 HB ILE 7 -1.114 3.084 2.171 35 1HG1 ILE 7 1HG1 ILE 7 -3.759 1.870 1.351 36 2HG1 ILE 7 2HG1 ILE 7 -2.240 0.987 1.467 37 1HG2 ILE 7 1HG2 ILE 7 -2.842 5.067 1.293 38 2HG2 ILE 7 2HG2 ILE 7 -3.816 4.032 2.338 39 3HG2 ILE 7 3HG2 ILE 7 -2.321 4.740 2.947 40 1HD1 ILE 7 1HD1 ILE 7 -2.139 1.494 3.857 41 2HD1 ILE 7 2HD1 ILE 7 -3.679 2.350 3.730 42 3HD1 ILE 7 3HD1 ILE 7 -3.606 0.614 3.425 43 H ARG 8 H ARG 8 0.587 4.293 0.365 44 HA ARG 8 HA ARG 8 2.152 2.035 -0.587 45 1HB ARG 8 1HB ARG 8 3.074 4.710 0.496 46 2HB ARG 8 2HB ARG 8 4.075 3.520 -0.328 47 1HG ARG 8 1HG ARG 8 2.590 3.829 -2.340 48 2HG ARG 8 2HG ARG 8 1.871 5.200 -1.497 49 1HD ARG 8 1HD ARG 8 3.619 5.937 -3.023 50 2HD ARG 8 2HD ARG 8 4.071 6.260 -1.350 51 HE ARG 8 HE ARG 8 5.877 4.907 -1.655 52 1HH1 ARG 8 1HH1 ARG 8 3.464 4.032 -4.020 53 2HH1 ARG 8 2HH1 ARG 8 4.465 2.845 -4.788 54 1HH2 ARG 8 1HH2 ARG 8 7.196 3.347 -2.663 55 2HH2 ARG 8 2HH2 ARG 8 6.585 2.456 -4.017 56 H ILE 9 H ILE 9 2.182 0.430 0.907 57 HA ILE 9 HA ILE 9 2.070 1.049 3.692 58 HB ILE 9 HB ILE 9 2.005 -1.275 4.145 59 1HG1 ILE 9 1HG1 ILE 9 3.946 -1.835 2.544 60 2HG1 ILE 9 2HG1 ILE 9 2.675 -3.032 2.735 61 1HG2 ILE 9 1HG2 ILE 9 0.598 -0.731 1.537 62 2HG2 ILE 9 2HG2 ILE 9 0.232 -2.067 2.629 63 3HG2 ILE 9 3HG2 ILE 9 -0.014 -0.403 3.159 64 1HD1 ILE 9 1HD1 ILE 9 1.833 -1.506 0.590 65 2HD1 ILE 9 2HD1 ILE 9 3.577 -1.647 0.377 66 3HD1 ILE 9 3HD1 ILE 9 2.590 -3.095 0.529 67 H GLN 10 H GLN 10 3.630 0.446 5.274 68 HA GLN 10 HA GLN 10 6.368 0.912 4.395 69 1HB GLN 10 1HB GLN 10 5.199 0.807 7.185 70 2HB GLN 10 2HB GLN 10 6.826 1.325 6.769 71 1HG GLN 10 1HG GLN 10 5.322 3.211 7.215 72 2HG GLN 10 2HG GLN 10 5.963 3.233 5.573 73 1HE2 GLN 10 2HE2 GLN 10 4.406 4.238 4.459 74 2HE2 GLN 10 1HE2 GLN 10 2.760 3.726 4.370 75 H ARG 11 H ARG 11 4.719 -1.744 4.387 76 HA ARG 11 HA ARG 11 6.527 -3.411 5.974 77 1HB ARG 11 1HB ARG 11 4.117 -4.307 4.389 78 2HB ARG 11 2HB ARG 11 4.944 -5.183 5.667 79 1HG ARG 11 1HG ARG 11 4.207 -3.481 7.286 80 2HG ARG 11 2HG ARG 11 3.331 -2.660 5.995 81 1HD ARG 11 1HD ARG 11 1.758 -3.996 7.187 82 2HD ARG 11 2HD ARG 11 2.044 -4.778 5.634 83 HE ARG 11 HE ARG 11 2.884 -6.585 6.750 84 1HH1 ARG 11 1HH1 ARG 11 2.869 -3.848 8.908 85 2HH1 ARG 11 2HH1 ARG 11 3.350 -4.771 10.292 86 1HH2 ARG 11 1HH2 ARG 11 3.516 -7.809 8.573 87 2HH2 ARG 11 2HH2 ARG 11 3.719 -7.019 10.101 88 H GLY 12 H GLY 12 6.725 -5.715 4.706 89 1HA GLY 12 1HA GLY 12 8.270 -5.042 2.303 90 2HA GLY 12 2HA GLY 12 8.444 -6.498 3.269 91 HA PRO 13 HA PRO 13 9.411 -7.379 1.382 92 1HB PRO 13 1HB PRO 13 9.790 -7.706 -1.283 93 2HB PRO 13 2HB PRO 13 9.279 -9.024 -0.223 94 1HG PRO 13 1HG PRO 13 7.627 -7.296 -2.029 95 2HG PRO 13 2HG PRO 13 7.545 -9.050 -1.776 96 1HD PRO 13 1HD PRO 13 5.822 -7.319 -0.596 97 2HD PRO 13 2HD PRO 13 6.328 -8.839 0.171 98 H GLY 14 H GLY 14 10.887 -5.792 1.298 99 1HA GLY 14 1HA GLY 14 11.847 -3.749 0.876 100 2HA GLY 14 2HA GLY 14 11.148 -3.875 -0.729 101 H ARG 15 H ARG 15 9.496 -2.596 -1.258 102 HA ARG 15 HA ARG 15 7.744 -1.433 0.696 103 1HB ARG 15 1HB ARG 15 9.751 0.022 0.871 104 2HB ARG 15 2HB ARG 15 9.588 0.408 -0.837 105 1HG ARG 15 1HG ARG 15 8.006 1.930 -0.449 106 2HG ARG 15 2HG ARG 15 7.131 0.868 0.657 107 1HD ARG 15 1HD ARG 15 7.918 2.879 1.796 108 2HD ARG 15 2HD ARG 15 8.682 1.427 2.445 109 HE ARG 15 HE ARG 15 10.244 2.669 0.394 110 1HH1 ARG 15 1HH1 ARG 15 9.442 2.775 3.785 111 2HH1 ARG 15 2HH1 ARG 15 10.933 3.530 4.243 112 1HH2 ARG 15 1HH2 ARG 15 12.203 3.665 0.988 113 2HH2 ARG 15 2HH2 ARG 15 12.501 4.038 2.653 114 H ALA 16 H ALA 16 5.816 -0.977 -0.210 115 HA ALA 16 HA ALA 16 5.528 -0.279 -2.995 116 1HB ALA 16 1HB ALA 16 5.821 -2.835 -2.864 117 2HB ALA 16 2HB ALA 16 4.199 -2.834 -2.173 118 3HB ALA 16 3HB ALA 16 4.467 -2.192 -3.793 119 H PHE 17 H PHE 17 2.921 -0.851 -3.374 120 HA PHE 17 HA PHE 17 1.502 0.228 -1.057 121 1HB PHE 17 1HB PHE 17 0.693 2.100 -2.093 122 2HB PHE 17 2HB PHE 17 2.224 1.965 -2.937 123 HD1 PHE 17 HD1 PHE 17 1.920 0.146 -5.027 124 HD2 PHE 17 HD2 PHE 17 -1.013 2.784 -3.408 125 HE1 PHE 17 HE1 PHE 17 0.723 0.120 -7.174 126 HE2 PHE 17 HE2 PHE 17 -2.212 2.759 -5.566 127 HZ PHE 17 HZ PHE 17 -1.347 1.426 -7.445 128 H VAL 18 H VAL 18 -0.691 -0.257 -0.952 129 HA VAL 18 HA VAL 18 -1.586 -2.350 -2.829 130 HB VAL 18 HB VAL 18 -2.441 -2.198 0.051 131 1HG1 VAL 18 1HG1 VAL 18 -2.678 -4.209 -2.139 132 2HG1 VAL 18 2HG1 VAL 18 -2.667 -4.738 -0.458 133 3HG1 VAL 18 3HG1 VAL 18 -3.903 -3.614 -1.017 134 1HG2 VAL 18 1HG2 VAL 18 -0.001 -3.515 -1.097 135 2HG2 VAL 18 2HG2 VAL 18 -0.128 -2.450 0.303 136 3HG2 VAL 18 3HG2 VAL 18 -0.760 -4.093 0.385 137 H THR 19 H THR 19 -3.988 -2.574 -2.902 138 HA THR 19 HA THR 19 -5.259 0.071 -2.675 139 HB THR 19 HB THR 19 -5.868 -2.173 -4.608 140 HG1 THR 19 HG1 THR 19 -4.706 0.378 -5.049 141 1HG2 THR 19 1HG2 THR 19 -7.805 -0.662 -3.960 142 2HG2 THR 19 2HG2 THR 19 -6.911 0.631 -4.757 143 3HG2 THR 19 3HG2 THR 19 -7.416 -0.787 -5.676 144 H ILE 20 H ILE 20 -7.230 0.246 -1.720 145 HA ILE 20 HA ILE 20 -8.465 -2.136 -0.582 146 HB ILE 20 HB ILE 20 -9.215 -0.163 1.121 147 1HG1 ILE 20 1HG1 ILE 20 -7.540 1.331 -0.047 148 2HG1 ILE 20 2HG1 ILE 20 -7.396 1.226 1.703 149 1HG2 ILE 20 1HG2 ILE 20 -6.918 -2.090 1.304 150 2HG2 ILE 20 2HG2 ILE 20 -7.481 -1.133 2.674 151 3HG2 ILE 20 3HG2 ILE 20 -8.561 -2.298 1.908 152 1HD1 ILE 20 1HD1 ILE 20 -5.773 -0.755 0.354 153 2HD1 ILE 20 2HD1 ILE 20 -5.375 0.892 -0.138 154 3HD1 ILE 20 3HD1 ILE 20 -5.327 0.440 1.567 155 H GLY 21 H GLY 21 -10.760 -1.971 -0.199 156 1HA GLY 21 1HA GLY 21 -12.636 -0.208 -0.528 157 2HA GLY 21 2HA GLY 21 -12.061 -0.243 -2.188 Start of MODEL 8 1 H ARG 4 H ARG 4 -11.309 4.520 -4.988 2 HA ARG 4 HA ARG 4 -11.236 2.392 -3.244 3 1HB ARG 4 1HB ARG 4 -9.621 1.952 -5.771 4 2HB ARG 4 2HB ARG 4 -9.553 0.971 -4.312 5 1HG ARG 4 1HG ARG 4 -11.881 0.292 -4.660 6 2HG ARG 4 2HG ARG 4 -11.939 1.264 -6.132 7 1HD ARG 4 1HD ARG 4 -10.091 -0.112 -7.055 8 2HD ARG 4 2HD ARG 4 -10.163 -1.121 -5.610 9 HE ARG 4 HE ARG 4 -12.008 -2.157 -6.474 10 1HH1 ARG 4 1HH1 ARG 4 -11.489 0.827 -8.208 11 2HH1 ARG 4 2HH1 ARG 4 -12.737 0.517 -9.369 12 1HH2 ARG 4 1HH2 ARG 4 -13.647 -2.568 -7.997 13 2HH2 ARG 4 2HH2 ARG 4 -13.962 -1.413 -9.250 14 H LYS 5 H LYS 5 -8.985 2.234 -2.360 15 HA LYS 5 HA LYS 5 -7.414 4.698 -2.798 16 1HB LYS 5 1HB LYS 5 -8.388 3.476 -0.227 17 2HB LYS 5 2HB LYS 5 -6.895 4.403 -0.249 18 1HG LYS 5 1HG LYS 5 -7.999 6.383 -0.827 19 2HG LYS 5 2HG LYS 5 -9.474 5.530 -1.288 20 1HD LYS 5 1HD LYS 5 -9.748 6.649 0.867 21 2HD LYS 5 2HD LYS 5 -9.834 4.897 1.055 22 1HE LYS 5 1HE LYS 5 -7.520 4.855 1.828 23 2HE LYS 5 2HE LYS 5 -7.403 6.600 1.600 24 1HZ LYS 5 1HZ LYS 5 -9.580 5.682 3.291 25 2HZ LYS 5 2HZ LYS 5 -8.025 5.462 3.916 26 3HZ LYS 5 3HZ LYS 5 -8.549 7.010 3.476 27 H SER 6 H SER 6 -5.120 4.426 -2.327 28 HA SER 6 HA SER 6 -4.258 1.690 -1.816 29 1HB SER 6 1HB SER 6 -3.434 3.230 -4.297 30 2HB SER 6 2HB SER 6 -2.663 1.743 -3.740 31 HG SER 6 HG SER 6 -5.433 1.697 -4.016 32 H ILE 7 H ILE 7 -2.226 1.567 -0.823 33 HA ILE 7 HA ILE 7 -0.882 4.139 -0.340 34 HB ILE 7 HB ILE 7 -0.349 3.220 1.989 35 1HG1 ILE 7 1HG1 ILE 7 -2.776 1.534 1.345 36 2HG1 ILE 7 2HG1 ILE 7 -1.141 0.933 1.596 37 1HG2 ILE 7 1HG2 ILE 7 -2.577 4.712 1.013 38 2HG2 ILE 7 2HG2 ILE 7 -3.055 3.778 2.432 39 3HG2 ILE 7 3HG2 ILE 7 -1.678 4.874 2.524 40 1HD1 ILE 7 1HD1 ILE 7 -1.237 1.816 3.911 41 2HD1 ILE 7 2HD1 ILE 7 -2.926 2.239 3.630 42 3HD1 ILE 7 3HD1 ILE 7 -2.420 0.551 3.573 43 H ARG 8 H ARG 8 1.284 4.131 0.038 44 HA ARG 8 HA ARG 8 2.726 1.780 -0.859 45 1HB ARG 8 1HB ARG 8 4.752 3.252 -0.669 46 2HB ARG 8 2HB ARG 8 3.555 3.827 -1.815 47 1HG ARG 8 1HG ARG 8 3.581 4.892 0.981 48 2HG ARG 8 2HG ARG 8 4.733 5.489 -0.209 49 1HD ARG 8 1HD ARG 8 1.724 5.608 -0.358 50 2HD ARG 8 2HD ARG 8 2.842 6.952 -0.183 51 HE ARG 8 HE ARG 8 3.441 5.569 -2.552 52 1HH1 ARG 8 1HH1 ARG 8 0.990 7.635 -1.176 53 2HH1 ARG 8 2HH1 ARG 8 0.481 8.269 -2.705 54 1HH2 ARG 8 1HH2 ARG 8 2.771 6.401 -4.572 55 2HH2 ARG 8 2HH2 ARG 8 1.491 7.568 -4.633 56 H ILE 9 H ILE 9 2.745 0.293 0.719 57 HA ILE 9 HA ILE 9 2.742 1.042 3.463 58 HB ILE 9 HB ILE 9 2.549 -1.226 4.003 59 1HG1 ILE 9 1HG1 ILE 9 4.571 -2.046 2.834 60 2HG1 ILE 9 2HG1 ILE 9 3.187 -3.091 2.552 61 1HG2 ILE 9 1HG2 ILE 9 0.722 -0.259 2.536 62 2HG2 ILE 9 2HG2 ILE 9 1.420 -1.203 1.220 63 3HG2 ILE 9 3HG2 ILE 9 0.791 -2.018 2.652 64 1HD1 ILE 9 1HD1 ILE 9 2.873 -1.923 0.364 65 2HD1 ILE 9 2HD1 ILE 9 4.414 -1.117 0.658 66 3HD1 ILE 9 3HD1 ILE 9 4.353 -2.873 0.511 67 H GLN 10 H GLN 10 4.368 0.635 5.035 68 HA GLN 10 HA GLN 10 7.069 0.837 3.947 69 1HB GLN 10 1HB GLN 10 6.086 1.208 6.785 70 2HB GLN 10 2HB GLN 10 7.713 1.539 6.209 71 1HG GLN 10 1HG GLN 10 6.459 3.590 6.437 72 2HG GLN 10 2HG GLN 10 6.839 3.286 4.742 73 1HE2 GLN 10 2HE2 GLN 10 5.190 4.440 3.859 74 2HE2 GLN 10 1HE2 GLN 10 3.525 4.014 4.027 75 H ARG 11 H ARG 11 5.235 -1.658 4.526 76 HA ARG 11 HA ARG 11 7.172 -3.220 6.073 77 1HB ARG 11 1HB ARG 11 5.388 -4.983 6.055 78 2HB ARG 11 2HB ARG 11 4.914 -3.490 6.851 79 1HG ARG 11 1HG ARG 11 3.683 -2.814 4.857 80 2HG ARG 11 2HG ARG 11 4.160 -4.310 4.053 81 1HD ARG 11 1HD ARG 11 1.882 -4.434 4.966 82 2HD ARG 11 2HD ARG 11 2.958 -5.615 5.712 83 HE ARG 11 HE ARG 11 3.033 -3.390 7.336 84 1HH1 ARG 11 1HH1 ARG 11 0.588 -5.628 6.232 85 2HH1 ARG 11 2HH1 ARG 11 -0.396 -5.434 7.644 86 1HH2 ARG 11 1HH2 ARG 11 1.742 -3.142 9.184 87 2HH2 ARG 11 2HH2 ARG 11 0.258 -4.024 9.319 88 H GLY 12 H GLY 12 6.934 -5.717 5.084 89 1HA GLY 12 1HA GLY 12 8.094 -5.404 2.409 90 2HA GLY 12 2HA GLY 12 8.327 -6.779 3.479 91 HA PRO 13 HA PRO 13 8.896 -7.931 1.827 92 1HB PRO 13 1HB PRO 13 8.927 -9.174 -0.552 93 2HB PRO 13 2HB PRO 13 8.336 -9.975 0.910 94 1HG PRO 13 1HG PRO 13 6.794 -8.734 -1.328 95 2HG PRO 13 2HG PRO 13 6.462 -10.226 -0.431 96 1HD PRO 13 1HD PRO 13 5.231 -7.795 0.040 97 2HD PRO 13 2HD PRO 13 5.350 -9.112 1.221 98 H GLY 14 H GLY 14 9.934 -6.016 1.521 99 1HA GLY 14 1HA GLY 14 11.122 -4.465 0.279 100 2HA GLY 14 2HA GLY 14 10.406 -5.131 -1.181 101 H ARG 15 H ARG 15 10.706 -2.466 -1.059 102 HA ARG 15 HA ARG 15 8.460 -1.100 0.032 103 1HB ARG 15 1HB ARG 15 10.490 -0.269 -2.049 104 2HB ARG 15 2HB ARG 15 9.248 0.801 -1.414 105 1HG ARG 15 1HG ARG 15 11.336 -0.555 0.278 106 2HG ARG 15 2HG ARG 15 11.467 1.091 -0.353 107 1HD ARG 15 1HD ARG 15 9.419 1.709 0.841 108 2HD ARG 15 2HD ARG 15 9.288 0.065 1.468 109 HE ARG 15 HE ARG 15 11.788 1.012 2.203 110 1HH1 ARG 15 1HH1 ARG 15 8.450 1.828 2.783 111 2HH1 ARG 15 2HH1 ARG 15 8.743 2.432 4.379 112 1HH2 ARG 15 1HH2 ARG 15 12.180 1.806 4.307 113 2HH2 ARG 15 2HH2 ARG 15 10.859 2.421 5.245 114 H ALA 16 H ALA 16 6.474 -0.971 -0.721 115 HA ALA 16 HA ALA 16 5.873 -0.848 -3.535 116 1HB ALA 16 1HB ALA 16 6.170 -3.313 -3.077 117 2HB ALA 16 2HB ALA 16 4.762 -3.203 -2.021 118 3HB ALA 16 3HB ALA 16 4.605 -2.849 -3.740 119 H PHE 17 H PHE 17 3.247 -1.389 -3.520 120 HA PHE 17 HA PHE 17 2.037 -0.037 -1.261 121 1HB PHE 17 1HB PHE 17 1.270 1.830 -2.334 122 2HB PHE 17 2HB PHE 17 2.750 1.589 -3.243 123 HD1 PHE 17 HD1 PHE 17 2.279 -0.258 -5.263 124 HD2 PHE 17 HD2 PHE 17 -0.482 2.512 -3.571 125 HE1 PHE 17 HE1 PHE 17 0.970 -0.300 -7.348 126 HE2 PHE 17 HE2 PHE 17 -1.793 2.472 -5.661 127 HZ PHE 17 HZ PHE 17 -1.071 1.065 -7.545 128 H VAL 18 H VAL 18 -0.049 -0.598 -0.904 129 HA VAL 18 HA VAL 18 -1.167 -2.671 -2.684 130 HB VAL 18 HB VAL 18 -1.806 -2.369 0.241 131 1HG1 VAL 18 1HG1 VAL 18 -2.261 -4.489 -1.813 132 2HG1 VAL 18 2HG1 VAL 18 -2.182 -4.909 -0.102 133 3HG1 VAL 18 3HG1 VAL 18 -3.396 -3.765 -0.671 134 1HG2 VAL 18 1HG2 VAL 18 0.406 -4.018 -0.970 135 2HG2 VAL 18 2HG2 VAL 18 0.586 -2.657 0.137 136 3HG2 VAL 18 3HG2 VAL 18 -0.159 -4.155 0.694 137 H THR 19 H THR 19 -3.565 -2.832 -2.596 138 HA THR 19 HA THR 19 -4.719 -0.145 -2.574 139 HB THR 19 HB THR 19 -5.682 -2.683 -3.898 140 HG1 THR 19 HG1 THR 19 -4.533 -0.276 -4.864 141 1HG2 THR 19 1HG2 THR 19 -6.878 0.075 -3.917 142 2HG2 THR 19 2HG2 THR 19 -7.268 -1.183 -5.090 143 3HG2 THR 19 3HG2 THR 19 -7.641 -1.426 -3.384 144 H ILE 20 H ILE 20 -6.875 0.128 -1.797 145 HA ILE 20 HA ILE 20 -7.780 -1.736 0.257 146 HB ILE 20 HB ILE 20 -7.897 1.144 0.944 147 1HG1 ILE 20 1HG1 ILE 20 -5.317 -0.408 1.241 148 2HG1 ILE 20 2HG1 ILE 20 -5.583 0.838 0.027 149 1HG2 ILE 20 1HG2 ILE 20 -7.369 -1.408 2.434 150 2HG2 ILE 20 2HG2 ILE 20 -7.283 0.185 3.184 151 3HG2 ILE 20 3HG2 ILE 20 -8.806 -0.387 2.503 152 1HD1 ILE 20 1HD1 ILE 20 -6.266 1.913 2.558 153 2HD1 ILE 20 2HD1 ILE 20 -4.693 1.130 2.687 154 3HD1 ILE 20 3HD1 ILE 20 -4.958 2.379 1.473 155 H GLY 21 H GLY 21 -10.006 -1.447 0.804 156 1HA GLY 21 1HA GLY 21 -12.163 -0.554 0.548 157 2HA GLY 21 2HA GLY 21 -11.556 0.478 -0.738 Start of MODEL 9 1 H ARG 4 H ARG 4 -13.250 2.251 -2.521 2 HA ARG 4 HA ARG 4 -11.391 1.197 -2.903 3 1HB ARG 4 1HB ARG 4 -11.170 2.817 -5.450 4 2HB ARG 4 2HB ARG 4 -10.084 1.513 -4.992 5 1HG ARG 4 1HG ARG 4 -12.036 -0.033 -4.995 6 2HG ARG 4 2HG ARG 4 -13.021 1.289 -5.625 7 1HD ARG 4 1HD ARG 4 -11.543 1.448 -7.578 8 2HD ARG 4 2HD ARG 4 -10.574 0.116 -6.947 9 HE ARG 4 HE ARG 4 -13.308 -0.619 -7.193 10 1HH1 ARG 4 1HH1 ARG 4 -10.395 -0.125 -9.046 11 2HH1 ARG 4 2HH1 ARG 4 -10.857 -1.223 -10.303 12 1HH2 ARG 4 1HH2 ARG 4 -13.921 -2.064 -8.840 13 2HH2 ARG 4 2HH2 ARG 4 -12.862 -2.326 -10.186 14 H LYS 5 H LYS 5 -9.378 1.519 -2.093 15 HA LYS 5 HA LYS 5 -8.288 4.241 -2.004 16 1HB LYS 5 1HB LYS 5 -9.454 2.811 0.222 17 2HB LYS 5 2HB LYS 5 -7.743 3.078 0.513 18 1HG LYS 5 1HG LYS 5 -9.742 5.227 -0.184 19 2HG LYS 5 2HG LYS 5 -9.158 4.863 1.440 20 1HD LYS 5 1HD LYS 5 -7.462 5.792 -0.884 21 2HD LYS 5 2HD LYS 5 -7.987 6.786 0.474 22 1HE LYS 5 1HE LYS 5 -6.752 5.310 2.008 23 2HE LYS 5 2HE LYS 5 -6.199 4.357 0.631 24 1HZ LYS 5 1HZ LYS 5 -5.680 7.220 0.521 25 2HZ LYS 5 2HZ LYS 5 -4.796 6.343 1.667 26 3HZ LYS 5 3HZ LYS 5 -4.711 5.923 0.031 27 H SER 6 H SER 6 -5.989 4.281 -1.811 28 HA SER 6 HA SER 6 -4.670 1.683 -1.662 29 1HB SER 6 1HB SER 6 -4.085 3.625 -3.897 30 2HB SER 6 2HB SER 6 -3.365 2.036 -3.658 31 HG SER 6 HG SER 6 -5.031 1.161 -4.580 32 H ILE 7 H ILE 7 -2.749 1.719 -0.623 33 HA ILE 7 HA ILE 7 -1.556 4.348 -0.067 34 HB ILE 7 HB ILE 7 -0.915 3.249 2.217 35 1HG1 ILE 7 1HG1 ILE 7 -3.517 1.833 1.611 36 2HG1 ILE 7 2HG1 ILE 7 -1.934 1.061 1.666 37 1HG2 ILE 7 1HG2 ILE 7 -2.803 5.104 1.428 38 2HG2 ILE 7 2HG2 ILE 7 -3.671 4.024 2.520 39 3HG2 ILE 7 3HG2 ILE 7 -2.191 4.821 3.059 40 1HD1 ILE 7 1HD1 ILE 7 -1.730 1.661 4.024 41 2HD1 ILE 7 2HD1 ILE 7 -3.323 2.417 3.964 42 3HD1 ILE 7 3HD1 ILE 7 -3.162 0.679 3.716 43 H ARG 8 H ARG 8 0.601 4.450 0.296 44 HA ARG 8 HA ARG 8 2.192 2.233 -0.727 45 1HB ARG 8 1HB ARG 8 3.037 4.999 0.188 46 2HB ARG 8 2HB ARG 8 4.065 3.826 -0.624 47 1HG ARG 8 1HG ARG 8 2.748 4.000 -2.639 48 2HG ARG 8 2HG ARG 8 1.607 5.079 -1.836 49 1HD ARG 8 1HD ARG 8 3.396 6.727 -1.525 50 2HD ARG 8 2HD ARG 8 4.527 5.647 -2.342 51 HE ARG 8 HE ARG 8 2.519 5.969 -4.144 52 1HH1 ARG 8 1HH1 ARG 8 4.539 8.174 -2.356 53 2HH1 ARG 8 2HH1 ARG 8 4.516 9.394 -3.585 54 1HH2 ARG 8 1HH2 ARG 8 2.485 7.570 -5.767 55 2HH2 ARG 8 2HH2 ARG 8 3.348 9.051 -5.524 56 H ILE 9 H ILE 9 2.389 0.685 0.844 57 HA ILE 9 HA ILE 9 2.466 1.434 3.600 58 HB ILE 9 HB ILE 9 2.617 -0.891 4.152 59 1HG1 ILE 9 1HG1 ILE 9 4.302 -1.375 2.229 60 2HG1 ILE 9 2HG1 ILE 9 3.198 -2.644 2.732 61 1HG2 ILE 9 1HG2 ILE 9 0.789 -0.397 1.813 62 2HG2 ILE 9 2HG2 ILE 9 0.677 -1.798 2.879 63 3HG2 ILE 9 3HG2 ILE 9 0.432 -0.176 3.526 64 1HD1 ILE 9 1HD1 ILE 9 1.906 -1.223 0.675 65 2HD1 ILE 9 2HD1 ILE 9 3.568 -1.502 0.161 66 3HD1 ILE 9 3HD1 ILE 9 2.556 -2.857 0.640 67 H GLN 10 H GLN 10 4.192 0.978 5.083 68 HA GLN 10 HA GLN 10 6.825 1.399 3.872 69 1HB GLN 10 1HB GLN 10 5.915 2.992 5.596 70 2HB GLN 10 2HB GLN 10 6.029 1.692 6.773 71 1HG GLN 10 1HG GLN 10 8.437 1.599 6.476 72 2HG GLN 10 2HG GLN 10 8.347 2.848 5.235 73 1HE2 GLN 10 2HE2 GLN 10 6.985 4.819 6.102 74 2HE2 GLN 10 1HE2 GLN 10 7.514 5.417 7.633 75 H ARG 11 H ARG 11 5.205 -1.236 4.518 76 HA ARG 11 HA ARG 11 7.281 -2.602 6.070 77 1HB ARG 11 1HB ARG 11 5.704 -4.483 6.187 78 2HB ARG 11 2HB ARG 11 4.985 -2.998 6.793 79 1HG ARG 11 1HG ARG 11 3.642 -2.743 4.881 80 2HG ARG 11 2HG ARG 11 4.565 -3.941 3.974 81 1HD ARG 11 1HD ARG 11 2.395 -4.816 4.721 82 2HD ARG 11 2HD ARG 11 3.747 -5.708 5.417 83 HE ARG 11 HE ARG 11 2.950 -3.660 7.182 84 1HH1 ARG 11 1HH1 ARG 11 1.882 -6.736 5.942 85 2HH1 ARG 11 2HH1 ARG 11 0.972 -7.138 7.360 86 1HH2 ARG 11 1HH2 ARG 11 1.754 -4.180 9.054 87 2HH2 ARG 11 2HH2 ARG 11 0.899 -5.684 9.128 88 H GLY 12 H GLY 12 7.352 -5.084 5.223 89 1HA GLY 12 1HA GLY 12 8.257 -4.867 2.422 90 2HA GLY 12 2HA GLY 12 8.927 -5.969 3.615 91 HA PRO 13 HA PRO 13 9.592 -7.250 2.041 92 1HB PRO 13 1HB PRO 13 9.629 -8.685 -0.236 93 2HB PRO 13 2HB PRO 13 9.433 -9.450 1.346 94 1HG PRO 13 1HG PRO 13 7.363 -8.791 -0.711 95 2HG PRO 13 2HG PRO 13 7.526 -10.247 0.288 96 1HD PRO 13 1HD PRO 13 5.796 -8.189 0.845 97 2HD PRO 13 2HD PRO 13 6.460 -9.284 2.073 98 H GLY 14 H GLY 14 10.269 -5.298 1.384 99 1HA GLY 14 1HA GLY 14 10.936 -3.721 -0.191 100 2HA GLY 14 2HA GLY 14 9.970 -4.558 -1.399 101 H ARG 15 H ARG 15 10.180 -1.673 -0.721 102 HA ARG 15 HA ARG 15 7.672 -0.966 0.486 103 1HB ARG 15 1HB ARG 15 9.895 0.578 -0.809 104 2HB ARG 15 2HB ARG 15 8.356 1.361 -0.478 105 1HG ARG 15 1HG ARG 15 10.029 1.729 1.291 106 2HG ARG 15 2HG ARG 15 8.575 0.923 1.878 107 1HD ARG 15 1HD ARG 15 9.741 -1.234 1.769 108 2HD ARG 15 2HD ARG 15 11.196 -0.414 1.200 109 HE ARG 15 HE ARG 15 10.397 0.756 3.615 110 1HH1 ARG 15 1HH1 ARG 15 11.676 -2.256 2.420 111 2HH1 ARG 15 2HH1 ARG 15 12.477 -2.653 3.903 112 1HH2 ARG 15 1HH2 ARG 15 11.445 0.241 5.572 113 2HH2 ARG 15 2HH2 ARG 15 12.344 -1.234 5.696 114 H ALA 16 H ALA 16 5.784 -0.747 -0.445 115 HA ALA 16 HA ALA 16 5.465 -0.031 -3.231 116 1HB ALA 16 1HB ALA 16 5.820 -2.598 -3.045 117 2HB ALA 16 2HB ALA 16 4.177 -2.602 -2.402 118 3HB ALA 16 3HB ALA 16 4.489 -1.981 -4.024 119 H PHE 17 H PHE 17 2.855 -0.634 -3.580 120 HA PHE 17 HA PHE 17 1.497 0.441 -1.222 121 1HB PHE 17 1HB PHE 17 0.650 2.285 -2.240 122 2HB PHE 17 2HB PHE 17 2.088 2.116 -3.229 123 HD1 PHE 17 HD1 PHE 17 1.583 0.260 -5.241 124 HD2 PHE 17 HD2 PHE 17 -1.194 2.915 -3.388 125 HE1 PHE 17 HE1 PHE 17 0.181 0.191 -7.261 126 HE2 PHE 17 HE2 PHE 17 -2.598 2.846 -5.418 127 HZ PHE 17 HZ PHE 17 -1.913 1.484 -7.349 128 H VAL 18 H VAL 18 -0.563 -0.223 -0.876 129 HA VAL 18 HA VAL 18 -1.518 -2.398 -2.622 130 HB VAL 18 HB VAL 18 -2.384 -1.988 0.229 131 1HG1 VAL 18 1HG1 VAL 18 -2.540 -4.215 -1.754 132 2HG1 VAL 18 2HG1 VAL 18 -2.566 -4.566 -0.027 133 3HG1 VAL 18 3HG1 VAL 18 -3.804 -3.528 -0.731 134 1HG2 VAL 18 1HG2 VAL 18 0.101 -3.348 -0.764 135 2HG2 VAL 18 2HG2 VAL 18 -0.070 -2.169 0.536 136 3HG2 VAL 18 3HG2 VAL 18 -0.667 -3.814 0.753 137 H THR 19 H THR 19 -3.903 -2.646 -2.697 138 HA THR 19 HA THR 19 -5.277 -0.045 -2.506 139 HB THR 19 HB THR 19 -5.597 -2.129 -4.675 140 HG1 THR 19 HG1 THR 19 -3.736 -1.008 -5.045 141 1HG2 THR 19 1HG2 THR 19 -7.077 0.384 -4.085 142 2HG2 THR 19 2HG2 THR 19 -6.778 -0.070 -5.764 143 3HG2 THR 19 3HG2 THR 19 -7.667 -1.160 -4.699 144 H ILE 20 H ILE 20 -6.810 -0.173 -1.009 145 HA ILE 20 HA ILE 20 -8.188 -2.671 -0.476 146 HB ILE 20 HB ILE 20 -9.065 -1.245 1.494 147 1HG1 ILE 20 1HG1 ILE 20 -7.982 0.828 0.414 148 2HG1 ILE 20 2HG1 ILE 20 -7.860 0.627 2.156 149 1HG2 ILE 20 1HG2 ILE 20 -6.279 -2.336 1.277 150 2HG2 ILE 20 2HG2 ILE 20 -6.969 -1.781 2.802 151 3HG2 ILE 20 3HG2 ILE 20 -7.714 -3.125 1.935 152 1HD1 ILE 20 1HD1 ILE 20 -5.631 -0.575 0.726 153 2HD1 ILE 20 2HD1 ILE 20 -5.789 1.158 0.440 154 3HD1 ILE 20 3HD1 ILE 20 -5.639 0.545 2.085 155 H GLY 21 H GLY 21 -10.527 -2.114 0.418 156 1HA GLY 21 1HA GLY 21 -12.114 -1.476 -1.786 157 2HA GLY 21 2HA GLY 21 -12.680 -1.537 -0.125 Start of MODEL 10 1 H ARG 4 H ARG 4 -13.369 2.814 -3.931 2 HA ARG 4 HA ARG 4 -11.765 1.425 -3.434 3 1HB ARG 4 1HB ARG 4 -10.066 0.699 -5.043 4 2HB ARG 4 2HB ARG 4 -11.669 0.616 -5.761 5 1HG ARG 4 1HG ARG 4 -11.277 2.587 -7.051 6 2HG ARG 4 2HG ARG 4 -9.773 2.919 -6.191 7 1HD ARG 4 1HD ARG 4 -8.779 0.894 -7.119 8 2HD ARG 4 2HD ARG 4 -10.288 0.521 -7.955 9 HE ARG 4 HE ARG 4 -9.733 2.952 -8.910 10 1HH1 ARG 4 1HH1 ARG 4 -7.730 0.127 -8.539 11 2HH1 ARG 4 2HH1 ARG 4 -6.714 0.513 -9.887 12 1HH2 ARG 4 1HH2 ARG 4 -8.409 3.472 -10.680 13 2HH2 ARG 4 2HH2 ARG 4 -7.100 2.421 -11.108 14 H LYS 5 H LYS 5 -9.459 1.553 -2.776 15 HA LYS 5 HA LYS 5 -8.091 4.077 -3.103 16 1HB LYS 5 1HB LYS 5 -9.863 4.219 -1.150 17 2HB LYS 5 2HB LYS 5 -8.668 3.269 -0.269 18 1HG LYS 5 1HG LYS 5 -7.446 5.542 -1.589 19 2HG LYS 5 2HG LYS 5 -8.760 6.044 -0.525 20 1HD LYS 5 1HD LYS 5 -6.508 4.215 0.308 21 2HD LYS 5 2HD LYS 5 -6.512 5.960 0.564 22 1HE LYS 5 1HE LYS 5 -8.605 4.065 1.623 23 2HE LYS 5 2HE LYS 5 -7.239 4.677 2.553 24 1HZ LYS 5 1HZ LYS 5 -8.339 6.934 1.581 25 2HZ LYS 5 2HZ LYS 5 -9.710 5.977 1.851 26 3HZ LYS 5 3HZ LYS 5 -8.640 6.299 3.119 27 H SER 6 H SER 6 -5.884 3.934 -2.294 28 HA SER 6 HA SER 6 -5.073 1.312 -1.309 29 1HB SER 6 1HB SER 6 -3.866 2.565 -3.779 30 2HB SER 6 2HB SER 6 -3.356 1.048 -3.037 31 HG SER 6 HG SER 6 -4.971 0.061 -3.997 32 H ILE 7 H ILE 7 -2.888 1.273 -0.420 33 HA ILE 7 HA ILE 7 -1.845 3.943 0.215 34 HB ILE 7 HB ILE 7 -1.174 2.828 2.470 35 1HG1 ILE 7 1HG1 ILE 7 -3.641 1.229 1.756 36 2HG1 ILE 7 2HG1 ILE 7 -2.003 0.588 1.835 37 1HG2 ILE 7 1HG2 ILE 7 -3.463 4.346 1.626 38 2HG2 ILE 7 2HG2 ILE 7 -3.832 3.363 3.045 39 3HG2 ILE 7 3HG2 ILE 7 -2.474 4.488 3.080 40 1HD1 ILE 7 1HD1 ILE 7 -3.384 1.858 4.181 41 2HD1 ILE 7 2HD1 ILE 7 -3.447 0.131 3.827 42 3HD1 ILE 7 3HD1 ILE 7 -1.901 0.903 4.178 43 H ARG 8 H ARG 8 0.288 4.184 0.559 44 HA ARG 8 HA ARG 8 2.063 2.149 -0.524 45 1HB ARG 8 1HB ARG 8 2.732 4.874 0.627 46 2HB ARG 8 2HB ARG 8 3.768 3.876 -0.388 47 1HG ARG 8 1HG ARG 8 2.486 4.293 -2.306 48 2HG ARG 8 2HG ARG 8 1.121 4.899 -1.368 49 1HD ARG 8 1HD ARG 8 2.565 6.810 -0.648 50 2HD ARG 8 2HD ARG 8 3.793 6.240 -1.776 51 HE ARG 8 HE ARG 8 1.286 7.549 -2.428 52 1HH1 ARG 8 1HH1 ARG 8 4.059 5.783 -3.586 53 2HH1 ARG 8 2HH1 ARG 8 3.819 6.241 -5.239 54 1HH2 ARG 8 1HH2 ARG 8 0.957 8.146 -4.598 55 2HH2 ARG 8 2HH2 ARG 8 2.055 7.585 -5.814 56 H ILE 9 H ILE 9 2.106 0.524 1.023 57 HA ILE 9 HA ILE 9 2.250 1.140 3.802 58 HB ILE 9 HB ILE 9 2.146 -1.148 4.235 59 1HG1 ILE 9 1HG1 ILE 9 4.138 -1.860 2.972 60 2HG1 ILE 9 2HG1 ILE 9 2.776 -2.926 2.668 61 1HG2 ILE 9 1HG2 ILE 9 0.231 -0.181 2.869 62 2HG2 ILE 9 2HG2 ILE 9 0.891 -1.088 1.507 63 3HG2 ILE 9 3HG2 ILE 9 0.347 -1.939 2.953 64 1HD1 ILE 9 1HD1 ILE 9 2.377 -1.563 0.568 65 2HD1 ILE 9 2HD1 ILE 9 3.972 -0.871 0.859 66 3HD1 ILE 9 3HD1 ILE 9 3.799 -2.604 0.597 67 H GLN 10 H GLN 10 3.972 0.966 5.207 68 HA GLN 10 HA GLN 10 6.607 1.187 3.987 69 1HB GLN 10 1HB GLN 10 5.763 1.650 6.853 70 2HB GLN 10 2HB GLN 10 7.329 2.044 6.155 71 1HG GLN 10 1HG GLN 10 4.687 3.267 5.384 72 2HG GLN 10 2HG GLN 10 5.942 4.024 6.362 73 1HE2 GLN 10 2HE2 GLN 10 4.804 3.396 3.217 74 2HE2 GLN 10 1HE2 GLN 10 6.109 4.120 2.346 75 H ARG 11 H ARG 11 4.940 -1.372 4.706 76 HA ARG 11 HA ARG 11 6.974 -2.751 6.299 77 1HB ARG 11 1HB ARG 11 5.295 -4.656 6.240 78 2HB ARG 11 2HB ARG 11 4.802 -3.217 7.122 79 1HG ARG 11 1HG ARG 11 3.340 -2.545 5.391 80 2HG ARG 11 2HG ARG 11 4.013 -3.728 4.268 81 1HD ARG 11 1HD ARG 11 2.560 -4.447 6.811 82 2HD ARG 11 2HD ARG 11 1.789 -4.349 5.227 83 HE ARG 11 HE ARG 11 3.995 -6.043 5.004 84 1HH1 ARG 11 1HH1 ARG 11 0.910 -5.968 6.628 85 2HH1 ARG 11 2HH1 ARG 11 0.716 -7.690 6.605 86 1HH2 ARG 11 1HH2 ARG 11 3.745 -8.300 4.972 87 2HH2 ARG 11 2HH2 ARG 11 2.328 -9.014 5.664 88 H GLY 12 H GLY 12 7.312 -5.129 5.533 89 1HA GLY 12 1HA GLY 12 8.129 -4.947 2.718 90 2HA GLY 12 2HA GLY 12 8.787 -6.055 3.913 91 HA PRO 13 HA PRO 13 9.498 -7.272 2.367 92 1HB PRO 13 1HB PRO 13 9.227 -8.801 -0.042 93 2HB PRO 13 2HB PRO 13 9.846 -9.337 1.520 94 1HG PRO 13 1HG PRO 13 7.493 -10.219 0.365 95 2HG PRO 13 2HG PRO 13 7.875 -10.317 2.091 96 1HD PRO 13 1HD PRO 13 6.170 -8.340 0.634 97 2HD PRO 13 2HD PRO 13 5.951 -9.050 2.250 98 H GLY 14 H GLY 14 10.285 -5.428 1.553 99 1HA GLY 14 1HA GLY 14 10.979 -3.978 -0.136 100 2HA GLY 14 2HA GLY 14 9.909 -4.808 -1.256 101 H ARG 15 H ARG 15 10.067 -2.082 -1.331 102 HA ARG 15 HA ARG 15 7.832 -1.009 0.195 103 1HB ARG 15 1HB ARG 15 9.800 0.251 -1.715 104 2HB ARG 15 2HB ARG 15 8.418 1.123 -1.072 105 1HG ARG 15 1HG ARG 15 10.357 1.669 0.222 106 2HG ARG 15 2HG ARG 15 9.258 0.711 1.212 107 1HD ARG 15 1HD ARG 15 10.606 -1.276 0.830 108 2HD ARG 15 2HD ARG 15 11.685 -0.365 -0.226 109 HE ARG 15 HE ARG 15 11.739 -0.446 2.619 110 1HH1 ARG 15 1HH1 ARG 15 12.356 1.625 -0.116 111 2HH1 ARG 15 2HH1 ARG 15 13.495 2.618 0.731 112 1HH2 ARG 15 1HH2 ARG 15 13.236 0.852 3.739 113 2HH2 ARG 15 2HH2 ARG 15 13.995 2.179 2.924 114 H ALA 16 H ALA 16 5.860 -0.581 -0.593 115 HA ALA 16 HA ALA 16 5.223 -0.313 -3.360 116 1HB ALA 16 1HB ALA 16 5.621 -2.855 -2.961 117 2HB ALA 16 2HB ALA 16 4.050 -2.792 -2.163 118 3HB ALA 16 3HB ALA 16 4.196 -2.331 -3.858 119 H PHE 17 H PHE 17 2.614 -1.034 -3.343 120 HA PHE 17 HA PHE 17 1.423 0.143 -0.967 121 1HB PHE 17 1HB PHE 17 0.404 1.945 -1.959 122 2HB PHE 17 2HB PHE 17 1.888 1.889 -2.888 123 HD1 PHE 17 HD1 PHE 17 1.557 0.070 -4.981 124 HD2 PHE 17 HD2 PHE 17 -1.412 2.527 -3.153 125 HE1 PHE 17 HE1 PHE 17 0.238 0.005 -7.057 126 HE2 PHE 17 HE2 PHE 17 -2.731 2.461 -5.243 127 HZ PHE 17 HZ PHE 17 -1.911 1.200 -7.186 128 H VAL 18 H VAL 18 -0.568 -0.602 -0.487 129 HA VAL 18 