NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_dress | stage | position | program | type |
2767 | 1ckw | 4595 | cing | dress | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 -15.554 -2.865 9.976 2 2H MET 1 2H MET 1 -13.942 -2.531 10.386 3 3H MET 1 3H MET 1 -15.150 -1.374 10.685 4 HA MET 1 HA MET 1 -14.415 -0.477 8.753 5 1HB MET 1 1HB MET 1 -13.262 -2.036 7.083 6 2HB MET 1 2HB MET 1 -12.495 -1.916 8.667 7 1HG MET 1 1HG MET 1 -13.065 -4.058 9.259 8 2HG MET 1 2HG MET 1 -14.581 -4.015 8.358 9 1HE MET 1 1HE MET 1 -14.386 -6.118 7.868 10 2HE MET 1 2HE MET 1 -14.534 -5.984 6.118 11 3HE MET 1 3HE MET 1 -13.252 -6.972 6.813 12 HA PRO 2 HA PRO 2 -18.335 -2.479 7.150 13 1HB PRO 2 1HB PRO 2 -20.074 -0.492 7.858 14 2HB PRO 2 2HB PRO 2 -19.671 -1.847 8.931 15 1HG PRO 2 1HG PRO 2 -18.688 0.954 8.971 16 2HG PRO 2 2HG PRO 2 -19.036 -0.141 10.316 17 1HD PRO 2 1HD PRO 2 -16.511 0.419 9.376 18 2HD PRO 2 2HD PRO 2 -16.948 -1.050 10.275 19 H GLY 3 H GLY 3 -16.414 0.199 6.624 20 1HA GLY 3 1HA GLY 3 -17.376 0.536 3.905 21 2HA GLY 3 2HA GLY 3 -17.763 1.928 4.917 22 H THR 4 H THR 4 -14.873 -0.072 5.270 23 HA THR 4 HA THR 4 -13.211 2.017 3.993 24 HB THR 4 HB THR 4 -13.534 2.612 6.449 25 HG1 THR 4 HG1 THR 4 -11.522 2.834 4.956 26 1HG2 THR 4 1HG2 THR 4 -12.953 -0.130 6.751 27 2HG2 THR 4 2HG2 THR 4 -11.556 0.733 7.397 28 3HG2 THR 4 3HG2 THR 4 -13.168 1.061 8.034 29 H ILE 5 H ILE 5 -13.648 -0.526 3.029 30 HA ILE 5 HA ILE 5 -11.391 -2.215 3.940 31 HB ILE 5 HB ILE 5 -13.489 -2.738 1.812 32 1HG1 ILE 5 1HG1 ILE 5 -13.328 -3.733 4.675 33 2HG1 ILE 5 2HG1 ILE 5 -14.401 -2.445 4.128 34 1HG2 ILE 5 1HG2 ILE 5 -11.426 -4.493 3.173 35 2HG2 ILE 5 2HG2 ILE 5 -12.764 -5.125 2.214 36 3HG2 ILE 5 3HG2 ILE 5 -11.535 -4.114 1.454 37 1HD1 ILE 5 1HD1 ILE 5 -14.956 -4.401 2.301 38 2HD1 ILE 5 2HD1 ILE 5 -14.614 -5.364 3.739 39 3HD1 ILE 5 3HD1 ILE 5 -15.881 -4.138 3.780 40 H LYS 6 H LYS 6 -12.483 -0.432 1.068 41 HA LYS 6 HA LYS 6 -10.024 -1.168 -0.390 42 1HB LYS 6 1HB LYS 6 -12.534 -0.659 -1.271 43 2HB LYS 6 2HB LYS 6 -11.824 0.946 -1.448 44 1HG LYS 6 1HG LYS 6 -9.917 -0.958 -2.394 45 2HG LYS 6 2HG LYS 6 -11.472 -1.333 -3.139 46 1HD LYS 6 1HD LYS 6 -11.253 1.480 -3.199 47 2HD LYS 6 2HD LYS 6 -9.678 0.863 -3.703 48 1HE LYS 6 1HE LYS 6 -12.151 -0.392 -4.864 49 2HE LYS 6 2HE LYS 6 -11.587 1.163 -5.506 50 1HZ LYS 6 1HZ LYS 6 -9.334 0.166 -5.644 51 2HZ LYS 6 2HZ LYS 6 -10.011 -1.340 -5.242 52 3HZ LYS 6 3HZ LYS 6 -10.459 -0.563 -6.685 53 H GLU 7 H GLU 7 -11.521 1.716 1.058 54 HA GLU 7 HA GLU 7 -9.534 3.599 0.291 55 1HB GLU 7 1HB GLU 7 -11.819 3.983 1.466 56 2HB GLU 7 2HB GLU 7 -10.932 3.692 2.963 57 1HG GLU 7 1HG GLU 7 -10.985 6.095 2.474 58 2HG GLU 7 2HG GLU 7 -9.334 5.487 2.345 59 H ASN 8 H ASN 8 -9.360 0.949 2.451 60 HA ASN 8 HA ASN 8 -7.151 2.090 4.035 61 1HB ASN 8 1HB ASN 8 -8.992 0.368 4.805 62 2HB ASN 8 2HB ASN 8 -7.906 -0.816 4.074 63 1HD2 ASN 8 2HD2 ASN 8 -7.680 2.032 6.293 64 2HD2 ASN 8 1HD2 ASN 8 -6.523 1.323 7.314 65 H ILE 9 H ILE 9 -7.635 -0.422 1.555 66 HA ILE 9 HA ILE 9 -4.925 -1.312 1.457 67 HB ILE 9 HB ILE 9 -6.854 -1.183 -0.878 68 1HG1 ILE 9 1HG1 ILE 9 -8.043 -2.210 0.952 69 2HG1 ILE 9 2HG1 ILE 9 -7.477 -3.515 -0.091 70 1HG2 ILE 9 1HG2 ILE 9 -4.208 -2.070 -0.669 71 2HG2 ILE 9 2HG2 ILE 9 -5.174 -3.543 -0.570 72 3HG2 ILE 9 3HG2 ILE 9 -5.344 -2.469 -1.958 73 1HD1 ILE 9 1HD1 ILE 9 -5.371 -3.495 1.469 74 2HD1 ILE 9 2HD1 ILE 9 -6.440 -2.664 2.600 75 3HD1 ILE 9 3HD1 ILE 9 -6.847 -4.282 2.028 76 H ILE 10 H ILE 10 -6.615 1.313 -0.248 77 HA ILE 10 HA ILE 10 -4.643 2.097 -2.069 78 HB ILE 10 HB ILE 10 -6.600 3.695 -0.414 79 1HG1 ILE 10 1HG1 ILE 10 -6.477 3.527 -3.410 80 2HG1 ILE 10 2HG1 ILE 10 -7.109 2.155 -2.498 81 1HG2 ILE 10 1HG2 ILE 10 -4.468 4.689 -2.303 82 2HG2 ILE 10 2HG2 ILE 10 -5.974 5.579 -2.084 83 3HG2 ILE 10 3HG2 ILE 10 -4.902 5.310 -0.711 84 1HD1 ILE 10 1HD1 ILE 10 -8.099 5.008 -2.221 85 2HD1 ILE 10 2HD1 ILE 10 -8.899 3.757 -3.173 86 3HD1 ILE 10 3HD1 ILE 10 -8.770 3.586 -1.422 87 H GLY 11 H GLY 11 -4.705 2.476 1.425 88 1HA GLY 11 1HA GLY 11 -2.314 4.195 1.413 89 2HA GLY 11 2HA GLY 11 -3.170 3.620 2.845 90 H VAL 12 H VAL 12 -3.162 0.818 2.007 91 HA VAL 12 HA VAL 12 -0.587 0.062 3.080 92 HB VAL 12 HB VAL 12 -2.833 -1.517 1.805 93 1HG1 VAL 12 1HG1 VAL 12 -0.094 -2.347 2.683 94 2HG1 VAL 12 2HG1 VAL 12 -1.442 -3.434 3.016 95 3HG1 VAL 12 3HG1 VAL 12 -1.078 -2.963 1.356 96 1HG2 VAL 12 1HG2 VAL 12 -3.171 -0.482 4.072 97 2HG2 VAL 12 2HG2 VAL 12 -3.245 -2.243 4.090 98 3HG2 VAL 12 3HG2 VAL 12 -1.794 -1.416 4.655 99 H SER 13 H SER 13 -1.980 0.139 -0.181 100 HA SER 13 HA SER 13 0.341 -1.128 -1.404 101 1HB SER 13 1HB SER 13 -2.269 -0.210 -2.248 102 2HB SER 13 2HB SER 13 -1.032 0.368 -3.361 103 HG SER 13 HG SER 13 -1.984 -1.852 -3.647 104 H TYR 14 H TYR 14 -0.846 2.215 -1.077 105 HA TYR 14 HA TYR 14 1.031 3.576 -2.636 106 1HB TYR 14 1HB TYR 14 -0.843 4.272 -0.659 107 2HB TYR 14 2HB TYR 14 0.693 4.920 -0.083 108 HD1 TYR 14 HD1 TYR 14 2.167 6.115 -1.943 109 HD2 TYR 14 HD2 TYR 14 -2.083 5.532 -2.180 110 HE1 TYR 14 HE1 TYR 14 2.005 7.964 -3.588 111 HE2 TYR 14 HE2 TYR 14 -2.244 7.381 -3.824 112 HH TYR 14 HH TYR 14 0.007 8.472 -5.591 113 H ASP 15 H ASP 15 1.553 1.798 0.303 114 HA ASP 15 HA ASP 15 4.229 3.012 0.686 115 1HB ASP 15 1HB ASP 15 3.027 2.653 2.733 116 2HB ASP 15 2HB ASP 15 2.624 0.997 2.276 117 H GLU 16 H GLU 16 2.891 -0.307 0.367 118 HA GLU 16 HA GLU 16 5.253 -1.727 0.039 119 1HB GLU 16 1HB GLU 16 2.499 -2.166 -0.521 120 2HB GLU 16 2HB GLU 16 3.403 -2.643 -1.957 121 1HG GLU 16 1HG GLU 16 4.587 -4.297 -0.833 122 2HG GLU 16 2HG GLU 16 4.410 -3.502 0.732 123 H TYR 17 H TYR 17 3.537 0.217 -2.370 124 HA TYR 17 HA TYR 17 5.269 -0.429 -4.577 125 1HB TYR 17 1HB TYR 17 3.657 0.749 -5.635 126 2HB TYR 17 2HB TYR 17 2.995 1.249 -4.084 127 HD1 TYR 17 HD1 TYR 17 5.735 2.073 -6.501 128 HD2 TYR 17 HD2 TYR 17 3.073 3.504 -3.450 129 HE1 TYR 17 HE1 TYR 17 6.491 4.396 -6.933 130 HE2 TYR 17 HE2 TYR 17 3.826 5.830 -3.884 131 HH TYR 17 HH TYR 17 5.132 6.892 -6.430 132 H ARG 18 H ARG 18 5.139 2.470 -2.493 133 HA ARG 18 HA ARG 18 7.642 3.531 -3.438 134 1HB ARG 18 1HB ARG 18 5.598 4.519 -1.915 135 2HB ARG 18 2HB ARG 18 6.828 4.229 -0.684 136 1HG ARG 18 1HG ARG 18 8.461 5.440 -2.240 137 2HG ARG 18 2HG ARG 18 7.044 5.958 -3.154 138 1HD ARG 18 1HD ARG 18 6.269 6.563 -0.605 139 2HD ARG 18 2HD ARG 18 8.006 6.849 -0.506 140 HE ARG 18 HE ARG 18 6.104 8.335 -2.219 141 1HH1 ARG 18 1HH2 ARG 18 8.216 9.364 -0.191 142 2HH1 ARG 18 2HH2 ARG 18 9.370 10.060 -1.278 143 1HH2 ARG 18 1HH1 ARG 18 8.068 8.495 -4.085 144 2HH2 ARG 18 2HH1 ARG 18 9.285 9.571 -3.482 145 H TYR 19 H TYR 19 7.061 0.780 -1.681 146 HA TYR 19 HA TYR 19 9.672 0.933 -0.252 147 1HB TYR 19 1HB TYR 19 6.988 -0.142 0.413 148 2HB TYR 19 2HB TYR 19 8.361 -1.113 0.913 149 HD1 TYR 19 HD1 TYR 19 6.754 2.210 1.196 150 HD2 TYR 19 HD2 TYR 19 9.854 -0.385 2.638 151 HE1 TYR 19 HE1 TYR 19 7.159 3.749 3.103 152 HE2 TYR 19 HE2 TYR 19 10.262 1.149 4.544 153 HH TYR 19 HH TYR 19 8.289 3.233 5.672 154 H ARG 20 H ARG 20 7.949 -0.446 -2.805 155 HA ARG 20 HA ARG 20 8.834 -3.150 -2.796 156 1HB ARG 20 1HB ARG 20 7.049 -2.677 -4.239 157 2HB ARG 20 2HB ARG 20 7.844 -1.257 -4.914 158 1HG ARG 20 1HG ARG 20 9.021 -2.479 -6.435 159 2HG ARG 20 2HG ARG 20 9.287 -3.810 -5.309 160 1HD ARG 20 1HD ARG 20 6.784 -4.332 -5.596 161 2HD ARG 20 2HD ARG 20 6.837 -3.244 -6.983 162 HE ARG 20 HE ARG 20 8.096 -5.900 -6.820 163 1HH1 ARG 20 1HH2 ARG 20 6.465 -4.629 -9.107 164 2HH1 ARG 20 2HH2 ARG 20 7.707 -4.403 -10.293 165 1HH2 ARG 20 1HH1 ARG 20 10.306 -4.842 -8.039 166 2HH2 ARG 20 2HH1 ARG 20 9.882 -4.522 -9.688 167 H SER 21 H SER 21 10.302 -0.281 -4.396 168 HA SER 21 HA SER 21 12.764 -1.946 -4.697 169 1HB SER 21 1HB SER 21 11.364 -1.370 -6.815 170 2HB SER 21 2HB SER 21 12.037 0.244 -6.619 171 HG SER 21 HG SER 21 13.582 -0.692 -7.770 172 H VAL 22 H VAL 22 12.476 -0.404 -2.461 173 HA VAL 22 HA VAL 22 14.448 1.762 -2.959 174 HB VAL 22 HB VAL 22 12.497 3.020 -2.770 175 1HG1 VAL 22 1HG1 VAL 22 11.583 0.662 -1.307 176 2HG1 VAL 22 2HG1 VAL 22 11.004 2.174 -0.617 177 3HG1 VAL 22 3HG1 VAL 22 10.669 1.790 -2.306 178 1HG2 VAL 22 1HG2 VAL 22 14.261 3.240 -0.741 179 2HG2 VAL 22 2HG2 VAL 22 12.816 4.247 -0.854 180 3HG2 VAL 22 3HG2 VAL 22 12.815 2.816 0.177 181 H ILE 23 H ILE 23 12.911 -0.436 -0.626 182 HA ILE 23 HA ILE 23 14.578 0.148 1.601 183 HB ILE 23 HB ILE 23 13.451 -2.576 0.903 184 1HG1 ILE 23 1HG1 ILE 23 11.932 -0.746 2.668 185 2HG1 ILE 23 2HG1 ILE 23 11.962 -0.289 0.965 186 1HG2 ILE 23 1HG2 ILE 23 15.072 -2.196 2.880 187 2HG2 ILE 23 2HG2 ILE 23 13.748 -1.294 3.618 188 3HG2 ILE 23 3HG2 ILE 23 13.542 -3.001 3.228 189 1HD1 ILE 23 1HD1 ILE 23 11.372 -2.766 0.498 190 2HD1 ILE 23 2HD1 ILE 23 10.933 -2.836 2.205 191 3HD1 ILE 23 3HD1 ILE 23 10.096 -1.723 1.125 192 H LYS 24 H LYS 24 14.978 -2.284 -0.986 193 HA LYS 24 HA LYS 24 17.364 -3.473 -0.088 194 1HB LYS 24 1HB LYS 24 16.282 -4.390 -2.024 195 2HB LYS 24 2HB LYS 24 16.404 -2.860 -2.893 196 1HG LYS 24 1HG LYS 24 18.885 -3.051 -2.830 197 2HG LYS 24 2HG LYS 24 18.721 -4.624 -2.048 198 1HD LYS 24 1HD LYS 24 17.429 -3.985 -4.707 199 2HD LYS 24 2HD LYS 24 19.044 -4.682 -4.576 200 1HE LYS 24 1HE LYS 24 17.274 -6.168 -2.864 201 2HE LYS 24 2HE LYS 24 16.563 -6.071 -4.488 202 1HZ LYS 24 1HZ LYS 24 19.447 -6.528 -4.262 203 2HZ LYS 24 2HZ LYS 24 18.414 -7.836 -3.932 204 3HZ LYS 24 3HZ LYS 24 18.360 -7.068 -5.447 205 H ALA 25 H ALA 25 18.733 -1.899 0.879 206 HA ALA 25 HA ALA 25 19.744 0.278 -0.869 207 1HB ALA 25 1HB ALA 25 19.190 0.132 1.868 208 2HB ALA 25 2HB ALA 25 20.952 0.104 1.778 209 3HB ALA 25 3HB ALA 25 20.053 1.433 1.047 Start of MODEL 2 1 1H MET 1 1H MET 1 -16.658 -2.203 4.570 2 2H MET 1 2H MET 1 -17.709 -1.986 5.887 3 3H MET 1 3H MET 1 -18.141 -1.410 4.348 4 HA MET 1 HA MET 1 -17.426 0.540 5.302 5 1HB MET 1 1HB MET 1 -16.406 -1.389 7.112 6 2HB MET 1 2HB MET 1 -15.048 -0.348 6.681 7 1HG MET 1 1HG MET 1 -15.870 1.328 7.939 8 2HG MET 1 2HG MET 1 -17.417 1.252 7.094 9 1HE MET 1 1HE MET 1 -17.122 2.223 9.693 10 2HE MET 1 2HE MET 1 -18.829 1.787 9.669 11 3HE MET 1 3HE MET 1 -17.804 1.291 11.024 12 HA PRO 2 HA PRO 2 -14.458 0.421 1.898 13 1HB PRO 2 1HB PRO 2 -15.113 2.896 0.936 14 2HB PRO 2 2HB PRO 2 -16.050 1.437 0.562 15 1HG PRO 2 1HG PRO 2 -16.623 3.609 2.503 16 2HG PRO 2 2HG PRO 2 -17.733 2.674 1.491 17 1HD PRO 2 1HD PRO 2 -17.331 2.227 4.173 18 2HD PRO 2 2HD PRO 2 -17.926 1.004 3.030 19 H GLY 3 H GLY 3 -14.558 2.072 4.776 20 1HA GLY 3 1HA GLY 3 -12.472 4.055 4.182 21 2HA GLY 3 2HA GLY 3 -13.165 3.723 5.772 22 H THR 4 H THR 4 -12.658 0.753 5.208 23 HA THR 4 HA THR 4 -9.700 0.776 5.637 24 HB THR 4 HB THR 4 -10.962 0.494 7.787 25 HG1 THR 4 HG1 THR 4 -9.096 -0.489 7.987 26 1HG2 THR 4 1HG2 THR 4 -11.913 -2.053 6.445 27 2HG2 THR 4 2HG2 THR 4 -12.181 -1.623 8.134 28 3HG2 THR 4 3HG2 THR 4 -12.924 -0.666 6.853 29 H ILE 5 H ILE 5 -12.542 -0.936 4.451 30 HA ILE 5 HA ILE 5 -11.215 -3.349 3.650 31 HB ILE 5 HB ILE 5 -13.665 -2.010 2.461 32 1HG1 ILE 5 1HG1 ILE 5 -13.676 -2.553 4.956 33 2HG1 ILE 5 2HG1 ILE 5 -14.945 -3.324 4.005 34 1HG2 ILE 5 1HG2 ILE 5 -12.346 -4.672 2.075 35 2HG2 ILE 5 2HG2 ILE 5 -14.107 -4.589 2.029 36 3HG2 ILE 5 3HG2 ILE 5 -13.150 -3.639 0.892 37 1HD1 ILE 5 1HD1 ILE 5 -12.384 -4.816 4.245 38 2HD1 ILE 5 2HD1 ILE 5 -13.364 -4.699 5.707 39 3HD1 ILE 5 3HD1 ILE 5 -14.042 -5.417 4.247 40 H LYS 6 H LYS 6 -11.104 -0.155 2.395 41 HA LYS 6 HA LYS 6 -9.718 -1.201 -0.038 42 1HB LYS 6 1HB LYS 6 -12.035 -0.148 -0.423 43 2HB LYS 6 2HB LYS 6 -11.276 1.386 0.006 44 1HG LYS 6 1HG LYS 6 -10.786 1.486 -2.217 45 2HG LYS 6 2HG LYS 6 -9.463 0.405 -1.779 46 1HD LYS 6 1HD LYS 6 -11.650 -1.300 -2.075 47 2HD LYS 6 2HD LYS 6 -11.831 -0.140 -3.392 48 1HE LYS 6 1HE LYS 6 -9.114 -1.319 -2.867 49 2HE LYS 6 2HE LYS 6 -10.318 -2.269 -3.760 50 1HZ LYS 6 1HZ LYS 6 -10.709 -0.059 -5.005 51 2HZ LYS 6 2HZ LYS 6 -9.164 0.358 -4.435 52 3HZ LYS 6 3HZ LYS 6 -9.361 -1.004 -5.425 53 H GLU 7 H GLU 7 -9.843 1.190 2.530 54 HA GLU 7 HA GLU 7 -7.551 2.689 1.482 55 1HB GLU 7 1HB GLU 7 -9.561 3.093 3.481 56 2HB GLU 7 2HB GLU 7 -7.979 3.236 4.250 57 1HG GLU 7 1HG GLU 7 -7.511 5.172 3.173 58 2HG GLU 7 2HG GLU 7 -8.101 4.550 1.632 59 H ASN 8 H ASN 8 -8.118 0.069 3.747 60 HA ASN 8 HA ASN 8 -5.567 0.190 5.071 61 1HB ASN 8 1HB ASN 8 -7.730 -1.159 5.683 62 2HB ASN 8 2HB ASN 8 -7.049 -2.388 4.618 63 1HD2 ASN 8 2HD2 ASN 8 -5.390 -0.146 6.901 64 2HD2 ASN 8 1HD2 ASN 8 -4.649 -1.379 7.803 65 H ILE 9 H ILE 9 -6.757 -1.774 2.330 66 HA ILE 9 HA ILE 9 -4.336 -3.147 1.801 67 HB ILE 9 HB ILE 9 -6.427 -2.207 -0.187 68 1HG1 ILE 9 1HG1 ILE 9 -7.334 -3.552 1.702 69 2HG1 ILE 9 2HG1 ILE 9 -7.428 -4.419 0.169 70 1HG2 ILE 9 1HG2 ILE 9 -4.292 -4.355 -0.312 71 2HG2 ILE 9 2HG2 ILE 9 -5.606 -4.202 -1.479 72 3HG2 ILE 9 3HG2 ILE 9 -4.407 -2.918 -1.327 73 1HD1 ILE 9 1HD1 ILE 9 -4.887 -5.031 1.212 74 2HD1 ILE 9 2HD1 ILE 9 -5.994 -5.140 2.581 75 3HD1 ILE 9 3HD1 ILE 9 -6.285 -6.104 1.133 76 H ILE 10 H ILE 10 -5.437 0.072 0.779 77 HA ILE 10 HA ILE 10 -3.429 0.668 -1.109 78 HB ILE 10 HB ILE 10 -4.822 2.427 0.928 79 1HG1 ILE 10 1HG1 ILE 10 -5.100 2.174 -2.085 80 2HG1 ILE 10 2HG1 ILE 10 -6.173 1.407 -0.913 81 1HG2 ILE 10 1HG2 ILE 10 -2.612 3.390 0.328 82 2HG2 ILE 10 2HG2 ILE 10 -3.039 3.267 -1.379 83 3HG2 ILE 10 3HG2 ILE 10 -3.943 4.350 -0.320 84 1HD1 ILE 10 1HD1 ILE 10 -6.448 3.816 0.050 85 2HD1 ILE 10 2HD1 ILE 10 -5.827 4.335 -1.518 86 3HD1 ILE 10 3HD1 ILE 10 -7.314 3.392 -1.426 87 H GLY 11 H GLY 11 -3.354 0.980 2.442 88 1HA GLY 11 1HA GLY 11 -0.639 1.971 2.524 89 2HA GLY 11 2HA GLY 11 -1.523 1.288 3.892 90 H VAL 12 H VAL 12 -1.986 -1.086 1.875 91 HA VAL 12 HA VAL 12 0.476 -2.528 2.713 92 HB VAL 12 HB VAL 12 -2.221 -3.472 1.703 93 1HG1 VAL 12 1HG1 VAL 12 0.403 -4.829 1.844 94 2HG1 VAL 12 2HG1 VAL 12 -0.932 -5.715 2.580 95 3HG1 VAL 12 3HG1 VAL 12 -1.023 -5.230 0.887 96 1HG2 VAL 12 1HG2 VAL 12 -1.181 -2.852 4.279 97 2HG2 VAL 12 2HG2 VAL 12 -2.736 -3.588 3.894 98 3HG2 VAL 12 3HG2 VAL 12 -1.328 -4.607 4.190 99 H SER 13 H SER 13 -0.901 -1.023 -0.006 100 HA SER 13 HA SER 13 0.926 -2.560 -1.812 101 1HB SER 13 1HB SER 13 -0.627 -2.347 -3.576 102 2HB SER 13 2HB SER 13 -1.642 -2.705 -2.182 103 HG SER 13 HG SER 13 -2.119 -0.533 -2.009 104 H TYR 14 H TYR 14 -0.357 0.605 -0.902 105 HA TYR 14 HA TYR 14 1.245 2.037 -2.871 106 1HB TYR 14 1HB TYR 14 -0.956 2.713 -1.435 107 2HB TYR 14 2HB TYR 14 0.298 3.468 -0.451 108 HD1 TYR 14 HD1 TYR 14 -1.077 3.248 -3.905 109 HD2 TYR 14 HD2 TYR 14 1.436 5.426 -1.185 110 HE1 TYR 14 HE1 TYR 14 -0.888 5.089 -5.554 111 HE2 TYR 14 HE2 TYR 14 1.626 7.267 -2.836 112 HH TYR 14 HH TYR 14 0.386 6.943 -6.097 113 H ASP 15 H ASP 15 1.494 1.378 0.622 114 HA ASP 15 HA ASP 15 3.871 2.900 1.071 115 1HB ASP 15 1HB ASP 15 2.469 0.661 2.462 116 2HB ASP 15 2HB ASP 15 4.147 0.968 2.907 117 H GLU 16 H GLU 16 3.486 -0.616 0.484 118 HA GLU 16 HA GLU 16 6.236 -1.249 0.315 119 1HB GLU 16 1HB GLU 16 3.795 -2.580 -0.170 120 2HB GLU 16 2HB GLU 16 4.720 -2.722 -1.666 121 1HG GLU 16 1HG GLU 16 6.703 -3.403 -0.173 122 2HG GLU 16 2HG GLU 16 5.511 -3.612 1.110 123 H TYR 17 H TYR 17 4.000 -0.118 -2.218 124 HA TYR 17 HA TYR 17 5.876 -0.191 -4.369 125 1HB TYR 17 1HB TYR 17 3.921 0.324 -5.394 126 2HB TYR 17 2HB TYR 17 3.200 0.847 -3.877 127 HD1 TYR 17 HD1 TYR 17 5.771 2.025 -6.345 128 HD2 TYR 17 HD2 TYR 17 2.546 3.078 -3.714 129 HE1 TYR 17 HE1 TYR 17 5.929 4.384 -7.099 130 HE2 TYR 17 HE2 TYR 17 2.700 