NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
634226 | 5z26 | 36147 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H ARG 1 1.105 -0.260 0.154 2 HA ARG 1 HA ARG 1 1.091 2.275 -1.215 3 HB2 ARG 1 2HB ARG 1 3.274 0.603 0.021 4 HB3 ARG 1 3HB ARG 1 3.604 2.103 -0.835 5 HG2 ARG 1 2HG ARG 1 1.809 1.853 1.569 6 HG3 ARG 1 3HG ARG 1 3.491 2.386 1.606 7 HD2 ARG 1 2HD ARG 1 2.859 4.220 0.031 8 HD3 ARG 1 3HD ARG 1 1.176 3.733 0.225 9 HE ARG 1 HE ARG 1 2.727 5.281 2.043 10 HH11 ARG 1 1HH1 ARG 1 0.173 2.922 1.861 11 HH12 ARG 1 2HH1 ARG 1 -0.557 3.406 3.355 12 HH21 ARG 1 1HH2 ARG 1 1.774 5.927 4.012 13 HH22 ARG 1 2HH2 ARG 1 0.354 5.116 4.578 14 H GLY 2 H GLY 2 0.207 0.163 -2.866 15 HA2 GLY 2 2HA GLY 2 2.186 -0.932 -4.527 16 HA3 GLY 2 3HA GLY 2 0.508 -0.675 -4.981 17 H LEU 3 H LEU 3 2.732 -0.396 -6.721 18 HA LEU 3 HA LEU 3 3.263 2.425 -7.027 19 HB2 LEU 3 2HB LEU 3 4.727 0.311 -7.643 20 HB3 LEU 3 3HB LEU 3 3.865 0.455 -9.173 21 HG LEU 3 HG LEU 3 5.948 1.566 -9.422 22 HD11 LEU 3 1HD1 LEU 3 5.263 3.842 -9.923 23 HD12 LEU 3 2HD1 LEU 3 3.818 3.643 -8.932 24 HD13 LEU 3 3HD1 LEU 3 4.012 2.696 -10.407 25 HD21 LEU 3 1HD2 LEU 3 5.315 2.661 -6.728 26 HD22 LEU 3 2HD2 LEU 3 6.294 3.633 -7.827 27 HD23 LEU 3 3HD2 LEU 3 6.832 2.019 -7.361 28 H ARG 4 H ARG 4 0.708 2.523 -7.081 29 HA ARG 4 HA ARG 4 -0.096 2.521 -9.917 30 HB2 ARG 4 2HB ARG 4 -1.316 0.940 -8.315 31 HB3 ARG 4 3HB ARG 4 -2.008 2.386 -7.594 32 HG2 ARG 4 2HG ARG 4 -2.863 2.989 -9.880 33 HG3 ARG 4 3HG ARG 4 -2.363 1.379 -10.403 34 HD2 ARG 4 2HD ARG 4 -4.704 1.340 -9.835 35 HD3 ARG 4 3HD ARG 4 -3.801 0.404 -8.645 36 HE ARG 4 HE ARG 4 -4.153 3.097 -7.801 37 HH11 ARG 4 1HH1 ARG 4 -5.790 0.039 -8.095 38 HH12 ARG 4 2HH1 ARG 4 -6.896 0.358 -6.800 39 HH21 ARG 4 1HH2 ARG 4 -5.603 3.529 -6.094 40 HH22 ARG 4 2HH2 ARG 4 -6.789 2.344 -5.663 41 H ARG 5 H ARG 5 0.027 4.288 -6.912 42 HA ARG 5 HA ARG 5 -1.076 6.652 -8.282 43 HB2 ARG 5 2HB ARG 5 -1.129 5.810 -5.395 44 HB3 ARG 5 3HB ARG 5 -1.372 7.489 -5.859 45 HG2 ARG 5 2HG ARG 5 -3.018 5.474 -7.259 46 HG3 ARG 5 3HG ARG 5 -3.374 5.756 -5.553 47 HD2 ARG 5 2HD ARG 5 -3.237 7.877 -7.694 48 HD3 ARG 5 3HD ARG 5 -4.718 7.186 -7.030 49 HE ARG 5 HE ARG 5 -3.051 9.187 -5.827 50 HH11 ARG 5 1HH1 ARG 5 -5.340 6.636 -5.210 51 HH12 ARG 5 2HH1 ARG 5 -5.853 7.288 -3.689 52 HH21 ARG 5 1HH2 ARG 5 -3.719 10.054 -3.826 53 HH22 ARG 5 2HH2 ARG 5 -4.932 9.232 -2.903 54 H LEU 6 H LEU 6 1.624 5.320 -6.569 55 HA LEU 6 HA LEU 6 2.938 7.830 -6.097 56 HB2 LEU 6 2HB LEU 6 3.360 5.054 -5.451 57 HB3 LEU 6 3HB LEU 6 4.849 5.788 -6.045 58 HG LEU 6 HG LEU 6 4.589 5.813 -3.564 59 HD11 LEU 6 1HD1 LEU 6 5.854 7.653 -3.483 60 HD12 LEU 6 2HD1 LEU 6 4.598 8.665 -4.196 61 HD13 LEU 6 3HD1 LEU 6 5.645 7.698 -5.234 62 HD21 LEU 6 1HD2 LEU 6 2.970 7.070 -2.483 63 HD22 LEU 6 2HD2 LEU 6 2.064 6.323 -3.799 64 HD23 LEU 6 3HD2 LEU 6 2.583 8.004 -3.928 65 H GLY 7 H GLY 7 2.792 5.521 -8.679 66 HA2 GLY 7 2HA GLY 7 5.177 5.972 -10.018 67 HA3 GLY 7 3HA GLY 7 3.658 5.569 -10.804 68 H ARG 8 H ARG 8 2.219 7.904 -10.058 69 HA ARG 8 HA ARG 8 3.198 9.692 -12.083 70 HB2 ARG 8 2HB ARG 8 1.176 11.038 -11.482 71 HB3 ARG 8 3HB ARG 8 0.828 9.376 -11.936 72 HG2 ARG 8 2HG ARG 8 0.434 8.749 -9.686 73 HG3 ARG 8 3HG ARG 8 1.084 10.273 -9.080 74 HD2 ARG 8 2HD ARG 8 -1.394 9.994 -10.777 75 HD3 ARG 8 3HD ARG 8 -1.384 10.185 -9.025 76 HE ARG 8 HE ARG 8 0.026 12.325 -9.876 77 HH11 ARG 8 1HH1 ARG 8 -3.084 11.022 -10.744 78 HH12 ARG 8 2HH1 ARG 8 -3.761 12.564 -11.152 79 HH21 ARG 8 1HH2 ARG 8 -0.853 14.360 -10.412 80 HH22 ARG 8 2HH2 ARG 8 -2.491 14.462 -10.964 81 H LYS 9 H LYS 9 3.332 9.501 -8.628 82 HA LYS 9 HA LYS 9 4.014 12.273 -8.235 83 HB2 LYS 9 2HB LYS 9 2.879 11.178 -6.437 84 HB3 LYS 9 3HB LYS 9 4.049 9.865 -6.415 85 HG2 LYS 9 2HG LYS 9 5.689 11.181 -5.413 86 HG3 LYS 9 3HG LYS 9 4.876 12.687 -5.846 87 HD2 LYS 9 2HD LYS 9 3.263 12.435 -4.181 88 HD3 LYS 9 3HD LYS 9 3.569 10.704 -4.015 89 HE2 LYS 9 2HE LYS 9 5.607 11.079 -2.878 90 HE3 LYS 9 3HE LYS 9 5.627 12.785 -3.322 91 HZ1 LYS 9 1HZ LYS 9 4.740 13.109 -1.319 92 HZ2 LYS 9 2HZ LYS 9 4.318 11.483 -1.122 93 HZ3 LYS 9 3HZ LYS 9 3.293 12.525 -1.974 94 H ILE 10 H ILE 10 5.693 9.308 -8.859 95 HA ILE 10 HA ILE 10 8.274 10.572 -8.255 96 HB ILE 10 HB ILE 10 7.748 7.680 -8.941 97 HG12 ILE 10 2HG1 ILE 10 8.186 8.925 -6.218 98 HG13 ILE 10 3HG1 ILE 10 6.626 8.390 -6.834 99 HG21 ILE 10 1HG2 ILE 10 9.952 7.323 -8.773 100 HG22 ILE 10 2HG2 ILE 10 10.099 9.062 -9.019 101 HG23 ILE 10 3HG2 ILE 10 10.117 8.398 -7.385 102 HD11 ILE 10 1HD1 ILE 10 7.839 6.825 -5.264 103 HD12 ILE 10 2HD1 ILE 10 7.269 6.133 -6.784 104 HD13 ILE 10 3HD1 ILE 10 8.973 6.540 -6.584 105 H ALA 11 H ALA 11 7.055 8.318 -10.740 106 HA ALA 11 HA ALA 11 7.631 9.995 -12.928 107 HB1 ALA 11 1HB ALA 11 9.563 8.160 -13.594 108 HB2 ALA 11 2HB ALA 11 9.854 9.803 -13.020 109 HB3 ALA 11 3HB ALA 11 9.874 8.455 -11.883 110 H HIS 12 H HIS 12 6.160 9.327 -14.334 111 HA HIS 12 HA HIS 12 4.756 6.950 -14.252 112 HB2 HIS 12 2HB HIS 12 4.033 8.932 -15.525 113 HB3 HIS 12 3HB HIS 12 5.318 8.646 -16.694 114 HD1 HIS 12 HD1 HIS 12 2.220 6.896 -15.364 115 HD2 HIS 12 HD2 HIS 12 4.588 7.061 -18.774 116 HE1 HIS 12 HE1 HIS 12 1.037 5.481 -17.073 117 H GLY 13 H GLY 13 5.670 4.989 -14.278 118 HA2 GLY 13 2HA GLY 13 6.446 3.151 -15.573 119 HA3 GLY 13 3HA GLY 13 7.287 4.282 -16.623 120 H VAL 14 H VAL 14 7.534 4.672 -13.194 121 HA VAL 14 HA VAL 14 10.370 3.967 -13.354 122 HB VAL 14 HB VAL 14 9.621 6.194 -12.418 123 HG11 VAL 14 1HG1 VAL 14 8.246 6.344 -10.669 124 HG12 VAL 14 2HG1 VAL 14 7.903 4.631 -10.919 125 HG13 VAL 14 3HG1 VAL 14 9.141 5.124 -9.763 126 HG21 VAL 14 1HG2 VAL 14 11.547 4.300 -11.315 127 HG22 VAL 14 2HG2 VAL 14 11.751 5.995 -11.758 128 HG23 VAL 14 3HG2 VAL 14 11.085 5.570 -10.181 129 H LYS 15 H LYS 15 8.255 1.936 -13.224 130 HA LYS 15 HA LYS 15 7.850 0.806 -10.744 131 HB2 LYS 15 2HB LYS 15 7.578 -1.332 -11.903 132 HB3 LYS 15 3HB LYS 15 6.800 -0.029 -12.792 133 HG2 LYS 15 2HG LYS 15 8.872 0.078 -14.220 134 HG3 LYS 15 3HG LYS 15 9.385 -1.418 -13.437 135 HD2 LYS 15 2HD LYS 15 8.324 -2.138 -15.391 136 HD3 LYS 15 3HD LYS 15 7.094 -2.339 -14.142 137 HE2 LYS 15 2HE LYS 15 5.843 -1.276 -15.722 138 HE3 LYS 15 3HE LYS 15 6.478 0.131 -14.870 139 HZ1 LYS 15 1HZ LYS 15 7.489 0.796 -16.708 140 HZ2 LYS 15 2HZ LYS 15 6.748 -0.465 -17.557 141 HZ3 LYS 15 3HZ LYS 15 8.285 -0.686 -16.886 142 H LYS 16 H LYS 16 10.743 0.846 -12.684 143 HA LYS 16 HA LYS 16 12.100 -1.194 -11.186 144 HB2 LYS 16 2HB LYS 16 13.374 0.890 -12.956 145 HB3 LYS 16 3HB LYS 16 14.005 -0.696 -12.533 146 HG2 LYS 16 2HG LYS 16 11.839 -1.549 -13.718 147 HG3 LYS 16 3HG LYS 16 11.880 0.040 -14.485 148 HD2 LYS 16 2HD LYS 16 14.128 -1.974 -14.491 149 HD3 LYS 16 3HD LYS 16 13.030 -1.657 -15.835 150 HE2 LYS 16 2HE LYS 16 14.880 0.371 -14.585 151 HE3 LYS 16 3HE LYS 16 15.204 -0.510 -16.076 152 HZ1 LYS 16 1HZ LYS 16 13.125 1.531 -15.572 153 HZ2 LYS 16 2HZ LYS 16 13.032 0.476 -16.891 154 HZ3 LYS 16 3HZ LYS 16 14.341 1.538 -16.748 155 H TYR 17 H TYR 17 14.578 -0.195 -10.674 156 HA TYR 17 HA TYR 17 14.354 0.910 -8.150 157 HB2 TYR 17 2HB TYR 17 16.718 1.226 -8.196 158 HB3 TYR 17 3HB TYR 17 16.382 -0.212 -9.153 159 HD1 TYR 17 HD1 TYR 17 16.713 -0.214 -11.558 160 HD2 TYR 17 HD2 TYR 17 17.505 3.272 -9.251 161 HE1 TYR 17 HE1 TYR 17 17.939 0.756 -13.457 162 HE2 TYR 17 HE2 TYR 17 18.732 4.253 -11.144 163 HH TYR 17 HH TYR 17 19.613 3.858 -13.169 164 H GLY 18 H GLY 18 14.390 2.481 -11.255 165 HA2 GLY 18 2HA GLY 18 13.791 4.647 -11.794 166 HA3 GLY 18 3HA GLY 18 13.517 4.952 -10.086 Start of MODEL 2 1 H1 ARG 1 H ARG 1 1.807 0.001 0.855 2 HA ARG 1 HA ARG 1 2.271 1.027 -1.522 3 HB2 ARG 1 2HB ARG 1 3.866 -0.367 -0.104 4 HB3 ARG 1 3HB ARG 1 3.272 -1.765 -0.988 5 HG2 ARG 1 2HG ARG 1 5.187 -1.207 -2.146 6 HG3 ARG 1 3HG ARG 1 3.924 -0.419 -3.094 7 HD2 ARG 1 2HD ARG 1 5.843 1.058 -2.753 8 HD3 ARG 1 3HD ARG 1 4.391 1.696 -1.982 9 HE ARG 1 HE ARG 1 5.869 0.172 -0.126 10 HH11 ARG 1 1HH1 ARG 1 5.960 3.205 -1.832 11 HH12 ARG 1 2HH1 ARG 1 6.885 4.014 -0.611 12 HH21 ARG 1 1HH2 ARG 1 7.087 1.225 1.489 13 HH22 ARG 1 2HH2 ARG 1 7.527 2.886 1.277 14 H GLY 2 H GLY 2 0.277 0.988 -2.713 15 HA2 GLY 2 2HA GLY 2 -0.403 -1.575 -3.971 16 HA3 GLY 2 3HA GLY 2 -1.402 -0.129 -3.975 17 H LEU 3 H LEU 3 1.139 1.425 -4.662 18 HA LEU 3 HA LEU 3 2.022 2.329 -6.555 19 HB2 LEU 3 2HB LEU 3 2.104 -0.608 -7.152 20 HB3 LEU 3 3HB LEU 3 2.704 0.578 -8.309 21 HG LEU 3 HG LEU 3 3.742 0.428 -5.491 22 HD11 LEU 3 1HD1 LEU 3 4.233 -1.380 -7.742 23 HD12 LEU 3 2HD1 LEU 3 4.541 -1.596 -6.020 24 HD13 LEU 3 3HD1 LEU 3 5.689 -0.702 -7.015 25 HD21 LEU 3 1HD2 LEU 3 4.058 2.379 -7.274 26 HD22 LEU 3 2HD2 LEU 3 5.345 1.307 -7.823 27 HD23 LEU 3 3HD2 LEU 3 5.338 1.898 -6.161 28 H ARG 4 H ARG 4 -0.599 2.766 -6.518 29 HA ARG 4 HA ARG 4 -1.553 2.089 -9.222 30 HB2 ARG 4 2HB ARG 4 -3.825 2.702 -8.299 31 HB3 ARG 4 3HB ARG 4 -3.102 1.245 -7.632 32 HG2 ARG 4 2HG ARG 4 -2.605 3.780 -6.189 33 HG3 ARG 4 3HG ARG 4 -4.236 3.110 -6.119 34 HD2 ARG 4 2HD ARG 4 -1.981 1.245 -5.656 35 HD3 ARG 4 3HD ARG 4 -2.316 2.430 -4.394 36 HE ARG 4 HE ARG 4 -3.865 0.121 -5.032 37 HH11 ARG 4 1HH1 ARG 4 -4.058 3.381 -3.826 38 HH12 ARG 4 2HH1 ARG 4 -5.508 3.100 -2.921 39 HH21 ARG 4 1HH2 ARG 4 -5.775 -0.262 -3.845 40 HH22 ARG 4 2HH2 ARG 4 -6.484 1.027 -2.932 41 H ARG 5 H ARG 5 -0.893 4.661 -6.958 42 HA ARG 5 HA ARG 5 -1.242 6.598 -9.133 43 HB2 ARG 5 2HB ARG 5 -2.479 6.695 -6.403 44 HB3 ARG 5 3HB ARG 5 -2.072 8.189 -7.236 45 HG2 ARG 5 2HG ARG 5 -3.519 7.606 -9.078 46 HG3 ARG 5 3HG ARG 5 -3.861 6.037 -8.345 47 HD2 ARG 5 2HD ARG 5 -5.688 7.159 -7.598 48 HD3 ARG 5 3HD ARG 5 -4.570 7.597 -6.307 49 HE ARG 5 HE ARG 5 -4.589 9.430 -8.529 50 HH11 ARG 5 1HH1 ARG 5 -6.023 8.594 -5.469 51 HH12 ARG 5 2HH1 ARG 5 -6.597 10.198 -5.152 52 HH21 ARG 5 1HH2 ARG 5 -5.340 11.545 -8.124 53 HH22 ARG 5 2HH2 ARG 5 -6.209 11.876 -6.664 54 H LEU 6 H LEU 6 1.089 5.289 -7.909 55 HA LEU 6 HA LEU 6 2.406 7.549 -6.583 56 HB2 LEU 6 2HB LEU 6 2.569 4.688 -6.341 57 HB3 LEU 6 3HB LEU 6 4.158 5.363 -6.695 58 HG LEU 6 HG LEU 6 3.672 5.051 -4.268 59 HD11 LEU 6 1HD1 LEU 6 5.211 6.620 -4.000 60 HD12 LEU 6 2HD1 LEU 6 3.993 7.879 -4.197 61 HD13 LEU 6 3HD1 LEU 6 4.842 7.246 -5.607 62 HD21 LEU 6 1HD2 LEU 6 2.147 6.523 -3.147 63 HD22 LEU 6 2HD2 LEU 6 1.268 5.671 -4.417 64 HD23 LEU 6 3HD2 LEU 6 1.759 7.348 -4.656 65 H GLY 7 H GLY 7 2.530 5.521 -9.436 66 HA2 GLY 7 2HA GLY 7 5.040 6.140 -10.437 67 HA3 GLY 7 3HA GLY 7 3.634 5.790 -11.431 68 H ARG 8 H ARG 8 2.057 8.021 -10.633 69 HA ARG 8 HA ARG 8 3.214 10.012 -12.352 70 HB2 ARG 8 2HB ARG 8 1.125 11.152 -12.176 71 HB3 ARG 8 3HB ARG 8 0.768 9.433 -12.281 72 HG2 ARG 8 2HG ARG 8 -0.594 9.869 -10.555 73 HG3 ARG 8 3HG ARG 8 0.887 9.744 -9.603 74 HD2 ARG 8 2HD ARG 8 0.169 11.764 -8.852 75 HD3 ARG 8 3HD ARG 8 1.064 12.311 -10.270 76 HE ARG 8 HE ARG 8 -1.651 11.747 -10.903 77 HH11 ARG 8 1HH1 ARG 8 0.428 14.115 -9.424 78 HH12 ARG 8 2HH1 ARG 8 -0.633 15.445 -9.757 79 HH21 ARG 8 1HH2 ARG 8 -3.056 13.488 -11.347 80 HH22 ARG 8 2HH2 ARG 8 -2.614 15.087 -10.850 81 H LYS 9 H LYS 9 2.945 9.489 -8.938 82 HA LYS 9 HA LYS 9 3.508 12.220 -8.209 83 HB2 LYS 9 2HB LYS 9 2.191 10.945 -6.672 84 HB3 LYS 9 3HB LYS 9 3.382 9.651 -6.630 85 HG2 LYS 9 2HG LYS 9 3.462 10.970 -4.598 86 HG3 LYS 9 3HG LYS 9 4.964 11.138 -5.511 87 HD2 LYS 9 2HD LYS 9 4.340 13.308 -4.727 88 HD3 LYS 9 3HD LYS 9 4.048 13.261 -6.467 89 HE2 LYS 9 2HE LYS 9 1.668 12.808 -6.031 90 HE3 LYS 9 3HE LYS 9 1.978 12.912 -4.299 91 HZ1 LYS 9 1HZ LYS 9 1.225 14.974 -5.859 92 HZ2 LYS 9 2HZ LYS 9 2.901 15.194 -5.799 93 HZ3 LYS 9 3HZ LYS 9 2.005 15.132 -4.366 94 H ILE 10 H ILE 10 5.319 9.351 -8.902 95 HA ILE 10 HA ILE 10 7.779 10.590 -7.882 96 HB ILE 10 HB ILE 10 7.408 7.758 -8.858 97 HG12 ILE 10 2HG1 ILE 10 7.485 8.778 -6.011 98 HG13 ILE 10 3HG1 ILE 10 6.025 8.271 -6.853 99 HG21 ILE 10 1HG2 ILE 10 9.607 7.551 -8.651 100 HG22 ILE 10 2HG2 ILE 10 9.711 9.281 -8.325 101 HG23 ILE 10 3HG2 ILE 10 9.540 8.141 -6.990 102 HD11 ILE 10 1HD1 ILE 10 7.100 6.605 -5.274 103 HD12 ILE 10 2HD1 ILE 10 6.701 6.031 -6.893 104 HD13 ILE 10 3HD1 ILE 10 8.368 6.438 -6.488 105 H ALA 11 H ALA 11 7.000 8.476 -10.647 106 HA ALA 11 HA ALA 11 7.786 10.363 -12.610 107 HB1 ALA 11 1HB ALA 11 9.783 8.532 -13.160 108 HB2 ALA 11 2HB ALA 11 10.001 10.153 -12.498 109 HB3 ALA 11 3HB ALA 11 9.892 8.766 -11.415 110 H HIS 12 H HIS 12 6.515 9.831 -14.249 111 HA HIS 12 HA HIS 12 5.099 7.479 -14.541 112 HB2 HIS 12 2HB HIS 12 5.839 9.696 -16.394 113 HB3 HIS 12 3HB HIS 12 5.132 8.239 -17.086 114 HD1 HIS 12 HD1 HIS 12 4.304 10.659 -14.262 115 HD2 HIS 12 HD2 HIS 12 2.437 8.346 -17.164 116 HE1 HIS 12 HE1 HIS 12 1.851 11.170 -14.053 117 H GLY 13 H GLY 13 6.059 5.529 -14.537 118 HA2 GLY 13 2HA GLY 13 6.966 3.777 -15.887 119 HA3 GLY 13 3HA GLY 13 7.947 4.973 -16.720 120 H VAL 14 H VAL 14 7.730 5.096 -13.270 121 HA VAL 14 HA VAL 14 10.556 4.346 -13.103 122 HB VAL 14 HB VAL 14 9.720 6.522 -12.123 123 HG11 VAL 14 1HG1 VAL 14 8.126 6.587 -10.565 124 HG12 VAL 14 2HG1 VAL 14 7.794 4.903 -10.977 125 HG13 VAL 14 3HG1 VAL 14 8.873 5.288 -9.635 126 HG21 VAL 14 1HG2 VAL 14 11.453 4.515 -10.908 127 HG22 VAL 14 2HG2 VAL 14 11.739 6.230 -11.202 128 HG23 VAL 14 3HG2 VAL 14 10.863 5.717 -9.761 129 H LYS 15 H LYS 15 8.413 2.360 -13.395 130 HA LYS 15 HA LYS 15 7.664 1.078 -11.075 131 HB2 LYS 15 2HB LYS 15 7.531 -0.976 -12.407 132 HB3 LYS 15 3HB LYS 15 6.880 0.399 -13.289 133 HG2 LYS 15 2HG LYS 15 9.075 0.580 -14.467 134 HG3 LYS 15 3HG LYS 15 9.544 -0.936 -13.694 135 HD2 LYS 15 2HD LYS 15 7.240 -1.750 -14.702 136 HD3 LYS 15 3HD LYS 15 7.538 -0.428 -15.834 137 HE2 LYS 15 2HE LYS 15 9.615 -1.383 -16.514 138 HE3 LYS 15 3HE LYS 15 9.556 -2.579 -15.220 139 HZ1 LYS 15 1HZ LYS 15 8.073 -2.502 -17.748 140 HZ2 LYS 15 2HZ LYS 15 7.340 -3.230 -16.409 141 HZ3 LYS 15 3HZ LYS 15 8.824 -3.809 -16.979 142 H LYS 16 H LYS 16 10.791 1.178 -12.607 143 HA LYS 16 HA LYS 16 11.906 -0.987 -11.086 144 HB2 LYS 16 2HB LYS 16 13.435 1.180 -12.522 145 HB3 LYS 16 3HB LYS 16 13.981 -0.446 -12.130 146 HG2 LYS 16 2HG LYS 16 11.982 -1.167 -13.649 147 HG3 LYS 16 3HG LYS 16 12.147 0.469 -14.291 148 HD2 LYS 16 2HD LYS 16 14.382 -1.551 -14.115 149 HD3 LYS 16 3HD LYS 16 13.441 -1.210 -15.569 150 HE2 LYS 16 2HE LYS 16 14.226 1.075 -15.586 151 HE3 LYS 16 3HE LYS 16 15.070 0.830 -14.058 152 HZ1 LYS 16 1HZ LYS 16 15.773 -0.120 -16.742 153 HZ2 LYS 16 2HZ LYS 16 16.235 -1.055 -15.410 154 HZ3 LYS 16 3HZ LYS 16 16.763 0.547 -15.542 155 H TYR 17 H TYR 17 14.306 -0.082 -10.181 156 HA TYR 17 HA TYR 17 13.760 0.857 -7.639 157 HB2 TYR 17 2HB TYR 17 16.137 1.196 -7.382 158 HB3 TYR 17 3HB TYR 17 15.877 -0.250 -8.351 159 HD1 TYR 17 HD1 TYR 17 16.356 -0.226 -10.768 160 HD2 TYR 17 HD2 TYR 17 17.214 3.133 -8.302 161 HE1 TYR 17 HE1 TYR 17 17.813 0.686 -12.527 162 HE2 TYR 17 HE2 TYR 17 18.673 4.055 -10.054 163 HH TYR 17 HH TYR 17 19.150 2.346 -13.134 164 H GLY 18 H GLY 18 14.236 2.629 -10.596 165 HA2 GLY 18 2HA GLY 18 13.744 4.839 -11.059 166 HA3 GLY 18 3HA GLY 18 13.252 5.038 -9.384 Start of MODEL 3 1 H1 ARG 1 H ARG 1 5.014 -2.273 -1.159 2 HA ARG 1 HA ARG 1 2.365 -2.884 -2.296 3 HB2 ARG 1 2HB ARG 1 2.881 -1.792 0.467 4 HB3 ARG 1 3HB ARG 1 1.386 -2.469 -0.165 5 HG2 ARG 1 2HG ARG 1 2.685 -4.652 -0.416 6 HG3 ARG 1 3HG ARG 1 3.903 -3.896 0.614 7 HD2 ARG 1 2HD ARG 1 1.065 -3.826 1.501 8 HD3 ARG 1 3HD ARG 1 1.936 -5.355 1.616 9 HE ARG 1 HE ARG 1 3.476 -3.267 2.734 10 HH11 ARG 1 1HH1 ARG 1 0.670 -5.229 3.360 11 HH12 ARG 1 2HH1 ARG 1 0.813 -5.115 5.083 12 HH21 ARG 1 1HH2 ARG 1 3.675 -3.109 5.001 13 HH22 ARG 1 2HH2 ARG 1 2.522 -3.908 6.015 14 H GLY 2 H GLY 2 1.049 -1.231 -2.928 15 HA2 GLY 2 2HA GLY 2 0.342 1.062 -2.887 16 HA3 GLY 2 3HA GLY 2 1.983 1.520 -2.452 17 H LEU 3 H LEU 3 2.484 2.901 -4.069 18 HA LEU 3 HA LEU 3 3.114 3.619 -6.132 19 HB2 LEU 3 2HB LEU 3 4.073 1.100 -5.935 20 HB3 LEU 3 3HB LEU 3 3.048 0.942 -7.360 21 HG LEU 3 HG LEU 3 5.265 1.393 -8.101 22 HD11 LEU 3 1HD1 LEU 3 3.619 3.913 -8.261 23 HD12 LEU 3 2HD1 LEU 3 3.501 2.522 -9.338 24 HD13 LEU 3 3HD1 LEU 3 4.972 3.495 -9.313 25 HD21 LEU 3 1HD2 LEU 3 5.306 3.156 -5.792 26 HD22 LEU 3 2HD2 LEU 3 5.959 3.921 -7.241 27 HD23 LEU 3 3HD2 LEU 3 6.640 2.400 -6.663 28 H ARG 4 H ARG 4 0.373 3.608 -5.555 29 HA ARG 4 HA ARG 4 -0.949 2.700 -7.996 30 HB2 ARG 4 2HB ARG 4 -1.868 3.575 -5.295 31 HB3 ARG 4 3HB ARG 4 -2.968 3.770 -6.653 32 HG2 ARG 4 2HG ARG 4 -2.554 1.314 -7.148 33 HG3 ARG 4 3HG ARG 4 -1.799 1.236 -5.554 34 HD2 ARG 4 2HD ARG 4 -4.099 0.557 -5.365 35 HD3 ARG 4 3HD ARG 4 -3.894 2.118 -4.570 36 HE ARG 4 HE ARG 4 -4.690 2.789 -7.069 37 HH11 ARG 4 1HH1 ARG 4 -5.956 0.637 -4.643 38 HH12 ARG 4 2HH1 ARG 4 -7.605 0.844 -5.133 39 HH21 ARG 4 1HH2 ARG 4 -6.857 3.070 -7.724 40 HH22 ARG 4 2HH2 ARG 4 -8.116 2.228 -6.886 41 H ARG 5 H ARG 5 -0.127 5.651 -6.264 42 HA ARG 5 HA ARG 5 -0.744 7.173 -8.695 43 HB2 ARG 5 2HB ARG 5 -1.685 7.761 -5.899 44 HB3 ARG 5 3HB ARG 5 -1.511 9.043 -7.090 45 HG2 ARG 5 2HG ARG 5 -3.144 8.049 -8.512 46 HG3 ARG 5 3HG ARG 5 -3.197 6.591 -7.519 47 HD2 ARG 5 2HD ARG 5 -4.163 7.813 -5.686 48 HD3 ARG 5 3HD ARG 5 -3.964 9.339 -6.547 49 HE ARG 5 HE ARG 5 -5.526 7.756 -8.171 50 HH11 ARG 5 1HH1 ARG 5 -5.725 9.046 -4.944 51 HH12 ARG 5 2HH1 ARG 5 -7.455 9.137 -4.947 52 HH21 ARG 5 1HH2 ARG 5 -7.804 7.870 -8.187 53 HH22 ARG 5 2HH2 ARG 5 -8.637 8.467 -6.791 54 H LEU 6 H LEU 6 1.734 6.152 -7.429 55 HA LEU 6 HA LEU 6 3.065 8.641 -6.646 56 HB2 LEU 6 2HB LEU 6 3.372 5.869 -5.961 57 HB3 LEU 6 3HB LEU 6 4.891 6.506 -6.588 58 HG LEU 6 HG LEU 6 4.666 6.597 -4.106 59 HD11 LEU 6 1HD1 LEU 6 6.199 8.178 -4.339 60 HD12 LEU 6 2HD1 LEU 6 4.917 9.383 -4.454 61 HD13 LEU 6 3HD1 LEU 6 5.544 8.621 -5.916 62 HD21 LEU 6 1HD2 LEU 6 3.169 8.070 -3.049 63 HD22 LEU 6 2HD2 LEU 6 2.196 7.189 -4.227 64 HD23 LEU 6 3HD2 LEU 6 2.719 8.839 -4.571 65 H GLY 7 H GLY 7 3.049 6.163 -9.130 66 HA2 GLY 7 2HA GLY 7 5.421 6.711 -10.455 67 HA3 GLY 7 3HA GLY 7 3.956 6.139 -11.239 68 H ARG 8 H ARG 8 2.332 8.408 -10.666 69 HA ARG 8 HA ARG 8 3.205 10.121 -12.799 70 HB2 ARG 8 2HB ARG 8 1.087 11.239 -12.536 71 HB3 ARG 8 3HB ARG 8 0.823 9.503 -12.436 72 HG2 ARG 8 2HG ARG 8 0.646 9.628 -10.031 73 HG3 ARG 8 3HG ARG 8 1.028 11.351 -10.068 74 HD2 ARG 8 2HD ARG 8 -1.045 11.374 -11.731 75 HD3 ARG 8 3HD ARG 8 -1.474 9.935 -10.808 76 HE ARG 8 HE ARG 8 -0.795 12.035 -9.051 77 HH11 ARG 8 1HH1 ARG 8 -3.309 11.025 -11.238 78 HH12 ARG 8 2HH1 ARG 8 -4.565 11.862 -10.388 79 HH21 ARG 8 1HH2 ARG 8 -2.440 13.141 -7.923 80 HH22 ARG 8 2HH2 ARG 8 -4.070 13.066 -8.503 81 H LYS 9 H LYS 9 3.308 10.178 -9.338 82 HA LYS 9 HA LYS 9 3.800 13.013 -9.144 83 HB2 LYS 9 2HB LYS 9 2.692 11.986 -7.289 84 HB3 LYS 9 3HB LYS 9 3.943 10.757 -7.144 85 HG2 LYS 9 2HG LYS 9 