HA VAL 18 -1.617 -2.719 -2.245 130 HB VAL 18 HB VAL 18 -2.614 -3.729 -0.231 131 1HG1 VAL 18 1HG1 VAL 18 -0.450 -4.503 -1.005 132 2HG1 VAL 18 2HG1 VAL 18 0.356 -3.273 -0.031 133 3HG1 VAL 18 3HG1 VAL 18 -0.541 -4.571 0.754 134 1HG2 VAL 18 1HG2 VAL 18 -1.311 -1.400 1.130 135 2HG2 VAL 18 2HG2 VAL 18 -2.960 -1.992 1.282 136 3HG2 VAL 18 3HG2 VAL 18 -1.630 -2.900 1.995 137 H THR 19 H THR 19 -3.996 -3.112 -1.956 138 HA THR 19 HA THR 19 -5.339 -0.517 -2.048 139 HB THR 19 HB THR 19 -6.241 -3.212 -3.068 140 HG1 THR 19 HG1 THR 19 -4.987 -2.698 -4.661 141 1HG2 THR 19 1HG2 THR 19 -7.464 -0.483 -3.389 142 2HG2 THR 19 2HG2 THR 19 -7.847 -1.859 -4.419 143 3HG2 THR 19 3HG2 THR 19 -8.209 -1.921 -2.693 144 H ILE 20 H ILE 20 -7.427 -0.254 -1.147 145 HA ILE 20 HA ILE 20 -7.917 -1.843 1.270 146 HB ILE 20 HB ILE 20 -8.641 1.062 0.967 147 1HG1 ILE 20 1HG1 ILE 20 -6.076 -0.075 2.106 148 2HG1 ILE 20 2HG1 ILE 20 -6.218 0.862 0.625 149 1HG2 ILE 20 1HG2 ILE 20 -8.523 -0.890 3.220 150 2HG2 ILE 20 2HG2 ILE 20 -8.272 0.823 3.545 151 3HG2 ILE 20 3HG2 ILE 20 -9.777 0.281 2.807 152 1HD1 ILE 20 1HD1 ILE 20 -7.372 2.351 2.758 153 2HD1 ILE 20 2HD1 ILE 20 -5.775 1.789 3.243 154 3HD1 ILE 20 3HD1 ILE 20 -5.966 2.732 1.766 155 H GLY 21 H GLY 21 -10.257 -1.641 2.020 156 1HA GLY 21 1HA GLY 21 -11.977 -2.269 -0.205 157 2HA GLY 21 2HA GLY 21 -12.413 -2.312 1.498 Start of MODEL 11 1 H ARG 4 H ARG 4 -13.416 1.012 -4.858 2 HA ARG 4 HA ARG 4 -11.844 0.410 -2.838 3 1HB ARG 4 1HB ARG 4 -10.234 -0.289 -4.582 4 2HB ARG 4 2HB ARG 4 -11.890 -0.707 -4.988 5 1HG ARG 4 1HG ARG 4 -11.996 1.197 -6.527 6 2HG ARG 4 2HG ARG 4 -10.333 1.626 -6.110 7 1HD ARG 4 1HD ARG 4 -9.577 -0.562 -6.935 8 2HD ARG 4 2HD ARG 4 -11.236 -0.967 -7.370 9 HE ARG 4 HE ARG 4 -10.456 1.445 -8.623 10 1HH1 ARG 4 1HH1 ARG 4 -9.971 -2.005 -8.780 11 2HH1 ARG 4 2HH1 ARG 4 -9.592 -2.005 -10.470 12 1HH2 ARG 4 1HH2 ARG 4 -9.957 1.452 -10.852 13 2HH2 ARG 4 2HH2 ARG 4 -9.583 -0.041 -11.649 14 H LYS 5 H LYS 5 -9.609 0.812 -2.336 15 HA LYS 5 HA LYS 5 -8.590 3.494 -2.967 16 1HB LYS 5 1HB LYS 5 -9.843 3.632 -0.826 17 2HB LYS 5 2HB LYS 5 -8.832 2.348 -0.173 18 1HG LYS 5 1HG LYS 5 -6.876 3.765 -0.323 19 2HG LYS 5 2HG LYS 5 -7.831 5.044 -1.081 20 1HD LYS 5 1HD LYS 5 -9.190 5.219 0.952 21 2HD LYS 5 2HD LYS 5 -8.230 3.943 1.702 22 1HE LYS 5 1HE LYS 5 -7.484 6.122 2.469 23 2HE LYS 5 2HE LYS 5 -6.229 5.344 1.507 24 1HZ LYS 5 1HZ LYS 5 -8.032 7.058 0.023 25 2HZ LYS 5 2HZ LYS 5 -7.051 7.858 1.145 26 3HZ LYS 5 3HZ LYS 5 -6.350 6.916 -0.072 27 H SER 6 H SER 6 -6.232 3.666 -2.280 28 HA SER 6 HA SER 6 -4.942 1.068 -1.945 29 1HB SER 6 1HB SER 6 -4.266 2.974 -4.200 30 2HB SER 6 2HB SER 6 -3.281 1.589 -3.740 31 HG SER 6 HG SER 6 -5.242 1.570 -5.428 32 H ILE 7 H ILE 7 -2.851 1.164 -1.044 33 HA ILE 7 HA ILE 7 -2.013 3.806 -0.040 34 HB ILE 7 HB ILE 7 -1.156 2.435 1.998 35 1HG1 ILE 7 1HG1 ILE 7 -3.478 0.711 1.124 36 2HG1 ILE 7 2HG1 ILE 7 -1.783 0.241 1.053 37 1HG2 ILE 7 1HG2 ILE 7 -3.763 3.658 1.473 38 2HG2 ILE 7 2HG2 ILE 7 -3.685 2.611 2.892 39 3HG2 ILE 7 3HG2 ILE 7 -2.575 3.971 2.741 40 1HD1 ILE 7 1HD1 ILE 7 -3.258 0.952 3.576 41 2HD1 ILE 7 2HD1 ILE 7 -2.980 -0.689 2.992 42 3HD1 ILE 7 3HD1 ILE 7 -1.613 0.329 3.450 43 H ARG 8 H ARG 8 0.172 4.080 0.355 44 HA ARG 8 HA ARG 8 1.920 2.199 -1.051 45 1HB ARG 8 1HB ARG 8 3.624 4.037 -0.847 46 2HB ARG 8 2HB ARG 8 2.215 4.467 -1.803 47 1HG ARG 8 1HG ARG 8 1.300 5.718 0.078 48 2HG ARG 8 2HG ARG 8 2.681 5.256 1.070 49 1HD ARG 8 1HD ARG 8 2.764 6.916 -1.447 50 2HD ARG 8 2HD ARG 8 2.953 7.509 0.204 51 HE ARG 8 HE ARG 8 4.851 5.475 -0.469 52 1HH1 ARG 8 1HH1 ARG 8 4.151 8.882 -0.712 53 2HH1 ARG 8 2HH1 ARG 8 5.814 9.343 -0.850 54 1HH2 ARG 8 1HH2 ARG 8 7.035 6.071 -0.647 55 2HH2 ARG 8 2HH2 ARG 8 7.458 7.742 -0.815 56 H ILE 9 H ILE 9 2.039 0.592 0.494 57 HA ILE 9 HA ILE 9 2.513 1.203 3.238 58 HB ILE 9 HB ILE 9 2.456 -1.098 3.686 59 1HG1 ILE 9 1HG1 ILE 9 4.180 -1.845 2.097 60 2HG1 ILE 9 2HG1 ILE 9 2.751 -2.866 2.014 61 1HG2 ILE 9 1HG2 ILE 9 0.366 -0.066 2.719 62 2HG2 ILE 9 2HG2 ILE 9 0.760 -0.891 1.213 63 3HG2 ILE 9 3HG2 ILE 9 0.450 -1.827 2.674 64 1HD1 ILE 9 1HD1 ILE 9 2.066 -1.392 0.031 65 2HD1 ILE 9 2HD1 ILE 9 3.746 -0.861 0.038 66 3HD1 ILE 9 3HD1 ILE 9 3.361 -2.564 -0.196 67 H GLN 10 H GLN 10 4.395 0.930 4.444 68 HA GLN 10 HA GLN 10 6.866 0.982 2.877 69 1HB GLN 10 1HB GLN 10 7.914 1.936 4.861 70 2HB GLN 10 2HB GLN 10 6.473 2.848 4.434 71 1HG GLN 10 1HG GLN 10 5.225 1.768 6.207 72 2HG GLN 10 2HG GLN 10 6.616 0.754 6.596 73 1HE2 GLN 10 2HE2 GLN 10 5.992 4.211 6.065 74 2HE2 GLN 10 1HE2 GLN 10 6.833 4.751 7.473 75 H ARG 11 H ARG 11 5.120 -1.374 4.031 76 HA ARG 11 HA ARG 11 7.287 -2.822 5.382 77 1HB ARG 11 1HB ARG 11 4.324 -3.399 5.181 78 2HB ARG 11 2HB ARG 11 5.481 -4.497 5.917 79 1HG ARG 11 1HG ARG 11 4.411 -3.281 7.661 80 2HG ARG 11 2HG ARG 11 6.067 -2.686 7.533 81 1HD ARG 11 1HD ARG 11 5.252 -0.776 6.210 82 2HD ARG 11 2HD ARG 11 3.602 -1.359 6.402 83 HE ARG 11 HE ARG 11 5.177 0.063 8.329 84 1HH1 ARG 11 1HH1 ARG 11 2.541 -2.182 7.915 85 2HH1 ARG 11 2HH1 ARG 11 1.803 -1.790 9.432 86 1HH2 ARG 11 1HH2 ARG 11 4.210 0.585 10.319 87 2HH2 ARG 11 2HH2 ARG 11 2.751 -0.217 10.799 88 H GLY 12 H GLY 12 6.985 -5.355 4.835 89 1HA GLY 12 1HA GLY 12 7.365 -5.506 1.919 90 2HA GLY 12 2HA GLY 12 8.030 -6.630 3.096 91 HA PRO 13 HA PRO 13 8.188 -8.059 1.450 92 1HB PRO 13 1HB PRO 13 7.043 -9.498 -0.780 93 2HB PRO 13 2HB PRO 13 7.977 -10.137 0.574 94 1HG PRO 13 1HG PRO 13 5.316 -10.655 0.172 95 2HG PRO 13 2HG PRO 13 6.106 -10.702 1.759 96 1HD PRO 13 1HD PRO 13 4.434 -8.537 0.532 97 2HD PRO 13 2HD PRO 13 4.454 -9.135 2.207 98 H GLY 14 H GLY 14 9.011 -6.278 0.524 99 1HA GLY 14 1HA GLY 14 9.604 -4.977 -1.328 100 2HA GLY 14 2HA GLY 14 8.217 -5.619 -2.197 101 H ARG 15 H ARG 15 9.175 -2.832 -1.840 102 HA ARG 15 HA ARG 15 6.932 -1.648 -0.362 103 1HB ARG 15 1HB ARG 15 9.296 -0.213 -1.585 104 2HB ARG 15 2HB ARG 15 8.157 0.420 -0.405 105 1HG ARG 15 1HG ARG 15 10.203 -1.745 0.055 106 2HG ARG 15 2HG ARG 15 10.257 -0.091 0.663 107 1HD ARG 15 1HD ARG 15 8.234 -0.509 1.978 108 2HD ARG 15 2HD ARG 15 8.177 -2.163 1.370 109 HE ARG 15 HE ARG 15 9.733 -2.724 2.937 110 1HH1 ARG 15 1HH1 ARG 15 9.891 0.719 2.419 111 2HH1 ARG 15 2HH1 ARG 15 11.078 0.980 3.653 112 1HH2 ARG 15 1HH2 ARG 15 11.294 -2.384 4.568 113 2HH2 ARG 15 2HH2 ARG 15 11.872 -0.782 4.875 114 H ALA 16 H ALA 16 5.197 -0.983 -1.452 115 HA ALA 16 HA ALA 16 5.327 0.384 -3.948 116 1HB ALA 16 1HB ALA 16 5.726 -2.041 -4.604 117 2HB ALA 16 2HB ALA 16 4.051 -2.330 -4.138 118 3HB ALA 16 3HB ALA 16 4.422 -1.199 -5.438 119 H PHE 17 H PHE 17 2.911 0.158 -4.947 120 HA PHE 17 HA PHE 17 1.204 1.099 -2.772 121 1HB PHE 17 1HB PHE 17 1.549 1.825 -5.523 122 2HB PHE 17 2HB PHE 17 -0.123 1.336 -5.273 123 HD1 PHE 17 HD1 PHE 17 -1.204 2.351 -3.053 124 HD2 PHE 17 HD2 PHE 17 2.076 4.028 -5.186 125 HE1 PHE 17 HE1 PHE 17 -1.706 4.562 -2.086 126 HE2 PHE 17 HE2 PHE 17 1.583 6.235 -4.219 127 HZ PHE 17 HZ PHE 17 -0.309 6.505 -2.667 128 H VAL 18 H VAL 18 -0.258 -0.190 -1.895 129 HA VAL 18 HA VAL 18 -1.201 -2.530 -3.423 130 HB VAL 18 HB VAL 18 -1.456 -2.207 -0.442 131 1HG1 VAL 18 1HG1 VAL 18 -1.749 -4.453 -2.383 132 2HG1 VAL 18 2HG1 VAL 18 -1.310 -4.792 -0.710 133 3HG1 VAL 18 3HG1 VAL 18 -2.817 -3.952 -1.069 134 1HG2 VAL 18 1HG2 VAL 18 0.989 -2.171 -1.548 135 2HG2 VAL 18 2HG2 VAL 18 0.640 -2.937 0.001 136 3HG2 VAL 18 3HG2 VAL 18 0.729 -3.912 -1.465 137 H THR 19 H THR 19 -3.491 -3.141 -2.981 138 HA THR 19 HA THR 19 -5.118 -0.717 -2.807 139 HB THR 19 HB THR 19 -5.746 -3.430 -3.981 140 HG1 THR 19 HG1 THR 19 -5.115 -0.887 -5.050 141 1HG2 THR 19 1HG2 THR 19 -7.437 -0.937 -3.911 142 2HG2 THR 19 2HG2 THR 19 -7.739 -2.334 -4.946 143 3HG2 THR 19 3HG2 THR 19 -7.825 -2.502 -3.193 144 H ILE 20 H ILE 20 -7.169 -0.812 -1.776 145 HA ILE 20 HA ILE 20 -7.361 -2.617 0.531 146 HB ILE 20 HB ILE 20 -8.240 0.261 0.640 147 1HG1 ILE 20 1HG1 ILE 20 -5.500 -0.770 1.406 148 2HG1 ILE 20 2HG1 ILE 20 -5.846 0.266 0.026 149 1HG2 ILE 20 1HG2 ILE 20 -7.710 -1.910 2.621 150 2HG2 ILE 20 2HG2 ILE 20 -7.591 -0.222 3.116 151 3HG2 ILE 20 3HG2 ILE 20 -9.108 -0.844 2.469 152 1HD1 ILE 20 1HD1 ILE 20 -6.935 1.580 2.233 153 2HD1 ILE 20 2HD1 ILE 20 -5.370 0.968 2.762 154 3HD1 ILE 20 3HD1 ILE 20 -5.476 2.004 1.339 155 H GLY 21 H GLY 21 -9.639 -2.608 1.423 156 1HA GLY 21 1HA GLY 21 -11.515 -3.266 -0.539 157 2HA GLY 21 2HA GLY 21 -11.896 -2.905 1.140 Start of MODEL 12 1 H ARG 4 H ARG 4 -12.589 1.326 -3.149 2 HA ARG 4 HA ARG 4 -10.687 0.566 -3.808 3 1HB ARG 4 1HB ARG 4 -11.139 2.220 -6.302 4 2HB ARG 4 2HB ARG 4 -9.767 1.144 -6.080 5 1HG ARG 4 1HG ARG 4 -12.674 0.340 -6.167 6 2HG ARG 4 2HG ARG 4 -11.467 0.073 -7.424 7 1HD ARG 4 1HD ARG 4 -10.168 -1.287 -5.758 8 2HD ARG 4 2HD ARG 4 -11.543 -1.139 -4.669 9 HE ARG 4 HE ARG 4 -12.599 -2.767 -5.858 10 1HH1 ARG 4 1HH1 ARG 4 -10.085 -1.408 -7.857 11 2HH1 ARG 4 2HH1 ARG 4 -10.285 -2.574 -9.122 12 1HH2 ARG 4 1HH2 ARG 4 -12.859 -4.309 -7.515 13 2HH2 ARG 4 2HH2 ARG 4 -11.861 -4.222 -8.927 14 H LYS 5 H LYS 5 -9.311 1.342 -2.337 15 HA LYS 5 HA LYS 5 -8.048 3.966 -2.839 16 1HB LYS 5 1HB LYS 5 -9.542 3.608 -0.712 17 2HB LYS 5 2HB LYS 5 -8.176 2.678 -0.128 18 1HG LYS 5 1HG LYS 5 -7.844 5.505 -1.071 19 2HG LYS 5 2HG LYS 5 -8.370 5.134 0.569 20 1HD LYS 5 1HD LYS 5 -6.310 3.738 0.832 21 2HD LYS 5 2HD LYS 5 -5.776 4.325 -0.737 22 1HE LYS 5 1HE LYS 5 -6.373 6.050 1.658 23 2HE LYS 5 2HE LYS 5 -4.767 5.591 1.101 24 1HZ LYS 5 1HZ LYS 5 -5.230 6.745 -0.993 25 2HZ LYS 5 2HZ LYS 5 -6.737 7.231 -0.401 26 3HZ LYS 5 3HZ LYS 5 -5.318 7.792 0.331 27 H SER 6 H SER 6 -5.741 4.004 -2.441 28 HA SER 6 HA SER 6 -4.528 1.373 -2.011 29 1HB SER 6 1HB SER 6 -3.744 3.219 -4.272 30 2HB SER 6 2HB SER 6 -2.961 1.693 -3.867 31 HG SER 6 HG SER 6 -5.711 1.908 -4.520 32 H ILE 7 H ILE 7 -2.606 1.366 -0.949 33 HA ILE 7 HA ILE 7 -1.468 3.973 -0.177 34 HB ILE 7 HB ILE 7 -0.887 2.711 2.031 35 1HG1 ILE 7 1HG1 ILE 7 -3.380 1.231 1.178 36 2HG1 ILE 7 2HG1 ILE 7 -1.767 0.534 1.291 37 1HG2 ILE 7 1HG2 ILE 7 -2.613 4.651 1.472 38 2HG2 ILE 7 2HG2 ILE 7 -3.749 3.417 2.020 39 3HG2 ILE 7 3HG2 ILE 7 -2.437 3.943 3.078 40 1HD1 ILE 7 1HD1 ILE 7 -1.755 1.015 3.698 41 2HD1 ILE 7 2HD1 ILE 7 -3.399 1.641 3.561 42 3HD1 ILE 7 3HD1 ILE 7 -3.073 -0.058 3.225 43 H ARG 8 H ARG 8 0.712 3.986 0.384 44 HA ARG 8 HA ARG 8 2.280 1.805 -0.782 45 1HB ARG 8 1HB ARG 8 4.200 3.426 -0.540 46 2HB ARG 8 2HB ARG 8 2.944 3.937 -1.656 47 1HG ARG 8 1HG ARG 8 2.038 5.451 0.019 48 2HG ARG 8 2HG ARG 8 3.249 4.909 1.183 49 1HD ARG 8 1HD ARG 8 5.022 5.746 -0.286 50 2HD ARG 8 2HD ARG 8 3.805 6.295 -1.438 51 HE ARG 8 HE ARG 8 3.198 7.460 1.007 52 1HH1 ARG 8 1HH1 ARG 8 5.787 7.532 -1.325 53 2HH1 ARG 8 2HH1 ARG 8 6.254 9.156 -0.948 54 1HH2 ARG 8 1HH2 ARG 8 3.806 9.599 1.508 55 2HH2 ARG 8 2HH2 ARG 8 5.129 10.331 0.662 56 H ILE 9 H ILE 9 2.168 0.293 0.841 57 HA ILE 9 HA ILE 9 2.472 1.015 3.577 58 HB ILE 9 HB ILE 9 2.231 -1.267 4.126 59 1HG1 ILE 9 1HG1 ILE 9 3.969 -2.186 2.609 60 2HG1 ILE 9 2HG1 ILE 9 2.484 -3.124 2.569 61 1HG2 ILE 9 1HG2 ILE 9 0.309 -0.057 2.930 62 2HG2 ILE 9 2HG2 ILE 9 0.667 -1.130 1.577 63 3HG2 ILE 9 3HG2 ILE 9 0.196 -1.804 3.136 64 1HD1 ILE 9 1HD1 ILE 9 1.901 -1.768 0.487 65 2HD1 ILE 9 2HD1 ILE 9 3.601 -1.292 0.489 66 3HD1 ILE 9 3HD1 ILE 9 3.161 -2.993 0.355 67 H GLN 10 H GLN 10 4.169 0.538 4.981 68 HA GLN 10 HA GLN 10 6.803 0.541 3.742 69 1HB GLN 10 1HB GLN 10 5.888 2.033 5.738 70 2HB GLN 10 2HB GLN 10 6.389 0.654 6.705 71 1HG GLN 10 1HG GLN 10 8.209 2.115 4.809 72 2HG GLN 10 2HG GLN 10 8.059 2.499 6.520 73 1HE2 GLN 10 2HE2 GLN 10 9.523 0.501 4.199 74 2HE2 GLN 10 1HE2 GLN 10 10.376 -0.536 5.283 75 H ARG 11 H ARG 11 4.803 -1.805 4.266 76 HA ARG 11 HA ARG 11 6.593 -3.614 5.715 77 1HB ARG 11 1HB ARG 11 3.790 -4.117 4.691 78 2HB ARG 11 2HB ARG 11 4.708 -5.149 5.781 79 1HG ARG 11 1HG ARG 11 4.651 -3.427 7.494 80 2HG ARG 11 2HG ARG 11 3.780 -2.350 6.402 81 1HD ARG 11 1HD ARG 11 1.943 -4.002 6.298 82 2HD ARG 11 2HD ARG 11 2.808 -5.003 7.464 83 HE ARG 11 HE ARG 11 2.031 -3.644 9.119 84 1HH1 ARG 11 1HH1 ARG 11 1.840 -1.909 6.100 85 2HH1 ARG 11 2HH1 ARG 11 1.030 -0.542 6.790 86 1HH2 ARG 11 1HH2 ARG 11 0.965 -1.849 10.032 87 2HH2 ARG 11 2HH2 ARG 11 0.533 -0.509 9.024 88 H GLY 12 H GLY 12 6.126 -6.022 4.636 89 1HA GLY 12 1HA GLY 12 7.314 -5.738 1.969 90 2HA GLY 12 2HA GLY 12 7.427 -7.160 2.995 91 HA PRO 13 HA PRO 13 7.905 -8.235 1.085 92 1HB PRO 13 1HB PRO 13 7.267 -8.752 -1.701 93 2HB PRO 13 2HB PRO 13 7.751 -9.894 -0.446 94 1HG PRO 13 1HG PRO 13 5.254 -9.838 -1.538 95 2HG PRO 13 2HG PRO 13 5.585 -10.398 0.111 96 1HD PRO 13 1HD PRO 13 4.533 -7.749 -0.817 97 2HD PRO 13 2HD PRO 13 4.037 -8.733 0.577 98 H GLY 14 H GLY 14 9.049 -6.365 1.098 99 1HA GLY 14 1HA GLY 14 10.207 -4.578 0.234 100 2HA GLY 14 2HA GLY 14 9.665 -5.080 -1.359 101 H ARG 15 H ARG 15 9.901 -2.393 -0.581 102 HA ARG 15 HA ARG 15 7.467 -1.253 0.282 103 1HB ARG 15 1HB ARG 15 9.610 -0.030 0.305 104 2HB ARG 15 2HB ARG 15 9.642 -0.055 -1.453 105 1HG ARG 15 1HG ARG 15 8.923 2.103 -0.754 106 2HG ARG 15 2HG ARG 15 7.533 1.271 -1.449 107 1HD ARG 15 1HD ARG 15 6.891 2.444 0.581 108 2HD ARG 15 2HD ARG 15 6.755 0.702 0.807 109 HE ARG 15 HE ARG 15 8.250 0.897 2.510 110 1HH1 ARG 15 1HH1 ARG 15 8.757 3.566 0.322 111 2HH1 ARG 15 2HH1 ARG 15 10.007 4.282 1.282 112 1HH2 ARG 15 1HH2 ARG 15 9.892 1.841 3.779 113 2HH2 ARG 15 2HH2 ARG 15 10.651 3.302 3.246 114 H ALA 16 H ALA 16 5.563 -1.284 -0.760 115 HA ALA 16 HA ALA 16 5.483 -0.795 -3.626 116 1HB ALA 16 1HB ALA 16 5.696 -3.322 -3.164 117 2HB ALA 16 2HB ALA 16 4.021 -3.210 -2.624 118 3HB ALA 16 3HB ALA 16 4.444 -2.771 -4.277 119 H PHE 17 H PHE 17 3.027 -1.089 -4.306 120 HA PHE 17 HA PHE 17 1.459 0.480 -2.370 121 1HB PHE 17 1HB PHE 17 1.969 0.827 -5.197 122 2HB PHE 17 2HB PHE 17 0.242 0.678 -4.898 123 HD1 PHE 17 HD1 PHE 17 -0.790 2.205 -3.133 124 HD2 PHE 17 HD2 PHE 17 3.070 2.843 -4.814 125 HE1 PHE 17 HE1 PHE 17 -0.882 4.564 -2.441 126 HE2 PHE 17 HE2 PHE 17 2.985 5.203 -4.122 127 HZ PHE 17 HZ PHE 17 1.006 6.066 -2.934 128 H VAL 18 H VAL 18 -0.387 -0.346 -1.627 129 HA VAL 18 HA VAL 18 -1.484 -2.722 -2.981 130 HB VAL 18 HB VAL 18 -2.359 -3.438 -0.752 131 1HG1 VAL 18 1HG1 VAL 18 -0.374 -4.424 -1.764 132 2HG1 VAL 18 2HG1 VAL 18 0.635 -3.210 -0.975 133 3HG1 VAL 18 3HG1 VAL 18 -0.252 -4.386 -0.004 134 1HG2 VAL 18 1HG2 VAL 18 -0.671 -1.134 0.172 135 2HG2 VAL 18 2HG2 VAL 18 -2.350 -1.496 0.562 136 3HG2 VAL 18 3HG2 VAL 18 -1.056 -2.494 1.225 137 H THR 19 H THR 19 -3.650 -2.866 -3.244 138 HA THR 19 HA THR 19 -5.115 -0.362 -2.844 139 HB THR 19 HB THR 19 -5.763 -2.729 -4.614 140 HG1 THR 19 HG1 THR 19 -4.698 -0.163 -5.209 141 1HG2 THR 19 1HG2 THR 19 -7.104 -0.079 -4.239 142 2HG2 THR 19 2HG2 THR 19 -7.203 -0.960 -5.766 143 3HG2 THR 19 3HG2 THR 19 -7.821 -1.692 -4.283 144 H ILE 20 H ILE 20 -6.379 -0.241 -1.149 145 HA ILE 20 HA ILE 20 -7.581 -2.618 0.016 146 HB ILE 20 HB ILE 20 -8.101 -0.951 1.879 147 1HG1 ILE 20 1HG1 ILE 20 -5.880 0.565 0.537 148 2HG1 ILE 20 2HG1 ILE 20 -7.570 1.035 0.465 149 1HG2 ILE 20 1HG2 ILE 20 -5.261 -1.750 1.289 150 2HG2 ILE 20 2HG2 ILE 20 -5.856 -1.225 2.865 151 3HG2 ILE 20 3HG2 ILE 20 -6.470 -2.712 2.141 152 1HD1 ILE 20 1HD1 ILE 20 -6.737 0.614 3.178 153 2HD1 ILE 20 2HD1 ILE 20 -5.690 1.774 2.360 154 3HD1 ILE 20 3HD1 ILE 20 -7.431 2.046 2.418 155 H GLY 21 H GLY 21 -9.796 -2.677 0.459 156 1HA GLY 21 1HA GLY 21 -12.000 -2.420 -0.185 157 2HA GLY 21 2HA GLY 21 -11.707 -0.739 0.230 Start of MODEL 13 1 H ARG 4 H ARG 4 -11.891 3.819 -6.286 2 HA ARG 4 HA ARG 4 -11.187 2.392 -4.034 3 1HB ARG 4 1HB ARG 4 -9.865 2.826 -6.726 4 2HB ARG 4 2HB ARG 4 -9.454 1.532 -5.611 5 1HG ARG 4 1HG ARG 4 -12.179 1.923 -6.832 6 2HG ARG 4 2HG ARG 4 -10.942 0.830 -7.458 7 1HD ARG 4 1HD ARG 4 -10.976 -0.433 -5.378 8 2HD ARG 4 2HD ARG 4 -12.150 0.690 -4.690 9 HE ARG 4 HE ARG 4 -13.282 -0.263 -7.012 10 1HH1 ARG 4 1HH1 ARG 4 -12.116 -1.626 -4.028 11 2HH1 ARG 4 2HH1 ARG 4 -13.246 -2.938 -4.039 12 1HH2 ARG 4 1HH2 ARG 4 -14.773 -1.977 -7.026 13 2HH2 ARG 4 2HH2 ARG 4 -14.750 -3.135 -5.740 14 H LYS 5 H LYS 5 -9.263 2.282 -2.845 15 HA LYS 5 HA LYS 5 -7.503 4.651 -3.013 16 1HB LYS 5 1HB LYS 5 -9.108 4.675 -1.053 17 2HB LYS 5 2HB LYS 5 -8.285 3.235 -0.468 18 1HG LYS 5 1HG LYS 5 -6.197 4.488 -0.319 19 2HG LYS 5 2HG LYS 5 -7.026 5.936 -0.897 20 1HD LYS 5 1HD LYS 5 -8.559 5.752 1.055 21 2HD LYS 5 2HD LYS 5 -7.564 4.427 1.665 22 1HE LYS 5 1HE LYS 5 -6.884 6.436 2.765 23 2HE LYS 5 2HE LYS 5 -5.612 5.988 1.630 24 1HZ LYS 5 1HZ LYS 5 -7.662 7.785 0.618 25 2HZ LYS 5 2HZ LYS 5 -6.631 8.430 1.794 26 3HZ LYS 5 3HZ LYS 5 -5.988 7.795 0.364 27 H SER 6 H SER 6 -5.315 4.262 -2.425 28 HA SER 6 HA SER 6 -4.550 1.497 -1.892 29 1HB SER 6 1HB SER 6 -3.327 3.080 -4.170 30 2HB SER 6 2HB SER 6 -2.894 1.438 -3.680 31 HG SER 6 HG SER 6 -4.521 0.710 -4.809 32 H ILE 7 H ILE 7 -2.422 1.297 -0.976 33 HA ILE 7 HA ILE 7 -1.212 3.849 -0.185 34 HB ILE 7 HB ILE 7 -0.593 2.649 2.005 35 1HG1 ILE 7 1HG1 ILE 7 -3.070 1.073 1.270 36 2HG1 ILE 7 2HG1 ILE 7 -1.432 0.429 1.292 37 1HG2 ILE 7 1HG2 ILE 7 -2.728 4.321 1.258 38 2HG2 ILE 7 2HG2 ILE 7 -3.343 3.177 2.452 39 3HG2 ILE 7 3HG2 ILE 7 -1.934 4.170 2.827 40 1HD1 ILE 7 1HD1 ILE 7 -2.814 1.587 3.693 41 2HD1 ILE 7 2HD1 ILE 7 -2.788 -0.128 3.285 42 3HD1 ILE 7 3HD1 ILE 7 -1.282 0.712 3.651 43 H ARG 8 H ARG 8 0.905 3.941 0.127 44 HA ARG 8 HA ARG 8 2.527 1.774 -0.964 45 1HB ARG 8 1HB ARG 8 4.370 3.591 -0.608 46 2HB ARG 8 2HB ARG 8 3.226 3.793 -1.928 47 1HG ARG 8 1HG ARG 8 1.977 5.410 -0.702 48 2HG ARG 8 2HG ARG 8 2.895 5.081 0.770 49 1HD ARG 8 1HD ARG 8 4.876 6.021 -0.186 50 2HD ARG 8 2HD ARG 8 4.109 6.150 -1.770 51 HE ARG 8 HE ARG 8 3.294 8.162 -1.105 52 1HH1 ARG 8 1HH1 ARG 8 3.844 6.229 1.741 53 2HH1 ARG 8 2HH1 ARG 8 3.324 7.465 2.837 54 1HH2 ARG 8 1HH2 ARG 8 2.603 9.796 0.338 55 2HH2 ARG 8 2HH2 ARG 8 2.617 9.488 2.043 56 H ILE 9 H ILE 9 2.655 0.273 0.640 57 HA ILE 9 HA ILE 9 2.875 1.056 3.375 58 HB ILE 9 HB ILE 9 2.870 -1.230 3.969 59 1HG1 ILE 9 1HG1 ILE 9 4.593 -1.830 2.100 60 2HG1 ILE 9 2HG1 ILE 9 3.458 -3.051 2.647 61 1HG2 ILE 9 1HG2 ILE 9 1.139 -0.759 1.553 62 2HG2 ILE 9 2HG2 ILE 9 0.933 -2.106 2.673 63 3HG2 ILE 9 3HG2 ILE 9 0.741 -0.449 3.243 64 1HD1 ILE 9 1HD1 ILE 9 2.261 -1.663 0.491 65 2HD1 ILE 9 2HD1 ILE 9 3.909 -2.091 0.037 66 3HD1 ILE 9 3HD1 ILE 9 2.792 -3.340 0.575 67 H GLN 10 H GLN 10 4.609 0.771 4.782 68 HA GLN 10 HA GLN 10 7.226 0.897 3.500 69 1HB GLN 10 1HB GLN 10 6.475 1.437 6.383 70 2HB GLN 10 2HB GLN 10 8.041 1.735 5.643 71 1HG GLN 10 1HG GLN 10 7.050 3.825 5.689 72 2HG GLN 10 2HG GLN 10 6.785 3.274 4.037 73 1HE2 GLN 10 2HE2 GLN 10 5.196 5.172 4.505 74 2HE2 GLN 10 1HE2 GLN 10 3.606 4.681 4.969 75 H ARG 11 H ARG 11 5.450 -1.580 4.372 76 HA ARG 11 HA ARG 11 7.522 -2.980 5.895 77 1HB ARG 11 1HB ARG 11 5.788 -4.757 6.161 78 2HB ARG 11 2HB ARG 11 5.333 -3.201 6.843 79 1HG ARG 11 1HG ARG 11 3.986 -2.737 4.850 80 2HG ARG 11 2HG ARG 11 4.416 -4.320 4.202 81 1HD ARG 11 1HD ARG 11 3.329 -5.405 6.082 82 2HD ARG 11 2HD ARG 11 2.964 -3.837 6.799 83 HE ARG 11 HE ARG 11 1.842 -4.732 4.220 84 1HH1 ARG 11 1HH1 ARG 11 1.527 -3.163 7.319 85 2HH1 ARG 11 2HH1 ARG 11 -0.136 -2.745 7.080 86 1HH2 ARG 11 1HH2 ARG 11 -0.342 -4.173 3.899 87 2HH2 ARG 11 2HH2 ARG 11 -1.198 -3.318 5.139 88 H GLY 12 H GLY 12 7.396 -5.507 5.211 89 1HA GLY 12 1HA GLY 12 8.274 -5.490 2.408 90 2HA GLY 12 2HA GLY 12 8.729 -6.678 3.622 91 HA PRO 13 HA PRO 13 9.229 -8.036 2.071 92 1HB PRO 13 1HB PRO 13 9.113 -9.550 -0.147 93 2HB PRO 13 2HB PRO 13 8.738 -10.209 1.450 94 1HG PRO 13 1HG PRO 13 6.879 -9.325 -0.720 95 2HG PRO 13 2HG PRO 13 6.767 -10.738 0.344 96 1HD PRO 13 1HD PRO 13 5.386 -8.383 0.729 97 2HD PRO 13 2HD PRO 13 5.773 -9.538 2.019 98 H GLY 14 H GLY 14 10.032 -6.074 1.475 99 1HA GLY 14 1HA GLY 14 11.019 -4.661 -0.097 100 2HA GLY 14 2HA GLY 14 10.102 -5.464 -1.364 101 H ARG 15 H ARG 15 10.520 -2.592 -0.817 102 HA ARG 15 HA ARG 15 8.152 -1.448 0.216 103 1HB ARG 15 1HB ARG 15 10.281 -0.385 -1.636 104 2HB ARG 15 2HB ARG 15 8.927 0.595 -1.091 105 1HG ARG 15 1HG ARG 15 10.986 -0.703 0.685 106 2HG ARG 15 2HG ARG 15 10.942 0.999 0.228 107 1HD ARG 15 1HD ARG 15 8.593 1.025 1.252 108 2HD ARG 15 2HD ARG 15 9.024 -0.528 1.966 109 HE ARG 15 HE ARG 15 10.293 0.586 3.497 110 1HH1 ARG 15 1HH1 ARG 15 9.768 2.693 0.767 111 2HH1 ARG 15 2HH1 ARG 15 10.534 4.058 1.509 112 1HH2 ARG 15 1HH2 ARG 15 11.308 2.384 4.476 113 2HH2 ARG 15 2HH2 ARG 15 11.411 3.881 3.612 114 H ALA 16 H ALA 16 6.223 -1.064 -0.669 115 HA ALA 16 HA ALA 16 5.770 -0.781 -3.469 116 1HB ALA 16 1HB ALA 16 6.093 -3.299 -3.157 117 2HB ALA 16 2HB ALA 16 4.552 -3.265 -2.298 118 3HB ALA 16 3HB ALA 16 4.632 -2.767 -3.989 119 H PHE 17 H PHE 17 3.175 -1.238 -3.719 120 HA PHE 17 HA PHE 17 1.880 -0.079 -1.375 121 1HB PHE 17 1HB PHE 17 1.100 1.804 -2.395 122 2HB PHE 17 2HB PHE 17 2.569 1.602 -3.327 123 HD1 PHE 17 HD1 PHE 17 2.107 -0.162 -5.408 124 HD2 PHE 17 HD2 PHE 17 -0.694 2.476 -3.563 125 HE1 PHE 17 HE1 PHE 17 0.776 -0.146 -7.475 126 HE2 PHE 17 HE2 PHE 17 -2.030 2.492 -5.645 127 HZ PHE 17 HZ PHE 17 -1.295 1.181 -7.594 128 H VAL 18 H VAL 18 -0.156 -0.744 -1.000 129 HA VAL 18 HA VAL 18 -1.209 -2.805 -2.827 130 HB VAL 18 HB VAL 18 -2.063 -2.509 0.034 131 1HG1 VAL 18 1HG1 VAL 18 -2.075 -4.702 -2.004 132 2HG1 VAL 18 2HG1 VAL 18 -2.184 -5.064 -0.280 133 3HG1 VAL 18 3HG1 VAL 18 -3.409 -4.053 -1.047 134 1HG2 VAL 18 1HG2 VAL 18 0.501 -3.697 -0.961 135 2HG2 VAL 18 2HG2 VAL 18 0.227 -2.615 0.405 136 3HG2 VAL 18 3HG2 VAL 18 -0.277 -4.303 0.502 137 H THR 19 H THR 19 -3.603 -2.983 -2.868 138 HA THR 19 HA THR 19 -4.791 -0.307 -2.796 139 HB THR 19 HB THR 19 -5.593 -2.738 -4.396 140 HG1 THR 19 HG1 THR 19 -4.305 -1.912 -5.823 141 1HG2 THR 19 1HG2 THR 19 -6.806 0.015 -4.330 142 2HG2 THR 19 2HG2 THR 19 -7.078 -1.160 -5.618 143 3HG2 THR 19 3HG2 THR 19 -7.603 -1.519 -3.971 144 H ILE 20 H ILE 20 -6.876 -0.019 -2.071 145 HA ILE 20 HA ILE 20 -7.786 -1.927 -0.040 146 HB ILE 20 HB ILE 20 -8.396 1.027 -0.051 147 1HG1 ILE 20 1HG1 ILE 20 -5.999 -0.323 1.225 148 2HG1 ILE 20 2HG1 ILE 20 -5.952 0.845 -0.091 149 1HG2 ILE 20 1HG2 ILE 20 -8.577 -1.200 1.923 150 2HG2 ILE 20 2HG2 ILE 20 -8.372 0.455 2.491 151 3HG2 ILE 20 3HG2 ILE 20 -9.767 0.035 1.500 152 1HD1 ILE 20 1HD1 ILE 20 -7.357 2.118 1.949 153 2HD1 ILE 20 2HD1 ILE 20 -6.029 1.279 2.750 154 3HD1 ILE 20 3HD1 ILE 20 -5.692 2.420 1.448 155 H GLY 21 H GLY 21 -10.192 -1.722 0.396 156 1HA GLY 21 1HA GLY 21 -11.635 -2.052 -2.051 157 2HA GLY 21 2HA GLY 21 -12.303 -2.130 -0.428 Start of MODEL 14 1 H ARG 4 H ARG 4 -12.578 2.412 -5.023 2 HA ARG 4 HA ARG 4 -11.687 1.355 -2.566 3 1HB ARG 4 1HB ARG 4 -10.255 1.589 -5.219 4 2HB ARG 4 2HB ARG 4 -10.048 0.352 -3.987 5 1HG ARG 4 1HG ARG 4 -12.448 -0.320 -4.463 6 2HG ARG 4 2HG ARG 4 -12.349 0.716 -5.883 7 1HD ARG 4 1HD ARG 4 -10.437 -0.585 -6.691 8 2HD ARG 4 2HD ARG 4 -10.540 -1.617 -5.265 9 HE ARG 4 HE ARG 4 -12.216 -2.766 -6.289 10 1HH1 ARG 4 1HH1 ARG 4 -11.969 0.364 -7.813 11 2HH1 ARG 4 2HH1 ARG 4 -13.143 0.000 -9.032 12 1HH2 ARG 4 1HH2 ARG 4 -13.761 -3.244 -7.884 13 2HH2 ARG 4 2HH2 ARG 4 -14.161 -2.050 -9.073 14 H LYS 5 H LYS 5 -9.170 1.514 -2.288 15 HA LYS 5 HA LYS 5 -8.155 4.235 -2.526 16 1HB LYS 5 1HB LYS 5 -9.372 4.056 -0.326 17 2HB LYS 5 2HB LYS 5 -8.238 2.789 0.121 18 1HG LYS 5 1HG LYS 5 -6.391 4.348 -0.008 19 2HG LYS 5 2HG LYS 5 -7.480 5.626 -0.553 20 1HD LYS 5 1HD LYS 5 -8.671 5.552 1.560 21 2HD LYS 5 2HD LYS 5 -7.674 4.202 2.102 22 1HE LYS 5 1HE LYS 5 -6.674 6.973 1.445 23 2HE LYS 5 2HE LYS 5 -6.941 6.338 3.069 24 1HZ LYS 5 1HZ LYS 5 -5.327 4.507 2.350 25 2HZ LYS 5 2HZ LYS 5 -4.884 5.560 1.102 26 3HZ LYS 5 3HZ LYS 5 -4.687 6.030 2.715 27 H SER 6 H SER 6 -5.820 4.308 -2.203 28 HA SER 6 HA SER 6 -4.521 1.709 -1.952 29 1HB SER 6 1HB SER 6 -3.872 3.546 -4.254 30 2HB SER 6 2HB SER 6 -3.215 1.941 -3.950 31 HG SER 6 HG SER 6 -4.911 1.095 -4.857 32 H ILE 7 H ILE 7 -2.588 1.752 -0.938 33 HA ILE 7 HA ILE 7 -1.360 4.378 -0.437 34 HB ILE 7 HB ILE 7 -0.716 3.300 1.859 35 1HG1 ILE 7 1HG1 ILE 7 -3.349 1.924 1.298 36 2HG1 ILE 7 2HG1 ILE 7 -1.783 1.121 1.317 37 1HG2 ILE 7 1HG2 ILE 7 -2.934 4.947 1.005 38 2HG2 ILE 7 2HG2 ILE 7 -3.251 4.106 2.523 39 3HG2 ILE 7 3HG2 ILE 7 -1.825 5.131 2.366 40 1HD1 ILE 7 1HD1 ILE 7 -1.515 1.718 3.671 41 2HD1 ILE 7 2HD1 ILE 7 -3.094 2.506 3.645 42 3HD1 ILE 7 3HD1 ILE 7 -2.973 0.764 3.395 43 H ARG 8 H ARG 8 0.810 4.453 -0.084 44 HA ARG 8 HA ARG 8 2.356 2.195 -1.088 45 1HB ARG 8 1HB ARG 8 3.295 4.935 -0.202 46 2HB ARG 8 2HB ARG 8 4.247 3.737 -1.066 47 1HG ARG 8 1HG ARG 8 2.790 3.967 -3.013 48 2HG ARG 8 2HG ARG 8 1.819 5.161 -2.145 49 1HD ARG 8 1HD ARG 8 4.741 5.426 -2.859 50 2HD ARG 8 2HD ARG 8 3.400 6.238 -3.666 51 HE ARG 8 HE ARG 8 3.217 6.916 -0.996 52 1HH1 ARG 8 1HH1 ARG 8 5.543 7.299 -3.562 53 2HH1 ARG 8 2HH1 ARG 8 6.184 8.780 -2.934 54 1HH2 ARG 8 1HH2 ARG 8 4.050 8.862 -0.164 55 2HH2 ARG 8 2HH2 ARG 8 5.334 9.669 -0.999 56 H ILE 9 H ILE 9 2.400 0.679 0.553 57 HA ILE 9 HA ILE 9 2.659 1.518 3.269 58 HB ILE 9 HB ILE 9 2.474 -0.716 3.935 59 1HG1 ILE 9 1HG1 ILE 9 4.304 -1.622 2.494 60 2HG1 ILE 9 2HG1 ILE 9 2.892 -2.664 2.578 61 1HG2 ILE 9 1HG2 ILE 9 0.446 0.135 2.908 62 2HG2 ILE 9 2HG2 ILE 9 0.959 -0.489 1.341 63 3HG2 ILE 9 3HG2 ILE 9 0.593 -1.603 2.655 64 1HD1 ILE 9 1HD1 ILE 9 2.263 -1.339 0.369 65 2HD1 ILE 9 2HD1 ILE 9 4.018 -1.173 0.299 66 3HD1 ILE 9 3HD1 ILE 