NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
4781 | 1fry | 4643 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 1 H ARG 1 -5.869 -10.398 1.281 2 HA ARG 1 HA ARG 1 -4.619 -8.693 0.834 3 2HB ARG 1 2HB ARG 1 -2.678 -9.214 -0.962 4 2HG ARG 1 2HG ARG 1 -2.967 -9.535 1.831 5 2HD ARG 1 2HD ARG 1 -2.124 -12.081 0.460 6 HE ARG 1 HE ARG 1 -0.951 -11.697 3.119 7 1HH1 ARG 1 1HH1 ARG 1 2.313 -11.787 1.890 8 2HH1 ARG 1 2HH1 ARG 1 1.322 -11.844 3.308 9 1HH2 ARG 1 1HH2 ARG 1 1.335 -11.561 -0.202 10 2HH2 ARG 1 2HH2 ARG 1 -0.387 -11.449 -0.345 11 H GLY 2 H GLY 2 -6.835 -8.055 -0.298 12 1HA GLY 2 1HA GLY 2 -6.244 -7.371 -3.119 13 2HA GLY 2 2HA GLY 2 -7.833 -7.849 -2.553 14 H LEU 3 H LEU 3 -7.998 -6.484 -0.069 15 HA LEU 3 HA LEU 3 -9.027 -4.094 -0.713 16 2HB LEU 3 2HB LEU 3 -8.837 -3.486 1.592 17 HG LEU 3 HG LEU 3 -8.903 -6.502 1.700 18 1HD1 LEU 3 1HD1 LEU 3 -10.432 -6.186 3.526 19 2HD1 LEU 3 2HD1 LEU 3 -8.979 -5.197 3.820 20 3HD1 LEU 3 3HD1 LEU 3 -10.478 -4.429 3.247 21 1HD2 LEU 3 1HD2 LEU 3 -10.743 -4.669 0.283 22 2HD2 LEU 3 2HD2 LEU 3 -10.421 -6.402 0.038 23 3HD2 LEU 3 3HD2 LEU 3 -11.507 -5.875 1.346 24 H ARG 4 H ARG 4 -8.346 -1.889 -0.763 25 HA ARG 4 HA ARG 4 -5.572 -1.346 -0.528 26 2HB ARG 4 2HB ARG 4 -5.723 -2.262 -2.867 27 2HG ARG 4 2HG ARG 4 -6.944 -0.024 -4.172 28 2HD ARG 4 2HD ARG 4 -8.273 -2.732 -3.838 29 HE ARG 4 HE ARG 4 -7.886 -1.417 -6.445 30 1HH1 ARG 4 1HH1 ARG 4 -11.281 -0.663 -6.723 31 2HH1 ARG 4 2HH1 ARG 4 -9.761 -0.727 -7.551 32 1HH2 ARG 4 1HH2 ARG 4 -11.411 -1.277 -4.487 33 2HH2 ARG 4 2HH2 ARG 4 -9.988 -1.801 -3.649 34 H ARG 5 H ARG 5 -7.893 -0.440 0.862 35 HA ARG 5 HA ARG 5 -7.520 2.254 0.810 36 2HB ARG 5 2HB ARG 5 -10.246 2.312 -0.107 37 2HG ARG 5 2HG ARG 5 -7.629 3.256 -1.368 38 2HD ARG 5 2HD ARG 5 -9.736 3.044 -2.909 39 HE ARG 5 HE ARG 5 -11.567 4.055 -1.833 40 1HH1 ARG 5 1HH1 ARG 5 -11.948 7.322 -0.669 41 2HH1 ARG 5 2HH1 ARG 5 -12.754 5.829 -1.017 42 1HH2 ARG 5 1HH2 ARG 5 -9.664 7.520 -1.029 43 2HH2 ARG 5 2HH2 ARG 5 -8.764 6.175 -1.647 44 H LEU 6 H LEU 6 -9.667 -0.543 1.333 45 HA LEU 6 HA LEU 6 -11.334 0.660 3.258 46 2HB LEU 6 2HB LEU 6 -11.799 -1.754 3.857 47 HG LEU 6 HG LEU 6 -12.114 -0.751 1.036 48 1HD1 LEU 6 1HD1 LEU 6 -13.611 -3.200 1.733 49 2HD1 LEU 6 2HD1 LEU 6 -12.878 -2.690 0.192 50 3HD1 LEU 6 3HD1 LEU 6 -11.865 -3.419 1.463 51 1HD2 LEU 6 1HD2 LEU 6 -14.360 -1.522 2.852 52 2HD2 LEU 6 2HD2 LEU 6 -13.462 -0.023 3.186 53 3HD2 LEU 6 3HD2 LEU 6 -14.269 -0.245 1.616 54 H GLY 7 H GLY 7 -8.019 -0.412 3.289 55 1HA GLY 7 1HA GLY 7 -7.579 0.560 5.896 56 2HA GLY 7 2HA GLY 7 -7.717 -1.186 5.957 57 H ARG 8 H ARG 8 -6.655 -1.714 3.261 58 HA ARG 8 HA ARG 8 -3.903 -1.481 3.968 59 2HB ARG 8 2HB ARG 8 -3.813 -2.727 1.563 60 2HG ARG 8 2HG ARG 8 -4.107 -3.574 4.331 61 2HD ARG 8 2HD ARG 8 -5.222 -5.497 2.232 62 HE ARG 8 HE ARG 8 -4.566 -6.988 3.903 63 1HH1 ARG 8 1HH1 ARG 8 -4.850 -6.831 7.377 64 2HH1 ARG 8 2HH1 ARG 8 -4.407 -7.820 6.025 65 1HH2 ARG 8 1HH2 ARG 8 -5.605 -4.662 7.031 66 2HH2 ARG 8 2HH2 ARG 8 -5.726 -4.034 5.422 67 H LYS 9 H LYS 9 -4.147 1.022 3.718 68 HA LYS 9 HA LYS 9 -3.223 1.688 1.049 69 2HB LYS 9 2HB LYS 9 -5.719 2.822 2.307 70 2HG LYS 9 2HG LYS 9 -4.117 4.038 0.011 71 2HD LYS 9 2HD LYS 9 -6.497 5.146 1.562 72 2HE LYS 9 2HE LYS 9 -6.306 6.234 -1.045 73 1HZ LYS 9 1HZ LYS 9 -5.801 8.207 0.165 74 2HZ LYS 9 2HZ LYS 9 -6.909 7.357 1.012 75 3HZ LYS 9 3HZ LYS 9 -5.348 7.368 1.491 76 H ILE 10 H ILE 10 -4.026 2.833 4.390 77 HA ILE 10 HA ILE 10 -2.356 5.027 4.410 78 HB ILE 10 HB ILE 10 -3.073 3.186 6.695 79 2HG1 ILE 10 2HG1 ILE 10 -4.982 4.097 5.262 80 1HG2 ILE 10 1HG2 ILE 10 -2.883 5.900 7.494 81 2HG2 ILE 10 2HG2 ILE 10 -1.870 4.521 7.988 82 3HG2 ILE 10 3HG2 ILE 10 -1.406 5.509 6.582 83 1HD1 ILE 10 1HD1 ILE 10 -4.658 4.636 8.232 84 2HD1 ILE 10 2HD1 ILE 10 -6.177 5.015 7.386 85 3HD1 ILE 10 3HD1 ILE 10 -5.578 3.339 7.434 86 H ALA 11 H ALA 11 -1.638 1.675 5.624 87 HA ALA 11 HA ALA 11 1.174 2.354 5.711 88 1HB ALA 11 1HB ALA 11 0.031 1.032 7.505 89 2HB ALA 11 2HB ALA 11 -0.269 -0.259 6.318 90 3HB ALA 11 3HB ALA 11 1.400 0.168 6.766 91 H HIS 12 H HIS 12 1.098 -0.876 5.001 92 HA HIS 12 HA HIS 12 1.922 -1.995 3.286 93 2HB HIS 12 2HB HIS 12 0.432 -1.152 1.085 94 HD1 HIS 12 1HD HIS 12 1.273 -3.586 3.576 95 HD2 HIS 12 2HD HIS 12 -1.946 -3.074 0.935 96 HE1 HIS 12 1HE HIS 12 0.146 -5.867 3.371 97 H GLY 13 H GLY 13 3.961 -1.665 2.564 98 1HA GLY 13 1HA GLY 13 5.412 -0.894 0.906 99 2HA GLY 13 2HA GLY 13 4.401 0.513 0.650 100 H VAL 14 H VAL 14 4.463 0.187 3.964 101 HA VAL 14 HA VAL 14 7.009 1.600 4.260 102 HB VAL 14 HB VAL 14 4.913 3.098 4.021 103 1HG1 VAL 14 1HG1 VAL 14 4.562 2.135 6.880 104 2HG1 VAL 14 2HG1 VAL 14 3.701 3.501 6.131 105 3HG1 VAL 14 3HG1 VAL 14 3.446 1.847 5.524 106 1HG2 VAL 14 1HG2 VAL 14 7.302 3.588 4.996 107 2HG2 VAL 14 2HG2 VAL 14 5.980 4.756 5.232 108 3HG2 VAL 14 3HG2 VAL 14 6.438 3.652 6.551 109 H LYS 15 H LYS 15 4.179 -0.032 5.807 110 HA LYS 15 HA LYS 15 5.568 -0.471 8.243 111 2HB LYS 15 2HB LYS 15 3.512 -2.269 8.252 112 2HG LYS 15 2HG LYS 15 3.357 0.748 8.714 113 2HD LYS 15 2HD LYS 15 1.431 -1.457 9.102 114 2HE LYS 15 2HE LYS 15 2.654 -0.213 11.469 115 1HZ LYS 15 1HZ LYS 15 0.810 1.273 11.272 116 2HZ LYS 15 2HZ LYS 15 -0.246 0.044 11.072 117 3HZ LYS 15 3HZ LYS 15 0.519 0.236 12.500 118 H LYS 16 H LYS 16 5.302 -2.132 5.127 119 HA LYS 16 HA LYS 16 6.820 -4.368 6.273 120 2HB LYS 16 2HB LYS 16 5.339 -5.664 5.244 121 2HG LYS 16 2HG LYS 16 3.540 -4.694 3.759 122 2HD LYS 16 2HD LYS 16 3.214 -2.707 5.773 123 2HE LYS 16 2HE LYS 16 2.284 -5.429 6.469 124 1HZ LYS 16 1HZ LYS 16 0.343 -3.623 5.603 125 2HZ LYS 16 2HZ LYS 16 0.632 -4.156 7.119 126 3HZ LYS 16 3HZ LYS 16 1.401 -2.827 6.562 127 H TYR 17 H TYR 17 6.663 -1.851 3.731 128 HA TYR 17 HA TYR 17 9.160 -2.734 2.581 129 2HB TYR 17 2HB TYR 17 8.580 -0.283 1.497 130 HD1 TYR 17 1HD TYR 17 7.033 -0.220 -0.604 131 HD2 TYR 17 2HD TYR 17 7.938 -3.786 1.578 132 HE1 TYR 17 1HE TYR 17 6.389 -1.626 -2.621 133 HE2 TYR 17 2HE TYR 17 7.289 -5.182 -0.446 134 HH TYR 17 HH TYR 17 7.183 -4.876 -2.879 135 H GLY 18 H GLY 18 8.072 0.517 3.783 136 1HA GLY 18 1HA GLY 18 9.546 1.134 5.833 137 2HA GLY 18 2HA GLY 18 10.834 1.018 4.648 138 HA PRO 19 HA PRO 19 9.612 4.809 2.832 139 2HB PRO 19 2HB PRO 19 10.573 4.460 0.768 140 2HG PRO 19 2HG PRO 19 10.655 2.254 0.103 141 2HD PRO 19 2HD PRO 19 10.584 1.209 2.151 142 H THR 20 H THR 20 7.262 3.523 0.633 143 HA THR 20 HA THR 20 4.998 3.644 2.158 144 HB THR 20 HB THR 20 5.851 6.051 2.567 145 HG1 THR 20 1HG THR 20 3.662 6.016 2.918 146 1HG2 THR 20 1HG2 THR 20 6.217 7.407 0.767 147 2HG2 THR 20 2HG2 THR 20 5.841 6.052 -0.325 148 3HG2 THR 20 3HG2 THR 20 4.542 7.132 0.233 149 H VAL 21 H VAL 21 6.698 4.127 -0.883 150 HA VAL 21 HA VAL 21 4.617 4.236 -2.656 151 HB VAL 21 HB VAL 21 6.173 3.764 -4.242 152 1HG1 VAL 21 1HG1 VAL 21 8.245 4.049 -2.084 153 2HG1 VAL 21 2HG1 VAL 21 8.136 4.845 -3.673 154 3HG1 VAL 21 3HG1 VAL 21 7.068 5.358 -2.347 155 1HG2 VAL 21 1HG2 VAL 21 6.897 1.512 -2.453 156 2HG2 VAL 21 2HG2 VAL 21 6.736 1.572 -4.226 157 3HG2 VAL 21 3HG2 VAL 21 8.221 2.167 -3.446 158 H LEU 22 H LEU 22 4.564 2.014 -4.303 159 HA LEU 22 HA LEU 22 4.074 -0.219 -4.379 160 2HB LEU 22 2HB LEU 22 3.251 -0.223 -1.492 161 HG LEU 22 HG LEU 22 4.607 -2.400 -3.092 162 1HD1 LEU 22 1HD1 LEU 22 2.967 -2.706 -0.580 163 2HD1 LEU 22 2HD1 LEU 22 4.154 -3.825 -1.293 164 3HD1 LEU 22 3HD1 LEU 22 4.704 -2.315 -0.530 165 1HD2 LEU 22 1HD2 LEU 22 2.320 -3.478 -3.136 166 2HD2 LEU 22 2HD2 LEU 22 1.655 -1.885 -2.704 167 3HD2 LEU 22 3HD2 LEU 22 2.552 -2.092 -4.227 168 H ARG 23 H ARG 23 1.831 0.971 -1.804 169 HA ARG 23 HA ARG 23 -0.342 0.387 -3.536 170 2HB ARG 23 2HB ARG 23 -1.655 1.408 -1.499 171 2HG ARG 23 2HG ARG 23 -1.403 -0.640 -0.213 172 2HD ARG 23 2HD ARG 23 -1.835 -2.260 -1.888 173 HE ARG 23 HE ARG 23 -2.930 0.204 -2.347 174 1HH1 ARG 23 1HH1 ARG 23 -4.251 -0.073 -5.566 175 2HH1 ARG 23 2HH1 ARG 23 -4.327 0.782 -4.061 176 1HH2 ARG 23 1HH2 ARG 23 -2.730 -1.804 -5.842 177 2HH2 ARG 23 2HH2 ARG 23 -1.671 -2.241 -4.542 178 H ILE 24 H ILE 24 1.768 2.797 -3.765 179 HA ILE 24 HA ILE 24 -0.296 4.759 -4.454 180 HB ILE 24 HB ILE 24 1.576 6.450 -3.746 181 2HG1 ILE 24 2HG1 ILE 24 3.014 4.312 -3.111 182 1HG2 ILE 24 1HG2 ILE 24 0.137 5.317 -1.399 183 2HG2 ILE 24 2HG2 ILE 24 0.248 6.993 -1.984 184 3HG2 ILE 24 3HG2 ILE 24 -0.840 5.839 -2.792 185 1HD1 ILE 24 1HD1 ILE 24 4.010 6.448 -2.845 186 2HD1 ILE 24 2HD1 ILE 24 2.778 6.974 -1.672 187 3HD1 ILE 24 3HD1 ILE 24 4.010 5.781 -1.194 188 H ILE 25 H ILE 25 3.084 3.558 -4.847 189 HA ILE 25 HA ILE 25 3.020 4.695 -7.555 190 HB ILE 25 HB ILE 25 5.590 3.815 -6.410 191 2HG1 ILE 25 2HG1 ILE 25 4.622 4.763 -4.399 192 1HG2 ILE 25 1HG2 ILE 25 6.312 5.065 -8.090 193 2HG2 ILE 25 2HG2 ILE 25 4.629 5.474 -8.503 194 3HG2 ILE 25 3HG2 ILE 25 5.545 6.504 -7.377 195 1HD1 ILE 25 1HD1 ILE 25 6.317 6.333 -3.911 196 2HD1 ILE 25 2HD1 ILE 25 7.026 5.386 -5.239 197 3HD1 ILE 25 3HD1 ILE 25 6.318 6.986 -5.566 198 H ARG 26 H ARG 26 3.140 1.806 -5.570 199 HA ARG 26 HA ARG 26 3.425 -0.303 -6.021 200 2HB ARG 26 2HB ARG 26 1.751 -1.113 -7.408 201 2HG ARG 26 2HG ARG 26 0.663 1.413 -8.303 202 2HD ARG 26 2HD ARG 26 -0.336 0.370 -5.732 203 HE ARG 26 HE ARG 26 -2.033 1.380 -7.023 204 1HH1 ARG 26 1HH1 ARG 26 -3.426 0.322 -10.043 205 2HH1 ARG 26 2HH1 ARG 26 -3.590 1.399 -8.696 206 1HH2 ARG 26 1HH2 ARG 26 -1.627 -1.139 -10.147 207 2HH2 ARG 26 2HH2 ARG 26 -0.446 -1.154 -8.879 208 H ILE 27 H ILE 27 5.474 1.720 -7.226 209 HA ILE 27 HA ILE 27 6.642 -0.164 -9.155 210 HB ILE 27 HB ILE 27 6.852 2.848 -9.128 211 2HG1 ILE 27 2HG1 ILE 27 4.771 1.240 -10.088 212 1HG2 ILE 27 1HG2 ILE 27 8.385 2.754 -10.803 213 2HG2 ILE 27 2HG2 ILE 27 8.806 1.245 -9.963 214 3HG2 ILE 27 3HG2 ILE 27 7.788 1.196 -11.420 215 1HD1 ILE 27 1HD1 ILE 27 5.319 3.914 -11.342 216 2HD1 ILE 27 2HD1 ILE 27 3.820 3.286 -10.614 217 3HD1 ILE 27 3HD1 ILE 27 5.143 3.857 -9.572 218 H ALA 28 H ALA 28 7.341 2.434 -6.719 219 HA ALA 28 HA ALA 28 8.962 2.640 -5.230 220 1HB ALA 28 1HB ALA 28 9.529 0.760 -4.009 221 2HB ALA 28 2HB ALA 28 8.116 0.134 -4.891 222 3HB ALA 28 3HB ALA 28 9.759 -0.247 -5.459 223 H GLY 29 H GLY 29 9.485 3.121 -8.048 224 1HA GLY 29 1HA GLY 29 11.175 3.156 -9.589 225 2HA GLY 29 2HA GLY 29 12.009 3.849 -8.213 Start of MODEL 2 1 H ARG 1 H ARG 1 -6.825 -6.818 8.345 2 HA ARG 1 HA ARG 1 -6.243 -7.158 6.206 3 2HB ARG 1 2HB ARG 1 -8.319 -8.301 5.063 4 2HG ARG 1 2HG ARG 1 -7.436 -9.114 7.872 5 2HD ARG 1 2HD ARG 1 -8.416 -10.976 5.682 6 HE ARG 1 HE ARG 1 -7.648 -11.259 8.487 7 1HH1 ARG 1 1HH1 ARG 1 -8.579 -14.620 8.618 8 2HH1 ARG 1 2HH1 ARG 1 -7.715 -13.346 9.415 9 1HH2 ARG 1 1HH2 ARG 1 -9.666 -14.205 6.609 10 2HH2 ARG 1 2HH2 ARG 1 -9.613 -12.623 5.907 11 H GLY 2 H GLY 2 -9.610 -5.757 6.023 12 1HA GLY 2 1HA GLY 2 -10.503 -4.189 4.686 13 2HA GLY 2 2HA GLY 2 -8.916 -3.449 4.620 14 H LEU 3 H LEU 3 -9.666 -2.908 2.344 15 HA LEU 3 HA LEU 3 -8.996 -5.155 0.579 16 2HB LEU 3 2HB LEU 3 -11.414 -4.717 0.574 17 HG LEU 3 HG LEU 3 -10.635 -1.999 -0.517 18 1HD1 LEU 3 1HD1 LEU 3 -12.819 -1.674 -1.311 19 2HD1 LEU 3 2HD1 LEU 3 -12.365 -3.299 -1.880 20 3HD1 LEU 3 3HD1 LEU 3 -13.437 -3.116 -0.471 21 1HD2 LEU 3 1HD2 LEU 3 -11.605 -2.926 2.051 22 2HD2 LEU 3 2HD2 LEU 3 -11.027 -1.316 1.559 23 3HD2 LEU 3 3HD2 LEU 3 -12.733 -1.762 1.315 24 H ARG 4 H ARG 4 -9.172 -1.570 1.029 25 HA ARG 4 HA ARG 4 -6.561 -1.241 0.194 26 2HB ARG 4 2HB ARG 4 -7.547 0.247 -1.927 27 2HG ARG 4 2HG ARG 4 -6.007 -2.190 -1.545 28 2HD ARG 4 2HD ARG 4 -8.252 -2.432 -3.395 29 HE ARG 4 HE ARG 4 -5.988 -3.237 -4.966 30 1HH1 ARG 4 1HH1 ARG 4 -6.046 -0.502 -7.133 31 2HH1 ARG 4 2HH1 ARG 4 -5.451 -2.110 -6.880 32 1HH2 ARG 4 1HH2 ARG 4 -7.385 0.507 -5.528 33 2HH2 ARG 4 2HH2 ARG 4 -7.790 -0.349 -4.077 34 H ARG 5 H ARG 5 -8.337 -0.415 2.323 35 HA ARG 5 HA ARG 5 -7.702 2.267 2.426 36 2HB ARG 5 2HB ARG 5 -10.466 2.704 2.638 37 2HG ARG 5 2HG ARG 5 -9.358 3.238 -0.057 38 2HD ARG 5 2HD ARG 5 -9.618 5.611 1.478 39 HE ARG 5 HE ARG 5 -10.860 4.446 -0.806 40 1HH1 ARG 5 1HH1 ARG 5 -13.237 6.945 -1.345 41 2HH1 ARG 5 2HH1 ARG 5 -12.393 5.602 -2.043 42 1HH2 ARG 5 1HH2 ARG 5 -12.808 7.569 0.850 43 2HH2 ARG 5 2HH2 ARG 5 -11.644 6.692 1.789 44 H LEU 6 H LEU 6 -9.815 -0.446 3.428 45 HA LEU 6 HA LEU 6 -10.457 0.582 5.972 46 2HB LEU 6 2HB LEU 6 -11.001 -1.844 6.431 47 HG LEU 6 HG LEU 6 -12.204 -0.389 4.085 48 1HD1 LEU 6 1HD1 LEU 6 -12.322 -3.221 4.490 49 2HD1 LEU 6 2HD1 LEU 6 -13.926 -2.521 4.817 50 3HD1 LEU 6 3HD1 LEU 6 -13.127 -2.225 3.255 51 1HD2 LEU 6 1HD2 LEU 6 -13.421 0.566 5.672 52 2HD2 LEU 6 2HD2 LEU 6 -14.074 -1.028 6.124 53 3HD2 LEU 6 3HD2 LEU 6 -12.605 -0.411 6.917 54 H GLY 7 H GLY 7 -7.669 -1.155 4.613 55 1HA GLY 7 1HA GLY 7 -5.975 -0.435 6.725 56 2HA GLY 7 2HA GLY 7 -6.536 -2.070 7.016 57 H ARG 8 H ARG 8 -6.061 -0.542 3.787 58 HA ARG 8 HA ARG 8 -3.633 -2.046 3.467 59 2HB ARG 8 2HB ARG 8 -4.683 -2.774 1.110 60 2HG ARG 8 2HG ARG 8 -5.176 -4.081 3.815 61 2HD ARG 8 2HD ARG 8 -5.747 -5.169 1.019 62 HE ARG 8 HE ARG 8 -4.914 -6.605 3.392 63 1HH1 ARG 8 1HH1 ARG 8 -6.067 -9.703 2.274 64 2HH1 ARG 8 2HH1 ARG 8 -5.060 -8.886 3.422 65 1HH2 ARG 8 1HH2 ARG 8 -7.266 -8.485 0.706 66 2HH2 ARG 8 2HH2 ARG 8 -7.155 -6.756 0.682 67 H LYS 9 H LYS 9 -4.561 0.834 3.613 68 HA LYS 9 HA LYS 9 -3.454 1.659 1.031 69 2HB LYS 9 2HB LYS 9 -5.836 2.974 2.375 70 2HG LYS 9 2HG LYS 9 -3.948 4.046 0.606 71 2HD LYS 9 2HD LYS 9 -6.451 3.632 -1.035 72 2HE LYS 9 2HE LYS 9 -3.531 3.938 -1.866 73 1HZ LYS 9 1HZ LYS 9 -6.118 4.033 -3.192 74 2HZ LYS 9 2HZ LYS 9 -4.896 4.939 -3.782 75 3HZ LYS 9 3HZ LYS 9 -4.734 3.319 -3.680 76 H ILE 10 H ILE 10 -4.322 2.584 4.425 77 HA ILE 10 HA ILE 10 -2.715 4.828 4.568 78 HB ILE 10 HB ILE 10 -3.430 2.876 6.759 79 2HG1 ILE 10 2HG1 ILE 10 -5.338 3.785 5.325 80 1HG2 ILE 10 1HG2 ILE 10 -2.096 5.518 6.728 81 2HG2 ILE 10 2HG2 ILE 10 -3.378 5.302 7.944 82 3HG2 ILE 10 3HG2 ILE 10 -1.992 4.185 7.902 83 1HD1 ILE 10 1HD1 ILE 10 -5.082 3.385 8.115 84 2HD1 ILE 10 2HD1 ILE 10 -5.967 4.917 7.937 85 3HD1 ILE 10 3HD1 ILE 10 -6.593 3.437 7.178 86 H ALA 11 H ALA 11 -1.942 1.456 5.699 87 HA ALA 11 HA ALA 11 0.851 2.193 5.833 88 1HB ALA 11 1HB ALA 11 -0.337 0.803 7.574 89 2HB ALA 11 2HB ALA 11 -0.495 -0.485 6.355 90 3HB ALA 11 3HB ALA 11 1.119 0.038 6.894 91 H HIS 12 H HIS 12 0.874 -1.018 5.072 92 HA HIS 12 HA HIS 12 1.743 -2.085 3.347 93 2HB HIS 12 2HB HIS 12 0.244 -1.257 1.148 94 HD1 HIS 12 1HD HIS 12 1.153 -3.705 3.598 95 HD2 HIS 12 2HD HIS 12 -2.079 -3.248 0.963 96 HE1 HIS 12 1HE HIS 12 0.098 -6.015 3.353 97 H GLY 13 H GLY 13 3.774 -1.688 2.637 98 1HA GLY 13 1HA GLY 13 5.200 -0.847 0.985 99 2HA GLY 13 2HA GLY 13 4.160 0.548 0.774 100 H VAL 14 H VAL 14 4.183 0.210 4.059 101 HA VAL 14 HA VAL 14 6.717 1.646 4.392 102 HB VAL 14 HB VAL 14 4.454 3.012 4.243 103 1HG1 VAL 14 1HG1 VAL 14 3.242 1.777 5.948 104 2HG1 VAL 14 2HG1 VAL 14 4.524 2.101 7.140 105 3HG1 VAL 14 3HG1 VAL 14 3.534 3.439 6.512 106 1HG2 VAL 14 1HG2 VAL 14 6.741 3.422 6.185 107 2HG2 VAL 14 2HG2 VAL 14 6.515 4.133 4.567 108 3HG2 VAL 14 3HG2 VAL 14 5.475 4.647 5.917 109 H LYS 15 H LYS 15 3.943 -0.112 5.906 110 HA LYS 15 HA LYS 15 5.325 -0.567 8.332 111 2HB LYS 15 2HB LYS 15 2.776 -1.509 7.073 112 2HG LYS 15 2HG LYS 15 3.948 -2.642 9.656 113 2HD LYS 15 2HD LYS 15 1.408 -3.311 8.093 114 2HE LYS 15 2HE LYS 15 2.857 -5.021 9.695 115 1HZ LYS 15 1HZ LYS 15 1.006 -3.498 11.379 116 2HZ LYS 15 2HZ LYS 15 1.458 -5.022 11.750 117 3HZ LYS 15 3HZ LYS 15 2.577 -3.836 11.664 118 H LYS 16 H LYS 16 5.218 -2.137 5.161 119 HA LYS 16 HA LYS 16 6.869 -4.299 6.270 120 2HB LYS 16 2HB LYS 16 5.492 -5.695 5.229 121 2HG LYS 16 2HG LYS 16 3.592 -4.810 3.785 122 2HD LYS 16 2HD LYS 16 3.478 -3.019 6.147 123 2HE LYS 16 2HE LYS 16 1.843 -5.089 4.764 124 1HZ LYS 16 1HZ LYS 16 2.191 -5.101 7.590 125 2HZ LYS 16 2HZ LYS 16 0.632 -4.915 7.142 126 3HZ LYS 16 3HZ LYS 16 1.481 -6.210 6.625 127 H TYR 17 H TYR 17 6.520 -1.744 3.796 128 HA TYR 17 HA TYR 17 9.060 -2.446 2.601 129 2HB TYR 17 2HB TYR 17 8.283 -0.033 1.544 130 HD1 TYR 17 1HD TYR 17 6.866 -3.477 1.795 131 HD2 TYR 17 2HD TYR 17 7.802 -0.177 -0.762 132 HE1 TYR 17 1HE TYR 17 6.337 -4.899 -0.245 133 HE2 TYR 17 2HE TYR 17 7.269 -1.610 -2.794 134 HH TYR 17 HH TYR 17 7.122 -3.840 -3.432 135 H GLY 18 H GLY 18 7.795 0.772 3.685 136 1HA GLY 18 1HA GLY 18 8.844 1.855 5.595 137 2HA GLY 18 2HA GLY 18 10.378 1.191 5.067 138 HA PRO 19 HA PRO 19 10.704 4.293 1.954 139 2HB PRO 19 2HB PRO 19 11.790 3.083 0.323 140 2HG PRO 19 2HG PRO 19 11.253 0.840 0.273 141 2HD PRO 19 2HD PRO 19 10.555 0.538 2.442 142 H THR 20 H THR 20 7.675 2.698 1.776 143 HA THR 20 HA THR 20 6.133 4.037 0.124 144 HB THR 20 HB THR 20 5.853 2.980 2.885 145 HG1 THR 20 1HG THR 20 3.813 2.316 1.572 146 1HG2 THR 20 1HG2 THR 20 4.572 4.860 3.525 147 2HG2 THR 20 2HG2 THR 20 4.100 5.227 1.847 148 3HG2 THR 20 3HG2 THR 20 3.339 3.868 2.709 149 H VAL 21 H VAL 21 7.263 5.498 3.239 150 HA VAL 21 HA VAL 21 5.985 7.910 2.981 151 HB VAL 21 HB VAL 21 7.322 8.605 4.692 152 1HG1 VAL 21 1HG1 VAL 21 8.195 5.751 4.983 153 2HG1 VAL 21 2HG1 VAL 21 7.476 6.856 6.181 154 3HG1 VAL 21 3HG1 VAL 21 6.453 6.114 4.927 155 1HG2 VAL 21 1HG2 VAL 21 9.455 8.971 4.047 156 2HG2 VAL 21 2HG2 VAL 21 9.764 7.390 4.805 157 3HG2 VAL 21 3HG2 VAL 21 9.515 7.501 3.047 158 H LEU 22 H LEU 22 7.758 10.010 2.845 159 HA LEU 22 HA LEU 22 9.284 11.068 1.514 160 2HB LEU 22 2HB LEU 22 8.851 9.113 -0.720 161 HG LEU 22 HG LEU 22 11.140 9.559 -1.299 162 1HD1 LEU 22 1HD1 LEU 22 9.600 12.121 -0.815 163 2HD1 LEU 22 2HD1 LEU 22 11.020 11.963 -1.876 164 3HD1 LEU 22 3HD1 LEU 22 9.524 11.075 -2.254 165 1HD2 LEU 22 1HD2 LEU 22 11.821 11.762 0.393 166 2HD2 LEU 22 2HD2 LEU 22 11.385 10.368 1.410 167 3HD2 LEU 22 3HD2 LEU 22 12.660 10.207 0.178 168 H ARG 23 H ARG 23 6.986 9.574 -0.857 169 HA ARG 23 HA ARG 23 6.227 12.187 -1.661 170 2HB ARG 23 2HB ARG 23 6.455 10.158 -3.203 171 2HG ARG 23 2HG ARG 23 3.671 9.448 -2.197 172 2HD ARG 23 2HD ARG 23 4.775 7.184 -3.261 173 HE ARG 23 HE ARG 23 2.735 7.816 -4.279 174 1HH1 ARG 23 1HH1 ARG 23 2.210 10.117 -6.849 175 2HH1 ARG 23 2HH1 ARG 23 1.518 8.822 -5.928 176 1HH2 ARG 23 1HH2 ARG 23 4.375 10.826 -6.406 177 2HH2 ARG 23 2HH2 ARG 23 5.296 10.063 -5.155 178 H ILE 24 H ILE 24 5.505 10.659 1.086 179 HA ILE 24 HA ILE 24 2.746 11.635 1.085 180 HB ILE 24 HB ILE 24 2.340 9.660 2.711 181 2HG1 ILE 24 2HG1 ILE 24 4.926 9.097 2.418 182 1HG2 ILE 24 1HG2 ILE 24 1.127 8.725 1.062 183 2HG2 ILE 24 2HG2 ILE 24 1.660 10.149 0.135 184 3HG2 ILE 24 3HG2 ILE 24 2.517 8.600 -0.043 185 1HD1 ILE 24 1HD1 ILE 24 2.725 6.981 2.498 186 2HD1 ILE 24 2HD1 ILE 24 4.397 6.772 3.070 187 3HD1 ILE 24 3HD1 ILE 24 3.309 7.908 3.900 188 H ILE 25 H ILE 25 5.699 10.690 2.925 189 HA ILE 25 HA ILE 25 4.838 12.574 5.005 190 HB ILE 25 HB ILE 25 7.047 10.697 5.553 191 2HG1 ILE 25 2HG1 ILE 25 5.644 9.203 4.264 192 1HG2 ILE 25 1HG2 ILE 25 5.194 12.323 6.980 193 2HG2 ILE 25 2HG2 ILE 25 4.929 10.629 7.458 194 3HG2 ILE 25 3HG2 ILE 25 6.548 11.353 7.609 195 1HD1 ILE 25 1HD1 ILE 25 4.866 8.645 7.137 196 2HD1 ILE 25 2HD1 ILE 25 5.379 7.502 5.872 197 3HD1 ILE 25 3HD1 ILE 25 6.575 8.571 6.644 198 H ARG 26 H ARG 26 7.173 11.831 2.492 199 HA ARG 26 HA ARG 26 9.045 12.751 1.877 200 2HB ARG 26 2HB ARG 26 8.746 14.951 1.193 201 2HG ARG 26 2HG ARG 26 6.080 15.371 2.210 202 2HD ARG 26 2HD ARG 26 5.814 14.240 -0.316 203 HE ARG 26 HE ARG 26 6.664 17.040 -0.297 204 1HH1 ARG 26 1HH1 ARG 26 3.396 18.232 -0.004 205 2HH1 ARG 26 2HH1 ARG 26 5.043 18.650 -0.351 206 1HH2 ARG 26 1HH2 ARG 26 2.841 16.040 0.514 207 2HH2 ARG 26 2HH2 ARG 26 4.070 14.820 0.556 208 H ILE 27 H ILE 27 8.678 12.110 4.909 209 HA ILE 27 HA ILE 27 10.937 13.751 5.830 210 HB ILE 27 HB ILE 27 8.649 12.638 7.460 211 2HG1 ILE 27 2HG1 ILE 27 8.714 14.938 5.859 212 1HG2 ILE 27 1HG2 ILE 27 10.074 14.557 8.929 213 2HG2 ILE 27 2HG2 ILE 27 10.020 12.799 9.200 214 3HG2 ILE 27 3HG2 ILE 27 11.307 13.506 8.196 215 1HD1 ILE 27 1HD1 ILE 27 6.828 13.478 7.114 216 2HD1 ILE 27 2HD1 ILE 27 6.932 14.821 8.277 217 3HD1 ILE 27 3HD1 ILE 27 6.520 15.148 6.576 218 H ALA 28 H ALA 28 9.217 10.576 6.166 219 HA ALA 28 HA ALA 28 9.989 8.520 6.433 220 1HB ALA 28 1HB ALA 28 11.681 9.679 4.582 221 2HB ALA 28 2HB ALA 28 12.821 9.061 5.801 222 3HB ALA 28 3HB ALA 28 11.667 7.954 5.022 223 H GLY 29 H GLY 29 9.914 10.383 8.659 224 1HA GLY 29 1HA GLY 29 11.989 10.669 10.312 225 2HA GLY 29 2HA GLY 29 10.404 10.169 10.868 Start of MODEL 3 1 H ARG 1 H ARG 1 -7.383 3.864 -0.390 2 HA ARG 1 HA ARG 1 -6.206 2.904 -2.696 3 2HB ARG 1 2HB ARG 1 -9.031 1.933 -2.775 4 2HG ARG 1 2HG ARG 1 -7.704 -0.078 -3.801 5 2HD ARG 1 2HD ARG 1 -7.295 1.226 -5.944 6 HE ARG 1 HE ARG 1 -9.828 1.050 -4.538 7 1HH1 ARG 1 1HH1 ARG 1 -11.758 1.719 -7.367 8 2HH1 ARG 1 2HH1 ARG 1 -11.768 1.119 -5.741 9 1HH2 ARG 1 1HH2 ARG 1 -9.774 2.451 -8.321 10 2HH2 ARG 1 2HH2 ARG 1 -8.302 2.400 -7.408 11 H GLY 2 H GLY 2 -6.990 5.403 -1.446 12 1HA GLY 2 1HA GLY 2 -7.851 6.957 -3.451 13 2HA GLY 2 2HA GLY 2 -9.366 6.352 -2.811 14 H LEU 3 H LEU 3 -8.594 6.120 -0.017 15 HA LEU 3 HA LEU 3 -7.877 8.866 0.673 16 2HB LEU 3 2HB LEU 3 -9.811 8.519 2.458 17 HG LEU 3 HG LEU 3 -10.241 9.470 -0.383 18 1HD1 LEU 3 1HD1 LEU 3 -12.426 9.577 -0.040 19 2HD1 LEU 3 2HD1 LEU 3 -12.226 8.845 1.571 20 3HD1 LEU 3 3HD1 LEU 3 -12.155 10.614 1.382 21 1HD2 LEU 3 1HD2 LEU 3 -10.179 11.261 2.011 22 2HD2 LEU 3 2HD2 LEU 3 -8.645 10.615 1.382 23 3HD2 LEU 3 3HD2 LEU 3 -9.705 11.580 0.325 24 H ARG 4 H ARG 4 -9.307 6.504 2.906 25 HA ARG 4 HA ARG 4 -7.088 5.094 3.577 26 2HB ARG 4 2HB ARG 4 -5.825 6.949 4.325 27 2HG ARG 4 2HG ARG 4 -7.586 8.358 6.120 28 2HD ARG 4 2HD ARG 4 -7.032 9.655 3.531 29 HE ARG 4 HE ARG 4 -5.587 10.589 5.849 30 1HH1 ARG 4 1HH1 ARG 4 -8.066 12.810 6.901 31 2HH1 ARG 4 2HH1 ARG 4 -6.401 12.351 7.053 32 1HH2 ARG 4 1HH2 ARG 4 -9.467 11.631 5.474 33 2HH2 ARG 4 2HH2 ARG 4 -8.849 10.295 4.561 34 H ARG 5 H ARG 5 -8.088 3.380 4.584 35 HA ARG 5 HA ARG 5 -9.321 3.434 6.936 36 2HB ARG 5 2HB ARG 5 -11.820 3.044 5.746 37 2HG ARG 5 2HG ARG 5 -11.837 5.741 6.489 38 2HD ARG 5 2HD ARG 5 -12.474 3.122 7.711 39 HE ARG 5 HE ARG 5 -11.489 3.725 9.759 40 1HH1 ARG 5 1HH1 ARG 5 -11.891 6.620 11.665 41 2HH1 ARG 5 2HH1 ARG 5 -11.263 5.006 11.639 42 1HH2 ARG 5 1HH2 ARG 5 -12.960 7.481 9.795 43 2HH2 ARG 5 2HH2 ARG 5 -13.131 6.511 8.371 44 H LEU 6 H LEU 6 -9.104 2.173 3.648 45 HA LEU 6 HA LEU 6 -10.316 -0.324 4.098 46 2HB LEU 6 2HB LEU 6 -8.985 -0.961 2.048 47 HG LEU 6 HG LEU 6 -10.832 1.410 2.060 48 1HD1 LEU 6 1HD1 LEU 6 -9.470 0.284 -0.403 49 2HD1 LEU 6 2HD1 LEU 6 -10.800 1.467 -0.388 50 3HD1 LEU 6 3HD1 LEU 6 -9.217 1.900 0.297 51 1HD2 LEU 6 1HD2 LEU 6 -11.221 -1.165 0.565 52 2HD2 LEU 6 2HD2 LEU 6 -11.492 -1.096 2.321 53 3HD2 LEU 6 3HD2 LEU 6 -12.428 -0.042 1.234 54 H GLY 7 H GLY 7 -7.360 1.091 5.210 55 1HA GLY 7 1HA GLY 7 -5.960 0.165 6.774 56 2HA GLY 7 2HA GLY 7 -6.624 -1.426 6.461 57 H ARG 8 H ARG 8 -6.344 -1.328 3.522 58 HA ARG 8 HA ARG 8 -3.533 -1.912 3.476 59 2HB ARG 8 2HB ARG 8 -5.114 -3.561 2.515 60 2HG ARG 8 2HG ARG 8 -5.742 -1.963 0.107 61 2HD ARG 8 2HD ARG 8 -8.093 -2.905 1.362 62 HE ARG 8 HE ARG 8 -6.686 -4.681 -0.524 63 1HH1 ARG 8 1HH1 ARG 8 -8.545 -3.496 -3.229 64 2HH1 ARG 8 2HH1 ARG 8 -7.442 -4.714 -2.680 65 1HH2 ARG 8 1HH2 ARG 8 -9.255 -1.833 -1.775 66 2HH2 ARG 8 2HH2 ARG 8 -8.681 -1.807 -0.140 67 H LYS 9 H LYS 9 -4.538 0.917 3.601 68 HA LYS 9 HA LYS 9 -3.321 1.842 1.097 69 2HB LYS 9 2HB LYS 9 -5.783 2.967 2.461 70 2HG LYS 9 2HG LYS 9 -4.168 4.720 1.557 71 2HD LYS 9 2HD LYS 9 -4.807 4.378 -1.225 72 2HE LYS 9 2HE LYS 9 -2.100 3.946 0.108 73 1HZ LYS 9 1HZ LYS 9 -3.066 4.549 -2.517 74 2HZ LYS 9 2HZ LYS 9 -1.824 5.489 -2.029 75 3HZ LYS 9 3HZ LYS 9 -1.656 3.865 -2.056 76 H ILE 10 H ILE 10 -4.223 2.629 4.517 77 HA ILE 10 HA ILE 10 -2.583 4.838 4.783 78 HB ILE 10 HB ILE 10 -3.358 2.800 6.875 79 2HG1 ILE 10 2HG1 ILE 10 -5.230 3.805 5.455 80 1HG2 ILE 10 1HG2 ILE 10 -2.090 4.023 8.232 81 2HG2 ILE 10 2HG2 ILE 10 -1.821 5.266 6.988 82 3HG2 ILE 10 3HG2 ILE 10 -3.272 5.336 8.018 83 1HD1 ILE 10 1HD1 ILE 10 -4.945 3.798 8.430 84 2HD1 ILE 10 2HD1 ILE 10 -6.328 4.710 7.781 85 3HD1 ILE 10 3HD1 ILE 10 -6.145 2.982 7.401 86 H ALA 11 H ALA 11 -1.878 1.403 5.758 87 HA ALA 11 HA ALA 11 0.925 2.091 5.972 88 1HB ALA 11 1HB ALA 11 1.125 -0.208 6.834 89 2HB ALA 11 2HB ALA 11 -0.189 0.663 7.660 90 3HB ALA 11 3HB ALA 11 -0.569 -0.530 6.395 91 H HIS 12 H HIS 12 0.910 -1.079 5.051 92 HA HIS 12 HA HIS 12 1.797 -2.071 3.289 93 2HB HIS 12 2HB HIS 12 0.331 -1.122 1.114 94 HD1 HIS 12 1HD HIS 12 1.188 -3.692 3.457 95 HD2 HIS 12 2HD HIS 12 -2.005 -3.080 0.804 96 HE1 HIS 12 1HE HIS 12 0.115 -5.978 3.089 97 H GLY 13 H GLY 13 3.844 -1.647 2.641 98 1HA GLY 13 1HA GLY 13 5.299 -0.745 1.044 99 2HA GLY 13 2HA GLY 13 4.271 0.664 0.882 100 H VAL 14 H VAL 14 4.261 0.148 4.153 101 HA VAL 14 HA VAL 14 6.798 1.546 4.592 102 HB VAL 14 HB VAL 14 4.607 2.984 4.439 103 1HG1 VAL 14 1HG1 VAL 14 4.461 1.878 7.264 104 2HG1 VAL 14 2HG1 VAL 14 3.565 3.300 6.678 105 3HG1 VAL 14 3HG1 VAL 14 3.246 1.696 5.975 106 1HG2 VAL 14 1HG2 VAL 14 5.583 4.593 5.980 107 2HG2 VAL 14 2HG2 VAL 14 6.556 3.316 6.744 108 3HG2 VAL 14 3HG2 VAL 14 6.871 3.784 5.058 109 H LYS 15 H LYS 15 3.967 -0.234 5.964 110 HA LYS 15 HA LYS 15 5.278 -0.802 8.407 111 2HB LYS 15 2HB LYS 15 2.760 -1.667 7.038 112 2HG LYS 15 2HG LYS 15 3.864 -3.735 8.072 113 2HD LYS 15 2HD LYS 15 3.588 -1.959 10.525 114 2HE LYS 15 2HE LYS 15 2.947 -4.805 10.303 115 1HZ LYS 15 1HZ LYS 15 4.375 -5.568 11.990 116 2HZ LYS 15 2HZ LYS 15 5.341 -4.914 10.847 117 3HZ LYS 15 3HZ LYS 15 5.043 -4.097 12.231 118 H LYS 16 H LYS 16 5.227 -2.259 5.176 119 HA LYS 16 HA LYS 16 6.854 -4.459 6.239 120 2HB LYS 16 2HB LYS 16 5.477 -5.814 5.144 121 2HG LYS 16 2HG LYS 16 3.622 -4.876 3.673 122 2HD LYS 16 2HD LYS 16 3.485 -3.150 6.090 123 2HE LYS 16 2HE LYS 16 1.828 -5.124 4.592 124 1HZ LYS 16 1HZ LYS 16 0.463 -5.427 6.602 125 2HZ LYS 16 2HZ LYS 16 1.883 -6.231 6.658 126 3HZ LYS 16 3HZ LYS 16 1.690 -4.852 7.511 127 H TYR 17 H TYR 17 6.547 -1.826 3.843 128 HA TYR 17 HA TYR 17 9.123 -2.494 2.692 129 2HB TYR 17 2HB TYR 17 8.334 -0.091 1.627 130 HD1 TYR 17 1HD TYR 17 8.100 -3.634 1.624 131 HD2 TYR 17 2HD TYR 17 6.792 -0.157 -0.498 132 HE1 TYR 17 1HE TYR 17 7.648 -5.052 -0.436 133 HE2 TYR 17 2HE TYR 17 6.345 -1.588 -2.552 134 HH TYR 17 HH TYR 17 5.767 -4.107 -2.898 135 H GLY 18 H GLY 18 7.762 0.685 3.777 136 1HA GLY 18 1HA GLY 18 8.853 1.633 5.814 137 2HA GLY 18 2HA GLY 18 10.377 1.221 5.051 138 HA PRO 19 HA PRO 19 10.080 4.694 2.401 139 2HB PRO 19 2HB PRO 19 11.466 3.912 0.738 140 2HG PRO 19 2HG PRO 19 11.455 1.621 0.471 141 2HD PRO 19 2HD PRO 19 10.768 0.969 2.566 142 H THR 20 H THR 20 8.214 3.224 -0.118 143 HA THR 20 HA THR 20 6.336 4.081 -1.049 144 HB THR 20 HB THR 20 5.707 2.209 0.549 145 HG1 THR 20 1HG THR 20 3.980 3.007 -0.682 146 1HG2 THR 20 1HG2 THR 20 4.595 2.770 2.645 147 2HG2 THR 20 2HG2 THR 20 6.194 3.551 2.687 148 3HG2 THR 20 3HG2 THR 20 4.741 4.513 2.315 149 H VAL 21 H VAL 21 6.402 5.390 2.339 150 HA VAL 21 HA VAL 21 4.851 7.593 1.859 151 HB VAL 21 HB VAL 21 5.530 8.310 3.914 152 1HG1 VAL 21 1HG1 VAL 21 5.032 5.734 3.784 153 2HG1 VAL 21 2HG1 VAL 21 6.745 5.581 4.246 154 3HG1 VAL 21 3HG1 VAL 21 5.615 6.460 5.301 155 1HG2 VAL 21 1HG2 VAL 21 8.245 7.707 2.912 156 2HG2 VAL 21 2HG2 VAL 21 7.664 9.051 3.923 157 3HG2 VAL 21 3HG2 VAL 21 8.015 7.469 4.661 158 H LEU 22 H LEU 22 6.207 9.943 2.362 159 HA LEU 22 HA LEU 22 7.831 11.347 1.583 160 2HB LEU 22 2HB LEU 22 8.346 9.596 -0.800 161 HG LEU 22 HG LEU 22 9.510 11.992 0.100 162 1HD1 LEU 22 1HD1 LEU 22 11.833 10.232 0.193 163 2HD1 LEU 22 2HD1 LEU 22 11.377 11.593 1.248 164 3HD1 LEU 22 3HD1 LEU 22 10.719 9.970 1.558 165 1HD2 LEU 22 1HD2 LEU 22 10.967 10.169 -1.774 166 2HD2 LEU 22 2HD2 LEU 22 9.343 10.753 -2.214 167 3HD2 LEU 22 3HD2 LEU 22 10.650 11.917 -1.889 168 H ARG 23 H ARG 23 6.591 9.828 -1.457 169 HA ARG 23 HA ARG 23 5.603 12.367 -2.241 170 2HB ARG 23 2HB ARG 23 6.554 10.944 -3.962 171 2HG ARG 23 2HG ARG 23 5.073 8.862 -2.537 172 2HD ARG 23 2HD ARG 23 3.718 9.395 -4.816 173 HE ARG 23 HE ARG 23 5.266 8.991 -6.552 174 1HH1 ARG 23 1HH1 ARG 23 6.963 6.043 -7.335 175 2HH1 ARG 23 2HH1 ARG 23 6.525 7.626 -7.885 176 1HH2 ARG 23 1HH2 ARG 23 6.272 5.309 -5.244 177 2HH2 ARG 23 2HH2 ARG 23 5.319 6.344 -4.234 178 H ILE 24 H ILE 24 4.450 10.408 0.043 179 HA ILE 24 HA ILE 24 1.664 10.901 -0.720 180 HB ILE 24 HB ILE 24 1.258 8.709 0.644 181 2HG1 ILE 24 2HG1 ILE 24 3.897 8.631 0.959 182 1HG2 ILE 24 1HG2 ILE 24 1.781 9.228 -2.211 183 2HG2 ILE 24 2HG2 ILE 24 1.845 7.516 -1.733 184 3HG2 ILE 24 3HG2 ILE 24 0.382 8.477 -1.410 185 1HD1 ILE 24 1HD1 ILE 24 1.867 6.433 0.565 186 2HD1 ILE 24 2HD1 ILE 24 3.577 5.993 0.801 187 3HD1 ILE 24 3HD1 ILE 24 2.717 6.932 2.047 188 H ILE 25 H ILE 25 4.097 10.266 1.867 189 HA ILE 25 HA ILE 25 2.341 11.758 3.689 190 HB ILE 25 HB ILE 25 4.584 10.194 4.790 191 2HG1 ILE 25 2HG1 ILE 25 3.928 8.650 3.045 192 1HG2 ILE 25 1HG2 ILE 25 3.378 10.500 6.623 193 2HG2 ILE 25 2HG2 ILE 25 2.152 11.365 5.666 194 3HG2 ILE 25 3HG2 ILE 25 2.017 9.606 5.907 195 1HD1 ILE 25 1HD1 ILE 25 2.473 7.704 5.536 196 2HD1 ILE 25 2HD1 ILE 25 3.453 6.754 4.394 197 3HD1 ILE 25 3HD1 ILE 25 4.244 7.884 5.520 198 H ARG 26 H ARG 26 5.388 11.659 1.959 199 HA ARG 26 HA ARG 26 7.166 12.912 1.994 200 2HB ARG 26 2HB ARG 26 6.687 15.099 1.384 201 2HG ARG 26 2HG ARG 26 3.811 15.005 1.617 202 2HD ARG 26 2HD ARG 26 4.967 14.026 -0.914 203 HE ARG 26 HE ARG 26 2.960 15.877 -0.071 204 1HH1 ARG 26 1HH1 ARG 26 2.431 17.365 -3.182 205 2HH1 ARG 26 2HH1 ARG 26 1.789 17.114 -1.593 206 1HH2 ARG 26 1HH2 ARG 26 4.481 16.444 -3.765 207 2HH2 ARG 26 2HH2 ARG 26 5.369 15.506 -2.611 208 H ILE 27 H ILE 27 6.076 11.881 4.728 209 HA ILE 27 HA ILE 27 7.646 13.729 6.387 210 HB ILE 27 HB ILE 27 5.226 12.106 7.179 211 2HG1 ILE 27 2HG1 ILE 27 5.337 14.559 5.832 212 1HG2 ILE 27 1HG2 ILE 27 5.526 12.727 9.351 213 2HG2 ILE 27 2HG2 ILE 27 7.228 12.623 8.842 214 3HG2 ILE 27 3HG2 ILE 27 6.420 14.207 8.929 215 1HD1 ILE 27 1HD1 ILE 27 3.461 12.699 6.363 216 2HD1 ILE 27 2HD1 ILE 27 2.991 13.902 7.589 217 3HD1 ILE 27 3HD1 ILE 27 3.029 14.354 5.868 218 H ALA 28 H ALA 28 6.492 10.310 5.998 219 HA ALA 28 HA ALA 28 7.505 8.380 6.369 220 1HB ALA 28 1HB ALA 28 10.208 9.705 6.495 221 2HB ALA 28 2HB ALA 28 9.734 8.167 5.731 222 3HB ALA 28 3HB ALA 28 9.297 9.714 4.966 223 H GLY 29 H GLY 29 6.513 9.976 8.584 224 1HA GLY 29 1HA GLY 29 8.100 10.312 10.760 225 2HA GLY 29 2HA GLY 29 6.442 9.750 10.828 Start of MODEL 4 1 H ARG 1 H ARG 1 -7.910 -8.265 2.962 2 HA ARG 1 HA ARG 1 -7.141 -5.572 3.514 3 2HB ARG 1 2HB ARG 1 -4.930 -6.686 4.154 4 2HG ARG 1 2HG ARG 1 -7.609 -7.394 5.326 5 2HD ARG 1 2HD ARG 1 -5.430 -8.387 6.999 6 HE ARG 1 HE ARG 1 -7.534 -9.320 7.532 7 1HH1 ARG 1 1HH1 ARG 1 -9.430 -11.621 5.718 8 2HH1 ARG 1 2HH1 ARG 1 -9.221 -10.836 7.248 9 1HH2 ARG 1 1HH2 ARG 1 -7.997 -11.134 3.959 10 2HH2 ARG 1 2HH2 ARG 1 -6.719 -9.986 4.174 11 H GLY 2 H GLY 2 -7.611 -5.144 1.037 12 1HA GLY 2 1HA GLY 2 -5.349 -5.959 -0.652 13 2HA GLY 2 2HA GLY 2 -6.877 -5.283 -1.184 14 H LEU 3 H LEU 3 -5.014 -3.983 -2.405 15 HA LEU 3 HA LEU 3 -4.367 -1.653 -0.737 16 2HB LEU 3 2HB LEU 3 -2.345 -2.668 -1.338 17 HG LEU 3 HG LEU 3 -3.590 -3.144 -4.004 18 1HD1 LEU 3 1HD1 LEU 3 -1.968 -1.937 -5.024 19 2HD1 LEU 3 2HD1 LEU 3 -0.859 -2.037 -3.635 20 3HD1 LEU 3 3HD1 LEU 3 -1.025 -3.421 -4.742 21 1HD2 LEU 3 1HD2 LEU 3 -1.387 -4.858 -3.170 22 2HD2 LEU 3 2HD2 LEU 3 -2.645 -4.720 -1.918 23 3HD2 LEU 3 3HD2 LEU 3 -3.077 -5.264 -3.558 24 H ARG 4 H ARG 4 -6.084 -0.286 -1.059 25 HA ARG 4 HA ARG 4 -6.292 0.787 -3.678 26 2HB ARG 4 2HB ARG 4 -8.984 0.469 -3.333 27 2HG ARG 4 2HG ARG 4 -8.880 -1.348 -4.972 28 2HD ARG 4 2HD ARG 4 -6.366 0.034 -5.770 29 HE ARG 4 HE ARG 4 -8.960 -0.650 -6.977 30 1HH1 ARG 4 1HH1 ARG 4 -7.890 0.297 -10.163 31 2HH1 ARG 4 2HH1 ARG 4 -9.119 -0.517 -9.254 32 1HH2 ARG 4 1HH2 ARG 4 -6.079 1.251 -9.068 33 2HH2 ARG 4 2HH2 ARG 4 -5.957 1.151 -7.344 34 H ARG 5 H ARG 5 -8.174 0.499 -0.565 35 HA ARG 5 HA ARG 5 -7.461 2.869 0.481 36 2HB ARG 5 2HB ARG 5 -9.789 3.147 -1.453 37 2HG ARG 5 2HG ARG 5 -9.203 4.929 0.960 38 2HD ARG 5 2HD ARG 5 -11.250 6.167 0.136 39 HE ARG 5 HE ARG 5 -9.334 7.344 -0.615 40 1HH1 ARG 5 1HH1 ARG 5 -7.707 7.084 -3.692 41 2HH1 ARG 5 2HH1 ARG 5 -7.892 8.027 -2.252 42 1HH2 ARG 5 1HH2 ARG 5 -8.925 5.126 -3.960 43 2HH2 ARG 5 2HH2 ARG 5 -10.019 4.608 -2.722 44 H LEU 6 H LEU 6 -9.960 0.439 -0.169 45 HA LEU 6 HA LEU 6 -11.478 1.003 2.183 46 2HB LEU 6 2HB LEU 6 -12.575 -1.167 1.597 47 HG LEU 6 HG LEU 6 -12.385 1.043 -0.429 48 1HD1 LEU 6 1HD1 LEU 6 -14.256 -0.129 -1.677 49 2HD1 LEU 6 2HD1 LEU 6 -12.619 -0.796 -1.891 50 3HD1 LEU 6 3HD1 LEU 6 -13.777 -1.610 -0.812 51 1HD2 LEU 6 1HD2 LEU 6 -13.761 0.951 1.836 52 2HD2 LEU 6 2HD2 LEU 6 -14.407 1.729 0.372 53 3HD2 LEU 6 3HD2 LEU 6 -14.926 0.082 0.807 54 H GLY 7 H GLY 7 -9.208 -1.651 1.177 55 1HA GLY 7 1HA GLY 7 -9.097 -2.665 3.879 56 2HA GLY 7 2HA GLY 7 -8.241 -3.259 2.471 57 H ARG 8 H ARG 8 -6.054 -3.042 2.586 58 HA ARG 8 HA ARG 8 -5.001 -1.174 4.467 59 2HB ARG 8 2HB ARG 8 -3.358 -2.886 2.560 60 2HG ARG 8 2HG ARG 8 -2.923 -1.391 5.081 61 2HD ARG 8 2HD ARG 8 -1.251 -3.854 4.947 62 HE ARG 8 HE ARG 8 -0.881 -2.920 7.045 63 1HH1 ARG 8 1HH1 ARG 8 -3.048 -1.486 9.375 64 2HH1 ARG 8 2HH1 ARG 8 -1.414 -1.957 9.048 65 1HH2 ARG 8 1HH2 ARG 8 -4.697 -1.833 7.780 66 2HH2 ARG 8 2HH2 ARG 8 -4.294 -2.563 6.261 67 H LYS 9 H LYS 9 -4.545 0.928 3.897 68 HA LYS 9 HA LYS 9 -3.460 1.388 1.226 69 2HB LYS 9 2HB LYS 9 -5.722 1.907 0.834 70 2HG LYS 9 2HG LYS 9 -5.930 2.238 3.594 71 2HD LYS 9 2HD LYS 9 -5.103 4.612 3.314 72 2HE LYS 9 2HE LYS 9 -7.702 5.476 2.156 73 1HZ LYS 9 1HZ LYS 9 -6.209 6.964 1.042 74 2HZ LYS 9 2HZ LYS 9 -5.851 6.935 2.634 75 3HZ LYS 9 3HZ LYS 9 -4.901 6.141 1.568 76 H ILE 10 H ILE 10 -4.323 2.892 4.419 77 HA ILE 10 HA ILE 10 -2.571 4.974 4.365 78 HB ILE 10 HB ILE 10 -3.332 3.252 6.727 79 2HG1 ILE 10 2HG1 ILE 10 -5.205 4.194 5.263 80 1HG2 ILE 10 1HG2 ILE 10 -2.185 4.625 8.035 81 2HG2 ILE 10 2HG2 ILE 10 -1.499 5.386 6.579 82 3HG2 ILE 10 3HG2 ILE 10 -2.976 6.048 7.316 83 1HD1 ILE 10 1HD1 ILE 10 -5.372 5.469 7.978 84 2HD1 ILE 10 2HD1 ILE 10 -6.546 4.424 7.140 85 3HD1 ILE 10 3HD1 ILE 10 -5.111 3.709 7.916 86 H ALA 11 H ALA 11 -1.909 1.635 5.641 87 HA ALA 11 HA ALA 11 0.905 2.271 5.783 88 1HB ALA 11 1HB ALA 11 -0.199 0.954 7.552 89 2HB ALA 11 2HB ALA 11 -0.655 -0.282 6.355 90 3HB ALA 11 3HB ALA 11 1.061 -0.004 6.739 91 H HIS 12 H HIS 12 0.876 -0.927 5.029 92 HA HIS 12 HA HIS 12 1.732 -2.017 3.312 93 2HB HIS 12 2HB HIS 12 0.246 -1.169 1.107 94 HD1 HIS 12 1HD HIS 12 1.120 -3.626 3.565 95 HD2 HIS 12 2HD HIS 12 -2.080 -3.142 0.896 96 HE1 HIS 12 1HE HIS 12 0.047 -5.929 3.310 97 H GLY 13 H GLY 13 3.773 -1.647 2.617 98 1HA GLY 13 1HA GLY 13 5.213 -0.838 0.956 99 2HA GLY 13 2HA GLY 13 4.195 0.573 0.743 100 H VAL 14 H VAL 14 4.195 0.259 4.022 101 HA VAL 14 HA VAL 14 6.759 1.645 4.361 102 HB VAL 14 HB VAL 14 4.525 3.052 4.197 103 1HG1 VAL 14 1HG1 VAL 14 3.278 1.848 5.897 104 2HG1 VAL 14 2HG1 VAL 14 4.560 2.144 7.097 105 3HG1 VAL 14 3HG1 VAL 14 3.602 3.505 6.461 106 1HG2 VAL 14 1HG2 VAL 14 7.018 3.356 5.756 107 2HG2 VAL 14 2HG2 VAL 14 6.269 4.439 4.558 108 3HG2 VAL 14 3HG2 VAL 14 5.690 4.439 6.241 109 H LYS 15 H LYS 15 3.950 -0.062 5.868 110 HA LYS 15 HA LYS 15 5.312 -0.528 8.304 111 2HB LYS 15 2HB LYS 15 2.758 -1.435 7.030 112 2HG LYS 15 2HG LYS 15 3.869 -3.469 8.123 113 2HD LYS 15 2HD LYS 15 4.352 -1.522 10.192 114 2HE LYS 15 2HE LYS 15 2.469 -3.802 10.950 115 1HZ LYS 15 1HZ LYS 15 3.474 -2.101 12.999 116 2HZ LYS 15 2HZ LYS 15 3.285 -3.723 12.994 117 3HZ LYS 15 3HZ LYS 15 4.628 -3.057 12.346 118 H LYS 16 H LYS 16 5.206 -2.107 5.138 119 HA LYS 16 HA LYS 16 6.822 -4.285 6.267 120 2HB LYS 16 2HB LYS 16 5.438 -5.668 5.216 121 2HG LYS 16 2HG LYS 16 3.556 -4.767 3.764 122 2HD LYS 16 2HD LYS 16 3.456 -2.958 6.115 123 2HE LYS 16 2HE LYS 16 1.796 -5.014 4.739 124 1HZ LYS 16 1HZ LYS 16 0.874 -5.891 6.546 125 2HZ LYS 16 2HZ LYS 16 2.271 -5.518 7.303 126 3HZ LYS 16 3HZ LYS 16 0.981 -4.525 7.437 127 H TYR 17 H TYR 17 6.526 -1.734 3.781 128 HA TYR 17 HA TYR 17 9.064 -2.472 2.609 129 2HB TYR 17 2HB TYR 17 8.329 -0.054 1.537 130 HD1 TYR 17 1HD TYR 17 6.556 -3.353 1.787 131 HD2 TYR 17 2HD TYR 17 8.165 -0.321 -0.766 132 HE1 TYR 17 1HE TYR 17 6.021 -4.776 -0.252 133 HE2 TYR 17 2HE TYR 17 7.623 -1.753 -2.796 134 HH TYR 17 HH TYR 17 5.534 -4.047 -2.875 135 H GLY 18 H GLY 18 7.834 0.766 3.674 136 1HA GLY 18 1HA GLY 18 8.879 1.845 5.582 137 2HA GLY 18 2HA GLY 18 10.407 1.149 5.084 138 HA PRO 19 HA PRO 19 10.822 4.211 1.934 139 2HB PRO 19 2HB PRO 19 11.850 2.957 0.300 140 2HG PRO 19 2HG PRO 19 11.234 0.734 0.262 141 2HD PRO 19 2HD PRO 19 10.544 0.465 2.437 142 H THR 20 H THR 20 7.735 2.745 1.845 143 HA THR 20 HA THR 20 6.305 4.278 0.150 144 HB THR 20 HB THR 20 5.842 2.921 2.780 145 HG1 THR 20 1HG THR 20 5.635 2.104 0.482 146 1HG2 THR 20 1HG2 THR 20 3.342 3.663 2.482 147 2HG2 THR 20 2HG2 THR 20 4.437 4.784 3.327 148 3HG2 THR 20 3HG2 THR 20 4.015 5.069 1.621 149 H VAL 21 H VAL 21 7.463 6.307 -0.082 150 HA VAL 21 HA VAL 21 7.849 8.145 1.904 151 HB VAL 21 HB VAL 21 8.254 9.636 0.220 152 1HG1 VAL 21 1HG1 VAL 21 9.315 7.294 -0.169 153 2HG1 VAL 21 2HG1 VAL 21 8.208 7.203 -1.562 154 3HG1 VAL 21 3HG1 VAL 21 9.412 8.512 -1.465 155 1HG2 VAL 21 1HG2 VAL 21 5.887 8.415 -1.206 156 2HG2 VAL 21 2HG2 VAL 21 6.116 10.087 -0.644 157 3HG2 VAL 21 3HG2 VAL 21 7.035 9.487 -2.044 158 H LEU 22 H LEU 22 6.453 10.477 1.462 159 HA LEU 22 HA LEU 22 4.388 11.440 1.499 160 2HB LEU 22 2HB LEU 22 2.345 10.241 1.668 161 HG LEU 22 HG LEU 22 4.339 9.207 -0.241 162 1HD1 LEU 22 1HD1 LEU 22 2.177 7.541 -0.793 163 2HD1 LEU 22 2HD1 LEU 22 3.773 7.058 -0.173 164 3HD1 LEU 22 3HD1 LEU 22 2.438 7.368 0.960 165 1HD2 LEU 22 1HD2 LEU 22 1.569 10.351 -0.294 166 2HD2 LEU 22 2HD2 LEU 22 3.048 10.900 -1.114 167 3HD2 LEU 22 3HD2 LEU 22 2.184 9.462 -1.708 168 H ARG 23 H ARG 23 4.049 8.761 3.911 169 HA ARG 23 HA ARG 23 3.702 10.713 5.935 170 2HB ARG 23 2HB ARG 23 3.502 8.669 7.435 171 2HG ARG 23 2HG ARG 23 1.564 7.607 6.043 172 2HD ARG 23 2HD ARG 23 1.814 10.145 7.399 173 HE ARG 23 HE ARG 23 0.735 10.496 4.782 174 1HH1 ARG 23 1HH1 ARG 23 -1.330 13.209 5.527 175 2HH1 ARG 23 2HH1 ARG 23 -0.545 12.317 4.266 176 1HH2 ARG 23 1HH2 ARG 23 -1.081 12.554 7.740 177 2HH2 ARG 23 2HH2 ARG 23 -0.111 11.173 8.130 178 H ILE 24 H ILE 24 6.415 9.917 4.365 179 HA ILE 24 HA ILE 24 8.045 10.075 6.795 180 HB ILE 24 HB ILE 24 9.719 8.688 5.341 181 2HG1 ILE 24 2HG1 ILE 24 7.833 8.723 3.468 182 1HG2 ILE 24 1HG2 ILE 24 7.891 8.110 7.429 183 2HG2 ILE 24 2HG2 ILE 24 7.891 6.715 6.324 184 3HG2 ILE 24 3HG2 ILE 24 9.419 7.288 7.033 185 1HD1 ILE 24 1HD1 ILE 24 9.804 6.574 4.264 186 2HD1 ILE 24 2HD1 ILE 24 8.725 6.295 2.876 187 3HD1 ILE 24 3HD1 ILE 24 9.845 7.680 2.870 188 H ILE 25 H ILE 25 7.751 10.583 3.235 189 HA ILE 25 HA ILE 25 9.741 12.723 3.515 190 HB ILE 25 HB ILE 25 8.978 11.792 0.825 191 2HG1 ILE 25 2HG1 ILE 25 8.933 9.646 1.949 192 1HG2 ILE 25 1HG2 ILE 25 11.789 11.743 1.456 193 2HG2 ILE 25 2HG2 ILE 25 10.894 12.792 0.331 194 3HG2 ILE 25 3HG2 ILE 25 11.053 13.253 2.042 195 1HD1 ILE 25 1HD1 ILE 25 10.160 9.928 -0.287 196 2HD1 ILE 25 2HD1 ILE 25 11.671 9.940 0.653 197 3HD1 ILE 25 3HD1 ILE 25 10.623 8.503 0.674 198 H ARG 26 H ARG 26 6.401 11.886 2.829 199 HA ARG 26 HA ARG 26 4.687 13.038 2.143 200 2HB ARG 26 2HB ARG 26 4.137 14.721 3.638 201 2HG ARG 26 2HG ARG 26 6.550 14.741 5.218 202 2HD ARG 26 2HD ARG 26 4.946 12.881 6.416 203 HE ARG 26 HE ARG 26 5.169 15.757 6.576 204 1HH1 ARG 26 1HH1 ARG 26 3.291 16.051 9.504 205 2HH1 ARG 26 2HH1 ARG 26 4.405 16.841 8.438 206 1HH2 ARG 26 1HH2 ARG 26 2.579 13.891 9.044 207 2HH2 ARG 26 2HH2 ARG 26 3.157 13.069 7.633 208 H ILE 27 H ILE 27 7.363 13.328 0.547 209 HA ILE 27 HA ILE 27 6.535 15.710 -0.961 210 HB ILE 27 HB ILE 27 9.332 14.649 -0.550 211 2HG1 ILE 27 2HG1 ILE 27 7.781 16.219 1.173 212 1HG2 ILE 27 1HG2 ILE 27 8.545 17.226 -1.911 213 2HG2 ILE 27 2HG2 ILE 27 10.125 16.404 -1.896 214 3HG2 ILE 27 3HG2 ILE 27 8.764 15.701 -2.802 215 1HD1 ILE 27 1HD1 ILE 27 9.653 16.067 2.523 216 2HD1 ILE 27 2HD1 ILE 27 10.094 14.833 1.319 217 3HD1 ILE 27 3HD1 ILE 27 10.771 16.476 1.199 218 H ALA 28 H ALA 28 8.216 12.498 -1.130 219 HA ALA 28 HA ALA 28 8.226 10.936 -2.695 220 1HB ALA 28 1HB ALA 28 5.689 12.207 -3.787 221 2HB ALA 28 2HB ALA 28 6.198 10.505 -3.904 222 3HB ALA 28 3HB ALA 28 5.720 11.185 -2.330 223 H GLY 29 H GLY 29 9.701 13.410 -3.098 224 1HA GLY 29 1HA GLY 29 9.437 14.509 -5.640 225 2HA GLY 29 2HA GLY 29 10.908 14.432 -4.693 Start of MODEL 5 1 H ARG 1 H ARG 1 -7.001 12.620 8.100 2 HA ARG 1 HA ARG 1 -9.902 12.608 8.356 3 2HB ARG 1 2HB ARG 1 -9.030 14.718 6.591 4 2HG ARG 1 2HG ARG 1 -11.047 14.511 8.257 5 2HD ARG 1 2HD ARG 1 -9.211 16.055 10.104 6 HE ARG 1 HE ARG 1 -11.940 15.230 10.179 7 1HH1 ARG 1 1HH1 ARG 1 -12.353 15.417 13.638 8 2HH1 ARG 1 2HH1 ARG 1 -13.159 15.353 12.107 9 1HH2 ARG 1 1HH2 ARG 1 -10.035 15.375 13.731 10 2HH2 ARG 1 2HH2 ARG 1 -9.110 15.281 12.271 11 H GLY 2 H GLY 2 -8.288 10.528 7.064 12 1HA GLY 2 1HA GLY 2 -8.562 11.052 4.196 13 2HA GLY 2 2HA GLY 2 -7.737 9.707 4.958 14 H LEU 3 H LEU 3 -9.809 9.672 2.811 15 HA LEU 3 HA LEU 3 -12.152 8.619 4.134 16 2HB LEU 3 2HB LEU 3 -12.831 8.248 1.688 17 HG LEU 3 HG LEU 3 -12.358 10.986 2.856 18 1HD1 LEU 3 1HD1 LEU 3 -14.074 11.475 0.789 19 2HD1 LEU 3 2HD1 LEU 3 -12.328 11.823 0.776 20 3HD1 LEU 3 3HD1 LEU 3 -12.942 10.318 0.049 21 1HD2 LEU 3 1HD2 LEU 3 -14.388 9.016 3.095 22 2HD2 LEU 3 2HD2 LEU 3 -14.331 10.647 3.806 23 3HD2 LEU 3 3HD2 LEU 3 -15.080 10.396 2.211 24 H ARG 4 H ARG 4 -10.200 7.304 1.375 25 HA ARG 4 HA ARG 4 -9.769 5.240 0.836 26 2HB ARG 4 2HB ARG 4 -8.832 4.020 3.201 27 2HG ARG 4 2HG ARG 4 -7.666 5.596 0.938 28 2HD ARG 4 2HD ARG 4 -5.756 4.710 3.091 29 HE ARG 4 HE ARG 4 -5.552 6.141 0.657 30 1HH1 ARG 4 1HH1 ARG 4 -2.615 7.894 1.352 31 2HH1 ARG 4 2HH1 ARG 4 -3.687 7.344 0.108 32 1HH2 ARG 4 1HH2 ARG 4 -3.071 7.408 3.576 33 2HH2 ARG 4 2HH2 ARG 4 -4.483 6.496 3.991 34 H ARG 5 H ARG 5 -9.795 2.731 2.176 35 HA ARG 5 HA ARG 5 -11.911 2.210 3.774 36 2HB ARG 5 2HB ARG 5 -12.911 1.323 1.106 37 2HG ARG 5 2HG ARG 5 -14.676 2.907 2.851 38 2HD ARG 5 2HD ARG 5 -15.415 0.161 2.798 39 HE ARG 5 HE ARG 5 -16.473 2.630 1.873 40 1HH1 ARG 5 1HH1 ARG 5 -19.267 1.345 0.222 41 2HH1 ARG 5 2HH1 ARG 5 -18.543 2.759 0.912 42 1HH2 ARG 5 1HH2 ARG 5 -18.134 -0.679 0.271 43 2HH2 ARG 5 2HH2 ARG 5 -16.565 -0.776 1.000 44 H LEU 6 H LEU 6 -9.734 1.357 1.136 45 HA LEU 6 HA LEU 6 -10.117 -1.422 1.161 46 2HB LEU 6 2HB LEU 6 -7.813 -1.412 0.122 47 HG LEU 6 HG LEU 6 -10.058 0.238 -1.012 48 1HD1 LEU 6 1HD1 LEU 6 -8.900 0.769 -2.975 49 2HD1 LEU 6 2HD1 LEU 6 -7.767 1.186 -1.668 50 3HD1 LEU 6 3HD1 LEU 6 -7.548 -0.322 -2.587 51 1HD2 LEU 6 1HD2 LEU 6 -10.689 -1.867 -1.467 52 2HD2 LEU 6 2HD2 LEU 6 -9.502 -1.753 -2.789 53 3HD2 LEU 6 3HD2 LEU 6 -9.049 -2.521 -1.248 54 H GLY 7 H GLY 7 -8.992 0.686 3.577 55 1HA GLY 7 1HA GLY 7 -8.154 0.260 5.625 56 2HA GLY 7 2HA GLY 7 -8.275 -1.456 5.295 57 H ARG 8 H ARG 8 -6.595 -2.045 3.272 58 HA ARG 8 HA ARG 8 -4.074 -1.509 4.483 59 2HB ARG 8 2HB ARG 8 -3.488 -2.967 2.213 60 2HG ARG 8 2HG ARG 8 -4.357 -3.697 5.000 61 2HD ARG 8 2HD ARG 8 -3.447 -6.004 3.391 62 HE ARG 8 HE ARG 8 -5.924 -6.227 4.876 63 1HH1 ARG 8 1HH1 ARG 8 -4.399 -7.334 7.814 64 2HH1 ARG 8 2HH1 ARG 8 -5.895 -7.181 6.953 65 1HH2 ARG 8 1HH2 ARG 8 -2.426 -6.571 6.857 66 2HH2 ARG 8 2HH2 ARG 8 -2.449 -5.848 5.284 67 H LYS 9 H LYS 9 -4.920 0.932 3.651 68 HA LYS 9 HA LYS 9 -3.489 1.360 1.119 69 2HB LYS 9 2HB LYS 9 -5.849 2.897 2.241 70 2HG LYS 9 2HG LYS 9 -4.109 4.234 0.909 71 2HD LYS 9 2HD LYS 9 -4.791 2.052 -1.041 72 2HE LYS 9 2HE LYS 9 -5.003 4.934 -1.657 73 1HZ LYS 9 1HZ LYS 9 -2.755 4.535 -2.396 74 2HZ LYS 9 2HZ LYS 9 -3.224 3.237 -3.269 75 3HZ LYS 9 3HZ LYS 9 -3.744 4.729 -3.682 76 H ILE 10 H ILE 10 -4.335 2.725 4.362 77 HA ILE 10 HA ILE 10 -2.641 4.890 4.303 78 HB ILE 10 HB ILE 10 -3.384 3.151 6.658 79 2HG1 ILE 10 2HG1 ILE 10 -5.270 4.043 5.168 80 1HG2 ILE 10 1HG2 ILE 10 -2.067 4.495 7.837 81 2HG2 ILE 10 2HG2 ILE 10 -1.761 5.542 6.429 82 3HG2 ILE 10 3HG2 ILE 10 -3.190 5.822 7.453 83 1HD1 ILE 10 1HD1 ILE 10 -6.640 4.618 7.096 84 2HD1 ILE 10 2HD1 ILE 10 -5.500 3.347 7.596 85 3HD1 ILE 10 3HD1 ILE 10 -5.199 5.039 8.051 86 H ALA 11 H ALA 11 -1.954 1.547 5.551 87 HA ALA 11 HA ALA 11 0.851 2.216 5.728 88 1HB ALA 11 1HB ALA 11 -0.255 0.874 7.478 89 2HB ALA 11 2HB ALA 11 -0.681 -0.362 6.269 90 3HB ALA 11 3HB ALA 11 1.026 -0.062 6.672 91 H HIS 12 H HIS 12 0.856 -0.980 4.952 92 HA HIS 12 HA HIS 12 1.732 -2.053 3.235 93 2HB HIS 12 2HB HIS 12 0.278 -1.195 1.015 94 HD1 HIS 12 1HD HIS 12 1.140 -3.674 3.439 95 HD2 HIS 12 2HD HIS 12 -2.087 -3.150 0.810 96 HE1 HIS 12 1HE HIS 12 0.056 -5.967 3.173 97 H GLY 13 H GLY 13 3.784 -1.668 2.579 98 1HA GLY 13 1HA GLY 13 5.248 -0.840 0.949 99 2HA GLY 13 2HA GLY 13 4.226 0.566 0.723 100 H VAL 14 H VAL 14 4.188 0.212 4.008 101 HA VAL 14 HA VAL 14 6.728 1.626 4.391 102 HB VAL 14 HB VAL 14 4.487 3.013 4.214 103 1HG1 VAL 14 1HG1 VAL 14 3.209 1.787 5.862 104 2HG1 VAL 14 2HG1 VAL 14 4.471 2.044 7.091 105 3HG1 VAL 14 3HG1 VAL 14 3.530 3.425 6.479 106 1HG2 VAL 14 1HG2 VAL 14 6.915 3.675 4.890 107 2HG2 VAL 14 2HG2 VAL 14 5.568 4.756 5.317 108 3HG2 VAL 14 3HG2 VAL 14 6.270 3.680 6.548 109 H LYS 15 H LYS 15 3.924 -0.132 5.844 110 HA LYS 15 HA LYS 15 5.254 -0.605 8.293 111 2HB LYS 15 2HB LYS 15 2.812 -1.821 6.982 112 2HG LYS 15 2HG LYS 15 4.275 -2.519 9.513 113 2HD LYS 15 2HD LYS 15 1.264 -2.162 9.276 114 2HE LYS 15 2HE LYS 15 0.968 -3.593 11.222 115 1HZ LYS 15 1HZ LYS 15 1.687 -4.553 8.835 116 2HZ LYS 15 2HZ LYS 15 2.716 -5.351 9.820 117 3HZ LYS 15 3HZ LYS 15 1.105 -5.461 10.061 118 H LYS 16 H LYS 16 5.219 -2.159 5.112 119 HA LYS 16 HA LYS 16 6.866 -4.312 6.242 120 2HB LYS 16 2HB LYS 16 5.581 -5.743 5.136 121 2HG LYS 16 2HG LYS 16 3.625 -4.815 3.724 122 2HD LYS 16 2HD LYS 16 3.963 -3.806 6.590 123 2HE LYS 16 2HE LYS 16 1.975 -2.989 4.986 124 1HZ LYS 16 1HZ LYS 16 0.914 -5.512 6.028 125 2HZ LYS 16 2HZ LYS 16 0.193 -4.467 5.003 126 3HZ LYS 16 3HZ LYS 16 1.457 -5.368 4.495 127 H TYR 17 H TYR 17 6.540 -1.746 3.778 128 HA TYR 17 HA TYR 17 9.100 -2.428 2.614 129 2HB TYR 17 2HB TYR 17 8.324 -0.008 1.570 130 HD1 TYR 17 1HD TYR 17 8.757 -0.587 -0.635 131 HD2 TYR 17 2HD TYR 17 6.070 -3.014 1.644 132 HE1 TYR 17 1HE TYR 17 8.276 -1.999 -2.693 133 HE2 TYR 17 2HE TYR 17 5.598 -4.419 -0.422 134 HH TYR 17 HH TYR 17 7.035 -3.565 -3.548 135 H GLY 18 H GLY 18 7.810 0.779 3.694 136 1HA GLY 18 1HA GLY 18 8.817 1.865 5.618 137 2HA GLY 18 2HA GLY 18 10.362 1.191 5.135 138 HA PRO 19 HA PRO 19 10.781 4.274 2.010 139 2HB PRO 19 2HB PRO 19 11.862 3.043 0.391 140 2HG PRO 19 2HG PRO 19 11.286 0.810 0.334 141 2HD PRO 19 2HD PRO 19 10.560 0.521 2.495 142 H THR 20 H THR 20 7.723 2.769 1.889 143 HA THR 20 HA THR 20 6.286 4.254 0.163 144 HB THR 20 HB THR 20 5.826 2.930 2.805 145 HG1 THR 20 1HG THR 20 5.611 2.138 0.480 146 1HG2 THR 20 1HG2 THR 20 4.405 4.754 3.374 147 2HG2 THR 20 2HG2 THR 20 4.022 5.101 1.670 148 3HG2 THR 20 3HG2 THR 20 3.313 3.677 2.470 149 H VAL 21 H VAL 21 7.523 6.275 -0.049 150 HA VAL 21 HA VAL 21 7.934 8.170 1.794 151 HB VAL 21 HB VAL 21 8.153 9.616 0.061 152 1HG1 VAL 21 1HG1 VAL 21 7.821 7.197 -1.708 153 2HG1 VAL 21 2HG1 VAL 21 9.045 8.488 -1.776 154 3HG1 VAL 21 3HG1 VAL 21 9.111 7.264 -0.485 155 1HG2 VAL 21 1HG2 VAL 21 5.457 8.704 -0.651 156 2HG2 VAL 21 2HG2 VAL 21 6.210 10.307 -0.827 157 3HG2 VAL 21 3HG2 VAL 21 6.482 9.055 -2.063 158 H LEU 22 H LEU 22 6.770 9.938 2.733 159 HA LEU 22 HA LEU 22 4.306 10.800 2.384 160 2HB LEU 22 2HB LEU 22 3.178 9.159 4.251 161 HG LEU 22 HG LEU 22 2.990 9.261 1.273 162 1HD1 LEU 22 1HD1 LEU 22 1.103 7.436 1.637 163 2HD1 LEU 22 2HD1 LEU 22 2.781 6.990 1.248 164 3HD1 LEU 22 3HD1 LEU 22 2.205 6.905 2.930 165 1HD2 LEU 22 1HD2 LEU 22 0.598 9.674 1.820 166 2HD2 LEU 22 2HD2 LEU 22 1.012 9.559 3.547 167 3HD2 LEU 22 3HD2 LEU 22 1.715 10.852 2.548 168 H ARG 23 H ARG 23 5.289 9.013 5.377 169 HA ARG 23 HA ARG 23 5.224 11.524 6.747 170 2HB ARG 23 2HB ARG 23 4.222 9.451 7.750 171 2HG ARG 23 2HG ARG 23 6.780 8.328 8.658 172 2HD ARG 23 2HD ARG 23 5.033 6.644 6.983 173 HE ARG 23 HE ARG 23 6.006 5.320 8.641 174 1HH1 ARG 23 1HH1 ARG 23 6.113 5.678 12.110 175 2HH1 ARG 23 2HH1 ARG 23 6.480 4.642 10.772 176 1HH2 ARG 23 1HH2 ARG 23 5.141 7.753 11.741 177 2HH2 ARG 23 2HH2 ARG 23 4.782 8.265 10.126 178 H ILE 24 H ILE 24 7.464 10.113 4.812 179 HA ILE 24 HA ILE 24 9.700 10.944 6.528 180 HB ILE 24 HB ILE 24 10.986 9.349 4.924 181 2HG1 ILE 24 2HG1 ILE 24 8.624 9.017 3.701 182 1HG2 ILE 24 1HG2 ILE 24 9.449 7.677 6.781 183 2HG2 ILE 24 2HG2 ILE 24 11.191 8.039 6.725 184 3HG2 ILE 24 3HG2 ILE 24 10.071 9.178 7.509 185 1HD1 ILE 24 1HD1 ILE 24 10.625 6.759 4.175 186 2HD1 ILE 24 2HD1 ILE 24 9.525 6.924 2.786 187 3HD1 ILE 24 3HD1 ILE 24 10.854 8.087 3.011 188 H ILE 25 H ILE 25 8.363 10.747 3.178 189 HA ILE 25 HA ILE 25 10.138 12.985 2.495 190 HB ILE 25 HB ILE 25 8.821 11.537 0.312 191 2HG1 ILE 25 2HG1 ILE 25 9.132 9.585 1.631 192 1HG2 ILE 25 1HG2 ILE 25 11.597 12.550 0.927 193 2HG2 ILE 25 2HG2 ILE 25 11.226 11.586 -0.521 194 3HG2 ILE 25 3HG2 ILE 25 10.426 13.156 -0.270 195 1HD1 ILE 25 1HD1 ILE 25 11.740 9.668 0.097 196 2HD1 ILE 25 2HD1 ILE 25 10.577 8.331 0.262 197 3HD1 ILE 25 3HD1 ILE 25 10.192 9.721 -0.780 198 H ARG 26 H ARG 26 6.808 11.758 2.689 199 HA ARG 26 HA ARG 26 4.881 12.663 2.233 200 2HB ARG 26 2HB ARG 26 4.472 14.291 3.791 201 2HG ARG 26 2HG ARG 26 7.295 14.953 4.376 202 2HD ARG 26 2HD ARG 26 6.188 13.356 6.418 203 HE ARG 26 HE ARG 26 7.072 15.393 7.204 204 1HH1 ARG 26 1HH1 ARG 26 5.772 18.621 6.936 205 2HH1 ARG 26 2HH1 ARG 26 6.956 17.619 7.706 206 1HH2 ARG 26 1HH2 ARG 26 4.305 17.701 5.389 207 2HH2 ARG 26 2HH2 ARG 26 4.392 16.015 5.009 208 H ILE 27 H ILE 27 7.191 13.061 0.153 209 HA ILE 27 HA ILE 27 5.830 15.177 -1.366 210 HB ILE 27 HB ILE 27 8.769 14.483 -1.377 211 2HG1 ILE 27 2HG1 ILE 27 7.340 16.036 0.463 212 1HG2 ILE 27 1HG2 ILE 27 8.529 16.874 -2.663 213 2HG2 ILE 27 2HG2 ILE 27 8.655 15.292 -3.466 214 3HG2 ILE 27 3HG2 ILE 27 7.058 16.034 -3.205 215 1HD1 ILE 27 1HD1 ILE 27 9.820 14.953 0.275 216 2HD1 ILE 27 2HD1 ILE 27 10.226 16.656 -0.050 217 3HD1 ILE 27 3HD1 ILE 27 9.410 16.209 1.468 218 H ALA 28 H ALA 28 7.828 12.157 -1.555 219 HA ALA 28 HA ALA 28 7.651 10.391 -2.883 220 1HB ALA 28 1HB ALA 28 5.110 11.417 -4.139 221 2HB ALA 28 2HB ALA 28 5.566 9.751 -3.705 222 3HB ALA 28 3HB ALA 28 5.105 10.908 -2.432 223 H GLY 29 H GLY 29 9.303 12.488 -3.634 224 1HA GLY 29 1HA GLY 29 8.800 13.342 -6.319 225 2HA GLY 29 2HA GLY 29 10.273 13.534 -5.390 Start of MODEL 6 1 H ARG 1 H ARG 1 -9.011 0.108 -2.509 2 HA ARG 1 HA ARG 1 -6.734 -0.824 -1.760 3 2HB ARG 1 2HB ARG 1 -6.179 -1.050 -4.684 4 2HG ARG 1 2HG ARG 1 -5.230 -2.164 -2.092 5 2HD ARG 1 2HD ARG 1 -5.438 -3.861 -4.613 6 HE ARG 1 HE ARG 1 -3.217 -4.417 -4.108 7 1HH1 ARG 1 1HH1 ARG 1 -1.755 -5.348 -1.079 8 2HH1 ARG 1 2HH1 ARG 1 -1.532 -5.220 -2.792 9 1HH2 ARG 1 1HH2 ARG 1 -3.768 -4.700 -0.121 10 2HH2 ARG 1 2HH2 ARG 1 -5.046 -4.091 -1.118 11 H GLY 2 H GLY 2 -8.044 1.617 -1.839 12 1HA GLY 2 1HA GLY 2 -6.006 3.356 -2.872 13 2HA GLY 2 2HA GLY 2 -7.506 3.460 -3.775 14 H LEU 3 H LEU 3 -9.395 2.952 -1.663 15 HA LEU 3 HA LEU 3 -9.305 5.541 -0.406 16 2HB LEU 3 2HB LEU 3 -11.569 4.702 0.474 17 HG LEU 3 HG LEU 3 -12.771 5.122 -1.557 18 1HD1 LEU 3 1HD1 LEU 3 -11.382 6.967 -0.393 19 2HD1 LEU 3 2HD1 LEU 3 -10.349 6.883 -1.842 20 3HD1 LEU 3 3HD1 LEU 3 -12.074 7.291 -2.001 21 1HD2 LEU 3 1HD2 LEU 3 -10.166 4.796 -3.073 22 2HD2 LEU 3 2HD2 LEU 3 -11.480 3.597 -3.016 23 3HD2 LEU 3 3HD2 LEU 3 -11.762 5.193 -3.755 24 H ARG 4 H ARG 4 -9.488 5.884 1.909 25 HA ARG 4 HA ARG 4 -7.866 3.990 3.290 26 2HB ARG 4 2HB ARG 4 -7.366 6.308 3.724 27 2HG ARG 4 2HG ARG 4 -9.617 7.391 5.032 28 2HD ARG 4 2HD ARG 4 -9.706 8.916 3.077 29 HE ARG 4 HE ARG 4 -7.479 8.627 4.646 30 1HH1 ARG 4 1HH1 ARG 4 -5.062 10.504 2.969 31 2HH1 ARG 4 2HH1 ARG 4 -5.540 9.824 4.487 32 1HH2 ARG 4 1HH2 ARG 4 -6.394 10.199 1.093 33 2HH2 ARG 4 2HH2 ARG 4 -7.864 9.292 1.212 34 H ARG 5 H ARG 5 -8.986 2.131 3.912 35 HA ARG 5 HA ARG 5 -10.640 2.193 6.051 36 2HB ARG 5 2HB ARG 5 -12.457 3.177 4.848 37 2HG ARG 5 2HG ARG 5 -12.794 1.306 2.641 38 2HD ARG 5 2HD ARG 5 -12.989 3.331 1.341 39 HE ARG 5 HE ARG 5 -14.214 3.321 3.982 40 1HH1 ARG 5 1HH1 ARG 5 -16.637 5.685 3.133 41 2HH1 ARG 5 2HH1 ARG 5 -16.154 4.489 4.289 42 1HH2 ARG 5 1HH2 ARG 5 -15.313 6.102 1.274 43 2HH2 ARG 5 2HH2 ARG 5 -13.841 5.217 1.041 44 H LEU 6 H LEU 6 -9.604 0.699 3.004 45 HA LEU 6 HA LEU 6 -10.425 -1.933 3.650 46 2HB LEU 6 2HB LEU 6 -8.831 -2.523 1.795 47 HG LEU 6 HG LEU 6 -11.029 -0.516 1.372 48 1HD1 LEU 6 1HD1 LEU 6 -10.740 -0.443 -0.954 49 2HD1 LEU 6 2HD1 LEU 6 -9.115 -0.155 -0.288 50 3HD1 LEU 6 3HD1 LEU 6 -9.540 -1.756 -0.940 51 1HD2 LEU 6 1HD2 LEU 6 -10.928 -3.217 0.105 52 2HD2 LEU 6 2HD2 LEU 6 -11.208 -3.118 1.861 53 3HD2 LEU 6 3HD2 LEU 6 -12.312 -2.290 0.735 54 H GLY 7 H GLY 7 -8.175 0.114 5.087 55 1HA GLY 7 1HA GLY 7 -6.586 -0.248 6.637 56 2HA GLY 7 2HA GLY 7 -7.098 -1.922 6.713 57 H ARG 8 H ARG 8 -6.344 -0.956 3.484 58 HA ARG 8 HA ARG 8 -3.623 -1.918 3.827 59 2HB ARG 8 2HB ARG 8 -3.956 -3.074 1.534 60 2HG ARG 8 2HG ARG 8 -5.144 -5.039 2.530 61 2HD ARG 8 2HD ARG 8 -2.753 -3.813 3.487 62 HE ARG 8 HE ARG 8 -4.503 -3.870 5.652 63 1HH1 ARG 8 1HH1 ARG 8 -2.365 -4.937 8.196 64 2HH1 ARG 8 2HH1 ARG 8 -3.854 -4.132 7.827 65 1HH2 ARG 8 1HH2 ARG 8 -1.030 -5.750 6.479 66 2HH2 ARG 8 2HH2 ARG 8 -1.523 -5.551 4.831 67 H LYS 9 H LYS 9 -4.693 0.828 3.620 68 HA LYS 9 HA LYS 9 -3.480 1.564 1.050 69 2HB LYS 9 2HB LYS 9 -5.926 2.768 2.374 70 2HG LYS 9 2HG LYS 9 -4.449 4.532 1.397 71 2HD LYS 9 2HD LYS 9 -4.778 3.891 -1.393 72 2HE LYS 9 2HE LYS 9 -2.077 3.662 -0.883 73 1HZ LYS 9 1HZ LYS 9 -3.405 5.363 -2.159 74 2HZ LYS 9 2HZ LYS 9 -3.435 6.251 -0.789 75 3HZ LYS 9 3HZ LYS 9 -2.008 5.877 -1.491 76 H ILE 10 H ILE 10 -4.333 2.638 4.405 77 HA ILE 10 HA ILE 10 -2.690 4.852 4.472 78 HB ILE 10 HB ILE 10 -3.420 2.980 6.726 79 2HG1 ILE 10 2HG1 ILE 10 -5.317 3.885 5.273 80 1HG2 ILE 10 1HG2 ILE 10 -2.562 5.886 6.764 81 2HG2 ILE 10 2HG2 ILE 10 -3.126 4.945 8.166 82 3HG2 ILE 10 3HG2 ILE 10 -1.614 4.495 7.341 83 1HD1 ILE 10 1HD1 ILE 10 -5.835 5.087 7.907 84 2HD1 ILE 10 2HD1 ILE 10 -6.610 3.684 7.130 85 3HD1 ILE 10 3HD1 ILE 10 -5.092 3.474 8.034 86 H ALA 11 H ALA 11 -1.952 1.493 5.655 87 HA ALA 11 HA ALA 11 0.850 2.203 5.798 88 1HB ALA 11 1HB ALA 11 -0.270 0.851 7.560 89 2HB ALA 11 2HB ALA 11 -0.602 -0.417 6.355 90 3HB ALA 11 3HB ALA 11 1.078 -0.025 6.796 91 H HIS 12 H HIS 12 0.864 -1.005 5.044 92 HA HIS 12 HA HIS 12 1.738 -2.080 3.325 93 2HB HIS 12 2HB HIS 12 0.237 -1.256 1.121 94 HD1 HIS 12 1HD HIS 12 1.146 -3.697 3.585 95 HD2 HIS 12 2HD HIS 12 -2.065 -3.261 0.923 96 HE1 HIS 12 1HE HIS 12 0.105 -6.013 3.335 97 H GLY 13 H GLY 13 3.770 -1.679 2.617 98 1HA GLY 13 1HA GLY 13 5.191 -0.844 0.955 99 2HA GLY 13 2HA GLY 13 4.153 0.553 0.750 100 H VAL 14 H VAL 14 4.166 0.239 4.026 101 HA VAL 14 HA VAL 14 6.715 1.649 4.361 102 HB VAL 14 HB VAL 14 4.462 3.032 4.204 103 1HG1 VAL 14 1HG1 VAL 14 4.518 2.112 7.097 104 2HG1 VAL 14 2HG1 VAL 14 3.560 3.480 6.483 105 3HG1 VAL 14 3HG1 VAL 14 3.228 1.829 5.906 106 1HG2 VAL 14 1HG2 VAL 14 6.691 3.467 6.214 107 2HG2 VAL 14 2HG2 VAL 14 6.599 4.071 4.543 108 3HG2 VAL 14 3HG2 VAL 14 5.486 4.701 5.780 109 H LYS 15 H LYS 15 3.925 -0.081 5.875 110 HA LYS 15 HA LYS 15 5.300 -0.538 8.307 111 2HB LYS 15 2HB LYS 15 2.777 -1.591 7.044 112 2HG LYS 15 2HG LYS 15 4.010 -3.396 8.437 113 2HD LYS 15 2HD LYS 15 3.816 -1.157 10.378 114 2HE LYS 15 2HE LYS 15 2.343 -3.649 10.860 115 1HZ LYS 15 1HZ LYS 15 4.409 -2.893 12.806 116 2HZ LYS 15 2HZ LYS 15 3.292 -4.071 12.985 117 3HZ LYS 15 3HZ LYS 15 4.474 -4.228 11.869 118 H LYS 16 H LYS 16 5.181 -2.125 5.144 119 HA LYS 16 HA LYS 16 6.816 -4.291 6.264 120 2HB LYS 16 2HB LYS 16 5.412 -5.667 5.230 121 2HG LYS 16 2HG LYS 16 3.571 -4.767 3.717 122 2HD LYS 16 2HD LYS 16 2.884 -3.002 5.745 123 2HE LYS 16 2HE LYS 16 2.006 -5.435 4.885 124 1HZ LYS 16 1HZ LYS 16 3.851 -6.174 6.654 125 2HZ LYS 16 2HZ LYS 16 2.525 -6.135 7.605 126 3HZ LYS 16 3HZ LYS 16 2.543 -7.071 6.267 127 H TYR 17 H TYR 17 6.506 -1.734 3.788 128 HA TYR 17 HA TYR 17 9.047 -2.459 2.610 129 2HB TYR 17 2HB TYR 17 8.292 -0.046 1.539 130 HD1 TYR 17 1HD TYR 17 6.910 -3.499 1.788 131 HD2 TYR 17 2HD TYR 17 7.776 -0.179 -0.768 132 HE1 TYR 17 1HE TYR 17 6.391 -4.924 -0.253 133 HE2 TYR 17 2HE TYR 17 7.255 -1.615 -2.798 134 HH TYR 17 HH TYR 17 7.312 -4.661 -2.912 135 H GLY 18 H GLY 18 7.792 0.771 3.673 136 1HA GLY 18 1HA GLY 18 8.829 1.862 5.580 137 2HA GLY 18 2HA GLY 18 10.362 1.174 5.084 138 HA PRO 19 HA PRO 19 10.762 4.231 1.929 139 2HB PRO 19 2HB PRO 19 11.802 2.982 0.300 140 2HG PRO 19 2HG PRO 19 11.203 0.755 0.264 141 2HD PRO 19 2HD PRO 19 10.510 0.483 2.440 142 H THR 20 H THR 20 7.686 2.757 1.870 143 HA THR 20 HA THR 20 6.246 4.272 0.157 144 HB THR 20 HB THR 20 5.791 2.918 2.791 145 HG1 THR 20 1HG THR 20 5.598 2.180 0.419 146 1HG2 THR 20 1HG2 THR 20 4.368 4.756 3.342 147 2HG2 THR 20 2HG2 THR 20 3.967 5.066 1.637 148 3HG2 THR 20 3HG2 THR 20 3.282 3.649 2.467 149 H VAL 21 H VAL 21 7.492 6.291 -0.025 150 HA VAL 21 HA VAL 21 7.861 8.140 1.915 151 HB VAL 21 HB VAL 21 8.693 9.054 0.082 152 1HG1 VAL 21 1HG1 VAL 21 8.525 7.151 -1.281 153 2HG1 VAL 21 2HG1 VAL 21 6.753 7.270 -1.394 154 3HG1 VAL 21 3HG1 VAL 21 7.782 8.443 -2.252 155 1HG2 VAL 21 1HG2 VAL 21 5.787 9.792 -0.271 156 2HG2 VAL 21 2HG2 VAL 21 7.137 10.792 0.318 157 3HG2 VAL 21 3HG2 VAL 21 7.033 10.360 -1.407 158 H LEU 22 H LEU 22 6.535 10.400 1.895 159 HA LEU 22 HA LEU 22 4.494 11.429 2.011 160 2HB LEU 22 2HB LEU 22 2.396 10.216 2.116 161 HG LEU 22 HG LEU 22 4.118 8.956 -0.036 162 1HD1 LEU 22 1HD1 LEU 22 1.639 8.191 0.604 163 2HD1 LEU 22 2HD1 LEU 22 1.236 9.572 -0.444 164 3HD1 LEU 22 3HD1 LEU 22 2.230 8.238 -1.074 165 1HD2 LEU 22 1HD2 LEU 22 4.361 10.960 -0.947 166 2HD2 LEU 22 2HD2 LEU 22 2.592 11.100 -1.078 167 3HD2 LEU 22 3HD2 LEU 22 3.427 11.709 0.371 168 H ARG 23 H ARG 23 5.123 8.490 4.021 169 HA ARG 23 HA ARG 23 4.396 10.110 6.319 170 2HB ARG 23 2HB ARG 23 4.214 7.931 7.538 171 2HG ARG 23 2HG ARG 23 2.486 6.867 5.748 172 2HD ARG 23 2HD ARG 23 2.253 9.420 7.385 173 HE ARG 23 HE ARG 23 0.377 8.535 5.353 174 1HH1 ARG 23 1HH1 ARG 23 -2.265 10.461 6.575 175 2HH1 ARG 23 2HH1 ARG 23 -1.673 9.540 5.233 176 1HH2 ARG 23 1HH2 ARG 23 -0.978 10.674 8.493 177 2HH2 ARG 23 2HH2 ARG 23 0.575 9.914 8.584 178 H ILE 24 H ILE 24 7.064 9.331 4.509 179 HA ILE 24 HA ILE 24 8.795 9.352 6.878 180 HB ILE 24 HB ILE 24 10.410 8.011 5.525 181 2HG1 ILE 24 2HG1 ILE 24 8.942 8.565 3.366 182 1HG2 ILE 24 1HG2 ILE 24 9.267 6.923 7.293 183 2HG2 ILE 24 2HG2 ILE 24 7.757 6.823 6.356 184 3HG2 ILE 24 3HG2 ILE 24 9.163 5.841 5.882 185 1HD1 ILE 24 1HD1 ILE 24 11.011 6.695 4.064 186 2HD1 ILE 24 2HD1 ILE 24 9.886 5.884 2.949 187 3HD1 ILE 24 3HD1 ILE 24 10.664 7.411 2.471 188 H ILE 25 H ILE 25 8.238 10.251 3.445 189 HA ILE 25 HA ILE 25 10.322 12.292 3.772 190 HB ILE 25 HB ILE 25 9.349 11.776 1.065 191 2HG1 ILE 25 2HG1 ILE 25 9.101 9.506 1.734 192 1HG2 ILE 25 1HG2 ILE 25 11.606 12.842 2.324 193 2HG2 ILE 25 2HG2 ILE 25 12.170 11.336 1.561 194 3HG2 ILE 25 3HG2 ILE 25 11.360 12.583 0.581 195 1HD1 ILE 25 1HD1 ILE 25 10.624 8.442 0.286 196 2HD1 ILE 25 2HD1 ILE 25 10.657 10.120 -0.306 197 3HD1 ILE 25 3HD1 ILE 25 11.963 9.522 0.744 198 H ARG 26 H ARG 26 6.911 11.606 3.261 199 HA ARG 26 HA ARG 26 5.191 12.872 2.824 200 2HB ARG 26 2HB ARG 26 4.765 14.374 4.552 201 2HG ARG 26 2HG ARG 26 7.205 13.997 6.042 202 2HD ARG 26 2HD ARG 26 5.423 12.019 6.868 203 HE ARG 26 HE ARG 26 6.137 14.672 7.744 204 1HH1 ARG 26 1HH1 ARG 26 4.381 14.510 10.754 205 2HH1 ARG 26 2HH1 ARG 26 5.605 15.347 9.861 206 1HH2 ARG 26 1HH2 ARG 26 3.283 12.700 9.804 207 2HH2 ARG 26 2HH2 ARG 26 3.687 12.187 8.199 208 H ILE 27 H ILE 27 7.694 13.296 1.068 209 HA ILE 27 HA ILE 27 6.930 15.943 0.045 210 HB ILE 27 HB ILE 27 9.641 14.612 0.012 211 2HG1 ILE 27 2HG1 ILE 27 8.400 16.085 2.044 212 1HG2 ILE 27 1HG2 ILE 27 9.239 15.852 -2.053 213 2HG2 ILE 27 2HG2 ILE 27 8.774 17.290 -1.112 214 3HG2 ILE 27 3HG2 ILE 27 10.443 16.677 -1.033 215 1HD1 ILE 27 1HD1 ILE 27 10.361 15.616 3.182 216 2HD1 ILE 27 2HD1 ILE 27 10.571 14.499 1.811 217 3HD1 ILE 27 3HD1 ILE 27 11.393 16.078 1.807 218 H ALA 28 H ALA 28 8.353 12.725 -0.860 219 HA ALA 28 HA ALA 28 8.091 11.465 -2.658 220 1HB ALA 28 1HB ALA 28 5.533 12.328 -1.928 221 2HB ALA 28 2HB ALA 28 5.601 12.623 -3.682 222 3HB ALA 28 3HB ALA 28 5.918 10.992 -3.039 223 H GLY 29 H GLY 29 9.585 13.966 -2.839 224 1HA GLY 29 1HA GLY 29 9.014 15.470 -5.111 225 2HA GLY 29 2HA GLY 29 10.594 15.235 -4.393 Start of MODEL 7 1 H ARG 1 H ARG 1 -2.439 10.473 4.477 2 HA ARG 1 HA ARG 1 -4.656 11.120 4.569 3 2HB ARG 1 2HB ARG 1 -5.329 12.636 2.390 4 2HG ARG 1 2HG ARG 1 -4.260 14.409 4.450 5 2HD ARG 1 2HD ARG 1 -7.154 13.557 4.237 6 HE ARG 1 HE ARG 1 -6.464 16.373 4.215 7 1HH1 ARG 1 1HH1 ARG 1 -7.005 16.819 7.634 8 2HH1 ARG 1 2HH1 ARG 1 -6.795 17.611 6.107 9 1HH2 ARG 1 1HH2 ARG 1 -6.949 14.503 7.757 10 2HH2 ARG 1 2HH2 ARG 1 -6.698 13.565 6.323 11 H GLY 2 H GLY 2 -6.395 10.992 2.415 12 1HA GLY 2 1HA GLY 2 -6.578 9.961 0.244 13 2HA GLY 2 2HA GLY 2 -5.302 8.849 0.695 14 H LEU 3 H LEU 3 -8.670 9.278 0.477 15 HA LEU 3 HA LEU 3 -10.441 8.272 1.405 16 2HB LEU 3 2HB LEU 3 -9.857 5.634 1.441 17 HG LEU 3 HG LEU 3 -11.388 6.974 -0.172 18 1HD1 LEU 3 1HD1 LEU 3 -9.666 8.261 -1.296 19 2HD1 LEU 3 2HD1 LEU 3 -8.881 6.768 -1.863 20 3HD1 LEU 3 3HD1 LEU 3 -10.500 7.203 -2.458 21 1HD2 LEU 3 1HD2 LEU 3 -10.301 4.744 -1.738 22 2HD2 LEU 3 2HD2 LEU 3 -10.610 4.344 -0.032 23 3HD2 LEU 3 3HD2 LEU 3 -11.923 4.988 -1.047 24 H ARG 4 H ARG 4 -8.472 5.693 2.807 25 HA ARG 4 HA ARG 4 -7.808 5.308 4.862 26 2HB ARG 4 2HB ARG 4 -9.187 7.801 5.942 27 2HG ARG 4 2HG ARG 4 -7.419 7.726 7.613 28 2HD ARG 4 2HD ARG 4 -8.310 4.839 7.182 29 HE ARG 4 HE ARG 4 -6.942 6.125 9.327 30 1HH1 ARG 4 1HH1 ARG 4 -7.981 3.968 11.867 31 2HH1 ARG 4 2HH1 ARG 4 -6.824 5.169 11.399 32 1HH2 ARG 4 1HH2 ARG 4 -9.649 3.327 10.387 33 2HH2 ARG 4 2HH2 ARG 4 -9.739 4.053 8.816 34 H ARG 5 H ARG 5 -9.403 3.556 4.618 35 HA ARG 5 HA ARG 5 -11.297 3.601 6.669 36 2HB ARG 5 2HB ARG 5 -12.443 3.506 3.833 37 2HG ARG 5 2HG ARG 5 -14.464 4.031 5.719 38 2HD ARG 5 2HD ARG 5 -13.983 1.181 4.912 39 HE ARG 5 HE ARG 5 -16.252 1.548 5.476 40 1HH1 ARG 5 1HH1 ARG 5 -18.610 3.519 3.821 41 2HH1 ARG 5 2HH1 ARG 5 -18.367 2.281 5.008 42 1HH2 ARG 5 1HH2 ARG 5 -16.792 4.430 2.705 43 2HH2 ARG 5 2HH2 ARG 5 -15.189 3.875 3.060 44 H LEU 6 H LEU 6 -10.044 2.202 3.616 45 HA LEU 6 HA LEU 6 -11.057 -0.403 4.099 46 2HB LEU 6 2HB LEU 6 -9.430 -1.011 2.284 47 HG LEU 6 HG LEU 6 -11.475 1.153 1.874 48 1HD1 LEU 6 1HD1 LEU 6 -10.333 0.009 -0.592 49 2HD1 LEU 6 2HD1 LEU 6 -10.883 1.664 -0.230 50 3HD1 LEU 6 3HD1 LEU 6 -9.264 1.133 0.282 51 1HD2 LEU 6 1HD2 LEU 6 -12.268 -1.118 2.239 52 2HD2 LEU 6 2HD2 LEU 6 -12.598 -0.600 0.568 53 3HD2 LEU 6 3HD2 LEU 6 -11.249 -1.711 0.905 54 H GLY 7 H GLY 7 -8.782 1.438 5.741 55 1HA GLY 7 1HA GLY 7 -7.254 0.928 7.307 56 2HA GLY 7 2HA GLY 7 -7.900 -0.701 7.330 57 H ARG 8 H ARG 8 -6.923 0.318 4.163 58 HA ARG 8 HA ARG 8 -4.218 -0.543 4.529 59 2HB ARG 8 2HB ARG 8 -4.831 -2.125 2.356 60 2HG ARG 8 2HG ARG 8 -4.804 -2.746 5.333 61 2HD ARG 8 2HD ARG 8 -4.303 -5.138 3.921 62 HE ARG 8 HE ARG 8 -6.066 -4.266 5.968 63 1HH1 ARG 8 1HH1 ARG 8 -7.881 -7.224 6.328 64 2HH1 ARG 8 2HH1 ARG 8 -7.449 -5.718 7.065 65 1HH2 ARG 8 1HH2 ARG 8 -7.057 -7.768 4.228 66 2HH2 ARG 8 2HH2 ARG 8 -6.009 -6.668 3.397 67 H LYS 9 H LYS 9 -4.972 1.994 3.884 68 HA LYS 9 HA LYS 9 -4.456 2.114 0.997 69 2HB LYS 9 2HB LYS 9 -6.334 3.898 2.574 70 2HG LYS 9 2HG LYS 9 -4.897 4.296 0.089 71 2HD LYS 9 2HD LYS 9 -7.914 4.454 -0.246 72 2HE LYS 9 2HE LYS 9 -6.049 5.701 -1.689 73 1HZ LYS 9 1HZ LYS 9 -4.934 4.414 -3.093 74 2HZ LYS 9 2HZ LYS 9 -5.255 3.183 -2.071 75 3HZ LYS 9 3HZ LYS 9 -6.190 3.414 -3.390 76 H ILE 10 H ILE 10 -4.214 3.684 4.236 77 HA ILE 10 HA ILE 10 -2.618 5.803 3.556 78 HB ILE 10 HB ILE 10 -2.529 4.121 6.063 79 2HG1 ILE 10 2HG1 ILE 10 -4.797 5.025 5.288 80 1HG2 ILE 10 1HG2 ILE 10 -1.654 6.981 5.577 81 2HG2 ILE 10 2HG2 ILE 10 -1.706 6.157 7.154 82 3HG2 ILE 10 3HG2 ILE 10 -0.592 5.589 5.888 83 1HD1 ILE 10 1HD1 ILE 10 -4.651 6.380 7.790 84 2HD1 ILE 10 2HD1 ILE 10 -5.199 4.713 7.491 85 3HD1 ILE 10 3HD1 ILE 10 -3.493 5.032 7.882 86 H ALA 11 H ALA 11 -1.568 2.471 4.556 87 HA ALA 11 HA ALA 11 0.626 2.611 2.726 88 1HB ALA 11 1HB ALA 11 1.156 3.851 5.073 89 2HB ALA 11 2HB ALA 11 1.548 2.176 5.529 90 3HB ALA 11 3HB ALA 11 2.382 2.941 4.156 91 H HIS 12 H HIS 12 2.051 0.503 3.126 92 HA HIS 12 HA HIS 12 0.752 -1.609 4.485 93 2HB HIS 12 2HB HIS 12 -0.637 -1.184 2.325 94 HD1 HIS 12 1HD HIS 12 2.662 -1.057 1.357 95 HD2 HIS 12 2HD HIS 12 -0.558 -3.334 -0.070 96 HE1 HIS 12 1HE HIS 12 3.272 -1.745 -1.024 97 H GLY 13 H GLY 13 2.782 -1.022 1.519 98 1HA GLY 13 1HA GLY 13 4.592 -3.122 2.130 99 2HA GLY 13 2HA GLY 13 4.791 -1.858 0.933 100 H VAL 14 H VAL 14 4.144 0.060 3.435 101 HA VAL 14 HA VAL 14 6.806 0.802 3.858 102 HB VAL 14 HB VAL 14 5.033 2.383 4.028 103 1HG1 VAL 14 1HG1 VAL 14 3.912 0.507 6.112 104 2HG1 VAL 14 2HG1 VAL 14 3.447 2.225 6.062 105 3HG1 VAL 14 3HG1 VAL 14 3.126 1.176 4.661 106 1HG2 VAL 14 1HG2 VAL 14 6.122 3.557 5.585 107 2HG2 VAL 14 2HG2 VAL 14 5.544 2.488 6.885 108 3HG2 VAL 14 3HG2 VAL 14 7.020 2.075 5.981 109 H LYS 15 H LYS 15 4.555 -1.361 5.616 110 HA LYS 15 HA LYS 15 6.079 -1.592 7.947 111 2HB LYS 15 2HB LYS 15 4.773 -3.770 8.177 112 2HG LYS 15 2HG LYS 15 4.005 -1.090 8.475 113 2HD LYS 15 2HD LYS 15 2.153 -2.557 6.612 114 2HE LYS 15 2HE LYS 15 1.312 -1.337 9.167 115 1HZ LYS 15 1HZ LYS 15 0.825 0.104 6.846 116 2HZ LYS 15 2HZ LYS 15 -0.592 -0.558 7.319 117 3HZ LYS 15 3HZ LYS 15 0.251 0.390 8.348 118 H LYS 16 H LYS 16 6.601 -2.715 4.694 119 HA LYS 16 HA LYS 16 8.621 -4.599 5.692 120 2HB LYS 16 2HB LYS 16 7.600 -6.015 4.301 121 2HG LYS 16 2HG LYS 16 5.954 -5.275 2.552 122 2HD LYS 16 2HD LYS 16 4.930 -3.586 4.682 123 2HE LYS 16 2HE LYS 16 4.283 -6.524 4.343 124 1HZ LYS 16 1HZ LYS 16 2.039 -5.381 4.455 125 2HZ LYS 16 2HZ LYS 16 2.916 -5.452 5.831 126 3HZ LYS 16 3HZ LYS 16 2.848 -4.063 4.978 127 H TYR 17 H TYR 17 7.932 -1.871 3.445 128 HA TYR 17 HA TYR 17 10.707 -1.706 2.685 129 2HB TYR 17 2HB TYR 17 9.484 0.556 1.753 130 HD1 TYR 17 1HD TYR 17 7.072 -0.910 0.111 131 HD2 TYR 17 2HD TYR 17 11.249 -1.600 0.720 132 HE1 TYR 17 1HE TYR 17 7.201 -2.134 -2.113 133 HE2 TYR 17 2HE TYR 17 11.364 -2.824 -1.506 134 HH TYR 17 HH TYR 17 9.612 -4.132 -2.931 135 H GLY 18 H GLY 18 8.440 0.829 3.950 136 1HA GLY 18 1HA GLY 18 9.354 1.544 6.300 137 2HA GLY 18 2HA GLY 18 10.710 2.068 5.322 138 HA PRO 19 HA PRO 19 8.401 5.453 3.788 139 2HB PRO 19 2HB PRO 19 9.654 5.811 1.889 140 2HG PRO 19 2HG PRO 19 10.615 3.910 0.999 141 2HD PRO 19 2HD PRO 19 10.695 2.579 2.871 142 H THR 20 H THR 20 6.957 3.810 1.099 143 HA THR 20 HA THR 20 4.664 2.848 2.171 144 HB THR 20 HB THR 20 4.156 4.952 3.256 145 HG1 THR 20 1HG THR 20 2.874 4.960 0.621 146 1HG2 THR 20 1HG2 THR 20 4.703 6.202 0.514 147 2HG2 THR 20 2HG2 THR 20 3.918 7.060 1.861 148 3HG2 THR 20 3HG2 THR 20 5.606 6.515 2.014 149 H VAL 21 H VAL 21 6.153 4.831 -0.393 150 HA VAL 21 HA VAL 21 4.320 4.284 -2.401 151 HB VAL 21 HB VAL 21 5.958 5.068 -3.876 152 1HG1 VAL 21 1HG1 VAL 21 7.238 6.626 -1.833 153 2HG1 VAL 21 2HG1 VAL 21 5.935 7.096 -2.951 154 3HG1 VAL 21 3HG1 VAL 21 5.538 6.364 -1.377 155 1HG2 VAL 21 1HG2 VAL 21 7.756 3.496 -2.286 156 2HG2 VAL 21 2HG2 VAL 21 8.021 4.228 -3.886 157 3HG2 VAL 21 3HG2 VAL 21 8.395 5.153 -2.412 158 H LEU 22 H LEU 22 6.443 3.095 -4.285 159 HA LEU 22 HA LEU 22 7.037 1.117 -5.067 160 2HB LEU 22 2HB LEU 22 7.485 -0.750 -3.516 161 HG LEU 22 HG LEU 22 8.808 1.772 -3.459 162 1HD1 LEU 22 1HD1 LEU 22 9.096 2.373 -1.340 163 2HD1 LEU 22 2HD1 LEU 22 7.802 1.229 -0.911 164 3HD1 LEU 22 3HD1 LEU 22 9.504 0.711 -0.853 165 1HD2 LEU 22 1HD2 LEU 22 10.361 -0.375 -2.312 166 2HD2 LEU 22 2HD2 LEU 22 9.408 -0.960 -3.699 167 3HD2 LEU 22 3HD2 LEU 22 10.514 0.422 -3.897 168 H ARG 23 H ARG 23 5.967 -0.514 -6.183 169 HA ARG 23 HA ARG 23 4.236 -1.500 -7.033 170 2HB ARG 23 2HB ARG 23 2.650 -2.600 -5.157 171 2HG ARG 23 2HG ARG 23 4.807 -4.136 -4.628 172 2HD ARG 23 2HD ARG 23 3.267 -3.826 -7.232 173 HE ARG 23 HE ARG 23 5.710 -5.246 -7.007 174 1HH1 ARG 23 1HH1 ARG 23 5.011 -7.790 -9.289 175 2HH1 ARG 23 2HH1 ARG 23 6.257 -6.948 -8.431 176 1HH2 ARG 23 1HH2 ARG 23 2.789 -7.194 -8.994 177 2HH2 ARG 23 2HH2 ARG 23 2.375 -5.904 -7.913 178 H ILE 24 H ILE 24 3.951 1.418 -5.704 179 HA ILE 24 HA ILE 24 1.130 1.624 -6.407 180 HB ILE 24 HB ILE 24 0.687 3.040 -4.456 181 2HG1 ILE 24 2HG1 ILE 24 3.299 3.420 -4.169 182 1HG2 ILE 24 1HG2 ILE 24 0.021 0.706 -4.420 183 2HG2 ILE 24 2HG2 ILE 24 1.622 0.231 -3.806 184 3HG2 ILE 24 3HG2 ILE 24 0.543 1.225 -2.799 185 1HD1 ILE 24 1HD1 ILE 24 2.659 3.697 -1.564 186 2HD1 ILE 24 2HD1 ILE 24 2.031 4.802 -2.810 187 3HD1 ILE 24 3HD1 ILE 24 1.020 3.464 -2.215 188 H ILE 25 H ILE 25 4.150 3.367 -5.409 189 HA ILE 25 HA ILE 25 3.512 5.312 -7.517 190 HB ILE 25 HB ILE 25 5.305 6.196 -5.373 191 2HG1 ILE 25 2HG1 ILE 25 4.034 5.147 -3.773 192 1HG2 ILE 25 1HG2 ILE 25 3.908 8.219 -5.544 193 2HG2 ILE 25 2HG2 ILE 25 4.533 7.690 -7.124 194 3HG2 ILE 25 3HG2 ILE 25 2.837 7.371 -6.685 195 1HD1 ILE 25 1HD1 ILE 25 3.846 7.663 -3.523 196 2HD1 ILE 25 2HD1 ILE 25 2.283 7.575 -4.366 197 3HD1 ILE 25 3HD1 ILE 25 2.493 6.763 -2.797 198 H ARG 26 H ARG 26 5.829 3.109 -6.005 199 HA ARG 26 HA ARG 26 7.900 2.601 -6.470 200 2HB ARG 26 2HB ARG 26 8.029 1.482 -8.496 201 2HG ARG 26 2HG ARG 26 5.353 2.237 -9.433 202 2HD ARG 26 2HD ARG 26 5.456 -0.296 -8.046 203 HE ARG 26 HE ARG 26 4.231 -0.338 -10.070 204 1HH1 ARG 26 1HH1 ARG 26 5.442 -0.325 -13.344 205 2HH1 ARG 26 2HH1 ARG 26 4.062 -0.601 -12.334 206 1HH2 ARG 26 1HH2 ARG 26 7.464 0.310 -12.396 207 2HH2 ARG 26 2HH2 ARG 26 7.592 0.509 -10.681 208 H ILE 27 H ILE 27 7.182 5.620 -6.468 209 HA ILE 27 HA ILE 27 9.584 6.498 -7.913 210 HB ILE 27 HB ILE 27 6.946 7.927 -7.582 211 2HG1 ILE 27 2HG1 ILE 27 7.795 6.093 -9.520 212 1HG2 ILE 27 1HG2 ILE 27 8.797 9.264 -9.333 213 2HG2 ILE 27 2HG2 ILE 27 7.960 9.875 -7.886 214 3HG2 ILE 27 3HG2 ILE 27 9.530 9.053 -7.725 215 1HD1 ILE 27 1HD1 ILE 27 5.467 7.342 -8.755 216 2HD1 ILE 27 2HD1 ILE 27 5.761 8.104 -10.335 217 3HD1 ILE 27 3HD1 ILE 27 5.626 6.334 -10.213 218 H ALA 28 H ALA 28 7.279 7.320 -5.228 219 HA ALA 28 HA ALA 28 7.638 8.065 -3.176 220 1HB ALA 28 1HB ALA 28 9.634 6.189 -3.604 221 2HB ALA 28 2HB ALA 28 10.544 7.612 -3.040 222 3HB ALA 28 3HB ALA 28 9.234 6.937 -2.040 223 H GLY 29 H GLY 29 7.755 9.857 -5.430 224 1HA GLY 29 1HA GLY 29 9.867 11.760 -4.661 225 2HA GLY 29 2HA GLY 29 8.974 11.742 -6.169 Start of MODEL 8 1 H ARG 1 H ARG 1 -8.963 9.641 10.637 2 HA ARG 1 HA ARG 1 -10.907 11.529 10.237 3 2HB ARG 1 2HB ARG 1 -8.766 12.582 8.857 4 2HG ARG 1 2HG ARG 1 -9.891 13.175 11.181 5 2HD ARG 1 2HD ARG 1 -8.042 12.770 12.990 6 HE ARG 1 HE ARG 1 -10.250 11.074 12.201 7 1HH1 ARG 1 1HH1 ARG 1 -10.269 9.212 15.154 8 2HH1 ARG 1 2HH1 ARG 1 -11.156 9.635 13.729 9 1HH2 ARG 1 1HH2 ARG 1 -8.157 10.106 15.513 10 2HH2 ARG 1 2HH2 ARG 1 -7.470 11.196 14.355 11 H GLY 2 H GLY 2 -12.447 10.520 8.713 12 1HA GLY 2 1HA GLY 2 -13.108 11.161 6.461 13 2HA GLY 2 2HA GLY 2 -11.514 10.681 5.909 14 H LEU 3 H LEU 3 -11.975 8.965 4.542 15 HA LEU 3 HA LEU 3 -13.807 6.921 5.492 16 2HB LEU 3 2HB LEU 3 -13.843 6.127 3.283 17 HG LEU 3 HG LEU 3 -14.173 8.973 3.647 18 1HD1 LEU 3 1HD1 LEU 3 -13.659 8.369 0.766 19 2HD1 LEU 3 2HD1 LEU 3 -13.616 9.919 1.640 20 3HD1 LEU 3 3HD1 LEU 3 -12.280 8.754 1.821 21 1HD2 LEU 3 1HD2 LEU 3 -16.084 8.641 2.199 22 2HD2 LEU 3 2HD2 LEU 3 -15.457 7.060 1.678 23 3HD2 LEU 3 3HD2 LEU 3 -15.970 7.301 3.365 24 H ARG 4 H ARG 4 -12.300 4.878 3.807 25 HA ARG 4 HA ARG 4 -11.076 3.561 5.792 26 2HB ARG 4 2HB ARG 4 -9.590 2.724 3.609 27 2HG ARG 4 2HG ARG 4 -12.461 2.127 4.424 28 2HD ARG 4 2HD ARG 4 -11.788 1.649 1.888 29 HE ARG 4 HE ARG 4 -10.021 -0.172 3.356 30 1HH1 ARG 4 1HH1 ARG 4 -9.054 -1.861 0.458 31 2HH1 ARG 4 2HH1 ARG 4 -8.716 -1.598 2.137 32 1HH2 ARG 4 1HH2 ARG 4 -10.831 -0.762 -0.552 33 2HH2 ARG 4 2HH2 ARG 4 -11.821 0.317 0.372 34 H ARG 5 H ARG 5 -8.899 3.333 6.581 35 HA ARG 5 HA ARG 5 -6.720 4.532 5.427 36 2HB ARG 5 2HB ARG 5 -6.896 6.196 7.786 37 2HG ARG 5 2HG ARG 5 -6.623 6.537 4.810 38 2HD ARG 5 2HD ARG 5 -6.465 9.145 5.724 39 HE ARG 5 HE ARG 5 -9.082 8.376 4.656 40 1HH1 ARG 5 1HH1 ARG 5 -8.135 9.025 1.360 41 2HH1 ARG 5 2HH1 ARG 5 -9.463 8.711 2.427 42 1HH2 ARG 5 1HH2 ARG 5 -5.970 9.104 2.194 43 2HH2 ARG 5 2HH2 ARG 5 -5.682 8.850 3.883 44 H LEU 6 H LEU 6 -8.483 3.492 8.353 45 HA LEU 6 HA LEU 6 -6.118 2.974 9.866 46 2HB LEU 6 2HB LEU 6 -7.740 1.825 11.387 47 HG LEU 6 HG LEU 6 -8.191 4.675 10.548 48 1HD1 LEU 6 1HD1 LEU 6 -10.415 3.949 11.106 49 2HD1 LEU 6 2HD1 LEU 6 -9.834 3.159 12.593 50 3HD1 LEU 6 3HD1 LEU 6 -9.777 4.932 12.447 51 1HD2 LEU 6 1HD2 LEU 6 -6.457 4.870 11.942 52 2HD2 LEU 6 2HD2 LEU 6 -7.637 4.590 13.245 53 3HD2 LEU 6 3HD2 LEU 6 -6.683 3.232 12.602 54 H GLY 7 H GLY 7 -8.579 0.912 8.167 55 1HA GLY 7 1HA GLY 7 -7.568 -1.565 8.613 56 2HA GLY 7 2HA GLY 7 -8.319 -1.067 7.111 57 H ARG 8 H ARG 8 -7.036 -0.545 5.272 58 HA ARG 8 HA ARG 8 -4.203 -0.482 5.607 59 2HB ARG 8 2HB ARG 8 -4.530 -2.911 5.479 60 2HG ARG 8 2HG ARG 8 -5.558 -3.163 2.785 61 2HD ARG 8 2HD ARG 8 -7.054 -3.902 5.323 62 HE ARG 8 HE ARG 8 -8.171 -5.027 3.607 63 1HH1 ARG 8 1HH1 ARG 8 -6.965 -6.956 0.961 64 2HH1 ARG 8 2HH1 ARG 8 -8.376 -6.431 1.816 65 1HH2 ARG 8 1HH2 ARG 8 -4.865 -6.233 1.635 66 2HH2 ARG 8 2HH2 ARG 8 -4.710 -5.168 2.993 67 H LYS 9 H LYS 9 -4.937 1.715 4.775 68 HA LYS 9 HA LYS 9 -5.173 1.613 1.852 69 2HB LYS 9 2HB LYS 9 -6.627 3.501 3.726 70 2HG LYS 9 2HG LYS 9 -5.747 4.016 1.131 71 2HD LYS 9 2HD LYS 9 -8.372 4.001 0.225 72 2HE LYS 9 2HE LYS 9 -5.875 2.952 -0.573 73 1HZ LYS 9 1HZ LYS 9 -7.725 0.865 -1.216 74 2HZ LYS 9 2HZ LYS 9 -6.130 0.778 -0.888 75 3HZ LYS 9 3HZ LYS 9 -7.211 0.854 0.333 76 H ILE 10 H ILE 10 -4.129 3.404 4.802 77 HA ILE 10 HA ILE 10 -2.831 5.497 3.656 78 HB ILE 10 HB ILE 10 -1.958 3.854 6.036 79 2HG1 ILE 10 2HG1 ILE 10 -4.364 4.750 5.958 80 1HG2 ILE 10 1HG2 ILE 10 -1.347 6.753 5.412 81 2HG2 ILE 10 2HG2 ILE 10 -0.765 5.791 6.792 82 3HG2 ILE 10 3HG2 ILE 10 -0.219 5.405 5.143 83 1HD1 ILE 10 1HD1 ILE 10 -3.168 4.090 8.056 84 2HD1 ILE 10 2HD1 ILE 10 -2.503 5.738 8.167 85 3HD1 ILE 10 3HD1 ILE 10 -4.258 5.475 8.310 86 H ALA 11 H ALA 11 -1.498 2.175 4.248 87 HA ALA 11 HA ALA 11 0.042 2.339 1.860 88 1HB ALA 11 1HB ALA 11 1.956 1.872 4.002 89 2HB ALA 11 2HB ALA 11 2.032 3.025 2.649 90 3HB ALA 11 3HB ALA 11 1.208 3.477 4.160 91 H HIS 12 H HIS 12 1.692 0.282 1.977 92 HA HIS 12 HA HIS 12 0.540 -1.832 3.562 93 2HB HIS 12 2HB HIS 12 -0.712 -1.490 1.258 94 HD1 HIS 12 1HD HIS 12 2.834 -2.238 0.876 95 HD2 HIS 12 2HD HIS 12 -0.678 -3.147 -1.228 96 HE1 HIS 12 1HE HIS 12 3.567 -2.966 -1.456 97 H GLY 13 H GLY 13 2.860 -0.732 1.035 98 1HA GLY 13 1HA GLY 13 4.678 -2.913 1.552 99 2HA GLY 13 2HA GLY 13 4.913 -1.548 0.479 100 H VAL 14 H VAL 14 3.960 0.202 2.960 101 HA VAL 14 HA VAL 14 6.572 0.893 3.764 102 HB VAL 14 HB VAL 14 4.384 2.270 3.598 103 1HG1 VAL 14 1HG1 VAL 14 3.155 0.764 5.210 104 2HG1 VAL 14 2HG1 VAL 14 4.170 1.437 6.506 105 3HG1 VAL 14 3HG1 VAL 14 3.078 2.501 5.589 106 1HG2 VAL 14 1HG2 VAL 14 5.230 3.848 5.352 107 2HG2 VAL 14 2HG2 VAL 14 6.377 2.588 5.866 108 3HG2 VAL 14 3HG2 VAL 14 6.483 3.272 4.226 109 H LYS 15 H LYS 15 4.020 -1.235 5.067 110 HA LYS 15 HA LYS 15 5.043 -1.483 7.651 111 2HB LYS 15 2HB LYS 15 3.789 -3.787 7.421 112 2HG LYS 15 2HG LYS 15 3.052 -1.204 8.164 113 2HD LYS 15 2HD LYS 15 1.807 -1.669 5.655 114 2HE LYS 15 2HE LYS 15 -0.624 -1.608 6.356 115 1HZ LYS 15 1HZ LYS 15 -0.230 -3.693 5.713 116 2HZ LYS 15 2HZ LYS 15 1.110 -3.879 6.625 117 3HZ LYS 15 3HZ LYS 15 -0.366 -4.059 7.299 118 H LYS 16 H LYS 16 6.178 -2.644 4.553 119 HA LYS 16 HA LYS 16 8.013 -4.463 5.947 120 2HB LYS 16 2HB LYS 16 7.318 -5.935 4.423 121 2HG LYS 16 2HG LYS 16 5.940 -5.281 2.425 122 2HD LYS 16 2HD LYS 16 4.530 -3.623 4.353 123 2HE LYS 16 2HE LYS 16 2.942 -5.480 4.327 124 1HZ LYS 16 1HZ LYS 16 4.165 -5.494 1.668 125 2HZ LYS 16 2HZ LYS 16 2.582 -5.596 2.058 126 3HZ LYS 16 3HZ LYS 16 3.375 -4.179 2.231 127 H TYR 17 H TYR 17 7.702 -1.790 3.558 128 HA TYR 17 HA TYR 17 10.564 -1.594 3.290 129 2HB TYR 17 2HB TYR 17 9.499 0.641 2.132 130 HD1 TYR 17 1HD TYR 17 8.446 -2.927 1.570 131 HD2 TYR 17 2HD TYR 17 10.386 0.549 0.000 132 HE1 TYR 17 1HE TYR 17 8.952 -4.174 -0.587 133 HE2 TYR 17 2HE TYR 17 10.882 -0.710 -2.153 134 HH TYR 17 HH TYR 17 11.008 -3.738 -2.480 135 H GLY 18 H GLY 18 8.120 0.968 4.067 136 1HA GLY 18 1HA GLY 18 8.210 1.969 6.302 137 2HA GLY 18 2HA GLY 18 9.959 1.898 6.193 138 HA PRO 19 HA PRO 19 10.023 5.473 3.655 139 2HB PRO 19 2HB PRO 19 12.012 5.051 2.572 140 2HG PRO 19 2HG PRO 19 12.486 2.815 2.264 141 2HD PRO 19 2HD PRO 19 11.241 1.895 3.963 142 H THR 20 H THR 20 8.289 2.931 2.070 143 HA THR 20 HA THR 20 7.026 3.954 0.025 144 HB THR 20 HB THR 20 6.235 2.265 2.337 145 HG1 THR 20 1HG THR 20 7.007 1.604 0.167 146 1HG2 THR 20 1HG2 THR 20 4.115 3.499 0.497 147 2HG2 THR 20 2HG2 THR 20 3.851 2.141 1.618 148 3HG2 THR 20 3HG2 THR 20 4.220 3.761 2.255 149 H VAL 21 H VAL 21 6.261 5.008 3.399 150 HA VAL 21 HA VAL 21 4.204 6.652 3.021 151 HB VAL 21 HB VAL 21 4.790 6.864 5.148 152 1HG1 VAL 21 1HG1 VAL 21 7.552 6.203 4.160 153 2HG1 VAL 21 2HG1 VAL 21 7.329 6.799 5.822 154 3HG1 VAL 21 3HG1 VAL 21 6.504 5.314 5.291 155 1HG2 VAL 21 1HG2 VAL 21 6.620 8.967 3.956 156 2HG2 VAL 21 2HG2 VAL 21 4.973 9.180 4.597 157 3HG2 VAL 21 3HG2 VAL 21 6.317 8.805 5.703 158 H LEU 22 H LEU 22 3.991 9.025 2.650 159 HA LEU 22 HA LEU 22 5.679 10.806 1.752 160 2HB LEU 22 2HB LEU 22 5.515 8.655 -0.289 161 HG LEU 22 HG LEU 22 4.656 10.277 -1.741 162 1HD1 LEU 22 1HD1 LEU 22 4.473 12.308 -0.773 163 2HD1 LEU 22 2HD1 LEU 22 6.057 12.197 0.031 164 3HD1 LEU 22 3HD1 LEU 22 5.962 12.632 -1.693 165 1HD2 LEU 22 1HD2 LEU 22 7.676 10.464 -1.869 166 2HD2 LEU 22 2HD2 LEU 22 6.638 9.253 -2.658 167 3HD2 LEU 22 3HD2 LEU 22 6.563 10.956 -3.167 168 H ARG 23 H ARG 23 3.310 9.456 -0.604 169 HA ARG 23 HA ARG 23 1.809 11.869 -0.291 170 2HB ARG 23 2HB ARG 23 0.464 10.942 -2.215 171 2HG ARG 23 2HG ARG 23 3.031 10.348 -3.388 172 2HD ARG 23 2HD ARG 23 1.101 12.684 -3.342 173 HE ARG 23 HE ARG 23 3.919 12.870 -4.079 174 1HH1 ARG 23 1HH1 ARG 23 3.517 15.931 -5.705 175 2HH1 ARG 23 2HH1 ARG 23 4.656 14.804 -5.049 176 1HH2 ARG 23 1HH2 ARG 23 1.243 15.481 -5.598 177 2HH2 ARG 23 2HH2 ARG 23 0.686 14.014 -4.863 178 H ILE 24 H ILE 24 1.978 9.268 1.607 179 HA ILE 24 HA ILE 24 -0.932 9.124 1.987 180 HB ILE 24 HB ILE 24 -0.230 6.815 3.038 181 2HG1 ILE 24 2HG1 ILE 24 2.246 7.489 2.330 182 1HG2 ILE 24 1HG2 ILE 24 -1.800 6.543 1.439 183 2HG2 ILE 24 2HG2 ILE 24 -0.987 7.634 0.291 184 3HG2 ILE 24 3HG2 ILE 24 -0.413 5.962 0.487 185 1HD1 ILE 24 1HD1 ILE 24 1.320 4.655 1.764 186 2HD1 ILE 24 2HD1 ILE 24 2.823 5.200 2.549 187 3HD1 ILE 24 3HD1 ILE 24 1.273 5.320 3.416 188 H ILE 25 H ILE 25 2.331 8.845 3.541 189 HA ILE 25 HA ILE 25 1.061 9.762 6.022 190 HB ILE 25 HB ILE 25 3.797 8.703 6.145 191 2HG1 ILE 25 2HG1 ILE 25 3.146 7.162 4.482 192 1HG2 ILE 25 1HG2 ILE 25 1.235 8.192 7.679 193 2HG2 ILE 25 2HG2 ILE 25 2.823 7.497 8.082 194 3HG2 ILE 25 3HG2 ILE 25 2.579 9.260 8.150 195 1HD1 ILE 25 1HD1 ILE 25 3.266 5.109 5.623 196 2HD1 ILE 25 2HD1 ILE 25 3.914 6.243 6.832 197 3HD1 ILE 25 3HD1 ILE 25 2.231 5.678 6.955 198 H ARG 26 H ARG 26 3.596 10.344 3.579 199 HA ARG 26 HA ARG 26 5.043 11.952 3.329 200 2HB ARG 26 2HB ARG 26 3.868 13.801 2.686 201 2HG ARG 26 2HG ARG 26 1.396 13.193 4.231 202 2HD ARG 26 2HD ARG 26 0.737 12.918 1.621 203 HE ARG 26 HE ARG 26 0.956 15.276 3.357 204 1HH1 ARG 26 1HH1 ARG 26 -1.433 17.048 1.532 205 2HH1 ARG 26 2HH1 ARG 26 -0.511 16.990 2.998 206 1HH2 ARG 26 1HH2 ARG 26 -1.178 15.385 -0.067 207 2HH2 ARG 26 2HH2 ARG 26 -0.066 14.086 0.207 208 H ILE 27 H ILE 27 4.635 10.787 6.223 209 HA ILE 27 HA ILE 27 6.121 12.929 7.578 210 HB ILE 27 HB ILE 27 4.173 10.973 8.802 211 2HG1 ILE 27 2HG1 ILE 27 3.625 13.329 7.391 212 1HG2 ILE 27 1HG2 ILE 27 6.331 12.453 9.946 213 2HG2 ILE 27 2HG2 ILE 27 4.795 13.142 10.526 214 3HG2 ILE 27 3HG2 ILE 27 5.134 11.408 10.749 215 1HD1 ILE 27 1HD1 ILE 27 1.737 12.432 9.536 216 2HD1 ILE 27 2HD1 ILE 27 1.441 12.711 7.803 217 3HD1 ILE 27 3HD1 ILE 27 2.228 11.207 8.341 218 H ALA 28 H ALA 28 5.487 9.361 7.415 219 HA ALA 28 HA ALA 28 6.852 7.629 7.593 220 1HB ALA 28 1HB ALA 28 8.217 9.330 6.028 221 2HB ALA 28 2HB ALA 28 9.340 9.285 7.408 222 3HB ALA 28 3HB ALA 28 8.906 7.778 6.566 223 H GLY 29 H GLY 29 5.880 8.901 9.947 224 1HA GLY 29 1HA GLY 29 7.804 9.490 11.874 225 2HA GLY 29 2HA GLY 29 6.182 8.895 12.172 Start of MODEL 9 1 H ARG 1 H ARG 1 -2.766 13.509 2.508 2 HA ARG 1 HA ARG 1 -0.611 13.285 0.699 3 2HB ARG 1 2HB ARG 1 -0.044 11.395 2.880 4 2HG ARG 1 2HG ARG 1 1.456 12.085 0.915 5 2HD ARG 1 2HD ARG 1 2.887 14.200 1.984 6 HE ARG 1 HE ARG 1 1.161 13.825 -0.294 7 1HH1 ARG 1 1HH1 ARG 1 1.930 16.877 -1.802 8 2HH1 ARG 1 2HH1 ARG 1 1.239 15.306 -2.034 9 1HH2 ARG 1 1HH2 ARG 1 2.776 17.479 0.274 10 2HH2 ARG 1 2HH2 ARG 1 2.715 16.357 1.591 11 H GLY 2 H GLY 2 -3.533 12.718 0.944 12 1HA GLY 2 1HA GLY 2 -3.875 10.464 -0.463 13 2HA GLY 2 2HA GLY 2 -3.762 9.837 1.169 14 H LEU 3 H LEU 3 -6.020 9.132 0.972 15 HA LEU 3 HA LEU 3 -7.799 11.091 2.008 16 2HB LEU 3 2HB LEU 3 -9.456 10.554 0.029 17 HG LEU 3 HG LEU 3 -7.955 12.813 0.669 18 1HD1 LEU 3 1HD1 LEU 3 -6.596 11.849 -1.447 19 2HD1 LEU 3 2HD1 LEU 3 -7.832 12.811 -2.294 20 3HD1 LEU 3 3HD1 LEU 3 -6.770 13.586 -1.092 21 1HD2 LEU 3 1HD2 LEU 3 -10.323 12.176 -1.013 22 2HD2 LEU 3 2HD2 LEU 3 -10.159 13.260 0.390 23 3HD2 LEU 3 3HD2 LEU 3 -9.592 13.787 -1.213 24 H ARG 4 H ARG 4 -6.851 8.862 3.215 25 HA ARG 4 HA ARG 4 -9.244 7.274 3.294 26 2HB ARG 4 2HB ARG 4 -7.872 5.129 3.306 27 2HG ARG 4 2HG ARG 4 -8.931 6.413 1.168 28 2HD ARG 4 2HD ARG 4 -5.959 6.643 0.914 29 HE ARG 4 HE ARG 4 -7.467 5.139 -1.055 30 1HH1 ARG 4 1HH1 ARG 4 -5.071 5.492 -3.566 31 2HH1 ARG 4 2HH1 ARG 4 -6.482 4.629 -3.052 32 1HH2 ARG 4 1HH2 ARG 4 -4.184 7.169 -2.226 33 2HH2 ARG 4 2HH2 ARG 4 -4.932 7.554 -0.714 34 H ARG 5 H ARG 5 -8.532 5.337 5.141 35 HA ARG 5 HA ARG 5 -6.751 6.037 7.073 36 2HB ARG 5 2HB ARG 5 -9.562 7.087 7.677 37 2HG ARG 5 2HG ARG 5 -7.628 7.916 9.613 38 2HD ARG 5 2HD ARG 5 -9.595 5.697 10.174 39 HE ARG 5 HE ARG 5 -9.009 6.645 12.233 40 1HH1 ARG 5 1HH1 ARG 5 -9.026 9.969 13.298 41 2HH1 ARG 5 2HH1 ARG 5 -8.843 8.315 13.784 42 1HH2 ARG 5 1HH2 ARG 5 -9.439 10.485 11.073 43 2HH2 ARG 5 2HH2 ARG 5 -9.564 9.219 9.899 44 H LEU 6 H LEU 6 -8.448 3.901 5.583 45 HA LEU 6 HA LEU 6 -9.855 2.548 7.674 46 2HB LEU 6 2HB LEU 6 -10.134 0.792 5.967 47 HG LEU 6 HG LEU 6 -10.860 3.619 5.347 48 1HD1 LEU 6 1HD1 LEU 6 -11.064 1.359 3.345 49 2HD1 LEU 6 2HD1 LEU 6 -12.018 2.860 3.256 50 3HD1 LEU 6 3HD1 LEU 6 -10.243 2.927 3.149 51 1HD2 LEU 6 1HD2 LEU 6 -12.072 1.385 6.586 52 2HD2 LEU 6 2HD2 LEU 6 -12.767 2.996 6.287 53 3HD2 LEU 6 3HD2 LEU 6 -12.977 1.698 5.086 54 H GLY 7 H GLY 7 -6.570 2.968 6.863 55 1HA GLY 7 1HA GLY 7 -4.920 2.092 8.312 56 2HA GLY 7 2HA GLY 7 -5.869 0.634 8.517 57 H ARG 8 H ARG 8 -6.520 -0.213 5.991 58 HA ARG 8 HA ARG 8 -3.916 -0.916 5.017 59 2HB ARG 8 2HB ARG 8 -5.859 -2.166 3.391 60 2HG ARG 8 2HG ARG 8 -5.445 -4.131 5.040 61 2HD ARG 8 2HD ARG 8 -2.715 -3.399 4.460 62 HE ARG 8 HE ARG 8 -4.158 -5.058 2.534 63 1HH1 ARG 8 1HH1 ARG 8 -3.274 -8.038 4.120 64 2HH1 ARG 8 2HH1 ARG 8 -3.927 -7.327 2.683 65 1HH2 ARG 8 1HH2 ARG 8 -2.634 -6.687 5.895 66 2HH2 ARG 8 2HH2 ARG 8 -2.808 -4.968 5.783 67 H LYS 9 H LYS 9 -4.789 1.847 4.596 68 HA LYS 9 HA LYS 9 -4.926 1.821 1.667 69 2HB LYS 9 2HB LYS 9 -6.623 3.333 1.577 70 2HG LYS 9 2HG LYS 9 -8.263 2.962 3.488 71 2HD LYS 9 2HD LYS 9 -6.960 0.825 1.858 72 2HE LYS 9 2HE LYS 9 -7.757 0.176 4.504 73 1HZ LYS 9 1HZ LYS 9 -9.958 -0.004 4.187 74 2HZ LYS 9 2HZ LYS 9 -9.864 -0.183 2.566 75 3HZ LYS 9 3HZ LYS 9 -9.562 -1.453 3.545 76 H ILE 10 H ILE 10 -3.988 3.563 4.687 77 HA ILE 10 HA ILE 10 -2.579 5.624 3.635 78 HB ILE 10 HB ILE 10 -1.861 3.930 6.030 79 2HG1 ILE 10 2HG1 ILE 10 -4.235 4.892 5.853 80 1HG2 ILE 10 1HG2 ILE 10 0.001 5.350 5.387 81 2HG2 ILE 10 2HG2 ILE 10 -1.074 6.768 5.318 82 3HG2 ILE 10 3HG2 ILE 10 -0.761 5.964 6.875 83 1HD1 ILE 10 1HD1 ILE 10 -4.141 5.730 8.229 84 2HD1 ILE 10 2HD1 ILE 10 -3.320 4.169 8.002 85 3HD1 ILE 10 3HD1 ILE 10 -2.366 5.665 8.138 86 H ALA 11 H ALA 11 -1.350 2.267 4.248 87 HA ALA 11 HA ALA 11 0.280 2.392 1.926 88 1HB ALA 11 1HB ALA 11 1.649 2.513 4.644 89 2HB ALA 11 2HB ALA 11 2.460 2.252 3.081 90 3HB ALA 11 3HB ALA 11 1.650 3.802 3.415 91 H HIS 12 H HIS 12 1.818 0.315 1.991 92 HA HIS 12 HA HIS 12 0.669 -1.767 3.631 93 2HB HIS 12 2HB HIS 12 -0.615 -1.432 1.355 94 HD1 HIS 12 1HD HIS 12 2.921 -2.148 0.890 95 HD2 HIS 12 2HD HIS 12 -0.628 -3.106 -1.131 96 HE1 HIS 12 1HE HIS 12 3.609 -2.875 -1.457 97 H GLY 13 H GLY 13 2.978 -0.720 1.074 98 1HA GLY 13 1HA GLY 13 4.769 -2.925 1.594 99 2HA GLY 13 2HA GLY 13 5.010 -1.580 0.498 100 H VAL 14 H VAL 14 4.097 0.190 2.999 101 HA VAL 14 HA VAL 14 6.726 0.883 3.743 102 HB VAL 14 HB VAL 14 4.664 2.342 3.604 103 1HG1 VAL 14 1HG1 VAL 14 3.038 1.085 4.804 104 2HG1 VAL 14 2HG1 VAL 14 4.088 0.950 6.234 105 3HG1 VAL 14 3HG1 VAL 14 3.385 2.524 5.790 106 1HG2 VAL 14 1HG2 VAL 14 5.412 3.830 5.385 107 2HG2 VAL 14 2HG2 VAL 14 6.274 2.489 6.177 108 3HG2 VAL 14 3HG2 VAL 14 6.813 3.078 4.587 109 H LYS 15 H LYS 15 4.195 -1.226 5.124 110 HA LYS 15 HA LYS 15 5.322 -1.478 7.671 111 2HB LYS 15 2HB LYS 15 3.948 -3.872 6.797 112 2HG LYS 15 2HG LYS 15 2.869 -1.597 8.502 113 2HD LYS 15 2HD LYS 15 2.251 -3.848 9.827 114 2HE LYS 15 2HE LYS 15 0.856 -2.075 8.163 115 1HZ LYS 15 1HZ LYS 15 -0.501 -3.438 6.841 116 2HZ LYS 15 2HZ LYS 15 1.035 -3.842 6.457 117 3HZ LYS 15 3HZ LYS 15 0.148 -4.822 7.414 118 H LYS 16 H LYS 16 6.308 -2.640 4.536 119 HA LYS 16 HA LYS 16 8.119 -4.548 5.839 120 2HB LYS 16 2HB LYS 16 7.337 -5.962 4.305 121 2HG LYS 16 2HG LYS 16 5.926 -5.216 2.359 122 2HD LYS 16 2HD LYS 16 4.660 -3.568 4.421 123 2HE LYS 16 2HE LYS 16 4.073 -6.432 3.542 124 1HZ LYS 16 1HZ LYS 16 2.722 -5.843 5.306 125 2HZ LYS 16 2HZ LYS 16 2.538 -4.296 4.820 126 3HZ LYS 16 3HZ LYS 16 1.794 -5.500 4.007 127 H TYR 17 H TYR 17 7.836 -1.814 3.515 128 HA TYR 17 HA TYR 17 10.684 -1.713 3.138 129 2HB TYR 17 2HB TYR 17 9.674 0.615 2.133 130 HD1 TYR 17 1HD TYR 17 10.342 0.611 -0.082 131 HD2 TYR 17 2HD TYR 17 8.507 -2.908 1.515 132 HE1 TYR 17 1HE TYR 17 10.659 -0.575 -2.309 133 HE2 TYR 17 2HE TYR 17 8.830 -4.082 -0.716 134 HH TYR 17 HH TYR 17 10.894 -2.991 -3.041 135 H GLY 18 H GLY 18 8.348 0.845 4.231 136 1HA GLY 18 1HA GLY 18 8.918 1.504 6.661 137 2HA GLY 18 2HA GLY 18 10.478 1.897 5.968 138 HA PRO 19 HA PRO 19 8.834 5.499 4.099 139 2HB PRO 19 2HB PRO 19 10.412 5.711 2.435 140 2HG PRO 19 2HG PRO 19 11.298 3.717 1.686 141 2HD PRO 19 2HD PRO 19 10.927 2.390 3.527 142 H THR 20 H THR 20 7.681 3.953 1.209 143 HA THR 20 HA THR 20 5.132 3.312 1.927 144 HB THR 20 HB THR 20 4.795 5.579 2.793 145 HG1 THR 20 1HG THR 20 3.806 5.372 0.038 146 1HG2 THR 20 1HG2 THR 20 6.528 6.843 1.570 147 2HG2 THR 20 2HG2 THR 20 5.747 6.460 0.017 148 3HG2 THR 20 3HG2 THR 20 4.933 7.530 1.181 149 H VAL 21 H VAL 21 7.477 4.546 -0.358 150 HA VAL 21 HA VAL 21 6.497 4.720 -2.726 151 HB VAL 21 HB VAL 21 8.614 4.327 -3.185 152 1HG1 VAL 21 1HG1 VAL 21 10.073 2.990 -1.522 153 2HG1 VAL 21 2HG1 VAL 21 9.330 4.505 -0.961 154 3HG1 VAL 21 3HG1 VAL 21 8.614 2.941 -0.503 155 1HG2 VAL 21 1HG2 VAL 21 8.430 1.376 -2.635 156 2HG2 VAL 21 2HG2 VAL 21 7.491 2.092 -3.966 157 3HG2 VAL 21 3HG2 VAL 21 9.263 2.237 -3.951 158 H LEU 22 H LEU 22 5.266 3.662 -4.274 159 HA LEU 22 HA LEU 22 4.790 0.932 -4.318 160 2HB LEU 22 2HB LEU 22 2.206 1.914 -3.480 161 HG LEU 22 HG LEU 22 3.840 -0.458 -3.117 162 1HD1 LEU 22 1HD1 LEU 22 3.844 -0.849 -0.919 163 2HD1 LEU 22 2HD1 LEU 22 3.584 0.902 -0.738 164 3HD1 LEU 22 3HD1 LEU 22 2.196 -0.213 -0.704 165 1HD2 LEU 22 1HD2 LEU 22 1.252 0.202 -3.880 166 2HD2 LEU 22 2HD2 LEU 22 1.916 -1.435 -3.665 167 3HD2 LEU 22 3HD2 LEU 22 1.042 -0.648 -2.330 168 H ARG 23 H ARG 23 4.595 0.751 -6.479 169 HA ARG 23 HA ARG 23 4.140 1.247 -8.542 170 2HB ARG 23 2HB ARG 23 1.596 2.125 -8.804 171 2HG ARG 23 2HG ARG 23 0.964 -0.367 -7.985 172 2HD ARG 23 2HD ARG 23 2.593 0.501 -10.404 173 HE ARG 23 HE ARG 23 1.355 -2.135 -10.563 174 1HH1 ARG 23 1HH1 ARG 23 4.412 -3.817 -10.599 175 2HH1 ARG 23 2HH1 ARG 23 2.708 -3.950 -10.878 176 1HH2 ARG 23 1HH2 ARG 23 5.321 -1.798 -9.908 177 2HH2 ARG 23 2HH2 ARG 23 4.297 -0.422 -9.670 178 H ILE 24 H ILE 24 4.993 3.558 -6.584 179 HA ILE 24 HA ILE 24 4.351 5.717 -8.469 180 HB ILE 24 HB ILE 24 4.425 7.256 -6.510 181 2HG1 ILE 24 2HG1 ILE 24 5.568 5.350 -5.083 182 1HG2 ILE 24 1HG2 ILE 24 2.162 7.093 -6.146 183 2HG2 ILE 24 2HG2 ILE 24 2.338 6.137 -7.637 184 3HG2 ILE 24 3HG2 ILE 24 2.186 5.315 -6.065 185 1HD1 ILE 24 1HD1 ILE 24 5.033 7.730 -4.379 186 2HD1 ILE 24 2HD1 ILE 24 3.436 7.149 -3.848 187 3HD1 ILE 24 3HD1 ILE 24 4.912 6.535 -3.065 188 H ILE 25 H ILE 25 6.607 4.485 -5.914 189 HA ILE 25 HA ILE 25 8.762 5.777 -7.438 190 HB ILE 25 HB ILE 25 9.410 5.193 -4.678 191 2HG1 ILE 25 2HG1 ILE 25 7.220 5.582 -3.989 192 1HG2 ILE 25 1HG2 ILE 25 9.315 7.928 -5.905 193 2HG2 ILE 25 2HG2 ILE 25 10.497 7.222 -4.779 194 3HG2 ILE 25 3HG2 ILE 25 10.495 6.732 -6.489 195 1HD1 ILE 25 1HD1 ILE 25 8.993 7.253 -3.069 196 2HD1 ILE 25 2HD1 ILE 25 8.211 8.450 -4.129 197 3HD1 ILE 25 3HD1 ILE 25 7.275 7.660 -2.836 198 H ARG 26 H ARG 26 7.616 2.930 -5.585 199 HA ARG 26 HA ARG 26 8.441 0.925 -5.350 200 2HB ARG 26 2HB ARG 26 8.016 -0.154 -7.315 201 2HG ARG 26 2HG ARG 26 8.352 2.366 -8.943 202 2HD ARG 26 2HD ARG 26 5.875 1.457 -9.484 203 HE ARG 26 HE ARG 26 7.354 1.325 -11.332 204 1HH1 ARG 26 1HH1 ARG 26 9.502 -1.289 -12.189 205 2HH1 ARG 26 2HH1 ARG 26 8.731 0.163 -12.738 206 1HH2 ARG 26 1HH2 ARG 26 9.134 -2.055 -10.029 207 2HH2 ARG 26 2HH2 ARG 26 8.090 -1.172 -8.966 208 H ILE 27 H ILE 27 10.449 3.289 -5.189 209 HA ILE 27 HA ILE 27 12.867 1.662 -5.566 210 HB ILE 27 HB ILE 27 12.551 4.651 -5.869 211 2HG1 ILE 27 2HG1 ILE 27 11.984 2.612 -7.703 212 1HG2 ILE 27 1HG2 ILE 27 14.834 4.841 -6.199 213 2HG2 ILE 27 2HG2 ILE 27 14.737 3.669 -4.862 214 3HG2 ILE 27 3HG2 ILE 27 15.044 3.104 -6.522 215 1HD1 ILE 27 1HD1 ILE 27 12.838 5.304 -8.706 216 2HD1 ILE 27 2HD1 ILE 27 11.344 4.391 -9.029 217 3HD1 ILE 27 3HD1 ILE 27 11.534 5.274 -7.495 218 H ALA 28 H ALA 28 11.344 4.367 -3.689 219 HA ALA 28 HA ALA 28 11.241 4.588 -1.454 220 1HB ALA 28 1HB ALA 28 11.793 2.868 -0.058 221 2HB ALA 28 2HB ALA 28 11.943 1.963 -1.583 222 3HB ALA 28 3HB ALA 28 13.393 2.639 -0.800 223 H GLY 29 H GLY 29 12.368 6.514 -2.699 224 1HA GLY 29 1HA GLY 29 15.151 6.797 -1.757 225 2HA GLY 29 2HA GLY 29 14.410 7.674 -3.079 Start of MODEL 10 1 H ARG 1 H ARG 1 -5.239 5.345 17.178 2 HA ARG 1 HA ARG 1 -6.159 5.380 14.942 3 2HB ARG 1 2HB ARG 1 -5.166 7.998 14.648 4 2HG ARG 1 2HG ARG 1 -7.542 6.659 15.672 5 2HD ARG 1 2HD ARG 1 -6.929 9.358 16.958 6 HE ARG 1 HE ARG 1 -9.239 9.148 17.238 7 1HH1 ARG 1 1HH1 ARG 1 -11.187 6.454 18.298 8 2HH1 ARG 1 2HH1 ARG 1 -11.180 8.138 17.895 9 1HH2 ARG 1 1HH2 ARG 1 -9.221 5.224 18.170 10 2HH2 ARG 1 2HH2 ARG 1 -7.749 5.990 17.673 11 H GLY 2 H GLY 2 -5.615 6.636 12.715 12 1HA GLY 2 1HA GLY 2 -3.928 7.195 11.145 13 2HA GLY 2 2HA GLY 2 -2.824 6.091 11.942 14 H LEU 3 H LEU 3 -6.219 5.861 10.639 15 HA LEU 3 HA LEU 3 -5.407 4.014 8.634 16 2HB LEU 3 2HB LEU 3 -5.744 2.875 11.108 17 HG LEU 3 HG LEU 3 -8.230 3.174 10.954 18 1HD1 LEU 3 1HD1 LEU 3 -8.750 1.054 9.083 19 2HD1 LEU 3 2HD1 LEU 3 -9.366 2.725 9.106 20 3HD1 LEU 3 3HD1 LEU 3 -7.830 2.353 8.289 21 1HD2 LEU 3 1HD2 LEU 3 -7.114 1.352 12.242 22 2HD2 LEU 3 2HD2 LEU 3 -8.756 0.954 11.684 23 3HD2 LEU 3 3HD2 LEU 3 -7.341 0.283 10.838 24 H ARG 4 H ARG 4 -6.604 4.702 6.952 25 HA ARG 4 HA ARG 4 -8.611 6.440 7.059 26 2HB ARG 4 2HB ARG 4 -9.184 4.479 4.958 27 2HG ARG 4 2HG ARG 4 -9.449 7.041 4.931 28 2HD ARG 4 2HD ARG 4 -6.922 7.238 5.758 29 HE ARG 4 HE ARG 4 -6.357 6.118 3.321 30 1HH1 ARG 4 1HH1 ARG 4 -3.683 8.035 2.158 31 2HH1 ARG 4 2HH1 ARG 4 -4.509 6.518 2.038 32 1HH2 ARG 4 1HH2 ARG 4 -4.455 9.665 3.622 33 2HH2 ARG 4 2HH2 ARG 4 -5.855 9.360 4.595 34 H ARG 5 H ARG 5 -9.352 2.985 6.202 35 HA ARG 5 HA ARG 5 -11.256 2.785 8.279 36 2HB ARG 5 2HB ARG 5 -12.709 2.329 5.752 37 2HG ARG 5 2HG ARG 5 -13.153 3.877 8.332 38 2HD ARG 5 2HD ARG 5 -15.608 3.952 7.202 39 HE ARG 5 HE ARG 5 -13.501 5.902 7.485 40 1HH1 ARG 5 1HH1 ARG 5 -15.497 8.656 6.708 41 2HH1 ARG 5 2HH1 ARG 5 -14.001 8.131 7.407 42 1HH2 ARG 5 1HH2 ARG 5 -16.990 7.100 5.852 43 2HH2 ARG 5 2HH2 ARG 5 -16.609 5.411 5.912 44 H LEU 6 H LEU 6 -9.983 1.645 5.107 45 HA LEU 6 HA LEU 6 -10.855 -1.035 5.479 46 2HB LEU 6 2HB LEU 6 -9.297 -1.450 3.549 47 HG LEU 6 HG LEU 6 -11.466 0.627 3.365 48 1HD1 LEU 6 1HD1 LEU 6 -11.245 0.678 0.935 49 2HD1 LEU 6 2HD1 LEU 6 -9.781 1.310 1.725 50 3HD1 LEU 6 3HD1 LEU 6 -9.780 -0.329 1.034 51 1HD2 LEU 6 1HD2 LEU 6 -11.137 -2.268 2.647 52 2HD2 LEU 6 2HD2 LEU 6 -12.435 -1.456 3.556 53 3HD2 LEU 6 3HD2 LEU 6 -12.334 -1.268 1.788 54 H GLY 7 H GLY 7 -8.556 0.841 7.074 55 1HA GLY 7 1HA GLY 7 -6.975 0.295 8.581 56 2HA GLY 7 2HA GLY 7 -7.466 -1.383 8.446 57 H ARG 8 H ARG 8 -6.825 -0.205 5.318 58 HA ARG 8 HA ARG 8 -4.001 -0.539 5.460 59 2HB ARG 8 2HB ARG 8 -5.420 -2.433 3.566 60 2HG ARG 8 2HG ARG 8 -2.890 -2.994 5.121 61 2HD ARG 8 2HD ARG 8 -2.531 -3.713 2.470 62 HE ARG 8 HE ARG 8 -2.166 -5.515 3.932 63 1HH1 ARG 8 1HH1 ARG 8 -4.459 -7.468 5.695 64 2HH1 ARG 8 2HH1 ARG 8 -2.810 -7.307 5.196 65 1HH2 ARG 8 1HH2 ARG 8 -6.019 -5.861 5.080 66 2HH2 ARG 8 2HH2 ARG 8 -5.530 -4.503 4.123 67 H LYS 9 H LYS 9 -4.867 1.783 4.754 68 HA LYS 9 HA LYS 9 -5.037 1.751 1.821 69 2HB LYS 9 2HB LYS 9 -6.483 3.609 3.732 70 2HG LYS 9 2HG LYS 9 -5.550 4.321 1.269 71 2HD LYS 9 2HD LYS 9 -8.237 2.935 0.846 72 2HE LYS 9 2HE LYS 9 -6.869 5.170 -0.642 73 1HZ LYS 9 1HZ LYS 9 -8.239 2.890 -1.868 74 2HZ LYS 9 2HZ LYS 9 -8.156 4.347 -2.599 75 3HZ LYS 9 3HZ LYS 9 -6.787 3.522 -2.267 76 H ILE 10 H ILE 10 -3.997 3.467 4.818 77 HA ILE 10 HA ILE 10 -2.653 5.559 3.724 78 HB ILE 10 HB ILE 10 -1.840 3.865 6.090 79 2HG1 ILE 10 2HG1 ILE 10 -4.227 4.796 5.997 80 1HG2 ILE 10 1HG2 ILE 10 0.009 5.166 5.907 81 2HG2 ILE 10 2HG2 ILE 10 -0.833 6.440 4.991 82 3HG2 ILE 10 3HG2 ILE 10 -1.038 6.328 6.756 83 1HD1 ILE 10 1HD1 ILE 10 -2.364 5.720 8.232 84 2HD1 ILE 10 2HD1 ILE 10 -4.129 5.522 8.359 85 3HD1 ILE 10 3HD1 ILE 10 -3.090 4.099 8.106 86 H ALA 11 H ALA 11 -1.389 2.202 4.269 87 HA ALA 11 HA ALA 11 0.179 2.371 1.907 88 1HB ALA 11 1HB ALA 11 1.609 3.739 3.351 89 2HB ALA 11 2HB ALA 11 1.591 2.477 4.603 90 3HB ALA 11 3HB ALA 11 2.387 2.169 3.041 91 H HIS 12 H HIS 12 1.775 0.295 1.973 92 HA HIS 12 HA HIS 12 0.598 -1.819 3.551 93 2HB HIS 12 2HB HIS 12 -0.630 -1.443 1.243 94 HD1 HIS 12 1HD HIS 12 2.916 -2.252 0.893 95 HD2 HIS 12 2HD HIS 12 -0.588 -3.029 -1.277 96 HE1 HIS 12 1HE HIS 12 3.664 -2.944 -1.447 97 H GLY 13 H GLY 13 2.950 -0.742 1.040 98 1HA GLY 13 1HA GLY 13 4.739 -2.943 1.567 99 2HA GLY 13 2HA GLY 13 5.000 -1.575 0.503 100 H VAL 14 H VAL 14 4.034 0.152 3.007 101 HA VAL 14 HA VAL 14 6.648 0.824 3.828 102 HB VAL 14 HB VAL 14 4.500 2.236 3.667 103 1HG1 VAL 14 1HG1 VAL 14 4.140 0.988 6.410 104 2HG1 VAL 14 2HG1 VAL 14 3.328 2.481 5.883 105 3HG1 VAL 14 3HG1 VAL 14 3.009 0.949 5.035 106 1HG2 VAL 14 1HG2 VAL 14 5.298 3.733 5.521 107 2HG2 VAL 14 2HG2 VAL 14 6.422 2.444 6.004 108 3HG2 VAL 14 3HG2 VAL 14 6.574 3.199 4.401 109 H LYS 15 H LYS 15 4.080 -1.306 5.099 110 HA LYS 15 HA LYS 15 5.094 -1.592 7.681 111 2HB LYS 15 2HB LYS 15 3.798 -3.971 6.551 112 2HG LYS 15 2HG LYS 15 3.319 -1.972 8.792 113 2HD LYS 15 2HD LYS 15 1.513 -4.261 7.882 114 2HE LYS 15 2HE LYS 15 1.033 -2.503 10.305 115 1HZ LYS 15 1HZ LYS 15 -0.799 -3.735 9.910 116 2HZ LYS 15 2HZ LYS 15 -0.002 -4.960 9.181 117 3HZ LYS 15 3HZ LYS 15 0.011 -4.833 10.809 118 H LYS 16 H LYS 16 6.248 -2.703 4.574 119 HA LYS 16 HA LYS 16 8.065 -4.555 5.948 120 2HB LYS 16 2HB LYS 16 7.367 -5.998 4.398 121 2HG LYS 16 2HG LYS 16 6.021 -5.299 2.392 122 2HD LYS 16 2HD LYS 16 4.610 -3.661 4.346 123 2HE LYS 16 2HE LYS 16 4.245 -6.556 3.435 124 1HZ LYS 16 1HZ LYS 16 2.168 -4.762 4.417 125 2HZ LYS 16 2HZ LYS 16 2.158 -6.394 4.332 126 3HZ LYS 16 3HZ LYS 16 3.051 -5.640 5.475 127 H TYR 17 H TYR 17 7.778 -1.844 3.601 128 HA TYR 17 HA TYR 17 10.645 -1.653 3.356 129 2HB TYR 17 2HB TYR 17 9.598 0.602 2.223 130 HD1 TYR 17 1HD TYR 17 11.604 -0.866 1.145 131 HD2 TYR 17 2HD TYR 17 7.423 -1.557 0.556 132 HE1 TYR 17 1HE TYR 17 12.104 -2.093 -1.026 133 HE2 TYR 17 2HE TYR 17 7.937 -2.781 -1.612 134 HH TYR 17 HH TYR 17 9.522 -3.089 -3.171 135 H GLY 18 H GLY 18 8.180 0.878 4.184 136 1HA GLY 18 1HA GLY 18 8.404 1.722 6.547 137 2HA GLY 18 2HA GLY 18 10.106 1.919 6.169 138 HA PRO 19 HA PRO 19 9.253 5.527 3.839 139 2HB PRO 19 2HB PRO 19 11.132 5.472 2.509 140 2HG PRO 19 2HG PRO 19 11.919 3.356 2.043 141 2HD PRO 19 2HD PRO 19 11.065 2.198 3.835 142 H THR 20 H THR 20 8.365 3.461 1.124 143 HA THR 20 HA THR 20 6.510 3.417 -0.108 144 HB THR 20 HB THR 20 5.811 2.501 2.256 145 HG1 THR 20 1HG THR 20 4.676 2.329 0.115 146 1HG2 THR 20 1HG2 THR 20 5.290 4.419 3.567 147 2HG2 THR 20 2HG2 THR 20 4.579 5.281 2.181 148 3HG2 THR 20 3HG2 THR 20 3.695 3.934 2.940 149 H VAL 21 H VAL 21 7.890 6.109 0.615 150 HA VAL 21 HA VAL 21 6.042 8.130 0.718 151 HB VAL 21 HB VAL 21 7.782 9.507 0.221 152 1HG1 VAL 21 1HG1 VAL 21 9.635 8.728 1.346 153 2HG1 VAL 21 2HG1 VAL 21 8.424 7.521 1.843 154 3HG1 VAL 21 3HG1 VAL 21 9.587 7.135 0.553 155 1HG2 VAL 21 1HG2 VAL 21 8.284 7.606 -1.995 156 2HG2 VAL 21 2HG2 VAL 21 8.354 9.383 -1.964 157 3HG2 VAL 21 3HG2 VAL 21 9.724 8.428 -1.345 158 H LEU 22 H LEU 22 6.184 9.750 -1.515 159 HA LEU 22 HA LEU 22 5.701 9.876 -3.743 160 2HB LEU 22 2HB LEU 22 4.549 7.106 -3.757 161 HG LEU 22 HG LEU 22 4.379 8.643 -5.787 162 1HD1 LEU 22 1HD1 LEU 22 6.181 9.440 -6.868 163 2HD1 LEU 22 2HD1 LEU 22 6.985 9.224 -5.295 164 3HD1 LEU 22 3HD1 LEU 22 7.151 7.979 -6.555 165 1HD2 LEU 22 1HD2 LEU 22 5.253 5.848 -5.617 166 2HD2 LEU 22 2HD2 LEU 22 3.932 6.590 -6.550 167 3HD2 LEU 22 3HD2 LEU 22 5.595 6.617 -7.184 168 H ARG 23 H ARG 23 3.191 7.575 -2.520 169 HA ARG 23 HA ARG 23 1.215 9.518 -3.136 170 2HB ARG 23 2HB ARG 23 -0.377 7.736 -2.332 171 2HG ARG 23 2HG ARG 23 0.417 5.905 -3.938 172 2HD ARG 23 2HD ARG 23 0.572 7.627 -5.947 173 HE ARG 23 HE ARG 23 -1.601 6.694 -5.650 174 1HH1 ARG 23 1HH1 ARG 23 -4.256 8.069 -3.848 175 2HH1 ARG 23 2HH1 ARG 23 -3.794 6.897 -5.037 176 1HH2 ARG 23 1HH2 ARG 23 -2.648 9.436 -2.880 177 2HH2 ARG 23 2HH2 ARG 23 -0.987 9.282 -3.344 178 H ILE 24 H ILE 24 3.348 9.560 -0.728 179 HA ILE 24 HA ILE 24 1.383 10.531 1.213 180 HB ILE 24 HB ILE 24 3.128 9.643 2.935 181 2HG1 ILE 24 2HG1 ILE 24 4.531 8.831 0.829 182 1HG2 ILE 24 1HG2 ILE 24 1.158 7.804 1.550 183 2HG2 ILE 24 2HG2 ILE 24 1.817 7.600 3.191 184 3HG2 ILE 24 3HG2 ILE 24 0.771 8.991 2.818 185 1HD1 ILE 24 1HD1 ILE 24 4.128 7.246 3.406 186 2HD1 ILE 24 2HD1 ILE 24 5.504 7.041 2.298 187 3HD1 ILE 24 3HD1 ILE 24 5.275 8.584 3.157 188 H ILE 25 H ILE 25 4.781 10.494 0.003 189 HA ILE 25 HA ILE 25 5.047 13.208 1.093 190 HB ILE 25 HB ILE 25 7.455 11.752 0.213 191 2HG1 ILE 25 2HG1 ILE 25 6.262 9.885 1.199 192 1HG2 ILE 25 1HG2 ILE 25 6.741 13.951 1.892 193 2HG2 ILE 25 2HG2 ILE 25 7.601 12.740 2.873 194 3HG2 ILE 25 3HG2 ILE 25 8.357 13.391 1.398 195 1HD1 ILE 25 1HD1 ILE 25 8.757 10.460 1.799 196 2HD1 ILE 25 2HD1 ILE 25 8.098 10.867 3.401 197 3HD1 ILE 25 3HD1 ILE 25 7.908 9.220 2.752 198 H ARG 26 H ARG 26 4.904 11.181 -1.765 199 HA ARG 26 HA ARG 26 5.221 11.563 -3.883 200 2HB ARG 26 2HB ARG 26 3.725 13.136 -4.708 201 2HG ARG 26 2HG ARG 26 2.740 14.168 -2.201 202 2HD ARG 26 2HD ARG 26 1.435 11.717 -3.128 203 HE ARG 26 HE ARG 26 -0.081 13.325 -2.291 204 1HH1 ARG 26 1HH1 ARG 26 -1.015 16.390 -3.673 205 2HH1 ARG 26 2HH1 ARG 26 -1.388 15.187 -2.481 206 1HH2 ARG 26 1HH2 ARG 26 0.811 16.103 -5.076 207 2HH2 ARG 26 2HH2 ARG 26 1.801 14.689 -4.933 208 H ILE 27 H ILE 27 7.417 12.546 -1.893 209 HA ILE 27 HA ILE 27 8.790 14.294 -3.817 210 HB ILE 27 HB ILE 27 9.021 14.289 -0.805 211 2HG1 ILE 27 2HG1 ILE 27 7.052 15.463 -2.415 212 1HG2 ILE 27 1HG2 ILE 27 10.332 16.447 -1.353 213 2HG2 ILE 27 2HG2 ILE 27 11.143 14.878 -1.554 214 3HG2 ILE 27 3HG2 ILE 27 10.516 15.743 -2.977 215 1HD1 ILE 27 1HD1 ILE 27 7.389 14.950 0.209 216 2HD1 ILE 27 2HD1 ILE 27 7.772 16.687 0.233 217 3HD1 ILE 27 3HD1 ILE 27 6.191 16.133 -0.370 218 H ALA 28 H ALA 28 9.211 11.829 -1.189 219 HA ALA 28 HA ALA 28 10.643 10.157 -0.972 220 1HB ALA 28 1HB ALA 28 9.735 9.746 -3.365 221 2HB ALA 28 2HB ALA 28 11.307 10.364 -3.920 222 3HB ALA 28 3HB ALA 28 11.236 8.914 -2.892 223 H GLY 29 H GLY 29 11.497 12.888 -0.501 224 1HA GLY 29 1HA GLY 29 14.167 13.154 -1.576 225 2HA GLY 29 2HA GLY 29 13.354 14.212 -0.438 Start of MODEL 11 1 H ARG 1 H ARG 1 -4.570 -2.322 1.922 2 HA ARG 1 HA ARG 1 -3.164 -2.456 -0.064 3 2HB ARG 1 2HB ARG 1 -5.041 -4.728 -0.860 4 2HG ARG 1 2HG ARG 1 -2.497 -4.840 -2.144 5 2HD ARG 1 2HD ARG 1 -4.937 -5.360 -2.964 6 HE ARG 1 HE ARG 1 -6.142 -3.355 -3.141 7 1HH1 ARG 1 1HH1 ARG 1 -5.388 -0.407 -4.850 8 2HH1 ARG 1 2HH1 ARG 1 -6.608 -1.285 -3.988 9 1HH2 ARG 1 1HH2 ARG 