NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21022 | 2gx1 | 7186 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 -11.586 4.866 -4.415 2 2H GLY 1 2HT GLY 1 -11.723 3.882 -5.789 3 3H GLY 1 3HT GLY 1 -10.190 4.342 -5.220 4 1HA GLY 1 2HA GLY 1 -11.433 3.126 -3.070 5 2HA GLY 1 1HA GLY 1 -11.786 2.116 -4.472 6 H CYS 2 H CYS 2 -10.225 0.685 -5.055 7 HA CYS 2 HA CYS 2 -7.792 0.312 -3.613 8 1HB CYS 2 2HB CYS 2 -9.178 -1.273 -5.109 9 2HB CYS 2 1HB CYS 2 -8.321 -0.549 -6.468 10 H LYS 3 H LYS 3 -5.627 0.910 -4.079 11 HA LYS 3 HA LYS 3 -5.175 2.715 -6.429 12 1HB LYS 3 2HB LYS 3 -4.056 3.189 -3.647 13 2HB LYS 3 1HB LYS 3 -4.054 4.293 -5.019 14 1HG LYS 3 2HG LYS 3 -6.652 4.076 -4.908 15 2HG LYS 3 1HG LYS 3 -6.364 3.486 -3.275 16 1HD LYS 3 2HD LYS 3 -4.821 5.646 -3.131 17 2HD LYS 3 1HD LYS 3 -5.891 6.206 -4.418 18 1HE LYS 3 2HE LYS 3 -7.142 6.903 -2.594 19 2HE LYS 3 1HE LYS 3 -7.755 5.240 -2.715 20 1HZ LYS 3 1HZ LYS 3 -5.767 4.607 -1.286 21 2HZ LYS 3 2HZ LYS 3 -7.017 5.455 -0.506 22 3HZ LYS 3 3HZ LYS 3 -5.594 6.273 -0.956 23 H LEU 4 H LEU 4 -2.643 3.174 -6.453 24 HA LEU 4 HA LEU 4 -1.340 0.523 -6.580 25 1HB LEU 4 2HB LEU 4 -0.801 3.279 -7.707 26 2HB LEU 4 1HB LEU 4 0.356 1.972 -7.885 27 HG LEU 4 HG LEU 4 -0.942 1.928 -9.869 28 1HD1 LEU 4 1HD1 LEU 4 -1.805 -0.244 -9.860 29 2HD1 LEU 4 2HD1 LEU 4 -2.419 -0.096 -8.214 30 3HD1 LEU 4 3HD1 LEU 4 -0.686 -0.268 -8.497 31 1HD2 LEU 4 1HD2 LEU 4 -2.858 3.209 -8.415 32 2HD2 LEU 4 2HD2 LEU 4 -3.579 1.611 -8.581 33 3HD2 LEU 4 3HD2 LEU 4 -3.131 2.526 -10.018 34 H THR 5 H THR 5 1.294 2.254 -6.467 35 HA THR 5 HA THR 5 1.832 1.731 -3.647 36 HB THR 5 HB THR 5 3.809 3.075 -5.435 37 HG1 THR 5 1HG THR 5 4.082 0.900 -6.445 38 1HG2 THR 5 1HG2 THR 5 3.732 0.867 -3.417 39 2HG2 THR 5 2HG2 THR 5 4.796 2.269 -3.501 40 3HG2 THR 5 3HG2 THR 5 5.051 0.905 -4.587 41 H PHE 6 H PHE 6 2.807 4.616 -5.535 42 HA PHE 6 HA PHE 6 2.744 6.301 -3.192 43 1HB PHE 6 2HB PHE 6 3.780 6.316 -5.833 44 2HB PHE 6 1HB PHE 6 2.791 7.769 -5.674 45 HD1 PHE 6 1HD PHE 6 4.004 9.651 -5.025 46 HD2 PHE 6 2HD PHE 6 5.077 5.799 -3.414 47 HE1 PHE 6 1HE PHE 6 5.790 10.708 -3.677 48 HE2 PHE 6 2HE PHE 6 6.856 6.860 -2.063 49 HZ PHE 6 HZ PHE 6 7.216 9.315 -2.195 50 H TRP 7 H TRP 7 0.097 5.181 -3.615 51 HA TRP 7 HA TRP 7 -1.484 7.565 -4.475 52 1HB TRP 7 2HB TRP 7 -2.063 4.613 -4.097 53 2HB TRP 7 1HB TRP 7 -3.332 5.802 -4.374 54 HD1 TRP 7 HD TRP 7 0.129 5.311 -6.032 55 HE1 TRP 7 1HE TRP 7 -0.201 5.312 -8.585 56 HE3 TRP 7 3HE TRP 7 -4.949 5.760 -6.255 57 HZ2 TRP 7 2HZ TRP 7 -2.339 5.463 -10.478 58 HZ3 TRP 7 3HZ TRP 7 -6.107 5.820 -8.450 59 HH2 TRP 7 HH TRP 7 -4.808 5.674 -10.559 60 H LYS 8 H LYS 8 -2.045 8.834 -2.718 61 HA LYS 8 HA LYS 8 -1.598 8.506 -0.055 62 1HB LYS 8 2HB LYS 8 -2.667 10.445 -1.313 63 2HB LYS 8 1HB LYS 8 -4.202 9.587 -1.177 64 1HG LYS 8 2HG LYS 8 -4.238 10.993 0.693 65 2HG LYS 8 1HG LYS 8 -3.641 9.476 1.359 66 1HD LYS 8 2HD LYS 8 -1.287 10.370 0.917 67 2HD LYS 8 1HD LYS 8 -2.042 11.939 0.637 68 1HE LYS 8 2HE LYS 8 -2.246 12.299 2.866 69 2HE LYS 8 1HE LYS 8 -3.061 10.736 3.087 70 1HZ LYS 8 1HZ LYS 8 -1.018 10.575 4.238 71 2HZ LYS 8 2HZ LYS 8 -0.144 11.265 2.958 72 3HZ LYS 8 3HZ LYS 8 -0.794 9.698 2.798 73 H CYS 9 H CYS 9 -1.863 6.495 0.901 74 HA CYS 9 HA CYS 9 -4.585 5.249 0.750 75 1HB CYS 9 2HB CYS 9 -3.257 3.222 1.608 76 2HB CYS 9 1HB CYS 9 -2.918 3.750 -0.037 77 H LYS 10 H LYS 10 -5.445 4.278 2.710 78 HA LYS 10 HA LYS 10 -4.823 5.897 5.140 79 1HB LYS 10 2HB LYS 10 -7.063 4.094 4.185 80 2HB LYS 10 1HB LYS 10 -6.956 4.565 5.880 81 1HG LYS 10 2HG LYS 10 -6.649 6.994 4.708 82 2HG LYS 10 1HG LYS 10 -7.659 6.202 3.498 83 1HD LYS 10 2HD LYS 10 -8.544 5.741 6.276 84 2HD LYS 10 1HD LYS 10 -8.614 7.430 5.775 85 1HE LYS 10 2HE LYS 10 -10.744 6.317 5.237 86 2HE LYS 10 1HE LYS 10 -9.901 6.726 3.731 87 1HZ LYS 10 1HZ LYS 10 -9.237 4.157 4.954 88 2HZ LYS 10 2HZ LYS 10 -9.393 4.571 3.316 89 3HZ LYS 10 3HZ LYS 10 -10.772 4.276 4.254 90 H ASN 11 H ASN 11 -5.417 2.491 4.271 91 HA ASN 11 HA ASN 11 -3.553 1.650 6.459 92 1HB ASN 11 2HB ASN 11 -4.967 -0.393 6.545 93 2HB ASN 11 1HB ASN 11 -5.904 1.066 6.857 94 1HD2 ASN 11 1HD2 ASN 11 -6.188 -1.784 5.258 95 2HD2 ASN 11 2HD2 ASN 11 -7.150 -1.298 3.949 96 H LYS 12 H LYS 12 -2.705 -0.722 5.850 97 HA LYS 12 HA LYS 12 -1.346 -0.434 3.272 98 1HB LYS 12 2HB LYS 12 0.013 -2.200 4.102 99 2HB LYS 12 1HB LYS 12 -0.394 -1.225 5.506 100 1HG LYS 12 2HG LYS 12 -2.237 -2.804 6.038 101 2HG LYS 12 1HG LYS 12 -1.751 -3.803 4.667 102 1HD LYS 12 2HD LYS 12 0.392 -3.081 6.602 103 2HD LYS 12 1HD LYS 12 -0.833 -4.216 7.171 104 1HE LYS 12 2HE LYS 12 -0.416 -5.657 5.181 105 2HE LYS 12 1HE LYS 12 0.850 -4.532 4.652 106 1HZ LYS 12 1HZ LYS 12 2.091 -4.924 6.609 107 2HZ LYS 12 2HZ LYS 12 1.634 -6.457 6.043 108 3HZ LYS 12 3HZ LYS 12 0.818 -5.760 7.357 109 H LYS 13 H LYS 13 -4.244 -2.038 4.291 110 HA LYS 13 HA LYS 13 -4.069 -4.091 2.161 111 1HB LYS 13 2HB LYS 13 -6.115 -3.398 4.286 112 2HB LYS 13 1HB LYS 13 -6.295 -4.742 3.161 113 1HG LYS 13 2HG LYS 13 -3.900 -5.421 4.012 114 2HG LYS 13 1HG LYS 13 -4.303 -4.397 5.390 115 1HD LYS 13 2HD LYS 13 -6.497 -6.192 4.661 116 2HD LYS 13 1HD LYS 13 -5.026 -7.068 5.090 117 1HE LYS 13 2HE LYS 13 -4.942 -6.102 7.265 118 2HE LYS 13 1HE LYS 13 -6.084 -4.814 6.827 119 1HZ LYS 13 1HZ LYS 13 -7.809 -6.456 6.516 120 2HZ LYS 13 2HZ LYS 13 -7.150 -6.627 8.070 121 3HZ LYS 13 3HZ LYS 13 -6.726 -7.722 6.846 122 H GLU 14 H GLU 14 -4.760 -0.870 1.966 123 HA GLU 14 HA GLU 14 -7.223 -1.160 0.331 124 1HB GLU 14 2HB GLU 14 -7.319 1.242 0.460 125 2HB GLU 14 1HB GLU 14 -6.913 0.639 2.062 126 1HG GLU 14 2HG GLU 14 -4.944 1.720 2.060 127 2HG GLU 14 1HG GLU 14 -4.530 1.124 0.450 128 H CYS 15 H CYS 15 -3.784 -0.914 -0.127 129 HA CYS 15 HA CYS 15 -3.930 0.162 -2.850 130 1HB CYS 15 2HB CYS 15 -1.717 -1.275 -1.327 131 2HB CYS 15 1HB CYS 15 -1.511 -0.398 -2.843 132 H CYS 16 H CYS 16 -4.002 -1.081 -4.771 133 HA CYS 16 HA CYS 16 -5.082 -3.709 -4.741 134 1HB CYS 16 2HB CYS 16 -3.415 -2.398 -6.904 135 2HB CYS 16 1HB CYS 16 -4.612 -3.669 -7.131 136 H GLY 17 H GLY 17 -1.702 -2.737 -5.491 137 1HA GLY 17 2HA GLY 17 -0.799 -5.516 -5.341 138 2HA GLY 17 1HA GLY 17 0.242 -4.105 -5.556 139 H TRP 18 H TRP 18 -0.997 -6.357 -3.289 140 HA TRP 18 HA TRP 18 -1.119 -5.311 -0.798 141 1HB TRP 18 2HB TRP 18 0.090 -7.728 -1.991 142 2HB TRP 18 1HB TRP 18 0.631 -7.375 -0.352 143 HD1 TRP 18 HD TRP 18 -2.047 -6.150 0.813 144 HE1 TRP 18 1HE TRP 18 -4.070 -7.688 1.244 145 HE3 TRP 18 3HE TRP 18 -0.880 -10.058 -2.275 146 HZ2 TRP 18 2HZ TRP 18 -5.068 -10.228 0.402 147 HZ3 TRP 18 3HZ TRP 18 -2.382 -12.019 -2.432 148 HH2 TRP 18 HH TRP 18 -4.472 -12.113 -1.100 149 H ASN 19 H ASN 19 -0.023 -3.350 -0.542 150 HA ASN 19 HA ASN 19 2.967 -3.511 -0.285 151 1HB ASN 19 2HB ASN 19 1.355 -1.987 -1.982 152 2HB ASN 19 1HB ASN 19 1.789 -0.866 -0.694 153 1HD2 ASN 19 1HD2 ASN 19 3.556 0.306 -1.403 154 2HD2 ASN 19 2HD2 ASN 19 4.906 -0.338 -2.188 155 H ALA 20 H ALA 20 3.401 -1.123 1.014 156 HA ALA 20 HA ALA 20 1.827 -1.405 3.553 157 1HB ALA 20 1HB ALA 20 4.266 -2.197 3.434 158 2HB ALA 20 2HB ALA 20 3.876 -1.061 4.727 159 3HB ALA 20 3HB ALA 20 4.692 -0.494 3.268 160 H CYS 21 H CYS 21 0.691 0.444 4.036 161 HA CYS 21 HA CYS 21 1.236 2.982 2.653 162 1HB CYS 21 2HB CYS 21 -1.024 1.908 3.428 163 2HB CYS 21 1HB CYS 21 -0.600 2.535 5.019 164 H ALA 22 H ALA 22 3.479 3.231 3.474 165 HA ALA 22 HA ALA 22 3.753 3.675 6.407 166 1HB ALA 22 1HB ALA 22 6.232 3.670 5.641 167 2HB ALA 22 2HB ALA 22 5.598 3.164 4.071 168 3HB ALA 22 3HB ALA 22 5.325 2.163 5.498 169 H LEU 23 H LEU 23 5.346 5.259 3.632 170 HA LEU 23 HA LEU 23 5.618 7.759 5.097 171 1HB LEU 23 2HB LEU 23 6.179 6.725 2.315 172 2HB LEU 23 1HB LEU 23 6.373 8.437 2.670 173 HG LEU 23 HG LEU 23 8.227 8.093 4.006 174 1HD1 LEU 23 1HD1 LEU 23 7.239 5.291 4.616 175 2HD1 LEU 23 2HD1 LEU 23 7.039 6.691 5.668 176 3HD1 LEU 23 3HD1 LEU 23 8.652 6.069 5.328 177 1HD2 LEU 23 1HD2 LEU 23 8.263 6.689 1.666 178 2HD2 LEU 23 2HD2 LEU 23 8.664 5.415 2.821 179 3HD2 LEU 23 3HD2 LEU 23 9.660 6.869 2.726 180 H GLY 24 H GLY 24 2.895 7.308 5.156 181 1HA GLY 24 2HA GLY 24 0.893 8.470 4.734 182 2HA GLY 24 1HA GLY 24 1.828 9.622 3.777 183 H ILE 25 H ILE 25 2.567 6.589 2.598 184 HA ILE 25 HA ILE 25 0.226 6.279 0.814 185 HB ILE 25 HB ILE 25 2.714 6.355 -0.713 186 1HG1 ILE 25 2HG1 ILE 25 1.842 8.935 0.607 187 2HG1 ILE 25 1HG1 ILE 25 3.383 8.116 0.854 188 1HG2 ILE 25 1HG2 ILE 25 0.558 6.341 -1.767 189 2HG2 ILE 25 2HG2 ILE 25 1.337 7.884 -2.122 190 3HG2 ILE 25 3HG2 ILE 25 0.072 7.795 -0.896 191 1HD1 ILE 25 1HD1 ILE 25 3.787 9.851 -0.751 192 2HD1 ILE 25 2HD1 ILE 25 2.364 9.391 -1.688 193 3HD1 ILE 25 3HD1 ILE 25 3.767 8.326 -1.642 194 H CYS 26 H CYS 26 1.021 4.390 -0.903 195 HA CYS 26 HA CYS 26 2.022 2.201 0.832 196 1HB CYS 26 2HB CYS 26 0.540 2.542 -1.699 197 2HB CYS 26 1HB CYS 26 1.658 1.182 -1.705 198 H MET 27 H MET 27 4.230 1.746 0.901 199 HA MET 27 HA MET 27 5.789 2.072 -1.607 200 1HB MET 27 2HB MET 27 5.887 3.810 0.780 201 2HB MET 27 1HB MET 27 7.462 3.308 0.159 202 1HG MET 27 2HG MET 27 5.537 4.147 -1.919 203 2HG MET 27 1HG MET 27 6.030 5.426 -0.811 204 1HE MET 27 1HE MET 27 9.233 5.073 -0.147 205 2HE MET 27 2HE MET 27 7.984 6.292 -0.381 206 3HE MET 27 3HE MET 27 9.424 6.308 -1.396 207 HA PRO 28 HA PRO 28 8.677 -0.425 1.147 208 1HB PRO 28 2HB PRO 28 8.554 -0.239 3.867 209 2HB PRO 28 1HB PRO 28 9.462 0.915 2.868 210 1HG PRO 28 2HG PRO 28 6.802 1.199 4.151 211 2HG PRO 28 1HG PRO 28 8.077 2.402 3.924 212 1HD PRO 28 2HD PRO 28 5.809 2.221 2.379 213 2HD PRO 28 1HD PRO 28 7.328 2.979 1.853 214 H ARG 29 HN ARG 29 6.913 -1.900 0.308 215 HA ARG 29 HA ARG 29 4.760 -2.926 1.831 216 1HB ARG 29 2HB ARG 29 4.799 -4.740 0.214 217 2HB ARG 29 1HB ARG 29 5.232 -3.248 -0.614 218 1HG ARG 29 2HG ARG 29 6.958 -4.542 -1.405 219 2HG ARG 29 1HG ARG 29 7.697 -4.059 0.125 220 1HD ARG 29 2HD ARG 29 6.950 -6.139 1.199 221 2HD ARG 29 1HD ARG 29 6.052 -6.586 -0.259 222 HE ARG 29 HE ARG 29 8.097 -7.085 -1.368 223 1HH1 ARG 29 1HH2 ARG 29 8.638 -5.568 1.724 224 2HH1 ARG 29 2HH2 ARG 29 10.315 -6.015 1.776 225 1HH2 ARG 29 1HH1 ARG 29 10.272 -7.673 -1.275 226 2HH2 ARG 29 2HH1 ARG 29 11.236 -7.189 0.078 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -12.573 -0.499 -4.082 2 2H GLY 1 2HT GLY 1 -12.320 -2.040 -4.749 3 3H GLY 1 3HT GLY 1 -13.342 -0.932 -5.530 4 1HA GLY 1 2HA GLY 1 -11.027 -1.223 -6.496 5 2HA GLY 1 1HA GLY 1 -11.590 0.424 -6.208 6 H CYS 2 H CYS 2 -8.865 -0.011 -6.281 7 HA CYS 2 HA CYS 2 -8.098 0.635 -3.480 8 1HB CYS 2 2HB CYS 2 -6.184 -1.058 -3.762 9 2HB CYS 2 1HB CYS 2 -7.792 -1.737 -3.519 10 H LYS 3 H LYS 3 -5.696 1.365 -3.467 11 HA LYS 3 HA LYS 3 -5.177 2.937 -5.965 12 1HB LYS 3 2HB LYS 3 -3.930 3.284 -3.218 13 2HB LYS 3 1HB LYS 3 -3.965 4.441 -4.543 14 1HG LYS 3 2HG LYS 3 -6.329 4.775 -4.332 15 2HG LYS 3 1HG LYS 3 -6.481 3.421 -3.216 16 1HD LYS 3 2HD LYS 3 -5.262 4.592 -1.499 17 2HD LYS 3 1HD LYS 3 -4.819 5.882 -2.616 18 1HE LYS 3 2HE LYS 3 -7.116 6.638 -2.775 19 2HE LYS 3 1HE LYS 3 -7.690 5.224 -1.867 20 1HZ LYS 3 1HZ LYS 3 -6.658 5.942 0.071 21 2HZ LYS 3 2HZ LYS 3 -7.276 7.382 -0.577 22 3HZ LYS 3 3HZ LYS 3 -5.623 7.023 -0.736 23 H LEU 4 H LEU 4 -2.698 3.349 -6.257 24 HA LEU 4 HA LEU 4 -1.397 0.703 -6.456 25 1HB LEU 4 2HB LEU 4 -0.909 3.474 -7.580 26 2HB LEU 4 1HB LEU 4 0.225 2.161 -7.846 27 HG LEU 4 HG LEU 4 -1.180 2.131 -9.750 28 1HD1 LEU 4 1HD1 LEU 4 -2.575 0.147 -7.965 29 2HD1 LEU 4 2HD1 LEU 4 -0.895 -0.077 -8.459 30 3HD1 LEU 4 3HD1 LEU 4 -2.170 -0.004 -9.675 31 1HD2 LEU 4 1HD2 LEU 4 -3.334 2.835 -9.781 32 2HD2 LEU 4 2HD2 LEU 4 -3.000 3.434 -8.158 33 3HD2 LEU 4 3HD2 LEU 4 -3.768 1.864 -8.375 34 H THR 5 H THR 5 1.249 2.421 -6.463 35 HA THR 5 HA THR 5 1.880 1.879 -3.658 36 HB THR 5 HB THR 5 3.952 3.165 -5.236 37 HG1 THR 5 1HG THR 5 4.006 1.609 -6.898 38 1HG2 THR 5 1HG2 THR 5 4.700 1.762 -3.547 39 2HG2 THR 5 2HG2 THR 5 4.858 0.718 -4.958 40 3HG2 THR 5 3HG2 THR 5 3.473 0.536 -3.884 41 H PHE 6 H PHE 6 2.778 4.729 -5.628 42 HA PHE 6 HA PHE 6 2.925 6.446 -3.309 43 1HB PHE 6 2HB PHE 6 3.568 6.478 -6.140 44 2HB PHE 6 1HB PHE 6 2.851 8.010 -5.645 45 HD1 PHE 6 1HD PHE 6 5.085 5.530 -3.911 46 HD2 PHE 6 2HD PHE 6 4.509 9.592 -5.207 47 HE1 PHE 6 1HE PHE 6 7.208 6.181 -2.809 48 HE2 PHE 6 2HE PHE 6 6.634 10.239 -4.106 49 HZ PHE 6 HZ PHE 6 7.986 8.536 -2.912 50 H TRP 7 H TRP 7 0.191 5.312 -3.681 51 HA TRP 7 HA TRP 7 -1.368 7.767 -4.361 52 1HB TRP 7 2HB TRP 7 -2.015 4.826 -3.970 53 2HB TRP 7 1HB TRP 7 -3.263 6.053 -4.147 54 HD1 TRP 7 HD TRP 7 0.055 5.538 -6.075 55 HE1 TRP 7 1HE TRP 7 -0.481 5.531 -8.590 56 HE3 TRP 7 3HE TRP 7 -5.026 5.977 -5.890 57 HZ2 TRP 7 2HZ TRP 7 -2.767 5.674 -10.308 58 HZ3 TRP 7 3HZ TRP 7 -6.358 6.029 -7.981 59 HH2 TRP 7 HH TRP 7 -5.236 5.880 -10.186 60 H LYS 8 H LYS 8 -1.777 9.044 -2.563 61 HA LYS 8 HA LYS 8 -1.194 8.561 0.091 62 1HB LYS 8 2HB LYS 8 -2.259 10.585 -1.294 63 2HB LYS 8 1HB LYS 8 -3.744 9.992 -0.549 64 1HG LYS 8 2HG LYS 8 -2.986 11.506 1.059 65 2HG LYS 8 1HG LYS 8 -2.315 9.988 1.652 66 1HD LYS 8 2HD LYS 8 -0.236 10.607 0.209 67 2HD LYS 8 1HD LYS 8 -0.908 12.241 0.228 68 1HE LYS 8 2HE LYS 8 -0.954 12.173 2.730 69 2HE LYS 8 1HE LYS 8 -0.191 10.571 2.676 70 1HZ LYS 8 1HZ LYS 8 1.646 11.518 1.415 71 2HZ LYS 8 2HZ LYS 8 1.470 12.331 2.893 72 3HZ LYS 8 3HZ LYS 8 0.921 13.051 1.458 73 H CYS 9 H CYS 9 -1.681 6.557 0.954 74 HA CYS 9 HA CYS 9 -4.509 5.600 0.810 75 1HB CYS 9 2HB CYS 9 -3.405 3.458 1.643 76 2HB CYS 9 1HB CYS 9 -2.886 4.005 0.050 77 H LYS 10 H LYS 10 -5.321 4.482 2.799 78 HA LYS 10 HA LYS 10 -4.610 6.023 5.269 79 1HB LYS 10 2HB LYS 10 -6.947 6.038 4.091 80 2HB LYS 10 1HB LYS 10 -7.122 4.418 4.765 81 1HG LYS 10 2HG LYS 10 -7.201 5.180 6.949 82 2HG LYS 10 1HG LYS 10 -6.225 6.607 6.599 83 1HD LYS 10 2HD LYS 10 -8.298 7.609 6.816 84 2HD LYS 10 1HD LYS 10 -8.318 7.246 5.090 85 1HE LYS 10 2HE LYS 10 -9.538 5.122 5.560 86 2HE LYS 10 1HE LYS 10 -9.564 5.539 7.284 87 1HZ LYS 10 1HZ LYS 10 -10.558 7.398 5.194 88 2HZ LYS 10 2HZ LYS 10 -10.827 7.459 6.870 89 3HZ LYS 10 3HZ LYS 10 -11.567 6.253 5.932 90 H ASN 11 H ASN 11 -5.463 2.780 3.999 91 HA ASN 11 HA ASN 11 -4.259 1.531 6.443 92 1HB ASN 11 2HB ASN 11 -6.681 1.154 5.847 93 2HB ASN 11 1HB ASN 11 -6.143 0.420 4.339 94 1HD2 ASN 11 1HD2 ASN 11 -7.506 -1.384 5.628 95 2HD2 ASN 11 2HD2 ASN 11 -6.566 -2.457 6.539 96 H LYS 12 H LYS 12 -3.116 -0.596 5.879 97 HA LYS 12 HA LYS 12 -1.281 -0.157 3.613 98 1HB LYS 12 2HB LYS 12 -0.034 -1.980 4.734 99 2HB LYS 12 1HB LYS 12 -0.480 -0.732 5.890 100 1HG LYS 12 2HG LYS 12 -2.663 -2.396 6.018 101 2HG LYS 12 1HG LYS 12 -1.362 -3.547 5.713 102 1HD LYS 12 2HD LYS 12 -0.731 -3.400 7.870 103 2HD LYS 12 1HD LYS 12 -0.401 -1.682 7.645 104 1HE LYS 12 2HE LYS 12 -2.388 -1.037 8.623 105 2HE LYS 12 1HE LYS 12 -3.271 -2.437 7.984 106 1HZ LYS 12 1HZ LYS 12 -2.911 -2.642 10.378 107 2HZ LYS 12 2HZ LYS 12 -1.232 -2.527 10.155 108 3HZ LYS 12 3HZ LYS 12 -2.083 -3.858 9.542 109 H LYS 13 H LYS 13 -3.930 -2.319 4.486 110 HA LYS 13 HA LYS 13 -3.310 -4.177 2.274 111 1HB LYS 13 2HB LYS 13 -5.481 -3.959 4.378 112 2HB LYS 13 1HB LYS 13 -5.475 -5.224 3.149 113 1HG LYS 13 2HG LYS 13 -2.951 -4.797 4.685 114 2HG LYS 13 1HG LYS 13 -4.293 -5.564 5.536 115 1HD LYS 13 2HD LYS 13 -4.459 -7.088 3.423 116 2HD LYS 13 1HD LYS 13 -2.820 -6.532 3.082 117 1HE LYS 13 2HE LYS 13 -3.460 -7.551 5.845 118 2HE LYS 13 1HE LYS 13 -3.177 -8.715 4.535 119 1HZ LYS 13 1HZ LYS 13 -1.174 -7.741 5.877 120 2HZ LYS 13 2HZ LYS 13 -1.342 -6.430 4.816 121 3HZ LYS 13 3HZ LYS 13 -1.044 -7.987 4.211 122 H GLU 14 H GLU 14 -4.685 -1.129 2.299 123 HA GLU 14 HA GLU 14 -6.949 -1.726 0.521 124 1HB GLU 14 2HB GLU 14 -7.221 0.742 0.563 125 2HB GLU 14 1HB GLU 14 -7.098 0.064 2.184 126 1HG GLU 14 2HG GLU 14 -5.061 1.029 2.582 127 2HG GLU 14 1HG GLU 14 -4.547 0.910 0.899 128 H CYS 15 H CYS 15 -3.559 -1.197 0.115 129 HA CYS 15 HA CYS 15 -3.660 0.111 -2.486 130 1HB CYS 15 2HB CYS 15 -1.432 -1.722 -1.637 131 2HB CYS 15 1HB CYS 15 -1.331 -0.175 -2.466 132 H CYS 16 H CYS 16 -3.752 -0.886 -4.555 133 HA CYS 16 HA CYS 16 -5.054 -3.390 -4.876 134 1HB CYS 16 2HB CYS 16 -3.178 -1.900 -6.747 135 2HB CYS 16 1HB CYS 16 -4.269 -3.190 -7.242 136 H GLY 17 H GLY 17 -1.614 -2.814 -5.714 137 1HA GLY 17 2HA GLY 17 -1.057 -5.683 -5.503 138 2HA GLY 17 1HA GLY 17 0.125 -4.420 -5.875 139 H TRP 18 H TRP 18 -1.220 -6.367 -3.404 140 HA TRP 18 HA TRP 18 -1.122 -5.431 -0.966 141 1HB TRP 18 2HB TRP 18 0.449 -7.681 -2.160 142 2HB TRP 18 1HB TRP 18 0.687 -7.318 -0.453 143 HD1 TRP 18 HD TRP 18 -2.430 -6.360 -0.048 144 HE1 TRP 18 1HE TRP 18 -4.210 -8.204 0.184 145 HE3 TRP 18 3HE TRP 18 0.092 -10.288 -2.114 146 HZ2 TRP 18 2HZ TRP 18 -4.529 -10.980 -0.428 147 HZ3 TRP 18 3HZ TRP 18 -0.967 -12.521 -2.272 148 HH2 TRP 18 HH TRP 18 -3.273 -12.870 -1.430 149 H ASN 19 H ASN 19 -0.235 -3.375 -0.742 150 HA ASN 19 HA ASN 19 2.762 -3.178 -0.682 151 1HB ASN 19 2HB ASN 19 0.646 -1.657 -1.908 152 2HB ASN 19 1HB ASN 19 1.455 -0.642 -0.719 153 1HD2 ASN 19 1HD2 ASN 19 4.048 -0.895 -0.897 154 2HD2 ASN 19 2HD2 ASN 19 4.639 -0.827 -2.487 155 H ALA 20 H ALA 20 2.855 -0.751 0.775 156 HA ALA 20 HA ALA 20 1.452 -1.375 3.341 157 1HB ALA 20 1HB ALA 20 3.576 -1.076 4.504 158 2HB ALA 20 2HB ALA 20 4.373 -0.647 2.991 159 3HB ALA 20 3HB ALA 20 3.789 -2.291 3.238 160 H CYS 21 H CYS 21 0.463 0.460 4.083 161 HA CYS 21 HA CYS 21 0.957 3.061 2.820 162 1HB CYS 21 2HB CYS 21 -1.231 1.907 3.766 163 2HB CYS 21 1HB CYS 21 -0.699 2.602 5.295 164 H ALA 22 H ALA 22 3.195 3.378 3.445 165 HA ALA 22 HA ALA 22 3.705 3.678 6.378 166 1HB ALA 22 1HB ALA 22 5.341 3.106 3.917 167 2HB ALA 22 2HB ALA 22 5.215 2.170 5.411 168 3HB ALA 22 3HB ALA 22 6.126 3.680 5.391 169 H LEU 23 H LEU 23 5.340 5.244 3.625 170 HA LEU 23 HA LEU 23 5.526 7.775 5.073 171 1HB LEU 23 2HB LEU 23 6.058 7.528 2.129 172 2HB LEU 23 1HB LEU 23 6.980 8.390 3.351 173 HG LEU 23 HG LEU 23 6.934 5.388 2.873 174 1HD1 LEU 23 1HD1 LEU 23 9.199 7.395 2.802 175 2HD1 LEU 23 2HD1 LEU 23 8.354 6.795 1.375 176 3HD1 LEU 23 3HD1 LEU 23 9.293 5.687 2.376 177 1HD2 LEU 