9 3.286 -2.773 0.362 67 H GLN 10 H GLN 10 4.411 1.365 4.616 68 HA GLN 10 HA GLN 10 7.013 1.296 3.310 69 1HB GLN 10 1HB GLN 10 7.858 2.298 5.392 70 2HB GLN 10 2HB GLN 10 6.534 3.225 4.704 71 1HG GLN 10 1HG GLN 10 4.999 2.261 6.331 72 2HG GLN 10 2HG GLN 10 6.311 1.296 7.007 73 1HE2 GLN 10 2HE2 GLN 10 5.363 2.568 8.914 74 2HE2 GLN 10 1HE2 GLN 10 6.154 4.057 9.286 75 H ARG 11 H ARG 11 5.243 -1.075 4.329 76 HA ARG 11 HA ARG 11 7.233 -2.381 6.035 77 1HB ARG 11 1HB ARG 11 5.490 -4.113 6.360 78 2HB ARG 11 2HB ARG 11 4.953 -2.508 6.835 79 1HG ARG 11 1HG ARG 11 3.699 -2.276 4.788 80 2HG ARG 11 2HG ARG 11 4.304 -3.829 4.208 81 1HD ARG 11 1HD ARG 11 3.178 -4.970 6.033 82 2HD ARG 11 2HD ARG 11 2.619 -3.427 6.678 83 HE ARG 11 HE ARG 11 1.748 -3.644 4.029 84 1HH1 ARG 11 1HH1 ARG 11 1.191 -5.145 7.124 85 2HH1 ARG 11 2HH1 ARG 11 -0.447 -5.577 6.762 86 1HH2 ARG 11 1HH2 ARG 11 -0.401 -4.211 3.546 87 2HH2 ARG 11 2HH2 ARG 11 -1.351 -5.047 4.727 88 H GLY 12 H GLY 12 7.071 -4.972 5.479 89 1HA GLY 12 1HA GLY 12 8.127 -5.107 2.744 90 2HA GLY 12 2HA GLY 12 8.457 -6.258 4.031 91 HA PRO 13 HA PRO 13 9.010 -7.591 2.342 92 1HB PRO 13 1HB PRO 13 8.894 -9.022 0.072 93 2HB PRO 13 2HB PRO 13 8.505 -9.737 1.643 94 1HG PRO 13 1HG PRO 13 6.665 -8.751 -0.500 95 2HG PRO 13 2HG PRO 13 6.537 -10.207 0.503 96 1HD PRO 13 1HD PRO 13 5.166 -7.871 0.985 97 2HD PRO 13 2HD PRO 13 5.557 -9.071 2.230 98 H GLY 14 H GLY 14 9.884 -5.660 1.781 99 1HA GLY 14 1HA GLY 14 10.856 -4.185 0.274 100 2HA GLY 14 2HA GLY 14 9.962 -4.963 -1.022 101 H ARG 15 H ARG 15 10.316 -2.164 -0.737 102 HA ARG 15 HA ARG 15 7.956 -0.985 0.375 103 1HB ARG 15 1HB ARG 15 10.133 0.066 -1.433 104 2HB ARG 15 2HB ARG 15 8.755 1.046 -0.959 105 1HG ARG 15 1HG ARG 15 10.729 1.489 0.416 106 2HG ARG 15 2HG ARG 15 9.381 0.873 1.369 107 1HD ARG 15 1HD ARG 15 10.378 -1.307 1.480 108 2HD ARG 15 2HD ARG 15 11.645 -0.836 0.348 109 HE ARG 15 HE ARG 15 12.807 -0.040 2.129 110 1HH1 ARG 15 1HH1 ARG 15 9.416 0.037 2.948 111 2HH1 ARG 15 2HH1 ARG 15 9.690 0.635 4.549 112 1HH2 ARG 15 1HH2 ARG 15 13.165 0.748 4.234 113 2HH2 ARG 15 2HH2 ARG 15 11.817 1.039 5.279 114 H ALA 16 H ALA 16 6.059 -0.496 -0.592 115 HA ALA 16 HA ALA 16 5.669 -0.321 -3.404 116 1HB ALA 16 1HB ALA 16 5.935 -2.876 -2.832 117 2HB ALA 16 2HB ALA 16 4.258 -2.707 -2.314 118 3HB ALA 16 3HB ALA 16 4.711 -2.324 -3.974 119 H PHE 17 H PHE 17 3.061 -0.936 -3.641 120 HA PHE 17 HA PHE 17 1.684 0.374 -1.432 121 1HB PHE 17 1HB PHE 17 0.968 2.198 -2.564 122 2HB PHE 17 2HB PHE 17 2.381 1.895 -3.559 123 HD1 PHE 17 HD1 PHE 17 1.820 0.032 -5.483 124 HD2 PHE 17 HD2 PHE 17 -0.928 2.740 -3.667 125 HE1 PHE 17 HE1 PHE 17 0.379 -0.114 -7.470 126 HE2 PHE 17 HE2 PHE 17 -2.369 2.600 -5.666 127 HZ PHE 17 HZ PHE 17 -1.719 1.175 -7.562 128 H VAL 18 H VAL 18 -0.456 -0.158 -1.196 129 HA VAL 18 HA VAL 18 -1.392 -2.389 -2.887 130 HB VAL 18 HB VAL 18 -2.213 -2.000 -0.025 131 1HG1 VAL 18 1HG1 VAL 18 -2.357 -4.223 -2.012 132 2HG1 VAL 18 2HG1 VAL 18 -2.376 -4.573 -0.285 133 3HG1 VAL 18 3HG1 VAL 18 -3.623 -3.546 -0.988 134 1HG2 VAL 18 1HG2 VAL 18 0.278 -3.332 -1.046 135 2HG2 VAL 18 2HG2 VAL 18 0.113 -2.142 0.246 136 3HG2 VAL 18 3HG2 VAL 18 -0.462 -3.793 0.487 137 H THR 19 H THR 19 -3.755 -2.625 -2.959 138 HA THR 19 HA THR 19 -5.124 -0.024 -2.753 139 HB THR 19 HB THR 19 -5.602 -2.227 -4.773 140 HG1 THR 19 HG1 THR 19 -3.856 -1.195 -5.497 141 1HG2 THR 19 1HG2 THR 19 -6.950 0.418 -4.353 142 2HG2 THR 19 2HG2 THR 19 -6.935 -0.396 -5.918 143 3HG2 THR 19 3HG2 THR 19 -7.680 -1.179 -4.523 144 H ILE 20 H ILE 20 -6.528 -0.059 -1.127 145 HA ILE 20 HA ILE 20 -7.828 -2.530 -0.331 146 HB ILE 20 HB ILE 20 -8.415 -1.249 1.694 147 1HG1 ILE 20 1HG1 ILE 20 -6.523 0.829 0.607 148 2HG1 ILE 20 2HG1 ILE 20 -8.278 0.990 0.624 149 1HG2 ILE 20 1HG2 ILE 20 -5.498 -1.474 1.019 150 2HG2 ILE 20 2HG2 ILE 20 -6.133 -1.248 2.650 151 3HG2 ILE 20 3HG2 ILE 20 -6.519 -2.713 1.747 152 1HD1 ILE 20 1HD1 ILE 20 -7.747 0.388 3.214 153 2HD1 ILE 20 2HD1 ILE 20 -6.335 1.342 2.760 154 3HD1 ILE 20 3HD1 ILE 20 -7.953 2.015 2.564 155 H GLY 21 H GLY 21 -10.088 -2.367 0.401 156 1HA GLY 21 1HA GLY 21 -12.303 -1.917 -0.003 157 2HA GLY 21 2HA GLY 21 -11.801 -0.242 -0.160 Start of MODEL 15 1 H ARG 4 H ARG 4 -12.402 2.022 -2.460 2 HA ARG 4 HA ARG 4 -10.899 1.061 -3.914 3 1HB ARG 4 1HB ARG 4 -12.106 1.779 -5.958 4 2HB ARG 4 2HB ARG 4 -11.507 3.414 -5.725 5 1HG ARG 4 1HG ARG 4 -10.191 2.371 -7.411 6 2HG ARG 4 2HG ARG 4 -9.191 2.534 -5.966 7 1HD ARG 4 1HD ARG 4 -9.496 0.212 -5.424 8 2HD ARG 4 2HD ARG 4 -10.673 0.019 -6.725 9 HE ARG 4 HE ARG 4 -8.006 0.867 -7.503 10 1HH1 ARG 4 1HH1 ARG 4 -10.262 -1.776 -7.141 11 2HH1 ARG 4 2HH1 ARG 4 -9.423 -2.803 -8.254 12 1HH2 ARG 4 1HH2 ARG 4 -6.905 -0.484 -8.959 13 2HH2 ARG 4 2HH2 ARG 4 -7.517 -2.072 -9.285 14 H LYS 5 H LYS 5 -9.601 1.561 -2.130 15 HA LYS 5 HA LYS 5 -8.157 4.135 -2.303 16 1HB LYS 5 1HB LYS 5 -9.698 3.499 -0.230 17 2HB LYS 5 2HB LYS 5 -8.290 2.560 0.231 18 1HG LYS 5 1HG LYS 5 -8.263 5.523 -0.304 19 2HG LYS 5 2HG LYS 5 -8.391 4.784 1.291 20 1HD LYS 5 1HD LYS 5 -6.207 3.633 0.837 21 2HD LYS 5 2HD LYS 5 -6.080 4.602 -0.629 22 1HE LYS 5 1HE LYS 5 -6.353 5.735 2.144 23 2HE LYS 5 2HE LYS 5 -4.827 5.548 1.280 24 1HZ LYS 5 1HZ LYS 5 -7.038 7.049 0.048 25 2HZ LYS 5 2HZ LYS 5 -6.051 7.798 1.201 26 3HZ LYS 5 3HZ LYS 5 -5.376 7.184 -0.224 27 H SER 6 H SER 6 -5.920 4.028 -2.164 28 HA SER 6 HA SER 6 -4.699 1.414 -1.744 29 1HB SER 6 1HB SER 6 -3.980 3.131 -4.126 30 2HB SER 6 2HB SER 6 -3.359 1.527 -3.740 31 HG SER 6 HG SER 6 -5.053 0.679 -4.643 32 H ILE 7 H ILE 7 -2.761 1.481 -0.702 33 HA ILE 7 HA ILE 7 -1.520 4.125 -0.316 34 HB ILE 7 HB ILE 7 -0.875 3.022 2.023 35 1HG1 ILE 7 1HG1 ILE 7 -3.688 2.012 1.640 36 2HG1 ILE 7 2HG1 ILE 7 -2.274 0.985 1.425 37 1HG2 ILE 7 1HG2 ILE 7 -2.611 5.038 1.161 38 2HG2 ILE 7 2HG2 ILE 7 -3.468 4.140 2.415 39 3HG2 ILE 7 3HG2 ILE 7 -1.878 4.826 2.754 40 1HD1 ILE 7 1HD1 ILE 7 -1.621 1.594 3.777 41 2HD1 ILE 7 2HD1 ILE 7 -3.215 2.332 3.937 42 3HD1 ILE 7 3HD1 ILE 7 -3.073 0.606 3.612 43 H ARG 8 H ARG 8 0.659 4.198 0.116 44 HA ARG 8 HA ARG 8 2.182 1.903 -0.835 45 1HB ARG 8 1HB ARG 8 4.134 3.494 -0.704 46 2HB ARG 8 2HB ARG 8 2.880 3.960 -1.842 47 1HG ARG 8 1HG ARG 8 2.748 5.085 0.907 48 2HG ARG 8 2HG ARG 8 3.995 5.690 -0.181 49 1HD ARG 8 1HD ARG 8 2.266 6.231 -1.841 50 2HD ARG 8 2HD ARG 8 1.026 5.650 -0.732 51 HE ARG 8 HE ARG 8 2.385 7.550 0.686 52 1HH1 ARG 8 1HH1 ARG 8 0.699 7.481 -2.364 53 2HH1 ARG 8 2HH1 ARG 8 0.231 9.147 -2.289 54 1HH2 ARG 8 1HH2 ARG 8 1.773 9.744 0.791 55 2HH2 ARG 8 2HH2 ARG 8 0.842 10.433 -0.496 56 H ILE 9 H ILE 9 2.295 0.441 0.803 57 HA ILE 9 HA ILE 9 2.565 1.314 3.510 58 HB ILE 9 HB ILE 9 2.386 -0.915 4.195 59 1HG1 ILE 9 1HG1 ILE 9 4.196 -1.855 2.761 60 2HG1 ILE 9 2HG1 ILE 9 2.767 -2.874 2.822 61 1HG2 ILE 9 1HG2 ILE 9 0.373 -0.009 3.116 62 2HG2 ILE 9 2HG2 ILE 9 0.865 -0.764 1.600 63 3HG2 ILE 9 3HG2 ILE 9 0.468 -1.766 2.995 64 1HD1 ILE 9 1HD1 ILE 9 2.148 -1.605 0.620 65 2HD1 ILE 9 2HD1 ILE 9 3.884 -1.302 0.571 66 3HD1 ILE 9 3HD1 ILE 9 3.280 -2.954 0.606 67 H GLN 10 H GLN 10 4.301 1.107 4.875 68 HA GLN 10 HA GLN 10 6.908 1.204 3.628 69 1HB GLN 10 1HB GLN 10 6.065 1.515 6.517 70 2HB GLN 10 2HB GLN 10 7.695 1.775 5.913 71 1HG GLN 10 1HG GLN 10 6.947 3.620 4.554 72 2HG GLN 10 2HG GLN 10 5.273 3.322 5.014 73 1HE2 GLN 10 2HE2 GLN 10 4.635 3.751 7.168 74 2HE2 GLN 10 1HE2 GLN 10 5.523 4.855 8.154 75 H ARG 11 H ARG 11 5.129 -1.307 4.192 76 HA ARG 11 HA ARG 11 7.090 -2.933 5.634 77 1HB ARG 11 1HB ARG 11 4.346 -3.721 4.638 78 2HB ARG 11 2HB ARG 11 5.359 -4.621 5.758 79 1HG ARG 11 1HG ARG 11 5.102 -2.900 7.437 80 2HG ARG 11 2HG ARG 11 4.177 -1.903 6.310 81 1HD ARG 11 1HD ARG 11 2.464 -3.669 6.193 82 2HD ARG 11 2HD ARG 11 3.379 -4.618 7.363 83 HE ARG 11 HE ARG 11 2.969 -2.214 8.597 84 1HH1 ARG 11 1HH1 ARG 11 0.913 -4.623 7.148 85 2HH1 ARG 11 2HH1 ARG 11 -0.424 -4.306 8.202 86 1HH2 ARG 11 1HH2 ARG 11 1.214 -1.788 9.994 87 2HH2 ARG 11 2HH2 ARG 11 -0.253 -2.693 9.820 88 H GLY 12 H GLY 12 6.876 -5.369 4.604 89 1HA GLY 12 1HA GLY 12 7.922 -5.035 1.878 90 2HA GLY 12 2HA GLY 12 8.277 -6.378 2.951 91 HA PRO 13 HA PRO 13 8.801 -7.550 1.192 92 1HB PRO 13 1HB PRO 13 8.691 -8.606 -1.284 93 2HB PRO 13 2HB PRO 13 8.270 -9.546 0.154 94 1HG PRO 13 1HG PRO 13 6.472 -8.194 -1.819 95 2HG PRO 13 2HG PRO 13 6.306 -9.789 -1.063 96 1HD PRO 13 1HD PRO 13 4.962 -7.553 -0.221 97 2HD PRO 13 2HD PRO 13 5.358 -8.922 0.835 98 H GLY 14 H GLY 14 9.704 -5.563 0.979 99 1HA GLY 14 1HA GLY 14 10.711 -3.845 -0.187 100 2HA GLY 14 2HA GLY 14 9.998 -4.479 -1.664 101 H ARG 15 H ARG 15 10.192 -1.720 -0.903 102 HA ARG 15 HA ARG 15 7.788 -0.707 0.141 103 1HB ARG 15 1HB ARG 15 9.977 0.446 -1.556 104 2HB ARG 15 2HB ARG 15 8.515 1.376 -1.265 105 1HG ARG 15 1HG ARG 15 10.461 1.826 0.277 106 2HG ARG 15 2HG ARG 15 8.912 1.490 1.048 107 1HD ARG 15 1HD ARG 15 10.760 0.336 2.171 108 2HD ARG 15 2HD ARG 15 9.601 -0.801 1.485 109 HE ARG 15 HE ARG 15 11.710 -0.324 -0.340 110 1HH1 ARG 15 1HH1 ARG 15 11.000 -1.965 2.653 111 2HH1 ARG 15 2HH1 ARG 15 12.203 -3.188 2.418 112 1HH2 ARG 15 1HH2 ARG 15 13.300 -1.934 -0.654 113 2HH2 ARG 15 2HH2 ARG 15 13.510 -3.170 0.542 114 H ALA 16 H ALA 16 5.850 -1.070 -0.659 115 HA ALA 16 HA ALA 16 5.331 -0.567 -3.496 116 1HB ALA 16 1HB ALA 16 5.728 -3.075 -3.012 117 2HB ALA 16 2HB ALA 16 4.156 -3.011 -2.216 118 3HB ALA 16 3HB ALA 16 4.295 -2.609 -3.928 119 H PHE 17 H PHE 17 2.738 -1.117 -3.652 120 HA PHE 17 HA PHE 17 1.468 0.123 -1.334 121 1HB PHE 17 1HB PHE 17 0.624 1.933 -2.418 122 2HB PHE 17 2HB PHE 17 2.049 1.703 -3.414 123 HD1 PHE 17 HD1 PHE 17 1.490 -0.248 -5.320 124 HD2 PHE 17 HD2 PHE 17 -1.215 2.551 -3.583 125 HE1 PHE 17 HE1 PHE 17 0.064 -0.399 -7.318 126 HE2 PHE 17 HE2 PHE 17 -2.644 2.402 -5.592 127 HZ PHE 17 HZ PHE 17 -2.007 0.926 -7.454 128 H VAL 18 H VAL 18 -0.604 -0.479 -0.929 129 HA VAL 18 HA VAL 18 -1.610 -2.715 -2.562 130 HB VAL 18 HB VAL 18 -2.442 -2.201 0.277 131 1HG1 VAL 18 1HG1 VAL 18 -2.544 -4.517 -1.610 132 2HG1 VAL 18 2HG1 VAL 18 -2.588 -4.786 0.131 133 3HG1 VAL 18 3HG1 VAL 18 -3.834 -3.803 -0.640 134 1HG2 VAL 18 1HG2 VAL 18 0.005 -3.718 -0.621 135 2HG2 VAL 18 2HG2 VAL 18 -0.045 -2.291 0.415 136 3HG2 VAL 18 3HG2 VAL 18 -0.696 -3.823 0.994 137 H THR 19 H THR 19 -3.971 -2.946 -2.621 138 HA THR 19 HA THR 19 -5.323 -0.330 -2.543 139 HB THR 19 HB THR 19 -5.814 -2.618 -4.460 140 HG1 THR 19 HG1 THR 19 -3.972 -1.596 -5.085 141 1HG2 THR 19 1HG2 THR 19 -7.208 -0.029 -4.024 142 2HG2 THR 19 2HG2 THR 19 -7.021 -0.633 -5.672 143 3HG2 THR 19 3HG2 THR 19 -7.860 -1.608 -4.465 144 H ILE 20 H ILE 20 -6.665 -0.299 -0.887 145 HA ILE 20 HA ILE 20 -8.134 -2.701 -0.135 146 HB ILE 20 HB ILE 20 -8.524 -1.265 1.979 147 1HG1 ILE 20 1HG1 ILE 20 -7.443 0.737 0.794 148 2HG1 ILE 20 2HG1 ILE 20 -7.015 0.444 2.474 149 1HG2 ILE 20 1HG2 ILE 20 -5.922 -2.596 1.287 150 2HG2 ILE 20 2HG2 ILE 20 -6.314 -2.047 2.916 151 3HG2 ILE 20 3HG2 ILE 20 -7.303 -3.285 2.142 152 1HD1 ILE 20 1HD1 ILE 20 -5.241 -0.887 0.580 153 2HD1 ILE 20 2HD1 ILE 20 -5.253 0.871 0.432 154 3HD1 ILE 20 3HD1 ILE 20 -4.868 0.116 1.978 155 H GLY 21 H GLY 21 -10.252 -1.964 1.090 156 1HA GLY 21 1HA GLY 21 -12.066 -1.069 -0.810 157 2HA GLY 21 2HA GLY 21 -12.364 -1.067 0.922 Start of MODEL 16 1 H ARG 4 H ARG 4 -12.136 3.768 -5.744 2 HA ARG 4 HA ARG 4 -11.935 2.870 -3.792 3 1HB ARG 4 1HB ARG 4 -10.680 0.682 -3.484 4 2HB ARG 4 2HB ARG 4 -12.078 0.630 -4.545 5 1HG ARG 4 1HG ARG 4 -10.521 0.820 -6.487 6 2HG ARG 4 2HG ARG 4 -9.178 0.669 -5.352 7 1HD ARG 4 1HD ARG 4 -10.034 -1.506 -4.630 8 2HD ARG 4 2HD ARG 4 -11.385 -1.352 -5.753 9 HE ARG 4 HE ARG 4 -8.858 -1.121 -7.064 10 1HH1 ARG 4 1HH1 ARG 4 -11.169 -3.401 -5.793 11 2HH1 ARG 4 2HH1 ARG 4 -10.649 -4.694 -6.823 12 1HH2 ARG 4 1HH2 ARG 4 -8.169 -2.816 -8.417 13 2HH2 ARG 4 2HH2 ARG 4 -8.944 -4.363 -8.312 14 H LYS 5 H LYS 5 -10.167 2.418 -2.097 15 HA LYS 5 HA LYS 5 -8.119 4.435 -2.466 16 1HB LYS 5 1HB LYS 5 -9.156 2.855 -0.138 17 2HB LYS 5 2HB LYS 5 -7.618 3.694 -0.013 18 1HG LYS 5 1HG LYS 5 -8.692 5.815 -0.463 19 2HG LYS 5 2HG LYS 5 -10.241 5.005 -0.704 20 1HD LYS 5 1HD LYS 5 -10.010 6.045 1.542 21 2HD LYS 5 2HD LYS 5 -10.297 4.306 1.599 22 1HE LYS 5 1HE LYS 5 -8.587 4.945 3.208 23 2HE LYS 5 2HE LYS 5 -7.895 3.929 1.948 24 1HZ LYS 5 1HZ LYS 5 -7.280 6.150 0.854 25 2HZ LYS 5 2HZ LYS 5 -7.549 6.825 2.382 26 3HZ LYS 5 3HZ LYS 5 -6.366 5.632 2.182 27 H SER 6 H SER 6 -5.919 4.127 -2.253 28 HA SER 6 HA SER 6 -4.896 1.422 -1.953 29 1HB SER 6 1HB SER 6 -4.106 3.154 -4.322 30 2HB SER 6 2HB SER 6 -3.467 1.557 -3.935 31 HG SER 6 HG SER 6 -5.181 0.668 -4.803 32 H ILE 7 H ILE 7 -2.787 1.387 -1.091 33 HA ILE 7 HA ILE 7 -1.653 4.025 -0.429 34 HB ILE 7 HB ILE 7 -0.912 2.925 1.766 35 1HG1 ILE 7 1HG1 ILE 7 -3.214 1.102 1.040 36 2HG1 ILE 7 2HG1 ILE 7 -1.527 0.633 1.213 37 1HG2 ILE 7 1HG2 ILE 7 -3.204 4.396 1.065 38 2HG2 ILE 7 2HG2 ILE 7 -3.691 3.209 2.276 39 3HG2 ILE 7 3HG2 ILE 7 -2.368 4.323 2.617 40 1HD1 ILE 7 1HD1 ILE 7 -3.216 1.746 3.436 41 2HD1 ILE 7 2HD1 ILE 7 -2.936 0.029 3.144 42 3HD1 ILE 7 3HD1 ILE 7 -1.585 1.083 3.564 43 H ARG 8 H ARG 8 0.526 4.152 -0.105 44 HA ARG 8 HA ARG 8 2.105 1.999 -1.297 45 1HB ARG 8 1HB ARG 8 3.961 3.707 -1.236 46 2HB ARG 8 2HB ARG 8 2.606 4.135 -2.266 47 1HG ARG 8 1HG ARG 8 1.758 5.636 -0.518 48 2HG ARG 8 2HG ARG 8 3.132 5.211 0.503 49 1HD ARG 8 1HD ARG 8 3.238 6.572 -2.185 50 2HD ARG 8 2HD ARG 8 3.531 7.325 -0.619 51 HE ARG 8 HE ARG 8 5.365 5.737 -2.149 52 1HH1 ARG 8 1HH1 ARG 8 4.525 6.811 1.061 53 2HH1 ARG 8 2HH1 ARG 8 6.121 6.575 1.693 54 1HH2 ARG 8 1HH2 ARG 8 7.458 5.424 -1.326 55 2HH2 ARG 8 2HH2 ARG 8 7.788 5.787 0.335 56 H ILE 9 H ILE 9 2.126 0.537 0.366 57 HA ILE 9 HA ILE 9 2.592 1.336 3.058 58 HB ILE 9 HB ILE 9 2.445 -0.941 3.676 59 1HG1 ILE 9 1HG1 ILE 9 4.087 -1.840 2.037 60 2HG1 ILE 9 2HG1 ILE 9 2.639 -2.828 2.168 61 1HG2 ILE 9 1HG2 ILE 9 0.595 0.094 1.685 62 2HG2 ILE 9 2HG2 ILE 9 0.573 -1.666 1.802 63 3HG2 ILE 9 3HG2 ILE 9 0.279 -0.683 3.235 64 1HD1 ILE 9 1HD1 ILE 9 1.826 -1.534 0.103 65 2HD1 ILE 9 2HD1 ILE 9 3.517 -1.062 -0.069 66 3HD1 ILE 9 3HD1 ILE 9 3.073 -2.764 -0.100 67 H GLN 10 H GLN 10 4.399 0.952 4.356 68 HA GLN 10 HA GLN 10 6.928 0.858 2.903 69 1HB GLN 10 1HB GLN 10 7.941 1.718 4.957 70 2HB GLN 10 2HB GLN 10 6.599 2.728 4.442 71 1HG GLN 10 1HG GLN 10 5.165 1.671 6.122 72 2HG GLN 10 2HG GLN 10 6.522 0.672 6.641 73 1HE2 GLN 10 2HE2 GLN 10 6.048 1.670 8.736 74 2HE2 GLN 10 1HE2 GLN 10 6.749 3.206 9.101 75 H ARG 11 H ARG 11 5.054 -1.462 3.915 76 HA ARG 11 HA ARG 11 7.077 -2.977 5.402 77 1HB ARG 11 1HB ARG 11 4.209 -3.733 4.780 78 2HB ARG 11 2HB ARG 11 5.310 -4.625 5.817 79 1HG ARG 11 1HG ARG 11 4.211 -3.519 7.436 80 2HG ARG 11 2HG ARG 11 5.383 -2.256 7.058 81 1HD ARG 11 1HD ARG 11 3.774 -1.190 5.570 82 2HD ARG 11 2HD ARG 11 2.609 -2.475 5.891 83 HE ARG 11 HE ARG 11 3.517 -1.094 8.248 84 1HH1 ARG 11 1HH1 ARG 11 1.180 -1.137 5.664 85 2HH1 ARG 11 2HH1 ARG 11 0.014 -0.195 6.531 86 1HH2 ARG 11 1HH2 ARG 11 1.986 0.144 9.395 87 2HH2 ARG 11 2HH2 ARG 11 0.472 0.533 8.650 88 H GLY 12 H GLY 12 6.683 -5.524 4.699 89 1HA GLY 12 1HA GLY 12 7.537 -5.536 1.894 90 2HA GLY 12 2HA GLY 12 7.883 -6.791 3.075 91 HA PRO 13 HA PRO 13 8.213 -8.090 1.260 92 1HB PRO 13 1HB PRO 13 7.813 -9.183 -1.172 93 2HB PRO 13 2HB PRO 13 7.495 -10.077 0.320 94 1HG PRO 13 1HG PRO 13 5.571 -8.657 -1.484 95 2HG PRO 13 2HG PRO 13 5.414 -10.246 -0.711 96 1HD PRO 13 1HD PRO 13 4.238 -7.984 0.262 97 2HD PRO 13 2HD PRO 13 4.737 -9.342 1.290 98 H GLY 14 H GLY 14 9.209 -6.170 0.902 99 1HA GLY 14 1HA GLY 14 10.134 -4.471 -0.350 100 2HA GLY 14 2HA GLY 14 9.336 -5.147 -1.763 101 H ARG 15 H ARG 15 9.619 -2.341 -0.958 102 HA ARG 15 HA ARG 15 7.072 -1.422 -0.029 103 1HB ARG 15 1HB ARG 15 9.428 -0.025 -1.300 104 2HB ARG 15 2HB ARG 15 7.947 0.825 -0.889 105 1HG ARG 15 1HG ARG 15 9.657 1.101 0.825 106 2HG ARG 15 2HG ARG 15 8.236 0.267 1.450 107 1HD ARG 15 1HD ARG 15 9.383 -1.870 1.262 108 2HD ARG 15 2HD ARG 15 10.792 -1.072 0.564 109 HE ARG 15 HE ARG 15 10.138 -1.278 3.325 110 1HH1 ARG 15 1HH1 ARG 15 11.635 0.817 0.974 111 2HH1 ARG 15 2HH1 ARG 15 12.650 1.606 2.135 112 1HH2 ARG 15 1HH2 ARG 15 11.467 -0.243 4.856 113 2HH2 ARG 15 2HH2 ARG 15 12.555 1.001 4.341 114 H ALA 16 H ALA 16 5.290 -0.895 -1.177 115 HA ALA 16 HA ALA 16 5.351 -0.295 -3.975 116 1HB ALA 16 1HB ALA 16 5.520 -2.916 -3.641 117 2HB ALA 16 2HB ALA 16 3.772 -2.758 -3.464 118 3HB ALA 16 3HB ALA 16 4.563 -2.203 -4.939 119 H PHE 17 H PHE 17 2.899 -0.638 -4.792 120 HA PHE 17 HA PHE 17 1.265 0.826 -2.834 121 1HB PHE 17 1HB PHE 17 1.773 1.218 -5.642 122 2HB PHE 17 2HB PHE 17 0.051 0.965 -5.381 123 HD1 PHE 17 HD1 PHE 17 -0.997 2.358 -3.424 124 HD2 PHE 17 HD2 PHE 17 2.636 3.340 -5.414 125 HE1 PHE 17 HE1 PHE 17 -1.242 4.699 -2.708 126 HE2 PHE 17 HE2 PHE 17 2.397 5.683 -4.701 127 HZ PHE 17 HZ PHE 17 0.456 6.366 -3.345 128 H VAL 18 H VAL 18 -0.306 -0.264 -1.897 129 HA VAL 18 HA VAL 18 -1.457 -2.582 -3.298 130 HB VAL 18 HB VAL 18 -2.222 -3.342 -1.045 131 1HG1 VAL 18 1HG1 VAL 18 0.742 -2.986 -1.456 132 2HG1 VAL 18 2HG1 VAL 18 0.013 -4.105 -0.302 133 3HG1 VAL 18 3HG1 VAL 18 -0.262 -4.318 -2.032 134 1HG2 VAL 18 1HG2 VAL 18 -2.174 -1.171 0.082 135 2HG2 VAL 18 2HG2 VAL 18 -1.205 -2.366 0.944 136 3HG2 VAL 18 3HG2 VAL 18 -0.416 -1.140 -0.048 137 H THR 19 H THR 19 -3.739 -2.915 -3.102 138 HA THR 19 HA THR 19 -5.160 -0.362 -2.834 139 HB THR 19 HB THR 19 -5.899 -2.839 -4.391 140 HG1 THR 19 HG1 THR 19 -4.757 -1.881 -5.857 141 1HG2 THR 19 1HG2 THR 19 -7.369 -0.252 -4.012 142 2HG2 THR 19 2HG2 THR 19 -7.604 -1.279 -5.425 143 3HG2 THR 19 3HG2 THR 19 -7.971 -1.898 -3.814 144 H ILE 20 H ILE 20 -7.224 -0.297 -1.932 145 HA ILE 20 HA ILE 20 -7.895 -2.423 -0.029 146 HB ILE 20 HB ILE 20 -8.588 0.316 0.789 147 1HG1 ILE 20 1HG1 ILE 20 -5.697 -0.588 0.863 148 2HG1 ILE 20 2HG1 ILE 20 -6.338 0.708 -0.141 149 1HG2 ILE 20 1HG2 ILE 20 -8.993 -1.681 2.160 150 2HG2 ILE 20 2HG2 ILE 20 -7.253 -1.950 2.254 151 3HG2 ILE 20 3HG2 ILE 20 -7.962 -0.506 2.974 152 1HD1 ILE 20 1HD1 ILE 20 -7.134 1.417 2.397 153 2HD1 ILE 20 2HD1 ILE 20 -5.525 0.736 2.636 154 3HD1 ILE 20 3HD1 ILE 20 -5.758 2.072 1.509 155 H GLY 21 H GLY 21 -10.103 -2.677 0.347 156 1HA GLY 21 1HA GLY 21 -12.358 -2.596 -0.097 157 2HA GLY 21 2HA GLY 21 -12.113 -0.930 -0.602 Start of MODEL 17 1 H ARG 4 H ARG 4 -12.820 2.666 -4.141 2 HA ARG 4 HA ARG 4 -11.523 0.955 -3.483 3 1HB ARG 4 1HB ARG 4 -9.890 -0.129 -5.050 4 2HB ARG 4 2HB ARG 4 -11.574 -0.347 -5.499 5 1HG ARG 4 1HG ARG 4 -11.352 1.405 -7.198 6 2HG ARG 4 2HG ARG 4 -9.664 1.637 -6.738 7 1HD ARG 4 1HD ARG 4 -9.159 -0.663 -7.390 8 2HD ARG 4 2HD ARG 4 -10.851 -0.925 -7.814 9 HE ARG 4 HE ARG 4 -9.819 1.279 -9.253 10 1HH1 ARG 4 1HH1 ARG 4 -9.660 -2.204 -9.125 11 2HH1 ARG 4 2HH1 ARG 4 -9.285 -2.375 -10.808 12 1HH2 ARG 4 1HH2 ARG 4 -9.324 1.055 -11.469 13 2HH2 ARG 4 2HH2 ARG 4 -9.093 -0.527 -12.135 14 H LYS 5 H LYS 5 -10.225 1.946 -2.095 15 HA LYS 5 HA LYS 5 -8.450 4.101 -2.963 16 1HB LYS 5 1HB LYS 5 -9.834 4.376 -0.918 17 2HB LYS 5 2HB LYS 5 -9.014 3.001 -0.195 18 1HG LYS 5 1HG LYS 5 -6.897 4.229 -0.266 19 2HG LYS 5 2HG LYS 5 -7.733 5.614 -0.974 20 1HD LYS 5 1HD LYS 5 -9.088 5.846 1.026 21 2HD LYS 5 2HD LYS 5 -8.347 4.403 1.722 22 1HE LYS 5 1HE LYS 5 -6.170 5.516 1.725 23 2HE LYS 5 2HE LYS 5 -6.898 6.954 1.009 24 1HZ LYS 5 1HZ LYS 5 -8.407 6.887 3.069 25 2HZ LYS 5 2HZ LYS 5 -7.225 5.877 3.733 26 3HZ LYS 5 3HZ LYS 5 -6.821 7.447 3.251 27 H SER 6 H SER 6 -6.144 4.063 -2.153 28 HA SER 6 HA SER 6 -5.138 1.383 -1.622 29 1HB SER 6 1HB SER 6 -4.186 3.029 -3.977 30 2HB SER 6 2HB SER 6 -3.409 1.557 -3.397 31 HG SER 6 HG SER 6 -6.134 1.378 -3.887 32 H ILE 7 H ILE 7 -3.050 1.326 -0.684 33 HA ILE 7 HA ILE 7 -1.950 3.929 0.133 34 HB ILE 7 HB ILE 7 -1.290 2.666 2.307 35 1HG1 ILE 7 1HG1 ILE 7 -3.802 1.157 1.573 36 2HG1 ILE 7 2HG1 ILE 7 -2.176 0.482 1.539 37 1HG2 ILE 7 1HG2 ILE 7 -3.356 4.426 1.654 38 2HG2 ILE 7 2HG2 ILE 7 -4.059 3.218 2.732 39 3HG2 ILE 7 3HG2 ILE 7 -2.633 4.127 3.236 40 1HD1 ILE 7 1HD1 ILE 7 -3.528 1.581 3.990 41 2HD1 ILE 7 2HD1 ILE 7 -3.440 -0.127 3.555 42 3HD1 ILE 7 3HD1 ILE 7 -1.962 0.768 3.917 43 H ARG 8 H ARG 8 0.231 4.023 0.513 44 HA ARG 8 HA ARG 8 1.808 1.855 -0.659 45 1HB ARG 8 1HB ARG 8 2.250 4.121 -1.505 46 2HB ARG 8 2HB ARG 8 2.579 4.681 0.128 47 1HG ARG 8 1HG ARG 8 4.546 3.295 0.259 48 2HG ARG 8 2HG ARG 8 4.185 2.579 -1.314 49 1HD ARG 8 1HD ARG 8 4.456 4.766 -2.371 50 2HD ARG 8 2HD ARG 8 4.796 5.491 -0.803 51 HE ARG 8 HE ARG 8 6.734 3.758 -0.837 52 1HH1 ARG 8 1HH1 ARG 8 5.515 5.544 -3.577 53 2HH1 ARG 8 2HH1 ARG 8 7.045 5.597 -4.387 54 1HH2 ARG 8 1HH2 ARG 8 8.753 3.829 -1.895 55 2HH2 ARG 8 2HH2 ARG 8 8.885 4.622 -3.429 56 H ILE 9 H ILE 9 1.947 0.345 0.946 57 HA ILE 9 HA ILE 9 2.235 1.080 3.683 58 HB ILE 9 HB ILE 9 2.306 -1.234 4.209 59 1HG1 ILE 9 1HG1 ILE 9 4.042 -1.943 2.606 60 2HG1 ILE 9 2HG1 ILE 9 2.656 -3.024 2.579 61 1HG2 ILE 9 1HG2 ILE 9 0.363 -0.211 2.361 62 2HG2 ILE 9 2HG2 ILE 9 0.547 -1.953 2.152 63 3HG2 ILE 9 3HG2 ILE 9 0.144 -1.292 3.735 64 1HD1 ILE 9 1HD1 ILE 9 1.867 -1.697 0.560 65 2HD1 ILE 9 2HD1 ILE 9 3.494 -1.008 0.534 66 3HD1 ILE 9 3HD1 ILE 9 3.269 -2.745 0.351 67 H GLN 10 H GLN 10 4.053 0.752 5.037 68 HA GLN 10 HA GLN 10 6.604 1.046 3.649 69 1HB GLN 10 1HB GLN 10 5.874 2.684 5.406 70 2HB GLN 10 2HB GLN 10 6.018 1.397 6.595 71 1HG GLN 10 1HG GLN 10 8.401 1.205 6.110 72 2HG GLN 10 2HG GLN 10 8.261 2.470 4.892 73 1HE2 GLN 10 2HE2 GLN 10 9.989 2.529 7.119 74 2HE2 GLN 10 1HE2 GLN 10 9.514 3.847 8.129 75 H ARG 11 H ARG 11 4.985 -1.536 4.411 76 HA ARG 11 HA ARG 11 7.126 -2.944 5.834 77 1HB ARG 11 1HB ARG 11 5.548 -4.741 6.165 78 2HB ARG 11 2HB ARG 11 4.787 -3.222 6.622 79 1HG ARG 11 1HG ARG 11 3.661 -3.167 4.430 80 2HG ARG 11 2HG ARG 11 4.363 -4.739 4.055 81 1HD ARG 11 1HD ARG 11 2.136 -5.107 4.817 82 2HD ARG 11 2HD ARG 11 3.225 -5.637 6.098 83 HE ARG 11 HE ARG 11 1.412 -3.370 6.161 84 1HH1 ARG 11 1HH1 ARG 11 4.056 -5.057 7.690 85 2HH1 ARG 11 2HH1 ARG 11 3.833 -4.274 9.220 86 1HH2 ARG 11 1HH2 ARG 11 1.119 -2.340 8.169 87 2HH2 ARG 11 2HH2 ARG 11 2.166 -2.730 9.491 88 H GLY 12 H GLY 12 7.251 -5.374 4.993 89 1HA GLY 12 1HA GLY 12 8.007 -5.136 2.166 90 2HA GLY 12 2HA GLY 12 8.622 -6.328 3.298 91 HA PRO 13 HA PRO 13 9.196 -7.558 1.639 92 1HB PRO 13 1HB PRO 13 8.595 -8.779 -0.915 93 2HB PRO 13 2HB PRO 13 9.379 -9.498 0.492 94 1HG PRO 13 1HG PRO 13 6.896 -10.223 -0.398 95 2HG PRO 13 2HG PRO 13 7.426 -10.385 1.285 96 1HD PRO 13 1HD PRO 13 5.715 -8.269 0.029 97 2HD PRO 13 2HD PRO 13 5.552 -9.062 1.613 98 H GLY 14 H GLY 14 9.885 -5.550 1.148 99 1HA GLY 14 1HA GLY 14 10.597 -3.861 -0.266 100 2HA GLY 14 2HA GLY 14 9.776 -4.669 -1.592 101 H ARG 15 H ARG 15 9.796 -1.857 -1.087 102 HA ARG 15 HA ARG 15 7.337 -1.067 0.126 103 1HB ARG 15 1HB ARG 15 9.350 0.419 -0.149 104 2HB ARG 15 2HB ARG 15 9.008 0.478 -1.871 105 1HG ARG 15 1HG ARG 15 8.135 2.461 -0.912 106 2HG ARG 15 2HG ARG 15 6.757 1.427 -1.299 107 1HD ARG 15 1HD ARG 15 6.415 2.385 0.880 108 2HD ARG 15 2HD ARG 15 6.740 0.663 1.060 109 HE ARG 15 HE ARG 15 8.607 1.185 2.252 110 1HH1 ARG 15 1HH1 ARG 15 7.632 3.995 0.433 111 2HH1 ARG 15 2HH1 ARG 15 8.852 5.017 1.117 112 1HH2 ARG 15 1HH2 ARG 15 10.214 2.520 3.148 113 2HH2 ARG 15 2HH2 ARG 15 10.320 4.178 2.659 114 H ALA 16 H ALA 16 5.330 -1.011 -0.754 115 HA ALA 16 HA ALA 16 5.009 -0.887 -3.642 116 1HB ALA 16 1HB ALA 16 5.310 -3.315 -3.015 117 2HB ALA 16 2HB ALA 16 3.769 -3.195 -2.167 118 3HB ALA 16 3HB ALA 16 3.843 -2.922 -3.908 119 H PHE 17 H PHE 17 2.495 -1.323 -4.050 120 HA PHE 17 HA PHE 17 1.030 0.398 -2.157 121 1HB PHE 17 1HB PHE 17 1.435 0.653 -5.014 122 2HB PHE 17 2HB PHE 17 -0.280 0.528 -4.639 123 HD1 PHE 17 HD1 PHE 17 -1.193 2.116 -2.816 124 HD2 PHE 17 HD2 PHE 17 2.524 2.678 -4.817 125 HE1 PHE 17 HE1 PHE 17 -1.233 4.500 -2.218 126 HE2 PHE 17 HE2 PHE 17 2.488 5.064 -4.222 127 HZ PHE 17 HZ PHE 17 0.606 5.978 -2.922 128 H VAL 18 H VAL 18 -0.752 -0.443 -1.292 129 HA VAL 18 HA VAL 18 -1.920 -2.833 -2.562 130 HB VAL 18 HB VAL 18 -2.742 -3.470 -0.290 131 1HG1 VAL 18 1HG1 VAL 18 -0.795 -4.523 -1.280 132 2HG1 VAL 18 2HG1 VAL 18 0.247 -3.264 -0.618 133 3HG1 VAL 18 3HG1 VAL 18 -0.599 -4.370 0.468 134 1HG2 VAL 18 1HG2 VAL 18 -0.925 -1.226 0.576 135 2HG2 VAL 18 2HG2 VAL 18 -2.660 -1.371 0.855 136 3HG2 VAL 18 3HG2 VAL 18 -1.542 -2.474 1.657 137 H THR 19 H THR 19 -4.187 -3.035 -2.513 138 HA THR 19 HA THR 19 -5.513 -0.438 -2.418 139 HB THR 19 HB THR 19 -6.381 -3.057 -3.641 140 HG1 THR 19 HG1 THR 19 -5.388 -0.624 -4.697 141 1HG2 THR 19 1HG2 THR 19 -7.734 -0.372 -3.711 142 2HG2 THR 19 2HG2 THR 19 -8.114 -1.718 -4.787 143 3HG2 THR 19 3HG2 THR 19 -8.382 -1.875 -3.052 144 H ILE 20 H ILE 20 -7.649 -0.262 -1.598 145 HA ILE 20 HA ILE 20 -8.365 -2.040 0.613 146 HB ILE 20 HB ILE 20 -8.746 0.911 0.887 147 1HG1 ILE 20 1HG1 ILE 20 -6.164 -0.482 1.627 148 2HG1 ILE 20 2HG1 ILE 20 -6.354 0.609 0.258 149 1HG2 ILE 20 1HG2 ILE 20 -8.322 -1.364 2.798 150 2HG2 ILE 20 2HG2 ILE 20 -8.349 0.327 3.295 151 3HG2 ILE 20 3HG2 ILE 20 -9.778 -0.398 2.559 152 1HD1 ILE 20 1HD1 ILE 20 -7.310 1.957 2.546 153 2HD1 ILE 20 2HD1 ILE 20 -5.759 1.226 2.961 154 3HD1 ILE 20 3HD1 ILE 20 -5.881 2.311 1.575 155 H GLY 21 H GLY 21 -10.628 -1.906 1.151 156 1HA GLY 21 1HA GLY 21 -12.841 -1.993 0.497 157 2HA GLY 21 2HA GLY 21 -12.576 -0.303 0.101 Start of MODEL 18 1 H ARG 4 H