5.437 -4.469 131 HH TYR 17 HH TYR 17 4.805 6.382 -7.126 132 H ARG 18 H ARG 18 4.813 2.588 -2.388 133 HA ARG 18 HA ARG 18 6.802 4.405 -3.296 134 1HB ARG 18 1HB ARG 18 4.673 4.581 -1.599 135 2HB ARG 18 2HB ARG 18 6.008 4.612 -0.448 136 1HG ARG 18 1HG ARG 18 7.051 6.378 -2.047 137 2HG ARG 18 2HG ARG 18 5.418 6.529 -2.696 138 1HD ARG 18 1HD ARG 18 5.768 6.611 0.274 139 2HD ARG 18 2HD ARG 18 6.221 8.039 -0.658 140 HE ARG 18 HE ARG 18 3.827 7.873 -1.615 141 1HH1 ARG 18 1HH1 ARG 18 3.067 5.441 -0.028 142 2HH1 ARG 18 2HH1 ARG 18 2.248 6.139 1.330 143 1HH2 ARG 18 1HH2 ARG 18 3.512 9.321 0.798 144 2HH2 ARG 18 2HH2 ARG 18 2.500 8.332 1.796 145 H TYR 19 H TYR 19 7.058 1.614 -1.343 146 HA TYR 19 HA TYR 19 9.577 2.489 -0.069 147 1HB TYR 19 1HB TYR 19 7.618 0.247 0.266 148 2HB TYR 19 2HB TYR 19 9.267 0.022 0.826 149 HD1 TYR 19 HD1 TYR 19 7.369 3.213 0.732 150 HD2 TYR 19 HD2 TYR 19 8.959 0.072 3.189 151 HE1 TYR 19 HE1 TYR 19 6.852 4.540 2.765 152 HE2 TYR 19 HE2 TYR 19 8.444 1.396 5.223 153 HH TYR 19 HH TYR 19 7.850 3.444 5.979 154 H ARG 20 H ARG 20 8.342 0.408 -2.612 155 HA ARG 20 HA ARG 20 10.664 -1.243 -2.929 156 1HB ARG 20 1HB ARG 20 8.170 -0.762 -4.342 157 2HB ARG 20 2HB ARG 20 9.514 -0.967 -5.467 158 1HG ARG 20 1HG ARG 20 9.800 -2.898 -3.376 159 2HG ARG 20 2HG ARG 20 8.147 -2.986 -3.986 160 1HD ARG 20 1HD ARG 20 9.725 -2.698 -6.279 161 2HD ARG 20 2HD ARG 20 10.621 -3.827 -5.261 162 HE ARG 20 HE ARG 20 7.927 -4.288 -6.398 163 1HH1 ARG 20 1HH2 ARG 20 10.479 -6.047 -6.498 164 2HH1 ARG 20 2HH2 ARG 20 9.999 -7.341 -5.451 165 1HH2 ARG 20 1HH1 ARG 20 7.310 -5.610 -4.108 166 2HH2 ARG 20 2HH1 ARG 20 8.206 -7.093 -4.095 167 H SER 21 H SER 21 10.229 2.072 -3.506 168 HA SER 21 HA SER 21 12.479 2.077 -5.466 169 1HB SER 21 1HB SER 21 10.214 3.204 -6.030 170 2HB SER 21 2HB SER 21 10.704 4.438 -4.874 171 HG SER 21 HG SER 21 11.957 5.205 -6.362 172 H VAL 22 H VAL 22 12.267 2.056 -2.357 173 HA VAL 22 HA VAL 22 14.425 4.022 -1.961 174 HB VAL 22 HB VAL 22 12.740 5.397 -1.241 175 1HG1 VAL 22 1HG1 VAL 22 11.251 2.845 -0.800 176 2HG1 VAL 22 2HG1 VAL 22 10.678 4.319 -0.017 177 3HG1 VAL 22 3HG1 VAL 22 10.809 4.247 -1.775 178 1HG2 VAL 22 1HG2 VAL 22 14.177 4.682 0.766 179 2HG2 VAL 22 2HG2 VAL 22 12.623 5.424 1.144 180 3HG2 VAL 22 3HG2 VAL 22 12.811 3.673 1.240 181 H ILE 23 H ILE 23 12.462 1.369 -0.621 182 HA ILE 23 HA ILE 23 14.530 0.762 1.384 183 HB ILE 23 HB ILE 23 12.181 -1.006 0.725 184 1HG1 ILE 23 1HG1 ILE 23 11.480 1.443 0.912 185 2HG1 ILE 23 2HG1 ILE 23 10.739 0.353 2.078 186 1HG2 ILE 23 1HG2 ILE 23 13.726 -0.313 3.240 187 2HG2 ILE 23 2HG2 ILE 23 12.298 -1.348 3.210 188 3HG2 ILE 23 3HG2 ILE 23 13.765 -1.843 2.365 189 1HD1 ILE 23 1HD1 ILE 23 13.293 1.799 2.746 190 2HD1 ILE 23 2HD1 ILE 23 11.731 2.592 2.950 191 3HD1 ILE 23 3HD1 ILE 23 12.093 1.115 3.843 192 H LYS 24 H LYS 24 12.901 -1.359 -1.002 193 HA LYS 24 HA LYS 24 15.163 -3.148 -1.113 194 1HB LYS 24 1HB LYS 24 12.557 -3.385 -1.827 195 2HB LYS 24 2HB LYS 24 13.284 -3.099 -3.409 196 1HG LYS 24 1HG LYS 24 14.987 -4.918 -2.061 197 2HG LYS 24 2HG LYS 24 13.339 -5.499 -1.820 198 1HD LYS 24 1HD LYS 24 13.636 -4.602 -4.537 199 2HD LYS 24 2HD LYS 24 14.928 -5.742 -4.155 200 1HE LYS 24 1HE LYS 24 12.972 -7.151 -3.072 201 2HE LYS 24 2HE LYS 24 11.957 -6.191 -4.167 202 1HZ LYS 24 1HZ LYS 24 13.745 -6.729 -5.896 203 2HZ LYS 24 2HZ LYS 24 14.218 -7.972 -4.839 204 3HZ LYS 24 3HZ LYS 24 12.651 -7.963 -5.486 205 H ALA 25 H ALA 25 15.907 -3.653 -3.598 206 HA ALA 25 HA ALA 25 17.670 -1.554 -4.319 207 1HB ALA 25 1HB ALA 25 17.593 -4.099 -5.024 208 2HB ALA 25 2HB ALA 25 16.683 -3.476 -6.400 209 3HB ALA 25 3HB ALA 25 18.324 -2.906 -6.098 Start of MODEL 3 1 1H MET 1 1H MET 1 -18.329 0.437 10.951 2 2H MET 1 2H MET 1 -16.867 0.067 11.733 3 3H MET 1 3H MET 1 -17.130 1.628 11.125 4 HA MET 1 HA MET 1 -15.807 0.764 9.468 5 1HB MET 1 1HB MET 1 -16.160 -1.485 10.860 6 2HB MET 1 2HB MET 1 -17.232 -1.869 9.513 7 1HG MET 1 1HG MET 1 -15.483 -1.733 7.929 8 2HG MET 1 2HG MET 1 -14.433 -0.848 9.035 9 1HE MET 1 1HE MET 1 -16.089 -3.763 7.871 10 2HE MET 1 2HE MET 1 -14.513 -4.453 7.494 11 3HE MET 1 3HE MET 1 -15.514 -5.193 8.741 12 HA PRO 2 HA PRO 2 -19.726 1.602 7.188 13 1HB PRO 2 1HB PRO 2 -18.839 3.901 6.001 14 2HB PRO 2 2HB PRO 2 -19.581 3.870 7.613 15 1HG PRO 2 1HG PRO 2 -16.714 4.051 6.854 16 2HG PRO 2 2HG PRO 2 -17.582 4.826 8.187 17 1HD PRO 2 1HD PRO 2 -15.980 2.618 8.472 18 2HD PRO 2 2HD PRO 2 -17.314 3.034 9.571 19 H GLY 3 H GLY 3 -16.631 0.634 6.494 20 1HA GLY 3 1HA GLY 3 -16.726 -0.804 4.320 21 2HA GLY 3 2HA GLY 3 -17.017 0.753 3.540 22 H THR 4 H THR 4 -15.233 1.794 2.821 23 HA THR 4 HA THR 4 -12.941 2.088 2.338 24 HB THR 4 HB THR 4 -13.241 3.628 4.199 25 HG1 THR 4 HG1 THR 4 -10.944 2.222 3.801 26 1HG2 THR 4 1HG2 THR 4 -12.780 1.178 5.913 27 2HG2 THR 4 2HG2 THR 4 -12.778 2.829 6.532 28 3HG2 THR 4 3HG2 THR 4 -14.246 2.154 5.827 29 H ILE 5 H ILE 5 -13.822 -0.706 2.755 30 HA ILE 5 HA ILE 5 -11.718 -2.060 4.241 31 HB ILE 5 HB ILE 5 -13.565 -3.213 2.130 32 1HG1 ILE 5 1HG1 ILE 5 -13.997 -3.101 5.129 33 2HG1 ILE 5 2HG1 ILE 5 -14.720 -1.947 4.008 34 1HG2 ILE 5 1HG2 ILE 5 -11.444 -4.426 3.200 35 2HG2 ILE 5 2HG2 ILE 5 -12.566 -4.683 4.536 36 3HG2 ILE 5 3HG2 ILE 5 -12.953 -5.298 2.930 37 1HD1 ILE 5 1HD1 ILE 5 -15.414 -4.245 2.777 38 2HD1 ILE 5 2HD1 ILE 5 -15.358 -4.818 4.443 39 3HD1 ILE 5 3HD1 ILE 5 -16.423 -3.482 4.005 40 H LYS 6 H LYS 6 -11.965 -0.690 1.102 41 HA LYS 6 HA LYS 6 -9.618 -2.284 0.173 42 1HB LYS 6 1HB LYS 6 -10.204 -1.624 -2.072 43 2HB LYS 6 2HB LYS 6 -11.679 -2.189 -1.289 44 1HG LYS 6 1HG LYS 6 -12.073 0.280 -0.655 45 2HG LYS 6 2HG LYS 6 -10.834 0.653 -1.854 46 1HD LYS 6 1HD LYS 6 -12.428 -1.121 -3.223 47 2HD LYS 6 2HD LYS 6 -13.609 -0.244 -2.248 48 1HE LYS 6 1HE LYS 6 -12.360 1.899 -3.061 49 2HE LYS 6 2HE LYS 6 -11.713 0.841 -4.330 50 1HZ LYS 6 1HZ LYS 6 -14.506 0.412 -3.865 51 2HZ LYS 6 2HZ LYS 6 -14.185 2.010 -4.334 52 3HZ LYS 6 3HZ LYS 6 -13.690 0.722 -5.323 53 H GLU 7 H GLU 7 -10.757 0.962 0.901 54 HA GLU 7 HA GLU 7 -8.592 2.422 -0.262 55 1HB GLU 7 1HB GLU 7 -10.389 3.000 2.107 56 2HB GLU 7 2HB GLU 7 -9.182 4.148 1.524 57 1HG GLU 7 1HG GLU 7 -10.643 3.205 -0.739 58 2HG GLU 7 2HG GLU 7 -11.811 3.673 0.497 59 H ASN 8 H ASN 8 -8.800 0.423 2.564 60 HA ASN 8 HA ASN 8 -6.424 1.556 3.846 61 1HB ASN 8 1HB ASN 8 -8.100 0.526 5.269 62 2HB ASN 8 2HB ASN 8 -8.004 -0.981 4.360 63 1HD2 ASN 8 2HD2 ASN 8 -5.617 1.238 5.940 64 2HD2 ASN 8 1HD2 ASN 8 -4.750 -0.008 6.700 65 H ILE 9 H ILE 9 -7.176 -1.540 2.201 66 HA ILE 9 HA ILE 9 -4.481 -2.500 2.207 67 HB ILE 9 HB ILE 9 -6.667 -3.103 0.193 68 1HG1 ILE 9 1HG1 ILE 9 -7.484 -3.510 2.450 69 2HG1 ILE 9 2HG1 ILE 9 -7.110 -5.061 1.698 70 1HG2 ILE 9 1HG2 ILE 9 -3.961 -3.888 0.312 71 2HG2 ILE 9 2HG2 ILE 9 -4.885 -5.274 0.889 72 3HG2 ILE 9 3HG2 ILE 9 -5.227 -4.586 -0.699 73 1HD1 ILE 9 1HD1 ILE 9 -4.762 -4.761 2.783 74 2HD1 ILE 9 2HD1 ILE 9 -5.563 -3.573 3.811 75 3HD1 ILE 9 3HD1 ILE 9 -6.106 -5.251 3.814 76 H ILE 10 H ILE 10 -6.335 -0.707 -0.269 77 HA ILE 10 HA ILE 10 -4.455 -0.619 -2.325 78 HB ILE 10 HB ILE 10 -6.344 1.516 -1.312 79 1HG1 ILE 10 1HG1 ILE 10 -6.441 -0.032 -3.901 80 2HG1 ILE 10 2HG1 ILE 10 -7.099 -0.708 -2.411 81 1HG2 ILE 10 1HG2 ILE 10 -4.466 1.544 -3.682 82 2HG2 ILE 10 2HG2 ILE 10 -5.923 2.537 -3.627 83 3HG2 ILE 10 3HG2 ILE 10 -4.651 2.770 -2.427 84 1HD1 ILE 10 1HD1 ILE 10 -8.000 2.003 -2.661 85 2HD1 ILE 10 2HD1 ILE 10 -8.333 1.158 -4.172 86 3HD1 ILE 10 3HD1 ILE 10 -8.964 0.525 -2.651 87 H GLY 11 H GLY 11 -4.373 1.006 0.778 88 1HA GLY 11 1HA GLY 11 -2.120 2.728 0.033 89 2HA GLY 11 2HA GLY 11 -2.803 2.556 1.653 90 H VAL 12 H VAL 12 -2.613 -0.455 1.337 91 HA VAL 12 HA VAL 12 -0.073 -0.806 2.623 92 HB VAL 12 HB VAL 12 -1.932 -2.808 1.304 93 1HG1 VAL 12 1HG1 VAL 12 0.712 -3.085 2.605 94 2HG1 VAL 12 2HG1 VAL 12 -0.527 -4.201 3.180 95 3HG1 VAL 12 3HG1 VAL 12 -0.102 -4.161 1.469 96 1HG2 VAL 12 1HG2 VAL 12 -2.547 -1.329 3.415 97 2HG2 VAL 12 2HG2 VAL 12 -2.942 -3.048 3.386 98 3HG2 VAL 12 3HG2 VAL 12 -1.514 -2.484 4.257 99 H SER 13 H SER 13 -1.143 -1.109 -0.727 100 HA SER 13 HA SER 13 1.336 -2.318 -1.655 101 1HB SER 13 1HB SER 13 -1.219 -1.565 -2.785 102 2HB SER 13 2HB SER 13 0.093 -0.987 -3.811 103 HG SER 13 HG SER 13 0.907 -3.295 -3.274 104 H TYR 14 H TYR 14 0.120 0.954 -1.237 105 HA TYR 14 HA TYR 14 1.965 2.372 -2.848 106 1HB TYR 14 1HB TYR 14 0.475 3.021 -0.321 107 2HB TYR 14 2HB TYR 14 1.676 4.154 -0.940 108 HD1 TYR 14 HD1 TYR 14 -0.586 1.886 -2.857 109 HD2 TYR 14 HD2 TYR 14 0.381 5.935 -1.800 110 HE1 TYR 14 HE1 TYR 14 -2.221 2.712 -4.529 111 HE2 TYR 14 HE2 TYR 14 -1.253 6.762 -3.473 112 HH TYR 14 HH TYR 14 -3.443 5.723 -4.571 113 H ASP 15 H ASP 15 2.261 1.294 0.541 114 HA ASP 15 HA ASP 15 4.811 2.388 1.078 115 1HB ASP 15 1HB ASP 15 3.336 -0.031 2.088 116 2HB ASP 15 2HB ASP 15 5.001 0.257 2.593 117 H GLU 16 H GLU 16 3.954 -0.764 -0.360 118 HA GLU 16 HA GLU 16 6.527 -1.851 -0.660 119 1HB GLU 16 1HB GLU 16 3.982 -2.492 -1.569 120 2HB GLU 16 2HB GLU 16 4.874 -2.185 -3.059 121 1HG GLU 16 1HG GLU 16 5.974 -4.137 -2.862 122 2HG GLU 16 2HG GLU 16 6.512 -3.711 -1.237 123 H TYR 17 H TYR 17 4.830 0.492 -2.726 124 HA TYR 17 HA TYR 17 6.906 0.701 -4.699 125 1HB TYR 17 1HB TYR 17 5.117 1.784 -5.603 126 2HB TYR 17 2HB TYR 17 4.404 2.082 -4.023 127 HD1 TYR 17 HD1 TYR 17 7.551 3.182 -5.760 128 HD2 TYR 17 HD2 TYR 17 4.002 4.341 -3.636 129 HE1 TYR 17 HE1 TYR 17 8.245 5.558 -5.897 130 HE2 TYR 17 HE2 TYR 17 4.698 6.719 -3.772 131 HH TYR 17 HH TYR 17 7.180 7.793 -5.820 132 H ARG 18 H ARG 18 6.033 2.995 -2.096 133 HA ARG 18 HA ARG 18 8.386 4.553 -2.230 134 1HB ARG 18 1HB ARG 18 6.178 4.759 -0.755 135 2HB ARG 18 2HB ARG 18 7.190 3.961 0.450 136 1HG ARG 18 1HG ARG 18 8.396 5.835 0.806 137 2HG ARG 18 2HG ARG 18 8.617 6.100 -0.924 138 1HD ARG 18 1HD ARG 18 5.907 6.642 -0.456 139 2HD ARG 18 2HD ARG 18 6.758 7.382 0.900 140 HE ARG 18 HE ARG 18 7.446 7.971 -1.954 141 1HH1 ARG 18 1HH1 ARG 18 8.156 8.641 1.264 142 2HH1 ARG 18 2HH1 ARG 18 8.104 10.364 1.098 143 1HH2 ARG 18 1HH2 ARG 18 6.884 10.279 -2.145 144 2HH2 ARG 18 2HH2 ARG 18 7.385 11.291 -0.832 145 H TYR 19 H TYR 19 7.881 1.340 -1.109 146 HA TYR 19 HA TYR 19 10.347 1.233 0.477 147 1HB TYR 19 1HB TYR 19 8.132 -0.664 -0.265 148 2HB TYR 19 2HB TYR 19 9.623 -1.274 0.420 149 HD1 TYR 19 HD1 TYR 19 9.810 1.601 2.050 150 HD2 TYR 19 HD2 TYR 19 7.024 -1.660 1.759 151 HE1 TYR 19 HE1 TYR 19 8.957 2.128 4.309 152 HE2 TYR 19 HE2 TYR 19 6.173 -1.129 4.024 153 HH TYR 19 HH TYR 19 6.290 1.426 5.476 154 H ARG 20 H ARG 20 9.246 0.638 -2.755 155 HA ARG 20 HA ARG 20 11.253 -1.255 -3.555 156 1HB ARG 20 1HB ARG 20 9.192 -0.840 -4.857 157 2HB ARG 20 2HB ARG 20 9.762 0.788 -5.228 158 1HG ARG 20 1HG ARG 20 10.351 -0.536 -7.120 159 2HG ARG 20 2HG ARG 20 11.847 -0.323 -6.209 160 1HD ARG 20 1HD ARG 20 11.646 -2.664 -6.848 161 2HD ARG 20 2HD ARG 20 11.433 -2.528 -5.103 162 HE ARG 20 HE ARG 20 8.872 -2.367 -6.360 163 1HH1 ARG 20 1HH1 ARG 20 10.972 -4.655 -7.356 164 2HH1 ARG 20 2HH1 ARG 20 10.192 -6.012 -6.617 165 1HH2 ARG 20 1HH2 ARG 20 8.055 -4.072 -4.693 166 2HH2 ARG 20 2HH2 ARG 20 8.539 -5.682 -5.109 167 H SER 21 H SER 21 11.398 2.143 -2.931 168 HA SER 21 HA SER 21 13.971 2.328 -4.428 169 1HB SER 21 1HB SER 21 12.036 4.049 -4.706 170 2HB SER 21 2HB SER 21 12.573 4.662 -3.144 171 HG SER 21 HG SER 21 14.437 4.177 -5.191 172 H VAL 22 H VAL 22 13.275 1.210 -1.609 173 HA VAL 22 HA VAL 22 15.628 2.393 -0.301 174 HB VAL 22 HB VAL 22 14.132 3.789 0.720 175 1HG1 VAL 22 1HG1 VAL 22 12.113 1.647 0.152 176 2HG1 VAL 22 2HG1 VAL 22 11.729 2.989 1.230 177 3HG1 VAL 22 3HG1 VAL 22 12.167 3.302 -0.450 178 1HG2 VAL 22 1HG2 VAL 22 15.007 1.928 2.383 179 2HG2 VAL 22 2HG2 VAL 22 13.799 3.096 2.923 180 3HG2 VAL 22 3HG2 VAL 22 13.302 1.476 2.435 181 H ILE 23 H ILE 23 12.965 0.015 -0.055 182 HA ILE 23 HA ILE 23 14.507 -1.690 1.741 183 HB ILE 23 HB ILE 23 12.053 -2.501 0.181 184 1HG1 ILE 23 1HG1 ILE 23 11.738 -0.247 1.271 185 2HG1 ILE 23 2HG1 ILE 23 10.688 -1.501 1.920 186 1HG2 ILE 23 1HG2 ILE 23 13.679 -3.679 2.215 187 2HG2 ILE 23 2HG2 ILE 23 12.107 -3.310 2.923 188 3HG2 ILE 23 3HG2 ILE 23 12.209 -4.327 1.486 189 1HD1 ILE 23 1HD1 ILE 23 13.360 -0.857 3.168 190 2HD1 ILE 23 2HD1 ILE 23 11.884 -0.012 3.633 191 3HD1 ILE 23 3HD1 ILE 23 12.016 -1.753 3.875 192 H LYS 24 H LYS 24 13.132 -2.384 -1.502 193 HA LYS 24 HA LYS 24 15.126 -4.483 -1.912 194 1HB LYS 24 1HB LYS 24 12.826 -4.690 -2.814 195 2HB LYS 24 2HB LYS 24 13.120 -3.297 -3.855 196 1HG LYS 24 1HG LYS 24 15.292 -5.111 -4.209 197 2HG LYS 24 2HG LYS 24 13.797 -6.036 -4.335 198 1HD LYS 24 1HD LYS 24 13.470 -5.208 -6.400 199 2HD LYS 24 2HD LYS 24 13.400 -3.580 -5.725 200 1HE LYS 24 1HE LYS 24 15.718 -3.210 -6.069 201 2HE LYS 24 2HE LYS 24 16.047 -4.943 -6.272 202 1HZ LYS 24 1HZ LYS 24 14.200 -4.608 -8.131 203 2HZ LYS 24 2HZ LYS 24 14.872 -3.048 -8.153 204 3HZ LYS 24 3HZ LYS 24 15.856 -4.397 -8.450 205 H ALA 25 H ALA 25 15.076 -1.119 -2.331 206 HA ALA 25 HA ALA 25 17.421 -1.320 -4.175 207 1HB ALA 25 1HB ALA 25 15.127 -0.334 -5.074 208 2HB ALA 25 2HB ALA 25 15.667 1.109 -4.216 209 3HB ALA 25 3HB ALA 25 16.659 0.426 -5.504 Start of MODEL 4 1 1H MET 1 1H MET 1 -19.750 3.014 8.775 2 2H MET 1 2H MET 1 -21.131 3.232 7.810 3 3H MET 1 3H MET 1 -20.915 1.786 8.676 4 HA MET 1 HA MET 1 -19.971 0.907 6.867 5 1HB MET 1 1HB MET 1 -19.647 2.402 4.887 6 2HB MET 1 2HB MET 1 -21.235 2.605 5.629 7 1HG MET 1 1HG MET 1 -20.813 4.767 6.099 8 2HG MET 1 2HG MET 1 -19.292 4.350 6.887 9 1HE MET 1 1HE MET 1 -20.793 6.442 4.582 10 2HE MET 1 2HE MET 1 -19.393 7.081 5.439 11 3HE MET 1 3HE MET 1 -19.419 7.060 3.669 12 HA PRO 2 HA PRO 2 -15.877 2.587 8.379 13 1HB PRO 2 1HB PRO 2 -15.317 0.693 10.264 14 2HB PRO 2 2HB PRO 2 -16.219 2.176 10.626 15 1HG PRO 2 1HG PRO 2 -17.197 -0.592 10.292 16 2HG PRO 2 2HG PRO 2 -17.828 0.719 11.296 17 1HD PRO 2 1HD PRO 2 -18.875 -0.117 8.848 18 2HD PRO 2 2HD PRO 2 -19.241 1.413 9.673 19 H GLY 3 H GLY 3 -17.018 0.212 6.531 20 1HA GLY 3 1HA GLY 3 -15.247 -1.943 6.504 21 2HA GLY 3 2HA GLY 3 -15.961 -1.265 5.040 22 H THR 4 H THR 4 -13.057 -1.975 6.427 23 HA THR 4 HA THR 4 -11.670 0.281 5.034 24 HB THR 4 HB THR 4 -11.101 0.185 7.403 25 HG1 THR 4 HG1 THR 4 -8.985 0.243 7.078 26 1HG2 THR 4 1HG2 THR 4 -10.493 -2.719 6.804 27 2HG2 THR 4 2HG2 THR 4 -9.980 -1.902 8.281 28 3HG2 THR 4 3HG2 THR 4 -11.698 -2.090 7.927 29 H ILE 5 H ILE 5 -12.711 -2.018 3.643 30 HA ILE 5 HA ILE 5 -10.430 -3.801 3.144 31 HB ILE 5 HB ILE 5 -12.864 -3.698 1.391 32 1HG1 ILE 5 1HG1 ILE 5 -13.837 -3.505 3.597 33 2HG1 ILE 5 2HG1 ILE 5 -13.991 -5.190 3.099 34 1HG2 ILE 5 1HG2 ILE 5 -10.858 -5.295 1.140 35 2HG2 ILE 5 2HG2 ILE 5 -11.447 -6.072 2.609 36 3HG2 ILE 5 3HG2 ILE 5 -12.462 -6.028 1.168 37 1HD1 ILE 5 1HD1 ILE 5 -11.891 -5.706 4.358 38 2HD1 ILE 5 2HD1 ILE 5 -11.873 -4.042 4.942 39 3HD1 ILE 5 3HD1 ILE 5 -13.191 -5.122 5.397 40 H LYS 6 H LYS 6 -11.470 -0.763 2.032 41 HA LYS 6 HA LYS 6 -9.882 -1.086 -0.485 42 1HB LYS 6 1HB LYS 6 -12.031 0.950 0.181 43 2HB LYS 6 2HB LYS 6 -11.145 0.857 -1.342 44 1HG LYS 6 1HG LYS 6 -12.464 -0.804 -2.108 45 2HG LYS 6 2HG LYS 6 -12.298 -1.717 -0.607 46 1HD LYS 6 1HD LYS 6 -14.045 0.730 -0.692 47 2HD LYS 6 2HD LYS 6 -14.660 -0.815 -1.281 48 1HE LYS 6 1HE LYS 6 -13.571 -1.622 1.076 49 2HE LYS 6 2HE LYS 6 -14.060 0.032 1.501 50 1HZ LYS 6 1HZ LYS 6 -16.193 -0.564 0.225 51 2HZ LYS 6 2HZ LYS 6 -15.723 -2.178 0.470 52 3HZ LYS 6 3HZ LYS 6 -16.006 -1.168 1.802 53 H GLU 7 H GLU 7 -10.170 0.585 2.537 54 HA GLU 7 HA GLU 7 -8.301 2.721 1.757 55 1HB GLU 7 1HB GLU 7 -10.178 3.090 3.390 56 2HB GLU 7 2HB GLU 7 -9.343 2.017 4.514 57 1HG GLU 7 1HG GLU 7 -7.554 4.047 3.429 58 2HG GLU 7 2HG GLU 7 -8.934 4.764 4.261 59 H ASN 8 H ASN 8 -8.083 -0.490 2.840 60 HA ASN 8 HA ASN 8 -5.454 -0.060 4.146 61 1HB ASN 8 1HB ASN 8 -7.209 -1.632 5.109 62 2HB ASN 8 2HB ASN 8 -6.908 -2.682 3.723 63 1HD2 ASN 8 2HD2 ASN 8 -5.798 -1.861 6.868 64 2HD2 ASN 8 1HD2 ASN 8 -4.336 -2.722 6.825 65 H ILE 9 H ILE 9 -6.869 -1.960 1.468 66 HA ILE 9 HA ILE 9 -4.386 -2.953 0.468 67 HB ILE 9 HB ILE 9 -6.946 -2.351 -1.048 68 1HG1 ILE 9 1HG1 ILE 9 -7.309 -3.852 0.864 69 2HG1 ILE 9 2HG1 ILE 9 -7.413 -4.760 -0.645 70 1HG2 ILE 9 1HG2 ILE 9 -4.442 -3.903 -1.693 71 2HG2 ILE 9 2HG2 ILE 9 -5.981 -4.320 -2.446 72 3HG2 ILE 9 3HG2 ILE 9 -5.289 -2.716 -2.685 73 1HD1 ILE 9 1HD1 ILE 9 -4.985 -5.374 -0.352 74 2HD1 ILE 9 2HD1 ILE 9 -5.050 -4.632 1.247 75 3HD1 ILE 9 3HD1 ILE 9 -6.049 -6.040 0.886 76 H ILE 10 H ILE 10 -6.123 0.076 -0.103 77 HA ILE 10 HA ILE 10 -4.773 1.048 -2.349 78 HB ILE 10 HB ILE 10 -6.614 2.155 -0.839 79 1HG1 ILE 10 1HG1 ILE 10 -4.432 3.869 -2.061 80 2HG1 ILE 10 2HG1 ILE 10 -5.677 3.037 -2.992 81 1HG2 ILE 10 1HG2 ILE 10 -5.045 2.286 1.145 82 2HG2 ILE 10 2HG2 ILE 10 -4.136 3.509 0.259 83 3HG2 ILE 10 3HG2 ILE 10 -5.812 3.814 0.714 84 1HD1 ILE 10 1HD1 ILE 10 -7.140 4.341 -1.040 85 2HD1 ILE 10 2HD1 ILE 10 -5.864 5.500 -1.411 86 3HD1 ILE 10 3HD1 ILE 10 -6.918 4.907 -2.696 87 H GLY 11 H GLY 11 -3.641 0.821 0.985 88 1HA GLY 11 1HA GLY 11 -1.175 2.287 0.476 89 2HA GLY 11 2HA GLY 11 -1.533 1.337 1.920 90 H VAL 12 H VAL 12 -2.133 -1.130 0.633 91 HA VAL 12 HA VAL 12 0.414 -2.324 0.435 92 HB VAL 12 HB VAL 12 -2.249 -3.159 -0.745 93 1HG1 VAL 12 1HG1 VAL 12 0.469 -4.370 -0.921 94 2HG1 VAL 12 2HG1 VAL 12 -0.873 -5.464 -0.590 95 3HG1 VAL 12 3HG1 VAL 12 -0.882 -4.475 -2.048 96 1HG2 VAL 12 1HG2 VAL 12 -1.869 -2.998 1.790 97 2HG2 VAL 12 2HG2 VAL 12 -2.424 -4.557 1.181 98 3HG2 VAL 12 3HG2 VAL 12 -0.725 -4.325 1.593 99 H SER 13 H SER 13 -1.567 -0.752 -2.015 100 HA SER 13 HA SER 13 0.403 -1.468 -4.117 101 1HB SER 13 1HB SER 13 -2.413 -0.846 -4.078 102 2HB SER 13 2HB SER 13 -1.577 0.270 -5.154 103 HG SER 13 HG SER 13 -2.263 -1.804 -6.078 104 H TYR 14 H TYR 14 -0.046 0.920 -1.819 105 HA TYR 14 HA TYR 14 1.284 2.973 -3.532 106 1HB TYR 14 1HB TYR 14 -0.728 3.115 -1.372 107 2HB TYR 14 2HB TYR 14 0.555 4.320 -1.271 108 HD1 TYR 14 HD1 TYR 14 1.230 5.209 -3.803 109 HD2 TYR 14 HD2 TYR 14 -2.627 3.842 -2.500 110 HE1 TYR 14 HE1 TYR 14 0.156 6.511 -5.619 111 HE2 TYR 14 HE2 TYR 14 -3.703 5.144 -4.316 112 HH TYR 14 HH TYR 14 -1.837 7.340 -6.353 113 H ASP 15 H ASP 15 1.247 1.844 -0.123 114 HA ASP 15 HA ASP 15 3.743 2.995 0.594 115 1HB ASP 15 1HB ASP 15 1.932 1.803 2.068 116 2HB ASP 15 2HB ASP 15 2.851 0.342 1.705 117 H GLU 16 H GLU 16 2.989 -0.256 -0.677 118 HA GLU 16 HA GLU 16 5.624 -1.294 -0.655 119 1HB GLU 16 1HB GLU 16 3.159 -2.194 -1.523 120 2HB GLU 16 2HB GLU 16 4.064 -2.037 -3.029 121 1HG GLU 16 1HG GLU 16 4.518 -4.242 -2.241 122 2HG GLU 16 2HG GLU 16 5.957 -3.296 -1.857 123 H TYR 17 H TYR 17 3.914 0.492 -3.233 124 HA TYR 17 HA TYR 17 6.024 0.527 -5.121 125 1HB TYR 17 1HB TYR 17 4.479 1.720 -6.264 126 2HB TYR 17 2HB TYR 17 3.476 1.748 -4.820 127 HD1 TYR 17 HD1 TYR 17 6.469 3.492 -6.265 128 HD2 TYR 17 HD2 TYR 17 2.895 3.821 -3.910 129 HE1 TYR 17 HE1 TYR 17 6.814 5.942 -6.087 130 HE2 TYR 17 HE2 TYR 17 3.237 6.271 -3.731 131 HH TYR 17 HH TYR 17 4.554 8.065 -5.310 132 H ARG 18 H ARG 18 5.176 2.983 -2.693 133 HA ARG 18 HA ARG 18 7.481 4.614 -3.025 134 1HB ARG 18 1HB ARG 18 5.290 4.967 -1.604 135 2HB ARG 18 2HB ARG 18 6.229 4.203 -0.322 136 1HG ARG 18 1HG ARG 18 7.688 5.963 -0.143 137 2HG ARG 18 2HG ARG 18 7.586 6.359 -1.860 138 1HD ARG 18 1HD ARG 18 5.045 6.730 -0.441 139 2HD ARG 18 2HD ARG 18 6.339 7.758 0.174 140 HE ARG 18 HE ARG 18 4.961 8.329 -2.170 141 1HH1 ARG 18 1HH2 ARG 18 7.097 10.139 -1.313 142 2HH1 ARG 18 2HH2 ARG 18 8.293 9.968 -2.556 143 1HH2 ARG 18 1HH1 ARG 18 6.972 7.004 -3.783 144 2HH2 ARG 18 2HH1 ARG 18 8.218 8.194 -3.958 145 H TYR 19 H TYR 19 7.142 1.473 -1.724 146 HA TYR 19 HA TYR 19 9.652 1.680 -0.157 147 1HB TYR 19 1HB TYR 19 7.246 -0.058 -0.179 148 2HB TYR 19 2HB TYR 19 8.769 -0.830 0.244 149 HD1 TYR 19 HD1 TYR 19 7.397 2.602 0.865 150 HD2 TYR 19 HD2 TYR 19 8.918 -1.041 2.550 151 HE1 TYR 19 HE1 TYR 19 7.283 3.600 3.135 152 HE2 TYR 19 HE2 TYR 19 8.806 -0.047 4.821 153 HH TYR 19 HH TYR 19 7.788 1.693 6.011 154 H ARG 20 H ARG 20 8.433 0.549 -3.177 155 HA ARG 20 HA ARG 20 10.251 -1.653 -3.578 156 1HB ARG 20 1HB ARG 20 8.149 -0.364 -5.038 157 2HB ARG 20 2HB ARG 20 9.560 -0.502 -6.089 158 1HG ARG 20 1HG ARG 20 9.366 -2.952 -4.674 159 2HG ARG 20 2HG ARG 20 7.743 -2.570 -5.249 160 1HD ARG 20 1HD ARG 20 8.447 -3.466 -7.213 161 2HD ARG 20 2HD ARG 20 9.273 -1.924 -7.436 162 HE ARG 20 HE ARG 20 10.678 -4.188 -6.090 163 1HH1 ARG 20 1HH1 ARG 20 11.143 -1.221 -7.488 164 2HH1 ARG 20 2HH1 ARG 20 12.388 -1.713 -8.588 165 1HH2 ARG 20 1HH2 ARG 20 11.958 -5.099 -7.976 166 2HH2 ARG 20 2HH2 ARG 20 12.850 -3.909 -8.864 167 H SER 21 H SER 21 10.667 1.800 -3.838 168 HA SER 21 HA SER 21 13.315 1.294 -5.135 169 1HB SER 21 1HB SER 21 11.496 2.612 -6.431 170 2HB SER 21 2HB SER 21 11.836 3.912 -5.295 171 HG SER 21 HG SER 21 13.337 4.314 -6.748 172 H VAL 22 H VAL 22 12.970 1.205 -2.313 173 HA VAL 22 HA VAL 22 14.757 3.387 -1.530 174 HB VAL 22 HB VAL 22 12.797 4.530 -1.082 175 1HG1 VAL 22 1HG1 VAL 22 11.661 1.805 -0.612 176 2HG1 VAL 22 2HG1 VAL 22 10.826 3.219 0.027 177 3HG1 VAL 22 3HG1 VAL 22 11.105 3.068 -1.707 178 1HG2 VAL 22 1HG2 VAL 22 14.190 3.659 1.090 179 2HG2 VAL 22 2HG2 VAL 22 12.847 4.798 1.185 180 3HG2 VAL 22 3HG2 VAL 22 12.569 3.082 1.483 181 H ILE 23 H ILE 23 12.938 0.472 -0.595 182 HA ILE 23 HA ILE 23 14.452 0.015 1.822 183 HB ILE 23 HB ILE 23 12.984 -2.067 0.185 184 1HG1 ILE 23 1HG1 ILE 23 11.641 0.055 0.644 185 2HG1 ILE 23 2HG1 ILE 23 10.959 -1.430 1.299 186 1HG2 ILE 23 1HG2 ILE 23 14.317 -1.999 2.757 187 2HG2 ILE 23 2HG2 ILE 23 12.607 -2.384 2.956 188 3HG2 ILE 23 3HG2 ILE 23 13.620 -3.376 1.905 189 1HD1 ILE 23 1HD1 ILE 23 12.784 0.334 2.935 190 2HD1 ILE 23 2HD1 ILE 23 11.042 0.602 2.877 191 3HD1 ILE 23 3HD1 ILE 23 11.681 -0.918 3.504 192 H LYS 24 H LYS 24 14.490 -1.763 -1.295 193 HA LYS 24 HA LYS 24 17.338 -1.764 -1.518 194 1HB LYS 24 1HB LYS 24 16.199 -3.741 0.298 195 2HB LYS 24 2HB LYS 24 17.093 -4.502 -1.020 196 1HG LYS 24 1HG LYS 24 18.634 -2.275 -0.190 197 2HG LYS 24 2HG LYS 24 18.123 -3.104 1.281 198 1HD LYS 24 1HD LYS 24 18.814 -5.222 -0.310 199 2HD LYS 24 2HD LYS 24 19.973 -4.001 -0.838 200 1HE LYS 24 1HE LYS 24 20.174 -3.632 1.827 201 2HE LYS 24 2HE LYS 24 19.727 -5.350 1.807 202 1HZ LYS 24 1HZ LYS 24 21.446 -5.244 -0.228 203 2HZ LYS 24 2HZ LYS 24 22.115 -4.051 0.777 204 3HZ LYS 24 3HZ LYS 24 21.905 -5.633 1.360 205 H ALA 25 H ALA 25 15.069 -4.494 -1.935 206 HA ALA 25 HA ALA 25 14.801 -3.939 -4.801 207 1HB ALA 25 1HB ALA 25 16.755 -5.897 -3.754 208 2HB ALA 25 2HB ALA 25 15.695 -6.514 -5.021 209 3HB ALA 25 3HB ALA 25 16.697 -5.094 -5.324 Start of MODEL 5 1 1H MET 1 1H MET 1 -18.992 0.702 0.032 2 2H MET 1 2H MET 1 -17.459 0.965 -0.643 3 3H MET 1 3H MET 1 -18.169 -0.577 -0.723 4 HA MET 1 HA MET 1 -17.942 -0.910 1.613 5 1HB MET 1 1HB MET 1 -15.484 0.352 0.352 6 2HB MET 1 2HB MET 1 -15.473 -0.790 1.697 7 1HG MET 1 1HG MET 1 -17.003 -2.116 -0.164 8 2HG MET 1 2HG MET 1 -15.824 -1.289 -1.181 9 1HE MET 1 1HE MET 1 -16.469 -2.883 1.969 10 2HE MET 1 2HE MET 1 -15.807 -4.501 1.699 11 3HE MET 1 3HE MET 1 -14.895 -3.316 2.630 12 HA PRO 2 HA PRO 2 -18.416 3.272 3.386 13 1HB PRO 2 1HB PRO 2 -20.051 2.470 5.427 14 2HB PRO 2 2HB PRO 2 -20.653 2.839 3.798 15 1HG PRO 2 1HG PRO 2 -20.120 0.204 5.066 16 2HG PRO 2 2HG PRO 2 -21.417 0.684 3.962 17 1HD PRO 2 1HD PRO 2 -19.206 -0.737 3.195 18 2HD PRO 2 2HD PRO 2 -20.149 0.299 2.102 19 H GLY 3 H GLY 3 -16.887 0.448 4.277 20 1HA GLY 3 1HA GLY 3 -16.089 1.470 6.960 21 2HA GLY 3 2HA GLY 3 -15.835 -0.179 6.387 22 H THR 4 H THR 4 -13.561 0.196 7.073 23 HA THR 4 HA THR 4 -12.044 1.670 4.955 24 HB THR 4 HB THR 4 -11.944 2.808 7.179 25 HG1 THR 4 HG1 THR 4 -9.422 1.682 6.807 26 1HG2 THR 4 1HG2 THR 4 -11.751 0.174 8.123 27 2HG2 THR 4 2HG2 THR 4 -10.163 0.881 8.415 28 3HG2 THR 4 3HG2 THR 4 -11.605 1.649 9.079 29 H ILE 5 H ILE 5 -12.827 -1.134 4.956 30 HA ILE 5 HA ILE 5 -10.455 -2.671 5.732 31 HB ILE 5 HB ILE 5 -12.749 -3.587 3.983 32 1HG1 ILE 5 1HG1 ILE 5 -13.590 -2.557 6.092 33 2HG1 ILE 5 2HG1 ILE 5 -13.869 -4.298 6.044 34 1HG2 ILE 5 1HG2 ILE 5 -10.607 -4.909 5.635 35 2HG2 ILE 5 2HG2 ILE 5 -12.117 -5.752 5.292 36 3HG2 ILE 5 3HG2 ILE 5 -11.075 -5.234 3.966 37 1HD1 ILE 5 1HD1 ILE 5 -11.261 -3.730 7.163 38 2HD1 ILE 5 2HD1 ILE 5 -12.513 -2.859 8.049 39 3HD1 ILE 5 3HD1 ILE 5 -12.608 -4.612 7.883 40 H LYS 6 H LYS 6 -11.766 -1.217 2.807 41 HA LYS 6 HA LYS 6 -9.751 -2.539 1.108 42 1HB LYS 6 1HB LYS 6 -12.100 -2.026 0.321 43 2HB LYS 6 2HB LYS 6 -11.671 -0.315 0.366 44 1HG LYS 6 1HG LYS 6 -10.011 -0.578 -1.320 45 2HG LYS 6 2HG LYS 6 -10.032 -2.336 -1.173 46 1HD LYS 6 1HD LYS 6 -11.293 -1.893 -3.132 47 2HD LYS 6 2HD LYS 6 -12.505 -2.188 -1.885 48 1HE LYS 6 1HE LYS 6 -12.302 0.442 -1.529 49 2HE LYS 6 2HE LYS 6 -11.756 0.389 -3.216 50 1HZ LYS 6 1HZ LYS 6 -13.749 -1.263 -3.434 51 2HZ LYS 6 2HZ LYS 6 -14.334 -0.429 -2.074 52 3HZ LYS 6 3HZ LYS 6 -14.013 0.411 -3.515 53 H GLU 7 H GLU 7 -10.275 0.555 2.689 54 HA GLU 7 HA GLU 7 -8.189 1.948 1.220 55 1HB GLU 7 1HB GLU 7 -9.844 2.511 3.658 56 2HB GLU 7 2HB GLU 7 -8.406 3.486 3.359 57 1HG GLU 7 1HG GLU 7 -9.782 3.251 0.882 58 2HG GLU 7 2HG GLU 7 -10.980 3.678 2.104 59 H ASN 8 H ASN 8 -8.388 0.472 4.465 60 HA ASN 8 HA ASN 8 -5.833 1.055 5.423 61 1HB ASN 8 1HB ASN 8 -7.565 -0.196 6.700 62 2HB ASN 8 2HB ASN 8 -7.269 -1.607 5.684 63 1HD2 ASN 8 2HD2 ASN 8 -6.568 -0.576 8.687 64 2HD2 ASN 8 1HD2 ASN 8 -5.007 -1.213 8.887 65 H ILE 9 H ILE 9 -6.793 -1.352 3.018 66 HA ILE 9 HA ILE 9 -4.207 -2.630 2.866 67 HB ILE 9 HB ILE 9 -6.305 -2.452 0.684 68 1HG1 ILE 9 1HG1 ILE 9 -7.235 -3.241 2.874 69 2HG1 ILE 9 2HG1 ILE 9 -7.250 -4.493 1.631 70 1HG2 ILE 9 1HG2 ILE 9 -3.943 -3.331 0.197 71 2HG2 ILE 9 2HG2 ILE 9 -4.335 -4.669 1.277 72 3HG2 ILE 9 3HG2 ILE 9 -5.276 -4.416 -0.193 73 1HD1 ILE 9 1HD1 ILE 9 -4.966 -4.201 3.590 74 2HD1 ILE 9 2HD1 ILE 9 -6.379 -5.199 3.936 75 3HD1 ILE 9 3HD1 ILE 9 -5.344 -5.582 2.559 76 H ILE 10 H ILE 10 -5.674 0.175 1.298 77 HA ILE 10 HA ILE 10 -3.727 0.524 -0.753 78 HB ILE 10 HB ILE 10 -6.008 1.814 -0.163 79 1HG1 ILE 10 1HG1 ILE 10 -3.598 2.916 -1.628 80 2HG1 ILE 10 2HG1 ILE 10 -4.911 1.954 -2.308 81 1HG2 ILE 10 1HG2 ILE 10 -4.841 2.898 1.847 82 2HG2 ILE 10 2HG2 ILE 10 -3.914 3.830 0.674 83 3HG2 ILE 10 3HG2 ILE 10 -5.668 3.996 0.742 84 1HD1 ILE 10 1HD1 ILE 10 -6.262 4.051 -1.126 85 2HD1 ILE 10 2HD1 ILE 10 -4.805 4.834 -1.738 86 3HD1 ILE 10 3HD1 ILE 10 -5.857 3.944 -2.839 87 H GLY 11 H GLY 11 -3.798 1.570 2.642 88 1HA GLY 11 1HA GLY 11 -1.380 3.111 2.560 89 2HA GLY 11 2HA GLY 11 -2.057 2.366 4.012 90 H VAL 12 H VAL 12 -2.015 -0.276 2.474 91 HA VAL 12 HA VAL 12 0.724 -1.020 3.284 92 HB VAL 12 HB VAL 12 -1.684 -2.608 2.361 93 1HG1 VAL 12 1HG1 VAL 12 1.067 -3.318 2.156 94 2HG1 VAL 12 2HG1 VAL 12 0.379 -4.247 3.487 95 3HG1 VAL 12 3HG1 VAL 12 -0.341 -4.344 1.880 96 1HG2 VAL 12 1HG2 VAL 12 -1.487 -1.586 4.723 97 2HG2 VAL 12 2HG2 VAL 12 -1.827 -3.314 4.622 98 3HG2 VAL 12 3HG2 VAL 12 -0.194 -2.756 4.984 99 H SER 13 H SER 13 -1.200 -0.580 0.386 100 HA SER 13 HA SER 13 0.973 -1.683 -1.305 101 1HB SER 13 1HB SER 13 -1.310 -2.308 -1.916 102 2HB SER 13 2HB SER 13 -1.780 -0.612 -1.998 103 HG SER 13 HG SER 13 -1.236 -0.917 -4.029 104 H TYR 14 H TYR 14 0.314 1.201 0.171 105 HA TYR 14 HA TYR 14 1.245 2.862 -2.112 106 1HB TYR 14 1HB TYR 14 -0.698 3.381 -0.305 107 2HB TYR 14 2HB TYR 14 0.678 4.103 0.527 108 HD1 TYR 14 HD1 TYR 14 -0.146 3.815 -3.118 109 HD2 TYR 14 HD2 TYR 14 0.576 6.421 0.219 110 HE1 TYR 14 HE1 TYR 14 -0.259 5.778 -4.627 111 HE2 TYR 14 HE2 TYR 14 0.464 8.386 -1.291 112 HH TYR 14 HH TYR 14 -0.359 8.016 -4.727 113 H ASP 15 H ASP 15 2.383 1.338 0.745 114 HA ASP 15 HA ASP 15 4.714 3.164 0.958 115 1HB ASP 15 1HB ASP 15 3.399 2.178 2.972 116 2HB ASP 15 2HB ASP 15 4.271 0.686 2.619 117 H GLU 16 H GLU 16 4.138 -0.369 0.632 118 HA GLU 16 HA GLU 16 6.787 -1.130 0.072 119 1HB GLU 16 1HB GLU 16 4.279 -2.375 0.002 120 2HB GLU 16 2HB GLU 16 4.898 -2.537 -1.642 121 1HG GLU 16 1HG GLU 16 7.135 -3.114 -0.180 122 2HG GLU 16 2HG GLU 16 5.869 -3.764 0.862 123 H TYR 17 H TYR 17 4.299 0.133 -2.126 124 HA TYR 17 HA TYR 17 5.769 -0.121 -4.551 125 1HB TYR 17 1HB TYR 17 3.844 0.756 -5.351 126 2HB TYR 17 2HB TYR 17 3.308 1.023 -3.698 127 HD1 TYR 17 HD1 TYR 17 5.532 2.567 -6.296 128 HD2 TYR 17 HD2 TYR 17 2.851 3.207 -3.002 129 HE1 TYR 17 HE1 TYR 17 5.680 5.017 -6.653 130 HE2 TYR 17 HE2 TYR 17 2.997 5.658 -3.360 131 HH TYR 17 HH TYR 17 5.025 7.017 -5.963 132 H ARG 18 H ARG 18 5.421 2.700 -2.405 133 HA ARG 18 HA ARG 18 7.464 4.257 -3.700 134 1HB ARG 18 1HB ARG 18 5.553 4.786 -1.820 135 2HB ARG 18 2HB ARG 18 6.999 4.725 -0.815 136 1HG ARG 18 1HG ARG 18 8.075 6.267 -2.579 137 2HG ARG 18 2HG ARG 18 6.431 6.539 -3.157 138 1HD ARG 18 1HD ARG 18 7.153 6.869 -0.245 139 2HD ARG 18 2HD ARG 18 7.338 8.190 -1.398 140 HE ARG 18 HE ARG 18 4.752 7.417 -1.836 141 1HH1 ARG 18 1HH1 ARG 18 5.815 6.730 1.205 142 2HH1 ARG 18 2HH1 ARG 18 4.809 7.869 2.037 143 1HH2 ARG 18 1HH2 ARG 18 3.777 9.477 -0.855 144 2HH2 ARG 18 2HH2 ARG 18 3.655 9.422 0.872 145 H TYR 19 H TYR 19 7.699 1.463 -1.849 146 HA TYR 19 HA TYR 19 10.384 2.181 -0.799 147 1HB TYR 19 1HB TYR 19 8.204 0.324 -0.003 148 2HB TYR 19 2HB TYR 19 9.850 -0.224 0.274 149 HD1 TYR 19 HD1 TYR 19 8.557 3.269 0.332 150 HD2 TYR 19 HD2 TYR 19 10.084 -0.028 2.621 151 HE1 TYR 19 HE1 TYR 19 8.704 4.725 2.337 152 HE2 TYR 19 HE2 TYR 19 10.230 1.425 4.626 153 HH TYR 19 HH TYR 19 9.956 3.470 5.434 154 H ARG 20 H ARG 20 8.757 0.354 -3.223 155 HA ARG 20 HA ARG 20 10.767 -1.717 -3.537 156 1HB ARG 20 1HB ARG 20 8.300 -0.860 -4.919 157 2HB ARG 20 2HB ARG 20 9.514 -1.598 -5.964 158 1HG ARG 20 1HG ARG 20 8.982 -2.945 -3.361 159 2HG ARG 20 2HG ARG 20 7.726 -3.065 -4.594 160 1HD ARG 20 1HD ARG 20 9.826 -3.622 -6.148 161 2HD ARG 20 2HD ARG 20 10.510 -4.149 -4.611 162 HE ARG 20 HE ARG 20 7.971 -5.310 -4.713 163 1HH1 ARG 20 1HH1 ARG 20 10.671 -5.151 -6.849 164 2HH1 ARG 20 2HH1 ARG 20 10.520 -6.794 -7.376 165 1HH2 ARG 20 1HH2 ARG 20 7.835 -7.497 -5.298 166 2HH2 ARG 20 2HH2 ARG 20 8.915 -8.121 -6.500 167 H SER 21 H SER 21 10.484 1.580 -4.601 168 HA SER 21 HA SER 21 12.708 1.132 -6.534 169 1HB SER 21 1HB SER 21 10.555 2.279 -7.295 170 2HB SER 21 2HB SER 21 11.034 3.632 -6.276 171 HG SER 21 HG SER 21 11.873 2.992 -8.729 172 H VAL 22 H VAL 22 12.870 1.422 -3.533 173 HA VAL 22 HA VAL 22 14.983 3.471 -3.540 174 HB VAL 22 HB VAL 22 13.355 4.852 -2.718 175 1HG1 VAL 22 1HG1 VAL 22 12.005 2.309 -2.050 176 2HG1 VAL 22 2HG1 VAL 22 11.574 3.703 -1.059 177 3HG1 VAL 22 3HG1 VAL 22 11.365 3.765 -2.809 178 1HG2 VAL 22 1HG2 VAL 22 14.086 3.258 -0.246 179 2HG2 VAL 22 2HG2 VAL 22 14.996 4.621 -0.901 180 3HG2 VAL 22 3HG2 VAL 22 13.383 4.875 -0.235 181 H ILE 23 H ILE 23 13.247 1.065 -1.520 182 HA ILE 23 HA ILE 23 15.834 0.441 -0.187 183 HB ILE 23 HB ILE 23 12.981 -0.338 