23 1HD2 LEU 23 8.602 6.808 4.958 178 2HD2 LEU 23 2HD2 LEU 23 8.290 5.078 4.800 179 3HD2 LEU 23 3HD2 LEU 23 7.010 6.159 5.354 180 H GLY 24 H GLY 24 2.830 7.309 4.947 181 1HA GLY 24 2HA GLY 24 0.863 8.461 4.379 182 2HA GLY 24 1HA GLY 24 1.862 9.613 3.499 183 H ILE 25 H ILE 25 2.472 6.425 2.507 184 HA ILE 25 HA ILE 25 0.354 6.301 0.460 185 HB ILE 25 HB ILE 25 2.685 5.988 -1.042 186 1HG1 ILE 25 2HG1 ILE 25 2.916 8.447 0.718 187 2HG1 ILE 25 1HG1 ILE 25 4.048 7.096 0.678 188 1HG2 ILE 25 1HG2 ILE 25 0.625 6.959 -1.845 189 2HG2 ILE 25 2HG2 ILE 25 1.949 8.085 -2.131 190 3HG2 ILE 25 3HG2 ILE 25 0.832 8.359 -0.792 191 1HD1 ILE 25 1HD1 ILE 25 3.407 8.951 -1.628 192 2HD1 ILE 25 2HD1 ILE 25 4.517 7.585 -1.703 193 3HD1 ILE 25 3HD1 ILE 25 4.892 8.970 -0.676 194 H CYS 26 H CYS 26 0.948 4.335 -1.065 195 HA CYS 26 HA CYS 26 1.592 2.029 0.683 196 1HB CYS 26 2HB CYS 26 0.702 2.384 -2.201 197 2HB CYS 26 1HB CYS 26 0.897 0.818 -1.435 198 H MET 27 H MET 27 3.905 1.789 0.920 199 HA MET 27 HA MET 27 5.401 1.608 -1.654 200 1HB MET 27 2HB MET 27 5.621 3.645 0.451 201 2HB MET 27 1HB MET 27 7.166 2.971 -0.067 202 1HG MET 27 2HG MET 27 5.212 3.698 -2.197 203 2HG MET 27 1HG MET 27 6.016 5.018 -1.350 204 1HE MET 27 1HE MET 27 6.740 2.112 -4.185 205 2HE MET 27 2HE MET 27 7.347 3.569 -4.969 206 3HE MET 27 3HE MET 27 5.780 3.598 -4.166 207 HA PRO 28 HA PRO 28 8.391 -0.560 1.279 208 1HB PRO 28 2HB PRO 28 8.222 -0.163 3.982 209 2HB PRO 28 1HB PRO 28 9.161 0.891 2.902 210 1HG PRO 28 2HG PRO 28 6.435 1.286 4.037 211 2HG PRO 28 1HG PRO 28 7.751 2.448 3.842 212 1HD PRO 28 2HD PRO 28 5.639 2.347 2.166 213 2HD PRO 28 1HD PRO 28 7.264 2.838 1.633 214 H ARG 29 HN ARG 29 6.846 -2.222 0.560 215 HA ARG 29 HA ARG 29 4.604 -3.238 1.895 216 1HB ARG 29 2HB ARG 29 6.832 -4.735 0.470 217 2HB ARG 29 1HB ARG 29 5.223 -5.383 0.779 218 1HG ARG 29 2HG ARG 29 4.442 -4.390 -1.085 219 2HG ARG 29 1HG ARG 29 4.941 -2.812 -0.476 220 1HD ARG 29 2HD ARG 29 6.042 -3.301 -2.644 221 2HD ARG 29 1HD ARG 29 7.246 -3.225 -1.341 222 HE ARG 29 HE ARG 29 6.240 -5.910 -1.586 223 1HH1 ARG 29 1HH2 ARG 29 8.273 -3.597 -3.181 224 2HH1 ARG 29 2HH2 ARG 29 9.312 -4.787 -3.878 225 1HH2 ARG 29 1HH1 ARG 29 7.597 -7.485 -2.495 226 2HH2 ARG 29 2HH1 ARG 29 8.926 -6.985 -3.482 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -12.478 -0.251 -3.012 2 2H GLY 1 2HT GLY 1 -12.835 0.666 -4.396 3 3H GLY 1 3HT GLY 1 -13.495 1.100 -2.897 4 1HA GLY 1 2HA GLY 1 -11.448 2.374 -3.838 5 2HA GLY 1 1HA GLY 1 -11.548 2.006 -2.116 6 H CYS 2 H CYS 2 -9.391 2.015 -4.528 7 HA CYS 2 HA CYS 2 -7.583 0.155 -3.212 8 1HB CYS 2 2HB CYS 2 -9.298 -1.243 -4.584 9 2HB CYS 2 1HB CYS 2 -8.468 -0.614 -6.006 10 H LYS 3 H LYS 3 -5.603 1.176 -3.523 11 HA LYS 3 HA LYS 3 -5.190 2.651 -6.120 12 1HB LYS 3 2HB LYS 3 -3.989 3.280 -3.401 13 2HB LYS 3 1HB LYS 3 -3.941 4.279 -4.847 14 1HG LYS 3 2HG LYS 3 -6.146 4.953 -4.650 15 2HG LYS 3 1HG LYS 3 -6.629 3.489 -3.793 16 1HD LYS 3 2HD LYS 3 -5.628 4.235 -1.753 17 2HD LYS 3 1HD LYS 3 -4.781 5.550 -2.567 18 1HE LYS 3 2HE LYS 3 -6.776 6.387 -1.336 19 2HE LYS 3 1HE LYS 3 -6.961 6.635 -3.081 20 1HZ LYS 3 1HZ LYS 3 -7.818 4.018 -2.158 21 2HZ LYS 3 2HZ LYS 3 -8.594 5.111 -3.205 22 3HZ LYS 3 3HZ LYS 3 -8.735 5.302 -1.527 23 H LEU 4 H LEU 4 -2.623 3.153 -6.165 24 HA LEU 4 HA LEU 4 -1.321 0.487 -6.271 25 1HB LEU 4 2HB LEU 4 -0.792 3.218 -7.481 26 2HB LEU 4 1HB LEU 4 0.334 1.886 -7.671 27 HG LEU 4 HG LEU 4 -1.047 1.892 -9.622 28 1HD1 LEU 4 1HD1 LEU 4 -0.663 -0.312 -8.313 29 2HD1 LEU 4 2HD1 LEU 4 -1.876 -0.301 -9.593 30 3HD1 LEU 4 3HD1 LEU 4 -2.375 -0.193 -7.904 31 1HD2 LEU 4 1HD2 LEU 4 -2.896 3.162 -8.143 32 2HD2 LEU 4 2HD2 LEU 4 -3.595 1.545 -8.131 33 3HD2 LEU 4 3HD2 LEU 4 -3.287 2.362 -9.663 34 H THR 5 H THR 5 1.331 2.015 -6.250 35 HA THR 5 HA THR 5 1.885 1.715 -3.414 36 HB THR 5 HB THR 5 3.904 2.950 -5.199 37 HG1 THR 5 1HG THR 5 3.976 1.355 -6.641 38 1HG2 THR 5 1HG2 THR 5 3.703 1.057 -3.003 39 2HG2 THR 5 2HG2 THR 5 5.082 2.014 -3.534 40 3HG2 THR 5 3HG2 THR 5 4.751 0.459 -4.295 41 H PHE 6 H PHE 6 2.866 4.493 -5.467 42 HA PHE 6 HA PHE 6 2.842 6.315 -3.225 43 1HB PHE 6 2HB PHE 6 3.799 6.179 -5.916 44 2HB PHE 6 1HB PHE 6 2.877 7.672 -5.748 45 HD1 PHE 6 1HD PHE 6 5.029 5.728 -3.355 46 HD2 PHE 6 2HD PHE 6 4.335 9.453 -5.378 47 HE1 PHE 6 1HE PHE 6 6.894 6.758 -2.094 48 HE2 PHE 6 2HE PHE 6 6.202 10.484 -4.121 49 HZ PHE 6 HZ PHE 6 7.484 9.140 -2.474 50 H TRP 7 H TRP 7 0.166 5.195 -3.577 51 HA TRP 7 HA TRP 7 -1.369 7.590 -4.491 52 1HB TRP 7 2HB TRP 7 -2.041 4.654 -4.130 53 2HB TRP 7 1HB TRP 7 -3.251 5.881 -4.476 54 HD1 TRP 7 HD TRP 7 0.250 5.285 -6.001 55 HE1 TRP 7 1HE TRP 7 0.003 5.228 -8.564 56 HE3 TRP 7 3HE TRP 7 -4.805 5.796 -6.387 57 HZ2 TRP 7 2HZ TRP 7 -2.074 5.356 -10.537 58 HZ3 TRP 7 3HZ TRP 7 -5.906 5.828 -8.617 59 HH2 TRP 7 HH TRP 7 -4.549 5.612 -10.693 60 H LYS 8 H LYS 8 -1.834 8.862 -2.699 61 HA LYS 8 HA LYS 8 -1.513 8.507 -0.027 62 1HB LYS 8 2HB LYS 8 -3.888 9.711 -1.487 63 2HB LYS 8 1HB LYS 8 -3.580 9.969 0.231 64 1HG LYS 8 2HG LYS 8 -1.264 10.454 -1.553 65 2HG LYS 8 1HG LYS 8 -2.608 11.580 -1.741 66 1HD LYS 8 2HD LYS 8 -2.191 11.148 1.058 67 2HD LYS 8 1HD LYS 8 -0.634 11.526 0.319 68 1HE LYS 8 2HE LYS 8 -1.509 13.589 -0.634 69 2HE LYS 8 1HE LYS 8 -3.154 13.179 -0.107 70 1HZ LYS 8 1HZ LYS 8 -2.232 14.602 1.541 71 2HZ LYS 8 2HZ LYS 8 -0.790 13.705 1.619 72 3HZ LYS 8 3HZ LYS 8 -2.242 13.042 2.197 73 H CYS 9 H CYS 9 -1.831 6.458 0.885 74 HA CYS 9 HA CYS 9 -4.616 5.335 0.739 75 1HB CYS 9 2HB CYS 9 -3.349 3.206 1.473 76 2HB CYS 9 1HB CYS 9 -3.090 3.773 -0.174 77 H LYS 10 H LYS 10 -5.479 4.359 2.719 78 HA LYS 10 HA LYS 10 -4.584 5.808 5.164 79 1HB LYS 10 2HB LYS 10 -6.948 5.904 4.372 80 2HB LYS 10 1HB LYS 10 -7.054 4.152 4.536 81 1HG LYS 10 2HG LYS 10 -8.010 5.110 6.518 82 2HG LYS 10 1HG LYS 10 -6.447 4.433 6.975 83 1HD LYS 10 2HD LYS 10 -6.020 7.126 6.092 84 2HD LYS 10 1HD LYS 10 -7.348 7.139 7.252 85 1HE LYS 10 2HE LYS 10 -4.786 5.622 7.826 86 2HE LYS 10 1HE LYS 10 -4.960 7.340 8.232 87 1HZ LYS 10 1HZ LYS 10 -7.121 5.474 8.959 88 2HZ LYS 10 2HZ LYS 10 -6.655 6.924 9.705 89 3HZ LYS 10 3HZ LYS 10 -5.729 5.517 9.922 90 H ASN 11 H ASN 11 -5.294 2.524 3.960 91 HA ASN 11 HA ASN 11 -3.638 1.419 6.205 92 1HB ASN 11 2HB ASN 11 -5.250 -0.505 6.191 93 2HB ASN 11 1HB ASN 11 -6.007 1.020 6.630 94 1HD2 ASN 11 1HD2 ASN 11 -6.114 -1.606 4.386 95 2HD2 ASN 11 2HD2 ASN 11 -7.270 -0.941 3.342 96 H LYS 12 H LYS 12 -2.507 -0.602 5.617 97 HA LYS 12 HA LYS 12 -1.296 -0.562 3.047 98 1HB LYS 12 2HB LYS 12 -0.360 -2.744 3.794 99 2HB LYS 12 1HB LYS 12 -0.261 -1.510 5.043 100 1HG LYS 12 2HG LYS 12 -2.512 -2.469 5.900 101 2HG LYS 12 1HG LYS 12 -2.160 -3.854 4.866 102 1HD LYS 12 2HD LYS 12 -0.524 -4.624 6.244 103 2HD LYS 12 1HD LYS 12 0.123 -3.009 6.527 104 1HE LYS 12 2HE LYS 12 -0.980 -2.830 8.503 105 2HE LYS 12 1HE LYS 12 -2.511 -3.343 7.766 106 1HZ LYS 12 1HZ LYS 12 -1.715 -5.635 7.803 107 2HZ LYS 12 2HZ LYS 12 -1.737 -4.982 9.370 108 3HZ LYS 12 3HZ LYS 12 -0.267 -5.142 8.537 109 H LYS 13 H LYS 13 -4.090 -2.452 4.212 110 HA LYS 13 HA LYS 13 -4.233 -4.166 1.871 111 1HB LYS 13 2HB LYS 13 -5.175 -4.542 4.219 112 2HB LYS 13 1HB LYS 13 -6.467 -3.427 3.781 113 1HG LYS 13 2HG LYS 13 -7.503 -4.957 2.467 114 2HG LYS 13 1HG LYS 13 -5.984 -5.522 1.769 115 1HD LYS 13 2HD LYS 13 -5.838 -7.247 3.227 116 2HD LYS 13 1HD LYS 13 -6.266 -6.227 4.600 117 1HE LYS 13 2HE LYS 13 -8.006 -7.934 4.298 118 2HE LYS 13 1HE LYS 13 -8.680 -6.351 3.863 119 1HZ LYS 13 1HZ LYS 13 -8.444 -6.784 1.598 120 2HZ LYS 13 2HZ LYS 13 -8.981 -8.271 2.212 121 3HZ LYS 13 3HZ LYS 13 -7.342 -8.049 1.841 122 H GLU 14 H GLU 14 -4.821 -0.850 2.101 123 HA GLU 14 HA GLU 14 -7.197 -0.737 0.377 124 1HB GLU 14 2HB GLU 14 -7.137 1.117 1.729 125 2HB GLU 14 1HB GLU 14 -5.386 1.088 1.864 126 1HG GLU 14 2HG GLU 14 -5.806 3.051 0.650 127 2HG GLU 14 1HG GLU 14 -5.391 1.891 -0.604 128 H CYS 15 H CYS 15 -3.731 -0.939 -0.088 129 HA CYS 15 HA CYS 15 -3.853 0.134 -2.836 130 1HB CYS 15 2HB CYS 15 -1.662 -1.257 -1.262 131 2HB CYS 15 1HB CYS 15 -1.441 -0.414 -2.795 132 H CYS 16 H CYS 16 -4.284 -1.133 -4.610 133 HA CYS 16 HA CYS 16 -5.239 -3.772 -4.526 134 1HB CYS 16 2HB CYS 16 -3.979 -2.024 -6.620 135 2HB CYS 16 1HB CYS 16 -4.363 -3.694 -7.022 136 H GLY 17 H GLY 17 -1.958 -2.864 -5.682 137 1HA GLY 17 2HA GLY 17 -1.013 -5.610 -5.481 138 2HA GLY 17 1HA GLY 17 -0.005 -4.192 -5.791 139 H TRP 18 H TRP 18 -1.116 -6.386 -3.400 140 HA TRP 18 HA TRP 18 -1.076 -5.345 -0.939 141 1HB TRP 18 2HB TRP 18 0.219 -7.729 -2.148 142 2HB TRP 18 1HB TRP 18 0.691 -7.341 -0.493 143 HD1 TRP 18 HD TRP 18 -2.043 -6.245 0.624 144 HE1 TRP 18 1HE TRP 18 -4.027 -7.854 0.979 145 HE3 TRP 18 3HE TRP 18 -0.693 -10.047 -2.522 146 HZ2 TRP 18 2HZ TRP 18 -4.924 -10.408 0.063 147 HZ3 TRP 18 3HZ TRP 18 -2.136 -12.052 -2.754 148 HH2 TRP 18 HH TRP 18 -4.247 -12.232 -1.467 149 H ASN 19 H ASN 19 -0.055 -3.464 -0.494 150 HA ASN 19 HA ASN 19 2.939 -3.470 -0.360 151 1HB ASN 19 2HB ASN 19 2.161 -2.341 -2.408 152 2HB ASN 19 1HB ASN 19 1.087 -1.323 -1.449 153 1HD2 ASN 19 1HD2 ASN 19 4.351 -1.661 -2.598 154 2HD2 ASN 19 2HD2 ASN 19 4.970 -0.303 -1.799 155 H ALA 20 H ALA 20 3.674 -1.651 1.160 156 HA ALA 20 HA ALA 20 1.849 -1.562 3.510 157 1HB ALA 20 1HB ALA 20 4.753 -0.732 3.231 158 2HB ALA 20 2HB ALA 20 4.248 -2.389 3.573 159 3HB ALA 20 3HB ALA 20 3.890 -1.102 4.725 160 H CYS 21 H CYS 21 0.693 0.283 3.861 161 HA CYS 21 HA CYS 21 1.343 2.814 2.496 162 1HB CYS 21 2HB CYS 21 -0.980 1.792 3.110 163 2HB CYS 21 1HB CYS 21 -0.645 2.370 4.741 164 H ALA 22 H ALA 22 3.293 3.630 3.344 165 HA ALA 22 HA ALA 22 3.490 3.833 6.340 166 1HB ALA 22 1HB ALA 22 6.009 3.876 5.705 167 2HB ALA 22 2HB ALA 22 5.468 3.342 4.111 168 3HB ALA 22 3HB ALA 22 5.143 2.348 5.533 169 H LEU 23 H LEU 23 5.380 5.426 3.773 170 HA LEU 23 HA LEU 23 5.447 7.953 5.176 171 1HB LEU 23 2HB LEU 23 6.253 6.890 2.465 172 2HB LEU 23 1HB LEU 23 6.406 8.606 2.823 173 HG LEU 23 HG LEU 23 8.153 8.288 4.287 174 1HD1 LEU 23 1HD1 LEU 23 6.794 6.917 5.878 175 2HD1 LEU 23 2HD1 LEU 23 8.458 6.354 5.734 176 3HD1 LEU 23 3HD1 LEU 23 7.162 5.490 4.910 177 1HD2 LEU 23 1HD2 LEU 23 8.567 5.564 3.138 178 2HD2 LEU 23 2HD2 LEU 23 9.689 6.920 3.252 179 3HD2 LEU 23 3HD2 LEU 23 8.440 6.913 2.008 180 H GLY 24 H GLY 24 2.757 7.569 5.065 181 1HA GLY 24 2HA GLY 24 0.808 8.763 4.474 182 2HA GLY 24 1HA GLY 24 1.817 9.817 3.485 183 H ILE 25 H ILE 25 2.557 6.740 2.517 184 HA ILE 25 HA ILE 25 0.275 6.338 0.691 185 HB ILE 25 HB ILE 25 2.697 6.285 -0.857 186 1HG1 ILE 25 2HG1 ILE 25 2.144 8.935 0.515 187 2HG1 ILE 25 1HG1 ILE 25 3.597 7.955 0.709 188 1HG2 ILE 25 1HG2 ILE 25 0.497 6.503 -1.807 189 2HG2 ILE 25 2HG2 ILE 25 1.446 7.927 -2.226 190 3HG2 ILE 25 3HG2 ILE 25 0.234 8.020 -0.947 191 1HD1 ILE 25 1HD1 ILE 25 4.360 8.419 -1.445 192 2HD1 ILE 25 2HD1 ILE 25 3.600 9.947 -1.002 193 3HD1 ILE 25 3HD1 ILE 25 2.746 8.806 -2.040 194 H CYS 26 H CYS 26 1.066 4.396 -0.893 195 HA CYS 26 HA CYS 26 2.029 2.255 0.920 196 1HB CYS 26 2HB CYS 26 0.592 2.529 -1.651 197 2HB CYS 26 1HB CYS 26 1.684 1.153 -1.579 198 H MET 27 H MET 27 4.229 1.755 1.004 199 HA MET 27 HA MET 27 5.819 2.046 -1.479 200 1HB MET 27 2HB MET 27 5.890 3.837 0.869 201 2HB MET 27 1HB MET 27 7.465 3.343 0.247 202 1HG MET 27 2HG MET 27 5.486 4.124 -1.802 203 2HG MET 27 1HG MET 27 6.034 5.426 -0.752 204 1HE MET 27 1HE MET 27 9.226 6.337 -1.313 205 2HE MET 27 2HE MET 27 9.562 4.848 -0.434 206 3HE MET 27 3HE MET 27 8.125 5.788 -0.043 207 HA PRO 28 HA PRO 28 8.718 -0.288 1.378 208 1HB PRO 28 2HB PRO 28 8.510 -0.091 4.097 209 2HB PRO 28 1HB PRO 28 9.396 1.090 3.110 210 1HG PRO 28 2HG PRO 28 6.676 1.275 4.295 211 2HG PRO 28 1HG PRO 28 7.916 2.523 4.121 212 1HD PRO 28 2HD PRO 28 5.728 2.278 2.500 213 2HD PRO 28 1HD PRO 28 7.251 3.059 2.015 214 H ARG 29 HN ARG 29 6.848 -1.709 0.438 215 HA ARG 29 HA ARG 29 4.823 -2.952 1.916 216 1HB ARG 29 2HB ARG 29 5.249 -3.237 -0.498 217 2HB ARG 29 1HB ARG 29 6.728 -4.130 -0.135 218 1HG ARG 29 2HG ARG 29 4.331 -5.173 1.235 219 2HG ARG 29 1HG ARG 29 4.265 -5.293 -0.523 220 1HD ARG 29 2HD ARG 29 5.999 -6.800 -0.626 221 2HD ARG 29 1HD ARG 29 6.827 -6.099 0.773 222 HE ARG 29 HE ARG 29 4.399 -7.850 0.950 223 1HH1 ARG 29 1HH2 ARG 29 7.210 -6.360 2.388 224 2HH1 ARG 29 2HH2 ARG 29 7.102 -7.290 3.835 225 1HH2 ARG 29 1HH1 ARG 29 4.291 -9.048 2.849 226 2HH2 ARG 29 2HH1 ARG 29 5.468 -8.809 4.096 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 -13.171 0.594 -3.250 2 2H GLY 1 2HT GLY 1 -12.339 -0.875 -3.126 3 3H GLY 1 3HT GLY 1 -13.500 -0.653 -4.345 4 1HA GLY 1 2HA GLY 1 -11.783 -0.142 -5.663 5 2HA GLY 1 1HA GLY 1 -11.827 1.404 -4.817 6 H CYS 2 H CYS 2 -9.415 1.136 -5.515 7 HA CYS 2 HA CYS 2 -7.871 0.550 -3.120 8 1HB CYS 2 2HB CYS 2 -6.778 -1.427 -3.827 9 2HB CYS 2 1HB CYS 2 -8.448 -1.706 -4.313 10 H LYS 3 H LYS 3 -5.482 0.990 -3.573 11 HA LYS 3 HA LYS 3 -5.152 2.736 -6.000 12 1HB LYS 3 2HB LYS 3 -3.899 3.183 -3.265 13 2HB LYS 3 1HB LYS 3 -3.935 4.292 -4.630 14 1HG LYS 3 2HG LYS 3 -6.560 4.010 -4.394 15 2HG LYS 3 1HG LYS 3 -6.136 3.574 -2.740 16 1HD LYS 3 2HD LYS 3 -4.655 5.740 -2.827 17 2HD LYS 3 1HD LYS 3 -5.706 6.182 -4.173 18 1HE LYS 3 2HE LYS 3 -6.901 7.092 -2.388 19 2HE LYS 3 1HE LYS 3 -7.623 5.471 -2.455 20 1HZ LYS 3 1HZ LYS 3 -5.432 6.425 -0.688 21 2HZ LYS 3 2HZ LYS 3 -5.750 4.757 -0.927 22 3HZ LYS 3 3HZ LYS 3 -6.927 5.771 -0.232 23 H LEU 4 H LEU 4 -2.598 3.227 -6.107 24 HA LEU 4 HA LEU 4 -1.297 0.564 -6.334 25 1HB LEU 4 2HB LEU 4 -0.825 3.321 -7.504 26 2HB LEU 4 1HB LEU 4 0.311 2.006 -7.742 27 HG LEU 4 HG LEU 4 -1.088 1.959 -9.657 28 1HD1 LEU 4 1HD1 LEU 4 -2.072 -0.187 -9.560 29 2HD1 LEU 4 2HD1 LEU 4 -2.459 -0.024 -7.849 30 3HD1 LEU 4 3HD1 LEU 4 -0.783 -0.236 -8.352 31 1HD2 LEU 4 1HD2 LEU 4 -3.686 1.656 -8.343 32 2HD2 LEU 4 2HD2 LEU 4 -3.222 2.697 -9.687 33 3HD2 LEU 4 3HD2 LEU 4 -2.940 3.219 -8.030 34 H THR 5 H THR 5 1.291 2.466 -6.353 35 HA THR 5 HA THR 5 1.914 1.951 -3.524 36 HB THR 5 HB THR 5 3.999 3.246 -5.037 37 HG1 THR 5 1HG THR 5 4.075 1.922 -6.815 38 1HG2 THR 5 1HG2 THR 5 4.040 1.476 -3.151 39 2HG2 THR 5 2HG2 THR 5 5.226 1.318 -4.445 40 3HG2 THR 5 3HG2 THR 5 3.783 0.302 -4.441 41 H PHE 6 H PHE 6 2.827 4.757 -5.530 42 HA PHE 6 HA PHE 6 2.839 6.551 -3.281 43 1HB PHE 6 2HB PHE 6 3.565 6.507 -6.085 44 2HB PHE 6 1HB PHE 6 2.752 8.021 -5.692 45 HD1 PHE 6 1HD PHE 6 4.564 9.567 -5.648 46 HD2 PHE 6 2HD PHE 6 4.821 5.905 -3.408 47 HE1 PHE 6 1HE PHE 6 6.620 10.382 -4.534 48 HE2 PHE 6 2HE PHE 6 6.872 6.732 -2.296 49 HZ PHE 6 HZ PHE 6 7.774 8.971 -2.861 50 H TRP 7 H TRP 7 0.158 5.331 -3.641 51 HA TRP 7 HA TRP 7 -1.486 7.691 -4.428 52 1HB TRP 7 2HB TRP 7 -1.996 4.740 -3.958 53 2HB TRP 7 1HB TRP 7 -3.307 5.898 -4.163 54 HD1 TRP 7 HD TRP 7 0.032 5.433 -6.050 55 HE1 TRP 7 1HE TRP 7 -0.483 5.373 -8.573 56 HE3 TRP 7 3HE TRP 7 -5.051 5.791 -5.907 57 HZ2 TRP 7 2HZ TRP 7 -2.761 5.446 -10.307 58 HZ3 TRP 7 3HZ TRP 7 -6.374 5.783 -8.006 59 HH2 TRP 7 HH TRP 7 -5.235 5.612 -10.202 60 H LYS 8 H LYS 8 -2.006 8.997 -2.687 61 HA LYS 8 HA LYS 8 -1.432 8.714 -0.022 62 1HB LYS 8 2HB LYS 8 -2.606 10.590 -1.400 63 2HB LYS 8 1HB LYS 8 -4.106 9.791 -0.928 64 1HG LYS 8 2HG LYS 8 -3.781 11.394 0.763 65 2HG LYS 8 1HG LYS 8 -3.165 9.903 1.479 66 1HD LYS 8 2HD LYS 8 -0.877 10.695 0.411 67 2HD LYS 8 1HD LYS 8 -1.643 12.282 0.459 68 1HE LYS 8 2HE LYS 8 -1.441 10.444 2.877 69 2HE LYS 8 1HE LYS 8 -0.308 11.768 2.538 70 1HZ LYS 8 1HZ LYS 8 -2.345 13.224 2.317 71 2HZ LYS 8 2HZ LYS 8 -1.986 12.695 3.888 72 3HZ LYS 8 3HZ LYS 8 -3.233 11.957 3.011 73 H CYS 9 H CYS 9 -1.699 6.720 0.981 74 HA CYS 9 HA CYS 9 -4.440 5.507 0.916 75 1HB CYS 9 2HB CYS 9 -3.199 3.431 1.584 76 2HB CYS 9 1HB CYS 9 -2.668 4.091 0.041 77 H LYS 10 H LYS 10 -5.290 4.627 2.872 78 HA LYS 10 HA LYS 10 -4.355 6.028 5.352 79 1HB LYS 10 2HB LYS 10 -6.716 6.280 4.277 80 2HB LYS 10 1HB LYS 10 -7.008 4.647 4.873 81 1HG LYS 10 2HG LYS 10 -6.585 5.347 7.162 82 2HG LYS 10 1HG LYS 10 -6.100 6.955 6.622 83 1HD LYS 10 2HD LYS 10 -8.274 7.611 6.158 84 2HD LYS 10 1HD LYS 10 -8.809 5.967 5.814 85 1HE LYS 10 2HE LYS 10 -9.822 6.622 7.920 86 2HE LYS 10 1HE LYS 10 -8.526 5.474 8.308 87 1HZ LYS 10 1HZ LYS 10 -8.198 8.433 8.256 88 2HZ LYS 10 2HZ LYS 10 -7.030 7.292 8.725 89 3HZ LYS 10 3HZ LYS 10 -8.424 7.523 9.664 90 H ASN 11 H ASN 11 -5.201 2.907 3.911 91 HA ASN 11 HA ASN 11 -4.146 1.512 6.349 92 1HB ASN 11 2HB ASN 11 -6.578 1.301 6.058 93 2HB ASN 11 1HB ASN 11 -6.357 0.768 4.393 94 1HD2 ASN 11 1HD2 ASN 11 -7.393 -1.314 4.889 95 2HD2 ASN 11 2HD2 ASN 11 -6.580 -2.498 5.792 96 H LYS 12 H LYS 12 -3.290 -0.722 5.750 97 HA LYS 12 HA LYS 12 -1.436 -0.533 3.483 98 1HB LYS 12 2HB LYS 12 -1.145 -1.497 5.898 99 2HB LYS 12 1HB LYS 12 -1.930 -2.935 5.247 100 1HG LYS 12 2HG LYS 12 -0.039 -2.323 3.322 101 2HG LYS 12 1HG LYS 12 0.789 -1.941 4.832 102 1HD LYS 12 2HD LYS 12 0.124 -4.200 5.702 103 2HD LYS 12 1HD LYS 12 -0.527 -4.573 4.105 104 1HE LYS 12 2HE LYS 12 1.580 -5.346 3.645 105 2HE LYS 12 1HE LYS 12 2.012 -3.632 3.502 106 1HZ LYS 12 1HZ LYS 12 3.436 -4.694 5.129 107 2HZ LYS 12 2HZ LYS 12 2.089 -5.258 5.995 108 3HZ LYS 12 3HZ LYS 12 2.412 -3.593 5.913 109 H LYS 13 H LYS 13 -4.324 -2.468 4.314 110 HA LYS 13 HA LYS 13 -4.118 -4.181 1.968 111 1HB LYS 13 2HB LYS 13 -5.162 -4.853 4.092 112 2HB LYS 13 1HB LYS 13 -6.392 -3.606 3.896 113 1HG LYS 13 2HG LYS 13 -7.595 -4.875 2.454 114 2HG LYS 13 1HG LYS 13 -6.158 -5.350 1.548 115 1HD LYS 13 2HD LYS 13 -5.941 -7.304 2.684 116 2HD LYS 13 1HD LYS 13 -6.292 -6.543 4.235 117 1HE LYS 13 2HE LYS 13 -8.062 -8.173 3.674 118 2HE LYS 13 1HE LYS 13 -8.729 -6.530 3.639 119 1HZ LYS 13 1HZ LYS 13 -8.987 -8.206 1.600 120 2HZ LYS 13 2HZ LYS 13 -7.505 -7.509 1.169 121 3HZ LYS 13 3HZ LYS 13 -8.874 -6.531 1.385 122 H GLU 14 H GLU 14 -5.133 -0.912 2.229 123 HA GLU 14 HA GLU 14 -7.310 -1.096 0.283 124 1HB GLU 14 2HB GLU 14 -7.338 1.322 0.473 125 2HB GLU 14 1HB GLU 14 -7.124 0.634 2.079 126 1HG GLU 14 2HG GLU 14 -5.097 1.594 2.325 127 2HG GLU 14 1HG GLU 14 -4.580 1.123 0.708 128 H CYS 15 H CYS 15 -3.865 -1.057 0.012 129 HA CYS 