ARG 4 -11.798 4.010 -5.732 2 HA ARG 4 HA ARG 4 -12.096 2.264 -3.686 3 1HB ARG 4 1HB ARG 4 -10.232 1.159 -5.802 4 2HB ARG 4 2HB ARG 4 -10.467 0.512 -4.182 5 1HG ARG 4 1HG ARG 4 -12.850 0.073 -4.774 6 2HG ARG 4 2HG ARG 4 -12.474 0.555 -6.428 7 1HD ARG 4 1HD ARG 4 -11.145 -1.693 -4.919 8 2HD ARG 4 2HD ARG 4 -12.421 -1.888 -6.119 9 HE ARG 4 HE ARG 4 -9.646 -1.475 -6.623 10 1HH1 ARG 4 1HH1 ARG 4 -12.834 -0.825 -7.874 11 2HH1 ARG 4 2HH1 ARG 4 -12.303 -0.706 -9.519 12 1HH2 ARG 4 1HH2 ARG 4 -8.943 -1.318 -8.783 13 2HH2 ARG 4 2HH2 ARG 4 -10.092 -0.986 -10.034 14 H LYS 5 H LYS 5 -9.961 2.123 -2.472 15 HA LYS 5 HA LYS 5 -8.357 4.529 -3.054 16 1HB LYS 5 1HB LYS 5 -9.782 4.407 -0.923 17 2HB LYS 5 2HB LYS 5 -8.646 3.185 -0.375 18 1HG LYS 5 1HG LYS 5 -7.611 5.837 -1.271 19 2HG LYS 5 2HG LYS 5 -8.363 5.693 0.317 20 1HD LYS 5 1HD LYS 5 -6.092 3.941 -0.625 21 2HD LYS 5 2HD LYS 5 -5.867 5.426 0.295 22 1HE LYS 5 1HE LYS 5 -7.465 3.035 1.206 23 2HE LYS 5 2HE LYS 5 -5.823 3.412 1.716 24 1HZ LYS 5 1HZ LYS 5 -6.688 5.532 2.601 25 2HZ LYS 5 2HZ LYS 5 -8.258 5.028 2.224 26 3HZ LYS 5 3HZ LYS 5 -7.350 4.176 3.367 27 H SER 6 H SER 6 -6.103 4.394 -2.790 28 HA SER 6 HA SER 6 -4.984 1.753 -2.275 29 1HB SER 6 1HB SER 6 -4.180 3.339 -4.712 30 2HB SER 6 2HB SER 6 -3.631 1.729 -4.260 31 HG SER 6 HG SER 6 -5.374 0.909 -5.105 32 H ILE 7 H ILE 7 -3.135 1.803 -1.130 33 HA ILE 7 HA ILE 7 -1.726 4.378 -0.897 34 HB ILE 7 HB ILE 7 -1.262 3.473 1.542 35 1HG1 ILE 7 1HG1 ILE 7 -4.047 2.423 1.018 36 2HG1 ILE 7 2HG1 ILE 7 -2.612 1.412 1.145 37 1HG2 ILE 7 1HG2 ILE 7 -2.939 5.431 0.432 38 2HG2 ILE 7 2HG2 ILE 7 -3.819 4.677 1.762 39 3HG2 ILE 7 3HG2 ILE 7 -2.220 5.369 2.042 40 1HD1 ILE 7 1HD1 ILE 7 -2.287 2.171 3.442 41 2HD1 ILE 7 2HD1 ILE 7 -3.736 3.171 3.312 42 3HD1 ILE 7 3HD1 ILE 7 -3.865 1.414 3.215 43 H ARG 8 H ARG 8 0.432 4.341 -0.434 44 HA ARG 8 HA ARG 8 1.831 1.882 -1.091 45 1HB ARG 8 1HB ARG 8 3.879 3.315 -0.923 46 2HB ARG 8 2HB ARG 8 2.728 3.862 -2.130 47 1HG ARG 8 1HG ARG 8 1.989 5.647 -0.727 48 2HG ARG 8 2HG ARG 8 2.910 5.026 0.642 49 1HD ARG 8 1HD ARG 8 4.059 6.087 -1.938 50 2HD ARG 8 2HD ARG 8 4.041 6.923 -0.386 51 HE ARG 8 HE ARG 8 5.393 4.335 -0.552 52 1HH1 ARG 8 1HH1 ARG 8 5.615 7.807 -0.281 53 2HH1 ARG 8 2HH1 ARG 8 7.266 7.785 0.238 54 1HH2 ARG 8 1HH2 ARG 8 7.562 4.303 0.128 55 2HH2 ARG 8 2HH2 ARG 8 8.375 5.794 0.466 56 H ILE 9 H ILE 9 1.998 0.473 0.575 57 HA ILE 9 HA ILE 9 1.878 1.438 3.266 58 HB ILE 9 HB ILE 9 1.913 -0.823 4.013 59 1HG1 ILE 9 1HG1 ILE 9 3.810 -1.528 2.423 60 2HG1 ILE 9 2HG1 ILE 9 2.575 -2.723 2.787 61 1HG2 ILE 9 1HG2 ILE 9 0.392 -0.607 1.424 62 2HG2 ILE 9 2HG2 ILE 9 0.116 -1.838 2.657 63 3HG2 ILE 9 3HG2 ILE 9 -0.166 -0.138 3.029 64 1HD1 ILE 9 1HD1 ILE 9 1.611 -1.507 0.519 65 2HD1 ILE 9 2HD1 ILE 9 3.355 -1.555 0.258 66 3HD1 ILE 9 3HD1 ILE 9 2.474 -3.040 0.600 67 H GLN 10 H GLN 10 3.493 1.135 4.889 68 HA GLN 10 HA GLN 10 6.183 1.524 3.854 69 1HB GLN 10 1HB GLN 10 5.167 3.052 5.571 70 2HB GLN 10 2HB GLN 10 5.199 1.716 6.712 71 1HG GLN 10 1HG GLN 10 7.620 1.635 6.589 72 2HG GLN 10 2HG GLN 10 7.618 2.920 5.382 73 1HE2 GLN 10 2HE2 GLN 10 9.084 3.869 7.029 74 2HE2 GLN 10 1HE2 GLN 10 8.373 4.809 8.293 75 H ARG 11 H ARG 11 4.584 -1.138 4.285 76 HA ARG 11 HA ARG 11 6.556 -2.555 5.921 77 1HB ARG 11 1HB ARG 11 3.959 -3.557 4.733 78 2HB ARG 11 2HB ARG 11 4.997 -4.444 5.840 79 1HG ARG 11 1HG ARG 11 4.585 -2.739 7.565 80 2HG ARG 11 2HG ARG 11 3.495 -1.907 6.455 81 1HD ARG 11 1HD ARG 11 2.236 -3.292 8.007 82 2HD ARG 11 2HD ARG 11 2.073 -3.901 6.361 83 HE ARG 11 HE ARG 11 3.007 -5.852 7.066 84 1HH1 ARG 11 1HH1 ARG 11 3.953 -3.337 9.286 85 2HH1 ARG 11 2HH1 ARG 11 4.782 -4.417 10.356 86 1HH2 ARG 11 1HH2 ARG 11 4.098 -7.278 8.471 87 2HH2 ARG 11 2HH2 ARG 11 4.864 -6.652 9.894 88 H GLY 12 H GLY 12 6.987 -4.885 5.019 89 1HA GLY 12 1HA GLY 12 8.080 -4.492 2.324 90 2HA GLY 12 2HA GLY 12 8.603 -5.697 3.487 91 HA PRO 13 HA PRO 13 9.469 -6.836 1.744 92 1HB PRO 13 1HB PRO 13 9.026 -7.578 -1.056 93 2HB PRO 13 2HB PRO 13 9.915 -8.444 0.201 94 1HG PRO 13 1HG PRO 13 7.556 -9.334 -0.771 95 2HG PRO 13 2HG PRO 13 8.051 -9.597 0.911 96 1HD PRO 13 1HD PRO 13 6.159 -7.558 -0.211 97 2HD PRO 13 2HD PRO 13 6.014 -8.537 1.265 98 H GLY 14 H GLY 14 10.729 -5.170 1.131 99 1HA GLY 14 1HA GLY 14 11.321 -3.123 0.269 100 2HA GLY 14 2HA GLY 14 10.534 -3.669 -1.206 101 H ARG 15 H ARG 15 9.607 -1.714 -1.745 102 HA ARG 15 HA ARG 15 7.531 -0.740 0.106 103 1HB ARG 15 1HB ARG 15 9.335 0.785 -1.763 104 2HB ARG 15 2HB ARG 15 7.796 1.455 -1.246 105 1HG ARG 15 1HG ARG 15 9.470 2.344 0.178 106 2HG ARG 15 2HG ARG 15 8.554 1.167 1.120 107 1HD ARG 15 1HD ARG 15 10.326 -0.499 0.692 108 2HD ARG 15 2HD ARG 15 11.250 0.733 -0.164 109 HE ARG 15 HE ARG 15 10.614 1.663 2.413 110 1HH1 ARG 15 1HH1 ARG 15 12.647 -0.666 0.806 111 2HH1 ARG 15 2HH1 ARG 15 13.837 -0.685 2.065 112 1HH2 ARG 15 1HH2 ARG 15 12.172 1.641 4.073 113 2HH2 ARG 15 2HH2 ARG 15 13.566 0.625 3.924 114 H ALA 16 H ALA 16 5.503 -0.827 -0.606 115 HA ALA 16 HA ALA 16 4.924 -0.772 -3.466 116 1HB ALA 16 1HB ALA 16 5.322 -3.142 -3.044 117 2HB ALA 16 2HB ALA 16 4.142 -3.117 -1.734 118 3HB ALA 16 3HB ALA 16 3.621 -2.847 -3.397 119 H PHE 17 H PHE 17 2.354 -1.286 -3.577 120 HA PHE 17 HA PHE 17 1.049 0.118 -1.382 121 1HB PHE 17 1HB PHE 17 0.229 1.872 -2.607 122 2HB PHE 17 2HB PHE 17 1.746 1.623 -3.450 123 HD1 PHE 17 HD1 PHE 17 1.344 -0.471 -5.292 124 HD2 PHE 17 HD2 PHE 17 -1.441 2.485 -3.999 125 HE1 PHE 17 HE1 PHE 17 0.112 -0.720 -7.406 126 HE2 PHE 17 HE2 PHE 17 -2.679 2.238 -6.121 127 HZ PHE 17 HZ PHE 17 -1.902 0.634 -7.822 128 H VAL 18 H VAL 18 -1.139 -0.262 -1.148 129 HA VAL 18 HA VAL 18 -2.168 -2.561 -2.688 130 HB VAL 18 HB VAL 18 -2.979 -1.868 0.127 131 1HG1 VAL 18 1HG1 VAL 18 -3.396 -4.221 -1.668 132 2HG1 VAL 18 2HG1 VAL 18 -3.477 -4.395 0.085 133 3HG1 VAL 18 3HG1 VAL 18 -4.578 -3.294 -0.741 134 1HG2 VAL 18 1HG2 VAL 18 -0.716 -3.630 -0.779 135 2HG2 VAL 18 2HG2 VAL 18 -0.657 -2.270 0.341 136 3HG2 VAL 18 3HG2 VAL 18 -1.458 -3.766 0.816 137 H THR 19 H THR 19 -4.535 -2.656 -2.803 138 HA THR 19 HA THR 19 -5.754 0.027 -2.879 139 HB THR 19 HB THR 19 -6.302 -2.331 -4.700 140 HG1 THR 19 HG1 THR 19 -4.433 -1.463 -5.390 141 1HG2 THR 19 1HG2 THR 19 -7.437 0.454 -4.682 142 2HG2 THR 19 2HG2 THR 19 -7.526 -0.637 -6.066 143 3HG2 THR 19 3HG2 THR 19 -8.311 -1.074 -4.548 144 H ILE 20 H ILE 20 -7.200 0.194 -1.261 145 HA ILE 20 HA ILE 20 -8.829 -2.127 -0.575 146 HB ILE 20 HB ILE 20 -9.078 -0.820 1.629 147 1HG1 ILE 20 1HG1 ILE 20 -7.840 1.158 0.621 148 2HG1 ILE 20 2HG1 ILE 20 -7.374 0.670 2.245 149 1HG2 ILE 20 1HG2 ILE 20 -6.582 -2.305 0.856 150 2HG2 ILE 20 2HG2 ILE 20 -7.014 -1.915 2.521 151 3HG2 ILE 20 3HG2 ILE 20 -8.051 -2.974 1.566 152 1HD1 ILE 20 1HD1 ILE 20 -5.771 -0.703 0.299 153 2HD1 ILE 20 2HD1 ILE 20 -5.716 1.040 0.031 154 3HD1 ILE 20 3HD1 ILE 20 -5.279 0.376 1.603 155 H GLY 21 H GLY 21 -11.024 -1.758 -0.002 156 1HA GLY 21 1HA GLY 21 -13.065 -0.678 -0.054 157 2HA GLY 21 2HA GLY 21 -12.203 0.843 -0.238 Start of MODEL 19 1 H ARG 4 H ARG 4 -12.938 2.621 -3.745 2 HA ARG 4 HA ARG 4 -11.381 0.308 -3.277 3 1HB ARG 4 1HB ARG 4 -11.310 1.603 -6.012 4 2HB ARG 4 2HB ARG 4 -10.122 0.463 -5.398 5 1HG ARG 4 1HG ARG 4 -11.911 -1.245 -5.223 6 2HG ARG 4 2HG ARG 4 -13.027 -0.098 -5.971 7 1HD ARG 4 1HD ARG 4 -11.550 0.015 -7.942 8 2HD ARG 4 2HD ARG 4 -10.492 -1.182 -7.197 9 HE ARG 4 HE ARG 4 -13.181 -2.110 -7.397 10 1HH1 ARG 4 1HH1 ARG 4 -10.226 -1.649 -9.180 11 2HH1 ARG 4 2HH1 ARG 4 -10.579 -2.884 -10.342 12 1HH2 ARG 4 1HH2 ARG 4 -13.658 -3.742 -8.922 13 2HH2 ARG 4 2HH2 ARG 4 -12.531 -4.074 -10.195 14 H LYS 5 H LYS 5 -9.331 0.941 -2.696 15 HA LYS 5 HA LYS 5 -8.512 3.721 -2.992 16 1HB LYS 5 1HB LYS 5 -9.837 3.746 -0.933 17 2HB LYS 5 2HB LYS 5 -8.905 2.403 -0.296 18 1HG LYS 5 1HG LYS 5 -6.916 3.792 -0.208 19 2HG LYS 5 2HG LYS 5 -7.809 5.139 -0.922 20 1HD LYS 5 1HD LYS 5 -9.293 5.185 1.015 21 2HD LYS 5 2HD LYS 5 -8.435 3.811 1.716 22 1HE LYS 5 1HE LYS 5 -7.666 5.854 2.744 23 2HE LYS 5 2HE LYS 5 -6.376 5.161 1.763 24 1HZ LYS 5 1HZ LYS 5 -7.060 6.732 -0.023 25 2HZ LYS 5 2HZ LYS 5 -8.098 7.477 1.086 26 3HZ LYS 5 3HZ LYS 5 -6.429 7.480 1.358 27 H SER 6 H SER 6 -6.198 3.964 -2.124 28 HA SER 6 HA SER 6 -4.785 1.401 -2.031 29 1HB SER 6 1HB SER 6 -3.060 2.794 -3.597 30 2HB SER 6 2HB SER 6 -4.264 1.685 -4.233 31 HG SER 6 HG SER 6 -4.621 3.523 -5.337 32 H ILE 7 H ILE 7 -2.725 1.495 -1.034 33 HA ILE 7 HA ILE 7 -2.049 4.053 0.243 34 HB ILE 7 HB ILE 7 -1.206 2.619 2.210 35 1HG1 ILE 7 1HG1 ILE 7 -3.357 0.767 1.165 36 2HG1 ILE 7 2HG1 ILE 7 -1.627 0.438 1.106 37 1HG2 ILE 7 1HG2 ILE 7 -3.856 3.699 1.650 38 2HG2 ILE 7 2HG2 ILE 7 -3.804 2.530 2.969 39 3HG2 ILE 7 3HG2 ILE 7 -2.771 3.956 3.018 40 1HD1 ILE 7 1HD1 ILE 7 -1.612 0.659 3.609 41 2HD1 ILE 7 2HD1 ILE 7 -3.376 0.680 3.534 42 3HD1 ILE 7 3HD1 ILE 7 -2.486 -0.733 2.965 43 H ARG 8 H ARG 8 0.066 4.459 0.641 44 HA ARG 8 HA ARG 8 1.988 2.752 -0.766 45 1HB ARG 8 1HB ARG 8 1.989 5.141 -1.384 46 2HB ARG 8 2HB ARG 8 2.243 5.585 0.297 47 1HG ARG 8 1HG ARG 8 4.304 5.745 -0.977 48 2HG ARG 8 2HG ARG 8 4.425 4.502 0.270 49 1HD ARG 8 1HD ARG 8 4.004 2.771 -1.401 50 2HD ARG 8 2HD ARG 8 3.841 4.003 -2.651 51 HE ARG 8 HE ARG 8 6.254 2.890 -1.675 52 1HH1 ARG 8 1HH1 ARG 8 4.878 5.897 -2.787 53 2HH1 ARG 8 2HH1 ARG 8 6.394 6.533 -3.331 54 1HH2 ARG 8 1HH2 ARG 8 8.248 3.724 -2.391 55 2HH2 ARG 8 2HH2 ARG 8 8.307 5.299 -3.108 56 H ILE 9 H ILE 9 2.037 1.143 0.854 57 HA ILE 9 HA ILE 9 2.540 1.830 3.575 58 HB ILE 9 HB ILE 9 2.456 -0.444 4.088 59 1HG1 ILE 9 1HG1 ILE 9 4.218 -1.246 2.559 60 2HG1 ILE 9 2HG1 ILE 9 2.796 -2.277 2.494 61 1HG2 ILE 9 1HG2 ILE 9 0.418 0.611 2.898 62 2HG2 ILE 9 2HG2 ILE 9 0.812 -0.507 1.594 63 3HG2 ILE 9 3HG2 ILE 9 0.434 -1.127 3.201 64 1HD1 ILE 9 1HD1 ILE 9 2.140 -0.855 0.452 65 2HD1 ILE 9 2HD1 ILE 9 3.833 -0.367 0.455 66 3HD1 ILE 9 3HD1 ILE 9 3.406 -2.067 0.284 67 H GLN 10 H GLN 10 4.454 1.590 4.754 68 HA GLN 10 HA GLN 10 6.901 1.610 3.145 69 1HB GLN 10 1HB GLN 10 6.418 3.466 4.771 70 2HB GLN 10 2HB GLN 10 6.558 2.296 6.075 71 1HG GLN 10 1HG GLN 10 8.882 1.881 5.463 72 2HG GLN 10 2HG GLN 10 8.741 3.035 4.139 73 1HE2 GLN 10 2HE2 GLN 10 9.858 2.669 7.181 74 2HE2 GLN 10 1HE2 GLN 10 9.822 4.312 7.712 75 H ARG 11 H ARG 11 5.115 -0.674 4.424 76 HA ARG 11 HA ARG 11 7.262 -2.191 5.717 77 1HB ARG 11 1HB ARG 11 5.440 -3.775 6.337 78 2HB ARG 11 2HB ARG 11 5.194 -2.150 6.961 79 1HG ARG 11 1HG ARG 11 3.580 -1.683 5.231 80 2HG ARG 11 2HG ARG 11 3.888 -3.248 4.479 81 1HD ARG 11 1HD ARG 11 2.799 -2.858 7.265 82 2HD ARG 11 2HD ARG 11 1.816 -3.193 5.841 83 HE ARG 11 HE ARG 11 3.745 -5.186 6.002 84 1HH1 ARG 11 1HH1 ARG 11 1.021 -4.043 7.852 85 2HH1 ARG 11 2HH1 ARG 11 0.665 -5.597 8.528 86 1HH2 ARG 11 1HH2 ARG 11 3.281 -7.236 6.889 87 2HH2 ARG 11 2HH2 ARG 11 1.949 -7.410 7.981 88 H GLY 12 H GLY 12 6.793 -4.727 5.200 89 1HA GLY 12 1HA GLY 12 7.202 -4.923 2.296 90 2HA GLY 12 2HA GLY 12 7.743 -6.096 3.489 91 HA PRO 13 HA PRO 13 7.814 -7.529 1.874 92 1HB PRO 13 1HB PRO 13 6.658 -8.954 -0.339 93 2HB PRO 13 2HB PRO 13 7.449 -9.616 1.091 94 1HG PRO 13 1HG PRO 13 4.767 -9.888 0.528 95 2HG PRO 13 2HG PRO 13 5.470 -10.007 2.150 96 1HD PRO 13 1HD PRO 13 4.059 -7.705 0.857 97 2HD PRO 13 2HD PRO 13 3.978 -8.281 2.537 98 H GLY 14 H GLY 14 8.685 -5.718 0.997 99 1HA GLY 14 1HA GLY 14 9.463 -4.569 -0.901 100 2HA GLY 14 2HA GLY 14 8.088 -5.179 -1.807 101 H ARG 15 H ARG 15 9.361 -2.422 -1.066 102 HA ARG 15 HA ARG 15 7.132 -1.029 0.131 103 1HB ARG 15 1HB ARG 15 9.604 0.094 -1.192 104 2HB ARG 15 2HB ARG 15 8.476 0.968 -0.162 105 1HG ARG 15 1HG ARG 15 9.196 -1.104 1.453 106 2HG ARG 15 2HG ARG 15 10.686 -0.813 0.550 107 1HD ARG 15 1HD ARG 15 10.556 1.568 1.153 108 2HD ARG 15 2HD ARG 15 9.100 1.231 2.090 109 HE ARG 15 HE ARG 15 11.066 -0.467 3.046 110 1HH1 ARG 15 1HH1 ARG 15 10.535 2.971 2.820 111 2HH1 ARG 15 2HH1 ARG 15 11.465 3.336 4.234 112 1HH2 ARG 15 1HH2 ARG 15 12.291 0.003 4.902 113 2HH2 ARG 15 2HH2 ARG 15 12.466 1.647 5.419 114 H ALA 16 H ALA 16 5.351 -0.710 -1.048 115 HA ALA 16 HA ALA 16 5.471 0.679 -3.562 116 1HB ALA 16 1HB ALA 16 5.901 -1.795 -4.090 117 2HB ALA 16 2HB ALA 16 4.199 -2.033 -3.695 118 3HB ALA 16 3HB ALA 16 4.657 -0.957 -5.016 119 H PHE 17 H PHE 17 3.028 0.221 -4.546 120 HA PHE 17 HA PHE 17 1.308 1.285 -2.431 121 1HB PHE 17 1HB PHE 17 1.613 1.839 -5.238 122 2HB PHE 17 2HB PHE 17 -0.047 1.360 -4.911 123 HD1 PHE 17 HD1 PHE 17 -1.218 2.555 -2.917 124 HD2 PHE 17 HD2 PHE 17 2.267 4.025 -4.884 125 HE1 PHE 17 HE1 PHE 17 -1.707 4.823 -2.094 126 HE2 PHE 17 HE2 PHE 17 1.779 6.291 -4.060 127 HZ PHE 17 HZ PHE 17 -0.210 6.691 -2.664 128 H VAL 18 H VAL 18 -0.308 0.155 -1.595 129 HA VAL 18 HA VAL 18 -1.076 -2.378 -2.892 130 HB VAL 18 HB VAL 18 -1.594 -1.660 -0.012 131 1HG1 VAL 18 1HG1 VAL 18 -1.800 -4.155 -1.638 132 2HG1 VAL 18 2HG1 VAL 18 -1.531 -4.250 0.101 133 3HG1 VAL 18 3HG1 VAL 18 -2.968 -3.440 -0.522 134 1HG2 VAL 18 1HG2 VAL 18 0.907 -1.751 -0.815 135 2HG2 VAL 18 2HG2 VAL 18 0.415 -2.511 0.698 136 3HG2 VAL 18 3HG2 VAL 18 0.634 -3.490 -0.751 137 H THR 19 H THR 19 -3.392 -2.963 -2.588 138 HA THR 19 HA THR 19 -5.029 -0.551 -2.891 139 HB THR 19 HB THR 19 -5.767 -3.344 -3.722 140 HG1 THR 19 HG1 THR 19 -3.852 -1.914 -4.737 141 1HG2 THR 19 1HG2 THR 19 -6.877 -0.634 -4.321 142 2HG2 THR 19 2HG2 THR 19 -7.115 -1.991 -5.423 143 3HG2 THR 19 3HG2 THR 19 -7.718 -2.084 -3.768 144 H ILE 20 H ILE 20 -7.195 -0.611 -2.138 145 HA ILE 20 HA ILE 20 -7.772 -2.314 0.161 146 HB ILE 20 HB ILE 20 -8.203 0.670 0.277 147 1HG1 ILE 20 1HG1 ILE 20 -5.800 -0.830 1.346 148 2HG1 ILE 20 2HG1 ILE 20 -5.782 0.281 -0.021 149 1HG2 ILE 20 1HG2 ILE 20 -8.463 -1.610 2.137 150 2HG2 ILE 20 2HG2 ILE 20 -7.883 -0.090 2.811 151 3HG2 ILE 20 3HG2 ILE 20 -9.440 -0.148 1.986 152 1HD1 ILE 20 1HD1 ILE 20 -6.931 1.613 2.213 153 2HD1 ILE 20 2HD1 ILE 20 -5.418 0.857 2.710 154 3HD1 ILE 20 3HD1 ILE 20 -5.438 1.975 1.348 155 H GLY 21 H GLY 21 -10.139 -1.943 0.822 156 1HA GLY 21 1HA GLY 21 -11.839 -2.381 -1.333 157 2HA GLY 21 2HA GLY 21 -12.368 -1.903 0.271 Start of MODEL 20 1 H ARG 4 H ARG 4 -12.629 1.417 -2.236 2 HA ARG 4 HA ARG 4 -11.147 0.287 -3.809 3 1HB ARG 4 1HB ARG 4 -12.606 0.876 -5.781 4 2HB ARG 4 2HB ARG 4 -12.038 2.532 -5.635 5 1HG ARG 4 1HG ARG 4 -10.765 1.521 -7.347 6 2HG ARG 4 2HG ARG 4 -9.703 1.650 -5.944 7 1HD ARG 4 1HD ARG 4 -10.064 -0.691 -5.416 8 2HD ARG 4 2HD ARG 4 -11.224 -0.835 -6.738 9 HE ARG 4 HE ARG 4 -8.564 0.026 -7.496 10 1HH1 ARG 4 1HH1 ARG 4 -10.758 -2.659 -7.109 11 2HH1 ARG 4 2HH1 ARG 4 -9.887 -3.690 -8.194 12 1HH2 ARG 4 1HH2 ARG 4 -7.419 -1.324 -8.926 13 2HH2 ARG 4 2HH2 ARG 4 -7.990 -2.932 -9.226 14 H LYS 5 H LYS 5 -9.781 0.937 -2.181 15 HA LYS 5 HA LYS 5 -8.711 3.686 -2.373 16 1HB LYS 5 1HB LYS 5 -10.061 2.691 -0.228 17 2HB LYS 5 2HB LYS 5 -8.423 2.207 0.173 18 1HG LYS 5 1HG LYS 5 -9.284 5.029 -0.432 19 2HG LYS 5 2HG LYS 5 -9.078 4.352 1.183 20 1HD LYS 5 1HD LYS 5 -6.689 3.844 0.535 21 2HD LYS 5 2HD LYS 5 -6.967 4.813 -0.912 22 1HE LYS 5 1HE LYS 5 -7.522 6.743 0.468 23 2HE LYS 5 2HE LYS 5 -7.281 5.779 1.925 24 1HZ LYS 5 1HZ LYS 5 -4.946 5.414 1.056 25 2HZ LYS 5 2HZ LYS 5 -5.253 6.669 -0.035 26 3HZ LYS 5 3HZ LYS 5 -5.305 6.963 1.632 27 H SER 6 H SER 6 -6.414 3.852 -2.184 28 HA SER 6 HA SER 6 -4.953 1.345 -1.880 29 1HB SER 6 1HB SER 6 -4.413 3.194 -4.203 30 2HB SER 6 2HB SER 6 -3.637 1.650 -3.874 31 HG SER 6 HG SER 6 -5.265 0.659 -4.770 32 H ILE 7 H ILE 7 -2.991 1.542 -0.917 33 HA ILE 7 HA ILE 7 -2.005 4.264 -0.362 34 HB ILE 7 HB ILE 7 -1.217 3.223 1.882 35 1HG1 ILE 7 1HG1 ILE 7 -3.607 1.465 1.286 36 2HG1 ILE 7 2HG1 ILE 7 -1.930 0.927 1.341 37 1HG2 ILE 7 1HG2 ILE 7 -2.998 5.022 1.411 38 2HG2 ILE 7 2HG2 ILE 7 -4.152 3.746 1.800 39 3HG2 ILE 7 3HG2 ILE 7 -2.947 4.239 2.991 40 1HD1 ILE 7 1HD1 ILE 7 -1.846 1.633 3.717 41 2HD1 ILE 7 2HD1 ILE 7 -3.572 1.987 3.623 42 3HD1 ILE 7 3HD1 ILE 7 -2.996 0.336 3.390 43 H ARG 8 H ARG 8 0.188 4.497 -0.047 44 HA ARG 8 HA ARG 8 1.845 2.348 -1.139 45 1HB ARG 8 1HB ARG 8 2.129 4.666 -2.034 46 2HB ARG 8 2HB ARG 8 2.587 5.203 -0.423 47 1HG ARG 8 1HG ARG 8 4.522 3.690 -0.485 48 2HG ARG 8 2HG ARG 8 4.069 3.202 -2.119 49 1HD ARG 8 1HD ARG 8 5.829 4.884 -2.177 50 2HD ARG 8 2HD ARG 8 4.341 5.512 -2.882 51 HE ARG 8 HE ARG 8 4.336 7.120 -1.272 52 1HH1 ARG 8 1HH1 ARG 8 6.278 4.455 -0.137 53 2HH1 ARG 8 2HH1 ARG 8 6.764 5.263 1.316 54 1HH2 ARG 8 1HH2 ARG 8 4.973 8.186 0.637 55 2HH2 ARG 8 2HH2 ARG 8 6.022 7.380 1.756 56 H ILE 9 H ILE 9 1.879 0.932 0.598 57 HA ILE 9 HA ILE 9 2.331 1.887 3.251 58 HB ILE 9 HB ILE 9 2.190 -0.335 4.019 59 1HG1 ILE 9 1HG1 ILE 9 3.850 -1.323 2.441 60 2HG1 ILE 9 2HG1 ILE 9 2.423 -2.324 2.671 61 1HG2 ILE 9 1HG2 ILE 9 0.377 0.331 1.763 62 2HG2 ILE 9 2HG2 ILE 9 0.281 -1.286 2.455 63 3HG2 ILE 9 3HG2 ILE 9 0.030 0.127 3.480 64 1HD1 ILE 9 1HD1 ILE 9 1.583 -1.128 0.517 65 2HD1 ILE 9 2HD1 ILE 9 3.299 -0.798 0.281 66 3HD1 ILE 9 3HD1 ILE 9 2.734 -2.458 0.412 67 H GLN 10 H GLN 10 4.141 1.660 4.531 68 HA GLN 10 HA GLN 10 6.669 1.552 3.092 69 1HB GLN 10 1HB GLN 10 6.081 2.321 5.959 70 2HB GLN 10 2HB GLN 10 7.639 2.467 5.161 71 1HG GLN 10 1HG GLN 10 6.706 4.085 3.601 72 2HG GLN 10 2HG GLN 10 5.125 3.922 4.364 73 1HE2 GLN 10 2HE2 GLN 10 6.927 6.249 4.051 74 2HE2 GLN 10 1HE2 GLN 10 7.165 6.858 5.648 75 H ARG 11 H ARG 11 4.853 -0.772 4.151 76 HA ARG 11 HA ARG 11 6.851 -2.209 5.739 77 1HB ARG 11 1HB ARG 11 4.087 -3.176 5.018 78 2HB ARG 11 2HB ARG 11 5.113 -3.709 6.343 79 1HG ARG 11 1HG ARG 11 4.830 -1.567 7.457 80 2HG ARG 11 2HG ARG 11 3.845 -0.986 6.114 81 1HD ARG 11 1HD ARG 11 2.332 -1.642 7.806 82 2HD ARG 11 2HD ARG 11 2.279 -2.909 6.583 83 HE ARG 11 HE ARG 11 3.296 -3.125 9.291 84 1HH1 ARG 11 1HH1 ARG 11 3.089 -4.579 6.125 85 2HH1 ARG 11 2HH1 ARG 11 3.473 -6.168 6.694 86 1HH2 ARG 11 1HH2 ARG 11 3.793 -5.214 10.041 87 2HH2 ARG 11 2HH2 ARG 11 3.871 -6.530 8.917 88 H GLY 12 H GLY 12 6.284 -4.805 5.095 89 1HA GLY 12 1HA GLY 12 7.179 -4.966 2.286 90 2HA GLY 12 2HA GLY 12 7.723 -6.054 3.553 91 HA PRO 13 HA PRO 13 8.096 -7.519 1.931 92 1HB PRO 13 1HB PRO 13 7.721 -8.955 -0.318 93 2HB PRO 13 2HB PRO 13 7.559 -9.671 1.289 94 1HG PRO 13 1HG PRO 13 5.427 -8.714 -0.582 95 2HG PRO 13 2HG PRO 13 5.468 -10.182 0.411 96 1HD PRO 13 1HD PRO 13 4.104 -7.919 1.113 97 2HD PRO 13 2HD PRO 13 4.757 -9.075 2.292 98 H GLY 14 H GLY 14 8.900 -5.603 1.267 99 1HA GLY 14 1HA GLY 14 9.690 -4.130 -0.349 100 2HA GLY 14 2HA GLY 14 8.643 -4.905 -1.528 101 H ARG 15 H ARG 15 9.199 -2.016 -0.448 102 HA ARG 15 HA ARG 15 6.591 -1.160 0.415 103 1HB ARG 15 1HB ARG 15 9.075 0.360 -0.390 104 2HB ARG 15 2HB ARG 15 7.582 1.150 0.099 105 1HG ARG 15 1HG ARG 15 9.129 1.055 1.954 106 2HG ARG 15 2HG ARG 15 7.717 0.054 2.281 107 1HD ARG 15 1HD ARG 15 9.830 -1.016 2.962 108 2HD ARG 15 2HD ARG 15 8.951 -1.948 1.751 109 HE ARG 15 HE ARG 15 10.751 -0.318 0.395 110 1HH1 ARG 15 1HH1 ARG 15 10.846 -2.958 2.667 111 2HH1 ARG 15 2HH1 ARG 15 12.371 -3.555 2.105 112 1HH2 ARG 15 1HH2 ARG 15 12.758 -1.100 -0.352 113 2HH2 ARG 15 2HH2 ARG 15 13.457 -2.501 0.391 114 H ALA 16 H ALA 16 4.929 -0.953 -0.897 115 HA ALA 16 HA ALA 16 5.212 0.325 -3.489 116 1HB ALA 16 1HB ALA 16 5.606 -2.196 -3.755 117 2HB ALA 16 2HB ALA 16 3.880 -2.361 -3.431 118 3HB ALA 16 3HB ALA 16 4.431 -1.426 -4.821 119 H PHE 17 H PHE 17 2.836 -0.069 -4.571 120 HA PHE 17 HA PHE 17 1.033 1.169 -2.630 121 1HB PHE 17 1HB PHE 17 1.541 1.553 -5.425 122 2HB PHE 17 2HB PHE 17 -0.153 1.127 -5.206 123 HD1 PHE 17 HD1 PHE 17 -1.321 2.413 -3.188 124 HD2 PHE 17 HD2 PHE 17 2.106 3.773 -5.317 125 HE1 PHE 17 HE1 PHE 17 -1.825 4.729 -2.517 126 HE2 PHE 17 HE2 PHE 17 1.609 6.087 -4.647 127 HZ PHE 17 HZ PHE 17 -0.357 6.567 -3.245 128 H VAL 18 H VAL 18 -0.501 0.026 -1.690 129 HA VAL 18 HA VAL 18 -1.430 -2.444 -2.990 130 HB VAL 18 HB VAL 18 -2.238 -3.096 -0.696 131 1HG1 VAL 18 1HG1 VAL 18 0.715 -2.679 -1.118 132 2HG1 VAL 18 2HG1 VAL 18 0.014 -3.743 0.103 133 3HG1 VAL 18 3HG1 VAL 18 -0.245 -4.073 -1.612 134 1HG2 VAL 18 1HG2 VAL 18 -2.239 -0.829 0.267 135 2HG2 VAL 18 2HG2 VAL 18 -1.308 -1.973 1.234 136 3HG2 VAL 18 3HG2 VAL 18 -0.477 -0.818 0.193 137 H THR 19 H THR 19 -3.644 -2.886 -3.052 138 HA THR 19 HA THR 19 -5.341 -0.504 -2.672 139 HB THR 19 HB THR 19 -5.687 -2.774 -4.642 140 HG1 THR 19 HG1 THR 19 -4.247 -1.611 -5.650 141 1HG2 THR 19 1HG2 THR 19 -7.270 -0.249 -4.242 142 2HG2 THR 19 2HG2 THR 19 -7.327 -1.229 -5.709 143 3HG2 THR 19 3HG2 THR 19 -7.852 -1.913 -4.170 144 H ILE 20 H ILE 20 -7.047 -0.636 -1.391 145 HA ILE 20 HA ILE 20 -7.946 -3.204 -0.361 146 HB ILE 20 HB ILE 20 -8.580 -1.753 1.655 147 1HG1 ILE 20 1HG1 ILE 20 -6.435 -0.053 0.404 148 2HG1 ILE 20 2HG1 ILE 20 -8.126 0.392 0.590 149 1HG2 ILE 20 1HG2 ILE 20 -5.739 -2.510 1.028 150 2HG2 ILE 20 2HG2 ILE 20 -6.300 -2.051 2.637 151 3HG2 ILE 20 3HG2 ILE 20 -6.951 -3.490 1.852 152 1HD1 ILE 20 1HD1 ILE 20 -6.282 -0.205 2.877 153 2HD1 ILE 20 2HD1 ILE 20 -6.605 1.414 2.249 154 3HD1 ILE 20 3HD1 ILE 20 -7.912 0.463 2.956 155 H GLY 21 H GLY 21 -10.130 -3.485 -0.135 156 1HA GLY 21 1HA GLY 21 -12.327 -3.261 -0.811 157 2HA GLY 21 2HA GLY 21 -12.183 -1.728 0.029 Start of MODEL 21 1 H ARG 4 H ARG 4 -12.927 1.422 -2.730 2 HA ARG 4 HA ARG 4 -10.990 0.542 -3.093 3 1HB ARG 4 1HB ARG 4 -11.627 0.242 -5.481 4 2HB ARG 4 2HB ARG 4 -10.964 1.835 -5.828 5 1HG ARG 4 1HG ARG 4 -8.751 1.095 -5.190 6 2HG ARG 4 2HG ARG 4 -9.387 -0.482 -4.718 7 1HD ARG 4 1HD ARG 4 -8.364 -0.663 -6.889 8 2HD ARG 4 2HD ARG 4 -10.109 -0.843 -7.061 9 HE ARG 4 HE ARG 4 -9.519 1.840 -7.470 10 1HH1 ARG 4 1HH1 ARG 4 -8.811 -1.231 -8.958 11 2HH1 ARG 4 2HH1 ARG 4 -8.651 -0.568 -10.551 12 1HH2 ARG 4 1HH2 ARG 4 -9.306 2.721 -9.561 13 2HH2 ARG 4 2HH2 ARG 4 -8.932 1.678 -10.893 14 H LYS 5 H LYS 5 -9.106 1.170 -2.299 15 HA LYS 5 HA LYS 5 -8.102 3.879 -2.768 16 1HB LYS 5 1HB LYS 5 -9.563 3.740 -0.643 17 2HB LYS 5 2HB LYS 5 -8.281 2.736 0.020 18 1HG LYS 5 1HG LYS 5 -7.479 5.348 -1.131 19 2HG LYS 5 2HG LYS 5 -8.402 5.386 0.369 20 1HD LYS 5 1HD LYS 5 -5.931 3.698 0.013 21 2HD LYS 5 2HD LYS 5 -5.884 5.354 0.614 22 1HE LYS 5 1HE LYS 5 -7.381 4.718 2.451 23 2HE LYS 5 2HE LYS 5 -7.406 3.062 1.854 24 1HZ LYS 5 1HZ LYS 5 -4.865 4.389 2.551 25 2HZ LYS 5 2HZ LYS 5 -5.809 3.643 3.738 26 3HZ LYS 5 3HZ LYS 5 -5.201 2.734 2.449 27 H SER 6 H SER 6 -5.775 4.023 -2.171 28 HA SER 6 HA SER 6 -4.533 1.439 -1.635 29 1HB SER 6 1HB SER 6 -3.667 3.129 -3.975 30 2HB SER 6 2HB SER 6 -3.021 1.561 -3.513 31 HG SER 6 HG SER 6 -4.698 0.599 -4.404 32 H ILE 7 H ILE 7 -2.513 1.523 -0.685 33 HA ILE 7 HA ILE 7 -1.482 4.198 -0.019 34 HB ILE 7 HB ILE 7 -0.779 2.985 2.218 35 1HG1 ILE 7 1HG1 ILE 7 -3.400 1.623 1.598 36 2HG1 ILE 7 2HG1 ILE 7 -1.828 0.835 1.522 37 1HG2 ILE 7 1HG2 ILE 7 -3.312 4.395 1.557 38 2HG2 ILE 7 2HG2 ILE 7 -3.037 3.789 3.191 39 3HG2 ILE 7 3HG2 ILE 7 -1.913 4.947 2.481 40 1HD1 ILE 7 1HD1 ILE 7 -1.503 1.356 3.914 41 2HD1 ILE 7 2HD1 ILE 7 -3.143 2.005 3.957 42 3HD1 ILE 7 3HD1 ILE 7 -2.880 0.297 3.602 43 H ARG 8 H ARG 8 0.695 4.338 0.480 44 HA ARG 8 HA ARG 8 2.364 2.231 -0.682 45 1HB ARG 8 1HB ARG 8 2.771 4.517 -1.475 46 2HB ARG 8 2HB ARG 8 2.992 5.073 0.179 47 1HG ARG 8 1HG ARG 8 4.966 3.536 0.338 48 2HG ARG 8 2HG ARG 8 4.786 3.235 -1.392 49 1HD ARG 8 1HD ARG 8 5.177 5.959 -0.156 50 2HD ARG 8 2HD ARG 8 6.467 4.980 -0.844 51 HE ARG 8 HE ARG 8 5.624 5.392 -2.981 52 1HH1 ARG 8 1HH1 ARG 8 3.626 6.872 -0.534 53 2HH1 ARG 8 2HH1 ARG 8 2.811 7.910 -1.652 54 1HH2 ARG 8 1HH2 ARG 8 4.548 6.754 -4.449 55 2HH2 ARG 8 2HH2 ARG 8 3.333 7.844 -3.871 56 H ILE 9 H ILE 9 2.295 0.713 1.007 57 HA ILE 9 HA ILE 9 2.718 1.535 3.711 58 HB ILE 9 HB ILE 9 2.521 -0.716 4.371 59 1HG1 ILE 9 1HG1 ILE 9 4.177 -1.707 2.823 60 2HG1 ILE 9 2HG1 ILE 9 2.694 -2.647 2.899 61 1HG2 ILE 9 1HG2 ILE 9 0.718 0.263 2.300 62 2HG2 ILE 9 2HG2 ILE 9 0.672 -1.488 2.507 63 3HG2 ILE 9 3HG2 ILE 9 0.367 -0.430 3.883 64 1HD1 ILE 9 1HD1 ILE 9 2.008 -1.386 0.785 65 2HD1 ILE 9 2HD1 ILE 9 3.707 -0.922 0.685 66 3HD1 ILE 9 3HD1 ILE 9 3.256 -2.624 0.651 67 H GLN 10 H GLN 10 4.522 1.153 5.018 68 HA GLN 10 HA GLN 10 7.054 0.948 3.560 69 1HB GLN 10 1HB GLN 10 8.088 1.968 5.506 70 2HB GLN 10 2HB GLN 10 6.718 2.936 4.981 71 1HG GLN 10 1HG GLN 10 6.667 0.978 7.271 72 2HG GLN 10 2HG GLN 10 6.895 2.717 7.432 73 1HE2 GLN 10 2HE2 GLN 10 5.159 4.099 7.029 74 2HE2 GLN 10 1HE2 GLN 10 3.530 3.529 7.010 75 H ARG 11 H ARG 11 5.100 -1.193 4.800 76 HA ARG 11 HA ARG 11 7.085 -2.684 6.354 77 1HB ARG 11 1HB ARG 11 5.233 -4.108 7.042 78 2HB ARG 11 2HB ARG 11 4.841 -2.422 7.334 79 1HG ARG 11 1HG ARG 11 3.555 -2.424 5.199 80 2HG ARG 11 2HG ARG 11 3.832 -4.164 5.097 81 1HD ARG 11 1HD ARG 11 2.401 -2.712 7.325 82 2HD ARG 11 2HD ARG 11 1.643 -3.675 6.059 83 HE ARG 11 HE ARG 11 2.926 -4.641 8.435 84 1HH1 ARG 11 1HH1 ARG 11 2.053 -5.432 5.154 85 2HH1 ARG 11 2HH1 ARG 11 2.045 -7.141 5.433 86 1HH2 ARG 11 1HH2 ARG 11 2.920 -6.888 8.806 87 2HH2 ARG 11 2HH2 ARG 11 2.537 -7.968 7.507 88 H GLY 12 H GLY 12 6.345 -5.271 5.888 89 1HA GLY 12 1HA GLY 12 7.236 -5.598 3.116 90 2HA GLY 12 2HA GLY 12 7.377 -6.805 4.386 91 HA PRO 13 HA PRO 13 7.597 -8.079 2.538 92 1HB PRO 13 1HB PRO 13 7.074 -9.421 0.281 93 2HB PRO 13 2HB PRO 13 6.671 -10.089 1.867 94 1HG PRO 13 1HG PRO 13 4.893 -8.771 -0.144 95 2HG PRO 13 2HG PRO 13 4.576 -10.187 0.875 96 1HD PRO 13 1HD PRO 13 3.700 -7.620 1.421 97 2HD PRO 13 2HD PRO 13 3.890 -8.902 2.632 98 H GLY 