4.104 12.457 -5.392 86 HG3 LYS 9 3HG LYS 9 5.541 12.423 -6.417 87 HD2 LYS 9 2HD LYS 9 4.752 14.361 -7.639 88 HD3 LYS 9 3HD LYS 9 3.249 14.364 -6.715 89 HE2 LYS 9 2HE LYS 9 5.823 14.489 -5.229 90 HE3 LYS 9 3HE LYS 9 5.280 15.935 -6.079 91 HZ1 LYS 9 1HZ LYS 9 4.357 14.856 -3.628 92 HZ2 LYS 9 2HZ LYS 9 3.076 14.972 -4.725 93 HZ3 LYS 9 3HZ LYS 9 3.988 16.344 -4.343 94 H ILE 10 H ILE 10 5.670 10.122 -9.513 95 HA ILE 10 HA ILE 10 8.155 11.584 -8.958 96 HB ILE 10 HB ILE 10 7.817 8.623 -9.435 97 HG12 ILE 10 2HG1 ILE 10 8.133 10.087 -6.806 98 HG13 ILE 10 3HG1 ILE 10 6.616 9.424 -7.403 99 HG21 ILE 10 1HG2 ILE 10 10.033 8.510 -9.422 100 HG22 ILE 10 2HG2 ILE 10 10.093 10.272 -9.391 101 HG23 ILE 10 3HG2 ILE 10 10.102 9.363 -7.880 102 HD11 ILE 10 1HD1 ILE 10 7.816 8.024 -5.716 103 HD12 ILE 10 2HD1 ILE 10 7.426 7.204 -7.228 104 HD13 ILE 10 3HD1 ILE 10 9.071 7.761 -6.926 105 H ALA 11 H ALA 11 7.168 9.062 -11.282 106 HA ALA 11 HA ALA 11 7.722 10.633 -13.573 107 HB1 ALA 11 1HB ALA 11 9.698 8.764 -14.044 108 HB2 ALA 11 2HB ALA 11 9.943 10.464 -13.642 109 HB3 ALA 11 3HB ALA 11 9.969 9.244 -12.368 110 H HIS 12 H HIS 12 6.300 9.849 -14.970 111 HA HIS 12 HA HIS 12 4.930 7.460 -14.763 112 HB2 HIS 12 2HB HIS 12 4.543 9.557 -16.289 113 HB3 HIS 12 3HB HIS 12 5.465 8.631 -17.470 114 HD1 HIS 12 HD1 HIS 12 4.372 5.879 -17.270 115 HD2 HIS 12 HD2 HIS 12 1.947 9.237 -16.945 116 HE1 HIS 12 HE1 HIS 12 2.053 5.093 -17.846 117 H GLY 13 H GLY 13 5.921 5.537 -14.598 118 HA2 GLY 13 2HA GLY 13 6.736 3.625 -15.778 119 HA3 GLY 13 3HA GLY 13 7.606 4.704 -16.858 120 H VAL 14 H VAL 14 7.735 5.350 -13.473 121 HA VAL 14 HA VAL 14 10.573 4.646 -13.474 122 HB VAL 14 HB VAL 14 9.773 6.923 -12.717 123 HG11 VAL 14 1HG1 VAL 14 8.333 7.174 -11.034 124 HG12 VAL 14 2HG1 VAL 14 8.013 5.445 -11.180 125 HG13 VAL 14 3HG1 VAL 14 9.203 6.027 -10.016 126 HG21 VAL 14 1HG2 VAL 14 11.670 5.125 -11.419 127 HG22 VAL 14 2HG2 VAL 14 11.879 6.788 -11.969 128 HG23 VAL 14 3HG2 VAL 14 11.158 6.465 -10.392 129 H LYS 15 H LYS 15 8.468 2.608 -13.287 130 HA LYS 15 HA LYS 15 7.980 1.642 -10.753 131 HB2 LYS 15 2HB LYS 15 7.757 -0.568 -11.774 132 HB3 LYS 15 3HB LYS 15 7.017 0.665 -12.787 133 HG2 LYS 15 2HG LYS 15 8.897 0.633 -14.287 134 HG3 LYS 15 3HG LYS 15 9.765 -0.483 -13.230 135 HD2 LYS 15 2HD LYS 15 8.381 -2.267 -13.766 136 HD3 LYS 15 3HD LYS 15 7.071 -1.216 -14.310 137 HE2 LYS 15 2HE LYS 15 8.407 -0.573 -16.261 138 HE3 LYS 15 3HE LYS 15 9.708 -1.631 -15.717 139 HZ1 LYS 15 1HZ LYS 15 8.715 -3.147 -16.995 140 HZ2 LYS 15 2HZ LYS 15 7.261 -2.287 -17.082 141 HZ3 LYS 15 3HZ LYS 15 7.575 -3.284 -15.752 142 H LYS 16 H LYS 16 10.942 1.579 -12.584 143 HA LYS 16 HA LYS 16 12.257 -0.343 -10.905 144 HB2 LYS 16 2HB LYS 16 13.579 1.632 -12.763 145 HB3 LYS 16 3HB LYS 16 14.209 0.086 -12.210 146 HG2 LYS 16 2HG LYS 16 12.133 -0.900 -13.415 147 HG3 LYS 16 3HG LYS 16 12.115 0.649 -14.260 148 HD2 LYS 16 2HD LYS 16 13.404 -0.725 -15.639 149 HD3 LYS 16 3HD LYS 16 14.601 0.195 -14.725 150 HE2 LYS 16 2HE LYS 16 15.195 -1.622 -13.425 151 HE3 LYS 16 3HE LYS 16 13.663 -2.449 -13.698 152 HZ1 LYS 16 1HZ LYS 16 14.358 -3.286 -15.678 153 HZ2 LYS 16 2HZ LYS 16 15.857 -3.197 -14.900 154 HZ3 LYS 16 3HZ LYS 16 15.406 -1.998 -16.005 155 H TYR 17 H TYR 17 14.707 0.712 -10.370 156 HA TYR 17 HA TYR 17 14.379 1.979 -7.934 157 HB2 TYR 17 2HB TYR 17 16.803 2.546 -8.105 158 HB3 TYR 17 3HB TYR 17 16.448 0.863 -8.478 159 HD1 TYR 17 HD1 TYR 17 16.953 -0.053 -10.609 160 HD2 TYR 17 HD2 TYR 17 17.302 4.139 -9.966 161 HE1 TYR 17 HE1 TYR 17 18.118 0.174 -12.763 162 HE2 TYR 17 HE2 TYR 17 18.468 4.377 -12.119 163 HH TYR 17 HH TYR 17 19.739 1.790 -13.817 164 H GLY 18 H GLY 18 14.520 3.340 -11.134 165 HA2 GLY 18 2HA GLY 18 14.001 5.463 -11.863 166 HA3 GLY 18 3HA GLY 18 13.535 5.855 -10.214 Start of MODEL 4 1 H1 ARG 1 H ARG 1 0.073 -2.508 0.607 2 HA ARG 1 HA ARG 1 2.564 -1.399 -0.212 3 HB2 ARG 1 2HB ARG 1 2.706 -3.792 -1.041 4 HB3 ARG 1 3HB ARG 1 1.372 -3.409 -2.121 5 HG2 ARG 1 2HG ARG 1 3.286 -3.157 -3.428 6 HG3 ARG 1 3HG ARG 1 2.836 -1.510 -2.984 7 HD2 ARG 1 2HD ARG 1 5.186 -1.685 -2.698 8 HD3 ARG 1 3HD ARG 1 4.472 -1.685 -1.086 9 HE ARG 1 HE ARG 1 5.214 -3.838 -0.785 10 HH11 ARG 1 1HH1 ARG 1 5.511 -2.958 -4.140 11 HH12 ARG 1 2HH1 ARG 1 6.432 -4.364 -4.562 12 HH21 ARG 1 1HH2 ARG 1 6.426 -5.693 -1.328 13 HH22 ARG 1 2HH2 ARG 1 6.950 -5.919 -2.962 14 H GLY 2 H GLY 2 2.259 0.371 -1.479 15 HA2 GLY 2 2HA GLY 2 -0.520 0.884 -2.335 16 HA3 GLY 2 3HA GLY 2 0.608 2.131 -1.825 17 H LEU 3 H LEU 3 1.841 3.119 -3.321 18 HA LEU 3 HA LEU 3 2.541 3.797 -5.377 19 HB2 LEU 3 2HB LEU 3 2.823 0.818 -5.557 20 HB3 LEU 3 3HB LEU 3 3.252 1.860 -6.912 21 HG LEU 3 HG LEU 3 4.493 1.979 -4.164 22 HD11 LEU 3 1HD1 LEU 3 5.803 1.033 -6.693 23 HD12 LEU 3 2HD1 LEU 3 4.964 -0.072 -5.605 24 HD13 LEU 3 3HD1 LEU 3 6.353 0.848 -5.027 25 HD21 LEU 3 1HD2 LEU 3 5.094 4.025 -4.817 26 HD22 LEU 3 2HD2 LEU 3 4.551 3.749 -6.472 27 HD23 LEU 3 3HD2 LEU 3 6.158 3.221 -5.971 28 H ARG 4 H ARG 4 -0.166 3.908 -5.142 29 HA ARG 4 HA ARG 4 -1.223 2.791 -7.645 30 HB2 ARG 4 2HB ARG 4 -2.639 3.936 -5.233 31 HB3 ARG 4 3HB ARG 4 -3.452 3.405 -6.698 32 HG2 ARG 4 2HG ARG 4 -2.842 1.149 -6.332 33 HG3 ARG 4 3HG ARG 4 -1.706 1.594 -5.056 34 HD2 ARG 4 2HD ARG 4 -3.592 0.773 -3.927 35 HD3 ARG 4 3HD ARG 4 -3.722 2.527 -3.812 36 HE ARG 4 HE ARG 4 -5.150 1.864 -6.049 37 HH11 ARG 4 1HH1 ARG 4 -5.241 0.958 -2.689 38 HH12 ARG 4 2HH1 ARG 4 -6.949 0.668 -2.678 39 HH21 ARG 4 1HH2 ARG 4 -7.400 1.486 -6.048 40 HH22 ARG 4 2HH2 ARG 4 -8.176 0.968 -4.590 41 H ARG 5 H ARG 5 -0.594 5.776 -5.935 42 HA ARG 5 HA ARG 5 -1.179 7.250 -8.404 43 HB2 ARG 5 2HB ARG 5 -2.126 7.949 -5.626 44 HB3 ARG 5 3HB ARG 5 -2.069 9.120 -6.937 45 HG2 ARG 5 2HG ARG 5 -3.537 6.540 -7.279 46 HG3 ARG 5 3HG ARG 5 -4.281 7.895 -6.428 47 HD2 ARG 5 2HD ARG 5 -4.174 9.279 -8.335 48 HD3 ARG 5 3HD ARG 5 -3.066 8.184 -9.161 49 HE ARG 5 HE ARG 5 -5.285 6.675 -8.801 50 HH11 ARG 5 1HH1 ARG 5 -4.719 9.823 -10.177 51 HH12 ARG 5 2HH1 ARG 5 -6.031 9.711 -11.302 52 HH21 ARG 5 1HH2 ARG 5 -7.016 6.516 -10.278 53 HH22 ARG 5 2HH2 ARG 5 -7.338 7.830 -11.358 54 H LEU 6 H LEU 6 1.298 6.298 -7.132 55 HA LEU 6 HA LEU 6 2.567 8.833 -6.373 56 HB2 LEU 6 2HB LEU 6 2.894 6.091 -5.563 57 HB3 LEU 6 3HB LEU 6 4.423 6.747 -6.145 58 HG LEU 6 HG LEU 6 4.083 6.922 -3.680 59 HD11 LEU 6 1HD1 LEU 6 5.574 8.546 -3.887 60 HD12 LEU 6 2HD1 LEU 6 4.269 9.703 -4.141 61 HD13 LEU 6 3HD1 LEU 6 5.005 8.889 -5.521 62 HD21 LEU 6 1HD2 LEU 6 2.522 8.462 -2.766 63 HD22 LEU 6 2HD2 LEU 6 1.625 7.411 -3.863 64 HD23 LEU 6 3HD2 LEU 6 2.061 9.045 -4.366 65 H GLY 7 H GLY 7 2.549 6.329 -8.797 66 HA2 GLY 7 2HA GLY 7 4.978 6.721 -10.064 67 HA3 GLY 7 3HA GLY 7 3.499 6.246 -10.886 68 H ARG 8 H ARG 8 2.037 8.649 -10.303 69 HA ARG 8 HA ARG 8 3.069 10.286 -12.433 70 HB2 ARG 8 2HB ARG 8 1.029 11.578 -12.171 71 HB3 ARG 8 3HB ARG 8 0.653 9.860 -12.176 72 HG2 ARG 8 2HG ARG 8 0.741 10.061 -9.608 73 HG3 ARG 8 3HG ARG 8 0.592 11.795 -9.899 74 HD2 ARG 8 2HD ARG 8 -1.317 10.413 -11.509 75 HD3 ARG 8 3HD ARG 8 -1.452 9.842 -9.846 76 HE ARG 8 HE ARG 8 -2.265 11.899 -9.235 77 HH11 ARG 8 1HH1 ARG 8 -0.878 12.101 -12.422 78 HH12 ARG 8 2HH1 ARG 8 -1.476 13.699 -12.723 79 HH21 ARG 8 1HH2 ARG 8 -3.057 14.003 -9.619 80 HH22 ARG 8 2HH2 ARG 8 -2.714 14.780 -11.127 81 H LYS 9 H LYS 9 3.077 10.343 -8.967 82 HA LYS 9 HA LYS 9 3.758 13.135 -8.753 83 HB2 LYS 9 2HB LYS 9 2.551 12.174 -6.924 84 HB3 LYS 9 3HB LYS 9 3.717 10.867 -6.761 85 HG2 LYS 9 2HG LYS 9 5.351 12.301 -5.857 86 HG3 LYS 9 3HG LYS 9 4.457 13.746 -6.335 87 HD2 LYS 9 2HD LYS 9 2.844 13.438 -4.667 88 HD3 LYS 9 3HD LYS 9 3.291 11.748 -4.422 89 HE2 LYS 9 2HE LYS 9 4.068 13.162 -2.582 90 HE3 LYS 9 3HE LYS 9 5.417 12.438 -3.456 91 HZ1 LYS 9 1HZ LYS 9 4.708 14.966 -4.551 92 HZ2 LYS 9 2HZ LYS 9 6.202 14.435 -3.962 93 HZ3 LYS 9 3HZ LYS 9 5.064 15.102 -2.902 94 H ILE 10 H ILE 10 5.446 10.129 -9.091 95 HA ILE 10 HA ILE 10 8.008 11.423 -8.477 96 HB ILE 10 HB ILE 10 7.492 8.495 -9.001 97 HG12 ILE 10 2HG1 ILE 10 7.829 9.910 -6.348 98 HG13 ILE 10 3HG1 ILE 10 6.294 9.333 -6.989 99 HG21 ILE 10 1HG2 ILE 10 9.692 8.207 -8.880 100 HG22 ILE 10 2HG2 ILE 10 9.862 9.960 -8.943 101 HG23 ILE 10 3HG2 ILE 10 9.788 9.137 -7.385 102 HD11 ILE 10 1HD1 ILE 10 7.463 7.880 -5.273 103 HD12 ILE 10 2HD1 ILE 10 6.919 7.090 -6.754 104 HD13 ILE 10 3HD1 ILE 10 8.622 7.499 -6.546 105 H ALA 11 H ALA 11 6.855 9.037 -10.869 106 HA ALA 11 HA ALA 11 7.524 10.565 -13.131 107 HB1 ALA 11 1HB ALA 11 9.483 8.666 -13.570 108 HB2 ALA 11 2HB ALA 11 9.742 10.365 -13.175 109 HB3 ALA 11 3HB ALA 11 9.736 9.153 -11.894 110 H HIS 12 H HIS 12 6.104 9.803 -14.542 111 HA HIS 12 HA HIS 12 4.711 7.424 -14.362 112 HB2 HIS 12 2HB HIS 12 4.109 9.398 -15.791 113 HB3 HIS 12 3HB HIS 12 5.335 8.873 -16.941 114 HD1 HIS 12 HD1 HIS 12 3.194 6.319 -15.265 115 HD2 HIS 12 HD2 HIS 12 3.378 8.349 -18.885 116 HE1 HIS 12 HE1 HIS 12 1.592 5.121 -16.790 117 H GLY 13 H GLY 13 5.612 5.463 -14.269 118 HA2 GLY 13 2HA GLY 13 6.450 3.563 -15.418 119 HA3 GLY 13 3HA GLY 13 7.314 4.637 -16.509 120 H VAL 14 H VAL 14 7.444 5.195 -13.089 121 HA VAL 14 HA VAL 14 10.298 4.560 -13.131 122 HB VAL 14 HB VAL 14 9.450 6.784 -12.279 123 HG11 VAL 14 1HG1 VAL 14 8.016 6.937 -10.577 124 HG12 VAL 14 2HG1 VAL 14 7.728 5.210 -10.800 125 HG13 VAL 14 3HG1 VAL 14 8.912 5.762 -9.615 126 HG21 VAL 14 1HG2 VAL 14 11.394 4.980 -11.063 127 HG22 VAL 14 2HG2 VAL 14 11.561 6.669 -11.544 128 HG23 VAL 14 3HG2 VAL 14 10.856 6.263 -9.979 129 H LYS 15 H LYS 15 8.243 2.467 -13.018 130 HA LYS 15 HA LYS 15 7.789 1.388 -10.524 131 HB2 LYS 15 2HB LYS 15 7.645 -0.795 -11.642 132 HB3 LYS 15 3HB LYS 15 6.823 0.458 -12.562 133 HG2 LYS 15 2HG LYS 15 9.102 0.620 -13.826 134 HG3 LYS 15 3HG LYS 15 9.341 -1.007 -13.184 135 HD2 LYS 15 2HD LYS 15 6.807 -1.192 -14.135 136 HD3 LYS 15 3HD LYS 15 7.511 -0.044 -15.277 137 HE2 LYS 15 2HE LYS 15 8.603 -2.771 -14.586 138 HE3 LYS 15 3HE LYS 15 7.761 -2.335 -16.072 139 HZ1 LYS 15 1HZ LYS 15 9.764 -1.885 -16.884 140 HZ2 LYS 15 2HZ LYS 15 10.503 -1.955 -15.364 141 HZ3 LYS 15 3HZ LYS 15 9.785 -0.516 -15.889 142 H LYS 16 H LYS 16 10.743 1.470 -12.367 143 HA LYS 16 HA LYS 16 12.111 -0.489 -10.774 144 HB2 LYS 16 2HB LYS 16 13.385 1.590 -12.548 145 HB3 LYS 16 3HB LYS 16 14.041 0.030 -12.071 146 HG2 LYS 16 2HG LYS 16 11.965 -0.922 -13.313 147 HG3 LYS 16 3HG LYS 16 11.938 0.662 -14.090 148 HD2 LYS 16 2HD LYS 16 13.255 -0.566 -15.541 149 HD3 LYS 16 3HD LYS 16 14.464 0.204 -14.512 150 HE2 LYS 16 2HE LYS 16 14.953 -1.758 -13.396 151 HE3 LYS 16 3HE LYS 16 13.389 -2.481 -13.769 152 HZ1 LYS 16 1HZ LYS 16 14.629 -3.609 -15.255 153 HZ2 LYS 16 2HZ LYS 16 15.830 -2.421 -15.349 154 HZ3 LYS 16 3HZ LYS 16 14.385 -2.234 -16.210 155 H TYR 17 H TYR 17 14.537 0.599 -10.204 156 HA TYR 17 HA TYR 17 14.193 1.757 -7.718 157 HB2 TYR 17 2HB TYR 17 16.560 2.208 -7.729 158 HB3 TYR 17 3HB TYR 17 16.286 0.677 -8.552 159 HD1 TYR 17 HD1 TYR 17 16.795 0.412 -10.879 160 HD2 TYR 17 HD2 TYR 17 17.178 4.219 -9.018 161 HE1 TYR 17 HE1 TYR 17 18.031 1.238 -12.838 162 HE2 TYR 17 HE2 TYR 17 18.414 5.056 -10.973 163 HH TYR 17 HH TYR 17 19.179 2.932 -13.711 164 H GLY 18 H GLY 18 14.288 3.254 -10.858 165 HA2 GLY 18 2HA GLY 18 13.713 5.392 -11.496 166 HA3 GLY 18 3HA GLY 18 13.245 5.703 -9.831 Start of MODEL 5 1 H1 ARG 1 H ARG 1 3.448 -0.465 -0.108 2 HA ARG 1 HA ARG 1 3.925 -1.810 -2.427 3 HB2 ARG 1 2HB ARG 1 2.310 -2.498 -0.004 4 HB3 ARG 1 3HB ARG 1 2.316 -3.602 -1.373 5 HG2 ARG 1 2HG ARG 1 3.979 -4.335 0.154 6 HG3 ARG 1 3HG ARG 1 4.809 -3.632 -1.236 7 HD2 ARG 1 2HD ARG 1 5.837 -2.930 0.869 8 HD3 ARG 1 3HD ARG 1 5.149 -1.560 -0.003 9 HE ARG 1 HE ARG 1 3.206 -2.458 1.761 10 HH11 ARG 1 1HH1 ARG 1 6.407 -1.097 1.910 11 HH12 ARG 1 2HH1 ARG 1 6.151 -0.332 3.444 12 HH21 ARG 1 1HH2 ARG 1 2.857 -1.456 3.781 13 HH22 ARG 1 2HH2 ARG 1 4.133 -0.538 4.507 14 H GLY 2 H GLY 2 2.048 0.460 -2.826 15 HA2 GLY 2 2HA GLY 2 -0.191 -0.995 -4.084 16 HA3 GLY 2 3HA GLY 2 -0.263 0.680 -3.558 17 H LEU 3 H LEU 3 1.733 1.962 -4.625 18 HA LEU 3 HA LEU 3 2.433 2.983 -6.533 19 HB2 LEU 3 2HB LEU 3 2.574 0.087 -7.311 20 HB3 LEU 3 3HB LEU 3 3.069 1.370 -8.412 21 HG LEU 3 HG LEU 3 4.277 1.058 -5.677 22 HD11 LEU 3 1HD1 LEU 3 4.838 -0.439 -8.184 23 HD12 LEU 3 2HD1 LEU 3 4.917 -0.972 -6.506 24 HD13 LEU 3 3HD1 LEU 3 6.195 0.047 -7.167 25 HD21 LEU 3 1HD2 LEU 3 4.480 2.995 -7.700 26 HD22 LEU 3 2HD2 LEU 3 5.984 2.073 -7.744 27 HD23 LEU 3 3HD2 LEU 3 5.465 2.844 -6.244 28 H ARG 4 H ARG 4 -0.166 3.346 -6.287 29 HA ARG 4 HA ARG 4 -1.328 2.717 -8.920 30 HB2 ARG 4 2HB ARG 4 -3.522 3.015 -7.903 31 HB3 ARG 4 3HB ARG 4 -2.598 1.810 -7.018 32 HG2 ARG 4 2HG ARG 4 -2.030 3.534 -5.340 33 HG3 ARG 4 3HG ARG 4 -3.068 4.670 -6.205 34 HD2 ARG 4 2HD ARG 4 -4.501 3.883 -4.583 35 HD3 ARG 4 3HD ARG 4 -4.865 2.802 -5.928 36 HE ARG 4 HE ARG 4 -2.847 1.626 -4.403 37 HH11 ARG 4 1HH1 ARG 4 -6.199 2.512 -4.098 38 HH12 ARG 4 2HH1 ARG 4 -6.564 1.255 -2.963 39 HH21 ARG 4 1HH2 ARG 4 -3.314 -0.033 -2.909 40 HH22 ARG 4 2HH2 ARG 4 -4.921 -0.191 -2.286 41 H ARG 5 H ARG 5 -0.648 5.246 -6.591 42 HA ARG 5 HA ARG 5 -1.191 7.234 -8.684 43 HB2 ARG 5 2HB ARG 5 -2.148 7.276 -5.830 44 HB3 ARG 5 3HB ARG 5 -1.976 8.755 -6.766 45 HG2 ARG 5 2HG ARG 5 -3.569 6.482 -7.863 46 HG3 ARG 5 3HG ARG 5 -4.271 7.551 -6.647 47 HD2 ARG 5 2HD ARG 5 -4.890 8.733 -8.472 48 HD3 ARG 5 3HD ARG 5 -3.260 9.386 -8.316 49 HE ARG 5 HE ARG 5 -2.693 8.332 -10.265 50 HH11 ARG 5 1HH1 ARG 5 -5.651 6.957 -9.049 51 HH12 ARG 5 2HH1 ARG 5 -5.938 5.996 -10.462 52 HH21 ARG 5 1HH2 ARG 5 -3.060 7.072 -12.130 53 HH22 ARG 5 2HH2 ARG 5 -4.463 6.061 -12.213 54 H LEU 6 H LEU 6 1.281 6.005 -7.781 55 HA LEU 6 HA LEU 6 2.622 8.305 -6.526 56 HB2 LEU 6 2HB LEU 6 2.817 5.475 -6.129 57 HB3 LEU 6 3HB LEU 6 4.377 6.104 -6.657 58 HG LEU 6 HG LEU 6 4.096 5.955 -4.184 59 HD11 LEU 6 1HD1 LEU 6 5.693 7.489 -4.215 60 HD12 LEU 6 2HD1 LEU 6 4.464 8.753 -4.250 61 HD13 LEU 6 3HD1 LEU 6 5.106 8.105 -5.760 62 HD21 LEU 6 1HD2 LEU 6 2.657 7.440 -3.021 63 HD22 LEU 6 2HD2 LEU 6 1.671 6.626 -4.236 64 HD23 LEU 6 3HD2 LEU 6 2.214 8.283 -4.506 65 H GLY 7 H GLY 7 2.630 6.136 -9.280 66 HA2 GLY 7 2HA GLY 7 5.073 6.767 -10.441 67 HA3 GLY 7 3HA GLY 7 3.633 6.309 -11.338 68 H ARG 8 H ARG 8 2.015 8.529 -10.595 69 HA ARG 8 HA ARG 8 2.987 10.440 -12.500 70 HB2 ARG 8 2HB ARG 8 0.882 11.525 -12.255 71 HB3 ARG 8 3HB ARG 8 0.569 9.796 -12.194 72 HG2 ARG 8 2HG ARG 8 -0.668 10.337 -10.406 73 HG3 ARG 8 3HG ARG 8 0.885 10.331 -9.567 74 HD2 ARG 8 2HD ARG 8 0.196 12.392 -8.932 75 HD3 ARG 8 3HD ARG 8 0.906 12.841 -10.482 76 HE ARG 8 HE ARG 8 -1.836 12.132 -10.752 77 HH11 ARG 8 1HH1 ARG 8 0.294 14.692 -9.737 78 HH12 ARG 8 2HH1 ARG 8 -0.851 15.951 -10.064 79 HH21 ARG 8 1HH2 ARG 8 -3.352 13.780 -11.185 80 HH22 ARG 8 2HH2 ARG 8 -2.925 15.430 -10.887 81 H LYS 9 H LYS 9 2.990 10.133 -9.051 82 HA LYS 9 HA LYS 9 3.531 12.922 -8.548 83 HB2 LYS 9 2HB LYS 9 2.342 11.736 -6.844 84 HB3 LYS 9 3HB LYS 9 3.562 10.470 -6.789 85 HG2 LYS 9 2HG LYS 9 5.060 11.778 -5.617 86 HG3 LYS 9 3HG LYS 9 4.307 13.288 -6.137 87 HD2 LYS 9 2HD LYS 9 2.264 12.477 -4.791 88 HD3 LYS 9 3HD LYS 9 3.392 11.345 -4.041 89 HE2 LYS 9 2HE LYS 9 4.057 14.257 -4.183 90 HE3 LYS 9 3HE LYS 9 2.955 13.664 -2.941 91 HZ1 LYS 9 1HZ LYS 9 5.524 13.781 -2.530 92 HZ2 LYS 9 2HZ LYS 9 5.509 12.278 -3.305 93 HZ3 LYS 9 3HZ LYS 9 4.601 12.512 -1.897 94 H ILE 10 H ILE 10 5.351 10.040 -9.157 95 HA ILE 10 HA ILE 10 7.846 11.385 -8.391 96 HB ILE 10 HB ILE 10 7.464 8.486 -9.142 97 HG12 ILE 10 2HG1 ILE 10 7.724 9.705 -6.385 98 HG13 ILE 10 3HG1 ILE 10 6.216 9.125 -7.084 99 HG21 ILE 10 1HG2 ILE 10 9.675 8.307 -9.053 100 HG22 ILE 10 2HG2 ILE 10 9.770 10.061 -8.909 101 HG23 ILE 10 3HG2 ILE 10 9.716 9.060 -7.459 102 HD11 ILE 10 1HD1 ILE 10 7.380 7.572 -5.483 103 HD12 ILE 10 2HD1 ILE 10 6.956 6.888 -7.053 104 HD13 ILE 10 3HD1 ILE 10 8.620 7.366 -6.719 105 H ALA 11 H ALA 11 6.939 9.068 -10.946 106 HA ALA 11 HA ALA 11 7.569 10.832 -13.079 107 HB1 ALA 11 1HB ALA 11 9.536 8.977 -13.643 108 HB2 ALA 11 2HB ALA 11 9.788 10.635 -13.095 109 HB3 ALA 11 3HB ALA 11 9.758 9.314 -11.926 110 H HIS 12 H HIS 12 6.193 10.193 -14.590 111 HA HIS 12 HA HIS 12 4.777 7.824 -14.634 112 HB2 HIS 12 2HB HIS 12 4.351 9.975 -15.955 113 HB3 HIS 12 3HB HIS 12 5.480 9.336 -17.145 114 HD1 HIS 12 HD1 HIS 12 2.048 9.622 -16.747 115 HD2 HIS 12 HD2 HIS 12 4.509 6.415 -17.706 116 HE1 HIS 12 HE1 HIS 12 0.559 7.952 -17.896 117 H GLY 13 H GLY 13 5.708 5.866 -14.607 118 HA2 GLY 13 2HA GLY 13 6.545 4.041 -15.893 119 HA3 GLY 13 3HA GLY 13 7.465 5.185 -16.860 120 H VAL 14 H VAL 14 7.489 5.550 -13.427 121 HA VAL 14 HA VAL 14 10.317 4.802 -13.398 122 HB VAL 14 HB VAL 14 9.533 7.030 -12.494 123 HG11 VAL 14 1HG1 VAL 14 8.046 7.184 -10.839 124 HG12 VAL 14 2HG1 VAL 14 7.696 5.479 -11.132 125 HG13 VAL 14 3HG1 VAL 14 8.858 5.940 -9.889 126 HG21 VAL 14 1HG2 VAL 14 11.355 5.103 -11.280 127 HG22 VAL 14 2HG2 VAL 14 11.610 6.799 -11.693 128 HG23 VAL 14 3HG2 VAL 14 10.833 6.369 -10.169 129 H LYS 15 H LYS 15 8.174 2.797 -13.431 130 HA LYS 15 HA LYS 15 7.587 1.651 -10.995 131 HB2 LYS 15 2HB LYS 15 7.419 -0.493 -12.203 132 HB3 LYS 15 3HB LYS 15 6.645 0.823 -13.076 133 HG2 LYS 15 2HG LYS 15 8.436 0.955 -14.632 134 HG3 LYS 15 3HG LYS 15 9.431 -0.139 -13.668 135 HD2 LYS 15 2HD LYS 15 6.793 -0.936 -14.884 136 HD3 LYS 15 3HD LYS 15 8.343 -1.164 -15.696 137 HE2 LYS 15 2HE LYS 15 9.056 -2.400 -13.567 138 HE3 LYS 15 3HE LYS 15 7.339 -2.437 -13.169 139 HZ1 LYS 15 1HZ LYS 15 8.699 -4.215 -14.763 140 HZ2 LYS 15 2HZ LYS 15 7.791 -3.284 -15.844 141 HZ3 LYS 15 3HZ LYS 15 7.021 -4.102 -14.579 142 H LYS 16 H LYS 16 10.606 1.670 -12.732 143 HA LYS 16 HA LYS 16 11.834 -0.398 -11.164 144 HB2 LYS 16 2HB LYS 16 13.256 1.685 -12.817 145 HB3 LYS 16 3HB LYS 16 13.829 0.082 -12.375 146 HG2 LYS 16 2HG LYS 16 11.756 -0.732 -13.720 147 HG3 LYS 16 3HG LYS 16 11.834 0.876 -14.444 148 HD2 LYS 16 2HD LYS 16 13.140 -0.386 -15.884 149 HD3 LYS 16 3HD LYS 16 14.343 0.319 -14.801 150 HE2 LYS 16 2HE LYS 16 15.022 -1.868 -14.802 151 HE3 LYS 16 3HE LYS 16 13.918 -1.881 -13.427 152 HZ1 LYS 16 1HZ LYS 16 12.933 -3.563 -14.473 153 HZ2 LYS 16 2HZ LYS 16 13.723 -3.254 -15.936 154 HZ3 LYS 16 3HZ LYS 16 12.307 -2.415 -15.547 155 H TYR 17 H TYR 17 14.281 0.565 -10.472 156 HA TYR 17 HA TYR 17 13.896 1.649 -7.959 157 HB2 TYR 17 2HB TYR 17 16.280 2.004 -7.875 158 HB3 TYR 17 3HB TYR 17 15.970 0.510 -8.752 159 HD1 TYR 17 HD1 TYR 17 16.234 0.451 -11.220 160 HD2 TYR 17 HD2 TYR 17 17.341 3.862 -8.931 161 HE1 TYR 17 HE1 TYR 17 17.569 1.279 -13.112 162 HE2 TYR 17 HE2 TYR 17 18.679 4.700 -10.816 163 HH TYR 17 HH TYR 17 19.471 4.263 -12.850 164 H GLY 18 H GLY 18 14.166 3.249 -11.038 165 HA2 GLY 18 2HA GLY 18 13.651 5.427 -11.603 