1 -3.281 -1.334 -5.141 10 2HH2 ARG 1 2HH2 ARG 1 -2.927 -2.904 -4.499 11 H GLY 2 H GLY 2 -6.556 -2.728 0.848 12 1HA GLY 2 1HA GLY 2 -7.237 -0.716 -1.203 13 2HA GLY 2 2HA GLY 2 -8.251 -2.122 -0.948 14 H LEU 3 H LEU 3 -10.029 -1.684 0.267 15 HA LEU 3 HA LEU 3 -11.378 -0.654 1.694 16 2HB LEU 3 2HB LEU 3 -10.122 -0.316 4.034 17 HG LEU 3 HG LEU 3 -11.644 -1.967 4.291 18 1HD1 LEU 3 1HD1 LEU 3 -11.760 -3.962 2.639 19 2HD1 LEU 3 2HD1 LEU 3 -12.352 -2.365 2.117 20 3HD1 LEU 3 3HD1 LEU 3 -10.751 -2.937 1.587 21 1HD2 LEU 3 1HD2 LEU 3 -8.945 -3.192 4.168 22 2HD2 LEU 3 2HD2 LEU 3 -10.115 -3.106 5.505 23 3HD2 LEU 3 3HD2 LEU 3 -10.328 -4.312 4.214 24 H ARG 4 H ARG 4 -11.369 1.314 3.513 25 HA ARG 4 HA ARG 4 -9.918 3.472 2.210 26 2HB ARG 4 2HB ARG 4 -12.276 3.603 1.504 27 2HG ARG 4 2HG ARG 4 -12.744 2.788 4.263 28 2HD ARG 4 2HD ARG 4 -14.564 5.038 3.335 29 HE ARG 4 HE ARG 4 -14.690 3.222 5.477 30 1HH1 ARG 4 1HH1 ARG 4 -16.318 5.227 7.824 31 2HH1 ARG 4 2HH1 ARG 4 -15.920 3.606 7.363 32 1HH2 ARG 4 1HH2 ARG 4 -15.602 7.011 6.521 33 2HH2 ARG 4 2HH2 ARG 4 -14.669 6.718 5.091 34 H ARG 5 H ARG 5 -10.165 1.642 4.924 35 HA ARG 5 HA ARG 5 -8.665 3.057 6.536 36 2HB ARG 5 2HB ARG 5 -10.888 3.818 8.111 37 2HG ARG 5 2HG ARG 5 -8.828 5.247 6.433 38 2HD ARG 5 2HD ARG 5 -11.445 6.363 7.192 39 HE ARG 5 HE ARG 5 -9.200 7.261 8.769 40 1HH1 ARG 5 1HH1 ARG 5 -10.614 10.333 9.628 41 2HH1 ARG 5 2HH1 ARG 5 -9.376 9.179 9.996 42 1HH2 ARG 5 1HH2 ARG 5 -12.094 9.930 7.885 43 2HH2 ARG 5 2HH2 ARG 5 -11.960 8.475 6.954 44 H LEU 6 H LEU 6 -11.437 0.965 6.056 45 HA LEU 6 HA LEU 6 -11.622 -0.107 8.647 46 2HB LEU 6 2HB LEU 6 -12.739 -2.012 7.400 47 HG LEU 6 HG LEU 6 -13.681 0.832 7.094 48 1HD1 LEU 6 1HD1 LEU 6 -14.469 -0.346 5.102 49 2HD1 LEU 6 2HD1 LEU 6 -15.160 -1.630 6.124 50 3HD1 LEU 6 3HD1 LEU 6 -15.812 0.023 6.212 51 1HD2 LEU 6 1HD2 LEU 6 -15.569 -0.339 8.541 52 2HD2 LEU 6 2HD2 LEU 6 -14.246 -1.474 8.905 53 3HD2 LEU 6 3HD2 LEU 6 -14.059 0.259 9.270 54 H GLY 7 H GLY 7 -9.293 -0.454 6.061 55 1HA GLY 7 1HA GLY 7 -7.897 -2.484 7.671 56 2HA GLY 7 2HA GLY 7 -8.194 -2.788 5.971 57 H ARG 8 H ARG 8 -6.312 -2.494 4.851 58 HA ARG 8 HA ARG 8 -4.596 -0.341 5.732 59 2HB ARG 8 2HB ARG 8 -3.514 -1.892 3.512 60 2HG ARG 8 2HG ARG 8 -2.522 -0.678 5.746 61 2HD ARG 8 2HD ARG 8 -3.561 -2.892 6.933 62 HE ARG 8 HE ARG 8 -1.535 -4.061 5.422 63 1HH1 ARG 8 1HH1 ARG 8 -0.347 -6.457 7.665 64 2HH1 ARG 8 2HH1 ARG 8 -0.442 -5.982 6.001 65 1HH2 ARG 8 1HH2 ARG 8 -1.330 -5.141 9.305 66 2HH2 ARG 8 2HH2 ARG 8 -2.158 -3.684 8.865 67 H LYS 9 H LYS 9 -4.892 1.613 4.705 68 HA LYS 9 HA LYS 9 -5.421 1.516 1.822 69 2HB LYS 9 2HB LYS 9 -6.928 2.988 3.963 70 2HG LYS 9 2HG LYS 9 -7.770 4.002 1.470 71 2HD LYS 9 2HD LYS 9 -6.390 5.053 3.918 72 2HE LYS 9 2HE LYS 9 -6.365 6.410 1.214 73 1HZ LYS 9 1HZ LYS 9 -5.972 8.252 3.239 74 2HZ LYS 9 2HZ LYS 9 -7.118 8.271 2.076 75 3HZ LYS 9 3HZ LYS 9 -7.421 7.550 3.510 76 H ILE 10 H ILE 10 -4.350 3.513 4.651 77 HA ILE 10 HA ILE 10 -3.149 5.540 3.259 78 HB ILE 10 HB ILE 10 -2.257 4.270 5.850 79 2HG1 ILE 10 2HG1 ILE 10 -4.708 4.979 5.627 80 1HG2 ILE 10 1HG2 ILE 10 -1.375 6.662 4.360 81 2HG2 ILE 10 2HG2 ILE 10 -1.711 6.917 6.088 82 3HG2 ILE 10 3HG2 ILE 10 -0.531 5.686 5.585 83 1HD1 ILE 10 1HD1 ILE 10 -2.737 5.966 7.695 84 2HD1 ILE 10 2HD1 ILE 10 -4.446 6.449 7.816 85 3HD1 ILE 10 3HD1 ILE 10 -4.004 4.726 7.851 86 H ALA 11 H ALA 11 -1.614 2.452 4.409 87 HA ALA 11 HA ALA 11 0.019 2.435 2.035 88 1HB ALA 11 1HB ALA 11 1.054 3.188 4.744 89 2HB ALA 11 2HB ALA 11 2.055 2.104 3.748 90 3HB ALA 11 3HB ALA 11 1.594 3.709 3.129 91 H HIS 12 H HIS 12 1.601 0.392 2.284 92 HA HIS 12 HA HIS 12 0.518 -1.631 3.996 93 2HB HIS 12 2HB HIS 12 -0.924 -1.398 1.796 94 HD1 HIS 12 1HD HIS 12 2.501 -1.812 0.985 95 HD2 HIS 12 2HD HIS 12 -1.043 -3.551 -0.437 96 HE1 HIS 12 1HE HIS 12 3.044 -2.762 -1.322 97 H GLY 13 H GLY 13 2.657 -0.621 1.295 98 1HA GLY 13 1HA GLY 13 4.474 -2.824 1.687 99 2HA GLY 13 2HA GLY 13 4.659 -1.455 0.610 100 H VAL 14 H VAL 14 3.917 0.329 3.112 101 HA VAL 14 HA VAL 14 6.581 0.950 3.767 102 HB VAL 14 HB VAL 14 4.415 2.375 3.735 103 1HG1 VAL 14 1HG1 VAL 14 4.363 1.716 6.679 104 2HG1 VAL 14 2HG1 VAL 14 3.149 2.566 5.694 105 3HG1 VAL 14 3HG1 VAL 14 3.369 0.810 5.514 106 1HG2 VAL 14 1HG2 VAL 14 6.483 3.428 4.194 107 2HG2 VAL 14 2HG2 VAL 14 5.412 3.885 5.541 108 3HG2 VAL 14 3HG2 VAL 14 6.640 2.616 5.772 109 H LYS 15 H LYS 15 4.059 -1.100 5.244 110 HA LYS 15 HA LYS 15 5.271 -1.376 7.749 111 2HB LYS 15 2HB LYS 15 3.269 -2.980 6.169 112 2HG LYS 15 2HG LYS 15 4.400 -3.606 8.939 113 2HD LYS 15 2HD LYS 15 2.573 -5.597 7.966 114 2HE LYS 15 2HE LYS 15 1.219 -4.631 10.013 115 1HZ LYS 15 1HZ LYS 15 2.319 -6.328 10.850 116 2HZ LYS 15 2HZ LYS 15 3.588 -6.135 9.841 117 3HZ LYS 15 3HZ LYS 15 3.540 -5.324 11.258 118 H LYS 16 H LYS 16 6.098 -2.588 4.576 119 HA LYS 16 HA LYS 16 7.940 -4.505 5.823 120 2HB LYS 16 2HB LYS 16 7.065 -5.933 4.354 121 2HG LYS 16 2HG LYS 16 5.570 -5.193 2.466 122 2HD LYS 16 2HD LYS 16 4.444 -3.517 4.596 123 2HE LYS 16 2HE LYS 16 3.699 -6.362 3.795 124 1HZ LYS 16 1HZ LYS 16 2.505 -5.395 5.615 125 2HZ LYS 16 2HZ LYS 16 2.160 -4.048 4.756 126 3HZ LYS 16 3HZ LYS 16 1.516 -5.485 4.319 127 H TYR 17 H TYR 17 7.583 -1.798 3.480 128 HA TYR 17 HA TYR 17 10.419 -1.751 2.976 129 2HB TYR 17 2HB TYR 17 9.383 0.560 1.942 130 HD1 TYR 17 1HD TYR 17 8.694 -3.092 1.578 131 HD2 TYR 17 2HD TYR 17 9.489 0.612 -0.412 132 HE1 TYR 17 1HE TYR 17 8.949 -4.324 -0.631 133 HE2 TYR 17 2HE TYR 17 9.741 -0.634 -2.615 134 HH TYR 17 HH TYR 17 10.170 -3.912 -2.791 135 H GLY 18 H GLY 18 8.208 0.942 3.971 136 1HA GLY 18 1HA GLY 18 8.505 1.939 6.172 137 2HA GLY 18 2HA GLY 18 10.231 1.696 5.997 138 HA PRO 19 HA PRO 19 10.548 5.253 3.449 139 2HB PRO 19 2HB PRO 19 12.413 4.628 2.249 140 2HG PRO 19 2HG PRO 19 12.619 2.356 1.908 141 2HD PRO 19 2HD PRO 19 11.381 1.563 3.675 142 H THR 20 H THR 20 8.265 3.012 2.344 143 HA THR 20 HA THR 20 7.070 4.307 0.256 144 HB THR 20 HB THR 20 6.328 2.373 2.393 145 HG1 THR 20 1HG THR 20 5.629 2.803 -0.425 146 1HG2 THR 20 1HG2 THR 20 3.919 2.416 1.809 147 2HG2 THR 20 2HG2 THR 20 4.377 3.967 2.552 148 3HG2 THR 20 3HG2 THR 20 4.176 3.849 0.788 149 H VAL 21 H VAL 21 7.625 5.612 3.348 150 HA VAL 21 HA VAL 21 5.385 7.034 3.943 151 HB VAL 21 HB VAL 21 6.725 8.267 5.308 152 1HG1 VAL 21 1HG1 VAL 21 8.239 6.823 6.273 153 2HG1 VAL 21 2HG1 VAL 21 7.321 5.693 5.251 154 3HG1 VAL 21 3HG1 VAL 21 8.906 6.298 4.710 155 1HG2 VAL 21 1HG2 VAL 21 8.011 9.730 4.159 156 2HG2 VAL 21 2HG2 VAL 21 9.301 8.543 4.466 157 3HG2 VAL 21 3HG2 VAL 21 8.440 8.537 2.910 158 H LEU 22 H LEU 22 5.787 9.766 3.749 159 HA LEU 22 HA LEU 22 6.042 11.497 2.278 160 2HB LEU 22 2HB LEU 22 5.764 9.668 -0.084 161 HG LEU 22 HG LEU 22 7.166 11.233 -1.234 162 1HD1 LEU 22 1HD1 LEU 22 4.600 11.747 -0.535 163 2HD1 LEU 22 2HD1 LEU 22 5.401 13.225 0.050 164 3HD1 LEU 22 3HD1 LEU 22 5.556 12.745 -1.657 165 1HD2 LEU 22 1HD2 LEU 22 7.417 13.428 0.550 166 2HD2 LEU 22 2HD2 LEU 22 8.006 11.976 1.394 167 3HD2 LEU 22 3HD2 LEU 22 8.701 12.433 -0.179 168 H ARG 23 H ARG 23 4.004 9.150 0.420 169 HA ARG 23 HA ARG 23 1.886 11.034 0.504 170 2HB ARG 23 2HB ARG 23 0.662 9.090 -0.737 171 2HG ARG 23 2HG ARG 23 2.511 9.300 -2.695 172 2HD ARG 23 2HD ARG 23 1.319 11.955 -2.067 173 HE ARG 23 HE ARG 23 0.368 10.471 -4.368 174 1HH1 ARG 23 1HH1 ARG 23 2.675 11.876 -6.578 175 2HH1 ARG 23 2HH1 ARG 23 1.201 10.977 -6.435 176 1HH2 ARG 23 1HH2 ARG 23 3.801 12.568 -4.671 177 2HH2 ARG 23 2HH2 ARG 23 3.170 12.184 -3.104 178 H ILE 24 H ILE 24 3.024 9.222 2.910 179 HA ILE 24 HA ILE 24 0.347 8.602 3.923 180 HB ILE 24 HB ILE 24 1.565 6.654 5.120 181 2HG1 ILE 24 2HG1 ILE 24 3.791 7.552 3.963 182 1HG2 ILE 24 1HG2 ILE 24 -0.062 6.861 2.877 183 2HG2 ILE 24 2HG2 ILE 24 1.261 5.790 2.356 184 3HG2 ILE 24 3HG2 ILE 24 0.300 5.383 3.800 185 1HD1 ILE 24 1HD1 ILE 24 2.995 4.629 4.335 186 2HD1 ILE 24 2HD1 ILE 24 4.669 5.188 4.100 187 3HD1 ILE 24 3HD1 ILE 24 3.758 5.692 5.543 188 H ILE 25 H ILE 25 3.825 9.285 4.583 189 HA ILE 25 HA ILE 25 2.974 10.370 7.176 190 HB ILE 25 HB ILE 25 5.837 9.878 6.683 191 2HG1 ILE 25 2HG1 ILE 25 4.950 7.935 5.532 192 1HG2 ILE 25 1HG2 ILE 25 4.085 10.284 8.871 193 2HG2 ILE 25 2HG2 ILE 25 4.754 8.642 9.031 194 3HG2 ILE 25 3HG2 ILE 25 5.848 10.040 8.893 195 1HD1 ILE 25 1HD1 ILE 25 6.121 6.276 6.731 196 2HD1 ILE 25 2HD1 ILE 25 6.859 7.780 7.334 197 3HD1 ILE 25 3HD1 ILE 25 5.633 6.936 8.310 198 H ARG 26 H ARG 26 4.322 11.023 4.005 199 HA ARG 26 HA ARG 26 5.190 12.796 3.089 200 2HB ARG 26 2HB ARG 26 3.679 14.554 3.005 201 2HG ARG 26 2HG ARG 26 1.692 13.519 4.825 202 2HD ARG 26 2HD ARG 26 1.144 12.499 2.270 203 HE ARG 26 HE ARG 26 0.173 14.616 3.907 204 1HH1 ARG 26 1HH1 ARG 26 -2.234 15.829 1.690 205 2HH1 ARG 26 2HH1 ARG 26 -1.699 15.797 3.337 206 1HH2 ARG 26 1HH2 ARG 26 -1.051 14.671 0.063 207 2HH2 ARG 26 2HH2 ARG 26 0.368 13.775 0.496 208 H ILE 27 H ILE 27 6.272 11.939 5.892 209 HA ILE 27 HA ILE 27 7.666 14.465 6.450 210 HB ILE 27 HB ILE 27 6.902 12.284 8.397 211 2HG1 ILE 27 2HG1 ILE 27 5.323 14.357 7.367 212 1HG2 ILE 27 1HG2 ILE 27 8.143 13.283 10.002 213 2HG2 ILE 27 2HG2 ILE 27 9.106 13.807 8.600 214 3HG2 ILE 27 3HG2 ILE 27 7.917 14.915 9.325 215 1HD1 ILE 27 1HD1 ILE 27 3.697 13.393 8.709 216 2HD1 ILE 27 2HD1 ILE 27 4.914 12.096 8.779 217 3HD1 ILE 27 3HD1 ILE 27 4.784 13.267 10.113 218 H ALA 28 H ALA 28 7.865 10.845 6.600 219 HA ALA 28 HA ALA 28 9.545 9.459 6.219 220 1HB ALA 28 1HB ALA 28 10.993 9.920 4.429 221 2HB ALA 28 2HB ALA 28 9.601 10.980 4.097 222 3HB ALA 28 3HB ALA 28 11.082 11.654 4.819 223 H GLY 29 H GLY 29 9.436 10.969 8.689 224 1HA GLY 29 1HA GLY 29 11.713 12.194 9.552 225 2HA GLY 29 2HA GLY 29 10.703 11.161 10.542 Start of MODEL 12 1 H ARG 1 H ARG 1 -3.929 -4.549 -1.956 2 HA ARG 1 HA ARG 1 -3.891 -5.574 -4.681 3 2HB ARG 1 2HB ARG 1 -6.471 -5.725 -3.202 4 2HG ARG 1 2HG ARG 1 -4.924 -7.224 -5.224 5 2HD ARG 1 2HD ARG 1 -6.700 -9.169 -4.065 6 HE ARG 1 HE ARG 1 -3.824 -9.636 -3.868 7 1HH1 ARG 1 1HH1 ARG 1 -3.653 -11.228 -6.970 8 2HH1 ARG 1 2HH1 ARG 1 -2.826 -10.913 -5.480 9 1HH2 ARG 1 1HH2 ARG 1 -5.773 -10.356 -7.327 10 2HH2 ARG 1 2HH2 ARG 1 -6.529 -9.389 -6.105 11 H GLY 2 H GLY 2 -5.494 -3.371 -2.300 12 1HA GLY 2 1HA GLY 2 -5.791 -1.305 -4.245 13 2HA GLY 2 2HA GLY 2 -7.317 -2.102 -3.926 14 H LEU 3 H LEU 3 -5.863 0.630 -3.161 15 HA LEU 3 HA LEU 3 -6.194 0.463 -0.270 16 2HB LEU 3 2HB LEU 3 -4.166 1.481 -1.228 17 HG LEU 3 HG LEU 3 -5.907 2.928 -2.915 18 1HD1 LEU 3 1HD1 LEU 3 -5.150 5.282 -2.377 19 2HD1 LEU 3 2HD1 LEU 3 -6.377 4.585 -1.292 20 3HD1 LEU 3 3HD1 LEU 3 -4.676 4.670 -0.774 21 1HD2 LEU 3 1HD2 LEU 3 -3.662 4.039 -3.564 22 2HD2 LEU 3 2HD2 LEU 3 -2.948 2.928 -2.371 23 3HD2 LEU 3 3HD2 LEU 3 -3.846 2.280 -3.765 24 H ARG 4 H ARG 4 -8.399 0.356 0.116 25 HA ARG 4 HA ARG 4 -10.044 2.276 -1.262 26 2HB ARG 4 2HB ARG 4 -11.909 1.038 0.058 27 2HG ARG 4 2HG ARG 4 -10.121 -0.675 -1.731 28 2HD ARG 4 2HD ARG 4 -12.863 -0.952 -0.614 29 HE ARG 4 HE ARG 4 -12.966 -2.081 -3.227 30 1HH1 ARG 4 1HH1 ARG 4 -14.742 0.502 -4.760 31 2HH1 ARG 4 2HH1 ARG 4 -14.256 -1.156 -4.871 32 1HH2 ARG 4 1HH2 ARG 4 -14.085 1.786 -2.942 33 2HH2 ARG 4 2HH2 ARG 4 -13.107 1.084 -1.694 34 H ARG 5 H ARG 5 -9.986 1.056 2.172 35 HA ARG 5 HA ARG 5 -9.118 3.075 3.541 36 2HB ARG 5 2HB ARG 5 -10.385 4.847 2.634 37 2HG ARG 5 2HG ARG 5 -12.214 2.724 1.929 38 2HD ARG 5 2HD ARG 5 -13.413 5.091 3.430 39 HE ARG 5 HE ARG 5 -15.294 3.389 2.020 40 1HH1 ARG 5 1HH1 ARG 5 -16.030 5.769 -0.426 41 2HH1 ARG 5 2HH1 ARG 5 -16.523 4.280 0.311 42 1HH2 ARG 5 1HH2 ARG 5 -14.123 6.859 0.322 43 2HH2 ARG 5 2HH2 ARG 5 -13.193 6.183 1.618 44 H LEU 6 H LEU 6 -10.379 0.225 3.331 45 HA LEU 6 HA LEU 6 -12.255 0.135 5.482 46 2HB LEU 6 2HB LEU 6 -12.056 -2.306 5.177 47 HG LEU 6 HG LEU 6 -12.653 -0.531 2.857 48 1HD1 LEU 6 1HD1 LEU 6 -11.473 -3.062 2.426 49 2HD1 LEU 6 2HD1 LEU 6 -13.213 -3.244 2.096 50 3HD1 LEU 6 3HD1 LEU 6 -12.271 -1.999 1.241 51 1HD2 LEU 6 1HD2 LEU 6 -14.411 -2.752 3.792 52 2HD2 LEU 6 2HD2 LEU 6 -14.171 -1.357 4.870 53 3HD2 LEU 6 3HD2 LEU 6 -14.823 -1.113 3.232 54 H GLY 7 H GLY 7 -8.783 0.210 5.146 55 1HA GLY 7 1HA GLY 7 -8.274 0.501 7.846 56 2HA GLY 7 2HA GLY 7 -8.118 -1.213 7.518 57 H ARG 8 H ARG 8 -6.873 -1.632 5.245 58 HA ARG 8 HA ARG 8 -4.367 -0.295 5.648 59 2HB ARG 8 2HB ARG 8 -3.993 -2.085 3.542 60 2HG ARG 8 2HG ARG 8 -3.127 -1.816 6.171 61 2HD ARG 8 2HD ARG 8 -4.905 -3.261 7.065 62 HE ARG 8 HE ARG 8 -4.337 -4.907 4.697 63 1HH1 ARG 8 1HH1 ARG 8 -6.782 -7.247 5.544 64 2HH1 ARG 8 2HH1 ARG 8 -5.711 -6.689 4.302 65 1HH2 ARG 8 1HH2 ARG 8 -6.822 -6.185 7.608 66 2HH2 ARG 8 2HH2 ARG 8 -5.780 -4.833 7.905 67 H LYS 9 H LYS 9 -4.790 1.819 4.747 68 HA LYS 9 HA LYS 9 -5.002 1.777 1.823 69 2HB LYS 9 2HB LYS 9 -6.527 3.533 3.761 70 2HG LYS 9 2HG LYS 9 -6.369 3.775 0.721 71 2HD LYS 9 2HD LYS 9 -8.490 4.472 2.121 72 2HE LYS 9 2HE LYS 9 -7.624 7.139 2.563 73 1HZ LYS 9 1HZ LYS 9 -7.866 6.184 4.959 74 2HZ LYS 9 2HZ LYS 9 -9.171 6.381 3.996 75 3HZ LYS 9 3HZ LYS 9 -8.502 4.901 4.172 76 H ILE 10 H ILE 10 -3.994 3.508 4.823 77 HA ILE 10 HA ILE 10 -2.615 5.580 3.758 78 HB ILE 10 HB ILE 10 -1.826 3.855 6.110 79 2HG1 ILE 10 2HG1 ILE 10 -4.205 4.819 6.014 80 1HG2 ILE 10 1HG2 ILE 10 0.002 5.137 6.146 81 2HG2 ILE 10 2HG2 ILE 10 -0.664 6.286 4.960 82 3HG2 ILE 10 3HG2 ILE 10 -1.083 6.441 6.683 83 1HD1 ILE 10 1HD1 ILE 10 -2.153 5.145 8.188 84 2HD1 ILE 10 2HD1 ILE 10 -3.730 5.942 8.415 85 3HD1 ILE 10 3HD1 ILE 10 -3.650 4.180 8.174 86 H ALA 11 H ALA 11 -1.373 2.211 4.284 87 HA ALA 11 HA ALA 11 0.194 2.375 1.921 88 1HB ALA 11 1HB ALA 11 2.399 2.089 3.141 89 2HB ALA 11 2HB ALA 11 1.686 3.716 3.251 90 3HB ALA 11 3HB ALA 11 1.561 2.597 4.627 91 H HIS 12 H HIS 12 1.786 0.299 1.987 92 HA HIS 12 HA HIS 12 0.611 -1.811 3.572 93 2HB HIS 12 2HB HIS 12 -0.620 -1.439 1.265 94 HD1 HIS 12 1HD HIS 12 2.922 -2.258 0.912 95 HD2 HIS 12 2HD HIS 12 -0.588 -3.024 -1.253 96 HE1 HIS 12 1HE HIS 12 3.664 -2.955 -1.430 97 H GLY 13 H GLY 13 2.957 -0.744 1.053 98 1HA GLY 13 1HA GLY 13 4.745 -2.945 1.581 99 2HA GLY 13 2HA GLY 13 5.005 -1.579 0.514 100 H VAL 14 H VAL 14 4.049 0.155 3.016 101 HA VAL 14 HA VAL 14 6.665 0.825 3.829 102 HB VAL 14 HB VAL 14 4.521 2.241 3.669 103 1HG1 VAL 14 1HG1 VAL 14 3.056 0.905 5.059 104 2HG1 VAL 14 2HG1 VAL 14 4.168 1.053 6.440 105 3HG1 VAL 14 3HG1 VAL 14 3.309 2.489 5.834 106 1HG2 VAL 14 1HG2 VAL 14 6.451 2.445 6.001 107 2HG2 VAL 14 2HG2 VAL 14 6.591 3.209 4.399 108 3HG2 VAL 14 3HG2 VAL 14 5.320 3.735 5.530 109 H LYS 15 H LYS 15 4.096 -1.297 5.113 110 HA LYS 15 HA LYS 15 5.117 -1.579 7.692 111 2HB LYS 15 2HB LYS 15 3.823 -3.805 7.553 112 2HG LYS 15 2HG LYS 15 1.874 -1.762 6.724 113 2HD LYS 15 2HD LYS 15 1.326 -3.641 8.235 114 2HE LYS 15 2HE LYS 15 3.636 -2.490 9.792 115 1HZ LYS 15 1HZ LYS 15 1.444 -3.981 11.048 116 2HZ LYS 15 2HZ LYS 15 2.772 -3.373 11.777 117 3HZ LYS 15 3HZ LYS 15 1.625 -2.366 11.198 118 H LYS 16 H LYS 16 6.261 -2.696 4.586 119 HA LYS 16 HA LYS 16 8.078 -4.549 5.961 120 2HB LYS 16 2HB LYS 16 7.375 -5.994 4.417 121 2HG LYS 16 2HG LYS 16 6.023 -5.300 2.412 122 2HD LYS 16 2HD LYS 16 4.624 -3.652 4.366 123 2HE LYS 16 2HE LYS 16 3.714 -5.294 2.579 124 1HZ LYS 16 1HZ LYS 16 5.088 -7.152 3.321 125 2HZ LYS 16 2HZ LYS 16 4.281 -7.203 4.740 126 3HZ LYS 16 3HZ LYS 16 3.499 -7.525 3.343 127 H TYR 17 H TYR 17 7.789 -1.844 3.604 128 HA TYR 17 HA TYR 17 10.655 -1.659 3.352 129 2HB TYR 17 2HB TYR 17 9.611 0.594 2.215 130 HD1 TYR 17 1HD TYR 17 11.032 0.214 0.377 131 HD2 TYR 17 2HD TYR 17 8.005 -2.659 1.319 132 HE1 TYR 17 1HE TYR 17 11.525 -1.025 -1.787 133 HE2 TYR 17 2HE TYR 17 8.510 -3.889 -0.850 134 HH TYR 17 HH TYR 17 9.499 -3.144 -3.151 135 H GLY 18 H GLY 18 8.198 0.881 4.177 136 1HA GLY 18 1HA GLY 18 8.435 1.727 6.541 137 2HA GLY 18 2HA GLY 18 10.132 1.925 6.153 138 HA PRO 19 HA PRO 19 9.265 5.527 3.819 139 2HB PRO 19 2HB PRO 19 11.138 5.471 2.480 140 2HG PRO 19 2HG PRO 19 11.927 3.353 2.016 141 2HD PRO 19 2HD PRO 19 11.080 2.200 3.816 142 H THR 20 H THR 20 8.374 3.468 1.100 143 HA THR 20 HA THR 20 6.511 3.415 -0.120 144 HB THR 20 HB THR 20 5.824 2.504 2.251 145 HG1 THR 20 1HG THR 20 4.454 1.974 0.545 146 1HG2 THR 20 1HG2 THR 20 5.284 4.403 3.568 147 2HG2 THR 20 2HG2 THR 20 4.609 5.287 2.177 148 3HG2 THR 20 3HG2 THR 20 3.694 3.947 2.911 149 H VAL 21 H VAL 21 7.888 6.110 0.608 150 HA VAL 21 HA VAL 21 6.384 8.231 0.849 151 HB VAL 21 HB VAL 21 8.288 9.091 0.146 152 1HG1 VAL 21 1HG1 VAL 21 9.902 7.683 -1.294 153 2HG1 VAL 21 2HG1 VAL 21 9.497 7.088 0.335 154 3HG1 VAL 21 3HG1 VAL 21 8.715 6.370 -1.095 155 1HG2 VAL 21 1HG2 VAL 21 7.213 8.325 -2.579 156 2HG2 VAL 21 2HG2 VAL 21 7.151 9.909 -1.768 157 3HG2 VAL 21 3HG2 VAL 21 8.703 9.272 -2.361 158 H LEU 22 H LEU 22 4.863 9.505 -0.296 159 HA LEU 22 HA LEU 22 4.019 9.288 -2.826 160 2HB LEU 22 2HB LEU 22 1.866 7.727 -2.001 161 HG LEU 22 HG LEU 22 4.160 7.312 -3.862 162 1HD1 LEU 22 1HD1 LEU 22 2.553 5.091 -2.651 163 2HD1 LEU 22 2HD1 LEU 22 3.025 4.999 -4.363 164 3HD1 LEU 22 3HD1 LEU 22 4.273 5.145 -3.102 165 1HD2 LEU 22 1HD2 LEU 22 2.634 7.894 -5.361 166 2HD2 LEU 22 2HD2 LEU 22 1.570 6.559 -4.858 167 3HD2 LEU 22 3HD2 LEU 22 1.466 8.136 -4.040 168 H ARG 23 H ARG 23 2.110 8.775 0.224 169 HA ARG 23 HA ARG 23 0.824 11.294 -0.368 170 2HB ARG 23 2HB ARG 23 -0.824 10.554 1.402 171 2HG ARG 23 2HG ARG 23 -1.504 8.349 0.154 172 2HD ARG 23 2HD ARG 23 -1.800 9.853 -2.062 173 HE ARG 23 HE ARG 23 -3.303 9.602 0.350 174 1HH1 ARG 23 1HH1 ARG 23 -6.036 11.529 -0.648 175 2HH1 ARG 23 2HH1 ARG 23 -5.460 10.347 0.479 176 1HH2 ARG 23 1HH2 ARG 23 -4.617 12.358 -2.288 177 2HH2 ARG 23 2HH2 ARG 23 -2.982 11.794 -2.383 178 H ILE 24 H ILE 24 3.597 10.496 1.075 179 HA ILE 24 HA ILE 24 3.184 12.371 3.296 180 HB ILE 24 HB ILE 24 5.143 11.007 4.331 181 2HG1 ILE 24 2HG1 ILE 24 5.128 9.590 2.082 182 1HG2 ILE 24 1HG2 ILE 24 3.179 11.128 5.559 183 2HG2 ILE 24 2HG2 ILE 24 2.215 10.321 4.299 184 3HG2 ILE 24 3HG2 ILE 24 3.362 9.379 5.283 185 1HD1 ILE 24 1HD1 ILE 24 6.547 8.175 3.199 186 2HD1 ILE 24 2HD1 ILE 24 6.331 9.341 4.527 187 3HD1 ILE 24 3HD1 ILE 24 5.365 7.844 4.488 188 H ILE 25 H ILE 25 5.461 10.931 0.889 189 HA ILE 25 HA ILE 25 6.973 13.446 1.046 190 HB ILE 25 HB ILE 25 8.290 11.158 -0.213 191 2HG1 ILE 25 2HG1 ILE 25 7.159 9.818 1.402 192 1HG2 ILE 25 1HG2 ILE 25 10.163 12.144 0.586 193 2HG2 ILE 25 2HG2 ILE 25 9.084 13.556 0.700 194 3HG2 ILE 25 3HG2 ILE 25 9.416 12.569 2.146 195 1HD1 ILE 25 1HD1 ILE 25 8.990 8.874 2.506 196 2HD1 ILE 25 2HD1 ILE 25 9.815 9.825 1.248 197 3HD1 ILE 25 3HD1 ILE 25 9.696 10.460 2.907 198 H ARG 26 H ARG 26 5.434 10.968 -1.038 199 HA ARG 26 HA ARG 26 5.006 10.919 -3.169 200 2HB ARG 26 2HB ARG 26 3.329 12.421 -3.556 201 2HG ARG 26 2HG ARG 26 4.203 14.312 -1.397 202 2HD ARG 26 2HD ARG 26 1.709 13.210 -0.787 203 HE ARG 26 HE ARG 26 2.689 15.730 -1.722 204 1HH1 ARG 26 1HH1 ARG 26 -0.379 17.392 -1.703 205 2HH1 ARG 26 2HH1 ARG 26 1.342 17.576 -1.738 206 1HH2 ARG 26 1HH2 ARG 26 -1.318 15.271 -1.644 207 2HH2 ARG 26 2HH2 ARG 26 -0.297 13.871 -1.633 208 H ILE 27 H ILE 27 7.827 11.981 -2.239 209 HA ILE 27 HA ILE 27 8.588 13.022 -4.880 210 HB ILE 27 HB ILE 27 9.820 13.713 -2.209 211 2HG1 ILE 27 2HG1 ILE 27 7.445 14.692 -3.326 212 1HG2 ILE 27 1HG2 ILE 27 10.399 15.273 -4.671 213 2HG2 ILE 27 2HG2 ILE 27 11.439 14.875 -3.284 214 3HG2 ILE 27 3HG2 ILE 27 11.135 13.656 -4.546 215 1HD1 ILE 27 1HD1 ILE 27 7.362 15.898 -1.355 216 2HD1 ILE 27 2HD1 ILE 27 8.680 14.782 -0.924 217 3HD1 ILE 27 3HD1 ILE 27 9.056 16.427 -1.485 218 H ALA 28 H ALA 28 9.652 11.194 -1.938 219 HA ALA 28 HA ALA 28 10.886 9.363 -1.743 220 1HB ALA 28 1HB ALA 28 10.184 7.865 -3.265 221 2HB ALA 28 2HB ALA 28 9.775 9.164 -4.410 222 3HB ALA 28 3HB ALA 28 11.420 8.486 -4.387 223 H GLY 29 H GLY 29 12.072 11.941 -1.774 224 1HA GLY 29 1HA GLY 29 14.596 11.502 -3.241 225 2HA GLY 29 2HA GLY 29 13.969 13.049 -2.702 Start of MODEL 13 1 H ARG 1 H ARG 1 -15.069 2.544 -0.398 2 HA ARG 1 HA ARG 1 -12.871 1.299 -1.460 3 2HB ARG 1 2HB ARG 1 -13.565 2.676 -3.850 4 2HG ARG 1 2HG ARG 1 -13.007 -0.102 -2.963 5 2HD ARG 1 2HD ARG 1 -15.225 0.265 -4.716 6 HE ARG 1 HE ARG 1 -12.883 0.290 -6.294 7 1HH1 ARG 1 1HH1 ARG 1 -14.102 -1.425 -9.078 8 2HH1 ARG 1 2HH1 ARG 1 -12.870 -0.360 -8.483 9 1HH2 ARG 1 1HH2 ARG 1 -15.764 -2.187 -7.649 10 2HH2 ARG 1 2HH2 ARG 1 -15.773 -1.695 -5.989 11 H GLY 2 H GLY 2 -11.685 2.806 -0.244 12 1HA GLY 2 1HA GLY 2 -10.460 4.866 -0.655 13 2HA GLY 2 2HA GLY 2 -11.981 5.637 -1.059 14 H LEU 3 H LEU 3 -13.650 4.500 1.008 15 HA LEU 3 HA LEU 3 -13.613 6.255 2.962 16 2HB LEU 3 2HB LEU 3 -14.154 3.930 4.372 17 HG LEU 3 HG LEU 3 -16.063 5.347 2.493 18 1HD1 LEU 3 1HD1 LEU 3 -17.182 4.253 4.942 19 2HD1 LEU 3 2HD1 LEU 3 -17.697 4.043 3.252 20 3HD1 LEU 3 3HD1 LEU 3 -16.429 2.995 3.932 21 1HD2 LEU 3 1HD2 LEU 3 -14.697 6.424 4.688 22 2HD2 LEU 3 2HD2 LEU 3 -16.124 7.094 3.860 23 3HD2 LEU 3 3HD2 LEU 3 -16.332 6.050 5.287 24 H ARG 4 H ARG 4 -11.701 7.145 3.700 25 HA ARG 4 HA ARG 4 -9.437 5.751 4.257 26 2HB ARG 4 2HB ARG 4 -8.856 7.748 5.735 27 2HG ARG 4 2HG ARG 4 -9.167 9.474 3.908 28 2HD ARG 4 2HD ARG 4 -8.386 7.204 2.234 29 HE ARG 4 HE ARG 4 -6.297 8.885 3.346 30 1HH1 ARG 4 1HH1 ARG 4 -6.392 11.200 0.737 31 2HH1 ARG 4 2HH1 ARG 4 -5.488 10.617 2.095 32 1HH2 ARG 4 1HH2 ARG 4 -8.422 10.221 0.188 33 2HH2 ARG 4 2HH2 ARG 4 -9.035 8.906 1.136 34 H ARG 5 H ARG 5 -9.856 3.797 5.438 35 HA ARG 5 HA ARG 5 -9.457 3.739 8.027 36 2HB ARG 5 2HB ARG 5 -11.395 5.020 8.646 37 2HG ARG 5 2HG ARG 5 -13.057 3.115 6.929 38 2HD ARG 5 2HD ARG 5 -14.026 5.777 7.955 39 HE ARG 5 HE ARG 5 -15.204 3.370 6.845 40 1HH1 ARG 5 1HH1 ARG 5 -18.492 4.362 7.460 41 2HH1 ARG 5 2HH1 ARG 5 -17.472 3.259 6.597 42 1HH2 ARG 5 1HH2 ARG 5 -17.554 5.949 8.868 43 2HH2 ARG 5 2HH2 ARG 5 -15.835 6.033 9.056 44 H LEU 6 H LEU 6 -9.593 2.327 5.297 45 HA LEU 6 HA LEU 6 -11.094 -0.056 5.784 46 2HB LEU 6 2HB LEU 6 -10.170 -0.798 3.678 47 HG LEU 6 HG LEU 6 -11.504 1.781 3.901 48 1HD1 LEU 6 1HD1 LEU 6 -11.017 2.511 1.559 49 2HD1 LEU 6 2HD1 LEU 6 -9.660 2.710 2.694 50 3HD1 LEU 6 3HD1 LEU 6 -9.660 1.358 1.537 51 1HD2 LEU 6 1HD2 LEU 6 -11.643 -0.577 2.017 52 2HD2 LEU 6 2HD2 LEU 6 -12.769 -0.129 3.320 53 3HD2 LEU 6 3HD2 LEU 6 -12.672 0.864 1.847 54 H GLY 7 H GLY 7 -8.071 1.204 6.828 55 1HA GLY 7 1HA GLY 7 -6.838 0.090 8.485 56 2HA GLY 7 2HA GLY 7 -7.330 -1.459 7.828 57 H ARG 8 H ARG 8 -6.787 -1.254 5.105 58 HA ARG 8 HA ARG 8 -3.925 -0.708 5.148 59 2HB ARG 8 2HB ARG 8 -4.954 -2.641 3.116 60 2HG ARG 8 2HG ARG 8 -2.479 -1.996 3.927 61 2HD ARG 8 2HD ARG 8 -3.492 -3.257 6.246 62 HE ARG 8 HE ARG 8 -1.451 -5.135 5.187 63 1HH1 ARG 8 1HH1 ARG 8 -3.584 -7.847 5.711 64 2HH1 ARG 8 2HH1 ARG 8 -1.976 -7.356 5.295 65 1HH2 ARG 8 1HH2 ARG 8 -5.206 -6.247 6.158 66 2HH2 ARG 8 2HH2 ARG 8 -4.808 -4.563 6.075 67 H LYS 9 H LYS 9 -5.103 1.513 4.506 68 HA LYS 9 HA LYS 9 -5.360 1.507 1.579 69 2HB LYS 9 2HB LYS 9 -6.778 3.356 3.518 70 2HG LYS 9 2HG LYS 9 -6.253 4.106 1.087 71 2HD LYS 9 2HD LYS 9 -8.386 2.997 -0.270 72 2HE LYS 9 2HE LYS 9 -5.474 2.865 -0.364 73 1HZ LYS 9 1HZ LYS 9 -5.355 0.648 -0.379 74 2HZ LYS 9 2HZ LYS 9 -6.934 0.416 -0.722 75 3HZ LYS 9 3HZ LYS 9 -5.884 0.782 -1.917 76 H ILE 10 H ILE 10 -4.492 3.495 4.489 77 HA ILE 10 HA ILE 10 -3.210 5.529 3.177 78 HB ILE 10 HB ILE 10 -2.512 4.275 5.835 79 2HG1 ILE 10 2HG1 ILE 10 -4.937 4.990 5.421 80 1HG2 ILE 10 1HG2 ILE 10 -1.978 7.093 4.864 81 2HG2 ILE 10 2HG2 ILE 10 -1.506 6.373 6.422 82 3HG2 ILE 10 3HG2 ILE 10 -0.765 5.790 4.912 83 1HD1 ILE 10 1HD1 ILE 10 -3.903 4.739 7.691 84 2HD1 ILE 10 2HD1 ILE 10 -3.366 6.433 7.606 85 3HD1 ILE 10 3HD1 ILE 10 -5.104 6.050 7.632 86 H ALA 11 H ALA 11 -1.732 2.464 4.455 87 HA ALA 11 HA ALA 11 0.064 2.439 2.203 88 1HB ALA 11 1HB ALA 11 0.853 3.689 4.652 89 2HB ALA 11 2HB ALA 11 1.727 2.141 4.527 90 3HB ALA 11 3HB ALA 11 1.850 3.340 3.218 91 H HIS 12 H HIS 12 1.591 0.410 2.489 92 HA HIS 12 HA HIS 12 0.551 -1.595 4.234 93 2HB HIS 12 2HB HIS 12 -0.991 -1.397 2.110 94 HD1 HIS 12 1HD HIS 12 2.391 -1.738 1.115 95 HD2 HIS 12 2HD HIS 12 -1.183 -3.559 -0.118 96 HE1 HIS 12 1HE HIS 12 2.832 -2.675 -1.218 97 H GLY 13 H GLY 13 2.583 -0.619 1.440 98 1HA GLY 13 1HA GLY 13 4.410 -2.821 1.776 99 2HA GLY 13 2HA GLY 13 4.561 -1.453 0.691 100 H VAL 14 H VAL 14 3.918 0.342 3.209 101 HA VAL 14 HA VAL 14 6.601 0.961 3.767 102 HB VAL 14 HB VAL 14 4.449 2.392 3.822 103 1HG1 VAL 14 1HG1 VAL 14 3.409 0.823 5.577 104 2HG1 VAL 14 2HG1 VAL 14 4.460 1.651 6.752 105 3HG1 VAL 14 3HG1 VAL 14 3.246 2.576 5.835 106 1HG2 VAL 14 1HG2 VAL 14 6.218 2.927 6.191 107 2HG2 VAL 14 2HG2 VAL 14 6.920 2.926 4.554 108 3HG2 VAL 14 3HG2 VAL 14 5.596 4.047 4.954 109 H LYS 15 H LYS 15 4.143 -1.096 5.344 110 HA LYS 15 HA LYS 15 5.465 -1.382 7.791 111 2HB LYS 15 2HB LYS 15 4.023 -3.756 7.200 112 2HG LYS 15 2HG LYS 15 2.658 -1.425 8.493 113 2HD LYS 15 2HD LYS 15 2.312 -4.154 8.544 114 2HE LYS 15 2HE LYS 15 3.871 -3.392 11.061 115 1HZ LYS 15 1HZ LYS 15 2.717 -5.047 11.912 116 2HZ LYS 15 2HZ LYS 15 1.994 -5.410 10.493 117 3HZ LYS 15 3HZ LYS 15 3.440 -6.073 10.867 118 H LYS 16 H LYS 16 6.138 -2.595 4.582 119 HA LYS 16 HA LYS 16 8.031 -4.517 5.739 120 2HB LYS 16 2HB LYS 16 7.092 -5.936 4.299 121 2HG LYS 16 2HG LYS 16 5.508 -5.186 2.492 122 2HD LYS 16 2HD LYS 16 4.480 -3.514 4.667 123 2HE LYS 16 2HE LYS 16 3.766 -6.330 3.720 124 1HZ LYS 16 1HZ LYS 16 2.892 -5.011 5.885 125 2HZ LYS 16 2HZ LYS 16 1.762 -4.610 4.775 126 3HZ LYS 16 3HZ LYS 16 2.062 -6.182 5.105 127 H TYR 17 H TYR 17 7.582 -1.791 3.436 128 HA TYR 17 HA TYR 17 10.386 -1.755 2.791 129 2HB TYR 17 2HB TYR 17 9.324 0.582 1.852 130 HD1 TYR 17 1HD TYR 17 8.281 -2.999 1.428 131 HD2 TYR 17 2HD TYR 17 9.578 0.615 -0.459 132 HE1 TYR 17 1HE TYR 17 8.395 -4.200 -0.811 133 HE2 TYR 17 2HE TYR 17 9.686 -0.597 -2.692 134 HH TYR 17 HH TYR 17 8.539 -3.912 -2.998 135 H GLY 18 H GLY 18 8.248 0.924 3.975 136 1HA GLY 18 1HA GLY 18 8.689 1.863 6.177 137 2HA GLY 18 2HA GLY 18 10.401 1.638 5.876 138 HA PRO 19 HA PRO 19 10.504 5.246 3.370 139 2HB PRO 19 2HB PRO 19 12.228 4.639 1.973 140 2HG PRO 19 2HG PRO 19 12.376 2.376 1.553 141 2HD PRO 19 2HD PRO 19 11.317 1.544 3.416 142 H THR 20 H THR 20 8.243 2.983 2.060 143 HA THR 20 HA THR 20 6.841 4.836 0.461 144 HB THR 20 HB THR 20 6.516 2.059 1.540 145 HG1 THR 20 1HG THR 20 7.202 2.249 -0.599 146 1HG2 THR 20 1HG2 THR 20 4.262 2.566 2.035 147 2HG2 THR 20 2HG2 THR 20 4.205 3.897 0.853 148 3HG2 THR 20 3HG2 THR 20 4.157 2.207 0.296 149 H VAL 21 H VAL 21 7.192 6.582 2.287 150 HA VAL 21 HA VAL 21 5.881 6.731 4.596 151 HB VAL 21 HB VAL 21 6.812 8.717 4.260 152 1HG1 VAL 21 1HG1 VAL 21 6.885 9.743 1.842 153 2HG1 VAL 21 2HG1 VAL 21 7.931 8.366 2.265 154 3HG1 VAL 21 3HG1 VAL 21 6.432 8.095 1.345 155 1HG2 VAL 21 1HG2 VAL 21 4.235 9.272 2.751 156 2HG2 VAL 21 2HG2 VAL 21 4.489 9.405 4.508 157 3HG2 VAL 21 3HG2 VAL 21 5.337 10.511 3.400 158 H LEU 22 H LEU 22 3.754 7.465 5.320 159 HA LEU 22 HA LEU 22 1.557 8.068 4.072 160 2HB LEU 22 2HB LEU 22 0.773 5.415 3.726 161 HG LEU 22 HG LEU 22 0.916 5.920 1.247 162 1HD1 LEU 22 1HD1 LEU 22 -0.867 6.795 3.212 163 2HD1 LEU 22 2HD1 LEU 22 -0.591 8.215 2.175 164 3HD1 LEU 22 3HD1 LEU 22 -1.158 6.687 1.459 165 1HD2 LEU 22 1HD2 LEU 22 2.373 8.258 2.321 166 2HD2 LEU 22 2HD2 LEU 22 2.475 7.460 0.735 167 3HD2 LEU 22 3HD2 LEU 22 1.161 8.612 1.068 168 H ARG 23 H ARG 23 2.138 4.848 5.654 169 HA ARG 23 HA ARG 23 0.266 5.647 7.674 170 2HB ARG 23 2HB ARG 23 0.708 3.237 8.500 171 2HG ARG 23 2HG ARG 23 -0.104 2.441 5.942 172 2HD ARG 23 2HD ARG 23 -2.373 2.590 6.842 173 HE ARG 23 HE ARG 23 -0.234 1.543 8.469 174 1HH1 ARG 23 1HH1 ARG 23 -2.316 -0.224 10.643 175 2HH1 ARG 23 2HH1 ARG 23 -0.695 -0.023 10.069 176 1HH2 ARG 23 1HH2 ARG 23 -4.022 1.097 9.785 177 2HH2 ARG 23 2HH2 ARG 23 -3.673 2.284 8.574 178 H ILE 24 H ILE 24 3.430 6.326 7.169 179 HA ILE 24 HA ILE 24 4.090 6.078 10.022 180 HB ILE 24 HB ILE 24 6.515 6.181 9.016 181 2HG1 ILE 24 2HG1 ILE 24 5.305 6.305 6.649 182 1HG2 ILE 24 1HG2 ILE 24 6.708 3.878 9.386 183 2HG2 ILE 24 2HG2 ILE 24 5.323 4.372 10.391 184 3HG2 ILE 24 3HG2 ILE 24 5.048 3.552 8.834 185 1HD1 ILE 24 1HD1 ILE 24 7.357 5.558 5.658 186 2HD1 ILE 24 2HD1 ILE 24 7.813 6.232 7.240 187 3HD1 ILE 24 3HD1 ILE 24 7.704 4.468 7.023 188 H ILE 25 H ILE 25 4.602 7.946 6.960 189 HA ILE 25 HA ILE 25 5.106 10.295 8.637 190 HB ILE 25 HB ILE 25 5.583 10.499 5.752 191 2HG1 ILE 25 2HG1 ILE 25 6.290 8.257 5.797 192 1HG2 ILE 25 1HG2 ILE 25 7.041 12.051 6.420 193 2HG2 ILE 25 2HG2 ILE 25 6.317 11.859 8.035 194 3HG2 ILE 25 3HG2 ILE 25 7.796 10.963 7.610 195 1HD1 ILE 25 1HD1 ILE 25 8.052 10.109 5.130 196 2HD1 ILE 25 2HD1 ILE 25 8.878 9.590 6.618 197 3HD1 ILE 25 3HD1 ILE 25 8.581 8.419 5.311 198 H ARG 26 H ARG 26 3.004 8.838 6.160 199 HA ARG 26 HA ARG 26 1.224 9.568 5.138 200 2HB ARG 26 2HB ARG 26 -0.496 9.656 6.652 201 2HG ARG 26 2HG ARG 26 1.164 10.012 9.068 202 2HD ARG 26 2HD ARG 26 0.338 7.425 9.100 203 HE ARG 26 HE ARG 26 -1.940 9.062 9.646 204 1HH1 ARG 26 1HH1 ARG 26 -0.924 10.144 12.804 205 2HH1 ARG 26 2HH1 ARG 26 -2.262 9.970 11.718 206 1HH2 ARG 26 1HH2 ARG 26 1.195 9.454 12.154 207 2HH2 ARG 26 2HH2 ARG 26 1.438 8.766 10.585 208 H ILE 27 H ILE 27 3.626 11.546 5.403 209 HA ILE 27 HA ILE 27 2.098 13.951 4.686 210 HB ILE 27 HB ILE 27 4.773 13.786 6.079 211 2HG1 ILE 27 2HG1 ILE 27 2.202 13.533 7.159 212 1HG2 ILE 27 1HG2 ILE 27 3.135 16.183 5.212 213 2HG2 ILE 27 2HG2 ILE 27 4.581 16.241 6.248 214 3HG2 ILE 27 3HG2 ILE 27 4.715 15.675 4.567 215 1HD1 ILE 27 1HD1 ILE 27 3.385 13.208 9.113 216 2HD1 ILE 27 2HD1 ILE 27 4.761 13.148 7.985 217 3HD1 ILE 27 3HD1 ILE 27 4.395 14.654 8.862 218 H ALA 28 H ALA 28 5.241 12.185 4.259 219 HA ALA 28 HA ALA 28 6.533 11.911 2.486 220 1HB ALA 28 1HB ALA 28 3.969 11.439 1.607 221 2HB ALA 28 2HB ALA 28 4.526 12.671 0.449 222 3HB ALA 28 3HB ALA 28 5.440 11.156 0.646 223 H GLY 29 H GLY 29 6.389 14.505 3.823 224 1HA GLY 29 1HA GLY 29 6.364 16.606 1.909 225 2HA GLY 29 2HA GLY 29 6.984 16.662 3.547 Start of MODEL 14 1 H ARG 1 H ARG 1 -9.451 9.482 12.057 2 HA ARG 1 HA ARG 1 -7.569 9.979 13.215 3 2HB ARG 1 2HB ARG 1 -7.163 6.980 13.676 4 2HG ARG 1 2HG ARG 1 -5.652 9.473 14.412 5 2HD ARG 1 2HD ARG 1 -6.414 7.312 16.333 6 HE ARG 1 HE ARG 1 -3.702 8.253 16.828 7 1HH1 ARG 1 1HH1 ARG 1 -2.248 5.153 16.153 8 2HH1 ARG 1 2HH1 ARG 1 -2.005 6.725 16.842 9 1HH2 ARG 1 1HH2 ARG 1 -4.299 4.603 15.217 10 2HH2 ARG 1 2HH2 ARG 1 -5.586 5.762 15.207 11 H GLY 2 H GLY 2 -7.738 6.945 11.245 12 1HA GLY 2 1HA GLY 2 -5.245 7.650 9.880 13 2HA GLY 2 2HA GLY 2 -6.125 6.138 9.777 14 H LEU 3 H LEU 3 -6.679 5.877 7.644 15 HA LEU 3 HA LEU 3 -8.199 8.075 6.445 16 2HB LEU 3 2HB LEU 3 -6.709 6.595 4.471 17 HG LEU 3 HG LEU 3 -7.689 8.935 4.244 18 1HD1 LEU 3 1HD1 LEU 3 -7.077 10.490 5.701 19 2HD1 LEU 3 2HD1 LEU 3 -5.840 9.419 6.400 20 3HD1 LEU 3 3HD1 LEU 3 -5.439 10.447 5.004 21 1HD2 LEU 3 1HD2 LEU 3 -5.759 9.732 2.843 22 2HD2 LEU 3 2HD2 LEU 3 -4.827 8.345 3.458 23 3HD2 LEU 3 3HD2 LEU 3 -6.308 8.071 2.508 24 H ARG 4 H ARG 4 -9.616 7.291 4.614 25 HA ARG 4 HA ARG 4 -11.297 6.053 4.032 26 2HB ARG 4 2HB ARG 4 -10.515 3.406 3.939 27 2HG ARG 4 2HG ARG 4 -9.493 4.006 1.677 28 2HD ARG 4 2HD ARG 4 -12.225 4.590 2.641 29 HE ARG 4 HE ARG 4 -11.130 6.477 0.781 30 1HH1 ARG 4 1HH1 ARG 4 -14.167 7.375 -0.686 31 2HH1 ARG 4 2HH1 ARG 4 -12.509 7.817 -0.456 32 1HH2 ARG 4 1HH2 ARG 4 -14.991 5.423 0.262 33 2HH2 ARG 4 2HH2 ARG 4 -13.945 4.408 1.200 34 H ARG 5 H ARG 5 -9.977 3.240 5.810 35 HA ARG 5 HA ARG 5 -10.937 3.501 8.250 36 2HB ARG 5 2HB ARG 5 -13.245 2.015 7.560 37 2HG ARG 5 2HG ARG 5 -12.626 4.751 8.616 38 2HD ARG 5 2HD ARG 5 -15.499 4.393 8.562 39 HE ARG 5 HE ARG 5 -13.775 6.529 8.487 40 1HH1 ARG 5 1HH1 ARG 5 -15.569 8.926 6.693 41 2HH1 ARG 5 2HH1 ARG 5 -14.286 8.655 7.825 42 1HH2 ARG 5 1HH2 ARG 5 -16.767 7.129 5.849 43 2HH2 ARG 5 2HH2 ARG 5 -16.381 5.516 6.350 44 H LEU 6 H LEU 6 -10.542 1.572 5.340 45 HA LEU 6 HA LEU 6 -10.775 -0.978 6.522 46 2HB LEU 6 2HB LEU 6 -9.490 -1.670 4.457 47 HG LEU 6 HG LEU 6 -12.039 -0.082 4.251 48 1HD1 LEU 6 1HD1 LEU 6 -10.903 0.354 2.159 49 2HD1 LEU 6 2HD1 LEU 6 -10.562 -1.379 1.946 50 3HD1 LEU 6 3HD1 LEU 6 -12.241 -0.789 1.895 51 1HD2 LEU 6 1HD2 LEU 6 -12.010 -2.854 3.338 52 2HD2 LEU 6 2HD2 LEU 6 -11.484 -2.677 5.028 53 3HD2 LEU 6 3HD2 LEU 6 -13.065 -2.041 4.518 54 H GLY 7 H GLY 7 -8.548 1.541 7.010 55 1HA GLY 7 1HA GLY 7 -6.728 1.575 8.361 56 2HA GLY 7 2HA GLY 7 -6.843 -0.161 8.570 57 H ARG 8 H ARG 8 -6.609 -1.240 6.055 58 HA ARG 8 HA ARG 8 -3.874 -0.634 5.512 59 2HB ARG 8 2HB ARG 8 -5.586 -2.623 3.969 60 2HG ARG 8 2HG ARG 8 -2.926 -3.438 4.910 61 2HD ARG 8 2HD ARG 8 -3.186 -3.110 2.033 62 HE ARG 8 HE ARG 8 -2.065 -5.101 2.525 63 1HH1 ARG 8 1HH1 ARG 8 -3.052 -7.883 4.389 64 2HH1 ARG 8 2HH1 ARG 8 -1.847 -7.230 3.328 65 1HH2 ARG 8 1HH2 ARG 8 -4.885 -6.596 4.993 66 2HH2 ARG 8 2HH2 ARG 8 -5.051 -4.982 4.385 67 H LYS 9 H LYS 9 -4.884 1.660 4.795 68 HA LYS 9 HA LYS 9 -5.260 1.480 1.889 69 2HB LYS 9 2HB LYS 9 -6.700 3.326 3.816 70 2HG LYS 9 2HG LYS 9 -5.946 4.172 1.412 71 2HD LYS 9 2HD LYS 9 -7.939 3.594 -0.179 72 2HE LYS 9 2HE LYS 9 -6.251 1.142 0.140 73 1HZ LYS 9 1HZ LYS 9 -6.015 1.455 -2.128 74 2HZ LYS 9 2HZ LYS 9 -7.557 1.912 -1.849 75 3HZ LYS 9 3HZ LYS 9 -6.399 3.041 -2.080 76 H ILE 10 H ILE 10 -4.144 3.392 4.735 77 HA ILE 10 HA ILE 10 -2.967 5.481 3.429 78 HB ILE 10 HB ILE 10 -1.981 4.025 5.886 79 2HG1 ILE 10 2HG1 ILE 10 -4.425 4.798 5.817 80 1HG2 ILE 10 1HG2 ILE 10 -0.572 5.886 4.551 81 2HG2 ILE 10 2HG2 ILE 10 -1.591 6.948 5.552 82 3HG2 ILE 10 3HG2 ILE 10 -0.555 5.724 6.324 83 1HD1 ILE 10 1HD1 ILE 10 -3.896 4.489 8.020 84 2HD1 ILE 10 2HD1 ILE 10 -2.321 5.299 7.850 85 3HD1 ILE 10 3HD1 ILE 10 -3.798 6.266 8.068 86 H ALA 11 H ALA 11 -1.466 2.275 4.242 87 HA ALA 11 HA ALA 11 0.046 2.388 1.808 88 1HB ALA 11 1HB ALA 11 1.752 2.114 4.256 89 2HB ALA 11 2HB ALA 11 2.158 2.760 2.647 90 3HB ALA 11 3HB ALA 11 1.228 3.752 3.795 91 H HIS 12 H HIS 12 1.674 0.342 1.918 92 HA HIS 12 HA HIS 12 0.556 -1.760 3.546 93 2HB HIS 12 2HB HIS 12 -0.732 -1.446 1.258 94 HD1 HIS 12 1HD HIS 12 2.805 -2.105 0.801 95 HD2 HIS 12 2HD HIS 12 -0.723 -3.201 -1.186 96 HE1 HIS 12 1HE HIS 12 3.506 -2.874 -1.528 97 H GLY 13 H GLY 13 2.844 -0.649 1.000 98 1HA GLY 13 1HA GLY 13 4.671 -2.831 1.477 99 2HA GLY 13 2HA GLY 13 4.895 -1.449 0.421 100 H VAL 14 H VAL 14 3.970 0.284 2.911 101 HA VAL 14 HA VAL 14 6.589 0.941 3.720 102 HB VAL 14 HB VAL 14 4.413 2.343 3.557 103 1HG1 VAL 14 1HG1 VAL 14 4.201 1.419 6.441 104 2HG1 VAL 14 2HG1 VAL 14 3.174 2.622 5.623 105 3HG1 VAL 14 3HG1 VAL 14 3.114 0.913 5.124 106 1HG2 VAL 14 1HG2 VAL 14 6.851 2.621 5.027 107 2HG2 VAL 14 2HG2 VAL 14 5.836 3.889 4.297 108 3HG2 VAL 14 3HG2 VAL 14 5.539 3.365 5.972 109 H LYS 15 H LYS 15 4.003 -1.147 5.020 110 HA LYS 15 HA LYS 15 5.036 -1.419 7.600 111 2HB LYS 15 2HB LYS 15 3.749 -3.798 7.084 112 2HG LYS 15 2HG LYS 15 2.757 -1.035 7.878 113 2HD LYS 15 2HD LYS 15 1.013 -3.255 8.659 114 2HE LYS 15 2HE LYS 15 0.554 -0.682 7.073 115 1HZ LYS 15 1HZ LYS 15 -1.725 -1.093 7.981 116 2HZ LYS 15 2HZ LYS 15 -1.272 -2.068 6.753 117 3HZ LYS 15 3HZ LYS 15 -1.266 -2.631 8.286 118 H LYS 16 H LYS 16 6.118 -2.602 4.491 119 HA LYS 16 HA LYS 16 7.910 -4.477 5.864 120 2HB LYS 16 2HB LYS 16 7.176 -5.915 4.328 121 2HG LYS 16 2HG LYS 16 5.823 -5.189 2.325 122 2HD LYS 16 2HD LYS 16 4.492 -3.566 4.378 123 2HE LYS 16 2HE LYS 16 3.911 -6.399 3.396 124 1HZ LYS 16 1HZ LYS 16 2.705 -5.128 5.311 125 2HZ LYS 16 2HZ LYS 16 1.910 -4.420 4.073 126 3HZ LYS 16 3HZ LYS 16 1.867 -6.042 4.246 127 H TYR 17 H TYR 17 7.667 -1.769 3.509 128 HA TYR 17 HA TYR 17 10.532 -1.651 3.226 129 2HB TYR 17 2HB TYR 17 9.525 0.636 2.118 130 HD1 TYR 17 1HD TYR 17 10.356 0.569 -0.038 131 HD2 TYR 17 2HD TYR 17 8.400 -2.904 1.516 132 HE1 TYR 17 1HE TYR 17 10.801 -0.666 -2.216 133 HE2 TYR 17 2HE TYR 17 8.852 -4.126 -0.667 134 HH TYR 17 HH TYR 17 9.353 -3.760 -2.861 135 H GLY 18 H GLY 18 8.157 0.953 4.089 136 1HA GLY 18 1HA GLY 18 8.308 1.904 6.343 137 2HA GLY 18 2HA GLY 18 10.051 1.803 6.199 138 HA PRO 19 HA PRO 19 10.132 5.419 3.716 139 2HB PRO 19 2HB PRO 19 12.071 4.970 2.559 140 2HG PRO 19 2HG PRO 19 12.474 2.729 2.189 141 2HD PRO 19 2HD PRO 19 11.263 1.808 3.911 142 H THR 20 H THR 20 8.325 2.959 2.063 143 HA THR 20 HA THR 20 6.958 4.706 0.328 144 HB THR 20 HB THR 20 6.841 1.875 1.263 145 HG1 THR 20 1HG THR 20 7.315 1.861 -0.899 146 1HG2 THR 20 1HG2 THR 20 4.590 1.761 -0.140 147 2HG2 THR 20 2HG2 THR 20 4.505 2.117 1.602 148 3HG2 THR 20 3HG2 THR 20 4.377 3.439 0.418 149 H VAL 21 H VAL 21 6.785 6.476 2.077 150 HA VAL 21 HA VAL 21 4.147 6.140 3.319 151 HB VAL 21 HB VAL 21 5.314 7.919 4.958 152 1HG1 VAL 21 1HG1 VAL 21 6.035 5.341 5.972 153 2HG1 VAL 21 2HG1 VAL 21 4.632 6.354 6.390 154 3HG1 VAL 21 3HG1 VAL 21 4.517 5.183 5.055 155 1HG2 VAL 21 1HG2 VAL 21 7.572 5.969 4.511 156 2HG2 VAL 21 2HG2 VAL 21 7.498 7.509 3.621 157 3HG2 VAL 21 3HG2 VAL 21 7.575 7.512 5.400 158 H LEU 22 H LEU 22 5.859 7.534 0.873 159 HA LEU 22 HA LEU 22 5.152 10.257 1.169 160 2HB LEU 22 2HB LEU 22 5.807 8.731 -1.353 161 HG LEU 22 HG LEU 22 5.032 11.160 -1.566 162 1HD1 LEU 22 1HD1 LEU 22 7.078 12.737 -1.108 163 2HD1 LEU 22 2HD1 LEU 22 5.919 12.351 0.189 164 3HD1 LEU 22 3HD1 LEU 22 7.487 11.512 0.118 165 1HD2 LEU 22 1HD2 LEU 22 7.591 11.448 -2.748 166 2HD2 LEU 22 2HD2 LEU 22 7.175 9.717 -2.803 167 3HD2 LEU 22 3HD2 LEU 22 6.069 10.921 -3.509 168 H ARG 23 H ARG 23 3.469 11.453 0.131 169 HA ARG 23 HA ARG 23 1.361 11.781 -0.277 170 2HB ARG 23 2HB ARG 23 0.483 10.140 -2.242 171 2HG ARG 23 2HG ARG 23 2.223 11.512 -3.770 172 2HD ARG 23 2HD ARG 23 0.735 13.630 -3.168 173 HE ARG 23 HE ARG 23 -0.992 11.457 -4.096 174 1HH1 ARG 23 1HH1 ARG 23 -0.327 12.107 -7.460 175 2HH1 ARG 23 2HH1 ARG 23 -1.351 11.265 -6.345 176 1HH2 ARG 23 1HH2 ARG 23 1.409 13.429 -6.670 177 2HH2 ARG 23 2HH2 ARG 23 1.680 13.576 -4.965 178 H ILE 24 H ILE 24 1.944 9.824 1.888 179 HA ILE 24 HA ILE 24 -0.704 8.683 2.050 180 HB ILE 24 HB ILE 24 0.233 6.451 2.704 181 2HG1 ILE 24 2HG1 ILE 24 2.575 7.206 3.040 182 1HG2 ILE 24 1HG2 ILE 24 -0.828 7.136 0.456 183 2HG2 ILE 24 2HG2 ILE 24 0.831 7.056 -0.186 184 3HG2 ILE 24 3HG2 ILE 24 0.085 5.610 0.536 185 1HD1 ILE 24 1HD1 ILE 24 1.730 4.884 1.384 186 2HD1 ILE 24 2HD1 ILE 24 3.456 5.302 1.261 187 3HD1 ILE 24 3HD1 ILE 24 2.743 4.930 2.848 188 H ILE 25 H ILE 25 2.595 8.720 3.578 189 HA ILE 25 HA ILE 25 1.239 9.553 6.049 190 HB ILE 25 HB ILE 25 3.772 8.127 6.381 191 2HG1 ILE 25 2HG1 ILE 25 3.231 6.638 4.707 192 1HG2 ILE 25 1HG2 ILE 25 1.381 7.104 7.715 193 2HG2 ILE 25 2HG2 ILE 25 2.905 7.719 8.396 194 3HG2 ILE 25 3HG2 ILE 25 1.611 8.854 7.939 195 1HD1 ILE 25 1HD1 ILE 25 2.812 4.658 5.813 196 2HD1 ILE 25 2HD1 ILE 25 3.017 5.696 7.245 197 3HD1 ILE 25 3HD1 ILE 25 1.385 5.309 6.653 198 H ARG 26 H ARG 26 3.904 9.879 3.734 199 HA ARG 26 HA ARG 26 5.581 11.265 3.603 200 2HB ARG 26 2HB ARG 26 4.858 13.446 3.249 201 2HG ARG 26 2HG ARG 26 2.051 12.924 3.924 202 2HD ARG 26 2HD ARG 26 2.390 12.704 1.156 203 HE ARG 26 HE ARG 26 0.863 14.384 1.829 204 1HH1 ARG 26 1HH1 ARG 26 1.548 17.613 2.958 205 2HH1 ARG 26 2HH1 ARG 26 0.327 16.539 2.364 206 1HH2 ARG 26 1HH2 ARG 26 3.731 16.865 3.207 207 2HH2 ARG 26 2HH2 ARG 26 4.137 15.230 2.800 208 H ILE 27 H ILE 27 5.070 9.952 6.360 209 HA ILE 27 HA ILE 27 6.681 11.853 7.918 210 HB ILE 27 HB ILE 27 4.583 9.912 8.894 211 2HG1 ILE 27 2HG1 ILE 27 4.279 12.488 7.843 212 1HG2 ILE 27 1HG2 ILE 27 5.036 10.698 11.114 213 2HG2 ILE 27 2HG2 ILE 27 6.562 10.125 10.398 214 3HG2 ILE 27 3HG2 ILE 27 6.233 11.871 10.511 215 1HD1 ILE 27 1HD1 ILE 27 2.035 12.048 8.196 216 2HD1 ILE 27 2HD1 ILE 27 2.669 10.406 8.466 217 3HD1 ILE 27 3HD1 ILE 27 2.305 11.458 9.854 218 H ALA 28 H ALA 28 5.843 8.349 7.463 219 HA ALA 28 HA ALA 28 7.252 6.625 7.161 220 1HB ALA 28 1HB ALA 28 8.959 8.707 6.633 221 2HB ALA 28 2HB ALA 28 9.741 7.967 8.052 222 3HB ALA 28 3HB ALA 28 9.423 6.989 6.598 223 H GLY 29 H GLY 29 5.710 6.661 9.295 224 1HA GLY 29 1HA GLY 29 7.171 6.694 11.776 225 2HA GLY 29 2HA GLY 29 5.495 6.253 11.521 Start of MODEL 15 1 H ARG 1 H ARG 1 -4.633 9.494 -4.259 2 HA ARG 1 HA ARG 1 -3.450 7.334 -3.721 3 2HB ARG 1 2HB ARG 1 -3.221 7.958 -0.911 4 2HG ARG 1 2HG ARG 1 -0.707 7.502 -1.517 5 2HD ARG 1 2HD ARG 1 -2.521 5.812 -0.699 6 HE ARG 1 HE ARG 1 -3.796 4.967 -2.456 7 1HH1 ARG 1 1HH1 ARG 1 -2.939 4.001 -5.698 8 2HH1 ARG 1 2HH1 ARG 1 -4.208 4.083 -4.523 9 1HH2 ARG 1 1HH2 ARG 1 -0.817 4.786 -5.172 10 2HH2 ARG 1 2HH2 ARG 1 -0.507 5.456 -3.604 11 H GLY 2 H GLY 2 -4.341 6.328 -1.194 12 1HA GLY 2 1HA GLY 2 -7.238 6.857 -1.404 13 2HA GLY 2 2HA GLY 2 -6.502 5.347 -0.907 14 H LEU 3 H LEU 3 -5.172 5.366 1.161 15 HA LEU 3 HA LEU 3 -5.029 5.731 3.332 16 2HB LEU 3 2HB LEU 3 -4.181 7.945 2.330 17 HG LEU 3 HG LEU 3 -6.922 8.720 2.931 18 1HD1 LEU 3 1HD1 LEU 3 -6.665 10.529 4.349 19 2HD1 LEU 3 2HD1 LEU 3 -5.598 9.314 5.091 20 3HD1 LEU 3 3HD1 LEU 3 -4.906 10.617 4.097 21 1HD2 LEU 3 1HD2 LEU 3 -5.183 10.815 1.932 22 2HD2 LEU 3 2HD2 LEU 3 -4.933 9.288 1.054 23 3HD2 LEU 3 3HD2 LEU 3 -6.560 10.001 1.152 24 H ARG 4 H ARG 4 -6.334 5.502 5.151 25 HA ARG 4 HA ARG 4 -9.025 6.497 4.936 26 2HB ARG 4 2HB ARG 4 -9.746 4.085 5.822 27 2HG ARG 4 2HG ARG 4 -10.118 3.341 3.465 28 2HD ARG 4 2HD ARG 4 -10.524 6.300 3.257 29 HE ARG 4 HE ARG 4 -11.941 3.889 2.512 30 1HH1 ARG 4 1HH1 ARG 4 -14.820 5.553 1.455 31 2HH1 ARG 4 2HH1 ARG 4 -13.941 4.062 1.420 32 1HH2 ARG 4 1HH2 ARG 4 -13.967 7.377 2.610 33 2HH2 ARG 4 2HH2 ARG 4 -12.450 7.245 3.437 34 H ARG 5 H ARG 5 -7.471 3.931 6.988 35 HA ARG 5 HA ARG 5 -6.602 5.416 9.028 36 2HB ARG 5 2HB ARG 5 -8.681 6.443 9.550 37 2HG ARG 5 2HG ARG 5 -9.942 3.697 9.102 38 2HD ARG 5 2HD ARG 5 -12.004 4.550 9.845 39 HE ARG 5 HE ARG 5 -10.948 4.572 11.962 40 1HH1 ARG 5 1HH1 ARG 5 -9.448 7.256 13.613 41 2HH1 ARG 5 2HH1 ARG 5 -10.061 5.644 13.775 42 1HH2 ARG 5 1HH2 ARG 5 -9.530 8.326 11.555 43 2HH2 ARG 5 2HH2 ARG 5 -10.203 7.514 10.183 44 H LEU 6 H LEU 6 -8.323 2.565 7.845 45 HA LEU 6 HA LEU 6 -7.852 0.894 10.064 46 2HB LEU 6 2HB LEU 6 -8.273 -0.917 8.344 47 HG LEU 6 HG LEU 6 -10.250 1.310 8.787 48 1HD1 LEU 6 1HD1 LEU 6 -11.314 0.732 6.908 49 2HD1 LEU 6 2HD1 LEU 6 -10.365 -0.762 6.714 50 3HD1 LEU 6 3HD1 LEU 6 -11.781 -0.741 7.794 51 1HD2 LEU 6 1HD2 LEU 6 -10.922 -1.422 9.604 52 2HD2 LEU 6 2HD2 LEU 6 -9.436 -0.797 10.359 53 3HD2 LEU 6 3HD2 LEU 6 -10.963 0.101 10.525 54 H GLY 7 H GLY 7 -5.721 2.392 7.882 55 1HA GLY 7 1HA GLY 7 -3.454 2.227 7.810 56 2HA GLY 7 2HA GLY 7 -3.512 0.820 8.854 57 H ARG 8 H ARG 8 -5.791 0.133 6.533 58 HA ARG 8 HA ARG 8 -3.824 -1.380 5.050 59 2HB ARG 8 2HB ARG 8 -6.629 -1.952 4.386 60 2HG ARG 8 2HG ARG 8 -4.647 -3.683 5.920 61 2HD ARG 8 2HD ARG 8 -6.103 -5.010 3.813 62 HE ARG 8 HE ARG 8 -5.580 -5.383 6.623 63 1HH1 ARG 8 1HH1 ARG 8 -7.310 -8.403 6.885 64 2HH1 ARG 8 2HH1 ARG 8 -6.155 -7.352 7.632 65 1HH2 ARG 8 1HH2 ARG 8 -8.278 -7.811 4.859 66 2HH2 ARG 8 2HH2 ARG 8 -7.842 -6.317 4.096 67 H LYS 9 H LYS 9 -4.878 1.615 4.785 68 HA LYS 9 HA LYS 9 -5.290 1.426 1.886 69 2HB LYS 9 2HB LYS 9 -6.691 3.337 3.777 70 2HG LYS 9 2HG LYS 9 -6.058 3.640 1.042 71 2HD LYS 9 2HD LYS 9 -8.915 2.649 1.455 72 2HE LYS 9 2HE LYS 9 -7.923 3.680 -1.195 73 1HZ LYS 9 1HZ LYS 9 -10.262 4.282 -1.293 74 2HZ LYS 9 2HZ LYS 9 -10.071 2.689 -0.996 75 3HZ LYS 9 3HZ LYS 9 -10.503 3.698 0.213 76 H ILE 10 H ILE 10 -4.177 3.374 4.714 77 HA ILE 10 HA ILE 10 -3.010 5.452 3.388 78 HB ILE 10 HB ILE 10 -2.011 4.016 5.851 79 2HG1 ILE 10 2HG1 ILE 10 -4.455 4.785 5.785 80 1HG2 ILE 10 1HG2 ILE 10 -0.316 5.510 4.949 81 2HG2 ILE 10 2HG2 ILE 10 -1.497 6.838 4.868 82 3HG2 ILE 10 3HG2 ILE 10 -1.005 6.179 6.447 83 1HD1 ILE 10 1HD1 ILE 10 -3.861 6.254 8.026 84 2HD1 ILE 10 2HD1 ILE 10 -3.883 4.474 7.983 85 3HD1 ILE 10 3HD1 ILE 10 -2.342 5.350 7.807 86 H ALA 11 H ALA 11 -1.493 2.258 4.219 87 HA ALA 11 HA ALA 11 0.014 2.362 1.779 88 1HB ALA 11 1HB ALA 11 2.023 3.008 2.571 89 2HB ALA 11 2HB ALA 11 1.151 3.604 4.004 90 3HB ALA 11 3HB ALA 11 1.872 1.976 4.013 91 H HIS 12 H HIS 12 1.644 0.321 1.893 92 HA HIS 12 HA HIS 12 0.535 -1.777 3.533 93 2HB HIS 12 2HB HIS 12 -0.752 -1.477 1.242 94 HD1 HIS 12 1HD HIS 12 2.783 -2.115 0.787 95 HD2 HIS 12 2HD HIS 12 -0.736 -3.265 -1.185 96 HE1 HIS 12 1HE HIS 12 3.490 -2.901 -1.537 97 H GLY 13 H GLY 13 2.824 -0.664 0.991 98 1HA GLY 13 1HA GLY 13 4.656 -2.841 1.469 99 2HA GLY 13 2HA GLY 13 4.879 -1.457 0.416 100 H VAL 14 H VAL 14 3.942 0.269 2.907 101 HA VAL 14 HA VAL 14 6.557 0.935 3.721 102 HB VAL 14 HB VAL 14 4.377 2.330 3.561 103 1HG1 VAL 14 1HG1 VAL 14 4.158 1.441 6.453 104 2HG1 VAL 14 2HG1 VAL 14 3.097 2.575 5.582 105 3HG1 VAL 14 3HG1 VAL 14 3.111 0.850 5.141 106 1HG2 VAL 14 1HG2 VAL 14 6.783 2.579 5.151 107 2HG2 VAL 14 2HG2 VAL 14 5.878 3.826 4.259 108 3HG2 VAL 14 3HG2 VAL 14 5.425 3.425 5.932 109 H LYS 15 H LYS 15 3.979 -1.170 5.014 110 HA LYS 15 HA LYS 15 5.010 -1.443 7.595 111 2HB LYS 15 2HB LYS 15 3.740 -3.832 7.058 112 2HG LYS 15 2HG LYS 15 2.557 -1.106 7.766 113 2HD LYS 15 2HD LYS 15 1.450 -3.936 7.950 114 2HE LYS 15 2HE LYS 15 1.350 -2.185 10.082 115 1HZ LYS 15 1HZ LYS 15 -0.399 -0.840 9.916 116 2HZ LYS 15 2HZ LYS 15 -0.170 -0.947 8.303 117 3HZ LYS 15 3HZ LYS 15 -1.297 -1.878 9.031 118 H LYS 16 H LYS 16 6.098 -2.619 4.483 119 HA LYS 16 HA LYS 16 7.901 -4.485 5.853 120 2HB LYS 16 2HB LYS 16 7.176 -5.922 4.310 121 2HG LYS 16 2HG LYS 16 5.826 -5.193 2.304 122 2HD LYS 16 2HD LYS 16 4.478 -3.590 4.360 123 2HE LYS 16 2HE LYS 16 3.591 -5.160 2.412 124 1HZ LYS 16 1HZ LYS 16 4.782 -7.031 3.833 125 2HZ LYS 16 2HZ LYS 16 3.293 -7.108 4.500 126 3HZ LYS 16 3HZ LYS 16 3.479 -7.323 2.892 127 H TYR 17 H TYR 17 7.647 -1.770 3.505 128 HA TYR 17 HA TYR 17 10.510 -1.636 3.225 129 2HB TYR 17 2HB TYR 17 9.494 0.649 2.125 130 HD1 TYR 17 1HD TYR 17 8.719 -2.985 1.630 131 HD2 TYR 17 2HD TYR 17 9.994 0.688 -0.152 132 HE1 TYR 17 1HE TYR 17 9.177 -4.197 -0.559 133 HE2 TYR 17 2HE TYR 17 10.448 -0.533 -2.333 134 HH TYR 17 HH TYR 17 9.717 -2.527 -3.462 135 H GLY 18 H GLY 18 8.123 0.951 4.097 136 1HA GLY 18 1HA GLY 18 8.264 1.898 6.350 137 2HA GLY 18 2HA GLY 18 10.009 1.801 6.215 138 HA PRO 19 HA PRO 19 10.098 5.426 3.747 139 2HB PRO 19 2HB PRO 19 12.043 4.983 2.597 140 2HG PRO 19 2HG PRO 19 12.450 2.744 2.222 141 2HD PRO 19 2HD PRO 19 11.232 1.814 3.934 142 H THR 20 H THR 20 8.299 2.967 2.079 143 HA THR 20 HA THR 20 6.938 4.721 0.345 144 HB THR 20 HB THR 20 6.827 1.887 1.261 145 HG1 THR 20 1HG THR 20 7.356 1.923 -0.885 146 1HG2 THR 20 1HG2 THR 20 4.489 2.120 1.602 147 2HG2 THR 20 2HG2 THR 20 4.359 3.444 0.420 148 3HG2 THR 20 3HG2 THR 20 4.577 1.768 -0.141 149 H VAL 21 H VAL 21 6.749 6.485 2.090 150 HA VAL 21 HA VAL 21 4.108 6.136 3.323 151 HB VAL 21 HB VAL 21 5.263 7.915 4.972 152 1HG1 VAL 21 1HG1 VAL 21 4.575 6.344 6.394 153 2HG1 VAL 21 2HG1 VAL 21 4.481 5.173 5.056 154 3HG1 VAL 21 3HG1 VAL 21 5.989 5.341 5.988 155 1HG2 VAL 21 1HG2 VAL 21 7.521 7.530 5.410 156 2HG2 VAL 21 2HG2 VAL 21 7.530 5.975 4.545 157 3HG2 VAL 21 3HG2 VAL 21 7.452 7.503 3.632 158 H LEU 22 H LEU 22 5.812 7.536 0.882 159 HA LEU 22 HA LEU 22 5.093 10.259 1.184 160 2HB LEU 22 2HB LEU 22 5.473 9.934 -1.479 161 HG LEU 22 HG LEU 22 7.612 10.078 0.659 162 1HD1 LEU 22 1HD1 LEU 22 9.226 9.888 -0.852 163 2HD1 LEU 22 2HD1 LEU 22 7.998 9.367 -2.028 164 3HD1 LEU 22 3HD1 LEU 22 8.451 11.085 -1.917 165 1HD2 LEU 22 1HD2 LEU 22 7.411 12.327 0.611 166 2HD2 LEU 22 2HD2 LEU 22 7.016 12.370 -1.124 167 3HD2 LEU 22 3HD2 LEU 22 5.761 11.945 0.063 168 H ARG 23 H ARG 23 3.408 11.444 0.141 169 HA ARG 23 HA ARG 23 1.303 11.761 -0.289 170 2HB ARG 23 2HB ARG 23 0.442 10.122 -2.256 171 2HG ARG 23 2HG ARG 23 2.252 11.473 -3.753 172 2HD ARG 23 2HD ARG 23 0.199 13.133 -2.267 173 HE ARG 23 HE ARG 23 0.823 14.350 -4.171 174 1HH1 ARG 23 1HH1 ARG 23 0.836 13.429 -7.536 175 2HH1 ARG 23 2HH1 ARG 23 0.996 14.740 -6.416 176 1HH2 ARG 23 1HH2 ARG 23 0.446 11.278 -6.758 177 2HH2 ARG 23 2HH2 ARG 23 0.315 10.983 -5.057 178 H ILE 24 H ILE 24 1.895 9.794 1.878 179 HA ILE 24 HA ILE 24 -0.753 8.651 2.032 180 HB ILE 24 HB ILE 24 0.184 6.422 2.689 181 2HG1 ILE 24 2HG1 ILE 24 2.520 7.184 3.047 182 1HG2 ILE 24 1HG2 ILE 24 0.801 7.042 -0.195 183 2HG2 ILE 24 2HG2 ILE 24 0.072 5.582 0.514 184 3HG2 ILE 24 3HG2 ILE 24 -0.862 7.093 0.436 185 1HD1 ILE 24 1HD1 ILE 24 1.686 4.851 1.415 186 2HD1 ILE 24 2HD1 ILE 24 3.408 5.276 1.258 187 3HD1 ILE 24 3HD1 ILE 24 2.723 4.915 2.860 188 H ILE 25 H ILE 25 2.540 8.706 3.572 189 HA ILE 25 HA ILE 25 1.172 9.531 6.038 190 HB ILE 25 HB ILE 25 3.714 8.122 6.375 191 2HG1 ILE 25 2HG1 ILE 25 3.182 6.625 4.705 192 1HG2 ILE 25 1HG2 ILE 25 2.847 7.689 8.387 193 2HG2 ILE 25 2HG2 ILE 25 1.573 8.848 7.941 194 3HG2 ILE 25 3HG2 ILE 25 1.311 7.104 7.704 195 1HD1 ILE 25 1HD1 ILE 25 2.767 4.646 5.815 196 2HD1 ILE 25 2HD1 ILE 25 2.970 5.687 7.244 197 3HD1 ILE 25 3HD1 ILE 25 1.338 5.294 6.653 198 H ARG 26 H ARG 26 3.830 9.885 3.723 199 HA ARG 26 HA ARG 26 5.501 11.280 3.602 200 2HB ARG 26 2HB ARG 26 4.764 13.455 3.243 201 2HG ARG 26 2HG ARG 26 1.956 12.897 3.906 202 2HD ARG 26 2HD ARG 26 2.292 12.715 1.141 203 HE ARG 26 HE ARG 26 0.772 14.391 1.839 204 1HH1 ARG 26 1HH1 ARG 26 1.471 17.612 2.984 205 2HH1 ARG 26 2HH1 ARG 26 0.242 16.544 2.394 206 1HH2 ARG 26 1HH2 ARG 26 3.655 16.858 3.212 207 2HH2 ARG 26 2HH2 ARG 26 4.055 15.226 2.791 208 H ILE 27 H ILE 27 4.996 9.964 6.356 209 HA ILE 27 HA ILE 27 6.593 11.876 7.915 210 HB ILE 27 HB ILE 27 4.494 9.939 8.895 211 2HG1 ILE 27 2HG1 ILE 27 4.185 12.506 7.822 212 1HG2 ILE 27 1HG2 ILE 27 5.732 9.924 10.761 213 2HG2 ILE 27 2HG2 ILE 27 6.700 11.330 10.254 214 3HG2 ILE 27 3HG2 ILE 27 5.103 11.572 11.004 215 1HD1 ILE 27 1HD1 ILE 27 2.581 10.424 8.466 216 2HD1 ILE 27 2HD1 ILE 27 2.207 11.496 9.836 217 3HD1 ILE 27 3HD1 ILE 27 1.944 12.059 8.167 218 H ALA 28 H ALA 28 5.759 8.373 7.458 219 HA ALA 28 HA ALA 28 7.172 6.650 7.165 220 1HB ALA 28 1HB ALA 28 9.380 6.988 6.685 221 2HB ALA 28 2HB ALA 28 8.875 8.693 6.607 222 3HB ALA 28 3HB ALA 28 9.632 8.058 8.085 223 H GLY 29 H GLY 29 5.642 7.315 9.499 224 1HA GLY 29 1HA GLY 29 5.580 7.058 11.772 225 2HA GLY 29 2HA GLY 29 6.183 5.480 11.308 Start of MODEL 16 1 H ARG 1 H ARG 1 -6.437 -8.281 -4.931 2 HA ARG 1 HA ARG 1 -4.922 -8.477 -3.398 3 2HB ARG 1 2HB ARG 1 -4.235 -5.928 -2.397 4 2HG ARG 1 2HG ARG 1 -3.019 -8.022 -3.827 5 2HD ARG 1 2HD ARG 1 -1.687 -6.738 -5.558 6 HE ARG 1 HE ARG 1 -4.139 -7.901 -5.951 7 1HH1 ARG 1 1HH1 ARG 1 -5.036 -6.807 -9.142 8 2HH1 ARG 1 2HH1 ARG 1 -5.284 -8.016 -7.926 9 1HH2 ARG 1 1HH2 ARG 1 -3.541 -5.072 -8.765 10 2HH2 ARG 1 2HH2 ARG 1 -2.674 -4.987 -7.269 11 H GLY 2 H GLY 2 -7.209 -5.762 -2.659 12 1HA GLY 2 1HA GLY 2 -8.685 -6.847 -0.711 13 2HA GLY 2 2HA GLY 2 -7.231 -6.420 0.169 14 H LEU 3 H LEU 3 -8.811 -4.735 -2.626 15 HA LEU 3 HA LEU 3 -9.218 -2.554 -2.886 16 2HB LEU 3 2HB LEU 3 -10.826 -1.899 -0.759 17 HG LEU 3 HG LEU 3 -12.739 -2.825 -2.051 18 1HD1 LEU 3 1HD1 LEU 3 -12.600 -0.796 -2.945 19 2HD1 LEU 3 2HD1 LEU 3 -10.822 -0.830 -2.926 20 3HD1 LEU 3 3HD1 LEU 3 -11.709 -1.534 -4.297 21 1HD2 LEU 3 1HD2 LEU 3 -10.623 -4.382 -3.291 22 2HD2 LEU 3 2HD2 LEU 3 -12.388 -4.611 -3.328 23 3HD2 LEU 3 3HD2 LEU 3 -11.607 -3.520 -4.498 24 H ARG 4 H ARG 4 -7.156 -1.602 -2.715 25 HA ARG 4 HA ARG 4 -5.967 -1.102 -0.258 26 2HB ARG 4 2HB ARG 4 -4.588 -1.106 -2.241 27 2HG ARG 4 2HG ARG 4 -5.393 1.323 -3.573 28 2HD ARG 4 2HD ARG 4 -5.886 -1.468 -4.646 29 HE ARG 4 HE ARG 4 -5.823 1.028 -5.856 30 1HH1 ARG 4 1HH1 ARG 4 -4.304 0.271 -8.906 31 2HH1 ARG 4 2HH1 ARG 4 -5.303 1.399 -8.051 32 1HH2 ARG 4 1HH2 ARG 4 -3.493 -1.614 -7.824 33 2HH2 ARG 4 2HH2 ARG 4 -3.887 -1.895 -6.161 34 H ARG 5 H ARG 5 -7.953 -0.204 0.883 35 HA ARG 5 HA ARG 5 -7.718 2.513 1.182 36 2HB ARG 5 2HB ARG 5 -10.461 2.385 0.223 37 2HG ARG 5 2HG ARG 5 -9.348 4.113 -1.461 38 2HD ARG 5 2HD ARG 5 -9.838 4.327 1.500 39 HE ARG 5 HE ARG 5 -8.244 6.042 1.585 40 1HH1 ARG 5 1HH1 ARG 5 -7.746 8.778 -0.523 41 2HH1 ARG 5 2HH1 ARG 5 -7.311 8.039 0.981 42 1HH2 ARG 5 1HH2 ARG 5 -9.278 7.740 -1.926 43 2HH2 ARG 5 2HH2 ARG 5 -9.985 6.228 -1.468 44 H LEU 6 H LEU 6 -9.718 -0.444 1.339 45 HA LEU 6 HA LEU 6 -11.424 0.411 3.404 46 2HB LEU 6 2HB LEU 6 -11.762 -2.081 3.689 47 HG LEU 6 HG LEU 6 -12.149 -0.737 1.024 48 1HD1 LEU 6 1HD1 LEU 6 -11.750 -3.416 1.085 49 2HD1 LEU 6 2HD1 LEU 6 -13.500 -3.339 1.401 50 3HD1 LEU 6 3HD1 LEU 6 -12.827 -2.589 -0.065 51 1HD2 LEU 6 1HD2 LEU 6 -14.596 -1.289 1.766 52 2HD2 LEU 6 2HD2 LEU 6 -13.861 -1.453 3.380 53 3HD2 LEU 6 3HD2 LEU 6 -13.723 0.082 2.491 54 H GLY 7 H GLY 7 -8.063 -0.541 3.298 55 1HA GLY 7 1HA GLY 7 -7.591 0.177 5.961 56 2HA GLY 7 2HA GLY 7 -7.763 -1.566 5.898 57 H ARG 8 H ARG 8 -6.737 -1.876 3.135 58 HA ARG 8 HA ARG 8 -3.976 -1.783 3.844 59 2HB ARG 8 2HB ARG 8 -3.972 -2.781 1.297 60 2HG ARG 8 2HG ARG 8 -4.537 -4.025 3.983 61 2HD ARG 8 2HD ARG 8 -4.353 -6.301 2.753 62 HE ARG 8 HE ARG 8 -6.760 -4.632 3.012 63 1HH1 ARG 8 1HH1 ARG 8 -8.864 -7.413 3.130 64 2HH1 ARG 8 2HH1 ARG 8 -8.746 -5.702 3.374 65 1HH2 ARG 8 1HH2 ARG 8 -7.006 -8.618 2.435 66 2HH2 ARG 8 2HH2 ARG 8 -5.501 -7.807 2.158 67 H LYS 9 H LYS 9 -4.516 0.805 3.769 68 HA LYS 9 HA LYS 9 -3.406 1.678 1.217 69 2HB LYS 9 2HB LYS 9 -5.896 2.831 2.506 70 2HG LYS 9 2HG LYS 9 -4.124 4.492 1.524 71 2HD LYS 9 2HD LYS 9 -4.990 4.464 -1.129 72 2HE LYS 9 2HE LYS 9 -2.436 3.313 0.091 73 1HZ LYS 9 1HZ LYS 9 -1.620 4.028 -2.164 74 2HZ LYS 9 2HZ LYS 9 -2.479 2.640 -2.111 75 3HZ LYS 9 3HZ LYS 9 -3.179 4.014 -2.651 76 H ILE 10 H ILE 10 -4.306 2.458 4.628 77 HA ILE 10 HA ILE 10 -2.754 4.719 4.904 78 HB ILE 10 HB ILE 10 -3.382 2.603 6.967 79 2HG1 ILE 10 2HG1 ILE 10 -5.331 3.567 5.623 80 1HG2 ILE 10 1HG2 ILE 10 -2.608 3.964 8.578 81 2HG2 ILE 10 2HG2 ILE 10 -1.647 4.679 7.261 82 3HG2 ILE 10 3HG2 ILE 10 -3.179 5.437 7.759 83 1HD1 ILE 10 1HD1 ILE 10 -5.653 2.519 7.832 84 2HD1 ILE 10 2HD1 ILE 10 -5.185 4.036 8.636 85 3HD1 ILE 10 3HD1 ILE 10 -6.687 3.959 7.684 86 H ALA 11 H ALA 11 -1.863 1.297 5.757 87 HA ALA 11 HA ALA 11 0.913 2.119 5.905 88 1HB ALA 11 1HB ALA 11 -0.408 -0.591 6.339 89 2HB ALA 11 2HB ALA 11 1.258 -0.141 6.775 90 3HB ALA 11 3HB ALA 11 -0.117 0.620 7.610 91 H HIS 12 H HIS 12 0.980 -1.052 4.956 92 HA HIS 12 HA HIS 12 1.816 -2.012 3.156 93 2HB HIS 12 2HB HIS 12 0.320 -1.053 1.018 94 HD1 HIS 12 1HD HIS 12 1.203 -3.636 3.321 95 HD2 HIS 12 2HD HIS 12 -2.059 -2.983 0.767 96 HE1 HIS 12 1HE HIS 12 0.101 -5.912 2.974 97 H GLY 13 H GLY 13 3.852 -1.567 2.483 98 1HA GLY 13 1HA GLY 13 5.304 -0.633 0.919 99 2HA GLY 13 2HA GLY 13 4.240 0.748 0.729 100 H VAL 14 H VAL 14 4.244 0.248 4.014 101 HA VAL 14 HA VAL 14 6.741 1.705 4.454 102 HB VAL 14 HB VAL 14 4.558 3.135 4.222 103 1HG1 VAL 14 1HG1 VAL 14 3.354 3.464 6.316 104 2HG1 VAL 14 2HG1 VAL 14 3.226 1.765 5.795 105 3HG1 VAL 14 3HG1 VAL 14 4.343 2.214 7.108 106 1HG2 VAL 14 1HG2 VAL 14 5.899 3.951 6.707 107 2HG2 VAL 14 2HG2 VAL 14 7.022 3.514 5.397 108 3HG2 VAL 14 3HG2 VAL 14 5.793 4.775 5.133 109 H LYS 15 H LYS 15 3.896 -0.051 5.826 110 HA LYS 15 HA LYS 15 5.181 -0.554 8.299 111 2HB LYS 15 2HB LYS 15 2.701 -1.591 6.934 112 2HG LYS 15 2HG LYS 15 4.237 -2.876 9.070 113 2HD LYS 15 2HD LYS 15 1.734 -1.442 9.808 114 2HE LYS 15 2HE LYS 15 1.861 -4.385 9.843 115 1HZ LYS 15 1HZ LYS 15 0.969 -4.457 12.118 116 2HZ LYS 15 2HZ LYS 15 2.560 -4.091 12.067 117 3HZ LYS 15 3HZ LYS 15 1.461 -2.919 12.356 118 H LYS 16 H LYS 16 5.134 -2.098 5.109 119 HA LYS 16 HA LYS 16 6.734 -4.286 6.240 120 2HB LYS 16 2HB LYS 16 5.430 -5.682 5.109 121 2HG LYS 16 2HG LYS 16 3.511 -4.705 3.681 122 2HD LYS 16 2HD LYS 16 3.850 -3.736 6.559 123 2HE LYS 16 2HE LYS 16 1.907 -2.836 4.922 124 1HZ LYS 16 1HZ LYS 16 0.064 -4.231 4.961 125 2HZ LYS 16 2HZ LYS 16 1.285 -5.203 4.482 126 3HZ LYS 16 3HZ LYS 16 0.730 -5.285 6.015 127 H TYR 17 H TYR 17 6.488 -1.702 3.784 128 HA TYR 17 HA TYR 17 9.038 -2.428 2.637 129 2HB TYR 17 2HB TYR 17 8.338 0.032 1.629 130 HD1 TYR 17 1HD TYR 17 6.606 -3.295 1.744 131 HD2 TYR 17 2HD TYR 17 8.159 -0.137 -0.687 132 HE1 TYR 17 1HE TYR 17 6.105 -4.648 -0.347 133 HE2 TYR 17 2HE TYR 17 7.653 -1.501 -2.771 134 HH TYR 17 HH TYR 17 5.760 -4.393 -2.615 135 H GLY 18 H GLY 18 7.816 0.781 3.800 136 1HA GLY 18 1HA GLY 18 8.889 1.743 5.782 137 2HA GLY 18 2HA GLY 18 10.415 1.131 5.173 138 HA PRO 19 HA PRO 19 10.692 4.452 2.318 139 2HB PRO 19 2HB PRO 19 11.971 3.400 0.717 140 2HG PRO 19 2HG PRO 19 11.613 1.129 0.539 141 2HD PRO 19 2HD PRO 19 10.802 0.676 2.642 142 H THR 20 H THR 20 8.335 2.782 0.288 143 HA THR 20 HA THR 20 6.945 4.802 -0.676 144 HB THR 20 HB THR 20 6.403 2.036 0.122 145 HG1 THR 20 1HG THR 20 6.633 2.940 -2.058 146 1HG2 THR 20 1HG2 THR 20 4.492 2.720 1.402 147 2HG2 THR 20 2HG2 THR 20 4.166 4.100 0.326 148 3HG2 THR 20 3HG2 THR 20 3.839 2.442 -0.230 149 H VAL 21 H VAL 21 7.225 6.690 0.635 150 HA VAL 21 HA VAL 21 6.672 7.222 3.127 151 HB VAL 21 HB VAL 21 6.835 9.247 2.276 152 1HG1 VAL 21 1HG1 VAL 21 6.418 9.639 -0.232 153 2HG1 VAL 21 2HG1 VAL 21 7.693 8.482 0.223 154 3HG1 VAL 21 3HG1 VAL 21 6.105 7.889 -0.323 155 1HG2 VAL 21 1HG2 VAL 21 4.570 9.657 2.821 156 2HG2 VAL 21 2HG2 VAL 21 4.785 10.305 1.177 157 3HG2 VAL 21 3HG2 VAL 21 3.979 8.737 1.417 158 H LEU 22 H LEU 22 4.938 7.451 4.584 159 HA LEU 22 HA LEU 22 2.283 7.444 4.013 160 2HB LEU 22 2HB LEU 22 2.500 4.677 4.802 161 HG LEU 22 HG LEU 22 0.851 4.257 3.255 162 1HD1 LEU 22 1HD1 LEU 22 -0.798 5.800 3.637 163 2HD1 LEU 22 2HD1 LEU 22 0.383 6.280 4.878 164 3HD1 LEU 22 3HD1 LEU 22 0.274 7.192 3.354 165 1HD2 LEU 22 1HD2 LEU 22 1.684 6.621 1.557 166 2HD2 LEU 22 2HD2 LEU 22 2.266 4.957 1.311 167 3HD2 LEU 22 3HD2 LEU 22 0.533 5.329 1.144 168 H ARG 23 H ARG 23 4.190 5.206 6.149 169 HA ARG 23 HA ARG 23 2.916 6.537 8.375 170 2HB ARG 23 2HB ARG 23 3.949 4.560 9.679 171 2HG ARG 23 2HG ARG 23 2.411 2.840 8.359 172 2HD ARG 23 2HD ARG 23 0.823 5.226 9.243 173 HE ARG 23 HE ARG 23 -0.459 3.240 9.345 174 1HH1 ARG 23 1HH1 ARG 23 -0.035 0.488 11.448 175 2HH1 ARG 23 2HH1 ARG 23 -1.106 1.294 10.353 176 1HH2 ARG 23 1HH2 ARG 23 2.060 1.385 11.893 177 2HH2 ARG 23 2HH2 ARG 23 2.550 2.860 11.129 178 H ILE 24 H ILE 24 5.530 7.155 6.555 179 HA ILE 24 HA ILE 24 7.202 7.826 8.876 180 HB ILE 24 HB ILE 24 9.103 7.683 7.165 181 2HG1 ILE 24 2HG1 ILE 24 7.186 7.308 5.323 182 1HG2 ILE 24 1HG2 ILE 24 9.654 5.833 8.268 183 2HG2 ILE 24 2HG2 ILE 24 8.036 5.889 9.007 184 3HG2 ILE 24 3HG2 ILE 24 8.313 4.911 7.545 185 1HD1 ILE 24 1HD1 ILE 24 9.425 7.664 4.606 186 2HD1 ILE 24 2HD1 ILE 24 10.020 6.228 5.472 187 3HD1 ILE 24 3HD1 ILE 24 9.035 6.034 4.003 188 H ILE 25 H ILE 25 6.101 8.693 5.553 189 HA ILE 25 HA ILE 25 6.760 11.476 6.231 190 HB ILE 25 HB ILE 25 6.386 10.833 3.400 191 2HG1 ILE 25 2HG1 ILE 25 7.433 8.750 3.904 192 1HG2 ILE 25 1HG2 ILE 25 8.905 12.018 4.366 193 2HG2 ILE 25 2HG2 ILE 25 7.766 12.581 3.120 194 3HG2 ILE 25 3HG2 ILE 25 7.431 12.895 4.839 195 1HD1 ILE 25 1HD1 ILE 25 9.950 10.179 3.246 196 2HD1 ILE 25 2HD1 ILE 25 9.088 8.914 2.336 197 3HD1 ILE 25 3HD1 ILE 25 8.571 10.612 2.209 198 H ARG 26 H ARG 26 4.397 9.175 4.817 199 HA ARG 26 HA ARG 26 2.308 9.401 4.253 200 2HB ARG 26 2HB ARG 26 1.132 9.551 6.199 201 2HG ARG 26 2HG ARG 26 3.287 11.075 7.641 202 2HD ARG 26 2HD ARG 26 2.784 8.573 8.838 203 HE ARG 26 HE ARG 26 2.646 11.181 9.653 204 1HH1 ARG 26 1HH1 ARG 26 0.379 11.088 12.303 205 2HH1 ARG 26 2HH1 ARG 26 1.681 11.962 11.571 206 1HH2 ARG 26 1HH2 ARG 26 -0.388 9.122 11.336 207 2HH2 ARG 26 2HH2 ARG 26 0.343 8.530 9.880 208 H ILE 27 H ILE 27 4.320 11.718 3.495 209 HA ILE 27 HA ILE 27 2.224 13.606 2.674 210 HB ILE 27 HB ILE 27 5.089 14.248 3.378 211 2HG1 ILE 27 2HG1 ILE 27 2.950 13.753 5.120 212 1HG2 ILE 27 1HG2 ILE 27 4.693 16.441 2.819 213 2HG2 ILE 27 2HG2 ILE 27 3.740 15.596 1.576 214 3HG2 ILE 27 3HG2 ILE 27 2.929 16.289 3.000 215 1HD1 ILE 27 1HD1 ILE 27 5.636 14.027 5.309 216 2HD1 ILE 27 2HD1 ILE 27 5.149 15.612 5.959 217 3HD1 ILE 27 3HD1 ILE 27 4.568 14.116 6.730 218 H ALA 28 H ALA 28 5.475 12.191 1.928 219 HA ALA 28 HA ALA 28 6.390 11.589 0.004 220 1HB ALA 28 1HB ALA 28 4.999 10.457 -1.362 221 2HB ALA 28 2HB ALA 28 3.672 11.020 -0.315 222 3HB ALA 28 3HB ALA 28 4.096 11.934 -1.782 223 H GLY 29 H GLY 29 6.415 14.340 0.925 224 1HA GLY 29 1HA GLY 29 5.827 16.232 -1.020 225 2HA GLY 29 2HA GLY 29 7.069 16.364 0.209 Start of MODEL 17 1 H ARG 1 H ARG 1 -10.589 4.944 -6.162 2 HA ARG 1 HA ARG 1 -10.213 4.607 -8.992 3 2HB ARG 1 2HB ARG 1 -7.617 5.265 -7.974 4 2HG ARG 1 2HG ARG 1 -9.070 7.358 -9.509 5 2HD ARG 1 2HD ARG 1 -6.545 5.691 -9.836 6 HE ARG 1 HE ARG 1 -8.000 7.144 -11.933 7 1HH1 ARG 1 1HH1 ARG 1 -5.399 6.757 -14.228 8 2HH1 ARG 1 2HH1 ARG 1 -7.059 7.212 -14.013 9 1HH2 ARG 1 1HH2 ARG 1 -4.136 6.079 -12.403 10 2HH2 ARG 1 2HH2 ARG 1 -4.851 6.028 -10.825 11 H GLY 2 H GLY 2 -8.894 4.135 -5.646 12 1HA GLY 2 1HA GLY 2 -7.682 1.596 -6.433 13 2HA GLY 2 2HA GLY 2 -7.504 2.438 -4.906 14 H LEU 3 H LEU 3 -8.210 1.007 -3.356 15 HA LEU 3 HA LEU 3 -11.006 0.272 -3.472 16 2HB LEU 3 2HB LEU 3 -10.237 -2.120 -2.773 17 HG LEU 3 HG LEU 3 -11.261 -1.205 -5.117 18 1HD1 LEU 3 1HD1 LEU 3 -8.553 -1.281 -5.686 19 2HD1 LEU 3 2HD1 LEU 3 -9.164 -2.811 -6.357 20 3HD1 LEU 3 3HD1 LEU 3 -9.883 -1.265 -6.868 21 1HD2 LEU 3 1HD2 LEU 3 -10.841 -3.865 -5.692 22 2HD2 LEU 3 2HD2 LEU 3 -10.681 -3.812 -3.920 23 3HD2 LEU 3 3HD2 LEU 3 -12.162 -3.205 -4.699 24 H ARG 4 H ARG 4 -11.890 -0.160 -1.379 25 HA ARG 4 HA ARG 4 -12.089 0.492 0.702 26 2HB ARG 4 2HB ARG 4 -9.534 -0.879 1.489 27 2HG ARG 4 2HG ARG 4 -11.914 -0.286 2.765 28 2HD ARG 4 2HD ARG 4 -12.176 -2.936 1.400 29 HE ARG 4 HE ARG 4 -12.004 -3.006 4.183 30 1HH1 ARG 4 1HH1 ARG 4 -14.552 -5.272 4.924 31 2HH1 ARG 4 2HH1 ARG 4 -13.100 -4.521 5.497 32 1HH2 ARG 4 1HH2 ARG 4 -15.383 -4.740 2.825 33 2HH2 ARG 4 2HH2 ARG 4 -14.553 -3.591 1.829 34 H ARG 5 H ARG 5 -9.850 0.655 2.741 35 HA ARG 5 HA ARG 5 -7.932 2.446 1.934 36 2HB ARG 5 2HB ARG 5 -9.417 4.234 1.582 37 2HG ARG 5 2HG ARG 5 -11.033 3.374 4.025 38 2HD ARG 5 2HD ARG 5 -12.383 4.894 1.908 39 HE ARG 5 HE ARG 5 -12.224 6.173 4.463 40 1HH1 ARG 5 1HH1 ARG 5 -14.885 4.463 5.933 41 2HH1 ARG 5 2HH1 ARG 5 -13.851 5.847 6.034 42 1HH2 ARG 5 1HH2 ARG 5 -14.620 2.938 4.202 43 2HH2 ARG 5 2HH2 ARG 5 -13.387 3.187 3.012 44 H LEU 6 H LEU 6 -10.192 1.282 4.451 45 HA LEU 6 HA LEU 6 -8.467 1.989 6.616 46 2HB LEU 6 2HB LEU 6 -10.086 0.611 7.929 47 HG LEU 6 HG LEU 6 -11.052 2.873 6.206 48 1HD1 LEU 6 1HD1 LEU 6 -12.772 0.848 7.235 49 2HD1 LEU 6 2HD1 LEU 6 -13.018 2.327 8.195 50 3HD1 LEU 6 3HD1 LEU 6 -13.199 2.375 6.424 51 1HD2 LEU 6 1HD2 LEU 6 -10.844 4.168 8.078 52 2HD2 LEU 6 2HD2 LEU 6 -11.161 2.815 9.191 53 3HD2 LEU 6 3HD2 LEU 6 -9.575 2.960 8.395 54 H GLY 7 H GLY 7 -9.447 -1.118 5.011 55 1HA GLY 7 1HA GLY 7 -8.068 -2.970 6.342 56 2HA GLY 7 2HA GLY 7 -8.159 -2.945 4.592 57 H ARG 8 H ARG 8 -6.371 -2.231 3.331 58 HA ARG 8 HA ARG 8 -4.049 -1.448 4.880 59 2HB ARG 8 2HB ARG 8 -2.618 -2.966 3.503 60 2HG ARG 8 2HG ARG 8 -4.250 -5.143 4.230 61 2HD ARG 8 2HD ARG 8 -1.774 -4.156 4.920 62 HE ARG 8 HE ARG 8 -3.310 -2.900 6.813 63 1HH1 ARG 8 1HH1 ARG 8 -1.554 -3.468 9.773 64 2HH1 ARG 8 2HH1 ARG 8 -2.711 -2.459 8.972 65 1HH2 ARG 8 1HH2 ARG 8 -0.612 -5.269 8.652 66 2HH2 ARG 8 2HH2 ARG 8 -1.065 -5.603 7.015 67 H LYS 9 H LYS 9 -4.651 0.726 4.036 68 HA LYS 9 HA LYS 9 -3.802 1.020 1.243 69 2HB LYS 9 2HB LYS 9 -6.076 2.516 2.582 70 2HG LYS 9 2HG LYS 9 -4.418 3.194 0.359 71 2HD LYS 9 2HD LYS 9 -6.586 3.355 -1.244 72 2HE LYS 9 2HE LYS 9 -4.204 2.097 -1.442 73 1HZ LYS 9 1HZ LYS 9 -5.085 0.167 -0.243 74 2HZ LYS 9 2HZ LYS 9 -6.171 -0.085 -1.439 75 3HZ LYS 9 3HZ LYS 9 -4.571 -0.211 -1.748 76 H ILE 10 H ILE 10 -4.328 2.641 4.442 77 HA ILE 10 HA ILE 10 -2.779 4.872 3.923 78 HB ILE 10 HB ILE 10 -3.208 3.442 6.549 79 2HG1 ILE 10 2HG1 ILE 10 -5.277 4.004 5.163 80 1HG2 ILE 10 1HG2 ILE 10 -2.941 5.754 7.489 81 2HG2 ILE 10 2HG2 ILE 10 -1.457 5.042 6.809 82 3HG2 ILE 10 3HG2 ILE 10 -2.357 6.271 5.888 83 1HD1 ILE 10 1HD1 ILE 10 -6.464 4.955 7.125 84 2HD1 ILE 10 2HD1 ILE 10 -5.350 3.659 7.621 85 3HD1 ILE 10 3HD1 ILE 10 -4.899 5.361 7.873 86 H ALA 11 H ALA 11 -1.801 1.829 5.664 87 HA ALA 11 HA ALA 11 0.939 2.568 5.607 88 1HB ALA 11 1HB ALA 11 -0.444 -0.091 6.151 89 2HB ALA 11 2HB ALA 11 1.259 0.281 6.509 90 3HB ALA 11 3HB ALA 11 -0.041 1.148 7.363 91 H HIS 12 H HIS 12 0.927 -0.667 4.756 92 HA HIS 12 HA HIS 12 1.800 -1.702 3.016 93 2HB HIS 12 2HB HIS 12 0.436 -0.713 0.797 94 HD1 HIS 12 1HD HIS 12 1.093 -3.290 3.206 95 HD2 HIS 12 2HD HIS 12 -1.955 -2.576 0.415 96 HE1 HIS 12 1HE HIS 12 -0.063 -5.531 2.820 97 H GLY 13 H GLY 13 3.879 -1.365 2.419 98 1HA GLY 13 1HA GLY 13 5.405 -0.525 0.850 99 2HA GLY 13 2HA GLY 13 4.444 0.932 0.678 100 H VAL 14 H VAL 14 4.342 0.394 3.944 101 HA VAL 14 HA VAL 14 6.935 1.656 4.452 102 HB VAL 14 HB VAL 14 4.800 3.200 4.246 103 1HG1 VAL 14 1HG1 VAL 14 3.343 2.104 5.784 104 2HG1 VAL 14 2HG1 VAL 14 4.596 2.059 7.047 105 3HG1 VAL 14 3HG1 VAL 14 3.873 3.613 6.567 106 1HG2 VAL 14 1HG2 VAL 14 6.754 4.316 4.722 107 2HG2 VAL 14 2HG2 VAL 14 5.873 4.559 6.249 108 3HG2 VAL 14 3HG2 VAL 14 7.126 3.299 6.134 109 H LYS 15 H LYS 15 3.960 0.077 5.768 110 HA LYS 15 HA LYS 15 5.206 -0.590 8.225 111 2HB LYS 15 2HB LYS 15 2.626 -1.255 6.853 112 2HG LYS 15 2HG LYS 15 4.037 -2.937 8.834 113 2HD LYS 15 2HD LYS 15 2.573 -1.615 10.383 114 2HE LYS 15 2HE LYS 15 0.174 -2.850 9.010 115 1HZ LYS 15 1HZ LYS 15 -0.626 -0.629 10.011 116 2HZ LYS 15 2HZ LYS 15 -0.404 -1.921 10.985 117 3HZ LYS 15 3HZ LYS 15 0.720 -0.738 10.928 118 H LYS 16 H LYS 16 5.012 -2.044 4.998 119 HA LYS 16 HA LYS 16 6.414 -4.395 6.064 120 2HB LYS 16 2HB LYS 16 4.896 -5.575 4.948 121 2HG LYS 16 2HG LYS 16 3.227 -4.454 3.396 122 2HD LYS 16 2HD LYS 16 2.780 -2.602 5.471 123 2HE LYS 16 2HE LYS 16 1.550 -4.872 4.409 124 1HZ LYS 16 1HZ LYS 16 2.893 -5.875 6.432 125 2HZ LYS 16 2HZ LYS 16 1.552 -5.400 7.237 126 3HZ LYS 16 3HZ LYS 16 1.426 -6.438 5.982 127 H TYR 17 H TYR 17 6.417 -1.728 3.685 128 HA TYR 17 HA TYR 17 8.912 -2.639 2.545 129 2HB TYR 17 2HB TYR 17 8.434 -0.121 1.569 130 HD1 TYR 17 1HD TYR 17 8.738 -0.599 -0.675 131 HD2 TYR 17 2HD TYR 17 5.919 -2.918 1.556 132 HE1 TYR 17 1HE TYR 17 8.117 -1.884 -2.780 133 HE2 TYR 17 2HE TYR 17 5.306 -4.195 -0.556 134 HH TYR 17 HH TYR 17 5.489 -3.439 -3.230 135 H GLY 18 H GLY 18 7.902 0.601 3.834 136 1HA GLY 18 1HA GLY 18 9.082 1.360 5.868 137 2HA GLY 18 2HA GLY 18 10.557 0.764 5.131 138 HA PRO 19 HA PRO 19 10.717 4.270 2.478 139 2HB PRO 19 2HB PRO 19 11.732 3.298 0.655 140 2HG PRO 19 2HG PRO 19 11.209 1.073 0.334 141 2HD PRO 19 2HD PRO 19 10.616 0.482 2.476 142 H THR 20 H THR 20 8.121 3.030 0.457 143 HA THR 20 HA THR 20 6.741 5.138 -0.131 144 HB THR 20 HB THR 20 6.132 2.380 0.425 145 HG1 THR 20 1HG THR 20 4.856 2.886 -1.390 146 1HG2 THR 20 1HG2 THR 20 4.672 3.039 2.282 147 2HG2 THR 20 2HG2 THR 20 4.024 4.404 1.340 148 3HG2 THR 20 3HG2 THR 20 3.642 2.733 0.864 149 H VAL 21 H VAL 21 7.354 6.906 1.249 150 HA VAL 21 HA VAL 21 7.099 7.289 3.829 151 HB VAL 21 HB VAL 21 7.449 9.334 3.079 152 1HG1 VAL 21 1HG1 VAL 21 7.968 8.670 0.891 153 2HG1 VAL 21 2HG1 VAL 21 6.276 8.271 0.508 154 3HG1 VAL 21 3HG1 VAL 21 6.776 9.972 0.669 155 1HG2 VAL 21 1HG2 VAL 21 5.675 10.814 2.961 156 2HG2 VAL 21 2HG2 VAL 21 4.650 9.684 2.046 157 3HG2 VAL 21 3HG2 VAL 21 4.922 9.429 3.787 158 H LEU 22 H LEU 22 5.511 7.679 5.438 159 HA LEU 22 HA LEU 22 2.815 7.918 5.026 160 2HB LEU 22 2HB LEU 22 3.668 5.032 5.262 161 HG LEU 22 HG LEU 22 1.308 4.427 5.231 162 1HD1 LEU 22 1HD1 LEU 22 1.406 6.210 7.609 163 2HD1 LEU 22 2HD1 LEU 22 1.053 4.470 7.483 164 3HD1 LEU 22 3HD1 LEU 22 2.736 5.043 7.408 165 1HD2 LEU 22 1HD2 LEU 22 0.526 7.261 5.863 166 2HD2 LEU 22 2HD2 LEU 22 0.653 6.703 4.178 167 3HD2 LEU 22 3HD2 LEU 22 -0.479 5.905 5.297 168 H ARG 23 H ARG 23 2.424 9.026 6.859 169 HA ARG 23 HA ARG 23 2.575 9.697 8.918 170 2HB ARG 23 2HB ARG 23 2.353 7.742 10.677 171 2HG ARG 23 2HG ARG 23 0.032 7.114 9.410 172 2HD ARG 23 2HD ARG 23 -0.484 9.750 10.164 173 HE ARG 23 HE ARG 23 -0.891 7.178 11.290 174 1HH1 ARG 23 1HH1 ARG 23 -2.352 8.192 14.292 175 2HH1 ARG 23 2HH1 ARG 23 -2.122 6.875 13.190 176 1HH2 ARG 23 1HH2 ARG 23 -1.409 10.262 13.840 177 2HH2 ARG 23 2HH2 ARG 23 -0.475 10.493 12.398 178 H ILE 24 H ILE 24 5.174 8.664 7.468 179 HA ILE 24 HA ILE 24 6.817 8.657 9.901 180 HB ILE 24 HB ILE 24 8.418 7.223 8.639 181 2HG1 ILE 24 2HG1 ILE 24 7.174 7.812 6.398 182 1HG2 ILE 24 1HG2 ILE 24 5.986 5.559 8.811 183 2HG2 ILE 24 2HG2 ILE 24 7.559 5.395 9.626 184 3HG2 ILE 24 3HG2 ILE 24 6.348 6.540 10.251 185 1HD1 ILE 24 1HD1 ILE 24 9.211 6.330 6.705 186 2HD1 ILE 24 2HD1 ILE 24 8.102 4.955 6.929 187 3HD1 ILE 24 3HD1 ILE 24 8.138 5.826 5.378 188 H ILE 25 H ILE 25 6.679 9.312 6.340 189 HA ILE 25 HA ILE 25 8.548 11.522 6.849 190 HB ILE 25 HB ILE 25 8.395 10.643 4.090 191 2HG1 ILE 25 2HG1 ILE 25 8.041 8.434 4.728 192 1HG2 ILE 25 1HG2 ILE 25 10.904 10.444 5.653 193 2HG2 ILE 25 2HG2 ILE 25 10.576 11.223 4.087 194 3HG2 ILE 25 3HG2 ILE 25 10.130 12.046 5.600 195 1HD1 ILE 25 1HD1 ILE 25 10.341 8.953 3.533 196 2HD1 ILE 25 2HD1 ILE 25 11.044 8.465 5.095 197 3HD1 ILE 25 3HD1 ILE 25 10.035 7.322 4.177 198 H ARG 26 H ARG 26 5.584 10.354 5.209 199 HA ARG 26 HA ARG 26 4.024 11.408 4.106 200 2HB ARG 26 2HB ARG 26 2.749 12.604 5.599 201 2HG ARG 26 2HG ARG 26 4.944 12.773 7.623 202 2HD ARG 26 2HD ARG 26 2.309 11.241 7.700 203 HE ARG 26 HE ARG 26 4.357 11.623 9.616 204 1HH1 ARG 26 1HH1 ARG 26 2.391 11.431 12.494 205 2HH1 ARG 26 2HH1 ARG 26 3.998 11.325 11.853 206 1HH2 ARG 26 1HH2 ARG 26 0.606 11.879 11.081 207 2HH2 ARG 26 2HH2 ARG 26 0.879 12.105 9.385 208 H ILE 27 H ILE 27 6.956 12.251 3.522 209 HA ILE 27 HA ILE 27 6.285 14.789 2.202 210 HB ILE 27 HB ILE 27 8.940 13.911 3.342 211 2HG1 ILE 27 2HG1 ILE 27 6.742 15.049 4.647 212 1HG2 ILE 27 1HG2 ILE 27 9.765 15.231 1.726 213 2HG2 ILE 27 2HG2 ILE 27 8.189 15.993 1.398 214 3HG2 ILE 27 3HG2 ILE 27 9.191 16.563 2.755 215 1HD1 ILE 27 1HD1 ILE 27 9.077 13.870 5.353 216 2HD1 ILE 27 2HD1 ILE 27 9.501 15.564 5.695 217 3HD1 ILE 27 3HD1 ILE 27 8.099 14.817 6.500 218 H ALA 28 H ALA 28 8.378 11.826 2.092 219 HA ALA 28 HA ALA 28 8.682 10.429 0.358 220 1HB ALA 28 1HB ALA 28 7.588 12.279 -1.718 221 2HB ALA 28 2HB ALA 28 7.374 10.522 -1.524 222 3HB ALA 28 3HB ALA 28 6.441 11.650 -0.510 223 H GLY 29 H GLY 29 10.488 12.413 1.426 224 1HA GLY 29 1HA GLY 29 11.806 14.030 -0.339 225 2HA GLY 29 2HA GLY 29 12.568 13.155 0.977 Start of MODEL 18 1 H ARG 1 H ARG 1 -10.368 5.626 -7.155 2 HA ARG 1 HA ARG 1 -8.605 5.821 -5.590 3 2HB ARG 1 2HB ARG 1 -9.458 7.941 -4.338 4 2HG ARG 1 2HG ARG 1 -9.192 7.430 -7.233 5 2HD ARG 1 2HD ARG 1 -11.386 9.119 -6.392 6 HE ARG 1 HE ARG 1 -9.012 10.646 -6.864 7 1HH1 ARG 1 1HH1 ARG 1 -10.618 13.559 -7.918 8 2HH1 ARG 1 2HH1 ARG 1 -9.137 12.880 -7.329 9 1HH2 ARG 1 1HH2 ARG 1 -12.473 12.203 -8.234 10 2HH2 ARG 1 2HH2 ARG 1 -12.377 10.508 -7.880 11 H GLY 2 H GLY 2 -7.863 5.722 -3.363 12 1HA GLY 2 1HA GLY 2 -9.738 4.288 -1.590 13 2HA GLY 2 2HA GLY 2 -7.991 4.151 -1.574 14 H LEU 3 H LEU 3 -9.801 4.856 0.668 15 HA LEU 3 HA LEU 3 -8.369 7.198 1.525 16 2HB LEU 3 2HB LEU 3 -10.540 8.325 2.212 17 HG LEU 3 HG LEU 3 -10.033 8.159 -0.773 18 1HD1 LEU 3 1HD1 LEU 3 -12.087 9.204 -0.624 19 2HD1 LEU 3 2HD1 LEU 3 -11.707 9.977 0.932 20 3HD1 LEU 3 3HD1 LEU 3 -10.966 10.584 -0.567 21 1HD2 LEU 3 1HD2 LEU 3 -8.391 9.189 1.331 22 2HD2 LEU 3 2HD2 LEU 3 -8.115 9.213 -0.428 23 3HD2 LEU 3 3HD2 LEU 3 -8.994 10.549 0.353 24 H ARG 4 H ARG 4 -7.487 5.456 2.873 25 HA ARG 4 HA ARG 4 -7.543 3.981 4.513 26 2HB ARG 4 2HB ARG 4 -7.044 5.642 6.028 27 2HG ARG 4 2HG ARG 4 -8.612 7.660 6.354 28 2HD ARG 4 2HD ARG 4 -8.112 7.983 3.535 29 HE ARG 4 HE ARG 4 -7.343 9.233 5.957 30 1HH1 ARG 4 1HH1 ARG 4 -4.872 11.335 4.672 31 2HH1 ARG 4 2HH1 ARG 4 -5.942 11.038 6.001 32 1HH2 ARG 4 1HH2 ARG 4 -4.858 9.900 2.849 33 2HH2 ARG 4 2HH2 ARG 4 -5.921 8.531 2.817 34 H ARG 5 H ARG 5 -9.005 2.305 3.838 35 HA ARG 5 HA ARG 5 -11.206 1.982 5.509 36 2HB ARG 5 2HB ARG 5 -12.576 1.775 3.023 37 2HG ARG 5 2HG ARG 5 -13.318 4.231 4.241 38 2HD ARG 5 2HD ARG 5 -14.368 1.449 4.931 39 HE ARG 5 HE ARG 5 -15.329 4.124 5.474 40 1HH1 ARG 5 1HH1 ARG 5 -18.579 3.124 6.256 41 2HH1 ARG 5 2HH1 ARG 5 -17.418 4.405 6.355 42 1HH2 ARG 5 1HH2 ARG 5 -18.013 1.120 5.230 43 2HH2 ARG 5 2HH2 ARG 5 -16.429 0.907 4.563 44 H LEU 6 H LEU 6 -9.449 1.189 2.489 45 HA LEU 6 HA LEU 6 -10.474 -1.446 2.274 46 2HB LEU 6 2HB LEU 6 -8.546 -1.709 0.686 47 HG LEU 6 HG LEU 6 -10.531 0.525 0.353 48 1HD1 LEU 6 1HD1 LEU 6 -8.828 -0.215 -1.981 49 2HD1 LEU 6 2HD1 LEU 6 -9.679 1.306 -1.609 50 3HD1 LEU 6 3HD1 LEU 6 -8.158 0.910 -0.775 51 1HD2 LEU 6 1HD2 LEU 6 -11.768 -1.198 -0.306 52 2HD2 LEU 6 2HD2 LEU 6 -10.715 -1.311 -1.738 53 3HD2 LEU 6 3HD2 LEU 6 -10.367 -2.298 -0.299 54 H GLY 7 H GLY 7 -8.539 0.006 4.605 55 1HA GLY 7 1HA GLY 7 -7.285 -0.821 6.277 56 2HA GLY 7 2HA GLY 7 -7.911 -2.409 5.884 57 H ARG 8 H ARG 8 -6.327 -0.656 3.282 58 HA ARG 8 HA ARG 8 -3.769 -1.760 3.893 59 2HB ARG 8 2HB ARG 8 -4.874 -3.705 2.821 60 2HG ARG 8 2HG ARG 8 -5.513 -1.640 0.688 61 2HD ARG 8 2HD ARG 8 -4.303 -3.830 -0.186 62 HE ARG 8 HE ARG 8 -5.486 -5.680 0.667 63 1HH1 ARG 8 1HH1 ARG 8 -8.844 -6.541 0.279 64 2HH1 ARG 8 2HH1 ARG 8 -7.284 -7.082 0.803 65 1HH2 ARG 8 1HH2 ARG 8 -9.106 -4.393 -0.560 66 2HH2 ARG 8 2HH2 ARG 8 -7.741 -3.331 -0.663 67 H LYS 9 H LYS 9 -4.670 0.918 3.663 68 HA LYS 9 HA LYS 9 -3.370 1.708 1.152 69 2HB LYS 9 2HB LYS 9 -5.784 3.022 2.436 70 2HG LYS 9 2HG LYS 9 -3.958 3.744 0.129 71 2HD LYS 9 2HD LYS 9 -6.904 4.493 0.430 72 2HE LYS 9 2HE LYS 9 -6.409 5.775 -1.741 73 1HZ LYS 9 1HZ LYS 9 -5.301 7.591 -0.469 74 2HZ LYS 9 2HZ LYS 9 -6.681 7.025 0.194 75 3HZ LYS 9 3HZ LYS 9 -5.238 6.588 0.819 76 H ILE 10 H ILE 10 -4.277 2.617 4.536 77 HA ILE 10 HA ILE 10 -2.649 4.833 4.747 78 HB ILE 10 HB ILE 10 -3.381 2.824 6.880 79 2HG1 ILE 10 2HG1 ILE 10 -5.275 3.804 5.466 80 1HG2 ILE 10 1HG2 ILE 10 -2.151 5.550 6.949 81 2HG2 ILE 10 2HG2 ILE 10 -3.282 5.077 8.240 82 3HG2 ILE 10 3HG2 ILE 10 -1.815 4.115 7.944 83 1HD1 ILE 10 1HD1 ILE 10 -6.636 3.620 7.302 84 2HD1 ILE 10 2HD1 ILE 10 -5.139 3.120 8.124 85 3HD1 ILE 10 3HD1 ILE 10 -5.697 4.806 8.238 86 H ALA 11 H ALA 11 -1.895 1.409 5.714 87 HA ALA 11 HA ALA 11 0.897 2.128 5.936 88 1HB ALA 11 1HB ALA 11 -0.521 -0.544 6.292 89 2HB ALA 11 2HB ALA 11 1.136 -0.146 6.802 90 3HB ALA 11 3HB ALA 11 -0.251 0.646 7.585 91 H HIS 12 H HIS 12 0.913 -1.029 4.962 92 HA HIS 12 HA HIS 12 1.814 -1.984 3.185 93 2HB HIS 12 2HB HIS 12 0.346 -1.009 1.024 94 HD1 HIS 12 1HD HIS 12 1.208 -3.611 3.333 95 HD2 HIS 12 2HD HIS 12 -1.963 -2.982 0.660 96 HE1 HIS 12 1HE HIS 12 0.160 -5.899 2.917 97 H GLY 13 H GLY 13 3.859 -1.534 2.548 98 1HA GLY 13 1HA GLY 13 5.316 -0.594 0.981 99 2HA GLY 13 2HA GLY 13 4.272 0.805 0.825 100 H VAL 14 H VAL 14 4.273 0.213 4.098 101 HA VAL 14 HA VAL 14 6.782 1.646 4.568 102 HB VAL 14 HB VAL 14 4.641 3.107 4.402 103 1HG1 VAL 14 1HG1 VAL 14 4.308 1.968 7.198 104 2HG1 VAL 14 2HG1 VAL 14 3.391 3.326 6.502 105 3HG1 VAL 14 3HG1 VAL 14 3.217 1.691 5.820 106 1HG2 VAL 14 1HG2 VAL 14 5.559 4.670 5.957 107 2HG2 VAL 14 2HG2 VAL 14 6.334 3.377 6.902 108 3HG2 VAL 14 3HG2 VAL 14 6.924 3.760 5.267 109 H LYS 15 H LYS 15 3.951 -0.159 5.910 110 HA LYS 15 HA LYS 15 5.259 -0.752 8.347 111 2HB LYS 15 2HB LYS 15 3.287 -2.649 8.069 112 2HG LYS 15 2HG LYS 15 2.858 0.273 8.846 113 2HD LYS 15 2HD LYS 15 1.667 -2.226 10.105 114 2HE LYS 15 2HE LYS 15 0.668 0.658 9.988 115 1HZ LYS 15 1HZ LYS 15 -1.057 -0.774 10.510 116 2HZ LYS 15 2HZ LYS 15 -0.134 -1.759 11.429 117 3HZ LYS 15 3HZ LYS 15 -0.536 -0.272 11.973 118 H LYS 16 H LYS 16 5.203 -2.177 5.102 119 HA LYS 16 HA LYS 16 6.827 -4.391 6.143 120 2HB LYS 16 2HB LYS 16 5.426 -5.720 5.044 121 2HG LYS 16 2HG LYS 16 3.594 -4.784 3.573 122 2HD LYS 16 2HD LYS 16 3.156 -2.929 5.708 123 2HE LYS 16 2HE LYS 16 2.134 -5.512 4.728 124 1HZ LYS 16 1HZ LYS 16 2.409 -5.043 7.583 125 2HZ LYS 16 2HZ LYS 16 1.044 -5.749 7.035 126 3HZ LYS 16 3HZ LYS 16 2.492 -6.448 6.754 127 H TYR 17 H TYR 17 6.527 -1.731 3.775 128 HA TYR 17 HA TYR 17 9.094 -2.393 2.606 129 2HB TYR 17 2HB TYR 17 8.326 0.038 1.593 130 HD1 TYR 17 1HD TYR 17 5.970 -2.881 1.590 131 HD2 TYR 17 2HD TYR 17 8.846 -0.585 -0.589 132 HE1 TYR 17 1HE TYR 17 5.496 -4.255 -0.494 133 HE2 TYR 17 2HE TYR 17 8.364 -1.967 -2.668 134 HH TYR 17 HH TYR 17 6.712 -4.874 -2.555 135 H GLY 18 H GLY 18 7.774 0.781 3.756 136 1HA GLY 18 1HA GLY 18 8.833 1.735 5.772 137 2HA GLY 18 2HA GLY 18 10.372 1.225 5.107 138 HA PRO 19 HA PRO 19 10.414 4.644 2.370 139 2HB PRO 19 2HB PRO 19 11.821 3.742 0.787 140 2HG PRO 19 2HG PRO 19 11.672 1.451 0.561 141 2HD PRO 19 2HD PRO 19 10.853 0.889 2.636 142 H THR 20 H THR 20 7.800 2.531 1.458 143 HA THR 20 HA THR 20 5.784 2.978 0.592 144 HB THR 20 HB THR 20 4.945 3.664 2.627 145 HG1 THR 20 1HG THR 20 3.916 5.331 1.541 146 1HG2 THR 20 1HG2 THR 20 6.020 5.236 4.125 147 2HG2 THR 20 2HG2 THR 20 7.336 4.264 3.420 148 3HG2 THR 20 3HG2 THR 20 7.014 5.905 2.808 149 H VAL 21 H VAL 21 6.850 6.405 1.018 150 HA VAL 21 HA VAL 21 5.693 7.300 -1.301 151 HB VAL 21 HB VAL 21 6.705 9.277 -0.833 152 1HG1 VAL 21 1HG1 VAL 21 5.812 8.024 1.310 153 2HG1 VAL 21 2HG1 VAL 21 7.521 8.089 1.799 154 3HG1 VAL 21 3HG1 VAL 21 6.636 9.595 1.451 155 1HG2 VAL 21 1HG2 VAL 21 9.157 7.631 -0.523 156 2HG2 VAL 21 2HG2 VAL 21 8.915 9.196 -1.335 157 3HG2 VAL 21 3HG2 VAL 21 9.091 9.131 0.435 158 H LEU 22 H LEU 22 7.544 8.547 -2.935 159 HA LEU 22 HA LEU 22 9.310 8.185 -4.339 160 2HB LEU 22 2HB LEU 22 9.159 5.216 -3.929 161 HG LEU 22 HG LEU 22 11.592 5.312 -4.247 162 1HD1 LEU 22 1HD1 LEU 22 10.655 6.737 -6.667 163 2HD1 LEU 22 2HD1 LEU 22 11.437 5.148 -6.490 164 3HD1 LEU 22 3HD1 LEU 22 9.694 5.323 -6.168 165 1HD2 LEU 22 1HD2 LEU 22 12.825 7.185 -4.387 166 2HD2 LEU 22 2HD2 LEU 22 11.599 8.054 -5.337 167 3HD2 LEU 22 3HD2 LEU 22 11.437 7.938 -3.568 168 H ARG 23 H ARG 23 7.422 5.115 -4.659 169 HA ARG 23 HA ARG 23 6.862 5.832 -7.349 170 2HB ARG 23 2HB ARG 23 7.349 3.484 -6.760 171 2HG ARG 23 2HG ARG 23 4.957 3.859 -4.926 172 2HD ARG 23 2HD ARG 23 4.883 1.752 -6.576 173 HE ARG 23 HE ARG 23 6.504 0.422 -4.500 174 1HH1 ARG 23 1HH1 ARG 23 8.902 -0.573 -6.832 175 2HH1 ARG 23 2HH1 ARG 23 8.326 -0.760 -5.209 176 1HH2 ARG 23 1HH2 ARG 23 7.821 0.875 -8.287 177 2HH2 ARG 23 2HH2 ARG 23 6.440 1.771 -7.751 178 H ILE 24 H ILE 24 5.634 7.111 -4.670 179 HA ILE 24 HA ILE 24 2.919 7.210 -5.764 180 HB ILE 24 HB ILE 24 2.284 7.444 -3.234 181 2HG1 ILE 24 2HG1 ILE 24 4.874 7.145 -2.743 182 1HG2 ILE 24 1HG2 ILE 24 2.607 5.055 -4.977 183 2HG2 ILE 24 2HG2 ILE 24 2.213 4.775 -3.265 184 3HG2 ILE 24 3HG2 ILE 24 1.142 5.779 -4.271 185 1HD1 ILE 24 1HD1 ILE 24 2.587 5.858 -1.185 186 2HD1 ILE 24 2HD1 ILE 24 4.224 6.103 -0.530 187 3HD1 ILE 24 3HD1 ILE 24 3.228 7.506 -0.982 188 H ILE 25 H ILE 25 5.468 8.681 -3.677 189 HA ILE 25 HA ILE 25 4.246 11.285 -4.265 190 HB ILE 25 HB ILE 25 6.257 11.075 -2.119 191 2HG1 ILE 25 2HG1 ILE 25 5.110 8.972 -1.733 192 1HG2 ILE 25 1HG2 ILE 25 5.355 13.041 -1.640 193 2HG2 ILE 25 2HG2 ILE 25 4.190 12.836 -2.971 194 3HG2 ILE 25 3HG2 ILE 25 3.784 12.264 -1.335 195 1HD1 ILE 25 1HD1 ILE 25 4.521 9.323 0.524 196 2HD1 ILE 25 2HD1 ILE 25 5.580 10.710 0.178 197 3HD1 ILE 25 3HD1 ILE 25 3.813 10.922 0.188 198 H ARG 26 H ARG 26 7.010 9.165 -4.671 199 HA ARG 26 HA ARG 26 8.988 9.442 -5.534 200 2HB ARG 26 2HB ARG 26 8.879 10.022 -7.779 201 2HG ARG 26 2HG ARG 26 6.077 10.692 -7.931 202 2HD ARG 26 2HD ARG 26 6.196 7.995 -8.404 203 HE ARG 26 HE ARG 26 7.385 9.585 -10.549 204 1HH1 ARG 26 1HH1 ARG 26 4.298 10.276 -12.026 205 2HH1 ARG 26 2HH1 ARG 26 6.018 10.310 -12.231 206 1HH2 ARG 26 1HH2 ARG 26 3.382 9.495 -10.041 207 2HH2 ARG 26 2HH2 ARG 26 4.418 8.946 -8.767 208 H ILE 27 H ILE 27 8.017 11.546 -3.442 209 HA ILE 27 HA ILE 27 10.091 13.537 -4.047 210 HB ILE 27 HB ILE 27 7.497 13.943 -2.555 211 2HG1 ILE 27 2HG1 ILE 27 7.940 13.864 -5.320 212 1HG2 ILE 27 1HG2 ILE 27 9.954 15.598 -2.883 213 2HG2 ILE 27 2HG2 ILE 27 8.379 16.424 -2.969 214 3HG2 ILE 27 3HG2 ILE 27 8.812 15.484 -1.521 215 1HD1 ILE 27 1HD1 ILE 27 5.718 15.542 -4.192 216 2HD1 ILE 27 2HD1 ILE 27 5.655 14.240 -5.403 217 3HD1 ILE 27 3HD1 ILE 27 5.804 13.840 -3.675 218 H ALA 28 H ALA 28 8.245 11.850 -1.419 219 HA ALA 28 HA ALA 28 8.878 11.103 0.563 220 1HB ALA 28 1HB ALA 28 10.997 10.084 0.758 221 2HB ALA 28 2HB ALA 28 10.681 10.065 -0.993 222 3HB ALA 28 3HB ALA 28 11.774 11.287 -0.299 223 H GLY 29 H GLY 29 8.493 13.951 0.117 224 1HA GLY 29 1HA GLY 29 9.108 16.001 0.926 225 2HA GLY 29 2HA GLY 29 8.953 15.120 2.432 Start of MODEL 19 1 H ARG 1 H ARG 1 -1.109 -0.923 -5.137 2 HA ARG 1 HA ARG 1 -1.499 0.687 -2.747 3 2HB ARG 1 2HB ARG 1 -2.982 2.054 -4.612 4 2HG ARG 1 2HG ARG 1 -0.036 2.350 -3.889 5 2HD ARG 1 2HD ARG 1 -1.457 3.666 -6.025 6 HE ARG 1 HE ARG 1 -1.827 5.157 -3.697 7 1HH1 ARG 1 1HH1 ARG 1 -1.355 8.388 -4.928 8 2HH1 ARG 1 2HH1 ARG 1 -2.037 7.432 -3.653 9 1HH2 ARG 1 1HH2 ARG 1 -0.232 7.359 -6.678 10 2HH2 ARG 1 2HH2 ARG 1 -0.072 5.634 -6.711 11 H GLY 2 H GLY 2 -3.994 1.319 -2.576 12 1HA GLY 2 1HA GLY 2 -5.776 -0.653 -3.757 13 2HA GLY 2 2HA GLY 2 -5.543 -0.778 -2.024 14 H LEU 3 H LEU 3 -7.800 -0.223 -1.673 15 HA LEU 3 HA LEU 3 -8.473 2.538 -2.368 16 2HB LEU 3 2HB LEU 3 -10.655 1.122 -1.212 17 HG LEU 3 HG LEU 3 -10.563 2.912 -3.129 18 1HD1 LEU 3 1HD1 LEU 3 -9.454 2.073 -4.915 19 2HD1 LEU 3 2HD1 LEU 3 -9.875 0.387 -4.533 20 3HD1 LEU 3 3HD1 LEU 3 -11.070 1.448 -5.318 21 1HD2 LEU 3 1HD2 LEU 3 -12.792 2.483 -3.594 22 2HD2 LEU 3 2HD2 LEU 3 -12.573 0.717 -3.550 23 3HD2 LEU 3 3HD2 LEU 3 -12.555 1.654 -2.037 24 H ARG 4 H ARG 4 -9.695 3.794 -0.655 25 HA ARG 4 HA ARG 4 -8.216 3.485 1.782 26 2HB ARG 4 2HB ARG 4 -8.307 5.745 0.995 27 2HG ARG 4 2HG ARG 4 -11.219 5.102 0.472 28 2HD ARG 4 2HD ARG 4 -10.540 7.435 1.822 29 HE ARG 4 HE ARG 4 -9.456 8.663 0.113 30 1HH1 ARG 4 1HH1 ARG 4 -10.733 9.691 -2.966 31 2HH1 ARG 4 2HH1 ARG 4 -9.455 9.890 -1.815 32 1HH2 ARG 4 1HH2 ARG 4 -12.446 8.182 -2.551 33 2HH2 ARG 4 2HH2 ARG 4 -12.446 7.252 -1.090 34 H ARG 5 H ARG 5 -9.360 1.461 2.453 35 HA ARG 5 HA ARG 5 -11.218 1.886 4.354 36 2HB ARG 5 2HB ARG 5 -13.116 0.527 2.825 37 2HG ARG 5 2HG ARG 5 -12.752 3.253 3.918 38 2HD ARG 5 2HD ARG 5 -15.149 3.182 2.200 39 HE ARG 5 HE ARG 5 -13.321 5.392 1.883 40 1HH1 ARG 5 1HH1 ARG 5 -14.708 7.327 4.436 41 2HH1 ARG 5 2HH1 ARG 5 -13.678 7.328 3.043 42 1HH2 ARG 5 1HH2 ARG 5 -15.725 5.356 5.123 43 2HH2 ARG 5 2HH2 ARG 5 -15.453 3.888 4.246 44 H LEU 6 H LEU 6 -9.832 -0.168 1.822 45 HA LEU 6 HA LEU 6 -10.636 -2.646 2.919 46 2HB LEU 6 2HB LEU 6 -8.776 -3.509 1.445 47 HG LEU 6 HG LEU 6 -10.975 -1.787 0.320 48 1HD1 LEU 6 1HD1 LEU 6 -8.820 -1.792 -1.123 49 2HD1 LEU 6 2HD1 LEU 6 -9.257 -3.481 -1.472 50 3HD1 LEU 6 3HD1 LEU 6 -10.383 -2.166 -1.888 51 1HD2 LEU 6 1HD2 LEU 6 -11.399 -4.044 1.395 52 2HD2 LEU 6 2HD2 LEU 6 -12.012 -3.828 -0.261 53 3HD2 LEU 6 3HD2 LEU 6 -10.520 -4.758 0.022 54 H GLY 7 H GLY 7 -8.610 -0.219 4.115 55 1HA GLY 7 1HA GLY 7 -7.343 -0.203 5.990 56 2HA GLY 7 2HA GLY 7 -7.638 -1.917 6.204 57 H ARG 8 H ARG 8 -6.516 -1.056 3.021 58 HA ARG 8 HA ARG 8 -3.803 -1.717 3.836 59 2HB ARG 8 2HB ARG 8 -3.901 -2.764 1.301 60 2HG ARG 8 2HG ARG 8 -3.294 -3.820 3.636 61 2HD ARG 8 2HD ARG 8 -6.025 -5.100 3.195 62 HE ARG 8 HE ARG 8 -5.021 -6.537 4.732 63 1HH1 ARG 8 1HH1 ARG 8 -3.071 -5.903 7.556 64 2HH1 ARG 8 2HH1 ARG 8 -3.881 -7.119 6.626 65 1HH2 ARG 8 1HH2 ARG 8 -3.145 -3.683 6.881 66 2HH2 ARG 8 2HH2 ARG 8 -4.010 -3.242 5.447 67 H LYS 9 H LYS 9 -4.566 0.925 3.608 68 HA LYS 9 HA LYS 9 -3.328 1.685 1.064 69 2HB LYS 9 2HB LYS 9 -5.775 2.974 2.308 70 2HG LYS 9 2HG LYS 9 -3.879 4.369 1.004 71 2HD LYS 9 2HD LYS 9 -5.557 3.066 -1.191 72 2HE LYS 9 2HE LYS 9 -3.506 5.318 -1.425 73 1HZ LYS 9 1HZ LYS 9 -5.015 3.696 -3.274 74 2HZ LYS 9 2HZ LYS 9 -4.898 5.285 -3.635 75 3HZ LYS 9 3HZ LYS 9 -3.545 4.386 -3.453 76 H ILE 10 H ILE 10 -4.238 2.604 4.439 77 HA ILE 10 HA ILE 10 -2.642 4.852 4.625 78 HB ILE 10 HB ILE 10 -3.353 2.861 6.781 79 2HG1 ILE 10 2HG1 ILE 10 -5.260 3.787 5.354 80 1HG2 ILE 10 1HG2 ILE 10 -3.102 5.730 7.421 81 2HG2 ILE 10 2HG2 ILE 10 -2.586 4.293 8.336 82 3HG2 ILE 10 3HG2 ILE 10 -1.579 4.908 7.002 83 1HD1 ILE 10 1HD1 ILE 10 -5.482 2.896 7.720 84 2HD1 ILE 10 2HD1 ILE 10 -5.274 4.564 8.305 85 3HD1 ILE 10 3HD1 ILE 10 -6.678 4.143 7.295 86 H ALA 11 H ALA 11 -1.851 1.467 5.701 87 HA ALA 11 HA ALA 11 0.940 2.222 5.851 88 1HB ALA 11 1HB ALA 11 -0.068 0.850 7.624 89 2HB ALA 11 2HB ALA 11 -0.533 -0.384 6.428 90 3HB ALA 11 3HB ALA 11 1.187 -0.075 6.764 91 H HIS 12 H HIS 12 0.951 -0.991 5.053 92 HA HIS 12 HA HIS 12 1.826 -2.039 3.318 93 2HB HIS 12 2HB HIS 12 0.339 -1.178 1.124 94 HD1 HIS 12 1HD HIS 12 1.219 -3.654 3.560 95 HD2 HIS 12 2HD HIS 12 -1.985 -3.156 0.898 96 HE1 HIS 12 1HE HIS 12 0.155 -5.957 3.282 97 H GLY 13 H GLY 13 3.865 -1.632 2.635 98 1HA GLY 13 1HA GLY 13 5.303 -0.778 0.998 99 2HA GLY 13 2HA GLY 13 4.265 0.620 0.795 100 H VAL 14 H VAL 14 4.296 0.205 4.085 101 HA VAL 14 HA VAL 14 6.822 1.639 4.450 102 HB VAL 14 HB VAL 14 4.685 3.096 4.257 103 1HG1 VAL 14 1HG1 VAL 14 3.453 3.398 6.352 104 2HG1 VAL 14 2HG1 VAL 14 3.284 1.732 5.753 105 3HG1 VAL 14 3HG1 VAL 14 4.385 2.083 7.106 106 1HG2 VAL 14 1HG2 VAL 14 5.592 4.693 5.846 107 2HG2 VAL 14 2HG2 VAL 14 6.498 3.404 6.674 108 3HG2 VAL 14 3HG2 VAL 14 6.925 3.863 5.009 109 H LYS 15 H LYS 15 4.017 -0.102 5.921 110 HA LYS 15 HA LYS 15 5.389 -0.597 8.353 111 2HB LYS 15 2HB LYS 15 3.376 -2.477 8.192 112 2HG LYS 15 2HG LYS 15 3.768 -0.802 10.011 113 2HD LYS 15 2HD LYS 15 2.746 1.076 7.860 114 2HE LYS 15 2HE LYS 15 2.232 1.186 10.830 115 1HZ LYS 15 1HZ LYS 15 3.639 3.041 10.509 116 2HZ LYS 15 2HZ LYS 15 2.891 3.486 9.128 117 3HZ LYS 15 3HZ LYS 15 2.111 3.614 10.556 118 H LYS 16 H LYS 16 5.238 -2.139 5.170 119 HA LYS 16 HA LYS 16 6.841 -4.348 6.258 120 2HB LYS 16 2HB LYS 16 5.398 -5.690 5.232 121 2HG LYS 16 2HG LYS 16 3.546 -4.773 3.773 122 2HD LYS 16 2HD LYS 16 3.184 -2.840 5.852 123 2HE LYS 16 2HE LYS 16 2.270 -5.581 6.460 124 1HZ LYS 16 1HZ LYS 16 1.171 -2.933 6.067 125 2HZ LYS 16 2HZ LYS 16 0.154 -4.199 5.894 126 3HZ LYS 16 3HZ LYS 16 0.949 -3.978 7.302 127 H TYR 17 H TYR 17 6.537 -1.776 3.793 128 HA TYR 17 HA TYR 17 9.053 -2.528 2.583 129 2HB TYR 17 2HB TYR 17 8.338 -0.092 1.547 130 HD1 TYR 17 1HD TYR 17 8.177 -0.358 -0.754 131 HD2 TYR 17 2HD TYR 17 6.468 -3.342 1.792 132 HE1 TYR 17 1HE TYR 17 7.578 -1.762 -2.787 133 HE2 TYR 17 2HE TYR 17 5.876 -4.736 -0.250 134 HH TYR 17 HH TYR 17 7.196 -4.172 -3.258 135 H GLY 18 H GLY 18 7.854 0.687 3.762 136 1HA GLY 18 1HA GLY 18 9.033 1.617 5.728 137 2HA GLY 18 2HA GLY 18 10.524 1.089 4.977 138 HA PRO 19 HA PRO 19 10.383 4.471 2.169 139 2HB PRO 19 2HB PRO 19 11.437 3.487 0.375 140 2HG PRO 19 2HG PRO 19 11.075 1.218 0.168 141 2HD PRO 19 2HD PRO 19 10.562 0.690 2.346 142 H THR 20 H THR 20 7.812 2.887 0.352 143 HA THR 20 HA THR 20 6.269 4.837 -0.369 144 HB THR 20 HB THR 20 5.877 2.109 0.455 145 HG1 THR 20 1HG THR 20 5.102 2.561 -1.573 146 1HG2 THR 20 1HG2 THR 20 3.700 4.072 1.328 147 2HG2 THR 20 2HG2 THR 20 3.370 2.363 0.960 148 3HG2 THR 20 3HG2 THR 20 4.448 2.790 2.310 149 H VAL 21 H VAL 21 6.584 6.813 0.688 150 HA VAL 21 HA VAL 21 6.423 7.356 3.320 151 HB VAL 21 HB VAL 21 6.072 9.558 2.723 152 1HG1 VAL 21 1HG1 VAL 21 7.860 8.134 1.288 153 2HG1 VAL 21 2HG1 VAL 21 6.877 8.799 -0.039 154 3HG1 VAL 21 3HG1 VAL 21 7.656 9.895 1.128 155 1HG2 VAL 21 1HG2 VAL 21 4.039 8.445 0.942 156 2HG2 VAL 21 2HG2 VAL 21 4.132 10.047 1.713 157 3HG2 VAL 21 3HG2 VAL 21 4.976 9.749 0.174 158 H LEU 22 H LEU 22 4.159 9.124 3.685 159 HA LEU 22 HA LEU 22 1.900 9.106 3.950 160 2HB LEU 22 2HB LEU 22 1.743 6.133 3.610 161 HG LEU 22 HG LEU 22 -0.398 6.644 2.513 162 1HD1 LEU 22 1HD1 LEU 22 -0.576 8.053 5.144 163 2HD1 LEU 22 2HD1 LEU 22 -1.602 6.771 4.453 164 3HD1 LEU 22 3HD1 LEU 22 0.005 6.370 5.107 165 1HD2 LEU 22 1HD2 LEU 22 -0.513 9.428 3.492 166 2HD2 LEU 22 2HD2 LEU 22 0.567 9.148 2.104 167 3HD2 LEU 22 3HD2 LEU 22 -1.153 8.699 1.999 168 H ARG 23 H ARG 23 1.176 9.367 6.004 169 HA ARG 23 HA ARG 23 1.197 9.283 8.171 170 2HB ARG 23 2HB ARG 23 1.154 6.734 9.071 171 2HG ARG 23 2HG ARG 23 -1.278 6.668 7.929 172 2HD ARG 23 2HD ARG 23 -0.977 9.029 9.740 173 HE ARG 23 HE ARG 23 -2.878 6.918 9.310 174 1HH1 ARG 23 1HH1 ARG 23 -4.736 7.506 12.205 175 2HH1 ARG 23 2HH1 ARG 23 -4.719 6.737 10.652 176 1HH2 ARG 23 1HH2 ARG 23 -2.892 8.719 12.919 177 2HH2 ARG 23 2HH2 ARG 23 -1.498 8.856 11.901 178 H ILE 24 H ILE 24 3.904 8.816 6.553 179 HA ILE 24 HA ILE 24 5.468 8.290 8.969 180 HB ILE 24 HB ILE 24 7.085 7.016 7.626 181 2HG1 ILE 24 2HG1 ILE 24 6.035 8.081 5.425 182 1HG2 ILE 24 1HG2 ILE 24 4.465 5.595 7.320 183 2HG2 ILE 24 2HG2 ILE 24 6.027 4.998 7.930 184 3HG2 ILE 24 3HG2 ILE 24 5.026 6.064 8.943 185 1HD1 ILE 24 1HD1 ILE 24 7.553 5.570 5.984 186 2HD1 ILE 24 2HD1 ILE 24 6.853 5.705 4.352 187 3HD1 ILE 24 3HD1 ILE 24 7.979 6.950 4.943 188 H ILE 25 H ILE 25 5.463 9.483 5.546 189 HA ILE 25 HA ILE 25 7.249 11.623 6.477 190 HB ILE 25 HB ILE 25 7.351 11.038 3.624 191 2HG1 ILE 25 2HG1 ILE 25 7.129 8.765 4.012 192 1HG2 ILE 25 1HG2 ILE 25 8.924 12.253 5.583 193 2HG2 ILE 25 2HG2 ILE 25 9.827 10.792 5.115 194 3HG2 ILE 25 3HG2 ILE 25 9.348 11.977 3.877 195 1HD1 ILE 25 1HD1 ILE 25 10.042 8.835 4.748 196 2HD1 ILE 25 2HD1 ILE 25 9.212 7.885 3.492 197 3HD1 ILE 25 3HD1 ILE 25 9.559 9.609 3.219 198 H ARG 26 H ARG 26 4.319 10.608 4.804 199 HA ARG 26 HA ARG 26 2.778 11.710 3.718 200 2HB ARG 26 2HB ARG 26 1.578 13.078 5.163 201 2HG ARG 26 2HG ARG 26 3.468 12.922 7.391 202 2HD ARG 26 2HD ARG 26 1.193 10.988 7.062 203 HE ARG 26 HE ARG 26 1.696 11.118 9.342 204 1HH1 ARG 26 1HH1 ARG 26 2.030 13.874 11.457 205 2HH1 ARG 26 2HH1 ARG 26 1.947 12.146 11.368 206 1HH2 ARG 26 1HH2 ARG 26 1.885 15.146 9.521 207 2HH2 ARG 26 2HH2 ARG 26 1.693 14.367 7.986 208 H ILE 27 H ILE 27 5.633 12.371 2.915 209 HA ILE 27 HA ILE 27 5.109 15.034 1.787 210 HB ILE 27 HB ILE 27 7.724 13.757 2.594 211 2HG1 ILE 27 2HG1 ILE 27 5.869 15.231 4.091 212 1HG2 ILE 27 1HG2 ILE 27 7.748 15.097 0.422 213 2HG2 ILE 27 2HG2 ILE 27 7.390 16.520 1.429 214 3HG2 ILE 27 3HG2 ILE 27 8.884 15.593 1.700 215 1HD1 ILE 27 1HD1 ILE 27 7.356 14.800 5.816 216 2HD1 ILE 27 2HD1 ILE 27 7.999 13.663 4.607 217 3HD1 ILE 27 3HD1 ILE 27 8.777 15.246 4.841 218 H ALA 28 H ALA 28 6.905 11.921 1.228 219 HA ALA 28 HA ALA 28 7.135 10.689 -0.596 220 1HB ALA 28 1HB ALA 28 4.536 11.612 -0.756 221 2HB ALA 28 2HB ALA 28 5.211 12.112 -2.326 222 3HB ALA 28 3HB ALA 28 5.262 10.400 -1.839 223 H GLY 29 H GLY 29 8.952 12.731 -0.159 224 1HA GLY 29 1HA GLY 29 9.246 14.379 -2.495 225 2HA GLY 29 2HA GLY 29 10.360 14.208 -1.154 Start of MODEL 20 1 H ARG 1 H ARG 1 -8.137 -4.316 10.240 2 HA ARG 1 HA ARG 1 -8.294 -1.752 9.003 3 2HB ARG 1 2HB ARG 1 -5.939 -1.572 8.397 4 2HG ARG 1 2HG ARG 1 -6.637 -1.971 11.283 5 2HD ARG 1 2HD ARG 1 -4.530 -2.966 11.571 6 HE ARG 1 HE ARG 1 -3.821 -1.639 9.039 7 1HH1 ARG 1 1HH1 ARG 1 -0.820 -3.405 8.796 8 2HH1 ARG 1 2HH1 ARG 1 -1.941 -2.376 7.968 9 1HH2 ARG 1 1HH2 ARG 1 -1.226 -4.033 10.992 10 2HH2 ARG 1 2HH2 ARG 1 -2.651 -3.474 11.803 11 H GLY 2 H GLY 2 -6.386 -2.572 6.834 12 1HA GLY 2 1HA GLY 2 -6.431 -3.693 4.889 13 2HA GLY 2 2HA GLY 2 -6.870 -5.111 5.820 14 H LEU 3 H LEU 3 -8.372 -2.021 4.618 15 HA LEU 3 HA LEU 3 -10.800 -3.589 4.093 16 2HB LEU 3 2HB LEU 3 -11.394 -0.840 4.044 17 HG LEU 3 HG LEU 3 -12.066 -3.137 5.807 18 1HD1 LEU 3 1HD1 LEU 3 -11.511 -1.629 7.551 19 2HD1 LEU 3 2HD1 LEU 3 -12.294 -0.263 6.719 20 3HD1 LEU 3 3HD1 LEU 3 -13.282 -1.585 7.383 21 1HD2 LEU 3 1HD2 LEU 3 -13.893 -3.003 4.557 22 2HD2 LEU 3 2HD2 LEU 3 -14.272 -1.444 5.327 23 3HD2 LEU 3 3HD2 LEU 3 -13.329 -1.485 3.818 24 H ARG 4 H ARG 4 -8.065 -2.641 2.601 25 HA ARG 4 HA ARG 4 -7.641 -2.692 0.441 26 2HB ARG 4 2HB ARG 4 -10.322 -1.819 -0.561 27 2HG ARG 4 2HG ARG 4 -9.920 -3.532 -2.224 28 2HD ARG 4 2HD ARG 4 -7.464 -3.057 -2.877 29 HE ARG 4 HE ARG 4 -9.686 -1.318 -2.948 30 1HH1 ARG 4 1HH1 ARG 4 -8.172 1.419 -4.494 31 2HH1 ARG 4 2HH1 ARG 4 -9.674 0.644 -4.117 32 1HH2 ARG 4 1HH2 ARG 4 -6.170 0.462 -3.812 33 2HH2 ARG 4 2HH2 ARG 4 -6.179 -1.027 -2.926 34 H ARG 5 H ARG 5 -8.550 -0.273 2.431 35 HA ARG 5 HA ARG 5 -7.235 1.686 1.061 36 2HB ARG 5 2HB ARG 5 -10.274 1.856 0.796 37 2HG ARG 5 2HG ARG 5 -8.236 4.018 0.098 38 2HD ARG 5 2HD ARG 5 -11.272 4.199 0.345 39 HE ARG 5 HE ARG 5 -10.516 6.423 0.202 40 1HH1 ARG 5 1HH1 ARG 5 -8.564 7.954 -2.253 41 2HH1 ARG 5 2HH1 ARG 5 -9.582 8.209 -0.876 42 1HH2 ARG 5 1HH2 ARG 5 -8.149 5.797 -3.004 43 2HH2 ARG 5 2HH2 ARG 5 -8.858 4.445 -2.187 44 H LEU 6 H LEU 6 -9.939 0.870 3.290 45 HA LEU 6 HA LEU 6 -9.524 3.189 4.912 46 2HB LEU 6 2HB LEU 6 -11.139 2.011 6.420 47 HG LEU 6 HG LEU 6 -11.840 2.540 3.546 48 1HD1 LEU 6 1HD1 LEU 6 -14.248 2.226 5.018 49 2HD1 LEU 6 2HD1 LEU 6 -13.683 1.310 3.601 50 3HD1 LEU 6 3HD1 LEU 6 -13.285 0.747 5.241 51 1HD2 LEU 6 1HD2 LEU 6 -11.424 4.310 5.415 52 2HD2 LEU 6 2HD2 LEU 6 -12.814 4.488 4.316 53 3HD2 LEU 6 3HD2 LEU 6 -13.055 3.850 5.961 54 H GLY 7 H GLY 7 -7.735 0.394 4.379 55 1HA GLY 7 1HA GLY 7 -6.232 0.820 6.825 56 2HA GLY 7 2HA GLY 7 -7.013 -0.743 6.695 57 H ARG 8 H ARG 8 -6.843 -1.196 3.876 58 HA ARG 8 HA ARG 8 -4.082 -1.893 3.770 59 2HB ARG 8 2HB ARG 8 -5.993 -2.358 1.470 60 2HG ARG 8 2HG ARG 8 -4.210 -4.393 2.827 61 2HD ARG 8 2HD ARG 8 -3.977 -4.685 0.098 62 HE ARG 8 HE ARG 8 -5.324 -6.085 2.175 63 1HH1 ARG 8 1HH1 ARG 8 -6.606 -8.674 0.219 64 2HH1 ARG 8 2HH1 ARG 8 -6.226 -8.156 1.826 65 1HH2 ARG 8 1HH2 ARG 8 -6.202 -7.264 -1.582 66 2HH2 ARG 8 2HH2 ARG 8 -5.517 -5.696 -1.315 67 H LYS 9 H LYS 9 -4.341 0.907 3.721 68 HA LYS 9 HA LYS 9 -3.273 1.469 1.090 69 2HB LYS 9 2HB LYS 9 -5.849 2.614 2.121 70 2HG LYS 9 2HG LYS 9 -4.292 4.557 1.818 71 2HD LYS 9 2HD LYS 9 -4.131 3.645 -1.089 72 2HE LYS 9 2HE LYS 9 -2.362 5.658 0.339 73 1HZ LYS 9 1HZ LYS 9 -2.125 4.641 -2.023 74 2HZ LYS 9 2HZ LYS 9 -3.228 5.776 -2.425 75 3HZ LYS 9 3HZ LYS 9 -1.803 6.222 -1.763 76 H ILE 10 H ILE 10 -4.200 2.676 4.369 77 HA ILE 10 HA ILE 10 -2.535 4.858 4.460 78 HB ILE 10 HB ILE 10 -3.284 2.976 6.701 79 2HG1 ILE 10 2HG1 ILE 10 -5.166 3.916 5.250 80 1HG2 ILE 10 1HG2 ILE 10 -2.967 5.838 7.282 81 2HG2 ILE 10 2HG2 ILE 10 -2.402 4.408 8.178 82 3HG2 ILE 10 3HG2 ILE 10 -1.460 5.023 6.798 83 1HD1 ILE 10 1HD1 ILE 10 -5.564 5.079 7.958 84 2HD1 ILE 10 2HD1 ILE 10 -6.517 3.845 7.097 85 3HD1 ILE 10 3HD1 ILE 10 -5.020 3.384 7.946 86 H ALA 11 H ALA 11 -1.810 1.476 5.581 87 HA ALA 11 HA ALA 11 0.985 2.173 5.791 88 1HB ALA 11 1HB ALA 11 -0.441 -0.483 6.204 89 2HB ALA 11 2HB ALA 11 1.204 -0.061 6.735 90 3HB ALA 11 3HB ALA 11 -0.203 0.746 7.469 91 H HIS 12 H HIS 12 1.008 -1.003 4.912 92 HA HIS 12 HA HIS 12 1.904 -2.015 3.169 93 2HB HIS 12 2HB HIS 12 0.460 -1.091 0.969 94 HD1 HIS 12 1HD HIS 12 1.279 -3.633 3.365 95 HD2 HIS 12 2HD HIS 12 -1.853 -3.062 0.633 96 HE1 HIS 12 1HE HIS 12 0.218 -5.925 3.003 97 H GLY 13 H GLY 13 3.957 -1.601 2.533 98 1HA GLY 13 1HA GLY 13 5.430 -0.715 0.948 99 2HA GLY 13 2HA GLY 13 4.400 0.689 0.752 100 H VAL 14 H VAL 14 4.359 0.210 4.033 101 HA VAL 14 HA VAL 14 6.882 1.625 4.482 102 HB VAL 14 HB VAL 14 4.655 3.034 4.291 103 1HG1 VAL 14 1HG1 VAL 14 3.754 3.420 6.638 104 2HG1 VAL 14 2HG1 VAL 14 3.276 1.894 5.856 105 3HG1 VAL 14 3HG1 VAL 14 4.553 1.896 7.096 106 1HG2 VAL 14 1HG2 VAL 14 7.174 3.345 5.603 107 2HG2 VAL 14 2HG2 VAL 14 6.112 4.600 4.915 108 3HG2 VAL 14 3HG2 VAL 14 5.925 4.106 6.616 109 H LYS 15 H LYS 15 4.032 -0.123 5.862 110 HA LYS 15 HA LYS 15 5.338 -0.667 8.314 111 2HB LYS 15 2HB LYS 15 2.830 -1.639 6.959 112 2HG LYS 15 2HG LYS 15 4.003 -3.506 8.324 113 2HD LYS 15 2HD LYS 15 3.255 -1.553 10.548 114 2HE LYS 15 2HE LYS 15 4.530 -4.199 11.139 115 1HZ LYS 15 1HZ LYS 15 2.326 -3.516 12.675 116 2HZ LYS 15 2HZ LYS 15 3.898 -3.508 13.113 117 3HZ LYS 15 3HZ LYS 15 3.219 -2.164 12.480 118 H LYS 16 H LYS 16 5.231 -2.190 5.109 119 HA LYS 16 HA LYS 16 6.825 -4.399 6.202 120 2HB LYS 16 2HB LYS 16 5.401 -5.720 5.121 121 2HG LYS 16 2HG LYS 16 3.626 -4.756 3.571 122 2HD LYS 16 2HD LYS 16 2.961 -2.980 5.614 123 2HE LYS 16 2HE LYS 16 2.417 -5.789 4.898 124 1HZ LYS 16 1HZ LYS 16 2.388 -6.630 6.914 125 2HZ LYS 16 2HZ LYS 16 2.968 -5.248 7.565 126 3HZ LYS 16 3HZ LYS 16 1.355 -5.474 7.430 127 H TYR 17 H TYR 17 6.594 -1.781 3.783 128 HA TYR 17 HA TYR 17 9.154 -2.514 2.646 129 2HB TYR 17 2HB TYR 17 8.445 -0.084 1.587 130 HD1 TYR 17 1HD TYR 17 8.451 -0.383 -0.710 131 HD2 TYR 17 2HD TYR 17 6.545 -3.324 1.745 132 HE1 TYR 17 1HE TYR 17 7.955 -1.792 -2.768 133 HE2 TYR 17 2HE TYR 17 6.055 -4.722 -0.321 134 HH TYR 17 HH TYR 17 7.460 -4.718 -2.871 135 H GLY 18 H GLY 18 7.860 0.672 3.808 136 1HA GLY 18 1HA GLY 18 8.996 1.571 5.833 137 2HA GLY 18 2HA GLY 18 10.504 1.138 5.055 138 HA PRO 19 HA PRO 19 10.223 4.630 2.410 139 2HB PRO 19 2HB PRO 19 11.445 3.797 0.644 140 2HG PRO 19 2HG PRO 19 11.281 1.515 0.351 141 2HD PRO 19 2HD PRO 19 10.704 0.870 2.481 142 H THR 20 H THR 20 7.963 3.039 0.250 143 HA THR 20 HA THR 20 6.298 4.921 -0.370 144 HB THR 20 HB THR 20 6.002 2.062 0.334 145 HG1 THR 20 1HG THR 20 6.223 2.937 -1.830 146 1HG2 THR 20 1HG2 THR 20 4.008 2.528 1.537 147 2HG2 THR 20 2HG2 THR 20 3.672 3.995 0.589 148 3HG2 THR 20 3HG2 THR 20 3.412 2.389 -0.134 149 H VAL 21 H VAL 21 6.600 6.689 1.145 150 HA VAL 21 HA VAL 21 5.391 6.414 3.735 151 HB VAL 21 HB VAL 21 5.942 8.828 3.897 152 1HG1 VAL 21 1HG1 VAL 21 8.174 8.444 4.332 153 2HG1 VAL 21 2HG1 VAL 21 7.560 6.777 4.264 154 3HG1 VAL 21 3HG1 VAL 21 8.409 7.469 2.862 155 1HG2 VAL 21 1HG2 VAL 21 7.432 8.634 1.294 156 2HG2 VAL 21 2HG2 VAL 21 5.706 9.070 1.290 157 3HG2 VAL 21 3HG2 VAL 21 6.874 10.071 2.184 158 H LEU 22 H LEU 22 4.537 9.467 2.853 159 HA LEU 22 HA LEU 22 2.594 10.458 2.502 160 2HB LEU 22 2HB LEU 22 1.856 8.294 0.558 161 HG LEU 22 HG LEU 22 0.300 10.148 0.627 162 1HD1 LEU 22 1HD1 LEU 22 1.652 12.387 -0.306 163 2HD1 LEU 22 2HD1 LEU 22 1.032 12.124 1.342 164 3HD1 LEU 22 3HD1 LEU 22 2.723 11.728 0.954 165 1HD2 LEU 22 1HD2 LEU 22 1.997 10.603 -1.824 166 2HD2 LEU 22 2HD2 LEU 22 1.079 9.098 -1.572 167 3HD2 LEU 22 3HD2 LEU 22 0.226 10.658 -1.661 168 H ARG 23 H ARG 23 0.425 10.521 3.244 169 HA ARG 23 HA ARG 23 -1.171 9.976 4.600 170 2HB ARG 23 2HB ARG 23 -1.993 7.433 4.294 171 2HG ARG 23 2HG ARG 23 -2.703 8.257 1.814 172 2HD ARG 23 2HD ARG 23 -3.709 9.749 4.276 173 HE ARG 23 HE ARG 23 -4.646 9.682 1.633 174 1HH1 ARG 23 1HH1 ARG 23 -8.079 9.895 2.220 175 2HH1 ARG 23 2HH1 ARG 23 -6.813 10.116 1.057 176 1HH2 ARG 23 1HH2 ARG 23 -7.571 9.160 4.362 177 2HH2 ARG 23 2HH2 ARG 23 -5.928 8.833 4.799 178 H ILE 24 H ILE 24 1.836 9.138 5.218 179 HA ILE 24 HA ILE 24 1.187 8.007 7.788 180 HB ILE 24 HB ILE 24 3.197 6.330 7.248 181 2HG1 ILE 24 2HG1 ILE 24 3.112 7.228 4.813 182 1HG2 ILE 24 1HG2 ILE 24 1.667 4.757 7.697 183 2HG2 ILE 24 2HG2 ILE 24 0.545 6.128 7.881 184 3HG2 ILE 24 3HG2 ILE 24 0.621 5.239 6.339 185 1HD1 ILE 24 1HD1 ILE 24 3.929 5.145 4.013 186 2HD1 ILE 24 2HD1 ILE 24 4.260 5.089 5.760 187 3HD1 ILE 24 3HD1 ILE 24 2.864 4.214 5.090 188 H ILE 25 H ILE 25 3.969 8.635 5.528 189 HA ILE 25 HA ILE 25 5.181 10.154 7.730 190 HB ILE 25 HB ILE 25 6.947 9.381 5.545 191 2HG1 ILE 25 2HG1 ILE 25 5.821 7.383 5.234 192 1HG2 ILE 25 1HG2 ILE 25 7.497 8.360 8.231 193 2HG2 ILE 25 2HG2 ILE 25 8.456 9.437 7.188 194 3HG2 ILE 25 3HG2 ILE 25 7.154 10.106 8.200 195 1HD1 ILE 25 1HD1 ILE 25 8.258 7.232 6.416 196 2HD1 ILE 25 2HD1 ILE 25 7.293 6.365 7.636 197 3HD1 ILE 25 3HD1 ILE 25 7.325 5.788 5.952 198 H ARG 26 H ARG 26 4.024 10.144 4.387 199 HA ARG 26 HA ARG 26 4.062 11.656 2.811 200 2HB ARG 26 2HB ARG 26 2.671 13.442 3.352 201 2HG ARG 26 2HG ARG 26 2.250 12.768 6.139 202 2HD ARG 26 2HD ARG 26 0.214 11.543 4.904 203 HE ARG 26 HE ARG 26 0.620 14.206 5.758 204 1HH1 ARG 26 1HH1 ARG 26 -2.499 15.509 4.894 205 2HH1 ARG 26 2HH1 ARG 26 -1.079 15.730 5.858 206 1HH2 ARG 26 1HH2 ARG 26 -2.677 13.665 3.497 207 2HH2 ARG 26 2HH2 ARG 26 -1.389 12.509 3.420 208 H ILE 27 H ILE 27 6.703 11.253 4.294 209 HA ILE 27 HA ILE 27 7.895 13.853 3.611 210 HB ILE 27 HB ILE 27 8.684 11.892 5.769 211 2HG1 ILE 27 2HG1 ILE 27 6.800 13.963 5.797 212 1HG2 ILE 27 1HG2 ILE 27 10.190 14.044 4.418 213 2HG2 ILE 27 2HG2 ILE 27 10.235 14.075 6.198 214 3HG2 ILE 27 3HG2 ILE 27 10.764 12.620 5.319 215 1HD1 ILE 27 1HD1 ILE 27 7.473 11.869 7.381 216 2HD1 ILE 27 2HD1 ILE 27 8.173 13.190 8.346 217 3HD1 ILE 27 3HD1 ILE 27 6.439 13.200 7.947 218 H ALA 28 H ALA 28 8.574 10.295 3.927 219 HA ALA 28 HA ALA 28 9.711 8.910 2.630 220 1HB ALA 28 1HB ALA 28 8.308 10.513 0.870 221 2HB ALA 28 2HB ALA 28 9.978 10.667 0.273 222 3HB ALA 28 3HB ALA 28 9.231 9.059 0.420 223 H GLY 29 H GLY 29 11.110 10.577 4.451 224 1HA GLY 29 1HA GLY 29 13.307 11.919 3.325 225 2HA GLY 29 2HA GLY 29 13.182 11.291 4.955 Start of MODEL 21 1 H ARG 1 H ARG 1 -11.974 -10.303 -2.461 2 HA ARG 1 HA ARG 1 -9.559 -11.361 -1.244 3 2HB ARG 1 2HB ARG 1 -8.867 -9.203 -3.041 4 2HG ARG 1 2HG ARG 1 -7.361 -11.058 -2.310 5 2HD ARG 1 2HD ARG 1 -7.798 -13.172 -3.977 6 HE ARG 1 HE ARG 1 -9.318 -13.445 -1.515 7 1HH1 ARG 1 1HH1 ARG 1 -6.572 -14.496 0.366 8 2HH1 ARG 1 2HH1 ARG 1 -8.300 -14.375 0.306 9 1HH2 ARG 1 1HH2 ARG 1 -5.293 -13.712 -1.405 10 2HH2 ARG 1 2HH2 ARG 1 -6.066 -13.006 -2.786 11 H GLY 2 H GLY 2 -11.306 -8.354 -2.320 12 1HA GLY 2 1HA GLY 2 -10.386 -7.047 0.169 13 2HA GLY 2 2HA GLY 2 -10.630 -6.219 -1.357 14 H LEU 3 H LEU 3 -12.973 -6.642 -2.359 15 HA LEU 3 HA LEU 3 -15.068 -5.898 -2.106 16 2HB LEU 3 2HB LEU 3 -15.009 -8.427 -1.776 17 HG LEU 3 HG LEU 3 -14.805 -7.740 0.971 18 1HD1 LEU 3 1HD1 LEU 3 -17.454 -7.610 0.426 19 2HD1 LEU 3 2HD1 LEU 3 -17.283 -9.342 0.799 20 3HD1 LEU 3 3HD1 LEU 3 -16.775 -8.121 1.990 21 1HD2 LEU 3 1HD2 LEU 3 -13.815 -9.695 -0.142 22 2HD2 LEU 3 2HD2 LEU 3 -14.762 -10.150 1.295 23 3HD2 LEU 3 3HD2 LEU 3 -15.438 -10.402 -0.332 24 H ARG 4 H ARG 4 -13.441 -4.168 -0.736 25 HA ARG 4 HA ARG 4 -15.254 -3.287 1.250 26 2HB ARG 4 2HB ARG 4 -12.462 -3.406 2.336 27 2HG ARG 4 2HG ARG 4 -14.675 -2.540 3.466 28 2HD ARG 4 2HD ARG 4 -14.902 -5.561 3.893 29 HE ARG 4 HE ARG 4 -15.603 -3.655 5.733 30 1HH1 ARG 4 1HH1 ARG 4 -18.812 -4.618 6.704 31 2HH1 ARG 4 2HH1 ARG 4 -17.396 -3.724 7.146 32 1HH2 ARG 4 1HH2 ARG 4 -18.887 -5.744 4.675 33 2HH2 ARG 4 2HH2 ARG 4 -17.529 -5.691 3.604 34 H ARG 5 H ARG 5 -13.158 -1.531 2.527 35 HA ARG 5 HA ARG 5 -11.663 -0.220 0.650 36 2HB ARG 5 2HB ARG 5 -13.370 0.772 -0.566 37 2HG ARG 5 2HG ARG 5 -14.989 0.189 1.899 38 2HD ARG 5 2HD ARG 5 -15.227 2.697 0.498 39 HE ARG 5 HE ARG 5 -17.847 1.495 0.164 40 1HH1 ARG 5 1HH1 ARG 5 -17.650 1.373 -3.318 41 2HH1 ARG 5 2HH1 ARG 5 -18.700 1.268 -1.944 42 1HH2 ARG 5 1HH2 ARG 5 -15.378 1.741 -3.017 43 2HH2 ARG 5 2HH2 ARG 5 -14.733 1.915 -1.419 44 H LEU 6 H LEU 6 -13.721 -0.108 3.568 45 HA LEU 6 HA LEU 6 -12.317 2.095 4.728 46 2HB LEU 6 2HB LEU 6 -13.643 1.454 6.749 47 HG LEU 6 HG LEU 6 -15.016 1.977 4.129 48 1HD1 LEU 6 1HD1 LEU 6 -16.430 1.519 6.770 49 2HD1 LEU 6 2HD1 LEU 6 -17.171 2.197 5.300 50 3HD1 LEU 6 3HD1 LEU 6 -16.567 0.523 5.300 51 1HD2 LEU 6 1HD2 LEU 6 -15.200 4.139 4.845 52 2HD2 LEU 6 2HD2 LEU 6 -15.256 3.687 6.567 53 3HD2 LEU 6 3HD2 LEU 6 -13.707 3.662 5.690 54 H GLY 7 H GLY 7 -12.478 -1.479 5.363 55 1HA GLY 7 1HA GLY 7 -10.777 -1.827 7.384 56 2HA GLY 7 2HA GLY 7 -10.789 -2.872 5.976 57 H ARG 8 H ARG 8 -9.160 -2.686 4.360 58 HA ARG 8 HA ARG 8 -7.150 -0.669 4.910 59 2HB ARG 8 2HB ARG 8 -5.344 -2.335 4.605 60 2HG ARG 8 2HG ARG 8 -6.262 -4.030 6.526 61 2HD ARG 8 2HD ARG 8 -4.491 -2.087 6.600 62 HE ARG 8 HE ARG 8 -5.708 -0.058 6.681 63 1HH1 ARG 8 1HH1 ARG 8 -7.814 1.111 9.207 64 2HH1 ARG 8 2HH1 ARG 8 -6.929 1.532 7.778 65 1HH2 ARG 8 1HH2 ARG 8 -7.757 -1.068 10.005 66 2HH2 ARG 8 2HH2 ARG 8 -6.832 -2.273 9.174 67 H LYS 9 H LYS 9 -8.160 0.409 3.023 68 HA LYS 9 HA LYS 9 -7.287 -0.839 0.516 69 2HB LYS 9 2HB LYS 9 -9.908 0.622 0.950 70 2HG LYS 9 2HG LYS 9 -8.350 0.232 -1.402 71 2HD LYS 9 2HD LYS 9 -10.891 -1.437 -1.528 72 2HE LYS 9 2HE LYS 9 -8.573 -0.800 -3.365 73 1HZ LYS 9 1HZ LYS 9 -9.794 -3.345 -3.006 74 2HZ LYS 9 2HZ LYS 9 -9.904 -2.801 -4.541 75 3HZ LYS 9 3HZ LYS 9 -8.442 -2.948 -3.829 76 H ILE 10 H ILE 10 -8.210 2.163 2.302 77 HA ILE 10 HA ILE 10 -7.324 3.985 0.432 78 HB ILE 10 HB ILE 10 -7.255 4.193 3.445 79 2HG1 ILE 10 2HG1 ILE 10 -9.453 3.477 2.350 80 1HG2 ILE 10 1HG2 ILE 10 -6.624 6.313 3.237 81 2HG2 ILE 10 2HG2 ILE 10 -6.266 5.969 1.528 82 3HG2 ILE 10 3HG2 ILE 10 -7.854 6.628 1.989 83 1HD1 ILE 10 1HD1 ILE 10 -9.253 6.094 3.909 84 2HD1 ILE 10 2HD1 ILE 10 -10.763 5.185 3.665 85 3HD1 ILE 10 3HD1 ILE 10 -9.427 4.459 4.591 86 H ALA 11 H ALA 11 -5.494 2.636 3.271 87 HA ALA 11 HA ALA 11 -3.046 3.677 2.138 88 1HB ALA 11 1HB ALA 11 -3.528 2.014 4.641 89 2HB ALA 11 2HB ALA 11 -2.063 2.943 4.240 90 3HB ALA 11 3HB ALA 11 -3.589 3.792 4.584 91 H HIS 12 H HIS 12 -2.110 0.940 3.718 92 HA HIS 12 HA HIS 12 -1.084 -0.868 2.973 93 2HB HIS 12 2HB HIS 12 -2.949 -2.129 1.331 94 HD1 HIS 12 1HD HIS 12 -1.118 -1.868 4.403 95 HD2 HIS 12 2HD HIS 12 -4.517 -4.000 3.176 96 HE1 HIS 12 1HE HIS 12 -1.400 -3.783 6.066 97 H GLY 13 H GLY 13 0.654 -0.696 1.651 98 1HA GLY 13 1HA GLY 13 1.601 -1.084 -0.459 99 2HA GLY 13 2HA GLY 13 0.147 -0.489 -1.235 100 H VAL 14 H VAL 14 0.569 1.633 1.283 101 HA VAL 14 HA VAL 14 2.516 3.285 -0.141 102 HB VAL 14 HB VAL 14 -0.058 3.691 -0.618 103 1HG1 VAL 14 1HG1 VAL 14 -1.049 5.355 0.846 104 2HG1 VAL 14 2HG1 VAL 14 -0.638 3.903 1.789 105 3HG1 VAL 14 3HG1 VAL 14 0.397 5.349 1.885 106 1HG2 VAL 14 1HG2 VAL 14 1.806 4.981 -1.561 107 2HG2 VAL 14 2HG2 VAL 14 0.463 6.046 -1.080 108 3HG2 VAL 14 3HG2 VAL 14 1.916 5.932 -0.060 109 H LYS 15 H LYS 15 0.520 2.648 2.792 110 HA LYS 15 HA LYS 15 2.055 4.393 4.423 111 2HB LYS 15 2HB LYS 15 -0.050 2.294 4.920 112 2HG LYS 15 2HG LYS 15 1.755 2.372 6.786 113 2HD LYS 15 2HD LYS 15 0.980 5.209 6.594 114 2HE LYS 15 2HE LYS 15 1.104 5.463 9.160 115 1HZ LYS 15 1HZ LYS 15 -1.014 5.852 8.774 116 2HZ LYS 15 2HZ LYS 15 -1.072 4.814 7.513 117 3HZ LYS 15 3HZ LYS 15 -1.352 4.274 9.029 118 H LYS 16 H LYS 16 2.239 0.977 3.435 119 HA LYS 16 HA LYS 16 4.559 0.685 5.208 120 2HB LYS 16 2HB LYS 16 3.595 -1.216 5.839 121 2HG LYS 16 2HG LYS 16 1.503 -2.083 4.656 122 2HD LYS 16 2HD LYS 16 0.376 0.421 5.010 123 2HE LYS 16 2HE LYS 16 0.125 -1.891 6.282 124 1HZ LYS 16 1HZ LYS 16 1.827 -0.349 8.115 125 2HZ LYS 16 2HZ LYS 16 1.081 -1.760 8.458 126 3HZ LYS 16 3HZ LYS 16 2.280 -1.719 7.350 127 H TYR 17 H TYR 17 3.314 0.525 1.869 128 HA TYR 17 HA TYR 17 5.848 -0.421 0.859 129 2HB TYR 17 2HB TYR 17 4.335 0.380 -1.294 130 HD1 TYR 17 1HD TYR 17 3.875 -2.022 1.540 131 HD2 TYR 17 2HD TYR 17 3.871 -1.439 -2.697 132 HE1 TYR 17 1HE TYR 17 3.629 -4.527 1.189 133 HE2 TYR 17 2HE TYR 17 3.625 -3.947 -3.035 134 HH TYR 17 HH TYR 17 2.622 -5.985 -0.731 135 H GLY 18 H GLY 18 3.878 2.617 0.831 136 1HA GLY 18 1HA GLY 18 5.339 4.190 -0.843 137 2HA GLY 18 2HA GLY 18 4.528 4.763 0.601 138 HA PRO 19 HA PRO 19 8.345 5.044 2.729 139 2HB PRO 19 2HB PRO 19 7.492 4.931 4.867 140 2HG PRO 19 2HG PRO 19 5.570 3.675 5.071 141 2HD PRO 19 2HD PRO 19 4.768 3.799 2.920 142 H THR 20 H THR 20 7.648 1.689 2.110 143 HA THR 20 HA THR 20 10.474 1.042 2.178 144 HB THR 20 HB THR 20 8.305 -0.367 2.904 145 HG1 THR 20 1HG THR 20 9.762 -2.174 2.535 146 1HG2 THR 20 1HG2 THR 20 7.697 -0.243 0.239 147 2HG2 THR 20 2HG2 THR 20 8.781 -1.655 0.232 148 3HG2 THR 20 3HG2 THR 20 7.317 -1.662 1.243 149 H VAL 21 H VAL 21 10.408 3.035 0.438 150 HA VAL 21 HA VAL 21 9.655 2.570 -2.148 151 HB VAL 21 HB VAL 21 10.962 4.368 -2.679 152 1HG1 VAL 21 1HG1 VAL 21 11.188 4.860 0.268 153 2HG1 VAL 21 2HG1 VAL 21 10.616 5.936 -1.029 154 3HG1 VAL 21 3HG1 VAL 21 9.573 4.619 -0.439 155 1HG2 VAL 21 1HG2 VAL 21 13.172 3.928 -2.563 156 2HG2 VAL 21 2HG2 VAL 21 13.077 4.774 -1.001 157 3HG2 VAL 21 3HG2 VAL 21 13.014 2.997 -1.055 158 H LEU 22 H LEU 22 11.771 2.523 -3.891 159 HA LEU 22 HA LEU 22 13.578 1.316 -4.591 160 2HB LEU 22 2HB LEU 22 13.019 -0.873 -2.619 161 HG LEU 22 HG LEU 22 14.948 -0.730 -4.516 162 1HD1 LEU 22 1HD1 LEU 22 16.978 -0.234 -2.720 163 2HD1 LEU 22 2HD1 LEU 22 16.434 0.861 -4.014 164 3HD1 LEU 22 3HD1 LEU 22 15.804 1.054 -2.360 165 1HD2 LEU 22 1HD2 LEU 22 14.638 -2.750 -3.412 166 2HD2 LEU 22 2HD2 LEU 22 16.275 -2.266 -2.912 167 3HD2 LEU 22 3HD2 LEU 22 14.902 -2.032 -1.805 168 H ARG 23 H ARG 23 11.240 -1.178 -3.379 169 HA ARG 23 HA ARG 23 11.069 -2.215 -6.010 170 2HB ARG 23 2HB ARG 23 10.995 -3.662 -3.964 171 2HG ARG 23 2HG ARG 23 8.172 -2.586 -3.569 172 2HD ARG 23 2HD ARG 23 8.936 -3.637 -1.188 173 HE ARG 23 HE ARG 23 7.008 -4.672 -2.086 174 1HH1 ARG 23 1HH1 ARG 23 6.811 -7.280 -4.397 175 2HH1 ARG 23 2HH1 ARG 23 5.943 -6.339 -3.230 176 1HH2 ARG 23 1HH2 ARG 23 9.057 -6.846 -4.797 177 2HH2 ARG 23 2HH2 ARG 23 9.863 -5.584 -3.930 178 H ILE 24 H ILE 24 9.834 0.547 -4.804 179 HA ILE 24 HA ILE 24 7.359 0.270 -6.349 180 HB ILE 24 HB ILE 24 6.384 1.912 -4.646 181 2HG1 ILE 24 2HG1 ILE 24 8.864 1.963 -3.574 182 1HG2 ILE 24 1HG2 ILE 24 5.380 -0.182 -4.766 183 2HG2 ILE 24 2HG2 ILE 24 6.838 -1.028 -4.193 184 3HG2 ILE 24 3HG2 ILE 24 5.868 -0.059 -3.057 185 1HD1 ILE 24 1HD1 ILE 24 6.236 2.194 -2.035 186 2HD1 ILE 24 2HD1 ILE 24 7.794 2.902 -1.544 187 3HD1 ILE 24 3HD1 ILE 24 6.977 3.481 -3.016 188 H ILE 25 H ILE 25 9.920 2.392 -4.956 189 HA ILE 25 HA ILE 25 9.318 4.301 -7.102 190 HB ILE 25 HB ILE 25 11.083 5.103 -4.880 191 2HG1 ILE 25 2HG1 ILE 25 9.516 3.790 -3.592 192 1HG2 ILE 25 1HG2 ILE 25 8.860 6.835 -5.336 193 2HG2 ILE 25 2HG2 ILE 25 10.579 7.087 -5.727 194 3HG2 ILE 25 3HG2 ILE 25 9.500 6.309 -6.911 195 1HD1 ILE 25 1HD1 ILE 25 8.456 6.624 -3.399 196 2HD1 ILE 25 2HD1 ILE 25 8.783 5.464 -2.090 197 3HD1 ILE 25 3HD1 ILE 25 10.134 6.252 -2.937 198 H ARG 26 H ARG 26 11.618 2.007 -5.776 199 HA ARG 26 HA ARG 26 13.667 1.486 -6.290 200 2HB ARG 26 2HB ARG 26 13.839 0.678 -8.459 201 2HG ARG 26 2HG ARG 26 11.251 1.492 -9.444 202 2HD ARG 26 2HD ARG 26 11.353 -1.041 -7.932 203 HE ARG 26 HE ARG 26 10.364 -0.105 -10.441 204 1HH1 ARG 26 1HH1 ARG 26 9.655 -3.239 -11.808 205 2HH1 ARG 26 2HH1 ARG 26 9.362 -1.534 -11.917 206 1HH2 ARG 26 1HH2 ARG 26 11.067 -4.069 -10.165 207 2HH2 ARG 26 2HH2 ARG 26 11.828 -2.986 -9.047 208 H ILE 27 H ILE 27 12.997 4.510 -5.908 209 HA ILE 27 HA ILE 27 15.466 5.515 -7.145 210 HB ILE 27 HB ILE 27 12.910 7.023 -6.581 211 2HG1 ILE 27 2HG1 ILE 27 13.518 5.330 -8.730 212 1HG2 ILE 27 1HG2 ILE 27 15.545 7.978 -6.728 213 2HG2 ILE 27 2HG2 ILE 27 14.808 8.362 -8.301 214 3HG2 ILE 27 3HG2 ILE 27 14.039 8.923 -6.797 215 1HD1 ILE 27 1HD1 ILE 27 11.311 6.505 -7.730 216 2HD1 ILE 27 2HD1 ILE 27 11.600 7.617 -9.090 217 3HD1 ILE 27 3HD1 ILE 27 11.365 5.878 -9.396 218 H ALA 28 H ALA 28 13.150 5.872 -4.375 219 HA ALA 28 HA ALA 28 13.495 6.292 -2.231 220 1HB ALA 28 1HB ALA 28 15.149 5.079 -1.247 221 2HB ALA 28 2HB ALA 28 15.433 4.479 -2.898 222 3HB ALA 28 3HB ALA 28 16.424 5.811 -2.251 223 H GLY 29 H GLY 29 13.652 8.416 -4.207 224 1HA GLY 29 1HA GLY 29 15.732 10.170 -4.042 225 2HA GLY 29 2HA GLY 29 14.047 10.635 -4.183 Start of MODEL 22 1 H ARG 1 H ARG 1 -9.236 -11.063 -4.364 2 HA ARG 1 HA ARG 1 -8.436 -10.173 -2.553 3 2HB ARG 1 2HB ARG 1 -5.770 -9.281 -3.133 4 2HG ARG 1 2HG ARG 1 -6.731 -10.457 -1.051 5 2HD ARG 1 2HD ARG 1 -6.191 -12.887 -2.826 6 HE ARG 1 HE ARG 1 -5.968 -12.660 0.024 7 1HH1 ARG 1 1HH1 ARG 1 -6.564 -16.026 0.725 8 2HH1 ARG 1 2HH1 ARG 1 -5.941 -14.530 1.336 9 1HH2 ARG 1 1HH2 ARG 1 -7.425 -16.131 -1.427 10 2HH2 ARG 1 2HH2 ARG 1 -7.445 -14.713 -2.422 11 H GLY 2 H GLY 2 -9.899 -8.370 -2.952 12 1HA GLY 2 1HA GLY 2 -8.802 -5.840 -2.831 13 2HA GLY 2 2HA GLY 2 -9.133 -6.127 -4.528 14 H LEU 3 H LEU 3 -10.671 -6.384 -1.253 15 HA LEU 3 HA LEU 3 -13.164 -5.498 -2.525 16 2HB LEU 3 2HB LEU 3 -14.362 -6.930 -0.870 17 HG LEU 3 HG LEU 3 -12.598 -8.297 -2.908 18 1HD1 LEU 3 1HD1 LEU 3 -14.627 -9.522 -1.033 19 2HD1 LEU 3 2HD1 LEU 3 -14.172 -10.270 -2.584 20 3HD1 LEU 3 3HD1 LEU 3 -12.939 -10.010 -1.325 21 1HD2 LEU 3 1HD2 LEU 3 -14.526 -8.382 -4.275 22 2HD2 LEU 3 2HD2 LEU 3 -15.595 -7.910 -2.935 23 3HD2 LEU 3 3HD2 LEU 3 -14.455 -6.729 -3.620 24 H ARG 4 H ARG 4 -14.742 -4.848 -0.511 25 HA ARG 4 HA ARG 4 -15.149 -3.382 1.021 26 2HB ARG 4 2HB ARG 4 -12.458 -3.342 2.313 27 2HG ARG 4 2HG ARG 4 -15.011 -2.813 3.145 28 2HD ARG 4 2HD ARG 4 -14.526 -5.410 4.565 29 HE ARG 4 HE ARG 4 -16.680 -3.539 4.278 30 1HH1 ARG 4 1HH1 ARG 4 -19.167 -5.621 5.566 31 2HH1 ARG 4 2HH1 ARG 4 -18.733 -3.990 5.177 32 1HH2 ARG 4 1HH2 ARG 4 -17.665 -7.347 5.175 33 2HH2 ARG 4 2HH2 ARG 4 -16.111 -7.003 4.494 34 H ARG 5 H ARG 5 -13.183 -1.532 2.380 35 HA ARG 5 HA ARG 5 -11.639 -0.221 0.524 36 2HB ARG 5 2HB ARG 5 -14.009 1.554 1.008 37 2HG ARG 5 2HG ARG 5 -11.942 1.065 -1.145 38 2HD ARG 5 2HD ARG 5 -14.239 2.949 -1.675 39 HE ARG 5 HE ARG 5 -12.744 3.073 -3.484 40 1HH1 ARG 5 1HH1 ARG 5 -11.575 0.557 -5.601 41 2HH1 ARG 5 2HH1 ARG 5 -11.673 2.265 -5.334 42 1HH2 ARG 5 1HH2 ARG 5 -12.533 -0.913 -4.082 43 2HH2 ARG 5 2HH2 ARG 5 -13.345 -0.300 -2.680 44 H LEU 6 H LEU 6 -13.787 -0.096 3.384 45 HA LEU 6 HA LEU 6 -12.426 2.126 4.558 46 2HB LEU 6 2HB LEU 6 -13.814 1.509 6.544 47 HG LEU 6 HG LEU 6 -15.106 1.993 3.873 48 1HD1 LEU 6 1HD1 LEU 6 -16.509 1.298 6.447 49 2HD1 LEU 6 2HD1 LEU 6 -17.260 2.367 5.238 50 3HD1 LEU 6 3HD1 LEU 6 -16.814 0.704 4.795 51 1HD2 LEU 6 1HD2 LEU 6 -14.011 3.884 4.840 52 2HD2 LEU 6 2HD2 LEU 6 -15.767 4.121 5.015 53 3HD2 LEU 6 3HD2 LEU 6 -14.792 3.607 6.415 54 H GLY 7 H GLY 7 -12.607 -1.438 5.245 55 1HA GLY 7 1HA GLY 7 -10.968 -1.754 7.320 56 2HA GLY 7 2HA GLY 7 -10.937 -2.821 5.929 57 H ARG 8 H ARG 8 -9.266 -2.649 4.349 58 HA ARG 8 HA ARG 8 -7.272 -0.629 4.935 59 2HB ARG 8 2HB ARG 8 -5.732 -2.811 4.140 60 2HG ARG 8 2HG ARG 8 -5.436 -1.156 6.103 61 2HD ARG 8 2HD ARG 8 -7.574 -2.896 7.147 62 HE ARG 8 HE ARG 8 -4.980 -3.068 8.467 63 1HH1 ARG 8 1HH1 ARG 8 -6.299 -4.449 11.387 64 2HH1 ARG 8 2HH1 ARG 8 -4.856 -4.140 10.482 65 1HH2 ARG 8 1HH2 ARG 8 -8.358 -3.777 10.553 66 2HH2 ARG 8 2HH2 ARG 8 -8.451 -2.966 9.026 67 H LYS 9 H LYS 9 -8.190 0.437 3.006 68 HA LYS 9 HA LYS 9 -7.253 -0.851 0.545 69 2HB LYS 9 2HB LYS 9 -9.892 0.604 0.888 70 2HG LYS 9 2HG LYS 9 -8.260 0.229 -1.416 71 2HD LYS 9 2HD LYS 9 -10.742 -1.232 -2.087 72 2HE LYS 9 2HE LYS 9 -8.309 -0.785 -3.289 73 1HZ LYS 9 1HZ LYS 9 -7.385 -2.420 -1.652 74 2HZ LYS 9 2HZ LYS 9 -8.236 -3.582 -2.423 75 3HZ LYS 9 3HZ LYS 9 -7.085 -2.744 -3.225 76 H ILE 10 H ILE 10 -8.211 2.168 2.274 77 HA ILE 10 HA ILE 10 -7.297 3.978 0.415 78 HB ILE 10 HB ILE 10 -7.250 4.193 3.428 79 2HG1 ILE 10 2HG1 ILE 10 -9.443 3.488 2.313 80 1HG2 ILE 10 1HG2 ILE 10 -6.110 6.073 2.868 81 2HG2 ILE 10 2HG2 ILE 10 -6.790 6.139 1.224 82 3HG2 ILE 10 3HG2 ILE 10 -7.762 6.682 2.612 83 1HD1 ILE 10 1HD1 ILE 10 -9.061 4.816 4.558 84 2HD1 ILE 10 2HD1 ILE 10 -9.676 6.204 3.630 85 3HD1 ILE 10 3HD1 ILE 10 -10.694 4.760 3.852 86 H ALA 11 H ALA 11 -5.493 2.618 3.266 87 HA ALA 11 HA ALA 11 -3.033 3.656 2.157 88 1HB ALA 11 1HB ALA 11 -2.070 2.931 4.261 89 2HB ALA 11 2HB ALA 11 -3.615 3.745 4.603 90 3HB ALA 11 3HB ALA 11 -3.517 1.967 4.641 91 H HIS 12 H HIS 12 -2.099 0.918 3.720 92 HA HIS 12 HA HIS 12 -1.070 -0.887 2.969 93 2HB HIS 12 2HB HIS 12 -2.937 -2.144 1.324 94 HD1 HIS 12 1HD HIS 12 -1.105 -1.890 4.397 95 HD2 HIS 12 2HD HIS 12 -4.493 -4.032 3.158 96 HE1 HIS 12 1HE HIS 12 -1.379 -3.814 6.051 97 H GLY 13 H GLY 13 0.666 -0.704 1.646 98 1HA GLY 13 1HA GLY 13 1.611 -1.086 -0.467 99 2HA GLY 13 2HA GLY 13 0.155 -0.491 -1.240 100 H VAL 14 H VAL 14 0.576 1.623 1.286 101 HA VAL 14 HA VAL 14 2.520 3.284 -0.135 102 HB VAL 14 HB VAL 14 -0.056 3.685 -0.608 103 1HG1 VAL 14 1HG1 VAL 14 0.391 5.366 1.879 104 2HG1 VAL 14 2HG1 VAL 14 -1.065 5.323 0.856 105 3HG1 VAL 14 3HG1 VAL 14 -0.608 3.895 1.817 106 1HG2 VAL 14 1HG2 VAL 14 0.791 6.316 -0.391 107 2HG2 VAL 14 2HG2 VAL 14 2.315 5.403 -0.505 108 3HG2 VAL 14 3HG2 VAL 14 1.077 5.231 -1.773 109 H LYS 15 H LYS 15 0.525 2.631 2.796 110 HA LYS 15 HA LYS 15 2.053 4.376 4.434 111 2HB LYS 15 2HB LYS 15 -0.088 2.318 4.871 112 2HG LYS 15 2HG LYS 15 1.987 3.103 6.802 113 2HD LYS 15 2HD LYS 15 -0.243 3.201 8.476 114 2HE LYS 15 2HE LYS 15 1.683 4.571 8.919 115 1HZ LYS 15 1HZ LYS 15 2.706 5.333 7.130 116 2HZ LYS 15 2HZ LYS 15 1.374 5.261 6.187 117 3HZ LYS 15 3HZ LYS 15 1.642 6.573 7.121 118 H LYS 16 H LYS 16 2.251 0.965 3.432 119 HA LYS 16 HA LYS 16 4.576 0.678 5.201 120 2HB LYS 16 2HB LYS 16 3.623 -1.229 5.829 121 2HG LYS 16 2HG LYS 16 1.525 -2.095 4.673 122 2HD LYS 16 2HD LYS 16 0.439 0.452 4.989 123 2HE LYS 16 2HE LYS 16 0.237 -1.944 6.269 124 1HZ LYS 16 1HZ LYS 16 0.924 -1.656 8.494 125 2HZ LYS 16 2HZ LYS 16 2.240 -1.391 7.562 126 3HZ LYS 16 3HZ LYS 16 1.449 -0.131 8.234 127 H TYR 17 H TYR 17 3.324 0.518 1.865 128 HA TYR 17 HA TYR 17 5.861 -0.416 0.848 129 2HB TYR 17 2HB TYR 17 4.343 0.384 -1.300 130 HD1 TYR 17 1HD TYR 17 4.211 -1.470 -2.685 131 HD2 TYR 17 2HD TYR 17 3.556 -1.986 1.511 132 HE1 TYR 17 1HE TYR 17 3.968 -3.978 -3.025 133 HE2 TYR 17 2HE TYR 17 3.314 -4.493 1.159 134 HH TYR 17 HH TYR 17 3.049 -6.078 -0.342 135 H GLY 18 H GLY 18 3.882 2.615 0.834 136 1HA GLY 18 1HA GLY 18 5.336 4.196 -0.840 137 2HA GLY 18 2HA GLY 18 4.524 4.764 0.604 138 HA PRO 19 HA PRO 19 8.339 5.053 2.732 139 2HB PRO 19 2HB PRO 19 7.491 4.933 4.869 140 2HG PRO 19 2HG PRO 19 5.572 3.669 5.073 141 2HD PRO 19 2HD PRO 19 4.769 3.796 2.921 142 H THR 20 H THR 20 7.657 1.699 2.109 143 HA THR 20 HA THR 20 10.484 1.061 2.170 144 HB THR 20 HB THR 20 8.326 -0.357 2.902 145 HG1 THR 20 1HG THR 20 9.770 -2.204 2.383 146 1HG2 THR 20 1HG2 THR 20 7.706 -0.234 0.241 147 2HG2 THR 20 2HG2 THR 20 8.794 -1.643 0.227 148 3HG2 THR 20 3HG2 THR 20 7.334 -1.653 1.246 149 H VAL 21 H VAL 21 10.424 3.048 0.434 150 HA VAL 21 HA VAL 21 9.660 2.586 -2.151 151 HB VAL 21 HB VAL 21 10.985 4.374 -2.695 152 1HG1 VAL 21 1HG1 VAL 21 10.596 5.958 -1.070 153 2HG1 VAL 21 2HG1 VAL 21 9.547 4.643 -0.488 154 3HG1 VAL 21 3HG1 VAL 21 11.146 4.900 0.252 155 1HG2 VAL 21 1HG2 VAL 21 13.184 3.720 -2.506 156 2HG2 VAL 21 2HG2 VAL 21 13.085 4.901 -1.178 157 3HG2 VAL 21 3HG2 VAL 21 12.990 3.159 -0.827 158 H LEU 22 H LEU 22 11.807 2.563 -3.882 159 HA LEU 22 HA LEU 22 13.573 1.352 -4.629 160 2HB LEU 22 2HB LEU 22 14.466 -0.563 -3.496 161 HG LEU 22 HG LEU 22 13.693 1.349 -1.282 162 1HD1 LEU 22 1HD1 LEU 22 15.115 0.222 -0.004 163 2HD1 LEU 22 2HD1 LEU 22 15.222 -1.001 -1.292 164 3HD1 LEU 22 3HD1 LEU 22 16.398 0.333 -1.232 165 1HD2 LEU 22 1HD2 LEU 22 16.081 1.656 -3.110 166 2HD2 LEU 22 2HD2 LEU 22 14.547 2.527 -3.344 167 3HD2 LEU 22 3HD2 LEU 22 15.498 2.777 -1.859 168 H ARG 23 H ARG 23 11.281 -1.118 -3.276 169 HA ARG 23 HA ARG 23 11.088 -2.278 -5.850 170 2HB ARG 23 2HB ARG 23 11.021 -3.741 -3.903 171 2HG ARG 23 2HG ARG 23 9.261 -1.659 -2.862 172 2HD ARG 23 2HD ARG 23 7.392 -3.154 -3.389 173 HE ARG 23 HE ARG 23 8.142 -5.381 -3.603 174 1HH1 ARG 23 1HH1 ARG 23 9.249 -7.581 -1.130 175 2HH1 ARG 23 2HH1 ARG 23 8.731 -7.429 -2.776 176 1HH2 ARG 23 1HH2 ARG 23 9.345 -5.707 0.236 177 2HH2 ARG 23 2HH2 ARG 23 8.898 -4.155 -0.392 178 H ILE 24 H ILE 24 9.848 0.534 -4.748 179 HA ILE 24 HA ILE 24 7.377 0.191 -6.284 180 HB ILE 24 HB ILE 24 6.394 1.889 -4.636 181 2HG1 ILE 24 2HG1 ILE 24 8.867 1.975 -3.557 182 1HG2 ILE 24 1HG2 ILE 24 6.227 -0.267 -2.934 183 2HG2 ILE 24 2HG2 ILE 24 5.217 0.008 -4.373 184 3HG2 ILE 24 3HG2 ILE 24 6.660 -1.026 -4.485 185 1HD1 ILE 24 1HD1 ILE 24 7.784 2.950 -1.547 186 2HD1 ILE 24 2HD1 ILE 24 6.979 3.501 -3.036 187 3HD1 ILE 24 3HD1 ILE 24 6.232 2.231 -2.037 188 H ILE 25 H ILE 25 9.920 2.373 -4.954 189 HA ILE 25 HA ILE 25 9.302 4.220 -7.150 190 HB ILE 25 HB ILE 25 11.104 5.075 -4.978 191 2HG1 ILE 25 2HG1 ILE 25 9.559 3.792 -3.634 192 1HG2 ILE 25 1HG2 ILE 25 8.851 6.778 -5.461 193 2HG2 ILE 25 2HG2 ILE 25 10.570 7.047 -5.835 194 3HG2 ILE 25 3HG2 ILE 25 9.519 6.234 -7.018 195 1HD1 ILE 25 1HD1 ILE 25 8.811 5.511 -2.170 196 2HD1 ILE 25 2HD1 ILE 25 10.204 6.235 -3.008 197 3HD1 ILE 25 3HD1 ILE 25 8.548 6.654 -3.508 198 H ARG 26 H ARG 26 11.624 1.961 -5.792 199 HA ARG 26 HA ARG 26 13.666 1.427 -6.320 200 2HB ARG 26 2HB ARG 26 13.803 0.550 -8.467 201 2HG ARG 26 2HG ARG 26 11.197 1.321 -9.430 202 2HD ARG 26 2HD ARG 26 10.865 -1.117 -8.167 203 HE ARG 26 HE ARG 26 12.261 -1.436 -10.663 204 1HH1 ARG 26 1HH1 ARG 26 9.465 -0.942 -12.693 205 2HH1 ARG 26 2HH1 ARG 26 11.089 -1.541 -12.622 206 1HH2 ARG 26 1HH2 ARG 26 8.479 -0.035 -10.798 207 2HH2 ARG 26 2HH2 ARG 26 9.368 0.045 -9.314 208 H ILE 27 H ILE 27 12.995 4.462 -6.031 209 HA ILE 27 HA ILE 27 15.447 5.426 -7.332 210 HB ILE 27 HB ILE 27 12.894 6.951 -6.803 211 2HG1 ILE 27 2HG1 ILE 27 13.484 5.177 -8.891 212 1HG2 ILE 27 1HG2 ILE 27 15.625 7.812 -7.310 213 2HG2 ILE 27 2HG2 ILE 27 14.499 8.400 -8.555 214 3HG2 ILE 27 3HG2 ILE 27 14.192 8.757 -6.838 215 1HD1 ILE 27 1HD1 ILE 27 11.323 5.692 -9.549 216 2HD1 ILE 27 2HD1 ILE 27 11.286 6.400 -7.916 217 3HD1 ILE 27 3HD1 ILE 27 11.562 7.442 -9.331 218 H ALA 28 H ALA 28 13.157 5.881 -4.556 219 HA ALA 28 HA ALA 28 13.518 6.391 -2.436 220 1HB ALA 28 1HB ALA 28 15.281 5.342 -1.370 221 2HB ALA 28 2HB ALA 28 15.318 4.485 -2.930 222 3HB ALA 28 3HB ALA 28 16.458 5.816 -2.617 223 H GLY 29 H GLY 29 13.670 8.436 -4.493 224 1HA GLY 29 1HA GLY 29 15.870 10.178 -3.947 225 2HA GLY 29 2HA GLY 29 14.424 10.535 -4.870 Start of MODEL 23 1 H ARG 1 H ARG 1 -5.542 -10.721 -1.425 2 HA ARG 1 HA ARG 1 -7.622 -11.578 -1.744 3 2HB ARG 1 2HB ARG 1 -9.439 -10.468 0.021 4 2HG ARG 1 2HG ARG 1 -8.449 -12.762 1.363 5 2HD ARG 1 2HD ARG 1 -10.251 -13.653 -0.628 6 HE ARG 1 HE ARG 1 -10.258 -13.515 2.120 7 1HH1 ARG 1 1HH1 ARG 1 -13.663 -13.602 2.882 8 2HH1 ARG 1 2HH1 ARG 1 -12.059 -13.882 3.478 9 1HH2 ARG 1 1HH2 ARG 1 -13.980 -12.855 0.707 10 2HH2 ARG 1 2HH2 ARG 1 -12.614 -12.578 -0.321 11 H GLY 2 H GLY 2 -8.174 -8.441 0.014 12 1HA GLY 2 1HA GLY 2 -8.082 -6.347 -1.167 13 2HA GLY 2 2HA GLY 2 -8.682 -7.158 -2.601 14 H LEU 3 H LEU 3 -10.690 -6.292 -2.995 15 HA LEU 3 HA LEU 3 -12.777 -5.638 -2.680 16 2HB LEU 3 2HB LEU 3 -13.557 -7.328 -0.492 17 HG LEU 3 HG LEU 3 -14.877 -8.516 -2.109 18 1HD1 LEU 3 1HD1 LEU 3 -15.764 -6.374 -1.430 19 2HD1 LEU 3 2HD1 LEU 3 -14.830 -5.544 -2.697 20 3HD1 LEU 3 3HD1 LEU 3 -16.142 -6.657 -3.147 21 1HD2 LEU 3 1HD2 LEU 3 -12.943 -8.525 -3.825 22 2HD2 LEU 3 2HD2 LEU 3 -14.620 -8.482 -4.419 23 3HD2 LEU 3 3HD2 LEU 3 -13.647 -6.992 -4.394 24 H ARG 4 H ARG 4 -14.486 -4.931 -0.841 25 HA ARG 4 HA ARG 4 -14.963 -3.624 0.820 26 2HB ARG 4 2HB ARG 4 -12.244 -3.613 2.101 27 2HG ARG 4 2HG ARG 4 -14.855 -3.049 2.916 28 2HD ARG 4 2HD ARG 4 -14.486 -5.891 3.163 29 HE ARG 4 HE ARG 4 -13.696 -4.569 5.577 30 1HH1 ARG 4 1HH1 ARG 4 -14.532 -7.175 7.744 31 2HH1 ARG 4 2HH1 ARG 4 -13.631 -5.706 7.558 32 1HH2 ARG 4 1HH2 ARG 4 -15.806 -7.985 5.981 33 2HH2 ARG 4 2HH2 ARG 4 -15.854 -7.122 4.480 34 H ARG 5 H ARG 5 -13.037 -1.769 2.252 35 HA ARG 5 HA ARG 5 -11.525 -0.357 0.450 36 2HB ARG 5 2HB ARG 5 -13.405 0.405 -0.780 37 2HG ARG 5 2HG ARG 5 -14.849 0.836 1.879 38 2HD ARG 5 2HD ARG 5 -15.366 1.725 -0.882 39 HE ARG 5 HE ARG 5 -17.050 -0.397 0.033 40 1HH1 ARG 5 1HH1 ARG 5 -19.886 0.519 -1.781 41 2HH1 ARG 5 2HH1 ARG 5 -19.100 -0.754 -0.910 42 1HH2 ARG 5 1HH2 ARG 5 -18.857 2.589 -1.991 43 2HH2 ARG 5 2HH2 ARG 5 -17.301 2.860 -1.276 44 H LEU 6 H LEU 6 -13.692 -0.384 3.297 45 HA LEU 6 HA LEU 6 -12.409 1.843 4.548 46 2HB LEU 6 2HB LEU 6 -13.785 1.118 6.505 47 HG LEU 6 HG LEU 6 -15.077 1.645 3.845 48 1HD1 LEU 6 1HD1 LEU 6 -16.983 0.679 4.462 49 2HD1 LEU 6 2HD1 LEU 6 -16.372 0.353 6.100 50 3HD1 LEU 6 3HD1 LEU 6 -17.115 1.926 5.724 51 1HD2 LEU 6 1HD2 LEU 6 -14.995 3.195 6.448 52 2HD2 LEU 6 2HD2 LEU 6 -13.985 3.494 5.014 53 3HD2 LEU 6 3HD2 LEU 6 -15.746 3.733 4.927 54 H GLY 7 H GLY 7 -12.469 -1.745 5.113 55 1HA GLY 7 1HA GLY 7 -10.820 -2.061 7.191 56 2HA GLY 7 2HA GLY 7 -10.766 -3.095 5.777 57 H ARG 8 H ARG 8 -9.096 -2.859 4.211 58 HA ARG 8 HA ARG 8 -7.154 -0.796 4.838 59 2HB ARG 8 2HB ARG 8 -5.846 -3.233 3.880 60 2HG ARG 8 2HG ARG 8 -4.950 -1.175 5.240 61 2HD ARG 8 2HD ARG 8 -4.954 -2.386 7.770 62 HE ARG 8 HE ARG 8 -6.928 -0.274 7.408 63 1HH1 ARG 8 1HH1 ARG 8 -4.646 2.288 8.049 64 2HH1 ARG 8 2HH1 ARG 8 -6.320 1.875 7.895 65 1HH2 ARG 8 1HH2 ARG 8 -3.018 0.658 7.761 66 2HH2 ARG 8 2HH2 ARG 8 -3.479 -0.970 7.391 67 H LYS 9 H LYS 9 -8.074 0.319 2.948 68 HA LYS 9 HA LYS 9 -7.135 -0.878 0.444 69 2HB LYS 9 2HB LYS 9 -9.803 0.506 0.851 70 2HG LYS 9 2HG LYS 9 -8.250 0.468 -1.447 71 2HD LYS 9 2HD LYS 9 -10.335 -1.693 -1.863 72 2HE LYS 9 2HE LYS 9 -7.712 -1.315 -3.336 73 1HZ LYS 9 1HZ LYS 9 -8.670 -2.708 -4.743 74 2HZ LYS 9 2HZ LYS 9 -9.734 -3.056 -3.555 75 3HZ LYS 9 3HZ LYS 9 -10.122 -1.959 -4.703 76 H ILE 10 H ILE 10 -8.146 2.067 2.270 77 HA ILE 10 HA ILE 10 -7.274 3.953 0.464 78 HB ILE 10 HB ILE 10 -7.223 4.074 3.483 79 2HG1 ILE 10 2HG1 ILE 10 -9.404 3.363 2.351 80 1HG2 ILE 10 1HG2 ILE 10 -7.847 6.583 2.541 81 2HG2 ILE 10 2HG2 ILE 10 -6.253 6.055 3.134 82 3HG2 ILE 10 3HG2 ILE 10 -6.607 6.029 1.390 83 1HD1 ILE 10 1HD1 ILE 10 -10.737 5.070 3.688 84 2HD1 ILE 10 2HD1 ILE 10 -9.460 4.242 4.610 85 3HD1 ILE 10 3HD1 ILE 10 -9.201 5.904 4.025 86 H ALA 11 H ALA 11 -5.434 2.539 3.265 87 HA ALA 11 HA ALA 11 -2.998 3.662 2.187 88 1HB ALA 11 1HB ALA 11 -3.528 3.682 4.625 89 2HB ALA 11 2HB ALA 11 -3.490 1.903 4.623 90 3HB ALA 11 3HB ALA 11 -2.012 2.823 4.260 91 H HIS 12 H HIS 12 -2.020 0.879 3.655 92 HA HIS 12 HA HIS 12 -0.964 -0.880 2.843 93 2HB HIS 12 2HB HIS 12 -2.797 -2.098 1.132 94 HD1 HIS 12 1HD HIS 12 -0.993 -1.945 4.226 95 HD2 HIS 12 2HD HIS 12 -4.348 -4.073 2.879 96 HE1 HIS 12 1HE HIS 12 -1.254 -3.936 5.799 97 H GLY 13 H GLY 13 0.783 -0.625 1.543 98 1HA GLY 13 1HA GLY 13 1.753 -0.903 -0.571 99 2HA GLY 13 2HA GLY 13 0.294 -0.303 -1.336 100 H VAL 14 H VAL 14 0.670 1.714 1.282 101 HA VAL 14 HA VAL 14 2.588 3.463 -0.063 102 HB VAL 14 HB VAL 14 0.013 3.843 -0.535 103 1HG1 VAL 14 1HG1 VAL 14 0.423 5.363 2.061 104 2HG1 VAL 14 2HG1 VAL 14 -1.002 5.443 1.000 105 3HG1 VAL 14 3HG1 VAL 14 -0.614 3.930 1.855 106 1HG2 VAL 14 1HG2 VAL 14 0.951 5.573 -1.582 107 2HG2 VAL 14 2HG2 VAL 14 0.965 6.478 -0.051 108 3HG2 VAL 14 3HG2 VAL 14 2.368 5.483 -0.510 109 H LYS 15 H LYS 15 0.598 2.654 2.831 110 HA LYS 15 HA LYS 15 2.084 4.359 4.545 111 2HB LYS 15 2HB LYS 15 -0.045 2.277 4.855 112 2HG LYS 15 2HG LYS 15 1.717 1.885 6.671 113 2HD LYS 15 2HD LYS 15 2.043 4.566 6.741 114 2HE LYS 15 2HE LYS 15 0.293 4.149 9.178 115 1HZ LYS 15 1HZ LYS 15 0.067 6.633 8.423 116 2HZ LYS 15 2HZ LYS 15 1.317 6.127 9.346 117 3HZ LYS 15 3HZ LYS 15 1.517 6.330 7.737 118 H LYS 16 H LYS 16 2.369 1.005 3.389 119 HA LYS 16 HA LYS 16 4.695 0.694 5.152 120 2HB LYS 16 2HB LYS 16 3.812 -1.270 5.699 121 2HG LYS 16 2HG LYS 16 1.692 -2.107 4.552 122 2HD LYS 16 2HD LYS 16 1.085 0.753 5.099 123 2HE LYS 16 2HE LYS 16 0.113 -1.970 5.821 124 1HZ LYS 16 1HZ LYS 16 0.514 0.052 7.788 125 2HZ LYS 16 2HZ LYS 16 -1.036 -0.452 7.696 126 3HZ LYS 16 3HZ LYS 16 0.159 -1.530 7.980 127 H TYR 17 H TYR 17 3.440 0.633 1.814 128 HA TYR 17 HA TYR 17 5.991 -0.208 0.759 129 2HB TYR 17 2HB TYR 17 4.458 0.648 -1.355 130 HD1 TYR 17 1HD TYR 17 4.337 -1.892 1.356 131 HD2 TYR 17 2HD TYR 17 3.729 -1.100 -2.804 132 HE1 TYR 17 1HE TYR 17 4.133 -4.385 0.903 133 HE2 TYR 17 2HE TYR 17 3.526 -3.596 -3.242 134 HH TYR 17 HH TYR 17 3.122 -5.575 -2.213 135 H GLY 18 H GLY 18 3.969 2.788 0.891 136 1HA GLY 18 1HA GLY 18 5.407 4.456 -0.725 137 2HA GLY 18 2HA GLY 18 4.562 4.954 0.728 138 HA PRO 19 HA PRO 19 8.339 5.253 2.920 139 2HB PRO 19 2HB PRO 19 7.452 5.071 5.037 140 2HG PRO 19 2HG PRO 19 5.547 3.777 5.175 141 2HD PRO 19 2HD PRO 19 4.782 3.943 3.014 142 H THR 20 H THR 20 7.744 1.828 2.444 143 HA THR 20 HA THR 20 10.643 1.517 2.044 144 HB THR 20 HB THR 20 9.274 0.176 3.834 145 HG1 THR 20 1HG THR 20 10.548 -1.768 3.010 146 1HG2 THR 20 1HG2 THR 20 7.664 -0.466 1.642 147 2HG2 THR 20 2HG2 THR 20 8.776 -1.854 1.728 148 3HG2 THR 20 3HG2 THR 20 7.777 -1.426 3.138 149 H VAL 21 H VAL 21 9.908 2.790 -0.053 150 HA VAL 21 HA VAL 21 8.471 1.499 -2.024 151 HB VAL 21 HB VAL 21 9.369 3.076 -3.484 152 1HG1 VAL 21 1HG1 VAL 21 9.973 4.880 -1.297 153 2HG1 VAL 21 2HG1 VAL 21 8.563 4.844 -2.386 154 3HG1 VAL 21 3HG1 VAL 21 8.571 3.856 -0.905 155 1HG2 VAL 21 1HG2 VAL 21 11.603 4.270 -2.249 156 2HG2 VAL 21 2HG2 VAL 21 11.854 2.512 -2.112 157 3HG2 VAL 21 3HG2 VAL 21 11.582 3.252 -3.709 158 H LEU 22 H LEU 22 10.499 1.455 -4.191 159 HA LEU 22 HA LEU 22 12.158 0.177 -5.015 160 2HB LEU 22 2HB LEU 22 12.317 -1.712 -2.742 161 HG LEU 22 HG LEU 22 14.032 -0.917 -4.843 162 1HD1 LEU 22 1HD1 LEU 22 15.108 0.846 -3.906 163 2HD1 LEU 22 2HD1 LEU 22 14.762 0.324 -2.239 164 3HD1 LEU 22 3HD1 LEU 22 16.062 -0.461 -3.167 165 1HD2 LEU 22 1HD2 LEU 22 13.859 -3.170 -3.990 166 2HD2 LEU 22 2HD2 LEU 22 15.543 -2.611 -3.855 167 3HD2 LEU 22 3HD2 LEU 22 14.505 -2.661 -2.410 168 H ARG 23 H ARG 23 11.735 -1.325 -6.570 169 HA ARG 23 HA ARG 23 10.534 -2.700 -7.743 170 2HB ARG 23 2HB ARG 23 9.844 -4.879 -6.296 171 2HG ARG 23 2HG ARG 23 12.503 -5.327 -6.249 172 2HD ARG 23 2HD ARG 23 11.743 -4.993 -9.055 173 HE ARG 23 HE ARG 23 11.684 -7.627 -7.746 174 1HH1 ARG 23 1HH1 ARG 23 14.886 -8.425 -8.880 175 2HH1 ARG 23 2HH1 ARG 23 13.439 -9.034 -8.148 176 1HH2 ARG 23 1HH2 ARG 23 15.041 -6.182 -9.453 177 2HH2 ARG 23 2HH2 ARG 23 13.710 -5.115 -9.148 178 H ILE 24 H ILE 24 9.078 -0.688 -5.784 179 HA ILE 24 HA ILE 24 6.423 -1.772 -6.329 180 HB ILE 24 HB ILE 24 5.644 -1.049 -4.117 181 2HG1 ILE 24 2HG1 ILE 24 7.785 0.498 -3.888 182 1HG2 ILE 24 1HG2 ILE 24 7.803 -3.164 -4.230 183 2HG2 ILE 24 2HG2 ILE 24 6.747 -2.913 -2.820 184 3HG2 ILE 24 3HG2 ILE 24 6.041 -3.372 -4.390 185 1HD1 ILE 24 1HD1 ILE 24 7.473 -0.013 -1.246 186 2HD1 ILE 24 2HD1 ILE 24 6.255 0.871 -2.196 187 3HD1 ILE 24 3HD1 ILE 24 6.040 -0.863 -1.865 188 H ILE 25 H ILE 25 8.392 1.052 -5.190 189 HA ILE 25 HA ILE 25 6.617 2.724 -6.829 190 HB ILE 25 HB ILE 25 8.066 4.038 -4.643 191 2HG1 ILE 25 2HG1 ILE 25 7.647 2.304 -3.205 192 1HG2 ILE 25 1HG2 ILE 25 5.188 4.065 -5.594 193 2HG2 ILE 25 2HG2 ILE 25 5.880 5.139 -4.354 194 3HG2 ILE 25 3HG2 ILE 25 6.468 5.221 -6.032 195 1HD1 ILE 25 1HD1 ILE 25 4.880 3.584 -3.283 196 2HD1 ILE 25 2HD1 ILE 25 5.660 2.790 -1.895 197 3HD1 ILE 25 3HD1 ILE 25 6.296 4.335 -2.508 198 H ARG 26 H ARG 26 9.890 1.758 -5.877 199 HA ARG 26 HA ARG 26 11.866 2.407 -6.537 200 2HB ARG 26 2HB ARG 26 12.252 1.838 -8.766 201 2HG ARG 26 2HG ARG 26 9.519 1.073 -9.393 202 2HD ARG 26 2HD ARG 26 10.465 -1.219 -9.080 203 HE ARG 26 HE ARG 26 12.649 0.194 -10.463 204 1HH1 ARG 26 1HH1 ARG 26 11.213 -0.371 -13.592 205 2HH1 ARG 26 2HH1 ARG 26 12.630 0.154 -12.748 206 1HH2 ARG 26 1HH2 ARG 26 9.334 -1.040 -12.404 207 2HH2 ARG 26 2HH2 ARG 26 9.349 -1.008 -10.671 208 H ILE 27 H ILE 27 9.809 4.647 -5.941 209 HA ILE 27 HA ILE 27 11.267 6.777 -7.344 210 HB ILE 27 HB ILE 27 8.345 6.655 -6.592 211 2HG1 ILE 27 2HG1 ILE 27 9.678 5.765 -8.887 212 1HG2 ILE 27 1HG2 ILE 27 9.542 8.888 -6.205 213 2HG2 ILE 27 2HG2 ILE 27 9.701 8.967 -7.975 214 3HG2 ILE 27 3HG2 ILE 27 8.088 8.893 -7.230 215 1HD1 ILE 27 1HD1 ILE 27 7.582 4.996 -9.399 216 2HD1 ILE 27 2HD1 ILE 27 7.174 5.581 -7.767 217 3HD1 ILE 27 3HD1 ILE 27 6.838 6.601 -9.188 218 H ALA 28 H ALA 28 9.270 5.989 -4.413 219 HA ALA 28 HA ALA 28 9.510 6.556 -2.289 220 1HB ALA 28 1HB ALA 28 11.580 6.144 -1.492 221 2HB ALA 28 2HB ALA 28 12.087 5.969 -3.189 222 3HB ALA 28 3HB ALA 28 12.273 7.534 -2.362 223 H GLY 29 H GLY 29 8.517 8.472 -4.229 224 1HA GLY 29 1HA GLY 29 9.668 11.039 -3.704 225 2HA GLY 29 2HA GLY 29 8.164 10.688 -4.532 Start of MODEL 24 1 H ARG 1 H ARG 1 -11.790 -6.966 -1.620 2 HA ARG 1 HA ARG 1 -10.843 -4.874 -2.065 3 2HB ARG 1 2HB ARG 1 -10.237 -6.043 -4.829 4 2HG ARG 1 2HG ARG 1 -9.233 -3.381 -3.795 5 2HD ARG 1 2HD ARG 1 -10.042 -3.903 -6.636 6 HE ARG 1 HE ARG 1 -8.598 -1.918 -5.438 7 1HH1 ARG 1 1HH1 ARG 1 -5.967 -1.352 -7.659 8 2HH1 ARG 1 2HH1 ARG 1 -6.920 -0.683 -6.378 9 1HH2 ARG 1 1HH2 ARG 1 -6.391 -3.504 -8.418 10 2HH2 ARG 1 2HH2 ARG 1 -7.662 -4.439 -7.706 11 H GLY 2 H GLY 2 -13.104 -4.414 -1.711 12 1HA GLY 2 1HA GLY 2 -14.509 -3.426 -3.950 13 2HA GLY 2 2HA GLY 2 -15.170 -4.985 -3.495 14 H LEU 3 H LEU 3 -16.645 -5.084 -1.836 15 HA LEU 3 HA LEU 3 -17.851 -2.895 -0.816 16 2HB LEU 3 2HB LEU 3 -17.846 -4.986 1.162 17 HG LEU 3 HG LEU 3 -19.874 -4.140 -0.921 18 1HD1 LEU 3 1HD1 LEU 3 -21.307 -5.518 0.945 19 2HD1 LEU 3 2HD1 LEU 3 -20.768 -6.173 -0.621 20 3HD1 LEU 3 3HD1 LEU 3 -19.819 -6.490 0.851 21 1HD2 LEU 3 1HD2 LEU 3 -20.137 -2.438 0.503 22 2HD2 LEU 3 2HD2 LEU 3 -20.920 -3.626 1.570 23 3HD2 LEU 3 3HD2 LEU 3 -19.197 -3.240 1.783 24 H ARG 4 H ARG 4 -15.091 -4.715 0.665 25 HA ARG 4 HA ARG 4 -14.923 -3.286 2.961 26 2HB ARG 4 2HB ARG 4 -12.336 -4.000 1.600 27 2HG ARG 4 2HG ARG 4 -13.475 -3.910 4.302 28 2HD ARG 4 2HD ARG 4 -13.333 -6.507 3.517 29 HE ARG 4 HE ARG 4 -10.571 -5.716 3.655 30 1HH1 ARG 4 1HH1 ARG 4 -9.306 -8.932 4.141 31 2HH1 ARG 4 2HH1 ARG 4 -8.926 -7.303 3.691 32 1HH2 ARG 4 1HH2 ARG 4 -11.483 -9.503 4.704 33 2HH2 ARG 4 2HH2 ARG 4 -12.731 -8.300 4.676 34 H ARG 5 H ARG 5 -13.129 -1.646 3.579 35 HA ARG 5 HA ARG 5 -11.844 -0.144 1.695 36 2HB ARG 5 2HB ARG 5 -14.035 1.643 2.660 37 2HG ARG 5 2HG ARG 5 -13.170 1.257 -0.212 38 2HD ARG 5 2HD ARG 5 -13.896 3.653 1.542 39 HE ARG 5 HE ARG 5 -12.254 3.735 -0.719 40 1HH1 ARG 5 1HH1 ARG 5 -13.400 6.675 -2.210 41 2HH1 ARG 5 2HH1 ARG 5 -12.095 5.542 -2.109 42 1HH2 ARG 5 1HH2 ARG 5 -15.315 6.357 -0.936 43 2HH2 ARG 5 2HH2 ARG 5 -15.435 4.987 0.117 44 H LEU 6 H LEU 6 -13.572 -0.338 4.816 45 HA LEU 6 HA LEU 6 -12.040 1.746 6.033 46 2HB LEU 6 2HB LEU 6 -13.138 0.893 8.111 47 HG LEU 6 HG LEU 6 -14.789 1.671 5.722 48 1HD1 LEU 6 1HD1 LEU 6 -16.195 0.085 6.928 49 2HD1 LEU 6 2HD1 LEU 6 -15.913 0.969 8.447 50 3HD1 LEU 6 3HD1 LEU 6 -16.805 1.747 7.117 51 1HD2 LEU 6 1HD2 LEU 6 -15.138 3.313 8.039 52 2HD2 LEU 6 2HD2 LEU 6 -13.397 3.043 7.780 53 3HD2 LEU 6 3HD2 LEU 6 -14.398 3.720 6.473 54 H GLY 7 H GLY 7 -12.149 -1.876 6.324 55 1HA GLY 7 1HA GLY 7 -10.235 -2.411 8.099 56 2HA GLY 7 2HA GLY 7 -10.411 -3.313 6.607 57 H ARG 8 H ARG 8 -8.981 -2.947 4.834 58 HA ARG 8 HA ARG 8 -6.906 -0.989 5.356 59 2HB ARG 8 2HB ARG 8 -5.456 -2.997 4.148 60 2HG ARG 8 2HG ARG 8 -5.658 -1.815 6.760 61 2HD ARG 8 2HD ARG 8 -4.638 -4.585 7.172 62 HE ARG 8 HE ARG 8 -5.334 -2.443 8.816 63 1HH1 ARG 8 1HH1 ARG 8 -6.324 -4.141 11.698 64 2HH1 ARG 8 2HH1 ARG 8 -5.776 -2.631 11.050 65 1HH2 ARG 8 1HH2 ARG 8 -6.610 -5.971 10.298 66 2HH2 ARG 8 2HH2 ARG 8 -6.274 -5.826 8.605 67 H LYS 9 H LYS 9 -8.071 0.281 3.707 68 HA LYS 9 HA LYS 9 -7.505 -0.716 1.010 69 2HB LYS 9 2HB LYS 9 -10.062 0.655 1.893 70 2HG LYS 9 2HG LYS 9 -8.898 0.904 -0.560 71 2HD LYS 9 2HD LYS 9 -9.073 -1.719 -0.684 72 2HE LYS 9 2HE LYS 9 -11.470 -2.028 -1.945 73 1HZ LYS 9 1HZ LYS 9 -10.364 -3.057 0.185 74 2HZ LYS 9 2HZ LYS 9 -11.567 -2.241 0.930 75 3HZ LYS 9 3HZ LYS 9 -11.921 -3.356 -0.210 76 H ILE 10 H ILE 10 -8.195 2.082 3.183 77 HA ILE 10 HA ILE 10 -7.537 4.097 1.428 78 HB ILE 10 HB ILE 10 -7.070 3.974 4.410 79 2HG1 ILE 10 2HG1 ILE 10 -9.401 3.379 3.536 80 1HG2 ILE 10 1HG2 ILE 10 -5.900 5.845 3.367 81 2HG2 ILE 10 2HG2 ILE 10 -7.403 6.353 2.562 82 3HG2 ILE 10 3HG2 ILE 10 -7.281 6.413 4.336 83 1HD1 ILE 10 1HD1 ILE 10 -8.908 5.768 5.368 84 2HD1 ILE 10 2HD1 ILE 10 -10.501 4.997 5.174 85 3HD1 ILE 10 3HD1 ILE 10 -9.138 4.068 5.844 86 H ALA 11 H ALA 11 -5.361 2.449 3.832 87 HA ALA 11 HA ALA 11 -3.072 3.625 2.512 88 1HB ALA 11 1HB ALA 11 -3.321 3.431 5.015 89 2HB ALA 11 2HB ALA 11 -3.202 1.663 4.835 90 3HB ALA 11 3HB ALA 11 -1.831 2.699 4.372 91 H HIS 12 H HIS 12 -1.939 0.745 3.617 92 HA HIS 12 HA HIS 12 -1.035 -0.956 2.536 93 2HB HIS 12 2HB HIS 12 -3.125 -2.049 1.049 94 HD1 HIS 12 1HD HIS 12 -0.864 -2.109 3.834 95 HD2 HIS 12 2HD HIS 12 -4.405 -4.145 2.871 96 HE1 HIS 12 1HE HIS 12 -0.903 -4.205 5.288 97 H GLY 13 H GLY 13 0.495 -0.608 1.005 98 1HA GLY 13 1HA GLY 13 1.123 -0.747 -1.249 99 2HA GLY 13 2HA GLY 13 -0.426 -0.092 -1.737 100 H VAL 14 H VAL 14 0.358 1.744 0.917 101 HA VAL 14 HA VAL 14 2.084 3.571 -0.580 102 HB VAL 14 HB VAL 14 -0.529 3.990 -0.640 103 1HG1 VAL 14 1HG1 VAL 14 -1.194 5.596 1.143 104 2HG1 VAL 14 2HG1 VAL 14 -0.911 3.948 1.752 105 3HG1 VAL 14 3HG1 VAL 14 0.313 5.215 2.007 106 1HG2 VAL 14 1HG2 VAL 14 1.627 5.435 -1.317 107 2HG2 VAL 14 2HG2 VAL 14 -0.029 6.085 -1.392 108 3HG2 VAL 14 3HG2 VAL 14 1.013 6.460 0.003 109 H LYS 15 H LYS 15 0.526 2.586 2.519 110 HA LYS 15 HA LYS 15 2.272 4.167 4.101 111 2HB LYS 15 2HB LYS 15 1.296 2.299 5.813 112 2HG LYS 15 2HG LYS 15 -0.866 3.972 5.594 113 2HD LYS 15 2HD LYS 15 1.206 3.711 7.336 114 2HE LYS 15 2HE LYS 15 2.627 5.216 5.812 115 1HZ LYS 15 1HZ LYS 15 2.124 7.569 6.094 116 2HZ LYS 15 2HZ LYS 15 0.954 6.799 5.253 117 3HZ LYS 15 3HZ LYS 15 0.706 7.198 6.817 118 H LYS 16 H LYS 16 2.329 0.884 2.723 119 HA LYS 16 HA LYS 16 4.886 0.450 4.095 120 2HB LYS 16 2HB LYS 16 4.039 -1.531 4.642 121 2HG LYS 16 2HG LYS 16 1.797 -2.300 3.745 122 2HD LYS 16 2HD LYS 16 0.876 0.316 4.377 123 2HE LYS 16 2HE LYS 16 0.481 -2.209 5.325 124 1HZ LYS 16 1HZ LYS 16 1.206 -1.820 7.748 125 2HZ LYS 16 2HZ LYS 16 2.265 -2.470 6.689 126 3HZ LYS 16 3HZ LYS 16 2.376 -0.892 7.092 127 H TYR 17 H TYR 17 3.166 0.620 0.974 128 HA TYR 17 HA TYR 17 5.527 -0.156 -0.491 129 2HB TYR 17 2HB TYR 17 3.724 0.857 -2.299 130 HD1 TYR 17 1HD TYR 17 3.265 -0.822 -3.839 131 HD2 TYR 17 2HD TYR 17 3.443 -1.824 0.316 132 HE1 TYR 17 1HE TYR 17 2.954 -3.279 -4.410 133 HE2 TYR 17 2HE TYR 17 3.133 -4.278 -0.268 134 HH TYR 17 HH TYR 17 2.035 -5.531 -2.237 135 H GLY 18 H GLY 18 3.591 2.837 0.131 136 1HA GLY 18 1HA GLY 18 4.830 4.600 -1.556 137 2HA GLY 18 2HA GLY 18 4.184 5.006 0.022 138 HA PRO 19 HA PRO 19 8.207 5.209 1.711 139 2HB PRO 19 2HB PRO 19 7.563 5.056 3.916 140 2HG PRO 19 2HG PRO 19 5.639 3.834 4.276 141 2HD PRO 19 2HD PRO 19 4.638 4.035 2.218 142 H THR 20 H THR 20 7.417 1.826 1.256 143 HA THR 20 HA THR 20 8.893 0.097 0.956 144 HB THR 20 HB THR 20 8.013 0.674 -1.238 145 HG1 THR 20 1HG THR 20 9.761 -0.756 -1.491 146 1HG2 THR 20 1HG2 THR 20 8.782 3.170 -1.061 147 2HG2 THR 20 2HG2 THR 20 10.362 2.578 -1.627 148 3HG2 THR 20 3HG2 THR 20 8.921 2.385 -2.652 149 H VAL 21 H VAL 21 10.087 1.790 2.859 150 HA VAL 21 HA VAL 21 12.578 2.750 2.223 151 HB VAL 21 HB VAL 21 12.910 2.892 4.477 152 1HG1 VAL 21 1HG1 VAL 21 9.991 2.280 4.780 153 2HG1 VAL 21 2HG1 VAL 21 10.939 3.655 5.394 154 3HG1 VAL 21 3HG1 VAL 21 10.487 3.582 3.674 155 1HG2 VAL 21 1HG2 VAL 21 11.937 0.104 4.507 156 2HG2 VAL 21 2HG2 VAL 21 13.219 0.888 5.463 157 3HG2 VAL 21 3HG2 VAL 21 11.515 1.057 5.949 158 H LEU 22 H LEU 22 14.572 1.467 3.605 159 HA LEU 22 HA LEU 22 15.750 -0.481 3.792 160 2HB LEU 22 2HB LEU 22 14.198 -1.761 1.569 161 HG LEU 22 HG LEU 22 14.629 -3.827 2.688 162 1HD1 LEU 22 1HD1 LEU 22 16.421 -2.859 1.234 163 2HD1 LEU 22 2HD1 LEU 22 17.236 -2.290 2.711 164 3HD1 LEU 22 3HD1 LEU 22 16.997 -4.032 2.440 165 1HD2 LEU 22 1HD2 LEU 22 14.514 -3.618 4.944 166 2HD2 LEU 22 2HD2 LEU 22 16.287 -3.602 4.771 167 3HD2 LEU 22 3HD2 LEU 22 15.396 -2.073 4.965 168 H ARG 23 H ARG 23 14.749 -0.367 0.307 169 HA ARG 23 HA ARG 23 17.489 -0.202 -0.407 170 2HB ARG 23 2HB ARG 23 16.594 -0.194 -2.752 171 2HG ARG 23 2HG ARG 23 14.752 -2.210 -1.762 172 2HD ARG 23 2HD ARG 23 17.623 -2.491 -2.771 173 HE ARG 23 HE ARG 23 15.547 -4.427 -2.160 174 1HH1 ARG 23 1HH1 ARG 23 17.124 -7.046 -3.844 175 2HH1 ARG 23 2HH1 ARG 23 15.891 -6.620 -2.704 176 1HH2 ARG 23 1HH2 ARG 23 18.427 -5.390 -4.816 177 2HH2 ARG 23 2HH2 ARG 23 18.166 -3.729 -4.404 178 H ILE 24 H ILE 24 15.621 2.065 0.953 179 HA ILE 24 HA ILE 24 16.790 4.205 -0.668 180 HB ILE 24 HB ILE 24 14.638 5.491 -0.081 181 2HG1 ILE 24 2HG1 ILE 24 13.923 3.360 1.346 182 1HG2 ILE 24 1HG2 ILE 24 15.148 5.134 -2.342 183 2HG2 ILE 24 2HG2 ILE 24 14.888 3.377 -2.219 184 3HG2 ILE 24 3HG2 ILE 24 13.501 4.489 -2.141 185 1HD1 ILE 24 1HD1 ILE 24 12.677 5.675 0.446 186 2HD1 ILE 24 2HD1 ILE 24 11.596 4.395 -0.155 187 3HD1 ILE 24 3HD1 ILE 24 11.966 4.504 1.582 188 H ILE 25 H ILE 25 15.357 3.099 2.449 189 HA ILE 25 HA ILE 25 16.937 5.194 3.765 190 HB ILE 25 HB ILE 25 14.859 3.750 5.281 191 2HG1 ILE 25 2HG1 ILE 25 13.676 3.912 3.184 192 1HG2 ILE 25 1HG2 ILE 25 16.352 6.167 5.442 193 2HG2 ILE 25 2HG2 ILE 25 14.627 6.593 5.339 194 3HG2 ILE 25 3HG2 ILE 25 15.198 5.489 6.613 195 1HD1 ILE 25 1HD1 ILE 25 12.742 6.344 4.730 196 2HD1 ILE 25 2HD1 ILE 25 11.770 5.085 3.930 197 3HD1 ILE 25 3HD1 ILE 25 12.619 4.723 5.454 198 H ARG 26 H ARG 26 16.469 1.756 3.252 199 HA ARG 26 HA ARG 26 17.357 -0.020 4.144 200 2HB ARG 26 2HB ARG 26 19.657 -0.102 3.807 201 2HG ARG 26 2HG ARG 26 20.067 2.607 2.913 202 2HD ARG 26 2HD ARG 26 19.344 1.076 0.685 203 HE ARG 26 HE ARG 26 21.806 1.948 1.910 204 1HH1 ARG 26 1HH1 ARG 26 23.863 0.906 -0.709 205 2HH1 ARG 26 2HH1 ARG 26 23.750 1.892 0.709 206 1HH2 ARG 26 1HH2 ARG 26 22.041 -0.361 -1.390 207 2HH2 ARG 26 2HH2 ARG 26 20.568 -0.318 -0.481 208 H ILE 27 H ILE 27 16.256 2.168 6.078 209 HA ILE 27 HA ILE 27 17.580 1.123 8.484 210 HB ILE 27 HB ILE 27 16.373 3.859 8.059 211 2HG1 ILE 27 2HG1 ILE 27 18.888 2.906 7.280 212 1HG2 ILE 27 1HG2 ILE 27 17.073 4.387 10.284 213 2HG2 ILE 27 2HG2 ILE 27 16.089 2.905 10.352 214 3HG2 ILE 27 3HG2 ILE 27 17.863 2.803 10.472 215 1HD1 ILE 27 1HD1 ILE 27 17.374 5.078 6.775 216 2HD1 ILE 27 2HD1 ILE 27 18.507 5.813 7.932 217 3HD1 ILE 27 3HD1 ILE 27 19.122 5.056 6.444 218 H ALA 28 H ALA 28 14.508 2.489 7.117 219 HA ALA 28 HA ALA 28 12.391 1.973 7.488 220 1HB ALA 28 1HB ALA 28 11.831 -0.276 7.654 221 2HB ALA 28 2HB ALA 28 13.515 -0.388 7.092 222 3HB ALA 28 3HB ALA 28 13.134 -0.626 8.815 223 H GLY 29 H GLY 29 13.899 3.513 9.439 224 1HA GLY 29 1HA GLY 29 13.559 2.767 12.076 225 2HA GLY 29 2HA GLY 29 13.585 4.412 11.474 Start of MODEL 25 1 H ARG 1 H ARG 1 -14.122 3.112 8.642 2 HA ARG 1 HA ARG 1 -12.324 2.004 9.265 3 2HB ARG 1 2HB ARG 1 -12.647 1.361 11.886 4 2HG ARG 1 2HG ARG 1 -12.814 4.223 10.830 5 2HD ARG 1 2HD ARG 1 -11.423 3.224 13.347 6 HE ARG 1 HE ARG 1 -11.792 5.823 12.094 7 1HH1 ARG 1 1HH1 ARG 1 -10.588 7.597 14.846 8 2HH1 ARG 1 2HH1 ARG 1 -10.993 7.677 13.164 9 1HH2 ARG 1 1HH2 ARG 1 -10.858 5.608 16.013 10 2HH2 ARG 1 2HH2 ARG 1 -11.465 4.202 15.199 11 H GLY 2 H GLY 2 -14.880 0.243 8.460 12 1HA GLY 2 1HA GLY 2 -13.542 -2.269 8.714 13 2HA GLY 2 2HA GLY 2 -14.911 -2.153 9.803 14 H LEU 3 H LEU 3 -14.072 -1.357 6.350 15 HA LEU 3 HA LEU 3 -16.428 -2.833 5.524 16 2HB LEU 3 2HB LEU 3 -16.681 -0.636 3.938 17 HG LEU 3 HG LEU 3 -18.303 -1.898 5.797 18 1HD1 LEU 3 1HD1 LEU 3 -19.066 -0.450 7.407 19 2HD1 LEU 3 2HD1 LEU 3 -17.341 -0.018 7.364 20 3HD1 LEU 3 3HD1 LEU 3 -18.534 0.998 6.522 21 1HD2 LEU 3 1HD2 LEU 3 -19.517 -1.366 3.995 22 2HD2 LEU 3 2HD2 LEU 3 -19.880 0.142 4.869 23 3HD2 LEU 3 3HD2 LEU 3 -18.570 0.106 3.665 24 H ARG 4 H ARG 4 -16.384 -2.224 2.812 25 HA ARG 4 HA ARG 4 -13.942 -3.522 2.123 26 2HB ARG 4 2HB ARG 4 -15.148 -3.147 -0.282 27 2HG ARG 4 2HG ARG 4 -14.999 -5.233 1.603 28 2HD ARG 4 2HD ARG 4 -17.855 -4.495 0.956 29 HE ARG 4 HE ARG 4 -16.781 -7.154 0.522 30 1HH1 ARG 4 1HH1 ARG 4 -19.891 -8.732 0.640 31 2HH1 ARG 4 2HH1 ARG 4 -18.226 -8.892 0.190 32 1HH2 ARG 4 1HH2 ARG 4 -20.654 -6.753 1.583 33 2HH2 ARG 4 2HH2 ARG 4 -19.558 -5.436 1.834 34 H ARG 5 H ARG 5 -13.198 -1.075 3.091 35 HA ARG 5 HA ARG 5 -11.751 0.003 1.058 36 2HB ARG 5 2HB ARG 5 -13.596 2.231 1.641 37 2HG ARG 5 2HG ARG 5 -12.641 0.888 -0.933 38 2HD ARG 5 2HD ARG 5 -13.262 3.206 -1.892 39 HE ARG 5 HE ARG 5 -14.981 0.956 -1.423 40 1HH1 ARG 5 1HH1 ARG 5 -17.623 2.080 -3.405 41 2HH1 ARG 5 2HH1 ARG 5 -16.916 0.713 -2.614 42 1HH2 ARG 5 1HH2 ARG 5 -16.608 4.161 -3.255 43 2HH2 ARG 5 2HH2 ARG 5 -15.141 4.347 -2.352 44 H LEU 6 H LEU 6 -13.508 0.424 4.133 45 HA LEU 6 HA LEU 6 -11.780 2.489 5.092 46 2HB LEU 6 2HB LEU 6 -12.970 2.037 7.242 47 HG LEU 6 HG LEU 6 -14.518 2.643 4.741 48 1HD1 LEU 6 1HD1 LEU 6 -16.098 3.160 7.104 49 2HD1 LEU 6 2HD1 LEU 6 -16.524 2.278 5.617 50 3HD1 LEU 6 3HD1 LEU 6 -15.725 1.424 6.961 51 1HD2 LEU 6 1HD2 LEU 6 -13.774 4.677 5.227 52 2HD2 LEU 6 2HD2 LEU 6 -14.813 4.654 6.673 53 3HD2 LEU 6 3HD2 LEU 6 -13.116 4.128 6.788 54 H GLY 7 H GLY 7 -12.217 -1.050 5.765 55 1HA GLY 7 1HA GLY 7 -10.434 -1.585 7.659 56 2HA GLY 7 2HA GLY 7 -10.600 -2.586 6.232 57 H ARG 8 H ARG 8 -9.063 -2.449 4.510 58 HA ARG 8 HA ARG 8 -6.886 -0.599 4.988 59 2HB ARG 8 2HB ARG 8 -5.200 -2.276 4.879 60 2HG ARG 8 2HG ARG 8 -5.960 -4.132 6.437 61 2HD ARG 8 2HD ARG 8 -6.204 -1.208 6.942 62 HE ARG 8 HE ARG 8 -7.989 -1.522 8.422 63 1HH1 ARG 8 1HH1 ARG 8 -8.518 -3.943 10.880 64 2HH1 ARG 8 2HH1 ARG 8 -9.083 -2.455 10.197 65 1HH2 ARG 8 1HH2 ARG 8 -6.649 -4.991 9.989 66 2HH2 ARG 8 2HH2 ARG 8 -5.818 -4.284 8.642 67 H LYS 9 H LYS 9 -8.218 0.415 3.150 68 HA LYS 9 HA LYS 9 -7.419 -0.815 0.604 69 2HB LYS 9 2HB LYS 9 -9.951 0.777 1.092 70 2HG LYS 9 2HG LYS 9 -8.548 0.084 -1.277 71 2HD LYS 9 2HD LYS 9 -10.622 -1.932 -0.521 72 2HE LYS 9 2HE LYS 9 -10.405 -1.072 -3.427 73 1HZ LYS 9 1HZ LYS 9 -11.983 -2.603 -3.697 74 2HZ LYS 9 2HZ LYS 9 -11.431 -3.229 -2.294 75 3HZ LYS 9 3HZ LYS 9 -12.752 -2.269 -2.296 76 H ILE 10 H ILE 10 -8.288 2.256 2.323 77 HA ILE 10 HA ILE 10 -7.375 4.003 0.406 78 HB ILE 10 HB ILE 10 -7.294 4.299 3.411 79 2HG1 ILE 10 2HG1 ILE 10 -9.506 3.591 2.332 80 1HG2 ILE 10 1HG2 ILE 10 -6.888 6.203 1.145 81 2HG2 ILE 10 2HG2 ILE 10 -7.760 6.771 2.590 82 3HG2 ILE 10 3HG2 ILE 10 -6.106 6.131 2.743 83 1HD1 ILE 10 1HD1 ILE 10 -8.878 5.612 4.310 84 2HD1 ILE 10 2HD1 ILE 10 -10.350 6.088 3.430 85 3HD1 ILE 10 3HD1 ILE 10 -10.276 4.511 4.249 86 H ALA 11 H ALA 11 -5.550 2.672 3.255 87 HA ALA 11 HA ALA 11 -3.094 3.683 2.113 88 1HB ALA 11 1HB ALA 11 -3.686 3.760 4.576 89 2HB ALA 11 2HB ALA 11 -3.525 1.988 4.601 90 3HB ALA 11 3HB ALA 11 -2.117 3.001 4.209 91 H HIS 12 H HIS 12 -2.170 0.940 3.680 92 HA HIS 12 HA HIS 12 -1.170 -0.881 2.933 93 2HB HIS 12 2HB HIS 12 -3.055 -2.116 1.292 94 HD1 HIS 12 1HD HIS 12 -1.212 -1.886 4.358 95 HD2 HIS 12 2HD HIS 12 -4.630 -3.983 3.132 96 HE1 HIS 12 1HE HIS 12 -1.504 -3.806 6.013 97 H GLY 13 H GLY 13 0.565 -0.733 1.604 98 1HA GLY 13 1HA GLY 13 1.503 -1.121 -0.508 99 2HA GLY 13 2HA GLY 13 0.052 -0.515 -1.278 100 H VAL 14 H VAL 14 0.497 1.603 1.237 101 HA VAL 14 HA VAL 14 2.450 3.242 -0.195 102 HB VAL 14 HB VAL 14 -0.129 3.666 -0.642 103 1HG1 VAL 14 1HG1 VAL 14 0.401 5.222 1.912 104 2HG1 VAL 14 2HG1 VAL 14 -1.001 5.447 0.838 105 3HG1 VAL 14 3HG1 VAL 14 -0.776 3.905 1.696 106 1HG2 VAL 14 1HG2 VAL 14 2.231 5.098 -0.980 107 2HG2 VAL 14 2HG2 VAL 14 0.648 5.478 -1.703 108 3HG2 VAL 14 3HG2 VAL 14 1.139 6.257 -0.181 109 H LYS 15 H LYS 15 0.464 2.629 2.752 110 HA LYS 15 HA LYS 15 2.024 4.355 4.375 111 2HB LYS 15 2HB LYS 15 0.776 2.668 6.120 112 2HG LYS 15 2HG LYS 15 -0.799 4.798 4.644 113 2HD LYS 15 2HD LYS 15 -1.614 3.500 6.752 114 2HE LYS 15 2HE LYS 15 -0.356 5.394 8.559 115 1HZ LYS 15 1HZ LYS 15 0.362 3.148 9.476 116 2HZ LYS 15 2HZ LYS 15 -1.237 3.480 9.432 117 3HZ LYS 15 3HZ LYS 15 -0.577 2.496 8.309 118 H LYS 16 H LYS 16 2.167 0.925 3.407 119 HA LYS 16 HA LYS 16 4.510 0.627 5.148 120 2HB LYS 16 2HB LYS 16 3.542 -1.269 5.786 121 2HG LYS 16 2HG LYS 16 1.429 -2.115 4.673 122 2HD LYS 16 2HD LYS 16 0.517 0.582 4.867 123 2HE LYS 16 2HE LYS 16 0.684 -0.978 7.391 124 1HZ LYS 16 1HZ LYS 16 -1.150 0.209 7.529 125 2HZ LYS 16 2HZ LYS 16 -1.129 0.615 5.948 126 3HZ LYS 16 3HZ LYS 16 -1.852 -0.768 6.425 127 H TYR 17 H TYR 17 3.236 0.471 1.819 128 HA TYR 17 HA TYR 17 5.766 -0.473 0.792 129 2HB TYR 17 2HB TYR 17 4.232 0.301 -1.353 130 HD1 TYR 17 1HD TYR 17 4.316 -1.593 -2.674 131 HD2 TYR 17 2HD TYR 17 3.246 -2.015 1.445 132 HE1 TYR 17 1HE TYR 17 4.074 -4.105 -2.989 133 HE2 TYR 17 2HE TYR 17 3.007 -4.525 1.118 134 HH TYR 17 HH TYR 17 2.734 -6.113 -0.470 135 H GLY 18 H GLY 18 3.785 2.555 0.788 136 1HA GLY 18 1HA GLY 18 5.181 4.138 -0.915 137 2HA GLY 18 2HA GLY 18 4.436 4.704 0.565 138 HA PRO 19 HA PRO 19 8.346 4.882 2.551 139 2HB PRO 19 2HB PRO 19 7.631 4.556 4.717 140 2HG PRO 19 2HG PRO 19 5.766 3.217 4.923 141 2HD PRO 19 2HD PRO 19 4.831 3.494 2.840 142 H THR 20 H THR 20 8.157 1.359 2.789 143 HA THR 20 HA THR 20 10.595 0.547 2.565 144 HB THR 20 HB THR 20 8.945 -0.557 0.334 145 HG1 THR 20 1HG THR 20 7.252 0.200 1.710 146 1HG2 THR 20 1HG2 THR 20 9.027 -2.426 2.364 147 2HG2 THR 20 2HG2 THR 20 10.286 -2.274 1.113 148 3HG2 THR 20 3HG2 THR 20 10.508 -1.500 2.700 149 H VAL 21 H VAL 21 8.943 1.634 -0.482 150 HA VAL 21 HA VAL 21 10.827 1.478 -2.281 151 HB VAL 21 HB VAL 21 9.390 2.762 -3.347 152 1HG1 VAL 21 1HG1 VAL 21 7.619 4.065 -1.970 153 2HG1 VAL 21 2HG1 VAL 21 7.657 2.288 -1.854 154 3HG1 VAL 21 3HG1 VAL 21 8.367 3.280 -0.557 155 1HG2 VAL 21 1HG2 VAL 21 10.019 5.146 -1.593 156 2HG2 VAL 21 2HG2 VAL 21 11.143 4.555 -2.839 157 3HG2 VAL 21 3HG2 VAL 21 9.520 5.123 -3.300 158 H LEU 22 H LEU 22 12.984 1.396 -1.629 159 HA LEU 22 HA LEU 22 14.128 4.009 -1.037 160 2HB LEU 22 2HB LEU 22 15.668 2.662 0.599 161 HG LEU 22 HG LEU 22 13.060 3.963 1.118 162 1HD1 LEU 22 1HD1 LEU 22 13.796 1.637 2.628 163 2HD1 LEU 22 2HD1 LEU 22 13.908 3.078 3.664 164 3HD1 LEU 22 3HD1 LEU 22 12.389 2.709 2.818 165 1HD2 LEU 22 1HD2 LEU 22 15.908 4.376 1.659 166 2HD2 LEU 22 2HD2 LEU 22 14.584 5.552 1.485 167 3HD2 LEU 22 3HD2 LEU 22 14.859 4.746 3.049 168 H ARG 23 H ARG 23 15.784 4.420 -2.402 169 HA ARG 23 HA ARG 23 17.196 4.123 -4.020 170 2HB ARG 23 2HB ARG 23 18.787 1.989 -3.603 171 2HG ARG 23 2HG ARG 23 19.671 3.375 -1.484 172 2HD ARG 23 2HD ARG 23 20.553 5.138 -3.149 173 HE ARG 23 HE ARG 23 21.011 2.246 -3.266 174 1HH1 ARG 23 1HH1 ARG 23 24.147 2.617 -4.751 175 2HH1 ARG 23 2HH1 ARG 23 23.065 1.522 -3.959 176 1HH2 ARG 23 1HH2 ARG 23 23.511 4.820 -5.110 177 2HH2 ARG 23 2HH2 ARG 23 21.953 5.368 -4.585 178 H ILE 24 H ILE 24 14.524 2.418 -3.945 179 HA ILE 24 HA ILE 24 15.298 0.665 -6.172 180 HB ILE 24 HB ILE 24 13.197 -0.641 -5.372 181 2HG1 ILE 24 2HG1 ILE 24 13.014 1.304 -3.502 182 1HG2 ILE 24 1HG2 ILE 24 15.797 -0.833 -3.829 183 2HG2 ILE 24 2HG2 ILE 24 14.603 -2.126 -4.089 184 3HG2 ILE 24 3HG2 ILE 24 15.526 -1.476 -5.466 185 1HD1 ILE 24 1HD1 ILE 24 11.305 -0.418 -3.950 186 2HD1 ILE 24 2HD1 ILE 24 12.316 -1.650 -3.157 187 3HD1 ILE 24 3HD1 ILE 24 11.623 -0.318 -2.203 188 H ILE 25 H ILE 25 12.534 2.446 -4.626 189 HA ILE 25 HA ILE 25 11.576 2.979 -7.351 190 HB ILE 25 HB ILE 25 9.713 3.439 -5.144 191 2HG1 ILE 25 2HG1 ILE 25 10.658 1.592 -4.039 192 1HG2 ILE 25 1HG2 ILE 25 8.177 2.897 -6.700 193 2HG2 ILE 25 2HG2 ILE 25 9.526 3.175 -7.829 194 3HG2 ILE 25 3HG2 ILE 25 9.121 1.519 -7.318 195 1HD1 ILE 25 1HD1 ILE 25 8.900 0.041 -4.031 196 2HD1 ILE 25 2HD1 ILE 25 8.114 1.454 -4.773 197 3HD1 ILE 25 3HD1 ILE 25 8.691 0.115 -5.797 198 H ARG 26 H ARG 26 12.423 4.328 -4.147 199 HA ARG 26 HA ARG 26 12.538 6.381 -3.419 200 2HB ARG 26 2HB ARG 26 14.376 7.401 -4.353 201 2HG ARG 26 2HG ARG 26 14.498 5.571 -6.695 202 2HD ARG 26 2HD ARG 26 16.696 5.033 -5.709 203 HE ARG 26 HE ARG 26 16.051 7.566 -6.599 204 1HH1 ARG 26 1HH1 ARG 26 18.919 9.381 -5.791 205 2HH1 ARG 26 2HH1 ARG 26 17.510 9.314 -6.793 206 1HH2 ARG 26 1HH2 ARG 26 19.328 7.692 -4.250 207 2HH2 ARG 26 2HH2 ARG 26 18.223 6.368 -4.103 208 H ILE 27 H ILE 27 10.095 5.666 -5.218 209 HA ILE 27 HA ILE 27 9.324 8.444 -5.782 210 HB ILE 27 HB ILE 27 8.514 5.939 -7.262 211 2HG1 ILE 27 2HG1 ILE 27 10.844 7.467 -7.518 212 1HG2 ILE 27 1HG2 ILE 27 6.710 7.644 -7.050 213 2HG2 ILE 27 2HG2 ILE 27 7.779 8.814 -7.858 214 3HG2 ILE 27 3HG2 ILE 27 7.241 7.356 -8.724 215 1HD1 ILE 27 1HD1 ILE 27 11.364 5.855 -9.080 216 2HD1 ILE 27 2HD1 ILE 27 9.917 5.070 -8.402 217 3HD1 ILE 27 3HD1 ILE 27 9.796 6.007 -9.910 218 H ALA 28 H ALA 28 8.155 5.126 -4.903 219 HA ALA 28 HA ALA 28 6.577 4.463 -3.501 220 1HB ALA 28 1HB ALA 28 7.789 6.046 -1.949 221 2HB ALA 28 2HB ALA 28 6.592 7.291 -2.382 222 3HB ALA 28 3HB ALA 28 6.068 5.805 -1.557 223 H GLY 29 H GLY 29 5.917 5.431 -6.150 224 1HA GLY 29 1HA GLY 29 4.215 6.359 -7.364 225 2HA GLY 29 2HA GLY 29 3.301 5.235 -6.380 Start of MODEL 26 1 H ARG 1 H ARG 1 -14.610 -4.886 11.677 2 HA ARG 1 HA ARG 1 -15.449 -4.882 9.553 3 2HB ARG 1 2HB ARG 1 -14.071 -3.057 8.352 4 2HG ARG 1 2HG ARG 1 -15.689 -2.901 10.605 5 2HD ARG 1 2HD ARG 1 -13.260 -1.162 11.193 6 HE ARG 1 HE ARG 1 -15.793 -1.025 12.211 7 1HH1 ARG 1 1HH1 ARG 1 -15.285 -0.695 15.648 8 2HH1 ARG 1 2HH1 ARG 1 -16.385 -0.430 14.336 9 1HH2 ARG 1 1HH2 ARG 1 -13.209 -1.654 15.245 10 2HH2 ARG 1 2HH2 ARG 1 -12.761 -2.104 13.633 11 H GLY 2 H GLY 2 -14.791 -4.807 7.055 12 1HA GLY 2 1HA GLY 2 -12.861 -7.005 6.608 13 2HA GLY 2 2HA GLY 2 -14.316 -6.734 5.670 14 H LEU 3 H LEU 3 -14.130 -5.606 3.777 15 HA LEU 3 HA LEU 3 -11.794 -3.842 3.531 16 2HB LEU 3 2HB LEU 3 -11.125 -5.591 2.226 17 HG LEU 3 HG LEU 3 -12.506 -6.833 0.609 18 1HD1 LEU 3 1HD1 LEU 3 -14.091 -7.457 2.955 19 2HD1 LEU 3 2HD1 LEU 3 -12.808 -8.399 2.156 20 3HD1 LEU 3 3HD1 LEU 3 -12.384 -7.177 3.378 21 1HD2 LEU 3 1HD2 LEU 3 -14.798 -6.603 0.355 22 2HD2 LEU 3 2HD2 LEU 3 -14.993 -5.741 1.900 23 3HD2 LEU 3 3HD2 LEU 3 -14.248 -4.917 0.509 24 H ARG 4 H ARG 4 -12.280 -1.769 3.025 25 HA ARG 4 HA ARG 4 -14.300 -1.112 1.252 26 2HB ARG 4 2HB ARG 4 -15.966 -1.584 2.903 27 2HG ARG 4 2HG ARG 4 -14.606 0.096 5.013 28 2HD ARG 4 2HD ARG 4 -15.718 -1.874 6.383 29 HE ARG 4 HE ARG 4 -16.673 0.635 5.673 30 1HH1 ARG 4 1HH1 ARG 4 -19.959 0.465 6.838 31 2HH1 ARG 4 2HH1 ARG 4 -18.661 1.515 6.377 32 1HH2 ARG 4 1HH2 ARG 4 -19.678 -1.837 6.741 33 2HH2 ARG 4 2HH2 ARG 4 -18.171 -2.505 6.209 34 H ARG 5 H ARG 5 -12.763 0.046 4.345 35 HA ARG 5 HA ARG 5 -11.139 1.852 3.005 36 2HB ARG 5 2HB ARG 5 -12.681 3.709 4.571 37 2HG ARG 5 2HG ARG 5 -12.297 3.309 1.572 38 2HD ARG 5 2HD ARG 5 -13.035 5.695 1.372 39 HE ARG 5 HE ARG 5 -14.745 3.520 1.639 40 1HH1 ARG 5 1HH1 ARG 5 -17.855 5.103 1.579 41 2HH1 ARG 5 2HH1 ARG 5 -17.010 3.610 1.345 42 1HH2 ARG 5 1HH2 ARG 5 -16.688 7.013 2.192 43 2HH2 ARG 5 2HH2 ARG 5 -14.971 6.946 2.415 44 H LEU 6 H LEU 6 -12.931 0.904 5.964 45 HA LEU 6 HA LEU 6 -11.038 2.107 7.734 46 2HB LEU 6 2HB LEU 6 -12.313 0.806 9.449 47 HG LEU 6 HG LEU 6 -13.744 2.663 7.569 48 1HD1 LEU 6 1HD1 LEU 6 -15.792 2.508 8.649 49 2HD1 LEU 6 2HD1 LEU 6 -15.293 0.806 8.503 50 3HD1 LEU 6 3HD1 LEU 6 -15.107 1.658 10.055 51 1HD2 LEU 6 1HD2 LEU 6 -13.739 3.363 10.375 52 2HD2 LEU 6 2HD2 LEU 6 -12.091 2.996 9.807 53 3HD2 LEU 6 3HD2 LEU 6 -13.063 4.236 8.979 54 H GLY 7 H GLY 7 -11.848 -1.303 6.776 55 1HA GLY 7 1HA GLY 7 -10.015 -2.701 8.186 56 2HA GLY 7 2HA GLY 7 -10.483 -3.090 6.542 57 H ARG 8 H ARG 8 -9.102 -2.585 4.781 58 HA ARG 8 HA ARG 8 -6.768 -1.032 5.345 59 2HB ARG 8 2HB ARG 8 -5.739 -3.051 6.000 60 2HG ARG 8 2HG ARG 8 -7.415 -4.405 3.837 61 2HD ARG 8 2HD ARG 8 -4.969 -5.280 5.307 62 HE ARG 8 HE ARG 8 -7.306 -6.601 6.035 63 1HH1 ARG 8 1HH1 ARG 8 -6.216 -9.915 6.044 64 2HH1 ARG 8 2HH1 ARG 8 -7.413 -8.807 6.625 65 1HH2 ARG 8 1HH2 ARG 8 -4.505 -9.163 4.669 66 2HH2 ARG 8 2HH2 ARG 8 -4.425 -7.490 4.223 67 H LYS 9 H LYS 9 -8.073 0.241 3.715 68 HA LYS 9 HA LYS 9 -7.486 -0.740 1.014 69 2HB LYS 9 2HB LYS 9 -10.051 0.612 1.904 70 2HG LYS 9 2HG LYS 9 -8.806 0.690 -0.607 71 2HD LYS 9 2HD LYS 9 -10.732 -1.648 -0.395 72 2HE LYS 9 2HE LYS 9 -10.832 0.426 -2.397 73 1HZ LYS 9 1HZ LYS 9 -9.278 -1.837 -3.116 74 2HZ LYS 9 2HZ LYS 9 -10.571 -1.641 -4.094 75 3HZ LYS 9 3HZ LYS 9 -9.493 -0.428 -3.914 76 H ILE 10 H ILE 10 -8.181 2.045 3.202 77 HA ILE 10 HA ILE 10 -7.548 4.072 1.450 78 HB ILE 10 HB ILE 10 -7.065 3.941 4.429 79 2HG1 ILE 10 2HG1 ILE 10 -9.395 3.334 3.566 80 1HG2 ILE 10 1HG2 ILE 10 -6.810 6.093 2.426 81 2HG2 ILE 10 2HG2 ILE 10 -7.743 6.515 3.881 82 3HG2 ILE 10 3HG2 ILE 10 -6.073 5.919 4.035 83 1HD1 ILE 10 1HD1 ILE 10 -10.502 4.732 5.276 84 2HD1 ILE 10 2HD1 ILE 10 -8.942 4.133 5.887 85 3HD1 ILE 10 3HD1 ILE 10 -9.089 5.814 5.324 86 H ALA 11 H ALA 11 -5.348 2.422 3.829 87 HA ALA 11 HA ALA 11 -3.076 3.622 2.506 88 1HB ALA 11 1HB ALA 11 -3.197 1.652 4.821 89 2HB ALA 11 2HB ALA 11 -1.817 2.669 4.348 90 3HB ALA 11 3HB ALA 11 -3.292 3.420 5.003 91 H HIS 12 H HIS 12 -1.931 0.733 3.588 92 HA HIS 12 HA HIS 12 -1.025 -0.956 2.491 93 2HB HIS 12 2HB HIS 12 -3.110 -2.038 0.990 94 HD1 HIS 12 1HD HIS 12 -0.857 -2.123 3.779 95 HD2 HIS 12 2HD HIS 12 -4.394 -4.148 2.790 96 HE1 HIS 12 1HE HIS 12 -0.897 -4.232 5.214 97 H GLY 13 H GLY 13 0.506 -0.595 0.966 98 1HA GLY 13 1HA GLY 13 1.142 -0.710 -1.288 99 2HA GLY 13 2HA GLY 13 -0.410 -0.052 -1.771 100 H VAL 14 H VAL 14 0.369 1.759 0.901 101 HA VAL 14 HA VAL 14 2.094 3.604 -0.574 102 HB VAL 14 HB VAL 14 -0.520 4.020 -0.634 103 1HG1 VAL 14 1HG1 VAL 14 0.296 5.310 1.992 104 2HG1 VAL 14 2HG1 VAL 14 -1.257 5.531 1.151 105 3HG1 VAL 14 3HG1 VAL 14 -0.819 3.934 1.806 106 1HG2 VAL 14 1HG2 VAL 14 1.005 6.489 0.037 107 2HG2 VAL 14 2HG2 VAL 14 1.643 5.476 -1.280 108 3HG2 VAL 14 3HG2 VAL 14 -0.016 6.114 -1.374 109 H LYS 15 H LYS 15 0.533 2.586 2.513 110 HA LYS 15 HA LYS 15 2.274 4.153 4.111 111 2HB LYS 15 2HB LYS 15 1.303 2.292 5.820 112 2HG LYS 15 2HG LYS 15 -0.619 4.366 4.759 113 2HD LYS 15 2HD LYS 15 0.038 3.032 7.321 114 2HE LYS 15 2HE LYS 15 -0.992 5.795 7.738 115 1HZ LYS 15 1HZ LYS 15 0.453 5.546 9.645 116 2HZ LYS 15 2HZ LYS 15 -0.554 4.268 9.516 117 3HZ LYS 15 3HZ LYS 15 1.013 4.119 9.083 118 H LYS 16 H LYS 16 2.337 0.882 2.703 119 HA LYS 16 HA LYS 16 4.892 0.439 4.076 120 2HB LYS 16 2HB LYS 16 4.045 -1.549 4.600 121 2HG LYS 16 2HG LYS 16 1.807 -2.312 3.691 122 2HD LYS 16 2HD LYS 16 0.894 0.307 4.346 123 2HE LYS 16 2HE LYS 16 0.621 -2.303 5.303 124 1HZ LYS 16 1HZ LYS 16 2.510 -1.054 6.872 125 2HZ LYS 16 2HZ LYS 16 1.137 -1.092 7.755 126 3HZ LYS 16 3HZ LYS 16 1.762 -2.477 7.157 127 H TYR 17 H TYR 17 3.177 0.638 0.952 128 HA TYR 17 HA TYR 17 5.542 -0.120 -0.516 129 2HB TYR 17 2HB TYR 17 3.740 0.909 -2.317 130 HD1 TYR 17 1HD TYR 17 3.544 -1.806 0.264 131 HD2 TYR 17 2HD TYR 17 3.200 -0.746 -3.867 132 HE1 TYR 17 1HE TYR 17 3.237 -4.254 -0.346 133 HE2 TYR 17 2HE TYR 17 2.895 -3.198 -4.463 134 HH TYR 17 HH TYR 17 1.984 -5.437 -2.464 135 H GLY 18 H GLY 18 3.601 2.863 0.131 136 1HA GLY 18 1HA GLY 18 4.839 4.646 -1.536 137 2HA GLY 18 2HA GLY 18 4.191 5.034 0.045 138 HA PRO 19 HA PRO 19 8.212 5.223 1.739 139 2HB PRO 19 2HB PRO 19 7.568 5.047 3.942 140 2HG PRO 19 2HG PRO 19 5.647 3.819 4.289 141 2HD PRO 19 2HD PRO 19 4.644 4.040 2.231 142 H THR 20 H THR 20 7.405 1.877 1.159 143 HA THR 20 HA THR 20 8.820 0.130 0.776 144 HB THR 20 HB THR 20 8.159 0.884 -1.429 145 HG1 THR 20 1HG THR 20 10.204 -0.482 -1.072 146 1HG2 THR 20 1HG2 THR 20 10.480 2.876 -1.271 147 2HG2 THR 20 2HG2 THR 20 9.379 2.641 -2.651 148 3HG2 THR 20 3HG2 THR 20 8.765 3.330 -1.131 149 H VAL 21 H VAL 21 9.922 1.754 2.864 150 HA VAL 21 HA VAL 21 12.413 2.683 2.642 151 HB VAL 21 HB VAL 21 11.956 2.745 4.806 152 1HG1 VAL 21 1HG1 VAL 21 10.403 0.955 5.885 153 2HG1 VAL 21 2HG1 VAL 21 9.718 2.103 4.709 154 3HG1 VAL 21 3HG1 VAL 21 10.108 0.440 4.205 155 1HG2 VAL 21 1HG2 VAL 21 13.813 0.905 4.575 156 2HG2 VAL 21 2HG2 VAL 21 13.045 1.205 6.153 157 3HG2 VAL 21 3HG2 VAL 21 12.535 -0.184 5.166 158 H LEU 22 H LEU 22 11.362 -0.658 2.123 159 HA LEU 22 HA LEU 22 13.893 -1.856 2.347 160 2HB LEU 22 2HB LEU 22 12.176 -3.189 0.462 161 HG LEU 22 HG LEU 22 11.989 -4.916 2.153 162 1HD1 LEU 22 1HD1 LEU 22 13.989 -4.998 0.854 163 2HD1 LEU 22 2HD1 LEU 22 14.770 -3.755 1.862 164 3HD1 LEU 22 3HD1 LEU 22 14.427 -5.365 2.539 165 1HD2 LEU 22 1HD2 LEU 22 13.253 -2.894 4.018 166 2HD2 LEU 22 2HD2 LEU 22 11.641 -3.638 4.147 167 3HD2 LEU 22 3HD2 LEU 22 13.102 -4.631 4.375 168 H ARG 23 H ARG 23 13.417 0.726 0.608 169 HA ARG 23 HA ARG 23 15.122 -0.256 -1.508 170 2HB ARG 23 2HB ARG 23 12.573 0.038 -2.186 171 2HG ARG 23 2HG ARG 23 13.614 2.906 -2.355 172 2HD ARG 23 2HD ARG 23 11.202 3.336 -3.070 173 HE ARG 23 HE ARG 23 13.255 2.073 -4.720 174 1HH1 ARG 23 1HH1 ARG 23 11.861 3.224 -7.705 175 2HH1 ARG 23 2HH1 ARG 23 13.256 2.517 -6.963 176 1HH2 ARG 23 1HH2 ARG 23 9.990 3.722 -6.423 177 2HH2 ARG 23 2HH2 ARG 23 9.991 3.385 -4.725 178 H ILE 24 H ILE 24 14.785 1.678 1.093 179 HA ILE 24 HA ILE 24 16.626 3.651 0.012 180 HB ILE 24 HB ILE 24 15.377 5.453 1.232 181 2HG1 ILE 24 2HG1 ILE 24 13.951 3.620 2.459 182 1HG2 ILE 24 1HG2 ILE 24 14.440 6.088 -0.713 183 2HG2 ILE 24 2HG2 ILE 24 15.242 4.631 -1.349 184 3HG2 ILE 24 3HG2 ILE 24 13.521 4.573 -0.894 185 1HD1 ILE 24 1HD1 ILE 24 12.919 5.464 3.269 186 2HD1 ILE 24 2HD1 ILE 24 13.652 6.402 1.946 187 3HD1 ILE 24 3HD1 ILE 24 12.037 5.685 1.737 188 H ILE 25 H ILE 25 14.942 2.151 2.819 189 HA ILE 25 HA ILE 25 17.313 2.795 4.427 190 HB ILE 25 HB ILE 25 14.979 1.771 5.841 191 2HG1 ILE 25 2HG1 ILE 25 13.696 2.878 4.128 192 1HG2 ILE 25 1HG2 ILE 25 17.235 3.267 6.396 193 2HG2 ILE 25 2HG2 ILE 25 15.921 4.465 6.463 194 3HG2 ILE 25 3HG2 ILE 25 15.848 3.006 7.480 195 1HD1 ILE 25 1HD1 ILE 25 12.529 4.549 5.458 196 2HD1 ILE 25 2HD1 ILE 25 13.055 3.248 6.554 197 3HD1 ILE 25 3HD1 ILE 25 13.955 4.783 6.497 198 H ARG 26 H ARG 26 15.334 0.255 2.980 199 HA ARG 26 HA ARG 26 15.408 -1.920 3.088 200 2HB ARG 26 2HB ARG 26 17.385 -2.765 2.192 201 2HG ARG 26 2HG ARG 26 18.842 -0.287 1.978 202 2HD ARG 26 2HD ARG 26 17.709 -0.393 -0.382 203 HE ARG 26 HE ARG 26 19.102 -2.919 -0.068 204 1HH1 ARG 26 1HH1 ARG 26 22.273 -1.551 -0.570 205 2HH1 ARG 26 2HH1 ARG 26 21.343 -3.011 -0.508 206 1HH2 ARG 26 1HH2 ARG 26 21.244 0.498 -0.209 207 2HH2 ARG 26 2HH2 ARG 26 19.545 0.566 0.123 208 H ILE 27 H ILE 27 15.535 -0.388 5.773 209 HA ILE 27 HA ILE 27 16.569 -2.627 7.372 210 HB ILE 27 HB ILE 27 16.526 0.315 8.049 211 2HG1 ILE 27 2HG1 ILE 27 18.371 -1.133 6.517 212 1HG2 ILE 27 1HG2 ILE 27 17.069 -0.151 10.189 213 2HG2 ILE 27 2HG2 ILE 27 16.209 -1.671 9.848 214 3HG2 ILE 27 3HG2 ILE 27 17.985 -1.613 9.758 215 1HD1 ILE 27 1HD1 ILE 27 19.253 1.295 8.052 216 2HD1 ILE 27 2HD1 ILE 27 19.389 0.939 6.313 217 3HD1 ILE 27 3HD1 ILE 27 17.831 1.463 6.994 218 H ALA 28 H ALA 28 14.176 0.100 7.269 219 HA ALA 28 HA ALA 28 12.076 0.222 7.953 220 1HB ALA 28 1HB ALA 28 10.677 -1.653 7.671 221 2HB ALA 28 2HB ALA 28 12.040 -1.984 6.576 222 3HB ALA 28 3HB ALA 28 11.952 -2.795 8.158 223 H GLY 29 H GLY 29 14.261 0.351 9.855 224 1HA GLY 29 1HA GLY 29 13.098 -0.937 12.238 225 2HA GLY 29 2HA GLY 29 14.745 -0.369 12.064 Start of MODEL 27 1 H ARG 1 H ARG 1 -11.375 3.287 11.698 2 HA ARG 1 HA ARG 1 -11.007 1.114 10.147 3 2HB ARG 1 2HB ARG 1 -10.770 1.086 12.604 4 2HG ARG 1 2HG ARG 1 -13.710 0.764 13.052 5 2HD ARG 1 2HD ARG 1 -11.464 2.221 14.528 6 HE ARG 1 HE ARG 1 -13.932 1.573 15.950 7 1HH1 ARG 1 1HH1 ARG 1 -14.936 4.909 16.160 8 2HH1 ARG 1 2HH1 ARG 1 -15.205 3.298 16.742 9 1HH2 ARG 1 1HH2 ARG 1 -13.287 5.311 14.577 10 2HH2 ARG 1 2HH2 ARG 1 -12.324 4.004 13.977 11 H GLY 2 H GLY 2 -12.805 -0.882 10.341 12 1HA GLY 2 1HA GLY 2 -15.193 -1.283 10.187 13 2HA GLY 2 2HA GLY 2 -15.343 0.206 9.279 14 H LEU 3 H LEU 3 -12.518 -0.663 8.046 15 HA LEU 3 HA LEU 3 -11.877 -1.526 6.116 16 2HB LEU 3 2HB LEU 3 -13.445 -3.933 6.042 17 HG LEU 3 HG LEU 3 -11.394 -5.090 6.389 18 1HD1 LEU 3 1HD1 LEU 3 -10.736 -2.591 4.806 19 2HD1 LEU 3 2HD1 LEU 3 -9.981 -4.195 4.648 20 3HD1 LEU 3 3HD1 LEU 3 -11.689 -3.967 4.200 21 1HD2 LEU 3 1HD2 LEU 3 -9.805 -4.430 7.788 22 2HD2 LEU 3 2HD2 LEU 3 -9.529 -2.940 6.855 23 3HD2 LEU 3 3HD2 LEU 3 -10.770 -2.975 8.132 24 H ARG 4 H ARG 4 -14.123 0.328 6.100 25 HA ARG 4 HA ARG 4 -15.649 -0.759 3.880 26 2HB ARG 4 2HB ARG 4 -17.161 1.288 4.370 27 2HG ARG 4 2HG ARG 4 -16.793 -1.177 5.971 28 2HD ARG 4 2HD ARG 4 -17.542 1.312 7.327 29 HE ARG 4 HE ARG 4 -19.563 -0.563 8.120 30 1HH1 ARG 4 1HH1 ARG 4 -22.185 0.946 6.381 31 2HH1 ARG 4 2HH1 ARG 4 -21.761 -0.168 7.639 32 1HH2 ARG 4 1HH2 ARG 4 -20.520 2.035 5.186 33 2HH2 ARG 4 2HH2 ARG 4 -18.854 1.735 5.553 34 H ARG 5 H ARG 5 -13.622 1.982 5.025 35 HA ARG 5 HA ARG 5 -12.621 2.459 2.502 36 2HB ARG 5 2HB ARG 5 -13.702 4.974 2.569 37 2HG ARG 5 2HG ARG 5 -15.560 3.050 1.297 38 2HD ARG 5 2HD ARG 5 -13.919 4.458 -0.580 39 HE ARG 5 HE ARG 5 -16.627 4.147 -0.130 40 1HH1 ARG 5 1HH1 ARG 5 -17.953 6.956 -1.721 41 2HH1 ARG 5 2HH1 ARG 5 -18.281 5.358 -1.137 42 1HH2 ARG 5 1HH2 ARG 5 -15.831 7.867 -1.477 43 2HH2 ARG 5 2HH2 ARG 5 -14.576 6.947 -0.712 44 H LEU 6 H LEU 6 -13.487 3.678 5.756 45 HA LEU 6 HA LEU 6 -11.346 5.569 5.834 46 2HB LEU 6 2HB LEU 6 -12.004 5.723 8.240 47 HG LEU 6 HG LEU 6 -14.051 6.109 6.076 48 1HD1 LEU 6 1HD1 LEU 6 -15.683 5.785 7.586 49 2HD1 LEU 6 2HD1 LEU 6 -14.584 5.952 8.976 50 3HD1 LEU 6 3HD1 LEU 6 -15.214 7.403 8.158 51 1HD2 LEU 6 1HD2 LEU 6 -12.457 7.803 6.024 52 2HD2 LEU 6 2HD2 LEU 6 -13.779 8.514 6.983 53 3HD2 LEU 6 3HD2 LEU 6 -12.330 7.878 7.798 54 H GLY 7 H GLY 7 -12.012 2.343 7.356 55 1HA GLY 7 1HA GLY 7 -9.772 1.967 8.825 56 2HA GLY 7 2HA GLY 7 -10.570 0.698 7.920 57 H ARG 8 H ARG 8 -9.634 -0.133 6.029 58 HA ARG 8 HA ARG 8 -7.200 1.222 5.192 59 2HB ARG 8 2HB ARG 8 -6.444 -1.278 4.654 60 2HG ARG 8 2HG ARG 8 -6.222 0.420 7.045 61 2HD ARG 8 2HD ARG 8 -5.083 -1.677 8.252 62 HE ARG 8 HE ARG 8 -7.808 -0.602 8.450 63 1HH1 ARG 8 1HH1 ARG 8 -8.164 -1.665 11.756 64 2HH1 ARG 8 2HH1 ARG 8 -8.825 -0.677 10.495 65 1HH2 ARG 8 1HH2 ARG 8 -6.244 -2.909 11.366 66 2HH2 ARG 8 2HH2 ARG 8 -5.473 -2.853 9.817 67 H LYS 9 H LYS 9 -8.403 2.159 3.403 68 HA LYS 9 HA LYS 9 -9.103 0.167 1.363 69 2HB LYS 9 2HB LYS 9 -10.659 2.559 2.313 70 2HG LYS 9 2HG LYS 9 -11.864 1.517 -0.045 71 2HD LYS 9 2HD LYS 9 -10.500 4.131 0.694 72 2HE LYS 9 2HE LYS 9 -12.155 3.723 -1.827 73 1HZ LYS 9 1HZ LYS 9 -10.126 5.750 -1.395 74 2HZ LYS 9 2HZ LYS 9 -11.506 5.833 -2.264 75 3HZ LYS 9 3HZ LYS 9 -11.560 5.928 -0.635 76 H ILE 10 H ILE 10 -8.131 3.580 2.080 77 HA ILE 10 HA ILE 10 -7.508 4.434 -0.408 78 HB ILE 10 HB ILE 10 -5.956 4.908 2.139 79 2HG1 ILE 10 2HG1 ILE 10 -8.490 5.324 2.123 80 1HG2 ILE 10 1HG2 ILE 10 -5.042 6.841 1.161 81 2HG2 ILE 10 2HG2 ILE 10 -4.838 5.559 -0.056 82 3HG2 ILE 10 3HG2 ILE 10 -6.141 6.761 -0.237 83 1HD1 ILE 10 1HD1 ILE 10 -7.071 6.340 3.827 84 2HD1 ILE 10 2HD1 ILE 10 -6.489 7.562 2.670 85 3HD1 ILE 10 3HD1 ILE 10 -8.184 7.588 3.214 86 H ALA 11 H ALA 11 -5.366 2.497 1.788 87 HA ALA 11 HA ALA 11 -4.263 1.121 -0.438 88 1HB ALA 11 1HB ALA 11 -2.717 3.371 0.866 89 2HB ALA 11 2HB ALA 11 -1.877 1.975 0.148 90 3HB ALA 11 3HB ALA 11 -2.915 3.005 -0.865 91 H HIS 12 H HIS 12 -2.212 -0.202 0.488 92 HA HIS 12 HA HIS 12 -2.552 -0.724 3.310 93 2HB HIS 12 2HB HIS 12 -4.164 -2.153 1.778 94 HD1 HIS 12 1HD HIS 12 -0.624 -2.674 1.050 95 HD2 HIS 12 2HD HIS 12 -4.092 -5.034 1.024 96 HE1 HIS 12 1HE HIS 12 -0.080 -4.730 -0.361 97 H GLY 13 H GLY 13 -0.956 -1.476 0.167 98 1HA GLY 13 1HA GLY 13 1.392 -2.554 1.446 99 2HA GLY 13 2HA GLY 13 1.135 -2.265 -0.263 100 H VAL 14 H VAL 14 0.153 0.616 0.654 101 HA VAL 14 HA VAL 14 2.603 1.885 0.092 102 HB VAL 14 HB VAL 14 0.161 2.610 -0.319 103 1HG1 VAL 14 1HG1 VAL 14 0.567 3.619 2.515 104 2HG1 VAL 14 2HG1 VAL 14 -0.705 4.194 1.409 105 3HG1 VAL 14 3HG1 VAL 14 -0.687 2.495 1.938 106 1HG2 VAL 14 1HG2 VAL 14 2.166 4.643 0.717 107 2HG2 VAL 14 2HG2 VAL 14 2.166 3.929 -0.913 108 3HG2 VAL 14 3HG2 VAL 14 0.811 4.959 -0.394 109 H LYS 15 H LYS 15 0.919 0.923 3.075 110 HA LYS 15 HA LYS 15 2.313 2.596 4.831 111 2HB LYS 15 2HB LYS 15 1.679 0.211 6.189 112 2HG LYS 15 2HG LYS 15 -0.088 2.658 5.724 113 2HD LYS 15 2HD LYS 15 0.090 1.549 8.433 114 2HE LYS 15 2HE LYS 15 -1.727 3.012 6.978 115 1HZ LYS 15 1HZ LYS 15 -3.633 1.560 6.756 116 2HZ LYS 15 2HZ LYS 15 -2.432 1.088 5.756 117 3HZ LYS 15 3HZ LYS 15 -2.728 0.253 7.127 118 H LYS 16 H LYS 16 3.239 -0.270 3.025 119 HA LYS 16 HA LYS 16 5.676 -0.453 4.649 120 2HB LYS 16 2HB LYS 16 5.163 -2.623 4.701 121 2HG LYS 16 2HG LYS 16 3.412 -3.645 3.201 122 2HD LYS 16 2HD LYS 16 1.892 -1.284 3.947 123 2HE LYS 16 2HE LYS 16 2.212 -3.896 5.488 124 1HZ LYS 16 1HZ LYS 16 0.689 -1.758 5.948 125 2HZ LYS 16 2HZ LYS 16 -0.334 -2.677 5.067 126 3HZ LYS 16 3HZ LYS 16 0.321 -3.272 6.440 127 H TYR 17 H TYR 17 4.317 -0.126 1.340 128 HA TYR 17 HA TYR 17 6.938 0.045 0.170 129 2HB TYR 17 2HB TYR 17 5.158 0.906 -1.722 130 HD1 TYR 17 1HD TYR 17 5.719 -2.108 0.387 131 HD2 TYR 17 2HD TYR 17 4.854 -0.615 -3.529 132 HE1 TYR 17 1HE TYR 17 6.107 -4.422 -0.590 133 HE2 TYR 17 2HE TYR 17 5.246 -2.935 -4.492 134 HH TYR 17 HH TYR 17 5.116 -5.593 -2.895 135 H GLY 18 H GLY 18 4.196 2.288 0.920 136 1HA GLY 18 1HA GLY 18 5.044 4.597 -0.228 137 2HA GLY 18 2HA GLY 18 4.214 4.510 1.312 138 HA PRO 19 HA PRO 19 7.929 5.341 3.460 139 2HB PRO 19 2HB PRO 19 7.243 4.531 5.503 140 2HG PRO 19 2HG PRO 19 5.724 2.799 5.392 141 2HD PRO 19 2HD PRO 19 4.811 3.190 3.319 142 H THR 20 H THR 20 8.080 2.180 2.028 143 HA THR 20 HA THR 20 10.990 2.361 1.939 144 HB THR 20 HB THR 20 9.345 0.272 2.462 145 HG1 THR 20 1HG THR 20 11.263 -0.935 1.794 146 1HG2 THR 20 1HG2 THR 20 8.744 0.649 -0.232 147 2HG2 THR 20 2HG2 THR 20 10.092 -0.510 -0.309 148 3HG2 THR 20 3HG2 THR 20 8.627 -0.910 0.620 149 H VAL 21 H VAL 21 9.590 4.424 0.534 150 HA VAL 21 HA VAL 21 8.924 4.253 -1.979 151 HB VAL 21 HB VAL 21 9.273 6.418 -1.748 152 1HG1 VAL 21 1HG1 VAL 21 9.511 6.329 0.586 153 2HG1 VAL 21 2HG1 VAL 21 11.123 5.578 0.486 154 3HG1 VAL 21 3HG1 VAL 21 10.909 7.289 0.046 155 1HG2 VAL 21 1HG2 VAL 21 12.161 5.633 -2.202 156 2HG2 VAL 21 2HG2 VAL 21 10.988 6.279 -3.375 157 3HG2 VAL 21 3HG2 VAL 21 11.632 7.328 -2.091 158 H LEU 22 H LEU 22 9.788 3.865 -4.060 159 HA LEU 22 HA LEU 22 12.364 3.523 -4.775 160 2HB LEU 22 2HB LEU 22 11.370 1.176 -3.247 161 HG LEU 22 HG LEU 22 12.483 0.869 -5.910 162 1HD1 LEU 22 1HD1 LEU 22 14.621 0.993 -4.585 163 2HD1 LEU 22 2HD1 LEU 22 14.089 -0.471 -3.724 164 3HD1 LEU 22 3HD1 LEU 22 14.363 -0.522 -5.482 165 1HD2 LEU 22 1HD2 LEU 22 11.307 -1.020 -5.808 166 2HD2 LEU 22 2HD2 LEU 22 12.132 -1.553 -4.323 167 3HD2 LEU 22 3HD2 LEU 22 10.733 -0.458 -4.219 168 H ARG 23 H ARG 23 9.707 1.064 -5.027 169 HA ARG 23 HA ARG 23 9.755 1.536 -7.866 170 2HB ARG 23 2HB ARG 23 9.809 -0.803 -7.160 171 2HG ARG 23 2HG ARG 23 7.446 0.048 -5.469 172 2HD ARG 23 2HD ARG 23 6.372 -1.805 -6.424 173 HE ARG 23 HE ARG 23 9.078 -2.686 -7.164 174 1HH1 ARG 23 1HH1 ARG 23 7.860 -5.281 -9.152 175 2HH1 ARG 23 2HH1 ARG 23 9.252 -4.346 -8.724 176 1HH2 ARG 23 1HH2 ARG 23 5.815 -4.849 -8.141 177 2HH2 ARG 23 2HH2 ARG 23 5.683 -3.591 -6.958 178 H ILE 24 H ILE 24 8.382 3.143 -5.431 179 HA ILE 24 HA ILE 24 5.822 3.456 -6.841 180 HB ILE 24 HB ILE 24 4.996 4.152 -4.494 181 2HG1 ILE 24 2HG1 ILE 24 7.544 3.781 -3.713 182 1HG2 ILE 24 1HG2 ILE 24 3.794 2.337 -4.919 183 2HG2 ILE 24 2HG2 ILE 24 5.105 1.636 -5.899 184 3HG2 ILE 24 3HG2 ILE 24 5.066 1.364 -4.141 185 1HD1 ILE 24 1HD1 ILE 24 5.307 4.531 -2.471 186 2HD1 ILE 24 2HD1 ILE 24 5.393 2.886 -1.799 187 3HD1 ILE 24 3HD1 ILE 24 6.735 4.025 -1.537 188 H ILE 25 H ILE 25 8.356 4.962 -4.744 189 HA ILE 25 HA ILE 25 7.584 7.536 -5.934 190 HB ILE 25 HB ILE 25 9.240 7.596 -3.521 191 2HG1 ILE 25 2HG1 ILE 25 8.021 5.701 -2.785 192 1HG2 ILE 25 1HG2 ILE 25 8.258 9.589 -3.265 193 2HG2 ILE 25 2HG2 ILE 25 7.670 9.348 -4.928 194 3HG2 ILE 25 3HG2 ILE 25 6.627 8.934 -3.546 195 1HD1 ILE 25 1HD1 ILE 25 6.283 7.981 -1.790 196 2HD1 ILE 25 2HD1 ILE 25 6.865 6.553 -0.900 197 3HD1 ILE 25 3HD1 ILE 25 7.994 7.863 -1.315 198 H ARG 26 H ARG 26 10.243 5.286 -5.073 199 HA ARG 26 HA ARG 26 12.350 5.256 -5.603 200 2HB ARG 26 2HB ARG 26 12.433 4.688 -7.808 201 2HG ARG 26 2HG ARG 26 9.969 6.248 -8.546 202 2HD ARG 26 2HD ARG 26 9.638 3.500 -9.033 203 HE ARG 26 HE ARG 26 10.773 4.804 -11.295 204 1HH1 ARG 26 1HH1 ARG 26 7.927 6.577 -12.265 205 2HH1 ARG 26 2HH1 ARG 26 9.479 5.983 -12.762 206 1HH2 ARG 26 1HH2 ARG 26 7.167 6.172 -10.110 207 2HH2 ARG 26 2HH2 ARG 26 8.150 5.278 -8.998 208 H ILE 27 H ILE 27 11.058 8.011 -4.762 209 HA ILE 27 HA ILE 27 13.362 9.635 -5.589 210 HB ILE 27 HB ILE 27 10.544 10.584 -5.059 211 2HG1 ILE 27 2HG1 ILE 27 11.542 9.318 -7.350 212 1HG2 ILE 27 1HG2 ILE 27 11.292 12.754 -5.718 213 2HG2 ILE 27 2HG2 ILE 27 12.387 12.164 -4.445 214 3HG2 ILE 27 3HG2 ILE 27 12.903 12.134 -6.148 215 1HD1 ILE 27 1HD1 ILE 27 9.278 11.275 -7.579 216 2HD1 ILE 27 2HD1 ILE 27 9.359 9.570 -8.082 217 3HD1 ILE 27 3HD1 ILE 27 9.117 9.982 -6.368 218 H ALA 28 H ALA 28 10.835 9.060 -3.054 219 HA ALA 28 HA ALA 28 10.959 9.109 -0.846 220 1HB ALA 28 1HB ALA 28 13.462 8.160 -1.654 221 2HB ALA 28 2HB ALA 28 13.844 9.455 -0.495 222 3HB ALA 28 3HB ALA 28 12.794 8.104 -0.005 223 H GLY 29 H GLY 29 10.426 11.483 -2.264 224 1HA GLY 29 1HA GLY 29 11.851 13.729 -1.871 225 2HA GLY 29 2HA GLY 29 10.107 13.655 -1.710 Start of MODEL 28 1 H ARG 1 H ARG 1 -11.287 0.911 12.826 2 HA ARG 1 HA ARG 1 -9.399 2.938 13.345 3 2HB ARG 1 2HB ARG 1 -7.490 1.176 13.692 4 2HG ARG 1 2HG ARG 1 -8.264 0.929 16.231 5 2HD ARG 1 2HD ARG 1 -7.221 3.190 14.645 6 HE ARG 1 HE ARG 1 -9.029 3.813 16.877 7 1HH1 ARG 1 1HH1 ARG 1 -8.165 7.194 16.836 8 2HH1 ARG 1 2HH1 ARG 1 -9.276 6.012 17.445 9 1HH2 ARG 1 1HH2 ARG 1 -6.426 6.542 15.444 10 2HH2 ARG 1 2HH2 ARG 1 -6.239 4.875 15.015 11 H GLY 2 H GLY 2 -11.093 1.878 11.155 12 1HA GLY 2 1HA GLY 2 -9.863 2.231 8.912 13 2HA GLY 2 2HA GLY 2 -9.119 0.697 9.322 14 H LEU 3 H LEU 3 -11.980 2.305 8.113 15 HA LEU 3 HA LEU 3 -13.485 -0.198 8.186 16 2HB LEU 3 2HB LEU 3 -15.184 1.610 7.124 17 HG LEU 3 HG LEU 3 -14.603 1.093 10.040 18 1HD1 LEU 3 1HD1 LEU 3 -15.644 3.005 10.537 19 2HD1 LEU 3 2HD1 LEU 3 -16.238 3.226 8.874 20 3HD1 LEU 3 3HD1 LEU 3 -17.129 2.179 10.006 21 1HD2 LEU 3 1HD2 LEU 3 -15.561 -0.820 9.192 22 2HD2 LEU 3 2HD2 LEU 3 -16.997 0.079 9.736 23 3HD2 LEU 3 3HD2 LEU 3 -16.558 0.065 8.012 24 H ARG 4 H ARG 4 -13.992 2.264 5.699 25 HA ARG 4 HA ARG 4 -12.536 0.651 3.806 26 2HB ARG 4 2HB ARG 4 -14.694 -0.361 3.554 27 2HG ARG 4 2HG ARG 4 -15.633 2.230 4.473 28 2HD ARG 4 2HD ARG 4 -16.731 1.204 1.834 29 HE ARG 4 HE ARG 4 -18.462 3.091 3.179 30 1HH1 ARG 4 1HH1 ARG 4 -20.896 0.730 4.006 31 2HH1 ARG 4 2HH1 ARG 4 -20.539 2.419 3.857 32 1HH2 ARG 4 1HH2 ARG 4 -19.266 -0.848 3.515 33 2HH2 ARG 4 2HH2 ARG 4 -17.693 -0.338 3.001 34 H ARG 5 H ARG 5 -11.549 3.017 4.596 35 HA ARG 5 HA ARG 5 -11.158 4.486 2.465 36 2HB ARG 5 2HB ARG 5 -12.898 6.507 3.355 37 2HG ARG 5 2HG ARG 5 -14.290 5.519 1.258 38 2HD ARG 5 2HD ARG 5 -11.466 6.637 0.931 39 HE ARG 5 HE ARG 5 -13.676 6.243 -0.918 40 1HH1 ARG 5 1HH1 ARG 5 -12.277 8.246 -3.410 41 2HH1 ARG 5 2HH1 ARG 5 -13.485 7.058 -3.044 42 1HH2 ARG 5 1HH2 ARG 5 -10.859 9.010 -1.740 43 2HH2 ARG 5 2HH2 ARG 5 -11.004 8.392 -0.129 44 H LEU 6 H LEU 6 -11.731 4.262 5.913 45 HA LEU 6 HA LEU 6 -10.617 6.719 6.700 46 2HB LEU 6 2HB LEU 6 -10.319 5.486 8.893 47 HG LEU 6 HG LEU 6 -12.999 5.642 7.526 48 1HD1 LEU 6 1HD1 LEU 6 -12.664 3.687 9.306 49 2HD1 LEU 6 2HD1 LEU 6 -12.924 5.033 10.441 50 3HD1 LEU 6 3HD1 LEU 6 -14.156 4.653 9.214 51 1HD2 LEU 6 1HD2 LEU 6 -12.866 7.739 8.240 52 2HD2 LEU 6 2HD2 LEU 6 -12.924 7.129 9.911 53 3HD2 LEU 6 3HD2 LEU 6 -11.354 7.397 9.116 54 H GLY 7 H GLY 7 -9.255 3.843 5.319 55 1HA GLY 7 1HA GLY 7 -6.804 4.697 4.760 56 2HA GLY 7 2HA GLY 7 -6.612 4.292 6.455 57 H ARG 8 H ARG 8 -8.877 2.156 6.032 58 HA ARG 8 HA ARG 8 -7.015 0.099 5.372 59 2HB ARG 8 2HB ARG 8 -9.956 -0.412 5.892 60 2HG ARG 8 2HG ARG 8 -7.597 -1.987 5.777 61 2HD ARG 8 2HD ARG 8 -8.698 -2.216 8.581 62 HE ARG 8 HE ARG 8 -5.888 -2.722 8.089 63 1HH1 ARG 8 1HH1 ARG 8 -6.271 -6.175 7.759 64 2HH1 ARG 8 2HH1 ARG 8 -5.146 -4.880 8.000 65 1HH2 ARG 8 1HH2 ARG 8 -8.534 -5.715 7.527 66 2HH2 ARG 8 2HH2 ARG 8 -9.098 -4.079 7.594 67 H LYS 9 H LYS 9 -8.507 2.153 3.412 68 HA LYS 9 HA LYS 9 -9.138 0.080 1.440 69 2HB LYS 9 2HB LYS 9 -10.750 2.593 1.972 70 2HG LYS 9 2HG LYS 9 -10.338 1.440 -0.491 71 2HD LYS 9 2HD LYS 9 -12.890 0.338 -0.516 72 2HE LYS 9 2HE LYS 9 -11.175 -1.864 -0.162 73 1HZ LYS 9 1HZ LYS 9 -11.750 -2.102 -2.268 74 2HZ LYS 9 2HZ LYS 9 -12.587 -0.703 -2.147 75 3HZ LYS 9 3HZ LYS 9 -11.065 -0.696 -2.740 76 H ILE 10 H ILE 10 -8.171 3.475 2.169 77 HA ILE 10 HA ILE 10 -7.567 4.364 -0.319 78 HB ILE 10 HB ILE 10 -6.003 4.798 2.228 79 2HG1 ILE 10 2HG1 ILE 10 -8.533 5.223 2.236 80 1HG2 ILE 10 1HG2 ILE 10 -5.038 5.485 -0.126 81 2HG2 ILE 10 2HG2 ILE 10 -6.198 6.826 0.038 82 3HG2 ILE 10 3HG2 ILE 10 -4.937 6.586 1.269 83 1HD1 ILE 10 1HD1 ILE 10 -7.899 7.787 2.998 84 2HD1 ILE 10 2HD1 ILE 10 -7.641 6.351 4.019 85 3HD1 ILE 10 3HD1 ILE 10 -6.299 7.011 3.053 86 H ALA 11 H ALA 11 -5.421 2.399 1.849 87 HA ALA 11 HA ALA 11 -4.339 1.029 -0.389 88 1HB ALA 11 1HB ALA 11 -1.937 1.898 0.253 89 2HB ALA 11 2HB ALA 11 -2.953 2.849 -0.856 90 3HB ALA 11 3HB ALA 11 -2.821 3.322 0.854 91 H HIS 12 H HIS 12 -2.267 -0.287 0.522 92 HA HIS 12 HA HIS 12 -2.587 -0.817 3.345 93 2HB HIS 12 2HB HIS 12 -4.206 -2.248 1.820 94 HD1 HIS 12 1HD HIS 12 -0.668 -2.757 1.069 95 HD2 HIS 12 2HD HIS 12 -4.129 -5.127 1.060 96 HE1 HIS 12 1HE HIS 12 -0.126 -4.807 -0.350 97 H GLY 13 H GLY 13 -1.011 -1.558 0.189 98 1HA GLY 13 1HA GLY 13 1.349 -2.630 1.452 99 2HA GLY 13 2HA GLY 13 1.079 -2.341 -0.256 100 H VAL 14 H VAL 14 0.094 0.536 0.670 101 HA VAL 14 HA VAL 14 2.533 1.814 0.091 102 HB VAL 14 HB VAL 14 0.085 2.531 -0.299 103 1HG1 VAL 14 1HG1 VAL 14 0.517 3.517 2.538 104 2HG1 VAL 14 2HG1 VAL 14 -0.748 4.132 1.446 105 3HG1 VAL 14 3HG1 VAL 14 -0.760 2.425 1.950 106 1HG2 VAL 14 1HG2 VAL 14 1.823 4.750 0.765 107 2HG2 VAL 14 2HG2 VAL 14 2.308 3.827 -0.677 108 3HG2 VAL 14 3HG2 VAL 14 0.773 4.727 -0.671 109 H LYS 15 H LYS 15 0.877 0.844 3.085 110 HA LYS 15 HA LYS 15 2.279 2.518 4.831 111 2HB LYS 15 2HB LYS 15 1.360 -0.217 5.650 112 2HG LYS 15 2HG LYS 15 1.416 2.594 6.785 113 2HD LYS 15 2HD LYS 15 -0.913 1.325 6.997 114 2HE LYS 15 2HE LYS 15 0.672 -0.685 7.995 115 1HZ LYS 15 1HZ LYS 15 1.292 0.480 9.928 116 2HZ LYS 15 2HZ LYS 15 -0.234 0.966 10.244 117 3HZ LYS 15 3HZ LYS 15 0.169 -0.609 10.397 118 H LYS 16 H LYS 16 3.202 -0.340 3.015 119 HA LYS 16 HA LYS 16 5.653 -0.516 4.620 120 2HB LYS 16 2HB LYS 16 5.146 -2.687 4.677 121 2HG LYS 16 2HG LYS 16 3.389 -3.717 3.189 122 2HD LYS 16 2HD LYS 16 1.863 -1.362 3.942 123 2HE LYS 16 2HE LYS 16 1.614 -4.105 4.142 124 1HZ LYS 16 1HZ LYS 16 3.087 -3.585 6.256 125 2HZ LYS 16 2HZ LYS 16 1.609 -3.341 6.911 126 3HZ LYS 16 3HZ LYS 16 1.971 -4.779 6.227 127 H TYR 17 H TYR 17 4.264 -0.190 1.325 128 HA TYR 17 HA TYR 17 6.877 -0.008 0.134 129 2HB TYR 17 2HB TYR 17 5.077 0.838 -1.746 130 HD1 TYR 17 1HD TYR 17 5.145 -2.266 0.371 131 HD2 TYR 17 2HD TYR 17 5.302 -0.586 -3.562 132 HE1 TYR 17 1HE TYR 17 5.545 -4.577 -0.609 133 HE2 TYR 17 2HE TYR 17 5.700 -2.905 -4.528 134 HH TYR 17 HH TYR 17 6.476 -5.003 -3.900 135 H GLY 18 H GLY 18 4.126 2.217 0.902 136 1HA GLY 18 1HA GLY 18 4.947 4.532 -0.255 137 2HA GLY 18 2HA GLY 18 4.137 4.440 1.297 138 HA PRO 19 HA PRO 19 7.880 5.276 3.399 139 2HB PRO 19 2HB PRO 19 7.252 4.412 5.439 140 2HG PRO 19 2HG PRO 19 5.761 2.657 5.324 141 2HD PRO 19 2HD PRO 19 4.798 3.071 3.277 142 H THR 20 H THR 20 8.071 2.120 1.945 143 HA THR 20 HA THR 20 10.961 2.275 1.849 144 HB THR 20 HB THR 20 9.260 0.197 2.134 145 HG1 THR 20 1HG THR 20 11.651 0.345 0.432 146 1HG2 THR 20 1HG2 THR 20 8.547 0.817 -0.422 147 2HG2 THR 20 2HG2 THR 20 9.991 -0.168 -0.761 148 3HG2 THR 20 3HG2 THR 20 8.634 -0.864 0.157 149 H VAL 21 H VAL 21 10.227 4.557 0.701 150 HA VAL 21 HA VAL 21 9.474 4.581 -1.926 151 HB VAL 21 HB VAL 21 10.198 6.747 -1.945 152 1HG1 VAL 21 1HG1 VAL 21 10.470 6.505 1.031 153 2HG1 VAL 21 2HG1 VAL 21 9.545 7.675 0.058 154 3HG1 VAL 21 3HG1 VAL 21 8.941 6.012 0.265 155 1HG2 VAL 21 1HG2 VAL 21 12.646 5.644 -0.698 156 2HG2 VAL 21 2HG2 VAL 21 12.452 6.914 -1.930 157 3HG2 VAL 21 3HG2 VAL 21 12.222 7.301 -0.208 158 H LEU 22 H LEU 22 11.403 5.577 -3.595 159 HA LEU 22 HA LEU 22 13.425 5.151 -4.568 160 2HB LEU 22 2HB LEU 22 13.618 2.467 -3.246 161 HG LEU 22 HG LEU 22 15.304 3.559 -5.027 162 1HD1 LEU 22 1HD1 LEU 22 17.069 4.269 -2.879 163 2HD1 LEU 22 2HD1 LEU 22 16.564 5.226 -4.293 164 3HD1 LEU 22 3HD1 LEU 22 15.598 5.268 -2.798 165 1HD2 LEU 22 1HD2 LEU 22 15.711 1.726 -2.707 166 2HD2 LEU 22 2HD2 LEU 22 15.817 1.413 -4.456 167 3HD2 LEU 22 3HD2 LEU 22 17.141 2.260 -3.622 168 H ARG 23 H ARG 23 11.937 1.881 -4.079 169 HA ARG 23 HA ARG 23 11.895 1.542 -6.891 170 2HB ARG 23 2HB ARG 23 12.363 -0.404 -5.511 171 2HG ARG 23 2HG ARG 23 10.021 -1.114 -4.199 172 2HD ARG 23 2HD ARG 23 11.512 0.286 -2.264 173 HE ARG 23 HE ARG 23 11.019 -2.412 -2.918 174 1HH1 ARG 23 1HH1 ARG 23 13.250 -3.924 -0.701 175 2HH1 ARG 23 2HH1 ARG 23 11.844 -4.150 -1.686 176 1HH2 ARG 23 1HH2 ARG 23 14.296 -1.851 -0.633 177 2HH2 ARG 23 2HH2 ARG 23 13.670 -0.534 -1.567 178 H ILE 24 H ILE 24 10.028 3.440 -5.013 179 HA ILE 24 HA ILE 24 7.632 2.883 -6.609 180 HB ILE 24 HB ILE 24 6.353 3.693 -4.546 181 2HG1 ILE 24 2HG1 ILE 24 8.786 4.163 -3.468 182 1HG2 ILE 24 1HG2 ILE 24 6.143 1.428 -3.693 183 2HG2 ILE 24 2HG2 ILE 24 6.260 1.412 -5.469 184 3HG2 ILE 24 3HG2 ILE 24 7.671 0.963 -4.480 185 1HD1 ILE 24 1HD1 ILE 24 6.578 4.877 -2.555 186 2HD1 ILE 24 2HD1 ILE 24 6.311 3.227 -1.940 187 3HD1 ILE 24 3HD1 ILE 24 7.633 4.220 -1.280 188 H ILE 25 H ILE 25 9.595 5.209 -4.677 189 HA ILE 25 HA ILE 25 8.356 7.355 -6.251 190 HB ILE 25 HB ILE 25 9.971 8.026 -3.876 191 2HG1 ILE 25 2HG1 ILE 25 8.915 6.041 -2.998 192 1HG2 ILE 25 1HG2 ILE 25 8.883 9.933 -4.169 193 2HG2 ILE 25 2HG2 ILE 25 7.996 9.217 -5.536 194 3HG2 ILE 25 3HG2 ILE 25 7.329 9.112 -3.890 195 1HD1 ILE 25 1HD1 ILE 25 7.137 8.317 -2.075 196 2HD1 ILE 25 2HD1 ILE 25 7.846 6.995 -1.114 197 3HD1 ILE 25 3HD1 ILE 25 8.878 8.319 -1.707 198 H ARG 26 H ARG 26 11.277 5.542 -5.549 199 HA ARG 26 HA ARG 26 13.355 5.768 -6.159 200 2HB ARG 26 2HB ARG 26 13.603 5.625 -8.462 201 2HG ARG 26 2HG ARG 26 10.837 5.884 -9.229 202 2HD ARG 26 2HD ARG 26 11.389 3.176 -8.608 203 HE ARG 26 HE ARG 26 10.598 3.543 -10.807 204 1HH1 ARG 26 1HH1 ARG 26 12.360 4.714 -13.584 205 2HH1 ARG 26 2HH1 ARG 26 10.910 3.939 -13.037 206 1HH2 ARG 26 1HH2 ARG 26 13.983 5.352 -12.052 207 2HH2 ARG 26 2HH2 ARG 26 13.745 5.052 -10.362 208 H ILE 27 H ILE 27 11.905 8.278 -5.003 209 HA ILE 27 HA ILE 27 13.918 10.219 -5.907 210 HB ILE 27 HB ILE 27 11.088 10.752 -4.998 211 2HG1 ILE 27 2HG1 ILE 27 12.001 9.903 -7.508 212 1HG2 ILE 27 1HG2 ILE 27 13.380 12.420 -4.940 213 2HG2 ILE 27 2HG2 ILE 27 12.346 12.984 -6.273 214 3HG2 ILE 27 3HG2 ILE 27 11.682 12.854 -4.627 215 1HD1 ILE 27 1HD1 ILE 27 9.624 10.116 -6.261 216 2HD1 ILE 27 2HD1 ILE 27 9.510 11.570 -7.281 217 3HD1 ILE 27 3HD1 ILE 27 9.743 9.972 -8.031 218 H ALA 28 H ALA 28 11.774 9.193 -3.168 219 HA ALA 28 HA ALA 28 12.120 9.141 -0.983 220 1HB ALA 28 1HB ALA 28 14.231 8.480 -0.196 221 2HB ALA 28 2HB ALA 28 14.261 7.956 -1.898 222 3HB ALA 28 3HB ALA 28 15.097 9.451 -1.411 223 H GLY 29 H GLY 29 11.581 11.655 -2.336 224 1HA GLY 29 1HA GLY 29 13.257 13.705 -1.266 225 2HA GLY 29 2HA GLY 29 11.700 13.893 -2.047 Start of MODEL 29 1 H ARG 1 H ARG 1 -8.290 -5.380 -2.090 2 HA ARG 1 HA ARG 1 -5.574 -6.069 -1.366 3 2HB ARG 1 2HB ARG 1 -5.946 -4.008 0.363 4 2HG ARG 1 2HG ARG 1 -4.444 -4.444 -2.025 5 2HD ARG 1 2HD ARG 1 -4.298 -1.867 -2.604 6 HE ARG 1 HE ARG 1 -6.691 -2.816 -3.900 7 1HH1 ARG 1 1HH1 ARG 1 -5.037 -4.660 -6.358 8 2HH1 ARG 1 2HH1 ARG 1 -6.541 -3.943 -5.882 9 1HH2 ARG 1 1HH2 ARG 1 -3.177 -4.477 -4.982 10 2HH2 ARG 1 2HH2 ARG 1 -3.290 -3.622 -3.480 11 H GLY 2 H GLY 2 -8.834 -4.993 -0.157 12 1HA GLY 2 1HA GLY 2 -9.467 -7.287 1.234 13 2HA GLY 2 2HA GLY 2 -8.565 -6.297 2.365 14 H LEU 3 H LEU 3 -9.650 -4.723 3.492 15 HA LEU 3 HA LEU 3 -12.357 -4.514 3.475 16 2HB LEU 3 2HB LEU 3 -12.111 -2.661 4.876 17 HG LEU 3 HG LEU 3 -10.495 -4.827 5.382 18 1HD1 LEU 3 1HD1 LEU 3 -8.320 -4.255 5.846 19 2HD1 LEU 3 2HD1 LEU 3 -8.629 -3.259 4.402 20 3HD1 LEU 3 3HD1 LEU 3 -8.691 -2.524 6.022 21 1HD2 LEU 3 1HD2 LEU 3 -10.921 -2.365 7.099 22 2HD2 LEU 3 2HD2 LEU 3 -12.001 -3.776 6.971 23 3HD2 LEU 3 3HD2 LEU 3 -10.377 -3.956 7.683 24 H ARG 4 H ARG 4 -13.707 -2.496 2.912 25 HA ARG 4 HA ARG 4 -12.901 -1.672 0.237 26 2HB ARG 4 2HB ARG 4 -15.246 -1.641 -0.400 27 2HG ARG 4 2HG ARG 4 -14.000 -4.011 0.640 28 2HD ARG 4 2HD ARG 4 -16.964 -3.718 1.294 29 HE ARG 4 HE ARG 4 -15.591 -6.098 0.328 30 1HH1 ARG 4 1HH1 ARG 4 -18.116 -8.272 1.362 31 2HH1 ARG 4 2HH1 ARG 4 -16.699 -8.094 0.382 32 1HH2 ARG 4 1HH2 ARG 4 -18.891 -6.480 2.618 33 2HH2 ARG 4 2HH2 ARG 4 -18.051 -4.967 2.575 34 H ARG 5 H ARG 5 -13.315 -0.679 3.441 35 HA ARG 5 HA ARG 5 -12.677 1.823 3.233 36 2HB ARG 5 2HB ARG 5 -15.291 2.782 3.432 37 2HG ARG 5 2HG ARG 5 -14.499 2.907 0.667 38 2HD ARG 5 2HD ARG 5 -15.422 4.677 2.463 39 HE ARG 5 HE ARG 5 -12.650 4.570 3.157 40 1HH1 ARG 5 1HH1 ARG 5 -12.454 7.766 4.543 41 2HH1 ARG 5 2HH1 ARG 5 -11.698 6.212 4.431 42 1HH2 ARG 5 1HH2 ARG 5 -14.432 8.181 3.401 43 2HH2 ARG 5 2HH2 ARG 5 -15.152 6.936 2.435 44 H LEU 6 H LEU 6 -13.374 -0.694 4.923 45 HA LEU 6 HA LEU 6 -14.958 0.322 7.074 46 2HB LEU 6 2HB LEU 6 -14.329 -1.797 8.165 47 HG LEU 6 HG LEU 6 -15.496 -1.792 5.424 48 1HD1 LEU 6 1HD1 LEU 6 -14.700 -3.798 4.877 49 2HD1 LEU 6 2HD1 LEU 6 -14.029 -4.071 6.504 50 3HD1 LEU 6 3HD1 LEU 6 -15.737 -4.448 6.171 51 1HD2 LEU 6 1HD2 LEU 6 -16.387 -2.576 8.195 52 2HD2 LEU 6 2HD2 LEU 6 -17.036 -1.315 7.119 53 3HD2 LEU 6 3HD2 LEU 6 -17.311 -3.033 6.743 54 H GLY 7 H GLY 7 -11.647 0.578 6.049 55 1HA GLY 7 1HA GLY 7 -10.959 2.373 8.078 56 2HA GLY 7 2HA GLY 7 -10.365 0.792 8.546 57 H ARG 8 H ARG 8 -9.531 -0.440 6.256 58 HA ARG 8 HA ARG 8 -7.549 1.451 5.281 59 2HB ARG 8 2HB ARG 8 -6.866 -1.336 4.749 60 2HG ARG 8 2HG ARG 8 -5.695 1.094 5.969 61 2HD ARG 8 2HD ARG 8 -4.014 -1.123 6.775 62 HE ARG 8 HE ARG 8 -3.648 0.689 8.199 63 1HH1 ARG 8 1HH1 ARG 8 -5.845 2.562 10.160 64 2HH1 ARG 8 2HH1 ARG 8 -4.185 2.271 9.757 65 1HH2 ARG 8 1HH2 ARG 8 -7.522 1.344 9.118 66 2HH2 ARG 8 2HH2 ARG 8 -7.116 0.143 7.937 67 H LYS 9 H LYS 9 -8.456 2.217 3.348 68 HA LYS 9 HA LYS 9 -9.067 0.150 1.362 69 2HB LYS 9 2HB LYS 9 -10.683 2.648 1.944 70 2HG LYS 9 2HG LYS 9 -10.323 2.012 -0.550 71 2HD LYS 9 2HD LYS 9 -12.392 0.050 -0.649 72 2HE LYS 9 2HE LYS 9 -9.378 -0.183 -1.108 73 1HZ LYS 9 1HZ LYS 9 -10.167 -1.943 -2.628 74 2HZ LYS 9 2HZ LYS 9 -10.344 -2.314 -1.048 75 3HZ LYS 9 3HZ LYS 9 -11.641 -1.862 -1.933 76 H ILE 10 H ILE 10 -8.103 3.546 2.099 77 HA ILE 10 HA ILE 10 -7.482 4.434 -0.384 78 HB ILE 10 HB ILE 10 -5.931 4.866 2.171 79 2HG1 ILE 10 2HG1 ILE 10 -8.464 5.292 2.163 80 1HG2 ILE 10 1HG2 ILE 10 -4.556 6.153 1.005 81 2HG2 ILE 10 2HG2 ILE 10 -5.441 5.787 -0.496 82 3HG2 ILE 10 3HG2 ILE 10 -5.935 7.166 0.514 83 1HD1 ILE 10 1HD1 ILE 10 -8.087 6.863 3.779 84 2HD1 ILE 10 2HD1 ILE 10 -6.367 6.552 3.445 85 3HD1 ILE 10 3HD1 ILE 10 -7.189 7.925 2.667 86 H ALA 11 H ALA 11 -5.354 2.462 1.796 87 HA ALA 11 HA ALA 11 -4.257 1.095 -0.437 88 1HB ALA 11 1HB ALA 11 -2.782 2.778 -0.940 89 2HB ALA 11 2HB ALA 11 -2.836 3.465 0.702 90 3HB ALA 11 3HB ALA 11 -1.857 2.016 0.374 91 H HIS 12 H HIS 12 -2.194 -0.224 0.485 92 HA HIS 12 HA HIS 12 -2.530 -0.754 3.305 93 2HB HIS 12 2HB HIS 12 -4.139 -2.186 1.770 94 HD1 HIS 12 1HD HIS 12 -0.596 -2.696 1.044 95 HD2 HIS 12 2HD HIS 12 -4.060 -5.062 1.004 96 HE1 HIS 12 1HE HIS 12 -0.046 -4.746 -0.373 97 H GLY 13 H GLY 13 -0.936 -1.498 0.160 98 1HA GLY 13 1HA GLY 13 1.416 -2.571 1.436 99 2HA GLY 13 2HA GLY 13 1.158 -2.280 -0.273 100 H VAL 14 H VAL 14 0.167 0.598 0.648 101 HA VAL 14 HA VAL 14 2.611 1.875 0.086 102 HB VAL 14 HB VAL 14 0.167 2.592 -0.320 103 1HG1 VAL 14 1HG1 VAL 14 0.572 3.686 2.485 104 2HG1 VAL 14 2HG1 VAL 14 -0.760 4.114 1.384 105 3HG1 VAL 14 3HG1 VAL 14 -0.611 2.448 1.994 106 1HG2 VAL 14 1HG2 VAL 14 1.312 4.325 -1.132 107 2HG2 VAL 14 2HG2 VAL 14 1.213 5.088 0.474 108 3HG2 VAL 14 3HG2 VAL 14 2.618 4.077 0.053 109 H LYS 15 H LYS 15 0.936 0.905 3.069 110 HA LYS 15 HA LYS 15 2.324 2.577 4.825 111 2HB LYS 15 2HB LYS 15 1.719 0.487 6.392 112 2HG LYS 15 2HG LYS 15 -0.718 1.868 5.399 113 2HD LYS 15 2HD LYS 15 0.630 1.167 7.946 114 2HE LYS 15 2HE LYS 15 -1.048 3.717 7.820 115 1HZ LYS 15 1HZ LYS 15 -0.597 2.054 9.847 116 2HZ LYS 15 2HZ LYS 15 0.639 3.105 10.045 117 3HZ LYS 15 3HZ LYS 15 -0.901 3.649 10.022 118 H LYS 16 H LYS 16 3.259 -0.283 3.016 119 HA LYS 16 HA LYS 16 5.699 -0.459 4.638 120 2HB LYS 16 2HB LYS 16 5.192 -2.632 4.685 121 2HG LYS 16 2HG LYS 16 3.445 -3.657 3.183 122 2HD LYS 16 2HD LYS 16 1.915 -1.303 3.936 123 2HE LYS 16 2HE LYS 16 2.274 -4.118 5.048 124 1HZ LYS 16 1HZ LYS 16 1.365 -2.028 6.472 125 2HZ LYS 16 2HZ LYS 16 -0.017 -2.657 5.868 126 3HZ LYS 16 3HZ LYS 16 0.990 -3.592 6.751 127 H TYR 17 H TYR 17 4.334 -0.130 1.330 128 HA TYR 17 HA TYR 17 6.956 0.054 0.160 129 2HB TYR 17 2HB TYR 17 5.171 0.908 -1.731 130 HD1 TYR 17 1HD TYR 17 5.595 -2.140 0.387 131 HD2 TYR 17 2HD TYR 17 5.027 -0.578 -3.554 132 HE1 TYR 17 1HE TYR 17 5.995 -4.450 -0.594 133 HE2 TYR 17 2HE TYR 17 5.430 -2.893 -4.523 134 HH TYR 17 HH TYR 17 6.412 -5.569 -2.445 135 H GLY 18 H GLY 18 4.203 2.282 0.915 136 1HA GLY 18 1HA GLY 18 5.037 4.599 -0.230 137 2HA GLY 18 2HA GLY 18 4.211 4.503 1.313 138 HA PRO 19 HA PRO 19 7.928 5.348 3.451 139 2HB PRO 19 2HB PRO 19 7.254 4.530 5.494 140 2HG PRO 19 2HG PRO 19 5.743 2.791 5.385 141 2HD PRO 19 2HD PRO 19 4.822 3.182 3.315 142 H THR 20 H THR 20 8.099 2.179 2.034 143 HA THR 20 HA THR 20 11.003 2.367 1.940 144 HB THR 20 HB THR 20 9.351 0.275 2.429 145 HG1 THR 20 1HG THR 20 11.329 -0.763 2.132 146 1HG2 THR 20 1HG2 THR 20 10.116 -0.460 -0.354 147 2HG2 THR 20 2HG2 THR 20 8.656 -0.894 0.566 148 3HG2 THR 20 3HG2 THR 20 8.755 0.681 -0.256 149 H VAL 21 H VAL 21 9.627 4.453 0.554 150 HA VAL 21 HA VAL 21 8.961 4.324 -1.959 151 HB VAL 21 HB VAL 21 9.345 6.481 -1.714 152 1HG1 VAL 21 1HG1 VAL 21 10.960 7.315 0.112 153 2HG1 VAL 21 2HG1 VAL 21 9.552 6.354 0.623 154 3HG1 VAL 21 3HG1 VAL 21 11.161 5.599 0.533 155 1HG2 VAL 21 1HG2 VAL 21 11.727 7.358 -2.010 156 2HG2 VAL 21 2HG2 VAL 21 12.225 5.655 -2.141 157 3HG2 VAL 21 3HG2 VAL 21 11.079 6.340 -3.319 158 H LEU 22 H LEU 22 9.802 3.919 -4.037 159 HA LEU 22 HA LEU 22 12.386 3.554 -4.750 160 2HB LEU 22 2HB LEU 22 11.296 1.153 -3.351 161 HG LEU 22 HG LEU 22 12.089 0.681 -5.873 162 1HD1 LEU 22 1HD1 LEU 22 14.292 1.853 -5.355 163 2HD1 LEU 22 2HD1 LEU 22 14.696 0.426 -4.371 164 3HD1 LEU 22 3HD1 LEU 22 14.388 0.246 -6.115 165 1HD2 LEU 22 1HD2 LEU 22 11.319 -0.909 -4.046 166 2HD2 LEU 22 2HD2 LEU 22 12.463 -1.561 -5.244 167 3HD2 LEU 22 3HD2 LEU 22 13.037 -1.098 -3.623 168 H ARG 23 H ARG 23 9.682 1.155 -5.069 169 HA ARG 23 HA ARG 23 9.749 1.696 -7.896 170 2HB ARG 23 2HB ARG 23 8.101 -0.305 -7.926 171 2HG ARG 23 2HG ARG 23 9.904 -1.972 -7.349 172 2HD ARG 23 2HD ARG 23 9.925 -0.021 -9.383 173 HE ARG 23 HE ARG 23 12.066 0.708 -7.822 174 1HH1 ARG 23 1HH1 ARG 23 14.613 1.161 -10.163 175 2HH1 ARG 23 2HH1 ARG 23 14.052 1.552 -8.571 176 1HH2 ARG 23 1HH2 ARG 23 13.346 -0.217 -11.534 177 2HH2 ARG 23 2HH2 ARG 23 11.841 -0.857 -10.965 178 H ILE 24 H ILE 24 8.403 3.282 -5.446 179 HA ILE 24 HA ILE 24 5.852 3.660 -6.847 180 HB ILE 24 HB ILE 24 5.037 4.317 -4.480 181 2HG1 ILE 24 2HG1 ILE 24 7.561 3.870 -3.697 182 1HG2 ILE 24 1HG2 ILE 24 5.342 1.377 -4.616 183 2HG2 ILE 24 2HG2 ILE 24 3.880 2.384 -4.478 184 3HG2 ILE 24 3HG2 ILE 24 4.661 2.160 -6.062 185 1HD1 ILE 24 1HD1 ILE 24 5.428 2.884 -1.817 186 2HD1 ILE 24 2HD1 ILE 24 6.741 4.052 -1.530 187 3HD1 ILE 24 3HD1 ILE 24 5.290 4.547 -2.436 188 H ILE 25 H ILE 25 8.396 5.073 -4.702 189 HA ILE 25 HA ILE 25 7.674 7.687 -5.833 190 HB ILE 25 HB ILE 25 9.306 7.669 -3.406 191 2HG1 ILE 25 2HG1 ILE 25 8.047 5.760 -2.750 192 1HG2 ILE 25 1HG2 ILE 25 8.388 9.684 -3.168 193 2HG2 ILE 25 2HG2 ILE 25 7.701 9.445 -4.794 194 3HG2 ILE 25 3HG2 ILE 25 6.735 9.047 -3.354 195 1HD1 ILE 25 1HD1 ILE 25 7.669 8.325 -1.511 196 2HD1 ILE 25 2HD1 ILE 25 6.131 7.437 -1.407 197 3HD1 ILE 25 3HD1 ILE 25 7.617 6.718 -0.747 198 H ARG 26 H ARG 26 10.296 5.384 -4.986 199 HA ARG 26 HA ARG 26 12.408 5.336 -5.495 200 2HB ARG 26 2HB ARG 26 12.498 4.798 -7.706 201 2HG ARG 26 2HG ARG 26 10.075 6.428 -8.441 202 2HD ARG 26 2HD ARG 26 11.246 3.707 -9.044 203 HE ARG 26 HE ARG 26 8.538 3.884 -8.464 204 1HH1 ARG 26 1HH1 ARG 26 7.161 1.958 -11.027 205 2HH1 ARG 26 2HH1 ARG 26 6.910 2.615 -9.445 206 1HH2 ARG 26 1HH2 ARG 26 9.152 2.365 -12.152 207 2HH2 ARG 26 2HH2 ARG 26 10.385 3.325 -11.408 208 H ILE 27 H ILE 27 11.133 8.096 -4.629 209 HA ILE 27 HA ILE 27 13.475 9.698 -5.392 210 HB ILE 27 HB ILE 27 10.663 10.685 -4.904 211 2HG1 ILE 27 2HG1 ILE 27 11.676 9.421 -7.191 212 1HG2 ILE 27 1HG2 ILE 27 12.235 12.350 -4.223 213 2HG2 ILE 27 2HG2 ILE 27 13.217 12.109 -5.688 214 3HG2 ILE 27 3HG2 ILE 27 11.592 12.826 -5.814 215 1HD1 ILE 27 1HD1 ILE 27 9.451 11.420 -7.440 216 2HD1 ILE 27 2HD1 ILE 27 9.510 9.717 -7.954 217 3HD1 ILE 27 3HD1 ILE 27 9.247 10.120 -6.241 218 H ALA 28 H ALA 28 10.894 9.114 -2.918 219 HA ALA 28 HA ALA 28 10.975 9.131 -0.706 220 1HB ALA 28 1HB ALA 28 12.790 8.116 0.166 221 2HB ALA 28 2HB ALA 28 13.480 8.169 -1.473 222 3HB ALA 28 3HB ALA 28 13.860 9.458 -0.307 223 H GLY 29 H GLY 29 10.550 11.541 -2.167 224 1HA GLY 29 1HA GLY 29 11.950 13.766 -1.701 225 2HA GLY 29 2HA GLY 29 10.205 13.704 -1.562 Start of MODEL 30 1 H ARG 1 H ARG 1 -11.978 11.102 0.488 2 HA ARG 1 HA ARG 1 -14.385 11.883 0.781 3 2HB ARG 1 2HB ARG 1 -14.880 8.898 0.469 4 2HG ARG 1 2HG ARG 1 -16.498 11.391 0.846 5 2HD ARG 1 2HD ARG 1 -18.212 9.319 -0.227 6 HE ARG 1 HE ARG 1 -18.175 12.075 -0.236 7 1HH1 ARG 1 1HH1 ARG 1 -19.941 12.834 -3.150 8 2HH1 ARG 1 2HH1 ARG 1 -19.418 13.418 -1.604 9 1HH2 ARG 1 1HH2 ARG 1 -19.380 10.686 -3.828 10 2HH2 ARG 1 2HH2 ARG 1 -18.437 9.667 -2.790 11 H GLY 2 H GLY 2 -15.638 10.780 2.810 12 1HA GLY 2 1HA GLY 2 -13.564 10.251 4.776 13 2HA GLY 2 2HA GLY 2 -15.254 10.601 5.068 14 H LEU 3 H LEU 3 -16.887 8.878 4.640 15 HA LEU 3 HA LEU 3 -16.389 6.550 5.866 16 2HB LEU 3 2HB LEU 3 -18.599 7.071 5.421 17 HG LEU 3 HG LEU 3 -19.466 6.866 2.957 18 1HD1 LEU 3 1HD1 LEU 3 -18.231 9.523 3.332 19 2HD1 LEU 3 2HD1 LEU 3 -19.932 9.063 3.088 20 3HD1 LEU 3 3HD1 LEU 3 -19.195 8.921 4.702 21 1HD2 LEU 3 1HD2 LEU 3 -17.245 6.323 2.005 22 2HD2 LEU 3 2HD2 LEU 3 -17.993 7.758 1.265 23 3HD2 LEU 3 3HD2 LEU 3 -16.683 7.951 2.453 24 H ARG 4 H ARG 4 -15.922 4.349 5.222 25 HA ARG 4 HA ARG 4 -14.448 2.981 4.365 26 2HB ARG 4 2HB ARG 4 -14.875 3.008 1.614 27 2HG ARG 4 2HG ARG 4 -15.925 1.599 3.955 28 2HD ARG 4 2HD ARG 4 -17.893 2.560 1.995 29 HE ARG 4 HE ARG 4 -17.129 -0.078 1.478 30 1HH1 ARG 4 1HH1 ARG 4 -20.242 -1.507 0.807 31 2HH1 ARG 4 2HH1 ARG 4 -18.527 -1.659 0.604 32 1HH2 ARG 4 1HH2 ARG 4 -21.116 0.304 1.968 33 2HH2 ARG 4 2HH2 ARG 4 -20.054 1.502 2.630 34 H ARG 5 H ARG 5 -12.425 4.062 4.805 35 HA ARG 5 HA ARG 5 -10.739 4.370 2.761 36 2HB ARG 5 2HB ARG 5 -10.697 7.153 3.196 37 2HG ARG 5 2HG ARG 5 -11.334 5.278 0.993 38 2HD ARG 5 2HD ARG 5 -12.957 7.701 1.332 39 HE ARG 5 HE ARG 5 -10.876 8.262 -0.346 40 1HH1 ARG 5 1HH1 ARG 5 -12.428 9.593 -3.176 41 2HH1 ARG 5 2HH1 ARG 5 -10.956 9.502 -2.265 42 1HH2 ARG 5 1HH2 ARG 5 -14.316 8.458 -2.445 43 2HH2 ARG 5 2HH2 ARG 5 -14.254 7.519 -0.990 44 H LEU 6 H LEU 6 -11.875 5.377 5.953 45 HA LEU 6 HA LEU 6 -9.344 6.296 6.881 46 2HB LEU 6 2HB LEU 6 -10.492 6.166 9.108 47 HG LEU 6 HG LEU 6 -11.732 7.714 6.847 48 1HD1 LEU 6 1HD1 LEU 6 -12.641 8.619 9.447 49 2HD1 LEU 6 2HD1 LEU 6 -13.567 8.279 7.966 50 3HD1 LEU 6 3HD1 LEU 6 -13.193 6.961 9.103 51 1HD2 LEU 6 1HD2 LEU 6 -10.726 9.611 7.887 52 2HD2 LEU 6 2HD2 LEU 6 -10.302 8.669 9.337 53 3HD2 LEU 6 3HD2 LEU 6 -9.494 8.331 7.788 54 H GLY 7 H GLY 7 -11.291 3.266 7.291 55 1HA GLY 7 1HA GLY 7 -9.587 1.873 8.942 56 2HA GLY 7 2HA GLY 7 -10.645 1.160 7.741 57 H ARG 8 H ARG 8 -9.797 0.316 5.826 58 HA ARG 8 HA ARG 8 -7.074 0.992 5.195 59 2HB ARG 8 2HB ARG 8 -6.819 -1.677 4.829 60 2HG ARG 8 2HG ARG 8 -6.119 0.196 6.973 61 2HD ARG 8 2HD ARG 8 -6.788 -2.670 7.681 62 HE ARG 8 HE ARG 8 -4.618 -2.816 8.557 63 1HH1 ARG 8 1HH1 ARG 8 -2.830 -0.591 10.562 64 2HH1 ARG 8 2HH1 ARG 8 -2.868 -2.184 9.884 65 1HH2 ARG 8 1HH2 ARG 8 -4.552 0.901 10.123 66 2HH2 ARG 8 2HH2 ARG 8 -5.878 0.421 9.118 67 H LYS 9 H LYS 9 -8.416 2.035 3.434 68 HA LYS 9 HA LYS 9 -9.037 0.046 1.369 69 2HB LYS 9 2HB LYS 9 -10.660 2.520 2.038 70 2HG LYS 9 2HG LYS 9 -10.308 1.257 -0.456 71 2HD LYS 9 2HD LYS 9 -12.128 -0.326 1.068 72 2HE LYS 9 2HE LYS 9 -13.570 1.119 -1.195 73 1HZ LYS 9 1HZ LYS 9 -15.442 0.046 -0.137 74 2HZ LYS 9 2HZ LYS 9 -14.339 -1.065 -0.605 75 3HZ LYS 9 3HZ LYS 9 -14.467 -0.655 0.970 76 H ILE 10 H ILE 10 -8.098 3.420 2.224 77 HA ILE 10 HA ILE 10 -7.554 4.407 -0.248 78 HB ILE 10 HB ILE 10 -5.967 4.800 2.292 79 2HG1 ILE 10 2HG1 ILE 10 -8.508 5.154 2.352 80 1HG2 ILE 10 1HG2 ILE 10 -5.543 7.079 1.240 81 2HG2 ILE 10 2HG2 ILE 10 -4.658 5.697 0.552 82 3HG2 ILE 10 3HG2 ILE 10 -6.081 6.354 -0.294 83 1HD1 ILE 10 1HD1 ILE 10 -6.910 6.151 3.998 84 2HD1 ILE 10 2HD1 ILE 10 -6.677 7.536 2.905 85 3HD1 ILE 10 3HD1 ILE 10 -8.271 7.241 3.643 86 H ALA 11 H ALA 11 -5.338 2.428 1.837 87 HA ALA 11 HA ALA 11 -4.240 1.175 -0.468 88 1HB ALA 11 1HB ALA 11 -1.891 2.230 0.654 89 2HB ALA 11 2HB ALA 11 -2.614 2.668 -0.912 90 3HB ALA 11 3HB ALA 11 -3.001 3.617 0.544 91 H HIS 12 H HIS 12 -2.142 -0.143 0.387 92 HA HIS 12 HA HIS 12 -2.467 -0.825 3.176 93 2HB HIS 12 2HB HIS 12 -4.048 -2.207 1.564 94 HD1 HIS 12 1HD HIS 12 -0.499 -2.609 0.819 95 HD2 HIS 12 2HD HIS 12 -3.904 -5.053 0.681 96 HE1 HIS 12 1HE HIS 12 0.098 -4.581 -0.686 97 H GLY 13 H GLY 13 -0.863 -1.379 -0.005 98 1HA GLY 13 1HA GLY 13 1.511 -2.469 1.214 99 2HA GLY 13 2HA GLY 13 1.245 -2.096 -0.477 100 H VAL 14 H VAL 14 0.199 0.710 0.597 101 HA VAL 14 HA VAL 14 2.621 2.060 0.099 102 HB VAL 14 HB VAL 14 0.156 2.746 -0.273 103 1HG1 VAL 14 1HG1 VAL 14 -0.441 2.456 2.163 104 2HG1 VAL 14 2HG1 VAL 14 0.517 3.919 2.500 105 3HG1 VAL 14 3HG1 VAL 14 -0.915 4.016 1.447 106 1HG2 VAL 14 1HG2 VAL 14 1.425 5.147 0.800 107 2HG2 VAL 14 2HG2 VAL 14 2.559 4.154 -0.148 108 3HG2 VAL 14 3HG2 VAL 14 1.037 4.712 -0.883 109 H LYS 15 H LYS 15 0.960 0.908 3.025 110 HA LYS 15 HA LYS 15 2.313 2.521 4.865 111 2HB LYS 15 2HB LYS 15 1.752 0.256 6.269 112 2HG LYS 15 2HG LYS 15 -0.597 1.948 5.469 113 2HD LYS 15 2HD LYS 15 0.710 1.438 8.179 114 2HE LYS 15 2HE LYS 15 -2.119 2.266 7.365 115 1HZ LYS 15 1HZ LYS 15 -1.231 2.465 10.075 116 2HZ LYS 15 2HZ LYS 15 -2.663 1.949 9.482 117 3HZ LYS 15 3HZ LYS 15 -1.391 0.929 9.545 118 H LYS 16 H LYS 16 3.313 -0.211 2.906 119 HA LYS 16 HA LYS 16 5.753 -0.423 4.526 120 2HB LYS 16 2HB LYS 16 5.288 -2.605 4.475 121 2HG LYS 16 2HG LYS 16 3.563 -3.596 2.926 122 2HD LYS 16 2HD LYS 16 1.990 -1.303 3.782 123 2HE LYS 16 2HE LYS 16 1.799 -4.067 3.841 124 1HZ LYS 16 1HZ LYS 16 2.738 -3.114 6.382 125 2HZ LYS 16 2HZ LYS 16 1.431 -4.088 6.449 126 3HZ LYS 16 3HZ LYS 16 2.806 -4.614 5.743 127 H TYR 17 H TYR 17 4.378 0.028 1.237 128 HA TYR 17 HA TYR 17 6.992 0.308 0.069 129 2HB TYR 17 2HB TYR 17 5.189 1.235 -1.770 130 HD1 TYR 17 1HD TYR 17 4.852 -0.212 -3.642 131 HD2 TYR 17 2HD TYR 17 5.848 -1.859 0.178 132 HE1 TYR 17 1HE TYR 17 5.272 -2.476 -4.720 133 HE2 TYR 17 2HE TYR 17 6.265 -4.117 -0.914 134 HH TYR 17 HH TYR 17 5.213 -5.181 -3.306 135 H GLY 18 H GLY 18 4.220 2.464 0.958 136 1HA GLY 18 1HA GLY 18 5.047 4.844 -0.078 137 2HA GLY 18 2HA GLY 18 4.190 4.665 1.438 138 HA PRO 19 HA PRO 19 7.850 5.437 3.698 139 2HB PRO 19 2HB PRO 19 7.134 4.521 5.686 140 2HG PRO 19 2HG PRO 19 5.640 2.780 5.459 141 2HD PRO 19 2HD PRO 19 4.763 3.261 3.388 142 H THR 20 H THR 20 8.126 2.232 2.318 143 HA THR 20 HA THR 20 10.993 2.784 1.945 144 HB THR 20 HB THR 20 10.027 0.714 3.286 145 HG1 THR 20 1HG THR 20 12.176 0.431 2.804 146 1HG2 THR 20 1HG2 THR 20 8.683 0.233 0.898 147 2HG2 THR 20 2HG2 THR 20 10.162 -0.736 0.693 148 3HG2 THR 20 3HG2 THR 20 9.097 -1.021 2.090 149 H VAL 21 H VAL 21 9.655 4.289 0.248 150 HA VAL 21 HA VAL 21 8.655 3.112 -2.044 151 HB VAL 21 HB VAL 21 8.923 5.242 -3.047 152 1HG1 VAL 21 1HG1 VAL 21 8.642 6.352 -0.348 153 2HG1 VAL 21 2HG1 VAL 21 7.472 6.279 -1.687 154 3HG1 VAL 21 3HG1 VAL 21 7.675 4.878 -0.607 155 1HG2 VAL 21 1HG2 VAL 21 11.247 5.472 -1.204 156 2HG2 VAL 21 2HG2 VAL 21 11.040 6.050 -2.875 157 3HG2 VAL 21 3HG2 VAL 21 10.330 6.966 -1.524 158 H LEU 22 H LEU 22 10.485 4.486 -4.009 159 HA LEU 22 HA LEU 22 12.399 4.144 -5.111 160 2HB LEU 22 2HB LEU 22 14.256 3.040 -4.219 161 HG LEU 22 HG LEU 22 12.697 4.602 -2.285 162 1HD1 LEU 22 1HD1 LEU 22 13.487 3.854 -0.289 163 2HD1 LEU 22 2HD1 LEU 22 13.427 2.299 -1.156 164 3HD1 LEU 22 3HD1 LEU 22 14.971 3.172 -0.997 165 1HD2 LEU 22 1HD2 LEU 22 15.574 4.478 -3.193 166 2HD2 LEU 22 2HD2 LEU 22 14.351 5.733 -3.518 167 3HD2 LEU 22 3HD2 LEU 22 15.026 5.551 -1.882 168 H ARG 23 H ARG 23 12.548 2.991 -6.995 169 HA ARG 23 HA ARG 23 11.911 1.585 -8.519 170 2HB ARG 23 2HB ARG 23 12.109 -0.970 -7.654 171 2HG ARG 23 2HG ARG 23 14.748 -0.410 -7.536 172 2HD ARG 23 2HD ARG 23 12.964 -0.137 -10.004 173 HE ARG 23 HE ARG 23 15.815 0.210 -9.796 174 1HH1 ARG 23 1HH1 ARG 23 16.493 -0.505 -13.145 175 2HH1 ARG 23 2HH1 ARG 23 17.106 0.194 -11.683 176 1HH2 ARG 23 1HH2 ARG 23 14.362 -1.425 -13.186 177 2HH2 ARG 23 2HH2 ARG 23 13.385 -1.412 -11.757 178 H ILE 24 H ILE 24 9.878 2.401 -6.226 179 HA ILE 24 HA ILE 24 7.782 0.616 -7.190 180 HB ILE 24 HB ILE 24 6.867 0.411 -4.918 181 2HG1 ILE 24 2HG1 ILE 24 8.303 2.497 -4.159 182 1HG2 ILE 24 1HG2 ILE 24 8.633 -1.177 -6.106 183 2HG2 ILE 24 2HG2 ILE 24 9.622 -0.709 -4.703 184 3HG2 ILE 24 3HG2 ILE 24 8.040 -1.486 -4.456 185 1HD1 ILE 24 1HD1 ILE 24 6.937 1.921 -2.426 186 2HD1 ILE 24 2HD1 ILE 24 7.127 0.179 -2.742 187 3HD1 ILE 24 3HD1 ILE 24 8.354 1.049 -1.791 188 H ILE 25 H ILE 25 8.627 3.549 -5.233 189 HA ILE 25 HA ILE 25 6.311 4.843 -6.501 190 HB ILE 25 HB ILE 25 7.282 5.966 -3.967 191 2HG1 ILE 25 2HG1 ILE 25 7.549 3.884 -3.051 192 1HG2 ILE 25 1HG2 ILE 25 5.324 6.843 -5.096 193 2HG2 ILE 25 2HG2 ILE 25 4.548 5.243 -5.057 194 3HG2 ILE 25 3HG2 ILE 25 4.857 6.119 -3.539 195 1HD1 ILE 25 1HD1 ILE 25 5.566 5.070 -1.968 196 2HD1 ILE 25 2HD1 ILE 25 4.505 4.053 -2.972 197 3HD1 ILE 25 3HD1 ILE 25 5.581 3.302 -1.769 198 H ARG 26 H ARG 26 9.747 4.909 -5.625 199 HA ARG 26 HA ARG 26 11.328 6.368 -5.985 200 2HB ARG 26 2HB ARG 26 11.811 6.568 -8.258 201 2HG ARG 26 2HG ARG 26 9.513 5.061 -9.211 202 2HD ARG 26 2HD ARG 26 11.241 3.264 -9.439 203 HE ARG 26 HE ARG 26 12.677 5.678 -10.328 204 1HH1 ARG 26 1HH1 ARG 26 11.386 5.415 -13.560 205 2HH1 ARG 26 2HH1 ARG 26 12.552 6.202 -12.550 206 1HH2 ARG 26 1HH2 ARG 26 9.952 3.830 -12.658 207 2HH2 ARG 26 2HH2 ARG 26 10.046 3.433 -10.976 208 H ILE 27 H ILE 27 8.611 7.484 -4.978 209 HA ILE 27 HA ILE 27 9.155 10.281 -5.696 210 HB ILE 27 HB ILE 27 6.499 8.940 -5.193 211 2HG1 ILE 27 2HG1 ILE 27 7.996 9.182 -7.545 212 1HG2 ILE 27 1HG2 ILE 27 6.234 11.633 -6.109 213 2HG2 ILE 27 2HG2 ILE 27 5.645 10.896 -4.599 214 3HG2 ILE 27 3HG2 ILE 27 7.270 11.621 -4.661 215 1HD1 ILE 27 1HD1 ILE 27 5.037 9.000 -7.810 216 2HD1 ILE 27 2HD1 ILE 27 6.301 7.875 -8.364 217 3HD1 ILE 27 3HD1 ILE 27 5.762 7.845 -6.668 218 H ALA 28 H ALA 28 7.687 8.086 -3.202 219 HA ALA 28 HA ALA 28 7.878 8.079 -0.994 220 1HB ALA 28 1HB ALA 28 9.926 8.555 -0.153 221 2HB ALA 28 2HB ALA 28 10.359 8.949 -1.834 222 3HB ALA 28 3HB ALA 28 9.866 10.243 -0.717 223 H GLY 29 H GLY 29 5.927 9.681 -2.366 224 1HA GLY 29 1HA GLY 29 4.656 11.573 -2.160 225 2HA GLY 29 2HA GLY 29 4.570 10.973 -0.517 Start of MODEL 31 1 H ARG 1 H ARG 1 -6.890 5.069 -5.754 2 HA ARG 1 HA ARG 1 -8.968 5.903 -6.054 3 2HB ARG 1 2HB ARG 1 -10.362 3.845 -7.534 4 2HG ARG 1 2HG ARG 1 -9.501 6.390 -8.866 5 2HD ARG 1 2HD ARG 1 -12.328 6.161 -8.552 6 HE ARG 1 HE ARG 1 -10.400 5.998 -10.768 7 1HH1 ARG 1 1HH1 ARG 1 -12.855 6.677 -13.153 8 2HH1 ARG 1 2HH1 ARG 1 -11.155 6.544 -12.856 9 1HH2 ARG 1 1HH2 ARG 1 -14.369 6.301 -11.433 10 2HH2 ARG 1 2HH2 ARG 1 -13.796 5.889 -9.851 11 H GLY 2 H GLY 2 -11.287 4.931 -5.380 12 1HA GLY 2 1HA GLY 2 -12.170 2.761 -4.444 13 2HA GLY 2 2HA GLY 2 -10.743 2.779 -3.426 14 H LEU 3 H LEU 3 -13.086 2.703 -2.078 15 HA LEU 3 HA LEU 3 -14.370 5.116 -1.616 16 2HB LEU 3 2HB LEU 3 -14.220 3.456 0.745 17 HG LEU 3 HG LEU 3 -16.572 3.128 0.443 18 1HD1 LEU 3 1HD1 LEU 3 -16.140 5.250 1.358 19 2HD1 LEU 3 2HD1 LEU 3 -15.627 5.921 -0.208 20 3HD1 LEU 3 3HD1 LEU 3 -17.342 5.532 0.076 21 1HD2 LEU 3 1HD2 LEU 3 -17.421 2.768 -1.573 22 2HD2 LEU 3 2HD2 LEU 3 -17.257 4.508 -1.913 23 3HD2 LEU 3 3HD2 LEU 3 -15.946 3.387 -2.353 24 H ARG 4 H ARG 4 -14.174 5.518 1.213 25 HA ARG 4 HA ARG 4 -11.513 5.908 1.951 26 2HB ARG 4 2HB ARG 4 -13.033 8.308 0.843 27 2HG ARG 4 2HG ARG 4 -10.539 9.160 1.913 28 2HD ARG 4 2HD ARG 4 -12.912 9.775 3.569 29 HE ARG 4 HE ARG 4 -10.680 11.173 2.437 30 1HH1 ARG 4 1HH1 ARG 4 -11.807 14.384 3.206 31 2HH1 ARG 4 2HH1 ARG 4 -10.439 13.423 2.755 32 1HH2 ARG 4 1HH2 ARG 4 -13.884 13.389 3.488 33 2HH2 ARG 4 2HH2 ARG 4 -14.067 11.683 3.246 34 H ARG 5 H ARG 5 -12.602 4.778 3.765 35 HA ARG 5 HA ARG 5 -13.381 6.577 5.743 36 2HB ARG 5 2HB ARG 5 -15.664 4.695 5.350 37 2HG ARG 5 2HG ARG 5 -15.644 7.720 5.737 38 2HD ARG 5 2HD ARG 5 -17.635 5.518 6.472 39 HE ARG 5 HE ARG 5 -17.414 8.299 7.380 40 1HH1 ARG 5 1HH1 ARG 5 -20.505 8.200 8.996 41 2HH1 ARG 5 2HH1 ARG 5 -19.029 9.081 8.795 42 1HH2 ARG 5 1HH2 ARG 5 -20.843 6.222 7.828 43 2HH2 ARG 5 2HH2 ARG 5 -19.618 5.628 6.758 44 H LEU 6 H LEU 6 -13.343 3.241 4.422 45 HA LEU 6 HA LEU 6 -13.458 1.945 6.930 46 2HB LEU 6 2HB LEU 6 -12.605 -0.005 5.578 47 HG LEU 6 HG LEU 6 -15.077 1.501 4.772 48 1HD1 LEU 6 1HD1 LEU 6 -13.857 0.173 2.823 49 2HD1 LEU 6 2HD1 LEU 6 -14.636 -1.216 3.619 50 3HD1 LEU 6 3HD1 LEU 6 -15.626 0.140 3.028 51 1HD2 LEU 6 1HD2 LEU 6 -15.655 0.418 6.665 52 2HD2 LEU 6 2HD2 LEU 6 -15.886 -0.952 5.552 53 3HD2 LEU 6 3HD2 LEU 6 -14.378 -0.810 6.488 54 H GLY 7 H GLY 7 -11.115 3.959 5.543 55 1HA GLY 7 1HA GLY 7 -9.068 4.528 6.317 56 2HA GLY 7 2HA GLY 7 -9.214 3.325 7.582 57 H ARG 8 H ARG 8 -9.410 0.900 6.393 58 HA ARG 8 HA ARG 8 -6.834 0.697 5.170 59 2HB ARG 8 2HB ARG 8 -7.162 -1.752 5.459 60 2HG ARG 8 2HG ARG 8 -8.096 -0.089 7.844 61 2HD ARG 8 2HD ARG 8 -6.642 -2.667 8.243 62 HE ARG 8 HE ARG 8 -8.240 -0.924 9.809 63 1HH1 ARG 8 1HH1 ARG 8 -9.097 -3.184 12.328 64 2HH1 ARG 8 2HH1 ARG 8 -8.985 -1.512 11.889 65 1HH2 ARG 8 1HH2 ARG 8 -8.490 -4.828 10.804 66 2HH2 ARG 8 2HH2 ARG 8 -7.924 -4.380 9.228 67 H LYS 9 H LYS 9 -8.486 2.081 3.431 68 HA LYS 9 HA LYS 9 -9.051 0.055 1.384 69 2HB LYS 9 2HB LYS 9 -10.668 2.551 1.970 70 2HG LYS 9 2HG LYS 9 -10.392 0.866 -0.406 71 2HD LYS 9 2HD LYS 9 -13.271 1.258 0.388 72 2HE LYS 9 2HE LYS 9 -11.771 -0.822 -1.275 73 1HZ LYS 9 1HZ LYS 9 -13.727 -1.826 -1.555 74 2HZ LYS 9 2HZ LYS 9 -14.113 -1.167 -0.111 75 3HZ LYS 9 3HZ LYS 9 -14.609 -0.451 -1.493 76 H ILE 10 H ILE 10 -8.106 3.439 2.189 77 HA ILE 10 HA ILE 10 -7.532 4.384 -0.290 78 HB ILE 10 HB ILE 10 -5.960 4.799 2.256 79 2HG1 ILE 10 2HG1 ILE 10 -8.499 5.177 2.289 80 1HG2 ILE 10 1HG2 ILE 10 -5.988 7.141 0.706 81 2HG2 ILE 10 2HG2 ILE 10 -4.605 6.074 1.051 82 3HG2 ILE 10 3HG2 ILE 10 -5.581 5.821 -0.415 83 1HD1 ILE 10 1HD1 ILE 10 -6.313 6.635 3.400 84 2HD1 ILE 10 2HD1 ILE 10 -7.520 7.839 2.892 85 3HD1 ILE 10 3HD1 ILE 10 -7.979 6.539 4.019 86 H ALA 11 H ALA 11 -5.360 2.400 1.833 87 HA ALA 11 HA ALA 11 -4.257 1.101 -0.435 88 1HB ALA 11 1HB ALA 11 -1.888 1.950 0.066 89 2HB ALA 11 2HB ALA 11 -2.974 3.079 -0.780 90 3HB ALA 11 3HB ALA 11 -2.667 3.276 0.963 91 H HIS 12 H HIS 12 -2.171 -0.211 0.446 92 HA HIS 12 HA HIS 12 -2.490 -0.817 3.254 93 2HB HIS 12 2HB HIS 12 -4.090 -2.228 1.691 94 HD1 HIS 12 1HD HIS 12 -0.550 -2.677 0.930 95 HD2 HIS 12 2HD HIS 12 -3.981 -5.088 0.862 96 HE1 HIS 12 1HE HIS 12 0.018 -4.686 -0.538 97 H GLY 13 H GLY 13 -0.903 -1.465 0.082 98 1HA GLY 13 1HA GLY 13 1.467 -2.545 1.319 99 2HA GLY 13 2HA GLY 13 1.197 -2.211 -0.381 100 H VAL 14 H VAL 14 0.180 0.629 0.623 101 HA VAL 14 HA VAL 14 2.607 1.947 0.082 102 HB VAL 14 HB VAL 14 0.155 2.651 -0.294 103 1HG1 VAL 14 1HG1 VAL 14 -0.816 4.077 1.444 104 2HG1 VAL 14 2HG1 VAL 14 -0.577 2.417 2.047 105 3HG1 VAL 14 3HG1 VAL 14 0.549 3.709 2.526 106 1HG2 VAL 14 1HG2 VAL 14 2.132 4.685 0.794 107 2HG2 VAL 14 2HG2 VAL 14 2.141 4.016 -0.855 108 3HG2 VAL 14 3HG2 VAL 14 0.770 5.009 -0.304 109 H LYS 15 H LYS 15 0.960 0.880 3.046 110 HA LYS 15 HA LYS 15 2.343 2.519 4.839 111 2HB LYS 15 2HB LYS 15 1.638 -0.131 5.862 112 2HG LYS 15 2HG LYS 15 0.621 2.711 6.330 113 2HD LYS 15 2HD LYS 15 0.326 0.493 8.339 114 2HE LYS 15 2HE LYS 15 -1.945 2.283 7.814 115 1HZ LYS 15 1HZ LYS 15 -1.848 1.306 9.866 116 2HZ LYS 15 2HZ LYS 15 -0.244 1.536 10.058 117 3HZ LYS 15 3HZ LYS 15 -1.271 2.795 10.208 118 H LYS 16 H LYS 16 3.296 -0.277 2.944 119 HA LYS 16 HA LYS 16 5.749 -0.474 4.546 120 2HB LYS 16 2HB LYS 16 5.265 -2.651 4.540 121 2HG LYS 16 2HG LYS 16 3.517 -3.655 3.025 122 2HD LYS 16 2HD LYS 16 1.973 -1.334 3.857 123 2HE LYS 16 2HE LYS 16 2.359 -4.166 4.926 124 1HZ LYS 16 1HZ LYS 16 0.265 -2.254 5.675 125 2HZ LYS 16 2HZ LYS 16 0.526 -3.740 6.300 126 3HZ LYS 16 3HZ LYS 16 1.583 -2.531 6.599 127 H TYR 17 H TYR 17 4.358 -0.070 1.259 128 HA TYR 17 HA TYR 17 6.968 0.169 0.073 129 2HB TYR 17 2HB TYR 17 5.161 1.065 -1.777 130 HD1 TYR 17 1HD TYR 17 4.997 -0.374 -3.640 131 HD2 TYR 17 2HD TYR 17 5.642 -2.035 0.249 132 HE1 TYR 17 1HE TYR 17 5.407 -2.657 -4.677 133 HE2 TYR 17 2HE TYR 17 6.051 -4.314 -0.802 134 HH TYR 17 HH TYR 17 6.569 -5.328 -2.752 135 H GLY 18 H GLY 18 4.209 2.355 0.923 136 1HA GLY 18 1HA GLY 18 5.033 4.709 -0.167 137 2HA GLY 18 2HA GLY 18 4.197 4.565 1.367 138 HA PRO 19 HA PRO 19 7.888 5.389 3.555 139 2HB PRO 19 2HB PRO 19 7.183 4.548 5.580 140 2HG PRO 19 2HG PRO 19 5.666 2.817 5.428 141 2HD PRO 19 2HD PRO 19 4.774 3.237 3.351 142 H THR 20 H THR 20 8.087 2.183 2.190 143 HA THR 20 HA THR 20 10.991 2.451 2.050 144 HB THR 20 HB THR 20 9.394 0.335 2.684 145 HG1 THR 20 1HG THR 20 11.665 0.186 2.791 146 1HG2 THR 20 1HG2 THR 20 8.858 0.557 -0.052 147 2HG2 THR 20 2HG2 THR 20 10.224 -0.584 -0.013 148 3HG2 THR 20 3HG2 THR 20 8.735 -0.948 0.891 149 H VAL 21 H VAL 21 9.265 4.309 0.539 150 HA VAL 21 HA VAL 21 8.634 4.037 -1.919 151 HB VAL 21 HB VAL 21 8.964 6.214 -1.849 152 1HG1 VAL 21 1HG1 VAL 21 9.204 6.319 0.466 153 2HG1 VAL 21 2HG1 VAL 21 10.787 5.505 0.443 154 3HG1 VAL 21 3HG1 VAL 21 10.645 7.189 -0.117 155 1HG2 VAL 21 1HG2 VAL 21 10.931 7.162 -2.699 156 2HG2 VAL 21 2HG2 VAL 21 11.968 5.926 -1.947 157 3HG2 VAL 21 3HG2 VAL 21 10.950 5.504 -3.346 158 H LEU 22 H LEU 22 9.198 2.161 -3.032 159 HA LEU 22 HA LEU 22 11.905 2.212 -4.121 160 2HB LEU 22 2HB LEU 22 10.617 -0.105 -2.691 161 HG LEU 22 HG LEU 22 11.901 -0.587 -5.003 162 1HD1 LEU 22 1HD1 LEU 22 14.000 0.251 -4.802 163 2HD1 LEU 22 2HD1 LEU 22 14.020 0.094 -3.029 164 3HD1 LEU 22 3HD1 LEU 22 14.284 -1.339 -4.052 165 1HD2 LEU 22 1HD2 LEU 22 10.909 -2.101 -3.065 166 2HD2 LEU 22 2HD2 LEU 22 11.949 -2.769 -4.344 167 3HD2 LEU 22 3HD2 LEU 22 12.635 -2.395 -2.746 168 H ARG 23 H ARG 23 11.804 2.167 -6.300 169 HA ARG 23 HA ARG 23 10.955 2.066 -8.292 170 2HB ARG 23 2HB ARG 23 9.617 -0.243 -8.701 171 2HG ARG 23 2HG ARG 23 12.045 -1.375 -8.345 172 2HD ARG 23 2HD ARG 23 12.746 -0.250 -10.534 173 HE ARG 23 HE ARG 23 10.392 -1.873 -10.104 174 1HH1 ARG 23 1HH1 ARG 23 9.968 -2.693 -13.469 175 2HH1 ARG 23 2HH1 ARG 23 9.535 -3.088 -11.840 176 1HH2 ARG 23 1HH2 ARG 23 11.416 -0.928 -13.890 177 2HH2 ARG 23 2HH2 ARG 23 12.065 -0.008 -12.573 178 H ILE 24 H ILE 24 9.137 2.992 -5.893 179 HA ILE 24 HA ILE 24 6.635 2.920 -7.432 180 HB ILE 24 HB ILE 24 5.608 3.228 -5.065 181 2HG1 ILE 24 2HG1 ILE 24 8.153 3.233 -4.203 182 1HG2 ILE 24 1HG2 ILE 24 6.603 0.448 -5.574 183 2HG2 ILE 24 2HG2 ILE 24 4.983 1.015 -5.103 184 3HG2 ILE 24 3HG2 ILE 24 5.555 1.240 -6.773 185 1HD1 ILE 24 1HD1 ILE 24 5.515 2.565 -3.019 186 2HD1 ILE 24 2HD1 ILE 24 6.908 1.971 -2.084 187 3HD1 ILE 24 3HD1 ILE 24 6.758 3.706 -2.454 188 H ILE 25 H ILE 25 8.527 4.708 -4.900 189 HA ILE 25 HA ILE 25 7.414 7.171 -6.051 190 HB ILE 25 HB ILE 25 8.644 7.366 -3.409 191 2HG1 ILE 25 2HG1 ILE 25 7.830 5.221 -2.916 192 1HG2 ILE 25 1HG2 ILE 25 7.083 8.982 -3.103 193 2HG2 ILE 25 2HG2 ILE 25 7.034 8.924 -4.882 194 3HG2 ILE 25 3HG2 ILE 25 5.802 8.062 -3.929 195 1HD1 ILE 25 1HD1 ILE 25 6.517 5.762 -1.132 196 2HD1 ILE 25 2HD1 ILE 25 6.704 7.440 -1.693 197 3HD1 ILE 25 3HD1 ILE 25 5.268 6.499 -2.166 198 H ARG 26 H ARG 26 10.325 5.380 -5.010 199 HA ARG 26 HA ARG 26 12.452 5.857 -5.142 200 2HB ARG 26 2HB ARG 26 13.081 5.625 -7.334 201 2HG ARG 26 2HG ARG 26 10.358 6.203 -8.415 202 2HD ARG 26 2HD ARG 26 12.089 3.686 -8.405 203 HE ARG 26 HE ARG 26 9.471 3.854 -9.172 204 1HH1 ARG 26 1HH1 ARG 26 9.418 2.268 -12.280 205 2HH1 ARG 26 2HH1 ARG 26 8.478 2.747 -10.906 206 1HH2 ARG 26 1HH2 ARG 26 11.688 2.753 -12.358 207 2HH2 ARG 26 2HH2 ARG 26 12.440 3.592 -11.043 208 H ILE 27 H ILE 27 10.542 8.183 -4.312 209 HA ILE 27 HA ILE 27 12.495 10.331 -4.769 210 HB ILE 27 HB ILE 27 9.493 10.562 -4.544 211 2HG1 ILE 27 2HG1 ILE 27 11.047 9.869 -6.765 212 1HG2 ILE 27 1HG2 ILE 27 11.331 12.817 -5.278 213 2HG2 ILE 27 2HG2 ILE 27 9.680 12.861 -4.615 214 3HG2 ILE 27 3HG2 ILE 27 11.048 12.415 -3.569 215 1HD1 ILE 27 1HD1 ILE 27 8.979 9.669 -7.757 216 2HD1 ILE 27 2HD1 ILE 27 8.406 9.908 -6.088 217 3HD1 ILE 27 3HD1 ILE 27 8.453 11.282 -7.218 218 H ALA 28 H ALA 28 9.897 9.060 -2.579 219 HA ALA 28 HA ALA 28 9.838 8.889 -0.368 220 1HB ALA 28 1HB ALA 28 11.803 8.624 0.831 221 2HB ALA 28 2HB ALA 28 12.406 8.383 -0.827 222 3HB ALA 28 3HB ALA 28 12.628 9.954 -0.017 223 H GLY 29 H GLY 29 8.696 11.083 -1.564 224 1HA GLY 29 1HA GLY 29 9.576 13.590 -0.681 225 2HA GLY 29 2HA GLY 29 7.945 13.161 -1.154 Start of MODEL 32 1 H ARG 1 H ARG 1 -17.935 -10.072 0.844 2 HA ARG 1 HA ARG 1 -16.603 -9.513 3.312 3 2HB ARG 1 2HB ARG 1 -14.681 -10.469 1.495 4 2HG ARG 1 2HG ARG 1 -16.126 -11.396 3.818 5 2HD ARG 1 2HD ARG 1 -15.413 -13.755 2.094 6 HE ARG 1 HE ARG 1 -16.220 -14.456 4.206 7 1HH1 ARG 1 1HH1 ARG 1 -19.422 -14.082 5.542 8 2HH1 ARG 1 2HH1 ARG 1 -17.900 -14.892 5.694 9 1HH2 ARG 1 1HH2 ARG 1 -19.757 -12.553 3.828 10 2HH2 ARG 1 2HH2 ARG 1 -18.485 -12.222 2.701 11 H GLY 2 H GLY 2 -16.774 -7.101 3.093 12 1HA GLY 2 1HA GLY 2 -14.497 -6.055 1.581 13 2HA GLY 2 2HA GLY 2 -16.081 -5.393 1.232 14 H LEU 3 H LEU 3 -14.222 -3.625 2.164 15 HA LEU 3 HA LEU 3 -14.886 -3.333 5.011 16 2HB LEU 3 2HB LEU 3 -12.828 -1.619 4.601 17 HG LEU 3 HG LEU 3 -12.940 -3.398 6.365 18 1HD1 LEU 3 1HD1 LEU 3 -12.781 -5.575 5.928 19 2HD1 LEU 3 2HD1 LEU 3 -13.002 -5.150 4.214 20 3HD1 LEU 3 3HD1 LEU 3 -11.362 -5.345 4.880 21 1HD2 LEU 3 1HD2 LEU 3 -10.281 -3.217 4.924 22 2HD2 LEU 3 2HD2 LEU 3 -10.951 -1.969 6.000 23 3HD2 LEU 3 3HD2 LEU 3 -10.549 -3.577 6.647 24 H ARG 4 H ARG 4 -14.342 -0.626 5.338 25 HA ARG 4 HA ARG 4 -16.636 0.434 3.995 26 2HB ARG 4 2HB ARG 4 -15.932 2.504 5.510 27 2HG ARG 4 2HG ARG 4 -16.754 -0.146 6.788 28 2HD ARG 4 2HD ARG 4 -16.180 2.199 8.090 29 HE ARG 4 HE ARG 4 -17.910 3.685 7.606 30 1HH1 ARG 4 1HH1 ARG 4 -21.348 3.199 7.258 31 2HH1 ARG 4 2HH1 ARG 4 -20.072 4.368 7.323 32 1HH2 ARG 4 1HH2 ARG 4 -20.862 0.938 7.461 33 2HH2 ARG 4 2HH2 ARG 4 -19.222 0.421 7.677 34 H ARG 5 H ARG 5 -13.620 2.222 4.876 35 HA ARG 5 HA ARG 5 -12.574 2.424 2.358 36 2HB ARG 5 2HB ARG 5 -13.368 5.104 2.356 37 2HG ARG 5 2HG ARG 5 -15.213 3.412 0.817 38 2HD ARG 5 2HD ARG 5 -12.962 4.653 -0.617 39 HE ARG 5 HE ARG 5 -15.732 4.328 -0.997 40 1HH1 ARG 5 1HH1 ARG 5 -16.270 6.852 -3.345 41 2HH1 ARG 5 2HH1 ARG 5 -16.889 5.388 -2.658 42 1HH2 ARG 5 1HH2 ARG 5 -14.267 7.739 -2.577 43 2HH2 ARG 5 2HH2 ARG 5 -13.390 6.935 -1.319 44 H LEU 6 H LEU 6 -13.290 3.928 5.520 45 HA LEU 6 HA LEU 6 -10.940 5.556 5.510 46 2HB LEU 6 2HB LEU 6 -11.577 5.915 7.900 47 HG LEU 6 HG LEU 6 -13.561 6.425 5.703 48 1HD1 LEU 6 1HD1 LEU 6 -14.460 7.950 7.843 49 2HD1 LEU 6 2HD1 LEU 6 -15.259 6.525 7.138 50 3HD1 LEU 6 3HD1 LEU 6 -14.184 6.339 8.546 51 1HD2 LEU 6 1HD2 LEU 6 -12.407 8.302 5.477 52 2HD2 LEU 6 2HD2 LEU 6 -12.732 8.738 7.171 53 3HD2 LEU 6 3HD2 LEU 6 -11.297 7.765 6.761 54 H GLY 7 H GLY 7 -11.986 2.555 7.273 55 1HA GLY 7 1HA GLY 7 -9.878 1.951 8.782 56 2HA GLY 7 2HA GLY 7 -10.723 0.747 7.829 57 H ARG 8 H ARG 8 -9.823 -0.041 5.856 58 HA ARG 8 HA ARG 8 -7.225 1.065 5.199 59 2HB ARG 8 2HB ARG 8 -7.865 -1.892 5.652 60 2HG ARG 8 2HG ARG 8 -5.180 -0.754 4.788 61 2HD ARG 8 2HD ARG 8 -5.002 -2.960 5.759 62 HE ARG 8 HE ARG 8 -7.032 -4.125 5.776 63 1HH1 ARG 8 1HH1 ARG 8 -9.058 -5.212 3.151 64 2HH1 ARG 8 2HH1 ARG 8 -8.776 -5.283 4.860 65 1HH2 ARG 8 1HH2 ARG 8 -7.667 -3.943 1.796 66 2HH2 ARG 8 2HH2 ARG 8 -6.345 -3.066 2.492 67 H LYS 9 H LYS 9 -8.465 2.036 3.392 68 HA LYS 9 HA LYS 9 -9.004 0.049 1.302 69 2HB LYS 9 2HB LYS 9 -10.658 2.515 1.919 70 2HG LYS 9 2HG LYS 9 -10.251 1.137 -0.541 71 2HD LYS 9 2HD LYS 9 -13.136 0.745 0.150 72 2HE LYS 9 2HE LYS 9 -11.163 -1.041 -1.342 73 1HZ LYS 9 1HZ LYS 9 -14.085 -0.785 -1.282 74 2HZ LYS 9 2HZ LYS 9 -13.292 -1.618 -2.442 75 3HZ LYS 9 3HZ LYS 9 -13.192 -2.094 -0.884 76 H ILE 10 H ILE 10 -8.100 3.420 2.199 77 HA ILE 10 HA ILE 10 -7.505 4.437 -0.243 78 HB ILE 10 HB ILE 10 -5.960 4.784 2.329 79 2HG1 ILE 10 2HG1 ILE 10 -8.501 5.154 2.343 80 1HG2 ILE 10 1HG2 ILE 10 -5.497 7.074 1.321 81 2HG2 ILE 10 2HG2 ILE 10 -4.615 5.695 0.624 82 3HG2 ILE 10 3HG2 ILE 10 -6.014 6.380 -0.234 83 1HD1 ILE 10 1HD1 ILE 10 -8.176 6.689 4.014 84 2HD1 ILE 10 2HD1 ILE 10 -6.451 6.371 3.708 85 3HD1 ILE 10 3HD1 ILE 10 -7.242 7.780 2.963 86 H ALA 11 H ALA 11 -5.340 2.405 1.842 87 HA ALA 11 HA ALA 11 -4.215 1.169 -0.452 88 1HB ALA 11 1HB ALA 11 -2.758 3.435 0.899 89 2HB ALA 11 2HB ALA 11 -1.833 2.055 0.261 90 3HB ALA 11 3HB ALA 11 -2.856 3.022 -0.829 91 H HIS 12 H HIS 12 -2.126 -0.149 0.407 92 HA HIS 12 HA HIS 12 -2.451 -0.820 3.201 93 2HB HIS 12 2HB HIS 12 -4.029 -2.208 1.596 94 HD1 HIS 12 1HD HIS 12 -0.477 -2.614 0.854 95 HD2 HIS 12 2HD HIS 12 -3.891 -5.043 0.695 96 HE1 HIS 12 1HE HIS 12 0.117 -4.582 -0.657 97 H GLY 13 H GLY 13 -0.841 -1.383 0.025 98 1HA GLY 13 1HA GLY 13 1.533 -2.465 1.251 99 2HA GLY 13 2HA GLY 13 1.269 -2.099 -0.443 100 H VAL 14 H VAL 14 0.219 0.711 0.614 101 HA VAL 14 HA VAL 14 2.636 2.062 0.113 102 HB VAL 14 HB VAL 14 0.179 2.750 -0.263 103 1HG1 VAL 14 1HG1 VAL 14 -0.872 4.059 1.471 104 2HG1 VAL 14 2HG1 VAL 14 -0.487 2.450 2.127 105 3HG1 VAL 14 3HG1 VAL 14 0.532 3.847 2.544 106 1HG2 VAL 14 1HG2 VAL 14 2.594 4.281 0.224 107 2HG2 VAL 14 2HG2 VAL 14 1.321 4.521 -0.997 108 3HG2 VAL 14 3HG2 VAL 14 1.143 5.229 0.627 109 H LYS 15 H LYS 15 0.979 0.921 3.045 110 HA LYS 15 HA LYS 15 2.333 2.538 4.879 111 2HB LYS 15 2HB LYS 15 0.950 -0.140 5.071 112 2HG LYS 15 2HG LYS 15 2.130 1.541 7.334 113 2HD LYS 15 2HD LYS 15 0.539 -1.068 7.341 114 2HE LYS 15 2HE LYS 15 0.799 -0.055 9.960 115 1HZ LYS 15 1HZ LYS 15 2.690 -2.047 9.305 116 2HZ LYS 15 2HZ LYS 15 1.350 -2.159 10.234 117 3HZ LYS 15 3HZ LYS 15 1.244 -2.368 8.618 118 H LYS 16 H LYS 16 3.331 -0.214 2.938 119 HA LYS 16 HA LYS 16 5.774 -0.411 4.550 120 2HB LYS 16 2HB LYS 16 5.316 -2.595 4.496 121 2HG LYS 16 2HG LYS 16 3.590 -3.589 2.950 122 2HD LYS 16 2HD LYS 16 2.007 -1.307 3.806 123 2HE LYS 16 2HE LYS 16 2.422 -4.178 4.715 124 1HZ LYS 16 1HZ LYS 16 0.984 -3.869 6.420 125 2HZ LYS 16 2HZ LYS 16 1.773 -2.440 6.500 126 3HZ LYS 16 3HZ LYS 16 0.300 -2.523 5.799 127 H TYR 17 H TYR 17 4.403 0.033 1.259 128 HA TYR 17 HA TYR 17 7.016 0.329 0.098 129 2HB TYR 17 2HB TYR 17 5.211 1.237 -1.749 130 HD1 TYR 17 1HD TYR 17 5.038 -0.177 -3.636 131 HD2 TYR 17 2HD TYR 17 5.753 -1.885 0.221 132 HE1 TYR 17 1HE TYR 17 5.483 -2.436 -4.712 133 HE2 TYR 17 2HE TYR 17 6.197 -4.139 -0.869 134 HH TYR 17 HH TYR 17 6.758 -5.091 -2.865 135 H GLY 18 H GLY 18 4.227 2.462 0.979 136 1HA GLY 18 1HA GLY 18 5.018 4.848 -0.063 137 2HA GLY 18 2HA GLY 18 4.188 4.662 1.469 138 HA PRO 19 HA PRO 19 7.874 5.489 3.665 139 2HB PRO 19 2HB PRO 19 7.188 4.593 5.672 140 2HG PRO 19 2HG PRO 19 5.699 2.842 5.487 141 2HD PRO 19 2HD PRO 19 4.793 3.295 3.422 142 H THR 20 H THR 20 8.154 2.254 2.347 143 HA THR 20 HA THR 20 11.003 2.844 1.882 144 HB THR 20 HB THR 20 10.133 0.821 3.354 145 HG1 THR 20 1HG THR 20 12.092 -0.110 2.649 146 1HG2 THR 20 1HG2 THR 20 8.756 0.194 0.997 147 2HG2 THR 20 2HG2 THR 20 10.237 -0.786 0.867 148 3HG2 THR 20 3HG2 THR 20 9.170 -0.968 2.281 149 H VAL 21 H VAL 21 9.480 4.212 0.169 150 HA VAL 21 HA VAL 21 8.597 2.763 -2.063 151 HB VAL 21 HB VAL 21 9.056 5.132 -3.126 152 1HG1 VAL 21 1HG1 VAL 21 6.973 5.481 -1.109 153 2HG1 VAL 21 2HG1 VAL 21 6.842 5.362 -2.878 154 3HG1 VAL 21 3HG1 VAL 21 6.899 3.884 -1.890 155 1HG2 VAL 21 1HG2 VAL 21 10.382 5.590 -0.822 156 2HG2 VAL 21 2HG2 VAL 21 9.566 6.870 -1.752 157 3HG2 VAL 21 3HG2 VAL 21 8.758 6.141 -0.343 158 H LEU 22 H LEU 22 11.622 2.754 -0.783 159 HA LEU 22 HA LEU 22 13.190 3.281 -3.091 160 2HB LEU 22 2HB LEU 22 14.844 1.858 -1.588 161 HG LEU 22 HG LEU 22 15.191 3.877 -0.065 162 1HD1 LEU 22 1HD1 LEU 22 16.328 5.100 -1.746 163 2HD1 LEU 22 2HD1 LEU 22 16.377 3.391 -2.242 164 3HD1 LEU 22 3HD1 LEU 22 15.235 4.512 -3.022 165 1HD2 LEU 22 1HD2 LEU 22 13.134 4.952 0.061 166 2HD2 LEU 22 2HD2 LEU 22 14.060 5.980 -1.060 167 3HD2 LEU 22 3HD2 LEU 22 12.850 4.839 -1.693 168 H ARG 23 H ARG 23 14.338 1.727 -4.411 169 HA ARG 23 HA ARG 23 14.290 0.053 -5.791 170 2HB ARG 23 2HB ARG 23 13.982 -2.292 -4.480 171 2HG ARG 23 2HG ARG 23 16.382 -1.675 -3.415 172 2HD ARG 23 2HD ARG 23 16.443 -1.529 -6.396 173 HE ARG 23 HE ARG 23 17.536 -3.819 -4.933 174 1HH1 ARG 23 1HH1 ARG 23 20.796 -2.582 -5.062 175 2HH1 ARG 23 2HH1 ARG 23 19.807 -3.962 -4.724 176 1HH2 ARG 23 1HH2 ARG 23 19.817 -0.586 -5.727 177 2HH2 ARG 23 2HH2 ARG 23 18.094 -0.478 -5.885 178 H ILE 24 H ILE 24 11.605 1.318 -5.008 179 HA ILE 24 HA ILE 24 9.970 -0.732 -6.255 180 HB ILE 24 HB ILE 24 8.180 -0.470 -4.624 181 2HG1 ILE 24 2HG1 ILE 24 9.145 1.854 -3.879 182 1HG2 ILE 24 1HG2 ILE 24 8.973 -2.051 -3.161 183 2HG2 ILE 24 2HG2 ILE 24 10.172 -2.177 -4.470 184 3HG2 ILE 24 3HG2 ILE 24 10.562 -1.264 -2.991 185 1HD1 ILE 24 1HD1 ILE 24 7.199 1.570 -2.738 186 2HD1 ILE 24 2HD1 ILE 24 7.476 -0.176 -2.541 187 3HD1 ILE 24 3HD1 ILE 24 8.213 0.976 -1.402 188 H ILE 25 H ILE 25 9.981 2.590 -4.782 189 HA ILE 25 HA ILE 25 8.705 3.498 -7.266 190 HB ILE 25 HB ILE 25 8.197 5.113 -4.880 191 2HG1 ILE 25 2HG1 ILE 25 7.942 3.244 -3.565 192 1HG2 ILE 25 1HG2 ILE 25 7.155 4.842 -7.415 193 2HG2 ILE 25 2HG2 ILE 25 5.936 4.039 -6.398 194 3HG2 ILE 25 3HG2 ILE 25 6.404 5.722 -6.062 195 1HD1 ILE 25 1HD1 ILE 25 5.656 4.493 -4.188 196 2HD1 ILE 25 2HD1 ILE 25 5.262 2.907 -4.894 197 3HD1 ILE 25 3HD1 ILE 25 5.660 3.039 -3.164 198 H ARG 26 H ARG 26 11.167 3.885 -4.759 199 HA ARG 26 HA ARG 26 12.761 5.341 -4.466 200 2HB ARG 26 2HB ARG 26 14.352 5.252 -6.177 201 2HG ARG 26 2HG ARG 26 12.848 3.492 -7.929 202 2HD ARG 26 2HD ARG 26 14.357 1.766 -6.813 203 HE ARG 26 HE ARG 26 16.169 3.963 -7.500 204 1HH1 ARG 26 1HH1 ARG 26 16.408 2.965 -10.835 205 2HH1 ARG 26 2HH1 ARG 26 17.076 3.976 -9.598 206 1HH2 ARG 26 1HH2 ARG 26 14.594 1.599 -10.364 207 2HH2 ARG 26 2HH2 ARG 26 13.908 1.588 -8.774 208 H ILE 27 H ILE 27 9.966 6.476 -5.124 209 HA ILE 27 HA ILE 27 10.887 9.150 -5.927 210 HB ILE 27 HB ILE 27 8.237 7.814 -6.492 211 2HG1 ILE 27 2HG1 ILE 27 10.663 7.629 -7.871 212 1HG2 ILE 27 1HG2 ILE 27 8.898 10.417 -7.734 213 2HG2 ILE 27 2HG2 ILE 27 7.347 9.782 -7.134 214 3HG2 ILE 27 3HG2 ILE 27 8.536 10.455 -5.993 215 1HD1 ILE 27 1HD1 ILE 27 8.088 7.325 -9.376 216 2HD1 ILE 27 2HD1 ILE 27 9.449 6.189 -9.209 217 3HD1 ILE 27 3HD1 ILE 27 8.267 6.362 -7.890 218 H ALA 28 H ALA 28 8.329 7.330 -4.098 219 HA ALA 28 HA ALA 28 7.667 7.631 -1.976 220 1HB ALA 28 1HB ALA 28 10.073 8.909 -1.873 221 2HB ALA 28 2HB ALA 28 8.974 10.271 -1.551 222 3HB ALA 28 3HB ALA 28 8.936 8.830 -0.506 223 H GLY 29 H GLY 29 6.177 8.298 -4.239 224 1HA GLY 29 1HA GLY 29 5.140 10.952 -4.114 225 2HA GLY 29 2HA GLY 29 4.486 9.588 -4.998 Start of MODEL 33 1 H ARG 1 H ARG 1 -9.311 -6.355 1.454 2 HA ARG 1 HA ARG 1 -8.413 -4.034 1.776 3 2HB ARG 1 2HB ARG 1 -10.076 -2.392 0.528 4 2HG ARG 1 2HG ARG 1 -7.470 -3.359 -0.056 5 2HD ARG 1 2HD ARG 1 -9.044 -2.930 -2.633 6 HE ARG 1 HE ARG 1 -6.219 -3.177 -2.010 7 1HH1 ARG 1 1HH1 ARG 1 -5.253 -3.629 -5.332 8 2HH1 ARG 1 2HH1 ARG 1 -4.715 -3.261 -3.727 9 1HH2 ARG 1 1HH2 ARG 1 -7.502 -4.035 -5.736 10 2HH2 ARG 1 2HH2 ARG 1 -8.642 -3.969 -4.435 11 H GLY 2 H GLY 2 -11.842 -3.805 0.742 12 1HA GLY 2 1HA GLY 2 -13.670 -3.328 2.004 13 2HA GLY 2 2HA GLY 2 -13.298 -4.895 2.695 14 H LEU 3 H LEU 3 -12.859 -5.018 4.868 15 HA LEU 3 HA LEU 3 -12.798 -4.283 6.968 16 2HB LEU 3 2HB LEU 3 -10.685 -2.481 6.980 17 HG LEU 3 HG LEU 3 -9.211 -4.396 7.445 18 1HD1 LEU 3 1HD1 LEU 3 -11.351 -3.487 8.966 19 2HD1 LEU 3 2HD1 LEU 3 -11.469 -5.259 9.066 20 3HD1 LEU 3 3HD1 LEU 3 -9.961 -4.441 9.539 21 1HD2 LEU 3 1HD2 LEU 3 -11.589 -6.205 6.980 22 2HD2 LEU 3 2HD2 LEU 3 -10.329 -5.916 5.756 23 3HD2 LEU 3 3HD2 LEU 3 -9.899 -6.656 7.317 24 H ARG 4 H ARG 4 -14.785 -2.947 5.459 25 HA ARG 4 HA ARG 4 -16.159 -1.290 5.674 26 2HB ARG 4 2HB ARG 4 -14.350 -0.233 7.906 27 2HG ARG 4 2HG ARG 4 -15.977 1.459 7.154 28 2HD ARG 4 2HD ARG 4 -17.905 -0.881 7.358 29 HE ARG 4 HE ARG 4 -18.489 1.760 8.294 30 1HH1 ARG 4 1HH1 ARG 4 -21.927 1.644 7.709 31 2HH1 ARG 4 2HH1 ARG 4 -20.649 2.457 8.550 32 1HH2 ARG 4 1HH2 ARG 4 -21.444 -0.151 6.322 33 2HH2 ARG 4 2HH2 ARG 4 -19.806 -0.680 6.126 34 H ARG 5 H ARG 5 -13.034 0.347 6.597 35 HA ARG 5 HA ARG 5 -12.421 1.332 4.153 36 2HB ARG 5 2HB ARG 5 -14.360 3.109 5.681 37 2HG ARG 5 2HG ARG 5 -13.507 4.701 3.614 38 2HD ARG 5 2HD ARG 5 -11.797 5.091 5.978 39 HE ARG 5 HE ARG 5 -13.197 6.731 4.267 40 1HH1 ARG 5 1HH1 ARG 5 -14.093 9.395 6.334 41 2HH1 ARG 5 2HH1 ARG 5 -13.838 8.881 4.700 42 1HH2 ARG 5 1HH2 ARG 5 -13.782 7.902 8.084 43 2HH2 ARG 5 2HH2 ARG 5 -13.295 6.272 7.754 44 H LEU 6 H LEU 6 -12.648 1.802 7.673 45 HA LEU 6 HA LEU 6 -10.395 3.553 7.814 46 2HB LEU 6 2HB LEU 6 -10.630 3.124 10.267 47 HG LEU 6 HG LEU 6 -12.968 4.103 8.656 48 1HD1 LEU 6 1HD1 LEU 6 -12.946 3.505 11.602 49 2HD1 LEU 6 2HD1 LEU 6 -13.891 4.869 10.962 50 3HD1 LEU 6 3HD1 LEU 6 -14.218 3.214 10.391 51 1HD2 LEU 6 1HD2 LEU 6 -12.310 6.146 10.231 52 2HD2 LEU 6 2HD2 LEU 6 -10.753 5.285 10.258 53 3HD2 LEU 6 3HD2 LEU 6 -11.457 5.801 8.708 54 H GLY 7 H GLY 7 -11.020 0.086 8.704 55 1HA GLY 7 1HA GLY 7 -8.672 -0.763 9.620 56 2HA GLY 7 2HA GLY 7 -9.617 -1.692 8.474 57 H ARG 8 H ARG 8 -9.027 -1.764 6.244 58 HA ARG 8 HA ARG 8 -6.619 -0.291 5.591 59 2HB ARG 8 2HB ARG 8 -5.894 -2.481 4.329 60 2HG ARG 8 2HG ARG 8 -5.243 -1.451 6.827 61 2HD ARG 8 2HD ARG 8 -5.047 -4.163 7.704 62 HE ARG 8 HE ARG 8 -5.617 -1.754 8.880 63 1HH1 ARG 8 1HH1 ARG 8 -7.550 -2.656 11.642 64 2HH1 ARG 8 2HH1 ARG 8 -6.529 -1.439 10.952 65 1HH2 ARG 8 1HH2 ARG 8 -7.993 -4.604 10.463 66 2HH2 ARG 8 2HH2 ARG 8 -7.302 -4.843 8.893 67 H LYS 9 H LYS 9 -8.200 1.058 4.383 68 HA LYS 9 HA LYS 9 -8.983 -0.251 1.877 69 2HB LYS 9 2HB LYS 9 -10.627 1.742 3.466 70 2HG LYS 9 2HG LYS 9 -10.571 1.242 0.672 71 2HD LYS 9 2HD LYS 9 -12.080 -0.816 1.856 72 2HE LYS 9 2HE LYS 9 -14.086 0.953 0.469 73 1HZ LYS 9 1HZ LYS 9 -14.171 -1.103 2.563 74 2HZ LYS 9 2HZ LYS 9 -15.483 -0.264 2.067 75 3HZ LYS 9 3HZ LYS 9 -14.698 -1.243 1.023 76 H ILE 10 H ILE 10 -8.106 2.766 3.642 77 HA ILE 10 HA ILE 10 -7.977 4.525 1.582 78 HB ILE 10 HB ILE 10 -6.040 4.229 3.882 79 2HG1 ILE 10 2HG1 ILE 10 -8.559 4.329 4.379 80 1HG2 ILE 10 1HG2 ILE 10 -5.333 6.409 3.538 81 2HG2 ILE 10 2HG2 ILE 10 -5.445 5.770 1.882 82 3HG2 ILE 10 3HG2 ILE 10 -6.734 6.818 2.520 83 1HD1 ILE 10 1HD1 ILE 10 -6.630 4.959 5.956 84 2HD1 ILE 10 2HD1 ILE 10 -6.913 6.648 5.470 85 3HD1 ILE 10 3HD1 ILE 10 -8.197 5.732 6.296 86 H ALA 11 H ALA 11 -5.399 2.178 2.590 87 HA ALA 11 HA ALA 11 -4.618 1.807 -0.113 88 1HB ALA 11 1HB ALA 11 -2.168 2.691 0.885 89 2HB ALA 11 2HB ALA 11 -3.200 3.554 -0.282 90 3HB ALA 11 3HB ALA 11 -3.323 3.919 1.457 91 H HIS 12 H HIS 12 -2.355 0.498 -0.024 92 HA HIS 12 HA HIS 12 -2.176 -1.012 2.436 93 2HB HIS 12 2HB HIS 12 -3.932 -1.998 0.725 94 HD1 HIS 12 1HD HIS 12 -0.536 -1.817 -0.611 95 HD2 HIS 12 2HD HIS 12 -3.819 -4.393 -1.035 96 HE1 HIS 12 1HE HIS 12 -0.113 -3.166 -2.735 97 H GLY 13 H GLY 13 -1.095 -0.435 -0.956 98 1HA GLY 13 1HA GLY 13 1.499 -1.601 -0.484 99 2HA GLY 13 2HA GLY 13 0.938 -0.770 -1.921 100 H VAL 14 H VAL 14 -0.052 1.475 0.103 101 HA VAL 14 HA VAL 14 2.180 3.144 -0.295 102 HB VAL 14 HB VAL 14 -0.332 3.673 -0.081 103 1HG1 VAL 14 1HG1 VAL 14 0.399 3.951 2.848 104 2HG1 VAL 14 2HG1 VAL 14 -1.185 4.231 2.084 105 3HG1 VAL 14 3HG1 VAL 14 -0.524 2.580 2.188 106 1HG2 VAL 14 1HG2 VAL 14 0.300 5.829 -0.080 107 2HG2 VAL 14 2HG2 VAL 14 1.028 5.708 1.542 108 3HG2 VAL 14 3HG2 VAL 14 1.959 5.206 0.109 109 H LYS 15 H LYS 15 1.091 1.021 2.345 110 HA LYS 15 HA LYS 15 2.656 2.131 4.375 111 2HB LYS 15 2HB LYS 15 2.457 -0.401 5.181 112 2HG LYS 15 2HG LYS 15 -0.023 0.191 5.749 113 2HD LYS 15 2HD LYS 15 2.467 1.691 6.523 114 2HE LYS 15 2HE LYS 15 -0.290 2.454 7.588 115 1HZ LYS 15 1HZ LYS 15 1.672 2.722 9.014 116 2HZ LYS 15 2HZ LYS 15 2.341 3.721 7.908 117 3HZ LYS 15 3HZ LYS 15 0.952 4.143 8.658 118 H LYS 16 H LYS 16 3.443 0.193 1.551 119 HA LYS 16 HA LYS 16 6.130 -0.241 2.648 120 2HB LYS 16 2HB LYS 16 5.779 -2.334 1.966 121 2HG LYS 16 2HG LYS 16 3.862 -2.974 0.460 122 2HD LYS 16 2HD LYS 16 2.340 -1.235 2.220 123 2HE LYS 16 2HE LYS 16 3.114 -4.192 2.331 124 1HZ LYS 16 1HZ LYS 16 2.036 -2.725 4.309 125 2HZ LYS 16 2HZ LYS 16 0.711 -3.336 3.578 126 3HZ LYS 16 3HZ LYS 16 1.871 -4.342 4.138 127 H TYR 17 H TYR 17 4.213 1.052 -0.104 128 HA TYR 17 HA TYR 17 6.580 1.941 -1.471 129 2HB TYR 17 2HB TYR 17 4.454 3.197 -2.651 130 HD1 TYR 17 1HD TYR 17 3.029 -0.012 -2.662 131 HD2 TYR 17 2HD TYR 17 6.461 2.121 -4.066 132 HE1 TYR 17 1HE TYR 17 3.393 -1.770 -4.461 133 HE2 TYR 17 2HE TYR 17 6.816 0.357 -5.860 134 HH TYR 17 HH TYR 17 4.453 -1.883 -6.675 135 H GLY 18 H GLY 18 3.890 3.421 0.445 136 1HA GLY 18 1HA GLY 18 4.409 6.079 0.111 137 2HA GLY 18 2HA GLY 18 3.819 5.358 1.593 138 HA PRO 19 HA PRO 19 7.728 5.827 3.474 139 2HB PRO 19 2HB PRO 19 7.322 4.391 5.227 140 2HG PRO 19 2HG PRO 19 5.858 2.675 4.750 141 2HD PRO 19 2HD PRO 19 4.689 3.610 3.006 142 H THR 20 H THR 20 8.820 2.638 2.610 143 HA THR 20 HA THR 20 10.128 3.251 0.258 144 HB THR 20 HB THR 20 11.275 4.940 1.851 145 HG1 THR 20 1HG THR 20 12.795 2.746 0.624 146 1HG2 THR 20 1HG2 THR 20 12.218 4.105 3.759 147 2HG2 THR 20 2HG2 THR 20 11.794 2.443 3.286 148 3HG2 THR 20 3HG2 THR 20 13.324 3.162 2.732 149 H VAL 21 H VAL 21 9.757 1.442 3.239 150 HA VAL 21 HA VAL 21 11.490 -0.637 2.850 151 HB VAL 21 HB VAL 21 10.302 -1.697 4.466 152 1HG1 VAL 21 1HG1 VAL 21 8.800 0.880 4.840 153 2HG1 VAL 21 2HG1 VAL 21 9.640 -0.132 6.040 154 3HG1 VAL 21 3HG1 VAL 21 10.579 0.877 4.914 155 1HG2 VAL 21 1HG2 VAL 21 7.646 -1.119 4.546 156 2HG2 VAL 21 2HG2 VAL 21 7.955 -1.005 2.797 157 3HG2 VAL 21 3HG2 VAL 21 8.344 -2.504 3.673 158 H LEU 22 H LEU 22 10.149 -3.031 2.500 159 HA LEU 22 HA LEU 22 8.885 -4.244 1.026 160 2HB LEU 22 2HB LEU 22 9.070 -2.093 -1.058 161 HG LEU 22 HG LEU 22 6.965 -4.179 -0.425 162 1HD1 LEU 22 1HD1 LEU 22 6.594 -1.630 -1.564 163 2HD1 LEU 22 2HD1 LEU 22 6.543 -2.789 -2.912 164 3HD1 LEU 22 3HD1 LEU 22 5.448 -2.991 -1.524 165 1HD2 LEU 22 1HD2 LEU 22 8.801 -3.855 -2.814 166 2HD2 LEU 22 2HD2 LEU 22 8.905 -5.110 -1.558 167 3HD2 LEU 22 3HD2 LEU 22 7.503 -5.062 -2.656 168 H ARG 23 H ARG 23 10.938 -2.245 -1.182 169 HA ARG 23 HA ARG 23 12.227 -4.634 -2.015 170 2HB ARG 23 2HB ARG 23 11.672 -2.794 -3.613 171 2HG ARG 23 2HG ARG 23 13.792 -0.973 -3.219 172 2HD ARG 23 2HD ARG 23 11.020 -0.357 -2.188 173 HE ARG 23 HE ARG 23 13.207 1.135 -3.331 174 1HH1 ARG 23 1HH1 ARG 23 11.357 4.036 -3.914 175 2HH1 ARG 23 2HH1 ARG 23 12.945 3.360 -3.783 176 1HH2 ARG 23 1HH2 ARG 23 9.493 2.683 -3.631 177 2HH2 ARG 23 2HH2 ARG 23 9.691 0.997 -3.288 178 H ILE 24 H ILE 24 12.549 -3.109 0.788 179 HA ILE 24 HA ILE 24 15.457 -3.447 0.832 180 HB ILE 24 HB ILE 24 15.307 -1.515 2.594 181 2HG1 ILE 24 2HG1 ILE 24 12.706 -1.490 2.078 182 1HG2 ILE 24 1HG2 ILE 24 16.674 -0.648 1.080 183 2HG2 ILE 24 2HG2 ILE 24 15.983 -1.699 -0.179 184 3HG2 ILE 24 3HG2 ILE 24 15.269 -0.099 0.135 185 1HD1 ILE 24 1HD1 ILE 24 13.120 1.231 2.283 186 2HD1 ILE 24 2HD1 ILE 24 13.165 0.101 3.657 187 3HD1 ILE 24 3HD1 ILE 24 14.677 0.589 2.857 188 H ILE 25 H ILE 25 12.337 -3.260 2.634 189 HA ILE 25 HA ILE 25 13.548 -5.046 4.626 190 HB ILE 25 HB ILE 25 11.016 -3.675 5.257 191 2HG1 ILE 25 2HG1 ILE 25 12.099 -1.869 4.051 192 1HG2 ILE 25 1HG2 ILE 25 11.646 -4.306 7.285 193 2HG2 ILE 25 2HG2 ILE 25 13.144 -4.986 6.607 194 3HG2 ILE 25 3HG2 ILE 25 13.107 -3.296 7.167 195 1HD1 ILE 25 1HD1 ILE 25 12.679 -1.328 6.979 196 2HD1 ILE 25 2HD1 ILE 25 12.011 -0.227 5.750 197 3HD1 ILE 25 3HD1 ILE 25 11.006 -1.540 6.408 198 H ARG 26 H ARG 26 11.132 -4.627 2.120 199 HA ARG 26 HA ARG 26 9.476 -5.856 1.423 200 2HB ARG 26 2HB ARG 26 10.203 -7.913 0.629 201 2HG ARG 26 2HG ARG 26 12.888 -7.877 1.678 202 2HD ARG 26 2HD ARG 26 13.065 -6.633 -0.753 203 HE ARG 26 HE ARG 26 13.034 -9.414 0.098 204 1HH1 ARG 26 1HH1 ARG 26 14.462 -10.597 -2.859 205 2HH1 ARG 26 2HH1 ARG 26 14.070 -10.973 -1.215 206 1HH2 ARG 26 1HH2 ARG 26 13.936 -8.510 -3.731 207 2HH2 ARG 26 2HH2 ARG 26 13.151 -7.330 -2.736 208 H ILE 27 H ILE 27 9.692 -5.326 4.494 209 HA ILE 27 HA ILE 27 7.782 -7.415 5.281 210 HB ILE 27 HB ILE 27 9.807 -5.991 7.011 211 2HG1 ILE 27 2HG1 ILE 27 10.187 -8.163 5.283 212 1HG2 ILE 27 1HG2 ILE 27 7.741 -6.450 8.221 213 2HG2 ILE 27 2HG2 ILE 27 7.799 -8.154 7.704 214 3HG2 ILE 27 3HG2 ILE 27 9.057 -7.507 8.785 215 1HD1 ILE 27 1HD1 ILE 27 11.899 -7.863 7.734 216 2HD1 ILE 27 2HD1 ILE 27 12.377 -7.996 6.025 217 3HD1 ILE 27 3HD1 ILE 27 11.755 -6.454 6.657 218 H ALA 28 H ALA 28 8.871 -3.999 5.835 219 HA ALA 28 HA ALA 28 7.728 -2.149 6.241 220 1HB ALA 28 1HB ALA 28 5.776 -1.781 5.018 221 2HB ALA 28 2HB ALA 28 6.499 -3.150 4.140 222 3HB ALA 28 3HB ALA 28 5.168 -3.432 5.290 223 H GLY 29 H GLY 29 8.057 -4.153 8.324 224 1HA GLY 29 1HA GLY 29 5.911 -4.855 9.819 225 2HA GLY 29 2HA GLY 29 7.442 -4.332 10.489 Start of MODEL 34 1 H ARG 1 H ARG 1 -2.885 6.333 13.639 2 HA ARG 1 HA ARG 1 -5.017 6.203 14.002 3 2HB ARG 1 2HB ARG 1 -6.289 7.089 11.632 4 2HG ARG 1 2HG ARG 1 -5.169 8.460 14.093 5 2HD ARG 1 2HD ARG 1 -6.923 9.897 12.072 6 HE ARG 1 HE ARG 1 -5.651 10.591 14.600 7 1HH1 ARG 1 1HH1 ARG 1 -6.440 13.981 14.341 8 2HH1 ARG 1 2HH1 ARG 1 -5.899 12.718 15.396 9 1HH2 ARG 1 1HH2 ARG 1 -6.911 13.511 12.117 10 2HH2 ARG 1 2HH2 ARG 1 -6.723 11.899 11.514 11 H GLY 2 H GLY 2 -5.310 5.696 10.423 12 1HA GLY 2 1HA GLY 2 -6.158 4.006 9.212 13 2HA GLY 2 2HA GLY 2 -5.495 2.916 10.414 14 H LEU 3 H LEU 3 -8.342 3.929 8.930 15 HA LEU 3 HA LEU 3 -9.911 2.857 11.163 16 2HB LEU 3 2HB LEU 3 -11.442 4.711 9.597 17 HG LEU 3 HG LEU 3 -11.800 5.881 11.714 18 1HD1 LEU 3 1HD1 LEU 3 -13.140 4.275 12.690 19 2HD1 LEU 3 2HD1 LEU 3 -12.911 3.616 11.054 20 3HD1 LEU 3 3HD1 LEU 3 -11.965 2.968 12.416 21 1HD2 LEU 3 1HD2 LEU 3 -9.821 3.940 12.936 22 2HD2 LEU 3 2HD2 LEU 3 -9.497 5.656 12.593 23 3HD2 LEU 3 3HD2 LEU 3 -10.745 5.206 13.779 24 H ARG 4 H ARG 4 -10.715 3.977 7.819 25 HA ARG 4 HA ARG 4 -10.702 1.424 6.741 26 2HB ARG 4 2HB ARG 4 -12.641 0.810 7.976 27 2HG ARG 4 2HG ARG 4 -13.053 3.643 8.129 28 2HD ARG 4 2HD ARG 4 -15.259 2.108 6.728 29 HE ARG 4 HE ARG 4 -15.762 3.598 9.070 30 1HH1 ARG 4 1HH1 ARG 4 -18.884 4.900 8.211 31 2HH1 ARG 4 2HH1 ARG 4 -17.795 4.548 9.510 32 1HH2 ARG 4 1HH2 ARG 4 -18.281 4.407 6.025 33 2HH2 ARG 4 2HH2 ARG 4 -16.742 3.689 5.693 34 H ARG 5 H ARG 5 -9.853 4.149 6.131 35 HA ARG 5 HA ARG 5 -10.528 4.276 3.499 36 2HB ARG 5 2HB ARG 5 -11.792 6.751 4.324 37 2HG ARG 5 2HG ARG 5 -13.549 4.642 3.240 38 2HD ARG 5 2HD ARG 5 -12.507 7.059 1.740 39 HE ARG 5 HE ARG 5 -14.599 5.262 1.280 40 1HH1 ARG 5 1HH1 ARG 5 -16.912 7.384 -0.244 41 2HH1 ARG 5 2HH1 ARG 5 -16.422 5.740 -0.011 42 1HH2 ARG 5 1HH2 ARG 5 -15.715 9.103 0.756 43 2HH2 ARG 5 2HH2 ARG 5 -14.333 8.741 1.735 44 H LEU 6 H LEU 6 -9.617 5.931 6.521 45 HA LEU 6 HA LEU 6 -8.296 8.114 5.332 46 2HB LEU 6 2HB LEU 6 -7.182 8.231 7.600 47 HG LEU 6 HG LEU 6 -10.176 8.201 7.323 48 1HD1 LEU 6 1HD1 LEU 6 -8.787 7.793 9.780 49 2HD1 LEU 6 2HD1 LEU 6 -9.480 9.432 9.791 50 3HD1 LEU 6 3HD1 LEU 6 -10.530 8.023 9.502 51 1HD2 LEU 6 1HD2 LEU 6 -10.019 10.548 7.444 52 2HD2 LEU 6 2HD2 LEU 6 -8.352 10.491 8.062 53 3HD2 LEU 6 3HD2 LEU 6 -8.691 10.037 6.375 54 H GLY 7 H GLY 7 -7.447 4.724 5.907 55 1HA GLY 7 1HA GLY 7 -5.354 4.673 4.110 56 2HA GLY 7 2HA GLY 7 -4.629 5.040 5.662 57 H ARG 8 H ARG 8 -7.573 3.041 5.043 58 HA ARG 8 HA ARG 8 -6.028 0.687 5.647 59 2HB ARG 8 2HB ARG 8 -8.624 0.844 7.125 60 2HG ARG 8 2HG ARG 8 -5.840 -0.257 7.528 61 2HD ARG 8 2HD ARG 8 -7.404 0.986 9.634 62 HE ARG 8 HE ARG 8 -7.712 -1.901 9.524 63 1HH1 ARG 8 1HH1 ARG 8 -8.741 -2.181 12.847 64 2HH1 ARG 8 2HH1 ARG 8 -8.643 -2.977 11.311 65 1HH2 ARG 8 1HH2 ARG 8 -7.923 -0.021 13.088 66 2HH2 ARG 8 2HH2 ARG 8 -7.219 0.793 11.732 67 H LYS 9 H LYS 9 -7.711 2.078 3.413 68 HA LYS 9 HA LYS 9 -9.159 -0.333 2.692 69 2HB LYS 9 2HB LYS 9 -10.477 2.396 2.822 70 2HG LYS 9 2HG LYS 9 -12.316 0.283 2.281 71 2HD LYS 9 2HD LYS 9 -11.350 2.798 1.010 72 2HE LYS 9 2HE LYS 9 -12.085 0.432 -0.610 73 1HZ LYS 9 1HZ LYS 9 -14.102 2.076 -0.372 74 2HZ LYS 9 2HZ LYS 9 -13.287 2.885 -1.535 75 3HZ LYS 9 3HZ LYS 9 -13.749 1.339 -1.785 76 H ILE 10 H ILE 10 -8.784 3.105 1.565 77 HA ILE 10 HA ILE 10 -8.613 2.456 -1.115 78 HB ILE 10 HB ILE 10 -7.384 4.801 0.338 79 2HG1 ILE 10 2HG1 ILE 10 -9.858 4.319 0.759 80 1HG2 ILE 10 1HG2 ILE 10 -7.550 4.056 -2.486 81 2HG2 ILE 10 2HG2 ILE 10 -8.235 5.661 -2.138 82 3HG2 ILE 10 3HG2 ILE 10 -6.557 5.291 -1.675 83 1HD1 ILE 10 1HD1 ILE 10 -8.525 6.645 0.690 84 2HD1 ILE 10 2HD1 ILE 10 -9.582 6.931 -0.714 85 3HD1 ILE 10 3HD1 ILE 10 -10.294 6.601 0.884 86 H ALA 11 H ALA 11 -5.888 3.235 1.167 87 HA ALA 11 HA ALA 11 -4.081 1.950 -0.728 88 1HB ALA 11 1HB ALA 11 -3.101 3.215 1.793 89 2HB ALA 11 2HB ALA 11 -2.457 3.315 0.136 90 3HB ALA 11 3HB ALA 11 -3.867 4.295 0.603 91 H HIS 12 H HIS 12 -2.108 0.889 0.768 92 HA HIS 12 HA HIS 12 -2.834 -0.470 3.057 93 2HB HIS 12 2HB HIS 12 -4.421 -1.507 1.257 94 HD1 HIS 12 1HD HIS 12 -1.318 -1.411 -0.197 95 HD2 HIS 12 2HD HIS 12 -3.976 -4.597 0.420 96 HE1 HIS 12 1HE HIS 12 -0.697 -3.202 -1.905 97 H GLY 13 H GLY 13 -1.211 -1.221 -0.115 98 1HA GLY 13 1HA GLY 13 1.081 -2.354 1.115 99 2HA GLY 13 2HA GLY 13 0.896 -1.883 -0.562 100 H VAL 14 H VAL 14 -0.008 0.925 0.689 101 HA VAL 14 HA VAL 14 2.441 2.192 0.240 102 HB VAL 14 HB VAL 14 0.218 3.192 -0.067 103 1HG1 VAL 14 1HG1 VAL 14 -0.713 2.179 2.090 104 2HG1 VAL 14 2HG1 VAL 14 0.067 3.537 2.936 105 3HG1 VAL 14 3HG1 VAL 14 -1.189 3.852 1.713 106 1HG2 VAL 14 1HG2 VAL 14 2.401 4.509 0.390 107 2HG2 VAL 14 2HG2 VAL 14 0.850 5.376 0.488 108 3HG2 VAL 14 3HG2 VAL 14 1.679 4.864 1.979 109 H LYS 15 H LYS 15 0.875 0.873 3.158 110 HA LYS 15 HA LYS 15 2.487 2.192 5.029 111 2HB LYS 15 2HB LYS 15 1.107 -0.497 5.263 112 2HG LYS 15 2HG LYS 15 1.795 1.585 7.387 113 2HD LYS 15 2HD LYS 15 1.371 -0.524 8.853 114 2HE LYS 15 2HE LYS 15 -0.867 0.885 7.327 115 1HZ LYS 15 1HZ LYS 15 -1.247 -1.368 8.606 116 2HZ LYS 15 2HZ LYS 15 -1.333 -0.357 9.884 117 3HZ LYS 15 3HZ LYS 15 -2.347 -0.162 8.620 118 H LYS 16 H LYS 16 3.098 -0.416 2.774 119 HA LYS 16 HA LYS 16 5.579 -1.038 4.213 120 2HB LYS 16 2HB LYS 16 4.872 -3.140 3.939 121 2HG LYS 16 2HG LYS 16 3.023 -3.765 2.345 122 2HD LYS 16 2HD LYS 16 1.678 -1.472 3.489 123 2HE LYS 16 2HE LYS 16 1.774 -4.077 4.960 124 1HZ LYS 16 1HZ LYS 16 0.115 -2.330 5.291 125 2HZ LYS 16 2HZ LYS 16 -0.424 -2.541 3.763 126 3HZ LYS 16 3HZ LYS 16 -0.562 -3.749 4.851 127 H TYR 17 H TYR 17 4.122 -0.061 1.078 128 HA TYR 17 HA TYR 17 6.709 0.125 -0.171 129 2HB TYR 17 2HB TYR 17 4.916 1.394 -1.813 130 HD1 TYR 17 1HD TYR 17 5.309 -1.972 -0.261 131 HD2 TYR 17 2HD TYR 17 4.540 0.238 -3.844 132 HE1 TYR 17 1HE TYR 17 5.533 -4.103 -1.632 133 HE2 TYR 17 2HE TYR 17 4.767 -1.899 -5.202 134 HH TYR 17 HH TYR 17 5.142 -5.017 -3.609 135 H GLY 18 H GLY 18 4.142 2.385 1.024 136 1HA GLY 18 1HA GLY 18 5.090 4.793 0.231 137 2HA GLY 18 2HA GLY 18 4.333 4.505 1.785 138 HA PRO 19 HA PRO 19 8.201 4.743 3.811 139 2HB PRO 19 2HB PRO 19 7.588 3.605 5.717 140 2HG PRO 19 2HG PRO 19 5.972 1.993 5.395 141 2HD PRO 19 2HD PRO 19 4.967 2.794 3.490 142 H THR 20 H THR 20 8.123 1.829 1.900 143 HA THR 20 HA THR 20 11.002 1.789 1.695 144 HB THR 20 HB THR 20 9.127 -0.155 1.660 145 HG1 THR 20 1HG THR 20 10.975 -1.273 1.054 146 1HG2 THR 20 1HG2 THR 20 8.394 -0.797 -0.463 147 2HG2 THR 20 2HG2 THR 20 8.406 0.966 -0.706 148 3HG2 THR 20 3HG2 THR 20 9.771 -0.019 -1.280 149 H VAL 21 H VAL 21 10.463 4.294 1.007 150 HA VAL 21 HA VAL 21 9.693 4.783 -1.604 151 HB VAL 21 HB VAL 21 10.400 6.915 -1.220 152 1HG1 VAL 21 1HG1 VAL 21 9.195 5.717 0.871 153 2HG1 VAL 21 2HG1 VAL 21 10.681 6.282 1.672 154 3HG1 VAL 21 3HG1 VAL 21 9.616 7.447 0.847 155 1HG2 VAL 21 1HG2 VAL 21 12.848 5.612 -0.235 156 2HG2 VAL 21 2HG2 VAL 21 12.636 7.143 -1.121 157 3HG2 VAL 21 3HG2 VAL 21 12.414 7.098 0.644 158 H LEU 22 H LEU 22 11.928 6.184 -2.757 159 HA LEU 22 HA LEU 22 13.992 5.833 -3.662 160 2HB LEU 22 2HB LEU 22 13.814 2.875 -3.211 161 HG LEU 22 HG LEU 22 16.270 3.136 -2.793 162 1HD1 LEU 22 1HD1 LEU 22 15.076 3.767 -5.489 163 2HD1 LEU 22 2HD1 LEU 22 16.825 3.538 -5.259 164 3HD1 LEU 22 3HD1 LEU 22 15.696 2.218 -4.870 165 1HD2 LEU 22 1HD2 LEU 22 17.401 5.086 -2.973 166 2HD2 LEU 22 2HD2 LEU 22 16.312 5.739 -4.220 167 3HD2 LEU 22 3HD2 LEU 22 15.824 5.768 -2.510 168 H ARG 23 H ARG 23 12.454 2.655 -4.389 169 HA ARG 23 HA ARG 23 12.463 3.398 -7.142 170 2HB ARG 23 2HB ARG 23 11.702 1.045 -7.510 171 2HG ARG 23 2HG ARG 23 13.620 0.230 -5.558 172 2HD ARG 23 2HD ARG 23 13.393 0.557 -8.481 173 HE ARG 23 HE ARG 23 15.848 1.516 -7.249 174 1HH1 ARG 23 1HH1 ARG 23 17.696 1.342 -10.204 175 2HH1 ARG 23 2HH1 ARG 23 17.643 1.966 -8.589 176 1HH2 ARG 23 1HH2 ARG 23 15.945 0.046 -11.005 177 2HH2 ARG 23 2HH2 ARG 23 14.584 -0.296 -9.988 178 H ILE 24 H ILE 24 10.647 4.857 -5.264 179 HA ILE 24 HA ILE 24 8.226 4.503 -6.796 180 HB ILE 24 HB ILE 24 6.951 4.572 -4.517 181 2HG1 ILE 24 2HG1 ILE 24 9.204 4.664 -3.269 182 1HG2 ILE 24 1HG2 ILE 24 8.156 2.004 -5.585 183 2HG2 ILE 24 2HG2 ILE 24 6.671 2.160 -4.619 184 3HG2 ILE 24 3HG2 ILE 24 6.741 2.848 -6.259 185 1HD1 ILE 24 1HD1 ILE 24 7.856 4.172 -1.521 186 2HD1 ILE 24 2HD1 ILE 24 6.668 3.471 -2.647 187 3HD1 ILE 24 3HD1 ILE 24 7.935 2.443 -1.937 188 H ILE 25 H ILE 25 9.989 6.158 -4.113 189 HA ILE 25 HA ILE 25 8.715 8.647 -5.020 190 HB ILE 25 HB ILE 25 9.990 8.577 -2.365 191 2HG1 ILE 25 2HG1 ILE 25 9.038 6.371 -2.278 192 1HG2 ILE 25 1HG2 ILE 25 8.799 10.441 -2.231 193 2HG2 ILE 25 2HG2 ILE 25 8.054 10.108 -3.812 194 3HG2 ILE 25 3HG2 ILE 25 7.302 9.483 -2.324 195 1HD1 ILE 25 1HD1 ILE 25 8.440 8.337 -0.487 196 2HD1 ILE 25 2HD1 ILE 25 6.798 7.872 -0.991 197 3HD1 ILE 25 3HD1 ILE 25 7.894 6.653 -0.300 198 H ARG 26 H ARG 26 11.682 6.826 -4.499 199 HA ARG 26 HA ARG 26 13.789 7.335 -4.696 200 2HB ARG 26 2HB ARG 26 14.333 7.878 -6.885 201 2HG ARG 26 2HG ARG 26 11.668 8.220 -7.935 202 2HD ARG 26 2HD ARG 26 12.364 5.485 -8.063 203 HE ARG 26 HE ARG 26 11.867 6.469 -10.157 204 1HH1 ARG 26 1HH1 ARG 26 13.887 8.509 -12.140 205 2HH1 ARG 26 2HH1 ARG 26 12.452 7.541 -12.088 206 1HH2 ARG 26 1HH2 ARG 26 15.214 8.717 -10.249 207 2HH2 ARG 26 2HH2 ARG 26 14.771 7.904 -8.785 208 H ILE 27 H ILE 27 11.986 9.314 -3.099 209 HA ILE 27 HA ILE 27 13.905 11.540 -3.119 210 HB ILE 27 HB ILE 27 10.945 11.627 -2.522 211 2HG1 ILE 27 2HG1 ILE 27 12.245 11.615 -5.002 212 1HG2 ILE 27 1HG2 ILE 27 12.879 13.946 -2.687 213 2HG2 ILE 27 2HG2 ILE 27 11.177 13.963 -2.167 214 3HG2 ILE 27 3HG2 ILE 27 12.407 13.165 -1.160 215 1HD1 ILE 27 1HD1 ILE 27 9.605 13.011 -4.700 216 2HD1 ILE 27 2HD1 ILE 27 10.077 11.701 -5.809 217 3HD1 ILE 27 3HD1 ILE 27 9.713 11.337 -4.103 218 H ALA 28 H ALA 28 11.538 9.653 -1.117 219 HA ALA 28 HA ALA 28 11.678 8.903 0.964 220 1HB ALA 28 1HB ALA 28 14.554 9.745 1.249 221 2HB ALA 28 2HB ALA 28 13.743 8.266 1.816 222 3HB ALA 28 3HB ALA 28 14.142 8.458 0.092 223 H GLY 29 H GLY 29 10.734 11.531 0.395 224 1HA GLY 29 1HA GLY 29 11.856 13.251 2.475 225 2HA GLY 29 2HA GLY 29 10.676 13.683 1.252 Start of MODEL 35 1 H ARG 1 H ARG 1 -12.443 4.492 15.040 2 HA ARG 1 HA ARG 1 -14.717 4.913 15.195 3 2HB ARG 1 2HB ARG 1 -14.960 7.499 13.932 4 2HG ARG 1 2HG ARG 1 -15.476 6.446 16.748 5 2HD ARG 1 2HD ARG 1 -16.479 9.072 15.555 6 HE ARG 1 HE ARG 1 -16.998 7.629 18.068 7 1HH1 ARG 1 1HH1 ARG 1 -19.097 10.155 19.249 8 2HH1 ARG 1 2HH1 ARG 1 -18.544 8.532 19.489 9 1HH2 ARG 1 1HH2 ARG 1 -18.265 11.415 17.485 10 2HH2 ARG 1 2HH2 ARG 1 -17.092 10.729 16.409 11 H GLY 2 H GLY 2 -15.225 3.538 13.503 12 1HA GLY 2 1HA GLY 2 -16.119 3.673 11.220 13 2HA GLY 2 2HA GLY 2 -14.648 4.509 10.766 14 H LEU 3 H LEU 3 -15.284 2.255 9.336 15 HA LEU 3 HA LEU 3 -13.132 0.480 10.136 16 2HB LEU 3 2HB LEU 3 -14.852 -1.416 9.422 17 HG LEU 3 HG LEU 3 -13.753 -0.666 11.865 18 1HD1 LEU 3 1HD1 LEU 3 -16.764 -0.766 12.074 19 2HD1 LEU 3 2HD1 LEU 3 -15.687 -1.113 13.446 20 3HD1 LEU 3 3HD1 LEU 3 -15.649 0.486 12.668 21 1HD2 LEU 3 1HD2 LEU 3 -13.560 -2.885 11.257 22 2HD2 LEU 3 2HD2 LEU 3 -14.761 -2.966 12.569 23 3HD2 LEU 3 3HD2 LEU 3 -15.291 -3.045 10.871 24 H ARG 4 H ARG 4 -11.926 -0.147 8.395 25 HA ARG 4 HA ARG 4 -11.249 -0.327 6.351 26 2HB ARG 4 2HB ARG 4 -13.084 -0.644 4.496 27 2HG ARG 4 2HG ARG 4 -13.838 -2.880 5.732 28 2HD ARG 4 2HD ARG 4 -11.112 -2.058 4.727 29 HE ARG 4 HE ARG 4 -10.221 -3.781 6.043 30 1HH1 ARG 4 1HH1 ARG 4 -11.287 -7.074 6.487 31 2HH1 ARG 4 2HH1 ARG 4 -10.017 -5.934 6.782 32 1HH2 ARG 4 1HH2 ARG 4 -13.195 -6.416 5.343 33 2HH2 ARG 4 2HH2 ARG 4 -13.351 -4.783 4.783 34 H ARG 5 H ARG 5 -10.923 2.167 7.122 35 HA ARG 5 HA ARG 5 -11.105 3.655 4.809 36 2HB ARG 5 2HB ARG 5 -12.696 5.321 6.571 37 2HG ARG 5 2HG ARG 5 -13.638 3.953 4.025 38 2HD ARG 5 2HD ARG 5 -14.024 6.795 5.076 39 HE ARG 5 HE ARG 5 -15.902 5.768 3.128 40 1HH1 ARG 5 1HH1 ARG 5 -14.488 7.471 0.429 41 2HH1 ARG 5 2HH1 ARG 5 -15.875 6.607 1.001 42 1HH2 ARG 5 1HH2 ARG 5 -12.658 7.778 1.822 43 2HH2 ARG 5 2HH2 ARG 5 -12.678 7.143 3.433 44 H LEU 6 H LEU 6 -10.903 3.508 8.379 45 HA LEU 6 HA LEU 6 -9.554 5.952 8.731 46 2HB LEU 6 2HB LEU 6 -8.904 4.881 10.929 47 HG LEU 6 HG LEU 6 -11.781 5.081 10.069 48 1HD1 LEU 6 1HD1 LEU 6 -12.518 3.824 11.738 49 2HD1 LEU 6 2HD1 LEU 6 -10.847 3.468 12.238 50 3HD1 LEU 6 3HD1 LEU 6 -11.689 4.891 12.899 51 1HD2 LEU 6 1HD2 LEU 6 -11.793 6.961 11.663 52 2HD2 LEU 6 2HD2 LEU 6 -10.073 6.659 12.014 53 3HD2 LEU 6 3HD2 LEU 6 -10.573 7.161 10.381 54 H GLY 7 H GLY 7 -8.563 2.700 7.724 55 1HA GLY 7 1HA GLY 7 -6.169 3.504 6.603 56 2HA GLY 7 2HA GLY 7 -5.785 3.023 8.243 57 H ARG 8 H ARG 8 -8.393 1.684 6.132 58 HA ARG 8 HA ARG 8 -6.809 -0.695 5.784 59 2HB ARG 8 2HB ARG 8 -8.967 -2.045 6.441 60 2HG ARG 8 2HG ARG 8 -7.083 -0.646 8.362 61 2HD ARG 8 2HD ARG 8 -9.258 -2.673 9.084 62 HE ARG 8 HE ARG 8 -6.740 -2.081 10.377 63 1HH1 ARG 8 1HH1 ARG 8 -7.664 -3.414 13.468 64 2HH1 ARG 8 2HH1 ARG 8 -6.343 -2.885 12.479 65 1HH2 ARG 8 1HH2 ARG 8 -9.836 -3.304 12.657 66 2HH2 ARG 8 2HH2 ARG 8 -10.137 -2.696 11.065 67 H LYS 9 H LYS 9 -8.146 1.674 4.250 68 HA LYS 9 HA LYS 9 -9.239 -0.011 2.151 69 2HB LYS 9 2HB LYS 9 -10.766 2.310 3.369 70 2HG LYS 9 2HG LYS 9 -10.769 2.004 0.763 71 2HD LYS 9 2HD LYS 9 -12.932 0.061 0.943 72 2HE LYS 9 2HE LYS 9 -10.489 0.607 -0.679 73 1HZ LYS 9 1HZ LYS 9 -10.123 -1.494 -1.321 74 2HZ LYS 9 2HZ LYS 9 -10.622 -1.859 0.192 75 3HZ LYS 9 3HZ LYS 9 -11.656 -1.998 -1.065 76 H ILE 10 H ILE 10 -8.224 3.250 3.316 77 HA ILE 10 HA ILE 10 -7.978 4.564 0.964 78 HB ILE 10 HB ILE 10 -6.072 4.609 3.308 79 2HG1 ILE 10 2HG1 ILE 10 -8.581 4.946 3.734 80 1HG2 ILE 10 1HG2 ILE 10 -5.104 6.495 2.500 81 2HG2 ILE 10 2HG2 ILE 10 -5.540 5.747 0.946 82 3HG2 ILE 10 3HG2 ILE 10 -6.571 7.021 1.639 83 1HD1 ILE 10 1HD1 ILE 10 -8.070 7.124 5.061 84 2HD1 ILE 10 2HD1 ILE 10 -7.104 5.680 5.446 85 3HD1 ILE 10 3HD1 ILE 10 -6.417 6.963 4.421 86 H ALA 11 H ALA 11 -5.528 2.331 2.440 87 HA ALA 11 HA ALA 11 -4.763 1.398 -0.128 88 1HB ALA 11 1HB ALA 11 -2.269 2.310 0.642 89 2HB ALA 11 2HB ALA 11 -3.298 3.058 -0.603 90 3HB ALA 11 3HB ALA 11 -3.323 3.681 1.063 91 H HIS 12 H HIS 12 -2.574 0.017 0.241 92 HA HIS 12 HA HIS 12 -2.477 -0.988 2.950 93 2HB HIS 12 2HB HIS 12 -4.276 -2.200 1.439 94 HD1 HIS 12 1HD HIS 12 -0.866 -2.457 0.147 95 HD2 HIS 12 2HD HIS 12 -4.280 -4.895 0.178 96 HE1 HIS 12 1HE HIS 12 -0.505 -4.215 -1.667 97 H GLY 13 H GLY 13 -1.358 -1.141 -0.475 98 1HA GLY 13 1HA GLY 13 1.172 -2.317 0.249 99 2HA GLY 13 2HA GLY 13 0.658 -1.758 -1.330 100 H VAL 14 H VAL 14 -0.223 0.886 0.206 101 HA VAL 14 HA VAL 14 2.093 2.332 -0.482 102 HB VAL 14 HB VAL 14 -0.388 3.018 -0.411 103 1HG1 VAL 14 1HG1 VAL 14 -1.167 4.098 1.615 104 2HG1 VAL 14 2HG1 VAL 14 -0.730 2.412 1.979 105 3HG1 VAL 14 3HG1 VAL 14 0.367 3.735 2.441 106 1HG2 VAL 14 1HG2 VAL 14 0.250 5.209 -0.612 107 2HG2 VAL 14 2HG2 VAL 14 1.296 5.156 0.826 108 3HG2 VAL 14 3HG2 VAL 14 1.850 4.436 -0.704 109 H LYS 15 H LYS 15 0.885 0.830 2.510 110 HA LYS 15 HA LYS 15 2.498 2.235 4.303 111 2HB LYS 15 2HB LYS 15 2.118 0.161 5.740 112 2HG LYS 15 2HG LYS 15 -0.513 0.544 5.546 113 2HD LYS 15 2HD LYS 15 1.367 2.858 6.214 114 2HE LYS 15 2HE LYS 15 -1.149 2.214 7.735 115 1HZ LYS 15 1HZ LYS 15 0.378 4.011 8.314 116 2HZ LYS 15 2HZ LYS 15 0.089 4.739 6.882 117 3HZ LYS 15 3HZ LYS 15 -1.117 4.566 7.968 118 H LYS 16 H LYS 16 3.202 -0.241 1.915 119 HA LYS 16 HA LYS 16 5.859 -0.581 3.114 120 2HB LYS 16 2HB LYS 16 5.404 -2.750 2.863 121 2HG LYS 16 2HG LYS 16 3.466 -3.587 1.485 122 2HD LYS 16 2HD LYS 16 2.022 -1.458 2.831 123 2HE LYS 16 2HE LYS 16 1.379 -3.315 4.350 124 1HZ LYS 16 1HZ LYS 16 0.666 -4.863 2.601 125 2HZ LYS 16 2HZ LYS 16 0.308 -3.307 2.257 126 3HZ LYS 16 3HZ LYS 16 1.563 -4.040 1.511 127 H TYR 17 H TYR 17 4.011 0.224 0.138 128 HA TYR 17 HA TYR 17 6.415 0.700 -1.361 129 2HB TYR 17 2HB TYR 17 4.357 1.820 -2.775 130 HD1 TYR 17 1HD TYR 17 4.492 0.757 -4.823 131 HD2 TYR 17 2HD TYR 17 4.531 -1.624 -1.269 132 HE1 TYR 17 1HE TYR 17 4.731 -1.349 -6.227 133 HE2 TYR 17 2HE TYR 17 4.769 -3.721 -2.686 134 HH TYR 17 HH TYR 17 4.791 -4.546 -4.686 135 H GLY 18 H GLY 18 3.828 2.681 0.215 136 1HA GLY 18 1HA GLY 18 4.531 5.186 -0.636 137 2HA GLY 18 2HA GLY 18 3.857 4.813 0.937 138 HA PRO 19 HA PRO 19 7.736 5.415 2.832 139 2HB PRO 19 2HB PRO 19 7.153 4.460 4.843 140 2HG PRO 19 2HG PRO 19 5.554 2.805 4.696 141 2HD PRO 19 2HD PRO 19 4.523 3.407 2.731 142 H THR 20 H THR 20 7.754 2.202 1.417 143 HA THR 20 HA THR 20 9.641 1.031 0.778 144 HB THR 20 HB THR 20 8.421 1.932 -1.189 145 HG1 THR 20 1HG THR 20 10.187 1.164 -2.278 146 1HG2 THR 20 1HG2 THR 20 8.973 4.011 -2.223 147 2HG2 THR 20 2HG2 THR 20 8.912 4.429 -0.495 148 3HG2 THR 20 3HG2 THR 20 10.481 4.170 -1.292 149 H VAL 21 H VAL 21 10.515 2.369 3.017 150 HA VAL 21 HA VAL 21 12.369 4.190 3.083 151 HB VAL 21 HB VAL 21 12.624 3.234 5.052 152 1HG1 VAL 21 1HG1 VAL 21 10.675 1.935 4.870 153 2HG1 VAL 21 2HG1 VAL 21 11.417 0.818 3.697 154 3HG1 VAL 21 3HG1 VAL 21 11.919 0.780 5.405 155 1HG2 VAL 21 1HG2 VAL 21 14.826 2.615 4.446 156 2HG2 VAL 21 2HG2 VAL 21 14.133 1.184 5.249 157 3HG2 VAL 21 3HG2 VAL 21 14.258 1.236 3.474 158 H LEU 22 H LEU 22 14.470 4.659 2.396 159 HA LEU 22 HA LEU 22 16.318 2.960 1.390 160 2HB LEU 22 2HB LEU 22 14.234 3.626 -0.647 161 HG LEU 22 HG LEU 22 15.889 2.755 -2.381 162 1HD1 LEU 22 1HD1 LEU 22 16.164 4.860 -3.168 163 2HD1 LEU 22 2HD1 LEU 22 15.032 5.238 -1.847 164 3HD1 LEU 22 3HD1 LEU 22 16.780 5.485 -1.620 165 1HD2 LEU 22 1HD2 LEU 22 17.752 3.352 -0.117 166 2HD2 LEU 22 2HD2 LEU 22 17.778 2.026 -1.305 167 3HD2 LEU 22 3HD2 LEU 22 18.287 3.663 -1.786 168 H ARG 23 H ARG 23 14.763 5.918 -0.046 169 HA ARG 23 HA ARG 23 17.329 7.210 0.307 170 2HB ARG 23 2HB ARG 23 16.519 7.430 -1.949 171 2HG ARG 23 2HG ARG 23 13.900 7.576 -0.599 172 2HD ARG 23 2HD ARG 23 13.829 9.110 -3.138 173 HE ARG 23 HE ARG 23 12.064 8.706 -1.084 174 1HH1 ARG 23 1HH1 ARG 23 10.455 11.788 -0.782 175 2HH1 ARG 23 2HH1 ARG 23 10.351 10.087 -0.468 176 1HH2 ARG 23 1HH2 ARG 23 12.333 12.662 -1.827 177 2HH2 ARG 23 2HH2 ARG 23 13.631 11.613 -2.295 178 H ILE 24 H ILE 24 14.765 6.698 2.209 179 HA ILE 24 HA ILE 24 14.762 9.448 3.236 180 HB ILE 24 HB ILE 24 12.417 8.749 4.099 181 2HG1 ILE 24 2HG1 ILE 24 12.911 6.364 3.032 182 1HG2 ILE 24 1HG2 ILE 24 11.584 10.161 2.557 183 2HG2 ILE 24 2HG2 ILE 24 13.294 10.368 2.112 184 3HG2 ILE 24 3HG2 ILE 24 12.262 9.248 1.187 185 1HD1 ILE 24 1HD1 ILE 24 10.704 5.944 3.487 186 2HD1 ILE 24 2HD1 ILE 24 10.703 7.621 4.082 187 3HD1 ILE 24 3HD1 ILE 24 10.136 7.261 2.434 188 H ILE 25 H ILE 25 14.444 5.919 3.924 189 HA ILE 25 HA ILE 25 15.397 6.523 6.637 190 HB ILE 25 HB ILE 25 14.132 3.920 6.220 191 2HG1 ILE 25 2HG1 ILE 25 12.694 5.048 4.681 192 1HG2 ILE 25 1HG2 ILE 25 13.732 6.175 8.205 193 2HG2 ILE 25 2HG2 ILE 25 12.983 4.564 8.307 194 3HG2 ILE 25 3HG2 ILE 25 14.750 4.731 8.416 195 1HD1 ILE 25 1HD1 ILE 25 11.720 3.736 6.784 196 2HD1 ILE 25 2HD1 ILE 25 11.123 5.349 7.239 197 3HD1 ILE 25 3HD1 ILE 25 10.631 4.623 5.691 198 H ARG 26 H ARG 26 15.647 4.429 3.731 199 HA ARG 26 HA ARG 26 17.123 2.951 3.127 200 2HB ARG 26 2HB ARG 26 19.015 4.097 2.578 201 2HG ARG 26 2HG ARG 26 18.582 6.216 4.672 202 2HD ARG 26 2HD ARG 26 18.526 7.203 1.993 203 HE ARG 26 HE ARG 26 21.094 7.380 3.287 204 1HH1 ARG 26 1HH1 ARG 26 20.324 10.214 5.173 205 2HH1 ARG 26 2HH1 ARG 26 21.596 9.203 4.571 206 1HH2 ARG 26 1HH2 ARG 26 18.112 9.717 4.676 207 2HH2 ARG 26 2HH2 ARG 26 17.734 8.334 3.702 208 H ILE 27 H ILE 27 16.147 2.950 6.132 209 HA ILE 27 HA ILE 27 18.199 1.065 7.060 210 HB ILE 27 HB ILE 27 16.521 2.922 8.750 211 2HG1 ILE 27 2HG1 ILE 27 18.801 3.542 7.245 212 1HG2 ILE 27 1HG2 ILE 27 18.281 2.135 10.487 213 2HG2 ILE 27 2HG2 ILE 27 16.902 1.079 10.101 214 3HG2 ILE 27 3HG2 ILE 27 18.501 0.752 9.389 215 1HD1 ILE 27 1HD1 ILE 27 18.415 5.663 8.083 216 2HD1 ILE 27 2HD1 ILE 27 16.878 4.905 8.568 217 3HD1 ILE 27 3HD1 ILE 27 18.198 5.079 9.750 218 H ALA 28 H ALA 28 14.711 2.037 7.180 219 HA ALA 28 HA ALA 28 12.868 0.807 7.158 220 1HB ALA 28 1HB ALA 28 14.047 -1.863 6.850 221 2HB ALA 28 2HB ALA 28 12.924 -0.985 5.785 222 3HB ALA 28 3HB ALA 28 14.676 -0.698 5.660 223 H GLY 29 H GLY 29 14.059 1.516 9.595 224 1HA GLY 29 1HA GLY 29 14.258 -0.769 11.326 225 2HA GLY 29 2HA GLY 29 14.279 0.924 11.775 Start of MODEL 36 1 H ARG 1 H ARG 1 -11.170 7.704 14.338 2 HA ARG 1 HA ARG 1 -10.995 6.861 11.558 3 2HB ARG 1 2HB ARG 1 -9.060 6.327 13.868 4 2HG ARG 1 2HG ARG 1 -8.336 5.936 10.976 5 2HD ARG 1 2HD ARG 1 -6.940 5.589 13.269 6 HE ARG 1 HE ARG 1 -7.998 3.767 14.341 7 1HH1 ARG 1 1HH1 ARG 1 -8.404 0.496 13.196 8 2HH1 ARG 1 2HH1 ARG 1 -8.489 