14 H GLY 14 8.713 -6.271 1.939 99 1HA GLY 14 1HA GLY 14 9.769 -4.871 0.436 100 2HA GLY 14 2HA GLY 14 8.829 -5.610 -0.849 101 H ARG 15 H ARG 15 9.503 -2.735 0.069 102 HA ARG 15 HA ARG 15 7.045 -1.497 0.741 103 1HB ARG 15 1HB ARG 15 8.143 0.565 0.416 104 2HB ARG 15 2HB ARG 15 9.387 -0.527 1.004 105 1HG ARG 15 1HG ARG 15 10.483 0.536 -0.704 106 2HG ARG 15 2HG ARG 15 9.870 -0.899 -1.531 107 1HD ARG 15 1HD ARG 15 9.319 0.832 -2.987 108 2HD ARG 15 2HD ARG 15 7.827 0.560 -2.087 109 HE ARG 15 HE ARG 15 9.196 2.515 -0.709 110 1HH1 ARG 15 1HH1 ARG 15 7.850 2.122 -3.901 111 2HH1 ARG 15 2HH1 ARG 15 7.549 3.813 -4.121 112 1HH2 ARG 15 1HH2 ARG 15 8.808 4.743 -0.997 113 2HH2 ARG 15 2HH2 ARG 15 8.093 5.301 -2.472 114 H ALA 16 H ALA 16 5.364 -0.905 -0.477 115 HA ALA 16 HA ALA 16 5.519 -0.329 -3.258 116 1HB ALA 16 1HB ALA 16 5.795 -2.749 -3.428 117 2HB ALA 16 2HB ALA 16 4.301 -2.990 -2.522 118 3HB ALA 16 3HB ALA 16 4.256 -2.240 -4.116 119 H PHE 17 H PHE 17 3.083 -0.651 -4.154 120 HA PHE 17 HA PHE 17 1.439 0.834 -2.235 121 1HB PHE 17 1HB PHE 17 1.982 1.185 -5.012 122 2HB PHE 17 2HB PHE 17 0.269 0.823 -4.835 123 HD1 PHE 17 HD1 PHE 17 -0.902 2.149 -2.850 124 HD2 PHE 17 HD2 PHE 17 2.626 3.383 -4.886 125 HE1 PHE 17 HE1 PHE 17 -1.343 4.479 -2.195 126 HE2 PHE 17 HE2 PHE 17 2.191 5.714 -4.228 127 HZ PHE 17 HZ PHE 17 0.205 6.263 -2.881 128 H VAL 18 H VAL 18 -0.180 -0.182 -1.285 129 HA VAL 18 HA VAL 18 -1.278 -2.593 -2.573 130 HB VAL 18 HB VAL 18 -2.137 -3.203 -0.307 131 1HG1 VAL 18 1HG1 VAL 18 0.799 -2.950 -0.839 132 2HG1 VAL 18 2HG1 VAL 18 0.194 -3.731 0.623 133 3HG1 VAL 18 3HG1 VAL 18 -0.241 -4.370 -0.963 134 1HG2 VAL 18 1HG2 VAL 18 -0.392 -0.913 0.598 135 2HG2 VAL 18 2HG2 VAL 18 -2.150 -0.996 0.707 136 3HG2 VAL 18 3HG2 VAL 18 -1.157 -2.102 1.652 137 H THR 19 H THR 19 -3.582 -2.938 -2.366 138 HA THR 19 HA THR 19 -5.052 -0.382 -2.235 139 HB THR 19 HB THR 19 -5.595 -2.787 -3.986 140 HG1 THR 19 HG1 THR 19 -4.291 -1.840 -5.307 141 1HG2 THR 19 1HG2 THR 19 -7.660 -1.612 -3.453 142 2HG2 THR 19 2HG2 THR 19 -6.933 -0.094 -3.978 143 3HG2 THR 19 3HG2 THR 19 -7.203 -1.392 -5.140 144 H ILE 20 H ILE 20 -7.117 -0.370 -1.364 145 HA ILE 20 HA ILE 20 -7.998 -2.707 0.128 146 HB ILE 20 HB ILE 20 -9.035 -0.617 1.532 147 1HG1 ILE 20 1HG1 ILE 20 -7.502 0.884 0.194 148 2HG1 ILE 20 2HG1 ILE 20 -7.388 1.024 1.943 149 1HG2 ILE 20 1HG2 ILE 20 -6.486 -2.132 2.062 150 2HG2 ILE 20 2HG2 ILE 20 -7.374 -1.195 3.265 151 3HG2 ILE 20 3HG2 ILE 20 -8.119 -2.612 2.526 152 1HD1 ILE 20 1HD1 ILE 20 -5.520 -0.926 0.983 153 2HD1 ILE 20 2HD1 ILE 20 -5.315 0.604 0.132 154 3HD1 ILE 20 3HD1 ILE 20 -5.233 0.557 1.892 155 H GLY 21 H GLY 21 -10.376 -2.212 0.913 156 1HA GLY 21 1HA GLY 21 -12.129 -2.483 -1.125 157 2HA GLY 21 2HA GLY 21 -12.579 -1.738 0.399 Start of MODEL 22 1 H ARG 4 H ARG 4 -11.238 2.992 -7.427 2 HA ARG 4 HA ARG 4 -11.872 2.776 -4.776 3 1HB ARG 4 1HB ARG 4 -9.623 1.558 -6.403 4 2HB ARG 4 2HB ARG 4 -10.294 0.892 -4.920 5 1HG ARG 4 1HG ARG 4 -12.454 0.583 -6.032 6 2HG ARG 4 2HG ARG 4 -11.780 1.244 -7.522 7 1HD ARG 4 1HD ARG 4 -11.839 -1.213 -7.531 8 2HD ARG 4 2HD ARG 4 -10.197 -0.583 -7.658 9 HE ARG 4 HE ARG 4 -10.668 -1.026 -4.967 10 1HH1 ARG 4 1HH1 ARG 4 -10.550 -2.923 -7.891 11 2HH1 ARG 4 2HH1 ARG 4 -10.019 -4.362 -7.086 12 1HH2 ARG 4 1HH2 ARG 4 -9.964 -2.910 -3.906 13 2HH2 ARG 4 2HH2 ARG 4 -9.685 -4.354 -4.822 14 H LYS 5 H LYS 5 -10.085 2.288 -3.084 15 HA LYS 5 HA LYS 5 -8.259 4.607 -3.003 16 1HB LYS 5 1HB LYS 5 -10.207 4.141 -1.253 17 2HB LYS 5 2HB LYS 5 -9.008 3.067 -0.556 18 1HG LYS 5 1HG LYS 5 -8.452 5.970 -1.099 19 2HG LYS 5 2HG LYS 5 -9.155 5.395 0.412 20 1HD LYS 5 1HD LYS 5 -7.174 3.930 0.723 21 2HD LYS 5 2HD LYS 5 -6.469 4.631 -0.731 22 1HE LYS 5 1HE LYS 5 -7.229 6.159 1.752 23 2HE LYS 5 2HE LYS 5 -5.591 5.673 1.308 24 1HZ LYS 5 1HZ LYS 5 -5.875 6.996 -0.751 25 2HZ LYS 5 2HZ LYS 5 -7.347 7.570 -0.144 26 3HZ LYS 5 3HZ LYS 5 -5.906 7.926 0.663 27 H SER 6 H SER 6 -6.120 4.280 -2.411 28 HA SER 6 HA SER 6 -5.232 1.556 -1.837 29 1HB SER 6 1HB SER 6 -4.130 3.237 -4.108 30 2HB SER 6 2HB SER 6 -3.387 1.754 -3.513 31 HG SER 6 HG SER 6 -6.013 1.967 -4.574 32 H ILE 7 H ILE 7 -3.041 1.481 -0.942 33 HA ILE 7 HA ILE 7 -2.130 4.074 0.116 34 HB ILE 7 HB ILE 7 -1.434 2.732 2.197 35 1HG1 ILE 7 1HG1 ILE 7 -3.673 0.967 1.193 36 2HG1 ILE 7 2HG1 ILE 7 -1.972 0.515 1.257 37 1HG2 ILE 7 1HG2 ILE 7 -4.005 3.929 1.492 38 2HG2 ILE 7 2HG2 ILE 7 -4.032 2.887 2.915 39 3HG2 ILE 7 3HG2 ILE 7 -2.918 4.251 2.844 40 1HD1 ILE 7 1HD1 ILE 7 -2.027 0.803 3.705 41 2HD1 ILE 7 2HD1 ILE 7 -3.757 1.138 3.594 42 3HD1 ILE 7 3HD1 ILE 7 -3.133 -0.443 3.122 43 H ARG 8 H ARG 8 -0.010 4.325 0.564 44 HA ARG 8 HA ARG 8 1.838 2.430 -0.697 45 1HB ARG 8 1HB ARG 8 2.122 4.728 -1.431 46 2HB ARG 8 2HB ARG 8 2.137 5.306 0.227 47 1HG ARG 8 1HG ARG 8 4.366 5.345 -0.665 48 2HG ARG 8 2HG ARG 8 4.262 4.122 0.601 49 1HD ARG 8 1HD ARG 8 5.524 3.206 -1.205 50 2HD ARG 8 2HD ARG 8 3.956 2.406 -1.186 51 HE ARG 8 HE ARG 8 3.589 4.416 -2.955 52 1HH1 ARG 8 1HH1 ARG 8 6.002 1.923 -2.635 53 2HH1 ARG 8 2HH1 ARG 8 6.328 1.837 -4.333 54 1HH2 ARG 8 1HH2 ARG 8 4.018 4.307 -5.203 55 2HH2 ARG 8 2HH2 ARG 8 5.202 3.188 -5.790 56 H ILE 9 H ILE 9 1.882 0.846 0.932 57 HA ILE 9 HA ILE 9 2.163 1.592 3.670 58 HB ILE 9 HB ILE 9 2.164 -0.684 4.238 59 1HG1 ILE 9 1HG1 ILE 9 3.984 -1.451 2.771 60 2HG1 ILE 9 2HG1 ILE 9 2.595 -2.526 2.684 61 1HG2 ILE 9 1HG2 ILE 9 0.055 0.117 3.275 62 2HG2 ILE 9 2HG2 ILE 9 0.554 -0.496 1.698 63 3HG2 ILE 9 3HG2 ILE 9 0.285 -1.614 3.035 64 1HD1 ILE 9 1HD1 ILE 9 1.937 -1.281 0.590 65 2HD1 ILE 9 2HD1 ILE 9 3.532 -0.536 0.655 66 3HD1 ILE 9 3HD1 ILE 9 3.381 -2.284 0.493 67 H GLN 10 H GLN 10 3.958 1.414 5.002 68 HA GLN 10 HA GLN 10 6.520 1.674 3.662 69 1HB GLN 10 1HB GLN 10 5.763 3.264 5.452 70 2HB GLN 10 2HB GLN 10 5.882 1.946 6.607 71 1HG GLN 10 1HG GLN 10 8.274 1.768 6.179 72 2HG GLN 10 2HG GLN 10 8.163 3.064 4.990 73 1HE2 GLN 10 2HE2 GLN 10 8.485 5.070 5.677 74 2HE2 GLN 10 1HE2 GLN 10 8.494 5.577 7.328 75 H ARG 11 H ARG 11 4.895 -0.918 4.336 76 HA ARG 11 HA ARG 11 6.948 -2.381 5.815 77 1HB ARG 11 1HB ARG 11 4.234 -3.285 4.834 78 2HB ARG 11 2HB ARG 11 5.306 -4.201 5.884 79 1HG ARG 11 1HG ARG 11 5.067 -2.549 7.633 80 2HG ARG 11 2HG ARG 11 4.070 -1.544 6.580 81 1HD ARG 11 1HD ARG 11 2.675 -2.792 8.127 82 2HD ARG 11 2HD ARG 11 2.394 -3.333 6.473 83 HE ARG 11 HE ARG 11 3.613 -4.848 8.632 84 1HH1 ARG 11 1HH1 ARG 11 2.905 -4.645 5.222 85 2HH1 ARG 11 2HH1 ARG 11 3.148 -6.336 4.943 86 1HH2 ARG 11 1HH2 ARG 11 3.930 -7.074 8.265 87 2HH2 ARG 11 2HH2 ARG 11 3.728 -7.715 6.668 88 H GLY 12 H GLY 12 6.931 -4.844 4.897 89 1HA GLY 12 1HA GLY 12 7.910 -4.567 2.136 90 2HA GLY 12 2HA GLY 12 8.493 -5.745 3.299 91 HA PRO 13 HA PRO 13 9.162 -6.967 1.585 92 1HB PRO 13 1HB PRO 13 8.538 -7.979 -1.083 93 2HB PRO 13 2HB PRO 13 9.429 -8.763 0.224 94 1HG PRO 13 1HG PRO 13 6.979 -9.599 -0.571 95 2HG PRO 13 2HG PRO 13 7.538 -9.739 1.107 96 1HD PRO 13 1HD PRO 13 5.733 -7.680 -0.122 97 2HD PRO 13 2HD PRO 13 5.572 -8.532 1.432 98 H GLY 14 H GLY 14 9.759 -4.874 1.335 99 1HA GLY 14 1HA GLY 14 10.445 -3.013 0.158 100 2HA GLY 14 2HA GLY 14 9.869 -3.786 -1.311 101 H ARG 15 H ARG 15 9.588 -0.999 -0.141 102 HA ARG 15 HA ARG 15 6.899 -0.558 0.564 103 1HB ARG 15 1HB ARG 15 9.148 1.144 -0.401 104 2HB ARG 15 2HB ARG 15 7.524 1.809 -0.510 105 1HG ARG 15 1HG ARG 15 8.773 2.405 1.564 106 2HG ARG 15 2HG ARG 15 7.205 1.649 1.832 107 1HD ARG 15 1HD ARG 15 8.882 0.756 3.362 108 2HD ARG 15 2HD ARG 15 8.304 -0.493 2.261 109 HE ARG 15 HE ARG 15 10.535 0.500 1.045 110 1HH1 ARG 15 1HH1 ARG 15 9.855 -0.843 4.191 111 2HH1 ARG 15 2HH1 ARG 15 11.442 -1.510 4.388 112 1HH2 ARG 15 1HH2 ARG 15 12.623 -0.373 1.301 113 2HH2 ARG 15 2HH2 ARG 15 13.014 -1.242 2.747 114 H ALA 16 H ALA 16 5.110 -0.646 -0.592 115 HA ALA 16 HA ALA 16 5.147 -0.043 -3.444 116 1HB ALA 16 1HB ALA 16 5.534 -2.546 -3.062 117 2HB ALA 16 2HB ALA 16 3.849 -2.592 -2.542 118 3HB ALA 16 3HB ALA 16 4.253 -2.072 -4.178 119 H PHE 17 H PHE 17 2.746 -0.481 -4.261 120 HA PHE 17 HA PHE 17 1.019 0.940 -2.353 121 1HB PHE 17 1HB PHE 17 1.568 1.339 -5.157 122 2HB PHE 17 2HB PHE 17 -0.153 1.069 -4.906 123 HD1 PHE 17 HD1 PHE 17 -1.153 2.411 -2.837 124 HD2 PHE 17 HD2 PHE 17 2.340 3.490 -5.017 125 HE1 PHE 17 HE1 PHE 17 -1.416 4.744 -2.095 126 HE2 PHE 17 HE2 PHE 17 2.084 5.825 -4.277 127 HZ PHE 17 HZ PHE 17 0.204 6.453 -2.814 128 H VAL 18 H VAL 18 -0.613 -0.122 -1.502 129 HA VAL 18 HA VAL 18 -1.637 -2.524 -2.877 130 HB VAL 18 HB VAL 18 -2.158 -1.884 0.012 131 1HG1 VAL 18 1HG1 VAL 18 -2.339 -4.334 -1.697 132 2HG1 VAL 18 2HG1 VAL 18 -2.257 -4.446 0.060 133 3HG1 VAL 18 3HG1 VAL 18 -3.584 -3.573 -0.706 134 1HG2 VAL 18 1HG2 VAL 18 0.306 -3.085 -1.180 135 2HG2 VAL 18 2HG2 VAL 18 0.147 -1.936 0.147 136 3HG2 VAL 18 3HG2 VAL 18 -0.259 -3.633 0.398 137 H THR 19 H THR 19 -3.990 -2.844 -2.704 138 HA THR 19 HA THR 19 -5.365 -0.253 -2.720 139 HB THR 19 HB THR 19 -6.016 -2.818 -4.161 140 HG1 THR 19 HG1 THR 19 -5.157 -0.237 -4.942 141 1HG2 THR 19 1HG2 THR 19 -7.606 -0.272 -4.020 142 2HG2 THR 19 2HG2 THR 19 -7.808 -1.495 -5.274 143 3HG2 THR 19 3HG2 THR 19 -8.137 -1.898 -3.590 144 H ILE 20 H ILE 20 -7.469 -0.093 -1.935 145 HA ILE 20 HA ILE 20 -8.201 -2.020 0.160 146 HB ILE 20 HB ILE 20 -8.737 0.942 0.356 147 1HG1 ILE 20 1HG1 ILE 20 -6.282 -0.497 1.393 148 2HG1 ILE 20 2HG1 ILE 20 -6.301 0.653 0.061 149 1HG2 ILE 20 1HG2 ILE 20 -8.862 -1.397 2.183 150 2HG2 ILE 20 2HG2 ILE 20 -8.428 0.168 2.867 151 3HG2 ILE 20 3HG2 ILE 20 -9.959 -0.025 2.019 152 1HD1 ILE 20 1HD1 ILE 20 -7.498 1.976 2.210 153 2HD1 ILE 20 2HD1 ILE 20 -6.104 1.128 2.878 154 3HD1 ILE 20 3HD1 ILE 20 -5.892 2.248 1.532 155 H GLY 21 H GLY 21 -10.596 -1.603 0.808 156 1HA GLY 21 1HA GLY 21 -12.190 -1.933 -1.526 157 2HA GLY 21 2HA GLY 21 -12.782 -1.827 0.126 Start of MODEL 23 1 H ARG 4 H ARG 4 -13.766 1.997 -4.323 2 HA ARG 4 HA ARG 4 -11.736 0.844 -2.937 3 1HB ARG 4 1HB ARG 4 -12.339 0.537 -5.316 4 2HB ARG 4 2HB ARG 4 -11.731 2.153 -5.668 5 1HG ARG 4 1HG ARG 4 -9.494 1.414 -4.833 6 2HG ARG 4 2HG ARG 4 -10.144 -0.220 -4.706 7 1HD ARG 4 1HD ARG 4 -10.560 -0.268 -7.097 8 2HD ARG 4 2HD ARG 4 -10.007 1.403 -7.249 9 HE ARG 4 HE ARG 4 -7.964 -0.043 -6.041 10 1HH1 ARG 4 1HH1 ARG 4 -9.619 -0.001 -9.111 11 2HH1 ARG 4 2HH1 ARG 4 -8.233 -0.533 -10.002 12 1HH2 ARG 4 1HH2 ARG 4 -6.157 -0.746 -7.191 13 2HH2 ARG 4 2HH2 ARG 4 -6.257 -0.955 -8.908 14 H LYS 5 H LYS 5 -9.694 1.384 -2.387 15 HA LYS 5 HA LYS 5 -8.648 4.063 -2.796 16 1HB LYS 5 1HB LYS 5 -9.988 4.213 -0.679 17 2HB LYS 5 2HB LYS 5 -9.000 2.927 -0.006 18 1HG LYS 5 1HG LYS 5 -7.011 4.366 -0.224 19 2HG LYS 5 2HG LYS 5 -8.047 5.665 -0.826 20 1HD LYS 5 1HD LYS 5 -9.275 5.684 1.281 21 2HD LYS 5 2HD LYS 5 -8.299 4.340 1.877 22 1HE LYS 5 1HE LYS 5 -6.296 5.726 1.743 23 2HE LYS 5 2HE LYS 5 -7.254 7.067 1.119 24 1HZ LYS 5 1HZ LYS 5 -8.569 6.816 3.279 25 2HZ LYS 5 2HZ LYS 5 -7.255 5.905 3.834 26 3HZ LYS 5 3HZ LYS 5 -7.032 7.516 3.371 27 H SER 6 H SER 6 -6.295 4.078 -2.204 28 HA SER 6 HA SER 6 -5.191 1.422 -1.692 29 1HB SER 6 1HB SER 6 -4.312 3.077 -4.071 30 2HB SER 6 2HB SER 6 -3.663 1.511 -3.586 31 HG SER 6 HG SER 6 -5.313 0.550 -4.499 32 H ILE 7 H ILE 7 -3.089 1.434 -0.801 33 HA ILE 7 HA ILE 7 -2.001 4.093 -0.189 34 HB ILE 7 HB ILE 7 -1.291 3.009 2.060 35 1HG1 ILE 7 1HG1 ILE 7 -3.793 1.418 1.474 36 2HG1 ILE 7 2HG1 ILE 7 -2.161 0.756 1.446 37 1HG2 ILE 7 1HG2 ILE 7 -3.519 4.579 1.256 38 2HG2 ILE 7 2HG2 ILE 7 -3.989 3.543 2.606 39 3HG2 ILE 7 3HG2 ILE 7 -2.598 4.617 2.761 40 1HD1 ILE 7 1HD1 ILE 7 -3.435 2.022 3.861 41 2HD1 ILE 7 2HD1 ILE 7 -3.413 0.289 3.530 42 3HD1 ILE 7 3HD1 ILE 7 -1.898 1.157 3.790 43 H ARG 8 H ARG 8 0.138 4.305 0.108 44 HA ARG 8 HA ARG 8 1.826 2.174 -0.946 45 1HB ARG 8 1HB ARG 8 2.109 4.504 -1.772 46 2HB ARG 8 2HB ARG 8 2.516 5.010 -0.139 47 1HG ARG 8 1HG ARG 8 4.517 3.686 -0.166 48 2HG ARG 8 2HG ARG 8 4.085 2.990 -1.729 49 1HD ARG 8 1HD ARG 8 4.790 5.862 -1.132 50 2HD ARG 8 2HD ARG 8 5.724 4.707 -2.082 51 HE ARG 8 HE ARG 8 3.219 4.935 -3.273 52 1HH1 ARG 8 1HH1 ARG 8 6.002 6.947 -2.664 53 2HH1 ARG 8 2HH1 ARG 8 5.745 7.942 -4.058 54 1HH2 ARG 8 1HH2 ARG 8 2.874 6.245 -5.104 55 2HH2 ARG 8 2HH2 ARG 8 3.968 7.543 -5.444 56 H ILE 9 H ILE 9 1.959 0.680 0.708 57 HA ILE 9 HA ILE 9 2.314 1.539 3.407 58 HB ILE 9 HB ILE 9 2.281 -0.709 4.072 59 1HG1 ILE 9 1HG1 ILE 9 4.084 -1.504 2.526 60 2HG1 ILE 9 2HG1 ILE 9 2.745 -2.628 2.699 61 1HG2 ILE 9 1HG2 ILE 9 0.172 0.078 3.100 62 2HG2 ILE 9 2HG2 ILE 9 0.638 -0.617 1.547 63 3HG2 ILE 9 3HG2 ILE 9 0.370 -1.667 2.939 64 1HD1 ILE 9 1HD1 ILE 9 1.903 -1.365 0.529 65 2HD1 ILE 9 2HD1 ILE 9 3.633 -1.083 0.351 66 3HD1 ILE 9 3HD1 ILE 9 3.018 -2.728 0.465 67 H GLN 10 H GLN 10 4.183 1.506 4.634 68 HA GLN 10 HA GLN 10 6.675 1.536 3.121 69 1HB GLN 10 1HB GLN 10 6.042 3.442 4.605 70 2HB GLN 10 2HB GLN 10 6.176 2.366 5.987 71 1HG GLN 10 1HG GLN 10 8.525 2.092 5.632 72 2HG GLN 10 2HG GLN 10 8.444 2.971 4.105 73 1HE2 GLN 10 2HE2 GLN 10 7.365 5.216 4.411 74 2HE2 GLN 10 1HE2 GLN 10 7.990 6.148 5.723 75 H ARG 11 H ARG 11 5.087 -0.880 4.360 76 HA ARG 11 HA ARG 11 7.300 -2.062 5.875 77 1HB ARG 11 1HB ARG 11 5.756 -3.723 6.635 78 2HB ARG 11 2HB ARG 11 4.966 -2.161 6.792 79 1HG ARG 11 1HG ARG 11 3.766 -2.600 4.676 80 2HG ARG 11 2HG ARG 11 4.501 -4.204 4.628 81 1HD ARG 11 1HD ARG 11 3.488 -4.604 6.906 82 2HD ARG 11 2HD ARG 11 2.586 -3.107 6.679 83 HE ARG 11 HE ARG 11 1.212 -4.187 5.189 84 1HH1 ARG 11 1HH1 ARG 11 4.002 -6.169 5.849 85 2HH1 ARG 11 2HH1 ARG 11 3.354 -7.570 5.065 86 1HH2 ARG 11 1HH2 ARG 11 0.351 -6.029 4.156 87 2HH2 ARG 11 2HH2 ARG 11 1.278 -7.490 4.103 88 H GLY 12 H GLY 12 6.993 -4.724 5.360 89 1HA GLY 12 1HA GLY 12 7.942 -4.846 2.590 90 2HA GLY 12 2HA GLY 12 8.276 -6.033 3.840 91 HA PRO 13 HA PRO 13 8.728 -7.390 2.074 92 1HB PRO 13 1HB PRO 13 8.457 -8.531 -0.358 93 2HB PRO 13 2HB PRO 13 8.139 -9.414 1.140 94 1HG PRO 13 1HG PRO 13 6.206 -8.126 -0.749 95 2HG PRO 13 2HG PRO 13 6.096 -9.698 0.064 96 1HD PRO 13 1HD PRO 13 4.791 -7.467 0.936 97 2HD PRO 13 2HD PRO 13 5.315 -8.772 2.016 98 H GLY 14 H GLY 14 9.691 -5.459 1.706 99 1HA GLY 14 1HA GLY 14 10.619 -3.759 0.457 100 2HA GLY 14 2HA GLY 14 9.908 -4.496 -0.971 101 H ARG 15 H ARG 15 10.059 -1.687 -0.446 102 HA ARG 15 HA ARG 15 7.574 -0.702 0.512 103 1HB ARG 15 1HB ARG 15 9.883 0.464 -0.979 104 2HB ARG 15 2HB ARG 15 8.366 1.350 -0.981 105 1HG ARG 15 1HG ARG 15 9.860 2.122 0.784 106 2HG ARG 15 2HG ARG 15 8.376 1.436 1.444 107 1HD ARG 15 1HD ARG 15 9.572 -0.665 1.902 108 2HD ARG 15 2HD ARG 15 11.056 0.054 1.274 109 HE ARG 15 HE ARG 15 10.065 1.717 3.289 110 1HH1 ARG 15 1HH1 ARG 15 11.430 -1.471 2.932 111 2HH1 ARG 15 2HH1 ARG 15 12.092 -1.505 4.532 112 1HH2 ARG 15 1HH2 ARG 15 10.926 1.673 5.397 113 2HH2 ARG 15 2HH2 ARG 15 11.804 0.279 5.931 114 H ALA 16 H ALA 16 5.692 -0.356 -0.472 115 HA ALA 16 HA ALA 16 5.323 -0.147 -3.293 116 1HB ALA 16 1HB ALA 16 5.735 -2.678 -2.782 117 2HB ALA 16 2HB ALA 16 4.073 -2.627 -2.196 118 3HB ALA 16 3HB ALA 16 4.431 -2.196 -3.868 119 H PHE 17 H PHE 17 2.719 -0.982 -3.468 120 HA PHE 17 HA PHE 17 1.321 0.291 -1.256 121 1HB PHE 17 1HB PHE 17 0.495 2.076 -2.374 122 2HB PHE 17 2HB PHE 17 1.898 1.838 -3.400 123 HD1 PHE 17 HD1 PHE 17 1.342 -0.114 -5.280 124 HD2 PHE 17 HD2 PHE 17 -1.405 2.600 -3.468 125 HE1 PHE 17 HE1 PHE 17 -0.139 -0.319 -7.234 126 HE2 PHE 17 HE2 PHE 17 -2.884 2.397 -5.436 127 HZ PHE 17 HZ PHE 17 -2.252 0.938 -7.312 128 H VAL 18 H VAL 18 -0.624 -0.518 -0.814 129 HA VAL 18 HA VAL 18 -1.564 -2.737 -2.511 130 HB VAL 18 HB VAL 18 -2.299 -2.347 0.381 131 1HG1 VAL 18 1HG1 VAL 18 -2.505 -4.566 -1.597 132 2HG1 VAL 18 2HG1 VAL 18 -2.361 -4.949 0.118 133 3HG1 VAL 18 3HG1 VAL 18 -3.702 -3.956 -0.451 134 1HG2 VAL 18 1HG2 VAL 18 0.215 -3.517 -0.743 135 2HG2 VAL 18 2HG2 VAL 18 -0.004 -2.459 0.652 136 3HG2 VAL 18 3HG2 VAL 18 -0.469 -4.157 0.752 137 H THR 19 H THR 19 -3.962 -3.084 -2.438 138 HA THR 19 HA THR 19 -5.314 -0.479 -2.440 139 HB THR 19 HB THR 19 -5.898 -2.970 -4.030 140 HG1 THR 19 HG1 THR 19 -4.534 -1.958 -5.276 141 1HG2 THR 19 1HG2 THR 19 -8.001 -1.853 -3.380 142 2HG2 THR 19 2HG2 THR 19 -7.401 -0.365 -4.112 143 3HG2 THR 19 3HG2 THR 19 -7.685 -1.790 -5.114 144 H ILE 20 H ILE 20 -6.941 -0.108 -1.236 145 HA ILE 20 HA ILE 20 -8.004 -2.127 0.589 146 HB ILE 20 HB ILE 20 -8.553 0.826 0.746 147 1HG1 ILE 20 1HG1 ILE 20 -6.065 -0.502 1.848 148 2HG1 ILE 20 2HG1 ILE 20 -6.096 0.559 0.444 149 1HG2 ILE 20 1HG2 ILE 20 -8.613 -1.489 2.604 150 2HG2 ILE 20 2HG2 ILE 20 -8.210 0.094 3.264 151 3HG2 ILE 20 3HG2 ILE 20 -9.741 -0.142 2.427 152 1HD1 ILE 20 1HD1 ILE 20 -7.354 1.833 2.689 153 2HD1 ILE 20 2HD1 ILE 20 -5.732 1.282 3.105 154 3HD1 ILE 20 3HD1 ILE 20 -5.972 2.354 1.725 155 H GLY 21 H GLY 21 -10.423 -1.569 1.155 156 1HA GLY 21 1HA GLY 21 -12.002 -2.029 -1.132 157 2HA GLY 21 2HA GLY 21 -12.612 -1.603 0.459 Start of MODEL 24 1 H ARG 4 H ARG 4 -13.225 2.010 -4.775 2 HA ARG 4 HA ARG 4 -11.323 0.651 -3.151 3 1HB ARG 4 1HB ARG 4 -11.412 1.593 -6.024 4 2HB ARG 4 2HB ARG 4 -10.162 0.557 -5.349 5 1HG ARG 4 1HG ARG 4 -12.012 -1.066 -4.750 6 2HG ARG 4 2HG ARG 4 -13.073 -0.082 -5.758 7 1HD ARG 4 1HD ARG 4 -10.568 -1.525 -6.623 8 2HD ARG 4 2HD ARG 4 -12.228 -1.938 -7.047 9 HE ARG 4 HE ARG 4 -11.817 0.656 -7.922 10 1HH1 ARG 4 1HH1 ARG 4 -10.484 -2.506 -8.549 11 2HH1 ARG 4 2HH1 ARG 4 -10.058 -2.145 -10.188 12 1HH2 ARG 4 1HH2 ARG 4 -11.254 1.139 -10.087 13 2HH2 ARG 4 2HH2 ARG 4 -10.494 -0.076 -11.060 14 H LYS 5 H LYS 5 -9.386 1.289 -2.519 15 HA LYS 5 HA LYS 5 -8.333 3.938 -3.173 16 1HB LYS 5 1HB LYS 5 -9.689 4.214 -1.116 17 2HB LYS 5 2HB LYS 5 -8.774 2.922 -0.353 18 1HG LYS 5 1HG LYS 5 -6.761 4.268 -0.412 19 2HG LYS 5 2HG LYS 5 -7.617 5.550 -1.277 20 1HD LYS 5 1HD LYS 5 -9.105 5.854 0.630 21 2HD LYS 5 2HD LYS 5 -8.299 4.542 1.487 22 1HE LYS 5 1HE LYS 5 -6.221 5.817 1.508 23 2HE LYS 5 2HE LYS 5 -7.000 7.122 0.612 24 1HZ LYS 5 1HZ LYS 5 -8.596 6.627 2.817 25 2HZ LYS 5 2HZ LYS 5 -7.006 6.632 3.397 26 3HZ LYS 5 3HZ LYS 5 -7.600 7.971 2.554 27 H SER 6 H SER 6 -5.983 4.052 -2.325 28 HA SER 6 HA SER 6 -4.878 1.392 -1.851 29 1HB SER 6 1HB SER 6 -3.816 3.171 -4.059 30 2HB SER 6 2HB SER 6 -3.212 1.579 -3.612 31 HG SER 6 HG SER 6 -4.882 0.649 -4.585 32 H ILE 7 H ILE 7 -2.881 1.381 -0.797 33 HA ILE 7 HA ILE 7 -1.879 4.001 0.103 34 HB ILE 7 HB ILE 7 -1.301 2.771 2.287 35 1HG1 ILE 7 1HG1 ILE 7 -3.577 1.025 1.330 36 2HG1 ILE 7 2HG1 ILE 7 -1.897 0.524 1.483 37 1HG2 ILE 7 1HG2 ILE 7 -3.683 4.149 1.448 38 2HG2 ILE 7 2HG2 ILE 7 -4.006 3.042 2.785 39 3HG2 ILE 7 3HG2 ILE 7 -2.756 4.276 2.944 40 1HD1 ILE 7 1HD1 ILE 7 -3.612 1.462 3.770 41 2HD1 ILE 7 2HD1 ILE 7 -3.320 -0.226 3.347 42 3HD1 ILE 7 3HD1 ILE 7 -1.981 0.796 3.866 43 H ARG 8 H ARG 8 0.274 4.156 0.565 44 HA ARG 8 HA ARG 8 1.975 2.090 -0.602 45 1HB ARG 8 1HB ARG 8 2.372 4.490 -1.179 46 2HB ARG 8 2HB ARG 8 2.695 4.817 0.517 47 1HG ARG 8 1HG ARG 8 4.596 3.236 0.417 48 2HG ARG 8 2HG ARG 8 4.298 3.041 -1.311 49 1HD ARG 8 1HD ARG 8 4.673 5.436 -1.644 50 2HD ARG 8 2HD ARG 8 4.971 5.631 0.083 51 HE ARG 8 HE ARG 8 6.691 3.685 -1.102 52 1HH1 ARG 8 1HH1 ARG 8 6.214 7.104 -0.622 53 2HH1 ARG 8 2HH1 ARG 8 7.892 7.492 -0.793 54 1HH2 ARG 8 1HH2 ARG 8 8.899 4.188 -1.329 55 2HH2 ARG 8 2HH2 ARG 8 9.419 5.835 -1.197 56 H ILE 9 H ILE 9 2.097 0.455 0.894 57 HA ILE 9 HA ILE 9 2.095 1.041 3.683 58 HB ILE 9 HB ILE 9 2.203 -1.288 4.120 59 1HG1 ILE 9 1HG1 ILE 9 4.064 -1.813 2.507 60 2HG1 ILE 9 2HG1 ILE 9 2.770 -3.002 2.545 61 1HG2 ILE 9 1HG2 ILE 9 0.487 -0.421 1.862 62 2HG2 ILE 9 2HG2 ILE 9 0.503 -2.134 2.284 63 3HG2 ILE 9 3HG2 ILE 9 0.051 -0.931 3.493 64 1HD1 ILE 9 1HD1 ILE 9 1.879 -1.557 0.520 65 2HD1 ILE 9 2HD1 ILE 9 3.592 -1.158 0.391 66 3HD1 ILE 9 3HD1 ILE 9 3.072 -2.838 0.315 67 H GLN 10 H GLN 10 3.695 0.606 5.201 68 HA GLN 10 HA GLN 10 6.409 1.091 4.250 69 1HB GLN 10 1HB GLN 10 5.316 1.104 7.073 70 2HB GLN 10 2HB GLN 10 6.896 1.685 6.564 71 1HG GLN 10 1HG GLN 10 5.924 3.496 5.355 72 2HG GLN 10 2HG GLN 10 4.300 2.850 5.585 73 1HE2 GLN 10 2HE2 GLN 10 3.595 4.755 6.549 74 2HE2 GLN 10 1HE2 GLN 10 4.058 5.201 8.152 75 H ARG 11 H ARG 11 4.766 -1.568 4.455 76 HA ARG 11 HA ARG 11 6.636 -3.134 6.073 77 1HB ARG 11 1HB ARG 11 4.086 -3.997 4.693 78 2HB ARG 11 2HB ARG 11 5.034 -4.962 5.817 79 1HG ARG 11 1HG ARG 11 4.525 -3.415 7.616 80 2HG ARG 11 2HG ARG 11 3.632 -2.384 6.499 81 1HD ARG 11 1HD ARG 11 2.057 -4.219 6.077 82 2HD ARG 11 2HD ARG 11 2.945 -5.235 7.213 83 HE ARG 11 HE ARG 11 2.153 -2.829 8.466 84 1HH1 ARG 11 1HH1 ARG 11 0.868 -5.857 7.316 85 2HH1 ARG 11 2HH1 ARG 11 -0.447 -5.874 8.444 86 1HH2 ARG 11 1HH2 ARG 11 0.426 -2.843 9.951 87 2HH2 ARG 11 2HH2 ARG 11 -0.698 -4.160 9.941 88 H GLY 12 H GLY 12 6.979 -5.443 5.047 89 1HA GLY 12 1HA GLY 12 8.150 -4.960 2.391 90 2HA GLY 12 2HA GLY 12 8.694 -6.172 3.539 91 HA PRO 13 HA PRO 13 9.581 -7.265 1.843 92 1HB PRO 13 1HB PRO 13 9.300 -8.202 -0.899 93 2HB PRO 13 2HB PRO 13 10.058 -9.009 0.474 94 1HG PRO 13 1HG PRO 13 7.738 -9.866 -0.664 95 2HG PRO 13 2HG PRO 13 8.137 -10.125 1.044 96 1HD PRO 13 1HD PRO 13 6.347 -8.064 -0.197 97 2HD PRO 13 2HD PRO 13 6.116 -9.011 1.291 98 H GLY 14 H GLY 14 10.107 -5.149 1.703 99 1HA GLY 14 1HA GLY 14 10.786 -3.213 0.652 100 2HA GLY 14 2HA GLY 14 10.360 -3.951 -0.886 101 H ARG 15 H ARG 15 9.867 -1.212 0.134 102 HA ARG 15 HA ARG 15 7.183 -0.871 0.832 103 1HB ARG 15 1HB ARG 15 7.535 1.462 -0.252 104 2HB ARG 15 2HB ARG 15 8.449 1.033 1.185 105 1HG ARG 15 1HG ARG 15 9.752 2.189 -0.609 106 2HG ARG 15 2HG ARG 15 10.424 0.650 -0.074 107 1HD ARG 15 1HD ARG 15 9.549 -0.465 -2.009 108 2HD ARG 15 2HD ARG 15 8.682 0.983 -2.510 109 HE ARG 15 HE ARG 15 10.626 1.796 -3.411 110 1HH1 ARG 15 1HH1 ARG 15 11.381 -0.894 -1.326 111 2HH1 ARG 15 2HH1 ARG 15 13.043 -0.964 -1.808 112 1HH2 ARG 15 1HH2 ARG 15 12.807 1.708 -4.050 113 2HH2 ARG 15 2HH2 ARG 15 13.855 0.516 -3.356 114 H ALA 16 H ALA 16 5.326 -0.404 -0.355 115 HA ALA 16 HA ALA 16 5.329 -0.329 -3.218 116 1HB ALA 16 1HB ALA 16 5.696 -2.776 -2.691 117 2HB ALA 16 2HB ALA 16 4.064 -2.782 -2.022 118 3HB ALA 16 3HB ALA 16 4.318 -2.401 -3.725 119 H PHE 17 H PHE 17 2.891 -0.852 -3.931 120 HA PHE 17 HA PHE 17 1.180 0.710 -2.107 121 1HB PHE 17 1HB PHE 17 1.826 1.104 -4.896 122 2HB PHE 17 2HB PHE 17 0.094 0.878 -4.696 123 HD1 PHE 17 HD1 PHE 17 -1.055 2.307 -2.880 124 HD2 PHE 17 HD2 PHE 17 2.768 3.188 -4.531 125 HE1 PHE 17 HE1 PHE 17 -1.295 4.650 -2.170 126 HE2 PHE 17 HE2 PHE 17 2.535 5.534 -3.823 127 HZ PHE 17 HZ PHE 17 0.502 6.268 -2.641 128 H VAL 18 H VAL 18 -0.536 -0.302 -1.343 129 HA VAL 18 HA VAL 18 -1.565 -2.646 -2.808 130 HB VAL 18 HB VAL 18 -2.502 -3.421 -0.637 131 1HG1 VAL 18 1HG1 VAL 18 0.478 -3.055 -0.847 132 2HG1 VAL 18 2HG1 VAL 18 -0.301 -4.111 0.333 133 3HG1 VAL 18 3HG1 VAL 18 -0.491 -4.425 -1.392 134 1HG2 VAL 18 1HG2 VAL 18 -0.877 -1.138 0.476 135 2HG2 VAL 18 2HG2 VAL 18 -2.624 -1.349 0.576 136 3HG2 VAL 18 3HG2 VAL 18 -1.553 -2.449 1.442 137 H THR 19 H THR 19 -3.867 -2.975 -2.747 138 HA THR 19 HA THR 19 -5.281 -0.408 -2.711 139 HB THR 19 HB THR 19 -6.116 -3.027 -3.965 140 HG1 THR 19 HG1 THR 19 -4.795 -2.442 -5.476 141 1HG2 THR 19 1HG2 THR 19 -7.266 -0.258 -4.169 142 2HG2 THR 19 2HG2 THR 19 -7.621 -1.557 -5.308 143 3HG2 THR 19 3HG2 THR 19 -8.074 -1.725 -3.613 144 H ILE 20 H ILE 20 -7.477 -0.353 -1.948 145 HA ILE 20 HA ILE 20 -8.217 -2.263 0.126 146 HB ILE 20 HB ILE 20 -8.608 0.595 0.800 147 1HG1 ILE 20 1HG1 ILE 20 -5.884 -0.696 1.088 148 2HG1 ILE 20 2HG1 ILE 20 -6.280 0.545 -0.096 149 1HG2 ILE 20 1HG2 ILE 20 -7.812 -1.877 2.315 150 2HG2 ILE 20 2HG2 ILE 20 -7.935 -0.279 3.047 151 3HG2 ILE 20 3HG2 ILE 20 -9.365 -1.039 2.350 152 1HD1 ILE 20 1HD1 ILE 20 -7.094 1.641 2.302 153 2HD1 ILE 20 2HD1 ILE 20 -5.591 0.805 2.696 154 3HD1 ILE 20 3HD1 ILE 20 -5.617 2.019 1.416 155 H GLY 21 H GLY 21 -10.464 -2.148 0.688 156 1HA GLY 21 1HA GLY 21 -12.677 -2.155 0.016 157 2HA GLY 21 2HA GLY 21 -12.412 -0.421 -0.021 Start of MODEL 25 1 H ARG 4 H ARG 4 -12.340 4.166 -5.419 2 HA ARG 4 HA ARG 4 -11.437 2.356 -4.568 3 1HB ARG 4 1HB ARG 4 -11.379 1.148 -6.658 4 2HB ARG 4 2HB ARG 4 -10.008 2.091 -7.223 5 1HG ARG 4 1HG ARG 4 -8.510 0.988 -5.812 6 2HG ARG 4 2HG ARG 4 -9.800 0.367 -4.775 7 1HD ARG 4 1HD ARG 4 -9.446 -0.425 -7.663 8 2HD ARG 4 2HD ARG 4 -8.760 -1.328 -6.315 9 HE ARG 4 HE ARG 4 -11.410 -1.101 -5.703 10 1HH1 ARG 4 1HH1 ARG 4 -9.626 -2.360 -8.427 11 2HH1 ARG 4 2HH1 ARG 4 -10.830 -3.539 -8.828 12 1HH2 ARG 4 1HH2 ARG 4 -12.985 -2.652 -6.221 13 2HH2 ARG 4 2HH2 ARG 4 -12.740 -3.703 -7.576 14 H LYS 5 H LYS 5 -10.031 2.671 -2.958 15 HA LYS 5 HA LYS 5 -7.838 4.564 -3.370 16 1HB LYS 5 1HB LYS 5 -9.659 4.090 -1.227 17 2HB LYS 5 2HB LYS 5 -8.034 3.750 -0.648 18 1HG LYS 5 1HG LYS 5 -7.369 6.009 -1.596 19 2HG LYS 5 2HG LYS 5 -9.093 6.319 -1.798 20 1HD LYS 5 1HD LYS 5 -8.310 7.278 0.287 21 2HD LYS 5 2HD LYS 5 -9.424 5.951 0.613 22 1HE LYS 5 1HE LYS 5 -7.471 5.908 2.108 23 2HE LYS 5 2HE LYS 5 -7.557 4.468 1.100 24 1HZ LYS 5 1HZ LYS 5 -6.024 6.055 -0.402 25 2HZ LYS 5 2HZ LYS 5 -5.577 6.585 1.137 26 3HZ LYS 5 3HZ LYS 5 -5.409 4.954 0.725 27 H SER 6 H SER 6 -5.757 4.163 -2.611 28 HA SER 6 HA SER 6 -5.069 1.433 -1.896 29 1HB SER 6 1HB SER 6 -3.739 2.888 -4.204 30 2HB SER 6 2HB SER 6 -3.309 1.288 -3.605 31 HG SER 6 HG SER 6 -5.026 0.445 -4.573 32 H ILE 7 H ILE 7 -2.885 1.292 -0.967 33 HA ILE 7 HA ILE 7 -1.878 3.897 -0.028 34 HB ILE 7 HB ILE 7 -1.192 2.602 2.077 35 1HG1 ILE 7 1HG1 ILE 7 -3.461 0.831 1.152 36 2HG1 ILE 7 2HG1 ILE 7 -1.764 0.367 1.194 37 1HG2 ILE 7 1HG2 ILE 7 -3.482 4.096 1.434 38 2HG2 ILE 7 2HG2 ILE 7 -4.001 2.779 2.486 39 3HG2 ILE 7 3HG2 ILE 7 -2.717 3.869 3.009 40 1HD1 ILE 7 1HD1 ILE 7 -3.419 1.140 3.583 41 2HD1 ILE 7 2HD1 ILE 7 -3.013 -0.506 3.098 42 3HD1 ILE 7 3HD1 ILE 7 -1.737 0.605 3.602 43 H ARG 8 H ARG 8 0.272 4.104 0.323 44 HA ARG 8 HA ARG 8 1.990 2.053 -0.872 45 1HB ARG 8 1HB ARG 8 2.266 4.351 -1.726 46 2HB ARG 8 2HB ARG 8 2.581 4.927 -0.097 47 1HG ARG 8 1HG ARG 8 4.641 3.699 0.003 48 2HG ARG 8 2HG ARG 8 4.300 2.920 -1.545 49 1HD ARG 8 1HD ARG 8 5.917 4.791 -1.726 50 2HD ARG 8 2HD ARG 8 4.465 5.028 -2.699 51 HE ARG 8 HE ARG 8 4.165 6.237 -0.157 52 1HH1 ARG 8 1HH1 ARG 8 5.789 6.657 -3.212 53 2HH1 ARG 8 2HH1 ARG 8 5.853 8.384 -3.085 54 1HH2 ARG 8 1HH2 ARG 8 4.246 8.508 0.017 55 2HH2 ARG 8 2HH2 ARG 8 4.976 9.435 -1.250 56 H ILE 9 H ILE 9 2.066 0.580 0.796 57 HA ILE 9 HA ILE 9 2.445 1.391 3.500 58 HB ILE 9 HB ILE 9 2.424 -0.885 4.101 59 1HG1 ILE 9 1HG1 ILE 9 4.176 -1.732 2.606 60 2HG1 ILE 9 2HG1 ILE 9 2.749 -2.753 2.528 61 1HG2 ILE 9 1HG2 ILE 9 0.458 0.178 2.503 62 2HG2 ILE 9 2HG2 ILE 9 0.747 -1.405 1.782 63 3HG2 ILE 9 3HG2 ILE 9 0.320 -1.279 3.487 64 1HD1 ILE 9 1HD1 ILE 9 2.121 -1.462 0.445 65 2HD1 ILE 9 2HD1 ILE 9 3.757 -0.805 0.491 66 3HD1 ILE 9 3HD1 ILE 9 3.507 -2.542 0.331 67 H GLN 10 H GLN 10 4.296 0.878 4.829 68 HA GLN 10 HA GLN 10 6.814 1.176 3.372 69 1HB GLN 10 1HB GLN 10 7.756 1.852 5.551 70 2HB GLN 10 2HB GLN 10 6.375 2.837 5.089 71 1HG GLN 10 1HG GLN 10 4.948 1.590 6.608 72 2HG GLN 10 2HG GLN 10 6.300 0.544 7.042 73 1HE2 GLN 10 2HE2 GLN 10 4.519 2.831 8.291 74 2HE2 GLN 10 1HE2 GLN 10 5.679 3.708 9.223 75 H ARG 11 H ARG 11 5.153 -1.366 4.099 76 HA ARG 11 HA ARG 11 7.233 -2.885 5.489 77 1HB ARG 11 1HB ARG 11 4.465 -3.755 4.626 78 2HB ARG 11 2HB ARG 11 5.556 -4.640 5.684 79 1HG ARG 11 1HG ARG 11 5.366 -2.944 7.384 80 2HG ARG 11 2HG ARG 11 4.395 -1.933 6.312 81 1HD ARG 11 1HD ARG 11 2.645 -3.636 6.282 82 2HD ARG 11 2HD ARG 11 3.619 -4.668 7.328 83 HE ARG 11 HE ARG 11 3.348 -2.288 8.679 84 1HH1 ARG 11 1HH1 ARG 11 1.185 -4.696 7.382 85 2HH1 ARG 11 2HH1 ARG 11 -0.026 -4.443 8.594 86 1HH2 ARG 11 1HH2 ARG 11 1.760 -1.952 10.273 87 2HH2 ARG 11 2HH2 ARG 11 0.301 -2.884 10.238 88 H GLY 12 H GLY 12 7.197 -5.320 4.559 89 1HA GLY 12 1HA GLY 12 8.070 -5.025 1.771 90 2HA GLY 12 2HA GLY 12 8.559 -6.307 2.869 91 HA PRO 13 HA PRO 13 9.082 -7.452 1.074 92 1HB PRO 13 1HB PRO 13 8.925 -8.597 -1.353 93 2HB PRO 13 2HB PRO 13 8.650 -9.518 0.131 94 1HG PRO 13 1HG PRO 13 6.660 -8.376 -1.789 95 2HG PRO 13 2HG PRO 13 6.650 -9.949 -0.972 96 1HD PRO 13 1HD PRO 13 5.190 -7.776 -0.143 97 2HD PRO 13 2HD PRO 13 5.716 -9.084 0.933 98 H GLY 14 H GLY 14 9.812 -5.404 0.746 99 1HA GLY 14 1HA GLY 14 10.609 -3.651 -0.538 100 2HA GLY 14 2HA GLY 14 9.862 -4.393 -1.944 101 H ARG 15 H ARG 15 9.884 -1.587 -1.211 102 HA ARG 15 HA ARG 15 7.394 -0.808 -0.115 103 1HB ARG 15 1HB ARG 15 9.077 0.780 -2.063 104 2HB ARG 15 2HB ARG 15 7.925 1.410 -0.893 105 1HG ARG 15 1HG ARG 15 10.552 0.068 -0.277 106 2HG ARG 15 2HG ARG 15 10.184 1.786 -0.130 107 1HD ARG 15 1HD ARG 15 8.585 1.345 1.620 108 2HD ARG 15 2HD ARG 15 8.783 -0.396 1.414 109 HE ARG 15 HE ARG 15 10.432 1.331 2.949 110 1HH1 ARG 15 1HH1 ARG 15 10.515 -1.505 0.926 111 2HH1 ARG 15 2HH1 ARG 15 11.945 -2.148 1.663 112 1HH2 ARG 15 1HH2 ARG 15 12.320 0.497 3.919 113 2HH2 ARG 15 2HH2 ARG 15 12.971 -1.010 3.364 114 H ALA 16 H ALA 16 5.434 -1.032 -0.987 115 HA ALA 16 HA ALA 16 5.108 -0.708 -3.878 116 1HB ALA 16 1HB ALA 16 5.448 -3.122 -3.489 117 2HB ALA 16 2HB ALA 16 4.039 -3.125 -2.429 118 3HB ALA 16 3HB ALA 16 3.853 -2.749 -4.143 119 H PHE 17 H PHE 17 2.622 -1.109 -4.347 120 HA PHE 17 HA PHE 17 1.145 0.535 -2.401 121 1HB PHE 17 1HB PHE 17 1.506 0.791 -5.258 122 2HB PHE 17 2HB PHE 17 -0.201 0.631 -4.869 123 HD1 PHE 17 HD1 PHE 17 -1.081 2.165 -2.967 124 HD2 PHE 17 HD2 PHE 17 2.513 2.864 -5.136 125 HE1 PHE 17 HE1 PHE 17 -1.177 4.546 -2.350 126 HE2 PHE 17 HE2 PHE 17 2.424 5.246 -4.523 127 HZ PHE 17 HZ PHE 17 0.577 6.090 -3.128 128 H VAL 18 H VAL 18 -0.552 -0.355 -1.459 129 HA VAL 18 HA VAL 18 -1.717 -2.803 -2.621 130 HB VAL 18 HB VAL 18 -2.035 -1.936 0.246 131 1HG1 VAL 18 1HG1 VAL 18 -2.574 -4.425 -1.308 132 2HG1 VAL 18 2HG1 VAL 18 -2.227 -4.533 0.417 133 3HG1 VAL 18 3HG1 VAL 18 -3.598 -3.577 -0.147 134 1HG2 VAL 18 1HG2 VAL 18 0.356 -2.121 -0.162 135 2HG2 VAL 18 2HG2 VAL 18 -0.203 -3.452 0.849 136 3HG2 VAL 18 3HG2 VAL 18 0.130 -3.723 -0.862 137 H THR 19 H THR 19 -4.109 -3.020 -2.196 138 HA THR 19 HA THR 19 -5.362 -0.380 -2.488 139 HB THR 19 HB THR 19 -6.242 -3.092 -3.465 140 HG1 THR 19 HG1 THR 19 -5.075 -2.456 -5.083 141 1HG2 THR 19 1HG2 THR 19 -8.197 -1.722 -2.810 142 2HG2 THR 19 2HG2 THR 19 -7.639 -0.467 -3.918 143 3HG2 THR 19 3HG2 THR 19 -8.106 -2.051 -4.536 144 H ILE 20 H ILE 20 -7.507 -0.054 -1.598 145 HA ILE 20 HA ILE 20 -7.783 -1.385 1.002 146 HB ILE 20 HB ILE 20 -9.473 0.957 0.260 147 1HG1 ILE 20 1HG1 ILE 20 -7.294 1.717 -0.456 148 2HG1 ILE 20 2HG1 ILE 20 -7.706 2.500 1.057 149 1HG2 ILE 20 1HG2 ILE 20 -8.196 -0.067 2.780 150 2HG2 ILE 20 2HG2 ILE 20 -9.037 1.478 2.681 151 3HG2 ILE 20 3HG2 ILE 20 -9.911 -0.021 2.371 152 1HD1 ILE 20 1HD1 ILE 20 -6.059 0.028 1.110 153 2HD1 ILE 20 2HD1 ILE 20 -5.324 1.561 0.639 154 3HD1 ILE 20 3HD1 ILE 20 -6.084 1.396 2.221 155 H GLY 21 H GLY 21 -9.917 -1.971 1.743 156 1HA GLY 21 1HA GLY 21 -12.202 -2.501 1.396 157 2HA GLY 21 2HA GLY 21 -11.951 -2.333 -0.335 Start of MODEL 26 1 H ARG 4 H ARG 4 -12.120 3.974 -4.222 2 HA ARG 4 HA ARG 4 -11.072 1.316 -3.619 3 1HB ARG 4 1HB ARG 4 -11.755 1.373 -6.009 4 2HB ARG 4 2HB ARG 4 -10.791 2.825 -6.235 5 1HG ARG 4 1HG ARG 4 -9.518 0.309 -5.230 6 2HG ARG 4 2HG ARG 4 -9.840 0.525 -6.949 7 1HD ARG 4 1HD ARG 4 -8.165 2.338 -5.205 8 2HD ARG 4 2HD ARG 4 -7.563 1.192 -6.397 9 HE ARG 4 HE ARG 4 -9.356 3.003 -7.612 10 1HH1 ARG 4 1HH1 ARG 4 -6.125 2.838 -6.296 11 2HH1 ARG 4 2HH1 ARG 4 -5.506 4.074 -7.339 12 1HH2 ARG 4 1HH2 ARG 4 -8.541 4.630 -8.980 13 2HH2 ARG 4 2HH2 ARG 4 -6.875 5.093 -8.858 14 H LYS 5 H LYS 5 -9.718 1.941 -2.041 15 HA LYS 5 HA LYS 5 -8.075 4.348 -2.449 16 1HB LYS 5 1HB LYS 5 -8.819 2.771 0.011 17 2HB LYS 5 2HB LYS 5 -7.515 3.950 0.019 18 1HG LYS 5 1HG LYS 5 -8.990 5.735 -0.425 19 2HG LYS 5 2HG LYS 5 -10.311 4.639 -0.835 20 1HD LYS 5 1HD LYS 5 -10.615 5.640 1.385 21 2HD LYS 5 2HD LYS 5 -10.432 3.890 1.481 22 1HE LYS 5 1HE LYS 5 -8.180 5.844 1.925 23 2HE LYS 5 2HE LYS 5 -9.176 5.185 3.221 24 1HZ LYS 5 1HZ LYS 5 -8.374 2.983 1.845 25 2HZ LYS 5 2HZ LYS 5 -7.004 3.975 1.799 26 3HZ LYS 5 3HZ LYS 5 -7.688 3.550 3.285 27 H SER 6 H SER 6 -5.808 4.246 -2.203 28 HA SER 6 HA SER 6 -4.618 1.608 -1.899 29 1HB SER 6 1HB SER 6 -3.940 3.369 -4.257 30 2HB SER 6 2HB SER 6 -3.282 1.772 -3.904 31 HG SER 6 HG SER 6 -5.959 1.655 -3.931 32 H ILE 7 H ILE 7 -2.753 1.676 -0.733 33 HA ILE 7 HA ILE 7 -1.485 4.311 -0.377 34 HB ILE 7 HB ILE 7 -0.983 3.464 2.017 35 1HG1 ILE 7 1HG1 ILE 7 -3.492 1.885 1.415 36 2HG1 ILE 7 2HG1 ILE 7 -1.889 1.198 1.666 37 1HG2 ILE 7 1HG2 ILE 7 -2.946 5.126 0.946 38 2HG2 ILE 7 2HG2 ILE 7 -3.756 4.154 2.173 39 3HG2 ILE 7 3HG2 ILE 7 -2.325 5.095 2.597 40 1HD1 ILE 7 1HD1 ILE 7 -3.447 2.769 3.705 41 2HD1 ILE 7 2HD1 ILE 7 -3.304 1.013 3.649 42 3HD1 ILE 7 3HD1 ILE 7 -1.876 2.004 3.948 43 H ARG 8 H ARG 8 0.664 4.396 0.070 44 HA ARG 8 HA ARG 8 2.234 2.055 -0.676 45 1HB ARG 8 1HB ARG 8 3.202 4.831 0.060 46 2HB ARG 8 2HB ARG 8 4.145 3.556 -0.693 47 1HG ARG 8 1HG ARG 8 3.654 5.070 -2.409 48 2HG ARG 8 2HG ARG 8 2.549 3.719 -2.655 49 1HD ARG 8 1HD ARG 8 0.726 4.949 -1.711 50 2HD ARG 8 2HD ARG 8 1.803 6.241 -1.181 51 HE ARG 8 HE ARG 8 1.761 5.767 -4.032 52 1HH1 ARG 8 1HH1 ARG 8 0.408 7.558 -1.362 53 2HH1 ARG 8 2HH1 ARG 8 -0.179 8.848 -2.358 54 1HH2 ARG 8 1HH2 ARG 8 0.989 7.462 -5.348 55 2HH2 ARG 8 2HH2 ARG 8 0.150 8.792 -4.623 56 H ILE 9 H ILE 9 2.220 0.669 1.066 57 HA ILE 9 HA ILE 9 2.301 1.701 3.727 58 HB ILE 9 HB ILE 9 2.079 -0.483 4.525 59 1HG1 ILE 9 1HG1 ILE 9 4.034 -1.468 3.327 60 2HG1 ILE 9 2HG1 ILE 9 2.625 -2.517 3.331 61 1HG2 ILE 9 1HG2 ILE 9 0.171 0.314 3.166 62 2HG2 ILE 9 2HG2 ILE 9 0.813 -0.590 1.796 63 3HG2 ILE 9 3HG2 ILE 9 0.289 -1.443 3.245 64 1HD1 ILE 9 1HD1 ILE 9 2.182 -1.402 1.004 65 2HD1 ILE 9 2HD1 ILE 9 3.914 -1.080 1.085 66 3HD1 ILE 9 3HD1 ILE 9 3.321 -2.736 1.181 67 H GLN 10 H GLN 10 3.983 1.629 5.204 68 HA GLN 10 HA GLN 10 6.642 1.615 4.058 69 1HB GLN 10 1HB GLN 10 7.365 2.478 6.256 70 2HB GLN 10 2HB GLN 10 6.081 3.442 5.543 71 1HG GLN 10 1HG GLN 10 5.647 3.233 7.869 72 2HG GLN 10 2HG GLN 10 4.458 2.256 7.014 73 1HE2 GLN 10 2HE2 GLN 10 4.412 0.074 7.343 74 2HE2 GLN 10 1HE2 GLN 10 5.412 -0.742 8.490 75 H ARG 11 H ARG 11 4.871 -0.842 4.818 76 HA ARG 11 HA ARG 11 6.781 -2.244 6.537 77 1HB ARG 11 1HB ARG 11 4.387 -2.405 7.100 78 2HB ARG 11 2HB ARG 11 4.066 -3.101 5.519 79 1HG ARG 11 1HG ARG 11 5.473 -5.030 6.096 80 2HG ARG 11 2HG ARG 11 5.741 -4.338 7.697 81 1HD ARG 11 1HD ARG 11 3.313 -4.418 8.108 82 2HD ARG 11 2HD ARG 11 3.086 -5.158 6.523 83 HE ARG 11 HE ARG 11 4.927 -6.689 7.984 84 1HH1 ARG 11 1HH1 ARG 11 1.534 -5.880 7.986 85 2HH1 ARG 11 2HH1 ARG 11 1.050 -7.370 8.725 86 1HH2 ARG 11 1HH2 ARG 11 4.295 -8.647 8.957 87 2HH2 ARG 11 2HH2 ARG 11 2.619 -8.941 9.277 88 H GLY 12 H GLY 12 7.475 -4.397 5.951 89 1HA GLY 12 1HA GLY 12 8.045 -4.590 3.075 90 2HA GLY 12 2HA GLY 12 8.948 -5.374 4.360 91 HA PRO 13 HA PRO 13 9.735 -6.777 3.148 92 1HB PRO 13 1HB PRO 13 10.094 -8.809 1.443 93 2HB PRO 13 2HB PRO 13 9.915 -9.086 3.179 94 1HG PRO 13 1HG PRO 13 7.920 -9.442 0.986 95 2HG PRO 13 2HG PRO 13 8.193 -10.436 2.426 96 1HD PRO 13 1HD PRO 13 6.199 -8.514 2.151 97 2HD PRO 13 2HD PRO 13 6.790 -9.163 3.692 98 H GLY 14 H GLY 14 10.155 -5.057 1.900 99 1HA GLY 14 1HA GLY 14 10.751 -4.196 -0.235 100 2HA GLY 14 2HA GLY 14 9.541 -5.240 -0.964 101 H ARG 15 H ARG 15 10.251 -2.113 -0.235 102 HA ARG 15 HA ARG 15 7.841 -1.059 0.682 103 1HB ARG 15 1HB ARG 15 8.761 1.005 -0.785 104 2HB ARG 15 2HB ARG 15 9.375 0.596 0.809 105 1HG ARG 15 1HG ARG 15 11.150 1.044 -0.842 106 2HG ARG 15 2HG ARG 15 11.243 -0.576 -0.150 107 1HD ARG 15 1HD ARG 15 11.625 -0.797 -2.482 108 2HD ARG 15 2HD ARG 15 9.996 -1.395 -2.162 109 HE ARG 15 HE ARG 15 9.631 1.221 -2.829 110 1HH1 ARG 15 1HH1 ARG 15 11.178 -1.500 -4.357 111 2HH1 ARG 15 2HH1 ARG 15 10.857 -0.945 -5.966 112 1HH2 ARG 15 1HH2 ARG 15 9.210 1.965 -4.943 113 2HH2 ARG 15 2HH2 ARG 15 9.740 1.026 -6.299 114 H ALA 16 H ALA 16 5.902 -0.974 -0.185 115 HA ALA 16 HA ALA 16 5.523 -0.494 -3.019 116 1HB ALA 16 1HB ALA 16 5.823 -3.040 -2.591 117 2HB ALA 16 2HB ALA 16 4.191 -2.940 -1.931 118 3HB ALA 16 3HB ALA 16 4.494 -2.481 -3.607 119 H PHE 17 H PHE 17 2.912 -1.081 -3.262 120 HA PHE 17 HA PHE 17 1.578 0.221 -1.009 121 1HB PHE 17 1HB PHE 17 0.737 1.983 -2.197 122 2HB PHE 17 2HB PHE 17 2.228 1.750 -3.088 123 HD1 PHE 17 HD1 PHE 17 1.786 -0.324 -4.938 124 HD2 PHE 17 HD2 PHE 17 -0.983 2.598 -3.537 125 HE1 PHE 17 HE1 PHE 17 0.503 -0.549 -7.023 126 HE2 PHE 17 HE2 PHE 17 -2.271 2.372 -5.631 127 HZ PHE 17 HZ PHE 17 -1.530 0.798 -7.371 128 H VAL 18 H VAL 18 -0.565 -0.303 -0.710 129 HA VAL 18 HA VAL 18 -1.507 -2.606 -2.291 130 HB VAL 18 HB VAL 18 -2.469 -1.942 0.478 131 1HG1 VAL 18 1HG1 VAL 18 -2.584 -4.334 -1.311 132 2HG1 VAL 18 2HG1 VAL 18 -2.739 -4.511 0.436 133 3HG1 VAL 18 3HG1 VAL 18 -3.889 -3.513 -0.452 134 1HG2 VAL 18 1HG2 VAL 18 -0.028 -3.536 -0.277 135 2HG2 VAL 18 2HG2 VAL 18 -0.121 -2.136 0.792 136 3HG2 VAL 18 3HG2 VAL 18 -0.829 -3.673 1.290 137 H THR 19 H THR 19 -3.860 -2.794 -2.487 138 HA THR 19 HA THR 19 -5.171 -0.161 -2.573 139 HB THR 19 HB THR 19 -5.418 -2.467 -4.507 140 HG1 THR 19 HG1 THR 19 -4.662 0.225 -4.970 141 1HG2 THR 19 1HG2 THR 19 -7.088 -0.010 -4.202 142 2HG2 THR 19 2HG2 THR 19 -6.825 -0.738 -5.788 143 3HG2 THR 19 3HG2 THR 19 -7.590 -1.673 -4.504 144 H ILE 20 H ILE 20 -6.683 -0.056 -1.072 145 HA ILE 20 HA ILE 20 -8.268 -2.416 -0.409 146 HB ILE 20 HB ILE 20 -8.830 -0.979 1.637 147 1HG1 ILE 20 1HG1 ILE 20 -7.671 1.035 0.547 148 2HG1 ILE 20 2HG1 ILE 20 -7.414 0.763 2.265 149 1HG2 ILE 20 1HG2 ILE 20 -6.175 -2.296 1.197 150 2HG2 ILE 20 2HG2 ILE 20 -6.689 -1.714 2.780 151 3HG2 ILE 20 3HG2 ILE 20 -7.617 -2.967 1.957 152 1HD1 ILE 20 1HD1 ILE 20 -5.419 -0.586 0.664 153 2HD1 ILE 20 2HD1 ILE 20 -5.475 1.145 0.330 154 3HD1 ILE 20 3HD1 ILE 20 -5.225 0.572 1.978 155 H GLY 21 H GLY 21 -10.463 -1.517 0.618 156 1HA GLY 21 1HA GLY 21 -12.064 -0.672 -1.472 157 2HA GLY 21 2HA GLY 21 -12.496 -0.510 0.225 Start of MODEL 27 1 H ARG 4 H ARG 4 -12.395 3.079 -5.682 2 HA ARG 4 HA ARG 4 -12.037 1.069 -3.701 3 1HB ARG 4 1HB ARG 4 -12.158 -0.448 -5.542 4 2HB ARG 4 2HB ARG 4 -11.236 0.628 -6.579 5 1HG ARG 4 1HG ARG 4 -9.990 -0.535 -4.117 6 2HG ARG 4 2HG ARG 4 -10.111 -1.486 -5.597 7 1HD ARG 4 1HD ARG 4 -8.632 1.110 -5.175 8 2HD ARG 4 2HD ARG 4 -7.967 -0.460 -5.616 9 HE ARG 4 HE ARG 4 -9.844 0.471 -7.546 10 1HH1 ARG 4 1HH1 ARG 4 -6.534 0.823 -6.489 11 2HH1 ARG 4 2HH1 ARG 4 -5.971 1.341 -8.041 12 1HH2 ARG 4 1HH2 ARG 4 -9.104 1.160 -9.573 13 2HH2 ARG 4 2HH2 ARG 4 -7.428 1.538 -9.791 14 H LYS 5 H LYS 5 -10.310 1.673 -2.555 15 HA LYS 5 HA LYS 5 -8.576 3.787 -3.660 16 1HB LYS 5 1HB LYS 5 -9.955 4.370 -1.645 17 2HB LYS 5 2HB LYS 5 -9.094 3.118 -0.755 18 1HG LYS 5 1HG LYS 5 -7.015 4.303 -0.991 19 2HG LYS 5 2HG LYS 5 -7.772 5.503 -2.043 20 1HD LYS 5 1HD LYS 5 -9.223 6.202 -0.200 21 2HD LYS 5 2HD LYS 5 -8.471 4.999 0.850 22 1HE LYS 5 1HE LYS 5 -6.335 6.124 0.670 23 2HE LYS 5 2HE LYS 5 -7.007 7.279 -0.482 24 1HZ LYS 5 1HZ LYS 5 -7.877 6.969 2.341 25 2HZ LYS 5 2HZ LYS 5 -6.867 8.195 1.758 26 3HZ LYS 5 3HZ LYS 5 -8.472 8.105 1.235 27 H SER 6 H SER 6 -6.319 3.717 -3.023 28 HA SER 6 HA SER 6 -5.355 1.150 -2.043 29 1HB SER 6 1HB SER 6 -4.383 2.351 -4.650 30 2HB SER 6 2HB SER 6 -3.758 0.889 -3.888 31 HG SER 6 HG SER 6 -5.491 -0.205 -4.523 32 H ILE 7 H ILE 7 -3.206 1.242 -1.193 33 HA ILE 7 HA ILE 7 -2.150 3.969 -0.813 34 HB ILE 7 HB ILE 7 -1.404 3.069 1.493 35 1HG1 ILE 7 1HG1 ILE 7 -3.779 1.268 0.972 36 2HG1 ILE 7 2HG1 ILE 7 -2.104 0.741 1.095 37 1HG2 ILE 7 1HG2 ILE 7 -3.115 4.861 0.963 38 2HG2 ILE 7 2HG2 ILE 7 -4.332 3.623 1.263 39 3HG2 ILE 7 3HG2 ILE 7 -3.208 4.081 2.542 40 1HD1 ILE 7 1HD1 ILE 7 -3.647 2.078 3.305 41 2HD1 ILE 7 2HD1 ILE 7 -3.403 0.337 3.143 42 3HD1 ILE 7 3HD1 ILE 7 -2.022 1.401 3.407 43 H ARG 8 H ARG 8 0.033 4.186 -0.511 44 HA ARG 8 HA ARG 8 1.678 1.921 -1.377 45 1HB ARG 8 1HB ARG 8 2.045 4.008 -2.600 46 2HB ARG 8 2HB ARG 8 2.305 4.877 -1.093 47 1HG ARG 8 1HG ARG 8 4.351 3.703 -0.695 48 2HG ARG 8 2HG ARG 8 4.057 2.629 -2.064 49 1HD ARG 8 1HD ARG 8 5.697 4.415 -2.562 50 2HD ARG 8 2HD ARG 8 4.283 4.458 -3.614 51 HE ARG 8 HE ARG 8 3.830 6.541 -2.813 52 1HH1 ARG 8 1HH1 ARG 8 5.882 4.921 -0.505 53 2HH1 ARG 8 2HH1 ARG 8 6.051 6.314 0.510 54 1HH2 ARG 8 1HH2 ARG 8 4.051 8.374 -1.481 55 2HH2 ARG 8 2HH2 ARG 8 5.012 8.274 -0.043 56 H ILE 9 H ILE 9 1.766 0.716 0.487 57 HA ILE 9 HA ILE 9 2.127 1.924 3.038 58 HB ILE 9 HB ILE 9 2.048 -0.223 3.985 59 1HG1 ILE 9 1HG1 ILE 9 3.807 -1.314 2.658 60 2HG1 ILE 9 2HG1 ILE 9 2.366 -2.316 2.737 61 1HG2 ILE 9 1HG2 ILE 9 -0.015 0.560 2.816 62 2HG2 ILE 9 2HG2 ILE 9 0.419 -0.491 1.468 63 3HG2 ILE 9 3HG2 ILE 9 0.079 -1.185 3.053 64 1HD1 ILE 9 1HD1 ILE 9 1.769 -1.339 0.469 65 2HD1 ILE 9 2HD1 ILE 9 3.430 -0.751 0.422 66 3HD1 ILE 9 3HD1 ILE 9 3.110 -2.479 0.540 67 H GLN 10 H GLN 10 3.894 1.618 4.477 68 HA GLN 10 HA GLN 10 6.469 1.632 3.101 69 1HB GLN 10 1HB GLN 10 5.733 2.481 5.910 70 2HB GLN 10 2HB GLN 10 7.331 2.634 5.192 71 1HG GLN 10 1HG GLN 10 6.482 4.185 3.543 72 2HG GLN 10 2HG GLN 10 4.842 3.981 4.160 73 1HE2 GLN 10 2HE2 GLN 10 4.172 5.333 5.685 74 2HE2 GLN 10 1HE2 GLN 10 5.179 6.400 6.596 75 H ARG 11 H ARG 11 4.711 -0.725 4.188 76 HA ARG 11 HA ARG 11 6.732 -2.036 5.856 77 1HB ARG 11 1HB ARG 11 4.234 -1.992 6.444 78 2HB ARG 11 2HB ARG 11 4.008 -3.111 5.110 79 1HG ARG 11 1HG ARG 11 6.086 -4.140 6.749 80 2HG ARG 11 2HG ARG 11 4.765 -3.651 7.799 81 1HD ARG 11 1HD ARG 11 3.493 -5.368 7.156 82 2HD ARG 11 2HD ARG 11 3.813 -5.071 5.447 83 HE ARG 11 HE ARG 11 6.105 -6.218 6.414 84 1HH1 ARG 11 1HH1 ARG 11 2.739 -7.118 6.321 85 2HH1 ARG 11 2HH1 ARG 11 3.064 -8.812 6.165 86 1HH2 ARG 11 1HH2 ARG 11 6.544 -8.437 6.188 87 2HH2 ARG 11 2HH2 ARG 11 5.231 -9.563 6.087 88 H GLY 12 H GLY 12 7.335 -4.282 5.321 89 1HA GLY 12 1HA GLY 12 7.710 -4.567 2.430 90 2HA GLY 12 2HA GLY 12 8.639 -5.368 3.682 91 HA PRO 13 HA PRO 13 9.333 -6.890 2.496 92 1HB PRO 13 1HB PRO 13 8.873 -8.793 0.351 93 2HB PRO 13 2HB PRO 13 9.810 -9.004 1.831 94 1HG PRO 13 1HG PRO 13 7.461 -10.305 1.338 95 2HG PRO 13 2HG PRO 13 8.049 -9.929 2.968 96 1HD PRO 13 1HD PRO 13 5.990 -8.509 1.315 97 2HD PRO 13 2HD PRO 13 5.985 -8.870 3.057 98 H GLY 14 H GLY 14 9.801 -5.055 1.468 99 1HA GLY 14 1HA GLY 14 10.318 -3.807 -0.436 100 2HA GLY 14 2HA GLY 14 9.309 -4.883 -1.389 101 H ARG 15 H ARG 15 9.523 -1.846 -0.978 102 HA ARG 15 HA ARG 15 6.977 -1.071 0.090 103 1HB ARG 15 1HB ARG 15 8.852 0.518 -1.680 104 2HB ARG 15 2HB ARG 15 7.553 1.166 -0.687 105 1HG ARG 15 1HG ARG 15 10.059 -0.175 0.317 106 2HG ARG 15 2HG ARG 15 9.705 1.553 0.355 107 1HD ARG 15 1HD ARG 15 7.791 1.117 1.822 108 2HD ARG 15 2HD ARG 15 8.164 -0.605 1.798 109 HE ARG 15 HE ARG 15 9.394 1.380 3.415 110 1HH1 ARG 15 1HH1 ARG 15 10.047 -1.579 1.690 111 2HH1 ARG 15 2HH1 ARG 15 11.378 -2.027 2.705 112 1HH2 ARG 15 1HH2 ARG 15 11.141 0.795 4.756 113 2HH2 ARG 15 2HH2 ARG 15 11.999 -0.679 4.448 114 H ALA 16 H ALA 16 5.066 -1.100 -0.936 115 HA ALA 16 HA ALA 16 4.947 -0.786 -3.828 116 1HB ALA 16 1HB ALA 16 5.313 -3.238 -3.341 117 2HB ALA 16 2HB ALA 16 3.709 -3.237 -2.605 118 3HB ALA 16 3HB ALA 16 3.896 -2.842 -4.314 119 H PHE 17 H PHE 17 2.490 -1.319 -4.448 120 HA PHE 17 HA PHE 17 0.884 0.397 -2.683 121 1HB PHE 17 1HB PHE 17 1.264 0.317 -5.544 122 2HB PHE 17 2HB PHE 17 -0.439 0.107 -5.153 123 HD1 PHE 17 HD1 PHE 17 -1.372 1.800 -3.371 124 HD2 PHE 17 HD2 PHE 17 2.089 2.453 -5.760 125 HE1 PHE 17 HE1 PHE 17 -1.611 4.229 -3.048 126 HE2 PHE 17 HE2 PHE 17 1.857 4.882 -5.441 127 HZ PHE 17 HZ PHE 17 0.005 5.773 -4.082 128 H VAL 18 H VAL 18 -0.758 -0.453 -1.625 129 HA VAL 18 HA VAL 18 -1.843 -3.053 -2.499 130 HB VAL 18 HB VAL 18 -2.062 -1.952 0.296 131 1HG1 VAL 18 1HG1 VAL 18 -2.569 -4.592 -0.998 132 2HG1 VAL 18 2HG1 VAL 18 -2.154 -4.517 0.715 133 3HG1 VAL 18 3HG1 VAL 18 -3.580 -3.671 0.117 134 1HG2 VAL 18 1HG2 VAL 18 0.354 -2.226 -0.516 135 2HG2 VAL 18 2HG2 VAL 18 -0.100 -3.014 0.993 136 3HG2 VAL 18 3HG2 VAL 18 0.025 -3.958 -0.492 137 H THR 19 H THR 19 -4.190 -3.326 -1.947 138 HA THR 19 HA THR 19 -5.579 -0.789 -2.429 139 HB THR 19 HB THR 19 -6.413 -3.635 -2.991 140 HG1 THR 19 HG1 THR 19 -5.631 -3.205 -4.878 141 1HG2 THR 19 1HG2 THR 19 -7.967 -1.089 -3.361 142 2HG2 THR 19 2HG2 THR 19 -8.335 -2.596 -4.199 143 3HG2 THR 19 3HG2 THR 19 -8.436 -2.518 -2.440 144 H ILE 20 H ILE 20 -7.490 -0.285 -1.345 145 HA ILE 20 HA ILE 20 -7.723 -1.472 1.331 146 HB ILE 20 HB ILE 20 -8.811 1.215 0.526 147 1HG1 ILE 20 1HG1 ILE 20 -6.051 0.627 1.623 148 2HG1 ILE 20 2HG1 ILE 20 -6.411 1.240 0.014 149 1HG2 ILE 20 1HG2 ILE 20 -8.271 -0.198 3.100 150 2HG2 ILE 20 2HG2 ILE 20 -8.275 1.561 3.048 151 3HG2 ILE 20 3HG2 ILE 20 -9.716 0.666 2.576 152 1HD1 ILE 20 1HD1 ILE 20 -7.646 2.998 1.816 153 2HD1 ILE 20 2HD1 ILE 20 -6.033 2.674 2.451 154 3HD1 ILE 20 3HD1 ILE 20 -6.227 3.290 0.811 155 H GLY 21 H GLY 21 -9.954 -1.419 2.255 156 1HA GLY 21 1HA GLY 21 -12.160 -1.335 0.393 157 2HA GLY 21 2HA GLY 21 -11.769 -2.945 0.984 Start of MODEL 28 1 H ARG 4 H ARG 4 -12.844 2.086 -5.212 2 HA ARG 4 HA ARG 4 -11.346 1.052 -3.164 3 1HB ARG 4 1HB ARG 4 -10.703 1.653 -6.064 4 2HB ARG 4 2HB ARG 4 -9.809 0.533 -5.045 5 1HG ARG 4 1HG ARG 4 -11.878 -0.816 -4.791 6 2HG ARG 4 2HG ARG 4 -12.679 0.269 -5.929 7 1HD ARG 4 1HD ARG 4 -10.259 -1.446 -6.490 8 2HD ARG 4 2HD ARG 4 -11.901 -1.731 -7.068 9 HE ARG 4 HE ARG 4 -11.164 0.809 -7.918 10 1HH1 ARG 4 1HH1 ARG 4 -10.156 -2.490 -8.449 11 2HH1 ARG 4 2HH1 ARG 4 -9.578 -2.186 -10.053 12 1HH2 ARG 4 1HH2 ARG 4 -10.406 1.209 -10.021 13 2HH2 ARG 4 2HH2 ARG 4 -9.719 -0.084 -10.946 14 H LYS 5 H LYS 5 -9.061 1.380 -2.761 15 HA LYS 5 HA LYS 5 -7.899 3.981 -3.294 16 1HB LYS 5 1HB LYS 5 -9.404 4.227 -1.242 17 2HB LYS 5 2HB LYS 5 -8.306 3.122 -0.424 18 1HG LYS 5 1HG LYS 5 -7.015 5.425 -1.724 19 2HG LYS 5 2HG LYS 5 -8.091 5.823 -0.386 20 1HD LYS 5 1HD LYS 5 -5.944 3.723 -0.166 21 2HD LYS 5 2HD LYS 5 -5.647 5.424 0.190 22 1HE LYS 5 1HE LYS 5 -7.720 3.688 1.532 23 2HE LYS 5 2HE LYS 5 -6.154 4.125 2.215 24 1HZ LYS 5 1HZ LYS 5 -7.479 6.466 1.413 25 2HZ LYS 5 2HZ LYS 5 -8.546 5.550 2.354 26 3HZ LYS 5 3HZ LYS 5 -7.033 5.991 2.973 27 H SER 6 H SER 6 -5.590 4.012 -2.365 28 HA SER 6 HA SER 6 -4.605 1.312 -1.822 29 1HB SER 6 1HB SER 6 -3.407 3.030 -4.003 30 2HB SER 6 2HB SER 6 -2.901 1.409 -3.543 31 HG SER 6 HG SER 6 -4.578 0.575 -4.579 32 H ILE 7 H ILE 7 -2.522 1.261 -0.827 33 HA ILE 7 HA ILE 7 -1.504 3.857 0.117 34 HB ILE 7 HB ILE 7 -0.876 2.583 2.262 35 1HG1 ILE 7 1HG1 ILE 7 -3.183 0.867 1.333 36 2HG1 ILE 7 2HG1 ILE 7 -1.503 0.357 1.429 37 1HG2 ILE 7 1HG2 ILE 7 -3.319 3.944 1.511 38 2HG2 ILE 7 2HG2 ILE 7 -3.526 2.865 2.891 39 3HG2 ILE 7 3HG2 ILE 7 -2.294 4.123 2.938 40 1HD1 ILE 7 1HD1 ILE 7 -3.046 1.324 3.814 41 2HD1 ILE 7 2HD1 ILE 7 -2.991 -0.367 3.317 42 3HD1 ILE 7 3HD1 ILE 7 -1.506 0.464 3.784 43 H ARG 8 H ARG 8 0.669 3.954 0.607 44 HA ARG 8 HA ARG 8 2.308 1.847 -0.602 45 1HB ARG 8 1HB ARG 8 4.157 3.565 -0.401 46 2HB ARG 8 2HB ARG 8 2.858 4.000 -1.503 47 1HG ARG 8 1HG ARG 8 1.900 5.478 0.172 48 2HG ARG 8 2HG ARG 8 3.145 5.003 1.327 49 1HD ARG 8 1HD ARG 8 4.855 5.899 -0.237 50 2HD ARG 8 2HD ARG 8 3.550 6.471 -1.274 51 HE ARG 8 HE ARG 8 2.861 7.921 0.568 52 1HH1 ARG 8 1HH1 ARG 8 6.108 6.631 0.657 53 2HH1 ARG 8 2HH1 ARG 8 6.694 7.856 1.730 54 1HH2 ARG 8 1HH2 ARG 8 3.636 9.526 1.976 55 2HH2 ARG 8 2HH2 ARG 8 5.294 9.498 2.479 56 H ILE 9 H ILE 9 2.317 0.334 1.032 57 HA ILE 9 HA ILE 9 2.654 1.110 3.757 58 HB ILE 9 HB ILE 9 2.441 -1.149 4.343 59 1HG1 ILE 9 1HG1 ILE 9 4.277 -2.030 2.909 60 2HG1 ILE 9 2HG1 ILE 9 2.843 -3.046 2.877 61 1HG2 ILE 9 1HG2 ILE 9 0.553 -0.032 2.903 62 2HG2 ILE 9 2HG2 ILE 9 0.962 -1.310 1.761 63 3HG2 ILE 9 3HG2 ILE 9 0.434 -1.719 3.389 64 1HD1 ILE 9 1HD1 ILE 9 2.221 -1.861 0.734 65 2HD1 ILE 9 2HD1 ILE 9 3.855 -1.199 0.755 66 3HD1 ILE 9 3HD1 ILE 9 3.614 -2.942 0.675 67 H GLN 10 H GLN 10 4.461 0.850 5.086 68 HA GLN 10 HA GLN 10 7.016 0.836 3.681 69 1HB GLN 10 1HB GLN 10 6.435 2.624 5.339 70 2HB GLN 10 2HB GLN 10 6.468 1.402 6.601 71 1HG GLN 10 1HG GLN 10 8.812 1.016 6.244 72 2HG GLN 10 2HG GLN 10 8.817 2.085 4.843 73 1HE2 GLN 10 2HE2 GLN 10 7.941 4.348 5.389 74 2HE2 GLN 10 1HE2 GLN 10 8.565 5.059 6.834 75 H ARG 11 H ARG 11 5.159 -1.518 4.734 76 HA ARG 11 HA ARG 11 7.260 -3.043 6.090 77 1HB ARG 11 1HB ARG 11 5.270 -4.749 6.257 78 2HB ARG 11 2HB ARG 11 5.353 -3.369 7.342 79 1HG ARG 11 1HG ARG 11 3.740 -2.170 5.998 80 2HG ARG 11 2HG ARG 11 3.716 -3.479 4.816 81 1HD ARG 11 1HD ARG 11 2.761 -4.988 6.422 82 2HD ARG 11 2HD ARG 11 2.950 -3.804 7.714 83 HE ARG 11 HE ARG 11 0.955 -2.916 7.085 84 1HH1 ARG 11 1HH1 ARG 11 2.276 -4.610 4.340 85 2HH1 ARG 11 2HH1 ARG 11 0.884 -4.344 3.346 86 1HH2 ARG 11 1HH2 ARG 11 -0.884 -2.578 5.787 87 2HH2 ARG 11 2HH2 ARG 11 -0.911 -3.191 4.168 88 H GLY 12 H GLY 12 7.028 -5.537 5.457 89 1HA GLY 12 1HA GLY 12 7.584 -5.595 2.578 90 2HA GLY 12 2HA GLY 12 8.109 -6.787 3.756 91 HA PRO 13 HA PRO 13 8.379 -8.195 2.121 92 1HB PRO 13 1HB PRO 13 7.393 -9.428 -0.311 93 2HB PRO 13 2HB PRO 13 8.197 -10.189 1.063 94 1HG PRO 13 1HG PRO 13 5.570 -10.599 0.430 95 2HG PRO 13 2HG PRO 13 6.219 -10.745 2.073 96 1HD PRO 13 1HD PRO 13 4.711 -8.477 0.823 97 2HD PRO 13 2HD PRO 13 4.576 -9.155 2.461 98 H GLY 14 H GLY 14 9.259 -6.297 1.507 99 1HA GLY 14 1HA GLY 14 10.127 -4.828 -0.061 100 2HA GLY 14 2HA GLY 14 9.093 -5.557 -1.277 101 H ARG 15 H ARG 15 9.736 -2.723 0.006 102 HA ARG 15 HA ARG 15 7.237 -1.680 0.818 103 1HB ARG 15 1HB ARG 15 9.421 -0.618 1.315 104 2HB ARG 15 2HB ARG 15 9.619 -0.246 -0.389 105 1HG ARG 15 1HG ARG 15 7.334 0.792 1.272 106 2HG ARG 15 2HG ARG 15 8.863 1.649 1.076 107 1HD ARG 15 1HD ARG 15 6.854 0.951 -1.061 108 2HD ARG 15 2HD ARG 15 7.319 2.553 -0.500 109 HE ARG 15 HE ARG 15 9.603 1.253 -1.468 110 1HH1 ARG 15 1HH1 ARG 15 6.612 2.599 -2.650 111 2HH1 ARG 15 2HH1 ARG 15 7.246 2.960 -4.220 112 1HH2 ARG 15 1HH2 ARG 15 10.440 1.720 -3.531 113 2HH2 ARG 15 2HH2 ARG 15 9.422 2.459 -4.721 114 H ALA 16 H ALA 16 5.482 -1.585 -0.428 115 HA ALA 16 HA ALA 16 5.675 -0.500 -3.126 116 1HB ALA 16 1HB ALA 16 5.736 -3.193 -2.896 117 2HB ALA 16 2HB ALA 16 4.000 -2.910 -3.017 118 3HB ALA 16 3HB ALA 16 5.080 -2.329 -4.285 119 H PHE 17 H PHE 17 3.221 -0.931 -4.040 120 HA PHE 17 HA PHE 17 1.531 0.524 -2.123 121 1HB PHE 17 1HB PHE 17 2.124 0.930 -4.895 122 2HB PHE 17 2HB PHE 17 0.405 0.605 -4.725 123 HD1 PHE 17 HD1 PHE 17 -0.766 1.941 -2.764 124 HD2 PHE 17 HD2 PHE 17 2.849 3.091 -4.691 125 HE1 PHE 17 HE1 PHE 17 -1.150 4.275 -2.086 126 HE2 PHE 17 HE2 PHE 17 2.475 5.424 -4.012 127 HZ PHE 17 HZ PHE 17 0.471 6.020 -2.708 128 H VAL 18 H VAL 18 -0.259 -0.396 -1.372 129 HA VAL 18 