166 HA3 GLY 18 3HA GLY 18 13.228 5.715 -9.921 Start of MODEL 6 1 H1 ARG 1 H ARG 1 1.919 -3.297 -3.727 2 HA ARG 1 HA ARG 1 -0.257 -1.997 -2.402 3 HB2 ARG 1 2HB ARG 1 1.368 -4.060 -0.935 4 HB3 ARG 1 3HB ARG 1 0.618 -2.715 -0.086 5 HG2 ARG 1 2HG ARG 1 -0.910 -4.632 -1.826 6 HG3 ARG 1 3HG ARG 1 -0.689 -4.849 -0.089 7 HD2 ARG 1 2HD ARG 1 -1.724 -2.237 -1.063 8 HD3 ARG 1 3HD ARG 1 -2.812 -3.624 -1.086 9 HE ARG 1 HE ARG 1 -1.766 -3.664 1.420 10 HH11 ARG 1 1HH1 ARG 1 -3.387 -1.249 -0.493 11 HH12 ARG 1 2HH1 ARG 1 -4.092 -0.452 0.875 12 HH21 ARG 1 1HH2 ARG 1 -2.688 -2.624 3.228 13 HH22 ARG 1 2HH2 ARG 1 -3.693 -1.235 2.991 14 H GLY 2 H GLY 2 0.427 0.035 -2.357 15 HA2 GLY 2 2HA GLY 2 2.055 1.455 -1.027 16 HA3 GLY 2 3HA GLY 2 3.295 0.534 -1.866 17 H LEU 3 H LEU 3 3.329 0.697 -4.243 18 HA LEU 3 HA LEU 3 3.081 3.448 -5.035 19 HB2 LEU 3 2HB LEU 3 4.010 0.971 -6.465 20 HB3 LEU 3 3HB LEU 3 3.949 2.555 -7.235 21 HG LEU 3 HG LEU 3 5.495 2.233 -4.703 22 HD11 LEU 3 1HD1 LEU 3 6.687 1.605 -7.388 23 HD12 LEU 3 2HD1 LEU 3 6.086 0.354 -6.301 24 HD13 LEU 3 3HD1 LEU 3 7.408 1.405 -5.791 25 HD21 LEU 3 1HD2 LEU 3 5.247 4.137 -6.914 26 HD22 LEU 3 2HD2 LEU 3 6.911 3.790 -6.439 27 HD23 LEU 3 3HD2 LEU 3 5.759 4.391 -5.245 28 H ARG 4 H ARG 4 0.846 3.840 -5.010 29 HA ARG 4 HA ARG 4 -0.741 2.388 -7.013 30 HB2 ARG 4 2HB ARG 4 -1.549 4.052 -4.628 31 HB3 ARG 4 3HB ARG 4 -2.694 3.504 -5.845 32 HG2 ARG 4 2HG ARG 4 -1.811 1.150 -5.325 33 HG3 ARG 4 3HG ARG 4 -1.135 1.886 -3.870 34 HD2 ARG 4 2HD ARG 4 -3.304 0.930 -3.382 35 HD3 ARG 4 3HD ARG 4 -3.380 2.688 -3.260 36 HE ARG 4 HE ARG 4 -4.181 2.237 -5.791 37 HH11 ARG 4 1HH1 ARG 4 -5.154 0.892 -2.732 38 HH12 ARG 4 2HH1 ARG 4 -6.786 0.596 -3.233 39 HH21 ARG 4 1HH2 ARG 4 -6.326 1.853 -6.463 40 HH22 ARG 4 2HH2 ARG 4 -7.451 1.142 -5.356 41 H ARG 5 H ARG 5 0.098 5.643 -5.897 42 HA ARG 5 HA ARG 5 -0.494 6.642 -8.589 43 HB2 ARG 5 2HB ARG 5 -1.491 7.818 -5.996 44 HB3 ARG 5 3HB ARG 5 -1.431 8.733 -7.496 45 HG2 ARG 5 2HG ARG 5 -3.090 7.456 -8.492 46 HG3 ARG 5 3HG ARG 5 -2.861 6.110 -7.373 47 HD2 ARG 5 2HD ARG 5 -3.974 8.815 -6.637 48 HD3 ARG 5 3HD ARG 5 -4.939 7.372 -6.947 49 HE ARG 5 HE ARG 5 -3.019 6.836 -4.950 50 HH11 ARG 5 1HH1 ARG 5 -5.995 8.567 -5.469 51 HH12 ARG 5 2HH1 ARG 5 -6.498 8.460 -3.815 52 HH21 ARG 5 1HH2 ARG 5 -3.670 6.690 -2.769 53 HH22 ARG 5 2HH2 ARG 5 -5.174 7.393 -2.279 54 H LEU 6 H LEU 6 1.978 5.974 -7.145 55 HA LEU 6 HA LEU 6 3.209 8.548 -6.596 56 HB2 LEU 6 2HB LEU 6 3.729 5.802 -5.928 57 HB3 LEU 6 3HB LEU 6 5.168 6.540 -6.628 58 HG LEU 6 HG LEU 6 5.066 6.621 -4.140 59 HD11 LEU 6 1HD1 LEU 6 6.459 8.318 -4.429 60 HD12 LEU 6 2HD1 LEU 6 5.087 9.422 -4.512 61 HD13 LEU 6 3HD1 LEU 6 5.717 8.688 -5.986 62 HD21 LEU 6 1HD2 LEU 6 3.521 7.971 -3.000 63 HD22 LEU 6 2HD2 LEU 6 2.553 7.037 -4.140 64 HD23 LEU 6 3HD2 LEU 6 2.947 8.721 -4.489 65 H GLY 7 H GLY 7 3.162 6.092 -9.087 66 HA2 GLY 7 2HA GLY 7 5.433 6.742 -10.541 67 HA3 GLY 7 3HA GLY 7 3.950 6.114 -11.244 68 H ARG 8 H ARG 8 2.270 8.310 -10.559 69 HA ARG 8 HA ARG 8 2.952 10.072 -12.723 70 HB2 ARG 8 2HB ARG 8 0.808 11.205 -12.119 71 HB3 ARG 8 3HB ARG 8 0.642 9.486 -12.447 72 HG2 ARG 8 2HG ARG 8 0.123 8.979 -10.289 73 HG3 ARG 8 3HG ARG 8 1.057 10.325 -9.632 74 HD2 ARG 8 2HD ARG 8 -1.415 10.571 -9.394 75 HD3 ARG 8 3HD ARG 8 -0.631 11.893 -10.258 76 HE ARG 8 HE ARG 8 -1.863 11.351 -12.100 77 HH11 ARG 8 1HH1 ARG 8 -1.833 8.626 -9.934 78 HH12 ARG 8 2HH1 ARG 8 -2.963 7.704 -10.869 79 HH21 ARG 8 1HH2 ARG 8 -3.352 10.148 -13.339 80 HH22 ARG 8 2HH2 ARG 8 -3.826 8.570 -12.806 81 H LYS 9 H LYS 9 3.229 10.111 -9.271 82 HA LYS 9 HA LYS 9 3.599 12.962 -9.069 83 HB2 LYS 9 2HB LYS 9 2.656 11.862 -7.166 84 HB3 LYS 9 3HB LYS 9 3.969 10.694 -7.113 85 HG2 LYS 9 2HG LYS 9 4.157 12.376 -5.349 86 HG3 LYS 9 3HG LYS 9 5.528 12.430 -6.461 87 HD2 LYS 9 2HD LYS 9 4.445 14.310 -7.646 88 HD3 LYS 9 3HD LYS 9 3.143 14.281 -6.454 89 HE2 LYS 9 2HE LYS 9 4.870 16.006 -6.002 90 HE3 LYS 9 3HE LYS 9 4.672 14.845 -4.690 91 HZ1 LYS 9 1HZ LYS 9 6.695 14.224 -6.691 92 HZ2 LYS 9 2HZ LYS 9 6.720 13.986 -5.017 93 HZ3 LYS 9 3HZ LYS 9 7.032 15.520 -5.658 94 H ILE 10 H ILE 10 5.585 10.173 -9.586 95 HA ILE 10 HA ILE 10 8.022 11.755 -9.161 96 HB ILE 10 HB ILE 10 7.811 8.783 -9.644 97 HG12 ILE 10 2HG1 ILE 10 8.187 10.249 -7.024 98 HG13 ILE 10 3HG1 ILE 10 6.683 9.496 -7.544 99 HG21 ILE 10 1HG2 ILE 10 10.029 8.776 -9.735 100 HG22 ILE 10 2HG2 ILE 10 9.995 10.539 -9.729 101 HG23 ILE 10 3HG2 ILE 10 10.136 9.654 -8.210 102 HD11 ILE 10 1HD1 ILE 10 8.149 8.201 -5.926 103 HD12 ILE 10 2HD1 ILE 10 7.570 7.342 -7.354 104 HD13 ILE 10 3HD1 ILE 10 9.229 7.937 -7.295 105 H ALA 11 H ALA 11 7.034 9.195 -11.442 106 HA ALA 11 HA ALA 11 7.358 10.799 -13.752 107 HB1 ALA 11 1HB ALA 11 9.419 9.042 -14.332 108 HB2 ALA 11 2HB ALA 11 9.572 10.763 -13.977 109 HB3 ALA 11 3HB ALA 11 9.758 9.577 -12.685 110 H HIS 12 H HIS 12 5.909 9.929 -15.068 111 HA HIS 12 HA HIS 12 4.707 7.457 -14.794 112 HB2 HIS 12 2HB HIS 12 5.029 9.194 -17.244 113 HB3 HIS 12 3HB HIS 12 4.002 7.764 -17.202 114 HD1 HIS 12 HD1 HIS 12 1.668 8.109 -16.417 115 HD2 HIS 12 HD2 HIS 12 4.171 11.235 -15.311 116 HE1 HIS 12 HE1 HIS 12 0.165 9.841 -15.385 117 H GLY 13 H GLY 13 5.794 5.585 -14.727 118 HA2 GLY 13 2HA GLY 13 6.665 3.740 -15.965 119 HA3 GLY 13 3HA GLY 13 7.404 4.879 -17.081 120 H VAL 14 H VAL 14 7.700 5.541 -13.716 121 HA VAL 14 HA VAL 14 10.565 4.976 -13.882 122 HB VAL 14 HB VAL 14 9.703 7.222 -13.101 123 HG11 VAL 14 1HG1 VAL 14 8.356 7.428 -11.336 124 HG12 VAL 14 2HG1 VAL 14 8.107 5.685 -11.450 125 HG13 VAL 14 3HG1 VAL 14 9.335 6.332 -10.362 126 HG21 VAL 14 1HG2 VAL 14 11.757 5.533 -11.901 127 HG22 VAL 14 2HG2 VAL 14 11.853 7.197 -12.477 128 HG23 VAL 14 3HG2 VAL 14 11.242 6.858 -10.858 129 H LYS 15 H LYS 15 8.576 2.843 -13.549 130 HA LYS 15 HA LYS 15 8.287 1.888 -10.980 131 HB2 LYS 15 2HB LYS 15 8.173 -0.366 -11.987 132 HB3 LYS 15 3HB LYS 15 7.221 0.815 -12.877 133 HG2 LYS 15 2HG LYS 15 9.012 1.004 -14.534 134 HG3 LYS 15 3HG LYS 15 9.952 -0.197 -13.645 135 HD2 LYS 15 2HD LYS 15 8.029 -1.784 -13.955 136 HD3 LYS 15 3HD LYS 15 7.309 -0.592 -15.039 137 HE2 LYS 15 2HE LYS 15 10.001 -1.910 -15.386 138 HE3 LYS 15 3HE LYS 15 8.534 -2.303 -16.281 139 HZ1 LYS 15 1HZ LYS 15 8.529 -0.052 -17.174 140 HZ2 LYS 15 2HZ LYS 15 9.967 -0.852 -17.560 141 HZ3 LYS 15 3HZ LYS 15 9.950 0.307 -16.329 142 H LYS 16 H LYS 16 11.133 1.947 -12.986 143 HA LYS 16 HA LYS 16 12.638 0.101 -11.384 144 HB2 LYS 16 2HB LYS 16 13.779 2.133 -13.295 145 HB3 LYS 16 3HB LYS 16 14.472 0.591 -12.811 146 HG2 LYS 16 2HG LYS 16 12.102 -0.185 -13.911 147 HG3 LYS 16 3HG LYS 16 12.532 1.207 -14.906 148 HD2 LYS 16 2HD LYS 16 13.607 -0.481 -16.036 149 HD3 LYS 16 3HD LYS 16 14.889 0.056 -14.948 150 HE2 LYS 16 2HE LYS 16 14.513 -1.763 -13.471 151 HE3 LYS 16 3HE LYS 16 13.005 -2.194 -14.277 152 HZ1 LYS 16 1HZ LYS 16 15.537 -2.236 -15.779 153 HZ2 LYS 16 2HZ LYS 16 14.117 -3.112 -16.055 154 HZ3 LYS 16 3HZ LYS 16 15.136 -3.536 -14.773 155 H TYR 17 H TYR 17 15.057 1.271 -10.986 156 HA TYR 17 HA TYR 17 14.453 3.129 -8.812 157 HB2 TYR 17 2HB TYR 17 16.732 2.623 -8.026 158 HB3 TYR 17 3HB TYR 17 15.782 1.158 -8.246 159 HD1 TYR 17 HD1 TYR 17 16.325 -0.426 -10.005 160 HD2 TYR 17 HD2 TYR 17 18.609 3.127 -9.489 161 HE1 TYR 17 HE1 TYR 17 18.082 -1.352 -11.455 162 HE2 TYR 17 HE2 TYR 17 20.372 2.210 -10.938 163 HH TYR 17 HH TYR 17 21.014 0.511 -12.208 164 H GLY 18 H GLY 18 14.520 3.905 -11.683 165 HA2 GLY 18 2HA GLY 18 15.435 6.438 -11.606 166 HA3 GLY 18 3HA GLY 18 16.900 5.533 -11.956 Start of MODEL 7 1 H1 ARG 1 H ARG 1 -1.613 -0.077 0.626 2 HA ARG 1 HA ARG 1 0.121 2.226 0.511 3 HB2 ARG 1 2HB ARG 1 1.984 1.193 1.710 4 HB3 ARG 1 3HB ARG 1 0.592 1.391 2.766 5 HG2 ARG 1 2HG ARG 1 0.957 -1.202 1.355 6 HG3 ARG 1 3HG ARG 1 1.979 -0.833 2.746 7 HD2 ARG 1 2HD ARG 1 -0.354 -0.167 3.810 8 HD3 ARG 1 3HD ARG 1 -0.952 -1.304 2.603 9 HE ARG 1 HE ARG 1 -0.052 -3.024 3.822 10 HH11 ARG 1 1HH1 ARG 1 1.251 -0.002 4.956 11 HH12 ARG 1 2HH1 ARG 1 2.033 -0.706 6.333 12 HH21 ARG 1 1HH2 ARG 1 0.972 -3.963 5.631 13 HH22 ARG 1 2HH2 ARG 1 1.874 -2.959 6.715 14 H GLY 2 H GLY 2 1.968 1.899 -0.854 15 HA2 GLY 2 2HA GLY 2 3.145 -0.044 -2.087 16 HA3 GLY 2 3HA GLY 2 1.538 -0.313 -2.745 17 H LEU 3 H LEU 3 2.142 0.078 -4.867 18 HA LEU 3 HA LEU 3 2.756 2.894 -5.469 19 HB2 LEU 3 2HB LEU 3 4.577 1.037 -5.849 20 HB3 LEU 3 3HB LEU 3 3.637 0.718 -7.305 21 HG LEU 3 HG LEU 3 4.899 3.367 -6.601 22 HD11 LEU 3 1HD1 LEU 3 6.683 2.860 -7.945 23 HD12 LEU 3 2HD1 LEU 3 5.791 1.646 -8.862 24 HD13 LEU 3 3HD1 LEU 3 6.357 1.280 -7.232 25 HD21 LEU 3 1HD2 LEU 3 3.012 2.484 -8.663 26 HD22 LEU 3 2HD2 LEU 3 4.407 3.372 -9.277 27 HD23 LEU 3 3HD2 LEU 3 3.361 4.104 -8.059 28 H ARG 4 H ARG 4 0.626 3.438 -5.880 29 HA ARG 4 HA ARG 4 -0.537 2.188 -8.281 30 HB2 ARG 4 2HB ARG 4 -1.990 3.159 -5.815 31 HB3 ARG 4 3HB ARG 4 -2.781 2.668 -7.307 32 HG2 ARG 4 2HG ARG 4 -0.987 0.857 -5.713 33 HG3 ARG 4 3HG ARG 4 -2.736 0.944 -5.492 34 HD2 ARG 4 2HD ARG 4 -3.176 0.024 -7.568 35 HD3 ARG 4 3HD ARG 4 -1.604 0.487 -8.218 36 HE ARG 4 HE ARG 4 -1.148 -1.349 -6.181 37 HH11 ARG 4 1HH1 ARG 4 -2.695 -1.249 -9.299 38 HH12 ARG 4 2HH1 ARG 4 -2.401 -2.921 -9.643 39 HH21 ARG 4 1HH2 ARG 4 -0.755 -3.551 -6.624 40 HH22 ARG 4 2HH2 ARG 4 -1.298 -4.230 -8.121 41 H ARG 5 H ARG 5 -0.229 5.099 -6.310 42 HA ARG 5 HA ARG 5 -0.764 6.694 -8.724 43 HB2 ARG 5 2HB ARG 5 -1.885 7.024 -5.963 44 HB3 ARG 5 3HB ARG 5 -1.668 8.430 -6.997 45 HG2 ARG 5 2HG ARG 5 -3.179 7.586 -8.614 46 HG3 ARG 5 3HG ARG 5 -3.219 5.999 -7.842 47 HD2 ARG 5 2HD ARG 5 -5.226 7.430 -7.407 48 HD3 ARG 5 3HD ARG 5 -4.396 6.860 -5.960 49 HE ARG 5 HE ARG 5 -3.864 9.031 -5.444 50 HH11 ARG 5 1HH1 ARG 5 -4.989 8.863 -8.734 51 HH12 ARG 5 2HH1 ARG 5 -5.069 10.583 -8.932 52 HH21 ARG 5 1HH2 ARG 5 -3.965 11.297 -5.693 53 HH22 ARG 5 2HH2 ARG 5 -4.486 11.966 -7.202 54 H LEU 6 H LEU 6 1.730 5.770 -7.427 55 HA LEU 6 HA LEU 6 2.870 8.288 -6.460 56 HB2 LEU 6 2HB LEU 6 3.228 5.625 -5.719 57 HB3 LEU 6 3HB LEU 6 4.708 6.060 -6.572 58 HG LEU 6 HG LEU 6 4.887 6.356 -4.136 59 HD11 LEU 6 1HD1 LEU 6 6.357 7.953 -4.579 60 HD12 LEU 6 2HD1 LEU 6 5.066 9.137 -4.784 61 HD13 LEU 6 3HD1 LEU 6 5.602 8.171 -6.158 62 HD21 LEU 6 1HD2 LEU 6 3.581 7.844 -2.914 63 HD22 LEU 6 2HD2 LEU 6 2.411 7.041 -3.962 64 HD23 LEU 6 3HD2 LEU 6 2.985 8.662 -4.358 65 H GLY 7 H GLY 7 3.163 5.923 -9.051 66 HA2 GLY 7 2HA GLY 7 5.510 6.785 -10.261 67 HA3 GLY 7 3HA GLY 7 4.155 6.064 -11.117 68 H ARG 8 H ARG 8 2.316 8.219 -10.349 69 HA ARG 8 HA ARG 8 2.898 9.991 -12.525 70 HB2 ARG 8 2HB ARG 8 0.769 11.094 -11.864 71 HB3 ARG 8 3HB ARG 8 0.607 9.363 -12.123 72 HG2 ARG 8 2HG ARG 8 0.556 8.950 -9.764 73 HG3 ARG 8 3HG ARG 8 0.931 10.640 -9.418 74 HD2 ARG 8 2HD ARG 8 -1.548 9.678 -10.840 75 HD3 ARG 8 3HD ARG 8 -1.466 10.081 -9.126 76 HE ARG 8 HE ARG 8 -0.564 12.328 -10.322 77 HH11 ARG 8 1HH1 ARG 8 -3.403 10.364 -10.773 78 HH12 ARG 8 2HH1 ARG 8 -4.396 11.688 -11.286 79 HH21 ARG 8 1HH2 ARG 8 -1.861 14.079 -10.997 80 HH22 ARG 8 2HH2 ARG 8 -3.518 13.800 -11.414 81 H LYS 9 H LYS 9 3.295 10.061 -9.079 82 HA LYS 9 HA LYS 9 3.703 12.922 -8.960 83 HB2 LYS 9 2HB LYS 9 2.718 11.913 -7.028 84 HB3 LYS 9 3HB LYS 9 3.999 10.713 -6.926 85 HG2 LYS 9 2HG LYS 9 5.553 12.270 -6.134 86 HG3 LYS 9 3HG LYS 9 4.567 13.643 -6.641 87 HD2 LYS 9 2HD LYS 9 3.615 11.686 -4.569 88 HD3 LYS 9 3HD LYS 9 4.619 13.075 -4.145 89 HE2 LYS 9 2HE LYS 9 2.095 13.383 -5.740 90 HE3 LYS 9 3HE LYS 9 2.072 13.331 -3.978 91 HZ1 LYS 9 1HZ LYS 9 2.273 15.587 -5.243 92 HZ2 LYS 9 2HZ LYS 9 3.915 15.185 -5.306 93 HZ3 LYS 9 3HZ LYS 9 3.137 15.328 -3.811 94 H ILE 10 H ILE 10 5.614 10.060 -9.360 95 HA ILE 10 HA ILE 10 8.096 11.565 -8.941 96 HB ILE 10 HB ILE 10 7.770 8.604 -9.433 97 HG12 ILE 10 2HG1 ILE 10 8.248 10.039 -6.813 98 HG13 ILE 10 3HG1 ILE 10 6.692 9.392 -7.322 99 HG21 ILE 10 1HG2 ILE 10 9.987 8.490 -9.517 100 HG22 ILE 10 2HG2 ILE 10 10.023 10.252 -9.560 101 HG23 ILE 10 3HG2 ILE 10 10.141 9.406 -8.017 102 HD11 ILE 10 1HD1 ILE 10 8.234 8.029 -5.734 103 HD12 ILE 10 2HD1 ILE 10 7.351 7.216 -7.026 104 HD13 ILE 10 3HD1 ILE 10 9.062 7.593 -7.228 105 H ALA 11 H ALA 11 7.120 9.013 -11.232 106 HA ALA 11 HA ALA 11 7.538 10.650 -13.529 107 HB1 ALA 11 1HB ALA 11 9.458 8.851 -14.203 108 HB2 ALA 11 2HB ALA 11 9.775 10.471 -13.580 109 HB3 ALA 11 3HB ALA 11 9.791 9.087 -12.487 110 H HIS 12 H HIS 12 6.012 9.917 -14.843 111 HA HIS 12 HA HIS 12 4.638 7.533 -14.624 112 HB2 HIS 12 2HB HIS 12 5.094 9.238 -17.079 113 HB3 HIS 12 3HB HIS 12 3.905 7.942 -16.980 114 HD1 HIS 12 HD1 HIS 12 1.766 8.398 -15.628 115 HD2 HIS 12 HD2 HIS 12 4.434 11.582 -15.674 116 HE1 HIS 12 HE1 HIS 12 0.485 10.361 -14.718 117 H GLY 13 H GLY 13 5.637 5.604 -14.562 118 HA2 GLY 13 2HA GLY 13 6.367 3.716 -15.827 119 HA3 GLY 13 3HA GLY 13 7.156 4.815 -16.950 120 H VAL 14 H VAL 14 7.505 5.319 -13.539 121 HA VAL 14 HA VAL 14 10.350 4.682 -13.773 122 HB VAL 14 HB VAL 14 9.565 6.901 -12.847 123 HG11 VAL 14 1HG1 VAL 14 8.240 7.037 -11.059 124 HG12 VAL 14 2HG1 VAL 14 7.942 5.311 -11.271 125 HG13 VAL 14 3HG1 VAL 14 9.199 5.860 -10.163 126 HG21 VAL 14 1HG2 VAL 14 11.579 5.081 -11.777 127 HG22 VAL 14 2HG2 VAL 14 11.719 6.774 -12.251 128 HG23 VAL 14 3HG2 VAL 14 11.115 6.355 -10.648 129 H LYS 15 H LYS 15 8.300 2.594 -13.547 130 HA LYS 15 HA LYS 15 8.008 1.492 -11.038 131 HB2 LYS 15 2HB LYS 15 7.893 -0.716 -12.214 132 HB3 LYS 15 3HB LYS 15 6.863 0.529 -12.910 133 HG2 LYS 15 2HG LYS 15 8.515 0.915 -14.668 134 HG3 LYS 15 3HG LYS 15 9.546 -0.337 -13.971 135 HD2 LYS 15 2HD LYS 15 8.396 -1.392 -15.733 136 HD3 LYS 15 3HD LYS 15 7.566 -1.910 -14.263 137 HE2 LYS 15 2HE LYS 15 5.759 -1.340 -15.531 138 HE3 LYS 15 3HE LYS 15 6.089 0.222 -14.783 139 HZ1 LYS 15 1HZ LYS 15 5.983 -0.354 -17.485 140 HZ2 LYS 15 2HZ LYS 15 7.615 -0.070 -17.145 141 HZ3 LYS 15 3HZ LYS 15 6.456 1.103 -16.766 142 H LYS 16 H LYS 16 10.833 1.587 -13.071 143 HA LYS 16 HA LYS 16 12.296 -0.394 -11.592 144 HB2 LYS 16 2HB LYS 16 13.457 1.700 -13.426 145 HB3 LYS 16 3HB LYS 16 14.139 0.134 -13.009 146 HG2 LYS 16 2HG LYS 16 11.904 -0.739 -14.109 147 HG3 LYS 16 3HG LYS 16 11.988 0.819 -14.935 148 HD2 LYS 16 2HD LYS 16 13.192 -0.473 -16.392 149 HD3 LYS 16 3HD LYS 16 14.490 0.085 -15.334 150 HE2 LYS 16 2HE LYS 16 14.874 -2.206 -15.516 151 HE3 LYS 16 3HE LYS 16 14.023 -2.048 -13.979 152 HZ1 LYS 16 1HZ LYS 16 13.325 -3.669 -16.079 153 HZ2 LYS 16 2HZ LYS 16 12.208 -2.401 -16.143 154 HZ3 LYS 16 3HZ LYS 16 12.375 -3.309 -14.726 155 H TYR 17 H TYR 17 14.757 0.674 -11.166 156 HA TYR 17 HA TYR 17 14.240 2.439 -8.894 157 HB2 TYR 17 2HB TYR 17 16.338 1.727 -8.017 158 HB3 TYR 17 3HB TYR 17 15.546 0.286 -8.643 159 HD1 TYR 17 HD1 TYR 17 16.247 -0.563 -10.940 160 HD2 TYR 17 HD2 TYR 17 18.472 2.344 -8.771 161 HE1 TYR 17 HE1 TYR 17 18.223 -1.055 -12.319 162 HE2 TYR 17 HE2 TYR 17 20.454 1.860 -10.145 163 HH TYR 17 HH TYR 17 20.321 0.113 -13.013 164 H GLY 18 H GLY 18 14.378 3.287 -11.782 165 HA2 GLY 18 2HA GLY 18 16.636 5.176 -11.567 166 HA3 GLY 18 3HA GLY 18 15.932 4.637 -13.084 Start of MODEL 8 1 H1 ARG 1 H ARG 1 0.743 -3.866 -2.347 2 HA ARG 1 HA ARG 1 -1.565 -2.581 -2.427 3 HB2 ARG 1 2HB ARG 1 -1.358 -2.057 0.000 4 HB3 ARG 1 3HB ARG 1 -0.878 -3.698 -0.410 5 HG2 ARG 1 2HG ARG 1 1.214 -1.588 -0.291 6 HG3 ARG 1 3HG ARG 1 0.556 -2.228 1.217 7 HD2 ARG 1 2HD ARG 1 1.004 -4.537 0.005 8 HD3 ARG 1 3HD ARG 1 2.188 -3.572 -0.874 9 HE ARG 1 HE ARG 1 2.452 -3.133 1.902 10 HH11 ARG 1 1HH1 ARG 1 3.062 -5.530 -0.548 11 HH12 ARG 1 2HH1 ARG 1 4.390 -6.249 0.301 12 HH21 ARG 1 1HH2 ARG 1 4.198 -4.071 3.030 13 HH22 ARG 1 2HH2 ARG 1 5.035 -5.419 2.337 14 H GLY 2 H GLY 2 1.518 -0.989 -2.419 15 HA2 GLY 2 2HA GLY 2 0.171 1.631 -2.261 16 HA3 GLY 2 3HA GLY 2 1.864 1.352 -1.883 17 H LEU 3 H LEU 3 2.187 3.178 -3.365 18 HA LEU 3 HA LEU 3 2.892 4.032 -5.351 19 HB2 LEU 3 2HB LEU 3 3.860 1.499 -5.260 20 HB3 LEU 3 3HB LEU 3 2.933 1.451 -6.758 21 HG LEU 3 HG LEU 3 5.225 1.955 -7.263 22 HD11 LEU 3 1HD1 LEU 3 3.542 4.446 -7.488 23 HD12 LEU 3 2HD1 LEU 3 3.506 3.076 -8.597 24 HD13 LEU 3 3HD1 LEU 3 4.964 4.057 -8.455 25 HD21 LEU 3 1HD2 LEU 3 5.418 4.565 -6.035 26 HD22 LEU 3 2HD2 LEU 3 6.543 3.208 -5.982 27 HD23 LEU 3 3HD2 LEU 3 5.211 3.295 -4.829 28 H ARG 4 H ARG 4 0.084 3.802 -4.874 29 HA ARG 4 HA ARG 4 -1.098 3.058 -7.424 30 HB2 ARG 4 2HB ARG 4 -2.240 4.017 -4.807 31 HB3 ARG 4 3HB ARG 4 -3.228 3.856 -6.253 32 HG2 ARG 4 2HG ARG 4 -1.669 1.629 -4.957 33 HG3 ARG 4 3HG ARG 4 -3.402 1.910 -4.774 34 HD2 ARG 4 2HD ARG 4 -1.930 1.239 -7.318 35 HD3 ARG 4 3HD ARG 4 -3.037 0.194 -6.429 36 HE ARG 4 HE ARG 4 -3.732 2.261 -8.280 37 HH11 ARG 4 1HH1 ARG 4 -4.796 0.510 -5.466 38 HH12 ARG 4 2HH1 ARG 4 -6.479 0.779 -5.774 39 HH21 ARG 4 1HH2 ARG 4 -5.945 2.623 -8.697 40 HH22 ARG 4 2HH2 ARG 4 -7.132 1.980 -7.613 41 H ARG 5 H ARG 5 -0.358 5.941 -5.555 42 HA ARG 5 HA ARG 5 -0.928 7.555 -7.940 43 HB2 ARG 5 2HB ARG 5 -1.911 8.033 -5.138 44 HB3 ARG 5 3HB ARG 5 -1.716 9.362 -6.274 45 HG2 ARG 5 2HG ARG 5 -3.298 8.353 -7.790 46 HG3 ARG 5 3HG ARG 5 -3.433 6.935 -6.748 47 HD2 ARG 5 2HD ARG 5 -4.206 9.756 -6.009 48 HD3 ARG 5 3HD ARG 5 -5.321 8.461 -6.443 49 HE ARG 5 HE ARG 5 -4.038 8.858 -3.913 50 HH11 ARG 5 1HH1 ARG 5 -5.407 6.483 -6.058 51 HH12 ARG 5 2HH1 ARG 5 -5.773 5.359 -4.791 52 HH21 ARG 5 1HH2 ARG 5 -4.515 7.387 -2.236 53 HH22 ARG 5 2HH2 ARG 5 -5.267 5.875 -2.617 54 H LEU 6 H LEU 6 1.549 6.504 -6.802 55 HA LEU 6 HA LEU 6 2.865 8.972 -5.903 56 HB2 LEU 6 2HB LEU 6 3.055 6.301 -5.054 57 HB3 LEU 6 3HB LEU 6 4.574 6.664 -5.871 58 HG LEU 6 HG LEU 6 4.665 7.020 -3.429 59 HD11 LEU 6 1HD1 LEU 6 6.199 8.587 -3.788 60 HD12 LEU 6 2HD1 LEU 6 4.981 9.770 -4.265 61 HD13 LEU 6 3HD1 LEU 6 5.632 8.645 -5.457 62 HD21 LEU 6 1HD2 LEU 6 3.385 8.605 -2.313 63 HD22 LEU 6 2HD2 LEU 6 2.220 7.845 -3.397 64 HD23 LEU 6 3HD2 LEU 6 2.910 9.418 -3.804 65 H GLY 7 H GLY 7 2.820 6.553 -8.424 66 HA2 GLY 7 2HA GLY 7 5.256 7.083 -9.680 67 HA3 GLY 7 3HA GLY 7 3.814 6.488 -10.490 68 H ARG 8 H ARG 8 2.270 8.892 -9.716 69 HA ARG 8 HA ARG 8 3.012 10.512 -11.974 70 HB2 ARG 8 2HB ARG 8 0.840 10.956 -9.918 71 HB3 ARG 8 3HB ARG 8 0.997 11.793 -11.457 72 HG2 ARG 8 2HG ARG 8 0.498 8.844 -11.107 73 HG3 ARG 8 3HG ARG 8 -0.711 10.055 -11.540 74 HD2 ARG 8 2HD ARG 8 1.047 10.575 -13.456 75 HD3 ARG 8 3HD ARG 8 1.494 8.895 -13.159 76 HE ARG 8 HE ARG 8 -1.228 8.856 -13.410 77 HH11 ARG 8 1HH1 ARG 8 1.424 9.944 -15.386 78 HH12 ARG 8 2HH1 ARG 8 0.605 9.637 -16.882 79 HH21 ARG 8 1HH2 ARG 8 -2.316 8.448 -15.372 80 HH22 ARG 8 2HH2 ARG 8 -1.522 8.787 -16.873 81 H LYS 9 H LYS 9 3.419 10.630 -8.533 82 HA LYS 9 HA LYS 9 4.102 13.437 -8.473 83 HB2 LYS 9 2HB LYS 9 3.054 12.556 -6.511 84 HB3 LYS 9 3HB LYS 9 4.219 11.243 -6.404 85 HG2 LYS 9 2HG LYS 9 5.731 12.503 -5.334 