0.487 184 1HG1 ILE 23 1HG1 ILE 23 14.281 1.049 2.583 185 2HG1 ILE 23 2HG1 ILE 23 14.646 1.941 1.105 186 1HG2 ILE 23 1HG2 ILE 23 14.668 -2.091 1.074 187 2HG2 ILE 23 2HG2 ILE 23 15.535 -0.887 2.027 188 3HG2 ILE 23 3HG2 ILE 23 13.903 -1.370 2.491 189 1HD1 ILE 23 1HD1 ILE 23 11.846 1.031 1.334 190 2HD1 ILE 23 2HD1 ILE 23 12.331 2.231 2.532 191 3HD1 ILE 23 3HD1 ILE 23 12.484 2.589 0.811 192 H LYS 24 H LYS 24 13.042 -1.316 -1.595 193 HA LYS 24 HA LYS 24 14.665 -3.742 -1.883 194 1HB LYS 24 1HB LYS 24 11.817 -2.981 -2.300 195 2HB LYS 24 2HB LYS 24 12.433 -4.304 -3.293 196 1HG LYS 24 1HG LYS 24 13.455 -5.029 -0.899 197 2HG LYS 24 2HG LYS 24 12.009 -4.182 -0.354 198 1HD LYS 24 1HD LYS 24 10.799 -5.586 -2.200 199 2HD LYS 24 2HD LYS 24 12.221 -6.625 -2.096 200 1HE LYS 24 1HE LYS 24 11.146 -5.882 0.541 201 2HE LYS 24 2HE LYS 24 10.016 -6.832 -0.445 202 1HZ LYS 24 1HZ LYS 24 12.090 -8.213 -1.009 203 2HZ LYS 24 2HZ LYS 24 12.768 -7.513 0.383 204 3HZ LYS 24 3HZ LYS 24 11.357 -8.452 0.502 205 H ALA 25 H ALA 25 16.244 -2.362 -3.265 206 HA ALA 25 HA ALA 25 15.305 -2.236 -6.097 207 1HB ALA 25 1HB ALA 25 17.010 -0.544 -4.476 208 2HB ALA 25 2HB ALA 25 17.876 -1.102 -5.907 209 3HB ALA 25 3HB ALA 25 16.348 -0.238 -6.082 Start of MODEL 6 1 1H MET 1 1H MET 1 -12.077 7.728 4.598 2 2H MET 1 2H MET 1 -11.687 8.012 2.969 3 3H MET 1 3H MET 1 -13.311 7.878 3.440 4 HA MET 1 HA MET 1 -13.044 5.773 2.646 5 1HB MET 1 1HB MET 1 -10.245 6.616 3.075 6 2HB MET 1 2HB MET 1 -10.513 4.878 3.218 7 1HG MET 1 1HG MET 1 -10.555 4.737 0.974 8 2HG MET 1 2HG MET 1 -12.005 5.740 0.969 9 1HE MET 1 1HE MET 1 -11.887 6.929 -0.994 10 2HE MET 1 2HE MET 1 -10.539 7.839 -1.673 11 3HE MET 1 3HE MET 1 -10.470 6.079 -1.626 12 HA PRO 2 HA PRO 2 -13.379 4.892 7.195 13 1HB PRO 2 1HB PRO 2 -16.066 4.379 7.182 14 2HB PRO 2 2HB PRO 2 -15.395 6.008 7.398 15 1HG PRO 2 1HG PRO 2 -16.571 4.752 4.973 16 2HG PRO 2 2HG PRO 2 -16.697 6.419 5.556 17 1HD PRO 2 1HD PRO 2 -15.035 5.625 3.529 18 2HD PRO 2 2HD PRO 2 -14.746 7.050 4.551 19 H GLY 3 H GLY 3 -13.646 3.283 4.287 20 1HA GLY 3 1HA GLY 3 -14.610 0.722 5.381 21 2HA GLY 3 2HA GLY 3 -14.112 1.014 3.713 22 H THR 4 H THR 4 -13.059 0.007 6.862 23 HA THR 4 HA THR 4 -10.236 0.206 6.511 24 HB THR 4 HB THR 4 -11.518 -0.383 8.650 25 HG1 THR 4 HG1 THR 4 -9.690 -1.154 9.384 26 1HG2 THR 4 1HG2 THR 4 -12.532 -2.423 7.164 27 2HG2 THR 4 2HG2 THR 4 -11.210 -3.250 7.989 28 3HG2 THR 4 3HG2 THR 4 -12.463 -2.437 8.927 29 H ILE 5 H ILE 5 -12.589 -2.054 5.248 30 HA ILE 5 HA ILE 5 -10.813 -4.185 4.560 31 HB ILE 5 HB ILE 5 -13.283 -3.310 3.034 32 1HG1 ILE 5 1HG1 ILE 5 -13.896 -5.430 4.778 33 2HG1 ILE 5 2HG1 ILE 5 -12.965 -4.289 5.749 34 1HG2 ILE 5 1HG2 ILE 5 -11.815 -5.044 1.979 35 2HG2 ILE 5 2HG2 ILE 5 -12.022 -6.041 3.419 36 3HG2 ILE 5 3HG2 ILE 5 -13.412 -5.660 2.404 37 1HD1 ILE 5 1HD1 ILE 5 -14.610 -2.588 4.383 38 2HD1 ILE 5 2HD1 ILE 5 -15.656 -3.996 4.563 39 3HD1 ILE 5 3HD1 ILE 5 -14.963 -3.224 5.990 40 H LYS 6 H LYS 6 -11.284 -1.031 3.204 41 HA LYS 6 HA LYS 6 -9.754 -1.800 0.763 42 1HB LYS 6 1HB LYS 6 -11.490 0.566 1.472 43 2HB LYS 6 2HB LYS 6 -10.365 0.636 0.115 44 1HG LYS 6 1HG LYS 6 -11.977 -1.820 0.166 45 2HG LYS 6 2HG LYS 6 -12.940 -0.354 -0.012 46 1HD LYS 6 1HD LYS 6 -11.481 0.359 -1.890 47 2HD LYS 6 2HD LYS 6 -10.572 -1.145 -1.735 48 1HE LYS 6 1HE LYS 6 -12.734 -2.403 -2.118 49 2HE LYS 6 2HE LYS 6 -13.496 -0.845 -2.498 50 1HZ LYS 6 1HZ LYS 6 -10.937 -1.564 -3.760 51 2HZ LYS 6 2HZ LYS 6 -12.380 -2.203 -4.389 52 3HZ LYS 6 3HZ LYS 6 -12.151 -0.520 -4.320 53 H GLU 7 H GLU 7 -9.732 0.469 3.504 54 HA GLU 7 HA GLU 7 -7.264 1.759 2.771 55 1HB GLU 7 1HB GLU 7 -8.715 1.468 5.413 56 2HB GLU 7 2HB GLU 7 -7.238 2.415 5.229 57 1HG GLU 7 1HG GLU 7 -9.035 3.133 3.118 58 2HG GLU 7 2HG GLU 7 -9.910 3.216 4.648 59 H ASN 8 H ASN 8 -7.937 -1.362 3.935 60 HA ASN 8 HA ASN 8 -5.346 -1.687 5.307 61 1HB ASN 8 1HB ASN 8 -7.332 -2.877 6.168 62 2HB ASN 8 2HB ASN 8 -7.498 -3.717 4.625 63 1HD2 ASN 8 2HD2 ASN 8 -6.715 -4.623 7.524 64 2HD2 ASN 8 1HD2 ASN 8 -5.330 -5.569 7.265 65 H ILE 9 H ILE 9 -6.964 -3.036 2.414 66 HA ILE 9 HA ILE 9 -4.578 -4.379 1.483 67 HB ILE 9 HB ILE 9 -6.946 -3.505 -0.192 68 1HG1 ILE 9 1HG1 ILE 9 -7.659 -4.700 1.893 69 2HG1 ILE 9 2HG1 ILE 9 -8.010 -5.614 0.426 70 1HG2 ILE 9 1HG2 ILE 9 -4.905 -4.414 -1.339 71 2HG2 ILE 9 2HG2 ILE 9 -5.101 -5.902 -0.413 72 3HG2 ILE 9 3HG2 ILE 9 -6.341 -5.412 -1.568 73 1HD1 ILE 9 1HD1 ILE 9 -5.354 -6.266 1.272 74 2HD1 ILE 9 2HD1 ILE 9 -6.431 -6.423 2.659 75 3HD1 ILE 9 3HD1 ILE 9 -6.762 -7.324 1.180 76 H ILE 10 H ILE 10 -5.696 -1.123 1.369 77 HA ILE 10 HA ILE 10 -4.357 -0.268 -1.023 78 HB ILE 10 HB ILE 10 -5.509 1.069 1.385 79 1HG1 ILE 10 1HG1 ILE 10 -6.897 0.493 -0.551 80 2HG1 ILE 10 2HG1 ILE 10 -6.741 2.237 -0.416 81 1HG2 ILE 10 1HG2 ILE 10 -3.472 2.265 -0.490 82 2HG2 ILE 10 2HG2 ILE 10 -4.756 3.270 0.181 83 3HG2 ILE 10 3HG2 ILE 10 -3.616 2.461 1.257 84 1HD1 ILE 10 1HD1 ILE 10 -4.557 1.501 -1.974 85 2HD1 ILE 10 2HD1 ILE 10 -5.871 0.486 -2.566 86 3HD1 ILE 10 3HD1 ILE 10 -6.047 2.240 -2.559 87 H GLY 11 H GLY 11 -3.409 0.115 2.416 88 1HA GLY 11 1HA GLY 11 -0.797 1.081 1.937 89 2HA GLY 11 2HA GLY 11 -1.268 0.183 3.382 90 H VAL 12 H VAL 12 -2.135 -2.072 1.478 91 HA VAL 12 HA VAL 12 0.490 -3.412 1.467 92 HB VAL 12 HB VAL 12 -2.301 -4.379 0.775 93 1HG1 VAL 12 1HG1 VAL 12 -0.361 -5.516 -0.450 94 2HG1 VAL 12 2HG1 VAL 12 0.184 -6.066 1.135 95 3HG1 VAL 12 3HG1 VAL 12 -1.390 -6.570 0.519 96 1HG2 VAL 12 1HG2 VAL 12 -0.857 -4.030 3.236 97 2HG2 VAL 12 2HG2 VAL 12 -2.483 -4.674 3.001 98 3HG2 VAL 12 3HG2 VAL 12 -1.089 -5.755 2.953 99 H SER 13 H SER 13 -1.633 -1.823 -0.765 100 HA SER 13 HA SER 13 0.029 -2.852 -3.032 101 1HB SER 13 1HB SER 13 -1.833 -2.947 -4.355 102 2HB SER 13 2HB SER 13 -2.667 -3.077 -2.809 103 HG SER 13 HG SER 13 -3.606 -1.418 -3.953 104 H TYR 14 H TYR 14 -0.269 -0.249 -1.056 105 HA TYR 14 HA TYR 14 0.532 1.629 -3.242 106 1HB TYR 14 1HB TYR 14 -1.592 1.868 -1.302 107 2HB TYR 14 2HB TYR 14 -0.404 3.145 -1.046 108 HD1 TYR 14 HD1 TYR 14 -2.662 1.587 -3.547 109 HD2 TYR 14 HD2 TYR 14 -0.102 4.914 -2.638 110 HE1 TYR 14 HE1 TYR 14 -3.536 2.799 -5.525 111 HE2 TYR 14 HE2 TYR 14 -0.976 6.126 -4.617 112 HH TYR 14 HH TYR 14 -3.733 5.006 -6.387 113 H ASP 15 H ASP 15 0.980 0.611 0.119 114 HA ASP 15 HA ASP 15 3.149 2.496 0.605 115 1HB ASP 15 1HB ASP 15 1.549 0.966 2.228 116 2HB ASP 15 2HB ASP 15 3.057 0.052 2.258 117 H GLU 16 H GLU 16 2.906 -0.922 -0.326 118 HA GLU 16 HA GLU 16 5.658 -1.593 -0.138 119 1HB GLU 16 1HB GLU 16 3.282 -2.766 -1.213 120 2HB GLU 16 2HB GLU 16 4.542 -2.865 -2.444 121 1HG GLU 16 1HG GLU 16 5.836 -3.509 -0.040 122 2HG GLU 16 2HG GLU 16 4.289 -4.353 0.037 123 H TYR 17 H TYR 17 3.826 -0.134 -2.834 124 HA TYR 17 HA TYR 17 6.031 -0.045 -4.658 125 1HB TYR 17 1HB TYR 17 4.365 0.688 -5.999 126 2HB TYR 17 2HB TYR 17 3.303 0.828 -4.604 127 HD1 TYR 17 HD1 TYR 17 6.054 2.650 -6.376 128 HD2 TYR 17 HD2 TYR 17 2.525 2.941 -3.948 129 HE1 TYR 17 HE1 TYR 17 6.109 5.119 -6.596 130 HE2 TYR 17 HE2 TYR 17 2.580 5.412 -4.164 131 HH TYR 17 HH TYR 17 3.683 7.162 -4.960 132 H ARG 18 H ARG 18 4.635 2.578 -2.665 133 HA ARG 18 HA ARG 18 6.698 4.466 -3.049 134 1HB ARG 18 1HB ARG 18 4.399 4.543 -1.681 135 2HB ARG 18 2HB ARG 18 5.479 4.212 -0.327 136 1HG ARG 18 1HG ARG 18 6.751 6.186 -0.722 137 2HG ARG 18 2HG ARG 18 6.029 6.419 -2.315 138 1HD ARG 18 1HD ARG 18 4.007 6.284 -0.221 139 2HD ARG 18 2HD ARG 18 5.161 7.585 0.066 140 HE ARG 18 HE ARG 18 4.615 8.122 -2.472 141 1HH1 ARG 18 1HH1 ARG 18 2.315 6.119 -2.321 142 2HH1 ARG 18 2HH1 ARG 18 0.979 7.174 -1.994 143 1HH2 ARG 18 1HH2 ARG 18 2.977 9.846 -1.053 144 2HH2 ARG 18 2HH2 ARG 18 1.355 9.285 -1.277 145 H TYR 19 H TYR 19 6.664 1.501 -1.297 146 HA TYR 19 HA TYR 19 9.046 2.170 0.298 147 1HB TYR 19 1HB TYR 19 7.039 -0.037 0.157 148 2HB TYR 19 2HB TYR 19 8.625 -0.410 0.814 149 HD1 TYR 19 HD1 TYR 19 7.151 2.953 1.050 150 HD2 TYR 19 HD2 TYR 19 7.811 -0.769 3.091 151 HE1 TYR 19 HE1 TYR 19 6.503 4.015 3.198 152 HE2 TYR 19 HE2 TYR 19 7.163 0.292 5.239 153 HH TYR 19 HH TYR 19 6.823 2.306 6.264 154 H ARG 20 H ARG 20 8.281 0.899 -2.771 155 HA ARG 20 HA ARG 20 10.480 -0.980 -3.014 156 1HB ARG 20 1HB ARG 20 8.620 -1.283 -4.490 157 2HB ARG 20 2HB ARG 20 8.694 0.392 -5.036 158 1HG ARG 20 1HG ARG 20 10.502 0.010 -6.417 159 2HG ARG 20 2HG ARG 20 11.140 -1.282 -5.400 160 1HD ARG 20 1HD ARG 20 9.958 -2.883 -6.492 161 2HD ARG 20 2HD ARG 20 8.508 -1.884 -6.571 162 HE ARG 20 HE ARG 20 9.136 -1.518 -8.805 163 1HH1 ARG 20 1HH1 ARG 20 11.771 -3.109 -7.729 164 2HH1 ARG 20 2HH1 ARG 20 12.959 -2.156 -8.555 165 1HH2 ARG 20 1HH2 ARG 20 10.719 0.329 -9.467 166 2HH2 ARG 20 2HH2 ARG 20 12.364 -0.210 -9.537 167 H SER 21 H SER 21 10.045 2.462 -3.741 168 HA SER 21 HA SER 21 12.741 2.589 -4.924 169 1HB SER 21 1HB SER 21 10.947 3.926 -5.950 170 2HB SER 21 2HB SER 21 10.697 4.767 -4.423 171 HG SER 21 HG SER 21 12.672 5.708 -4.620 172 H VAL 22 H VAL 22 12.128 2.039 -1.987 173 HA VAL 22 HA VAL 22 14.158 3.881 -0.933 174 HB VAL 22 HB VAL 22 12.352 5.157 -0.299 175 1HG1 VAL 22 1HG1 VAL 22 10.809 2.575 -0.141 176 2HG1 VAL 22 2HG1 VAL 22 10.144 4.118 0.388 177 3HG1 VAL 22 3HG1 VAL 22 10.604 3.888 -1.299 178 1HG2 VAL 22 1HG2 VAL 22 13.525 3.759 1.731 179 2HG2 VAL 22 2HG2 VAL 22 12.348 5.048 1.983 180 3HG2 VAL 22 3HG2 VAL 22 11.826 3.364 1.988 181 H ILE 23 H ILE 23 11.958 1.142 -0.267 182 HA ILE 23 HA ILE 23 13.849 0.117 1.765 183 HB ILE 23 HB ILE 23 11.346 -1.289 0.864 184 1HG1 ILE 23 1HG1 ILE 23 10.939 1.213 1.284 185 2HG1 ILE 23 2HG1 ILE 23 9.985 0.094 2.249 186 1HG2 ILE 23 1HG2 ILE 23 12.847 -1.022 3.485 187 2HG2 ILE 23 2HG2 ILE 23 11.321 -1.886 3.302 188 3HG2 ILE 23 3HG2 ILE 23 12.762 -2.453 2.458 189 1HD1 ILE 23 1HD1 ILE 23 12.626 1.123 3.266 190 2HD1 ILE 23 2HD1 ILE 23 11.155 2.074 3.464 191 3HD1 ILE 23 3HD1 ILE 23 11.270 0.469 4.185 192 H LYS 24 H LYS 24 12.107 -1.379 -0.991 193 HA LYS 24 HA LYS 24 12.834 -3.000 -2.525 194 1HB LYS 24 1HB LYS 24 14.605 -1.142 -2.842 195 2HB LYS 24 2HB LYS 24 15.659 -2.164 -1.864 196 1HG LYS 24 1HG LYS 24 14.463 -3.880 -3.759 197 2HG LYS 24 2HG LYS 24 14.950 -2.439 -4.652 198 1HD LYS 24 1HD LYS 24 17.082 -2.972 -2.899 199 2HD LYS 24 2HD LYS 24 16.607 -4.545 -3.544 200 1HE LYS 24 1HE LYS 24 16.577 -2.607 -5.681 201 2HE LYS 24 2HE LYS 24 18.150 -2.564 -4.860 202 1HZ LYS 24 1HZ LYS 24 16.869 -5.156 -5.393 203 2HZ LYS 24 2HZ LYS 24 17.688 -4.372 -6.658 204 3HZ LYS 24 3HZ LYS 24 18.519 -4.784 -5.239 205 H ALA 25 H ALA 25 12.439 -3.760 0.225 206 HA ALA 25 HA ALA 25 14.434 -5.241 1.472 207 1HB ALA 25 1HB ALA 25 11.496 -5.385 1.333 208 2HB ALA 25 2HB ALA 25 12.268 -6.920 1.733 209 3HB ALA 25 3HB ALA 25 12.562 -5.498 2.734 Start of MODEL 7 1 1H MET 1 1H MET 1 -18.598 0.637 1.929 2 2H MET 1 2H MET 1 -18.680 2.266 1.456 3 3H MET 1 3H MET 1 -17.676 1.190 0.615 4 HA MET 1 HA MET 1 -16.012 1.331 2.117 5 1HB MET 1 1HB MET 1 -16.433 3.615 1.507 6 2HB MET 1 2HB MET 1 -17.811 3.718 2.604 7 1HG MET 1 1HG MET 1 -16.412 3.646 4.533 8 2HG MET 1 2HG MET 1 -15.011 3.145 3.586 9 1HE MET 1 1HE MET 1 -16.903 5.484 5.241 10 2HE MET 1 2HE MET 1 -16.246 7.089 4.927 11 3HE MET 1 3HE MET 1 -17.565 6.459 3.930 12 HA PRO 2 HA PRO 2 -18.050 -0.472 5.779 13 1HB PRO 2 1HB PRO 2 -16.126 -2.369 6.198 14 2HB PRO 2 2HB PRO 2 -17.467 -2.589 5.057 15 1HG PRO 2 1HG PRO 2 -14.634 -1.860 4.529 16 2HG PRO 2 2HG PRO 2 -15.730 -2.889 3.593 17 1HD PRO 2 1HD PRO 2 -15.120 -0.300 2.933 18 2HD PRO 2 2HD PRO 2 -16.621 -1.123 2.458 19 H GLY 3 H GLY 3 -15.330 1.366 5.228 20 1HA GLY 3 1HA GLY 3 -14.850 2.771 7.360 21 2HA GLY 3 2HA GLY 3 -14.423 1.214 8.069 22 H THR 4 H THR 4 -12.326 0.578 7.872 23 HA THR 4 HA THR 4 -10.631 2.056 5.900 24 HB THR 4 HB THR 4 -10.095 2.372 8.340 25 HG1 THR 4 HG1 THR 4 -8.537 2.198 6.435 26 1HG2 THR 4 1HG2 THR 4 -10.324 -0.502 8.268 27 2HG2 THR 4 2HG2 THR 4 -8.717 -0.044 8.834 28 3HG2 THR 4 3HG2 THR 4 -10.150 0.559 9.666 29 H ILE 5 H ILE 5 -11.928 -0.995 6.680 30 HA ILE 5 HA ILE 5 -9.923 -2.819 5.949 31 HB ILE 5 HB ILE 5 -12.803 -3.064 5.051 32 1HG1 ILE 5 1HG1 ILE 5 -12.575 -4.335 7.511 33 2HG1 ILE 5 2HG1 ILE 5 -11.679 -2.833 7.748 34 1HG2 ILE 5 1HG2 ILE 5 -10.478 -4.871 5.430 35 2HG2 ILE 5 2HG2 ILE 5 -12.033 -5.488 5.991 36 3HG2 ILE 5 3HG2 ILE 5 -11.833 -4.999 4.308 37 1HD1 ILE 5 1HD1 ILE 5 -14.175 -2.425 6.276 38 2HD1 ILE 5 2HD1 ILE 5 -14.441 -3.108 7.879 39 3HD1 ILE 5 3HD1 ILE 5 -13.566 -1.586 7.704 40 H LYS 6 H LYS 6 -11.568 -0.491 3.984 41 HA LYS 6 HA LYS 6 -10.727 -1.824 1.476 42 1HB LYS 6 1HB LYS 6 -12.963 -0.451 1.981 43 2HB LYS 6 2HB LYS 6 -11.942 0.905 1.499 44 1HG LYS 6 1HG LYS 6 -11.376 -0.286 -0.602 45 2HG LYS 6 2HG LYS 6 -12.448 -1.605 -0.128 46 1HD LYS 6 1HD LYS 6 -13.678 -0.148 -1.619 47 2HD LYS 6 2HD LYS 6 -14.325 0.069 0.008 48 1HE LYS 6 1HE LYS 6 -13.352 2.185 0.257 49 2HE LYS 6 2HE LYS 6 -12.100 1.857 -0.957 50 1HZ LYS 6 1HZ LYS 6 -14.097 1.560 -2.531 51 2HZ LYS 6 2HZ LYS 6 -14.962 2.444 -1.366 52 3HZ LYS 6 3HZ LYS 6 -13.613 3.136 -2.131 53 H GLU 7 H GLU 7 -10.391 1.469 2.858 54 HA GLU 7 HA GLU 7 -8.299 2.291 1.126 55 1HB GLU 7 1HB GLU 7 -9.626 3.800 2.630 56 2HB GLU 7 2HB GLU 7 -8.713 3.166 3.999 57 1HG GLU 7 1HG GLU 7 -6.814 4.303 3.434 58 2HG GLU 7 2HG GLU 7 -7.093 4.109 1.702 59 H ASN 8 H ASN 8 -8.246 0.238 3.947 60 HA ASN 8 HA ASN 8 -5.489 0.499 4.640 61 1HB ASN 8 1HB ASN 8 -7.384 -0.763 5.883 62 2HB ASN 8 2HB ASN 8 -6.991 -2.110 4.814 63 1HD2 ASN 8 2HD2 ASN 8 -5.403 0.171 7.108 64 2HD2 ASN 8 1HD2 ASN 8 -4.210 -0.930 7.607 65 H ILE 9 H ILE 9 -7.124 -1.731 2.377 66 HA ILE 9 HA ILE 9 -4.683 -3.047 1.572 67 HB ILE 9 HB ILE 9 -7.194 -2.799 -0.096 68 1HG1 ILE 9 1HG1 ILE 9 -7.909 -3.417 2.144 69 2HG1 ILE 9 2HG1 ILE 9 -7.947 -4.861 1.131 70 1HG2 ILE 9 1HG2 ILE 9 -4.827 -4.002 -0.662 71 2HG2 ILE 9 2HG2 ILE 9 -5.652 -5.320 0.171 72 3HG2 ILE 9 3HG2 ILE 9 -6.378 -4.590 -1.261 73 1HD1 ILE 9 1HD1 ILE 9 -5.338 -4.788 2.137 74 2HD1 ILE 9 2HD1 ILE 9 -6.350 -4.322 3.504 75 3HD1 ILE 9 3HD1 ILE 9 -6.637 -5.853 2.676 76 H ILE 10 H ILE 10 -6.663 -0.485 0.047 77 HA ILE 10 HA ILE 10 -5.200 -0.041 -2.276 78 HB ILE 10 HB ILE 10 -6.315 2.095 -0.429 79 1HG1 ILE 10 1HG1 ILE 10 -7.574 0.601 -2.754 80 2HG1 ILE 10 2HG1 ILE 10 -7.972 0.364 -1.052 81 1HG2 ILE 10 1HG2 ILE 10 -4.732 2.838 -2.272 82 2HG2 ILE 10 2HG2 ILE 10 -5.895 2.186 -3.427 83 3HG2 ILE 10 3HG2 ILE 10 -6.357 3.517 -2.365 84 1HD1 ILE 10 1HD1 ILE 10 -8.100 3.154 -2.090 85 2HD1 ILE 10 2HD1 ILE 10 -9.363 2.044 -2.621 86 3HD1 ILE 10 3HD1 ILE 10 -9.123 2.349 -0.901 87 H GLY 11 H GLY 11 -4.275 0.637 1.023 88 1HA GLY 11 1HA GLY 11 -1.942 2.238 0.200 89 2HA GLY 11 2HA GLY 11 -2.375 1.817 1.857 90 H VAL 12 H VAL 12 -2.722 -1.061 1.057 91 HA VAL 12 HA VAL 12 -0.121 -2.000 1.737 92 HB VAL 12 HB VAL 12 -2.436 -3.402 0.370 93 1HG1 VAL 12 1HG1 VAL 12 -0.206 -4.481 -0.063 94 2HG1 VAL 12 2HG1 VAL 12 0.007 -4.629 1.682 95 3HG1 VAL 12 3HG1 VAL 12 -1.307 -5.489 0.878 96 1HG2 VAL 12 1HG2 VAL 12 -2.749 -2.510 2.715 97 2HG2 VAL 12 2HG2 VAL 12 -2.913 -4.261 2.581 98 3HG2 VAL 12 3HG2 VAL 12 -1.428 -3.562 3.226 99 H SER 13 H SER 13 -1.761 -1.834 -1.434 100 HA SER 13 HA SER 13 0.607 -2.776 -2.854 101 1HB SER 13 1HB SER 13 -1.843 -2.990 -3.618 102 2HB SER 13 2HB SER 13 -1.727 -1.292 -4.075 103 HG SER 13 HG SER 13 0.351 -2.172 -5.135 104 H TYR 14 H TYR 14 -0.471 0.230 -1.608 105 HA TYR 14 HA TYR 14 1.092 1.853 -3.502 106 1HB TYR 14 1HB TYR 14 -0.930 2.329 -1.454 107 