15 HA CYS 15 -3.880 0.174 -2.686 130 1HB CYS 15 2HB CYS 15 -1.810 -0.951 -0.796 131 2HB CYS 15 1HB CYS 15 -1.393 -0.518 -2.453 132 H CYS 16 H CYS 16 -3.846 -1.012 -4.580 133 HA CYS 16 HA CYS 16 -4.369 -3.886 -4.466 134 1HB CYS 16 2HB CYS 16 -4.214 -1.691 -6.469 135 2HB CYS 16 1HB CYS 16 -3.900 -3.312 -7.084 136 H GLY 17 H GLY 17 -2.858 -5.539 -4.800 137 1HA GLY 17 2HA GLY 17 -0.760 -6.511 -5.435 138 2HA GLY 17 1HA GLY 17 -0.163 -4.893 -5.826 139 H TRP 18 H TRP 18 -1.469 -6.543 -2.967 140 HA TRP 18 HA TRP 18 -0.958 -5.662 -0.698 141 1HB TRP 18 2HB TRP 18 0.458 -8.000 -1.882 142 2HB TRP 18 1HB TRP 18 0.860 -7.542 -0.228 143 HD1 TRP 18 HD TRP 18 -2.217 -6.446 0.343 144 HE1 TRP 18 1HE TRP 18 -4.014 -8.219 0.866 145 HE3 TRP 18 3HE TRP 18 0.068 -10.609 -1.573 146 HZ2 TRP 18 2HZ TRP 18 -4.416 -11.036 0.531 147 HZ3 TRP 18 3HZ TRP 18 -1.044 -12.808 -1.453 148 HH2 TRP 18 HH TRP 18 -3.274 -13.028 -0.410 149 H ASN 19 H ASN 19 -0.049 -3.581 -0.735 150 HA ASN 19 HA ASN 19 2.951 -3.467 -0.678 151 1HB ASN 19 2HB ASN 19 1.758 -2.292 -2.573 152 2HB ASN 19 1HB ASN 19 0.929 -1.304 -1.372 153 1HD2 ASN 19 1HD2 ASN 19 4.088 -1.881 -2.892 154 2HD2 ASN 19 2HD2 ASN 19 4.811 -0.482 -2.268 155 H ALA 20 H ALA 20 3.345 -1.132 0.741 156 HA ALA 20 HA ALA 20 1.743 -1.536 3.237 157 1HB ALA 20 1HB ALA 20 4.158 -2.316 3.164 158 2HB ALA 20 2HB ALA 20 3.769 -1.173 4.453 159 3HB ALA 20 3HB ALA 20 4.608 -0.621 3.000 160 H CYS 21 H CYS 21 0.644 0.248 3.920 161 HA CYS 21 HA CYS 21 1.073 2.875 2.653 162 1HB CYS 21 2HB CYS 21 -1.132 1.736 3.471 163 2HB CYS 21 1HB CYS 21 -0.619 2.212 5.090 164 H ALA 22 H ALA 22 3.207 3.469 3.310 165 HA ALA 22 HA ALA 22 3.712 3.623 6.255 166 1HB ALA 22 1HB ALA 22 6.132 3.740 5.379 167 2HB ALA 22 2HB ALA 22 5.452 3.350 3.796 168 3HB ALA 22 3HB ALA 22 5.273 2.219 5.140 169 H LEU 23 H LEU 23 5.407 5.419 3.706 170 HA LEU 23 HA LEU 23 5.428 7.853 5.267 171 1HB LEU 23 2HB LEU 23 5.971 7.510 2.301 172 2HB LEU 23 1HB LEU 23 6.621 8.750 3.358 173 HG LEU 23 HG LEU 23 8.449 7.404 3.454 174 1HD1 LEU 23 1HD1 LEU 23 6.913 6.878 5.656 175 2HD1 LEU 23 2HD1 LEU 23 8.554 6.280 5.423 176 3HD1 LEU 23 3HD1 LEU 23 7.177 5.252 5.026 177 1HD2 LEU 23 1HD2 LEU 23 7.600 4.711 3.167 178 2HD2 LEU 23 2HD2 LEU 23 8.452 5.710 1.989 179 3HD2 LEU 23 3HD2 LEU 23 6.688 5.668 1.998 180 H GLY 24 H GLY 24 2.731 7.377 5.163 181 1HA GLY 24 2HA GLY 24 0.737 8.533 4.677 182 2HA GLY 24 1HA GLY 24 1.703 9.713 3.793 183 H ILE 25 H ILE 25 2.513 6.701 2.613 184 HA ILE 25 HA ILE 25 0.278 6.435 0.699 185 HB ILE 25 HB ILE 25 2.788 6.450 -0.741 186 1HG1 ILE 25 2HG1 ILE 25 2.062 9.051 0.640 187 2HG1 ILE 25 1HG1 ILE 25 3.531 8.114 0.917 188 1HG2 ILE 25 1HG2 ILE 25 0.276 8.111 -0.922 189 2HG2 ILE 25 2HG2 ILE 25 0.626 6.619 -1.797 190 3HG2 ILE 25 3HG2 ILE 25 1.552 8.079 -2.141 191 1HD1 ILE 25 1HD1 ILE 25 2.713 9.264 -1.766 192 2HD1 ILE 25 2HD1 ILE 25 4.221 8.429 -1.399 193 3HD1 ILE 25 3HD1 ILE 25 3.888 10.004 -0.678 194 H CYS 26 H CYS 26 1.110 4.571 -0.964 195 HA CYS 26 HA CYS 26 2.072 2.388 0.804 196 1HB CYS 26 2HB CYS 26 0.633 2.656 -1.807 197 2HB CYS 26 1HB CYS 26 1.486 1.154 -1.485 198 H MET 27 H MET 27 4.213 1.747 0.743 199 HA MET 27 HA MET 27 5.720 2.012 -1.784 200 1HB MET 27 2HB MET 27 5.953 3.775 0.587 201 2HB MET 27 1HB MET 27 7.484 3.219 -0.085 202 1HG MET 27 2HG MET 27 5.508 4.120 -2.088 203 2HG MET 27 1HG MET 27 6.091 5.382 -1.006 204 1HE MET 27 1HE MET 27 6.515 3.093 -3.760 205 2HE MET 27 2HE MET 27 7.773 2.171 -2.940 206 3HE MET 27 3HE MET 27 8.189 3.174 -4.329 207 HA PRO 28 HA PRO 28 8.533 -0.511 1.025 208 1HB PRO 28 2HB PRO 28 8.324 -0.338 3.757 209 2HB PRO 28 1HB PRO 28 9.276 0.811 2.791 210 1HG PRO 28 2HG PRO 28 6.585 1.113 3.992 211 2HG PRO 28 1HG PRO 28 7.870 2.311 3.791 212 1HD PRO 28 2HD PRO 28 5.644 2.141 2.189 213 2HD PRO 28 1HD PRO 28 7.187 2.880 1.715 214 H ARG 29 HN ARG 29 6.644 -1.839 0.062 215 HA ARG 29 HA ARG 29 4.504 -2.971 1.501 216 1HB ARG 29 2HB ARG 29 4.744 -4.845 -0.143 217 2HB ARG 29 1HB ARG 29 4.851 -3.253 -0.890 218 1HG ARG 29 2HG ARG 29 6.731 -4.152 -1.860 219 2HG ARG 29 1HG ARG 29 7.472 -3.665 -0.334 220 1HD ARG 29 2HD ARG 29 8.074 -5.994 -0.732 221 2HD ARG 29 1HD ARG 29 6.876 -5.968 0.577 222 HE ARG 29 HE ARG 29 5.280 -6.943 -0.898 223 1HH1 ARG 29 1HH2 ARG 29 8.055 -5.750 -2.630 224 2HH1 ARG 29 2HH2 ARG 29 7.586 -6.474 -4.127 225 1HH2 ARG 29 1HH1 ARG 29 4.678 -7.896 -2.841 226 2HH2 ARG 29 2HH1 ARG 29 5.669 -7.700 -4.246 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 -13.028 0.917 -4.855 2 2H GLY 1 2HT GLY 1 -12.134 0.286 -3.554 3 3H GLY 1 3HT GLY 1 -12.952 -0.760 -4.615 4 1HA GLY 1 2HA GLY 1 -11.214 -0.885 -5.945 5 2HA GLY 1 1HA GLY 1 -11.222 0.870 -6.121 6 H CYS 2 H CYS 2 -8.750 0.124 -6.136 7 HA CYS 2 HA CYS 2 -7.723 0.550 -3.352 8 1HB CYS 2 2HB CYS 2 -5.940 -1.132 -3.923 9 2HB CYS 2 1HB CYS 2 -7.556 -1.829 -3.852 10 H LYS 3 H LYS 3 -5.262 1.163 -3.540 11 HA LYS 3 HA LYS 3 -4.924 2.936 -5.944 12 1HB LYS 3 2HB LYS 3 -3.723 3.325 -3.185 13 2HB LYS 3 1HB LYS 3 -3.812 4.488 -4.497 14 1HG LYS 3 2HG LYS 3 -6.092 4.884 -4.204 15 2HG LYS 3 1HG LYS 3 -6.356 3.345 -3.397 16 1HD LYS 3 2HD LYS 3 -5.496 4.110 -1.357 17 2HD LYS 3 1HD LYS 3 -4.561 5.393 -2.124 18 1HE LYS 3 2HE LYS 3 -6.280 6.729 -1.377 19 2HE LYS 3 1HE LYS 3 -7.116 6.128 -2.824 20 1HZ LYS 3 1HZ LYS 3 -7.910 4.231 -1.499 21 2HZ LYS 3 2HZ LYS 3 -8.459 5.709 -0.873 22 3HZ LYS 3 3HZ LYS 3 -7.180 4.887 -0.108 23 H LEU 4 H LEU 4 -2.532 3.381 -6.392 24 HA LEU 4 HA LEU 4 -1.091 0.826 -6.537 25 1HB LEU 4 2HB LEU 4 -0.704 3.638 -7.595 26 2HB LEU 4 1HB LEU 4 0.512 2.396 -7.837 27 HG LEU 4 HG LEU 4 -0.883 2.408 -9.782 28 1HD1 LEU 4 1HD1 LEU 4 -1.443 0.146 -9.884 29 2HD1 LEU 4 2HD1 LEU 4 -2.013 0.112 -8.216 30 3HD1 LEU 4 3HD1 LEU 4 -0.283 0.180 -8.556 31 1HD2 LEU 4 1HD2 LEU 4 -3.201 2.513 -9.779 32 2HD2 LEU 4 2HD2 LEU 4 -2.830 3.452 -8.334 33 3HD2 LEU 4 3HD2 LEU 4 -3.332 1.769 -8.187 34 H THR 5 H THR 5 1.505 2.612 -6.454 35 HA THR 5 HA THR 5 2.064 2.068 -3.623 36 HB THR 5 HB THR 5 4.175 3.370 -5.121 37 HG1 THR 5 1HG THR 5 4.231 1.514 -6.677 38 1HG2 THR 5 1HG2 THR 5 4.611 1.829 -3.298 39 2HG2 THR 5 2HG2 THR 5 5.265 1.141 -4.789 40 3HG2 THR 5 3HG2 THR 5 3.738 0.555 -4.137 41 H PHE 6 H PHE 6 2.978 4.936 -5.568 42 HA PHE 6 HA PHE 6 2.998 6.668 -3.261 43 1HB PHE 6 2HB PHE 6 3.700 6.703 -6.074 44 2HB PHE 6 1HB PHE 6 2.934 8.219 -5.596 45 HD1 PHE 6 1HD PHE 6 5.076 5.861 -3.605 46 HD2 PHE 6 2HD PHE 6 4.686 9.775 -5.339 47 HE1 PHE 6 1HE PHE 6 7.168 6.570 -2.478 48 HE2 PHE 6 2HE PHE 6 6.782 10.481 -4.212 49 HZ PHE 6 HZ PHE 6 8.022 8.879 -2.784 50 H TRP 7 H TRP 7 0.310 5.440 -3.686 51 HA TRP 7 HA TRP 7 -1.299 7.844 -4.430 52 1HB TRP 7 2HB TRP 7 -1.888 4.886 -4.068 53 2HB TRP 7 1HB TRP 7 -3.149 6.095 -4.295 54 HD1 TRP 7 HD TRP 7 0.266 5.754 -6.100 55 HE1 TRP 7 1HE TRP 7 -0.182 5.738 -8.631 56 HE3 TRP 7 3HE TRP 7 -4.835 5.850 -6.093 57 HZ2 TRP 7 2HZ TRP 7 -2.407 5.724 -10.430 58 HZ3 TRP 7 3HZ TRP 7 -6.091 5.825 -8.233 59 HH2 TRP 7 HH TRP 7 -4.889 5.761 -10.398 60 H LYS 8 H LYS 8 -1.976 9.073 -2.689 61 HA LYS 8 HA LYS 8 -1.440 8.679 0.003 62 1HB LYS 8 2HB LYS 8 -3.299 10.249 -1.633 63 2HB LYS 8 1HB LYS 8 -3.936 9.923 -0.021 64 1HG LYS 8 2HG LYS 8 -2.711 11.830 0.432 65 2HG LYS 8 1HG LYS 8 -1.474 10.605 0.722 66 1HD LYS 8 2HD LYS 8 -0.486 10.951 -1.423 67 2HD LYS 8 1HD LYS 8 -1.865 11.896 -1.987 68 1HE LYS 8 2HE LYS 8 -1.000 13.234 0.334 69 2HE LYS 8 1HE LYS 8 0.489 12.802 -0.528 70 1HZ LYS 8 1HZ LYS 8 -1.889 14.071 -1.791 71 2HZ LYS 8 2HZ LYS 8 -0.409 13.731 -2.551 72 3HZ LYS 8 3HZ LYS 8 -0.492 14.908 -1.327 73 H CYS 9 H CYS 9 -1.783 6.618 0.872 74 HA CYS 9 HA CYS 9 -4.546 5.470 0.659 75 1HB CYS 9 2HB CYS 9 -3.337 3.360 1.338 76 2HB CYS 9 1HB CYS 9 -2.775 4.054 -0.180 77 H LYS 10 H LYS 10 -5.018 4.004 2.686 78 HA LYS 10 HA LYS 10 -4.598 5.665 5.144 79 1HB LYS 10 2HB LYS 10 -6.886 5.620 4.407 80 2HB LYS 10 1HB LYS 10 -6.819 3.888 4.100 81 1HG LYS 10 2HG LYS 10 -6.671 3.410 6.474 82 2HG LYS 10 1HG LYS 10 -6.524 5.128 6.848 83 1HD LYS 10 2HD LYS 10 -8.776 5.007 7.158 84 2HD LYS 10 1HD LYS 10 -8.837 5.125 5.399 85 1HE LYS 10 2HE LYS 10 -8.637 2.468 6.863 86 2HE LYS 10 1HE LYS 10 -10.183 3.192 6.374 87 1HZ LYS 10 1HZ LYS 10 -9.737 2.087 4.457 88 2HZ LYS 10 2HZ LYS 10 -8.057 2.050 4.720 89 3HZ LYS 10 3HZ LYS 10 -8.796 3.455 4.111 90 H ASN 11 H ASN 11 -5.208 2.251 4.163 91 HA ASN 11 HA ASN 11 -3.345 1.409 6.363 92 1HB ASN 11 2HB ASN 11 -4.790 -0.669 6.419 93 2HB ASN 11 1HB ASN 11 -5.624 0.807 6.897 94 1HD2 ASN 11 1HD2 ASN 11 -5.644 -1.818 4.645 95 2HD2 ASN 11 2HD2 ASN 11 -6.929 -1.261 3.689 96 H LYS 12 H LYS 12 -2.388 -0.875 5.838 97 HA LYS 12 HA LYS 12 -0.981 -0.686 3.338 98 1HB LYS 12 2HB LYS 12 0.107 -2.706 4.111 99 2HB LYS 12 1HB LYS 12 -0.168 -1.674 5.505 100 1HG LYS 12 2HG LYS 12 -2.110 -2.984 6.162 101 2HG LYS 12 1HG LYS 12 -2.002 -3.960 4.695 102 1HD LYS 12 2HD LYS 12 0.446 -3.826 6.389 103 2HD LYS 12 1HD LYS 12 -0.916 -4.740 7.042 104 1HE LYS 12 2HE LYS 12 -0.950 -6.236 5.179 105 2HE LYS 12 1HE LYS 12 0.100 -5.177 4.215 106 1HZ LYS 12 1HZ LYS 12 1.525 -6.812 5.103 107 2HZ LYS 12 2HZ LYS 12 0.800 -6.739 6.638 108 3HZ LYS 12 3HZ LYS 12 1.770 -5.455 6.090 109 H LYS 13 H LYS 13 -3.784 -2.660 4.330 110 HA LYS 13 HA LYS 13 -3.797 -4.307 1.918 111 1HB LYS 13 2HB LYS 13 -4.797 -4.755 4.256 112 2HB LYS 13 1HB LYS 13 -6.130 -3.719 3.753 113 1HG LYS 13 2HG LYS 13 -6.436 -5.198 1.737 114 2HG LYS 13 1HG LYS 13 -5.218 -6.283 2.400 115 1HD LYS 13 2HD LYS 13 -6.711 -7.214 3.817 116 2HD LYS 13 1HD LYS 13 -7.235 -5.633 4.396 117 1HE LYS 13 2HE LYS 13 -9.175 -5.879 3.243 118 2HE LYS 13 1HE LYS 13 -8.250 -5.958 1.731 119 1HZ LYS 13 1HZ LYS 13 -8.840 -8.215 3.579 120 2HZ LYS 13 2HZ LYS 13 -7.778 -8.318 2.254 121 3HZ LYS 13 3HZ LYS 13 -9.426 -8.014 2.001 122 H GLU 14 H GLU 14 -4.492 -1.031 2.334 123 HA GLU 14 HA GLU 14 -6.841 -0.808 0.630 124 1HB GLU 14 2HB GLU 14 -6.269 0.796 2.408 125 2HB GLU 14 1HB GLU 14 -4.749 1.176 1.593 126 1HG GLU 14 2HG GLU 14 -5.824 2.260 -0.176 127 2HG GLU 14 1HG GLU 14 -7.352 1.448 0.136 128 H CYS 15 H CYS 15 -3.383 -0.991 0.085 129 HA CYS 15 HA CYS 15 -3.403 0.303 -2.531 130 1HB CYS 15 2HB CYS 15 -1.340 -1.696 -1.656 131 2HB CYS 15 1HB CYS 15 -1.113 -0.175 -2.518 132 H CYS 16 H CYS 16 -3.174 -0.824 -4.583 133 HA CYS 16 HA CYS 16 -4.887 -3.109 -4.895 134 1HB CYS 16 2HB CYS 16 -2.785 -1.856 -6.686 135 2HB CYS 16 1HB CYS 16 -3.976 -3.041 -7.233 136 H GLY 17 H GLY 17 -4.420 -5.296 -5.041 137 1HA GLY 17 2HA GLY 17 -3.174 -7.277 -4.875 138 2HA GLY 17 1HA GLY 17 -1.759 -6.360 -5.400 139 H TRP 18 H TRP 18 -0.440 -5.377 -3.821 140 HA TRP 18 HA TRP 18 -1.142 -5.446 -0.992 141 1HB TRP 18 2HB TRP 18 0.452 -7.557 -2.324 142 2HB TRP 18 1HB TRP 18 1.144 -6.933 -0.823 143 HD1 TRP 18 HD TRP 18 -1.589 -6.332 0.705 144 HE1 TRP 18 1HE TRP 18 -2.990 -8.319 1.583 145 HE3 TRP 18 3HE TRP 18 0.188 -10.049 -2.299 146 HZ2 TRP 18 2HZ TRP 18 -3.320 -11.119 1.064 147 HZ3 TRP 18 3HZ TRP 18 -0.676 -12.368 -2.098 148 HH2 TRP 18 HH TRP 18 -2.429 -12.904 -0.422 149 H ASN 19 H ASN 19 0.056 -3.965 0.104 150 HA ASN 19 HA ASN 19 2.720 -3.075 -0.729 151 1HB ASN 19 2HB ASN 19 0.588 -2.030 -2.094 152 2HB ASN 19 1HB ASN 19 0.695 -0.897 -0.753 153 1HD2 ASN 19 1HD2 ASN 19 3.870 -1.711 -0.983 154 2HD2 ASN 19 2HD2 ASN 19 4.362 -0.609 -2.179 155 H ALA 20 H ALA 20 2.965 -0.776 0.709 156 HA ALA 20 HA ALA 20 1.673 -1.328 3.353 157 1HB ALA 20 1HB ALA 20 3.948 -0.597 4.277 158 2HB ALA 20 2HB ALA 20 4.556 -0.784 2.634 159 3HB ALA 20 3HB ALA 20 3.897 -2.175 3.494 160 H CYS 21 H CYS 21 0.516 0.441 3.931 161 HA CYS 21 HA CYS 21 0.969 3.075 2.716 162 1HB CYS 21 2HB CYS 21 -1.220 1.844 3.491 163 2HB CYS 21 1HB CYS 21 -0.802 2.456 5.087 164 H ALA 22 H ALA 22 3.145 3.522 3.468 165 HA ALA 22 HA ALA 22 3.498 3.730 6.436 166 1HB ALA 22 1HB ALA 22 5.275 3.291 4.041 167 2HB ALA 22 2HB ALA 22 5.066 2.262 5.462 168 3HB ALA 22 3HB ALA 22 5.967 3.773 5.595 169 H LEU 23 H LEU 23 5.043 5.414 3.690 170 HA LEU 23 HA LEU 23 5.245 7.875 5.285 171 1HB LEU 23 2HB LEU 23 5.927 7.882 2.381 172 2HB LEU 23 1HB LEU 23 6.865 8.458 3.753 173 HG LEU 23 HG LEU 23 6.814 5.709 4.166 174 1HD1 LEU 23 1HD1 LEU 23 6.524 6.336 1.281 175 2HD1 LEU 23 2HD1 LEU 23 6.140 4.854 2.155 176 3HD1 LEU 23 3HD1 LEU 23 7.805 5.193 1.686 177 1HD2 LEU 23 1HD2 LEU 23 9.165 5.774 3.419 178 2HD2 LEU 23 2HD2 LEU 23 8.772 7.175 4.422 179 3HD2 LEU 23 3HD2 LEU 23 8.880 7.347 2.668 180 H GLY 24 H GLY 24 2.563 7.396 5.023 181 1HA GLY 24 2HA GLY 24 0.606 8.567 4.438 182 2HA GLY 24 1HA GLY 24 1.619 9.733 3.590 183 H ILE 25 H ILE 25 2.344 6.571 2.579 184 HA ILE 25 HA ILE 25 0.273 6.402 0.491 185 HB ILE 25 HB ILE 25 2.698 6.233 -0.933 186 1HG1 ILE 25 2HG1 ILE 25 2.603 8.743 0.768 187 2HG1 ILE 25 1HG1 ILE 25 3.848 7.495 0.842 188 1HG2 ILE 25 1HG2 ILE 25 0.628 6.978 -1.870 189 2HG2 ILE 25 2HG2 ILE 25 1.819 8.258 -2.074 190 3HG2 ILE 25 3HG2 ILE 25 0.592 8.385 -0.808 191 1HD1 ILE 25 1HD1 ILE 25 4.607 7.999 -1.367 192 2HD1 ILE 25 2HD1 ILE 25 4.419 9.552 -0.550 193 3HD1 ILE 25 3HD1 ILE 25 3.193 9.001 -1.692 194 H CYS 26 H CYS 26 1.012 4.511 -1.059 195 HA CYS 26 HA CYS 26 1.720 2.208 0.678 196 1HB CYS 26 2HB CYS 26 0.892 2.527 -2.236 197 2HB CYS 26 1HB CYS 26 1.125 0.976 -1.447 198 H MET 27 H MET 27 3.997 1.887 0.917 199 HA MET 27 HA MET 27 5.580 1.919 -1.595 200 1HB MET 27 2HB MET 27 5.641 3.901 0.562 201 2HB MET 27 1HB MET 27 7.236 3.286 0.129 202 1HG MET 27 2HG MET 27 5.368 4.048 -2.086 203 2HG MET 27 1HG MET 27 6.159 5.334 -1.175 204 1HE MET 27 1HE MET 27 6.775 2.657 -4.105 205 2HE MET 27 2HE MET 27 7.690 4.000 -4.784 206 3HE MET 27 3HE MET 27 6.094 4.290 -4.102 207 HA PRO 28 HA PRO 28 8.533 -0.251 1.369 208 1HB PRO 28 2HB PRO 28 8.271 0.051 4.090 209 2HB PRO 28 1HB PRO 28 9.177 1.188 3.067 210 1HG PRO 28 2HG PRO 28 6.414 1.411 4.149 211 2HG PRO 28 1HG PRO 28 7.679 2.642 4.017 212 1HD PRO 28 2HD PRO 28 5.607 2.472 2.271 213 2HD PRO 28 1HD PRO 28 7.212 3.084 1.817 214 H ARG 29 HN ARG 29 6.723 -1.732 0.456 215 HA ARG 29 HA ARG 29 4.633 -2.896 1.929 216 1HB ARG 29 2HB ARG 29 5.449 -3.174 -0.532 217 2HB ARG 29 1HB ARG 29 6.458 -4.471 0.107 218 1HG ARG 29 2HG ARG 29 3.545 -4.424 0.819 219 2HG ARG 29 1HG ARG 29 4.020 -4.997 -0.780 220 1HD ARG 29 2HD ARG 29 5.675 -6.092 1.413 221 2HD ARG 29 1HD ARG 29 3.969 -6.576 1.478 222 HE ARG 29 HE ARG 29 4.887 -6.768 -1.232 223 1HH1 ARG 29 1HH2 ARG 29 5.252 -8.261 1.871 224 2HH1 ARG 29 2HH2 ARG 29 5.597 -9.825 1.230 225 1HH2 ARG 29 1HH1 ARG 29 5.328 -8.817 -2.085 226 2HH2 ARG 29 2HH1 ARG 29 5.640 -10.143 -1.016 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -10.497 3.359 -7.204 2 2H GLY 1 2HT GLY 1 -12.057 3.590 -6.581 3 3H GLY 1 3HT GLY 1 -11.845 2.797 -8.067 4 1HA GLY 1 2HA GLY 1 -12.190 1.552 -5.723 5 2HA GLY 1 1HA GLY 1 -11.392 0.834 -7.122 6 H CYS 2 H CYS 2 -9.782 -0.342 -6.052 7 HA CYS 2 HA CYS 2 -8.258 0.593 -3.802 8 1HB CYS 2 2HB CYS 2 -6.838 -1.334 -4.362 9 2HB CYS 2 1HB CYS 2 -8.533 -1.774 -4.572 10 H LYS 3 H LYS 3 -5.914 1.227 -3.869 11 HA LYS 3 HA LYS 3 -5.288 2.766 -6.370 12 1HB LYS 3 2HB LYS 3 -4.246 3.319 -3.584 13 2HB LYS 3 1HB LYS 3 -4.291 4.403 -4.971 14 1HG LYS 3 2HG LYS 3 -6.866 4.045 -4.893 15 2HG LYS 3 1HG LYS 3 -6.577 3.496 -3.245 16 1HD LYS 3 2HD LYS 3 -5.649 5.609 -2.601 17 2HD LYS 3 1HD LYS 3 -5.532 6.144 -4.279 18 1HE LYS 3 2HE LYS 3 -7.489 7.230 -3.515 19 2HE LYS 3 1HE LYS 3 -8.135 5.784 -4.312 20 1HZ LYS 3 1HZ LYS 3 -7.761 6.308 -1.432 21 2HZ LYS 3 2HZ LYS 3 -7.753 4.697 -1.988 22 3HZ LYS 3 3HZ LYS 3 -9.121 5.690 -2.232 23 H LEU 4 H LEU 4 -2.846 3.192 -6.534 24 HA LEU 4 HA LEU 4 -1.480 0.574 -6.527 25 1HB LEU 4 2HB LEU 4 -1.182 3.296 -7.776 26 2HB LEU 4 1HB LEU 4 0.220 2.237 -7.743 27 HG LEU 4 HG LEU 4 -0.717 0.719 -9.222 28 1HD1 LEU 4 1HD1 LEU 4 -3.450 1.665 -8.318 29 2HD1 LEU 4 2HD1 LEU 4 -2.675 0.153 -7.845 30 3HD1 LEU 4 3HD1 LEU 4 -3.161 0.410 -9.520 31 1HD2 LEU 4 1HD2 LEU 4 -1.940 1.953 -10.962 32 2HD2 LEU 4 2HD2 LEU 4 -0.597 2.914 -10.342 33 3HD2 LEU 4 3HD2 LEU 4 -2.248 3.261 -9.819 34 H THR 5 H THR 5 1.171 1.604 -6.366 35 HA THR 5 HA THR 5 1.697 1.448 -3.566 36 HB THR 5 HB THR 5 3.316 2.272 -5.994 37 HG1 THR 5 1HG THR 5 3.877 0.196 -6.007 38 1HG2 THR 5 1HG2 THR 5 4.434 1.488 -3.290 39 2HG2 THR 5 2HG2 THR 5 4.278 3.167 -3.802 40 3HG2 THR 5 3HG2 THR 5 5.322 2.065 -4.699 41 H PHE 6 H PHE 6 2.655 4.267 -5.578 42 HA PHE 6 HA PHE 6 2.767 5.998 -3.264 43 1HB PHE 6 2HB PHE 6 3.686 5.916 -5.942 44 2HB PHE 6 1HB PHE 6 2.770 7.416 -5.768 45 HD1 PHE 6 1HD PHE 6 4.894 5.462 -3.348 46 HD2 PHE 6 2HD PHE 6 4.295 9.161 -5.438 47 HE1 PHE 6 1HE PHE 6 6.769 6.469 -2.089 48 HE2 PHE 6 2HE PHE 6 6.171 10.175 -4.184 49 HZ PHE 6 HZ PHE 6 7.414 8.831 -2.512 50 H TRP 7 H TRP 7 0.040 4.972 -3.589 51 HA TRP 7 HA TRP 7 -1.414 7.450 -4.419 52 1HB TRP 7 2HB TRP 7 -2.153 4.533 -4.103 53 2HB TRP 7 1HB TRP 7 -3.380 5.789 -4.294 54 HD1 TRP 7 HD TRP 7 0.036 5.374 -6.032 55 HE1 TRP 7 1HE TRP 7 -0.327 5.450 -8.580 56 HE3 TRP 7 3HE TRP 7 -5.043 5.705 -6.167 57 HZ2 TRP 7 2HZ TRP 7 -2.491 5.626 -10.431 58 HZ3 TRP 7 3HZ TRP 7 -6.249 5.841 -8.356 59 HH2 TRP 7 HH TRP 7 -4.980 5.799 -10.461 60 H LYS 8 H LYS 8 -1.838 8.755 -2.709 61 HA LYS 8 HA LYS 8 -1.371 8.445 -0.039 62 1HB LYS 8 2HB LYS 8 -2.803 10.199 -1.683 63 2HB LYS 8 1HB LYS 8 -3.961 9.727 -0.441 64 1HG LYS 8 2HG LYS 8 -2.883 11.548 0.561 65 2HG LYS 8 1HG LYS 8 -1.981 10.183 1.222 66 1HD LYS 8 2HD LYS 8 -0.140 10.547 -0.206 67 2HD LYS 8 1HD LYS 8 -1.088 11.510 -1.339 68 1HE LYS 8 2HE LYS 8 -0.712 12.481 1.499 69 2HE LYS 8 1HE LYS 8 0.543 12.770 0.277 70 1HZ LYS 8 1HZ LYS 8 -2.323 13.339 -0.231 71 2HZ LYS 8 2HZ LYS 8 -0.981 13.865 -1.125 72 3HZ LYS 8 3HZ LYS 8 -1.278 14.503 0.422 73 H CYS 9 H CYS 9 -1.761 6.481 0.944 74 HA CYS 9 HA CYS 9 -4.621 5.571 1.075 75 1HB CYS 9 2HB CYS 9 -3.556 3.329 1.565 76 2HB CYS 9 1HB CYS 9 -3.177 3.967 -0.031 77 H LYS 10 H LYS 10 -4.912 4.167 3.195 78 HA LYS 10 HA LYS 10 -3.674 5.650 5.492 79 1HB LYS 10 2HB LYS 10 -5.839 5.287 6.645 80 2HB LYS 10 1HB LYS 10 -6.039 6.207 5.158 81 1HG