86 HG3 LYS 9 3HG LYS 9 5.395 13.927 -6.321 87 HD2 LYS 9 2HD LYS 9 3.408 12.995 -4.285 88 HD3 LYS 9 3HD LYS 9 4.804 13.958 -3.793 89 HE2 LYS 9 2HE LYS 9 3.425 15.688 -4.227 90 HE3 LYS 9 3HE LYS 9 3.938 15.410 -5.891 91 HZ1 LYS 9 1HZ LYS 9 1.692 13.807 -5.029 92 HZ2 LYS 9 2HZ LYS 9 1.923 14.661 -6.470 93 HZ3 LYS 9 3HZ LYS 9 1.385 15.470 -5.086 94 H ILE 10 H ILE 10 5.736 10.406 -8.848 95 HA ILE 10 HA ILE 10 8.351 11.684 -8.485 96 HB ILE 10 HB ILE 10 7.763 8.756 -8.926 97 HG12 ILE 10 2HG1 ILE 10 8.341 10.198 -6.329 98 HG13 ILE 10 3HG1 ILE 10 6.749 9.638 -6.830 99 HG21 ILE 10 1HG2 ILE 10 9.965 8.405 -8.900 100 HG22 ILE 10 2HG2 ILE 10 10.132 10.140 -9.164 101 HG23 ILE 10 3HG2 ILE 10 10.204 9.486 -7.527 102 HD11 ILE 10 1HD1 ILE 10 8.051 8.188 -5.202 103 HD12 ILE 10 2HD1 ILE 10 7.352 7.391 -6.612 104 HD13 ILE 10 3HD1 ILE 10 9.075 7.767 -6.574 105 H ALA 11 H ALA 11 7.014 9.257 -10.735 106 HA ALA 11 HA ALA 11 7.499 10.759 -13.068 107 HB1 ALA 11 1HB ALA 11 9.387 8.882 -13.695 108 HB2 ALA 11 2HB ALA 11 9.721 10.547 -13.214 109 HB3 ALA 11 3HB ALA 11 9.771 9.256 -12.014 110 H HIS 12 H HIS 12 5.940 10.004 -14.328 111 HA HIS 12 HA HIS 12 4.556 7.632 -14.005 112 HB2 HIS 12 2HB HIS 12 3.661 9.459 -15.328 113 HB3 HIS 12 3HB HIS 12 4.945 9.269 -16.518 114 HD1 HIS 12 HD1 HIS 12 3.249 6.228 -15.185 115 HD2 HIS 12 HD2 HIS 12 3.063 8.692 -18.526 116 HE1 HIS 12 HE1 HIS 12 1.836 4.989 -16.856 117 H GLY 13 H GLY 13 5.584 5.714 -13.908 118 HA2 GLY 13 2HA GLY 13 6.257 3.790 -15.160 119 HA3 GLY 13 3HA GLY 13 7.015 4.860 -16.330 120 H VAL 14 H VAL 14 7.463 5.432 -12.940 121 HA VAL 14 HA VAL 14 10.301 4.795 -13.246 122 HB VAL 14 HB VAL 14 9.538 7.025 -12.330 123 HG11 VAL 14 1HG1 VAL 14 8.265 7.186 -10.506 124 HG12 VAL 14 2HG1 VAL 14 7.962 5.457 -10.686 125 HG13 VAL 14 3HG1 VAL 14 9.250 6.022 -9.621 126 HG21 VAL 14 1HG2 VAL 14 11.586 5.226 -11.293 127 HG22 VAL 14 2HG2 VAL 14 11.708 6.913 -11.793 128 HG23 VAL 14 3HG2 VAL 14 11.151 6.513 -10.168 129 H LYS 15 H LYS 15 8.265 2.705 -12.930 130 HA LYS 15 HA LYS 15 8.044 1.639 -10.400 131 HB2 LYS 15 2HB LYS 15 7.838 -0.564 -11.504 132 HB3 LYS 15 3HB LYS 15 6.880 0.680 -12.297 133 HG2 LYS 15 2HG LYS 15 8.866 0.931 -13.890 134 HG3 LYS 15 3HG LYS 15 9.418 -0.610 -13.229 135 HD2 LYS 15 2HD LYS 15 7.399 -1.701 -13.941 136 HD3 LYS 15 3HD LYS 15 6.691 -0.163 -14.438 137 HE2 LYS 15 2HE LYS 15 7.418 -0.986 -16.456 138 HE3 LYS 15 3HE LYS 15 8.811 -0.024 -15.965 139 HZ1 LYS 15 1HZ LYS 15 10.037 -1.841 -16.131 140 HZ2 LYS 15 2HZ LYS 15 8.682 -2.786 -16.495 141 HZ3 LYS 15 3HZ LYS 15 9.148 -2.561 -14.885 142 H LYS 16 H LYS 16 10.815 1.709 -12.509 143 HA LYS 16 HA LYS 16 12.325 -0.240 -11.035 144 HB2 LYS 16 2HB LYS 16 13.420 1.825 -12.942 145 HB3 LYS 16 3HB LYS 16 14.132 0.277 -12.506 146 HG2 LYS 16 2HG LYS 16 11.980 -0.726 -13.540 147 HG3 LYS 16 3HG LYS 16 11.825 0.853 -14.314 148 HD2 LYS 16 2HD LYS 16 13.011 -0.390 -15.882 149 HD3 LYS 16 3HD LYS 16 14.281 0.490 -15.028 150 HE2 LYS 16 2HE LYS 16 14.722 -1.470 -13.647 151 HE3 LYS 16 3HE LYS 16 13.427 -2.348 -14.460 152 HZ1 LYS 16 1HZ LYS 16 14.632 -2.420 -16.445 153 HZ2 LYS 16 2HZ LYS 16 15.779 -2.771 -15.252 154 HZ3 LYS 16 3HZ LYS 16 15.726 -1.229 -15.947 155 H TYR 17 H TYR 17 14.795 0.855 -10.706 156 HA TYR 17 HA TYR 17 14.644 2.073 -8.210 157 HB2 TYR 17 2HB TYR 17 17.065 2.627 -8.570 158 HB3 TYR 17 3HB TYR 17 16.656 0.941 -8.863 159 HD1 TYR 17 HD1 TYR 17 17.180 -0.068 -10.909 160 HD2 TYR 17 HD2 TYR 17 17.250 4.175 -10.599 161 HE1 TYR 17 HE1 TYR 17 18.181 0.073 -13.151 162 HE2 TYR 17 HE2 TYR 17 18.251 4.328 -12.841 163 HH TYR 17 HH TYR 17 19.791 2.367 -14.304 164 H GLY 18 H GLY 18 14.461 3.447 -11.377 165 HA2 GLY 18 2HA GLY 18 13.603 5.961 -10.405 166 HA3 GLY 18 3HA GLY 18 15.283 6.069 -10.907 Start of MODEL 9 1 H1 ARG 1 H ARG 1 6.017 -0.437 -2.060 2 HA ARG 1 HA ARG 1 4.036 -2.282 -1.595 3 HB2 ARG 1 2HB ARG 1 3.942 -1.298 0.739 4 HB3 ARG 1 3HB ARG 1 5.535 -1.779 0.170 5 HG2 ARG 1 2HG ARG 1 6.065 0.540 -0.349 6 HG3 ARG 1 3HG ARG 1 4.457 1.033 0.187 7 HD2 ARG 1 2HD ARG 1 6.603 -0.245 1.879 8 HD3 ARG 1 3HD ARG 1 6.091 1.442 1.933 9 HE ARG 1 HE ARG 1 3.832 -0.085 2.401 10 HH11 ARG 1 1HH1 ARG 1 6.928 0.449 3.901 11 HH12 ARG 1 2HH1 ARG 1 6.351 0.137 5.505 12 HH21 ARG 1 1HH2 ARG 1 3.060 -0.499 4.508 13 HH22 ARG 1 2HH2 ARG 1 4.151 -0.403 5.849 14 H GLY 2 H GLY 2 2.557 -1.264 -3.340 15 HA2 GLY 2 2HA GLY 2 0.189 -0.811 -3.243 16 HA3 GLY 2 3HA GLY 2 0.501 0.284 -1.904 17 H LEU 3 H LEU 3 1.994 -0.010 -5.121 18 HA LEU 3 HA LEU 3 1.945 2.843 -5.461 19 HB2 LEU 3 2HB LEU 3 2.719 0.626 -7.351 20 HB3 LEU 3 3HB LEU 3 2.939 2.345 -7.672 21 HG LEU 3 HG LEU 3 4.192 1.167 -5.236 22 HD11 LEU 3 1HD1 LEU 3 5.188 0.816 -8.055 23 HD12 LEU 3 2HD1 LEU 3 4.850 -0.440 -6.865 24 HD13 LEU 3 3HD1 LEU 3 6.209 0.658 -6.626 25 HD21 LEU 3 1HD2 LEU 3 4.503 3.530 -6.983 26 HD22 LEU 3 2HD2 LEU 3 5.984 2.842 -6.315 27 HD23 LEU 3 3HD2 LEU 3 4.692 3.373 -5.237 28 H ARG 4 H ARG 4 -0.224 3.437 -5.497 29 HA ARG 4 HA ARG 4 -1.877 2.344 -7.659 30 HB2 ARG 4 2HB ARG 4 -2.665 2.545 -5.202 31 HB3 ARG 4 3HB ARG 4 -2.834 4.261 -5.551 32 HG2 ARG 4 2HG ARG 4 -4.962 3.318 -5.875 33 HG3 ARG 4 3HG ARG 4 -4.306 3.593 -7.490 34 HD2 ARG 4 2HD ARG 4 -3.462 1.133 -7.250 35 HD3 ARG 4 3HD ARG 4 -4.718 1.027 -6.017 36 HE ARG 4 HE ARG 4 -6.254 0.926 -7.694 37 HH11 ARG 4 1HH1 ARG 4 -3.367 2.424 -8.936 38 HH12 ARG 4 2HH1 ARG 4 -3.962 2.527 -10.560 39 HH21 ARG 4 1HH2 ARG 4 -7.049 1.056 -9.828 40 HH22 ARG 4 2HH2 ARG 4 -6.057 1.749 -11.066 41 H ARG 5 H ARG 5 -0.735 5.425 -6.325 42 HA ARG 5 HA ARG 5 -1.042 6.613 -8.986 43 HB2 ARG 5 2HB ARG 5 -2.103 7.767 -6.406 44 HB3 ARG 5 3HB ARG 5 -1.865 8.726 -7.861 45 HG2 ARG 5 2HG ARG 5 -3.622 7.767 -8.953 46 HG3 ARG 5 3HG ARG 5 -3.481 6.245 -8.070 47 HD2 ARG 5 2HD ARG 5 -5.363 7.067 -7.083 48 HD3 ARG 5 3HD ARG 5 -4.150 7.793 -6.030 49 HE ARG 5 HE ARG 5 -4.720 9.860 -6.847 50 HH11 ARG 5 1HH1 ARG 5 -6.085 7.391 -8.887 51 HH12 ARG 5 2HH1 ARG 5 -7.051 8.500 -9.803 52 HH21 ARG 5 1HH2 ARG 5 -5.988 11.329 -8.045 53 HH22 ARG 5 2HH2 ARG 5 -6.995 10.739 -9.324 54 H LEU 6 H LEU 6 1.228 5.637 -7.362 55 HA LEU 6 HA LEU 6 2.655 8.040 -6.590 56 HB2 LEU 6 2HB LEU 6 2.883 5.210 -6.098 57 HB3 LEU 6 3HB LEU 6 4.430 5.878 -6.615 58 HG LEU 6 HG LEU 6 4.109 5.778 -4.144 59 HD11 LEU 6 1HD1 LEU 6 5.667 7.352 -4.203 60 HD12 LEU 6 2HD1 LEU 6 4.400 8.576 -4.255 61 HD13 LEU 6 3HD1 LEU 6 5.066 7.934 -5.756 62 HD21 LEU 6 1HD2 LEU 6 2.590 7.199 -3.036 63 HD22 LEU 6 2HD2 LEU 6 1.654 6.396 -4.297 64 HD23 LEU 6 3HD2 LEU 6 2.190 8.062 -4.521 65 H GLY 7 H GLY 7 2.581 5.743 -9.232 66 HA2 GLY 7 2HA GLY 7 5.001 6.286 -10.481 67 HA3 GLY 7 3HA GLY 7 3.532 5.810 -11.321 68 H ARG 8 H ARG 8 1.981 8.105 -10.600 69 HA ARG 8 HA ARG 8 2.959 9.921 -12.610 70 HB2 ARG 8 2HB ARG 8 0.854 11.125 -12.238 71 HB3 ARG 8 3HB ARG 8 0.575 9.405 -12.475 72 HG2 ARG 8 2HG ARG 8 0.166 9.066 -10.161 73 HG3 ARG 8 3HG ARG 8 0.723 10.692 -9.763 74 HD2 ARG 8 2HD ARG 8 -1.209 11.349 -11.463 75 HD3 ARG 8 3HD ARG 8 -1.849 9.791 -10.942 76 HE ARG 8 HE ARG 8 -2.303 10.696 -8.881 77 HH11 ARG 8 1HH1 ARG 8 -0.239 12.853 -10.671 78 HH12 ARG 8 2HH1 ARG 8 -0.395 14.153 -9.537 79 HH21 ARG 8 1HH2 ARG 8 -2.517 12.400 -7.380 80 HH22 ARG 8 2HH2 ARG 8 -1.690 13.894 -7.665 81 H LYS 9 H LYS 9 2.938 9.742 -9.152 82 HA LYS 9 HA LYS 9 3.472 12.545 -8.741 83 HB2 LYS 9 2HB LYS 9 2.296 11.404 -6.997 84 HB3 LYS 9 3HB LYS 9 3.525 10.149 -6.906 85 HG2 LYS 9 2HG LYS 9 5.001 11.486 -5.756 86 HG3 LYS 9 3HG LYS 9 4.280 12.981 -6.357 87 HD2 LYS 9 2HD LYS 9 2.563 12.927 -4.820 88 HD3 LYS 9 3HD LYS 9 2.661 11.176 -4.614 89 HE2 LYS 9 2HE LYS 9 3.560 11.938 -2.631 90 HE3 LYS 9 3HE LYS 9 5.005 11.697 -3.612 91 HZ1 LYS 9 1HZ LYS 9 3.942 14.311 -3.963 92 HZ2 LYS 9 2HZ LYS 9 5.492 13.843 -3.474 93 HZ3 LYS 9 3HZ LYS 9 4.257 14.007 -2.329 94 H ILE 10 H ILE 10 5.310 9.658 -9.267 95 HA ILE 10 HA ILE 10 7.798 11.040 -8.545 96 HB ILE 10 HB ILE 10 7.437 8.121 -9.221 97 HG12 ILE 10 2HG1 ILE 10 7.683 9.411 -6.496 98 HG13 ILE 10 3HG1 ILE 10 6.182 8.798 -7.181 99 HG21 ILE 10 1HG2 ILE 10 9.647 7.929 -9.074 100 HG22 ILE 10 2HG2 ILE 10 9.728 9.690 -9.079 101 HG23 ILE 10 3HG2 ILE 10 9.685 8.814 -7.549 102 HD11 ILE 10 1HD1 ILE 10 7.401 7.311 -5.532 103 HD12 ILE 10 2HD1 ILE 10 6.910 6.577 -7.060 104 HD13 ILE 10 3HD1 ILE 10 8.590 7.053 -6.809 105 H ALA 11 H ALA 11 6.868 8.671 -11.045 106 HA ALA 11 HA ALA 11 7.489 10.376 -13.221 107 HB1 ALA 11 1HB ALA 11 9.474 8.548 -13.762 108 HB2 ALA 11 2HB ALA 11 9.714 10.207 -13.215 109 HB3 ALA 11 3HB ALA 11 9.694 8.887 -12.046 110 H HIS 12 H HIS 12 6.112 9.683 -14.708 111 HA HIS 12 HA HIS 12 4.724 7.297 -14.685 112 HB2 HIS 12 2HB HIS 12 5.356 9.237 -16.895 113 HB3 HIS 12 3HB HIS 12 4.407 7.786 -17.208 114 HD1 HIS 12 HD1 HIS 12 2.106 7.605 -15.861 115 HD2 HIS 12 HD2 HIS 12 3.964 11.321 -15.791 116 HE1 HIS 12 HE1 HIS 12 0.341 9.226 -15.099 117 H GLY 13 H GLY 13 5.698 5.360 -14.596 118 HA2 GLY 13 2HA GLY 13 6.546 3.508 -15.837 119 HA3 GLY 13 3HA GLY 13 7.439 4.635 -16.848 120 H VAL 14 H VAL 14 7.462 5.030 -13.404 121 HA VAL 14 HA VAL 14 10.318 4.394 -13.389 122 HB VAL 14 HB VAL 14 9.450 6.586 -12.473 123 HG11 VAL 14 1HG1 VAL 14 7.962 6.673 -10.816 124 HG12 VAL 14 2HG1 VAL 14 7.684 4.955 -11.107 125 HG13 VAL 14 3HG1 VAL 14 8.831 5.466 -9.869 126 HG21 VAL 14 1HG2 VAL 14 11.353 4.728 -11.275 127 HG22 VAL 14 2HG2 VAL 14 11.538 6.435 -11.680 128 HG23 VAL 14 3HG2 VAL 14 10.785 5.967 -10.156 129 H LYS 15 H LYS 15 8.254 2.306 -13.421 130 HA LYS 15 HA LYS 15 7.722 1.129 -10.987 131 HB2 LYS 15 2HB LYS 15 7.661 -1.024 -12.211 132 HB3 LYS 15 3HB LYS 15 6.795 0.259 -13.047 133 HG2 LYS 15 2HG LYS 15 8.914 0.591 -14.409 134 HG3 LYS 15 3HG LYS 15 9.455 -0.947 -13.733 135 HD2 LYS 15 2HD LYS 15 7.137 -1.809 -14.555 136 HD3 LYS 15 3HD LYS 15 7.184 -0.386 -15.598 137 HE2 LYS 15 2HE LYS 15 9.485 -1.186 -16.323 138 HE3 LYS 15 3HE LYS 15 9.097 -2.705 -15.517 139 HZ1 LYS 15 1HZ LYS 15 7.442 -3.185 -17.029 140 HZ2 LYS 15 2HZ LYS 15 8.603 -2.451 -18.016 141 HZ3 LYS 15 3HZ LYS 15 7.247 -1.575 -17.511 142 H LYS 16 H LYS 16 10.732 1.273 -12.735 143 HA LYS 16 HA LYS 16 12.046 -0.750 -11.176 144 HB2 LYS 16 2HB LYS 16 13.371 1.391 -12.838 145 HB3 LYS 16 3HB LYS 16 14.021 -0.180 -12.389 146 HG2 LYS 16 2HG LYS 16 12.086 -1.166 -13.734 147 HG3 LYS 16 3HG LYS 16 11.888 0.459 -14.395 148 HD2 LYS 16 2HD LYS 16 13.302 -0.484 -15.948 149 HD3 LYS 16 3HD LYS 16 14.460 0.264 -14.845 150 HE2 LYS 16 2HE LYS 16 15.280 -1.907 -15.253 151 HE3 LYS 16 3HE LYS 16 14.548 -1.971 -13.651 152 HZ1 LYS 16 1HZ LYS 16 13.269 -3.614 -14.355 153 HZ2 LYS 16 2HZ LYS 16 13.942 -3.525 -15.904 154 HZ3 LYS 16 3HZ LYS 16 12.575 -2.604 -15.521 155 H TYR 17 H TYR 17 14.458 0.311 -10.495 156 HA TYR 17 HA TYR 17 14.001 1.417 -7.984 157 HB2 TYR 17 2HB TYR 17 16.363 1.697 -7.811 158 HB3 TYR 17 3HB TYR 17 16.097 0.253 -8.783 159 HD1 TYR 17 HD1 TYR 17 16.377 0.393 -11.276 160 HD2 TYR 17 HD2 TYR 17 17.553 3.549 -8.676 161 HE1 TYR 17 HE1 TYR 17 17.791 1.328 -13.059 162 HE2 TYR 17 HE2 TYR 17 18.969 4.493 -10.452 163 HH TYR 17 HH TYR 17 19.058 4.425 -12.966 164 H GLY 18 H GLY 18 14.212 2.933 -11.084 165 HA2 GLY 18 2HA GLY 18 13.245 5.407 -10.112 166 HA3 GLY 18 3HA GLY 18 14.976 5.525 -10.397 Start of MODEL 10 1 H1 ARG 1 H ARG 1 -1.148 2.570 0.046 2 HA ARG 1 HA ARG 1 1.009 1.342 1.544 3 HB2 ARG 1 2HB ARG 1 -1.678 0.414 0.576 4 HB3 ARG 1 3HB ARG 1 -0.492 -0.740 1.169 5 HG2 ARG 1 2HG ARG 1 -0.403 0.870 3.230 6 HG3 ARG 1 3HG ARG 1 -1.992 1.364 2.643 7 HD2 ARG 1 2HD ARG 1 -2.586 -1.100 2.605 8 HD3 ARG 1 3HD ARG 1 -1.098 -1.373 3.511 9 HE ARG 1 HE ARG 1 -2.541 0.592 4.850 10 HH11 ARG 1 1HH1 ARG 1 -2.867 -2.773 4.018 11 HH12 ARG 1 2HH1 ARG 1 -3.833 -3.157 5.404 12 HH21 ARG 1 1HH2 ARG 1 -3.813 0.099 6.678 13 HH22 ARG 1 2HH2 ARG 1 -4.372 -1.522 6.916 14 H GLY 2 H GLY 2 -0.318 1.285 -1.719 15 HA2 GLY 2 2HA GLY 2 1.853 -0.547 -2.520 16 HA3 GLY 2 3HA GLY 2 0.341 -0.344 -3.392 17 H LEU 3 H LEU 3 2.010 -0.126 -5.168 18 HA LEU 3 HA LEU 3 2.908 2.674 -5.361 19 HB2 LEU 3 2HB LEU 3 4.051 0.160 -6.553 20 HB3 LEU 3 3HB LEU 3 4.518 1.773 -7.087 21 HG LEU 3 HG LEU 3 4.816 0.901 -4.226 22 HD11 LEU 3 1HD1 LEU 3 7.082 0.813 -6.168 23 HD12 LEU 3 2HD1 LEU 3 6.009 -0.576 -6.003 24 HD13 LEU 3 3HD1 LEU 3 6.909 0.014 -4.606 25 HD21 LEU 3 1HD2 LEU 3 4.998 3.354 -5.321 26 HD22 LEU 3 2HD2 LEU 3 6.658 2.797 -5.530 27 HD23 LEU 3 3HD2 LEU 3 5.936 2.834 -3.921 28 H ARG 4 H ARG 4 0.381 2.495 -5.971 29 HA ARG 4 HA ARG 4 0.191 2.114 -8.881 30 HB2 ARG 4 2HB ARG 4 -2.221 1.986 -8.571 31 HB3 ARG 4 3HB ARG 4 -1.410 0.823 -7.531 32 HG2 ARG 4 2HG ARG 4 -1.582 2.851 -5.813 33 HG3 ARG 4 3HG ARG 4 -2.971 3.233 -6.832 34 HD2 ARG 4 2HD ARG 4 -3.678 1.849 -4.984 35 HD3 ARG 4 3HD ARG 4 -3.814 0.941 -6.489 36 HE ARG 4 HE ARG 4 -1.314 0.491 -5.197 37 HH11 ARG 4 1HH1 ARG 4 -4.683 -0.384 -5.156 38 HH12 ARG 4 2HH1 ARG 4 -4.406 -1.934 -4.432 39 HH21 ARG 4 1HH2 ARG 4 -0.936 -1.547 -4.244 40 HH22 ARG 4 2HH2 ARG 4 -2.274 -2.594 -3.913 41 H ARG 5 H ARG 5 -0.310 4.411 -6.273 42 HA ARG 5 HA ARG 5 -0.889 6.496 -8.271 43 HB2 ARG 5 2HB ARG 5 -1.657 6.261 -5.365 44 HB3 ARG 5 3HB ARG 5 -1.772 7.776 -6.250 45 HG2 ARG 5 2HG ARG 5 -3.087 5.324 -7.329 46 HG3 ARG 5 3HG ARG 5 -3.850 6.241 -6.027 47 HD2 ARG 5 2HD ARG 5 -4.773 7.262 -7.860 48 HD3 ARG 5 3HD ARG 5 -3.358 8.280 -7.600 49 HE ARG 5 HE ARG 5 -2.706 6.178 -9.359 50 HH11 ARG 5 1HH1 ARG 5 -4.538 9.135 -9.231 51 HH12 ARG 5 2HH1 ARG 5 -4.383 9.457 -10.926 52 HH21 ARG 5 1HH2 ARG 5 -2.495 6.591 -11.592 53 HH22 ARG 5 2HH2 ARG 5 -3.222 8.009 -12.268 54 H LEU 6 H LEU 6 1.757 5.511 -7.572 55 HA LEU 6 HA LEU 6 2.882 7.895 -6.259 56 HB2 LEU 6 2HB LEU 6 3.304 5.176 -5.759 57 HB3 LEU 6 3HB LEU 6 4.758 5.732 -6.585 58 HG LEU 6 HG LEU 6 4.942 5.804 -4.123 59 HD11 LEU 6 1HD1 LEU 6 6.381 7.467 -4.402 60 HD12 LEU 6 2HD1 LEU 6 5.075 8.638 -4.576 61 HD13 LEU 6 3HD1 LEU 6 5.663 7.760 -5.987 62 HD21 LEU 6 1HD2 LEU 6 3.607 7.118 -2.770 63 HD22 LEU 6 2HD2 LEU 6 2.441 6.479 -3.930 64 HD23 LEU 6 3HD2 LEU 6 3.056 8.123 -4.110 65 H GLY 7 H GLY 7 3.057 5.785 -9.057 66 HA2 GLY 7 2HA GLY 7 5.375 6.710 -10.271 67 HA3 GLY 7 3HA GLY 7 3.969 6.109 -11.138 68 H ARG 8 H ARG 8 2.240 8.238 -10.045 69 HA ARG 8 HA ARG 8 2.786 10.202 -12.069 70 HB2 ARG 8 2HB ARG 8 0.695 11.235 -11.343 71 HB3 ARG 8 3HB ARG 8 0.490 9.502 -11.564 72 HG2 ARG 8 2HG ARG 8 0.400 9.105 -9.255 73 HG3 ARG 8 3HG ARG 8 1.050 10.701 -8.873 74 HD2 ARG 8 2HD ARG 8 -1.098 11.530 -10.128 75 HD3 ARG 8 3HD ARG 8 -1.697 9.920 -9.733 76 HE ARG 8 HE ARG 8 -1.898 10.572 -7.550 77 HH11 ARG 8 1HH1 ARG 8 0.146 12.835 -9.229 78 HH12 ARG 8 2HH1 ARG 8 0.221 13.950 -7.905 79 HH21 ARG 8 1HH2 ARG 8 -1.806 12.031 -5.799 80 HH22 ARG 8 2HH2 ARG 8 -0.889 13.491 -5.954 81 H LYS 9 H LYS 9 3.341 9.889 -8.669 82 HA LYS 9 HA LYS 9 3.779 12.713 -8.234 83 HB2 LYS 9 2HB LYS 9 2.908 11.461 -6.385 84 HB3 LYS 9 3HB LYS 9 4.204 10.278 -6.501 85 HG2 LYS 9 2HG LYS 9 4.601 11.723 -4.625 86 HG3 LYS 9 3HG LYS 9 5.819 12.029 -5.866 87 HD2 LYS 9 2HD LYS 9 5.162 14.160 -5.135 88 HD3 LYS 9 3HD LYS 9 4.292 13.920 -6.652 89 HE2 LYS 9 2HE LYS 9 2.967 13.096 -4.120 90 HE3 LYS 9 3HE LYS 9 3.084 14.819 -4.474 91 HZ1 LYS 9 1HZ LYS 9 1.468 12.778 -5.738 92 HZ2 LYS 9 2HZ LYS 9 2.214 13.851 -6.811 93 HZ3 LYS 9 3HZ LYS 9 1.196 14.442 -5.596 94 H ILE 10 H ILE 10 5.627 9.974 -9.203 95 HA ILE 10 HA ILE 10 8.132 11.463 -8.791 96 HB ILE 10 HB ILE 10 7.831 8.520 -9.392 97 HG12 ILE 10 2HG1 ILE 10 8.415 9.852 -6.739 98 HG13 ILE 10 3HG1 ILE 10 6.858 9.166 -7.190 99 HG21 ILE 10 1HG2 ILE 10 10.050 8.432 -9.548 100 HG22 ILE 10 2HG2 ILE 10 10.028 10.193 -9.624 101 HG23 ILE 10 3HG2 ILE 10 10.262 9.381 -8.077 102 HD11 ILE 10 1HD1 ILE 10 8.317 7.731 -5.739 103 HD12 ILE 10 2HD1 ILE 10 7.735 6.974 -7.222 104 HD13 ILE 10 3HD1 ILE 10 9.395 7.562 -7.124 105 H ALA 11 H ALA 11 7.027 8.989 -11.109 106 HA ALA 11 HA ALA 11 7.221 10.710 -13.364 107 HB1 ALA 11 1HB ALA 11 9.158 9.183 -14.332 108 HB2 ALA 11 2HB ALA 11 9.497 10.653 -13.417 109 HB3 ALA 11 3HB ALA 11 9.589 9.081 -12.624 110 H HIS 12 H HIS 12 5.742 9.941 -14.709 111 HA HIS 12 HA HIS 12 4.409 7.537 -14.458 112 HB2 HIS 12 2HB HIS 12 3.630 7.919 -16.797 113 HB3 HIS 12 3HB HIS 12 3.476 9.339 -15.766 114 HD1 HIS 12 HD1 HIS 12 4.978 8.167 -18.895 115 HD2 HIS 12 HD2 HIS 12 5.480 11.363 -16.288 116 HE1 HIS 12 HE1 HIS 12 6.307 9.876 -20.175 117 H GLY 13 H GLY 13 5.159 5.533 -14.614 118 HA2 GLY 13 2HA GLY 13 6.046 3.668 -15.686 119 HA3 GLY 13 3HA GLY 13 6.642 4.718 -16.962 120 H VAL 14 H VAL 14 7.313 5.336 -13.592 121 HA VAL 14 HA VAL 14 10.160 4.953 -14.137 122 HB VAL 14 HB VAL 14 9.286 7.088 -13.100 123 HG11 VAL 14 1HG1 VAL 14 8.154 7.096 -11.179 124 HG12 VAL 14 2HG1 VAL 14 7.991 5.351 -11.382 125 HG13 VAL 14 3HG1 VAL 14 9.307 6.007 -10.407 126 HG21 VAL 14 1HG2 VAL 14 11.556 5.451 -12.276 127 HG22 VAL 14 2HG2 VAL 14 11.495 7.150 -12.744 128 HG23 VAL 14 3HG2 VAL 14 11.107 6.676 -11.090 129 H LYS 15 H LYS 15 8.340 2.688 -13.723 130 HA LYS 15 HA LYS 15 8.420 1.553 -11.212 131 HB2 LYS 15 2HB LYS 15 8.292 -0.632 -12.353 132 HB3 LYS 15 3HB LYS 15 7.186 0.546 -13.047 133 HG2 LYS 15 2HG LYS 15 8.667 0.904 -14.914 134 HG3 LYS 15 3HG LYS 15 9.877 -0.162 -14.197 135 HD2 LYS 15 2HD LYS 15 8.835 -1.551 -15.731 136 HD3 LYS 15 3HD LYS 15 7.977 -1.929 -14.236 137 HE2 LYS 15 2HE LYS 15 6.234 -1.663 -15.722 138 HE3 LYS 15 3HE LYS 15 6.351 -0.051 -15.018 139 HZ1 LYS 15 1HZ LYS 15 6.317 -0.538 -17.642 140 HZ2 LYS 15 2HZ LYS 15 7.985 -0.495 -17.368 141 HZ3 LYS 15 3HZ LYS 15 7.025 0.834 -16.951 142 H LYS 16 H LYS 16 10.989 1.913 -13.534 143 HA LYS 16 HA LYS 16 12.774 0.062 -12.256 144 HB2 LYS 16 2HB LYS 16 13.563 2.270 -14.149 145 HB3 LYS 16 3HB LYS 16 14.389 0.745 -13.857 146 HG2 LYS 16 2HG LYS 16 11.964 -0.123 -14.714 147 HG3 LYS 16 3HG LYS 16 12.152 1.368 -15.640 148 HD2 LYS 16 2HD LYS 16 13.189 -0.125 -17.039 149 HD3 LYS 16 3HD LYS 16 14.564 0.411 -16.071 150 HE2 LYS 16 2HE LYS 16 14.691 -1.567 -14.911 151 HE3 LYS 16 3HE LYS 16 12.982 -1.934 -15.138 152 HZ1 LYS 16 1HZ LYS 16 14.283 -1.867 -17.640 153 HZ2 LYS 16 2HZ LYS 16 13.480 -3.157 -16.897 154 HZ3 LYS 16 3HZ LYS 16 15.127 -2.903 -16.603 155 H TYR 17 H TYR 17 15.161 1.342 -12.070 156 HA TYR 17 HA TYR 17 14.733 3.037 -9.726 157 HB2 TYR 17 2HB TYR 17 17.072 2.582 -9.195 158 HB3 TYR 17 3HB TYR 17 16.207 1.078 -9.485 159 HD1 TYR 17 HD1 TYR 17 16.652 -0.247 -11.493 160 HD2 TYR 17 HD2 TYR 17 18.817 3.326 -10.689 161 HE1 TYR 17 HE1 TYR 17 18.332 -0.896 -13.168 162 HE2 TYR 17 HE2 TYR 17 20.503 2.688 -12.363 163 HH TYR 17 HH TYR 17 21.297 0.322 -13.365 164 H GLY 18 H GLY 18 14.433 3.974 -12.534 165 HA2 GLY 18 2HA GLY 18 14.733 6.156 -13.347 166 HA3 GLY 18 3HA GLY 18 16.089 6.356 -12.247 Start of MODEL 11 1 H1 ARG 1 H ARG 1 0.893 -2.615 -5.038 2 HA ARG 1 HA ARG 1 -1.022 -1.466 -3.114 3 HB2 ARG 1 2HB ARG 1 -0.148 -3.013 -1.445 4 HB3 ARG 1 3HB ARG 1 -0.748 -3.893 -2.844 5 HG2 ARG 1 2HG ARG 1 1.571 -4.104 -3.664 6 HG3 ARG 1 3HG ARG 1 2.132 -3.309 -2.192 7 HD2 ARG 1 2HD ARG 1 0.414 -5.765 -2.087 8 HD3 ARG 1 3HD ARG 1 2.163 -5.878 -2.278 9 HE ARG 1 HE ARG 1 1.724 -4.220 -0.113 10 HH11 ARG 1 1HH1 ARG 1 1.019 -7.513 -0.994 11 HH12 ARG 1 2HH1 ARG 1 1.064 -8.097 0.636 12 HH21 ARG 1 1HH2 ARG 1 1.787 -4.976 2.038 13 HH22 ARG 1 2HH2 ARG 1 1.500 -6.652 2.360 14 H GLY 2 H GLY 2 -0.352 0.218 -1.942 15 HA2 GLY 2 2HA GLY 2 1.221 1.419 -0.634 16 HA3 GLY 2 3HA GLY 2 2.519 0.612 -1.502 17 H LEU 3 H LEU 3 2.345 1.119 -4.008 18 HA LEU 3 HA LEU 3 2.454 4.031 -4.183 19 HB2 LEU 3 2HB LEU 3 3.291 2.035 -6.271 20 HB3 LEU 3 3HB LEU 3 3.742 3.735 -6.162 21 HG LEU 3 HG LEU 3 4.662 1.495 -4.364 22 HD11 LEU 3 1HD1 LEU 3 6.856 2.765 -5.392 23 HD12 LEU 3 2HD1 LEU 3 5.729 2.797 -6.748 24 HD13 LEU 3 3HD1 LEU 3 6.164 1.261 -6.000 25 HD21 LEU 3 1HD2 LEU 3 4.697 4.429 -4.041 26 HD22 LEU 3 2HD2 LEU 3 6.206 3.586 -3.687 27 HD23 LEU 3 3HD2 LEU 3 4.729 3.150 -2.827 28 H ARG 4 H ARG 4 0.114 4.245 -4.156 29 HA ARG 4 HA ARG 4 -1.345 3.254 -6.460 30 HB2 ARG 4 2HB ARG 4 -2.229 3.491 -4.033 31 HB3 ARG 4 3HB ARG 4 -2.433 5.190 -4.439 32 HG2 ARG 4 2HG ARG 4 -4.518 4.205 -4.834 33 HG3 ARG 4 3HG ARG 4 -3.791 4.396 -6.431 34 HD2 ARG 4 2HD ARG 4 -2.943 1.986 -6.087 35 HD3 ARG 4 3HD ARG 4 -4.154 1.903 -4.808 36 HE ARG 4 HE ARG 4 -5.782 1.776 -6.410 37 HH11 ARG 4 1HH1 ARG 4 -2.833 2.908 -7.873 38 HH12 ARG 4 2HH1 ARG 4 -3.447 2.818 -9.491 39 HH21 ARG 4 1HH2 ARG 4 -6.602 1.654 -8.535 40 HH22 ARG 4 2HH2 ARG 4 -5.592 2.105 -9.866 41 H ARG 5 H ARG 5 -0.362 6.390 -5.117 42 HA ARG 5 HA ARG 5 -0.682 7.541 -7.804 43 HB2 ARG 5 2HB ARG 5 -1.660 8.621 -5.178 44 HB3 ARG 5 3HB ARG 5 -1.275 9.710 -6.504 45 HG2 ARG 5 2HG ARG 5 -3.494 9.410 -6.886 46 HG3 ARG 5 3HG ARG 5 -2.850 8.075 -7.846 47 HD2 ARG 5 2HD ARG 5 -3.307 6.512 -6.085 48 HD3 ARG 5 3HD ARG 5 -3.757 7.813 -4.984 49 HE ARG 5 HE ARG 5 -5.834 7.862 -5.946 50 HH11 ARG 5 1HH1 ARG 5 -3.664 6.078 -8.001 51 HH12 ARG 5 2HH1 ARG 5 -4.915 5.531 -9.068 52 HH21 ARG 5 1HH2 ARG 5 -7.490 7.148 -7.343 53 HH22 ARG 5 2HH2 ARG 5 -7.091 6.141 -8.693 54 H LEU 6 H LEU 6 1.687 6.496 -6.594 55 HA LEU 6 HA LEU 6 3.233 8.863 -5.853 56 HB2 LEU 6 2HB LEU 6 3.304 6.172 -5.083 57 HB3 LEU 6 3HB LEU 6 4.769 6.433 -6.028 58 HG LEU 6 HG LEU 6 5.111 6.722 -3.602 59 HD11 LEU 6 1HD1 LEU 6 6.738 8.132 -4.131 60 HD12 LEU 6 2HD1 LEU 6 5.590 9.454 -4.340 61 HD13 LEU 6 3HD1 LEU 6 5.957 8.383 -5.692 62 HD21 LEU 6 1HD2 LEU 6 4.086 8.414 -2.355 63 HD22 LEU 6 2HD2 LEU 6 2.767 7.697 -3.281 64 HD23 LEU 6 3HD2 LEU 6 3.474 9.230 -3.794 65 H GLY 7 H GLY 7 3.134 6.313 -8.309 66 HA2 GLY 7 2HA GLY 7 5.421 6.926 -9.744 67 HA3 GLY 7 3HA GLY 7 3.957 6.262 -10.453 68 H ARG 8 H ARG 8 2.328 8.578 -9.732 69 HA ARG 8 HA ARG 8 2.929 10.187 -12.034 70 HB2 ARG 8 2HB ARG 8 0.803 10.608 -9.926 71 HB3 ARG 8 3HB ARG 8 0.863 11.358 -11.516 72 HG2 ARG 8 2HG ARG 8 0.330 9.365 -12.607 73 HG3 ARG 8 3HG ARG 8 0.738 8.382 -11.199 74 HD2 ARG 8 2HD ARG 8 -1.235 8.863 -10.122 75 HD3 ARG 8 3HD ARG 8 -1.445 10.396 -10.967 76 HE ARG 8 HE ARG 8 -1.644 8.120 -12.698 77 HH11 ARG 8 1HH1 ARG 8 -3.376 10.154 -10.466 78 HH12 ARG 8 2HH1 ARG 8 -4.928 9.808 -11.153 79 HH21 ARG 8 1HH2 ARG 8 -3.682 7.657 -13.611 80 HH22 ARG 8 2HH2 ARG 8 -5.102 8.387 -12.941 81 H LYS 9 H LYS 9 3.455 10.398 -8.618 82 HA LYS 9 HA LYS 9 3.965 13.239 -8.618 83 HB2 LYS 9 2HB LYS 9 3.080 12.311 -6.599 84 HB3 LYS 9 3HB LYS 9 4.335 11.081 -6.542 85 HG2 LYS 9 2HG LYS 9 4.746 12.819 -4.902 86 HG3 LYS 9 3HG LYS 9 6.014 12.805 -6.131 87 HD2 LYS 9 2HD LYS 9 4.788 14.648 -7.297 88 HD3 LYS 9 3HD LYS 9 3.697 14.724 -5.912 89 HE2 LYS 9 2HE LYS 9 6.683 15.156 -5.854 90 HE3 LYS 9 3HE LYS 9 5.451 16.413 -5.747 91 HZ1 LYS 9 1HZ LYS 9 6.077 16.008 -3.556 92 HZ2 LYS 9 2HZ LYS 9 6.124 14.330 -3.762 93 HZ3 LYS 9 3HZ LYS 9 4.637 15.135 -3.721 94 H ILE 10 H ILE 10 5.753 10.349 -9.169 95 HA ILE 10 HA ILE 10 8.290 11.830 -8.985 96 HB ILE 10 HB ILE 10 7.926 8.838 -9.144 97 HG12 ILE 10 2HG1 ILE 10 8.549 10.535 -6.718 98 HG13 ILE 10 3HG1 ILE 10 6.976 9.823 -7.061 99 HG21 ILE 10 1HG2 ILE 10 10.134 8.704 -9.347 100 HG22 ILE 10 2HG2 ILE 10 10.165 10.452 -9.575 101 HG23 ILE 10 3HG2 ILE 10 10.378 9.769 -7.963 102 HD11 ILE 10 1HD1 ILE 10 8.405 8.586 -5.415 103 HD12 ILE 10 2HD1 ILE 10 7.811 7.631 -6.774 104 HD13 ILE 10 3HD1 ILE 10 9.481 8.197 -6.757 105 H ALA 11 H ALA 11 7.122 9.066 -10.911 106 HA ALA 11 HA ALA 11 7.344 10.430 -13.396 107 HB1 ALA 11 1HB ALA 11 9.243 8.735 -14.130 108 HB2 ALA 11 2HB ALA 11 9.618 10.315 -13.442 109 HB3 ALA 11 3HB ALA 11 9.678 8.874 -12.426 110 H HIS 12 H HIS 12 5.843 9.504 -14.611 111 HA HIS 12 HA HIS 12 4.458 7.195 -14.006 112 HB2 HIS 12 2HB HIS 12 3.677 7.245 -16.376 113 HB3 HIS 12 3HB HIS 12 3.560 8.804 -15.566 114 HD1 HIS 12 HD1 HIS 12 5.359 10.617 -16.261 115 HD2 HIS 12 HD2 HIS 12 5.270 7.199 -18.620 116 HE1 HIS 12 HE1 HIS 12 6.635 11.206 -18.346 117 H GLY 13 H GLY 13 5.163 5.174 -13.864 118 HA2 GLY 13 2HA GLY 13 6.004 3.151 -14.650 119 HA3 GLY 13 3HA GLY 13 6.618 3.988 -16.068 120 H VAL 14 H VAL 14 7.316 5.082 -12.828 121 HA VAL 14 HA VAL 14 10.152 4.559 -13.312 122 HB VAL 14 HB VAL 14 9.329 6.841 -12.599 123 HG11 VAL 14 1HG1 VAL 14 8.209 7.160 -10.698 124 HG12 VAL 14 2HG1 VAL 14 7.999 5.408 -10.647 125 HG13 VAL 14 3HG1 VAL 14 9.335 6.164 -9.777 126 HG21 VAL 14 1HG2 VAL 14 11.566 5.293 -11.548 127 HG22 VAL 14 2HG2 VAL 14 11.540 6.908 -12.255 128 HG23 VAL 14 3HG2 VAL 14 11.148 6.686 -10.550 129 H LYS 15 H LYS 15 8.284 2.420 -12.568 130 HA LYS 15 HA LYS 15 8.346 1.663 -9.919 131 HB2 LYS 15 2HB LYS 15 8.258 -0.690 -10.773 132 HB3 LYS 15 3HB LYS 15 7.072 0.388 -11.496 133 HG2 LYS 15 2HG LYS 15 8.267 0.507 -13.524 134 HG3 LYS 15 3HG LYS 15 9.704 -0.226 -12.806 135 HD2 LYS 15 2HD LYS 15 8.563 -1.857 -14.175 136 HD3 LYS 15 3HD LYS 15 8.427 -2.318 -12.477 137 HE2 LYS 15 2HE LYS 15 6.175 -1.271 -12.433 138 HE3 LYS 15 3HE LYS 15 6.320 -0.970 -14.164 139 HZ1 LYS 15 1HZ LYS 15 6.537 -3.366 -14.505 140 HZ2 LYS 15 2HZ LYS 15 5.071 -2.978 -13.757 141 HZ3 LYS 15 3HZ LYS 15 6.337 -3.632 -12.846 142 H LYS 16 H LYS 16 10.918 1.616 -12.268 143 HA LYS 16 HA LYS 16 12.666 -0.056 -10.719 144 HB2 LYS 16 2HB LYS 16 13.466 1.816 -12.946 145 HB3 LYS 16 3HB LYS 16 14.306 0.370 -12.400 146 HG2 LYS 16 2HG LYS 16 12.363 -0.975 -13.177 147 HG3 LYS 16 3HG LYS 16 11.676 0.502 -13.857 148 HD2 LYS 16 2HD LYS 16 12.764 -0.312 -15.698 149 HD3 LYS 16 3HD LYS 16 14.052 0.669 -14.995 150 HE2 LYS 16 2HE LYS 16 14.760 -1.459 -13.772 151 HE3 LYS 16 3HE LYS 16 13.693 -2.312 -14.886 152 HZ1 LYS 16 1HZ LYS 16 15.175 -2.139 -16.516 153 HZ2 LYS 16 2HZ LYS 16 16.298 -1.665 -15.343 154 HZ3 LYS 16 3HZ LYS 16 15.452 -0.495 -16.225 155 H TYR 17 H TYR 17 15.082 1.195 -10.743 156 HA TYR 17 HA TYR 17 15.108 2.660 -8.399 157 HB2 TYR 17 2HB TYR 17 17.406 3.329 -9.031 158 HB3 TYR 17 3HB TYR 17 17.114 1.612 -9.283 159 HD1 TYR 17 HD1 TYR 17 17.285 0.641 -11.445 160 HD2 TYR 17 HD2 TYR 17 17.467 4.868 -10.995 161 HE1 TYR 17 HE1 TYR 17 18.031 0.851 -13.779 162 HE2 TYR 17 HE2 TYR 17 18.214 5.090 -13.328 163 HH TYR 17 HH TYR 17 17.842 2.959 -15.589 164 H GLY 18 H GLY 18 14.554 3.725 -11.666 165 HA2 GLY 18 2HA GLY 18 13.681 5.728 -12.415 166 HA3 GLY 18 3HA GLY 18 13.613 6.274 -10.746 Start of MODEL 12 1 H1 ARG 1 H ARG 1 0.764 -3.552 -5.192 2 HA ARG 1 HA ARG 1 0.226 -3.669 -2.321 3 HB2 ARG 1 2HB ARG 1 2.720 -3.819 -3.987 4 HB3 ARG 1 3HB ARG 1 2.815 -3.469 -2.266 5 HG2 ARG 1 2HG ARG 1 3.067 -5.735 -2.245 6 HG3 ARG 1 3HG ARG 1 1.315 -5.612 -2.071 7 HD2 ARG 1 2HD ARG 1 1.678 -7.254 -3.722 8 HD3 ARG 1 3HD ARG 1 1.191 -5.801 -4.594 9 HE ARG 1 HE ARG 1 3.888 -5.645 -4.608 10 HH11 ARG 1 1HH1 ARG 1 1.642 -8.157 -5.483 11 HH12 ARG 1 2HH1 ARG 1 2.673 -8.836 -6.699 12 HH21 ARG 1 1HH2 ARG 1 5.254 -6.529 -6.206 13 HH22 ARG 1 2HH2 ARG 1 4.728 -7.910 -7.109 14 H GLY 2 H GLY 2 2.465 -1.670 -4.245 15 HA2 GLY 2 2HA GLY 2 1.274 0.740 -3.079 16 HA3 GLY 2 3HA GLY 2 2.975 0.432 -2.765 17 H LEU 3 H LEU 3 3.019 2.630 -3.843 18 HA LEU 3 HA LEU 3 3.514 3.960 -5.623 19 HB2 LEU 3 2HB LEU 3 4.469 1.299 -6.659 20 HB3 LEU 3 3HB LEU 3 4.782 2.833 -7.468 21 HG LEU 3 HG LEU 3 5.685 2.250 -4.655 22 HD11 LEU 3 1HD1 LEU 3 7.441 2.089 -7.079 23 HD12 LEU 3 2HD1 LEU 3 6.598 0.673 -6.452 24 HD13 LEU 3 3HD1 LEU 3 7.761 1.527 -5.438 25 HD21 LEU 3 1HD2 LEU 3 5.785 4.531 -6.443 26 HD22 LEU 3 2HD2 LEU 3 7.387 4.050 -5.885 27 HD23 LEU 3 3HD2 LEU 3 6.124 4.433 -4.715 28 H ARG 4 H ARG 4 0.951 3.745 -5.655 29 HA ARG 4 HA ARG 4 0.202 2.993 -8.405 30 HB2 ARG 4 2HB ARG 4 -0.840 1.698 -6.434 31 HB3 ARG 4 3HB ARG 4 -1.749 3.171 -6.123 32 HG2 ARG 4 2HG ARG 4 -2.994 2.973 -8.047 33 HG3 ARG 4 3HG ARG 4 -1.778 1.982 -8.856 34 HD2 ARG 4 2HD ARG 4 -3.757 0.674 -8.243 35 HD3 ARG 4 3HD ARG 4 -2.312 0.107 -7.406 36 HE ARG 4 HE ARG 4 -3.823 2.006 -5.881 37 HH11 ARG 4 1HH1 ARG 4 -3.533 -1.352 -6.756 38 HH12 ARG 4 2HH1 ARG 4 -4.326 -1.927 -5.327 39 HH21 ARG 4 1HH2 ARG 4 -4.869 1.260 -3.996 40 HH22 ARG 4 2HH2 ARG 4 -5.087 -0.441 -3.759 41 H ARG 5 H ARG 5 -0.001 5.381 -5.858 42 HA ARG 5 HA ARG 5 -1.428 7.203 -7.672 43 HB2 ARG 5 2HB ARG 5 -1.915 6.614 -5.026 44 HB3 ARG 5 3HB ARG 5 -1.008 8.117 -4.922 45 HG2 ARG 5 2HG ARG 5 -2.726 8.830 -6.819 46 HG3 ARG 5 3HG ARG 5 -3.705 7.597 -6.021 47 HD2 ARG 5 2HD ARG 5 -3.244 8.759 -3.853 48 HD3 ARG 5 3HD ARG 5 -2.479 10.051 -4.776 49 HE ARG 5 HE ARG 5 -5.299 9.542 -4.507 50 HH11 ARG 5 1HH1 ARG 5 -2.818 11.027 -6.447 51 HH12 ARG 5 2HH1 ARG 5 -3.894 12.169 -7.182 52 HH21 ARG 5 1HH2 ARG 5 -6.725 11.041 -5.468 53 HH22 ARG 5 2HH2 ARG 5 -6.115 12.177 -6.624 54 H LEU 6 H LEU 6 1.543 6.695 -5.948 55 HA LEU 6 HA LEU 6 2.522 9.375 -6.282 56 HB2 LEU 6 2HB LEU 6 3.356 6.960 -4.957 57 HB3 LEU 6 3HB LEU 6 4.693 7.651 -5.874 58 HG LEU 6 HG LEU 6 4.598 8.349 -3.481 59 HD11 LEU 6 1HD1 LEU 6 5.772 10.079 -4.210 60 HD12 LEU 6 2HD1 LEU 6 4.283 10.945 -4.584 61 HD13 LEU 6 3HD1 LEU 6 5.033 9.916 -5.803 62 HD21 LEU 6 1HD2 LEU 6 2.927 9.876 -2.726 63 HD22 LEU 6 2HD2 LEU 6 2.101 8.465 -3.390 64 HD23 LEU 6 3HD2 LEU 6 2.194 9.957 -4.329 65 H GLY 7 H GLY 7 2.542 6.446 -8.135 66 HA2 GLY 7 2HA GLY 7 4.756 6.758 -9.763 67 HA3 GLY 7 3HA GLY 7 3.245 6.024 -10.281 68 H ARG 8 H ARG 8 1.614 8.349 -10.009 69 HA ARG 8 HA ARG 8 2.241 9.612 -12.511 70 HB2 ARG 8 2HB ARG 8 0.118 10.685 -12.323 71 HB3 ARG 8 3HB ARG 8 -0.083 9.037 -11.741 72 HG2 ARG 8 2HG ARG 8 -1.108 9.989 -10.003 73 HG3 ARG 8 3HG ARG 8 0.522 10.366 -9.442 74 HD2 ARG 8 2HD ARG 8 -0.330 12.464 -9.362 75 HD3 ARG 8 3HD ARG 8 0.138 12.455 -11.062 76 HE ARG 8 HE ARG 8 -2.440 11.478 -10.973 77 HH11 ARG 8 1HH1 ARG 8 -0.801 14.418 -10.086 78 HH12 ARG 8 2HH1 ARG 8 -2.182 15.426 -10.364 79 HH21 ARG 8 1HH2 ARG 8 -4.266 12.794 -11.341 80 HH22 ARG 8 2HH2 ARG 8 -4.153 14.501 -11.077 81 H LYS 9 H LYS 9 2.648 10.357 -9.153 82 HA LYS 9 HA LYS 9 3.067 13.180 -9.559 83 HB2 LYS 9 2HB LYS 9 2.184 12.510 -7.437 84 HB3 LYS 9 3HB LYS 9 3.489 11.357 -7.190 85 HG2 LYS 9 2HG LYS 9 3.779 13.347 -5.817 86 HG3 LYS 9 3HG LYS 9 5.086 13.179 -6.991 87 HD2 LYS 9 2HD LYS 9 4.390 14.985 -8.226 88 HD3 LYS 9 3HD LYS 9 2.705 14.810 -7.730 89 HE2 LYS 9 2HE LYS 9 3.145 15.757 -5.600 90 HE3 LYS 9 3HE LYS 9 4.888 15.657 -5.839 91 HZ1 LYS 9 1HZ LYS 9 4.769 17.340 -7.514 92 HZ2 LYS 9 2HZ LYS 9 3.977 17.915 -6.135 93 HZ3 LYS 9 3HZ LYS 9 3.078 17.364 -7.458 94 H ILE 10 H ILE 10 4.997 10.300 -9.541 95 HA ILE 10 HA ILE 10 7.469 11.883 -9.545 96 HB ILE 10 HB ILE 10 7.197 8.880 -9.402 97 HG12 ILE 10 2HG1 ILE 10 7.694 10.840 -7.151 98 HG13 ILE 10 3HG1 ILE 10 6.160 10.031 -7.454 99 HG21 ILE 10 1HG2 ILE 10 9.409 8.809 -9.569 100 HG22 ILE 10 2HG2 ILE 10 9.401 10.537 -9.915 101 HG23 ILE 10 3HG2 ILE 10 9.587 9.972 -8.255 102 HD11 ILE 10 1HD1 ILE 10 7.668 9.061 -5.657 103 HD12 ILE 10 2HD1 ILE 10 7.021 7.942 -6.858 104 HD13 ILE 10 3HD1 ILE 10 8.690 8.498 -6.980 105 H ALA 11 H ALA 11 6.333 8.945 -11.223 106 HA ALA 11 HA ALA 11 6.562 10.015 -13.819 107 HB1 ALA 11 1HB ALA 11 8.633 8.229 -14.148 108 HB2 ALA 11 2HB ALA 11 8.775 9.987 -14.096 109 HB3 ALA 11 3HB ALA 11 9.029 9.038 -12.631 110 H HIS 12 H HIS 12 5.068 8.871 -14.843 111 HA HIS 12 HA HIS 12 3.964 6.478 -14.002 112 HB2 HIS 12 2HB HIS 12 3.999 7.926 -16.620 113 HB3 HIS 12 3HB HIS 12 3.313 6.306 -16.549 114 HD1 HIS 12 HD1 HIS 12 1.039 6.037 -15.439 115 HD2 HIS 12 HD2 HIS 12 2.561 9.892 -15.157 116 HE1 HIS 12 HE1 HIS 12 -0.861 7.449 -14.592 117 H GLY 13 H GLY 13 5.085 4.661 -13.661 118 HA2 GLY 13 2HA GLY 13 5.952 2.635 -14.564 119 HA3 GLY 13 3HA GLY 13 6.584 3.547 -15.926 120 H VAL 14 H VAL 14 7.060 4.856 -12.777 121 HA VAL 14 HA VAL 14 9.927 4.319 -13.016 122 HB VAL 14 HB VAL 14 9.057 6.665 -12.658 123 HG11 VAL 14 1HG1 VAL 14 7.813 7.215 -10.891 124 HG12 VAL 14 2HG1 VAL 14 7.598 5.483 -10.632 125 HG13 VAL 14 3HG1 VAL 14 8.874 6.353 -9.777 126 HG21 VAL 14 1HG2 VAL 14 11.220 5.287 -11.271 127 HG22 VAL 14 2HG2 VAL 14 11.239 6.798 -12.179 128 HG23 VAL 14 3HG2 VAL 14 10.734 6.791 -10.489 129 H LYS 15 H LYS 15 8.026 2.270 -12.129 130 HA LYS 15 HA LYS 15 7.912 1.860 -9.407 131 HB2 LYS 15 2HB LYS 15 7.862 -0.575 -9.943 132 HB3 LYS 15 3HB LYS 15 6.757 0.386 -10.916 133 HG2 LYS 15 2HG LYS 15 8.234 0.284 -12.802 134 HG3 LYS 15 3HG LYS 15 9.478 -0.512 -11.836 135 HD2 LYS 15 2HD LYS 15 8.003 -2.438 -11.522 136 HD3 LYS 15 3HD LYS 15 6.751 -1.639 -12.476 137 HE2 LYS 15 2HE LYS 15 8.234 -1.635 -14.419 138 HE3 LYS 15 3HE LYS 15 9.494 -2.416 -13.465 139 HZ1 LYS 15 1HZ LYS 15 8.376 -4.400 -13.441 140 HZ2 LYS 15 2HZ LYS 15 7.940 -3.823 -14.971 141 HZ3 LYS 15 3HZ LYS 15 6.857 -3.693 -13.678 142 H LYS 16 H LYS 16 10.636 1.554 -11.553 143 HA LYS 16 HA LYS 16 12.287 0.087 -9.728 144 HB2 LYS 16 2HB LYS 16 13.257 1.775 -12.029 145 HB3 LYS 16 3HB LYS 16 14.030 0.365 -11.318 146 HG2 LYS 16 2HG LYS 16 11.528 -0.524 -12.176 147 HG3 LYS 16 3HG LYS 16 12.127 0.522 -13.465 148 HD2 LYS 16 2HD LYS 16 13.625 -1.789 -12.229 149 HD3 LYS 16 3HD LYS 16 12.812 -1.808 -13.796 150 HE2 LYS 16 2HE LYS 16 14.329 0.262 -14.280 151 HE3 LYS 16 3HE LYS 16 15.304 -0.386 -12.962 152 HZ1 LYS 16 1HZ LYS 16 14.526 -2.356 -14.911 153 HZ2 LYS 16 2HZ LYS 16 16.045 -2.045 -14.236 154 HZ3 LYS 16 3HZ LYS 16 15.500 -1.128 -15.549 155 H TYR 17 H TYR 17 14.680 1.373 -9.677 156 HA TYR 17 HA TYR 17 14.121 3.566 -7.830 157 HB2 TYR 17 2HB TYR 17 16.374 3.247 -7.014 158 HB3 TYR 17 3HB TYR 17 15.577 1.681 -7.106 159 HD1 TYR 17 HD1 TYR 17 16.192 0.082 -8.892 160 HD2 TYR 17 HD2 TYR 17 18.291 3.744 -8.354 161 HE1 TYR 17 HE1 TYR 17 18.041 -0.783 -10.263 162 HE2 TYR 17 HE2 TYR 17 20.146 2.889 -9.724 163 HH TYR 17 HH TYR 17 20.965 1.151 -10.836 164 H GLY 18 H GLY 18 14.059 3.768 -10.829 165 HA2 GLY 18 2HA GLY 18 16.292 5.184 -11.774 166 HA3 GLY 18 3HA GLY 18 14.668 5.287 -12.438 Start of MODEL 13 1 H1 ARG 1 H ARG 1 3.056 -4.743 -2.380 2 HA ARG 1 HA ARG 1 1.232 -2.489 -2.143 3 HB2 ARG 1 2HB ARG 1 4.031 -2.512 -1.039 4 HB3 ARG 1 3HB ARG 1 3.259 -1.016 -1.545 5 HG2 ARG 1 2HG ARG 1 1.774 -1.028 0.186 6 HG3 ARG 1 3HG ARG 1 1.788 -2.787 0.329 7 HD2 ARG 1 2HD ARG 1 4.119 -2.618 1.210 8 HD3 ARG 1 3HD ARG 1 3.930 -0.865 1.221 9 HE ARG 1 HE ARG 1 1.873 -2.260 2.664 10 HH11 ARG 1 1HH1 ARG 1 5.067 -0.885 2.840 11 HH12 ARG 1 2HH1 ARG 1 5.016 -0.657 4.556 12 HH21 ARG 1 1HH2 ARG 1 1.794 -1.965 4.925 13 HH22 ARG 1 2HH2 ARG 1 3.155 -1.273 5.742 14 H GLY 2 H GLY 2 1.542 -0.884 -3.732 15 HA2 GLY 2 2HA GLY 2 3.669 -1.272 -5.688 16 HA3 GLY 2 3HA GLY 2 2.029 -1.527 -6.265 17 H LEU 3 H LEU 3 3.392 0.347 -7.547 18 HA LEU 3 HA LEU 3 2.572 2.915 -6.370 19 HB2 LEU 3 2HB LEU 3 4.464 2.499 -8.671 20 HB3 LEU 3 3HB LEU 3 4.194 3.979 -7.753 21 HG LEU 3 HG LEU 3 5.479 1.474 -6.665 22 HD11 LEU 3 1HD1 LEU 3 7.057 2.307 -8.147 23 HD12 LEU 3 2HD1 LEU 3 7.496 3.079 -6.624 24 HD13 LEU 3 3HD1 LEU 3 6.603 3.985 -7.846 25 HD21 LEU 3 1HD2 LEU 3 4.550 3.991 -5.469 26 HD22 LEU 3 2HD2 LEU 3 6.189 3.513 -5.027 27 HD23 LEU 3 3HD2 LEU 3 4.840 2.417 -4.728 28 H ARG 4 H ARG 4 0.608 3.474 -7.058 29 HA ARG 4 HA ARG 4 0.018 3.189 -9.932 30 HB2 ARG 4 2HB ARG 4 -2.360 2.952 -9.324 31 HB3 ARG 4 3HB ARG 4 -1.372 1.663 -8.649 32 HG2 ARG 4 2HG ARG 4 -1.304 3.102 -6.524 33 HG3 ARG 4 3HG ARG 4 -2.655 3.975 -7.248 34 HD2 ARG 4 2HD ARG 4 -2.642 0.986 -6.925 35 HD3 ARG 4 3HD ARG 4 -3.236 2.072 -5.670 36 HE ARG 4 HE ARG 4 -4.531 2.771 -8.019 37 HH11 ARG 4 1HH1 ARG 4 -4.307 0.005 -5.917 38 HH12 ARG 4 2HH1 ARG 4 -5.904 -0.562 -6.277 39 HH21 ARG 4 1HH2 ARG 4 -6.635 2.035 -8.502 40 HH22 ARG 4 2HH2 ARG 4 -7.227 0.593 -7.748 41 H ARG 5 H ARG 5 -0.290 5.154 -7.037 42 HA ARG 5 HA ARG 5 -1.326 7.377 -8.652 43 HB2 ARG 5 2HB ARG 5 -2.064 6.432 -6.139 44 HB3 ARG 5 3HB ARG 5 -1.133 7.885 -5.798 45 HG2 ARG 5 2HG ARG 5 -2.734 8.753 -7.807 46 HG3 ARG 5 3HG ARG 5 -3.783 7.579 -7.009 47 HD2 ARG 5 2HD ARG 5 -2.678 8.944 -4.898 48 HD3 ARG 5 3HD ARG 5 -2.878 10.205 -6.113 49 HE ARG 5 HE ARG 5 -5.125 10.114 -5.748 50 HH11 ARG 5 1HH1 ARG 5 -3.703 7.130 -4.655 51 HH12 ARG 5 2HH1 ARG 5 -5.184 6.514 -3.998 52 HH21 ARG 5 1HH2 ARG 5 -7.080 9.314 -4.887 53 HH22 ARG 5 2HH2 ARG 5 -7.103 7.757 -4.131 54 H LEU 6 H LEU 6 1.408 6.293 -6.821 55 HA LEU 6 HA LEU 6 2.645 8.866 -6.562 56 HB2 LEU 6 2HB LEU 6 3.167 6.159 -5.724 57 HB3 LEU 6 3HB LEU 6 4.625 6.900 -6.381 58 HG LEU 6 HG LEU 6 4.384 7.094 -3.907 59 HD11 LEU 6 1HD1 LEU 6 5.768 8.793 -4.229 60 HD12 LEU 6 2HD1 LEU 6 4.379 9.868 -4.381 61 HD13 LEU 6 3HD1 LEU 6 5.066 9.107 -5.816 62 HD21 LEU 6 1HD2 LEU 6 2.766 8.535 -2.941 63 HD22 LEU 6 2HD2 LEU 6 1.891 7.421 -3.993 64 HD23 LEU 6 3HD2 LEU 6 2.202 9.075 -4.523 65 H GLY 7 H GLY 7 2.620 6.325 -8.941 66 HA2 GLY 7 2HA GLY 7 4.961 6.792 -10.337 67 HA3 GLY 7 3HA GLY 7 3.461 6.252 -11.076 68 H ARG 8 H ARG 8 1.910 8.565 -10.518 69 HA ARG 8 HA ARG 8 2.800 10.229 -12.685 70 HB2 ARG 8 2HB ARG 8 0.709 11.475 -12.283 71 HB3 ARG 8 3HB ARG 8 0.432 9.745 -12.434 72 HG2 ARG 8 2HG ARG 8 -0.057 9.493 -10.186 73 HG3 ARG 8 3HG ARG 8 0.770 10.986 -9.737 74 HD2 ARG 8 2HD ARG 8 -1.132 12.119 -9.899 75 HD3 ARG 8 3HD ARG 8 -1.322 11.604 -11.574 76 HE ARG 8 HE ARG 8 -2.703 10.576 -9.287 77 HH11 ARG 8 1HH1 ARG 8 -1.543 9.808 -12.479 78 HH12 ARG 8 2HH1 ARG 8 -2.712 8.557 -12.745 79 HH21 ARG 8 1HH2 ARG 8 -4.247 8.931 -9.625 80 HH22 ARG 8 2HH2 ARG 8 -4.250 8.060 -11.121 81 H LYS 9 H LYS 9 2.930 10.327 -9.226 82 HA LYS 9 HA LYS 9 3.466 13.153 -9.059 83 HB2 LYS 9 2HB LYS 9 2.385 12.140 -7.178 84 HB3 LYS 9 3HB LYS 9 3.633 10.907 -7.049 85 HG2 LYS 9 2HG LYS 9 5.208 12.439 -6.213 86 HG3 LYS 9 3HG LYS 9 4.225 