2HB TYR 14 2HB TYR 14 0.421 3.455 -1.311 108 HD1 TYR 14 HD1 TYR 14 1.328 3.828 -4.042 109 HD2 TYR 14 HD2 TYR 14 -2.678 3.453 -2.539 110 HE1 TYR 14 HE1 TYR 14 0.477 5.101 -5.993 111 HE2 TYR 14 HE2 TYR 14 -3.529 4.726 -4.490 112 HH TYR 14 HH TYR 14 -2.299 6.583 -6.150 113 H ASP 15 H ASP 15 1.501 0.321 -0.408 114 HA ASP 15 HA ASP 15 3.770 1.947 0.424 115 1HB ASP 15 1HB ASP 15 2.549 -0.640 1.370 116 2HB ASP 15 2HB ASP 15 4.102 -0.096 2.004 117 H GLU 16 H GLU 16 3.501 -1.449 -0.730 118 HA GLU 16 HA GLU 16 6.183 -2.114 -0.926 119 1HB GLU 16 1HB GLU 16 3.759 -3.052 -2.072 120 2HB GLU 16 2HB GLU 16 4.910 -2.879 -3.395 121 1HG GLU 16 1HG GLU 16 6.502 -4.016 -1.500 122 2HG GLU 16 2HG GLU 16 4.946 -4.745 -1.099 123 H TYR 17 H TYR 17 4.347 0.089 -2.955 124 HA TYR 17 HA TYR 17 6.338 0.425 -5.007 125 1HB TYR 17 1HB TYR 17 4.305 1.310 -5.682 126 2HB TYR 17 2HB TYR 17 3.920 1.925 -4.076 127 HD1 TYR 17 HD1 TYR 17 6.738 2.395 -6.514 128 HD2 TYR 17 HD2 TYR 17 3.803 4.234 -3.980 129 HE1 TYR 17 HE1 TYR 17 7.574 4.638 -7.178 130 HE2 TYR 17 HE2 TYR 17 4.638 6.480 -4.637 131 HH TYR 17 HH TYR 17 6.963 7.383 -5.528 132 H ARG 18 H ARG 18 5.582 2.280 -2.051 133 HA ARG 18 HA ARG 18 7.881 4.034 -2.333 134 1HB ARG 18 1HB ARG 18 5.606 4.212 -0.900 135 2HB ARG 18 2HB ARG 18 6.669 3.562 0.348 136 1HG ARG 18 1HG ARG 18 8.148 5.401 0.209 137 2HG ARG 18 2HG ARG 18 7.506 5.908 -1.354 138 1HD ARG 18 1HD ARG 18 5.371 6.515 -0.303 139 2HD ARG 18 2HD ARG 18 5.972 5.968 1.261 140 HE ARG 18 HE ARG 18 7.699 7.979 0.078 141 1HH1 ARG 18 1HH1 ARG 18 7.288 7.902 2.973 142 2HH1 ARG 18 2HH1 ARG 18 6.194 9.214 3.259 143 1HH2 ARG 18 1HH2 ARG 18 5.204 9.461 -0.054 144 2HH2 ARG 18 2HH2 ARG 18 5.014 10.096 1.546 145 H TYR 19 H TYR 19 7.786 0.822 -1.810 146 HA TYR 19 HA TYR 19 10.103 0.814 0.043 147 1HB TYR 19 1HB TYR 19 7.781 -1.033 -0.451 148 2HB TYR 19 2HB TYR 19 9.254 -1.626 0.291 149 HD1 TYR 19 HD1 TYR 19 7.118 1.452 0.576 150 HD2 TYR 19 HD2 TYR 19 9.191 -1.710 2.607 151 HE1 TYR 19 HE1 TYR 19 6.397 2.383 2.760 152 HE2 TYR 19 HE2 TYR 19 8.471 -0.782 4.794 153 HH TYR 19 HH TYR 19 7.340 2.270 5.205 154 H ARG 20 H ARG 20 9.124 0.440 -3.149 155 HA ARG 20 HA ARG 20 11.015 -1.746 -3.779 156 1HB ARG 20 1HB ARG 20 8.567 -1.160 -4.778 157 2HB ARG 20 2HB ARG 20 9.583 -0.326 -5.953 158 1HG ARG 20 1HG ARG 20 9.250 -2.579 -6.746 159 2HG ARG 20 2HG ARG 20 10.918 -2.453 -6.184 160 1HD ARG 20 1HD ARG 20 9.713 -3.210 -3.879 161 2HD ARG 20 2HD ARG 20 8.648 -3.994 -5.046 162 HE ARG 20 HE ARG 20 11.176 -4.682 -5.924 163 1HH1 ARG 20 1HH1 ARG 20 8.964 -5.485 -3.491 164 2HH1 ARG 20 2HH1 ARG 20 10.008 -6.608 -2.684 165 1HH2 ARG 20 1HH2 ARG 20 12.769 -5.854 -4.644 166 2HH2 ARG 20 2HH2 ARG 20 12.163 -6.816 -3.337 167 H SER 21 H SER 21 10.378 1.400 -5.397 168 HA SER 21 HA SER 21 13.168 1.463 -6.290 169 1HB SER 21 1HB SER 21 11.241 2.178 -7.739 170 2HB SER 21 2HB SER 21 11.030 3.565 -6.675 171 HG SER 21 HG SER 21 12.832 3.153 -8.655 172 H VAL 22 H VAL 22 12.303 1.905 -3.387 173 HA VAL 22 HA VAL 22 13.925 4.357 -2.991 174 HB VAL 22 HB VAL 22 11.942 5.298 -2.423 175 1HG1 VAL 22 1HG1 VAL 22 10.693 3.350 -3.303 176 2HG1 VAL 22 2HG1 VAL 22 10.825 2.584 -1.720 177 3HG1 VAL 22 3HG1 VAL 22 9.910 4.080 -1.902 178 1HG2 VAL 22 1HG2 VAL 22 13.250 4.644 -0.201 179 2HG2 VAL 22 2HG2 VAL 22 11.656 5.394 -0.117 180 3HG2 VAL 22 3HG2 VAL 22 11.820 3.649 0.071 181 H ILE 23 H ILE 23 12.369 1.782 -1.031 182 HA ILE 23 HA ILE 23 14.797 1.634 0.638 183 HB ILE 23 HB ILE 23 12.114 0.234 0.758 184 1HG1 ILE 23 1HG1 ILE 23 12.969 1.726 3.090 185 2HG1 ILE 23 2HG1 ILE 23 13.034 2.745 1.652 186 1HG2 ILE 23 1HG2 ILE 23 14.661 -0.190 2.305 187 2HG2 ILE 23 2HG2 ILE 23 13.101 -0.451 3.085 188 3HG2 ILE 23 3HG2 ILE 23 13.543 -1.393 1.661 189 1HD1 ILE 23 1HD1 ILE 23 10.627 1.034 1.888 190 2HD1 ILE 23 2HD1 ILE 23 10.762 2.323 3.084 191 3HD1 ILE 23 3HD1 ILE 23 10.771 2.712 1.364 192 H LYS 24 H LYS 24 13.116 -0.252 -1.820 193 HA LYS 24 HA LYS 24 13.691 -2.303 -2.832 194 1HB LYS 24 1HB LYS 24 15.566 -0.455 -3.379 195 2HB LYS 24 2HB LYS 24 16.575 -1.619 -2.521 196 1HG LYS 24 1HG LYS 24 14.697 -2.515 -4.703 197 2HG LYS 24 2HG LYS 24 16.309 -1.908 -5.085 198 1HD LYS 24 1HD LYS 24 16.968 -3.625 -3.124 199 2HD LYS 24 2HD LYS 24 15.509 -4.424 -3.712 200 1HE LYS 24 1HE LYS 24 16.489 -5.022 -5.691 201 2HE LYS 24 2HE LYS 24 17.364 -3.484 -5.828 202 1HZ LYS 24 1HZ LYS 24 18.028 -5.472 -3.740 203 2HZ LYS 24 2HZ LYS 24 18.738 -5.539 -5.282 204 3HZ LYS 24 3HZ LYS 24 18.969 -4.175 -4.296 205 H ALA 25 H ALA 25 13.077 -3.060 -0.422 206 HA ALA 25 HA ALA 25 14.640 -5.317 0.188 207 1HB ALA 25 1HB ALA 25 15.637 -2.805 1.373 208 2HB ALA 25 2HB ALA 25 15.410 -4.115 2.532 209 3HB ALA 25 3HB ALA 25 16.466 -4.343 1.137 Start of MODEL 8 1 1H MET 1 1H MET 1 -15.023 1.509 11.669 2 2H MET 1 2H MET 1 -13.336 1.444 11.487 3 3H MET 1 3H MET 1 -14.108 2.938 11.702 4 HA MET 1 HA MET 1 -15.180 2.769 9.559 5 1HB MET 1 1HB MET 1 -12.274 2.614 10.069 6 2HB MET 1 2HB MET 1 -12.735 2.317 8.391 7 1HG MET 1 1HG MET 1 -14.139 4.426 8.514 8 2HG MET 1 2HG MET 1 -13.381 4.752 10.072 9 1HE MET 1 1HE MET 1 -13.590 4.838 6.661 10 2HE MET 1 2HE MET 1 -12.319 5.953 6.141 11 3HE MET 1 3HE MET 1 -12.077 4.213 6.010 12 HA PRO 2 HA PRO 2 -15.256 -1.792 8.891 13 1HB PRO 2 1HB PRO 2 -17.972 -2.046 8.756 14 2HB PRO 2 2HB PRO 2 -17.076 -2.091 10.287 15 1HG PRO 2 1HG PRO 2 -18.717 0.074 9.125 16 2HG PRO 2 2HG PRO 2 -18.414 -0.334 10.819 17 1HD PRO 2 1HD PRO 2 -17.205 1.736 9.383 18 2HD PRO 2 2HD PRO 2 -16.659 1.083 10.940 19 H GLY 3 H GLY 3 -15.776 0.940 7.152 20 1HA GLY 3 1HA GLY 3 -16.674 -0.584 4.736 21 2HA GLY 3 2HA GLY 3 -17.070 1.115 4.994 22 H THR 4 H THR 4 -14.057 -0.823 5.168 23 HA THR 4 HA THR 4 -12.882 0.907 3.076 24 HB THR 4 HB THR 4 -12.437 2.012 5.299 25 HG1 THR 4 HG1 THR 4 -10.289 0.942 3.798 26 1HG2 THR 4 1HG2 THR 4 -12.134 -0.455 6.291 27 2HG2 THR 4 2HG2 THR 4 -10.446 -0.122 5.901 28 3HG2 THR 4 3HG2 THR 4 -11.323 0.941 7.002 29 H ILE 5 H ILE 5 -13.511 -1.716 2.704 30 HA ILE 5 HA ILE 5 -11.327 -3.500 3.419 31 HB ILE 5 HB ILE 5 -13.501 -3.772 1.317 32 1HG1 ILE 5 1HG1 ILE 5 -14.504 -3.626 3.496 33 2HG1 ILE 5 2HG1 ILE 5 -14.451 -5.341 3.087 34 1HG2 ILE 5 1HG2 ILE 5 -11.518 -5.749 2.475 35 2HG2 ILE 5 2HG2 ILE 5 -12.944 -6.225 1.553 36 3HG2 ILE 5 3HG2 ILE 5 -11.679 -5.264 0.787 37 1HD1 ILE 5 1HD1 ILE 5 -12.129 -5.289 4.298 38 2HD1 ILE 5 2HD1 ILE 5 -12.746 -3.809 5.033 39 3HD1 ILE 5 3HD1 ILE 5 -13.602 -5.334 5.268 40 H LYS 6 H LYS 6 -12.062 -1.362 0.749 41 HA LYS 6 HA LYS 6 -9.653 -2.354 -0.706 42 1HB LYS 6 1HB LYS 6 -11.865 -0.524 -1.690 43 2HB LYS 6 2HB LYS 6 -10.565 -1.211 -2.664 44 1HG LYS 6 1HG LYS 6 -11.471 -3.505 -1.776 45 2HG LYS 6 2HG LYS 6 -12.941 -2.589 -1.444 46 1HD LYS 6 1HD LYS 6 -13.514 -2.769 -3.611 47 2HD LYS 6 2HD LYS 6 -12.074 -1.847 -4.046 48 1HE LYS 6 1HE LYS 6 -10.741 -3.880 -4.182 49 2HE LYS 6 2HE LYS 6 -12.102 -4.851 -3.583 50 1HZ LYS 6 1HZ LYS 6 -13.423 -4.028 -5.469 51 2HZ LYS 6 2HZ LYS 6 -12.051 -3.228 -6.074 52 3HZ LYS 6 3HZ LYS 6 -12.076 -4.924 -5.979 53 H GLU 7 H GLU 7 -11.181 0.539 0.657 54 HA GLU 7 HA GLU 7 -9.174 2.401 -0.206 55 1HB GLU 7 1HB GLU 7 -11.558 2.506 1.299 56 2HB GLU 7 2HB GLU 7 -10.290 3.105 2.371 57 1HG GLU 7 1HG GLU 7 -9.708 4.277 -0.095 58 2HG GLU 7 2HG GLU 7 -11.467 4.369 0.024 59 H ASN 8 H ASN 8 -9.147 -0.100 2.121 60 HA ASN 8 HA ASN 8 -7.118 1.079 3.859 61 1HB ASN 8 1HB ASN 8 -8.786 -0.705 4.561 62 2HB ASN 8 2HB ASN 8 -7.852 -1.848 3.595 63 1HD2 ASN 8 2HD2 ASN 8 -8.187 -1.772 6.583 64 2HD2 ASN 8 1HD2 ASN 8 -6.613 -1.656 7.211 65 H ILE 9 H ILE 9 -7.102 -1.621 1.498 66 HA ILE 9 HA ILE 9 -4.229 -1.866 1.522 67 HB ILE 9 HB ILE 9 -6.245 -2.722 -0.579 68 1HG1 ILE 9 1HG1 ILE 9 -6.603 -3.696 1.683 69 2HG1 ILE 9 2HG1 ILE 9 -6.084 -4.915 0.519 70 1HG2 ILE 9 1HG2 ILE 9 -3.753 -2.518 -1.231 71 2HG2 ILE 9 2HG2 ILE 9 -3.486 -3.860 -0.119 72 3HG2 ILE 9 3HG2 ILE 9 -4.538 -4.070 -1.519 73 1HD1 ILE 9 1HD1 ILE 9 -3.751 -4.664 1.319 74 2HD1 ILE 9 2HD1 ILE 9 -4.297 -3.486 2.511 75 3HD1 ILE 9 3HD1 ILE 9 -4.833 -5.163 2.619 76 H ILE 10 H ILE 10 -6.497 0.092 -0.311 77 HA ILE 10 HA ILE 10 -4.933 0.884 -2.489 78 HB ILE 10 HB ILE 10 -7.030 2.250 -0.856 79 1HG1 ILE 10 1HG1 ILE 10 -7.422 0.496 -2.653 80 2HG1 ILE 10 2HG1 ILE 10 -8.256 2.022 -2.894 81 1HG2 ILE 10 1HG2 ILE 10 -5.229 3.531 -2.919 82 2HG2 ILE 10 2HG2 ILE 10 -6.880 4.097 -2.669 83 3HG2 ILE 10 3HG2 ILE 10 -5.714 4.165 -1.347 84 1HD1 ILE 10 1HD1 ILE 10 -5.536 1.636 -4.087 85 2HD1 ILE 10 2HD1 ILE 10 -6.948 0.957 -4.898 86 3HD1 ILE 10 3HD1 ILE 10 -6.841 2.695 -4.620 87 H GLY 11 H GLY 11 -4.763 1.946 0.881 88 1HA GLY 11 1HA GLY 11 -2.610 3.865 0.244 89 2HA GLY 11 2HA GLY 11 -3.330 3.610 1.833 90 H VAL 12 H VAL 12 -3.047 0.687 1.706 91 HA VAL 12 HA VAL 12 -0.371 0.487 2.780 92 HB VAL 12 HB VAL 12 -2.459 -1.584 2.061 93 1HG1 VAL 12 1HG1 VAL 12 0.393 -1.882 2.756 94 2HG1 VAL 12 2HG1 VAL 12 -0.703 -2.837 3.754 95 3HG1 VAL 12 3HG1 VAL 12 -0.709 -3.035 2.001 96 1HG2 VAL 12 1HG2 VAL 12 -1.525 -0.198 4.564 97 2HG2 VAL 12 2HG2 VAL 12 -3.173 -0.452 3.986 98 3HG2 VAL 12 3HG2 VAL 12 -2.259 -1.798 4.667 99 H SER 13 H SER 13 -1.875 -0.403 -0.305 100 HA SER 13 HA SER 13 0.467 -1.746 -1.344 101 1HB SER 13 1HB SER 13 -2.180 -1.416 -2.164 102 2HB SER 13 2HB SER 13 -1.247 -0.537 -3.373 103 HG SER 13 HG SER 13 -0.754 -2.418 -4.145 104 H TYR 14 H TYR 14 -0.293 1.536 -0.818 105 HA TYR 14 HA TYR 14 1.278 2.618 -3.027 106 1HB TYR 14 1HB TYR 14 -0.250 3.686 -0.729 107 2HB TYR 14 2HB TYR 14 1.140 4.656 -1.219 108 HD1 TYR 14 HD1 TYR 14 -1.407 2.593 -3.054 109 HD2 TYR 14 HD2 TYR 14 0.528 6.404 -2.627 110 HE1 TYR 14 HE1 TYR 14 -2.695 3.464 -4.987 111 HE2 TYR 14 HE2 TYR 14 -0.759 7.275 -4.559 112 HH TYR 14 HH TYR 14 -1.983 5.819 -6.757 113 H ASP 15 H ASP 15 1.783 2.307 0.508 114 HA ASP 15 HA ASP 15 4.413 3.359 0.576 115 1HB ASP 15 1HB ASP 15 2.737 2.363 2.465 116 2HB ASP 15 2HB ASP 15 3.872 1.019 2.324 117 H GLU 16 H GLU 16 3.318 -0.004 0.057 118 HA GLU 16 HA GLU 16 5.775 -1.311 -0.114 119 1HB GLU 16 1HB GLU 16 3.119 -1.851 -0.930 120 2HB GLU 16 2HB GLU 16 4.127 -2.109 -2.355 121 1HG GLU 16 1HG GLU 16 4.163 -4.197 -1.249 122 2HG GLU 16 2HG GLU 16 5.683 -3.438 -0.774 123 H TYR 17 H TYR 17 4.201 0.764 -2.507 124 HA TYR 17 HA TYR 17 6.139 0.404 -4.595 125 1HB TYR 17 1HB TYR 17 4.327 1.493 -5.491 126 2HB TYR 17 2HB TYR 17 3.923 2.278 -3.969 127 HD1 TYR 17 HD1 TYR 17 6.547 2.339 -6.645 128 HD2 TYR 17 HD2 TYR 17 4.306 4.571 -3.740 129 HE1 TYR 17 HE1 TYR 17 7.584 4.440 -7.463 130 HE2 TYR 17 HE2 TYR 17 5.344 6.674 -4.555 131 HH TYR 17 HH TYR 17 6.965 6.915 -7.463 132 H ARG 18 H ARG 18 5.702 3.151 -2.347 133 HA ARG 18 HA ARG 18 8.169 4.426 -2.818 134 1HB ARG 18 1HB ARG 18 6.290 5.299 -1.372 135 2HB ARG 18 2HB ARG 18 6.796 4.163 -0.124 136 1HG ARG 18 1HG ARG 18 9.001 5.204 -0.013 137 2HG ARG 18 2HG ARG 18 8.581 6.292 -1.336 138 1HD ARG 18 1HD ARG 18 6.778 7.270 0.033 139 2HD ARG 18 2HD ARG 18 7.186 6.177 1.355 140 HE ARG 18 HE ARG 18 8.633 7.969 1.918 141 1HH1 ARG 18 1HH1 ARG 18 10.582 6.439 0.133 142 2HH1 ARG 18 2HH1 ARG 18 11.195 7.718 -0.861 143 1HH2 ARG 18 1HH2 ARG 18 8.658 9.933 -0.034 144 2HH2 ARG 18 2HH2 ARG 18 10.105 9.698 -0.956 145 H TYR 19 H TYR 19 7.429 1.464 -1.206 146 HA TYR 19 HA TYR 19 10.037 1.282 0.141 147 1HB TYR 19 1HB TYR 19 7.518 -0.364 0.013 148 2HB TYR 19 2HB TYR 19 8.989 -1.030 0.692 149 HD1 TYR 19 HD1 TYR 19 8.906 2.503 1.104 150 HD2 TYR 19 HD2 TYR 19 7.379 -1.156 2.757 151 HE1 TYR 19 HE1 TYR 19 8.446 3.662 3.251 152 HE2 TYR 19 HE2 TYR 19 6.921 0.002 4.903 153 HH TYR 19 HH TYR 19 6.748 3.236 5.242 154 H ARG 20 H ARG 20 8.734 0.614 -2.913 155 HA ARG 20 HA ARG 20 10.159 -1.850 -3.476 156 1HB ARG 20 1HB ARG 20 8.156 -1.255 -4.744 157 2HB ARG 20 2HB ARG 20 8.937 0.214 -5.328 158 1HG ARG 20 1HG ARG 20 10.740 -1.848 -5.935 159 2HG ARG 20 2HG ARG 20 9.151 -2.495 -6.345 160 1HD ARG 20 1HD ARG 20 8.775 -0.915 -7.983 161 2HD ARG 20 2HD ARG 20 9.751 0.310 -7.172 162 HE ARG 20 HE ARG 20 11.014 -2.020 -8.558 163 1HH1 ARG 20 1HH1 ARG 20 10.187 1.150 -9.126 164 2HH1 ARG 20 2HH1 ARG 20 11.791 1.708 -9.467 165 1HH2 ARG 20 1HH2 ARG 20 13.318 -1.232 -8.444 166 2HH2 ARG 20 2HH2 ARG 20 13.562 0.361 -9.079 167 H SER 21 H SER 21 10.946 1.569 -3.702 168 HA SER 21 HA SER 21 13.477 0.853 -5.102 169 1HB SER 21 1HB SER 21 11.932 2.709 -5.984 170 2HB SER 21 2HB SER 21 12.467 3.651 -4.595 171 HG SER 21 HG SER 21 14.225 4.040 -5.658 172 H VAL 22 H VAL 22 12.928 0.443 -2.201 173 HA VAL 22 HA VAL 22 15.362 1.713 -1.198 174 HB VAL 22 HB VAL 22 13.961 3.439 -0.567 175 1HG1 VAL 22 1HG1 VAL 22 11.824 1.345 -0.223 176 2HG1 VAL 22 2HG1 VAL 22 11.599 3.039 0.211 177 3HG1 VAL 22 3HG1 VAL 22 11.911 2.591 -1.466 178 1HG2 VAL 22 1HG2 VAL 22 14.962 2.173 1.455 179 2HG2 VAL 22 2HG2 VAL 22 13.661 3.320 1.779 180 3HG2 VAL 22 3HG2 VAL 22 13.318 1.591 1.724 181 H ILE 23 H ILE 23 12.523 -0.334 -0.520 182 HA ILE 23 HA ILE 23 14.207 -1.930 1.358 183 HB ILE 23 HB ILE 23 11.201 -1.713 1.024 184 1HG1 ILE 23 1HG1 ILE 23 12.394 -1.356 3.673 185 2HG1 ILE 23 2HG1 ILE 23 13.013 -0.196 2.496 186 1HG2 ILE 23 1HG2 ILE 23 12.879 -3.593 2.701 187 2HG2 ILE 23 2HG2 ILE 23 11.174 -3.277 3.024 188 3HG2 ILE 23 3HG2 ILE 23 11.661 -4.022 1.501 189 1HD1 ILE 23 1HD1 ILE 23 10.681 0.380 1.867 190 2HD1 ILE 23 2HD1 ILE 23 10.090 -0.735 3.098 191 3HD1 ILE 23 3HD1 ILE 23 10.999 0.700 3.572 192 H LYS 24 H LYS 24 12.286 -2.051 -1.576 193 HA LYS 24 HA LYS 24 11.901 -3.810 -3.097 194 1HB LYS 24 1HB LYS 24 14.727 -4.546 -2.286 195 2HB LYS 24 2HB LYS 24 13.936 -4.901 -3.821 196 1HG LYS 24 1HG LYS 24 13.746 -2.473 -4.274 197 2HG LYS 24 2HG LYS 24 14.577 -2.134 -2.755 198 1HD LYS 24 1HD LYS 24 16.395 -3.779 -3.757 199 2HD LYS 24 2HD LYS 24 15.664 -3.303 -5.291 200 1HE LYS 24 1HE LYS 24 15.968 -0.904 -3.830 201 2HE LYS 24 2HE LYS 24 17.489 -1.797 -3.628 202 1HZ LYS 24 1HZ LYS 24 17.342 -2.276 -6.076 203 2HZ LYS 24 2HZ LYS 24 16.108 -1.111 -6.161 204 3HZ LYS 24 3HZ LYS 24 17.668 -0.658 -5.674 205 H ALA 25 H ALA 25 10.454 -4.659 -1.195 206 HA ALA 25 HA ALA 25 9.669 -6.512 0.012 207 1HB ALA 25 1HB ALA 25 10.667 -7.446 -2.391 208 2HB ALA 25 2HB ALA 25 11.511 -8.445 -1.209 209 3HB ALA 25 3HB ALA 25 9.748 -8.405 -1.233 Start of MODEL 9 1 1H MET 1 1H MET 1 -20.604 4.318 2.076 2 2H MET 1 2H MET 1 -19.973 5.851 2.434 3 3H MET 1 3H MET 1 -19.401 4.994 1.083 4 HA MET 1 HA MET 1 -17.734 4.728 2.714 5 1HB MET 1 1HB MET 1 -19.432 5.586 4.440 6 2HB MET 1 2HB MET 1 -19.946 3.907 4.612 7 1HG MET 1 1HG MET 1 -18.299 3.762 6.168 8 2HG MET 1 2HG MET 1 -17.207 3.689 4.784 9 1HE MET 1 1HE MET 1 -19.285 5.975 6.989 10 2HE MET 1 2HE MET 1 -17.958 5.488 8.040 11 3HE MET 1 3HE MET 1 -18.128 7.178 7.575 12 HA PRO 2 HA PRO 2 -18.507 0.512 1.201 13 1HB PRO 2 1HB PRO 2 -15.954 0.117 0.296 14 2HB PRO 2 2HB PRO 2 -17.197 0.958 -0.652 15 1HG PRO 2 1HG PRO 2 -14.947 2.076 0.932 16 2HG PRO 2 2HG PRO 2 -15.633 2.628 -0.603 17 1HD PRO 2 1HD PRO 2 -16.151 3.793 1.826 18 2HD PRO 2 2HD PRO 2 -17.239 3.880 0.423 19 H GLY 3 H GLY 3 -16.801 1.834 3.735 20 1HA GLY 3 1HA GLY 3 -16.462 0.564 5.789 21 2HA GLY 3 2HA GLY 3 -16.169 -0.872 4.807 22 H THR 4 H THR 4 -14.216 -0.809 6.389 23 HA THR 4 HA THR 4 -12.074 0.999 5.384 24 HB THR 4 HB THR 4 -12.476 0.825 7.856 25 HG1 THR 4 HG1 THR 4 -10.080 0.141 6.604 26 1HG2 THR 4 1HG2 THR 4 -12.245 -2.016 7.178 27 2HG2 THR 4 2HG2 THR 4 -11.230 -1.547 8.542 28 3HG2 THR 4 3HG2 