LYS 10 2HG LYS 10 -6.695 4.102 3.980 82 2HG LYS 10 1HG LYS 10 -6.591 3.239 5.516 83 1HD LYS 10 2HD LYS 10 -8.344 5.675 5.116 84 2HD LYS 10 1HD LYS 10 -8.923 4.029 4.853 85 1HE LYS 10 2HE LYS 10 -7.831 3.694 7.297 86 2HE LYS 10 1HE LYS 10 -8.247 5.415 7.406 87 1HZ LYS 10 1HZ LYS 10 -10.132 4.027 8.049 88 2HZ LYS 10 2HZ LYS 10 -10.099 3.243 6.545 89 3HZ LYS 10 3HZ LYS 10 -10.484 4.895 6.638 90 H ASN 11 H ASN 11 -4.899 2.531 4.282 91 HA ASN 11 HA ASN 11 -3.310 1.155 6.423 92 1HB ASN 11 2HB ASN 11 -5.008 -0.669 6.170 93 2HB ASN 11 1HB ASN 11 -5.723 0.847 6.706 94 1HD2 ASN 11 1HD2 ASN 11 -6.033 -1.622 4.405 95 2HD2 ASN 11 2HD2 ASN 11 -7.022 -0.798 3.296 96 H LYS 12 H LYS 12 -2.152 -0.757 5.681 97 HA LYS 12 HA LYS 12 -0.979 -0.495 3.086 98 1HB LYS 12 2HB LYS 12 0.189 -2.528 3.706 99 2HB LYS 12 1HB LYS 12 0.030 -1.528 5.140 100 1HG LYS 12 2HG LYS 12 -1.716 -2.892 6.020 101 2HG LYS 12 1HG LYS 12 -1.966 -3.697 4.470 102 1HD LYS 12 2HD LYS 12 -0.715 -5.161 6.024 103 2HD LYS 12 1HD LYS 12 0.274 -4.726 4.630 104 1HE LYS 12 2HE LYS 12 1.261 -2.844 6.039 105 2HE LYS 12 1HE LYS 12 0.435 -3.566 7.434 106 1HZ LYS 12 1HZ LYS 12 2.755 -4.402 7.050 107 2HZ LYS 12 2HZ LYS 12 2.209 -5.106 5.609 108 3HZ LYS 12 3HZ LYS 12 1.570 -5.614 7.098 109 H LYS 13 H LYS 13 -3.831 -2.287 4.144 110 HA LYS 13 HA LYS 13 -3.903 -3.894 1.662 111 1HB LYS 13 2HB LYS 13 -5.636 -3.586 4.118 112 2HB LYS 13 1HB LYS 13 -6.124 -4.592 2.757 113 1HG LYS 13 2HG LYS 13 -3.356 -5.084 3.608 114 2HG LYS 13 1HG LYS 13 -4.540 -5.420 4.874 115 1HD LYS 13 2HD LYS 13 -5.673 -7.023 3.560 116 2HD LYS 13 1HD LYS 13 -4.955 -6.431 2.063 117 1HE LYS 13 2HE LYS 13 -3.684 -8.373 2.462 118 2HE LYS 13 1HE LYS 13 -2.675 -7.125 3.218 119 1HZ LYS 13 1HZ LYS 13 -4.646 -8.903 4.559 120 2HZ LYS 13 2HZ LYS 13 -3.946 -7.554 5.315 121 3HZ LYS 13 3HZ LYS 13 -2.976 -8.852 4.814 122 H GLU 14 H GLU 14 -4.338 -0.730 1.927 123 HA GLU 14 HA GLU 14 -7.030 -0.500 0.710 124 1HB GLU 14 2HB GLU 14 -6.816 1.360 2.008 125 2HB GLU 14 1HB GLU 14 -5.074 1.174 2.108 126 1HG GLU 14 2HG GLU 14 -5.222 3.192 0.980 127 2HG GLU 14 1HG GLU 14 -5.137 2.085 -0.377 128 H CYS 15 H CYS 15 -3.641 -0.556 -0.246 129 HA CYS 15 HA CYS 15 -4.324 0.390 -2.988 130 1HB CYS 15 2HB CYS 15 -1.754 -0.134 -3.252 131 2HB CYS 15 1HB CYS 15 -2.262 1.289 -2.354 132 H CYS 16 H CYS 16 -4.468 -1.016 -4.758 133 HA CYS 16 HA CYS 16 -5.147 -3.731 -4.409 134 1HB CYS 16 2HB CYS 16 -4.547 -1.882 -6.590 135 2HB CYS 16 1HB CYS 16 -4.091 -3.540 -6.983 136 H GLY 17 H GLY 17 -2.001 -2.457 -5.579 137 1HA GLY 17 2HA GLY 17 -0.703 -5.028 -5.504 138 2HA GLY 17 1HA GLY 17 0.125 -3.464 -5.528 139 H TRP 18 H TRP 18 -0.816 -6.100 -3.548 140 HA TRP 18 HA TRP 18 -1.097 -5.072 -0.979 141 1HB TRP 18 2HB TRP 18 0.195 -7.535 -2.124 142 2HB TRP 18 1HB TRP 18 0.222 -7.266 -0.382 143 HD1 TRP 18 HD TRP 18 -2.751 -5.749 -0.500 144 HE1 TRP 18 1HE TRP 18 -4.824 -7.280 -0.603 145 HE3 TRP 18 3HE TRP 18 -0.572 -10.079 -2.151 146 HZ2 TRP 18 2HZ TRP 18 -5.464 -9.985 -1.283 147 HZ3 TRP 18 3HZ TRP 18 -1.942 -12.115 -2.510 148 HH2 TRP 18 HH TRP 18 -4.381 -12.072 -2.079 149 H ASN 19 H ASN 19 0.150 -3.191 -0.724 150 HA ASN 19 HA ASN 19 3.104 -3.571 -0.337 151 1HB ASN 19 2HB ASN 19 1.624 -1.868 -2.016 152 2HB ASN 19 1HB ASN 19 2.127 -0.839 -0.679 153 1HD2 ASN 19 1HD2 ASN 19 3.777 0.308 -1.795 154 2HD2 ASN 19 2HD2 ASN 19 5.170 -0.430 -2.402 155 H ALA 20 H ALA 20 3.454 -1.090 1.050 156 HA ALA 20 HA ALA 20 1.759 -1.520 3.483 157 1HB ALA 20 1HB ALA 20 4.656 -0.664 3.372 158 2HB ALA 20 2HB ALA 20 4.147 -2.341 3.574 159 3HB ALA 20 3HB ALA 20 3.742 -1.140 4.801 160 H CYS 21 H CYS 21 0.635 0.313 4.025 161 HA CYS 21 HA CYS 21 1.206 2.879 2.718 162 1HB CYS 21 2HB CYS 21 -1.051 1.756 3.455 163 2HB CYS 21 1HB CYS 21 -0.668 2.427 5.040 164 H ALA 22 H ALA 22 3.132 3.770 3.488 165 HA ALA 22 HA ALA 22 3.446 3.952 6.477 166 1HB ALA 22 1HB ALA 22 5.962 3.957 5.719 167 2HB ALA 22 2HB ALA 22 5.319 3.325 4.201 168 3HB ALA 22 3HB ALA 22 5.070 2.435 5.705 169 H LEU 23 H LEU 23 4.944 5.474 3.597 170 HA LEU 23 HA LEU 23 5.188 8.023 5.059 171 1HB LEU 23 2HB LEU 23 5.792 7.760 2.132 172 2HB LEU 23 1HB LEU 23 6.705 8.590 3.383 173 HG LEU 23 HG LEU 23 6.576 5.587 2.944 174 1HD1 LEU 23 1HD1 LEU 23 7.989 7.171 1.432 175 2HD1 LEU 23 2HD1 LEU 23 8.755 5.736 2.115 176 3HD1 LEU 23 3HD1 LEU 23 9.029 7.317 2.848 177 1HD2 LEU 23 1HD2 LEU 23 6.763 6.418 5.372 178 2HD2 LEU 23 2HD2 LEU 23 8.339 7.057 4.904 179 3HD2 LEU 23 3HD2 LEU 23 8.021 5.322 4.805 180 H GLY 24 H GLY 24 2.509 7.511 4.898 181 1HA GLY 24 2HA GLY 24 0.524 8.599 4.254 182 2HA GLY 24 1HA GLY 24 1.506 9.726 3.317 183 H ILE 25 H ILE 25 2.302 6.543 2.495 184 HA ILE 25 HA ILE 25 0.214 6.166 0.445 185 HB ILE 25 HB ILE 25 2.654 5.982 -0.957 186 1HG1 ILE 25 2HG1 ILE 25 2.438 8.584 0.579 187 2HG1 ILE 25 1HG1 ILE 25 3.765 7.426 0.667 188 1HG2 ILE 25 1HG2 ILE 25 1.678 7.742 -2.331 189 2HG2 ILE 25 2HG2 ILE 25 0.534 8.130 -1.044 190 3HG2 ILE 25 3HG2 ILE 25 0.455 6.567 -1.859 191 1HD1 ILE 25 1HD1 ILE 25 3.214 9.488 -1.336 192 2HD1 ILE 25 2HD1 ILE 25 3.559 7.909 -2.041 193 3HD1 ILE 25 3HD1 ILE 25 4.728 8.672 -0.960 194 H CYS 26 H CYS 26 0.938 4.152 -0.944 195 HA CYS 26 HA CYS 26 1.796 2.051 0.972 196 1HB CYS 26 2HB CYS 26 0.681 2.184 -1.828 197 2HB CYS 26 1HB CYS 26 1.372 0.682 -1.239 198 H MET 27 H MET 27 4.044 1.646 1.177 199 HA MET 27 HA MET 27 5.643 1.700 -1.334 200 1HB MET 27 2HB MET 27 5.703 3.649 0.876 201 2HB MET 27 1HB MET 27 7.284 3.094 0.333 202 1HG MET 27 2HG MET 27 5.400 3.756 -1.847 203 2HG MET 27 1HG MET 27 5.875 5.123 -0.844 204 1HE MET 27 1HE MET 27 6.750 2.419 -3.268 205 2HE MET 27 2HE MET 27 7.796 1.803 -1.992 206 3HE MET 27 3HE MET 27 8.509 2.450 -3.468 207 HA PRO 28 HA PRO 28 8.576 -0.377 1.741 208 1HB PRO 28 2HB PRO 28 8.154 -0.153 4.439 209 2HB PRO 28 1HB PRO 28 9.071 1.043 3.495 210 1HG PRO 28 2HG PRO 28 6.253 1.134 4.441 211 2HG PRO 28 1HG PRO 28 7.455 2.427 4.356 212 1HD PRO 28 2HD PRO 28 5.444 2.118 2.548 213 2HD PRO 28 1HD PRO 28 7.002 2.878 2.161 214 H ARG 29 HN ARG 29 6.982 -1.985 0.726 215 HA ARG 29 HA ARG 29 4.996 -3.358 2.316 216 1HB ARG 29 2HB ARG 29 5.076 -4.961 0.447 217 2HB ARG 29 1HB ARG 29 5.113 -3.311 -0.166 218 1HG ARG 29 2HG ARG 29 7.806 -4.121 0.346 219 2HG ARG 29 1HG ARG 29 7.018 -5.397 -0.577 220 1HD ARG 29 2HD ARG 29 6.688 -4.058 -2.430 221 2HD ARG 29 1HD ARG 29 6.580 -2.565 -1.476 222 HE ARG 29 HE ARG 29 9.181 -3.501 -1.056 223 1HH1 ARG 29 1HH2 ARG 29 7.230 -2.623 -3.782 224 2HH1 ARG 29 2HH2 ARG 29 8.574 -2.094 -4.729 225 1HH2 ARG 29 1HH1 ARG 29 10.936 -2.816 -2.295 226 2HH2 ARG 29 2HH1 ARG 29 10.678 -2.200 -3.891 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 -13.319 1.335 -3.790 2 2H GLY 1 2HT GLY 1 -12.850 2.708 -4.668 3 3H GLY 1 3HT GLY 1 -11.991 2.254 -3.276 4 1HA GLY 1 2HA GLY 1 -12.036 0.079 -5.061 5 2HA GLY 1 1HA GLY 1 -11.491 1.524 -5.915 6 H CYS 2 H CYS 2 -9.439 0.001 -5.829 7 HA CYS 2 HA CYS 2 -7.937 0.479 -3.273 8 1HB CYS 2 2HB CYS 2 -6.577 -1.448 -4.036 9 2HB CYS 2 1HB CYS 2 -8.285 -1.875 -3.988 10 H LYS 3 H LYS 3 -5.581 1.034 -3.580 11 HA LYS 3 HA LYS 3 -5.179 2.642 -6.089 12 1HB LYS 3 2HB LYS 3 -3.847 3.047 -3.400 13 2HB LYS 3 1HB LYS 3 -3.912 4.160 -4.756 14 1HG LYS 3 2HG LYS 3 -6.163 4.694 -4.400 15 2HG LYS 3 1HG LYS 3 -6.455 3.237 -3.451 16 1HD LYS 3 2HD LYS 3 -5.750 4.209 -1.526 17 2HD LYS 3 1HD LYS 3 -4.356 4.951 -2.309 18 1HE LYS 3 2HE LYS 3 -5.582 6.866 -1.806 19 2HE LYS 3 1HE LYS 3 -6.286 6.496 -3.392 20 1HZ LYS 3 1HZ LYS 3 -8.011 5.216 -2.323 21 2HZ LYS 3 2HZ LYS 3 -7.986 6.769 -1.641 22 3HZ LYS 3 3HZ LYS 3 -7.307 5.454 -0.788 23 H LEU 4 H LEU 4 -2.570 3.130 -6.082 24 HA LEU 4 HA LEU 4 -1.294 0.459 -6.415 25 1HB LEU 4 2HB LEU 4 -0.860 3.239 -7.544 26 2HB LEU 4 1HB LEU 4 0.307 1.954 -7.803 27 HG LEU 4 HG LEU 4 -1.136 1.965 -9.715 28 1HD1 LEU 4 1HD1 LEU 4 -1.833 -0.264 -9.737 29 2HD1 LEU 4 2HD1 LEU 4 -2.340 -0.226 -8.048 30 3HD1 LEU 4 3HD1 LEU 4 -0.624 -0.258 -8.452 31 1HD2 LEU 4 1HD2 LEU 4 -3.404 2.309 -9.671 32 2HD2 LEU 4 2HD2 LEU 4 -3.010 3.095 -8.143 33 3HD2 LEU 4 3HD2 LEU 4 -3.614 1.439 -8.155 34 H THR 5 H THR 5 1.258 2.456 -6.435 35 HA THR 5 HA THR 5 2.000 1.823 -3.657 36 HB THR 5 HB THR 5 3.939 3.288 -5.277 37 HG1 THR 5 1HG THR 5 4.056 1.869 -6.975 38 1HG2 THR 5 1HG2 THR 5 5.193 1.098 -4.948 39 2HG2 THR 5 2HG2 THR 5 3.783 0.527 -4.060 40 3HG2 THR 5 3HG2 THR 5 4.684 1.921 -3.468 41 H PHE 6 H PHE 6 2.828 4.755 -5.516 42 HA PHE 6 HA PHE 6 2.767 6.431 -3.161 43 1HB PHE 6 2HB PHE 6 3.715 6.463 -5.851 44 2HB PHE 6 1HB PHE 6 2.741 7.913 -5.617 45 HD1 PHE 6 1HD PHE 6 3.894 9.795 -4.846 46 HD2 PHE 6 2HD PHE 6 5.241 5.892 -3.638 47 HE1 PHE 6 1HE PHE 6 5.738 10.810 -3.557 48 HE2 PHE 6 2HE PHE 6 7.065 6.941 -2.345 49 HZ PHE 6 HZ PHE 6 7.308 9.387 -2.310 50 H TRP 7 H TRP 7 0.167 5.240 -3.536 51 HA TRP 7 HA TRP 7 -1.491 7.561 -4.419 52 1HB TRP 7 2HB TRP 7 -1.991 4.600 -4.025 53 2HB TRP 7 1HB TRP 7 -3.290 5.756 -4.305 54 HD1 TRP 7 HD TRP 7 0.167 5.317 -5.986 55 HE1 TRP 7 1HE TRP 7 -0.180 5.294 -8.533 56 HE3 TRP 7 3HE TRP 7 -4.911 5.688 -6.169 57 HZ2 TRP 7 2HZ TRP 7 -2.338 5.398 -10.412 58 HZ3 TRP 7 3HZ TRP 7 -6.089 5.720 -8.349 59 HH2 TRP 7 HH TRP 7 -4.813 5.577 -10.470 60 H LYS 8 H LYS 8 -1.371 8.810 -2.476 61 HA LYS 8 HA LYS 8 -1.242 8.422 0.144 62 1HB LYS 8 2HB LYS 8 -3.420 9.950 0.313 63 2HB LYS 8 1HB LYS 8 -1.927 10.568 -0.379 64 1HG LYS 8 2HG LYS 8 -3.184 11.117 -2.184 65 2HG LYS 8 1HG LYS 8 -3.171 9.402 -2.574 66 1HD LYS 8 2HD LYS 8 -5.297 9.040 -1.717 67 2HD LYS 8 1HD LYS 8 -5.210 10.422 -0.627 68 1HE LYS 8 2HE LYS 8 -5.365 10.665 -3.658 69 2HE LYS 8 1HE LYS 8 -6.759 10.811 -2.572 70 1HZ LYS 8 1HZ LYS 8 -6.074 12.979 -2.628 71 2HZ LYS 8 2HZ LYS 8 -4.439 12.589 -2.860 72 3HZ LYS 8 3HZ LYS 8 -5.144 12.439 -1.321 73 H CYS 9 H CYS 9 -1.731 6.401 1.046 74 HA CYS 9 HA CYS 9 -4.597 5.513 0.897 75 1HB CYS 9 2HB CYS 9 -3.515 3.305 1.666 76 2HB CYS 9 1HB CYS 9 -3.138 3.847 0.034 77 H LYS 10 H LYS 10 -5.415 4.395 2.870 78 HA LYS 10 HA LYS 10 -4.621 5.849 5.363 79 1HB LYS 10 2HB LYS 10 -7.113 4.270 4.595 80 2HB LYS 10 1HB LYS 10 -6.911 5.193 6.084 81 1HG LYS 10 2HG LYS 10 -7.373 7.148 5.060 82 2HG LYS 10 1HG LYS 10 -6.350 6.774 3.673 83 1HD LYS 10 2HD LYS 10 -8.074 5.863 2.474 84 2HD LYS 10 1HD LYS 10 -8.851 5.190 3.907 85 1HE LYS 10 2HE LYS 10 -8.843 8.128 3.905 86 2HE LYS 10 1HE LYS 10 -9.732 7.437 2.535 87 1HZ LYS 10 1HZ LYS 10 -10.977 6.050 4.016 88 2HZ LYS 10 2HZ LYS 10 -11.086 7.644 4.585 89 3HZ LYS 10 3HZ LYS 10 -10.053 6.538 5.354 90 H ASN 11 H ASN 11 -5.489 2.610 4.090 91 HA ASN 11 HA ASN 11 -3.926 1.414 6.364 92 1HB ASN 11 2HB ASN 11 -5.583 -0.512 6.130 93 2HB ASN 11 1HB ASN 11 -6.258 0.994 6.746 94 1HD2 ASN 11 1HD2 ASN 11 -6.331 -1.247 4.045 95 2HD2 ASN 11 2HD2 ASN 11 -7.558 -0.457 3.183 96 H LYS 12 H LYS 12 -2.898 -0.649 5.850 97 HA LYS 12 HA LYS 12 -1.379 -0.651 3.453 98 1HB LYS 12 2HB LYS 12 -0.833 -1.757 5.630 99 2HB LYS 12 1HB LYS 12 -2.082 -2.958 5.301 100 1HG LYS 12 2HG LYS 12 -0.800 -3.399 3.094 101 2HG LYS 12 1HG LYS 12 0.529 -2.523 3.855 102 1HD LYS 12 2HD LYS 12 -0.297 -4.267 5.854 103 2HD LYS 12 1HD LYS 12 -0.449 -5.238 4.390 104 1HE LYS 12 2HE LYS 12 2.053 -3.617 4.948 105 2HE LYS 12 1HE LYS 12 1.860 -5.269 5.564 106 1HZ LYS 12 1HZ LYS 12 1.677 -4.396 2.715 107 2HZ LYS 12 2HZ LYS 12 1.295 -5.964 3.263 108 3HZ LYS 12 3HZ LYS 12 2.884 -5.378 3.404 109 H LYS 13 H LYS 13 -4.385 -2.476 4.203 110 HA LYS 13 HA LYS 13 -4.353 -3.988 1.719 111 1HB LYS 13 2HB LYS 13 -6.345 -3.389 3.893 112 2HB LYS 13 1HB LYS 13 -6.854 -4.233 2.431 113 1HG LYS 13 2HG LYS 13 -4.977 -5.878 2.825 114 2HG LYS 13 1HG LYS 13 -4.719 -5.106 4.393 115 1HD LYS 13 2HD LYS 13 -6.808 -5.784 5.222 116 2HD LYS 13 1HD LYS 13 -7.470 -6.053 3.609 117 1HE LYS 13 2HE LYS 13 -5.530 -7.883 3.489 118 2HE LYS 13 1HE LYS 13 -5.709 -7.839 5.254 119 1HZ LYS 13 1HZ LYS 13 -8.205 -7.932 4.775 120 2HZ LYS 13 2HZ LYS 13 -7.320 -9.361 4.559 121 3HZ LYS 13 3HZ LYS 13 -7.770 -8.434 3.213 122 H GLU 14 H GLU 14 -4.894 -0.676 2.170 123 HA GLU 14 HA GLU 14 -7.165 -0.207 0.471 124 1HB GLU 14 2HB GLU 14 -6.220 1.374 2.121 125 2HB GLU 14 1HB GLU 14 -4.747 1.502 1.158 126 1HG GLU 14 2HG GLU 14 -5.808 2.656 -0.552 127 2HG GLU 14 1HG GLU 14 -7.397 2.038 -0.130 128 H CYS 15 H CYS 15 -3.681 -0.599 -0.190 129 HA CYS 15 HA CYS 15 -4.026 0.168 -3.019 130 1HB CYS 15 2HB CYS 15 -1.681 -1.055 -1.532 131 2HB CYS 15 1HB CYS 15 -1.615 -0.258 -3.106 132 H CYS 16 H CYS 16 -4.414 -1.304 -4.671 133 HA CYS 16 HA CYS 16 -5.226 -3.998 -4.165 134 1HB CYS 16 2HB CYS 16 -4.662 -2.250 -6.462 135 2HB CYS 16 1HB CYS 16 -4.367 -3.954 -6.804 136 H GLY 17 H GLY 17 -2.122 -2.791 -5.508 137 1HA GLY 17 2HA GLY 17 -0.849 -5.393 -5.389 138 2HA GLY 17 1HA GLY 17 -0.018 -3.837 -5.573 139 H TRP 18 H TRP 18 -0.848 -6.313 -3.357 140 HA TRP 18 HA TRP 18 -1.000 -5.101 -0.867 141 1HB TRP 18 2HB TRP 18 0.332 -7.643 -1.814 142 2HB TRP 18 1HB TRP 18 0.172 -7.255 -0.100 143 HD1 TRP 18 HD TRP 18 -2.645 -6.083 0.116 144 HE1 TRP 18 1HE TRP 18 -4.749 -7.487 -0.386 145 HE3 TRP 18 3HE TRP 18 -0.592 -9.738 -2.781 146 HZ2 TRP 18 2HZ TRP 18 -5.459 -9.853 -1.829 147 HZ3 TRP 18 3HZ TRP 18 -1.997 -11.554 -3.703 148 HH2 TRP 18 HH TRP 18 -4.420 -11.616 -3.232 149 H ASN 19 H ASN 19 0.243 -3.243 -0.744 150 HA ASN 19 HA ASN 19 3.225 -3.564 -0.527 151 1HB ASN 19 2HB ASN 19 1.619 -1.923 -2.131 152 2HB ASN 19 1HB ASN 19 2.118 -0.865 -0.814 153 1HD2 ASN 19 1HD2 ASN 19 3.765 0.335 -1.889 154 2HD2 ASN 19 2HD2 ASN 19 5.133 -0.374 -2.586 155 H ALA 20 H ALA 20 3.297 -0.869 0.758 156 HA ALA 20 HA ALA 20 1.914 -1.473 3.340 157 1HB ALA 20 1HB ALA 20 4.199 -2.284 3.506 158 2HB ALA 20 2HB ALA 20 4.073 -0.799 4.449 159 3HB ALA 20 3HB ALA 20 4.823 -0.768 2.852 160 H CYS 21 H CYS 21 0.741 0.303 3.940 161 HA CYS 21 HA CYS 21 1.189 2.928 2.698 162 1HB CYS 21 2HB CYS 21 -1.007 1.708 3.530 163 2HB CYS 21 1HB CYS 21 -0.558 2.385 5.093 164 H ALA 22 H ALA 22 3.306 3.502 3.396 165 HA ALA 22 HA ALA 22 3.764 3.675 6.354 166 1HB ALA 22 1HB ALA 22 6.196 3.761 5.470 167 2HB ALA 22 2HB ALA 22 5.501 3.327 3.900 168 3HB ALA 22 3HB ALA 22 5.325 2.244 5.287 169 H LEU 23 H LEU 23 5.229 5.384 3.604 170 HA LEU 23 HA LEU 23 5.372 7.870 5.159 171 1HB LEU 23 2HB LEU 23 5.987 7.857 2.239 172 2HB LEU 23 1HB LEU 23 6.937 8.490 3.577 173 HG LEU 23 HG LEU 23 6.966 5.729 4.013 174 1HD1 LEU 23 1HD1 LEU 23 6.199 5.003 1.935 175 2HD1 LEU 23 2HD1 LEU 23 7.935 5.095 1.641 176 3HD1 LEU 23 3HD1 LEU 23 6.878 6.393 1.087 177 1HD2 LEU 23 1HD2 LEU 23 8.921 7.032 4.364 178 2HD2 LEU 23 2HD2 LEU 23 8.928 7.609 2.695 179 3HD2 LEU 23 3HD2 LEU 23 9.324 5.923 3.051 180 H GLY 24 H GLY 24 2.716 7.327 5.004 181 1HA GLY 24 2HA GLY 24 0.701 8.432 4.455 182 2HA GLY 24 1HA GLY 24 1.652 9.587 3.524 183 H ILE 25 H ILE 25 2.478 6.480 2.536 184 HA ILE 25 HA ILE 25 0.316 6.126 0.557 185 HB ILE 25 HB ILE 25 2.650 6.047 -0.988 186 1HG1 ILE 25 2HG1 ILE 25 2.617 8.494 0.794 187 2HG1 ILE 25 1HG1 ILE 25 3.920 7.315 0.655 188 1HG2 ILE 25 1HG2 ILE 25 0.385 6.800 -1.639 189 2HG2 ILE 25 2HG2 ILE 25 1.649 7.916 -2.153 190 3HG2 ILE 25 3HG2 ILE 25 0.657 8.298 -0.745 191 1HD1 ILE 25 1HD1 ILE 25 4.774 8.760 -0.874 192 2HD1 ILE 25 2HD1 ILE 25 3.226 9.575 -1.095 193 3HD1 ILE 25 3HD1 ILE 25 3.562 8.075 -1.957 194 H CYS 26 H CYS 26 1.056 4.208 -0.957 195 HA CYS 26 HA CYS 26 2.035 2.028 0.790 196 1HB CYS 26 2HB CYS 26 0.706 2.349 -1.878 197 2HB CYS 26 1HB CYS 26 1.582 0.853 -1.562 198 H MET 27 H MET 27 4.268 1.720 0.868 199 HA MET 27 HA MET 27 5.768 1.884 -1.693 200 1HB MET 27 2HB MET 27 5.853 3.811 0.556 201 2HB MET 27 1HB MET 27 7.418 3.356 -0.116 202 1HG MET 27 2HG MET 27 5.091 4.220 -1.846 203 2HG MET 27 1HG MET 27 6.268 5.368 -1.221 204 1HE MET 27 1HE MET 27 8.680 5.818 -2.940 205 2HE MET 27 2HE MET 27 9.553 4.366 -2.456 206 3HE MET 27 3HE MET 27 8.519 5.191 -1.294 207 HA PRO 28 HA PRO 28 8.828 -0.196 1.232 208 1HB PRO 28 2HB PRO 28 8.630 0.145 3.944 209 2HB PRO 28 1HB PRO 28 9.477 1.296 2.888 210 1HG PRO 28 2HG PRO 28 6.751 1.459 4.059 211 2HG PRO 28 1HG PRO 28 7.967 2.726 3.843 212 1HD PRO 28 2HD PRO 28 5.819 2.407 2.189 213 2HD PRO 28 1HD PRO 28 7.359 3.125 1.670 214 H ARG 29 HN ARG 29 7.124 -1.772 0.391 215 HA ARG 29 HA ARG 29 5.053 -2.917 1.947 216 1HB ARG 29 2HB ARG 29 5.306 -4.816 0.363 217 2HB ARG 29 1HB ARG 29 5.348 -3.258 -0.456 218 1HG ARG 29 2HG ARG 29 7.192 -4.271 -1.446 219 2HG ARG 29 1HG ARG 29 7.978 -3.506 -0.065 220 1HD ARG 29 2HD ARG 29 8.537 -5.509 0.841 221 2HD ARG 29 1HD ARG 29 6.900 -6.158 0.615 222 HE ARG 29 HE ARG 29 9.141 -6.389 -1.264 223 1HH1 ARG 29 1HH2 ARG 29 5.704 -6.433 -0.808 224 2HH1 ARG 29 2HH2 ARG 29 5.401 -7.390 -2.214 225 1HH2 ARG 29 1HH1 ARG 29 8.781 -7.691 -3.041 226 2HH2 ARG 29 2HH1 ARG 29 7.162 -8.082 -3.493 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -12.123 -1.762 -3.845 2 2H GLY 1 2HT GLY 1 -12.057 -2.278 -5.461 3 3H GLY 1 3HT GLY 1 -13.314 -1.264 -4.943 4 1HA GLY 1 2HA GLY 1 -11.401 -0.214 -6.251 5 2HA GLY 1 1HA GLY 1 -11.959 0.591 -4.783 6 H CYS 2 H CYS 2 -9.274 0.766 -5.897 7 HA CYS 2 HA CYS 2 -7.743 0.301 -3.486 8 1HB CYS 2 2HB CYS 2 -6.454 -1.574 -4.140 9 2HB CYS 2 1HB CYS 2 -8.094 -2.014 -4.612 10 H LYS 3 H LYS 3 -5.477 1.062 -3.764 11 HA LYS 3 HA LYS 3 -5.136 2.723 -6.246 12 1HB LYS 3 2HB LYS 3 -4.078 3.267 -3.443 13 2HB LYS 3 1HB LYS 3 -4.003 4.348 -4.828 14 1HG LYS 3 2HG LYS 3 -6.417 4.577 -4.885 15 2HG LYS 3 1HG LYS 3 -6.601 3.351 -3.634 16 1HD LYS 3 2HD LYS 3 -4.798 5.478 -2.776 17 2HD LYS 3 1HD LYS 3 -6.384 6.111 -3.222 18 1HE LYS 3 2HE LYS 3 -7.357 4.184 -1.787 19 2HE LYS 3 1HE LYS 3 -5.724 4.051 -1.106 20 1HZ LYS 3 1HZ LYS 3 -5.821 6.516 -0.752 21 2HZ LYS 3 2HZ LYS 3 -6.892 5.609 0.219 22 3HZ LYS 3 3HZ LYS 3 -7.474 6.449 -1.145 23 H LEU 4 H LEU 4 -2.649 3.293 -6.438 24 HA LEU 4 HA LEU 4 -1.201 0.730 -6.555 25 1HB LEU 4 2HB LEU 4 -0.756 3.537 -7.600 26 2HB LEU 4 1HB LEU 4 0.434 2.268 -7.829 27 HG LEU 4 HG LEU 4 -0.873 2.257 -9.816 28 1HD1 LEU 4 1HD1 LEU 4 -2.277 0.151 -8.187 29 2HD1 LEU 4 2HD1 LEU 4 -0.555 0.022 -8.552 30 