13.827 -6.684 87 HD2 LYS 9 2HD LYS 9 2.523 13.153 -5.038 88 HD3 LYS 9 3HD LYS 9 3.550 11.803 -4.548 89 HE2 LYS 9 2HE LYS 9 5.131 13.198 -3.576 90 HE3 LYS 9 3HE LYS 9 4.604 14.604 -4.500 91 HZ1 LYS 9 1HZ LYS 9 3.984 14.398 -2.012 92 HZ2 LYS 9 2HZ LYS 9 2.766 13.364 -2.568 93 HZ3 LYS 9 3HZ LYS 9 2.828 14.965 -3.110 94 H ILE 10 H ILE 10 5.292 10.278 -9.559 95 HA ILE 10 HA ILE 10 7.803 11.728 -9.060 96 HB ILE 10 HB ILE 10 7.446 8.750 -9.402 97 HG12 ILE 10 2HG1 ILE 10 7.833 10.322 -6.846 98 HG13 ILE 10 3HG1 ILE 10 6.299 9.639 -7.376 99 HG21 ILE 10 1HG2 ILE 10 9.662 8.624 -9.425 100 HG22 ILE 10 2HG2 ILE 10 9.724 10.384 -9.503 101 HG23 ILE 10 3HG2 ILE 10 9.773 9.569 -7.940 102 HD11 ILE 10 1HD1 ILE 10 7.555 8.312 -5.661 103 HD12 ILE 10 2HD1 ILE 10 7.097 7.429 -7.118 104 HD13 ILE 10 3HD1 ILE 10 8.759 7.982 -6.907 105 H ALA 11 H ALA 11 6.785 9.090 -11.234 106 HA ALA 11 HA ALA 11 7.275 10.571 -13.609 107 HB1 ALA 11 1HB ALA 11 9.212 8.878 -14.244 108 HB2 ALA 11 2HB ALA 11 9.541 10.413 -13.439 109 HB3 ALA 11 3HB ALA 11 9.480 8.920 -12.501 110 H HIS 12 H HIS 12 5.885 9.738 -15.010 111 HA HIS 12 HA HIS 12 4.415 7.429 -14.665 112 HB2 HIS 12 2HB HIS 12 3.868 7.616 -17.091 113 HB3 HIS 12 3HB HIS 12 3.696 9.133 -16.215 114 HD1 HIS 12 HD1 HIS 12 5.560 10.953 -16.650 115 HD2 HIS 12 HD2 HIS 12 5.690 7.644 -19.159 116 HE1 HIS 12 HE1 HIS 12 7.045 11.620 -18.566 117 H GLY 13 H GLY 13 5.076 5.390 -14.561 118 HA2 GLY 13 2HA GLY 13 5.958 3.394 -15.370 119 HA3 GLY 13 3HA GLY 13 6.720 4.291 -16.676 120 H VAL 14 H VAL 14 7.114 5.201 -13.328 121 HA VAL 14 HA VAL 14 9.976 4.650 -13.565 122 HB VAL 14 HB VAL 14 9.120 6.907 -12.812 123 HG11 VAL 14 1HG1 VAL 14 7.819 7.143 -11.018 124 HG12 VAL 14 2HG1 VAL 14 7.590 5.394 -11.074 125 HG13 VAL 14 3HG1 VAL 14 8.841 6.088 -10.043 126 HG21 VAL 14 1HG2 VAL 14 11.222 5.263 -11.634 127 HG22 VAL 14 2HG2 VAL 14 11.287 6.913 -12.251 128 HG23 VAL 14 3HG2 VAL 14 10.728 6.609 -10.607 129 H LYS 15 H LYS 15 8.020 2.509 -13.123 130 HA LYS 15 HA LYS 15 7.814 1.613 -10.525 131 HB2 LYS 15 2HB LYS 15 7.795 -0.696 -11.522 132 HB3 LYS 15 3HB LYS 15 6.672 0.438 -12.261 133 HG2 LYS 15 2HG LYS 15 7.967 0.641 -14.195 134 HG3 LYS 15 3HG LYS 15 9.394 -0.048 -13.418 135 HD2 LYS 15 2HD LYS 15 8.653 -1.817 -14.706 136 HD3 LYS 15 3HD LYS 15 7.892 -2.160 -13.150 137 HE2 LYS 15 2HE LYS 15 6.453 -0.539 -15.213 138 HE3 LYS 15 3HE LYS 15 6.484 -2.297 -15.331 139 HZ1 LYS 15 1HZ LYS 15 4.732 -2.226 -13.981 140 HZ2 LYS 15 2HZ LYS 15 4.998 -0.613 -13.546 141 HZ3 LYS 15 3HZ LYS 15 5.820 -1.853 -12.740 142 H LYS 16 H LYS 16 10.600 1.650 -12.612 143 HA LYS 16 HA LYS 16 12.169 -0.147 -11.019 144 HB2 LYS 16 2HB LYS 16 13.235 1.867 -12.992 145 HB3 LYS 16 3HB LYS 16 13.959 0.341 -12.502 146 HG2 LYS 16 2HG LYS 16 11.532 -0.434 -13.532 147 HG3 LYS 16 3HG LYS 16 12.010 0.900 -14.584 148 HD2 LYS 16 2HD LYS 16 12.999 -0.907 -15.629 149 HD3 LYS 16 3HD LYS 16 14.316 -0.311 -14.617 150 HE2 LYS 16 2HE LYS 16 14.151 -2.729 -14.462 151 HE3 LYS 16 3HE LYS 16 13.752 -1.984 -12.915 152 HZ1 LYS 16 1HZ LYS 16 11.504 -2.453 -14.683 153 HZ2 LYS 16 2HZ LYS 16 11.643 -2.704 -13.016 154 HZ3 LYS 16 3HZ LYS 16 12.259 -3.850 -14.098 155 H TYR 17 H TYR 17 14.585 1.056 -10.705 156 HA TYR 17 HA TYR 17 14.017 2.943 -8.545 157 HB2 TYR 17 2HB TYR 17 16.348 2.484 -7.841 158 HB3 TYR 17 3HB TYR 17 15.376 1.021 -7.948 159 HD1 TYR 17 HD1 TYR 17 15.840 -0.663 -9.621 160 HD2 TYR 17 HD2 TYR 17 18.137 2.914 -9.447 161 HE1 TYR 17 HE1 TYR 17 17.518 -1.676 -11.107 162 HE2 TYR 17 HE2 TYR 17 19.821 1.912 -10.934 163 HH TYR 17 HH TYR 17 20.584 -0.184 -11.702 164 H GLY 18 H GLY 18 13.974 3.700 -11.406 165 HA2 GLY 18 2HA GLY 18 16.247 5.576 -11.478 166 HA3 GLY 18 3HA GLY 18 15.330 5.049 -12.882 Start of MODEL 14 1 H1 ARG 1 H ARG 1 -0.119 -3.266 0.299 2 HA ARG 1 HA ARG 1 0.127 -0.442 0.106 3 HB2 ARG 1 2HB ARG 1 2.275 -1.983 1.508 4 HB3 ARG 1 3HB ARG 1 2.723 -0.620 0.490 5 HG2 ARG 1 2HG ARG 1 0.750 -0.457 2.756 6 HG3 ARG 1 3HG ARG 1 2.465 -0.063 2.896 7 HD2 ARG 1 2HD ARG 1 2.101 1.580 1.005 8 HD3 ARG 1 3HD ARG 1 0.373 1.311 1.226 9 HE ARG 1 HE ARG 1 1.516 1.971 3.702 10 HH11 ARG 1 1HH1 ARG 1 0.792 3.417 0.619 11 HH12 ARG 1 2HH1 ARG 1 0.603 5.013 1.265 12 HH21 ARG 1 1HH2 ARG 1 1.269 4.068 4.565 13 HH22 ARG 1 2HH2 ARG 1 0.875 5.383 3.509 14 H GLY 2 H GLY 2 1.099 0.200 -1.812 15 HA2 GLY 2 2HA GLY 2 2.753 -1.420 -3.415 16 HA3 GLY 2 3HA GLY 2 1.086 -1.634 -3.930 17 H LEU 3 H LEU 3 2.072 -0.744 -5.954 18 HA LEU 3 HA LEU 3 2.272 2.188 -5.875 19 HB2 LEU 3 2HB LEU 3 3.091 0.336 -8.104 20 HB3 LEU 3 3HB LEU 3 3.436 2.059 -7.972 21 HG LEU 3 HG LEU 3 4.534 -0.039 -6.103 22 HD11 LEU 3 1HD1 LEU 3 5.411 -0.440 -8.309 23 HD12 LEU 3 2HD1 LEU 3 6.658 0.312 -7.315 24 HD13 LEU 3 3HD1 LEU 3 5.787 1.272 -8.511 25 HD21 LEU 3 1HD2 LEU 3 4.752 2.911 -6.326 26 HD22 LEU 3 2HD2 LEU 3 6.205 2.013 -5.884 27 HD23 LEU 3 3HD2 LEU 3 4.749 1.878 -4.897 28 H ARG 4 H ARG 4 0.207 2.904 -6.046 29 HA ARG 4 HA ARG 4 -1.365 1.936 -8.342 30 HB2 ARG 4 2HB ARG 4 -3.366 2.678 -7.107 31 HB3 ARG 4 3HB ARG 4 -2.462 1.452 -6.229 32 HG2 ARG 4 2HG ARG 4 -1.366 3.431 -5.009 33 HG3 ARG 4 3HG ARG 4 -2.711 4.376 -5.653 34 HD2 ARG 4 2HD ARG 4 -3.829 2.026 -4.593 35 HD3 ARG 4 3HD ARG 4 -2.652 2.591 -3.408 36 HE ARG 4 HE ARG 4 -4.005 4.387 -2.965 37 HH11 ARG 4 1HH1 ARG 4 -5.052 2.852 -5.909 38 HH12 ARG 4 2HH1 ARG 4 -6.505 3.788 -6.034 39 HH21 ARG 4 1HH2 ARG 4 -5.915 5.626 -3.118 40 HH22 ARG 4 2HH2 ARG 4 -6.994 5.366 -4.447 41 H ARG 5 H ARG 5 -0.391 4.785 -6.495 42 HA ARG 5 HA ARG 5 -0.852 6.412 -8.890 43 HB2 ARG 5 2HB ARG 5 -1.970 6.871 -6.150 44 HB3 ARG 5 3HB ARG 5 -1.574 8.250 -7.166 45 HG2 ARG 5 2HG ARG 5 -3.729 7.991 -7.789 46 HG3 ARG 5 3HG ARG 5 -3.002 6.853 -8.924 47 HD2 ARG 5 2HD ARG 5 -3.633 4.997 -7.644 48 HD3 ARG 5 3HD ARG 5 -3.927 5.978 -6.209 49 HE ARG 5 HE ARG 5 -5.786 5.388 -8.273 50 HH11 ARG 5 1HH1 ARG 5 -4.815 7.886 -6.051 51 HH12 ARG 5 2HH1 ARG 5 -6.383 8.621 -5.989 52 HH21 ARG 5 1HH2 ARG 5 -7.854 6.346 -8.199 53 HH22 ARG 5 2HH2 ARG 5 -8.111 7.743 -7.210 54 H LEU 6 H LEU 6 1.525 5.254 -7.559 55 HA LEU 6 HA LEU 6 2.908 7.590 -6.502 56 HB2 LEU 6 2HB LEU 6 3.190 4.733 -6.293 57 HB3 LEU 6 3HB LEU 6 4.715 5.468 -6.783 58 HG LEU 6 HG LEU 6 4.481 5.136 -4.330 59 HD11 LEU 6 1HD1 LEU 6 5.990 6.757 -4.284 60 HD12 LEU 6 2HD1 LEU 6 4.685 7.938 -4.168 61 HD13 LEU 6 3HD1 LEU 6 5.315 7.473 -5.748 62 HD21 LEU 6 1HD2 LEU 6 2.967 6.424 -3.044 63 HD22 LEU 6 2HD2 LEU 6 2.015 5.665 -4.320 64 HD23 LEU 6 3HD2 LEU 6 2.463 7.366 -4.448 65 H GLY 7 H GLY 7 2.873 5.529 -9.345 66 HA2 GLY 7 2HA GLY 7 5.242 6.255 -10.577 67 HA3 GLY 7 3HA GLY 7 3.767 5.840 -11.438 68 H ARG 8 H ARG 8 2.160 7.991 -10.557 69 HA ARG 8 HA ARG 8 3.099 10.028 -12.351 70 HB2 ARG 8 2HB ARG 8 0.962 11.165 -11.768 71 HB3 ARG 8 3HB ARG 8 0.746 9.514 -12.336 72 HG2 ARG 8 2HG ARG 8 0.043 8.757 -10.303 73 HG3 ARG 8 3HG ARG 8 0.962 9.970 -9.410 74 HD2 ARG 8 2HD ARG 8 -1.323 10.805 -11.146 75 HD3 ARG 8 3HD ARG 8 -1.635 10.138 -9.544 76 HE ARG 8 HE ARG 8 0.288 12.131 -9.265 77 HH11 ARG 8 1HH1 ARG 8 -3.048 11.832 -10.213 78 HH12 ARG 8 2HH1 ARG 8 -3.479 13.423 -9.677 79 HH21 ARG 8 1HH2 ARG 8 -0.266 14.227 -8.556 80 HH22 ARG 8 2HH2 ARG 8 -1.895 14.784 -8.736 81 H LYS 9 H LYS 9 3.092 9.508 -8.929 82 HA LYS 9 HA LYS 9 3.554 12.267 -8.239 83 HB2 LYS 9 2HB LYS 9 2.422 10.926 -6.614 84 HB3 LYS 9 3HB LYS 9 3.683 9.700 -6.658 85 HG2 LYS 9 2HG LYS 9 5.200 11.064 -5.493 86 HG3 LYS 9 3HG LYS 9 4.220 12.510 -5.751 87 HD2 LYS 9 2HD LYS 9 3.145 10.169 -4.216 88 HD3 LYS 9 3HD LYS 9 4.167 11.376 -3.433 89 HE2 LYS 9 2HE LYS 9 2.611 13.132 -4.070 90 HE3 LYS 9 3HE LYS 9 1.609 11.959 -4.923 91 HZ1 LYS 9 1HZ LYS 9 0.734 11.183 -3.014 92 HZ2 LYS 9 2HZ LYS 9 1.156 12.710 -2.423 93 HZ3 LYS 9 3HZ LYS 9 2.161 11.382 -2.127 94 H ILE 10 H ILE 10 5.463 9.558 -9.166 95 HA ILE 10 HA ILE 10 7.918 10.933 -8.306 96 HB ILE 10 HB ILE 10 7.642 8.059 -9.186 97 HG12 ILE 10 2HG1 ILE 10 7.895 9.154 -6.378 98 HG13 ILE 10 3HG1 ILE 10 6.398 8.557 -7.085 99 HG21 ILE 10 1HG2 ILE 10 9.860 7.973 -9.140 100 HG22 ILE 10 2HG2 ILE 10 9.885 9.719 -8.897 101 HG23 ILE 10 3HG2 ILE 10 9.891 8.636 -7.506 102 HD11 ILE 10 1HD1 ILE 10 7.588 6.953 -5.588 103 HD12 ILE 10 2HD1 ILE 10 7.251 6.346 -7.210 104 HD13 ILE 10 3HD1 ILE 10 8.877 6.885 -6.790 105 H ALA 11 H ALA 11 7.046 8.712 -10.957 106 HA ALA 11 HA ALA 11 7.608 10.603 -13.004 107 HB1 ALA 11 1HB ALA 11 9.591 9.064 -13.851 108 HB2 ALA 11 2HB ALA 11 9.867 10.429 -12.769 109 HB3 ALA 11 3HB ALA 11 9.786 8.791 -12.120 110 H HIS 12 H HIS 12 6.289 10.030 -14.591 111 HA HIS 12 HA HIS 12 4.833 7.690 -14.731 112 HB2 HIS 12 2HB HIS 12 4.397 8.307 -17.113 113 HB3 HIS 12 3HB HIS 12 4.154 9.635 -15.982 114 HD1 HIS 12 HD1 HIS 12 5.985 11.532 -15.991 115 HD2 HIS 12 HD2 HIS 12 6.326 8.729 -19.039 116 HE1 HIS 12 HE1 HIS 12 7.548 12.555 -17.675 117 H GLY 13 H GLY 13 5.534 5.672 -14.941 118 HA2 GLY 13 2HA GLY 13 6.468 3.856 -16.063 119 HA3 GLY 13 3HA GLY 13 7.273 4.975 -17.153 120 H VAL 14 H VAL 14 7.510 5.270 -13.682 121 HA VAL 14 HA VAL 14 10.387 4.787 -13.884 122 HB VAL 14 HB VAL 14 9.468 6.867 -12.777 123 HG11 VAL 14 1HG1 VAL 14 8.093 6.770 -11.024 124 HG12 VAL 14 2HG1 VAL 14 7.882 5.062 -11.412 125 HG13 VAL 14 3HG1 VAL 14 9.082 5.554 -10.217 126 HG21 VAL 14 1HG2 VAL 14 11.540 5.049 -11.821 127 HG22 VAL 14 2HG2 VAL 14 11.610 6.784 -12.130 128 HG23 VAL 14 3HG2 VAL 14 10.984 6.187 -10.593 129 H LYS 15 H LYS 15 8.438 2.592 -13.921 130 HA LYS 15 HA LYS 15 8.134 1.242 -11.538 131 HB2 LYS 15 2HB LYS 15 8.084 -0.829 -12.886 132 HB3 LYS 15 3HB LYS 15 7.117 0.457 -13.595 133 HG2 LYS 15 2HG LYS 15 8.876 0.928 -15.200 134 HG3 LYS 15 3HG LYS 15 9.896 -0.312 -14.466 135 HD2 LYS 15 2HD LYS 15 7.776 -1.823 -14.951 136 HD3 LYS 15 3HD LYS 15 7.487 -0.597 -16.188 137 HE2 LYS 15 2HE LYS 15 10.162 -1.924 -15.897 138 HE3 LYS 15 3HE LYS 15 8.863 -2.677 -16.822 139 HZ1 LYS 15 1HZ LYS 15 8.976 -0.068 -17.690 140 HZ2 LYS 15 2HZ LYS 15 9.513 -1.438 -18.523 141 HZ3 LYS 15 3HZ LYS 15 10.592 -0.553 -17.568 142 H LYS 16 H LYS 16 11.005 1.664 -13.463 143 HA LYS 16 HA LYS 16 12.525 -0.378 -12.132 144 HB2 LYS 16 2HB LYS 16 13.630 1.936 -13.720 145 HB3 LYS 16 3HB LYS 16 14.377 0.369 -13.433 146 HG2 LYS 16 2HG LYS 16 12.201 -0.481 -14.680 147 HG3 LYS 16 3HG LYS 16 12.265 1.145 -15.363 148 HD2 LYS 16 2HD LYS 16 13.576 0.057 -16.880 149 HD3 LYS 16 3HD LYS 16 14.815 0.497 -15.702 150 HE2 LYS 16 2HE LYS 16 15.317 -1.704 -15.870 151 HE3 LYS 16 3HE LYS 16 14.041 -1.843 -14.662 152 HZ1 LYS 16 1HZ LYS 16 12.769 -1.873 -17.107 153 HZ2 LYS 16 2HZ LYS 16 13.004 -3.185 -16.067 154 HZ3 LYS 16 3HZ LYS 16 14.118 -2.874 -17.301 155 H TYR 17 H TYR 17 14.917 0.761 -11.530 156 HA TYR 17 HA TYR 17 14.246 2.296 -9.130 157 HB2 TYR 17 2HB TYR 17 16.324 1.570 -8.221 158 HB3 TYR 17 3HB TYR 17 15.605 0.165 -9.001 159 HD1 TYR 17 HD1 TYR 17 16.428 -0.455 -11.334 160 HD2 TYR 17 HD2 TYR 17 18.473 2.296 -8.814 161 HE1 TYR 17 HE1 TYR 17 18.476 -0.775 -12.657 162 HE2 TYR 17 HE2 TYR 17 20.526 1.985 -10.131 163 HH TYR 17 HH TYR 17 20.600 -0.203 -12.930 164 H GLY 18 H GLY 18 14.473 3.391 -11.924 165 HA2 GLY 18 2HA GLY 18 16.844 4.945 -12.089 166 HA3 GLY 18 3HA GLY 18 15.365 5.219 -12.997 Start of MODEL 15 1 H1 ARG 1 H ARG 1 3.543 -1.274 -5.874 2 HA ARG 1 HA ARG 1 2.979 -2.109 -3.122 3 HB2 ARG 1 2HB ARG 1 5.709 -1.488 -4.250 4 HB3 ARG 1 3HB ARG 1 5.360 -1.520 -2.527 5 HG2 ARG 1 2HG ARG 1 4.518 -3.902 -2.933 6 HG3 ARG 1 3HG ARG 1 5.353 -3.787 -4.483 7 HD2 ARG 1 2HD ARG 1 7.031 -4.670 -3.214 8 HD3 ARG 1 3HD ARG 1 7.335 -2.953 -2.948 9 HE ARG 1 HE ARG 1 6.728 -3.217 -0.753 10 HH11 ARG 1 1HH1 ARG 1 5.729 -6.014 -2.570 11 HH12 ARG 1 2HH1 ARG 1 5.278 -6.926 -1.168 12 HH21 ARG 1 1HH2 ARG 1 6.138 -4.408 1.101 13 HH22 ARG 1 2HH2 ARG 1 5.510 -6.011 0.920 14 H GLY 2 H GLY 2 1.586 -0.136 -4.324 15 HA2 GLY 2 2HA GLY 2 0.873 1.966 -3.582 16 HA3 GLY 2 3HA GLY 2 2.424 2.187 -2.786 17 H LEU 3 H LEU 3 2.098 1.234 -6.141 18 HA LEU 3 HA LEU 3 3.306 3.804 -6.908 19 HB2 LEU 3 2HB LEU 3 3.518 1.031 -7.994 20 HB3 LEU 3 3HB LEU 3 3.810 2.406 -9.057 21 HG LEU 3 HG LEU 3 5.895 1.489 -8.184 22 HD11 LEU 3 1HD1 LEU 3 6.635 3.568 -8.368 23 HD12 LEU 3 2HD1 LEU 3 6.182 3.862 -6.689 24 HD13 LEU 3 3HD1 LEU 3 5.034 4.202 -7.984 25 HD21 LEU 3 1HD2 LEU 3 5.234 2.427 -5.436 26 HD22 LEU 3 2HD2 LEU 3 6.384 1.198 -5.965 27 HD23 LEU 3 3HD2 LEU 3 4.655 0.845 -5.957 28 H ARG 4 H ARG 4 0.412 3.181 -6.536 29 HA ARG 4 HA ARG 4 -0.605 3.421 -9.267 30 HB2 ARG 4 2HB ARG 4 -1.563 2.100 -7.031 31 HB3 ARG 4 3HB ARG 4 -2.579 3.533 -7.120 32 HG2 ARG 4 2HG ARG 4 -2.132 1.943 -9.595 33 HG3 ARG 4 3HG ARG 4 -3.235 1.323 -8.365 34 HD2 ARG 4 2HD ARG 4 -3.900 4.015 -8.642 35 HD3 ARG 4 3HD ARG 4 -3.619 3.445 -10.287 36 HE ARG 4 HE ARG 4 -5.812 2.770 -8.585 37 HH11 ARG 4 1HH1 ARG 4 -3.792 1.609 -11.172 38 HH12 ARG 4 2HH1 ARG 4 -4.987 0.516 -11.789 39 HH21 ARG 4 1HH2 ARG 4 -7.393 1.335 -9.388 40 HH22 ARG 4 2HH2 ARG 4 -7.035 0.361 -10.774 41 H ARG 5 H ARG 5 -0.192 5.254 -6.328 42 HA ARG 5 HA ARG 5 -1.436 7.581 -7.642 43 HB2 ARG 5 2HB ARG 5 -1.644 6.524 -4.920 44 HB3 ARG 5 3HB ARG 5 -1.263 8.240 -4.971 45 HG2 ARG 5 2HG ARG 5 -3.250 8.200 -6.753 46 HG3 ARG 5 3HG ARG 5 -3.723 6.815 -5.767 47 HD2 ARG 5 2HD ARG 5 -3.424 8.325 -3.755 48 HD3 ARG 5 3HD ARG 5 -3.308 9.664 -4.896 49 HE ARG 5 HE ARG 5 -5.645 8.099 -5.341 50 HH11 ARG 5 1HH1 ARG 5 -4.285 10.567 -3.296 51 HH12 ARG 5 2HH1 ARG 5 -5.821 11.253 -2.881 52 HH21 ARG 5 1HH2 ARG 5 -7.673 8.993 -4.802 53 HH22 ARG 5 2HH2 ARG 5 -7.747 10.356 -3.737 54 H LEU 6 H LEU 6 1.382 6.292 -6.103 55 HA LEU 6 HA LEU 6 2.688 8.869 -5.869 56 HB2 LEU 6 2HB LEU 6 3.034 6.282 -4.751 57 HB3 LEU 6 3HB LEU 6 4.522 6.712 -5.592 58 HG LEU 6 HG LEU 6 4.548 7.281 -3.186 59 HD11 LEU 6 1HD1 LEU 6 5.975 8.893 -3.717 60 HD12 LEU 6 2HD1 LEU 6 4.661 9.968 -4.194 61 HD13 LEU 6 3HD1 LEU 6 5.348 8.842 -5.365 62 HD21 LEU 6 1HD2 LEU 6 3.126 8.853 -2.227 63 HD22 LEU 6 2HD2 LEU 6 2.045 7.885 -3.229 64 HD23 LEU 6 3HD2 LEU 6 2.589 9.467 -3.791 65 H GLY 7 H GLY 7 2.431 6.302 -8.155 66 HA2 GLY 7 2HA GLY 7 4.850 6.590 -9.548 67 HA3 GLY 7 3HA GLY 7 3.349 5.987 -10.234 68 H ARG 8 H ARG 8 1.825 8.381 -9.785 69 HA ARG 8 HA ARG 8 2.642 9.836 -12.124 70 HB2 ARG 8 2HB ARG 8 0.576 10.988 -11.948 71 HB3 ARG 8 3HB ARG 8 0.251 9.327 -11.471 72 HG2 ARG 8 2HG ARG 8 0.497 10.084 -9.082 73 HG3 ARG 8 3HG ARG 8 0.512 11.738 -9.698 74 HD2 ARG 8 2HD ARG 8 -1.688 9.785 -10.324 75 HD3 ARG 8 3HD ARG 8 -1.726 10.841 -8.913 76 HE ARG 8 HE ARG 8 -1.248 12.483 -11.073 77 HH11 ARG 8 1HH1 ARG 8 -3.743 10.271 -10.072 78 HH12 ARG 8 2HH1 ARG 8 -5.010 11.126 -10.887 79 HH21 ARG 8 1HH2 ARG 8 -2.908 13.618 -12.151 80 HH22 ARG 8 2HH2 ARG 8 -4.534 13.029 -12.070 81 H LYS 9 H LYS 9 2.957 10.216 -8.700 82 HA LYS 9 HA LYS 9 3.562 13.036 -8.811 83 HB2 LYS 9 2HB LYS 9 2.521 12.239 -6.808 84 HB3 LYS 9 3HB LYS 9 3.733 10.980 -6.607 85 HG2 LYS 9 2HG LYS 9 4.090 12.795 -5.037 86 HG3 LYS 9 3HG LYS 9 5.434 12.674 -6.176 87 HD2 LYS 9 2HD LYS 9 4.859 14.995 -5.879 88 HD3 LYS 9 3HD LYS 9 4.404 14.495 -7.509 89 HE2 LYS 9 2HE LYS 9 2.117 14.419 -6.956 90 HE3 LYS 9 3HE LYS 9 2.450 14.467 -5.226 91 HZ1 LYS 9 1HZ LYS 9 1.717 16.595 -6.612 92 HZ2 LYS 9 2HZ LYS 9 3.393 16.732 -6.793 93 HZ3 LYS 9 3HZ LYS 9 2.710 16.694 -5.245 94 H ILE 10 H ILE 10 5.280 10.071 -9.114 95 HA ILE 10 HA ILE 10 7.850 11.479 -8.837 96 HB ILE 10 HB ILE 10 7.390 8.496 -8.872 97 HG12 ILE 10 2HG1 ILE 10 7.944 10.289 -6.500 98 HG13 ILE 10 3HG1 ILE 10 6.363 9.628 -6.899 99 HG21 ILE 10 1HG2 ILE 10 9.606 8.242 -8.827 100 HG22 ILE 10 2HG2 ILE 10 9.694 9.927 -9.338 101 HG23 ILE 10 3HG2 ILE 10 9.812 9.517 -7.627 102 HD11 ILE 10 1HD1 ILE 10 7.667 8.424 -5.115 103 HD12 ILE 10 2HD1 ILE 10 7.063 7.428 -6.439 104 HD13 ILE 10 3HD1 ILE 10 8.762 7.899 -6.394 105 H ALA 11 H ALA 11 6.691 8.671 -10.705 106 HA ALA 11 HA ALA 11 7.120 9.900 -13.230 107 HB1 ALA 11 1HB ALA 11 8.998 8.093 -13.750 108 HB2 ALA 11 2HB ALA 11 9.383 9.706 -13.148 109 HB3 ALA 11 3HB ALA 11 9.338 8.338 -12.037 110 H HIS 12 H HIS 12 5.668 8.964 -14.496 111 HA HIS 12 HA HIS 12 4.164 6.736 -13.872 112 HB2 HIS 12 2HB HIS 12 3.532 6.693 -16.282 113 HB3 HIS 12 3HB HIS 12 3.431 8.298 -15.564 114 HD1 HIS 12 HD1 HIS 12 5.294 10.019 -16.270 115 HD2 HIS 12 HD2 HIS 12 5.306 6.442 -18.384 116 HE1 HIS 12 HE1 HIS 12 6.731 10.437 -18.291 117 H GLY 13 H GLY 13 4.763 4.694 -13.606 118 HA2 GLY 13 2HA GLY 13 5.586 2.610 -14.226 119 HA3 GLY 13 3HA GLY 13 6.313 3.351 -15.644 120 H VAL 14 H VAL 14 6.853 4.576 -12.417 121 HA VAL 14 HA VAL 14 9.693 3.929 -12.702 122 HB VAL 14 HB VAL 14 8.925 6.280 -12.175 123 HG11 VAL 14 1HG1 VAL 14 7.706 6.755 -10.369 124 HG12 VAL 14 2HG1 VAL 14 7.423 5.019 -10.228 125 HG13 VAL 14 3HG1 VAL 14 8.734 5.776 -9.323 126 HG21 VAL 14 1HG2 VAL 14 11.029 4.714 -10.898 127 HG22 VAL 14 2HG2 VAL 14 11.112 6.283 -11.698 128 HG23 VAL 14 3HG2 VAL 14 10.610 6.179 -10.011 129 H LYS 15 H LYS 15 7.697 1.911 -11.952 130 HA LYS 15 HA LYS 15 7.569 1.314 -9.265 131 HB2 LYS 15 2HB LYS 15 7.386 -1.063 -9.963 132 HB3 LYS 15 3HB LYS 15 6.352 0.013 -10.893 133 HG2 LYS 15 2HG LYS 15 7.939 -0.024 -12.734 134 HG3 LYS 15 3HG LYS 15 9.016 -1.064 -11.798 135 HD2 LYS 15 2HD LYS 15 6.178 -1.854 -12.388 136 HD3 LYS 15 3HD LYS 15 7.486 -2.175 -13.530 137 HE2 LYS 15 2HE LYS 15 7.856 -2.980 -10.690 138 HE3 LYS 15 3HE LYS 15 6.773 -3.941 -11.695 139 HZ1 LYS 15 1HZ LYS 15 9.671 -3.600 -11.883 140 HZ2 LYS 15 2HZ LYS 15 8.814 -3.811 -13.325 141 HZ3 LYS 15 3HZ LYS 15 8.730 -4.987 -12.112 142 H LYS 16 H LYS 16 10.272 1.027 -11.443 143 HA LYS 16 HA LYS 16 11.854 -0.614 -9.697 144 HB2 LYS 16 2HB LYS 16 12.871 1.092 -11.966 145 HB3 LYS 16 3HB LYS 16 13.603 -0.359 -11.295 146 HG2 LYS 16 2HG LYS 16 11.336 -1.452 -12.073 147 HG3 LYS 16 3HG LYS 16 11.324 -0.076 -13.178 148 HD2 LYS 16 2HD LYS 16 13.564 -2.078 -12.880 149 HD3 LYS 16 3HD LYS 16 12.381 -2.045 -14.189 150 HE2 LYS 16 2HE LYS 16 14.438 0.063 -13.544 151 HE3 LYS 16 3HE LYS 16 14.427 -1.016 -14.938 152 HZ1 LYS 16 1HZ LYS 16 12.398 1.074 -14.357 153 HZ2 LYS 16 2HZ LYS 16 12.393 0.042 -15.697 154 HZ3 LYS 16 3HZ LYS 16 13.625 1.187 -15.516 155 H TYR 17 H TYR 17 14.316 0.542 -9.643 156 HA TYR 17 HA TYR 17 14.238 2.163 -7.393 157 HB2 TYR 17 2HB TYR 17 16.605 2.591 -7.793 158 HB3 TYR 17 3HB TYR 17 16.231 0.903 -8.122 159 HD1 TYR 17 HD1 TYR 17 16.402 0.004 -10.350 160 HD2 TYR 17 HD2 TYR 17 17.120 4.135 -9.628 161 HE1 TYR 17 HE1 TYR 17 17.394 0.217 -12.590 162 HE2 TYR 17 HE2 TYR 17 18.113 4.360 -11.867 163 HH TYR 17 HH TYR 17 17.798 2.963 -14.169 164 H GLY 18 H GLY 18 13.932 2.996 -10.744 165 HA2 GLY 18 2HA GLY 18 13.353 4.981 -11.749 166 HA3 GLY 18 3HA GLY 18 13.037 5.622 -10.143 Start of MODEL 16 1 H1 ARG 