THR 4 -12.967 -1.254 8.595 29 H ILE 5 H ILE 5 -13.094 -1.329 3.863 30 HA ILE 5 HA ILE 5 -11.103 -3.442 4.093 31 HB ILE 5 HB ILE 5 -13.136 -2.795 1.939 32 1HG1 ILE 5 1HG1 ILE 5 -13.922 -3.514 4.254 33 2HG1 ILE 5 2HG1 ILE 5 -14.435 -4.558 2.926 34 1HG2 ILE 5 1HG2 ILE 5 -10.903 -4.698 2.022 35 2HG2 ILE 5 2HG2 ILE 5 -12.459 -5.471 1.713 36 3HG2 ILE 5 3HG2 ILE 5 -11.888 -4.182 0.653 37 1HD1 ILE 5 1HD1 ILE 5 -11.889 -5.118 4.441 38 2HD1 ILE 5 2HD1 ILE 5 -13.446 -5.693 5.038 39 3HD1 ILE 5 3HD1 ILE 5 -12.855 -6.224 3.465 40 H LYS 6 H LYS 6 -11.646 -0.711 1.868 41 HA LYS 6 HA LYS 6 -9.003 -1.289 0.623 42 1HB LYS 6 1HB LYS 6 -11.422 0.282 -0.228 43 2HB LYS 6 2HB LYS 6 -9.851 0.616 -0.957 44 1HG LYS 6 1HG LYS 6 -10.242 -1.111 -2.354 45 2HG LYS 6 2HG LYS 6 -10.042 -2.175 -0.962 46 1HD LYS 6 1HD LYS 6 -12.430 -2.056 -0.475 47 2HD LYS 6 2HD LYS 6 -12.664 -0.893 -1.783 48 1HE LYS 6 1HE LYS 6 -11.383 -3.539 -2.417 49 2HE LYS 6 2HE LYS 6 -13.147 -3.450 -2.233 50 1HZ LYS 6 1HZ LYS 6 -11.786 -1.368 -3.789 51 2HZ LYS 6 2HZ LYS 6 -12.023 -2.882 -4.516 52 3HZ LYS 6 3HZ LYS 6 -13.358 -1.990 -3.960 53 H GLU 7 H GLU 7 -10.507 0.801 2.886 54 HA GLU 7 HA GLU 7 -8.843 3.128 2.454 55 1HB GLU 7 1HB GLU 7 -10.767 2.198 4.505 56 2HB GLU 7 2HB GLU 7 -9.523 3.304 5.085 57 1HG GLU 7 1HG GLU 7 -10.172 5.010 3.583 58 2HG GLU 7 2HG GLU 7 -11.086 3.889 2.571 59 H ASN 8 H ASN 8 -8.457 0.127 4.241 60 HA ASN 8 HA ASN 8 -5.983 1.149 5.515 61 1HB ASN 8 1HB ASN 8 -7.718 -0.321 6.717 62 2HB ASN 8 2HB ASN 8 -7.091 -1.651 5.744 63 1HD2 ASN 8 2HD2 ASN 8 -6.803 -1.607 8.606 64 2HD2 ASN 8 1HD2 ASN 8 -5.152 -1.452 8.966 65 H ILE 9 H ILE 9 -7.031 -1.241 3.108 66 HA ILE 9 HA ILE 9 -4.439 -2.404 2.695 67 HB ILE 9 HB ILE 9 -6.658 -2.141 0.647 68 1HG1 ILE 9 1HG1 ILE 9 -7.390 -3.063 2.899 69 2HG1 ILE 9 2HG1 ILE 9 -7.590 -4.175 1.543 70 1HG2 ILE 9 1HG2 ILE 9 -4.458 -2.940 -0.182 71 2HG2 ILE 9 2HG2 ILE 9 -4.471 -4.209 1.045 72 3HG2 ILE 9 3HG2 ILE 9 -5.678 -4.212 -0.242 73 1HD1 ILE 9 1HD1 ILE 9 -5.079 -4.181 3.216 74 2HD1 ILE 9 2HD1 ILE 9 -6.502 -5.108 3.694 75 3HD1 ILE 9 3HD1 ILE 9 -5.699 -5.453 2.162 76 H ILE 10 H ILE 10 -6.123 0.324 1.131 77 HA ILE 10 HA ILE 10 -4.317 0.892 -0.932 78 HB ILE 10 HB ILE 10 -5.954 2.700 0.857 79 1HG1 ILE 10 1HG1 ILE 10 -6.107 1.956 -2.083 80 2HG1 ILE 10 2HG1 ILE 10 -7.126 1.293 -0.807 81 1HG2 ILE 10 1HG2 ILE 10 -3.943 3.962 0.148 82 2HG2 ILE 10 2HG2 ILE 10 -4.266 3.523 -1.530 83 3HG2 ILE 10 3HG2 ILE 10 -5.391 4.563 -0.657 84 1HD1 ILE 10 1HD1 ILE 10 -7.890 3.634 -0.294 85 2HD1 ILE 10 2HD1 ILE 10 -6.998 4.182 -1.713 86 3HD1 ILE 10 3HD1 ILE 10 -8.356 3.073 -1.901 87 H GLY 11 H GLY 11 -4.088 1.744 2.514 88 1HA GLY 11 1HA GLY 11 -1.599 3.188 2.248 89 2HA GLY 11 2HA GLY 11 -2.252 2.543 3.757 90 H VAL 12 H VAL 12 -2.483 -0.180 2.701 91 HA VAL 12 HA VAL 12 0.198 -1.101 3.321 92 HB VAL 12 HB VAL 12 -2.202 -2.613 2.232 93 1HG1 VAL 12 1HG1 VAL 12 0.509 -3.443 3.232 94 2HG1 VAL 12 2HG1 VAL 12 -0.876 -4.509 3.473 95 3HG1 VAL 12 3HG1 VAL 12 -0.394 -4.043 1.841 96 1HG2 VAL 12 1HG2 VAL 12 -1.665 -1.443 4.794 97 2HG2 VAL 12 2HG2 VAL 12 -3.048 -2.423 4.311 98 3HG2 VAL 12 3HG2 VAL 12 -1.602 -3.198 4.961 99 H SER 13 H SER 13 -1.696 -0.614 0.392 100 HA SER 13 HA SER 13 0.425 -1.819 -1.281 101 1HB SER 13 1HB SER 13 -2.395 -1.023 -1.649 102 2HB SER 13 2HB SER 13 -1.355 -0.688 -3.031 103 HG SER 13 HG SER 13 -2.340 -3.027 -2.188 104 H TYR 14 H TYR 14 0.537 0.828 0.348 105 HA TYR 14 HA TYR 14 1.451 2.544 -1.930 106 1HB TYR 14 1HB TYR 14 -0.257 3.115 0.361 107 2HB TYR 14 2HB TYR 14 1.136 4.196 0.307 108 HD1 TYR 14 HD1 TYR 14 1.718 4.706 -2.412 109 HD2 TYR 14 HD2 TYR 14 -2.131 4.091 -0.609 110 HE1 TYR 14 HE1 TYR 14 0.654 5.990 -4.247 111 HE2 TYR 14 HE2 TYR 14 -3.197 5.374 -2.444 112 HH TYR 14 HH TYR 14 -2.513 7.137 -4.091 113 H ASP 15 H ASP 15 2.223 1.087 1.138 114 HA ASP 15 HA ASP 15 4.789 2.564 1.303 115 1HB ASP 15 1HB ASP 15 3.044 1.269 3.193 116 2HB ASP 15 2HB ASP 15 4.651 0.547 3.293 117 H GLU 16 H GLU 16 3.648 -0.828 1.168 118 HA GLU 16 HA GLU 16 6.130 -2.118 0.958 119 1HB GLU 16 1HB GLU 16 3.391 -2.780 0.489 120 2HB GLU 16 2HB GLU 16 4.334 -3.362 -0.882 121 1HG GLU 16 1HG GLU 16 5.850 -4.554 0.613 122 2HG GLU 16 2HG GLU 16 5.016 -3.900 2.022 123 H TYR 17 H TYR 17 4.330 -0.348 -1.499 124 HA TYR 17 HA TYR 17 6.169 -1.149 -3.639 125 1HB TYR 17 1HB TYR 17 4.129 1.086 -3.668 126 2HB TYR 17 2HB TYR 17 4.812 0.236 -5.056 127 HD1 TYR 17 HD1 TYR 17 4.677 -2.428 -3.084 128 HD2 TYR 17 HD2 TYR 17 1.913 0.404 -4.751 129 HE1 TYR 17 HE1 TYR 17 2.864 -4.120 -2.957 130 HE2 TYR 17 HE2 TYR 17 0.099 -1.286 -4.626 131 HH TYR 17 HH TYR 17 0.728 -4.605 -3.955 132 H ARG 18 H ARG 18 5.347 2.031 -2.163 133 HA ARG 18 HA ARG 18 7.538 3.452 -3.229 134 1HB ARG 18 1HB ARG 18 5.567 4.073 -1.432 135 2HB ARG 18 2HB ARG 18 6.970 3.985 -0.366 136 1HG ARG 18 1HG ARG 18 8.188 5.502 -1.962 137 2HG ARG 18 2HG ARG 18 6.675 5.699 -2.847 138 1HD ARG 18 1HD ARG 18 6.263 7.417 -1.434 139 2HD ARG 18 2HD ARG 18 5.919 6.176 -0.229 140 HE ARG 18 HE ARG 18 8.607 6.422 0.039 141 1HH1 ARG 18 1HH1 ARG 18 8.235 9.141 -1.314 142 2HH1 ARG 18 2HH1 ARG 18 8.101 10.178 0.067 143 1HH2 ARG 18 1HH2 ARG 18 7.500 7.581 2.288 144 2HH2 ARG 18 2HH2 ARG 18 7.685 9.294 2.108 145 H TYR 19 H TYR 19 7.334 0.957 -0.852 146 HA TYR 19 HA TYR 19 9.804 1.234 0.519 147 1HB TYR 19 1HB TYR 19 7.716 -0.744 0.203 148 2HB TYR 19 2HB TYR 19 9.295 -1.519 0.141 149 HD1 TYR 19 HD1 TYR 19 10.863 0.335 1.833 150 HD2 TYR 19 HD2 TYR 19 6.936 -1.299 2.382 151 HE1 TYR 19 HE1 TYR 19 11.121 0.569 4.291 152 HE2 TYR 19 HE2 TYR 19 7.186 -1.069 4.846 153 HH TYR 19 HH TYR 19 9.147 0.817 6.323 154 H ARG 20 H ARG 20 8.965 -0.206 -2.610 155 HA ARG 20 HA ARG 20 11.527 -1.444 -3.073 156 1HB ARG 20 1HB ARG 20 9.532 -0.463 -5.139 157 2HB ARG 20 2HB ARG 20 10.785 -1.680 -5.377 158 1HG ARG 20 1HG ARG 20 9.585 -2.863 -3.338 159 2HG ARG 20 2HG ARG 20 8.209 -1.889 -3.858 160 1HD ARG 20 1HD ARG 20 8.010 -3.945 -5.048 161 2HD ARG 20 2HD ARG 20 8.652 -2.789 -6.215 162 HE ARG 20 HE ARG 20 10.597 -4.473 -4.738 163 1HH1 ARG 20 1HH1 ARG 20 8.510 -5.050 -7.241 164 2HH1 ARG 20 2HH1 ARG 20 9.721 -5.322 -8.449 165 1HH2 ARG 20 1HH2 ARG 20 12.338 -4.221 -6.455 166 2HH2 ARG 20 2HH2 ARG 20 11.888 -4.849 -8.005 167 H SER 21 H SER 21 10.286 1.800 -3.497 168 HA SER 21 HA SER 21 12.664 2.589 -5.066 169 1HB SER 21 1HB SER 21 10.260 3.466 -5.470 170 2HB SER 21 2HB SER 21 10.537 4.464 -4.046 171 HG SER 21 HG SER 21 12.286 5.399 -5.083 172 H VAL 22 H VAL 22 12.857 1.685 -2.276 173 HA VAL 22 HA VAL 22 14.402 3.957 -1.235 174 HB VAL 22 HB VAL 22 12.423 4.455 -0.136 175 1HG1 VAL 22 1HG1 VAL 22 11.410 2.229 -1.088 176 2HG1 VAL 22 2HG1 VAL 22 11.765 1.614 0.519 177 3HG1 VAL 22 3HG1 VAL 22 10.683 2.992 0.320 178 1HG2 VAL 22 1HG2 VAL 22 14.417 3.421 1.398 179 2HG2 VAL 22 2HG2 VAL 22 12.956 4.155 2.061 180 3HG2 VAL 22 3HG2 VAL 22 13.062 2.403 1.888 181 H ILE 23 H ILE 23 13.344 0.568 -0.841 182 HA ILE 23 HA ILE 23 15.723 -0.050 0.784 183 HB ILE 23 HB ILE 23 13.922 -2.145 -0.412 184 1HG1 ILE 23 1HG1 ILE 23 13.227 -0.892 2.220 185 2HG1 ILE 23 2HG1 ILE 23 12.668 -0.108 0.743 186 1HG2 ILE 23 1HG2 ILE 23 16.056 -2.486 1.070 187 2HG2 ILE 23 2HG2 ILE 23 14.990 -2.013 2.393 188 3HG2 ILE 23 3HG2 ILE 23 14.606 -3.429 1.416 189 1HD1 ILE 23 1HD1 ILE 23 11.996 -2.629 0.131 190 2HD1 ILE 23 2HD1 ILE 23 11.910 -2.753 1.888 191 3HD1 ILE 23 3HD1 ILE 23 10.916 -1.572 1.037 192 H LYS 24 H LYS 24 14.411 -1.214 -2.350 193 HA LYS 24 HA LYS 24 16.806 -2.548 -3.149 194 1HB LYS 24 1HB LYS 24 14.696 -2.991 -4.285 195 2HB LYS 24 2HB LYS 24 14.595 -1.314 -4.820 196 1HG LYS 24 1HG LYS 24 17.146 -2.394 -5.592 197 2HG LYS 24 2HG LYS 24 15.867 -3.473 -6.149 198 1HD LYS 24 1HD LYS 24 14.902 -0.890 -6.663 199 2HD LYS 24 2HD LYS 24 16.598 -0.843 -7.139 200 1HE LYS 24 1HE LYS 24 16.325 -2.640 -8.687 201 2HE LYS 24 2HE LYS 24 14.747 -3.080 -8.008 202 1HZ LYS 24 1HZ LYS 24 14.467 -0.444 -8.578 203 2HZ LYS 24 2HZ LYS 24 15.407 -0.995 -9.881 204 3HZ LYS 24 3HZ LYS 24 13.906 -1.715 -9.549 205 H ALA 25 H ALA 25 18.544 -1.822 -4.460 206 HA ALA 25 HA ALA 25 19.099 1.054 -4.236 207 1HB ALA 25 1HB ALA 25 20.726 -1.187 -5.479 208 2HB ALA 25 2HB ALA 25 21.300 0.454 -5.189 209 3HB ALA 25 3HB ALA 25 20.893 -0.591 -3.827 Start of MODEL 10 1 1H MET 1 1H MET 1 -21.281 -1.911 3.986 2 2H MET 1 2H MET 1 -21.945 -2.692 2.632 3 3H MET 1 3H MET 1 -21.074 -3.584 3.781 4 HA MET 1 HA MET 1 -19.131 -3.157 2.790 5 1HB MET 1 1HB MET 1 -19.375 -2.430 0.446 6 2HB MET 1 2HB MET 1 -20.679 -3.535 0.881 7 1HG MET 1 1HG MET 1 -21.595 -0.967 1.593 8 2HG MET 1 2HG MET 1 -20.849 -0.782 0.004 9 1HE MET 1 1HE MET 1 -23.885 -0.583 1.181 10 2HE MET 1 2HE MET 1 -23.556 -0.054 -0.467 11 3HE MET 1 3HE MET 1 -24.870 -1.194 -0.145 12 HA PRO 2 HA PRO 2 -18.979 1.246 4.240 13 1HB PRO 2 1HB PRO 2 -17.108 0.830 6.191 14 2HB PRO 2 2HB PRO 2 -18.851 0.644 6.471 15 1HG PRO 2 1HG PRO 2 -16.779 -1.435 5.990 16 2HG PRO 2 2HG PRO 2 -18.178 -1.465 7.074 17 1HD PRO 2 1HD PRO 2 -18.107 -2.727 4.649 18 2HD PRO 2 2HD PRO 2 -19.602 -2.159 5.425 19 H GLY 3 H GLY 3 -16.843 -1.079 2.984 20 1HA GLY 3 1HA GLY 3 -14.694 -0.933 2.012 21 2HA GLY 3 2HA GLY 3 -15.351 0.560 1.338 22 H THR 4 H THR 4 -14.244 -0.475 4.595 23 HA THR 4 HA THR 4 -12.657 2.060 4.678 24 HB THR 4 HB THR 4 -14.318 2.219 6.377 25 HG1 THR 4 HG1 THR 4 -13.055 2.091 8.255 26 1HG2 THR 4 1HG2 THR 4 -13.850 -0.698 6.577 27 2HG2 THR 4 2HG2 THR 4 -14.194 0.127 8.098 28 3HG2 THR 4 3HG2 THR 4 -15.344 0.220 6.765 29 H ILE 5 H ILE 5 -12.662 -1.410 5.315 30 HA ILE 5 HA ILE 5 -10.026 -1.481 6.502 31 HB ILE 5 HB ILE 5 -11.474 -3.702 5.028 32 1HG1 ILE 5 1HG1 ILE 5 -11.517 -3.542 7.992 33 2HG1 ILE 5 2HG1 ILE 5 -12.505 -2.349 7.147 34 1HG2 ILE 5 1HG2 ILE 5 -8.923 -3.509 6.333 35 2HG2 ILE 5 2HG2 ILE 5 -9.963 -4.582 7.271 36 3HG2 ILE 5 3HG2 ILE 5 -9.659 -4.917 5.566 37 1HD1 ILE 5 1HD1 ILE 5 -13.471 -4.267 5.794 38 2HD1 ILE 5 2HD1 ILE 5 -12.652 -5.364 6.907 39 3HD1 ILE 5 3HD1 ILE 5 -13.902 -4.272 7.504 40 H LYS 6 H LYS 6 -11.263 -1.700 3.201 41 HA LYS 6 HA LYS 6 -8.688 -2.412 2.048 42 1HB LYS 6 1HB LYS 6 -9.803 -1.877 -0.113 43 2HB LYS 6 2HB LYS 6 -10.766 -2.975 0.876 44 1HG LYS 6 1HG LYS 6 -12.463 -1.507 0.597 45 2HG LYS 6 2HG LYS 6 -11.594 -0.464 1.722 46 1HD LYS 6 1HD LYS 6 -11.263 1.035 0.080 47 2HD LYS 6 2HD LYS 6 -10.386 -0.179 -0.850 48 1HE LYS 6 1HE LYS 6 -13.402 -0.204 -0.825 49 2HE LYS 6 2HE LYS 6 -12.522 0.881 -1.922 50 1HZ LYS 6 1HZ LYS 6 -11.603 -1.889 -1.691 51 2HZ LYS 6 2HZ LYS 6 -13.017 -1.605 -2.585 52 3HZ LYS 6 3HZ LYS 6 -11.565 -0.845 -3.031 53 H GLU 7 H GLU 7 -10.330 0.557 2.889 54 HA GLU 7 HA GLU 7 -8.789 2.342 1.248 55 1HB GLU 7 1HB GLU 7 -10.958 2.758 2.684 56 2HB GLU 7 2HB GLU 7 -9.803 3.146 3.959 57 1HG GLU 7 1HG GLU 7 -8.750 4.526 1.840 58 2HG GLU 7 2HG GLU 7 -10.478 4.651 1.512 59 H ASN 8 H ASN 8 -8.132 0.679 4.236 60 HA ASN 8 HA ASN 8 -5.832 2.378 4.911 61 1HB ASN 8 1HB ASN 8 -7.282 1.192 6.625 62 2HB ASN 8 2HB ASN 8 -6.564 -0.322 6.073 63 1HD2 ASN 8 2HD2 ASN 8 -5.087 2.924 6.626 64 2HD2 ASN 8 1HD2 ASN 8 -3.904 2.362 7.706 65 H ILE 9 H ILE 9 -6.346 -0.986 3.798 66 HA ILE 9 HA ILE 9 -3.674 -1.796 3.576 67 HB ILE 9 HB ILE 9 -5.829 -2.385 1.524 68 1HG1 ILE 9 1HG1 ILE 9 -6.720 -2.812 3.754 69 2HG1 ILE 9 2HG1 ILE 9 -6.323 -4.355 2.997 70 1HG2 ILE 9 1HG2 ILE 9 -3.264 -3.734 2.387 71 2HG2 ILE 9 2HG2 ILE 9 -4.531 -4.608 1.524 72 3HG2 ILE 9 3HG2 ILE 9 -3.736 -3.229 0.765 73 1HD1 ILE 9 1HD1 ILE 9 -4.542 -2.851 4.938 74 2HD1 ILE 9 2HD1 ILE 9 -5.517 -4.266 5.336 75 3HD1 ILE 9 3HD1 ILE 9 -4.178 -4.410 4.198 76 H ILE 10 H ILE 10 -5.577 0.231 1.379 77 HA ILE 10 HA ILE 10 -3.818 0.401 -0.801 78 HB ILE 10 HB ILE 10 -5.654 2.427 0.484 79 1HG1 ILE 10 1HG1 ILE 10 -5.682 0.986 -2.189 80 2HG1 ILE 10 2HG1 ILE 10 -6.611 0.504 -0.769 81 1HG2 ILE 10 1HG2 ILE 10 -3.953 2.794 -2.004 82 2HG2 ILE 10 2HG2 ILE 10 -5.266 3.866 -1.514 83 3HG2 ILE 10 3HG2 ILE 10 -3.825 3.719 -0.508 84 1HD1 ILE 10 1HD1 ILE 10 -7.159 3.239 -1.112 85 2HD1 ILE 10 2HD1 ILE 10 -7.215 2.548 -2.733 86 3HD1 ILE 10 3HD1 ILE 10 -8.244 1.893 -1.461 87 H GLY 11 H GLY 11 -3.705 2.113 2.312 88 1HA GLY 11 1HA GLY 11 -1.391 3.709 1.643 89 2HA GLY 11 2HA GLY 11 -1.978 3.390 3.278 90 H VAL 12 H VAL 12 -1.870 0.509 3.062 91 HA VAL 12 HA VAL 12 0.935 0.117 3.715 92 HB VAL 12 HB VAL 12 -1.370 -1.827 3.392 93 1HG1 VAL 12 1HG1 VAL 12 1.530 -2.208 4.039 94 2HG1 VAL 12 2HG1 VAL 12 0.342 -3.213 4.870 95 3HG1 VAL 12 3HG1 VAL 12 0.445 -3.243 3.111 96 1HG2 VAL 12 1HG2 VAL 12 -1.345 -0.067 5.273 97 2HG2 VAL 12 2HG2 VAL 12 -1.530 -1.750 5.764 98 3HG2 VAL 12 3HG2 VAL 12 0.035 -0.952 5.922 99 H SER 13 H SER 13 -0.795 0.169 0.813 100 HA SER 13 HA SER 13 1.117 -1.681 -0.528 101 1HB SER 13 1HB SER 13 -1.647 -0.759 -1.085 102 2HB SER 13 2HB SER 13 -0.608 -0.954 -2.492 103 HG SER 13 HG SER 13 -1.064 -2.994 -2.271 104 H TYR 14 H TYR 14 -0.254 1.608 -0.847 105 HA TYR 14 HA TYR 14 1.308 2.484 -3.025 106 1HB TYR 14 1HB TYR 14 -0.352 3.692 -1.009 107 2HB TYR 14 2HB TYR 14 1.109 4.659 -1.215 108 HD1 TYR 14 HD1 TYR 14 -1.425 2.825 -3.292 109 HD2 TYR 14 HD2 TYR 14 1.147 6.245 -2.922 110 HE1 TYR 14 HE1 TYR 14 -2.327 3.732 -5.417 111 HE2 TYR 14 HE2 TYR 14 0.244 7.153 -5.046 112 HH TYR 14 HH TYR 14 -0.908 6.518 -6.974 113 H ASP 15 H ASP 15 2.106 2.437 0.440 114 HA ASP 15 HA ASP 15 4.663 3.732 0.127 115 1HB ASP 15 1HB ASP 15 3.125 3.032 2.283 116 2HB ASP 15 2HB ASP 15 4.387 1.801 2.349 117 H GLU 16 H GLU 16 3.695 0.304 0.420 118 HA GLU 16 HA GLU 16 6.195 -0.926 0.320 119 1HB GLU 16 1HB GLU 16 3.504 -1.703 -0.140 120 2HB GLU 16 2HB GLU 16 4.441 -2.285 -1.515 121 1HG GLU 16 1HG GLU 16 6.090 -2.872 0.620 122 2HG GLU 16 2HG GLU 16 4.485 -3.176 1.283 123 H TYR 17 H TYR 17 4.434 0.699 -2.249 124 HA TYR 17 HA TYR 17 6.177 -0.191 -4.388 125 1HB TYR 17 1HB TYR 17 4.332 0.609 -5.449 126 2HB TYR 17 2HB TYR 17 3.866 1.593 -4.067 127 HD1 TYR 17 HD1 TYR 17 6.371 1.472 -6.849 128 HD2 TYR 17 HD2 TYR 17 4.058 3.923 -4.188 129 HE1 TYR 17 HE1 TYR 17 7.161 3.502 -8.036 130 HE2 TYR 17 HE2 TYR 17 4.845 5.956 -5.376 131 HH TYR 17 HH TYR 17 7.323 5.779 -7.876 132 H ARG 18 H ARG 18 5.779 3.089 -2.986 133 HA ARG 18 HA ARG 18 8.129 4.231 -3.988 134 1HB ARG 18 1HB ARG 18 6.261 5.196 -2.371 135 2HB ARG 18 2HB ARG 18 7.407 4.734 -1.116 136 1HG ARG 18 1HG ARG 18 9.175 6.037 -2.324 137 2HG ARG 18 2HG ARG 18 7.934 6.599 -3.446 138 1HD ARG 18 1HD ARG 18 7.869 8.327 -1.912 139 2HD ARG 18 2HD ARG 18 6.689 7.241 -1.178 140 HE ARG 18 HE ARG 18 8.628 6.418 0.263 141 1HH1 ARG 18 1HH1 ARG 18 10.858 7.893 -0.939 142 2HH1 ARG 18 2HH1 ARG 18 10.971 9.315 0.042 143 1HH2 ARG 18 1HH2 ARG 18 7.801 8.953 1.399 144 2HH2 ARG 18 2HH2 ARG 18 9.238 9.917 1.364 145 H TYR 19 H TYR 19 7.690 1.827 -1.543 146 HA TYR 19 HA TYR 19 10.241 1.964 -0.263 147 1HB TYR 19 1HB TYR 19 7.941 0.116 -0.433 148 2HB TYR 19 2HB TYR 19 9.480 -0.650 -0.057 149 HD1 TYR 19 HD1 TYR 19 8.514 2.829 0.787 150 HD2 TYR 19 HD2 TYR 19 9.134 -1.159 2.250 151 HE1 TYR 19 HE1 TYR 19 8.367 3.661 3.122 152 HE2 TYR 19 HE2 TYR 19 8.988 -0.332 4.585 153 HH TYR 19 HH TYR 19 7.658 2.290 5.521 154 H ARG 20 H ARG 20 9.016 -0.091 -2.926 155 HA ARG 20 HA ARG 20 11.352 -1.586 -3.406 156 1HB ARG 20 1HB ARG 20 8.942 -0.851 -4.915 157 2HB ARG 20 2HB ARG 20 10.346 -1.140 -5.943 158 1HG ARG 20 1HG ARG 20 10.701 -3.290 -4.588 159 2HG ARG 20 2HG ARG 20 9.076 -3.027 -3.952 160 1HD ARG 20 1HD ARG 20 8.818 -2.658 -6.717 161 2HD ARG 20 2HD ARG 20 9.883 -4.054 -6.549 162 HE ARG 20 HE ARG 20 7.101 -3.882 -5.505 163 1HH1 ARG 20 1HH2 ARG 20 8.950 -5.752 -7.435 164 2HH1 ARG 20 2HH2 ARG 20 8.735 -7.240 -6.575 165 1HH2 ARG 20 1HH1 ARG 20 7.275 -5.743 -3.809 166 2HH2 ARG 20 2HH1 ARG 20 7.789 -7.236 -4.524 167 H SER 21 H SER 21 10.782 1.782 -3.917 168 HA SER 21 HA SER 21 12.971 2.048 -5.867 169 1HB SER 21 1HB SER 21 10.767 3.459 -5.730 170 2HB SER 21 2HB SER 21 11.658 4.374 -4.516 171 HG SER 21 HG SER 21 13.268 4.745 -6.056 172 H VAL 22 H VAL 22 12.558 2.210 -2.460 173 HA VAL 22 HA VAL 22 15.281 3.379 -2.221 174 HB VAL 22 HB VAL 22 14.264 4.998 -1.059 175 1HG1 VAL 22 1HG1 VAL 22 11.816 3.234 -1.059 176 2HG1 VAL 22 2HG1 VAL 22 11.835 4.896 -0.469 177 3HG1 VAL 22 3HG1 VAL 22 12.173 4.558 -2.167 178 1HG2 VAL 22 1HG2 VAL 22 13.575 2.754 0.859 179 2HG2 VAL 22 2HG2 VAL 22 15.007 3.782 0.915 180 3HG2 VAL 22 3HG2 VAL 22 13.417 4.468 1.248 181 H ILE 23 H ILE 23 13.411 0.602 -1.713 182 HA ILE 23 HA ILE 23 15.347 -0.338 0.369 183 HB ILE 23 HB ILE 23 12.468 -1.147 -0.111 184 1HG1 ILE 23 1HG1 ILE 23 13.082 -0.473 2.587 185 2HG1 ILE 23 2HG1 ILE 23 13.766 0.790 1.564 186 1HG2 ILE 23 1HG2 ILE 23 14.669 -2.387 1.533 187 2HG2 ILE 23 2HG2 ILE 23 12.984 -2.536 2.031 188 3HG2 ILE 23 3HG2 ILE 23 13.503 -3.180 0.473 189 1HD1 ILE 23 1HD1 ILE 23 11.049 -0.119 0.826 190 2HD1 ILE 23 2HD1 ILE 23 11.169 0.755 2.352 191 3HD1 ILE 23 3HD1 ILE 23 11.719 1.511 0.857 192 H LYS 24 H LYS 24 13.687 -1.114 -2.649 193 HA LYS 24 HA LYS 24 15.216 -3.657 -2.830 194 1HB LYS 24 1HB LYS 24 12.838 -2.516 -4.263 195 2HB LYS 24 2HB LYS 24 13.803 -3.765 -5.050 196 1HG LYS 24 1HG LYS 24 12.559 -3.995 -2.292 197 2HG LYS 24 2HG LYS 24 11.932 -4.751 -3.759 198 1HD LYS 24 1HD LYS 24 14.437 -5.675 -3.903 199 2HD LYS 24 2HD LYS 24 14.356 -5.444 -2.156 200 1HE LYS 24 1HE LYS 24 12.147 -6.895 -3.628 201 2HE LYS 24 2HE LYS 24 13.597 -7.749 -3.063 202 1HZ LYS 24 1HZ LYS 24 12.881 -6.106 -0.982 203 2HZ LYS 24 2HZ LYS 24 11.405 -6.733 -1.540 204 3HZ LYS 24 3HZ LYS 24 12.645 -7.786 -1.063 205 H ALA 25 H ALA 25 16.008 -4.057 -5.230 206 HA ALA 25 HA ALA 25 17.548 -3.453 -6.893 207 1HB ALA 25 1HB ALA 25 15.618 -1.315 -6.729 208 2HB ALA 25 2HB ALA 25 17.212 -0.648 -7.081 209 3HB ALA 25 3HB ALA 25 16.520 -1.881 -8.134 Start of MODEL 11 1 1H MET 1 1H MET 1 -17.627 7.787 2.909 2 2H MET 1 2H MET 1 -16.318 8.537 2.127 3 3H MET 1 3H MET 1 -17.592 7.888 1.214 4 HA MET 1 HA MET 1 -16.775 5.806 1.284 5 1HB MET 1 1HB MET 1 -14.357 7.283 2.358 6 2HB MET 1 2HB MET 1 -14.364 5.879 1.290 7 1HG MET 1 1HG MET 1 -15.754 7.417 -0.305 8 2HG MET 1 2HG MET 1 -15.087 8.731 0.663 9 1HE MET 1 1HE MET 1 -13.711 9.971 -0.687 10 2HE MET 1 2HE MET 1 -12.552 9.418 -1.904 11 3HE MET 1 3HE MET 1 -14.279 9.172 -2.150 12 HA PRO 2 HA PRO 2 -17.119 5.215 5.871 13 1HB PRO 2 1HB PRO 2 -19.281 3.544 5.781 14 2HB PRO 2 2HB PRO 2 -19.431 5.311 5.844 15 1HG PRO 2 1HG PRO 2 -19.702 3.471 3.528 16 2HG PRO 2 2HG PRO 2 -20.593 4.952 3.906 17 1HD PRO 2 1HD PRO 2 -18.560 4.798 2.068 18 2HD PRO 2 2HD PRO 2 -19.041 6.289 2.906 19 H GLY 3 H GLY 3 -16.313 3.469 3.163 20 1HA GLY 3 1HA GLY 3 -16.170 0.822 4.446 21 2HA GLY 3 2HA GLY 3 -15.649 1.206 2.804 22 H THR 4 H THR 4 -14.370 0.035 5.459 23 HA THR 4 HA THR 4 -11.825 1.574 5.140 24 HB THR 4 HB THR 4 -13.038 1.930 7.357 25 HG1 THR 4 HG1 THR 4 -10.475 0.720 7.317 26 1HG2 THR 4 1HG2 THR 4 -13.752 -0.521 7.454 27 2HG2 THR 4 2HG2 THR 4 -12.092 -0.884 7.929 28 3HG2 THR 4 3HG2 THR 4 -13.094 0.151 8.947 29 H ILE 5 H ILE 5 -13.106 -1.128 4.157 30 HA ILE 5 HA ILE 5 -11.205 -3.093 5.224 31 HB ILE 5 HB ILE 5 -12.949 -3.461 2.787 32 1HG1 ILE 5 1HG1 ILE 5 -13.781 -3.818 5.684 33 2HG1 ILE 5 2HG1 ILE 5 -14.297 -2.478 4.658 34 1HG2 ILE 5 1HG2 ILE 5 -11.260 -5.115 4.453 35 2HG2 ILE 5 2HG2 ILE 5 -12.923 -5.701 4.503 36 3HG2 ILE 5 3HG2 ILE 5 -12.094 -5.536 2.956 37 1HD1 ILE 5 1HD1 ILE 5 -14.986 -4.452 3.018 38 2HD1 ILE 5 2HD1 ILE 5 -15.049 -5.371 4.522 39 3HD1 ILE 5 3HD1 ILE 5 -16.061 -3.940 4.319 40 H LYS 6 H LYS 6 -11.503 -1.007 2.418 41 HA LYS 6 HA LYS 6 -9.321 -2.344 0.978 42 1HB LYS 6 1HB LYS 6 -10.386 0.402 0.339 43 2HB LYS 6 2HB LYS 6 -9.732 -0.811 -0.760 44 1HG LYS 6 1HG LYS 6 -11.840 -2.164 0.352 45 2HG LYS 6 2HG LYS 6 -12.467 -0.516 0.295 46 1HD LYS 6 1HD LYS 6 -12.568 -0.503 -1.976 47 2HD LYS 6 2HD LYS 6 -11.031 -1.353 -2.141 48 1HE LYS 6 1HE LYS 6 -13.531 -2.774 -1.191 49 2HE LYS 6 2HE LYS 6 -13.109 -2.653 -2.911 50 1HZ LYS 6 1HZ LYS 6 -10.864 -3.483 -2.306 51 2HZ LYS 6 2HZ LYS 6 -11.430 -3.779 -0.735 52 3HZ LYS 6 3HZ LYS 6 -12.098 -4.624 -2.050 53 H GLU 7 H GLU 7 -9.786 0.732 2.730 54 HA GLU 7 HA GLU 7 -7.249 1.865 2.340 55 1HB GLU 7 1HB GLU 7 -9.340 2.703 3.708 56 2HB GLU 7 2HB GLU 7 -8.503 1.952 5.067 57 1HG GLU 7 1HG GLU 7 -6.431 3.292 4.017 58 2HG GLU 7 2HG GLU 7 -7.736 4.339 3.454 59 H ASN 8 H ASN 8 -8.105 -0.979 4.116 60 HA ASN 8 HA ASN 8 -5.604 -0.986 5.675 61 1HB ASN 8 1HB ASN 8 -7.805 -1.916 6.538 62 2HB ASN 8 2HB ASN 8 -7.616 -3.229 5.376 63 1HD2 ASN 8 2HD2 ASN 8 -5.279 -1.570 7.583 64 2HD2 ASN 8 1HD2 ASN 8 -4.714 -3.004 8.292 65 H ILE 9 H ILE 9 -7.036 -2.784 2.947 66 HA ILE 9 HA ILE 9 -4.645 -4.423 2.611 67 HB ILE 9 HB ILE 9 -6.817 -3.977 0.556 68 1HG1 ILE 9 1HG1 ILE 9 -7.964 -4.503 2.626 69 2HG1 ILE 9 2HG1 ILE 9 -7.925 -5.969 1.645 70 1HG2 ILE 9 1HG2 ILE 9 -4.764 -5.241 -0.091 71 2HG2 ILE 9 2HG2 ILE 9 -5.080 -6.374 1.224 72 3HG2 ILE 9 3HG2 ILE 9 -6.212 -6.247 -0.124 73 1HD1 ILE 9 1HD1 ILE 9 -5.535 -6.034 3.105 74 2HD1 ILE 9 2HD1 ILE 9 -6.751 -5.484 4.259 75 3HD1 ILE 9 3HD1 ILE 9 -6.974 -7.010 3.403 76 H ILE 10 H ILE 10 -5.997 -1.519 1.066 77 HA ILE 10 HA ILE 10 -4.215 -1.310 -1.111 78 HB ILE 10 HB ILE 10 -5.672 0.718 0.573 79 1HG1 ILE 10 1HG1 ILE 10 -6.127 0.946 -2.221 80 2HG1 ILE 10 2HG1 ILE 10 -6.118 -0.778 -1.844 81 1HG2 ILE 10 1HG2 ILE 10 -3.506 1.764 -0.054 82 2HG2 ILE 10 2HG2 ILE 10 -3.817 1.363 -1.743 83 3HG2 ILE 10 3HG2 ILE 10 -4.861 2.510 -0.901 84 1HD1 ILE 10 1HD1 ILE 10 -7.629 1.097 -0.055 85 2HD1 ILE 10 2HD1 ILE 10 -8.346 0.608 -1.591 86 3HD1 ILE 10 3HD1 ILE 10 -7.923 -0.609 -0.388 87 H GLY 11 H GLY 11 -3.784 -0.283 2.273 88 1HA GLY 11 1HA GLY 11 -1.256 0.979 1.960 89 2HA GLY 11 2HA GLY 11 -1.819 0.228 3.454 90 H VAL 12 H VAL 12 -2.138 -2.426 2.352 91 HA VAL 12 HA VAL 12 0.454 -3.491 2.800 92 HB VAL 12 HB VAL 12 -2.022 -4.607 1.472 93 1HG1 VAL 12 1HG1 VAL 12 0.707 -5.607 1.320 94 2HG1 VAL 12 2HG1 VAL 12 -0.351 -6.750 2.146 95 3HG1 VAL 12 3HG1 VAL 12 -0.745 -6.202 0.517 96 1HG2 VAL 12 1HG2 VAL 12 -1.456 -4.162 4.090 97 2HG2 VAL 12 2HG2 VAL 12 -2.484 -5.484 3.537 98 3HG2 VAL 12 3HG2 VAL 12 -0.785 -5.782 3.902 99 H SER 13 H SER 13 -1.235 -2.740 -0.253 100 HA SER 13 HA SER 13 1.101 -3.586 -1.830 101 1HB SER 13 1HB SER 13 -1.337 -3.809 -2.581 102 2HB SER 13 2HB SER 13 -1.316 -2.065 -2.828 103 HG SER 13 HG SER 13 0.726 -2.624 -4.069 104 H TYR 14 H TYR 14 -0.070 -0.708 -0.337 105 HA TYR 14 HA TYR 14 1.345 1.150 -2.090 106 1HB TYR 14 1HB TYR 14 -0.340 1.307 0.330 107 2HB TYR 14 2HB TYR 14 0.929 2.530 0.243 108 HD1 TYR 14 HD1 TYR 14 -0.940 0.882 -2.536 109 HD2 TYR 14 HD2 TYR 14 -0.207 4.515 -0.365 110 HE1 TYR 14 HE1 TYR 14 -2.277 2.145 -4.200 111 HE2 TYR 14 HE2 TYR 14 -1.543 5.779 -2.029 112 HH TYR 14 HH TYR 14 -3.445 4.176 -4.459 113 H ASP 15 H ASP 15 2.144 -0.807 0.656 114 HA ASP 15 HA ASP 15 4.436 0.753 1.526 115 1HB ASP 15 1HB ASP 15 3.757 -2.172 1.970 116 2HB ASP 15 2HB ASP 15 5.017 -1.278 2.822 117 H GLU 16 H GLU 16 4.165 -2.359 -0.241 118 HA GLU 16 HA GLU 16 6.875 -2.710 -0.870 119 1HB GLU 16 1HB GLU 16 4.471 -3.911 -1.624 120 2HB GLU 16 2HB GLU 16 5.150 -3.332 -3.144 121 1HG GLU 16 1HG GLU 16 5.970 -5.591 -2.690 122 2HG GLU 16 2HG GLU 16 7.304 -4.442 -2.571 123 H TYR 17 H TYR 17 4.441 -0.734 -2.540 124 HA TYR 17 HA TYR 17 6.204 0.099 -4.664 125 1HB TYR 17 1HB TYR 17 4.205 0.852 -5.407 126 2HB TYR 17 2HB TYR 17 3.484 0.587 -3.826 127 HD1 TYR 17 HD1 TYR 17 5.747 3.004 -5.587 128 HD2 TYR 17 HD2 TYR 17 2.672 2.428 -2.646 129 HE1 TYR 17 HE1 TYR 17 5.611 5.458 -5.251 130 HE2 TYR 17 HE2 TYR 17 2.533 4.883 -2.311 131 HH TYR 17 HH TYR 17 4.099 6.870 -2.636 132 H ARG 18 H ARG 18 5.009 1.949 -1.840 133 HA ARG 18 HA ARG 18 6.808 4.102 -2.023 134 1HB ARG 18 1HB ARG 18 4.854 3.488 -0.284 135 2HB ARG 18 2HB ARG 18 6.240 3.008 0.697 136 1HG ARG 18 1HG ARG 18 6.482 5.619 -0.692 137 2HG ARG 18 2HG ARG 18 5.300 5.546 0.616 138 1HD ARG 18 1HD ARG 18 7.087 4.548 2.079 139 2HD ARG 18 2HD ARG 18 8.244 4.851 0.784 140 HE ARG 18 HE ARG 18 7.624 7.303 1.044 141 1HH1 ARG 18 1HH1 ARG 18 5.504 6.210 3.151 142 2HH1 ARG 18 2HH1 ARG 18 6.222 6.836 4.597 143 1HH2 ARG 18 1HH2 ARG 18 9.248 7.592 3.082 144 2HH2 ARG 18 2HH2 ARG 18 8.342 7.618 4.558 145 H TYR 19 H TYR 19 7.344 0.806 -1.144 146 HA TYR 19 HA TYR 19 9.924 1.294 0.142 147 1HB TYR 19 1HB TYR 19 8.139 -1.014 -0.430 148 2HB TYR 19 2HB TYR 19 9.855 -1.361 -0.272 149 HD1 TYR 19 HD1 TYR 19 7.615 1.125 1.410 150 HD2 TYR 19 HD2 TYR 19 10.263 -2.225 1.853 151 HE1 TYR 19 HE1 TYR 19 7.424 1.299 3.879 152 HE2 TYR 19 HE2 TYR 19 10.074 -2.054 4.323 153 HH TYR 19 HH TYR 19 8.445 0.645 5.854 154 H ARG 20 H ARG 20 8.684 0.480 -3.035 155 HA ARG 20 HA ARG 20 11.268 -0.402 -4.075 156 1HB ARG 20 1HB ARG 20 8.518 -0.024 -5.126 157 2HB ARG 20 2HB ARG 20 9.822 0.171 -6.298 158 1HG ARG 20 1HG ARG 20 10.567 -2.090 -4.856 159 2HG ARG 20 2HG ARG 20 8.820 -2.264 -5.035 160 1HD ARG 20 1HD ARG 20 9.516 -1.426 -7.539 161 2HD ARG 20 2HD ARG 20 10.941 -2.361 -7.089 162 HE ARG 20 HE ARG 20 8.466 -3.774 -6.508 163 1HH1 ARG 20 1HH1 ARG 20 11.042 -5.017 -7.468 164 2HH1 ARG 20 2HH1 ARG 20 10.625 -5.489 -9.081 165 1HH2 ARG 20 1HH2 ARG 20 7.805 -3.476 -9.224 166 2HH2 ARG 20 2HH2 ARG 20 8.791 -4.619 -10.074 167 H SER 21 H SER 21 10.324 2.542 -3.054 168 HA SER 21 HA SER 21 11.683 3.975 -5.290 169 1HB SER 21 1HB SER 21 9.278 4.591 -4.530 170 2HB SER 21 2HB SER 21 10.076 5.328 -3.144 171 HG SER 21 HG SER 21 10.142 6.938 -4.553 172 H VAL 22 H VAL 22 11.741 3.412 -1.834 173 HA VAL 22 HA VAL 22 14.121 5.168 -1.645 174 HB VAL 22 HB VAL 22 13.222 5.941 0.252 175 1HG1 VAL 22 1HG1 VAL 22 11.165 5.635 -1.139 176 2HG1 VAL 22 2HG1 VAL 22 10.877 4.121 -0.283 177 3HG1 VAL 22 3HG1 VAL 22 10.852 5.649 0.597 178 1HG2 VAL 22 1HG2 VAL 22 12.671 3.075 1.070 179 2HG2 VAL 22 2HG2 VAL 22 14.084 4.027 1.524 180 3HG2 VAL 22 3HG2 VAL 22 12.489 4.475 2.127 181 H ILE 23 H ILE 23 12.887 1.935 -0.814 182 HA ILE 23 HA ILE 23 15.482 1.157 0.323 183 HB ILE 23 HB ILE 23 13.011 -0.487 -0.300 184 1HG1 ILE 23 1HG1 ILE 23 13.424 -0.307 2.460 185 2HG1 ILE 23 2HG1 ILE 23 13.751 1.322 1.866 186 1HG2 ILE 23 1HG2 ILE 23 15.534 -1.124 1.260 187 2HG2 ILE 23 2HG2 ILE 23 14.085 -2.132 1.250 188 3HG2 ILE 23 3HG2 ILE 23 15.003 -1.892 -0.237 189 1HD1 ILE 23 1HD1 ILE 23 11.310 -0.207 0.970 190 2HD1 ILE 23 2HD1 ILE 23 11.302 0.742 2.457 191 3HD1 ILE 23 3HD1 ILE 23 11.602 1.532 0.909 192 H LYS 24 H LYS 24 13.576 0.352 -2.591 193 HA LYS 24 HA LYS 24 16.095 -0.772 -3.752 194 1HB LYS 24 1HB LYS 24 13.335 -1.440 -4.759 195 2HB LYS 24 2HB LYS 24 14.830 -2.355 -4.949 196 1HG LYS 24 1HG LYS 24 14.362 -2.046 -2.152 197 2HG LYS 24 2HG LYS 24 12.858 -2.601 -2.888 198 1HD LYS 24 1HD LYS 24 14.006 -4.476 -3.934 199 2HD LYS 24 2HD LYS 24 15.564 -3.888 -3.351 200 1HE LYS 24 1HE LYS 24 14.433 -4.034 -0.979 201 2HE LYS 24 2HE LYS 24 13.326 -5.156 -1.793 202 1HZ LYS 24 1HZ LYS 24 15.625 -5.986 -2.789 203 2HZ LYS 24 2HZ LYS 24 16.190 -5.414 -1.296 204 3HZ LYS 24 3HZ LYS 24 14.985 -6.612 -1.345 205 H ALA 25 H ALA 25 16.433 -0.344 -6.048 206 HA ALA 25 HA ALA 25 16.581 1.168 -7.838 207 1HB ALA 25 1HB ALA 25 14.106 0.191 -7.877 208 2HB ALA 25 2HB ALA 25 13.692 1.859 -7.484 209 3HB ALA 25 3HB ALA 25 14.582 1.497 -8.962 Start of MODEL 12 1 1H MET 1 1H MET 1 -15.483 -1.947 12.871 2 2H MET 1 2H MET 1 -16.521 -3.277 12.703 3 3H MET 1 3H MET 1 -14.865 -3.446 12.363 4 HA MET 1 HA MET 1 -15.613 -3.213 10.231 5 1HB MET 1 1HB MET 1 -17.712 -1.967 9.784 6 2HB MET 1 2HB MET 1 -17.940 -3.172 11.051 7 1HG MET 1 1HG MET 1 -17.091 -0.921 12.444 8 2HG MET 1 2HG MET 1 -18.154 -0.260 11.203 9 1HE MET 1 1HE MET 1 -20.249 -1.394 10.501 10 2HE MET 1 2HE MET 1 -20.091 -3.105 10.891 11 3HE MET 1 3HE MET 1 -21.415 -2.154 11.580 12 HA PRO 2 HA PRO 2 -13.344 0.794 10.716 13 1HB PRO 2 1HB PRO 2 -11.029 -0.047 9.524 14 2HB PRO 2 2HB PRO 2 -11.350 -0.247 11.259 15 1HG PRO 2 1HG PRO 2 -11.545 -2.234 9.057 16 2HG PRO 2 2HG PRO 2 -11.001 -2.447 10.728 17 1HD PRO 2 1HD PRO 2 -13.477 -3.189 9.811 18 2HD PRO 2 2HD PRO 2 -13.118 -2.789 11.505 19 H GLY 3 H GLY 3 -14.475 -1.201 8.253 20 1HA GLY 3 1HA GLY 3 -14.955 -0.833 5.984 21 2HA GLY 3 2HA GLY 3 -14.912 0.883 6.387 22 H THR 4 H THR 4 -13.551 1.904 5.017 23 HA THR 4 HA THR 4 -11.765 2.222 3.512 24 HB THR 4 HB THR 4 -10.688 2.835 5.594 25 HG1 THR 4 HG1 THR 4 -8.746 2.661 4.788 26 1HG2 THR 4 1HG2 THR 4 -10.222 -0.140 5.928 27 2HG2 THR 4 2HG2 THR 4 -9.499 1.105 6.945 28 3HG2 THR 4 3HG2 THR 4 -11.247 0.882 6.934 29 H ILE 5 H ILE 5 -13.124 -0.312 3.231 30 HA ILE 5 HA ILE 5 -11.275 -2.490 2.985 31 HB ILE 5 HB ILE 5 -13.780 -2.049 1.339 32 1HG1 ILE 5 1HG1 ILE 5 -14.346 -3.727 3.517 33 2HG1 ILE 5 2HG1 ILE 5 -13.428 -2.389 4.207 34 1HG2 ILE 5 1HG2 ILE 5 -11.919 -4.022 1.136 35 2HG2 ILE 5 2HG2 ILE 5 -12.979 -4.712 2.366 36 3HG2 ILE 5 3HG2 ILE 5 -13.633 -4.263 0.790 37 1HD1 ILE 5 1HD1 ILE 5 -15.439 -1.543 2.238 38 2HD1 ILE 5 2HD1 ILE 5 -16.127 -2.326 3.659 39 3HD1 ILE 5 3HD1 ILE 5 -15.102 -0.903 3.845 40 H LYS 6 H LYS 6 -11.724 0.343 1.090 41 HA LYS 6 HA LYS 6 -10.137 -0.900 -1.122 42 1HB LYS 6 1HB LYS 6 -12.568 0.260 -1.404 43 2HB LYS 6 2HB LYS 6 -11.534 1.675 -1.607 44 1HG LYS 6 1HG LYS 6 -10.276 0.551 -3.374 45 2HG LYS 6 2HG LYS 6 -11.211 -0.925 -3.134 46 1HD LYS 6 1HD LYS 6 -13.218 0.875 -3.508 47 2HD LYS 6 2HD LYS 6 -11.960 1.576 -4.528 48 1HE LYS 6 1HE LYS 6 -11.677 -0.610 -5.673 49 2HE LYS 6 2HE LYS 6 -12.983 -1.283 -4.678 50 1HZ LYS 6 1HZ LYS 6 -13.360 1.228 -6.183 51 2HZ LYS 6 2HZ LYS 6 -13.602 -0.274 -6.938 52 3HZ LYS 6 3HZ LYS 6 -14.539 0.157 -5.591 53 H GLU 7 H GLU 7 -10.418 1.804 1.109 54 HA GLU 7 HA GLU 7 -8.174 3.266 -0.056 55 1HB GLU 7 1HB GLU 7 -10.113 3.661 2.095 56 2HB GLU 7 2HB GLU 7 -8.490 4.173 2.557 57 1HG GLU 7 1HG GLU 7 -9.404 4.961 -0.162 58 2HG GLU 7 2HG GLU 7 -10.176 5.777 1.198 59 H ASN 8 H ASN 8 -8.597 0.763 2.341 60 HA ASN 8 HA ASN 8 -5.931 1.153 3.502 61 1HB ASN 8 1HB ASN 8 -8.092 0.124 4.607 62 2HB ASN 8 2HB ASN 8 -7.536 -1.363 3.839 63 1HD2 ASN 8 1HD2 ASN 8 -5.003 -1.724 4.230 64 2HD2 ASN 8 2HD2 ASN 8 -4.478 -1.447 5.821 65 H ILE 9 H ILE 9 -7.396 -0.728 0.944 66 HA ILE 9 HA ILE 9 -5.063 -2.506 0.706 67 HB ILE 9 HB ILE 9 -7.329 -2.187 -1.273 68 1HG1 ILE 9 1HG1 ILE 9 -8.273 -2.570 0.972 69 2HG1 ILE 9 2HG1 ILE 9 -8.456 -4.010 -0.029 70 1HG2 ILE 9 1HG2 ILE 9 -5.188 -3.510 -1.795 71 2HG2 ILE 9 2HG2 ILE 9 -5.725 -4.649 -0.560 72 3HG2 ILE 9 3HG2 ILE 9 -6.715 -4.370 -1.993 73 1HD1 ILE 9 1HD1 ILE 9 -5.930 -4.254 1.193 74 2HD1 ILE 9 2HD1 ILE 9 -7.023 -3.707 2.465 75 3HD1 ILE 9 3HD1 ILE 9 -7.382 -5.180 1.564 76 H ILE 10 H ILE 10 -6.580 0.087 -1.238 77 HA ILE 10 HA ILE 10 -4.796 0.158 -3.377 78 HB ILE 10 HB ILE 10 -6.849 1.750 -2.529 79 1HG1 ILE 10 1HG1 ILE 10 -6.017 1.195 -4.836 80 2HG1 ILE 10 2HG1 ILE 10 -6.542 2.860 -4.639 81 1HG2 ILE 10 1HG2 ILE 10 -5.094 3.017 -1.122 82 2HG2 ILE 10 2HG2 ILE 10 -4.467 3.605 -2.661 83 3HG2 ILE 10 3HG2 ILE 10 -6.122 3.980 -2.181 84 1HD1 ILE 10 1HD1 ILE 10 -3.669 1.935 -4.428 85 2HD1 ILE 10 2HD1 ILE 10 -4.374 2.683 -5.860 86 3HD1 ILE 10 3HD1 ILE 10 -4.236 3.603 -4.362 87 H GLY 11 H GLY 11 -4.288 1.243 -0.075 88 1HA GLY 11 1HA GLY 11 -1.768 2.584 -0.645 89 2HA GLY 11 2HA GLY 11 -2.376 2.161 0.958 90 H VAL 12 H VAL 12 -2.792 -0.674 0.093 91 HA VAL 12 HA VAL 12 -0.375 -1.806 1.022 92 HB VAL 12 HB VAL 12 -2.579 -2.949 -0.713 93 1HG1 VAL 12 1HG1 VAL 12 -0.234 -4.369 0.587 94 2HG1 VAL 12 2HG1 VAL 12 -1.613 -5.170 -0.164 95 3HG1 VAL 12 3HG1 VAL 12 -0.514 -4.201 -1.145 96 1HG2 VAL 12 1HG2 VAL 12 -2.625 -2.244 1.912 97 2HG2 VAL 12 2HG2 VAL 12 -3.570 -3.579 1.253 98 3HG2 VAL 12 3HG2 VAL 12 -2.026 -3.898 2.045 99 H SER 13 H SER 13 -1.308 -0.736 -2.172 100 HA SER 13 HA SER 13 1.229 -1.857 -3.276 101 1HB SER 13 1HB SER 13 -1.361 -1.909 -4.300 102 2HB SER 13 2HB SER 13 -0.582 -0.613 -5.204 103 HG SER 13 HG SER 13 0.668 -3.113 -4.781 104 H TYR 14 H TYR 14 -0.036 0.966 -2.014 105 HA TYR 14 HA TYR 14 1.537 2.716 -3.833 106 1HB TYR 14 1HB TYR 14 -0.864 3.044 -2.236 107 2HB TYR 14 2HB TYR 14 0.323 4.292 -1.853 108 HD1 TYR 14 HD1 TYR 14 -0.112 2.512 -5.095 109 HD2 TYR 14 HD2 TYR 14 -0.595 6.200 -2.946 110 HE1 TYR 14 HE1 TYR 14 -0.650 3.677 -7.216 111 HE2 TYR 14 HE2 TYR 14 -1.132 7.365 -5.070 112 HH TYR 14 HH TYR 14 -0.406 6.368 -7.946 113 H ASP 15 H ASP 15 1.611 1.294 -0.674 114 HA ASP 15 HA ASP 15 3.718 3.178 0.236 115 1HB ASP 15 1HB ASP 15 3.481 2.161 2.401 116 2HB ASP 15 2HB ASP 15 1.848 2.389 1.774 117 H GLU 16 H GLU 16 3.263 -0.309 -0.404 118 HA GLU 16 HA GLU 16 5.899 -1.149 0.204 119 1HB GLU 16 1HB GLU 16 3.585 -2.243 -1.104 120 2HB GLU 16 2HB GLU 16 5.013 -2.610 -2.068 121 1HG GLU 16 1HG GLU 16 5.263 -4.343 -0.611 122 2HG GLU 16 2HG GLU 16 5.948 -3.111 0.449 123 H TYR 17 H TYR 17 4.542 0.071 -2.871 124 HA TYR 17 HA TYR 17 6.947 -0.162 -4.387 125 1HB TYR 17 1HB TYR 17 5.651 0.718 -6.024 126 2HB TYR 17 2HB TYR 17 4.346 0.761 -4.845 127 HD1 TYR 17 HD1 TYR 17 7.308 2.759 -5.984 128 HD2 TYR 17 HD2 TYR 17 3.357 2.802 -4.307 129 HE1 TYR 17 HE1 TYR 17 7.285 5.238 -6.104 130 HE2 TYR 17 HE2 TYR 17 3.330 5.282 -4.428 131 HH TYR 17 HH TYR 17 4.939 7.051 -6.197 132 H ARG 18 H ARG 18 5.580 2.695 -2.734 133 HA ARG 18 HA ARG 18 7.803 4.411 -3.029 134 1HB ARG 18 1HB ARG 18 5.373 4.452 -1.605 135 2HB ARG 18 2HB ARG 18 6.626 4.670 -0.384 136 1HG ARG 18 1HG ARG 18 7.366 6.254 -2.625 137 2HG ARG 18 2HG ARG 18 5.660 6.571 -2.308 138 1HD ARG 18 1HD ARG 18 6.219 7.837 -0.537 139 2HD ARG 18 2HD ARG 18 7.018 6.452 0.205 140 HE ARG 18 HE ARG 18 9.059 7.149 -1.170 141 1HH1 ARG 18 1HH1 ARG 18 7.841 9.372 -2.691 142 2HH1 ARG 18 2HH1 ARG 18 8.261 10.761 -1.744 143 1HH2 ARG 18 1HH2 ARG 18 9.034 8.923 1.091 144 2HH2 ARG 18 2HH2 ARG 18 8.930 10.506 0.398 145 H TYR 19 H TYR 19 7.386 1.567 -1.140 146 HA TYR 19 HA TYR 19 9.672 2.118 0.629 147 1HB TYR 19 1HB TYR 19 7.510 0.088 0.386 148 2HB TYR 19 2HB TYR 19 9.020 -0.446 1.106 149 HD1 TYR 19 HD1 TYR 19 8.116 3.076 1.380 150 HD2 TYR 19 HD2 TYR 19 7.838 -0.769 3.275 151 HE1 TYR 19 HE1 TYR 19 7.481 4.172 3.514 152 HE2 TYR 19 HE2 TYR 19 7.206 0.327 5.409 153 HH TYR 19 HH TYR 19 6.078 2.609 6.035 154 H ARG 20 H ARG 20 9.068 0.790 -2.452 155 HA ARG 20 HA ARG 20 11.105 -1.254 -2.490 156 1HB ARG 20 1HB ARG 20 9.200 -1.150 -4.092 157 2HB ARG 20 2HB ARG 20 9.918 0.293 -4.810 158 1HG ARG 20 1HG ARG 20 11.998 -1.591 -4.703 159 2HG ARG 20 2HG ARG 20 10.584 -2.490 -5.256 160 1HD ARG 20 1HD ARG 20 10.190 -0.597 -6.916 161 2HD ARG 20 2HD ARG 20 11.795 -0.007 -6.486 162 HE ARG 20 HE ARG 20 12.401 -2.544 -7.139 163 1HH1 ARG 20 1HH2 ARG 20 12.389 -0.085 -9.076 164 2HH1 ARG 20 2HH2 ARG 20 11.640 -0.809 -10.460 165 1HH2 ARG 20 1HH1 ARG 20 10.500 -3.586 -8.722 166 2HH2 ARG 20 2HH1 ARG 20 10.571 -2.791 -10.260 167 H SER 21 H SER 21 11.117 2.221 -3.152 168 HA SER 21 HA SER 21 13.921 2.028 -4.088 169 1HB SER 21 1HB SER 21 12.055 3.531 -5.142 170 2HB SER 21 2HB SER 21 12.414 4.609 -3.796 171 HG SER 21 HG SER 21 14.330 3.553 -5.610 172 H VAL 22 H VAL 22 12.997 1.618 -1.244 173 HA VAL 22 HA VAL 22 15.008 3.371 -0.012 174 HB VAL 22 HB VAL 22 13.217 4.748 0.423 175 1HG1 VAL 22 1HG1 VAL 22 11.599 2.237 0.256 176 2HG1 VAL 22 2HG1 VAL 22 10.910 3.671 1.013 177 3HG1 VAL 22 3HG1 VAL 22 11.440 3.728 -0.667 178 1HG2 VAL 22 1HG2 VAL 22 14.108 3.327 2.572 179 2HG2 VAL 22 2HG2 VAL 22 12.971 4.669 2.695 180 3HG2 VAL 22 3HG2 VAL 22 12.375 3.010 2.661 181 H ILE 23 H ILE 23 12.654 0.725 0.377 182 HA ILE 23 HA ILE 23 14.438 -0.440 2.471 183 HB ILE 23 HB ILE 23 11.496 -0.860 1.874 184 1HG1 ILE 23 1HG1 ILE 23 12.498 -0.185 4.580 185 2HG1 ILE 23 2HG1 ILE 23 12.703 1.078 3.365 186 1HG2 ILE 23 1HG2 ILE 23 13.388 -2.352 3.704 187 2HG2 ILE 23 2HG2 ILE 23 11.642 -2.355 3.945 188 3HG2 ILE 23 3HG2 ILE 23 12.327 -3.021 2.462 189 1HD1 ILE 23 1HD1 ILE 23 10.067 -0.348 3.628 190 2HD1 ILE 23 2HD1 ILE 23 10.466 0.984 4.713 191 3HD1 ILE 23 3HD1 ILE 23 10.399 1.254 2.970 192 H LYS 24 H LYS 24 12.224 -1.585 -0.111 193 HA LYS 24 HA LYS 24 13.862 -4.006 -0.441 194 1HB LYS 24 1HB LYS 24 11.332 -2.994 -1.757 195 2HB LYS 24 2HB LYS 24 12.153 -4.462 -2.288 196 1HG LYS 24 1HG LYS 24 12.033 -4.776 0.462 197 2HG LYS 24 2HG LYS 24 10.487 -4.017 0.078 198 1HD LYS 24 1HD LYS 24 10.174 -6.398 -0.112 199 2HD LYS 24 2HD LYS 24 10.204 -5.744 -1.750 200 1HE LYS 24 1HE LYS 24 11.667 -7.594 -1.910 201 2HE LYS 24 2HE LYS 24 12.788 -6.250 -1.610 202 1HZ LYS 24 1HZ LYS 24 11.997 -6.889 0.877 203 2HZ LYS 24 2HZ LYS 24 12.008 -8.419 0.139 204 3HZ LYS 24 3HZ LYS 24 13.417 -7.468 0.152 205 H ALA 25 H ALA 25 14.068 -4.531 -3.032 206 HA ALA 25 HA ALA 25 14.775 -2.270 -4.694 207 1HB ALA 25 1HB ALA 25 16.927 -3.710 -3.162 208 2HB ALA 25 2HB ALA 25 17.274 -3.046 -4.759 209 3HB ALA 25 3HB ALA 25 16.746 -1.982 -3.456 Start of MODEL 13 1 1H MET 1 1H MET 1 -18.966 1.019 8.964 2 2H MET 1 2H MET 1 -19.639 2.574 8.895 3 3H MET 1 3H MET 1 -20.088 1.404 7.748 4 HA MET 1 HA MET 1 -18.579 2.755 6.595 5 1HB MET 1 1HB MET 1 -17.981 3.803 8.866 6 2HB MET 1 2HB MET 1 -16.752 2.543 8.996 7 1HG MET 1 1HG MET 1 -16.231 3.420 6.493 8 2HG MET 1 2HG MET 1 -16.852 4.909 7.203 9 1HE MET 1 1HE MET 1 -15.289 6.410 7.458 10 2HE MET 1 2HE MET 1 -13.654 6.287 8.104 11 3HE MET 1 3HE MET 1 -14.030 5.622 6.510 12 HA PRO 2 HA PRO 2 -16.841 -1.500 6.239 13 1HB PRO 2 1HB PRO 2 -17.943 -2.074 3.809 14 2HB PRO 2 2HB PRO 2 -18.794 -2.346 5.343 15 1HG PRO 2 1HG PRO 2 -19.151 -0.195 3.343 16 2HG PRO 2 2HG PRO 2 -20.335 -0.954 4.415 17 1HD PRO 2 1HD PRO 2 -19.148 1.531 4.812 18 2HD PRO 2 2HD PRO 2 -19.986 0.573 6.050 19 H GLY 3 H GLY 3 -16.199 1.436 5.031 20 1HA GLY 3 1HA GLY 3 -14.699 0.639 2.626 21 2HA GLY 3 2HA GLY 3 -14.818 2.273 3.279 22 H THR 4 H THR 4 -13.904 -0.549 5.196 23 HA THR 4 HA THR 4 -11.414 0.806 5.959 24 HB THR 4 HB THR 4 -12.599 -0.321 7.730 25 HG1 THR 4 HG1 THR 4 -10.653 -0.814 8.321 26 1HG2 THR 4 1HG2 THR 4 -13.108 -2.245 5.647 27 2HG2 THR 4 2HG2 THR 4 -12.425 -3.061 7.054 28 3HG2 THR 4 3HG2 THR 4 -13.888 -2.090 7.222 29 H ILE 5 H ILE 5 -12.409 -1.420 3.580 30 HA ILE 5 HA ILE 5 -9.682 -2.577 3.316 31 HB ILE 5 HB ILE 5 -12.169 -3.222 1.707 32 1HG1 ILE 5 1HG1 ILE 5 -11.053 -4.566 4.191 33 2HG1 ILE 5 2HG1 ILE 5 -12.564 -3.662 4.099 34 1HG2 ILE 5 1HG2 ILE 5 -9.864 -3.829 0.815 35 2HG2 ILE 5 2HG2 ILE 5 -9.693 -4.886 2.216 36 3HG2 ILE 5 3HG2 ILE 5 -10.969 -5.186 1.037 37 1HD1 ILE 5 1HD1 ILE 5 -12.244 -5.826 2.100 38 2HD1 ILE 5 2HD1 ILE 5 -12.420 -6.352 3.774 39 3HD1 ILE 5 3HD1 ILE 5 -13.667 -5.352 3.028 40 H LYS 6 H LYS 6 -11.753 -0.172 1.974 41 HA LYS 6 HA LYS 6 -10.078 0.012 -0.484 42 1HB LYS 6 1HB LYS 6 -12.854 0.462 0.078 43 2HB LYS 6 2HB LYS 6 -12.138 1.984 -0.452 44 1HG LYS 6 1HG LYS 6 -11.159 0.801 -2.417 45 2HG LYS 6 2HG LYS 6 -11.992 -0.669 -1.910 46 1HD LYS 6 1HD LYS 6 -13.674 0.092 -3.240 47 2HD LYS 6 2HD LYS 6 -14.043 1.141 -1.870 48 1HE LYS 6 1HE LYS 6 -12.575 2.903 -2.842 49 2HE LYS 6 2HE LYS 6 -12.295 1.860 -4.250 50 1HZ LYS 6 1HZ LYS 6 -14.749 1.706 -4.481 51 2HZ LYS 6 2HZ LYS 6 -14.903 2.897 -3.279 52 3HZ LYS 6 3HZ LYS 6 -14.139 3.270 -4.748 53 H GLU 7 H GLU 7 -9.483 0.935 2.424 54 HA GLU 7 HA GLU 7 -8.547 3.646 1.610 55 1HB GLU 7 1HB GLU 7 -10.564 3.944 3.002 56 2HB GLU 7 2HB GLU 7 -9.833 2.959 4.271 57 1HG GLU 7 1HG GLU 7 -7.946 4.974 3.544 58 2HG GLU 7 2HG GLU 7 -9.503 5.762 3.802 59 H ASN 8 H ASN 8 -8.247 0.923 3.873 60 HA ASN 8 HA ASN 8 -5.524 1.834 4.613 61 1HB ASN 8 1HB ASN 8 -7.130 0.971 6.352 62 2HB ASN 8 2HB ASN 8 -7.033 -0.612 5.578 63 1HD2 ASN 8 2HD2 ASN 8 -5.058 1.852 7.265 64 2HD2 ASN 8 1HD2 ASN 8 -3.827 0.778 7.724 65 H ILE 9 H ILE 9 -7.075 -1.141 3.352 66 HA ILE 9 HA ILE 9 -4.697 -2.543 2.745 67 HB ILE 9 HB ILE 9 -7.241 -2.608 1.097 68 1HG1 ILE 9 1HG1 ILE 9 -7.834 -2.842 3.454 69 2HG1 ILE 9 2HG1 ILE 9 -7.924 -4.427 2.683 70 1HG2 ILE 9 1HG2 ILE 9 -4.773 -4.012 0.953 71 2HG2 ILE 9 2HG2 ILE 9 -5.973 -5.143 1.577 72 3HG2 ILE 9 3HG2 ILE 9 -6.248 -4.326 0.038 73 1HD1 ILE 9 1HD1 ILE 9 -5.257 -4.172 3.542 74 2HD1 ILE 9 2HD1 ILE 9 -6.238 -3.561 4.875 75 3HD1 ILE 9 3HD1 ILE 9 -6.507 -5.191 4.258 76 H ILE 10 H ILE 10 -6.100 0.230 1.224 77 HA ILE 10 HA ILE 10 -4.881 -0.082 -1.372 78 HB ILE 10 HB ILE 10 -5.952 2.298 0.155 79 1HG1 ILE 10 1HG1 ILE 10 -6.835 0.826 -2.350 80 2HG1 ILE 10 2HG1 ILE 10 -7.582 0.693 -0.757 81 1HG2 ILE 10 1HG2 ILE 10 -4.081 3.071 -1.263 82 2HG2 ILE 10 2HG2 ILE 10 -4.799 2.255 -2.653 83 3HG2 ILE 10 3HG2 ILE 10 -5.630 3.620 -1.906 84 1HD1 ILE 10 1HD1 ILE 10 -7.808 3.297 -0.934 85 2HD1 ILE 10 2HD1 ILE 10 -7.600 3.019 -2.663 86 3HD1 ILE 10 3HD1 ILE 10 -8.950 2.276 -1.806 87 H GLY 11 H GLY 11 -3.883 1.593 1.615 88 1HA GLY 11 1HA GLY 11 -1.442 2.652 0.536 89 2HA GLY 11 2HA GLY 11 -1.780 2.422 2.253 90 H VAL 12 H VAL 12 -2.319 -0.457 1.932 91 HA VAL 12 HA VAL 12 0.280 -1.484 2.432 92 HB VAL 12 HB VAL 12 -2.305 -2.820 1.605 93 1HG1 VAL 12 1HG1 VAL 12 -0.333 -4.158 0.844 94 2HG1 VAL 12 2HG1 VAL 12 0.261 -4.167 2.505 95 3HG1 VAL 12 3HG1 VAL 12 -1.261 -4.965 2.107 96 1HG2 VAL 12 1HG2 VAL 12 -1.675 -1.674 3.950 97 2HG2 VAL 12 2HG2 VAL 12 -2.644 -3.144 3.863 98 3HG2 VAL 12 3HG2 VAL 12 -0.919 -3.246 4.214 99 H SER 13 H SER 13 -1.490 -1.044 -0.565 100 HA SER 13 HA SER 13 0.436 -2.656 -2.102 101 1HB SER 13 1HB SER 13 -1.977 -0.996 -2.842 102 2HB SER 13 2HB SER 13 -0.913 -1.687 -4.065 103 HG SER 13 HG SER 13 -2.452 -3.015 -2.089 104 H TYR 14 H TYR 14 -0.256 0.740 -1.446 105 HA TYR 14 HA TYR 14 1.638 1.739 -3.413 106 1HB TYR 14 1HB TYR 14 -0.372 2.849 -1.782 107 2HB TYR 14 2HB TYR 14 1.135 3.585 -1.237 108 HD1 TYR 14 HD1 TYR 14 -1.095 3.059 -4.145 109 HD2 TYR 14 HD2 TYR 14 2.413 5.053 -2.670 110 HE1 TYR 14 HE1 TYR 14 -1.080 4.517 -6.151 111 HE2 TYR 14 HE2 TYR 14 2.428 6.511 -4.676 112 HH TYR 14 HH TYR 14 0.467 5.879 -7.421 113 H ASP 15 H ASP 15 1.783 0.721 -0.074 114 HA ASP 15 HA ASP 15 4.210 2.017 0.681 115 1HB ASP 15 1HB ASP 15 2.576 -0.235 1.654 116 2HB ASP 15 2HB ASP 15 4.293 -0.378 2.030 117 H GLU 16 H GLU 16 3.627 -1.158 -0.843 118 HA GLU 16 HA GLU 16 6.349 -1.990 -0.953 119 1HB GLU 16 1HB GLU 16 3.841 -2.916 -1.939 120 2HB GLU 16 2HB GLU 16 4.957 -2.869 -3.305 121 1HG GLU 16 1HG GLU 16 6.023 -4.696 -2.544 122 2HG GLU 16 2HG GLU 16 6.329 -3.906 -0.997 123 H TYR 17 H TYR 17 4.398 -0.053 -3.215 124 HA TYR 17 HA TYR 17 6.452 0.173 -5.224 125 1HB TYR 17 1HB TYR 17 4.376 2.299 -4.727 126 2HB TYR 17 2HB TYR 17 5.037 1.739 -6.264 127 HD1 TYR 17 HD1 TYR 17 4.873 -1.285 -5.362 128 HD2 TYR 17 HD2 TYR 17 2.062 1.959 -5.465 129 HE1 TYR 17 HE1 TYR 17 3.009 -2.907 -5.584 130 HE2 TYR 17 HE2 TYR 17 0.195 0.338 -5.688 131 HH TYR 17 HH TYR 17 -0.358 -1.799 -5.953 132 H ARG 18 H ARG 18 5.524 2.191 -2.451 133 HA ARG 18 HA ARG 18 7.678 4.109 -2.975 134 1HB ARG 18 1HB ARG 18 5.315 4.202 -1.533 135 2HB ARG 18 2HB ARG 18 6.536 4.076 -0.268 136 1HG ARG 18 1HG ARG 18 7.588 5.909 -2.122 137 2HG ARG 18 2HG ARG 18 5.886 6.343 -1.953 138 1HD ARG 18 1HD ARG 18 6.781 7.522 -0.169 139 2HD ARG 18 2HD ARG 18 6.403 5.994 0.628 140 HE ARG 18 HE ARG 18 9.001 5.669 -0.326 141 1HH1 ARG 18 1HH1 ARG 18 8.607 8.741 0.411 142 2HH1 ARG 18 2HH1 ARG 18 9.405 8.747 1.948 143 1HH2 ARG 18 1HH2 ARG 18 9.477 5.290 2.220 144 2HH2 ARG 18 2HH2 ARG 18 9.896 6.794 2.973 145 H TYR 19 H TYR 19 7.809 1.010 -2.098 146 HA TYR 19 HA TYR 19 9.792 1.318 0.088 147 1HB TYR 19 1HB TYR 19 7.991 -0.839 -0.937 148 2HB TYR 19 2HB TYR 19 9.500 -1.322 -0.184 149 HD1 TYR 19 HD1 TYR 19 8.188 1.831 0.969 150 HD2 TYR 19 HD2 TYR 19 7.981 -2.419 1.544 151 HE1 TYR 19 HE1 TYR 19 7.197 2.183 3.218 152 HE2 TYR 19 HE2 TYR 19 6.992 -2.071 3.792 153 HH TYR 19 HH TYR 19 7.193 0.401 5.527 154 H ARG 20 H ARG 20 9.332 -0.134 -3.128 155 HA ARG 20 HA ARG 20 11.867 -1.330 -3.436 156 1HB ARG 20 1HB ARG 20 9.959 -0.098 -5.430 157 2HB ARG 20 2HB ARG 20 11.451 -0.894 -5.931 158 1HG ARG 20 1HG ARG 20 10.652 -2.888 -4.501 159 2HG ARG 20 2HG ARG 20 9.075 -2.098 -4.512 160 1HD ARG 20 1HD ARG 20 9.383 -3.787 -6.357 161 2HD ARG 20 2HD ARG 20 8.982 -2.167 -6.927 162 HE ARG 20 HE ARG 20 11.810 -3.139 -6.880 163 1HH1 ARG 20 1HH2 ARG 20 10.428 -3.852 -9.376 164 2HH1 ARG 20 2HH2 ARG 20 10.683 -2.464 -10.380 165 1HH2 ARG 20 1HH1 ARG 20 11.573 -0.393 -7.745 166 2HH2 ARG 20 2HH1 ARG 20 11.333 -0.506 -9.456 167 H SER 21 H SER 21 10.899 2.049 -3.848 168 HA SER 21 HA SER 21 13.512 2.782 -4.951 169 1HB SER 21 1HB SER 21 11.391 3.956 -5.596 170 2HB SER 21 2HB SER 21 11.303 4.593 -3.956 171 HG SER 21 HG SER 21 13.107 5.159 -6.026 172 H VAL 22 H VAL 22 12.876 1.774 -2.017 173 HA VAL 22 HA VAL 22 14.843 3.586 -0.792 174 HB VAL 22 HB VAL 22 13.069 4.690 0.082 175 1HG1 VAL 22 1HG1 VAL 22 11.448 2.163 -0.183 176 2HG1 VAL 22 2HG1 VAL 22 10.819 3.698 0.406 177 3HG1 VAL 22 3HG1 VAL 22 11.402 3.562 -1.252 178 1HG2 VAL 22 1HG2 VAL 22 14.149 3.023 1.906 179 2HG2 VAL 22 2HG2 VAL 22 12.863 4.161 2.309 180 3HG2 VAL 22 3HG2 VAL 22 12.474 2.476 1.970 181 H ILE 23 H ILE 23 12.693 1.143 0.677 182 HA ILE 23 HA ILE 23 14.561 -0.113 2.276 183 HB ILE 23 HB ILE 23 12.222 -1.285 0.757 184 1HG1 ILE 23 1HG1 ILE 23 11.857 -1.392 3.536 185 2HG1 ILE 23 2HG1 ILE 23 12.633 0.165 3.248 186 1HG2 ILE 23 1HG2 ILE 23 14.371 -2.661 2.141 187 2HG2 ILE 23 2HG2 ILE 23 12.827 -2.938 2.947 188 3HG2 ILE 23 3HG2 ILE 23 13.015 -3.340 1.240 189 1HD1 ILE 23 1HD1 ILE 23 10.763 -0.026 1.196 190 2HD1 ILE 23 2HD1 ILE 23 9.925 -0.702 2.593 191 3HD1 ILE 23 3HD1 ILE 23 10.589 0.929 2.668 192 H LYS 24 H LYS 24 14.256 -0.331 -1.191 193 HA LYS 24 HA LYS 24 16.480 -2.335 -1.214 194 1HB LYS 24 1HB LYS 24 14.052 -2.019 -2.851 195 2HB LYS 24 2HB LYS 24 15.522 -2.284 -3.789 196 1HG LYS 24 1HG LYS 24 16.006 -4.324 -2.623 197 2HG LYS 24 2HG LYS 24 14.756 -4.005 -1.421 198 1HD LYS 24 1HD LYS 24 13.075 -4.722 -2.784 199 2HD LYS 24 2HD LYS 24 13.819 -4.030 -4.226 200 1HE LYS 24 1HE LYS 24 13.797 -6.523 -4.312 201 2HE LYS 24 2HE LYS 24 15.457 -5.895 -4.272 202 1HZ LYS 24 1HZ LYS 24 13.931 -6.606 -1.830 203 2HZ LYS 24 2HZ LYS 24 14.968 -7.695 -2.613 204 3HZ LYS 24 3HZ LYS 24 15.589 -6.258 -1.951 205 H ALA 25 H ALA 25 15.459 -0.344 -3.935 206 HA ALA 25 HA ALA 25 18.156 0.941 -3.868 207 1HB ALA 25 1HB ALA 25 16.487 -0.176 -6.013 208 2HB ALA 25 2HB ALA 25 17.122 1.428 -6.382 209 3HB ALA 25 3HB ALA 25 18.226 0.113 -5.978
Contact the webmaster for help, if required. Tuesday, May 7, 2024 10:18:31 AM GMT (wattos1)