3HD1 LEU 4 3HD1 LEU 4 -1.735 0.071 -9.862 31 1HD2 LEU 4 1HD2 LEU 4 -3.093 2.769 -9.945 32 2HD2 LEU 4 2HD2 LEU 4 -2.808 3.472 -8.354 33 3HD2 LEU 4 3HD2 LEU 4 -3.492 1.855 -8.494 34 H THR 5 H THR 5 1.351 2.570 -6.377 35 HA THR 5 HA THR 5 1.836 2.003 -3.550 36 HB THR 5 HB THR 5 3.962 3.408 -4.918 37 HG1 THR 5 1HG THR 5 4.042 2.396 -6.796 38 1HG2 THR 5 1HG2 THR 5 3.668 1.296 -3.180 39 2HG2 THR 5 2HG2 THR 5 5.174 1.740 -3.981 40 3HG2 THR 5 3HG2 THR 5 4.144 0.489 -4.676 41 H PHE 6 H PHE 6 2.759 4.908 -5.402 42 HA PHE 6 HA PHE 6 2.661 6.602 -3.073 43 1HB PHE 6 2HB PHE 6 3.561 6.674 -5.806 44 2HB PHE 6 1HB PHE 6 2.659 8.147 -5.457 45 HD1 PHE 6 1HD PHE 6 4.987 5.929 -3.502 46 HD2 PHE 6 2HD PHE 6 4.027 9.912 -4.802 47 HE1 PHE 6 1HE PHE 6 6.906 6.813 -2.211 48 HE2 PHE 6 2HE PHE 6 5.951 10.790 -3.513 49 HZ PHE 6 HZ PHE 6 7.388 9.245 -2.217 50 H TRP 7 H TRP 7 0.025 5.375 -3.565 51 HA TRP 7 HA TRP 7 -1.596 7.757 -4.357 52 1HB TRP 7 2HB TRP 7 -2.124 4.788 -4.055 53 2HB TRP 7 1HB TRP 7 -3.417 5.957 -4.315 54 HD1 TRP 7 HD TRP 7 0.073 5.567 -5.952 55 HE1 TRP 7 1HE TRP 7 -0.232 5.604 -8.512 56 HE3 TRP 7 3HE TRP 7 -5.028 5.911 -6.226 57 HZ2 TRP 7 2HZ TRP 7 -2.355 5.746 -10.417 58 HZ3 TRP 7 3HZ TRP 7 -6.156 5.979 -8.412 59 HH2 TRP 7 HH TRP 7 -4.834 5.904 -10.515 60 H LYS 8 H LYS 8 -2.018 8.994 -2.549 61 HA LYS 8 HA LYS 8 -1.654 8.610 0.109 62 1HB LYS 8 2HB LYS 8 -3.027 10.400 -1.453 63 2HB LYS 8 1HB LYS 8 -4.341 9.691 -0.516 64 1HG LYS 8 2HG LYS 8 -3.669 11.420 0.887 65 2HG LYS 8 1HG LYS 8 -2.722 10.071 1.516 66 1HD LYS 8 2HD LYS 8 -0.810 10.785 0.068 67 2HD LYS 8 1HD LYS 8 -1.761 12.183 -0.439 68 1HE LYS 8 2HE LYS 8 -1.796 12.035 2.442 69 2HE LYS 8 1HE LYS 8 -0.114 11.990 1.871 70 1HZ LYS 8 1HZ LYS 8 -0.989 14.282 2.068 71 2HZ LYS 8 2HZ LYS 8 -2.170 13.921 0.904 72 3HZ LYS 8 3HZ LYS 8 -0.525 13.899 0.484 73 H CYS 9 H CYS 9 -1.947 6.597 1.036 74 HA CYS 9 HA CYS 9 -4.718 5.426 0.908 75 1HB CYS 9 2HB CYS 9 -3.599 3.597 0.210 76 2HB CYS 9 1HB CYS 9 -2.058 4.409 0.461 77 H LYS 10 H LYS 10 -5.669 4.670 2.845 78 HA LYS 10 HA LYS 10 -4.625 5.924 5.326 79 1HB LYS 10 2HB LYS 10 -7.054 5.903 4.242 80 2HB LYS 10 1HB LYS 10 -7.181 4.363 5.095 81 1HG LYS 10 2HG LYS 10 -7.874 5.720 6.798 82 2HG LYS 10 1HG LYS 10 -6.139 5.855 7.075 83 1HD LYS 10 2HD LYS 10 -6.051 8.018 6.343 84 2HD LYS 10 1HD LYS 10 -7.259 7.752 5.086 85 1HE LYS 10 2HE LYS 10 -8.045 7.767 8.011 86 2HE LYS 10 1HE LYS 10 -7.951 9.271 7.075 87 1HZ LYS 10 1HZ LYS 10 -9.374 6.917 5.989 88 2HZ LYS 10 2HZ LYS 10 -9.565 8.557 5.593 89 3HZ LYS 10 3HZ LYS 10 -10.154 7.963 7.067 90 H ASN 11 H ASN 11 -5.194 2.726 3.916 91 HA ASN 11 HA ASN 11 -3.842 1.508 6.290 92 1HB ASN 11 2HB ASN 11 -5.876 0.685 6.866 93 2HB ASN 11 1HB ASN 11 -6.591 1.212 5.347 94 1HD2 ASN 11 1HD2 ASN 11 -7.041 -0.392 3.821 95 2HD2 ASN 11 2HD2 ASN 11 -6.562 -2.005 3.959 96 H LYS 12 H LYS 12 -2.535 -0.310 5.751 97 HA LYS 12 HA LYS 12 -1.232 -0.363 3.275 98 1HB LYS 12 2HB LYS 12 -0.323 -2.509 4.081 99 2HB LYS 12 1HB LYS 12 -0.394 -1.330 5.380 100 1HG LYS 12 2HG LYS 12 -2.741 -2.407 5.869 101 2HG LYS 12 1HG LYS 12 -2.107 -3.760 4.934 102 1HD LYS 12 2HD LYS 12 -0.302 -2.647 7.018 103 2HD LYS 12 1HD LYS 12 -1.727 -3.511 7.594 104 1HE LYS 12 2HE LYS 12 -0.851 -5.206 5.611 105 2HE LYS 12 1HE LYS 12 0.683 -4.578 6.244 106 1HZ LYS 12 1HZ LYS 12 0.097 -5.188 8.432 107 2HZ LYS 12 2HZ LYS 12 -0.270 -6.541 7.474 108 3HZ LYS 12 3HZ LYS 12 -1.514 -5.521 8.015 109 H LYS 13 H LYS 13 -4.023 -2.400 4.264 110 HA LYS 13 HA LYS 13 -4.025 -3.954 1.804 111 1HB LYS 13 2HB LYS 13 -5.518 -3.731 4.312 112 2HB LYS 13 1HB LYS 13 -6.576 -4.059 2.938 113 1HG LYS 13 2HG LYS 13 -4.627 -5.812 2.364 114 2HG LYS 13 1HG LYS 13 -4.422 -5.753 4.117 115 1HD LYS 13 2HD LYS 13 -7.171 -5.907 3.832 116 2HD LYS 13 1HD LYS 13 -6.588 -6.936 2.523 117 1HE LYS 13 2HE LYS 13 -5.483 -8.410 4.005 118 2HE LYS 13 1HE LYS 13 -5.456 -7.216 5.317 119 1HZ LYS 13 1HZ LYS 13 -7.845 -7.329 5.473 120 2HZ LYS 13 2HZ LYS 13 -7.219 -8.898 5.611 121 3HZ LYS 13 3HZ LYS 13 -7.934 -8.396 4.158 122 H GLU 14 H GLU 14 -4.672 -0.710 2.155 123 HA GLU 14 HA GLU 14 -7.130 -0.495 0.600 124 1HB GLU 14 2HB GLU 14 -6.374 1.106 2.340 125 2HB GLU 14 1HB GLU 14 -4.965 1.499 1.356 126 1HG GLU 14 2HG GLU 14 -6.215 2.631 -0.226 127 2HG GLU 14 1HG GLU 14 -7.674 1.718 0.127 128 H CYS 15 H CYS 15 -3.720 -0.767 -0.142 129 HA CYS 15 HA CYS 15 -4.118 0.281 -2.903 130 1HB CYS 15 2HB CYS 15 -1.663 -0.688 -1.403 131 2HB CYS 15 1HB CYS 15 -1.646 0.064 -2.997 132 H CYS 16 H CYS 16 -3.626 -1.040 -4.759 133 HA CYS 16 HA CYS 16 -4.325 -3.866 -4.454 134 1HB CYS 16 2HB CYS 16 -3.877 -1.882 -6.601 135 2HB CYS 16 1HB CYS 16 -3.455 -3.537 -7.037 136 H GLY 17 H GLY 17 -2.844 -5.651 -5.056 137 1HA GLY 17 2HA GLY 17 -0.742 -6.735 -5.092 138 2HA GLY 17 1HA GLY 17 -0.033 -5.189 -5.569 139 H TRP 18 H TRP 18 -1.660 -6.543 -2.716 140 HA TRP 18 HA TRP 18 -1.331 -5.503 -0.481 141 1HB TRP 18 2HB TRP 18 0.206 -7.912 -1.357 142 2HB TRP 18 1HB TRP 18 0.410 -7.347 0.300 143 HD1 TRP 18 HD TRP 18 -2.672 -6.277 0.549 144 HE1 TRP 18 1HE TRP 18 -4.520 -8.038 0.930 145 HE3 TRP 18 3HE TRP 18 -0.259 -10.463 -1.101 146 HZ2 TRP 18 2HZ TRP 18 -4.917 -10.849 0.592 147 HZ3 TRP 18 3HZ TRP 18 -1.391 -12.669 -1.058 148 HH2 TRP 18 HH TRP 18 -3.715 -12.866 -0.215 149 H ASN 19 H ASN 19 -0.289 -3.383 -1.105 150 HA ASN 19 HA ASN 19 2.670 -3.321 -0.739 151 1HB ASN 19 2HB ASN 19 0.843 -1.980 -2.377 152 2HB ASN 19 1HB ASN 19 1.253 -0.789 -1.144 153 1HD2 ASN 19 1HD2 ASN 19 3.601 -0.245 -0.906 154 2HD2 ASN 19 2HD2 ASN 19 4.661 -0.502 -2.202 155 H ALA 20 H ALA 20 3.477 -1.641 0.858 156 HA ALA 20 HA ALA 20 1.771 -1.670 3.294 157 1HB ALA 20 1HB ALA 20 4.671 -0.922 2.909 158 2HB ALA 20 2HB ALA 20 4.117 -2.560 3.257 159 3HB ALA 20 3HB ALA 20 3.874 -1.276 4.444 160 H CYS 21 H CYS 21 0.889 0.183 4.094 161 HA CYS 21 HA CYS 21 1.389 2.748 2.699 162 1HB CYS 21 2HB CYS 21 -0.812 1.529 3.800 163 2HB CYS 21 1HB CYS 21 -0.338 2.595 5.116 164 H ALA 22 H ALA 22 3.378 3.578 3.364 165 HA ALA 22 HA ALA 22 3.888 3.666 6.323 166 1HB ALA 22 1HB ALA 22 5.442 2.196 5.318 167 2HB ALA 22 2HB ALA 22 6.329 3.712 5.469 168 3HB ALA 22 3HB ALA 22 5.647 3.238 3.907 169 H LEU 23 H LEU 23 5.459 5.316 3.575 170 HA LEU 23 HA LEU 23 5.730 7.806 5.049 171 1HB LEU 23 2HB LEU 23 6.213 6.835 2.226 172 2HB LEU 23 1HB LEU 23 6.486 8.517 2.657 173 HG LEU 23 HG LEU 23 8.384 8.039 3.858 174 1HD1 LEU 23 1HD1 LEU 23 7.106 6.695 5.562 175 2HD1 LEU 23 2HD1 LEU 23 8.731 6.087 5.250 176 3HD1 LEU 23 3HD1 LEU 23 7.338 5.277 4.539 177 1HD2 LEU 23 1HD2 LEU 23 8.619 5.327 2.718 178 2HD2 LEU 23 2HD2 LEU 23 9.665 6.735 2.512 179 3HD2 LEU 23 3HD2 LEU 23 8.196 6.577 1.546 180 H GLY 24 H GLY 24 2.983 7.365 5.122 181 1HA GLY 24 2HA GLY 24 0.998 8.579 4.740 182 2HA GLY 24 1HA GLY 24 1.933 9.717 3.770 183 H ILE 25 H ILE 25 2.548 6.618 2.647 184 HA ILE 25 HA ILE 25 0.203 6.385 0.874 185 HB ILE 25 HB ILE 25 2.561 6.334 -0.769 186 1HG1 ILE 25 2HG1 ILE 25 2.145 8.932 0.741 187 2HG1 ILE 25 1HG1 ILE 25 3.570 7.898 0.838 188 1HG2 ILE 25 1HG2 ILE 25 1.312 8.120 -1.980 189 2HG2 ILE 25 2HG2 ILE 25 0.129 8.104 -0.671 190 3HG2 ILE 25 3HG2 ILE 25 0.374 6.664 -1.660 191 1HD1 ILE 25 1HD1 ILE 25 3.692 9.931 -0.748 192 2HD1 ILE 25 2HD1 ILE 25 2.615 9.012 -1.799 193 3HD1 ILE 25 3HD1 ILE 25 4.206 8.373 -1.392 194 H CYS 26 H CYS 26 0.963 4.508 -0.862 195 HA CYS 26 HA CYS 26 1.883 2.265 0.859 196 1HB CYS 26 2HB CYS 26 0.554 2.614 -1.818 197 2HB CYS 26 1HB CYS 26 1.276 1.061 -1.400 198 H MET 27 H MET 27 4.085 1.756 0.866 199 HA MET 27 HA MET 27 5.545 1.984 -1.713 200 1HB MET 27 2HB MET 27 5.851 3.724 0.667 201 2HB MET 27 1HB MET 27 7.347 3.203 -0.106 202 1HG MET 27 2HG MET 27 5.200 4.118 -1.931 203 2HG MET 27 1HG MET 27 5.926 5.363 -0.918 204 1HE MET 27 1HE MET 27 9.681 4.842 -1.489 205 2HE MET 27 2HE MET 27 8.409 4.924 -0.274 206 3HE MET 27 3HE MET 27 8.631 6.267 -1.389 207 HA PRO 28 HA PRO 28 8.549 -0.504 0.913 208 1HB PRO 28 2HB PRO 28 8.497 -0.363 3.643 209 2HB PRO 28 1HB PRO 28 9.375 0.803 2.635 210 1HG PRO 28 2HG PRO 28 6.725 1.073 3.952 211 2HG PRO 28 1HG PRO 28 8.027 2.256 3.767 212 1HD PRO 28 2HD PRO 28 5.795 2.233 2.202 213 2HD PRO 28 1HD PRO 28 7.369 2.860 1.667 214 H ARG 29 HN ARG 29 6.724 -1.928 0.050 215 HA ARG 29 HA ARG 29 4.630 -3.037 1.570 216 1HB ARG 29 2HB ARG 29 4.521 -4.646 -0.158 217 2HB ARG 29 1HB ARG 29 5.297 -3.265 -0.923 218 1HG ARG 29 2HG ARG 29 6.988 -4.620 -1.502 219 2HG ARG 29 1HG ARG 29 7.402 -4.761 0.207 220 1HD ARG 29 2HD ARG 29 5.399 -6.554 0.157 221 2HD ARG 29 1HD ARG 29 5.891 -6.662 -1.542 222 HE ARG 29 HE ARG 29 8.102 -7.338 -0.845 223 1HH1 ARG 29 1HH2 ARG 29 5.943 -6.741 1.826 224 2HH1 ARG 29 2HH2 ARG 29 6.901 -7.638 2.947 225 1HH2 ARG 29 1HH1 ARG 29 9.306 -8.539 0.622 226 2HH2 ARG 29 2HH1 ARG 29 8.785 -8.675 2.263 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -10.590 2.364 -7.056 2 2H GLY 1 2HT GLY 1 -12.242 1.980 -7.146 3 3H GLY 1 3HT GLY 1 -11.138 1.250 -8.210 4 1HA GLY 1 2HA GLY 1 -11.942 0.411 -5.629 5 2HA GLY 1 1HA GLY 1 -10.930 -0.437 -6.798 6 H CYS 2 H CYS 2 -9.006 -0.972 -5.851 7 HA CYS 2 HA CYS 2 -7.944 0.506 -3.559 8 1HB CYS 2 2HB CYS 2 -6.066 -1.164 -3.859 9 2HB CYS 2 1HB CYS 2 -7.656 -1.899 -3.701 10 H LYS 3 H LYS 3 -5.542 1.259 -3.675 11 HA LYS 3 HA LYS 3 -5.167 2.792 -6.230 12 1HB LYS 3 2HB LYS 3 -4.045 3.313 -3.449 13 2HB LYS 3 1HB LYS 3 -3.916 4.374 -4.846 14 1HG LYS 3 2HG LYS 3 -6.499 4.312 -4.900 15 2HG LYS 3 1HG LYS 3 -6.375 3.688 -3.257 16 1HD LYS 3 2HD LYS 3 -4.773 5.720 -2.872 17 2HD LYS 3 1HD LYS 3 -5.541 6.377 -4.318 18 1HE LYS 3 2HE LYS 3 -7.115 7.181 -2.851 19 2HE LYS 3 1HE LYS 3 -7.728 5.516 -2.843 20 1HZ LYS 3 1HZ LYS 3 -6.123 5.004 -1.051 21 2HZ LYS 3 2HZ LYS 3 -7.251 6.197 -0.593 22 3HZ LYS 3 3HZ LYS 3 -5.666 6.651 -1.009 23 H LEU 4 H LEU 4 -2.674 3.324 -6.499 24 HA LEU 4 HA LEU 4 -1.270 0.734 -6.658 25 1HB LEU 4 2HB LEU 4 -0.799 3.547 -7.671 26 2HB LEU 4 1HB LEU 4 0.394 2.275 -7.898 27 HG LEU 4 HG LEU 4 -0.908 2.256 -9.884 28 1HD1 LEU 4 1HD1 LEU 4 -1.675 0.060 -9.945 29 2HD1 LEU 4 2HD1 LEU 4 -2.377 0.151 -8.328 30 3HD1 LEU 4 3HD1 LEU 4 -0.628 0.025 -8.528 31 1HD2 LEU 4 1HD2 LEU 4 -3.532 1.867 -8.559 32 2HD2 LEU 4 2HD2 LEU 4 -3.128 2.765 -10.021 33 3HD2 LEU 4 3HD2 LEU 4 -2.840 3.485 -8.440 34 H THR 5 H THR 5 1.296 2.656 -6.448 35 HA THR 5 HA THR 5 1.779 1.979 -3.626 36 HB THR 5 HB THR 5 3.934 3.342 -5.042 37 HG1 THR 5 1HG THR 5 4.127 1.904 -6.748 38 1HG2 THR 5 1HG2 THR 5 3.788 1.488 -3.128 39 2HG2 THR 5 2HG2 THR 5 5.181 1.591 -4.208 40 3HG2 THR 5 3HG2 THR 5 3.905 0.403 -4.502 41 H PHE 6 H PHE 6 2.751 4.880 -5.478 42 HA PHE 6 HA PHE 6 2.669 6.540 -3.104 43 1HB PHE 6 2HB PHE 6 3.694 6.611 -5.788 44 2HB PHE 6 1HB PHE 6 2.784 8.092 -5.493 45 HD1 PHE 6 1HD PHE 6 4.716 5.970 -3.105 46 HD2 PHE 6 2HD PHE 6 4.399 9.756 -5.108 47 HE1 PHE 6 1HE PHE 6 6.574 6.846 -1.719 48 HE2 PHE 6 2HE PHE 6 6.264 10.649 -3.721 49 HZ PHE 6 HZ PHE 6 7.354 9.192 -2.027 50 H TRP 7 H TRP 7 0.049 5.411 -3.598 51 HA TRP 7 HA TRP 7 -1.527 7.802 -4.460 52 1HB TRP 7 2HB TRP 7 -2.080 4.848 -4.085 53 2HB TRP 7 1HB TRP 7 -3.366 6.019 -4.359 54 HD1 TRP 7 HD TRP 7 0.101 5.564 -6.011 55 HE1 TRP 7 1HE TRP 7 -0.219 5.587 -8.564 56 HE3 TRP 7 3HE TRP 7 -4.978 5.972 -6.250 57 HZ2 TRP 7 2HZ TRP 7 -2.362 5.736 -10.466 58 HZ3 TRP 7 3HZ TRP 7 -6.130 6.045 -8.440 59 HH2 TRP 7 HH TRP 7 -4.831 5.928 -10.545 60 H LYS 8 H LYS 8 -1.915 9.082 -2.654 61 HA LYS 8 HA LYS 8 -1.563 8.737 0.009 62 1HB LYS 8 2HB LYS 8 -3.276 10.327 -1.666 63 2HB LYS 8 1HB LYS 8 -4.176 9.871 -0.221 64 1HG LYS 8 2HG LYS 8 -3.110 11.744 0.602 65 2HG LYS 8 1HG LYS 8 -1.877 10.539 0.970 66 1HD LYS 8 2HD LYS 8 -0.438 11.337 -0.605 67 2HD LYS 8 1HD LYS 8 -1.727 11.671 -1.760 68 1HE LYS 8 2HE LYS 8 -0.755 13.799 -1.059 69 2HE LYS 8 1HE LYS 8 -2.371 13.674 -0.337 70 1HZ LYS 8 1HZ LYS 8 -0.439 14.274 1.202 71 2HZ LYS 8 2HZ LYS 8 0.028 12.646 1.064 72 3HZ LYS 8 3HZ LYS 8 -1.489 13.043 1.716 73 H CYS 9 H CYS 9 -1.860 6.742 0.990 74 HA CYS 9 HA CYS 9 -4.648 5.608 0.924 75 1HB CYS 9 2HB CYS 9 -3.393 3.438 1.426 76 2HB CYS 9 1HB CYS 9 -3.124 4.132 -0.168 77 H LYS 10 H LYS 10 -5.002 4.121 2.935 78 HA LYS 10 HA LYS 10 -4.104 5.610 5.390 79 1HB LYS 10 2HB LYS 10 -6.624 4.015 4.774 80 2HB LYS 10 1HB LYS 10 -6.298 4.836 6.300 81 1HG LYS 10 2HG LYS 10 -6.320 6.997 5.225 82 2HG LYS 10 1HG LYS 10 -6.379 6.261 3.623 83 1HD LYS 10 2HD LYS 10 -8.526 5.499 5.552 84 2HD LYS 10 1HD LYS 10 -8.596 7.125 4.871 85 1HE LYS 10 2HE LYS 10 -8.785 6.320 2.649 86 2HE LYS 10 1HE LYS 10 -8.202 4.703 3.096 87 1HZ LYS 10 1HZ LYS 10 -10.714 5.944 4.110 88 2HZ LYS 10 2HZ LYS 10 -10.164 4.374 4.448 89 3HZ LYS 10 3HZ LYS 10 -10.645 4.789 2.873 90 H ASN 11 H ASN 11 -5.384 2.372 4.499 91 HA ASN 11 HA ASN 11 -3.401 1.149 6.382 92 1HB ASN 11 2HB ASN 11 -5.021 -0.668 6.534 93 2HB ASN 11 1HB ASN 11 -5.833 0.865 6.839 94 1HD2 ASN 11 1HD2 ASN 11 -6.191 -1.987 5.170 95 2HD2 ASN 11 2HD2 ASN 11 -7.230 -1.453 3.942 96 H LYS 12 H LYS 12 -2.150 -0.598 5.628 97 HA LYS 12 HA LYS 12 -1.218 -0.560 2.977 98 1HB LYS 12 2HB LYS 12 -0.116 -2.677 3.642 99 2HB LYS 12 1HB LYS 12 -0.027 -1.472 4.920 100 1HG LYS 12 2HG LYS 12 -2.060 -2.525 5.962 101 2HG LYS 12 1HG LYS 12 -1.957 -3.806 4.755 102 1HD LYS 12 2HD LYS 12 -0.731 -4.779 6.462 103 2HD LYS 12 1HD LYS 12 0.563 -3.935 5.612 104 1HE LYS 12 2HE LYS 12 0.970 -3.170 7.782 105 2HE LYS 12 1HE LYS 12 -0.194 -1.935 7.264 106 1HZ LYS 12 1HZ LYS 12 -0.828 -4.466 8.703 107 2HZ LYS 12 2HZ LYS 12 -1.991 -3.390 8.097 108 3HZ LYS 12 3HZ LYS 12 -0.942 -2.894 9.334 109 H LYS 13 H LYS 13 -4.067 -2.220 4.207 110 HA LYS 13 HA LYS 13 -4.170 -4.120 1.971 111 1HB LYS 13 2HB LYS 13 -5.215 -3.863 4.566 112 2HB LYS 13 1HB LYS 13 -6.616 -3.784 3.499 113 1HG LYS 13 2HG LYS 13 -4.663 -5.861 2.742 114 2HG LYS 13 1HG LYS 13 -5.395 -6.117 4.326 115 1HD LYS 13 2HD LYS 13 -7.499 -5.316 2.600 116 2HD LYS 13 1HD LYS 13 -6.559 -6.517 1.710 117 1HE LYS 13 2HE LYS 13 -6.657 -7.900 3.930 118 2HE LYS 13 1HE LYS 13 -8.004 -6.821 4.342 119 1HZ LYS 13 1HZ LYS 13 -7.751 -8.509 1.907 120 2HZ LYS 13 2HZ LYS 13 -8.958 -7.330 2.120 121 3HZ LYS 13 3HZ LYS 13 -8.890 -8.678 3.150 122 H GLU 14 H GLU 14 -4.700 -0.863 1.900 123 HA GLU 14 HA GLU 14 -7.222 -1.033 0.335 124 1HB GLU 14 2HB GLU 14 -7.397 1.298 0.715 125 2HB GLU 14 1HB GLU 14 -6.672 0.694 2.199 126 1HG GLU 14 2HG GLU 14 -4.708 1.793 1.824 127 2HG GLU 14 1HG GLU 14 -4.723 1.431 0.099 128 H CYS 15 H CYS 15 -3.808 -0.938 -0.219 129 HA CYS 15 HA CYS 15 -4.053 0.317 -2.883 130 1HB CYS 15 2HB CYS 15 -1.784 -0.956 -1.318 131 2HB CYS 15 1HB CYS 15 -1.572 -0.196 -2.896 132 H CYS 16 H CYS 16 -3.405 -0.859 -4.847 133 HA CYS 16 HA CYS 16 -4.454 -3.597 -4.908 134 1HB CYS 16 2HB CYS 16 -2.959 -2.114 -7.090 135 2HB CYS 16 1HB CYS 16 -4.199 -3.351 -7.279 136 H GLY 17 H GLY 17 -3.187 -5.378 -4.460 137 1HA GLY 17 2HA GLY 17 -1.276 -6.791 -4.584 138 2HA GLY 17 1HA GLY 17 -0.391 -5.466 -5.352 139 H TRP 18 H TRP 18 -1.486 -6.756 -2.289 140 HA TRP 18 HA TRP 18 -1.144 -5.413 -0.162 141 1HB TRP 18 2HB TRP 18 -0.017 -7.877 -0.995 142 2HB TRP 18 1HB TRP 18 1.193 -7.070 -0.002 143 HD1 TRP 18 HD TRP 18 -1.364 -5.574 1.677 144 HE1 TRP 18 1HE TRP 18 -2.424 -6.985 3.558 145 HE3 TRP 18 3HE TRP 18 0.235 -10.243 0.306 146 HZ2 TRP 18 2HZ TRP 18 -2.568 -9.730 4.380 147 HZ3 TRP 18 3HZ TRP 18 -0.378 -12.230 1.661 148 HH2 TRP 18 HH TRP 18 -1.773 -11.983 3.688 149 H ASN 19 H ASN 19 -0.432 -3.278 -0.285 150 HA ASN 19 HA ASN 19 2.555 -2.907 -0.512 151 1HB ASN 19 2HB ASN 19 0.686 -2.054 -2.306 152 2HB ASN 19 1HB ASN 19 0.710 -0.674 -1.208 153 1HD2 ASN 19 1HD2 ASN 19 3.289 -0.294 -0.492 154 2HD2 ASN 19 2HD2 ASN 19 4.299 -0.105 -1.843 155 H ALA 20 H ALA 20 3.346 -2.127 1.418 156 HA ALA 20 HA ALA 20 1.678 -1.436 3.639 157 1HB ALA 20 1HB ALA 20 4.049 -2.329 3.541 158 2HB ALA 20 2HB ALA 20 3.774 -1.033 4.704 159 3HB ALA 20 3HB ALA 20 4.562 -0.686 3.163 160 H CYS 21 H CYS 21 0.580 0.435 3.972 161 HA CYS 21 HA CYS 21 1.257 2.888 2.488 162 1HB CYS 21 2HB CYS 21 -1.084 1.961 3.080 163 2HB CYS 21 1HB CYS 21 -0.750 2.485 4.728 164 H ALA 22 H ALA 22 3.386 3.299 3.388 165 HA ALA 22 HA ALA 22 3.543 3.700 6.353 166 1HB ALA 22 1HB ALA 22 5.469 3.061 4.111 167 2HB ALA 22 2HB ALA 22 5.097 2.107 5.551 168 3HB ALA 22 3HB ALA 22 6.056 3.580 5.695 169 H LEU 23 H LEU 23 5.316 5.175 3.629 170 HA LEU 23 HA LEU 23 5.700 7.650 5.101 171 1HB LEU 23 2HB LEU 23 6.086 7.468 2.123 172 2HB LEU 23 1HB LEU 23 7.117 8.211 3.336 173 HG LEU 23 HG LEU 23 6.829 5.237 2.781 174 1HD1 LEU 23 1HD1 LEU 23 9.287 6.981 2.679 175 2HD1 LEU 23 2HD1 LEU 23 8.262 6.686 1.272 176 3HD1 LEU 23 3HD1 LEU 23 9.091 5.341 2.061 177 1HD2 LEU 23 1HD2 LEU 23 7.112 6.015 5.265 178 2HD2 LEU 23 2HD2 LEU 23 8.749 6.439 4.767 179 3HD2 LEU 23 3HD2 LEU 23 8.191 4.768 4.636 180 H GLY 24 H GLY 24 2.978 7.411 5.149 181 1HA GLY 24 2HA GLY 24 1.064 8.721 4.713 182 2HA GLY 24 1HA GLY 24 2.070 9.771 3.710 183 H ILE 25 H ILE 25 2.634 6.715 2.580 184 HA ILE 25 HA ILE 25 0.245 6.462 0.870 185 HB ILE 25 HB ILE 25 2.664 6.478 -0.751 186 1HG1 ILE 25 2HG1 ILE 25 1.945 9.077 0.646 187 2HG1 ILE 25 1HG1 ILE 25 3.470 8.207 0.794 188 1HG2 ILE 25 1HG2 ILE 25 0.504 6.550 -1.747 189 2HG2 ILE 25 2HG2 ILE 25 1.281 8.099 -2.072 190 3HG2 ILE 25 3HG2 ILE 25 0.053 7.974 -0.813 191 1HD1 ILE 25 1HD1 ILE 25 2.352 9.558 -1.660 192 2HD1 ILE 25 2HD1 ILE 25 3.735 8.465 -1.704 193 3HD1 ILE 25 3HD1 ILE 25 3.826 9.966 -0.781 194 H CYS 26 H CYS 26 0.958 4.586 -0.883 195 HA CYS 26 HA CYS 26 1.896 2.344 0.814 196 1HB CYS 26 2HB CYS 26 0.476 2.749 -1.779 197 2HB CYS 26 1HB CYS 26 1.417 1.264 -1.633 198 H MET 27 H MET 27 4.087 1.850 0.894 199 HA MET 27 HA MET 27 5.647 2.219 -1.606 200 1HB MET 27 2HB MET 27 5.836 3.724 0.929 201 2HB MET 27 1HB MET 27 7.373 3.241 0.212 202 1HG MET 27 2HG MET 27 5.470 4.287 -1.746 203 2HG MET 27 1HG MET 27 5.882 5.450 -0.488 204 1HE MET 27 1HE MET 27 7.090 2.926 -3.028 205 2HE MET 27 2HE MET 27 8.264 2.491 -1.786 206 3HE MET 27 3HE MET 27 8.806 3.260 -3.276 207 HA PRO 28 HA