1 H ARG 1 -0.311 0.352 1.742 2 HA ARG 1 HA ARG 1 2.393 1.026 0.786 3 HB2 ARG 1 2HB ARG 1 2.732 -1.506 0.857 4 HB3 ARG 1 3HB ARG 1 2.649 -0.667 2.401 5 HG2 ARG 1 2HG ARG 1 0.121 -1.756 1.310 6 HG3 ARG 1 3HG ARG 1 1.314 -2.906 1.917 7 HD2 ARG 1 2HD ARG 1 0.684 -0.537 3.594 8 HD3 ARG 1 3HD ARG 1 -0.526 -1.815 3.488 9 HE ARG 1 HE ARG 1 2.045 -2.880 4.055 10 HH11 ARG 1 1HH1 ARG 1 -0.640 -1.200 5.501 11 HH12 ARG 1 2HH1 ARG 1 -0.328 -1.804 7.095 12 HH21 ARG 1 1HH2 ARG 1 2.466 -3.682 6.149 13 HH22 ARG 1 2HH2 ARG 1 1.440 -3.215 7.462 14 H GLY 2 H GLY 2 3.068 0.171 -1.243 15 HA2 GLY 2 2HA GLY 2 2.630 -1.014 -3.281 16 HA3 GLY 2 3HA GLY 2 0.909 -0.837 -2.970 17 H LEU 3 H LEU 3 2.852 -0.050 -5.223 18 HA LEU 3 HA LEU 3 2.591 2.824 -5.321 19 HB2 LEU 3 2HB LEU 3 3.451 0.946 -7.512 20 HB3 LEU 3 3HB LEU 3 3.728 2.684 -7.431 21 HG LEU 3 HG LEU 3 4.939 0.681 -5.530 22 HD11 LEU 3 1HD1 LEU 3 7.048 1.356 -6.845 23 HD12 LEU 3 2HD1 LEU 3 5.920 1.830 -8.114 24 HD13 LEU 3 3HD1 LEU 3 5.959 0.160 -7.549 25 HD21 LEU 3 1HD2 LEU 3 4.925 3.613 -5.739 26 HD22 LEU 3 2HD2 LEU 3 6.511 2.883 -5.489 27 HD23 LEU 3 3HD2 LEU 3 5.206 2.573 -4.343 28 H ARG 4 H ARG 4 0.347 3.149 -5.269 29 HA ARG 4 HA ARG 4 -1.213 2.089 -7.508 30 HB2 ARG 4 2HB ARG 4 -2.106 1.931 -5.180 31 HB3 ARG 4 3HB ARG 4 -2.163 3.688 -5.126 32 HG2 ARG 4 2HG ARG 4 -4.344 3.032 -5.637 33 HG3 ARG 4 3HG ARG 4 -3.658 3.540 -7.181 34 HD2 ARG 4 2HD ARG 4 -3.498 0.674 -6.354 35 HD3 ARG 4 3HD ARG 4 -5.005 1.311 -7.010 36 HE ARG 4 HE ARG 4 -2.571 0.785 -8.449 37 HH11 ARG 4 1HH1 ARG 4 -5.539 2.604 -8.398 38 HH12 ARG 4 2HH1 ARG 4 -5.573 2.845 -10.114 39 HH21 ARG 4 1HH2 ARG 4 -2.604 1.096 -10.708 40 HH22 ARG 4 2HH2 ARG 4 -3.903 1.986 -11.427 41 H ARG 5 H ARG 5 -0.325 5.171 -5.995 42 HA ARG 5 HA ARG 5 -0.807 6.489 -8.571 43 HB2 ARG 5 2HB ARG 5 -1.867 7.343 -5.883 44 HB3 ARG 5 3HB ARG 5 -1.677 8.479 -7.212 45 HG2 ARG 5 2HG ARG 5 -3.396 7.582 -8.412 46 HG3 ARG 5 3HG ARG 5 -3.181 5.971 -7.723 47 HD2 ARG 5 2HD ARG 5 -5.200 6.782 -6.820 48 HD3 ARG 5 3HD ARG 5 -4.004 6.953 -5.536 49 HE ARG 5 HE ARG 5 -4.341 9.308 -7.160 50 HH11 ARG 5 1HH1 ARG 5 -5.440 7.555 -4.360 51 HH12 ARG 5 2HH1 ARG 5 -6.089 8.957 -3.576 52 HH21 ARG 5 1HH2 ARG 5 -5.192 11.161 -6.138 53 HH22 ARG 5 2HH2 ARG 5 -5.948 11.007 -4.588 54 H LEU 6 H LEU 6 1.639 5.602 -7.386 55 HA LEU 6 HA LEU 6 2.926 8.064 -6.470 56 HB2 LEU 6 2HB LEU 6 3.322 5.264 -6.006 57 HB3 LEU 6 3HB LEU 6 4.803 5.973 -6.645 58 HG LEU 6 HG LEU 6 4.681 5.885 -4.156 59 HD11 LEU 6 1HD1 LEU 6 6.182 7.501 -4.362 60 HD12 LEU 6 2HD1 LEU 6 4.876 8.684 -4.287 61 HD13 LEU 6 3HD1 LEU 6 5.422 8.071 -5.848 62 HD21 LEU 6 1HD2 LEU 6 3.213 7.288 -2.944 63 HD22 LEU 6 2HD2 LEU 6 2.211 6.407 -4.097 64 HD23 LEU 6 3HD2 LEU 6 2.647 8.088 -4.411 65 H GLY 7 H GLY 7 2.927 5.781 -9.138 66 HA2 GLY 7 2HA GLY 7 5.234 6.504 -10.481 67 HA3 GLY 7 3HA GLY 7 3.760 5.963 -11.271 68 H ARG 8 H ARG 8 2.103 8.137 -10.464 69 HA ARG 8 HA ARG 8 2.871 10.039 -12.472 70 HB2 ARG 8 2HB ARG 8 0.741 11.115 -11.989 71 HB3 ARG 8 3HB ARG 8 0.522 9.377 -12.145 72 HG2 ARG 8 2HG ARG 8 0.613 9.244 -9.639 73 HG3 ARG 8 3HG ARG 8 0.552 11.008 -9.621 74 HD2 ARG 8 2HD ARG 8 -1.505 9.202 -10.888 75 HD3 ARG 8 3HD ARG 8 -1.666 9.979 -9.314 76 HE ARG 8 HE ARG 8 -1.134 11.918 -11.292 77 HH11 ARG 8 1HH1 ARG 8 -3.657 9.794 -10.178 78 HH12 ARG 8 2HH1 ARG 8 -4.941 10.814 -10.736 79 HH21 ARG 8 1HH2 ARG 8 -2.816 13.269 -12.032 80 HH22 ARG 8 2HH2 ARG 8 -4.462 12.790 -11.792 81 H LYS 9 H LYS 9 3.088 9.814 -9.024 82 HA LYS 9 HA LYS 9 3.520 12.634 -8.604 83 HB2 LYS 9 2HB LYS 9 2.514 11.413 -6.807 84 HB3 LYS 9 3HB LYS 9 3.807 10.221 -6.813 85 HG2 LYS 9 2HG LYS 9 4.002 11.754 -4.929 86 HG3 LYS 9 3HG LYS 9 5.382 11.892 -6.021 87 HD2 LYS 9 2HD LYS 9 4.484 13.905 -6.985 88 HD3 LYS 9 3HD LYS 9 2.988 13.727 -6.066 89 HE2 LYS 9 2HE LYS 9 5.734 14.177 -4.899 90 HE3 LYS 9 3HE LYS 9 4.477 15.401 -5.072 91 HZ1 LYS 9 1HZ LYS 9 4.361 14.647 -2.866 92 HZ2 LYS 9 2HZ LYS 9 4.466 13.020 -3.313 93 HZ3 LYS 9 3HZ LYS 9 3.062 13.901 -3.653 94 H ILE 10 H ILE 10 5.436 9.886 -9.400 95 HA ILE 10 HA ILE 10 7.903 11.380 -8.815 96 HB ILE 10 HB ILE 10 7.646 8.432 -9.410 97 HG12 ILE 10 2HG1 ILE 10 8.034 9.788 -6.734 98 HG13 ILE 10 3HG1 ILE 10 6.514 9.099 -7.292 99 HG21 ILE 10 1HG2 ILE 10 9.868 8.361 -9.436 100 HG22 ILE 10 2HG2 ILE 10 9.858 10.123 -9.461 101 HG23 ILE 10 3HG2 ILE 10 9.974 9.264 -7.926 102 HD11 ILE 10 1HD1 ILE 10 7.845 7.671 -5.727 103 HD12 ILE 10 2HD1 ILE 10 7.397 6.905 -7.251 104 HD13 ILE 10 3HD1 ILE 10 9.040 7.500 -7.012 105 H ALA 11 H ALA 11 6.980 8.884 -11.187 106 HA ALA 11 HA ALA 11 7.382 10.603 -13.429 107 HB1 ALA 11 1HB ALA 11 9.320 8.991 -14.247 108 HB2 ALA 11 2HB ALA 11 9.651 10.449 -13.310 109 HB3 ALA 11 3HB ALA 11 9.615 8.877 -12.512 110 H HIS 12 H HIS 12 5.977 9.890 -14.881 111 HA HIS 12 HA HIS 12 4.527 7.548 -14.728 112 HB2 HIS 12 2HB HIS 12 3.944 7.951 -17.121 113 HB3 HIS 12 3HB HIS 12 3.774 9.381 -16.106 114 HD1 HIS 12 HD1 HIS 12 5.611 11.251 -16.401 115 HD2 HIS 12 HD2 HIS 12 5.743 8.181 -19.197 116 HE1 HIS 12 HE1 HIS 12 7.066 12.104 -18.267 117 H GLY 13 H GLY 13 5.201 5.513 -14.823 118 HA2 GLY 13 2HA GLY 13 6.086 3.606 -15.822 119 HA3 GLY 13 3HA GLY 13 6.821 4.625 -17.051 120 H VAL 14 H VAL 14 7.261 5.230 -13.642 121 HA VAL 14 HA VAL 14 10.122 4.724 -13.969 122 HB VAL 14 HB VAL 14 9.264 6.897 -13.002 123 HG11 VAL 14 1HG1 VAL 14 7.990 6.962 -11.174 124 HG12 VAL 14 2HG1 VAL 14 7.768 5.224 -11.388 125 HG13 VAL 14 3HG1 VAL 14 9.032 5.827 -10.315 126 HG21 VAL 14 1HG2 VAL 14 11.393 5.169 -12.009 127 HG22 VAL 14 2HG2 VAL 14 11.439 6.869 -12.475 128 HG23 VAL 14 3HG2 VAL 14 10.906 6.412 -10.857 129 H LYS 15 H LYS 15 8.185 2.537 -13.694 130 HA LYS 15 HA LYS 15 8.024 1.409 -11.185 131 HB2 LYS 15 2HB LYS 15 7.948 -0.787 -12.356 132 HB3 LYS 15 3HB LYS 15 6.880 0.420 -13.060 133 HG2 LYS 15 2HG LYS 15 8.320 0.753 -14.907 134 HG3 LYS 15 3HG LYS 15 9.622 -0.163 -14.142 135 HD2 LYS 15 2HD LYS 15 6.966 -1.410 -14.792 136 HD3 LYS 15 3HD LYS 15 8.276 -1.334 -15.972 137 HE2 LYS 15 2HE LYS 15 9.629 -2.762 -14.752 138 HE3 LYS 15 3HE LYS 15 8.792 -2.426 -13.238 139 HZ1 LYS 15 1HZ LYS 15 8.277 -4.635 -14.064 140 HZ2 LYS 15 2HZ LYS 15 7.689 -3.987 -15.511 141 HZ3 LYS 15 3HZ LYS 15 6.889 -3.668 -14.055 142 H LYS 16 H LYS 16 10.778 1.654 -13.301 143 HA LYS 16 HA LYS 16 12.382 -0.267 -11.900 144 HB2 LYS 16 2HB LYS 16 13.407 1.925 -13.696 145 HB3 LYS 16 3HB LYS 16 14.147 0.366 -13.358 146 HG2 LYS 16 2HG LYS 16 11.706 -0.324 -14.420 147 HG3 LYS 16 3HG LYS 16 12.168 1.100 -15.354 148 HD2 LYS 16 2HD LYS 16 13.910 -1.325 -14.915 149 HD3 LYS 16 3HD LYS 16 12.959 -1.010 -16.368 150 HE2 LYS 16 2HE LYS 16 15.084 0.844 -15.306 151 HE3 LYS 16 3HE LYS 16 15.375 -0.381 -16.539 152 HZ1 LYS 16 1HZ LYS 16 14.151 0.753 -18.086 153 HZ2 LYS 16 2HZ LYS 16 14.805 2.047 -17.215 154 HZ3 LYS 16 3HZ LYS 16 13.208 1.561 -16.937 155 H TYR 17 H TYR 17 14.795 0.921 -11.512 156 HA TYR 17 HA TYR 17 14.250 2.589 -9.176 157 HB2 TYR 17 2HB TYR 17 16.417 1.988 -8.393 158 HB3 TYR 17 3HB TYR 17 15.696 0.517 -9.038 159 HD1 TYR 17 HD1 TYR 17 16.371 -0.218 -11.380 160 HD2 TYR 17 HD2 TYR 17 18.479 2.766 -9.200 161 HE1 TYR 17 HE1 TYR 17 18.324 -0.541 -12.839 162 HE2 TYR 17 HE2 TYR 17 20.438 2.452 -10.653 163 HH TYR 17 HH TYR 17 20.304 0.460 -13.513 164 H GLY 18 H GLY 18 14.235 3.528 -12.041 165 HA2 GLY 18 2HA GLY 18 15.155 6.093 -11.725 166 HA3 GLY 18 3HA GLY 18 16.535 5.207 -12.357 Start of MODEL 17 1 H1 ARG 1 H ARG 1 6.908 -1.087 -1.449 2 HA ARG 1 HA ARG 1 6.829 -1.579 -4.014 3 HB2 ARG 1 2HB ARG 1 5.669 -3.703 -3.648 4 HB3 ARG 1 3HB ARG 1 6.810 -3.373 -2.351 5 HG2 ARG 1 2HG ARG 1 4.623 -2.320 -1.250 6 HG3 ARG 1 3HG ARG 1 3.860 -3.520 -2.296 7 HD2 ARG 1 2HD ARG 1 4.956 -5.300 -1.241 8 HD3 ARG 1 3HD ARG 1 6.151 -4.238 -0.497 9 HE ARG 1 HE ARG 1 3.556 -4.898 0.521 10 HH11 ARG 1 1HH1 ARG 1 6.060 -2.480 0.486 11 HH12 ARG 1 2HH1 ARG 1 5.604 -1.798 2.011 12 HH21 ARG 1 1HH2 ARG 1 2.945 -4.008 2.530 13 HH22 ARG 1 2HH2 ARG 1 3.832 -2.668 3.174 14 H GLY 2 H GLY 2 4.045 -0.435 -2.246 15 HA2 GLY 2 2HA GLY 2 2.208 -0.832 -4.438 16 HA3 GLY 2 3HA GLY 2 1.872 0.005 -2.930 17 H LEU 3 H LEU 3 2.507 0.348 -6.228 18 HA LEU 3 HA LEU 3 2.642 3.266 -5.908 19 HB2 LEU 3 2HB LEU 3 4.260 1.594 -7.822 20 HB3 LEU 3 3HB LEU 3 4.136 3.350 -7.893 21 HG LEU 3 HG LEU 3 5.280 1.820 -5.559 22 HD11 LEU 3 1HD1 LEU 3 7.387 3.088 -6.612 23 HD12 LEU 3 2HD1 LEU 3 6.479 2.763 -8.088 24 HD13 LEU 3 3HD1 LEU 3 6.950 1.432 -7.032 25 HD21 LEU 3 1HD2 LEU 3 4.296 4.360 -5.614 26 HD22 LEU 3 2HD2 LEU 3 5.995 4.625 -6.007 27 HD23 LEU 3 3HD2 LEU 3 5.554 3.786 -4.519 28 H ARG 4 H ARG 4 0.457 3.473 -6.380 29 HA ARG 4 HA ARG 4 -0.276 2.827 -9.160 30 HB2 ARG 4 2HB ARG 4 -2.114 2.832 -6.758 31 HB3 ARG 4 3HB ARG 4 -2.584 2.491 -8.418 32 HG2 ARG 4 2HG ARG 4 -0.524 0.851 -6.982 33 HG3 ARG 4 3HG ARG 4 -2.251 0.508 -6.866 34 HD2 ARG 4 2HD ARG 4 -0.810 0.752 -9.495 35 HD3 ARG 4 3HD ARG 4 -0.954 -0.776 -8.627 36 HE ARG 4 HE ARG 4 -3.507 0.346 -8.892 37 HH11 ARG 4 1HH1 ARG 4 -0.998 -1.059 -10.855 38 HH12 ARG 4 2HH1 ARG 4 -2.093 -1.652 -12.060 39 HH21 ARG 4 1HH2 ARG 4 -4.958 -0.430 -10.472 40 HH22 ARG 4 2HH2 ARG 4 -4.345 -1.293 -11.842 41 H ARG 5 H ARG 5 -0.600 5.052 -6.453 42 HA ARG 5 HA ARG 5 -1.804 7.046 -8.243 43 HB2 ARG 5 2HB ARG 5 -2.549 6.307 -5.721 44 HB3 ARG 5 3HB ARG 5 -1.542 7.709 -5.389 45 HG2 ARG 5 2HG ARG 5 -3.023 8.744 -7.338 46 HG3 ARG 5 3HG ARG 5 -4.162 7.531 -6.749 47 HD2 ARG 5 2HD ARG 5 -4.669 9.423 -5.488 48 HD3 ARG 5 3HD ARG 5 -3.642 8.470 -4.417 49 HE ARG 5 HE ARG 5 -2.139 10.343 -5.956 50 HH11 ARG 5 1HH1 ARG 5 -4.168 10.008 -3.147 51 HH12 ARG 5 2HH1 ARG 5 -3.477 11.368 -2.325 52 HH21 ARG 5 1HH2 ARG 5 -1.222 12.135 -4.884 53 HH22 ARG 5 2HH2 ARG 5 -1.802 12.578 -3.314 54 H LEU 6 H LEU 6 1.020 6.313 -6.363 55 HA LEU 6 HA LEU 6 2.106 8.968 -6.418 56 HB2 LEU 6 2HB LEU 6 2.792 6.409 -5.279 57 HB3 LEU 6 3HB LEU 6 4.199 7.154 -6.035 58 HG LEU 6 HG LEU 6 3.958 7.616 -3.596 59 HD11 LEU 6 1HD1 LEU 6 5.180 9.412 -4.031 60 HD12 LEU 6 2HD1 LEU 6 3.743 10.314 -4.510 61 HD13 LEU 6 3HD1 LEU 6 4.624 9.360 -5.704 62 HD21 LEU 6 1HD2 LEU 6 2.267 9.089 -2.796 63 HD22 LEU 6 2HD2 LEU 6 1.459 7.786 -3.667 64 HD23 LEU 6 3HD2 LEU 6 1.652 9.367 -4.425 65 H GLY 7 H GLY 7 2.157 6.201 -8.510 66 HA2 GLY 7 2HA GLY 7 4.469 6.581 -9.978 67 HA3 GLY 7 3HA GLY 7 2.974 5.937 -10.641 68 H ARG 8 H ARG 8 1.391 8.283 -10.262 69 HA ARG 8 HA ARG 8 2.205 9.733 -12.608 70 HB2 ARG 8 2HB ARG 8 0.093 10.827 -12.477 71 HB3 ARG 8 3HB ARG 8 -0.178 9.147 -12.034 72 HG2 ARG 8 2HG ARG 8 -1.297 9.991 -10.300 73 HG3 ARG 8 3HG ARG 8 0.299 10.289 -9.608 74 HD2 ARG 8 2HD ARG 8 -0.541 12.390 -9.424 75 HD3 ARG 8 3HD ARG 8 0.076 12.502 -11.072 76 HE ARG 8 HE ARG 8 -2.453 11.628 -11.431 77 HH11 ARG 8 1HH1 ARG 8 -1.085 14.277 -9.632 78 HH12 ARG 8 2HH1 ARG 8 -2.475 15.293 -9.819 79 HH21 ARG 8 1HH2 ARG 8 -4.290 12.957 -11.684 80 HH22 ARG 8 2HH2 ARG 8 -4.298 14.541 -10.986 81 H LYS 9 H LYS 9 2.385 10.183 -9.176 82 HA LYS 9 HA LYS 9 2.881 13.017 -9.303 83 HB2 LYS 9 2HB LYS 9 1.853 12.188 -7.309 84 HB3 LYS 9 3HB LYS 9 3.115 10.984 -7.085 85 HG2 LYS 9 2HG LYS 9 3.387 12.806 -5.518 86 HG3 LYS 9 3HG LYS 9 4.736 12.766 -6.656 87 HD2 LYS 9 2HD LYS 9 3.990 15.052 -6.304 88 HD3 LYS 9 3HD LYS 9 3.665 14.550 -7.964 89 HE2 LYS 9 2HE LYS 9 1.340 14.147 -7.420 90 HE3 LYS 9 3HE LYS 9 1.643 14.529 -5.726 91 HZ1 LYS 9 1HZ LYS 9 0.646 16.392 -6.906 92 HZ2 LYS 9 2HZ LYS 9 1.940 16.423 -7.994 93 HZ3 LYS 9 3HZ LYS 9 2.199 16.786 -6.362 94 H ILE 10 H ILE 10 4.759 10.109 -9.431 95 HA ILE 10 HA ILE 10 7.252 11.627 -9.121 96 HB ILE 10 HB ILE 10 6.920 8.632 -9.307 97 HG12 ILE 10 2HG1 ILE 10 7.304 10.339 -6.839 98 HG13 ILE 10 3HG1 ILE 10 5.778 9.605 -7.320 99 HG21 ILE 10 1HG2 ILE 10 9.139 8.501 -9.284 100 HG22 ILE 10 2HG2 ILE 10 9.177 10.242 -9.557 101 HG23 ILE 10 3HG2 ILE 10 9.250 9.606 -7.914 102 HD11 ILE 10 1HD1 ILE 10 7.132 8.413 -5.543 103 HD12 ILE 10 2HD1 ILE 10 6.571 7.440 -6.903 104 HD13 ILE 10 3HD1 ILE 10 8.249 7.978 -6.836 105 H ALA 11 H ALA 11 6.091 8.957 -11.189 106 HA ALA 11 HA ALA 11 6.538 10.266 -13.627 107 HB1 ALA 11 1HB ALA 11 8.594 8.444 -13.985 108 HB2 ALA 11 2HB ALA 11 8.754 10.193 -13.814 109 HB3 ALA 11 3HB ALA 11 8.912 9.151 -12.400 110 H HIS 12 H HIS 12 5.087 9.275 -14.853 111 HA HIS 12 HA HIS 12 3.875 6.846 -14.344 112 HB2 HIS 12 2HB HIS 12 4.240 8.237 -17.005 113 HB3 HIS 12 3HB HIS 12 3.111 6.918 -16.711 114 HD1 HIS 12 HD1 HIS 12 3.152 10.442 -16.939 115 HD2 HIS 12 HD2 HIS 12 1.280 7.734 -14.405 116 HE1 HIS 12 HE1 HIS 12 1.231 11.699 -15.912 117 H GLY 13 H GLY 13 4.907 4.963 -14.113 118 HA2 GLY 13 2HA GLY 13 5.805 3.008 -15.115 119 HA3 GLY 13 3HA GLY 13 6.528 4.012 -16.363 120 H VAL 14 H VAL 14 6.822 4.937 -13.035 121 HA VAL 14 HA VAL 14 9.705 4.477 -13.199 122 HB VAL 14 HB VAL 14 8.763 6.723 -12.524 123 HG11 VAL 14 1HG1 VAL 14 7.413 6.965 -10.766 124 HG12 VAL 14 2HG1 VAL 14 7.238 5.209 -10.783 125 HG13 VAL 14 3HG1 VAL 14 8.443 5.966 -9.741 126 HG21 VAL 14 1HG2 VAL 14 10.887 5.177 -11.256 127 HG22 VAL 14 2HG2 VAL 14 10.914 6.814 -11.912 128 HG23 VAL 14 3HG2 VAL 14 10.325 6.531 -10.274 129 H LYS 15 H LYS 15 7.826 2.278 -12.749 130 HA LYS 15 HA LYS 15 7.580 1.440 -10.135 131 HB2 LYS 15 2HB LYS 15 7.597 -0.870 -11.035 132 HB3 LYS 15 3HB LYS 15 6.563 0.214 -11.955 133 HG2 LYS 15 2HG LYS 15 8.619 0.496 -13.492 134 HG3 LYS 15 3HG LYS 15 9.194 -0.982 -12.717 135 HD2 LYS 15 2HD LYS 15 6.639 -1.671 -13.319 136 HD3 LYS 15 3HD LYS 15 7.018 -0.581 -14.656 137 HE2 LYS 15 2HE LYS 15 9.277 -2.123 -14.484 138 HE3 LYS 15 3HE LYS 15 8.004 -3.273 -14.080 139 HZ1 LYS 15 1HZ LYS 15 8.175 -1.608 -16.532 140 HZ2 LYS 15 2HZ LYS 15 6.851 -2.582 -16.132 141 HZ3 LYS 15 3HZ LYS 15 8.360 -3.287 -16.433 142 H LYS 16 H LYS 16 10.423 1.536 -12.144 143 HA LYS 16 HA LYS 16 12.027 -0.185 -10.530 144 HB2 LYS 16 2HB LYS 16 13.010 1.972 -12.399 145 HB3 LYS 16 3HB LYS 16 13.868 0.525 -11.886 146 HG2 LYS 16 2HG LYS 16 11.449 -0.311 -13.085 147 HG3 LYS 16 3HG LYS 16 12.182 0.897 -14.143 148 HD2 LYS 16 2HD LYS 16 13.218 -1.002 -14.904 149 HD3 LYS 16 3HD LYS 16 14.367 -0.492 -13.664 150 HE2 LYS 16 2HE LYS 16 14.148 -2.642 -13.000 151 HE3 LYS 16 3HE LYS 16 12.736 -1.999 -12.163 152 HZ1 LYS 16 1HZ LYS 16 12.538 -4.095 -13.670 153 HZ2 LYS 16 2HZ LYS 16 12.436 -2.961 -14.920 154 HZ3 LYS 16 3HZ LYS 16 11.306 -2.936 -13.661 155 H TYR 17 H TYR 17 14.353 1.139 -10.054 156 HA TYR 17 HA TYR 17 13.559 3.146 -8.047 157 HB2 TYR 17 2HB TYR 17 15.679 2.430 -6.858 158 HB3 TYR 17 3HB TYR 17 14.388 1.235 -6.899 159 HD1 TYR 17 HD1 TYR 17 14.560 -0.715 -8.429 160 HD2 TYR 17 HD2 TYR 17 17.779 2.019 -7.911 161 HE1 TYR 17 HE1 TYR 17 16.104 -2.357 -9.413 162 HE2 TYR 17 HE2 TYR 17 19.332 0.385 -8.894 163 HH TYR 17 HH TYR 17 18.218 -2.520 -10.425 164 H GLY 18 H GLY 18 13.892 4.214 -10.447 165 HA2 GLY 18 2HA GLY 18 16.666 5.218 -10.527 166 HA3 GLY 18 3HA GLY 18 15.566 5.199 -11.898 Start of MODEL 18 1 H1 ARG 1 H ARG 1 0.839 -2.334 -4.020 2 HA ARG 1 HA ARG 1 -0.452 -2.074 -1.383 3 HB2 ARG 1 2HB ARG 1 1.643 -3.982 -2.382 4 HB3 ARG 1 3HB ARG 1 1.492 -3.627 -0.666 5 HG2 ARG 1 2HG ARG 1 -0.840 -4.564 -2.303 6 HG3 ARG 1 3HG ARG 1 0.293 -5.687 -1.548 7 HD2 ARG 1 2HD ARG 1 -1.315 -3.578 -0.112 8 HD3 ARG 1 3HD ARG 1 -1.687 -5.301 -0.152 9 HE ARG 1 HE ARG 1 0.832 -5.241 0.823 10 HH11 ARG 1 1HH1 ARG 1 -2.109 -3.601 1.706 11 HH12 ARG 1 2HH1 ARG 1 -1.694 -3.485 3.384 12 HH21 ARG 1 1HH2 ARG 1 1.389 -5.095 3.030 13 HH22 ARG 1 2HH2 ARG 1 0.296 -4.334 4.136 14 H GLY 2 H GLY 2 0.793 0.058 -2.913 15 HA2 GLY 2 2HA GLY 2 2.183 1.401 -0.947 16 HA3 GLY 2 3HA GLY 2 3.409 0.562 -1.886 17 H LEU 3 H LEU 3 3.407 0.967 -4.244 18 HA LEU 3 HA LEU 3 3.055 3.807 -4.727 19 HB2 LEU 3 2HB LEU 3 4.211 1.672 -6.513 20 HB3 LEU 3 3HB LEU 3 4.301 3.412 -6.776 21 HG LEU 3 HG LEU 3 5.570 1.995 -4.437 22 HD11 LEU 3 1HD1 LEU 3 7.666 2.726 -5.880 23 HD12 LEU 3 2HD1 LEU 3 6.524 2.489 -7.202 24 HD13 LEU 3 3HD1 LEU 3 6.881 1.161 -6.098 25 HD21 LEU 3 1HD2 LEU 3 5.825 4.788 -5.543 26 HD22 LEU 3 2HD2 LEU 3 6.859 4.109 -4.286 27 HD23 LEU 3 3HD2 LEU 3 5.132 4.317 -3.990 28 H ARG 4 H ARG 4 0.752 3.870 -4.784 29 HA ARG 4 HA ARG 4 -0.521 2.509 -7.043 30 HB2 ARG 4 2HB ARG 4 -1.559 2.364 -4.779 31 HB3 ARG 4 3HB ARG 4 -1.806 4.104 -4.822 32 HG2 ARG 4 2HG ARG 4 -3.048 3.552 -7.067 33 HG3 ARG 4 3HG ARG 4 -3.192 1.953 -6.334 34 HD2 ARG 4 2HD ARG 4 -4.225 2.967 -4.354 35 HD3 ARG 4 3HD ARG 4 -4.095 4.556 -5.106 36 HE ARG 4 HE ARG 4 -5.501 2.848 -6.830 37 HH11 ARG 4 1HH1 ARG 4 -5.869 4.436 -3.754 38 HH12 ARG 4 2HH1 ARG 4 -7.595 4.545 -3.870 39 HH21 ARG 4 1HH2 ARG 4 -7.772 2.986 -6.995 40 HH22 ARG 4 2HH2 ARG 4 -8.676 3.719 -5.713 41 H ARG 5 H ARG 5 -0.034 5.740 -5.680 42 HA ARG 5 HA ARG 5 -0.639 6.858 -8.333 43 HB2 ARG 5 2HB ARG 5 -1.563 7.857 -5.643 44 HB3 ARG 5 3HB ARG 5 -1.544 8.880 -7.073 45 HG2 ARG 5 2HG ARG 5 -3.216 7.657 -8.125 46 HG3 ARG 5 3HG ARG 5 -2.965 6.248 -7.093 47 HD2 ARG 5 2HD ARG 5 -4.094 8.902 -6.209 48 HD3 ARG 5 3HD ARG 5 -5.031 7.442 -6.527 49 HE ARG 5 HE ARG 5 -3.269 6.615 -4.667 50 HH11 ARG 5 1HH1 ARG 5 -5.411 9.354 -4.833 51 HH12 ARG 5 2HH1 ARG 5 -5.640 9.445 -3.118 52 HH21 ARG 5 1HH2 ARG 5 -3.562 6.724 -2.407 53 HH22 ARG 5 2HH2 ARG 5 -4.587 7.948 -1.739 54 H LEU 6 H LEU 6 1.897 6.149 -7.044 55 HA LEU 6 HA LEU 6 3.106 8.747 -6.484 56 HB2 LEU 6 2HB LEU 6 3.634 6.026 -5.729 57 HB3 LEU 6 3HB LEU 6 5.071 6.742 -6.456 58 HG LEU 6 HG LEU 6 4.973 6.904 -3.971 59 HD11 LEU 6 1HD1 LEU 6 6.361 8.596 -4.305 60 HD12 LEU 6 2HD1 LEU 6 4.989 9.694 -4.450 61 HD13 LEU 6 3HD1 LEU 6 5.636 8.898 -5.885 62 HD21 LEU 6 1HD2 LEU 6 3.451 8.390 -2.903 63 HD22 LEU 6 2HD2 LEU 6 2.495 7.287 -3.893 64 HD23 LEU 6 3HD2 LEU 6 2.799 8.933 -4.449 65 H GLY 7 H GLY 7 3.096 6.200 -8.889 66 HA2 GLY 7 2HA GLY 7 5.355 6.805 -10.364 67 HA3 GLY 7 3HA GLY 7 3.866 6.174 -11.053 68 H ARG 8 H ARG 8 2.204 8.400 -10.430 69 HA ARG 8 HA ARG 8 2.900 10.099 -12.638 70 HB2 ARG 8 2HB ARG 8 0.631 10.367 -10.657 71 HB3 ARG 8 3HB ARG 8 0.770 11.204 -12.198 72 HG2 ARG 8 2HG ARG 8 0.293 9.309 -13.424 73 HG3 ARG 8 3HG ARG 8 0.780 8.221 -12.123 74 HD2 ARG 8 2HD ARG 8 -1.204 8.514 -10.961 75 HD3 ARG 8 3HD ARG 8 -1.558 10.048 -11.757 76 HE ARG 8 HE ARG 8 -1.558 7.891 -13.610 77 HH11 ARG 8 1HH1 ARG 8 -3.453 9.420 -11.122 78 HH12 ARG 8 2HH1 ARG 8 -4.970 8.893 -11.772 79 HH21 ARG 8 1HH2 ARG 8 -3.548 7.191 -14.475 80 HH22 ARG 8 2HH2 ARG 8 -5.023 7.624 -13.679 81 H LYS 9 H LYS 9 3.201 10.225 -9.190 82 HA LYS 9 HA LYS 9 3.607 13.076 -9.067 83 HB2 LYS 9 2HB LYS 9 2.662 12.037 -7.130 84 HB3 LYS 9 3HB LYS 9 3.964 10.857 -7.052 85 HG2 LYS 9 2HG LYS 9 5.480 12.393 -6.211 86 HG3 LYS 9 3HG LYS 9 4.549 13.777 -6.789 87 HD2 LYS 9 2HD LYS 