1.548 14.571 9 1HH2 ARG 1 1HH2 ARG 1 -7.792 1.342 11.124 10 2HH2 ARG 1 2HH2 ARG 1 -7.421 3.024 10.951 11 H GLY 2 H GLY 2 -12.243 5.066 11.138 12 1HA GLY 2 1HA GLY 2 -12.112 2.606 12.016 13 2HA GLY 2 2HA GLY 2 -12.972 3.312 13.371 14 H LEU 3 H LEU 3 -13.076 2.799 9.808 15 HA LEU 3 HA LEU 3 -15.888 2.334 9.958 16 2HB LEU 3 2HB LEU 3 -16.058 4.179 8.000 17 HG LEU 3 HG LEU 3 -17.235 3.934 10.444 18 1HD1 LEU 3 1HD1 LEU 3 -15.102 5.575 11.035 19 2HD1 LEU 3 2HD1 LEU 3 -16.431 6.730 10.766 20 3HD1 LEU 3 3HD1 LEU 3 -16.607 5.433 11.974 21 1HD2 LEU 3 1HD2 LEU 3 -17.556 6.489 8.890 22 2HD2 LEU 3 2HD2 LEU 3 -18.022 4.922 8.183 23 3HD2 LEU 3 3HD2 LEU 3 -18.790 5.482 9.689 24 H ARG 4 H ARG 4 -16.634 2.224 7.383 25 HA ARG 4 HA ARG 4 -14.876 0.209 6.408 26 2HB ARG 4 2HB ARG 4 -16.764 0.328 4.478 27 2HG ARG 4 2HG ARG 4 -18.252 -1.083 5.980 28 2HD ARG 4 2HD ARG 4 -15.305 -1.783 6.332 29 HE ARG 4 HE ARG 4 -17.287 -3.809 5.602 30 1HH1 ARG 4 1HH1 ARG 4 -17.267 -5.253 8.778 31 2HH1 ARG 4 2HH1 ARG 4 -17.755 -5.445 7.129 32 1HH2 ARG 4 1HH2 ARG 4 -16.138 -3.337 9.441 33 2HH2 ARG 4 2HH2 ARG 4 -15.783 -2.097 8.283 34 H ARG 5 H ARG 5 -13.359 2.450 6.320 35 HA ARG 5 HA ARG 5 -12.640 2.655 3.699 36 2HB ARG 5 2HB ARG 5 -13.530 5.404 4.173 37 2HG ARG 5 2HG ARG 5 -13.674 3.308 2.024 38 2HD ARG 5 2HD ARG 5 -15.444 5.802 2.080 39 HE ARG 5 HE ARG 5 -14.510 4.122 -0.149 40 1HH1 ARG 5 1HH1 ARG 5 -16.513 5.813 -2.452 41 2HH1 ARG 5 2HH1 ARG 5 -15.212 4.687 -2.248 42 1HH2 ARG 5 1HH2 ARG 5 -17.542 6.747 -0.593 43 2HH2 ARG 5 2HH2 ARG 5 -17.008 6.319 0.998 44 H LEU 6 H LEU 6 -12.897 4.133 6.937 45 HA LEU 6 HA LEU 6 -10.522 5.697 6.647 46 2HB LEU 6 2HB LEU 6 -10.833 6.032 9.104 47 HG LEU 6 HG LEU 6 -13.071 6.634 7.190 48 1HD1 LEU 6 1HD1 LEU 6 -13.466 6.340 9.983 49 2HD1 LEU 6 2HD1 LEU 6 -13.469 8.084 9.623 50 3HD1 LEU 6 3HD1 LEU 6 -14.586 6.996 8.765 51 1HD2 LEU 6 1HD2 LEU 6 -11.982 8.547 6.884 52 2HD2 LEU 6 2HD2 LEU 6 -11.903 8.858 8.634 53 3HD2 LEU 6 3HD2 LEU 6 -10.649 7.870 7.847 54 H GLY 7 H GLY 7 -11.417 2.698 8.489 55 1HA GLY 7 1HA GLY 7 -9.151 2.009 9.704 56 2HA GLY 7 2HA GLY 7 -10.147 0.846 8.851 57 H ARG 8 H ARG 8 -9.530 0.072 6.765 58 HA ARG 8 HA ARG 8 -7.007 1.119 5.795 59 2HB ARG 8 2HB ARG 8 -7.654 -1.849 6.178 60 2HG ARG 8 2HG ARG 8 -4.916 -0.863 5.445 61 2HD ARG 8 2HD ARG 8 -5.690 -3.064 3.867 62 HE ARG 8 HE ARG 8 -3.810 -2.550 5.954 63 1HH1 ARG 8 1HH1 ARG 8 -2.435 -5.755 6.083 64 2HH1 ARG 8 2HH1 ARG 8 -2.214 -4.090 6.506 65 1HH2 ARG 8 1HH2 ARG 8 -4.349 -6.422 4.955 66 2HH2 ARG 8 2HH2 ARG 8 -5.559 -5.255 4.536 67 H LYS 9 H LYS 9 -8.446 2.153 4.178 68 HA LYS 9 HA LYS 9 -9.303 0.217 2.147 69 2HB LYS 9 2HB LYS 9 -10.798 2.712 3.008 70 2HG LYS 9 2HG LYS 9 -10.749 1.370 0.498 71 2HD LYS 9 2HD LYS 9 -13.474 0.975 1.757 72 2HE LYS 9 2HE LYS 9 -11.969 -0.092 -0.663 73 1HZ LYS 9 1HZ LYS 9 -13.783 -1.479 0.901 74 2HZ LYS 9 2HZ LYS 9 -14.556 -1.072 -0.480 75 3HZ LYS 9 3HZ LYS 9 -13.160 -1.920 -0.543 76 H ILE 10 H ILE 10 -8.201 3.549 2.968 77 HA ILE 10 HA ILE 10 -7.899 4.595 0.483 78 HB ILE 10 HB ILE 10 -6.028 4.859 2.838 79 2HG1 ILE 10 2HG1 ILE 10 -8.534 5.290 3.185 80 1HG2 ILE 10 1HG2 ILE 10 -5.826 7.229 1.710 81 2HG2 ILE 10 2HG2 ILE 10 -4.816 5.865 1.174 82 3HG2 ILE 10 3HG2 ILE 10 -6.259 6.325 0.240 83 1HD1 ILE 10 1HD1 ILE 10 -6.945 7.816 3.625 84 2HD1 ILE 10 2HD1 ILE 10 -8.038 6.958 4.740 85 3HD1 ILE 10 3HD1 ILE 10 -6.406 6.320 4.424 86 H ALA 11 H ALA 11 -5.539 2.475 2.242 87 HA ALA 11 HA ALA 11 -4.752 1.251 -0.196 88 1HB ALA 11 1HB ALA 11 -3.248 3.595 0.806 89 2HB ALA 11 2HB ALA 11 -2.249 2.157 0.487 90 3HB ALA 11 3HB ALA 11 -3.258 2.846 -0.808 91 H HIS 12 H HIS 12 -2.607 -0.135 0.367 92 HA HIS 12 HA HIS 12 -2.587 -0.846 3.169 93 2HB HIS 12 2HB HIS 12 -4.394 -2.167 1.762 94 HD1 HIS 12 1HD HIS 12 -0.973 -2.649 0.569 95 HD2 HIS 12 2HD HIS 12 -4.450 -4.984 0.805 96 HE1 HIS 12 1HE HIS 12 -0.632 -4.603 -1.035 97 H GLY 13 H GLY 13 -1.414 -1.396 -0.194 98 1HA GLY 13 1HA GLY 13 1.069 -2.554 0.702 99 2HA GLY 13 2HA GLY 13 0.599 -2.154 -0.938 100 H VAL 14 H VAL 14 -0.233 0.661 0.284 101 HA VAL 14 HA VAL 14 2.134 1.963 -0.508 102 HB VAL 14 HB VAL 14 -0.329 2.717 -0.557 103 1HG1 VAL 14 1HG1 VAL 14 -0.667 2.379 1.910 104 2HG1 VAL 14 2HG1 VAL 14 0.390 3.783 2.191 105 3HG1 VAL 14 3HG1 VAL 14 -1.145 3.985 1.311 106 1HG2 VAL 14 1HG2 VAL 14 2.166 4.212 -0.283 107 2HG2 VAL 14 2HG2 VAL 14 0.813 4.441 -1.417 108 3HG2 VAL 14 3HG2 VAL 14 0.747 5.168 0.206 109 H LYS 15 H LYS 15 0.835 0.821 2.602 110 HA LYS 15 HA LYS 15 2.458 2.372 4.266 111 2HB LYS 15 2HB LYS 15 2.009 -0.044 5.589 112 2HG LYS 15 2HG LYS 15 0.633 2.632 5.374 113 2HD LYS 15 2HD LYS 15 -0.552 1.252 7.551 114 2HE LYS 15 2HE LYS 15 -1.614 3.065 6.227 115 1HZ LYS 15 1HZ LYS 15 -0.860 1.636 4.095 116 2HZ LYS 15 2HZ LYS 15 -2.461 1.315 4.144 117 3HZ LYS 15 3HZ LYS 15 -1.939 2.860 4.057 118 H LYS 16 H LYS 16 3.125 -0.372 2.177 119 HA LYS 16 HA LYS 16 5.751 -0.653 3.456 120 2HB LYS 16 2HB LYS 16 5.236 -2.823 3.430 121 2HG LYS 16 2HG LYS 16 3.301 -3.749 2.107 122 2HD LYS 16 2HD LYS 16 1.897 -1.448 3.194 123 2HE LYS 16 2HE LYS 16 2.385 -4.060 4.656 124 1HZ LYS 16 1HZ LYS 16 -0.252 -3.287 4.373 125 2HZ LYS 16 2HZ LYS 16 0.649 -3.289 5.733 126 3HZ LYS 16 3HZ LYS 16 0.585 -1.951 4.798 127 H TYR 17 H TYR 17 3.980 -0.120 0.376 128 HA TYR 17 HA TYR 17 6.425 0.131 -1.113 129 2HB TYR 17 2HB TYR 17 4.426 1.136 -2.687 130 HD1 TYR 17 1HD TYR 17 4.058 -2.137 -0.879 131 HD2 TYR 17 2HD TYR 17 5.008 -0.138 -4.540 132 HE1 TYR 17 1HE TYR 17 4.278 -4.380 -2.056 133 HE2 TYR 17 2HE TYR 17 5.223 -2.389 -5.706 134 HH TYR 17 HH TYR 17 5.296 -5.332 -3.934 135 H GLY 18 H GLY 18 3.857 2.328 0.179 136 1HA GLY 18 1HA GLY 18 4.621 4.711 -0.924 137 2HA GLY 18 2HA GLY 18 3.934 4.524 0.677 138 HA PRO 19 HA PRO 19 7.822 5.230 2.522 139 2HB PRO 19 2HB PRO 19 7.232 4.462 4.611 140 2HG PRO 19 2HG PRO 19 5.615 2.816 4.611 141 2HD PRO 19 2HD PRO 19 4.589 3.254 2.600 142 H THR 20 H THR 20 8.553 1.819 2.686 143 HA THR 20 HA THR 20 10.513 0.853 2.088 144 HB THR 20 HB THR 20 8.827 0.436 0.268 145 HG1 THR 20 1HG THR 20 10.537 -0.292 -1.107 146 1HG2 THR 20 1HG2 THR 20 10.351 2.589 -1.275 147 2HG2 THR 20 2HG2 THR 20 8.911 1.686 -1.802 148 3HG2 THR 20 3HG2 THR 20 8.773 2.909 -0.516 149 H VAL 21 H VAL 21 10.830 3.697 2.891 150 HA VAL 21 HA VAL 21 12.224 5.441 2.582 151 HB VAL 21 HB VAL 21 14.106 4.806 3.573 152 1HG1 VAL 21 1HG1 VAL 21 13.307 1.915 3.216 153 2HG1 VAL 21 2HG1 VAL 21 14.074 2.703 4.616 154 3HG1 VAL 21 3HG1 VAL 21 12.364 3.025 4.237 155 1HG2 VAL 21 1HG2 VAL 21 14.540 3.346 1.024 156 2HG2 VAL 21 2HG2 VAL 21 15.615 4.449 1.916 157 3HG2 VAL 21 3HG2 VAL 21 15.452 2.754 2.433 158 H LEU 22 H LEU 22 14.629 5.840 1.233 159 HA LEU 22 HA LEU 22 15.601 5.842 -0.834 160 2HB LEU 22 2HB LEU 22 13.016 5.098 -2.164 161 HG LEU 22 HG LEU 22 15.847 5.200 -2.957 162 1HD1 LEU 22 1HD1 LEU 22 14.218 2.710 -3.502 163 2HD1 LEU 22 2HD1 LEU 22 15.639 3.195 -4.455 164 3HD1 LEU 22 3HD1 LEU 22 15.813 2.829 -2.721 165 1HD2 LEU 22 1HD2 LEU 22 13.649 6.309 -3.926 166 2HD2 LEU 22 2HD2 LEU 22 15.006 5.844 -4.981 167 3HD2 LEU 22 3HD2 LEU 22 13.576 4.791 -4.852 168 H ARG 23 H ARG 23 12.177 6.676 -1.637 169 HA ARG 23 HA ARG 23 13.084 9.274 -2.373 170 2HB ARG 23 2HB ARG 23 11.411 8.157 -3.780 171 2HG ARG 23 2HG ARG 23 10.000 7.848 -1.138 172 2HD ARG 23 2HD ARG 23 8.181 7.419 -3.387 173 HE ARG 23 HE ARG 23 8.001 8.197 -0.683 174 1HH1 ARG 23 1HH1 ARG 23 4.783 9.546 -0.721 175 2HH1 ARG 23 2HH1 ARG 23 6.048 8.900 0.271 176 1HH2 ARG 23 1HH2 ARG 23 5.072 9.694 -3.020 177 2HH2 ARG 23 2HH2 ARG 23 6.554 9.160 -3.742 178 H ILE 24 H ILE 24 12.825 8.126 0.568 179 HA ILE 24 HA ILE 24 11.530 10.535 1.606 180 HB ILE 24 HB ILE 24 10.814 8.872 3.525 181 2HG1 ILE 24 2HG1 ILE 24 11.915 6.978 2.053 182 1HG2 ILE 24 1HG2 ILE 24 9.223 10.270 2.494 183 2HG2 ILE 24 2HG2 ILE 24 9.381 9.441 0.928 184 3HG2 ILE 24 3HG2 ILE 24 8.599 8.614 2.296 185 1HD1 ILE 24 1HD1 ILE 24 10.930 6.313 4.093 186 2HD1 ILE 24 2HD1 ILE 24 9.325 6.926 3.624 187 3HD1 ILE 24 3HD1 ILE 24 9.959 5.436 2.884 188 H ILE 25 H ILE 25 13.684 7.691 2.181 189 HA ILE 25 HA ILE 25 15.165 9.384 4.069 190 HB ILE 25 HB ILE 25 15.636 6.473 4.049 191 2HG1 ILE 25 2HG1 ILE 25 13.242 6.430 3.699 192 1HG2 ILE 25 1HG2 ILE 25 16.642 7.123 5.918 193 2HG2 ILE 25 2HG2 ILE 25 15.918 8.746 5.812 194 3HG2 ILE 25 3HG2 ILE 25 15.034 7.426 6.616 195 1HD1 ILE 25 1HD1 ILE 25 13.167 6.098 6.634 196 2HD1 ILE 25 2HD1 ILE 25 12.906 4.895 5.348 197 3HD1 ILE 25 3HD1 ILE 25 14.560 5.293 5.871 198 H ARG 26 H ARG 26 15.178 7.628 1.029 199 HA ARG 26 HA ARG 26 16.736 7.169 -0.420 200 2HB ARG 26 2HB ARG 26 17.623 9.101 -1.348 201 2HG ARG 26 2HG ARG 26 16.594 11.017 0.558 202 2HD ARG 26 2HD ARG 26 14.655 10.625 -1.433 203 HE ARG 26 HE ARG 26 16.721 12.359 -2.354 204 1HH1 ARG 26 1HH1 ARG 26 15.894 15.116 -0.380 205 2HH1 ARG 26 2HH1 ARG 26 16.755 14.571 -1.781 206 1HH2 ARG 26 1HH2 ARG 26 14.705 13.598 0.913 207 2HH2 ARG 26 2HH2 ARG 26 14.679 11.922 0.478 208 H ILE 27 H ILE 27 17.347 6.568 2.580 209 HA ILE 27 HA ILE 27 20.245 6.234 2.226 210 HB ILE 27 HB ILE 27 18.716 6.700 4.791 211 2HG1 ILE 27 2HG1 ILE 27 19.557 8.565 2.877 212 1HG2 ILE 27 1HG2 ILE 27 20.820 5.159 4.749 213 2HG2 ILE 27 2HG2 ILE 27 21.709 6.689 4.556 214 3HG2 ILE 27 3HG2 ILE 27 20.676 6.435 5.981 215 1HD1 ILE 27 1HD1 ILE 27 17.924 8.552 5.028 216 2HD1 ILE 27 2HD1 ILE 27 19.324 9.371 5.759 217 3HD1 ILE 27 3HD1 ILE 27 18.541 10.064 4.320 218 H ALA 28 H ALA 28 17.257 4.923 3.813 219 HA ALA 28 HA ALA 28 16.554 2.840 4.079 220 1HB ALA 28 1HB ALA 28 17.505 2.750 1.614 221 2HB ALA 28 2HB ALA 28 18.756 1.722 2.355 222 3HB ALA 28 3HB ALA 28 17.044 1.249 2.454 223 H GLY 29 H GLY 29 18.178 3.970 6.035 224 1HA GLY 29 1HA GLY 29 20.177 1.953 6.746 225 2HA GLY 29 2HA GLY 29 19.924 3.514 7.500 Start of MODEL 37 1 H ARG 1 H ARG 1 -6.928 -10.501 2.559 2 HA ARG 1 HA ARG 1 -4.892 -10.490 1.250 3 2HB ARG 1 2HB ARG 1 -5.120 -10.973 -1.207 4 2HG ARG 1 2HG ARG 1 -5.809 -13.121 0.821 5 2HD ARG 1 2HD ARG 1 -6.735 -13.513 -1.656 6 HE ARG 1 HE ARG 1 -3.823 -13.553 -2.043 7 1HH1 ARG 1 1HH1 ARG 1 -4.117 -14.665 -5.337 8 2HH1 ARG 1 2HH1 ARG 1 -3.049 -14.007 -4.146 9 1HH2 ARG 1 1HH2 ARG 1 -6.337 -15.084 -4.803 10 2HH2 ARG 1 2HH2 ARG 1 -6.923 -14.741 -3.211 11 H GLY 2 H GLY 2 -8.300 -9.634 0.677 12 1HA GLY 2 1HA GLY 2 -7.467 -6.866 0.135 13 2HA GLY 2 2HA GLY 2 -8.561 -7.665 -0.976 14 H LEU 3 H LEU 3 -9.447 -5.371 0.286 15 HA LEU 3 HA LEU 3 -11.466 -6.484 2.088 16 2HB LEU 3 2HB LEU 3 -11.184 -4.061 3.176 17 HG LEU 3 HG LEU 3 -10.026 -6.684 3.874 18 1HD1 LEU 3 1HD1 LEU 3 -8.383 -6.044 5.355 19 2HD1 LEU 3 2HD1 LEU 3 -8.120 -4.897 4.020 20 3HD1 LEU 3 3HD1 LEU 3 -8.989 -4.376 5.483 21 1HD2 LEU 3 1HD2 LEU 3 -11.490 -6.571 5.565 22 2HD2 LEU 3 2HD2 LEU 3 -11.033 -4.903 5.985 23 3HD2 LEU 3 3HD2 LEU 3 -12.187 -5.204 4.663 24 H ARG 4 H ARG 4 -13.161 -4.461 2.441 25 HA ARG 4 HA ARG 4 -14.261 -4.178 -0.103 26 2HB ARG 4 2HB ARG 4 -15.373 -2.256 1.782 27 2HG ARG 4 2HG ARG 4 -16.342 -5.016 0.894 28 2HD ARG 4 2HD ARG 4 -17.411 -3.276 2.841 29 HE ARG 4 HE ARG 4 -18.501 -2.587 0.199 30 1HH1 ARG 4 1HH1 ARG 4 -20.984 -0.560 1.580 31 2HH1 ARG 4 2HH1 ARG 4 -20.164 -1.021 0.126 32 1HH2 ARG 4 1HH2 ARG 4 -20.395 -1.534 3.604 33 2HH2 ARG 4 2HH2 ARG 4 -19.132 -2.719 3.659 34 H ARG 5 H ARG 5 -13.121 -1.655 2.274 35 HA ARG 5 HA ARG 5 -11.586 -0.302 0.456 36 2HB ARG 5 2HB ARG 5 -13.380 0.500 -0.834 37 2HG ARG 5 2HG ARG 5 -14.909 0.336 1.765 38 2HD ARG 5 2HD ARG 5 -15.311 2.659 0.869 39 HE ARG 5 HE ARG 5 -15.686 1.202 -1.656 40 1HH1 ARG 5 1HH1 ARG 5 -16.540 4.106 -3.391 41 2HH1 ARG 5 2HH1 ARG 5 -16.097 2.438 -3.532 42 1HH2 ARG 5 1HH2 ARG 5 -16.717 5.087 -1.294 43 2HH2 ARG 5 2HH2 ARG 5 -16.407 4.150 0.129 44 H LEU 6 H LEU 6 -13.780 -0.245 3.276 45 HA LEU 6 HA LEU 6 -12.507 2.012 4.483 46 2HB LEU 6 2HB LEU 6 -13.904 1.340 6.443 47 HG LEU 6 HG LEU 6 -15.172 1.793 3.757 48 1HD1 LEU 6 1HD1 LEU 6 -17.139 2.084 5.817 49 2HD1 LEU 6 2HD1 LEU 6 -17.176 1.063 4.359 50 3HD1 LEU 6 3HD1 LEU 6 -16.481 0.431 5.871 51 1HD2 LEU 6 1HD2 LEU 6 -15.229 3.950 4.353 52 2HD2 LEU 6 2HD2 LEU 6 -15.759 3.583 6.013 53 3HD2 LEU 6 3HD2 LEU 6 -14.033 3.482 5.584 54 H GLY 7 H GLY 7 -12.587 -1.560 5.154 55 1HA GLY 7 1HA GLY 7 -10.960 -1.823 7.251 56 2HA GLY 7 2HA GLY 7 -10.893 -2.894 5.866 57 H ARG 8 H ARG 8 -9.211 -2.698 4.305 58 HA ARG 8 HA ARG 8 -7.272 -0.621 4.893 59 2HB ARG 8 2HB ARG 8 -5.704 -2.806 4.099 60 2HG ARG 8 2HG ARG 8 -5.545 -1.033 6.076 61 2HD ARG 8 2HD ARG 8 -5.832 -3.033 8.088 62 HE ARG 8 HE ARG 8 -6.708 -0.343 7.638 63 1HH1 ARG 8 1HH1 ARG 8 -8.462 0.004 10.634 64 2HH1 ARG 8 2HH1 ARG 8 -7.735 0.839 9.302 65 1HH2 ARG 8 1HH2 ARG 8 -8.393 -2.315 10.729 66 2HH2 ARG 8 2HH2 ARG 8 -7.612 -3.209 9.468 67 H LYS 9 H LYS 9 -8.156 0.434 2.957 68 HA LYS 9 HA LYS 9 -7.204 -0.857 0.504 69 2HB LYS 9 2HB LYS 9 -9.861 0.564 0.862 70 2HG LYS 9 2HG LYS 9 -8.282 0.491 -1.426 71 2HD LYS 9 2HD LYS 9 -10.041 -1.211 -2.693 72 2HE LYS 9 2HE LYS 9 -7.215 -1.190 -1.977 73 1HZ LYS 9 1HZ LYS 9 -8.201 -3.872 -2.487 74 2HZ LYS 9 2HZ LYS 9 -6.795 -3.399 -1.808 75 3HZ LYS 9 3HZ LYS 9 -8.180 -3.333 -0.946 76 H ILE 10 H ILE 10 -8.175 2.160 2.230 77 HA ILE 10 HA ILE 10 -7.259 3.973 0.370 78 HB ILE 10 HB ILE 10 -7.227 4.189 3.383 79 2HG1 ILE 10 2HG1 ILE 10 -9.413 3.478 2.259 80 1HG2 ILE 10 1HG2 ILE 10 -6.878 6.422 3.208 81 2HG2 ILE 10 2HG2 ILE 10 -6.025 5.917 1.730 82 3HG2 ILE 10 3HG2 ILE 10 -7.687 6.545 1.628 83 1HD1 ILE 10 1HD1 ILE 10 -9.055 4.791 4.507 84 2HD1 ILE 10 2HD1 ILE 10 -9.639 6.196 3.581 85 3HD1 ILE 10 3HD1 ILE 10 -10.680 4.766 3.778 86 H ALA 11 H ALA 11 -5.464 2.623 3.230 87 HA ALA 11 HA ALA 11 -3.001 3.665 2.131 88 1HB ALA 11 1HB ALA 11 -3.562 3.777 4.564 89 2HB ALA 11 2HB ALA 11 -3.528 1.998 4.624 90 3HB ALA 11 3HB ALA 11 -2.044 2.904 4.241 91 H HIS 12 H HIS 12 -2.077 0.925 3.708 92 HA HIS 12 HA HIS 12 -1.040 -0.878 2.965 93 2HB HIS 12 2HB HIS 12 -2.896 -2.135 1.306 94 HD1 HIS 12 1HD HIS 12 -1.079 -1.885 4.388 95 HD2 HIS 12 2HD HIS 12 -4.458 -4.028 3.128 96 HE1 HIS 12 1HE HIS 12 -1.358 -3.814 6.035 97 H GLY 13 H GLY 13 0.704 -0.701 1.652 98 1HA GLY 13 1HA GLY 13 1.662 -1.084 -0.454 99 2HA GLY 13 2HA GLY 13 0.214 -0.482 -1.236 100 H VAL 14 H VAL 14 0.618 1.629 1.290 101 HA VAL 14 HA VAL 14 2.578 3.285 -0.116 102 HB VAL 14 HB VAL 14 0.015 3.700 -0.608 103 1HG1 VAL 14 1HG1 VAL 14 -0.669 3.880 1.738 104 2HG1 VAL 14 2HG1 VAL 14 0.452 5.242 1.973 105 3HG1 VAL 14 3HG1 VAL 14 -0.941 5.414 0.879 106 1HG2 VAL 14 1HG2 VAL 14 2.250 5.065 -1.115 107 2HG2 VAL 14 2HG2 VAL 14 0.634 5.737 -1.448 108 3HG2 VAL 14 3HG2 VAL 14 1.508 6.209 0.031 109 H LYS 15 H LYS 15 0.579 2.621 2.808 110 HA LYS 15 HA LYS 15 2.103 4.361 4.456 111 2HB LYS 15 2HB LYS 15 -0.037 2.299 4.878 112 2HG LYS 15 2HG LYS 15 2.035 3.074 6.819 113 2HD LYS 15 2HD LYS 15 -0.856 3.846 7.300 114 2HE LYS 15 2HE LYS 15 0.349 2.079 9.017 115 1HZ LYS 15 1HZ LYS 15 1.856 4.271 9.323 116 2HZ LYS 15 2HZ LYS 15 0.764 4.459 10.523 117 3HZ LYS 15 3HZ LYS 15 1.672 3.103 10.449 118 H LYS 16 H LYS 16 2.312 0.958 3.433 119 HA LYS 16 HA LYS 16 4.628 0.660 5.211 120 2HB LYS 16 2HB LYS 16 3.688 -1.261 5.810 121 2HG LYS 16 2HG LYS 16 1.588 -2.112 4.647 122 2HD LYS 16 2HD LYS 16 0.502 0.435 4.989 123 2HE LYS 16 2HE LYS 16 1.194 -1.082 7.478 124 1HZ LYS 16 1HZ LYS 16 -0.625 0.056 7.939 125 2HZ LYS 16 2HZ LYS 16 -0.941 0.409 6.376 126 3HZ LYS 16 3HZ LYS 16 -1.468 -0.997 7.018 127 H TYR 17 H TYR 17 3.397 0.520 1.864 128 HA TYR 17 HA TYR 17 5.948 -0.385 0.857 129 2HB TYR 17 2HB TYR 17 4.437 0.421 -1.296 130 HD1 TYR 17 1HD TYR 17 2.838 -1.337 -2.369 131 HD2 TYR 17 2HD TYR 17 5.138 -2.062 1.166 132 HE1 TYR 17 1HE TYR 17 2.619 -3.844 -2.733 133 HE2 TYR 17 2HE TYR 17 4.911 -4.567 0.791 134 HH TYR 17 HH TYR 17 4.544 -6.059 -1.204 135 H GLY 18 H GLY 18 3.947 2.632 0.851 136 1HA GLY 18 1HA GLY 18 5.401 4.236 -0.799 137 2HA GLY 18 2HA GLY 18 4.577 4.787 0.646 138 HA PRO 19 HA PRO 19 8.372 5.110 2.792 139 2HB PRO 19 2HB PRO 19 7.497 5.031 4.920 140 2HG PRO 19 2HG PRO 19 5.570 3.778 5.122 141 2HD PRO 19 2HD PRO 19 4.794 3.873 2.960 142 H THR 20 H THR 20 7.676 1.767 2.159 143 HA THR 20 HA THR 20 10.529 1.165 2.215 144 HB THR 20 HB THR 20 8.415 -0.238 3.137 145 HG1 THR 20 1HG THR 20 10.085 -1.714 3.243 146 1HG2 THR 20 1HG2 THR 20 8.847 -1.832 0.665 147 2HG2 THR 20 2HG2 THR 20 7.353 -1.587 1.600 148 3HG2 THR 20 3HG2 THR 20 7.866 -0.370 0.406 149 H VAL 21 H VAL 21 9.770 3.103 0.277 150 HA VAL 21 HA VAL 21 9.056 2.510 -2.160 151 HB VAL 21 HB VAL 21 10.003 4.483 -2.433 152 1HG1 VAL 21 1HG1 VAL 21 11.821 5.292 -0.796 153 2HG1 VAL 21 2HG1 VAL 21 10.215 4.905 -0.134 154 3HG1 VAL 21 3HG1 VAL 21 11.556 3.749 0.051 155 1HG2 VAL 21 1HG2 VAL 21 12.525 4.595 -2.822 156 2HG2 VAL 21 2HG2 VAL 21 12.549 2.846 -2.496 157 3HG2 VAL 21 3HG2 VAL 21 11.604 3.483 -3.864 158 H LEU 22 H LEU 22 9.761 1.404 -4.033 159 HA LEU 22 HA LEU 22 12.132 0.198 -4.476 160 2HB LEU 22 2HB LEU 22 10.474 -1.378 -2.562 161 HG LEU 22 HG LEU 22 11.388 -2.584 -4.957 162 1HD1 LEU 22 1HD1 LEU 22 13.660 -2.527 -4.096 163 2HD1 LEU 22 2HD1 LEU 22 13.134 -3.314 -2.589 164 3HD1 LEU 22 3HD1 LEU 22 13.049 -4.199 -4.132 165 1HD2 LEU 22 1HD2 LEU 22 10.667 -3.954 -2.356 166 2HD2 LEU 22 2HD2 LEU 22 9.478 -3.229 -3.464 167 3HD2 LEU 22 3HD2 LEU 22 10.493 -4.583 -4.012 168 H ARG 23 H ARG 23 8.908 -1.455 -4.337 169 HA ARG 23 HA ARG 23 9.075 -1.686 -7.198 170 2HB ARG 23 2HB ARG 23 6.995 -3.157 -6.850 171 2HG ARG 23 2HG ARG 23 8.442 -4.779 -5.215 172 2HD ARG 23 2HD ARG 23 8.590 -4.107 -8.130 173 HE ARG 23 HE ARG 23 10.954 -5.011 -6.782 174 1HH1 ARG 23 1HH1 ARG 23 12.397 -6.576 -9.547 175 2HH1 ARG 23 2HH1 ARG 23 12.678 -5.937 -7.962 176 1HH2 ARG 23 1HH2 ARG 23 10.269 -6.490 -10.472 177 2HH2 ARG 23 2HH2 ARG 23 8.963 -5.788 -9.577 178 H ILE 24 H ILE 24 8.223 0.774 -5.309 179 HA ILE 24 HA ILE 24 5.845 1.421 -6.908 180 HB ILE 24 HB ILE 24 5.271 2.866 -4.834 181 2HG1 ILE 24 2HG1 ILE 24 7.592 1.986 -3.824 182 1HG2 ILE 24 1HG2 ILE 24 4.107 0.790 -5.824 183 2HG2 ILE 24 2HG2 ILE 24 4.862 -0.097 -4.479 184 3HG2 ILE 24 3HG2 ILE 24 3.745 1.246 -4.143 185 1HD1 ILE 24 1HD1 ILE 24 5.295 2.128 -1.883 186 2HD1 ILE 24 2HD1 ILE 24 6.883 2.929 -1.819 187 3HD1 ILE 24 3HD1 ILE 24 5.618 3.549 -2.906 188 H ILE 25 H ILE 25 8.696 2.645 -5.048 189 HA ILE 25 HA ILE 25 8.677 4.964 -6.850 190 HB ILE 25 HB ILE 25 10.285 5.148 -4.409 191 2HG1 ILE 25 2HG1 ILE 25 8.583 3.896 -3.340 192 1HG2 ILE 25 1HG2 ILE 25 9.360 6.884 -6.271 193 2HG2 ILE 25 2HG2 ILE 25 8.127 7.080 -5.002 194 3HG2 ILE 25 3HG2 ILE 25 9.845 7.346 -4.621 195 1HD1 ILE 25 1HD1 ILE 25 7.548 6.729 -3.019 196 2HD1 ILE 25 2HD1 ILE 25 7.713 5.458 -1.786 197 3HD1 ILE 25 3HD1 ILE 25 9.160 6.275 -2.422 198 H ARG 26 H ARG 26 10.603 2.354 -5.315 199 HA ARG 26 HA ARG 26 12.618 1.626 -5.681 200 2HB ARG 26 2HB ARG 26 12.522 0.539 -7.679 201 2HG ARG 26 2HG ARG 26 10.626 2.509 -8.937 202 2HD ARG 26 2HD ARG 26 9.610 -0.167 -8.699 203 HE ARG 26 HE ARG 26 10.787 0.563 -11.252 204 1HH1 ARG 26 1HH1 ARG 26 7.886 2.085 -12.456 205 2HH1 ARG 26 2HH1 ARG 26 9.441 1.446 -12.874 206 1HH2 ARG 26 1HH2 ARG 26 7.172 2.046 -10.248 207 2HH2 ARG 26 2HH2 ARG 26 8.190 1.376 -9.018 208 H ILE 27 H ILE 27 12.143 4.748 -5.595 209 HA ILE 27 HA ILE 27 14.813 5.434 -6.615 210 HB ILE 27 HB ILE 27 12.373 7.212 -6.522 211 2HG1 ILE 27 2HG1 ILE 27 12.973 5.198 -8.375 212 1HG2 ILE 27 1HG2 ILE 27 15.249 7.705 -6.957 213 2HG2 ILE 27 2HG2 ILE 27 14.167 8.426 -8.172 214 3HG2 ILE 27 3HG2 ILE 27 13.949 8.810 -6.448 215 1HD1 ILE 27 1HD1 ILE 27 10.834 6.721 -7.749 216 2HD1 ILE 27 2HD1 ILE 27 11.355 7.582 -9.218 217 3HD1 ILE 27 3HD1 ILE 27 10.953 5.851 -9.297 218 H ALA 28 H ALA 28 12.217 6.199 -4.203 219 HA ALA 28 HA ALA 28 12.344 6.746 -2.061 220 1HB ALA 28 1HB ALA 28 13.849 5.561 -0.867 221 2HB ALA 28 2HB ALA 28 14.466 4.984 -2.432 222 3HB ALA 28 3HB ALA 28 15.229 6.382 -1.637 223 H GLY 29 H GLY 29 12.442 8.769 -3.989 224 1HA GLY 29 1HA GLY 29 14.495 10.577 -3.948 225 2HA GLY 29 2HA GLY 29 12.797 10.990 -4.089 Start of MODEL 38 1 H ARG 1 H ARG 1 -9.905 -5.398 -5.629 2 HA ARG 1 HA ARG 1 -8.260 -3.252 -4.727 3 2HB ARG 1 2HB ARG 1 -8.520 -1.945 -6.880 4 2HG ARG 1 2HG ARG 1 -6.782 -4.240 -6.417 5 2HD ARG 1 2HD ARG 1 -8.031 -4.749 -8.732 6 HE ARG 1 HE ARG 1 -6.386 -2.396 -9.369 7 1HH1 ARG 1 1HH1 ARG 1 -7.095 -2.641 -12.777 8 2HH1 ARG 1 2HH1 ARG 1 -6.425 -1.647 -11.529 9 1HH2 ARG 1 1HH2 ARG 1 -7.954 -4.734 -12.260 10 2HH2 ARG 1 2HH2 ARG 1 -7.923 -5.301 -10.623 11 H GLY 2 H GLY 2 -11.249 -4.335 -6.455 12 1HA GLY 2 1HA GLY 2 -12.781 -2.040 -5.640 13 2HA GLY 2 2HA GLY 2 -13.352 -3.478 -6.464 14 H LEU 3 H LEU 3 -12.328 -5.457 -4.569 15 HA LEU 3 HA LEU 3 -14.479 -5.595 -2.835 16 2HB LEU 3 2HB LEU 3 -12.156 -7.005 -1.846 17 HG LEU 3 HG LEU 3 -14.820 -7.595 -2.128 18 1HD1 LEU 3 1HD1 LEU 3 -15.158 -9.302 -3.726 19 2HD1 LEU 3 2HD1 LEU 3 -14.370 -7.964 -4.597 20 3HD1 LEU 3 3HD1 LEU 3 -13.424 -9.392 -4.115 21 1HD2 LEU 3 1HD2 LEU 3 -12.901 -9.874 -1.922 22 2HD2 LEU 3 2HD2 LEU 3 -12.814 -8.574 -0.711 23 3HD2 LEU 3 3HD2 LEU 3 -14.330 -9.481 -0.936 24 H ARG 4 H ARG 4 -14.824 -5.047 -0.674 25 HA ARG 4 HA ARG 4 -14.704 -3.717 1.036 26 2HB ARG 4 2HB ARG 4 -12.001 -3.701 1.850 27 2HG ARG 4 2HG ARG 4 -12.741 -5.797 3.170 28 2HD ARG 4 2HD ARG 4 -14.487 -3.288 3.188 29 HE ARG 4 HE ARG 4 -15.669 -4.681 4.685 30 1HH1 ARG 4 1HH1 ARG 4 -14.524 -6.272 7.572 31 2HH1 ARG 4 2HH1 ARG 4 -15.919 -5.809 6.655 32 1HH2 ARG 4 1HH2 ARG 4 -12.401 -5.744 6.798 33 2HH2 ARG 4 2HH2 ARG 4 -12.210 -4.889 5.304 34 H ARG 5 H ARG 5 -12.993 -1.875 2.162 35 HA ARG 5 HA ARG 5 -11.506 -0.376 0.403 36 2HB ARG 5 2HB ARG 5 -13.748 1.437 0.840 37 2HG ARG 5 2HG ARG 5 -12.399 0.283 -1.644 38 2HD ARG 5 2HD ARG 5 -13.978 2.851 -1.667 39 HE ARG 5 HE ARG 5 -12.683 1.264 -3.614 40 1HH1 ARG 5 1HH1 ARG 5 -14.561 2.226 -6.394 41 2HH1 ARG 5 2HH1 ARG 5 -13.081 1.510 -5.850 42 1HH2 ARG 5 1HH2 ARG 5 -16.140 2.936 -4.847 43 2HH2 ARG 5 2HH2 ARG 5 -15.839 2.749 -3.152 44 H LEU 6 H LEU 6 -13.708 -0.534 3.221 45 HA LEU 6 HA LEU 6 -12.517 1.712 4.530 46 2HB LEU 6 2HB LEU 6 -13.896 0.908 6.452 47 HG LEU 6 HG LEU 6 -15.169 1.440 3.783 48 1HD1 LEU 6 1HD1 LEU 6 -16.971 0.258 4.409 49 2HD1 LEU 6 2HD1 LEU 6 -16.477 0.203 6.119 50 3HD1 LEU 6 3HD1 LEU 6 -17.293 1.648 5.474 51 1HD2 LEU 6 1HD2 LEU 6 -16.005 3.193 5.868 52 2HD2 LEU 6 2HD2 LEU 6 -14.239 3.006 5.974 53 3HD2 LEU 6 3HD2 LEU 6 -14.986 3.544 4.451 54 H GLY 7 H GLY 7 -12.475 -1.886 5.042 55 1HA GLY 7 1HA GLY 7 -10.838 -2.174 7.134 56 2HA GLY 7 2HA GLY 7 -10.746 -3.195 5.714 57 H ARG 8 H ARG 8 -9.070 -2.905 4.165 58 HA ARG 8 HA ARG 8 -7.191 -0.794 4.820 59 2HB ARG 8 2HB ARG 8 -5.558 -2.894 3.943 60 2HG ARG 8 2HG ARG 8 -5.200 -1.279 5.878 61 2HD ARG 8 2HD ARG 8 -7.362 -2.987 7.002 62 HE ARG 8 HE ARG 8 -5.916 -3.813 8.658 63 1HH1 ARG 8 1HH1 ARG 8 -3.739 -2.104 10.785 64 2HH1 ARG 8 2HH1 ARG 8 -4.504 -3.621 10.446 65 1HH2 ARG 8 1HH2 ARG 8 -4.150 -0.267 9.427 66 2HH2 ARG 8 2HH2 ARG 8 -5.220 -0.413 8.073 67 H LYS 9 H LYS 9 -8.064 0.328 2.932 68 HA LYS 9 HA LYS 9 -7.115 -0.860 0.427 69 2HB LYS 9 2HB LYS 9 -9.800 0.469 0.895 70 2HG LYS 9 2HG LYS 9 -8.729 1.131 -1.292 71 2HD LYS 9 2HD LYS 9 -9.046 -1.455 -2.587 72 2HE LYS 9 2HE LYS 9 -6.521 0.210 -2.165 73 1HZ LYS 9 1HZ LYS 9 -6.807 -2.109 -3.390 74 2HZ LYS 9 2HZ LYS 9 -7.147 -1.109 -4.635 75 3HZ LYS 9 3HZ LYS 9 -5.720 -0.983 -3.852 76 H ILE 10 H ILE 10 -8.131 2.084 2.255 77 HA ILE 10 HA ILE 10 -7.232 3.971 0.466 78 HB ILE 10 HB ILE 10 -7.203 4.080 3.484 79 2HG1 ILE 10 2HG1 ILE 10 -9.380 3.386 2.334 80 1HG2 ILE 10 1HG2 ILE 10 -5.902 5.871 2.303 81 2HG2 ILE 10 2HG2 ILE 10 -7.418 6.369 1.517 82 3HG2 ILE 10 3HG2 ILE 10 -7.264 6.456 3.289 83 1HD1 ILE 10 1HD1 ILE 10 -9.618 6.051 3.764 84 2HD1 ILE 10 2HD1 ILE 10 -10.670 4.621 3.888 85 3HD1 ILE 10 3HD1 ILE 10 -9.052 4.603 4.630 86 H ALA 11 H ALA 11 -5.421 2.541 3.276 87 HA ALA 11 HA ALA 11 -2.970 3.654 2.215 88 1HB ALA 11 1HB ALA 11 -3.452 3.714 4.632 89 2HB ALA 11 2HB ALA 11 -3.553 1.936 4.661 90 3HB ALA 11 3HB ALA 11 -2.005 2.733 4.295 91 H HIS 12 H HIS 12 -1.998 0.877 3.682 92 HA HIS 12 HA HIS 12 -0.939 -0.884 2.871 93 2HB HIS 12 2HB HIS 12 -2.785 -2.112 1.179 94 HD1 HIS 12 1HD HIS 12 -0.959 -1.937 4.262 95 HD2 HIS 12 2HD HIS 12 -4.308 -4.090 2.943 96 HE1 HIS 12 1HE HIS 12 -1.201 -3.923 5.845 97 H GLY 13 H GLY 13 0.796 -0.625 1.558 98 1HA GLY 13 1HA GLY 13 1.749 -0.917 -0.564 99 2HA GLY 13 2HA GLY 13 0.285 -0.318 -1.319 100 H VAL 14 H VAL 14 0.669 1.711 1.280 101 HA VAL 14 HA VAL 14 2.590 3.451 -0.077 102 HB VAL 14 HB VAL 14 0.009 3.827 -0.547 103 1HG1 VAL 14 1HG1 VAL 14 -0.665 3.952 1.801 104 2HG1 VAL 14 2HG1 VAL 14 0.449 5.314 2.066 105 3HG1 VAL 14 3HG1 VAL 14 -0.949 5.507 0.984 106 1HG2 VAL 14 1HG2 VAL 14 0.604 5.873 -1.369 107 2HG2 VAL 14 2HG2 VAL 14 1.447 6.355 0.123 108 3HG2 VAL 14 3HG2 VAL 14 2.233 5.242 -1.024 109 H LYS 15 H LYS 15 0.598 2.664 2.822 110 HA LYS 15 HA LYS 15 2.090 4.379 4.523 111 2HB LYS 15 2HB LYS 15 -0.016 2.269 4.882 112 2HG LYS 15 2HG LYS 15 2.040 3.018 6.847 113 2HD LYS 15 2HD LYS 15 -0.873 3.701 7.373 114 2HE LYS 15 2HE LYS 15 0.333 3.852 9.846 115 1HZ LYS 15 1HZ LYS 15 -1.597 2.797 10.005 116 2HZ LYS 15 2HZ LYS 15 -1.481 2.080 8.543 117 3HZ LYS 15 3HZ LYS 15 -0.751 1.410 9.840 118 H LYS 16 H LYS 16 2.359 1.014 3.397 119 HA LYS 16 HA LYS 16 4.684 0.705 5.163 120 2HB LYS 16 2HB LYS 16 3.764 -1.237 5.728 121 2HG LYS 16 2HG LYS 16 1.683 -2.103 4.540 122 2HD LYS 16 2HD LYS 16 0.554 0.418 4.936 123 2HE LYS 16 2HE LYS 16 0.531 -2.070 6.193 124 1HZ LYS 16 1HZ LYS 16 1.195 -1.810 8.327 125 2HZ LYS 16 2HZ LYS 16 2.341 -0.896 7.603 126 3HZ LYS 16 3HZ LYS 16 1.064 -0.181 8.328 127 H TYR 17 H TYR 17 3.435 0.632 1.823 128 HA TYR 17 HA TYR 17 5.987 -0.225 0.778 129 2HB TYR 17 2HB TYR 17 4.460 0.625 -1.344 130 HD1 TYR 17 1HD TYR 17 4.267 -1.896 1.389 131 HD2 TYR 17 2HD TYR 17 3.792 -1.135 -2.795 132 HE1 TYR 17 1HE TYR 17 4.060 -4.392 0.950 133 HE2 TYR 17 2HE TYR 17 3.587 -3.634 -3.219 134 HH TYR 17 HH TYR 17 3.183 -5.599 -2.219 135 H GLY 18 H GLY 18 3.968 2.778 0.879 136 1HA GLY 18 1HA GLY 18 5.416 4.432 -0.741 137 2HA GLY 18 2HA GLY 18 4.569 4.941 0.705 138 HA PRO 19 HA PRO 19 8.338 5.252 2.905 139 2HB PRO 19 2HB PRO 19 7.445 5.096 5.020 140 2HG PRO 19 2HG PRO 19 5.535 3.812 5.166 141 2HD PRO 19 2HD PRO 19 4.776 3.958 3.000 142 H THR 20 H THR 20 7.723 1.837 2.412 143 HA THR 20 HA THR 20 10.626 1.502 2.050 144 HB THR 20 HB THR 20 9.204 0.176 3.829 145 HG1 THR 20 1HG THR 20 10.966 -1.142 3.532 146 1HG2 THR 20 1HG2 THR 20 8.789 -1.872 1.722 147 2HG2 THR 20 2HG2 THR 20 7.743 -1.442 3.096 148 3HG2 THR 20 3HG2 THR 20 7.670 -0.495 1.589 149 H VAL 21 H VAL 21 9.772 2.807 -0.044 150 HA VAL 21 HA VAL 21 8.409 1.448 -2.016 151 HB VAL 21 HB VAL 21 9.238 3.070 -3.483 152 1HG1 VAL 21 1HG1 VAL 21 8.031 3.831 -1.265 153 2HG1 VAL 21 2HG1 VAL 21 9.594 4.617 -0.936 154 3HG1 VAL 21 3HG1 VAL 21 8.682 5.034 -2.407 155 1HG2 VAL 21 1HG2 VAL 21 11.729 2.634 -2.118 156 2HG2 VAL 21 2HG2 VAL 21 11.426 3.458 -3.666 157 3HG2 VAL 21 3HG2 VAL 21 11.373 4.378 -2.143 158 H LEU 22 H LEU 22 10.415 1.517 -4.197 159 HA LEU 22 HA LEU 22 12.122 0.329 -5.048 160 2HB LEU 22 2HB LEU 22 12.375 -1.426 -2.643 161 HG LEU 22 HG LEU 22 14.465 -0.100 -4.390 162 1HD1 LEU 22 1HD1 LEU 22 14.613 -1.333 -1.797 163 2HD1 LEU 22 2HD1 LEU 22 15.529 -2.299 -2.980 164 3HD1 LEU 22 3HD1 LEU 22 15.898 -0.571 -2.765 165 1HD2 LEU 22 1HD2 LEU 22 14.749 -2.785 -4.788 166 2HD2 LEU 22 2HD2 LEU 22 12.981 -2.623 -4.675 167 3HD2 LEU 22 3HD2 LEU 22 13.884 -1.673 -5.875 168 H ARG 23 H ARG 23 11.786 -1.233 -6.569 169 HA ARG 23 HA ARG 23 10.670 -2.709 -7.701 170 2HB ARG 23 2HB ARG 23 10.087 -4.882 -6.208 171 2HG ARG 23 2HG ARG 23 12.772 -5.173 -6.117 172 2HD ARG 23 2HD ARG 23 12.601 -5.497 -8.732 173 HE ARG 23 HE ARG 23 10.601 -7.237 -7.579 174 1HH1 ARG 23 1HH1 ARG 23 12.891 -9.577 -6.370 175 2HH1 ARG 23 2HH1 ARG 23 11.228 -9.272 -6.748 176 1HH2 ARG 23 1HH2 ARG 23 14.481 -7.919 -6.706 177 2HH2 ARG 23 2HH2 ARG 23 14.004 -6.377 -7.336 178 H ILE 24 H ILE 24 9.114 -0.737 -5.749 179 HA ILE 24 HA ILE 24 6.515 -1.953 -6.301 180 HB ILE 24 HB ILE 24 5.697 -1.221 -4.098 181 2HG1 ILE 24 2HG1 ILE 24 7.780 0.398 -3.879 182 1HG2 ILE 24 1HG2 ILE 24 6.729 -3.560 -4.730 183 2HG2 ILE 24 2HG2 ILE 24 7.964 -3.092 -3.534 184 3HG2 ILE 24 3HG2 ILE 24 6.252 -3.186 -3.056 185 1HD1 ILE 24 1HD1 ILE 24 6.071 -1.001 -1.858 186 2HD1 ILE 24 2HD1 ILE 24 7.491 -0.130 -1.227 187 3HD1 ILE 24 3HD1 ILE 24 6.263 0.739 -2.177 188 H ILE 25 H ILE 25 8.337 0.978 -5.189 189 HA ILE 25 HA ILE 25 6.516 2.537 -6.890 190 HB ILE 25 HB ILE 25 7.773 4.006 -4.710 191 2HG1 ILE 25 2HG1 ILE 25 7.574 2.210 -3.270 192 1HG2 ILE 25 1HG2 ILE 25 5.564 4.230 -6.393 193 2HG2 ILE 25 2HG2 ILE 25 4.870 3.940 -4.779 194 3HG2 ILE 25 3HG2 ILE 25 5.993 5.297 -5.036 195 1HD1 ILE 25 1HD1 ILE 25 4.681 2.996 -3.036 196 2HD1 ILE 25 2HD1 ILE 25 5.917 2.827 -1.766 197 3HD1 ILE 25 3HD1 ILE 25 5.910 4.266 -2.812 198 H ARG 26 H ARG 26 9.776 1.652 -5.925 199 HA ARG 26 HA ARG 26 11.747 2.396 -6.506 200 2HB ARG 26 2HB ARG 26 12.195 1.953 -8.759 201 2HG ARG 26 2HG ARG 26 9.554 1.045 -9.486 202 2HD ARG 26 2HD ARG 26 10.603 -1.210 -9.017 203 HE ARG 26 HE ARG 26 12.740 0.104 -10.479 204 1HH1 ARG 26 1HH1 ARG 26 11.161 -0.179 -13.577 205 2HH1 ARG 26 2HH1 ARG 26 12.654 0.146 -12.762 206 1HH2 ARG 26 1HH2 ARG 26 9.248 -0.655 -12.351 207 2HH2 ARG 26 2HH2 ARG 26 9.314 -0.686 -10.621 208 H ILE 27 H ILE 27 9.774 4.553 -5.715 209 HA ILE 27 HA ILE 27 11.008 6.775 -7.186 210 HB ILE 27 HB ILE 27 8.255 6.548 -5.972 211 2HG1 ILE 27 2HG1 ILE 27 9.212 5.829 -8.506 212 1HG2 ILE 27 1HG2 ILE 27 9.020 8.752 -5.485 213 2HG2 ILE 27 2HG2 ILE 27 9.698 8.947 -7.118 214 3HG2 ILE 27 3HG2 ILE 27 7.935 8.863 -6.891 215 1HD1 ILE 27 1HD1 ILE 27 6.991 5.378 -7.043 216 2HD1 ILE 27 2HD1 ILE 27 6.335 6.612 -8.148 217 3HD1 ILE 27 3HD1 ILE 27 7.031 5.109 -8.802 218 H ALA 28 H ALA 28 9.503 5.857 -4.008 219 HA ALA 28 HA ALA 28 10.170 6.243 -1.929 220 1HB ALA 28 1HB ALA 28 12.422 6.278 -1.462 221 2HB ALA 28 2HB ALA 28 12.507 5.784 -3.170 222 3HB ALA 28 3HB ALA 28 12.777 7.485 -2.722 223 H GLY 29 H GLY 29 8.456 8.038 -3.108 224 1HA GLY 29 1HA GLY 29 9.474 10.733 -2.767 225 2HA GLY 29 2HA GLY 29 7.868 10.246 -3.276 Start of MODEL 39 1 H ARG 1 H ARG 1 -8.380 -2.654 9.112 2 HA ARG 1 HA ARG 1 -9.289 -4.767 10.196 3 2HB ARG 1 2HB ARG 1 -7.954 -3.343 12.553 4 2HG ARG 1 2HG ARG 1 -8.897 -6.085 12.970 5 2HD ARG 1 2HD ARG 1 -9.208 -3.370 14.285 6 HE ARG 1 HE ARG 1 -11.119 -5.536 14.542 7 1HH1 ARG 1 1HH1 ARG 1 -12.474 -4.354 17.535 8 2HH1 ARG 1 2HH1 ARG 1 -12.694 -5.433 16.197 9 1HH2 ARG 1 1HH2 ARG 1 -10.583 -3.012 17.645 10 2HH2 ARG 1 2HH2 ARG 1 -9.390 -3.091 16.391 11 H GLY 2 H GLY 2 -11.056 -3.495 9.262 12 1HA GLY 2 1HA GLY 2 -12.739 -2.271 11.132 13 2HA GLY 2 2HA GLY 2 -11.890 -1.006 10.269 14 H LEU 3 H LEU 3 -13.794 -0.264 9.183 15 HA LEU 3 HA LEU 3 -15.545 -1.928 7.810 16 2HB LEU 3 2HB LEU 3 -16.126 0.191 6.580 17 HG LEU 3 HG LEU 3 -16.164 -0.049 9.550 18 1HD1 LEU 3 1HD1 LEU 3 -17.122 2.512 8.282 19 2HD1 LEU 3 2HD1 LEU 3 -16.903 2.123 10.006 20 3HD1 LEU 3 3HD1 LEU 3 -15.482 2.351 8.956 21 1HD2 LEU 3 1HD2 LEU 3 -18.349 0.547 7.539 22 2HD2 LEU 3 2HD2 LEU 3 -17.877 -1.082 8.082 23 3HD2 LEU 3 3HD2 LEU 3 -18.550 0.086 9.245 24 H ARG 4 H ARG 4 -15.797 -1.318 5.206 25 HA ARG 4 HA ARG 4 -13.519 -2.652 4.134 26 2HB ARG 4 2HB ARG 4 -15.151 -2.026 1.966 27 2HG ARG 4 2HG ARG 4 -14.773 -4.317 3.805 28 2HD ARG 4 2HD ARG 4 -17.083 -4.744 1.974 29 HE ARG 4 HE ARG 4 -15.994 -5.955 4.331 30 1HH1 ARG 4 1HH1 ARG 4 -18.738 -7.994 5.031 31 2HH1 ARG 4 2HH1 ARG 4 -17.055 -7.712 5.333 32 1HH2 ARG 4 1HH2 ARG 4 -19.912 -6.586 3.605 33 2HH2 ARG 4 2HH2 ARG 4 -19.107 -5.255 2.847 34 H ARG 5 H ARG 5 -12.019 -0.763 4.620 35 HA ARG 5 HA ARG 5 -11.417 0.596 2.340 36 2HB ARG 5 2HB ARG 5 -12.118 2.890 3.970 37 2HG ARG 5 2HG ARG 5 -13.581 2.113 1.441 38 2HD ARG 5 2HD ARG 5 -12.138 4.716 1.866 39 HE ARG 5 HE ARG 5 -14.924 4.636 0.992 40 1HH1 ARG 5 1HH1 ARG 5 -14.101 5.039 -2.376 41 2HH1 ARG 5 2HH1 ARG 5 -15.377 5.076 -1.206 42 1HH2 ARG 5 1HH2 ARG 5 -11.932 4.541 -1.713 43 2HH2 ARG 5 2HH2 ARG 5 -11.589 4.209 -0.047 44 H LEU 6 H LEU 6 -11.462 0.446 5.904 45 HA LEU 6 HA LEU 6 -9.050 1.949 6.216 46 2HB LEU 6 2HB LEU 6 -9.225 1.117 8.568 47 HG LEU 6 HG LEU 6 -11.531 2.552 7.283 48 1HD1 LEU 6 1HD1 LEU 6 -11.500 2.361 10.255 49 2HD1 LEU 6 2HD1 LEU 6 -12.859 2.583 9.127 50 3HD1 LEU 6 3HD1 LEU 6 -12.136 0.970 9.343 51 1HD2 LEU 6 1HD2 LEU 6 -9.824 3.582 9.525 52 2HD2 LEU 6 2HD2 LEU 6 -9.171 3.517 7.869 53 3HD2 LEU 6 3HD2 LEU 6 -10.640 4.464 8.210 54 H GLY 7 H GLY 7 -9.955 -1.556 6.539 55 1HA GLY 7 1HA GLY 7 -7.656 -2.743 7.161 56 2HA GLY 7 2HA GLY 7 -8.734 -3.379 5.934 57 H ARG 8 H ARG 8 -8.260 -3.096 3.688 58 HA ARG 8 HA ARG 8 -5.664 -1.875 3.207 59 2HB ARG 8 2HB ARG 8 -4.832 -3.828 2.376 60 2HG ARG 8 2HG ARG 8 -7.543 -4.958 3.216 61 2HD ARG 8 2HD ARG 8 -5.028 -6.606 3.141 62 HE ARG 8 HE ARG 8 -6.809 -8.017 3.713 63 1HH1 ARG 8 1HH1 ARG 8 -9.851 -8.599 2.108 64 2HH1 ARG 8 2HH1 ARG 8 -8.784 -9.112 3.371 65 1HH2 ARG 8 1HH2 ARG 8 -9.276 -6.796 0.765 66 2HH2 ARG 8 2HH2 ARG 8 -7.779 -5.966 1.025 67 H LYS 9 H LYS 9 -7.014 0.028 2.576 68 HA LYS 9 HA LYS 9 -7.832 -0.219 -0.200 69 2HB LYS 9 2HB LYS 9 -9.717 1.264 1.578 70 2HG LYS 9 2HG LYS 9 -9.561 0.453 -1.157 71 2HD LYS 9 2HD LYS 9 -11.797 -0.937 0.393 72 2HE LYS 9 2HE LYS 9 -11.337 -0.448 -2.577 73 1HZ LYS 9 1HZ LYS 9 -12.228 -2.785 -1.373 74 2HZ LYS 9 2HZ LYS 9 -13.515 -2.078 -2.091 75 3HZ LYS 9 3HZ LYS 9 -12.179 -2.426 -2.965 76 H ILE 10 H ILE 10 -8.110 2.235 2.466 77 HA ILE 10 HA ILE 10 -7.259 4.328 0.819 78 HB ILE 10 HB ILE 10 -7.179 4.149 3.832 79 2HG1 ILE 10 2HG1 ILE 10 -9.381 3.497 2.693 80 1HG2 ILE 10 1HG2 ILE 10 -7.841 6.698 2.517 81 2HG2 ILE 10 2HG2 ILE 10 -6.776 6.352 3.901 82 3HG2 ILE 10 3HG2 ILE 10 -6.178 6.130 2.239 83 1HD1 ILE 10 1HD1 ILE 10 -8.794 5.163 4.965 84 2HD1 ILE 10 2HD1 ILE 10 -10.267 5.790 4.185 85 3HD1 ILE 10 3HD1 ILE 10 -10.195 4.091 4.716 86 H ALA 11 H ALA 11 -5.478 2.876 3.638 87 HA ALA 11 HA ALA 11 -3.004 3.796 2.436 88 1HB ALA 11 1HB ALA 11 -2.036 3.176 4.598 89 2HB ALA 11 2HB ALA 11 -3.498 4.158 4.848 90 3HB ALA 11 3HB ALA 11 -3.560 2.395 5.081 91 H HIS 12 H HIS 12 -2.047 1.227 4.208 92 HA HIS 12 HA HIS 12 -1.054 -0.652 3.599 93 2HB HIS 12 2HB HIS 12 -3.002 -2.069 2.200 94 HD1 HIS 12 1HD HIS 12 -1.006 -1.509 5.115 95 HD2 HIS 12 2HD HIS 12 -4.492 -3.705 4.324 96 HE1 HIS 12 1HE HIS 12 -1.208 -3.229 6.990 97 H GLY 13 H GLY 13 0.615 -0.597 2.178 98 1HA GLY 13 1HA GLY 13 1.446 -1.217 0.073 99 2HA GLY 13 2HA GLY 13 -0.046 -0.696 -0.684 100 H VAL 14 H VAL 14 0.502 1.672 1.578 101 HA VAL 14 HA VAL 14 2.382 3.156 -0.100 102 HB VAL 14 HB VAL 14 -0.215 3.519 -0.496 103 1HG1 VAL 14 1HG1 VAL 14 0.369 5.438 1.786 104 2HG1 VAL 14 2HG1 VAL 14 -1.122 5.353 0.818 105 3HG1 VAL 14 3HG1 VAL 14 -0.682 4.004 1.893 106 1HG2 VAL 14 1HG2 VAL 14 0.282 5.746 -1.314 107 2HG2 VAL 14 2HG2 VAL 14 1.720 5.848 -0.270 108 3HG2 VAL 14 3HG2 VAL 14 1.679 4.683 -1.617 109 H LYS 15 H LYS 15 0.524 2.825 2.970 110 HA LYS 15 HA LYS 15 2.117 4.733 4.342 111 2HB LYS 15 2HB LYS 15 0.961 3.267 6.311 112 2HG LYS 15 2HG LYS 15 -0.967 4.988 4.844 113 2HD LYS 15 2HD LYS 15 -0.399 6.297 7.138 114 2HE LYS 15 2HE LYS 15 -2.052 4.668 8.287 115 1HZ LYS 15 1HZ LYS 15 -3.028 6.443 7.241 116 2HZ LYS 15 2HZ LYS 15 -2.545 6.010 5.744 117 3HZ LYS 15 3HZ LYS 15 -3.751 5.191 6.482 118 H LYS 16 H LYS 16 2.292 1.241 3.687 119 HA LYS 16 HA LYS 16 4.699 1.142 5.367 120 2HB LYS 16 2HB LYS 16 3.783 -0.678 6.255 121 2HG LYS 16 2HG LYS 16 1.631 -1.657 5.339 122 2HD LYS 16 2HD LYS 16 0.710 1.049 5.291 123 2HE LYS 16 2HE LYS 16 0.750 -1.278 7.156 124 1HZ LYS 16 1HZ LYS 16 1.494 0.539 8.561 125 2HZ LYS 16 2HZ LYS 16 0.208 1.445 8.121 126 3HZ LYS 16 3HZ LYS 16 -0.015 0.063 8.963 127 H TYR 17 H TYR 17 3.276 0.614 2.139 128 HA TYR 17 HA TYR 17 5.758 -0.435 1.103 129 2HB TYR 17 2HB TYR 17 4.132 0.124 -1.041 130 HD1 TYR 17 1HD TYR 17 3.756 -1.855 -2.209 131 HD2 TYR 17 2HD TYR 17 3.659 -1.925 2.069 132 HE1 TYR 17 1HE TYR 17 3.494 -4.384 -2.250 133 HE2 TYR 17 2HE TYR 17 3.395 -4.454 2.013 134 HH TYR 17 HH TYR 17 4.057 -6.295 0.333 135 H GLY 18 H GLY 18 3.789 2.591 0.881 136 1HA GLY 18 1HA GLY 18 5.164 3.964 -1.039 137 2HA GLY 18 2HA GLY 18 4.405 4.694 0.362 138 HA PRO 19 HA PRO 19 8.297 5.216 2.300 139 2HB PRO 19 2HB PRO 19 7.529 5.328 4.468 140 2HG PRO 19 2HG PRO 19 5.628 4.092 4.882 141 2HD PRO 19 2HD PRO 19 4.744 3.981 2.765 142 H THR 20 H THR 20 7.636 1.779 2.240 143 HA THR 20 HA THR 20 10.496 1.254 2.064 144 HB THR 20 HB THR 20 8.701 -0.052 3.471 145 HG1 THR 20 1HG THR 20 10.427 -1.325 1.463 146 1HG2 THR 20 1HG2 THR 20 8.402 -1.949 1.250 147 2HG2 THR 20 2HG2 THR 20 7.159 -1.331 2.365 148 3HG2 THR 20 3HG2 THR 20 7.568 -0.418 0.892 149 H VAL 21 H VAL 21 10.215 2.757 -0.013 150 HA VAL 21 HA VAL 21 9.058 1.755 -2.300 151 HB VAL 21 HB VAL 21 10.330 3.332 -3.444 152 1HG1 VAL 21 1HG1 VAL 21 9.183 4.006 -0.968 153 2HG1 VAL 21 2HG1 VAL 21 10.723 4.898 -1.034 154 3HG1 VAL 21 3HG1 VAL 21 9.524 5.096 -2.335 155 1HG2 VAL 21 1HG2 VAL 21 12.427 4.195 -1.778 156 2HG2 VAL 21 2HG2 VAL 21 12.482 2.417 -1.734 157 3HG2 VAL 21 3HG2 VAL 21 12.557 3.270 -3.295 158 H LEU 22 H LEU 22 11.344 1.610 -4.136 159 HA LEU 22 HA LEU 22 13.028 0.240 -4.759 160 2HB LEU 22 2HB LEU 22 12.504 -1.679 -2.517 161 HG LEU 22 HG LEU 22 14.851 -0.959 -4.228 162 1HD1 LEU 22 1HD1 LEU 22 15.092 -0.820 -1.461 163 2HD1 LEU 22 2HD1 LEU 22 15.668 -2.453 -1.870 164 3HD1 LEU 22 3HD1 LEU 22 16.407 -1.028 -2.641 165 1HD2 LEU 22 1HD2 LEU 22 15.221 -3.437 -4.038 166 2HD2 LEU 22 2HD2 LEU 22 13.688 -3.529 -3.136 167 3HD2 LEU 22 3HD2 LEU 22 13.696 -2.955 -4.821 168 H ARG 23 H ARG 23 12.704 -1.035 -6.517 169 HA ARG 23 HA ARG 23 11.596 -2.182 -7.988 170 2HB ARG 23 2HB ARG 23 10.509 -4.402 -6.900 171 2HG ARG 23 2HG ARG 23 13.061 -5.132 -6.501 172 2HD ARG 23 2HD ARG 23 13.153 -4.694 -9.251 173 HE ARG 23 HE ARG 23 12.655 -6.889 -7.563 174 1HH1 ARG 23 1HH1 ARG 23 11.758 -9.251 -9.971 175 2HH1 ARG 23 2HH1 ARG 23 12.317 -9.009 -8.350 176 1HH2 ARG 23 1HH2 ARG 23 11.352 -7.425 -11.344 177 2HH2 ARG 23 2HH2 ARG 23 11.607 -5.818 -10.747 178 H ILE 24 H ILE 24 10.022 -0.223 -6.059 179 HA ILE 24 HA ILE 24 7.403 -0.995 -7.095 180 HB ILE 24 HB ILE 24 6.359 -0.361 -4.963 181 2HG1 ILE 24 2HG1 ILE 24 8.563 0.944 -4.288 182 1HG2 ILE 24 1HG2 ILE 24 8.353 -2.619 -4.648 183 2HG2 ILE 24 2HG2 ILE 24 6.793 -2.429 -3.813 184 3HG2 ILE 24 3HG2 ILE 24 6.834 -2.723 -5.568 185 1HD1 ILE 24 1HD1 ILE 24 6.267 -0.127 -2.861 186 2HD1 ILE 24 2HD1 ILE 24 7.690 -0.090 -1.790 187 3HD1 ILE 24 3HD1 ILE 24 7.140 1.401 -2.589 188 H ILE 25 H ILE 25 9.415 1.532 -5.451 189 HA ILE 25 HA ILE 25 8.045 3.487 -7.169 190 HB ILE 25 HB ILE 25 9.278 4.487 -4.701 191 2HG1 ILE 25 2HG1 ILE 25 8.504 2.701 -3.490 192 1HG2 ILE 25 1HG2 ILE 25 6.579 4.871 -6.029 193 2HG2 ILE 25 2HG2 ILE 25 7.179 5.777 -4.619 194 3HG2 ILE 25 3HG2 ILE 25 8.008 5.923 -6.187 195 1HD1 ILE 25 1HD1 ILE 25 6.291 3.253 -2.512 196 2HD1 ILE 25 2HD1 ILE 25 7.285 4.718 -2.698 197 3HD1 ILE 25 3HD1 ILE 25 5.976 4.376 -3.856 198 H ARG 26 H ARG 26 11.053 2.140 -5.866 199 HA ARG 26 HA ARG 26 13.152 2.638 -6.195 200 2HB ARG 26 2HB ARG 26 13.791 2.165 -8.381 201 2HG ARG 26 2HG ARG 26 11.082 1.834 -9.431 202 2HD ARG 26 2HD ARG 26 12.956 -0.286 -8.294 203 HE ARG 26 HE ARG 26 10.511 -0.521 -9.613 204 1HH1 ARG 26 1HH1 ARG 26 11.100 -3.363 -11.551 205 2HH1 ARG 26 2HH1 ARG 26 9.891 -2.342 -10.846 206 1HH2 ARG 26 1HH2 ARG 26 13.348 -2.882 -11.241 207 2HH2 ARG 26 2HH2 ARG 26 13.818 -1.500 -10.307 208 H ILE 27 H ILE 27 11.234 5.018 -5.692 209 HA ILE 27 HA ILE 27 13.054 7.092 -6.698 210 HB ILE 27 HB ILE 27 10.058 7.197 -6.359 211 2HG1 ILE 27 2HG1 ILE 27 11.625 6.368 -8.525 212 1HG2 ILE 27 1HG2 ILE 27 10.123 9.508 -6.952 213 2HG2 ILE 27 2HG2 ILE 27 11.231 9.272 -5.579 214 3HG2 ILE 27 3HG2 ILE 27 11.880 9.451 -7.227 215 1HD1 ILE 27 1HD1 ILE 27 8.936 7.486 -9.129 216 2HD1 ILE 27 2HD1 ILE 27 9.566 5.839 -9.377 217 3HD1 ILE 27 3HD1 ILE 27 8.979 6.336 -7.771 218 H ALA 28 H ALA 28 10.603 6.293 -4.138 219 HA ALA 28 HA ALA 28 10.592 6.681 -1.960 220 1HB ALA 28 1HB ALA 28 12.486 6.022 -0.920 221 2HB ALA 28 2HB ALA 28 13.193 5.882 -2.547 222 3HB ALA 28 3HB ALA 28 13.425 7.372 -1.600 223 H GLY 29 H GLY 29 10.038 8.820 -3.824 224 1HA GLY 29 1HA GLY 29 11.304 11.202 -2.739 225 2HA GLY 29 2HA GLY 29 10.137 11.104 -4.044 Start of MODEL 40 1 H ARG 1 H ARG 1 -8.602 -13.082 0.192 2 HA ARG 1 HA ARG 1 -10.220 -13.245 -2.129 3 2HB ARG 1 2HB ARG 1 -12.238 -12.198 -1.164 4 2HG ARG 1 2HG ARG 1 -11.210 -14.747 0.099 5 2HD ARG 1 2HD ARG 1 -12.874 -13.207 1.607 6 HE ARG 1 HE ARG 1 -14.542 -13.858 -0.566 7 1HH1 ARG 1 1HH1 ARG 1 -17.582 -14.103 1.129 8 2HH1 ARG 1 2HH1 ARG 1 -16.822 -13.887 -0.412 9 1HH2 ARG 1 1HH2 ARG 1 -16.286 -14.365 3.037 10 2HH2 ARG 1 2HH2 ARG 1 -14.557 -14.344 2.919 11 H GLY 2 H GLY 2 -11.146 -10.802 -2.539 12 1HA GLY 2 1HA GLY 2 -9.399 -8.773 -1.392 13 2HA GLY 2 2HA GLY 2 -9.181 -9.107 -3.098 14 H LEU 3 H LEU 3 -11.703 -8.274 -0.639 15 HA LEU 3 HA LEU 3 -12.842 -6.415 -2.532 16 2HB LEU 3 2HB LEU 3 -15.162 -7.478 -1.875 17 HG LEU 3 HG LEU 3 -13.535 -7.693 -4.195 18 1HD1 LEU 3 1HD1 LEU 3 -13.279 -10.096 -3.467 19 2HD1 LEU 3 2HD1 LEU 3 -15.033 -10.276 -3.714 20 3HD1 LEU 3 3HD1 LEU 3 -13.980 -9.849 -5.084 21 1HD2 LEU 3 1HD2 LEU 3 -15.600 -6.615 -4.362 22 2HD2 LEU 3 2HD2 LEU 3 -15.837 -8.141 -5.250 23 3HD2 LEU 3 3HD2 LEU 3 -16.475 -7.965 -3.597 24 H ARG 4 H ARG 4 -12.739 -4.592 -1.332 25 HA ARG 4 HA ARG 4 -14.320 -4.315 0.900 26 2HB ARG 4 2HB ARG 4 -12.523 -5.700 2.001 27 2HG ARG 4 2HG ARG 4 -10.520 -3.652 2.271 28 2HD ARG 4 2HD ARG 4 -10.645 -6.427 2.053 29 HE ARG 4 HE ARG 4 -10.332 -6.753 -0.261 30 1HH1 ARG 4 1HH1 ARG 4 -7.769 -5.608 -2.331 31 2HH1 ARG 4 2HH1 ARG 4 -9.115 -6.686 -2.194 32 1HH2 ARG 4 1HH2 ARG 4 -7.196 -4.229 -0.552 33 2HH2 ARG 4 2HH2 ARG 4 -8.121 -4.281 0.914 34 H ARG 5 H ARG 5 -12.884 -2.222 2.278 35 HA ARG 5 HA ARG 5 -11.578 -0.518 0.535 36 2HB ARG 5 2HB ARG 5 -13.600 -0.087 -0.662 37 2HG ARG 5 2HG ARG 5 -15.360 0.683 1.565 38 2HD ARG 5 2HD ARG 5 -16.972 -0.683 0.334 39 HE ARG 5 HE ARG 5 -15.502 1.361 -0.964 40 1HH1 ARG 5 1HH1 ARG 5 -17.279 1.415 -3.968 41 2HH1 ARG 5 2HH1 ARG 5 -16.198 2.288 -2.933 42 1HH2 ARG 5 1HH2 ARG 5 -18.022 -0.696 -3.353 43 2HH2 ARG 5 2HH2 ARG 5 -17.494 -1.399 -1.859 44 H LEU 6 H LEU 6 -13.741 -0.985 3.356 45 HA LEU 6 HA LEU 6 -12.819 1.364 4.700 46 2HB LEU 6 2HB LEU 6 -14.086 0.370 6.611 47 HG LEU 6 HG LEU 6 -15.423 0.787 3.953 48 1HD1 LEU 6 1HD1 LEU 6 -16.527 -0.747 6.160 49 2HD1 LEU 6 2HD1 LEU 6 -17.494 0.709 5.814 50 3HD1 LEU 6 3HD1 LEU 6 -17.167 -0.470 4.520 51 1HD2 LEU 6 1HD2 LEU 6 -16.402 2.719 5.092 52 2HD2 LEU 6 2HD2 LEU 6 -15.583 2.253 6.602 53 3HD2 LEU 6 3HD2 LEU 6 -14.624 2.741 5.185 54 H GLY 7 H GLY 7 -12.309 -2.211 5.091 55 1HA GLY 7 1HA GLY 7 -10.606 -2.251 7.207 56 2HA GLY 7 2HA GLY 7 -10.505 -3.337 5.837 57 H ARG 8 H ARG 8 -8.825 -3.139 4.341 58 HA ARG 8 HA ARG 8 -7.092 -0.843 4.786 59 2HB ARG 8 2HB ARG 8 -5.138 -2.258 4.498 60 2HG ARG 8 2HG ARG 8 -6.711 -2.497 6.679 61 2HD ARG 8 2HD ARG 8 -6.384 -5.385 6.415 62 HE ARG 8 HE ARG 8 -8.340 -3.509 7.460 63 1HH1 ARG 8 1HH1 ARG 8 -10.430 -5.991 8.743 64 2HH1 ARG 8 2HH1 ARG 8 -10.046 -4.302 8.757 65 1HH2 ARG 8 1HH2 ARG 8 -9.215 -7.448 7.407 66 2HH2 ARG 8 2HH2 ARG 8 -7.923 -6.846 6.422 67 H LYS 9 H LYS 9 -7.941 0.330 2.976 68 HA LYS 9 HA LYS 9 -7.222 -0.854 0.396 69 2HB LYS 9 2HB LYS 9 -9.892 0.252 1.229 70 2HG LYS 9 2HG LYS 9 -9.894 -0.101 -1.581 71 2HD LYS 9 2HD LYS 9 -9.651 2.693 -0.601 72 2HE LYS 9 2HE LYS 9 -12.290 2.068 -1.435 73 1HZ LYS 9 1HZ LYS 9 -11.766 3.535 -3.052 74 2HZ LYS 9 2HZ LYS 9 -10.530 3.866 -2.039 75 3HZ LYS 9 3HZ LYS 9 -10.284 2.915 -3.344 76 H ILE 10 H ILE 10 -8.208 2.123 2.214 77 HA ILE 10 HA ILE 10 -7.307 3.970 0.385 78 HB ILE 10 HB ILE 10 -7.282 4.146 3.401 79 2HG1 ILE 10 2HG1 ILE 10 -9.457 3.425 2.261 80 1HG2 ILE 10 1HG2 ILE 10 -7.623 6.598 2.934 81 2HG2 ILE 10 2HG2 ILE 10 -6.009 5.958 2.542 82 3HG2 ILE 10 3HG2 ILE 10 -7.187 6.262 1.241 83 1HD1 ILE 10 1HD1 ILE 10 -9.041 4.839 4.509 84 2HD1 ILE 10 2HD1 ILE 10 -9.859 6.107 3.563 85 3HD1 ILE 10 3HD1 ILE 10 -10.681 4.558 3.876 86 H ALA 11 H ALA 11 -5.494 2.608 3.229 87 HA ALA 11 HA ALA 11 -3.047 3.702 2.149 88 1HB ALA 11 1HB ALA 11 -3.546 3.797 4.569 89 2HB ALA 11 2HB ALA 11 -3.613 2.019 4.623 90 3HB ALA 11 3HB ALA 11 -2.079 2.841 4.247 91 H HIS 12 H HIS 12 -2.089 0.945 3.675 92 HA HIS 12 HA HIS 12 -1.030 -0.834 2.906 93 2HB HIS 12 2HB HIS 12 -2.854 -2.074 1.201 94 HD1 HIS 12 1HD HIS 12 -1.073 -1.872 4.306 95 HD2 HIS 12 2HD HIS 12 -4.421 -4.018 2.967 96 HE1 HIS 12 1HE HIS 12 -1.353 -3.837 5.912 97 H GLY 13 H GLY 13 0.727 -0.616 1.614 98 1HA GLY 13 1HA GLY 13 1.710 -0.938 -0.487 99 2HA GLY 13 2HA GLY 13 0.262 -0.338 -1.271 100 H VAL 14 H VAL 14 0.633 1.718 1.316 101 HA VAL 14 HA VAL 14 2.572 3.432 -0.049 102 HB VAL 14 HB VAL 14 0.002 3.829 -0.527 103 1HG1 VAL 14 1HG1 VAL 14 -0.598 3.937 1.885 104 2HG1 VAL 14 2HG1 VAL 14 0.405 5.396 2.042 105 3HG1 VAL 14 3HG1 VAL 14 -1.032 5.414 0.991 106 1HG2 VAL 14 1HG2 VAL 14 1.044 5.482 -1.607 107 2HG2 VAL 14 2HG2 VAL 14 0.879 6.464 -0.131 108 3HG2 VAL 14 3HG2 VAL 14 2.362 5.517 -0.411 109 H LYS 15 H LYS 15 0.577 2.680 2.859 110 HA LYS 15 HA LYS 15 2.083 4.391 4.549 111 2HB LYS 15 2HB LYS 15 -0.050 2.316 4.901 112 2HG LYS 15 2HG LYS 15 1.739 2.014 6.728 113 2HD LYS 15 2HD LYS 15 1.984 4.692 6.751 114 2HE LYS 15 2HE LYS 15 0.331 4.469 9.224 115 1HZ LYS 15 1HZ LYS 15 1.168 6.536 8.825 116 2HZ LYS 15 2HZ LYS 15 0.990 6.456 7.205 117 3HZ LYS 15 3HZ LYS 15 -0.314 6.697 8.156 118 H LYS 16 H LYS 16 2.321 1.007 3.460 119 HA LYS 16 HA LYS 16 4.650 0.701 5.219 120 2HB LYS 16 2HB LYS 16 3.748 -1.250 5.777 121 2HG LYS 16 2HG LYS 16 1.629 -2.082 4.622 122 2HD LYS 16 2HD LYS 16 0.920 0.728 5.122 123 2HE LYS 16 2HE LYS 16 0.260 -0.995 7.309 124 1HZ LYS 16 1HZ LYS 16 -1.434 0.306 6.714 125 2HZ LYS 16 2HZ LYS 16 -1.052 0.326 5.126 126 3HZ LYS 16 3HZ LYS 16 -1.872 -0.940 5.752 127 H TYR 17 H TYR 17 3.406 0.621 1.875 128 HA TYR 17 HA TYR 17 5.959 -0.243 0.837 129 2HB TYR 17 2HB TYR 17 4.433 0.599 -1.290 130 HD1 TYR 17 1HD TYR 17 4.262 -1.914 1.447 131 HD2 TYR 17 2HD TYR 17 3.749 -1.164 -2.733 132 HE1 TYR 17 1HE TYR 17 4.056 -4.412 1.016 133 HE2 TYR 17 2HE TYR 17 3.546 -3.663 -3.150 134 HH TYR 17 HH TYR 17 4.035 -5.975 -0.523 135 H GLY 18 H GLY 18 3.943 2.761 0.924 136 1HA GLY 18 1HA GLY 18 5.363 4.416 -0.703 137 2HA GLY 18 2HA GLY 18 4.560 4.924 0.769 138 HA PRO 19 HA PRO 19 8.389 5.202 2.865 139 2HB PRO 19 2HB PRO 19 7.552 5.043 5.004 140 2HG PRO 19 2HG PRO 19 5.640 3.769 5.197 141 2HD PRO 19 2HD PRO 19 4.824 3.930 3.054 142 H THR 20 H THR 20 7.738 1.798 2.360 143 HA THR 20 HA THR 20 10.625 1.382 2.060 144 HB THR 20 HB THR 20 8.283 -0.192 2.985 145 HG1 THR 20 1HG THR 20 10.208 -1.193 4.045 146 1HG2 THR 20 1HG2 THR 20 10.277 -1.309 0.976 147 2HG2 THR 20 2HG2 THR 20 9.661 -2.335 2.295 148 3HG2 THR 20 3HG2 THR 20 8.534 -1.637 1.105 149 H VAL 21 H VAL 21 10.423 2.777 0.042 150 HA VAL 21 HA VAL 21 9.105 2.458 -2.162 151 HB VAL 21 HB VAL 21 10.800 3.647 -2.911 152 1HG1 VAL 21 1HG1 VAL 21 13.001 3.700 -1.583 153 2HG1 VAL 21 2HG1 VAL 21 11.512 4.174 -0.729 154 3HG1 VAL 21 3HG1 VAL 21 12.212 2.558 -0.470 155 1HG2 VAL 21 1HG2 VAL 21 12.760 1.360 -2.750 156 2HG2 VAL 21 2HG2 VAL 21 11.426 1.338 -3.927 157 3HG2 VAL 21 3HG2 VAL 21 12.629 2.652 -3.968 158 H LEU 22 H LEU 22 8.018 0.624 -2.766 159 HA LEU 22 HA LEU 22 9.681 -1.567 -3.694 160 2HB LEU 22 2HB LEU 22 7.420 -1.945 -1.726 161 HG LEU 22 HG LEU 22 8.002 -4.288 -1.665 162 1HD1 LEU 22 1HD1 LEU 22 7.637 -3.771 -4.599 163 2HD1 LEU 22 2HD1 LEU 22 6.852 -4.972 -3.543 164 3HD1 LEU 22 3HD1 LEU 22 6.388 -3.257 -3.439 165 1HD2 LEU 22 1HD2 LEU 22 10.446 -3.699 -2.475 166 2HD2 LEU 22 2HD2 LEU 22 9.734 -5.306 -2.758 167 3HD2 LEU 22 3HD2 LEU 22 9.768 -4.103 -4.070 168 H ARG 23 H ARG 23 9.100 -1.977 -5.753 169 HA ARG 23 HA ARG 23 7.979 -1.863 -7.609 170 2HB ARG 23 2HB ARG 23 5.429 -2.692 -7.262 171 2HG ARG 23 2HG ARG 23 6.574 -5.058 -6.687 172 2HD ARG 23 2HD ARG 23 7.585 -3.976 -9.279 173 HE ARG 23 HE ARG 23 7.187 -6.248 -9.599 174 1HH1 ARG 23 1HH1 ARG 23 4.498 -8.285 -8.703 175 2HH1 ARG 23 2HH1 ARG 23 6.008 -8.206 -9.549 176 1HH2 ARG 23 1HH2 ARG 23 3.674 -6.406 -7.618 177 2HH2 ARG 23 2HH2 ARG 23 4.569 -4.923 -7.656 178 H ILE 24 H ILE 24 7.785 0.537 -5.621 179 HA ILE 24 HA ILE 24 5.538 1.836 -6.993 180 HB ILE 24 HB ILE 24 5.350 3.215 -4.865 181 2HG1 ILE 24 2HG1 ILE 24 7.602 1.918 -4.072 182 1HG2 ILE 24 1HG2 ILE 24 4.285 0.608 -5.561 183 2HG2 ILE 24 2HG2 ILE 24 4.299 0.861 -3.799 184 3HG2 ILE 24 3HG2 ILE 24 3.472 2.027 -4.858 185 1HD1 ILE 24 1HD1 ILE 24 7.358 3.230 -2.214 186 2HD1 ILE 24 2HD1 ILE 24 5.914 3.847 -3.054 187 3HD1 ILE 24 3HD1 ILE 24 5.752 2.557 -1.837 188 H ILE 25 H ILE 25 8.643 2.321 -5.179 189 HA ILE 25 HA ILE 25 9.156 4.562 -7.010 190 HB ILE 25 HB ILE 25 10.708 4.574 -4.556 191 2HG1 ILE 25 2HG1 ILE 25 8.917 3.621 -3.386 192 1HG2 ILE 25 1HG2 ILE 25 10.515 6.430 -6.183 193 2HG2 ILE 25 2HG2 ILE 25 8.798 6.603 -5.748 194 3HG2 ILE 25 3HG2 ILE 25 10.060 6.900 -4.527 195 1HD1 ILE 25 1HD1 ILE 25 9.649 5.866 -2.482 196 2HD1 ILE 25 2HD1 ILE 25 8.301 6.609 -3.374 197 3HD1 ILE 25 3HD1 ILE 25 7.970 5.445 -2.071 198 H ARG 26 H ARG 26 10.399 1.647 -5.341 199 HA ARG 26 HA ARG 26 12.266 0.538 -5.553 200 2HB ARG 26 2HB ARG 26 12.182 -0.617 -7.534 201 2HG ARG 26 2HG ARG 26 10.289 1.325 -8.804 202 2HD ARG 26 2HD ARG 26 9.907 -1.592 -8.000 203 HE ARG 26 HE ARG 26 8.105 0.163 -9.126 204 1HH1 ARG 26 1HH1 ARG 26 6.596 -1.794 -11.590 205 2HH1 ARG 26 2HH1 ARG 26 6.434 -0.394 -10.583 206 1HH2 ARG 26 1HH2 ARG 26 8.507 -3.104 -11.459 207 2HH2 ARG 26 2HH2 ARG 26 9.772 -2.681 -10.354 208 H ILE 27 H ILE 27 12.455 3.664 -5.606 209 HA ILE 27 HA ILE 27 15.207 3.752 -6.629 210 HB ILE 27 HB ILE 27 13.150 5.964 -6.659 211 2HG1 ILE 27 2HG1 ILE 27 13.447 3.823 -8.436 212 1HG2 ILE 27 1HG2 ILE 27 15.483 6.716 -6.237 213 2HG2 ILE 27 2HG2 ILE 27 15.964 5.961 -7.775 214 3HG2 ILE 27 3HG2 ILE 27 14.802 7.307 -7.771 215 1HD1 ILE 27 1HD1 ILE 27 11.631 5.797 -7.950 216 2HD1 ILE 27 2HD1 ILE 27 12.335 6.397 -9.470 217 3HD1 ILE 27 3HD1 ILE 27 11.596 4.780 -9.411 218 H ALA 28 H ALA 28 12.827 5.197 -4.304 219 HA ALA 28 HA ALA 28 13.084 5.538 -2.102 220 1HB ALA 28 1HB ALA 28 14.852 4.645 -0.912 221 2HB ALA 28 2HB ALA 28 14.995 3.703 -2.415 222 3HB ALA 28 3HB ALA 28 16.054 5.106 -2.140 223 H GLY 29 H GLY 29 12.683 7.646 -3.530 224 1HA GLY 29 1HA GLY 29 14.940 9.491 -3.420 225 2HA GLY 29 2HA GLY 29 13.372 9.760 -4.153
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