PRO 28 8.415 -0.514 1.118 208 1HB PRO 28 2HB PRO 28 7.875 -0.788 3.791 209 2HB PRO 28 1HB PRO 28 8.885 0.517 3.126 210 1HG PRO 28 2HG PRO 28 6.023 0.576 3.947 211 2HG PRO 28 1HG PRO 28 7.289 1.785 4.207 212 1HD PRO 28 2HD PRO 28 5.404 2.021 2.263 213 2HD PRO 28 1HD PRO 28 7.043 2.687 2.096 214 H ARG 29 HN ARG 29 6.749 -1.688 -0.293 215 HA ARG 29 HA ARG 29 4.616 -3.108 -0.214 216 1HB ARG 29 2HB ARG 29 7.158 -4.753 -0.017 217 2HB ARG 29 1HB ARG 29 5.721 -5.104 -0.971 218 1HG ARG 29 2HG ARG 29 7.627 -2.791 -1.409 219 2HG ARG 29 1HG ARG 29 7.524 -4.249 -2.387 220 1HD ARG 29 2HD ARG 29 5.137 -3.645 -2.970 221 2HD ARG 29 1HD ARG 29 5.359 -2.119 -2.092 222 HE ARG 29 HE ARG 29 6.814 -1.368 -3.808 223 1HH1 ARG 29 1HH2 ARG 29 6.063 -4.759 -4.145 224 2HH1 ARG 29 2HH2 ARG 29 6.810 -4.890 -5.696 225 1HH2 ARG 29 1HH1 ARG 29 7.805 -1.582 -5.829 226 2HH2 ARG 29 2HH1 ARG 29 7.783 -3.109 -6.640 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 -10.798 3.603 -0.482 2 2H GLY 1 2HT GLY 1 -9.417 2.615 -0.376 3 3H GLY 1 3HT GLY 1 -10.963 1.919 -0.499 4 1HA GLY 1 2HA GLY 1 -11.095 2.190 -2.710 5 2HA GLY 1 1HA GLY 1 -10.258 3.738 -2.640 6 H CYS 2 H CYS 2 -9.900 0.706 -3.829 7 HA CYS 2 HA CYS 2 -7.232 -0.041 -3.090 8 1HB CYS 2 2HB CYS 2 -9.253 -1.201 -4.394 9 2HB CYS 2 1HB CYS 2 -8.364 -0.627 -5.799 10 H LYS 3 H LYS 3 -5.289 0.851 -3.719 11 HA LYS 3 HA LYS 3 -5.153 2.406 -6.284 12 1HB LYS 3 2HB LYS 3 -4.082 3.270 -3.578 13 2HB LYS 3 1HB LYS 3 -3.919 4.151 -5.091 14 1HG LYS 3 2HG LYS 3 -6.516 4.045 -5.186 15 2HG LYS 3 1HG LYS 3 -6.400 3.682 -3.464 16 1HD LYS 3 2HD LYS 3 -5.276 5.749 -3.001 17 2HD LYS 3 1HD LYS 3 -5.012 6.063 -4.717 18 1HE LYS 3 2HE LYS 3 -7.820 5.773 -3.651 19 2HE LYS 3 1HE LYS 3 -6.963 7.321 -3.526 20 1HZ LYS 3 1HZ LYS 3 -6.575 7.335 -5.861 21 2HZ LYS 3 2HZ LYS 3 -8.229 7.031 -5.638 22 3HZ LYS 3 3HZ LYS 3 -7.181 5.761 -6.046 23 H LEU 4 H LEU 4 -2.707 3.036 -6.587 24 HA LEU 4 HA LEU 4 -1.181 0.522 -6.579 25 1HB LEU 4 2HB LEU 4 -1.137 3.219 -7.850 26 2HB LEU 4 1HB LEU 4 0.406 2.382 -7.754 27 HG LEU 4 HG LEU 4 -0.344 0.597 -9.098 28 1HD1 LEU 4 1HD1 LEU 4 -2.426 0.064 -7.980 29 2HD1 LEU 4 2HD1 LEU 4 -2.776 0.325 -9.690 30 3HD1 LEU 4 3HD1 LEU 4 -3.147 1.583 -8.515 31 1HD2 LEU 4 1HD2 LEU 4 -1.808 3.054 -10.110 32 2HD2 LEU 4 2HD2 LEU 4 -1.320 1.672 -11.095 33 3HD2 LEU 4 3HD2 LEU 4 -0.096 2.716 -10.368 34 H THR 5 H THR 5 1.430 1.792 -6.408 35 HA THR 5 HA THR 5 1.895 1.631 -3.592 36 HB THR 5 HB THR 5 3.958 2.973 -5.166 37 HG1 THR 5 1HG THR 5 4.196 1.301 -6.674 38 1HG2 THR 5 1HG2 THR 5 4.978 1.794 -3.517 39 2HG2 THR 5 2HG2 THR 5 4.774 0.408 -4.594 40 3HG2 THR 5 3HG2 THR 5 3.595 0.719 -3.323 41 H PHE 6 H PHE 6 2.946 4.504 -5.472 42 HA PHE 6 HA PHE 6 2.727 6.200 -3.139 43 1HB PHE 6 2HB PHE 6 3.919 6.220 -5.697 44 2HB PHE 6 1HB PHE 6 2.903 7.660 -5.617 45 HD1 PHE 6 1HD PHE 6 4.456 9.429 -5.256 46 HD2 PHE 6 2HD PHE 6 4.657 5.881 -2.809 47 HE1 PHE 6 1HE PHE 6 6.125 10.520 -3.783 48 HE2 PHE 6 2HE PHE 6 6.315 6.992 -1.345 49 HZ PHE 6 HZ PHE 6 7.046 9.302 -1.838 50 H TRP 7 H TRP 7 0.129 5.098 -3.580 51 HA TRP 7 HA TRP 7 -1.427 7.475 -4.551 52 1HB TRP 7 2HB TRP 7 -2.014 4.517 -4.248 53 2HB TRP 7 1HB TRP 7 -3.264 5.708 -4.590 54 HD1 TRP 7 HD TRP 7 0.309 5.384 -6.041 55 HE1 TRP 7 1HE TRP 7 0.139 5.355 -8.601 56 HE3 TRP 7 3HE TRP 7 -4.761 5.520 -6.580 57 HZ2 TRP 7 2HZ TRP 7 -1.889 5.392 -10.627 58 HZ3 TRP 7 3HZ TRP 7 -5.795 5.522 -8.828 59 HH2 TRP 7 HH TRP 7 -4.368 5.453 -10.853 60 H LYS 8 H LYS 8 -1.955 8.752 -2.784 61 HA LYS 8 HA LYS 8 -1.701 8.464 -0.122 62 1HB LYS 8 2HB LYS 8 -2.999 10.188 -1.732 63 2HB LYS 8 1HB LYS 8 -4.396 9.418 -0.978 64 1HG LYS 8 2HG LYS 8 -4.050 10.934 0.690 65 2HG LYS 8 1HG LYS 8 -2.768 9.829 1.191 66 1HD LYS 8 2HD LYS 8 -1.084 11.114 0.152 67 2HD LYS 8 1HD LYS 8 -2.245 11.964 -0.870 68 1HE LYS 8 2HE LYS 8 -2.495 13.587 0.682 69 2HE LYS 8 1HE LYS 8 -2.917 12.386 1.917 70 1HZ LYS 8 1HZ LYS 8 -0.911 13.411 2.613 71 2HZ LYS 8 2HZ LYS 8 -0.196 13.244 1.082 72 3HZ LYS 8 3HZ LYS 8 -0.483 11.872 2.051 73 H CYS 9 H CYS 9 -1.962 6.479 0.914 74 HA CYS 9 HA CYS 9 -4.648 5.153 0.667 75 1HB CYS 9 2HB CYS 9 -3.319 3.177 1.631 76 2HB CYS 9 1HB CYS 9 -2.886 3.688 0.004 77 H LYS 10 H LYS 10 -5.725 4.447 2.573 78 HA LYS 10 HA LYS 10 -5.150 6.057 4.994 79 1HB LYS 10 2HB LYS 10 -7.362 4.315 3.926 80 2HB LYS 10 1HB LYS 10 -7.317 4.675 5.652 81 1HG LYS 10 2HG LYS 10 -7.100 6.852 3.572 82 2HG LYS 10 1HG LYS 10 -8.661 6.276 4.149 83 1HD LYS 10 2HD LYS 10 -6.481 7.219 6.025 84 2HD LYS 10 1HD LYS 10 -7.700 8.308 5.367 85 1HE LYS 10 2HE LYS 10 -9.109 7.663 7.018 86 2HE LYS 10 1HE LYS 10 -9.093 6.019 6.349 87 1HZ LYS 10 1HZ LYS 10 -7.138 7.179 8.267 88 2HZ LYS 10 2HZ LYS 10 -6.958 5.662 7.527 89 3HZ LYS 10 3HZ LYS 10 -8.254 5.946 8.586 90 H ASN 11 H ASN 11 -5.196 2.665 3.916 91 HA ASN 11 HA ASN 11 -3.632 1.940 6.359 92 1HB ASN 11 2HB ASN 11 -5.034 -0.019 6.669 93 2HB ASN 11 1HB ASN 11 -6.069 1.404 6.599 94 1HD2 ASN 11 1HD2 ASN 11 -7.719 1.347 5.070 95 2HD2 ASN 11 2HD2 ASN 11 -7.833 0.247 3.789 96 H LYS 12 H LYS 12 -3.229 -0.691 5.855 97 HA LYS 12 HA LYS 12 -1.287 -0.672 3.685 98 1HB LYS 12 2HB LYS 12 -0.975 -1.761 5.884 99 2HB LYS 12 1HB LYS 12 -2.293 -2.869 5.515 100 1HG LYS 12 2HG LYS 12 -1.042 -3.756 3.592 101 2HG LYS 12 1HG LYS 12 0.277 -2.630 3.918 102 1HD LYS 12 2HD LYS 12 0.639 -3.650 6.117 103 2HD LYS 12 1HD LYS 12 -0.703 -4.761 5.845 104 1HE LYS 12 2HE LYS 12 0.547 -5.594 3.781 105 2HE LYS 12 1HE LYS 12 1.949 -4.668 4.356 106 1HZ LYS 12 1HZ LYS 12 1.513 -5.825 6.576 107 2HZ LYS 12 2HZ LYS 12 2.187 -6.767 5.335 108 3HZ LYS 12 3HZ LYS 12 0.536 -6.900 5.697 109 H LYS 13 H LYS 13 -4.194 -2.755 4.255 110 HA LYS 13 HA LYS 13 -4.079 -4.095 1.714 111 1HB LYS 13 2HB LYS 13 -6.366 -4.796 2.294 112 2HB LYS 13 1HB LYS 13 -5.341 -4.858 3.725 113 1HG LYS 13 2HG LYS 13 -6.286 -2.830 4.598 114 2HG LYS 13 1HG LYS 13 -7.079 -2.464 3.065 115 1HD LYS 13 2HD LYS 13 -7.694 -4.991 4.598 116 2HD LYS 13 1HD LYS 13 -8.543 -3.479 4.928 117 1HE LYS 13 2HE LYS 13 -8.495 -3.861 2.080 118 2HE LYS 13 1HE LYS 13 -9.078 -5.358 2.839 119 1HZ LYS 13 1HZ LYS 13 -10.607 -4.058 4.180 120 2HZ LYS 13 2HZ LYS 13 -10.886 -3.754 2.532 121 3HZ LYS 13 3HZ LYS 13 -10.049 -2.620 3.476 122 H GLU 14 H GLU 14 -4.947 -0.828 2.415 123 HA GLU 14 HA GLU 14 -6.981 -0.307 0.489 124 1HB GLU 14 2HB GLU 14 -6.371 1.229 2.263 125 2HB GLU 14 1HB GLU 14 -4.718 1.344 1.662 126 1HG GLU 14 2HG GLU 14 -5.353 3.098 0.404 127 2HG GLU 14 1HG GLU 14 -6.407 2.028 -0.507 128 H CYS 15 H CYS 15 -3.537 -0.925 0.076 129 HA CYS 15 HA CYS 15 -3.493 0.251 -2.648 130 1HB CYS 15 2HB CYS 15 -1.296 -1.489 -1.597 131 2HB CYS 15 1HB CYS 15 -1.200 0.040 -2.467 132 H CYS 16 H CYS 16 -4.096 -0.933 -4.425 133 HA CYS 16 HA CYS 16 -5.069 -3.589 -4.395 134 1HB CYS 16 2HB CYS 16 -4.179 -1.582 -6.382 135 2HB CYS 16 1HB CYS 16 -4.137 -3.249 -6.953 136 H GLY 17 H GLY 17 -1.832 -2.447 -5.429 137 1HA GLY 17 2HA GLY 17 -0.809 -5.182 -5.609 138 2HA GLY 17 1HA GLY 17 0.145 -3.702 -5.774 139 H TRP 18 H TRP 18 -0.850 -6.181 -3.634 140 HA TRP 18 HA TRP 18 -0.818 -5.386 -1.078 141 1HB TRP 18 2HB TRP 18 0.721 -7.569 -2.468 142 2HB TRP 18 1HB TRP 18 0.827 -7.395 -0.717 143 HD1 TRP 18 HD TRP 18 -2.271 -6.383 -0.406 144 HE1 TRP 18 1HE TRP 18 -4.132 -8.152 -0.545 145 HE3 TRP 18 3HE TRP 18 0.241 -10.110 -2.830 146 HZ2 TRP 18 2HZ TRP 18 -4.516 -10.796 -1.546 147 HZ3 TRP 18 3HZ TRP 18 -0.903 -12.250 -3.360 148 HH2 TRP 18 HH TRP 18 -3.265 -12.595 -2.723 149 H ASN 19 H ASN 19 0.151 -3.514 -0.494 150 HA ASN 19 HA ASN 19 3.146 -3.466 -0.321 151 1HB ASN 19 2HB ASN 19 2.055 -2.219 -2.308 152 2HB ASN 19 1HB ASN 19 1.406 -1.108 -1.099 153 1HD2 ASN 19 1HD2 ASN 19 4.218 -1.828 -2.990 154 2HD2 ASN 19 2HD2 ASN 19 5.247 -0.710 -2.239 155 H ALA 20 H ALA 20 3.521 -1.191 1.111 156 HA ALA 20 HA ALA 20 1.690 -1.484 3.467 157 1HB ALA 20 1HB ALA 20 4.600 -0.648 3.374 158 2HB ALA 20 2HB ALA 20 4.067 -2.305 3.660 159 3HB ALA 20 3HB ALA 20 3.667 -1.036 4.818 160 H CYS 21 H CYS 21 0.610 0.335 4.056 161 HA CYS 21 HA CYS 21 1.106 2.912 2.715 162 1HB CYS 21 2HB CYS 21 -1.128 1.778 3.475 163 2HB CYS 21 1HB CYS 21 -0.711 2.353 5.084 164 H ALA 22 H ALA 22 3.288 3.327 3.486 165 HA ALA 22 HA ALA 22 3.580 3.705 6.434 166 1HB ALA 22 1HB ALA 22 6.060 3.582 5.741 167 2HB ALA 22 2HB ALA 22 5.471 3.106 4.146 168 3HB ALA 22 3HB ALA 22 5.118 2.102 5.556 169 H LEU 23 H LEU 23 5.185 5.171 3.584 170 HA LEU 23 HA LEU 23 5.596 7.691 4.998 171 1HB LEU 23 2HB LEU 23 6.064 6.607 2.212 172 2HB LEU 23 1HB LEU 23 6.388 8.294 2.588 173 HG LEU 23 HG LEU 23 8.260 7.807 3.805 174 1HD1 LEU 23 1HD1 LEU 23 7.113 5.129 4.636 175 2HD1 LEU 23 2HD1 LEU 23 6.947 6.613 5.574 176 3HD1 LEU 23 3HD1 LEU 23 8.543 5.920 5.296 177 1HD2 LEU 23 1HD2 LEU 23 8.371 5.030 2.778 178 2HD2 LEU 23 2HD2 LEU 23 9.519 6.358 2.590 179 3HD2 LEU 23 3HD2 LEU 23 8.083 6.286 1.571 180 H GLY 24 H GLY 24 2.856 7.302 5.050 181 1HA GLY 24 2HA GLY 24 0.896 8.530 4.659 182 2HA GLY 24 1HA GLY 24 1.837 9.648 3.668 183 H ILE 25 H ILE 25 2.487 6.559 2.557 184 HA ILE 25 HA ILE 25 0.133 6.244 0.813 185 HB ILE 25 HB ILE 25 2.623 6.361 -0.734 186 1HG1 ILE 25 2HG1 ILE 25 1.580 8.937 0.501 187 2HG1 ILE 25 1HG1 ILE 25 3.156 8.212 0.820 188 1HG2 ILE 25 1HG2 ILE 25 -0.105 7.616 -0.946 189 2HG2 ILE 25 2HG2 ILE 25 0.498 6.209 -1.822 190 3HG2 ILE 25 3HG2 ILE 25 1.149 7.812 -2.170 191 1HD1 ILE 25 1HD1 ILE 25 4.029 8.919 -1.156 192 2HD1 ILE 25 2HD1 ILE 25 2.726 10.102 -1.092 193 3HD1 ILE 25 3HD1 ILE 25 2.532 8.629 -2.042 194 H CYS 26 H CYS 26 0.955 4.388 -0.920 195 HA CYS 26 HA CYS 26 1.899 2.175 0.807 196 1HB CYS 26 2HB CYS 26 1.136 2.181 -2.132 197 2HB CYS 26 1HB CYS 26 1.165 0.797 -1.058 198 H MET 27 H MET 27 4.120 1.804 0.943 199 HA MET 27 HA MET 27 5.725 2.206 -1.543 200 1HB MET 27 2HB MET 27 5.876 3.636 1.048 201 2HB MET 27 1HB MET 27 7.414 3.218 0.290 202 1HG MET 27 2HG MET 27 5.539 4.257 -1.670 203 2HG MET 27 1HG MET 27 5.768 5.399 -0.346 204 1HE MET 27 1HE MET 27 7.071 3.364 -3.115 205 2HE MET 27 2HE MET 27 8.549 4.162 -3.647 206 3HE MET 27 3HE MET 27 7.007 5.000 -3.788 207 HA PRO 28 HA PRO 28 8.474 -0.521 1.108 208 1HB PRO 28 2HB PRO 28 8.020 -0.816 3.801 209 2HB PRO 28 1HB PRO 28 8.963 0.526 3.118 210 1HG PRO 28 2HG PRO 28 6.158 0.484 4.086 211 2HG PRO 28 1HG PRO 28 7.383 1.752 4.199 212 1HD PRO 28 2HD PRO 28 5.321 1.744 2.376 213 2HD PRO 28 1HD PRO 28 6.846 2.632 2.164 214 H ARG 29 HN ARG 29 7.366 -2.136 -0.088 215 HA ARG 29 HA ARG 29 5.072 -3.617 0.779 216 1HB ARG 29 2HB ARG 29 5.581 -3.869 -1.465 217 2HB ARG 29 1HB ARG 29 7.319 -3.884 -1.182 218 1HG ARG 29 2HG ARG 29 6.729 -6.095 -1.865 219 2HG ARG 29 1HG ARG 29 7.003 -6.186 -0.128 220 1HD ARG 29 2HD ARG 29 4.586 -6.071 0.294 221 2HD ARG 29 1HD ARG 29 4.279 -5.872 -1.437 222 HE ARG 29 HE ARG 29 4.758 -8.174 -1.764 223 1HH1 ARG 29 1HH2 ARG 29 5.787 -7.096 1.381 224 2HH1 ARG 29 2HH2 ARG 29 6.076 -8.696 1.962 225 1HH2 ARG 29 1HH1 ARG 29 5.156 -10.247 -0.991 226 2HH2 ARG 29 2HH1 ARG 29 5.729 -10.472 0.621 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 -11.393 -2.949 -5.493 2 2H GLY 1 2HT GLY 1 -10.333 -2.532 -6.751 3 3H GLY 1 3HT GLY 1 -12.008 -2.445 -6.992 4 1HA GLY 1 2HA GLY 1 -11.138 -0.232 -6.672 5 2HA GLY 1 1HA GLY 1 -12.167 -0.686 -5.315 6 H CYS 2 H CYS 2 -9.008 0.297 -6.231 7 HA CYS 2 HA CYS 2 -8.159 0.649 -3.482 8 1HB CYS 2 2HB CYS 2 -6.224 -1.043 -3.761 9 2HB CYS 2 1HB CYS 2 -7.823 -1.718 -3.465 10 H LYS 3 H LYS 3 -5.601 1.189 -3.583 11 HA LYS 3 HA LYS 3 -5.191 2.791 -6.096 12 1HB LYS 3 2HB LYS 3 -3.943 3.228 -3.360 13 2HB LYS 3 1HB LYS 3 -3.998 4.347 -4.718 14 1HG LYS 3 2HG LYS 3 -6.643 3.915 -4.437 15 2HG LYS 3 1HG LYS 3 -6.129 3.661 -2.769 16 1HD LYS 3 2HD LYS 3 -5.506 5.848 -2.475 17 2HD LYS 3 1HD LYS 3 -4.995 6.034 -4.151 18 1HE LYS 3 2HE LYS 3 -6.960 7.367 -4.009 19 2HE LYS 3 1HE LYS 3 -7.541 5.846 -4.716 20 1HZ LYS 3 1HZ LYS 3 -8.111 5.058 -2.514 21 2HZ LYS 3 2HZ LYS 3 -8.885 6.541 -2.804 22 3HZ LYS 3 3HZ LYS 3 -7.512 6.478 -1.811 23 H LEU 4 H LEU 4 -2.673 3.231 -6.363 24 HA LEU 4 HA LEU 4 -1.396 0.577 -6.580 25 1HB LEU 4 2HB LEU 4 -0.901 3.350 -7.678 26 2HB LEU 4 1HB LEU 4 0.267 2.060 -7.916 27 HG LEU 4 HG LEU 4 -1.120 2.043 -9.854 28 1HD1 LEU 4 1HD1 LEU 4 -1.747 -0.174 -9.865 29 2HD1 LEU 4 2HD1 LEU 4 -2.532 -0.070 -8.289 30 3HD1 LEU 4 3HD1 LEU 4 -0.773 -0.159 -8.394 31 1HD2 LEU 4 1HD2 LEU 4 -3.355 2.514 -9.888 32 2HD2 LEU 4 2HD2 LEU 4 -3.012 3.236 -8.316 33 3HD2 LEU 4 3HD2 LEU 4 -3.673 1.605 -8.412 34 H THR 5 H THR 5 1.228 2.438 -6.532 35 HA THR 5 HA THR 5 1.872 1.746 -3.743 36 HB THR 5 HB THR 5 3.441 2.727 -6.147 37 HG1 THR 5 1HG THR 5 4.110 0.598 -6.193 38 1HG2 THR 5 1HG2 THR 5 4.366 3.347 -3.790 39 2HG2 THR 5 2HG2 THR 5 5.442 2.552 -4.933 40 3HG2 THR 5 3HG2 THR 5 4.691 1.615 -3.645 41 H PHE 6 H PHE 6 2.806 4.659 -5.617 42 HA PHE 6 HA PHE 6 2.870 6.296 -3.230 43 1HB PHE 6 2HB PHE 6 3.710 6.385 -5.978 44 2HB PHE 6 1HB PHE 6 2.887 7.891 -5.578 45 HD1 PHE 6 1HD PHE 6 4.166 9.590 -4.624 46 HD2 PHE 6 2HD PHE 6 5.337 5.501 -4.007 47 HE1 PHE 6 1HE PHE 6 6.149 10.348 -3.359 48 HE2 PHE 6 2HE PHE 6 7.320 6.259 -2.740 49 HZ PHE 6 HZ PHE 6 7.736 8.685 -2.413 50 H TRP 7 H TRP 7 0.186 5.199 -3.655 51 HA TRP 7 HA TRP 7 -1.379 7.613 -4.445 52 1HB TRP 7 2HB TRP 7 -1.976 4.672 -4.012 53 2HB TRP 7 1HB TRP 7 -3.253 5.868 -4.209 54 HD1 TRP 7 HD TRP 7 0.099 5.410 -6.088 55 HE1 TRP 7 1HE TRP 7 -0.393 5.399 -8.610 56 HE3 TRP 7 3HE TRP 7 -4.992 5.748 -5.988 57 HZ2 TRP 7 2HZ TRP 7 -2.651 5.498 -10.366 58 HZ3 TRP 7 3HZ TRP 7 -6.290 5.772 -8.102 59 HH2 TRP 7 HH TRP 7 -5.126 5.649 -10.289 60 H LYS 8 H LYS 8 -2.010 8.909 -2.745 61 HA LYS 8 HA LYS 8 -1.397 8.587 -0.059 62 1HB LYS 8 2HB LYS 8 -3.036 10.271 -1.703 63 2HB LYS 8 1HB LYS 8 -3.961 9.875 -0.256 64 1HG LYS 8 2HG LYS 8 -2.784 11.695 0.546 65 2HG LYS 8 1HG LYS 8 -1.628 10.422 0.935 66 1HD LYS 8 2HD LYS 8 -0.326 10.885 -1.030 67 2HD LYS 8 1HD LYS 8 -1.574 11.946 -1.684 68 1HE LYS 8 2HE LYS 8 -0.569 12.688 1.019 69 2HE LYS 8 1HE LYS 8 0.588 12.882 -0.312 70 1HZ LYS 8 1HZ LYS 8 -1.142 14.057 -1.572 71 2HZ LYS 8 2HZ LYS 8 -0.784 14.856 -0.118 72 3HZ LYS 8 3HZ LYS 8 -2.199 13.930 -0.252 73 H CYS 9 H CYS 9 -1.758 6.593 0.873 74 HA CYS 9 HA CYS 9 -4.575 5.564 0.924 75 1HB CYS 9 2HB CYS 9 -3.498 3.739 0.126 76 2HB CYS 9 1HB CYS 9 -1.921 4.420 0.501 77 H LYS 10 H LYS 10 -5.169 4.432 2.997 78 HA LYS 10 HA LYS 10 -3.997 5.869 5.363 79 1HB LYS 10 2HB LYS 10 -6.707 5.203 4.414 80 2HB LYS 10 1HB LYS 10 -6.447 4.830 6.120 81 1HG LYS 10 2HG LYS 10 -5.400 7.454 5.202 82 2HG LYS 10 1HG LYS 10 -7.156 7.292 5.229 83 1HD LYS 10 2HD LYS 10 -7.234 7.298 7.496 84 2HD LYS 10 1HD LYS 10 -5.869 6.186 7.623 85 1HE LYS 10 2HE LYS 10 -4.365 8.177 7.014 86 2HE LYS 10 1HE LYS 10 -5.787 9.198 7.304 87 1HZ LYS 10 1HZ LYS 10 -5.952 8.470 9.508 88 2HZ LYS 10 2HZ LYS 10 -4.290 8.725 9.293 89 3HZ LYS 10 3HZ LYS 10 -4.917 7.152 9.263 90 H ASN 11 H ASN 11 -5.399 2.726 4.341 91 HA ASN 11 HA ASN 11 -3.872 1.443 6.583 92 1HB ASN 11 2HB ASN 11 -5.615 -0.300 6.472 93 2HB ASN 11 1HB ASN 11 -6.349 1.287 6.686 94 1HD2 ASN 11 1HD2 ASN 11 -6.413 -1.514 4.745 95 2HD2 ASN 11 2HD2 ASN 11 -7.306 -0.884 3.451 96 H LYS 12 H LYS 12 -2.565 -0.339 6.089 97 HA LYS 12 HA LYS 12 -1.290 -0.485 3.556 98 1HB LYS 12 2HB LYS 12 -0.178 -1.257 5.521 99 2HB LYS 12 1HB LYS 12 -1.505 -2.336 5.944 100 1HG LYS 12 2HG LYS 12 -0.884 -3.940 4.383 101 2HG LYS 12 1HG LYS 12 -0.111 -2.766 3.330 102 1HD LYS 12 2HD LYS 12 1.653 -2.489 5.172 103 2HD LYS 12 1HD LYS 12 0.961 -3.937 5.905 104 1HE LYS 12 2HE LYS 12 1.288 -5.057 3.590 105 2HE LYS 12 1HE LYS 12 2.337 -3.680 3.215 106 1HZ LYS 12 1HZ LYS 12 3.110 -4.398 5.728 107 2HZ LYS 12 2HZ LYS 12 3.933 -4.807 4.294 108 3HZ LYS 12 3HZ LYS 12 2.819 -5.895 4.987 109 H LYS 13 H LYS 13 -4.300 -1.986 4.548 110 HA LYS 13 HA LYS 13 -4.129 -4.047 2.438 111 1HB LYS 13 2HB LYS 13 -6.468 -3.357 4.237 112 2HB LYS 13 1HB LYS 13 -6.142 -4.890 3.431 113 1HG LYS 13 2HG LYS 13 -3.941 -4.918 4.803 114 2HG LYS 13 1HG LYS 13 -4.707 -3.677 5.796 115 1HD LYS 13 2HD LYS 13 -6.570 -5.840 5.332 116 2HD LYS 13 1HD LYS 13 -5.060 -6.483 5.976 117 1HE LYS 13 2HE LYS 13 -5.657 -4.103 7.449 118 2HE LYS 13 1HE LYS 13 -7.129 -5.091 7.400 119 1HZ LYS 13 1HZ LYS 13 -5.636 -5.757 9.218 120 2HZ LYS 13 2HZ LYS 13 -4.413 -6.109 8.096 121 3HZ LYS 13 3HZ LYS 13 -5.853 -7.012 8.099 122 H GLU 14 H GLU 14 -4.668 -0.831 2.083 123 HA GLU 14 HA GLU 14 -7.100 -1.144 0.377 124 1HB GLU 14 2HB GLU 14 -7.342 1.192 0.576 125 2HB GLU 14 1HB GLU 14 -6.732 0.696 2.148 126 1HG GLU 14 2HG GLU 14 -4.694 1.714 1.829 127 2HG GLU 14 1HG GLU 14 -4.694 1.412 0.095 128 H CYS 15 H CYS 15 -3.679 -1.085 0.019 129 HA CYS 15 HA CYS 15 -3.613 0.192 -2.617 130 1HB CYS 15 2HB CYS 15 -1.524 -1.737 -1.661 131 2HB CYS 15 1HB CYS 15 -1.312 -0.199 -2.491 132 H CYS 16 H CYS 16 -3.748 -0.834 -4.639 133 HA CYS 16 HA CYS 16 -5.062 -3.363 -4.935 134 1HB CYS 16 2HB CYS 16 -3.292 -1.742 -6.807 135 2HB CYS 16 1HB CYS 16 -4.303 -3.086 -7.327 136 H GLY 17 H GLY 17 -1.624 -2.519 -5.565 137 1HA GLY 17 2HA GLY 17 -0.902 -5.379 -5.541 138 2HA GLY 17 1HA GLY 17 0.206 -4.029 -5.824 139 H TRP 18 H TRP 18 -1.123 -6.139 -3.460 140 HA TRP 18 HA TRP 18 -1.095 -5.106 -0.992 141 1HB TRP 18 2HB TRP 18 0.048 -7.571 -2.175 142 2HB TRP 18 1HB TRP 18 0.537 -7.228 -0.517 143 HD1 TRP 18 HD TRP 18 -2.146 -5.916 0.535 144 HE1 TRP 18 1HE TRP 18 -4.225 -7.392 0.901 145 HE3 TRP 18 3HE TRP 18 -0.973 -9.869 -2.478 146 HZ2 TRP 18 2HZ TRP 18 -5.260 -9.907 0.035 147 HZ3 TRP 18 3HZ TRP 18 -2.526 -11.787 -2.692 148 HH2 TRP 18 HH TRP 18 -4.666 -11.813 -1.439 149 H ASN 19 H ASN 19 0.093 -3.150 -0.856 150 HA ASN 19 HA ASN 19 3.063 -3.449 -0.485 151 1HB ASN 19 2HB ASN 19 1.604 -1.819 -2.246 152 2HB ASN 19 1HB ASN 19 2.031 -0.737 -0.921 153 1HD2 ASN 19 1HD2 ASN 19 3.646 0.395 -2.299 154 2HD2 ASN 19 2HD2 ASN 19 5.112 -0.351 -2.702 155 H ALA 20 H ALA 20 3.538 -1.131 0.965 156 HA ALA 20 HA ALA 20 1.762 -1.527 3.351 157 1HB ALA 20 1HB ALA 20 4.099 -2.316 3.583 158 2HB ALA 20 2HB ALA 20 