9 2.737 12.979 -5.147 88 HD3 LYS 9 3HD LYS 9 4.020 12.004 -4.425 89 HE2 LYS 9 2HE LYS 9 5.343 14.002 -4.028 90 HE3 LYS 9 3HE LYS 9 4.120 14.994 -4.821 91 HZ1 LYS 9 1HZ LYS 9 3.660 13.392 -2.363 92 HZ2 LYS 9 2HZ LYS 9 2.561 14.450 -3.095 93 HZ3 LYS 9 3HZ LYS 9 3.972 15.055 -2.384 94 H ILE 10 H ILE 10 5.539 10.284 -9.633 95 HA ILE 10 HA ILE 10 8.000 11.855 -9.263 96 HB ILE 10 HB ILE 10 7.767 8.859 -9.555 97 HG12 ILE 10 2HG1 ILE 10 8.202 10.480 -7.037 98 HG13 ILE 10 3HG1 ILE 10 6.677 9.723 -7.486 99 HG21 ILE 10 1HG2 ILE 10 9.980 8.845 -9.704 100 HG22 ILE 10 2HG2 ILE 10 9.961 10.607 -9.763 101 HG23 ILE 10 3HG2 ILE 10 10.120 9.779 -8.214 102 HD11 ILE 10 1HD1 ILE 10 8.083 8.479 -5.819 103 HD12 ILE 10 2HD1 ILE 10 7.578 7.556 -7.234 104 HD13 ILE 10 3HD1 ILE 10 9.225 8.176 -7.128 105 H ALA 11 H ALA 11 7.052 9.124 -11.350 106 HA ALA 11 HA ALA 11 7.377 10.615 -13.762 107 HB1 ALA 11 1HB ALA 11 9.315 8.949 -14.463 108 HB2 ALA 11 2HB ALA 11 9.649 10.498 -13.688 109 HB3 ALA 11 3HB ALA 11 9.655 9.015 -12.733 110 H HIS 12 H HIS 12 5.946 9.746 -15.099 111 HA HIS 12 HA HIS 12 4.532 7.414 -14.677 112 HB2 HIS 12 2HB HIS 12 3.881 7.573 -17.079 113 HB3 HIS 12 3HB HIS 12 3.722 9.096 -16.209 114 HD1 HIS 12 HD1 HIS 12 5.480 7.503 -19.041 115 HD2 HIS 12 HD2 HIS 12 5.670 11.063 -16.908 116 HE1 HIS 12 HE1 HIS 12 6.887 9.050 -20.439 117 H GLY 13 H GLY 13 5.222 5.385 -14.596 118 HA2 GLY 13 2HA GLY 13 6.110 3.400 -15.421 119 HA3 GLY 13 3HA GLY 13 6.800 4.299 -16.765 120 H VAL 14 H VAL 14 7.319 5.243 -13.444 121 HA VAL 14 HA VAL 14 10.177 4.737 -13.796 122 HB VAL 14 HB VAL 14 9.319 6.988 -13.030 123 HG11 VAL 14 1HG1 VAL 14 8.087 7.223 -11.188 124 HG12 VAL 14 2HG1 VAL 14 7.885 5.470 -11.215 125 HG13 VAL 14 3HG1 VAL 14 9.166 6.196 -10.244 126 HG21 VAL 14 1HG2 VAL 14 11.492 5.388 -11.924 127 HG22 VAL 14 2HG2 VAL 14 11.506 7.034 -12.559 128 HG23 VAL 14 3HG2 VAL 14 11.019 6.737 -10.890 129 H LYS 15 H LYS 15 8.280 2.568 -13.254 130 HA LYS 15 HA LYS 15 8.193 1.696 -10.641 131 HB2 LYS 15 2HB LYS 15 8.020 -0.575 -11.539 132 HB3 LYS 15 3HB LYS 15 7.050 0.552 -12.479 133 HG2 LYS 15 2HG LYS 15 8.643 0.567 -14.249 134 HG3 LYS 15 3HG LYS 15 9.810 -0.336 -13.280 135 HD2 LYS 15 2HD LYS 15 8.349 -2.274 -13.281 136 HD3 LYS 15 3HD LYS 15 7.118 -1.373 -14.169 137 HE2 LYS 15 2HE LYS 15 9.900 -1.919 -15.195 138 HE3 LYS 15 3HE LYS 15 8.490 -2.904 -15.582 139 HZ1 LYS 15 1HZ LYS 15 9.195 -0.225 -16.502 140 HZ2 LYS 15 2HZ LYS 15 7.552 -0.546 -16.258 141 HZ3 LYS 15 3HZ LYS 15 8.448 -1.493 -17.336 142 H LYS 16 H LYS 16 10.894 1.760 -12.837 143 HA LYS 16 HA LYS 16 12.559 0.000 -11.309 144 HB2 LYS 16 2HB LYS 16 13.511 2.054 -13.299 145 HB3 LYS 16 3HB LYS 16 14.285 0.540 -12.849 146 HG2 LYS 16 2HG LYS 16 11.770 -0.184 -13.817 147 HG3 LYS 16 3HG LYS 16 12.356 1.069 -14.914 148 HD2 LYS 16 2HD LYS 16 13.863 -1.421 -14.116 149 HD3 LYS 16 3HD LYS 16 13.031 -1.169 -15.652 150 HE2 LYS 16 2HE LYS 16 14.528 0.906 -15.886 151 HE3 LYS 16 3HE LYS 16 15.493 0.186 -14.599 152 HZ1 LYS 16 1HZ LYS 16 15.179 -0.646 -17.370 153 HZ2 LYS 16 2HZ LYS 16 15.280 -1.887 -16.225 154 HZ3 LYS 16 3HZ LYS 16 16.528 -0.751 -16.354 155 H TYR 17 H TYR 17 14.957 1.254 -11.068 156 HA TYR 17 HA TYR 17 14.426 3.101 -8.867 157 HB2 TYR 17 2HB TYR 17 16.684 2.642 -8.141 158 HB3 TYR 17 3HB TYR 17 15.885 1.115 -8.496 159 HD1 TYR 17 HD1 TYR 17 16.477 -0.144 -10.546 160 HD2 TYR 17 HD2 TYR 17 18.593 3.361 -9.386 161 HE1 TYR 17 HE1 TYR 17 18.312 -0.756 -12.065 162 HE2 TYR 17 HE2 TYR 17 20.434 2.758 -10.903 163 HH TYR 17 HH TYR 17 21.230 1.255 -12.325 164 H GLY 18 H GLY 18 14.334 3.810 -11.789 165 HA2 GLY 18 2HA GLY 18 14.698 5.875 -12.809 166 HA3 GLY 18 3HA GLY 18 15.843 6.274 -11.537 Start of MODEL 19 1 H1 ARG 1 H ARG 1 2.970 -4.272 -1.929 2 HA ARG 1 HA ARG 1 3.829 -3.264 -4.563 3 HB2 ARG 1 2HB ARG 1 1.477 -5.075 -3.984 4 HB3 ARG 1 3HB ARG 1 1.960 -4.478 -5.566 5 HG2 ARG 1 2HG ARG 1 3.875 -6.071 -3.919 6 HG3 ARG 1 3HG ARG 1 2.609 -6.877 -4.848 7 HD2 ARG 1 2HD ARG 1 4.449 -6.847 -6.289 8 HD3 ARG 1 3HD ARG 1 3.450 -5.500 -6.834 9 HE ARG 1 HE ARG 1 5.161 -4.093 -6.301 10 HH11 ARG 1 1HH1 ARG 1 5.592 -7.073 -4.555 11 HH12 ARG 1 2HH1 ARG 1 7.131 -6.620 -3.902 12 HH21 ARG 1 1HH2 ARG 1 7.187 -3.484 -5.448 13 HH22 ARG 1 2HH2 ARG 1 8.037 -4.578 -4.410 14 H GLY 2 H GLY 2 3.355 -1.149 -4.535 15 HA2 GLY 2 2HA GLY 2 0.593 -0.401 -3.816 16 HA3 GLY 2 3HA GLY 2 1.959 0.549 -3.250 17 H LEU 3 H LEU 3 2.536 2.242 -4.441 18 HA LEU 3 HA LEU 3 2.531 3.783 -6.117 19 HB2 LEU 3 2HB LEU 3 3.008 1.182 -7.482 20 HB3 LEU 3 3HB LEU 3 2.739 2.616 -8.472 21 HG LEU 3 HG LEU 3 5.134 2.062 -8.105 22 HD11 LEU 3 1HD1 LEU 3 5.353 4.218 -8.569 23 HD12 LEU 3 2HD1 LEU 3 5.301 4.559 -6.840 24 HD13 LEU 3 3HD1 LEU 3 3.815 4.587 -7.789 25 HD21 LEU 3 1HD2 LEU 3 4.731 3.003 -5.281 26 HD22 LEU 3 2HD2 LEU 3 6.160 2.262 -6.003 27 HD23 LEU 3 3HD2 LEU 3 4.714 1.293 -5.713 28 H ARG 4 H ARG 4 0.242 4.171 -5.464 29 HA ARG 4 HA ARG 4 -1.626 3.433 -7.619 30 HB2 ARG 4 2HB ARG 4 -2.313 4.320 -4.812 31 HB3 ARG 4 3HB ARG 4 -3.435 3.743 -6.038 32 HG2 ARG 4 2HG ARG 4 -2.111 1.566 -5.986 33 HG3 ARG 4 3HG ARG 4 -1.385 2.186 -4.502 34 HD2 ARG 4 2HD ARG 4 -3.290 0.749 -4.008 35 HD3 ARG 4 3HD ARG 4 -3.604 2.409 -3.506 36 HE ARG 4 HE ARG 4 -4.616 2.116 -6.078 37 HH11 ARG 4 1HH1 ARG 4 -5.187 0.834 -2.892 38 HH12 ARG 4 2HH1 ARG 4 -6.874 0.548 -3.167 39 HH21 ARG 4 1HH2 ARG 4 -6.835 1.744 -6.453 40 HH22 ARG 4 2HH2 ARG 4 -7.810 1.065 -5.193 41 H ARG 5 H ARG 5 -0.334 6.053 -5.680 42 HA ARG 5 HA ARG 5 -1.240 7.956 -7.687 43 HB2 ARG 5 2HB ARG 5 -2.089 8.001 -4.807 44 HB3 ARG 5 3HB ARG 5 -1.947 9.497 -5.719 45 HG2 ARG 5 2HG ARG 5 -3.478 8.357 -7.436 46 HG3 ARG 5 3HG ARG 5 -3.830 7.211 -6.142 47 HD2 ARG 5 2HD ARG 5 -4.656 8.960 -4.731 48 HD3 ARG 5 3HD ARG 5 -4.117 10.197 -5.867 49 HE ARG 5 HE ARG 5 -6.517 8.612 -6.031 50 HH11 ARG 5 1HH1 ARG 5 -4.211 10.539 -7.788 51 HH12 ARG 5 2HH1 ARG 5 -5.310 10.917 -9.073 52 HH21 ARG 5 1HH2 ARG 5 -7.974 9.104 -7.716 53 HH22 ARG 5 2HH2 ARG 5 -7.450 10.101 -9.030 54 H LEU 6 H LEU 6 1.329 6.872 -6.915 55 HA LEU 6 HA LEU 6 2.633 9.299 -5.870 56 HB2 LEU 6 2HB LEU 6 2.835 6.647 -5.012 57 HB3 LEU 6 3HB LEU 6 4.330 6.968 -5.887 58 HG LEU 6 HG LEU 6 4.511 7.351 -3.451 59 HD11 LEU 6 1HD1 LEU 6 6.104 8.804 -3.961 60 HD12 LEU 6 2HD1 LEU 6 4.911 10.072 -4.241 61 HD13 LEU 6 3HD1 LEU 6 5.379 8.996 -5.558 62 HD21 LEU 6 1HD2 LEU 6 3.335 9.039 -2.336 63 HD22 LEU 6 2HD2 LEU 6 2.110 8.213 -3.299 64 HD23 LEU 6 3HD2 LEU 6 2.763 9.760 -3.841 65 H GLY 7 H GLY 7 2.638 6.842 -8.373 66 HA2 GLY 7 2HA GLY 7 5.033 7.432 -9.662 67 HA3 GLY 7 3HA GLY 7 3.598 6.804 -10.457 68 H ARG 8 H ARG 8 1.986 9.152 -9.720 69 HA ARG 8 HA ARG 8 2.672 10.781 -11.980 70 HB2 ARG 8 2HB ARG 8 0.536 11.228 -9.887 71 HB3 ARG 8 3HB ARG 8 0.643 12.021 -11.453 72 HG2 ARG 8 2HG ARG 8 0.127 10.026 -12.607 73 HG3 ARG 8 3HG ARG 8 0.358 9.046 -11.158 74 HD2 ARG 8 2HD ARG 8 -1.669 9.617 -10.281 75 HD3 ARG 8 3HD ARG 8 -1.677 11.202 -11.054 76 HE ARG 8 HE ARG 8 -1.896 9.190 -13.013 77 HH11 ARG 8 1HH1 ARG 8 -3.725 10.698 -10.464 78 HH12 ARG 8 2HH1 ARG 8 -5.260 10.391 -11.207 79 HH21 ARG 8 1HH2 ARG 8 -3.910 8.781 -14.002 80 HH22 ARG 8 2HH2 ARG 8 -5.364 9.300 -13.219 81 H LYS 9 H LYS 9 3.221 10.899 -8.574 82 HA LYS 9 HA LYS 9 3.844 13.731 -8.551 83 HB2 LYS 9 2HB LYS 9 2.799 12.769 -6.580 84 HB3 LYS 9 3HB LYS 9 4.101 11.597 -6.425 85 HG2 LYS 9 2HG LYS 9 4.519 13.260 -4.815 86 HG3 LYS 9 3HG LYS 9 5.664 13.555 -6.126 87 HD2 LYS 9 2HD LYS 9 3.075 14.954 -6.335 88 HD3 LYS 9 3HD LYS 9 4.126 15.472 -5.016 89 HE2 LYS 9 2HE LYS 9 4.901 15.309 -7.927 90 HE3 LYS 9 3HE LYS 9 4.495 16.786 -7.054 91 HZ1 LYS 9 1HZ LYS 9 6.725 16.849 -6.812 92 HZ2 LYS 9 2HZ LYS 9 6.919 15.174 -6.951 93 HZ3 LYS 9 3HZ LYS 9 6.401 15.847 -5.488 94 H ILE 10 H ILE 10 5.489 10.707 -8.910 95 HA ILE 10 HA ILE 10 8.096 12.041 -8.657 96 HB ILE 10 HB ILE 10 7.596 9.074 -8.869 97 HG12 ILE 10 2HG1 ILE 10 8.030 10.730 -6.374 98 HG13 ILE 10 3HG1 ILE 10 6.495 10.021 -6.862 99 HG21 ILE 10 1HG2 ILE 10 9.806 8.859 -8.881 100 HG22 ILE 10 2HG2 ILE 10 9.924 10.608 -9.061 101 HG23 ILE 10 3HG2 ILE 10 9.965 9.883 -7.455 102 HD11 ILE 10 1HD1 ILE 10 7.773 8.772 -5.104 103 HD12 ILE 10 2HD1 ILE 10 7.300 7.827 -6.516 104 HD13 ILE 10 3HD1 ILE 10 8.963 8.391 -6.348 105 H ALA 11 H ALA 11 6.835 9.359 -10.640 106 HA ALA 11 HA ALA 11 7.204 10.677 -13.114 107 HB1 ALA 11 1HB ALA 11 9.130 8.793 -13.607 108 HB2 ALA 11 2HB ALA 11 9.425 10.505 -13.300 109 HB3 ALA 11 3HB ALA 11 9.538 9.340 -11.981 110 H HIS 12 H HIS 12 5.688 9.763 -14.318 111 HA HIS 12 HA HIS 12 4.340 7.414 -13.747 112 HB2 HIS 12 2HB HIS 12 3.607 9.245 -15.321 113 HB3 HIS 12 3HB HIS 12 4.689 8.551 -16.525 114 HD1 HIS 12 HD1 HIS 12 4.126 5.916 -17.083 115 HD2 HIS 12 HD2 HIS 12 1.107 8.207 -15.381 116 HE1 HIS 12 HE1 HIS 12 1.991 4.674 -17.557 117 H GLY 13 H GLY 13 5.176 5.437 -13.604 118 HA2 GLY 13 2HA GLY 13 5.953 3.445 -14.605 119 HA3 GLY 13 3HA GLY 13 6.698 4.401 -15.877 120 H VAL 14 H VAL 14 7.158 5.313 -12.566 121 HA VAL 14 HA VAL 14 9.997 4.654 -12.816 122 HB VAL 14 HB VAL 14 9.235 6.969 -12.142 123 HG11 VAL 14 1HG1 VAL 14 7.964 7.323 -10.346 124 HG12 VAL 14 2HG1 VAL 14 7.670 5.583 -10.330 125 HG13 VAL 14 3HG1 VAL 14 8.959 6.270 -9.341 126 HG21 VAL 14 1HG2 VAL 14 11.288 5.293 -10.923 127 HG22 VAL 14 2HG2 VAL 14 11.408 6.915 -11.605 128 HG23 VAL 14 3HG2 VAL 14 10.856 6.695 -9.944 129 H LYS 15 H LYS 15 7.971 2.605 -12.272 130 HA LYS 15 HA LYS 15 7.760 1.818 -9.639 131 HB2 LYS 15 2HB LYS 15 7.655 -0.527 -10.547 132 HB3 LYS 15 3HB LYS 15 6.559 0.616 -11.312 133 HG2 LYS 15 2HG LYS 15 7.697 0.596 -13.296 134 HG3 LYS 15 3HG LYS 15 9.232 0.166 -12.538 135 HD2 LYS 15 2HD LYS 15 6.936 -1.759 -12.538 136 HD3 LYS 15 3HD LYS 15 7.984 -1.610 -13.950 137 HE2 LYS 15 2HE LYS 15 9.897 -2.257 -12.705 138 HE3 LYS 15 3HE LYS 15 9.038 -2.098 -11.174 139 HZ1 LYS 15 1HZ LYS 15 9.231 -4.347 -12.868 140 HZ2 LYS 15 2HZ LYS 15 7.606 -3.908 -12.707 141 HZ3 LYS 15 3HZ LYS 15 8.533 -4.234 -11.331 142 H LYS 16 H LYS 16 10.524 1.674 -11.752 143 HA LYS 16 HA LYS 16 12.047 -0.123 -10.120 144 HB2 LYS 16 2HB LYS 16 13.164 1.810 -12.144 145 HB3 LYS 16 3HB LYS 16 13.843 0.274 -11.622 146 HG2 LYS 16 2HG LYS 16 11.333 -0.366 -12.638 147 HG3 LYS 16 3HG LYS 16 11.987 0.837 -13.752 148 HD2 LYS 16 2HD LYS 16 13.383 -1.688 -12.865 149 HD3 LYS 16 3HD LYS 16 12.591 -1.441 -14.423 150 HE2 LYS 16 2HE LYS 16 14.947 0.119 -13.365 151 HE3 LYS 16 3HE LYS 16 15.015 -1.148 -14.588 152 HZ1 LYS 16 1HZ LYS 16 14.693 0.436 -16.084 153 HZ2 LYS 16 2HZ LYS 16 14.395 1.603 -14.897 154 HZ3 LYS 16 3HZ LYS 16 13.127 0.647 -15.480 155 H TYR 17 H TYR 17 14.501 1.009 -9.845 156 HA TYR 17 HA TYR 17 14.008 2.953 -7.720 157 HB2 TYR 17 2HB TYR 17 16.205 2.395 -6.902 158 HB3 TYR 17 3HB TYR 17 15.351 0.898 -7.259 159 HD1 TYR 17 HD1 TYR 17 15.947 -0.408 -9.288 160 HD2 TYR 17 HD2 TYR 17 18.204 2.982 -8.058 161 HE1 TYR 17 HE1 TYR 17 17.808 -1.133 -10.724 162 HE2 TYR 17 HE2 TYR 17 20.070 2.267 -9.492 163 HH TYR 17 HH TYR 17 19.871 -0.713 -11.417 164 H GLY 18 H GLY 18 14.045 3.561 -10.671 165 HA2 GLY 18 2HA GLY 18 14.517 5.668 -11.627 166 HA3 GLY 18 3HA GLY 18 15.808 5.885 -10.455 Start of MODEL 20 1 H1 ARG 1 H ARG 1 -1.204 -0.587 -0.195 2 HA ARG 1 HA ARG 1 -3.383 0.628 -1.666 3 HB2 ARG 1 2HB ARG 1 -3.971 1.690 0.416 4 HB3 ARG 1 3HB ARG 1 -3.603 0.000 0.730 5 HG2 ARG 1 2HG ARG 1 -1.382 0.633 1.534 6 HG3 ARG 1 3HG ARG 1 -1.760 2.329 1.226 7 HD2 ARG 1 2HD ARG 1 -3.573 0.710 2.958 8 HD3 ARG 1 3HD ARG 1 -2.054 1.312 3.620 9 HE ARG 1 HE ARG 1 -4.406 2.830 3.074 10 HH11 ARG 1 1HH1 ARG 1 -0.930 2.987 3.194 11 HH12 ARG 1 2HH1 ARG 1 -0.887 4.691 3.503 12 HH21 ARG 1 1HH2 ARG 1 -4.362 5.074 3.480 13 HH22 ARG 1 2HH2 ARG 1 -2.840 5.877 3.667 14 H GLY 2 H GLY 2 -0.132 1.407 -0.702 15 HA2 GLY 2 2HA GLY 2 -0.426 4.237 -1.249 16 HA3 GLY 2 3HA GLY 2 1.058 3.405 -0.810 17 H LEU 3 H LEU 3 0.921 1.409 -2.866 18 HA LEU 3 HA LEU 3 2.274 2.739 -4.929 19 HB2 LEU 3 2HB LEU 3 1.521 0.048 -4.275 20 HB3 LEU 3 3HB LEU 3 1.251 0.347 -5.991 21 HG LEU 3 HG LEU 3 3.470 -0.651 -5.441 22 HD11 LEU 3 1HD1 LEU 3 4.631 0.592 -7.048 23 HD12 LEU 3 2HD1 LEU 3 3.801 2.088 -6.622 24 HD13 LEU 3 3HD1 LEU 3 2.931 0.806 -7.464 25 HD21 LEU 3 1HD2 LEU 3 4.372 2.019 -4.481 26 HD22 LEU 3 2HD2 LEU 3 5.060 0.421 -4.190 27 HD23 LEU 3 3HD2 LEU 3 3.599 0.921 -3.337 28 H ARG 4 H ARG 4 1.461 2.091 -7.337 29 HA ARG 4 HA ARG 4 0.063 2.632 -9.048 30 HB2 ARG 4 2HB ARG 4 -2.204 2.454 -7.065 31 HB3 ARG 4 3HB ARG 4 -2.275 2.223 -8.807 32 HG2 ARG 4 2HG ARG 4 -0.805 0.420 -6.895 33 HG3 ARG 4 3HG ARG 4 -2.422 0.118 -7.534 34 HD2 ARG 4 2HD ARG 4 -0.091 0.595 -9.358 35 HD3 ARG 4 3HD ARG 4 -0.411 -1.004 -8.688 36 HE ARG 4 HE ARG 4 -2.727 0.126 -9.908 37 HH11 ARG 4 1HH1 ARG 4 0.271 -1.515 -10.571 38 HH12 ARG 4 2HH1 ARG 4 -0.285 -2.207 -12.058 39 HH21 ARG 4 1HH2 ARG 4 -3.472 -0.780 -11.864 40 HH22 ARG 4 2HH2 ARG 4 -2.414 -1.788 -12.793 41 H ARG 5 H ARG 5 1.116 4.667 -7.112 42 HA ARG 5 HA ARG 5 -0.344 6.912 -8.188 43 HB2 ARG 5 2HB ARG 5 -0.408 6.220 -5.267 44 HB3 ARG 5 3HB ARG 5 -0.498 7.898 -5.786 45 HG2 ARG 5 2HG ARG 5 -2.441 7.169 -7.260 46 HG3 ARG 5 3HG ARG 5 -2.434 5.673 -6.323 47 HD2 ARG 5 2HD ARG 5 -2.338 8.058 -4.656 48 HD3 ARG 5 3HD ARG 5 -3.774 7.994 -5.677 49 HE ARG 5 HE ARG 5 -3.530 5.495 -4.529 50 HH11 ARG 5 1HH1 ARG 5 -3.953 8.775 -3.439 51 HH12 ARG 5 2HH1 ARG 5 -4.827 8.326 -2.013 52 HH21 ARG 5 1HH2 ARG 5 -4.681 4.892 -2.654 53 HH22 ARG 5 2HH2 ARG 5 -5.240 6.117 -1.566 54 H LEU 6 H LEU 6 2.174 5.766 -5.984 55 HA LEU 6 HA LEU 6 3.668 8.064 -5.680 56 HB2 LEU 6 2HB LEU 6 3.981 5.355 -5.115 57 HB3 LEU 6 3HB LEU 6 5.373 5.768 -6.115 58 HG LEU 6 HG LEU 6 5.831 5.925 -3.695 59 HD11 LEU 6 1HD1 LEU 6 7.354 7.419 -4.286 60 HD12 LEU 6 2HD1 LEU 6 6.150 8.705 -4.200 61 HD13 LEU 6 3HD1 LEU 6 6.397 7.829 -5.711 62 HD21 LEU 6 1HD2 LEU 6 4.723 7.339 -2.260 63 HD22 LEU 6 2HD2 LEU 6 3.401 6.805 -3.298 64 HD23 LEU 6 3HD2 LEU 6 4.145 8.383 -3.559 65 H GLY 7 H GLY 7 3.602 5.811 -8.392 66 HA2 GLY 7 2HA GLY 7 5.825 6.674 -9.812 67 HA3 GLY 7 3HA GLY 7 4.367 6.024 -10.546 68 H ARG 8 H ARG 8 2.705 8.206 -9.452 69 HA ARG 8 HA ARG 8 3.104 10.059 -11.612 70 HB2 ARG 8 2HB ARG 8 1.118 10.194 -9.337 71 HB3 ARG 8 3HB ARG 8 1.050 11.103 -10.841 72 HG2 ARG 8 2HG ARG 8 0.527 9.193 -12.099 73 HG3 ARG 8 3HG ARG 8 0.998 8.105 -10.792 74 HD2 ARG 8 2HD ARG 8 -0.937 8.476 -9.605 75 HD3 ARG 8 3HD ARG 8 -1.198 10.064 -10.324 76 HE ARG 8 HE ARG 8 -1.454 8.192 -12.359 77 HH11 ARG 8 1HH1 ARG 8 -3.048 9.015 -9.375 78 HH12 ARG 8 2HH1 ARG 8 -4.602 8.457 -9.900 79 HH21 ARG 8 1HH2 ARG 8 -3.494 7.454 -13.061 80 HH22 ARG 8 2HH2 ARG 8 -4.854 7.568 -11.997 81 H LYS 9 H LYS 9 3.847 9.939 -8.230 82 HA LYS 9 HA LYS 9 4.305 12.782 -7.988 83 HB2 LYS 9 2HB LYS 9 3.533 11.653 -6.023 84 HB3 LYS 9 3HB LYS 9 4.812 10.451 -6.138 85 HG2 LYS 9 2HG LYS 9 5.260 12.054 -4.367 86 HG3 LYS 9 3HG LYS 9 6.479 12.154 -5.641 87 HD2 LYS 9 2HD LYS 9 5.210 14.075 -6.603 88 HD3 LYS 9 3HD LYS 9 4.150 14.020 -5.192 89 HE2 LYS 9 2HE LYS 9 5.701 15.642 -4.609 90 HE3 LYS 9 3HE LYS 9 6.340 14.194 -3.833 91 HZ1 LYS 9 1HZ LYS 9 7.637 15.852 -5.632 92 HZ2 LYS 9 2HZ LYS 9 7.352 14.405 -6.460 93 HZ3 LYS 9 3HZ LYS 9 8.198 14.389 -4.996 94 H ILE 10 H ILE 10 6.131 9.942 -8.771 95 HA ILE 10 HA ILE 10 8.655 11.423 -8.561 96 HB ILE 10 HB ILE 10 8.279 8.489 -9.163 97 HG12 ILE 10 2HG1 ILE 10 8.958 9.806 -6.524 98 HG13 ILE 10 3HG1 ILE 10 7.391 9.114 -6.929 99 HG21 ILE 10 1HG2 ILE 10 10.474 8.421 -9.485 100 HG22 ILE 10 2HG2 ILE 10 10.511 10.180 -9.369 101 HG23 ILE 10 3HG2 ILE 10 10.766 9.195 -7.928 102 HD11 ILE 10 1HD1 ILE 10 8.933 7.694 -5.527 103 HD12 ILE 10 2HD1 ILE 10 8.256 6.929 -6.965 104 HD13 ILE 10 3HD1 ILE 10 9.922 7.506 -6.974 105 H ALA 11 H ALA 11 7.345 9.009 -10.839 106 HA ALA 11 HA ALA 11 7.472 10.714 -13.095 107 HB1 ALA 11 1HB ALA 11 9.398 8.999 -14.023 108 HB2 ALA 11 2HB ALA 11 9.672 10.655 -13.480 109 HB3 ALA 11 3HB ALA 11 9.923 9.309 -12.368 110 H HIS 12 H HIS 12 5.843 9.943 -14.253 111 HA HIS 12 HA HIS 12 4.629 7.479 -13.975 112 HB2 HIS 12 2HB HIS 12 3.827 9.600 -15.221 113 HB3 HIS 12 3HB HIS 12 4.652 8.913 -16.618 114 HD1 HIS 12 HD1 HIS 12 1.450 8.972 -15.033 115 HD2 HIS 12 HD2 HIS 12 3.632 6.134 -17.142 116 HE1 HIS 12 HE1 HIS 12 -0.228 7.257 -15.786 117 H GLY 13 H GLY 13 5.566 5.553 -14.207 118 HA2 GLY 13 2HA GLY 13 6.292 3.775 -15.587 119 HA3 GLY 13 3HA GLY 13 6.878 4.952 -16.753 120 H VAL 14 H VAL 14 7.628 5.334 -13.387 121 HA VAL 14 HA VAL 14 10.451 4.882 -14.004 122 HB VAL 14 HB VAL 14 9.672 7.001 -12.868 123 HG11 VAL 14 1HG1 VAL 14 8.568 6.973 -10.931 124 HG12 VAL 14 2HG1 VAL 14 8.343 5.243 -11.197 125 HG13 VAL 14 3HG1 VAL 14 9.694 5.818 -10.219 126 HG21 VAL 14 1HG2 VAL 14 11.895 5.255 -12.150 127 HG22 VAL 14 2HG2 VAL 14 11.886 6.975 -12.542 128 HG23 VAL 14 3HG2 VAL 14 11.507 6.441 -10.904 129 H LYS 15 H LYS 15 8.581 2.656 -13.656 130 HA LYS 15 HA LYS 15 8.651 1.418 -11.196 131 HB2 LYS 15 2HB LYS 15 8.500 -0.725 -12.449 132 HB3 LYS 15 3HB LYS 15 7.367 0.494 -13.016 133 HG2 LYS 15 2HG LYS 15 9.088 1.037 -14.806 134 HG3 LYS 15 3HG LYS 15 9.887 -0.464 -14.332 135 HD2 LYS 15 2HD LYS 15 8.090 -1.780 -15.028 136 HD3 LYS 15 3HD LYS 15 6.966 -0.418 -15.012 137 HE2 LYS 15 2HE LYS 15 8.438 0.556 -16.876 138 HE3 LYS 15 3HE LYS 15 9.111 -1.068 -17.011 139 HZ1 LYS 15 1HZ LYS 15 7.403 -1.096 -18.535 140 HZ2 LYS 15 2HZ LYS 15 6.375 -0.145 -17.586 141 HZ3 LYS 15 3HZ LYS 15 6.648 -1.763 -17.176 142 H LYS 16 H LYS 16 11.211 1.805 -13.524 143 HA LYS 16 HA LYS 16 12.959 -0.162 -12.419 144 HB2 LYS 16 2HB LYS 16 13.707 2.246 -14.083 145 HB3 LYS 16 3HB LYS 16 14.647 0.776 -13.866 146 HG2 LYS 16 2HG LYS 16 12.246 -0.152 -14.841 147 HG3 LYS 16 3HG LYS 16 12.494 1.356 -15.724 148 HD2 LYS 16 2HD LYS 16 14.549 -0.839 -15.477 149 HD3 LYS 16 3HD LYS 16 13.463 -0.637 -16.854 150 HE2 LYS 16 2HE LYS 16 15.353 1.504 -15.899 151 HE3 LYS 16 3HE LYS 16 15.774 0.323 -17.137 152 HZ1 LYS 16 1HZ LYS 16 14.090 2.657 -17.318 153 HZ2 LYS 16 2HZ LYS 16 13.422 1.276 -18.030 154 HZ3 LYS 16 3HZ LYS 16 14.937 1.837 -18.531 155 H TYR 17 H TYR 17 15.366 1.044 -12.061 156 HA TYR 17 HA TYR 17 15.299 1.870 -9.404 157 HB2 TYR 17 2HB TYR 17 17.477 2.573 -11.374 158 HB3 TYR 17 3HB TYR 17 17.632 2.373 -9.632 159 HD1 TYR 17 HD1 TYR 17 18.188 0.837 -12.712 160 HD2 TYR 17 HD2 TYR 17 16.844 -0.035 -8.770 161 HE1 TYR 17 HE1 TYR 17 18.769 -1.530 -13.043 162 HE2 TYR 17 HE2 TYR 17 17.423 -2.404 -9.090 163 HH TYR 17 HH TYR 17 17.673 -3.920 -11.543 164 H GLY 18 H GLY 18 14.875 3.681 -12.326 165 HA2 GLY 18 2HA GLY 18 13.830 5.935 -11.033 166 HA3 GLY 18 3HA GLY 18 15.522 6.257 -11.384
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