HA VAL 18 -1.297 -2.783 -2.751 130 HB VAL 18 HB VAL 18 -2.190 -3.512 -0.533 131 1HG1 VAL 18 1HG1 VAL 18 0.800 -3.234 -0.766 132 2HG1 VAL 18 2HG1 VAL 18 -0.040 -4.360 0.301 133 3HG1 VAL 18 3HG1 VAL 18 -0.197 -4.518 -1.450 134 1HG2 VAL 18 1HG2 VAL 18 -0.507 -1.220 0.446 135 2HG2 VAL 18 2HG2 VAL 18 -2.226 -1.499 0.716 136 3HG2 VAL 18 3HG2 VAL 18 -1.033 -2.547 1.481 137 H THR 19 H THR 19 -3.581 -3.084 -2.694 138 HA THR 19 HA THR 19 -4.974 -0.524 -2.714 139 HB THR 19 HB THR 19 -5.886 -3.225 -3.703 140 HG1 THR 19 HG1 THR 19 -4.845 -2.752 -5.456 141 1HG2 THR 19 1HG2 THR 19 -7.061 -0.483 -4.013 142 2HG2 THR 19 2HG2 THR 19 -7.451 -1.828 -5.086 143 3HG2 THR 19 3HG2 THR 19 -7.831 -1.929 -3.366 144 H ILE 20 H ILE 20 -7.104 -0.341 -1.877 145 HA ILE 20 HA ILE 20 -7.854 -2.065 0.349 146 HB ILE 20 HB ILE 20 -8.011 0.902 0.690 147 1HG1 ILE 20 1HG1 ILE 20 -5.580 -0.702 1.506 148 2HG1 ILE 20 2HG1 ILE 20 -5.631 0.315 0.069 149 1HG2 ILE 20 1HG2 ILE 20 -8.002 -1.505 2.452 150 2HG2 ILE 20 2HG2 ILE 20 -7.554 0.068 3.107 151 3HG2 ILE 20 3HG2 ILE 20 -9.145 -0.165 2.385 152 1HD1 ILE 20 1HD1 ILE 20 -6.518 1.778 2.372 153 2HD1 ILE 20 2HD1 ILE 20 -4.928 1.071 2.647 154 3HD1 ILE 20 3HD1 ILE 20 -5.197 2.122 1.254 155 H GLY 21 H GLY 21 -10.113 -1.652 1.028 156 1HA GLY 21 1HA GLY 21 -12.227 -0.560 0.638 157 2HA GLY 21 2HA GLY 21 -11.716 -0.258 -1.014 Start of MODEL 29 1 H ARG 4 H ARG 4 -10.884 1.401 -7.041 2 HA ARG 4 HA ARG 4 -11.442 2.023 -4.428 3 1HB ARG 4 1HB ARG 4 -9.463 0.324 -5.925 4 2HB ARG 4 2HB ARG 4 -9.374 0.425 -4.175 5 1HG ARG 4 1HG ARG 4 -10.605 -1.528 -4.739 6 2HG ARG 4 2HG ARG 4 -11.732 -0.353 -4.068 7 1HD ARG 4 1HD ARG 4 -11.307 -0.823 -7.015 8 2HD ARG 4 2HD ARG 4 -12.591 -1.568 -6.062 9 HE ARG 4 HE ARG 4 -12.613 1.032 -7.154 10 1HH1 ARG 4 1HH1 ARG 4 -13.540 -0.713 -4.274 11 2HH1 ARG 4 2HH1 ARG 4 -14.797 0.403 -3.854 12 1HH2 ARG 4 1HH2 ARG 4 -14.261 2.495 -6.604 13 2HH2 ARG 4 2HH2 ARG 4 -15.208 2.226 -5.178 14 H LYS 5 H LYS 5 -9.443 2.011 -2.843 15 HA LYS 5 HA LYS 5 -7.867 4.436 -3.432 16 1HB LYS 5 1HB LYS 5 -9.520 4.062 -1.347 17 2HB LYS 5 2HB LYS 5 -8.094 3.285 -0.688 18 1HG LYS 5 1HG LYS 5 -8.169 6.118 -1.709 19 2HG LYS 5 2HG LYS 5 -8.364 5.657 -0.020 20 1HD LYS 5 1HD LYS 5 -5.922 5.250 -1.745 21 2HD LYS 5 2HD LYS 5 -6.092 6.362 -0.394 22 1HE LYS 5 1HE LYS 5 -6.138 3.349 -0.253 23 2HE LYS 5 2HE LYS 5 -4.843 4.408 0.295 24 1HZ LYS 5 1HZ LYS 5 -7.089 5.320 1.571 25 2HZ LYS 5 2HZ LYS 5 -7.228 3.634 1.641 26 3HZ LYS 5 3HZ LYS 5 -5.847 4.396 2.257 27 H SER 6 H SER 6 -5.592 4.317 -3.067 28 HA SER 6 HA SER 6 -4.556 1.712 -2.253 29 1HB SER 6 1HB SER 6 -3.575 3.076 -4.756 30 2HB SER 6 2HB SER 6 -3.125 1.480 -4.159 31 HG SER 6 HG SER 6 -4.849 0.680 -5.053 32 H ILE 7 H ILE 7 -2.624 1.751 -1.191 33 HA ILE 7 HA ILE 7 -1.261 4.348 -0.973 34 HB ILE 7 HB ILE 7 -0.757 3.447 1.468 35 1HG1 ILE 7 1HG1 ILE 7 -3.556 2.421 0.978 36 2HG1 ILE 7 2HG1 ILE 7 -2.128 1.399 1.111 37 1HG2 ILE 7 1HG2 ILE 7 -2.619 5.326 0.354 38 2HG2 ILE 7 2HG2 ILE 7 -3.191 4.683 1.894 39 3HG2 ILE 7 3HG2 ILE 7 -1.602 5.439 1.792 40 1HD1 ILE 7 1HD1 ILE 7 -3.184 3.218 3.264 41 2HD1 ILE 7 2HD1 ILE 7 -3.399 1.470 3.190 42 3HD1 ILE 7 3HD1 ILE 7 -1.784 2.151 3.392 43 H ARG 8 H ARG 8 0.896 4.347 -0.531 44 HA ARG 8 HA ARG 8 2.350 1.951 -1.262 45 1HB ARG 8 1HB ARG 8 4.345 3.375 -1.134 46 2HB ARG 8 2HB ARG 8 3.108 4.126 -2.133 47 1HG ARG 8 1HG ARG 8 2.468 5.521 -0.161 48 2HG ARG 8 2HG ARG 8 3.860 4.854 0.691 49 1HD ARG 8 1HD ARG 8 5.328 5.714 -1.098 50 2HD ARG 8 2HD ARG 8 3.923 6.448 -1.868 51 HE ARG 8 HE ARG 8 5.406 7.509 0.290 52 1HH1 ARG 8 1HH1 ARG 8 2.128 7.189 -0.859 53 2HH1 ARG 8 2HH1 ARG 8 1.575 8.622 -0.061 54 1HH2 ARG 8 1HH2 ARG 8 4.683 9.394 1.337 55 2HH2 ARG 8 2HH2 ARG 8 3.027 9.876 1.185 56 H ILE 9 H ILE 9 2.382 0.453 0.356 57 HA ILE 9 HA ILE 9 2.329 1.305 3.086 58 HB ILE 9 HB ILE 9 2.302 -1.003 3.728 59 1HG1 ILE 9 1HG1 ILE 9 4.086 -1.621 1.894 60 2HG1 ILE 9 2HG1 ILE 9 2.940 -2.829 2.456 61 1HG2 ILE 9 1HG2 ILE 9 0.667 -0.429 1.272 62 2HG2 ILE 9 2HG2 ILE 9 0.435 -1.872 2.259 63 3HG2 ILE 9 3HG2 ILE 9 0.196 -0.274 2.964 64 1HD1 ILE 9 1HD1 ILE 9 1.789 -1.464 0.243 65 2HD1 ILE 9 2HD1 ILE 9 3.428 -1.960 -0.173 66 3HD1 ILE 9 3HD1 ILE 9 2.262 -3.154 0.388 67 H GLN 10 H GLN 10 3.937 0.632 4.696 68 HA GLN 10 HA GLN 10 6.643 1.000 3.643 69 1HB GLN 10 1HB GLN 10 5.615 1.286 6.472 70 2HB GLN 10 2HB GLN 10 7.245 1.661 5.927 71 1HG GLN 10 1HG GLN 10 4.709 3.049 5.085 72 2HG GLN 10 2HG GLN 10 5.955 3.686 6.157 73 1HE2 GLN 10 2HE2 GLN 10 4.926 3.310 2.937 74 2HE2 GLN 10 1HE2 GLN 10 6.305 4.008 2.169 75 H ARG 11 H ARG 11 4.933 -1.598 4.058 76 HA ARG 11 HA ARG 11 6.839 -3.084 5.714 77 1HB ARG 11 1HB ARG 11 4.222 -3.988 4.494 78 2HB ARG 11 2HB ARG 11 5.221 -4.926 5.597 79 1HG ARG 11 1HG ARG 11 4.861 -3.237 7.342 80 2HG ARG 11 2HG ARG 11 3.824 -2.334 6.236 81 1HD ARG 11 1HD ARG 11 2.320 -4.275 6.089 82 2HD ARG 11 2HD ARG 11 3.346 -5.143 7.229 83 HE ARG 11 HE ARG 11 1.971 -2.633 7.945 84 1HH1 ARG 11 1HH1 ARG 11 2.819 -5.951 8.640 85 2HH1 ARG 11 2HH1 ARG 11 2.086 -5.937 10.209 86 1HH2 ARG 11 1HH2 ARG 11 1.007 -2.621 10.004 87 2HH2 ARG 11 2HH2 ARG 11 1.058 -4.049 10.982 88 H GLY 12 H GLY 12 7.579 -5.205 4.933 89 1HA GLY 12 1HA GLY 12 8.372 -5.004 2.113 90 2HA GLY 12 2HA GLY 12 9.183 -5.951 3.349 91 HA PRO 13 HA PRO 13 10.089 -7.169 1.862 92 1HB PRO 13 1HB PRO 13 10.413 -8.632 -0.377 93 2HB PRO 13 2HB PRO 13 10.295 -9.381 1.221 94 1HG PRO 13 1HG PRO 13 8.200 -9.094 -0.898 95 2HG PRO 13 2HG PRO 13 8.564 -10.489 0.136 96 1HD PRO 13 1HD PRO 13 6.517 -8.729 0.616 97 2HD PRO 13 2HD PRO 13 7.330 -9.666 1.885 98 H GLY 14 H GLY 14 10.620 -5.223 1.104 99 1HA GLY 14 1HA GLY 14 11.098 -3.636 -0.530 100 2HA GLY 14 2HA GLY 14 10.159 -4.575 -1.682 101 H ARG 15 H ARG 15 10.178 -1.657 -0.976 102 HA ARG 15 HA ARG 15 7.638 -1.161 0.267 103 1HB ARG 15 1HB ARG 15 9.717 0.566 -1.036 104 2HB ARG 15 2HB ARG 15 8.124 1.221 -0.682 105 1HG ARG 15 1HG ARG 15 9.754 1.716 1.081 106 2HG ARG 15 2HG ARG 15 8.403 0.748 1.669 107 1HD ARG 15 1HD ARG 15 9.783 -1.269 1.521 108 2HD ARG 15 2HD ARG 15 11.133 -0.303 0.924 109 HE ARG 15 HE ARG 15 10.383 0.830 3.324 110 1HH1 ARG 15 1HH1 ARG 15 11.550 -2.268 2.235 111 2HH1 ARG 15 2HH1 ARG 15 12.335 -2.641 3.733 112 1HH2 ARG 15 1HH2 ARG 15 11.413 0.346 5.297 113 2HH2 ARG 15 2HH2 ARG 15 12.256 -1.156 5.474 114 H ALA 16 H ALA 16 5.773 -1.412 -0.675 115 HA ALA 16 HA ALA 16 5.427 -0.705 -3.507 116 1HB ALA 16 1HB ALA 16 5.699 -3.216 -3.172 117 2HB ALA 16 2HB ALA 16 4.151 -3.162 -2.330 118 3HB ALA 16 3HB ALA 16 4.251 -2.682 -4.024 119 H PHE 17 H PHE 17 2.819 -1.126 -3.831 120 HA PHE 17 HA PHE 17 1.525 0.203 -1.564 121 1HB PHE 17 1HB PHE 17 0.678 1.945 -2.785 122 2HB PHE 17 2HB PHE 17 2.180 1.689 -3.653 123 HD1 PHE 17 HD1 PHE 17 1.807 -0.324 -5.529 124 HD2 PHE 17 HD2 PHE 17 -1.080 2.467 -4.100 125 HE1 PHE 17 HE1 PHE 17 0.543 -0.573 -7.624 126 HE2 PHE 17 HE2 PHE 17 -2.352 2.214 -6.205 127 HZ PHE 17 HZ PHE 17 -1.540 0.695 -7.962 128 H VAL 18 H VAL 18 -0.580 -0.283 -1.170 129 HA VAL 18 HA VAL 18 -1.656 -2.572 -2.679 130 HB VAL 18 HB VAL 18 -2.910 -3.138 -0.611 131 1HG1 VAL 18 1HG1 VAL 18 0.087 -2.996 -0.382 132 2HG1 VAL 18 2HG1 VAL 18 -0.952 -3.977 0.652 133 3HG1 VAL 18 3HG1 VAL 18 -0.871 -4.302 -1.079 134 1HG2 VAL 18 1HG2 VAL 18 -1.234 -0.956 0.627 135 2HG2 VAL 18 2HG2 VAL 18 -2.986 -0.945 0.431 136 3HG2 VAL 18 3HG2 VAL 18 -2.226 -2.110 1.516 137 H THR 19 H THR 19 -4.046 -2.749 -2.657 138 HA THR 19 HA THR 19 -5.302 -0.083 -2.819 139 HB THR 19 HB THR 19 -5.881 -2.515 -4.524 140 HG1 THR 19 HG1 THR 19 -4.099 -1.763 -5.411 141 1HG2 THR 19 1HG2 THR 19 -7.019 0.263 -4.565 142 2HG2 THR 19 2HG2 THR 19 -7.073 -0.818 -5.958 143 3HG2 THR 19 3HG2 THR 19 -7.879 -1.275 -4.458 144 H ILE 20 H ILE 20 -6.964 0.205 -1.476 145 HA ILE 20 HA ILE 20 -8.391 -2.100 -0.406 146 HB ILE 20 HB ILE 20 -9.006 -0.292 1.380 147 1HG1 ILE 20 1HG1 ILE 20 -7.713 1.442 0.047 148 2HG1 ILE 20 2HG1 ILE 20 -7.406 1.384 1.778 149 1HG2 ILE 20 1HG2 ILE 20 -6.439 -1.843 1.243 150 2HG2 ILE 20 2HG2 ILE 20 -6.974 -1.003 2.699 151 3HG2 ILE 20 3HG2 ILE 20 -7.951 -2.307 2.025 152 1HD1 ILE 20 1HD1 ILE 20 -5.581 -0.345 0.403 153 2HD1 ILE 20 2HD1 ILE 20 -5.543 1.271 -0.302 154 3HD1 ILE 20 3HD1 ILE 20 -5.249 1.053 1.422 155 H GLY 21 H GLY 21 -10.676 -1.795 0.037 156 1HA GLY 21 1HA GLY 21 -12.163 0.446 -0.724 157 2HA GLY 21 2HA GLY 21 -12.065 -0.622 -2.116 Start of MODEL 30 1 H ARG 4 H ARG 4 -12.695 2.721 -6.313 2 HA ARG 4 HA ARG 4 -11.943 1.860 -3.899 3 1HB ARG 4 1HB ARG 4 -11.727 0.687 -6.034 4 2HB ARG 4 2HB ARG 4 -10.478 1.811 -6.554 5 1HG ARG 4 1HG ARG 4 -9.007 0.988 -4.768 6 2HG ARG 4 2HG ARG 4 -10.261 -0.152 -4.273 7 1HD ARG 4 1HD ARG 4 -8.566 -1.230 -5.669 8 2HD ARG 4 2HD ARG 4 -10.144 -1.243 -6.453 9 HE ARG 4 HE ARG 4 -9.281 0.727 -7.753 10 1HH1 ARG 4 1HH1 ARG 4 -7.100 -1.656 -6.418 11 2HH1 ARG 4 2HH1 ARG 4 -5.875 -1.376 -7.606 12 1HH2 ARG 4 1HH2 ARG 4 -7.661 1.086 -9.318 13 2HH2 ARG 4 2HH2 ARG 4 -6.188 0.177 -9.245 14 H LYS 5 H LYS 5 -9.682 1.700 -3.015 15 HA LYS 5 HA LYS 5 -8.077 4.120 -3.347 16 1HB LYS 5 1HB LYS 5 -9.864 4.110 -1.333 17 2HB LYS 5 2HB LYS 5 -8.564 3.230 -0.547 18 1HG LYS 5 1HG LYS 5 -8.213 5.934 -1.820 19 2HG LYS 5 2HG LYS 5 -8.598 5.689 -0.116 20 1HD LYS 5 1HD LYS 5 -6.523 4.338 0.102 21 2HD LYS 5 2HD LYS 5 -6.132 4.735 -1.566 22 1HE LYS 5 1HE LYS 5 -6.480 6.719 0.673 23 2HE LYS 5 2HE LYS 5 -4.942 6.180 0.001 24 1HZ LYS 5 1HZ LYS 5 -5.765 7.054 -2.185 25 2HZ LYS 5 2HZ LYS 5 -7.043 7.779 -1.347 26 3HZ LYS 5 3HZ LYS 5 -5.449 8.233 -1.012 27 H SER 6 H SER 6 -5.907 3.791 -2.875 28 HA SER 6 HA SER 6 -5.086 1.157 -1.882 29 1HB SER 6 1HB SER 6 -3.496 2.221 -4.153 30 2HB SER 6 2HB SER 6 -3.926 0.558 -3.761 31 HG SER 6 HG SER 6 -4.985 1.969 -5.636 32 H ILE 7 H ILE 7 -2.935 1.156 -0.988 33 HA ILE 7 HA ILE 7 -1.766 3.830 -0.583 34 HB ILE 7 HB ILE 7 -1.044 2.837 1.719 35 1HG1 ILE 7 1HG1 ILE 7 -3.627 1.340 1.264 36 2HG1 ILE 7 2HG1 ILE 7 -2.027 0.608 1.256 37 1HG2 ILE 7 1HG2 ILE 7 -3.562 4.190 0.960 38 2HG2 ILE 7 2HG2 ILE 7 -3.378 3.633 2.625 39 3HG2 ILE 7 3HG2 ILE 7 -2.204 4.752 1.935 40 1HD1 ILE 7 1HD1 ILE 7 -3.210 2.062 3.607 41 2HD1 ILE 7 2HD1 ILE 7 -3.260 0.314 3.379 42 3HD1 ILE 7 3HD1 ILE 7 -1.710 1.135 3.567 43 H ARG 8 H ARG 8 0.422 3.920 -0.173 44 HA ARG 8 HA ARG 8 1.950 1.606 -1.115 45 1HB ARG 8 1HB ARG 8 3.853 3.307 -1.173 46 2HB ARG 8 2HB ARG 8 2.567 3.544 -2.343 47 1HG ARG 8 1HG ARG 8 1.609 5.306 -0.985 48 2HG ARG 8 2HG ARG 8 2.820 5.034 0.266 49 1HD ARG 8 1HD ARG 8 3.326 5.977 -2.555 50 2HD ARG 8 2HD ARG 8 3.401 6.961 -1.094 51 HE ARG 8 HE ARG 8 5.430 5.966 -0.540 52 1HH1 ARG 8 1HH1 ARG 8 4.091 4.542 -3.427 53 2HH1 ARG 8 2HH1 ARG 8 5.564 3.745 -3.868 54 1HH2 ARG 8 1HH2 ARG 8 7.363 4.920 -1.111 55 2HH2 ARG 8 2HH2 ARG 8 7.422 3.958 -2.550 56 H ILE 9 H ILE 9 2.152 0.313 0.656 57 HA ILE 9 HA ILE 9 2.474 1.429 3.259 58 HB ILE 9 HB ILE 9 2.556 -0.797 4.122 59 1HG1 ILE 9 1HG1 ILE 9 4.132 -1.666 2.295 60 2HG1 ILE 9 2HG1 ILE 9 2.903 -2.777 2.884 61 1HG2 ILE 9 1HG2 ILE 9 0.611 -0.360 1.894 62 2HG2 ILE 9 2HG2 ILE 9 0.559 -1.829 2.866 63 3HG2 ILE 9 3HG2 ILE 9 0.355 -0.255 3.637 64 1HD1 ILE 9 1HD1 ILE 9 1.555 -1.809 0.836 65 2HD1 ILE 9 2HD1 ILE 9 3.181 -1.484 0.237 66 3HD1 ILE 9 3HD1 ILE 9 2.709 -3.128 0.656 67 H GLN 10 H GLN 10 4.224 0.992 4.710 68 HA GLN 10 HA GLN 10 6.833 1.159 3.405 69 1HB GLN 10 1HB GLN 10 7.649 1.899 5.620 70 2HB GLN 10 2HB GLN 10 6.345 2.914 5.018 71 1HG GLN 10 1HG GLN 10 4.768 1.788 6.489 72 2HG GLN 10 2HG GLN 10 6.046 0.717 7.062 73 1HE2 GLN 10 2HE2 GLN 10 8.072 2.081 7.751 74 2HE2 GLN 10 1HE2 GLN 10 7.719 3.368 8.848 75 H ARG 11 H ARG 11 5.034 -1.272 4.103 76 HA ARG 11 HA ARG 11 6.914 -2.838 5.709 77 1HB ARG 11 1HB ARG 11 4.177 -2.744 5.700 78 2HB ARG 11 2HB ARG 11 4.469 -4.124 4.653 79 1HG ARG 11 1HG ARG 11 5.950 -5.030 6.520 80 2HG ARG 11 2HG ARG 11 5.249 -3.768 7.532 81 1HD ARG 11 1HD ARG 11 3.016 -4.646 7.102 82 2HD ARG 11 2HD ARG 11 3.693 -5.888 6.049 83 HE ARG 11 HE ARG 11 4.930 -6.111 8.541 84 1HH1 ARG 11 1HH1 ARG 11 1.754 -6.521 7.146 85 2HH1 ARG 11 2HH1 ARG 11 1.270 -7.727 8.292 86 1HH2 ARG 11 1HH2 ARG 11 4.293 -7.697 10.049 87 2HH2 ARG 11 2HH2 ARG 11 2.710 -8.393 9.938 88 H GLY 12 H GLY 12 6.507 -5.355 4.695 89 1HA GLY 12 1HA GLY 12 7.764 -5.121 2.049 90 2HA GLY 12 2HA GLY 12 8.030 -6.444 3.174 91 HA PRO 13 HA PRO 13 8.614 -7.586 1.285 92 1HB PRO 13 1HB PRO 13 7.957 -8.196 -1.490 93 2HB PRO 13 2HB PRO 13 8.644 -9.250 -0.254 94 1HG PRO 13 1HG PRO 13 6.126 -9.561 -1.223 95 2HG PRO 13 2HG PRO 13 6.585 -10.009 0.430 96 1HD PRO 13 1HD PRO 13 5.159 -7.558 -0.545 97 2HD PRO 13 2HD PRO 13 4.843 -8.549 0.898 98 H GLY 14 H GLY 14 9.574 -5.611 1.253 99 1HA GLY 14 1HA GLY 14 10.485 -3.693 0.380 100 2HA GLY 14 2HA GLY 14 10.058 -4.306 -1.210 101 H ARG 15 H ARG 15 9.895 -1.679 -0.968 102 HA ARG 15 HA ARG 15 7.415 -0.690 0.010 103 1HB ARG 15 1HB ARG 15 9.488 0.686 -0.372 104 2HB ARG 15 2HB ARG 15 9.200 0.544 -2.100 105 1HG ARG 15 1HG ARG 15 8.367 2.650 -1.448 106 2HG ARG 15 2HG ARG 15 6.958 1.619 -1.706 107 1HD ARG 15 1HD ARG 15 6.978 1.173 0.775 108 2HD ARG 15 2HD ARG 15 8.195 2.440 0.914 109 HE ARG 15 HE ARG 15 5.822 3.278 -0.467 110 1HH1 ARG 15 1HH1 ARG 15 7.326 2.882 2.652 111 2HH1 ARG 15 2HH1 ARG 15 6.311 4.049 3.430 112 1HH2 ARG 15 1HH2 ARG 15 4.491 4.813 0.550 113 2HH2 ARG 15 2HH2 ARG 15 4.696 5.142 2.237 114 H ALA 16 H ALA 16 5.480 -1.168 -0.835 115 HA ALA 16 HA ALA 16 5.174 -1.168 -3.750 116 1HB ALA 16 1HB ALA 16 5.558 -3.504 -3.139 117 2HB ALA 16 2HB ALA 16 4.217 -3.426 -1.996 118 3HB ALA 16 3HB ALA 16 3.913 -3.257 -3.724 119 H PHE 17 H PHE 17 2.693 -1.706 -4.158 120 HA PHE 17 HA PHE 17 1.172 0.122 -2.425 121 1HB PHE 17 1HB PHE 17 1.542 0.071 -5.289 122 2HB PHE 17 2HB PHE 17 -0.164 -0.090 -4.889 123 HD1 PHE 17 HD1 PHE 17 -1.156 1.631 -3.269 124 HD2 PHE 17 HD2 PHE 17 2.555 2.160 -5.286 125 HE1 PHE 17 HE1 PHE 17 -1.314 4.060 -2.915 126 HE2 PHE 17 HE2 PHE 17 2.404 4.591 -4.934 127 HZ PHE 17 HZ PHE 17 0.467 5.543 -3.748 128 H VAL 18 H VAL 18 -0.636 -0.584 -1.525 129 HA VAL 18 HA VAL 18 -1.765 -3.150 -2.417 130 HB VAL 18 HB VAL 18 -2.470 -3.539 -0.054 131 1HG1 VAL 18 1HG1 VAL 18 0.447 -3.357 -0.735 132 2HG1 VAL 18 2HG1 VAL 18 -0.129 -4.076 0.769 133 3HG1 VAL 18 3HG1 VAL 18 -0.611 -4.767 -0.781 134 1HG2 VAL 18 1HG2 VAL 18 -0.769 -1.107 0.429 135 2HG2 VAL 18 2HG2 VAL 18 -2.447 -1.380 0.897 136 3HG2 VAL 18 3HG2 VAL 18 -1.153 -2.275 1.692 137 H THR 19 H THR 19 -4.087 -3.387 -1.877 138 HA THR 19 HA THR 19 -5.443 -0.831 -2.339 139 HB THR 19 HB THR 19 -6.523 -3.647 -2.537 140 HG1 THR 19 HG1 THR 19 -4.790 -2.743 -4.067 141 1HG2 THR 19 1HG2 THR 19 -7.671 -1.004 -3.375 142 2HG2 THR 19 2HG2 THR 19 -8.212 -2.546 -4.038 143 3HG2 THR 19 3HG2 THR 19 -8.384 -2.221 -2.315 144 H ILE 20 H ILE 20 -7.380 -0.304 -1.214 145 HA ILE 20 HA ILE 20 -7.570 -1.456 1.493 146 HB ILE 20 HB ILE 20 -8.212 1.399 0.761 147 1HG1 ILE 20 1HG1 ILE 20 -5.675 0.314 2.001 148 2HG1 ILE 20 2HG1 ILE 20 -5.816 1.000 0.385 149 1HG2 ILE 20 1HG2 ILE 20 -8.084 -0.133 3.319 150 2HG2 ILE 20 2HG2 ILE 20 -7.774 1.600 3.314 151 3HG2 ILE 20 3HG2 ILE 20 -9.321 0.984 2.737 152 1HD1 ILE 20 1HD1 ILE 20 -6.837 2.903 2.209 153 2HD1 ILE 20 2HD1 ILE 20 -5.300 2.317 2.843 154 3HD1 ILE 20 3HD1 ILE 20 -5.382 2.997 1.219 155 H GLY 21 H GLY 21 -9.776 -1.089 2.463 156 1HA GLY 21 1HA GLY 21 -12.033 -0.405 0.980 157 2HA GLY 21 2HA GLY 21 -11.775 -2.132 0.769 Start of MODEL 31 1 H ARG 4 H ARG 4 -12.616 2.917 -6.237 2 HA ARG 4 HA ARG 4 -11.580 1.619 -4.159 3 1HB ARG 4 1HB ARG 4 -11.398 1.268 -6.677 4 2HB ARG 4 2HB ARG 4 -10.076 2.425 -6.664 5 1HG ARG 4 1HG ARG 4 -9.056 0.321 -6.654 6 2HG ARG 4 2HG ARG 4 -8.942 0.884 -4.987 7 1HD ARG 4 1HD ARG 4 -9.599 -1.470 -5.091 8 2HD ARG 4 2HD ARG 4 -10.875 -0.483 -4.382 9 HE ARG 4 HE ARG 4 -12.233 -1.147 -6.087 10 1HH1 ARG 4 1HH1 ARG 4 -8.925 -1.553 -7.118 11 2HH1 ARG 4 2HH1 ARG 4 -9.354 -2.220 -8.657 12 1HH2 ARG 4 1HH2 ARG 4 -12.800 -2.025 -8.112 13 2HH2 ARG 4 2HH2 ARG 4 -11.554 -2.488 -9.223 14 H LYS 5 H LYS 5 -9.427 1.621 -3.177 15 HA LYS 5 HA LYS 5 -8.040 4.197 -3.146 16 1HB LYS 5 1HB LYS 5 -9.697 4.145 -1.237 17 2HB LYS 5 2HB LYS 5 -8.802 2.770 -0.595 18 1HG LYS 5 1HG LYS 5 -6.803 4.148 -0.395 19 2HG LYS 5 2HG LYS 5 -7.683 5.529 -1.058 20 1HD LYS 5 1HD LYS 5 -9.211 5.480 0.839 21 2HD LYS 5 2HD LYS 5 -8.376 4.067 1.492 22 1HE LYS 5 1HE LYS 5 -6.333 5.377 1.732 23 2HE LYS 5 2HE LYS 5 -7.141 6.785 1.044 24 1HZ LYS 5 1HZ LYS 5 -8.791 6.154 3.050 25 2HZ LYS 5 2HZ LYS 5 -7.310 5.675 3.712 26 3HZ LYS 5 3HZ LYS 5 -7.524 7.268 3.185 27 H SER 6 H SER 6 -5.879 4.049 -2.525 28 HA SER 6 HA SER 6 -4.809 1.424 -1.866 29 1HB SER 6 1HB SER 6 -3.747 3.015 -4.212 30 2HB SER 6 2HB SER 6 -3.183 1.434 -3.668 31 HG SER 6 HG SER 6 -4.815 0.508 -4.666 32 H ILE 7 H ILE 7 -2.655 1.516 -0.948 33 HA ILE 7 HA ILE 7 -1.803 4.231 -0.212 34 HB ILE 7 HB ILE 7 -1.041 3.102 2.002 35 1HG1 ILE 7 1HG1 ILE 7 -3.355 1.311 1.229 36 2HG1 ILE 7 2HG1 ILE 7 -1.668 0.816 1.325 37 1HG2 ILE 7 1HG2 ILE 7 -3.197 4.670 1.295 38 2HG2 ILE 7 2HG2 ILE 7 -3.891 3.390 2.290 39 3HG2 ILE 7 3HG2 ILE 7 -2.573 4.376 2.921 40 1HD1 ILE 7 1HD1 ILE 7 -3.183 1.922 3.667 41 2HD1 ILE 7 2HD1 ILE 7 -3.108 0.203 3.283 42 3HD1 ILE 7 3HD1 ILE 7 -1.631 1.085 3.670 43 H ARG 8 H ARG 8 0.300 4.613 0.131 44 HA ARG 8 HA ARG 8 2.193 2.764 -1.055 45 1HB ARG 8 1HB ARG 8 2.635 5.484 0.209 46 2HB ARG 8 2HB ARG 8 3.813 4.579 -0.733 47 1HG ARG 8 1HG ARG 8 2.501 4.830 -2.728 48 2HG ARG 8 2HG ARG 8 1.185 5.575 -1.818 49 1HD ARG 8 1HD ARG 8 2.549 7.227 -3.033 50 2HD ARG 8 2HD ARG 8 2.575 7.480 -1.290 51 HE ARG 8 HE ARG 8 4.764 5.873 -2.076 52 1HH1 ARG 8 1HH1 ARG 8 3.613 9.160 -2.176 53 2HH1 ARG 8 2HH1 ARG 8 5.201 9.851 -2.232 54 1HH2 ARG 8 1HH2 ARG 8 6.860 6.776 -2.148 55 2HH2 ARG 8 2HH2 ARG 8 7.044 8.497 -2.217 56 H ILE 9 H ILE 9 2.269 1.056 0.407 57 HA ILE 9 HA ILE 9 2.510 1.526 3.211 58 HB ILE 9 HB ILE 9 2.563 -0.826 3.484 59 1HG1 ILE 9 1HG1 ILE 9 3.991 -0.773 0.957 60 2HG1 ILE 9 2HG1 ILE 9 3.984 -2.006 2.205 61 1HG2 ILE 9 1HG2 ILE 9 0.456 0.193 2.524 62 2HG2 ILE 9 2HG2 ILE 9 0.944 -0.484 0.972 63 3HG2 ILE 9 3HG2 ILE 9 0.628 -1.552 2.340 64 1HD1 ILE 9 1HD1 ILE 9 1.838 -2.843 1.226 65 2HD1 ILE 9 2HD1 ILE 9 2.093 -1.719 -0.111 66 3HD1 ILE 9 3HD1 ILE 9 3.256 -3.011 0.192 67 H GLN 10 H GLN 10 4.326 1.111 4.528 68 HA GLN 10 HA GLN 10 6.908 1.336 3.148 69 1HB GLN 10 1HB GLN 10 7.785 2.115 5.317 70 2HB GLN 10 2HB GLN 10 6.447 3.110 4.760 71 1HG GLN 10 1HG GLN 10 4.941 1.983 6.299 72 2HG GLN 10 2HG GLN 10 6.247 0.920 6.820 73 1HE2 GLN 10 2HE2 GLN 10 5.524 4.376 6.489 74 2HE2 GLN 10 1HE2 GLN 10 6.279 4.849 7.968 75 H ARG 11 H ARG 11 5.062 -1.043 4.014 76 HA ARG 11 HA ARG 11 7.032 -2.631 5.490 77 1HB ARG 11 1HB ARG 11 4.187 -3.355 4.764 78 2HB ARG 11 2HB ARG 11 5.221 -4.162 5.937 79 1HG ARG 11 1HG ARG 11 5.156 -2.259 7.398 80 2HG ARG 11 2HG ARG 11 4.279 -1.315 6.195 81 1HD ARG 11 1HD ARG 11 2.716 -2.075 7.841 82 2HD ARG 11 2HD ARG 11 2.420 -2.959 6.346 83 HE ARG 11 HE ARG 11 4.158 -4.488 7.892 84 1HH1 ARG 11 1HH1 ARG 11 0.880 -3.310 8.028 85 2HH1 ARG 11 2HH1 ARG 11 0.309 -4.626 8.996 86 1HH2 ARG 11 1HH2 ARG 11 3.412 -6.225 9.175 87 2HH2 ARG 11 2HH2 ARG 11 1.747 -6.281 9.649 88 H GLY 12 H GLY 12 6.413 -5.160 4.689 89 1HA GLY 12 1HA GLY 12 7.276 -5.163 1.864 90 2HA GLY 12 2HA GLY 12 7.758 -6.366 3.052 91 HA PRO 13 HA PRO 13 8.070 -7.719 1.435 92 1HB PRO 13 1HB PRO 13 7.703 -9.365 -0.644 93 2HB PRO 13 2HB PRO 13 7.436 -9.909 1.017 94 1HG PRO 13 1HG PRO 13 5.446 -9.112 -1.061 95 2HG PRO 13 2HG PRO 13 5.357 -10.414 0.138 96 1HD PRO 13 1HD PRO 13 4.146 -7.924 0.381 97 2HD PRO 13 2HD PRO 13 4.489 -9.029 1.726 98 H GLY 14 H GLY 14 9.004 -5.964 0.533 99 1HA GLY 14 1HA GLY 14 9.862 -4.912 -1.417 100 2HA GLY 14 2HA GLY 14 8.414 -5.399 -2.285 101 H ARG 15 H ARG 15 9.941 -2.768 -1.371 102 HA ARG 15 HA ARG 15 7.945 -1.251 -0.025 103 1HB ARG 15 1HB ARG 15 10.301 -0.308 -1.675 104 2HB ARG 15 2HB ARG 15 9.367 0.682 -0.562 105 1HG ARG 15 1HG ARG 15 11.024 -1.718 0.199 106 2HG ARG 15 2HG ARG 15 11.500 -0.033 0.404 107 1HD ARG 15 1HD ARG 15 9.535 0.293 1.882 108 2HD ARG 15 2HD ARG 15 9.167 -1.424 1.728 109 HE ARG 15 HE ARG 15 11.473 -1.759 2.720 110 1HH1 ARG 15 1HH1 ARG 15 9.533 1.060 3.421 111 2HH1 ARG 15 2HH1 ARG 15 10.227 1.300 4.988 112 1HH2 ARG 15 1HH2 ARG 15 12.386 -1.441 4.775 113 2HH2 ARG 15 2HH2 ARG 15 11.846 -0.121 5.757 114 H ALA 16 H ALA 16 6.007 -1.265 -1.063 115 HA ALA 16 HA ALA 16 5.764 0.390 -3.430 116 1HB ALA 16 1HB ALA 16 5.166 -2.549 -3.464 117 2HB ALA 16 2HB ALA 16 4.304 -1.433 -4.523 118 3HB ALA 16 3HB ALA 16 6.058 -1.584 -4.641 119 H PHE 17 H PHE 17 3.258 0.316 -4.068 120 HA PHE 17 HA PHE 17 1.855 0.696 -1.519 121 1HB PHE 17 1HB PHE 17 0.686 2.443 -2.425 122 2HB PHE 17 2HB PHE 17 2.142 2.548 -3.396 123 HD1 PHE 17 HD1 PHE 17 1.865 0.637 -5.463 124 HD2 PHE 17 HD2 PHE 17 -1.155 3.008 -3.609 125 HE1 PHE 17 HE1 PHE 17 0.508 0.494 -7.511 126 HE2 PHE 17 HE2 PHE 17 -2.514 2.867 -5.671 127 HZ PHE 17 HZ PHE 17 -1.685 1.608 -7.614 128 H VAL 18 H VAL 18 -0.217 -0.105 -1.192 129 HA VAL 18 HA VAL 18 -1.028 -2.255 -3.041 130 HB VAL 18 HB VAL 18 -1.994 -3.440 -1.098 131 1HG1 VAL 18 1HG1 VAL 18 0.913 -2.890 -1.339 132 2HG1 VAL 18 2HG1 VAL 18 0.345 -3.886 0.001 133 3HG1 VAL 18 3HG1 VAL 18 0.009 -4.369 -1.661 134 1HG2 VAL 18 1HG2 VAL 18 -0.998 -1.050 0.344 135 2HG2 VAL 18 2HG2 VAL 18 -2.424 -2.041 0.639 136 3HG2 VAL 18 3HG2 VAL 18 -0.834 -2.607 1.149 137 H THR 19 H THR 19 -3.369 -2.837 -2.853 138 HA THR 19 HA THR 19 -4.917 -0.359 -2.740 139 HB THR 19 HB THR 19 -5.569 -3.019 -4.019 140 HG1 THR 19 HG1 THR 19 -4.462 -2.204 -5.592 141 1HG2 THR 19 1HG2 THR 19 -7.091 -0.422 -4.082 142 2HG2 THR 19 2HG2 THR 19 -7.364 -1.771 -5.184 143 3HG2 THR 19 3HG2 THR 19 -7.653 -1.974 -3.456 144 H ILE 20 H ILE 20 -6.972 -0.304 -1.766 145 HA ILE 20 HA ILE 20 -7.290 -2.128 0.511 146 HB ILE 20 HB ILE 20 -8.421 0.654 0.371 147 1HG1 ILE 20 1HG1 ILE 20 -5.704 -0.139 1.444 148 2HG1 ILE 20 2HG1 ILE 20 -5.995 0.846 0.015 149 1HG2 ILE 20 1HG2 ILE 20 -7.922 -1.349 2.534 150 2HG2 ILE 20 2HG2 ILE 20 -8.054 0.367 2.913 151 3HG2 ILE 20 3HG2 ILE 20 -9.402 -0.468 2.145 152 1HD1 ILE 20 1HD1 ILE 20 -7.355 2.000 2.243 153 2HD1 ILE 20 2HD1 ILE 20 -5.673 1.692 2.671 154 3HD1 ILE 20 3HD1 ILE 20 -6.056 2.672 1.256 155 H GLY 21 H GLY 21 -9.572 -2.372 1.251 156 1HA GLY 21 1HA GLY 21 -11.874 -1.687 0.013 157 2HA GLY 21 2HA GLY 21 -11.265 -2.987 -1.004 Start of MODEL 32 1 H ARG 4 H ARG 4 -10.795 3.596 -6.611 2 HA ARG 4 HA ARG 4 -11.177 2.526 -4.663 3 1HB ARG 4 1HB ARG 4 -9.202 0.408 -5.564 4 2HB ARG 4 2HB ARG 4 -10.161 0.376 -4.089 5 1HG ARG 4 1HG ARG 4 -12.212 0.261 -5.466 6 2HG ARG 4 2HG ARG 4 -11.201 0.188 -6.914 7 1HD ARG 4 1HD ARG 4 -10.114 -1.855 -5.944 8 2HD ARG 4 2HD ARG 4 -11.327 -1.816 -4.661 9 HE ARG 4 HE ARG 4 -11.686 -2.745 -7.333 10 1HH1 ARG 4 1HH1 ARG 4 -13.308 -1.264 -4.631 11 2HH1 ARG 4 2HH1 ARG 4 -14.888 -1.759 -5.142 12 1HH2 ARG 4 1HH2 ARG 4 -13.753 -3.384 -8.027 13 2HH2 ARG 4 2HH2 ARG 4 -15.140 -2.967 -7.078 14 H LYS 5 H LYS 5 -10.028 2.921 -2.732 15 HA LYS 5 HA LYS 5 -7.840 4.662 -2.920 16 1HB LYS 5 1HB LYS 5 -9.019 3.089 -0.644 17 2HB LYS 5 2HB LYS 5 -7.541 4.013 -0.415 18 1HG LYS 5 1HG LYS 5 -8.673 6.052 -1.011 19 2HG LYS 5 2HG LYS 5 -10.155 5.161 -1.374 20 1HD LYS 5 1HD LYS 5 -10.335 6.184 0.814 21 2HD LYS 5 2HD LYS 5 -10.244 4.430 0.993 22 1HE LYS 5 1HE LYS 5 -7.879 4.593 1.565 23 2HE LYS 5 2HE LYS 5 -7.925 6.338 1.317 24 1HZ LYS 5 1HZ LYS 5 -9.912 5.445 3.169 25 2HZ LYS 5 2HZ LYS 5 -8.349 5.041 3.670 26 3HZ LYS 5 3HZ LYS 5 -8.744 6.653 3.344 27 H SER 6 H SER 6 -5.641 4.356 -2.529 28 HA SER 6 HA SER 6 -4.680 1.615 -2.239 29 1HB SER 6 1HB SER 6 -3.698 3.463 -4.427 30 2HB SER 6 2HB SER 6 -3.106 1.841 -4.094 31 HG SER 6 HG SER 6 -5.766 2.493 -4.865 32 H ILE 7 H ILE 7 -2.603 1.512 -1.289 33 HA ILE 7 HA ILE 7 -1.554 4.093 -0.350 34 HB ILE 7 HB ILE 7 -0.971 2.838 1.798 35 1HG1 ILE 7 1HG1 ILE 7 -3.192 1.058 0.760 36 2HG1 ILE 7 2HG1 ILE 7 -1.510 0.585 0.972 37 1HG2 ILE 7 1HG2 ILE 7 -3.472 4.081 0.944 38 2HG2 ILE 7 2HG2 ILE 7 -3.629 3.055 2.372 39 3HG2 ILE 7 3HG2 ILE 7 -2.467 4.379 2.365 40 1HD1 ILE 7 1HD1 ILE 7 -1.736 0.980 3.388 41 2HD1 ILE 7 2HD1 ILE 7 -3.444 1.360 3.144 42 3HD1 ILE 7 3HD1 ILE 7 -2.836 -0.259 2.786 43 H ARG 8 H ARG 8 0.580 4.270 0.044 44 HA ARG 8 HA ARG 8 2.309 2.239 -1.139 45 1HB ARG 8 1HB ARG 8 2.517 4.701 -1.740 46 2HB ARG 8 2HB ARG 8 3.043 4.987 -0.089 47 1HG ARG 8 1HG ARG 8 4.443 3.107 -1.969 48 2HG ARG 8 2HG ARG 8 4.860 4.810 -1.809 49 1HD ARG 8 1HD ARG 8 5.245 4.399 0.634 50 2HD ARG 8 2HD ARG 8 5.013 2.680 0.322 51 HE ARG 8 HE ARG 8 7.151 2.599 -0.454 52 1HH1 ARG 8 1HH1 ARG 8 6.037 5.893 -0.702 53 2HH1 ARG 8 2HH1 ARG 8 7.566 6.507 -1.235 54 1HH2 ARG 8 1HH2 ARG 8 9.165 3.397 -1.166 55 2HH2 ARG 8 2HH2 ARG 8 9.345 5.088 -1.495 56 H ILE 9 H ILE 9 2.281 0.681 0.470 57 HA ILE 9 HA ILE 9 2.492 1.380 3.217 58 HB ILE 9 HB ILE 9 2.432 -0.916 3.734 59 1HG1 ILE 9 1HG1 ILE 9 4.279 -1.689 2.291 60 2HG1 ILE 9 2HG1 ILE 9 2.869 -2.728 2.146 61 1HG2 ILE 9 1HG2 ILE 9 0.392 0.024 2.664 62 2HG2 ILE 9 2HG2 ILE 9 0.914 -0.700 1.142 63 3HG2 ILE 9 3HG2 ILE 9 0.538 -1.728 2.524 64 1HD1 ILE 9 1HD1 ILE 9 2.284 -1.455 0.062 65 2HD1 ILE 9 2HD1 ILE 9 3.871 -0.698 0.184 66 3HD1 ILE 9 3HD1 ILE 9 3.742 -2.442 -0.020 67 H GLN 10 H GLN 10 4.215 1.030 4.639 68 HA GLN 10 HA GLN 10 6.860 1.143 3.384 69 1HB GLN 10 1HB GLN 10 6.035 1.856 6.206 70 2HB GLN 10 2HB GLN 10 7.635 2.081 5.510 71 1HG GLN 10 1HG GLN 10 6.630 3.618 3.838 72 2HG GLN 10 2HG GLN 10 5.095 3.471 4.692 73 1HE2 GLN 10 2HE2 GLN 10 4.751 5.303 5.746 74 2HE2 GLN 10 1HE2 GLN 10 5.906 6.144 6.717 75 H ARG 11 H ARG 11 5.057 -1.265 4.269 76 HA ARG 11 HA ARG 11 6.993 -2.632 5.993 77 1HB ARG 11 1HB ARG 11 5.288 -4.301 6.349 78 2HB ARG 11 2HB ARG 11 4.561 -2.716 6.563 79 1HG ARG 11 1HG ARG 11 3.530 -2.828 4.402 80 2HG ARG 11 2HG ARG 11 4.381 -4.327 4.028 81 1HD ARG 11 1HD ARG 11 2.067 -4.760 4.660 82 2HD ARG 11 2HD ARG 11 3.190 -5.465 5.823 83 HE ARG 11 HE ARG 11 2.403 -2.885 6.665 84 1HH1 ARG 11 1HH1 ARG 11 1.206 -6.143 6.370 85 2HH1 ARG 11 2HH1 ARG 11 0.078 -5.986 7.675 86 1HH2 ARG 11 1HH2 ARG 11 0.922 -2.669 8.386 87 2HH2 ARG 11 2HH2 ARG 11 -0.083 -4.011 8.822 88 H GLY 12 H GLY 12 6.656 -5.238 5.266 89 1HA GLY 12 1HA GLY 12 7.737 -5.262 2.521 90 2HA GLY 12 2HA GLY 12 8.260 -6.357 3.791 91 HA PRO 13 HA PRO 13 8.839 -7.740 2.266 92 1HB PRO 13 1HB PRO 13 8.342 -9.299 -0.100 93 2HB PRO 13 2HB PRO 13 8.961 -9.850 1.457 94 1HG PRO 13 1HG PRO 13 6.499 -10.535 0.427 95 2HG PRO 13 2HG PRO 13 6.913 -10.573 2.149 96 1HD PRO 13 1HD PRO 13 5.399 -8.506 0.605 97 2HD PRO 13 2HD PRO 13 5.122 -9.111 2.252 98 H GLY 14 H GLY 14 9.444 -5.727 1.574 99 1HA GLY 14 1HA GLY 14 10.345 -4.390 -0.129 100 2HA GLY 14 2HA GLY 14 9.387 -5.276 -1.305 101 H ARG 15 H ARG 15 9.779 -2.369 -0.814 102 HA ARG 15 HA ARG 15 7.269 -1.347 0.141 103 1HB ARG 15 1HB ARG 15 9.440 0.056 -1.410 104 2HB ARG 15 2HB ARG 15 8.139 0.817 -0.503 105 1HG ARG 15 1HG ARG 15 9.232 -0.710 1.429 106 2HG ARG 15 2HG ARG 15 10.658 -0.380 0.439 107 1HD ARG 15 1HD ARG 15 10.205 2.011 0.583 108 2HD ARG 15 2HD ARG 15 8.763 1.679 1.544 109 HE ARG 15 HE ARG 15 10.974 0.508 2.807 110 1HH1 ARG 15 1HH1 ARG 15 9.705 3.676 2.079 111 2HH1 ARG 15 2HH1 ARG 15 10.425 4.422 3.466 112 1HH2 ARG 15 1HH2 ARG 15 11.917 1.479 4.630 113 2HH2 ARG 15 2HH2 ARG 15 11.686 3.171 4.920 114 H ALA 16 H ALA 16 5.506 -0.720 -1.054 115 HA ALA 16 HA ALA 16 5.569 -0.291 -3.869 116 1HB ALA 16 1HB ALA 16 5.663 -2.901 -3.434 117 2HB ALA 16 2HB ALA 16 3.923 -2.688 -3.247 118 3HB ALA 16 3HB ALA 16 4.715 -2.216 -4.752 119 H PHE 17 H PHE 17 3.099 -0.649 -4.650 120 HA PHE 17 HA PHE 17 1.485 0.886 -2.728 121 1HB PHE 17 1HB PHE 17 2.089 1.332 -5.502 122 2HB PHE 17 2HB PHE 17 0.355 1.090 -5.317 123 HD1 PHE 17 HD1 PHE 17 -0.743 2.430 -3.346 124 HD2 PHE 17 HD2 PHE 17 2.952 3.439 -5.201 125 HE1 PHE 17 HE1 PHE 17 -0.999 4.753 -2.579 126 HE2 PHE 17 HE2 PHE 17 2.707 5.763 -4.435 127 HZ PHE 17 HZ PHE 17 0.728 6.424 -3.122 128 H VAL 18 H VAL 18 -0.175 -0.161 -1.879 129 HA VAL 18 HA VAL 18 -1.286 -2.468 -3.340 130 HB VAL 18 HB VAL 18 -1.710 -1.955 -0.407 131 1HG1 VAL 18 1HG1 VAL 18 -2.102 -4.253 -2.267 132 2HG1 VAL 18 2HG1 VAL 18 -1.823 -4.556 -0.553 133 3HG1 VAL 18 3HG1 VAL 18 -3.198 -3.577 -1.060 134 1HG2 VAL 18 1HG2 VAL 18 0.808 -2.429 -1.503 135 2HG2 VAL 18 2HG2 VAL 18 0.334 -2.624 0.183 136 3HG2 VAL 18 3HG2 VAL 18 0.271 -4.001 -0.917 137 H THR 19 H THR 19 -3.632 -2.791 -3.074 138 HA THR 19 HA THR 19 -5.012 -0.201 -3.133 139 HB THR 19 HB THR 19 -5.992 -2.922 -4.036 140 HG1 THR 19 HG1 THR 19 -4.327 -2.222 -5.362 141 1HG2 THR 19 1HG2 THR 19 -7.180 -0.186 -4.213 142 2HG2 THR 19 2HG2 THR 19 -7.537 -1.405 -5.433 143 3HG2 THR 19 3HG2 THR 19 -7.940 -1.708 -3.743 144 H ILE 20 H ILE 20 -7.116 -0.052 -2.122 145 HA ILE 20 HA ILE 20 -7.373 -1.715 0.291 146 HB ILE 20 HB ILE 20 -8.381 1.115 0.093 147 1HG1 ILE 20 1HG1 ILE 20 -5.649 0.237 1.061 148 2HG1 ILE 20 2HG1 ILE 20 -5.973 1.214 -0.366 149 1HG2 ILE 20 1HG2 ILE 20 -7.877 -0.834 2.299 150 2HG2 ILE 20 2HG2 ILE 20 -7.922 0.898 2.624 151 3HG2 ILE 20 3HG2 ILE 20 -9.332 0.097 1.936 152 1HD1 ILE 20 1HD1 ILE 20 -7.187 2.502 1.839 153 2HD1 ILE 20 2HD1 ILE 20 -5.549 2.055 2.307 154 3HD1 ILE 20 3HD1 ILE 20 -5.815 3.040 0.868 155 H GLY 21 H GLY 21 -9.617 -1.866 1.093 156 1HA GLY 21 1HA GLY 21 -11.918 -2.045 0.826 157 2HA GLY 21 2HA GLY 21 -11.768 -1.232 -0.725 Start of MODEL 33 1 H ARG 4 H ARG 4 -12.080 4.100 -3.998 2 HA ARG 4 HA ARG 4 -11.635 1.588 -2.819 3 1HB ARG 4 1HB ARG 4 -9.925 0.828 -4.442 4 2HB ARG 4 2HB ARG 4 -11.549 0.779 -5.110 5 1HG ARG 4 1HG ARG 4 -10.274 1.634 -6.846 6 2HG ARG 4 2HG ARG 4 -10.987 3.076 -6.126 7 1HD ARG 4 1HD ARG 4 -8.896 3.471 -4.886 8 2HD ARG 4 2HD ARG 4 -8.191 2.038 -5.627 9 HE ARG 4 HE ARG 4 -8.336 4.618 -6.755 10 1HH1 ARG 4 1HH1 ARG 4 -8.663 1.255 -7.630 11 2HH1 ARG 4 2HH1 ARG 4 -8.217 1.514 -9.284 12 1HH2 ARG 4 1HH2 ARG 4 -7.754 4.959 -8.923 13 2HH2 ARG 4 2HH2 ARG 4 -7.700 3.619 -10.018 14 H LYS 5 H LYS 5 -9.316 1.501 -2.165 15 HA LYS 5 HA LYS 5 -7.979 4.116 -2.150 16 1HB LYS 5 1HB LYS 5 -9.451 3.403 -0.022 17 2HB LYS 5 2HB LYS 5 -7.984 2.519 0.360 18 1HG LYS 5 1HG LYS 5 -8.083 5.478 -0.181 19 2HG LYS 5 2HG LYS 5 -8.144 4.753 1.425 20 1HD LYS 5 1HD LYS 5 -5.941 3.701 0.984 21 2HD LYS 5 2HD LYS 5 -5.882 4.549 -0.561 22 1HE LYS 5 1HE LYS 5 -5.983 5.803 2.178 23 2HE LYS 5 2HE LYS 5 -4.596 5.761 1.087 24 1HZ LYS 5 1HZ LYS 5 -7.171 7.139 0.549 25 2HZ LYS 5 2HZ LYS 5 -5.729 7.893 1.008 26 3HZ LYS 5 3HZ LYS 5 -5.832 7.107 -0.487 27 H SER 6 H SER 6 -5.744 3.941 -2.163 28 HA SER 6 HA SER 6 -4.574 1.301 -1.756 29 1HB SER 6 1HB SER 6 -3.960 2.921 -4.222 30 2HB SER 6 2HB SER 6 -3.383 1.303 -3.835 31 HG SER 6 HG SER 6 -5.160 0.517 -4.610 32 H ILE 7 H ILE 7 -2.606 1.334 -0.803 33 HA ILE 7 HA ILE 7 -1.191 3.910 -0.652 34 HB ILE 7 HB ILE 7 -0.504 3.052 1.724 35 1HG1 ILE 7 1HG1 ILE 7 -3.246 1.810 1.457 36 2HG1 ILE 7 2HG1 ILE 7 -1.736 0.908 1.492 37 1HG2 ILE 7 1HG2 ILE 7 -2.293 4.944 0.798 38 2HG2 ILE 7 2HG2 ILE 7 -3.159 4.088 2.075 39 3HG2 ILE 7 3HG2 ILE 7 -1.591 4.822 2.413 40 1HD1 ILE 7 1HD1 ILE 7 -1.290 1.773 3.742 41 2HD1 ILE 7 2HD1 ILE 7 -2.834 2.626 3.704 42 3HD1 ILE 7 3HD1 ILE 7 -2.800 0.863 3.656 43 H ARG 8 H ARG 8 1.012 3.853 -0.357 44 HA ARG 8 HA ARG 8 2.323 1.360 -1.119 45 1HB ARG 8 1HB ARG 8 4.391 2.871 -1.167 46 2HB ARG 8 2HB ARG 8 3.177 3.149 -2.405 47 1HG ARG 8 1HG ARG 8 3.056 4.750 0.107 48 2HG ARG 8 2HG ARG 8 4.279 5.142 -1.102 49 1HD ARG 8 1HD ARG 8 2.521 5.375 -2.796 50 2HD ARG 8 2HD ARG 8 1.299 5.005 -1.583 51 HE ARG 8 HE ARG 8 2.538 7.514 -2.037 52 1HH1 ARG 8 1HH1 ARG 8 1.296 5.481 0.507 53 2HH1 ARG 8 2HH1 ARG 8 0.936 6.806 1.563 54 1HH2 ARG 8 1HH2 ARG 8 2.064 9.260 -0.657 55 2HH2 ARG 8 2HH2 ARG 8 1.370 8.954 0.901 56 H ILE 9 H ILE 9 2.585 0.069 0.625 57 HA ILE 9 HA ILE 9 2.862 1.206 3.232 58 HB ILE 9 HB ILE 9 2.909 -1.021 4.112 59 1HG1 ILE 9 1HG1 ILE 9 4.454 -1.871 2.169 60 2HG1 ILE 9 2HG1 ILE 9 3.349 -2.988 2.953 61 1HG2 ILE 9 1HG2 ILE 9 0.751 -0.186 3.376 62 2HG2 ILE 9 2HG2 ILE 9 1.016 -0.876 1.774 63 3HG2 ILE 9 3HG2 ILE 9 0.846 -1.936 3.173 64 1HD1 ILE 9 1HD1 ILE 9 1.968 -1.823 0.778 65 2HD1 ILE 9 2HD1 ILE 9 3.561 -2.319 0.211 66 3HD1 ILE 9 3HD1 ILE 9 2.499 -3.489 0.986 67 H GLN 10 H GLN 10 4.640 0.760 4.702 68 HA GLN 10 HA GLN 10 7.223 0.923 3.341 69 1HB GLN 10 1HB GLN 10 6.513 1.403 6.246 70 2HB GLN 10 2HB GLN 10 8.083 1.698 5.513 71 1HG GLN 10 1HG GLN 10 6.744 3.746 5.833 72 2HG GLN 10 2HG GLN 10 7.180 3.455 4.149 73 1HE2 GLN 10 2HE2 GLN 10 5.590 4.068 2.876 74 2HE2 GLN 10 1HE2 GLN 10 3.908 3.781 3.134 75 H ARG 11 H ARG 11 5.432 -1.524 4.164 76 HA ARG 11 HA ARG 11 7.463 -3.052 5.619 77 1HB ARG 11 1HB ARG 11 4.588 -3.708 4.951 78 2HB ARG 11 2HB ARG 11 5.674 -4.766 5.842 79 1HG ARG 11 1HG ARG 11 5.866 -3.095 7.609 80 2HG ARG 11 2HG ARG 11 4.793 -2.018 6.714 81 1HD ARG 11 1HD ARG 11 2.987 -3.630 6.891 82 2HD ARG 11 2HD ARG 11 4.057 -4.770 7.709 83 HE ARG 11 HE ARG 11 4.010 -2.351 9.139 84 1HH1 ARG 11 1HH1 ARG 11 1.959 -5.062 8.380 85 2HH1 ARG 11 2HH1 ARG 11 1.045 -4.947 9.847 86 1HH2 ARG 11 1HH2 ARG 11 2.816 -2.193 11.070 87 2HH2 ARG 11 2HH2 ARG 11 1.533 -3.315 11.376 88 H GLY 12 H GLY 12 7.326 -5.513 4.875 89 1HA GLY 12 1HA GLY 12 8.091 -5.477 2.039 90 2HA GLY 12 2HA GLY 12 8.585 -6.676 3.224 91 HA PRO 13 HA PRO 13 8.996 -8.059 1.633 92 1HB PRO 13 1HB PRO 13 8.218 -9.318 -0.861 93 2HB PRO 13 2HB PRO 13 8.951 -10.054 0.565 94 1HG PRO 13 1HG PRO 13 6.390 -10.554 -0.238 95 2HG PRO 13 2HG PRO 13 6.927 -10.666 1.447 96 1HD PRO 13 1HD PRO 13 5.449 -8.451 0.070 97 2HD PRO 13 2HD PRO 13 5.205 -9.129 1.695 98 H GLY 14 H GLY 14 9.838 -6.118 1.091 99 1HA GLY 14 1HA GLY 14 10.757 -4.601 -0.399 100 2HA GLY 14 2HA GLY 14 9.878 -5.390 -1.697 101 H ARG 15 H ARG 15 10.231 -2.549 -1.190 102 HA ARG 15 HA ARG 15 7.947 -1.351 -0.095 103 1HB ARG 15 1HB ARG 15 9.937 -0.446 -2.169 104 2HB ARG 15 2HB ARG 15 8.596 0.577 -1.674 105 1HG ARG 15 1HG ARG 15 10.410 -0.582 0.397 106 2HG ARG 15 2HG ARG 15 10.920 0.827 -0.534 107 1HD ARG 15 1HD ARG 15 8.290 0.693 0.931 108 2HD ARG 15 2HD ARG 15 9.771 1.305 1.672 109 HE ARG 15 HE ARG 15 9.435 2.664 -0.726 110 1HH1 ARG 15 1HH1 ARG 15 7.719 2.322 2.290 111 2HH1 ARG 15 2HH1 ARG 15 7.069 3.927 2.247 112 1HH2 ARG 15 1HH2 ARG 15 8.598 4.775 -0.781 113 2HH2 ARG 15 2HH2 ARG 15 7.572 5.324 0.503 114 H ALA 16 H ALA 16 5.933 -1.788 -0.699 115 HA ALA 16 HA ALA 16 5.244 -1.582 -3.543 116 1HB ALA 16 1HB ALA 16 5.563 -4.028 -2.679 117 2HB ALA 16 2HB ALA 16 3.982 -3.764 -1.943 118 3HB ALA 16 3HB ALA 16 4.177 -3.619 -3.690 119 H PHE 17 H PHE 17 2.659 -1.918 -3.574 120 HA PHE 17 HA PHE 17 1.535 -0.412 -1.335 121 1HB PHE 17 1HB PHE 17 0.780 1.350 -2.562 122 2HB PHE 17 2HB PHE 17 2.149 0.933 -3.578 123 HD1 PHE 17 HD1 PHE 17 1.389 -1.154 -5.266 124 HD2 PHE 17 HD2 PHE 17 -1.054 1.986 -3.728 125 HE1 PHE 17 HE1 PHE 17 -0.122 -1.395 -7.192 126 HE2 PHE 17 HE2 PHE 17 -2.561 1.749 -5.667 127 HZ PHE 17 HZ PHE 17 -2.099 0.059 -7.394 128 H VAL 18 H VAL 18 -0.612 -0.769 -0.901 129 HA VAL 18 HA VAL 18 -1.773 -3.102 -2.274 130 HB VAL 18 HB VAL 18 -2.552 -2.230 0.491 131 1HG1 VAL 18 1HG1 VAL 18 -2.873 -4.680 -1.172 132 2HG1 VAL 18 2HG1 VAL 18 -2.846 -4.827 0.585 133 3HG1 VAL 18 3HG1 VAL 18 -4.059 -3.814 -0.196 134 1HG2 VAL 18 1HG2 VAL 18 -0.158 -3.872 -0.288 135 2HG2 VAL 18 2HG2 VAL 18 -0.234 -2.481 0.793 136 3HG2 VAL 18 3HG2 VAL 18 -0.924 -4.026 1.292 137 H THR 19 H THR 19 -4.136 -3.160 -2.331 138 HA THR 19 HA THR 19 -5.353 -0.477 -2.389 139 HB THR 19 HB THR 19 -5.802 -2.706 -4.390 140 HG1 THR 19 HG1 THR 19 -3.875 -1.712 -4.834 141 1HG2 THR 19 1HG2 THR 19 -7.164 -0.106 -3.957 142 2HG2 THR 19 2HG2 THR 19 -6.851 -0.618 -5.614 143 3HG2 THR 19 3HG2 THR 19 -7.805 -1.641 -4.540 144 H ILE 20 H ILE 20 -6.907 -0.417 -0.888 145 HA ILE 20 HA ILE 20 -8.462 -2.816 -0.319 146 HB ILE 20 HB ILE 20 -9.003 -1.479 1.809 147 1HG1 ILE 20 1HG1 ILE 20 -7.824 0.566 0.836 148 2HG1 ILE 20 2HG1 ILE 20 -7.514 0.176 2.522 149 1HG2 ILE 20 1HG2 ILE 20 -6.385 -2.833 1.267 150 2HG2 ILE 20 2HG2 ILE 20 -6.870 -2.325 2.885 151 3HG2 ILE 20 3HG2 ILE 20 -7.836 -3.512 2.007 152 1HD1 ILE 20 1HD1 ILE 20 -5.605 -1.099 0.759 153 2HD1 ILE 20 2HD1 ILE 20 -5.631 0.654 0.555 154 3HD1 ILE 20 3HD1 ILE 20 -5.338 -0.046 2.147 155 H GLY 21 H GLY 21 -10.734 -2.421 0.320 156 1HA GLY 21 1HA GLY 21 -12.373 -0.408 0.296 157 2HA GLY 21 2HA GLY 21 -11.883 -0.329 -1.389 Start of MODEL 34 1 H ARG 4 H ARG 4 -11.896 2.924 -6.448 2 HA ARG 4 HA ARG 4 -11.736 2.190 -3.888 3 1HB ARG 4 1HB ARG 4 -9.972 0.682 -4.715 4 2HB ARG 4 2HB ARG 4 -11.297 0.819 -5.862 5 1HG ARG 4 1HG ARG 4 -9.978 2.376 -7.212 6 2HG ARG 4 2HG ARG 4 -8.649 2.251 -6.057 7 1HD ARG 4 1HD ARG 4 -8.275 0.822 -8.005 8 2HD ARG 4 2HD ARG 4 -8.441 -0.130 -6.533 9 HE ARG 4 HE ARG 4 -10.261 -1.139 -7.459 10 1HH1 ARG 4 1HH1 ARG 4 -9.728 1.886 -9.111 11 2HH1 ARG 4 2HH1 ARG 4 -10.972 1.609 -10.284 12 1HH2 ARG 4 1HH2 ARG 4 -11.893 -1.510 -9.000 13 2HH2 ARG 4 2HH2 ARG 4 -12.203 -0.321 -10.220 14 H LYS 5 H LYS 5 -9.800 1.847 -2.519 15 HA LYS 5 HA LYS 5 -8.108 4.259 -2.471 16 1HB LYS 5 1HB LYS 5 -9.246 2.581 -0.243 17 2HB LYS 5 2HB LYS 5 -7.861 3.636 0.014 18 1HG LYS 5 1HG LYS 5 -9.171 5.564 -0.641 19 2HG LYS 5 2HG LYS 5 -10.561 4.530 -0.982 20 1HD LYS 5 1HD LYS 5 -10.893 5.521 1.171 21 2HD LYS 5 2HD LYS 5 -10.513 3.816 1.417 22 1HE LYS 5 1HE LYS 5 -8.217 4.381 1.969 23 2HE LYS 5 2HE LYS 5 -8.531 6.082 1.633 24 1HZ LYS 5 1HZ LYS 5 -10.394 5.070 3.515 25 2HZ LYS 5 2HZ LYS 5 -8.814 4.786 4.048 26 3HZ LYS 5 3HZ LYS 5 -9.312 6.359 3.672 27 H SER 6 H SER 6 -5.943 4.019 -2.430 28 HA SER 6 HA SER 6 -4.815 1.402 -1.837 29 1HB SER 6 1HB SER 6 -4.090 2.926 -4.344 30 2HB SER 6 2HB SER 6 -3.454 1.362 -3.848 31 HG SER 6 HG SER 6 -5.222 0.415 -4.550 32 H ILE 7 H ILE 7 -2.910 1.532 -0.751 33 HA ILE 7 HA ILE 7 -1.755 4.229 -0.431 34 HB ILE 7 HB ILE 7 -1.068 3.390 1.881 35 1HG1 ILE 7 1HG1 ILE 7 -3.259 1.398 1.265 36 2HG1 ILE 7 2HG1 ILE 7 -1.561 1.029 1.545 37 1HG2 ILE 7 1HG2 ILE 7 -3.491 4.580 0.950 38 2HG2 ILE 7 2HG2 ILE 7 -3.812 3.606 2.384 39 3HG2 ILE 7 3HG2 ILE 7 -2.587 4.871 2.440 40 1HD1 ILE 7 1HD1 ILE 7 -3.345 2.312 3.594 41 2HD1 ILE 7 2HD1 ILE 7 -3.072 0.573 3.470 42 3HD1 ILE 7 3HD1 ILE 7 -1.726 1.654 3.831 43 H ARG 8 H ARG 8 0.401 4.432 -0.042 44 HA ARG 8 HA ARG 8 2.089 2.251 -1.007 45 1HB ARG 8 1HB ARG 8 2.429 4.492 -1.994 46 2HB ARG 8 2HB ARG 8 2.709 5.162 -0.395 47 1HG ARG 8 1HG ARG 8 4.802 4.863 -1.559 48 2HG ARG 8 2HG ARG 8 4.721 3.774 -0.175 49 1HD ARG 8 1HD ARG 8 4.210 1.913 -1.587 50 2HD ARG 8 2HD ARG 8 4.030 2.960 -2.993 51 HE ARG 8 HE ARG 8 6.633 2.972 -1.708 52 1HH1 ARG 8 1HH1 ARG 8 4.621 1.695 -4.254 53 2HH1 ARG 8 2HH1 ARG 8 5.959 1.180 -5.224 54 1HH2 ARG 8 1HH2 ARG 8 8.393 2.306 -2.983 55 2HH2 ARG 8 2HH2 ARG 8 8.103 1.527 -4.502 56 H ILE 9 H ILE 9 2.136 0.884 0.766 57 HA ILE 9 HA ILE 9 2.418 1.903 3.413 58 HB ILE 9 HB ILE 9 2.377 -0.327 4.188 59 1HG1 ILE 9 1HG1 ILE 9 4.172 -1.244 2.744 60 2HG1 ILE 9 2HG1 ILE 9 2.773 -2.303 2.822 61 1HG2 ILE 9 1HG2 ILE 9 0.449 0.617 2.492 62 2HG2 ILE 9 2HG2 ILE 9 0.770 -0.994 1.851 63 3HG2 ILE 9 3HG2 ILE 9 0.296 -0.795 3.537 64 1HD1 ILE 9 1HD1 ILE 9 2.046 -1.255 0.629 65 2HD1 ILE 9 2HD1 ILE 9 3.670 -0.570 0.557 66 3HD1 ILE 9 3HD1 ILE 9 3.455 -2.317 0.588 67 H GLN 10 H GLN 10 4.205 1.699 4.812 68 HA GLN 10 HA GLN 10 6.786 1.698 3.435 69 1HB GLN 10 1HB GLN 10 6.070 2.593 6.237 70 2HB GLN 10 2HB GLN 10 7.650 2.757 5.485 71 1HG GLN 10 1HG GLN 10 6.695 4.243 3.796 72 2HG GLN 10 2HG GLN 10 5.110 4.079 4.549 73 1HE2 GLN 10 2HE2 GLN 10 5.263 4.509 7.036 74 2HE2 GLN 10 1HE2 GLN 10 6.076 5.972 7.459 75 H ARG 11 H ARG 11 5.038 -0.648 4.576 76 HA ARG 11 HA ARG 11 7.074 -1.909 6.261 77 1HB ARG 11 1HB ARG 11 5.354 -3.613 6.721 78 2HB ARG 11 2HB ARG 11 4.783 -1.995 7.106 79 1HG ARG 11 1HG ARG 11 3.547 -1.932 4.998 80 2HG ARG 11 2HG ARG 11 4.123 -3.554 4.613 81 1HD ARG 11 1HD ARG 11 2.411 -2.794 6.980 82 2HD ARG 11 2HD ARG 11 1.847 -3.592 5.514 83 HE ARG 11 HE ARG 11 3.262 -4.795 7.716 84 1HH1 ARG 11 1HH1 ARG 11 2.432 -5.076 4.341 85 2HH1 ARG 11 2HH1 ARG 11 2.635 -6.795 4.304 86 1HH2 ARG 11 1HH2 ARG 11 3.532 -7.055 7.673 87 2HH2 ARG 11 2HH2 ARG 11 3.259 -7.919 6.196 88 H GLY 12 H GLY 12 6.870 -4.528 5.760 89 1HA GLY 12 1HA GLY 12 7.854 -4.702 3.001 90 2HA GLY 12 2HA GLY 12 8.215 -5.841 4.289 91 HA PRO 13 HA PRO 13 8.715 -7.184 2.519 92 1HB PRO 13 1HB PRO 13 8.480 -8.470 0.169 93 2HB PRO 13 2HB PRO 13 8.174 -9.281 1.710 94 1HG PRO 13 1HG PRO 13 6.218 -8.141 -0.251 95 2HG PRO 13 2HG PRO 13 6.149 -9.677 0.633 96 1HD PRO 13 1HD PRO 13 4.784 -7.433 1.393 97 2HD PRO 13 2HD PRO 13 5.318 -8.686 2.530 98 H GLY 14 H GLY 14 9.584 -5.229 2.033 99 1HA GLY 14 1HA GLY 14 10.382 -3.528 0.704 100 2HA GLY 14 2HA GLY 14 9.746 -4.399 -0.684 101 H ARG 15 H ARG 15 9.618 -1.688 -0.695 102 HA ARG 15 HA ARG 15 7.070 -0.787 0.309 103 1HB ARG 15 1HB ARG 15 9.187 0.508 -1.406 104 2HB ARG 15 2HB ARG 15 7.647 1.286 -1.078 105 1HG ARG 15 1HG ARG 15 9.317 2.126 0.433 106 2HG ARG 15 2HG ARG 15 8.125 1.189 1.333 107 1HD ARG 15 1HD ARG 15 9.660 -0.730 1.338 108 2HD ARG 15 2HD ARG 15 10.850 0.231 0.460 109 HE ARG 15 HE ARG 15 9.893 1.144 3.080 110 1HH1 ARG 15 1HH1 ARG 15 12.483 -0.036 1.058 111 2HH1 ARG 15 2HH1 ARG 15 13.719 0.347 2.210 112 1HH2 ARG 15 1HH2 ARG 15 11.520 1.638 4.595 113 2HH2 ARG 15 2HH2 ARG 15 13.174 1.295 4.214 114 H ALA 16 H ALA 16 5.191 -0.638 -0.761 115 HA ALA 16 HA ALA 16 5.017 -0.749 -3.630 116 1HB ALA 16 1HB ALA 16 5.358 -3.161 -2.857 117 2HB ALA 16 2HB ALA 16 3.730 -3.047 -2.187 118 3HB ALA 16 3HB ALA 16 3.988 -2.836 -3.918 119 H PHE 17 H PHE 17 2.555 -1.148 -4.200 120 HA PHE 17 HA PHE 17 1.025 0.598 -2.393 121 1HB PHE 17 1HB PHE 17 1.395 0.597 -5.266 122 2HB PHE 17 2HB PHE 17 -0.313 0.499 -4.852 123 HD1 PHE 17 HD1 PHE 17 -1.234 2.229 -3.210 124 HD2 PHE 17 HD2 PHE 17 2.512 2.634 -5.193 125 HE1 PHE 17 HE1 PHE 17 -1.278 4.656 -2.793 126 HE2 PHE 17 HE2 PHE 17 2.476 5.059 -4.777 127 HZ PHE 17 HZ PHE 17 0.579 6.073 -3.577 128 H VAL 18 H VAL 18 -0.636 -0.245 -1.358 129 HA VAL 18 HA VAL 18 -1.811 -2.738 -2.401 130 HB VAL 18 HB VAL 18 -2.559 -3.174 -0.042 131 1HG1 VAL 18 1HG1 VAL 18 -0.638 -4.280 -1.111 132 2HG1 VAL 18 2HG1 VAL 18 0.422 -3.033 -0.451 133 3HG1 VAL 18 3HG1 VAL 18 -0.449 -4.115 0.635 134 1HG2 VAL 18 1HG2 VAL 18 -0.677 -0.892 0.540 135 2HG2 VAL 18 2HG2 VAL 18 -2.393 -0.995 0.926 136 3HG2 VAL 18 3HG2 VAL 18 -1.240 -2.043 1.750 137 H THR 19 H THR 19 -3.970 -2.903 -2.583 138 HA THR 19 HA THR 19 -5.466 -0.396 -2.292 139 HB THR 19 HB THR 19 -6.144 -2.882 -3.882 140 HG1 THR 19 HG1 THR 19 -4.708 -2.049 -5.171 141 1HG2 THR 19 1HG2 THR 19 -8.128 -1.557 -3.271 142 2HG2 THR 19 2HG2 THR 19 -7.383 -0.144 -4.021 143 3HG2 THR 19 3HG2 THR 19 -7.798 -1.549 -5.003 144 H ILE 20 H ILE 20 -7.368 -0.287 -1.134 145 HA ILE 20 HA ILE 20 -8.006 -2.589 0.551 146 HB ILE 20 HB ILE 20 -9.203 -0.425 1.757 147 1HG1 ILE 20 1HG1 ILE 20 -7.859 1.039 0.231 148 2HG1 ILE 20 2HG1 ILE 20 -7.599 1.332 1.944 149 1HG2 ILE 20 1HG2 ILE 20 -6.532 -1.690 2.346 150 2HG2 ILE 20 2HG2 ILE 20 -7.454 -0.699 3.476 151 3HG2 ILE 20 3HG2 ILE 20 -8.107 -2.240 2.918 152 1HD1 ILE 20 1HD1 ILE 20 -5.693 -0.583 1.118 153 2HD1 ILE 20 2HD1 ILE 20 -5.691 0.724 -0.064 154 3HD1 ILE 20 3HD1 ILE 20 -5.427 1.079 1.642 155 H GLY 21 H GLY 21 -10.283 -2.780 1.220 156 1HA GLY 21 1HA GLY 21 -12.347 -1.414 -0.179 157 2HA GLY 21 2HA GLY 21 -12.027 -2.978 -0.914 Start of MODEL 35 1 H ARG 4 H ARG 4 -11.723 3.784 -5.429 2 HA ARG 4 HA ARG 4 -11.409 1.622 -3.782 3 1HB ARG 4 1HB ARG 4 -9.685 1.502 -6.273 4 2HB ARG 4 2HB ARG 4 -9.405 0.569 -4.812 5 1HG ARG 4 1HG ARG 4 -11.790 0.338 -6.644 6 2HG ARG 4 2HG ARG 4 -10.444 -0.794 -6.525 7 1HD ARG 4 1HD ARG 4 -12.185 -1.760 -5.268 8 2HD ARG 4 2HD ARG 4 -11.080 -1.074 -4.082 9 HE ARG 4 HE ARG 4 -12.747 0.330 -3.409 10 1HH1 ARG 4 1HH1 ARG 4 -13.536 -0.896 -6.577 11 2HH1 ARG 4 2HH1 ARG 4 -15.134 -0.229 -6.575 12 1HH2 ARG 4 1HH2 ARG 4 -14.849 1.204 -3.402 13 2HH2 ARG 4 2HH2 ARG 4 -15.880 0.962 -4.771 14 H LYS 5 H LYS 5 -9.165 1.714 -2.839 15 HA LYS 5 HA LYS 5 -7.986 4.408 -3.053 16 1HB LYS 5 1HB LYS 5 -9.342 4.049 -0.935 17 2HB LYS 5 2HB LYS 5 -8.197 2.782 -0.514 18 1HG LYS 5 1HG LYS 5 -6.420 4.654 -0.835 19 2HG LYS 5 2HG LYS 5 -7.795 5.740 -0.625 20 1HD LYS 5 1HD LYS 5 -6.836 3.633 1.314 21 2HD LYS 5 2HD LYS 5 -6.703 5.382 1.502 22 1HE LYS 5 1HE LYS 5 -9.152 5.547 1.537 23 2HE LYS 5 2HE LYS 5 -9.264 3.795 1.387 24 1HZ LYS 5 1HZ LYS 5 -7.836 3.770 3.488 25 2HZ LYS 5 2HZ LYS 5 -8.290 5.390 3.668 26 3HZ LYS 5 3HZ LYS 5 -9.468 4.178 3.647 27 H SER 6 H SER 6 -5.710 4.447 -2.751 28 HA SER 6 HA SER 6 -4.396 1.867 -2.428 29 1HB SER 6 1HB SER 6 -3.718 3.692 -4.732 30 2HB SER 6 2HB SER 6 -3.021 2.113 -4.391 31 HG SER 6 HG SER 6 -4.670 1.200 -5.315 32 H ILE 7 H ILE 7 -2.576 1.969 -1.237 33 HA ILE 7 HA ILE 7 -1.356 4.614 -0.822 34 HB ILE 7 HB ILE 7 -0.871 3.642 1.572 35 1HG1 ILE 7 1HG1 ILE 7 -3.519 2.341 0.908 36 2HG1 ILE 7 2HG1 ILE 7 -1.993 1.484 1.106 37 1HG2 ILE 7 1HG2 ILE 7 -2.752 5.459 0.507 38 2HG2 ILE 7 2HG2 ILE 7 -3.519 4.583 1.834 39 3HG2 ILE 7 3HG2 ILE 7 -2.000 5.434 2.106 40 1HD1 ILE 7 1HD1 ILE 7 -1.880 2.253 3.427 41 2HD1 ILE 7 2HD1 ILE 7 -3.437 3.063 3.219 42 3HD1 ILE 7 3HD1 ILE 7 -3.334 1.305 3.100 43 H ARG 8 H ARG 8 0.782 4.709 -0.344 44 HA ARG 8 HA ARG 8 2.388 2.404 -1.112 45 1HB ARG 8 1HB ARG 8 3.254 5.195 -0.306 46 2HB ARG 8 2HB ARG 8 4.271 3.958 -1.029 47 1HG ARG 8 1HG ARG 8 1.979 4.453 -2.695 48 2HG ARG 8 2HG ARG 8 2.811 5.963 -2.333 49 1HD ARG 8 1HD ARG 8 4.617 3.769 -3.033 50 2HD ARG 8 2HD ARG 8 3.489 4.189 -4.317 51 HE ARG 8 HE ARG 8 4.645 6.126 -4.645 52 1HH1 ARG 8 1HH1 ARG 8 5.520 4.873 -1.507 53 2HH1 ARG 8 2HH1 ARG 8 6.734 6.072 -1.231 54 1HH2 ARG 8 1HH2 ARG 8 6.250 7.688 -4.290 55 2HH2 ARG 8 2HH2 ARG 8 7.152 7.669 -2.811 56 H ILE 9 H ILE 9 2.384 0.955 0.569 57 HA ILE 9 HA ILE 9 2.402 1.867 3.282 58 HB ILE 9 HB ILE 9 2.449 -0.455 3.932 59 1HG1 ILE 9 1HG1 ILE 9 3.952 -0.845 1.597 60 2HG1 ILE 9 2HG1 ILE 9 3.446 -2.077 2.745 61 1HG2 ILE 9 1HG2 ILE 9 0.692 -0.018 1.523 62 2HG2 ILE 9 2HG2 ILE 9 0.470 -1.288 2.724 63 3HG2 ILE 9 3HG2 ILE 9 0.315 0.404 3.194 64 1HD1 ILE 9 1HD1 ILE 9 1.771 -1.224 0.406 65 2HD1 ILE 9 2HD1 ILE 9 2.938 -2.543 0.341 66 3HD1 ILE 9 3HD1 ILE 9 1.561 -2.639 1.437 67 H GLN 10 H GLN 10 4.085 1.258 4.857 68 HA GLN 10 HA GLN 10 6.768 1.437 3.677 69 1HB GLN 10 1HB GLN 10 5.780 2.039 6.473 70 2HB GLN 10 2HB GLN 10 7.472 2.097 5.996 71 1HG GLN 10 1HG GLN 10 6.371 4.309 6.058 72 2HG GLN 10 2HG GLN 10 7.051 3.903 4.482 73 1HE2 GLN 10 2HE2 GLN 10 5.798 4.701 2.961 74 2HE2 GLN 10 1HE2 GLN 10 4.074 4.624 2.917 75 H ARG 11 H ARG 11 4.846 -0.942 4.372 76 HA ARG 11 HA ARG 11 6.693 -2.545 5.985 77 1HB ARG 11 1HB ARG 11 4.225 -2.444 6.518 78 2HB ARG 11 2HB ARG 11 3.929 -3.277 4.998 79 1HG ARG 11 1HG ARG 11 5.111 -5.222 5.766 80 2HG ARG 11 2HG ARG 11 5.609 -4.386 7.240 81 1HD ARG 11 1HD ARG 11 3.235 -4.180 7.881 82 2HD ARG 11 2HD ARG 11 2.785 -5.086 6.435 83 HE ARG 11 HE ARG 11 4.617 -6.634 7.835 84 1HH1 ARG 11 1HH1 ARG 11 1.414 -5.340 8.313 85 2HH1 ARG 11 2HH1 ARG 11 0.910 -6.629 9.355 86 1HH2 ARG 11 1HH2 ARG 11 3.958 -8.335 9.204 87 2HH2 ARG 11 2HH2 ARG 11 2.356 -8.332 9.861 88 H GLY 12 H GLY 12 7.024 -4.838 5.266 89 1HA GLY 12 1HA GLY 12 7.672 -4.860 2.405 90 2HA GLY 12 2HA GLY 12 8.348 -5.918 3.629 91 HA PRO 13 HA PRO 13 8.919 -7.363 2.162 92 1HB PRO 13 1HB PRO 13 8.267 -8.796 -0.284 93 2HB PRO 13 2HB PRO 13 9.126 -9.378 1.143 94 1HG PRO 13 1HG PRO 13 6.639 -10.243 0.440 95 2HG PRO 13 2HG PRO 13 7.220 -10.199 2.115 96 1HD PRO 13 1HD PRO 13 5.428 -8.275 0.676 97 2HD PRO 13 2HD PRO 13 5.314 -8.893 2.339 98 H GLY 14 H GLY 14 9.741 -5.514 1.434 99 1HA GLY 14 1HA GLY 14 10.495 -4.041 -0.198 100 2HA GLY 14 2HA GLY 14 9.417 -4.807 -1.353 101 H ARG 15 H ARG 15 10.019 -1.959 0.047 102 HA ARG 15 HA ARG 15 7.525 -1.048 0.965 103 1HB ARG 15 1HB ARG 15 9.762 0.506 -0.341 104 2HB ARG 15 2HB ARG 15 8.407 1.217 0.527 105 1HG ARG 15 1HG ARG 15 9.409 -0.577 2.348 106 2HG ARG 15 2HG ARG 15 10.862 0.021 1.544 107 1HD ARG 15 1HD ARG 15 10.194 2.313 2.011 108 2HD ARG 15 2HD ARG 15 8.703 1.736 2.755 109 HE ARG 15 HE ARG 15 9.878 1.364 4.671 110 1HH1 ARG 15 1HH1 ARG 15 12.136 1.458 2.014 111 2HH1 ARG 15 2HH1 ARG 15 13.531 1.299 3.030 112 1HH2 ARG 15 1HH2 ARG 15 11.705 1.151 6.008 113 2HH2 ARG 15 2HH2 ARG 15 13.286 1.124 5.301 114 H ALA 16 H ALA 16 5.809 -1.507 -0.289 115 HA ALA 16 HA ALA 16 5.714 -0.252 -2.955 116 1HB ALA 16 1HB ALA 16 5.942 -2.863 -2.842 117 2HB ALA 16 2HB ALA 16 4.220 -2.789 -2.464 118 3HB ALA 16 3HB ALA 16 4.822 -2.110 -3.977 119 H PHE 17 H PHE 17 3.236 -0.433 -3.682 120 HA PHE 17 HA PHE 17 1.681 0.583 -1.406 121 1HB PHE 17 1HB PHE 17 0.903 2.355 -2.618 122 2HB PHE 17 2HB PHE 17 2.433 2.136 -3.443 123 HD1 PHE 17 HD1 PHE 17 2.141 0.156 -5.370 124 HD2 PHE 17 HD2 PHE 17 -0.820 2.892 -3.983 125 HE1 PHE 17 HE1 PHE 17 0.947 -0.067 -7.507 126 HE2 PHE 17 HE2 PHE 17 -2.020 2.669 -6.131 127 HZ PHE 17 HZ PHE 17 -1.138 1.189 -7.890 128 H VAL 18 H VAL 18 -0.460 0.024 -1.226 129 HA VAL 18 HA VAL 18 -1.305 -2.247 -2.906 130 HB VAL 18 HB VAL 18 -2.345 -1.709 -0.139 131 1HG1 VAL 18 1HG1 VAL 18 -2.360 -4.049 -2.002 132 2HG1 VAL 18 2HG1 VAL 18 -2.572 -4.269 -0.266 133 3HG1 VAL 18 3HG1 VAL 18 -3.709 -3.273 -1.171 134 1HG2 VAL 18 1HG2 VAL 18 0.230 -2.992 -0.921 135 2HG2 VAL 18 2HG2 VAL 18 -0.135 -1.929 0.438 136 3HG2 VAL 18 3HG2 VAL 18 -0.662 -3.611 0.470 137 H THR 19 H THR 19 -3.640 -2.476 -3.161 138 HA THR 19 HA THR 19 -5.029 0.122 -3.169 139 HB THR 19 HB THR 19 -5.252 -2.122 -5.191 140 HG1 THR 19 HG1 THR 19 -3.417 -1.031 -5.648 141 1HG2 THR 19 1HG2 THR 19 -6.678 0.511 -4.995 142 2HG2 THR 19 2HG2 THR 19 -6.495 -0.364 -6.515 143 3HG2 THR 19 3HG2 THR 19 -7.367 -1.104 -5.171 144 H ILE 20 H ILE 20 -6.513 0.029 -1.569 145 HA ILE 20 HA ILE 20 -7.929 -2.463 -1.061 146 HB ILE 20 HB ILE 20 -8.679 -1.078 1.008 147 1HG1 ILE 20 1HG1 ILE 20 -7.510 0.978 0.011 148 2HG1 ILE 20 2HG1 ILE 20 -7.294 0.656 1.728 149 1HG2 ILE 20 1HG2 ILE 20 -5.972 -2.316 0.636 150 2HG2 ILE 20 2HG2 ILE 20 -6.593 -1.820 2.210 151 3HG2 ILE 20 3HG2 ILE 20 -7.430 -3.068 1.286 152 1HD1 ILE 20 1HD1 ILE 20 -5.250 -0.624 0.125 153 2HD1 ILE 20 2HD1 ILE 20 -5.304 1.121 -0.131 154 3HD1 ILE 20 3HD1 ILE 20 -5.095 0.475 1.494 155 H GLY 21 H GLY 21 -10.242 -2.092 -0.223 156 1HA GLY 21 1HA GLY 21 -12.181 -0.595 -0.340 157 2HA GLY 21 2HA GLY 21 -11.552 -0.026 -1.879
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