3.766 -0.963 4.667 159 3HB ALA 20 3HB ALA 20 4.668 -0.702 3.174 160 H CYS 21 H CYS 21 0.720 0.250 4.125 161 HA CYS 21 HA CYS 21 1.073 2.857 2.820 162 1HB CYS 21 2HB CYS 21 -1.036 1.542 3.914 163 2HB CYS 21 1HB CYS 21 -0.560 2.538 5.291 164 H ALA 22 H ALA 22 3.227 3.451 3.443 165 HA ALA 22 HA ALA 22 3.711 3.751 6.389 166 1HB ALA 22 1HB ALA 22 5.300 2.296 5.428 167 2HB ALA 22 2HB ALA 22 6.143 3.846 5.453 168 3HB ALA 22 3HB ALA 22 5.424 3.255 3.952 169 H LEU 23 H LEU 23 5.327 5.361 3.658 170 HA LEU 23 HA LEU 23 5.372 7.907 5.058 171 1HB LEU 23 2HB LEU 23 6.136 6.858 2.331 172 2HB LEU 23 1HB LEU 23 6.281 8.570 2.704 173 HG LEU 23 HG LEU 23 8.081 8.253 4.098 174 1HD1 LEU 23 1HD1 LEU 23 6.753 6.890 5.739 175 2HD1 LEU 23 2HD1 LEU 23 8.425 6.357 5.576 176 3HD1 LEU 23 3HD1 LEU 23 7.131 5.456 4.787 177 1HD2 LEU 23 1HD2 LEU 23 9.588 6.808 3.087 178 2HD2 LEU 23 2HD2 LEU 23 8.353 6.905 1.833 179 3HD2 LEU 23 3HD2 LEU 23 8.402 5.515 2.918 180 H GLY 24 H GLY 24 2.671 7.352 4.955 181 1HA GLY 24 2HA GLY 24 0.653 8.420 4.363 182 2HA GLY 24 1HA GLY 24 1.609 9.591 3.457 183 H ILE 25 H ILE 25 2.375 6.415 2.507 184 HA ILE 25 HA ILE 25 0.251 6.217 0.456 185 HB ILE 25 HB ILE 25 2.610 5.949 -1.022 186 1HG1 ILE 25 2HG1 ILE 25 2.729 8.436 0.705 187 2HG1 ILE 25 1HG1 ILE 25 3.897 7.114 0.715 188 1HG2 ILE 25 1HG2 ILE 25 0.652 8.235 -0.809 189 2HG2 ILE 25 2HG2 ILE 25 0.550 6.839 -1.880 190 3HG2 ILE 25 3HG2 ILE 25 1.816 8.039 -2.120 191 1HD1 ILE 25 1HD1 ILE 25 4.638 9.068 -0.656 192 2HD1 ILE 25 2HD1 ILE 25 3.247 8.808 -1.707 193 3HD1 ILE 25 3HD1 ILE 25 4.506 7.579 -1.592 194 H CYS 26 H CYS 26 0.905 4.262 -1.052 195 HA CYS 26 HA CYS 26 1.584 1.981 0.728 196 1HB CYS 26 2HB CYS 26 0.749 2.248 -2.187 197 2HB CYS 26 1HB CYS 26 0.882 0.719 -1.333 198 H MET 27 H MET 27 3.917 1.828 0.993 199 HA MET 27 HA MET 27 5.416 1.662 -1.585 200 1HB MET 27 2HB MET 27 5.631 3.665 0.571 201 2HB MET 27 1HB MET 27 7.170 3.056 -0.043 202 1HG MET 27 2HG MET 27 4.996 3.912 -1.943 203 2HG MET 27 1HG MET 27 6.084 5.102 -1.229 204 1HE MET 27 1HE MET 27 9.398 3.484 -1.652 205 2HE MET 27 2HE MET 27 8.354 4.655 -0.850 206 3HE MET 27 3HE MET 27 9.124 5.075 -2.378 207 HA PRO 28 HA PRO 28 8.451 -0.468 1.275 208 1HB PRO 28 2HB PRO 28 8.378 -0.076 3.996 209 2HB PRO 28 1HB PRO 28 9.240 1.011 2.891 210 1HG PRO 28 2HG PRO 28 6.550 1.322 4.125 211 2HG PRO 28 1HG PRO 28 7.842 2.513 3.885 212 1HD PRO 28 2HD PRO 28 5.679 2.371 2.254 213 2HD PRO 28 1HD PRO 28 7.278 2.902 1.692 214 H ARG 29 HN ARG 29 6.706 -2.020 0.535 215 HA ARG 29 HA ARG 29 4.599 -3.085 2.023 216 1HB ARG 29 2HB ARG 29 4.983 -5.116 0.676 217 2HB ARG 29 1HB ARG 29 5.187 -3.663 -0.296 218 1HG ARG 29 2HG ARG 29 7.164 -4.595 -0.911 219 2HG ARG 29 1HG ARG 29 7.731 -4.048 0.665 220 1HD ARG 29 2HD ARG 29 7.539 -6.172 1.627 221 2HD ARG 29 1HD ARG 29 6.331 -6.707 0.442 222 HE ARG 29 HE ARG 29 8.704 -6.076 -0.995 223 1HH1 ARG 29 1HH2 ARG 29 7.549 -8.343 1.366 224 2HH1 ARG 29 2HH2 ARG 29 8.623 -9.600 0.865 225 1HH2 ARG 29 1HH1 ARG 29 10.106 -7.715 -1.648 226 2HH2 ARG 29 2HH1 ARG 29 10.086 -9.239 -0.828 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 -9.896 -2.075 -6.760 2 2H GLY 1 2HT GLY 1 -11.268 -1.865 -7.742 3 3H GLY 1 3HT GLY 1 -11.391 -2.705 -6.268 4 1HA GLY 1 2HA GLY 1 -11.271 0.172 -6.769 5 2HA GLY 1 1HA GLY 1 -12.201 -0.719 -5.566 6 H CYS 2 H CYS 2 -8.941 0.452 -6.344 7 HA CYS 2 HA CYS 2 -8.355 0.960 -3.519 8 1HB CYS 2 2HB CYS 2 -6.374 -0.718 -3.628 9 2HB CYS 2 1HB CYS 2 -7.984 -1.394 -3.411 10 H LYS 3 H LYS 3 -5.610 1.217 -3.573 11 HA LYS 3 HA LYS 3 -5.119 2.975 -5.965 12 1HB LYS 3 2HB LYS 3 -3.918 3.306 -3.203 13 2HB LYS 3 1HB LYS 3 -3.967 4.470 -4.519 14 1HG LYS 3 2HG LYS 3 -6.399 4.657 -4.333 15 2HG LYS 3 1HG LYS 3 -6.408 3.456 -3.043 16 1HD LYS 3 2HD LYS 3 -5.088 4.895 -1.603 17 2HD LYS 3 1HD LYS 3 -4.877 6.071 -2.904 18 1HE LYS 3 2HE LYS 3 -7.580 5.961 -2.871 19 2HE LYS 3 1HE LYS 3 -7.252 5.576 -1.168 20 1HZ LYS 3 1HZ LYS 3 -7.288 7.933 -1.347 21 2HZ LYS 3 2HZ LYS 3 -6.279 7.924 -2.708 22 3HZ LYS 3 3HZ LYS 3 -5.654 7.489 -1.179 23 H LEU 4 H LEU 4 -2.758 3.323 -6.380 24 HA LEU 4 HA LEU 4 -1.360 0.729 -6.488 25 1HB LEU 4 2HB LEU 4 -1.153 3.468 -7.704 26 2HB LEU 4 1HB LEU 4 0.239 2.403 -7.799 27 HG LEU 4 HG LEU 4 -0.818 0.899 -9.205 28 1HD1 LEU 4 1HD1 LEU 4 -3.494 1.907 -8.178 29 2HD1 LEU 4 2HD1 LEU 4 -2.714 0.395 -7.714 30 3HD1 LEU 4 3HD1 LEU 4 -3.271 0.623 -9.369 31 1HD2 LEU 4 1HD2 LEU 4 -0.728 3.194 -10.243 32 2HD2 LEU 4 2HD2 LEU 4 -2.419 3.406 -9.784 33 3HD2 LEU 4 3HD2 LEU 4 -1.966 2.144 -10.931 34 H THR 5 H THR 5 1.320 2.009 -6.486 35 HA THR 5 HA THR 5 1.928 1.757 -3.683 36 HB THR 5 HB THR 5 3.991 2.993 -5.315 37 HG1 THR 5 1HG THR 5 4.014 1.595 -6.996 38 1HG2 THR 5 1HG2 THR 5 3.548 0.390 -3.881 39 2HG2 THR 5 2HG2 THR 5 4.712 1.664 -3.521 40 3HG2 THR 5 3HG2 THR 5 4.964 0.604 -4.909 41 H PHE 6 H PHE 6 2.831 4.554 -5.735 42 HA PHE 6 HA PHE 6 3.005 6.323 -3.468 43 1HB PHE 6 2HB PHE 6 3.097 6.635 -6.469 44 2HB PHE 6 1HB PHE 6 3.267 8.020 -5.391 45 HD1 PHE 6 1HD PHE 6 5.231 6.155 -7.330 46 HD2 PHE 6 2HD PHE 6 4.791 6.968 -3.133 47 HE1 PHE 6 1HE PHE 6 7.619 5.573 -6.967 48 HE2 PHE 6 2HE PHE 6 7.176 6.387 -2.768 49 HZ PHE 6 HZ PHE 6 8.586 5.686 -4.684 50 H TRP 7 H TRP 7 0.254 5.190 -3.745 51 HA TRP 7 HA TRP 7 -1.273 7.673 -4.418 52 1HB TRP 7 2HB TRP 7 -1.960 4.747 -4.060 53 2HB TRP 7 1HB TRP 7 -3.190 6.003 -4.191 54 HD1 TRP 7 HD TRP 7 0.108 5.620 -6.153 55 HE1 TRP 7 1HE TRP 7 -0.446 5.635 -8.670 56 HE3 TRP 7 3HE TRP 7 -4.990 5.809 -5.934 57 HZ2 TRP 7 2HZ TRP 7 -2.748 5.717 -10.365 58 HZ3 TRP 7 3HZ TRP 7 -6.339 5.854 -8.014 59 HH2 TRP 7 HH TRP 7 -5.222 5.804 -10.227 60 H LYS 8 H LYS 8 -2.055 8.878 -2.702 61 HA LYS 8 HA LYS 8 -1.305 8.466 -0.031 62 1HB LYS 8 2HB LYS 8 -2.026 10.606 -0.789 63 2HB LYS 8 1HB LYS 8 -3.538 9.960 -1.424 64 1HG LYS 8 2HG LYS 8 -3.368 9.367 1.380 65 2HG LYS 8 1HG LYS 8 -3.074 11.088 1.132 66 1HD LYS 8 2HD LYS 8 -5.239 10.068 -0.543 67 2HD LYS 8 1HD LYS 8 -5.567 9.858 1.179 68 1HE LYS 8 2HE LYS 8 -6.012 12.072 1.398 69 2HE LYS 8 1HE LYS 8 -4.426 12.484 0.718 70 1HZ LYS 8 1HZ LYS 8 -6.171 13.294 -0.729 71 2HZ LYS 8 2HZ LYS 8 -6.858 11.745 -0.832 72 3HZ LYS 8 3HZ LYS 8 -5.326 12.046 -1.507 73 H CYS 9 H CYS 9 -1.730 6.431 0.831 74 HA CYS 9 HA CYS 9 -4.551 5.428 0.747 75 1HB CYS 9 2HB CYS 9 -3.448 3.557 0.167 76 2HB CYS 9 1HB CYS 9 -1.891 4.295 0.518 77 H LYS 10 H LYS 10 -5.323 4.367 2.791 78 HA LYS 10 HA LYS 10 -4.406 5.871 5.217 79 1HB LYS 10 2HB LYS 10 -6.901 5.524 3.942 80 2HB LYS 10 1HB LYS 10 -6.973 4.527 5.396 81 1HG LYS 10 2HG LYS 10 -6.304 6.437 6.775 82 2HG LYS 10 1HG LYS 10 -6.139 7.440 5.335 83 1HD LYS 10 2HD LYS 10 -8.748 6.117 5.496 84 2HD LYS 10 1HD LYS 10 -8.440 7.181 6.868 85 1HE LYS 10 2HE LYS 10 -7.938 9.048 5.347 86 2HE LYS 10 1HE LYS 10 -8.183 7.989 3.944 87 1HZ LYS 10 1HZ LYS 10 -10.198 9.256 4.544 88 2HZ LYS 10 2HZ LYS 10 -10.214 8.502 6.060 89 3HZ LYS 10 3HZ LYS 10 -10.441 7.582 4.650 90 H ASN 11 H ASN 11 -5.463 2.677 4.016 91 HA ASN 11 HA ASN 11 -4.262 1.439 6.470 92 1HB ASN 11 2HB ASN 11 -6.446 0.798 6.686 93 2HB ASN 11 1HB ASN 11 -6.801 1.116 4.994 94 1HD2 ASN 11 1HD2 ASN 11 -7.167 -0.707 3.757 95 2HD2 ASN 11 2HD2 ASN 11 -6.643 -2.268 4.141 96 H LYS 12 H LYS 12 -2.903 -0.322 6.163 97 HA LYS 12 HA LYS 12 -1.288 -0.487 3.841 98 1HB LYS 12 2HB LYS 12 -0.720 -1.234 6.146 99 2HB LYS 12 1HB LYS 12 -1.844 -2.579 5.977 100 1HG LYS 12 2HG LYS 12 -0.415 -3.775 4.661 101 2HG LYS 12 1HG LYS 12 0.149 -2.345 3.800 102 1HD LYS 12 2HD LYS 12 2.066 -2.662 4.997 103 2HD LYS 12 1HD LYS 12 1.169 -1.880 6.299 104 1HE LYS 12 2HE LYS 12 0.388 -4.153 7.058 105 2HE LYS 12 1HE LYS 12 1.445 -4.876 5.830 106 1HZ LYS 12 1HZ LYS 12 3.334 -3.733 6.798 107 2HZ LYS 12 2HZ LYS 12 2.567 -4.664 7.994 108 3HZ LYS 12 3HZ LYS 12 2.339 -2.983 7.949 109 H LYS 13 H LYS 13 -4.108 -2.494 4.736 110 HA LYS 13 HA LYS 13 -3.774 -4.195 2.368 111 1HB LYS 13 2HB LYS 13 -5.886 -3.898 4.519 112 2HB LYS 13 1HB LYS 13 -5.995 -5.093 3.228 113 1HG LYS 13 2HG LYS 13 -3.556 -5.724 3.999 114 2HG LYS 13 1HG LYS 13 -4.037 -4.931 5.500 115 1HD LYS 13 2HD LYS 13 -6.219 -6.569 4.803 116 2HD LYS 13 1HD LYS 13 -4.788 -7.550 4.499 117 1HE LYS 13 2HE LYS 13 -5.026 -5.994 7.079 118 2HE LYS 13 1HE LYS 13 -5.809 -7.579 6.909 119 1HZ LYS 13 1HZ LYS 13 -3.626 -8.404 6.038 120 2HZ LYS 13 2HZ LYS 13 -3.614 -7.979 7.680 121 3HZ LYS 13 3HZ LYS 13 -2.936 -6.935 6.525 122 H GLU 14 H GLU 14 -4.477 -1.090 2.201 123 HA GLU 14 HA GLU 14 -6.997 -1.329 0.626 124 1HB GLU 14 2HB GLU 14 -7.403 0.764 1.377 125 2HB GLU 14 1HB GLU 14 -6.055 0.514 2.481 126 1HG GLU 14 2HG GLU 14 -4.555 1.694 1.096 127 2HG GLU 14 1HG GLU 14 -5.595 1.535 -0.320 128 H CYS 15 H CYS 15 -3.557 -1.038 0.185 129 HA CYS 15 HA CYS 15 -3.604 0.231 -2.440 130 1HB CYS 15 2HB CYS 15 -1.455 -1.670 -1.526 131 2HB CYS 15 1HB CYS 15 -1.291 -0.157 -2.409 132 H CYS 16 H CYS 16 -3.764 -0.769 -4.471 133 HA CYS 16 HA CYS 16 -5.084 -3.287 -4.753 134 1HB CYS 16 2HB CYS 16 -3.301 -1.798 -6.715 135 2HB CYS 16 1HB CYS 16 -4.494 -3.022 -7.142 136 H GLY 17 H GLY 17 -1.699 -2.578 -5.686 137 1HA GLY 17 2HA GLY 17 -1.035 -5.424 -5.607 138 2HA GLY 17 1HA GLY 17 0.104 -4.102 -5.895 139 H TRP 18 H TRP 18 -1.163 -6.249 -3.551 140 HA TRP 18 HA TRP 18 -1.081 -5.366 -1.049 141 1HB TRP 18 2HB TRP 18 0.413 -7.613 -2.344 142 2HB TRP 18 1HB TRP 18 0.634 -7.346 -0.616 143 HD1 TRP 18 HD TRP 18 -2.327 -6.427 0.101 144 HE1 TRP 18 1HE TRP 18 -4.244 -8.156 0.080 145 HE3 TRP 18 3HE TRP 18 -0.265 -10.012 -2.911 146 HZ2 TRP 18 2HZ TRP 18 -4.817 -10.711 -1.055 147 HZ3 TRP 18 3HZ TRP 18 -1.522 -12.078 -3.439 148 HH2 TRP 18 HH TRP 18 -3.793 -12.430 -2.519 149 H ASN 19 H ASN 19 -0.100 -3.342 -0.770 150 HA ASN 19 HA ASN 19 2.907 -3.306 -0.634 151 1HB ASN 19 2HB ASN 19 0.945 -1.673 -1.985 152 2HB ASN 19 1HB ASN 19 1.789 -0.692 -0.785 153 1HD2 ASN 19 1HD2 ASN 19 4.221 -0.626 -0.967 154 2HD2 ASN 19 2HD2 ASN 19 4.932 -0.887 -2.480 155 H ALA 20 H ALA 20 3.340 -1.142 0.883 156 HA ALA 20 HA ALA 20 1.758 -1.609 3.388 157 1HB ALA 20 1HB ALA 20 3.925 -1.028 4.511 158 2HB ALA 20 2HB ALA 20 4.671 -0.913 2.917 159 3HB ALA 20 3HB ALA 20 4.048 -2.461 3.491 160 H CYS 21 H CYS 21 0.746 0.203 4.170 161 HA CYS 21 HA CYS 21 1.163 2.802 2.855 162 1HB CYS 21 2HB CYS 21 -0.965 1.545 4.034 163 2HB CYS 21 1HB CYS 21 -0.448 2.614 5.336 164 H ALA 22 H ALA 22 3.111 3.720 3.428 165 HA ALA 22 HA ALA 22 3.774 3.837 6.355 166 1HB ALA 22 1HB ALA 22 5.375 3.370 3.848 167 2HB ALA 22 2HB ALA 22 5.361 2.442 5.351 168 3HB ALA 22 3HB ALA 22 6.162 4.012 5.292 169 H LEU 23 H LEU 23 5.373 5.511 3.680 170 HA LEU 23 HA LEU 23 5.338 8.058 5.068 171 1HB LEU 23 2HB LEU 23 6.128 7.052 2.322 172 2HB LEU 23 1HB LEU 23 6.260 8.753 2.742 173 HG LEU 23 HG LEU 23 8.097 8.416 4.059 174 1HD1 LEU 23 1HD1 LEU 23 7.142 5.650 4.838 175 2HD1 LEU 23 2HD1 LEU 23 6.743 7.112 5.743 176 3HD1 LEU 23 3HD1 LEU 23 8.420 6.589 5.602 177 1HD2 LEU 23 1HD2 LEU 23 8.250 5.657 2.859 178 2HD2 LEU 23 2HD2 LEU 23 9.550 6.815 3.137 179 3HD2 LEU 23 3HD2 LEU 23 8.385 7.091 1.840 180 H GLY 24 H GLY 24 2.651 7.406 4.932 181 1HA GLY 24 2HA GLY 24 0.606 8.412 4.337 182 2HA GLY 24 1HA GLY 24 1.529 9.629 3.455 183 H ILE 25 H ILE 25 2.390 6.478 2.509 184 HA ILE 25 HA ILE 25 0.323 6.269 0.394 185 HB ILE 25 HB ILE 25 2.802 5.983 -0.928 186 1HG1 ILE 25 2HG1 ILE 25 2.646 8.572 0.641 187 2HG1 ILE 25 1HG1 ILE 25 3.889 7.331 0.808 188 1HG2 ILE 25 1HG2 ILE 25 0.778 6.674 -2.003 189 2HG2 ILE 25 2HG2 ILE 25 1.976 7.945 -2.224 190 3HG2 ILE 25 3HG2 ILE 25 0.693 8.138 -1.025 191 1HD1 ILE 25 1HD1 ILE 25 4.832 7.817 -1.283 192 2HD1 ILE 25 2HD1 ILE 25 4.367 9.414 -0.702 193 3HD1 ILE 25 3HD1 ILE 25 3.353 8.577 -1.875 194 H CYS 26 H CYS 26 1.099 4.316 -1.129 195 HA CYS 26 HA CYS 26 1.705 2.035 0.702 196 1HB CYS 26 2HB CYS 26 0.866 2.268 -2.215 197 2HB CYS 26 1HB CYS 26 0.971 0.758 -1.329 198 H MET 27 H MET 27 4.018 1.748 0.921 199 HA MET 27 HA MET 27 5.506 1.562 -1.649 200 1HB MET 27 2HB MET 27 5.666 3.687 0.351 201 2HB MET 27 1HB MET 27 7.239 3.019 -0.081 202 1HG MET 27 2HG MET 27 5.387 3.535 -2.336 203 2HG MET 27 1HG MET 27 6.008 4.959 -1.506 204 1HE MET 27 1HE MET 27 8.164 2.044 -4.220 205 2HE MET 27 2HE MET 27 6.472 2.532 -4.175 206 3HE MET 27 3HE MET 27 7.104 1.449 -2.936 207 HA PRO 28 HA PRO 28 8.597 -0.347 1.367 208 1HB PRO 28 2HB PRO 28 8.320 0.055 4.063 209 2HB PRO 28 1HB PRO 28 9.209 1.175 3.009 210 1HG PRO 28 2HG PRO 28 6.420 1.358 4.045 211 2HG PRO 28 1HG PRO 28 7.656 2.616 3.899 212 1HD PRO 28 2HD PRO 28 5.632 2.384 2.128 213 2HD PRO 28 1HD PRO 28 7.252 2.953 1.658 214 H ARG 29 HN ARG 29 6.957 -1.997 0.545 215 HA ARG 29 HA ARG 29 4.925 -3.223 2.078 216 1HB ARG 29 2HB ARG 29 6.069 -3.553 -0.373 217 2HB ARG 29 1HB ARG 29 6.704 -4.973 0.457 218 1HG ARG 29 2HG ARG 29 3.899 -4.621 1.078 219 2HG ARG 29 1HG ARG 29 4.129 -4.662 -0.667 220 1HD ARG 29 2HD ARG 29 3.781 -6.940 0.328 221 2HD ARG 29 1HD ARG 29 5.349 -6.783 -0.489 222 HE ARG 29 HE ARG 29 5.361 -6.066 2.366 223 1HH1 ARG 29 1HH2 ARG 29 5.803 -8.567 -0.015 224 2HH1 ARG 29 2HH2 ARG 29 6.905 -9.469 0.961 225 1HH2 ARG 29 1HH1 ARG 29 6.790 -7.224 3.617 226 2HH2 ARG 29 2HH1 ARG 29 7.462 -8.710 3.030 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 -12.023 2.676 -6.935 2 2H GLY 1 2HT GLY 1 -10.418 3.095 -6.570 3 3H GLY 1 3HT GLY 1 -11.694 3.665 -5.604 4 1HA GLY 1 2HA GLY 1 -11.918 1.749 -4.467 5 2HA GLY 1 1HA GLY 1 -11.493 0.780 -5.872 6 H CYS 2 H CYS 2 -9.644 -0.338 -5.470 7 HA CYS 2 HA CYS 2 -7.717 0.375 -3.447 8 1HB CYS 2 2HB CYS 2 -6.509 -1.535 -4.354 9 2HB CYS 2 1HB CYS 2 -8.230 -1.909 -4.399 10 H LYS 3 H LYS 3 -5.439 1.023 -3.844 11 HA LYS 3 HA LYS 3 -5.090 2.570 -6.400 12 1HB LYS 3 2HB LYS 3 -4.062 3.286 -3.633 13 2HB LYS 3 1HB LYS 3 -3.986 4.280 -5.085 14 1HG LYS 3 2HG LYS 3 -6.414 4.440 -5.179 15 2HG LYS 3 1HG LYS 3 -6.567 3.353 -3.803 16 1HD LYS 3 2HD LYS 3 -4.808 5.634 -3.255 17 2HD LYS 3 1HD LYS 3 -6.455 6.122 -3.656 18 1HE LYS 3 2HE LYS 3 -5.854 3.957 -1.612 19 2HE LYS 3 1HE LYS 3 -6.040 5.666 -1.178 20 1HZ LYS 3 1HZ LYS 3 -8.212 5.713 -2.075 21 2HZ LYS 3 2HZ LYS 3 -8.144 4.316 -1.100 22 3HZ LYS 3 3HZ LYS 3 -8.047 4.188 -2.797 23 H LEU 4 H LEU 4 -2.555 3.205 -6.430 24 HA LEU 4 HA LEU 4 -1.128 0.615 -6.496 25 1HB LEU 4 2HB LEU 4 -0.670 3.392 -7.628 26 2HB LEU 4 1HB LEU 4 0.529 2.120 -7.790 27 HG LEU 4 HG LEU 4 -0.775 2.109 -9.799 28 1HD1 LEU 4 1HD1 LEU 4 -2.066 -0.089 -8.204 29 2HD1 LEU 4 2HD1 LEU 4 -0.324 -0.097 -8.496 30 3HD1 LEU 4 3HD1 LEU 4 -1.451 -0.122 -9.852 31 1HD2 LEU 4 1HD2 LEU 4 -3.062 2.364 -9.914 32 2HD2 LEU 4 2HD2 LEU 4 -2.748 3.258 -8.427 33 3HD2 LEU 4 3HD2 LEU 4 -3.343 1.597 -8.357 34 H THR 5 H THR 5 1.429 2.395 -6.337 35 HA THR 5 HA THR 5 1.903 1.955 -3.496 36 HB THR 5 HB THR 5 3.997 3.329 -4.937 37 HG1 THR 5 1HG THR 5 4.105 2.182 -6.752 38 1HG2 THR 5 1HG2 THR 5 4.246 0.422 -4.493 39 2HG2 THR 5 2HG2 THR 5 3.740 1.326 -3.062 40 3HG2 THR 5 3HG2 THR 5 5.240 1.741 -3.889 41 H PHE 6 H PHE 6 2.874 4.831 -5.403 42 HA PHE 6 HA PHE 6 2.682 6.559 -3.093 43 1HB PHE 6 2HB PHE 6 3.701 6.587 -5.779 44 2HB PHE 6 1HB PHE 6 2.770 8.059 -5.507 45 HD1 PHE 6 1HD PHE 6 4.905 5.930 -3.274 46 HD2 PHE 6 2HD PHE 6 4.191 9.814 -4.940 47 HE1 PHE 6 1HE PHE 6 6.750 6.850 -1.899 48 HE2 PHE 6 2HE PHE 6 6.037 10.744 -3.570 49 HZ PHE 6 HZ PHE 6 7.323 9.262 -2.048 50 H TRP 7 H TRP 7 0.069 5.324 -3.637 51 HA TRP 7 HA TRP 7 -1.537 7.675 -4.543 52 1HB TRP 7 2HB TRP 7 -2.063 4.709 -4.187 53 2HB TRP 7 1HB TRP 7 -3.342 5.872 -4.520 54 HD1 TRP 7 HD TRP 7 0.208 5.471 -6.020 55 HE1 TRP 7 1HE TRP 7 -0.005 5.447 -8.585 56 HE3 TRP 7 3HE TRP 7 -4.877 5.759 -6.483 57 HZ2 TRP 7 2HZ TRP 7 -2.063 5.514 -10.572 58 HZ3 TRP 7 3HZ TRP 7 -5.931 5.765 -8.728 59 HH2 TRP 7 HH TRP 7 -4.529 5.646 -10.772 60 H LYS 8 H LYS 8 -2.031 8.947 -2.755 61 HA LYS 8 HA LYS 8 -1.713 8.649 -0.095 62 1HB LYS 8 2HB LYS 8 -3.621 10.032 -1.826 63 2HB LYS 8 1HB LYS 8 -4.283 9.731 -0.220 64 1HG LYS 8 2HG LYS 8 -3.180 11.803 0.008 65 2HG LYS 8 1HG LYS 8 -2.024 10.645 0.669 66 1HD LYS 8 2HD LYS 8 -0.647 10.741 -1.237 67 2HD LYS 8 1HD LYS 8 -1.931 11.402 -2.252 68 1HE LYS 8 2HE LYS 8 -1.844 13.534 -1.002 69 2HE LYS 8 1HE LYS 8 -0.571 12.871 0.044 70 1HZ LYS 8 1HZ LYS 8 -0.424 13.130 -2.919 71 2HZ LYS 8 2HZ LYS 8 0.786 12.467 -1.926 72 3HZ LYS 8 3HZ LYS 8 0.388 14.113 -1.803 73 H CYS 9 H CYS 9 -1.946 6.683 0.932 74 HA CYS 9 HA CYS 9 -4.661 5.397 0.827 75 1HB CYS 9 2HB CYS 9 -3.447 3.631 0.109 76 2HB CYS 9 1HB CYS 9 -1.935 4.463 0.446 77 H LYS 10 H LYS 10 -5.459 4.499 2.814 78 HA LYS 10 HA LYS 10 -4.421 5.882 5.250 79 1HB LYS 10 2HB LYS 10 -6.841 6.019 4.306 80 2HB LYS 10 1HB LYS 10 -7.029 4.382 4.939 81 1HG LYS 10 2HG LYS 10 -6.323 5.191 7.183 82 2HG LYS 10 1HG LYS 10 -6.223 6.829 6.536 83 1HD LYS 10 2HD LYS 10 -8.737 6.107 5.727 84 2HD LYS 10 1HD LYS 10 -8.604 5.224 7.247 85 1HE LYS 10 2HE LYS 10 -7.551 7.732 7.875 86 2HE LYS 10 1HE LYS 10 -8.923 8.106 6.814 87 1HZ LYS 10 1HZ LYS 10 -9.909 7.855 8.889 88 2HZ LYS 10 2HZ LYS 10 -8.910 6.557 9.333 89 3HZ LYS 10 3HZ LYS 10 -10.138 6.326 8.184 90 H ASN 11 H ASN 11 -5.266 2.646 3.974 91 HA ASN 11 HA ASN 11 -3.867 1.491 6.382 92 1HB ASN 11 2HB ASN 11 -5.530 -0.376 6.209 93 2HB ASN 11 1HB ASN 11 -6.276 1.181 6.562 94 1HD2 ASN 11 1HD2 ASN 11 -6.176 -1.432 4.264 95 2HD2 ASN 11 2HD2 ASN 11 -7.234 -0.744 3.136 96 H LYS 12 H LYS 12 -2.585 -0.371 5.975 97 HA LYS 12 HA LYS 12 -1.169 -0.494 3.549 98 1HB LYS 12 2HB LYS 12 -0.166 -2.463 4.496 99 2HB LYS 12 1HB LYS 12 -0.540 -1.385 5.835 100 1HG LYS 12 2HG LYS 12 -2.844 -2.795 5.739 101 2HG LYS 12 1HG LYS 12 -1.730 -4.016 5.124 102 1HD LYS 12 2HD LYS 12 -1.085 -2.446 7.617 103 2HD LYS 12 1HD LYS 12 -2.108 -3.880 7.687 104 1HE LYS 12 2HE LYS 12 -0.335 -5.253 6.699 105 2HE LYS 12 1HE LYS 12 0.695 -3.820 6.505 106 1HZ LYS 12 1HZ LYS 12 1.345 -4.707 8.552 107 2HZ LYS 12 2HZ LYS 12 -0.246 -5.080 9.016 108 3HZ LYS 12 3HZ LYS 12 0.279 -3.466 8.985 109 H LYS 13 H LYS 13 -4.167 -2.166 4.420 110 HA LYS 13 HA LYS 13 -4.056 -3.929 2.060 111 1HB LYS 13 2HB LYS 13 -6.395 -3.327 3.906 112 2HB LYS 13 1HB LYS 13 -6.153 -4.766 2.920 113 1HG LYS 13 2HG LYS 13 -3.990 -5.121 4.311 114 2HG LYS 13 1HG LYS 13 -4.686 -3.954 5.435 115 1HD LYS 13 2HD LYS 13 -6.832 -5.524 5.151 116 2HD LYS 13 1HD LYS 13 -5.597 -6.725 4.775 117 1HE LYS 13 2HE LYS 13 -4.850 -6.808 6.936 118 2HE LYS 13 1HE LYS 13 -5.005 -5.056 7.156 119 1HZ LYS 13 1HZ LYS 13 -7.469 -5.393 7.143 120 2HZ LYS 13 2HZ LYS 13 -6.683 -6.090 8.478 121 3HZ LYS 13 3HZ LYS 13 -7.204 -7.064 7.183 122 H GLU 14 H GLU 14 -4.318 -0.733 2.064 123 HA GLU 14 HA GLU 14 -6.815 -0.392 0.517 124 1HB GLU 14 2HB GLU 14 -6.254 1.315 2.115 125 2HB GLU 14 1HB GLU 14 -4.591 1.403 1.535 126 1HG GLU 14 2HG GLU 14 -5.142 2.872 -0.088 127 2HG GLU 14 1HG GLU 14 -6.512 1.895 -0.586 128 H CYS 15 H CYS 15 -3.389 -0.854 -0.063 129 HA CYS 15 HA CYS 15 -3.467 0.200 -2.812 130 1HB CYS 15 2HB CYS 15 -1.263 -1.610 -2.050 131 2HB CYS 15 1HB CYS 15 -1.192 0.032 -2.676 132 H CYS 16 H CYS 16 -3.914 -1.034 -4.644 133 HA CYS 16 HA CYS 16 -5.255 -3.530 -4.454 134 1HB CYS 16 2HB CYS 16 -4.465 -1.676 -6.454 135 2HB CYS 16 1HB CYS 16 -3.875 -3.253 -6.984 136 H GLY 17 H GLY 17 -1.895 -3.011 -5.614 137 1HA GLY 17 2HA GLY 17 -1.316 -5.877 -5.381 138 2HA GLY 17 1HA GLY 17 -0.161 -4.615 -5.822 139 H TRP 18 H TRP 18 -1.406 -6.518 -3.250 140 HA TRP 18 HA TRP 18 -1.158 -5.563 -0.828 141 1HB TRP 18 2HB TRP 18 -0.122 -7.939 -2.125 142 2HB TRP 18 1HB TRP 18 0.892 -7.497 -0.755 143 HD1 TRP 18 HD TRP 18 -1.807 -6.157 0.772 144 HE1 TRP 18 1HE TRP 18 -3.315 -7.829 2.028 145 HE3 TRP 18 3HE TRP 18 -0.375 -10.520 -1.474 146 HZ2 TRP 18 2HZ TRP 18 -3.865 -10.631 2.058 147 HZ3 TRP 18 3HZ TRP 18 -1.417 -12.667 -0.822 148 HH2 TRP 18 HH TRP 18 -3.161 -12.727 0.942 149 H ASN 19 H ASN 19 -0.189 -3.637 -0.407 150 HA ASN 19 HA ASN 19 2.814 -3.558 -0.449 151 1HB ASN 19 2HB ASN 19 1.858 -2.426 -2.432 152 2HB ASN 19 1HB ASN 19 0.857 -1.433 -1.374 153 1HD2 ASN 19 1HD2 ASN 19 4.090 -1.812 -2.680 154 2HD2 ASN 19 2HD2 ASN 19 4.739 -0.428 -1.947 155 H ALA 20 H ALA 20 3.607 -1.761 1.059 156 HA ALA 20 HA ALA 20 1.896 -1.705 3.493 157 1HB ALA 20 1HB ALA 20 4.328 -2.524 3.337 158 2HB ALA 20 2HB ALA 20 3.963 -1.388 4.637 159 3HB ALA 20 3HB ALA 20 4.763 -0.821 3.171 160 H CYS 21 H CYS 21 0.920 0.155 4.136 161 HA CYS 21 HA CYS 21 1.432 2.690 2.706 162 1HB CYS 21 2HB CYS 21 -0.799 1.516 3.763 163 2HB CYS 21 1HB CYS 21 -0.340 2.569 5.097 164 H ALA 22 H ALA 22 3.316 3.687 3.418 165 HA ALA 22 HA ALA 22 3.769 3.783 6.388 166 1HB ALA 22 1HB ALA 22 6.238 3.880 5.571 167 2HB ALA 22 2HB ALA 22 5.581 3.312 4.034 168 3HB ALA 22 3HB ALA 22 5.389 2.335 5.490 169 H LEU 23 H LEU 23 5.355 5.418 3.640 170 HA LEU 23 HA LEU 23 5.517 7.931 5.093 171 1HB LEU 23 2HB LEU 23 6.098 6.974 2.280 172 2HB LEU 23 1HB LEU 23 6.350 8.650 2.748 173 HG LEU 23 HG LEU 23 8.244 8.163 3.928 174 1HD1 LEU 23 1HD1 LEU 23 8.542 6.320 5.441 175 2HD1 LEU 23 2HD1 LEU 23 7.214 5.423 4.709 176 3HD1 LEU 23 3HD1 LEU 23 6.883 6.877 5.650 177 1HD2 LEU 23 1HD2 LEU 23 8.309 5.393 2.806 178 2HD2 LEU 23 2HD2 LEU 23 9.543 6.653 2.767 179 3HD2 LEU 23 3HD2 LEU 23 8.171 6.732 1.661 180 H GLY 24 H GLY 24 2.818 7.429 5.141 181 1HA GLY 24 2HA GLY 24 0.788 8.538 4.692 182 2HA GLY 24 1HA GLY 24 1.697 9.694 3.720 183 H ILE 25 H ILE 25 2.453 6.613 2.618 184 HA ILE 25 HA ILE 25 0.129 6.307 0.821 185 HB ILE 25 HB ILE 25 2.552 6.327 -0.765 186 1HG1 ILE 25 2HG1 ILE 25 1.909 8.921 0.677 187 2HG1 ILE 25 1HG1 ILE 25 3.401 7.993 0.828 188 1HG2 ILE 25 1HG2 ILE 25 0.373 6.490 -1.743 189 2HG2 ILE 25 2HG2 ILE 25 1.222 7.999 -2.066 190 3HG2 ILE 25 3HG2 ILE 25 -0.002 7.932 -0.798 191 1HD1 ILE 25 1HD1 ILE 25 3.992 8.412 -1.460 192 2HD1 ILE 25 2HD1 ILE 25 3.517 9.960 -0.764 193 3HD1 ILE 25 3HD1 ILE 25 2.399 9.084 -1.808 194 H CYS 26 H CYS 26 0.875 4.461 -0.885 195 HA CYS 26 HA CYS 26 1.764 2.176 0.780 196 1HB CYS 26 2HB CYS 26 0.884 2.479 -2.118 197 2HB CYS 26 1HB CYS 26 1.184 0.939 -1.333 198 H MET 27 H MET 27 3.984 1.663 0.878 199 HA MET 27 HA MET 27 5.588 2.029 -1.593 200 1HB MET 27 2HB MET 27 5.715 3.714 0.830 201 2HB MET 27 1HB MET 27 7.271 3.217 0.163 202 1HG MET 27 2HG MET 27 5.294 4.119 -1.832 203 2HG MET 27 1HG MET 27 5.851 5.369 -0.723 204 1HE MET 27 1HE MET 27 9.572 4.964 -0.721 205 2HE MET 27 2HE MET 27 8.080 5.374 0.120 206 3HE MET 27 3HE MET 27 8.704 6.453 -1.125 207 HA PRO 28 HA PRO 28 8.562 -0.387 1.145 208 1HB PRO 28 2HB PRO 28 8.307 -0.379 3.875 209 2HB PRO 28 1HB PRO 28 9.161 0.891 2.971 210 1HG PRO 28 2HG PRO 28 6.413 0.908 4.112 211 2HG PRO 28 1HG PRO 28 7.626 2.196 4.057 212 1HD PRO 28 2HD PRO 28 5.497 2.037 2.357 213 2HD PRO 28 1HD PRO 28 7.027 2.847 1.957 214 H ARG 29 HN ARG 29 6.775 -1.833 0.094 215 HA ARG 29 HA ARG 29 4.963 -3.336 1.774 216 1HB ARG 29 2HB ARG 29 4.616 -4.636 -0.232 217 2HB ARG 29 1HB ARG 29 4.919 -2.979 -0.754 218 1HG ARG 29 2HG ARG 29 7.390 -4.520 -0.497 219 2HG ARG 29 1HG ARG 29 6.274 -5.242 -1.652 220 1HD ARG 29 2HD ARG 29 6.273 -3.344 -3.043 221 2HD ARG 29 1HD ARG 29 6.843 -2.267 -1.752 222 HE ARG 29 HE ARG 29 8.680 -4.463 -2.386 223 1HH1 ARG 29 1HH2 ARG 29 7.730 -1.203 -3.063 224 2HH1 ARG 29 2HH2 ARG 29 9.268 -0.744 -3.695 225 1HH2 ARG 29 1HH1 ARG 29 10.694 -3.875 -3.222 226 2HH2 ARG 29 2HH1 ARG 29 10.954 -2.260 -3.790 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 -13.028 1.816 -3.913 2 2H GLY 1 2HT GLY 1 -11.778 2.944 -4.130 3 3H GLY 1 3HT GLY 1 -11.717 1.844 -2.838 4 1HA GLY 1 2HA GLY 1 -11.767 0.037 -4.638 5 2HA GLY 1 1HA GLY 1 -11.275 1.351 -5.709 6 H CYS 2 H CYS 2 -9.311 -0.240 -5.763 7 HA CYS 2 HA CYS 2 -7.487 0.056 -3.425 8 1HB CYS 2 2HB CYS 2 -6.218 -1.661 -4.579 9 2HB CYS 2 1HB CYS 2 -7.921 -2.106 -4.678 10 H LYS 3 H LYS 3 -5.249 0.815 -3.825 11 HA LYS 3 HA LYS 3 -5.027 2.710 -6.149 12 1HB LYS 3 2HB LYS 3 -3.894 3.083 -3.352 13 2HB LYS 3 1HB LYS 3 -3.889 4.246 -4.672 14 1HG LYS 3 2HG LYS 3 -6.434 4.089 -4.656 15 2HG LYS 3 1HG LYS 3 -6.271 3.254 -3.108 16 1HD LYS 3 2HD LYS 3 -4.744 5.281 -2.467 17 2HD LYS 3 1HD LYS 3 -5.543 6.089 -3.815 18 1HE LYS 3 2HE LYS 3 -7.243 6.583 -2.393 19 2HE LYS 3 1HE LYS 3 -7.624 4.847 -2.350 20 1HZ LYS 3 1HZ LYS 3 -5.685 6.299 -0.612 21 2HZ LYS 3 2HZ LYS 3 -5.858 4.593 -0.647 22 3HZ LYS 3 3HZ LYS 3 -7.147 5.581 -0.125 23 H LEU 4 H LEU 4 -2.643 3.266 -6.550 24 HA LEU 4 HA LEU 4 -1.106 0.773 -6.772 25 1HB LEU 4 2HB LEU 4 -0.888 3.618 -7.751 26 2HB LEU 4 1HB LEU 4 0.468 2.525 -7.945 27 HG LEU 4 HG LEU 4 -0.861 2.456 -9.961 28 1HD1 LEU 4 1HD1 LEU 4 -1.765 -0.064 -8.669 29 2HD1 LEU 4 2HD1 LEU 4 -0.034 0.278 -8.633 30 3HD1 LEU 4 3HD1 LEU 4 -0.882 0.179 -10.175 31 1HD2 LEU 4 1HD2 LEU 4 -3.219 1.437 -8.399 32 2HD2 LEU 4 2HD2 LEU 4 -3.178 2.136 -10.018 33 3HD2 LEU 4 3HD2 LEU 4 -2.971 3.170 -8.608 34 H THR 5 H THR 5 1.461 2.434 -6.561 35 HA THR 5 HA THR 5 1.919 1.898 -3.724 36 HB THR 5 HB THR 5 4.061 3.252 -5.165 37 HG1 THR 5 1HG THR 5 3.765 2.418 -7.054 38 1HG2 THR 5 1HG2 THR 5 3.560 0.650 -3.791 39 2HG2 THR 5 2HG2 THR 5 4.776 1.878 -3.446 40 3HG2 THR 5 3HG2 THR 5 4.980 0.800 -4.827 41 H PHE 6 H PHE 6 2.824 4.805 -5.618 42 HA PHE 6 HA PHE 6 2.791 6.471 -3.259 43 1HB PHE 6 2HB PHE 6 3.663 6.571 -6.000 44 2HB PHE 6 1HB PHE 6 2.774 8.047 -5.625 45 HD1 PHE 6 1HD PHE 6 4.262 9.767 -5.102 46 HD2 PHE 6 2HD PHE 6 5.011 5.813 -3.598 47 HE1 PHE 6 1HE PHE 6 6.218 10.617 -3.825 48 HE2 PHE 6 2HE PHE 6 6.962 6.666 -2.323 49 HZ PHE 6 HZ PHE 6 7.565 9.067 -2.438 50 H TRP 7 H TRP 7 0.132 5.289 -3.707 51 HA TRP 7 HA TRP 7 -1.486 7.682 -4.476 52 1HB TRP 7 2HB TRP 7 -2.017 4.726 -4.101 53 2HB TRP 7 1HB TRP 7 -3.320 5.895 -4.301 54 HD1 TRP 7 HD TRP 7 0.078 5.745 -6.124 55 HE1 TRP 7 1HE TRP 7 -0.368 5.700 -8.654 56 HE3 TRP 7 3HE TRP 7 -5.029 5.487 -6.112 57 HZ2 TRP 7 2HZ TRP 7 -2.597 5.539 -10.447 58 HZ3 TRP 7 3HZ TRP 7 -6.287 5.360 -8.243 59 HH2 TRP 7 HH TRP 7 -5.071 5.390 -10.417 60 H LYS 8 H LYS 8 -2.127 8.929 -2.752 61 HA LYS 8 HA LYS 8 -1.592 8.680 -0.089 62 1HB LYS 8 2HB LYS 8 -2.796 10.508 -1.480 63 2HB LYS 8 1HB LYS 8 -4.283 9.653 -1.068 64 1HG LYS 8 2HG LYS 8 -4.312 10.670 0.929 65 2HG LYS 8 1HG LYS 8 -2.761 9.932 1.327 66 1HD LYS 8 2HD LYS 8 -1.535 11.774 0.547 67 2HD LYS 8 1HD LYS 8 -2.875 12.375 -0.430 68 1HE LYS 8 2HE LYS 8 -3.264 12.190 2.544 69 2HE LYS 8 1HE LYS 8 -2.298 13.530 1.901 70 1HZ LYS 8 1HZ LYS 8 -4.936 13.638 2.022 71 2HZ LYS 8 2HZ LYS 8 -4.794 12.889 0.506 72 3HZ LYS 8 3HZ LYS 8 -4.066 14.398 0.784 73 H CYS 9 H CYS 9 -1.806 6.706 0.958 74 HA CYS 9 HA CYS 9 -4.517 5.407 0.926 75 1HB CYS 9 2HB CYS 9 -3.216 3.393 1.653 76 2HB CYS 9 1HB CYS 9 -2.680 4.033 0.100 77 H LYS 10 H LYS 10 -5.175 4.385 2.991 78 HA LYS 10 HA LYS 10 -4.254 5.949 5.383 79 1HB LYS 10 2HB LYS 10 -6.553 5.730 6.180 80 2HB LYS 10 1HB LYS 10 -6.584 6.365 4.536 81 1HG LYS 10 2HG LYS 10 -6.723 3.757 3.940 82 2HG LYS 10 1HG LYS 10 -7.430 3.693 5.558 83 1HD LYS 10 2HD LYS 10 -9.260 4.988 4.963 84 2HD LYS 10 1HD LYS 10 -8.382 5.813 3.673 85 1HE LYS 10 2HE LYS 10 -9.643 4.405 2.351 86 2HE LYS 10 1HE LYS 10 -8.309 3.289 2.692 87 1HZ LYS 10 1HZ LYS 10 -10.821 3.544 4.276 88 2HZ LYS 10 2HZ LYS 10 -9.528 2.504 4.647 89 3HZ LYS 10 3HZ LYS 10 -10.433 2.268 3.229 90 H ASN 11 H ASN 11 -4.887 2.787 4.006 91 HA ASN 11 HA ASN 11 -3.870 1.498 6.510 92 1HB ASN 11 2HB ASN 11 -6.263 1.101 6.302 93 2HB ASN 11 1HB ASN 11 -6.096 0.701 4.595 94 1HD2 ASN 11 1HD2 ASN 11 -6.753 -1.507 4.663 95 2HD2 ASN 11 2HD2 ASN 11 -5.956 -2.689 5.580 96 H LYS 12 H LYS 12 -2.850 -0.701 5.933 97 HA LYS 12 HA LYS 12 -1.123 -0.366 3.581 98 1HB LYS 12 2HB LYS 12 0.147 -1.292 5.236 99 2HB LYS 12 1HB LYS 12 -1.255 -1.936 6.080 100 1HG LYS 12 2HG LYS 12 -1.337 -3.852 4.597 101 2HG LYS 12 1HG LYS 12 -0.063 -3.177 3.583 102 1HD LYS 12 2HD LYS 12 0.981 -3.177 6.205 103 2HD LYS 12 1HD LYS 12 0.171 -4.733 6.020 104 1HE LYS 12 2HE LYS 12 1.600 -5.435 4.318 105 2HE LYS 12 1HE LYS 12 1.935 -3.779 3.779 106 1HZ LYS 12 1HZ LYS 12 3.850 -4.563 4.950 107 2HZ LYS 12 2HZ LYS 12 2.902 -5.079 6.274 108 3HZ LYS 12 3HZ LYS 12 3.075 -3.421 5.944 109 H LYS 13 H LYS 13 -3.806 -2.500 4.507 110 HA LYS 13 HA LYS 13 -3.508 -4.167 2.108 111 1HB LYS 13 2HB LYS 13 -4.534 -4.525 4.588 112 2HB LYS 13 1HB LYS 13 -6.015 -4.170 3.696 113 1HG LYS 13 2HG LYS 13 -4.265 -6.010 2.240 114 2HG LYS 13 1HG LYS 13 -4.736 -6.642 3.819 115 1HD LYS 13 2HD LYS 13 -6.945 -5.372 2.340 116 2HD LYS 13 1HD LYS 13 -6.278 -6.799 1.543 117 1HE LYS 13 2HE LYS 13 -6.441 -7.866 3.968 118 2HE LYS 13 1HE LYS 13 -7.658 -6.593 4.210 119 1HZ LYS 13 1HZ LYS 13 -8.879 -7.328 2.345 120 2HZ LYS 13 2HZ LYS 13 -8.513 -8.734 3.219 121 3HZ LYS 13 3HZ LYS 13 -7.635 -8.353 1.816 122 H GLU 14 H GLU 14 -4.404 -1.047 2.119 123 HA GLU 14 HA GLU 14 -6.921 -1.346 0.565 124 1HB GLU 14 2HB GLU 14 -7.082 1.042 0.798 125 2HB GLU 14 1HB GLU 14 -6.542 0.413 2.350 126 1HG GLU 14 2HG GLU 14 -4.570 1.519 2.230 127 2HG GLU 14 1HG GLU 14 -4.310 1.070 0.545 128 H CYS 15 H CYS 15 -3.510 -1.014 0.031 129 HA CYS 15 HA CYS 15 -3.653 0.235 -2.597 130 1HB CYS 15 2HB CYS 15 -1.463 -1.668 -1.844 131 2HB CYS 15 1HB CYS 15 -1.343 -0.087 -2.610 132 H CYS 16 H CYS 16 -3.603 -0.882 -4.678 133 HA CYS 16 HA CYS 16 -5.097 -3.343 -4.821 134 1HB CYS 16 2HB CYS 16 -4.108 -1.352 -6.578 135 2HB CYS 16 1HB CYS 16 -3.421 -2.873 -7.143 136 H GLY 17 H GLY 17 -1.646 -2.858 -5.735 137 1HA GLY 17 2HA GLY 17 -1.146 -5.728 -5.420 138 2HA GLY 17 1HA GLY 17 0.071 -4.500 -5.801 139 H TRP 18 H TRP 18 -1.272 -6.414 -3.345 140 HA TRP 18 HA TRP 18 -1.288 -5.387 -0.913 141 1HB TRP 18 2HB TRP 18 -0.480 -7.826 -1.956 142 2HB TRP 18 1HB TRP 18 0.909 -7.344 -0.984 143 HD1 TRP 18 HD TRP 18 -0.815 -5.750 1.269 144 HE1 TRP 18 1HE TRP 18 -2.117 -7.146 3.004 145 HE3 TRP 18 3HE TRP 18 -1.162 -10.199 -1.229 146 HZ2 TRP 18 2HZ TRP 18 -3.191 -9.781 3.289 147 HZ3 TRP 18 3HZ TRP 18 -2.338 -12.127 -0.206 148 HH2 TRP 18 HH TRP 18 -3.352 -11.924 2.049 149 H ASN 19 H ASN 19 -0.381 -3.337 -0.687 150 HA ASN 19 HA ASN 19 2.605 -3.155 -0.654 151 1HB ASN 19 2HB ASN 19 0.496 -1.630 -1.846 152 2HB ASN 19 1HB ASN 19 1.251 -0.617 -0.622 153 1HD2 ASN 19 1HD2 ASN 19 3.916 -1.009 -0.790 154 2HD2 ASN 19 2HD2 ASN 19 4.495 -0.797 -2.369 155 H ALA 20 H ALA 20 2.648 -0.711 0.823 156 HA ALA 20 HA ALA 20 1.300 -1.324 3.408 157 1HB ALA 20 1HB ALA 20 3.463 -2.342 3.634 158 2HB ALA 20 2HB ALA 20 3.571 -0.797 4.476 159 3HB ALA 20 3HB ALA 20 4.254 -0.971 2.860 160 H CYS 21 H CYS 21 0.417 0.519 4.186 161 HA CYS 21 HA CYS 21 0.949 3.101 2.915 162 1HB CYS 21 2HB CYS 21 -1.251 1.999 3.872 163 2HB CYS 21 1HB CYS 21 -0.695 2.663 5.403 164 H ALA 22 H ALA 22 3.218 3.329 3.514 165 HA ALA 22 HA ALA 22 3.741 3.667 6.434 166 1HB ALA 22 1HB ALA 22 6.153 3.560 5.525 167 2HB ALA 22 2HB ALA 22 5.416 3.096 3.986 168 3HB ALA 22 3HB ALA 22 5.187 2.091 5.421 169 H LEU 23 H LEU 23 5.303 5.163 3.598 170 HA LEU 23 HA LEU 23 5.656 7.703 4.980 171 1HB LEU 23 2HB LEU 23 6.190 6.555 2.239 172 2HB LEU 23 1HB LEU 23 6.412 8.276 2.524 173 HG LEU 23 HG LEU 23 8.264 7.964 3.849 174 1HD1 LEU 23 1HD1 LEU 23 8.674 6.010 5.284 175 2HD1 LEU 23 2HD1 LEU 23 7.228 5.227 4.650 176 3HD1 LEU 23 3HD1 LEU 23 7.085 6.696 5.614 177 1HD2 LEU 23 1HD2 LEU 23 8.315 6.497 1.593 178 2HD2 LEU 23 2HD2 LEU 23 8.584 5.208 2.771 179 3HD2 LEU 23 3HD2 LEU 23 9.684 6.587 2.699 180 H GLY 24 H GLY 24 2.917 7.267 5.008 181 1HA GLY 24 2HA GLY 24 0.933 8.443 4.566 182 2HA GLY 24 1HA GLY 24 1.888 9.611 3.654 183 H ILE 25 H ILE 25 2.494 6.458 2.537 184 HA ILE 25 HA ILE 25 0.248 6.357 0.620 185 HB ILE 25 HB ILE 25 2.653 6.151 -0.909 186 1HG1 ILE 25 2HG1 ILE 25 2.413 8.739 0.651 187 2HG1 ILE 25 1HG1 ILE 25 3.743 7.586 0.762 188 1HG2 ILE 25 1HG2 ILE 25 0.467 6.716 -1.795 189 2HG2 ILE 25 2HG2 ILE 25 1.612 8.001 -2.169 190 3HG2 ILE 25 3HG2 ILE 25 0.449 8.214 -0.860 191 1HD1 ILE 25 1HD1 ILE 25 3.492 9.750 -1.028 192 2HD1 ILE 25 2HD1 ILE 25 3.281 8.291 -1.994 193 3HD1 ILE 25 3HD1 ILE 25 4.742 8.509 -1.030 194 H CYS 26 H CYS 26 0.893 4.442 -1.056 195 HA CYS 26 HA CYS 26 1.566 2.101 0.651 196 1HB CYS 26 2HB CYS 26 0.710 2.469 -2.242 197 2HB CYS 26 1HB CYS 26 0.939 0.896 -1.489 198 H MET 27 H MET 27 3.844 1.825 0.937 199 HA MET 27 HA MET 27 5.408 1.761 -1.600 200 1HB MET 27 2HB MET 27 5.673 3.637 0.682 201 2HB MET 27 1HB MET 27 7.174 3.037 -0.022 202 1HG MET 27 2HG MET 27 5.206 3.803 -2.052 203 2HG MET 27 1HG MET 27 5.663 5.142 -1.003 204 1HE MET 27 1HE MET 27 8.367 2.628 -3.722 205 2HE MET 27 2HE MET 27 6.614 2.553 -3.571 206 3HE MET 27 3HE MET 27 7.630 1.935 -2.270 207 HA PRO 28 HA PRO 28 8.247 -0.697 1.201 208 1HB PRO 28 2HB PRO 28 8.231 -0.331 3.906 209 2HB PRO 28 1HB PRO 28 9.203 0.664 2.802 210 1HG PRO 28 2HG PRO 28 6.600 1.266 4.107 211 2HG PRO 28 1HG PRO 28 7.983 2.326 3.808 212 1HD PRO 28 2HD PRO 28 5.719 2.345 2.293 213 2HD PRO 28 1HD PRO 28 7.317 2.807 1.663 214 H ARG 29 HN ARG 29 6.537 -2.217 0.570 215 HA ARG 29 HA ARG 29 4.285 -2.994 2.072 216 1HB ARG 29 2HB ARG 29 4.362 -5.006 0.739 217 2HB ARG 29 1HB ARG 29 4.958 -3.686 -0.269 218 1HG ARG 29 2HG ARG 29 6.696 -5.115 -0.662 219 2HG ARG 29 1HG ARG 29 7.275 -4.532 0.900 220 1HD ARG 29 2HD ARG 29 7.313 -6.863 1.231 221 2HD ARG 29 1HD ARG 29 5.701 -6.450 1.854 222 HE ARG 29 HE ARG 29 5.468 -6.870 -0.965 223 1HH1 ARG 29 1HH2 ARG 29 6.104 -8.622 1.960 224 2HH1 ARG 29 2HH2 ARG 29 5.558 -10.128 1.311 225 1HH2 ARG 29 1HH1 ARG 29 4.724 -8.832 -1.790 226 2HH2 ARG 29 2HH1 ARG 29 4.783 -10.248 -0.800 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 -13.251 -0.840 -4.189 2 2H GLY 1 2HT GLY 1 -11.796 -1.653 -4.517 3 3H GLY 1 3HT GLY 1 -12.668 -0.920 -5.777 4 1HA GLY 1 2HA GLY 1 -11.535 0.937 -5.519 5 2HA GLY 1 1HA GLY 1 -12.187 1.060 -3.884 6 H CYS 2 H CYS 2 -9.333 1.055 -5.478 7 HA CYS 2 HA CYS 2 -7.755 0.503 -3.088 8 1HB CYS 2 2HB CYS 2 -6.605 -1.499 -4.073 9 2HB CYS 2 1HB CYS 2 -8.317 -1.795 -3.769 10 H LYS 3 H LYS 3 -5.433 0.991 -3.508 11 HA LYS 3 HA LYS 3 -5.038 2.449 -6.107 12 1HB LYS 3 2HB LYS 3 -3.773 3.062 -3.419 13 2HB LYS 3 1HB LYS 3 -3.746 4.061 -4.866 14 1HG LYS 3 2HG LYS 3 -5.755 4.974 -4.408 15 2HG LYS 3 1HG LYS 3 -6.476 3.400 -4.071 16 1HD LYS 3 2HD LYS 3 -5.558 3.407 -1.823 17 2HD LYS 3 1HD LYS 3 -4.693 4.909 -2.139 18 1HE LYS 3 2HE LYS 3 -7.671 4.866 -2.543 19 2HE LYS 3 1HE LYS 3 -7.038 4.970 -0.889 20 1HZ LYS 3 1HZ LYS 3 -7.311 7.161 -2.049 21 2HZ LYS 3 2HZ LYS 3 -6.078 6.695 -3.116 22 3HZ LYS 3 3HZ LYS 3 -5.742 6.870 -1.455 23 H LEU 4 H LEU 4 -2.394 2.951 -6.041 24 HA LEU 4 HA LEU 4 -1.136 0.249 -6.183 25 1HB LEU 4 2HB LEU 4 -0.681 2.941 -7.492 26 2HB LEU 4 1HB LEU 4 0.507 1.654 -7.625 27 HG LEU 4 HG LEU 4 -0.863 1.480 -9.569 28 1HD1 LEU 4 1HD1 LEU 4 -1.621 -0.726 -9.412 29 2HD1 LEU 4 2HD1 LEU 4 -2.174 -0.521 -7.750 30 3HD1 LEU 4 3HD1 LEU 4 -0.448 -0.625 -8.098 31 1HD2 LEU 4 1HD2 LEU 4 -3.433 1.113 -8.147 32 2HD2 LEU 4 2HD2 LEU 4 -3.088 1.962 -9.654 33 3HD2 LEU 4 3HD2 LEU 4 -2.782 2.752 -8.109 34 H THR 5 H THR 5 1.418 2.262 -6.260 35 HA THR 5 HA THR 5 2.042 1.829 -3.406 36 HB THR 5 HB THR 5 4.049 3.129 -5.128 37 HG1 THR 5 1HG THR 5 3.301 0.493 -5.846 38 1HG2 THR 5 1HG2 THR 5 5.395 1.962 -3.770 39 2HG2 THR 5 2HG2 THR 5 4.649 0.436 -4.265 40 3HG2 THR 5 3HG2 THR 5 3.954 1.365 -2.944 41 H PHE 6 H PHE 6 2.964 4.569 -5.507 42 HA PHE 6 HA PHE 6 2.831 6.450 -3.319 43 1HB PHE 6 2HB PHE 6 3.141 6.766 -6.316 44 2HB PHE 6 1HB PHE 6 3.382 8.070 -5.153 45 HD1 PHE 6 1HD PHE 6 4.619 6.481 -2.904 46 HD2 PHE 6 2HD PHE 6 5.360 6.458 -7.135 47 HE1 PHE 6 1HE PHE 6 6.922 5.693 -2.498 48 HE2 PHE 6 2HE PHE 6 7.680 5.671 -6.719 49 HZ PHE 6 HZ PHE 6 8.453 5.288 -4.401 50 H TRP 7 H TRP 7 0.238 5.246 -3.667 51 HA TRP 7 HA TRP 7 -1.392 7.512 -4.727 52 1HB TRP 7 2HB TRP 7 -1.921 4.586 -4.133 53 2HB TRP 7 1HB TRP 7 -3.201 5.729 -4.534 54 HD1 TRP 7 HD TRP 7 0.295 5.146 -6.075 55 HE1 TRP 7 1HE TRP 7 0.021 4.915 -8.627 56 HE3 TRP 7 3HE TRP 7 -4.771 5.496 -6.428 57 HZ2 TRP 7 2HZ TRP 7 -2.087 4.873 -10.558 58 HZ3 TRP 7 3HZ TRP 7 -5.902 5.345 -8.638 59 HH2 TRP 7 HH TRP 7 -4.555 5.034 -10.700 60 H LYS 8 H LYS 8 -1.927 8.890 -3.048 61 HA LYS 8 HA LYS 8 -1.538 8.701 -0.346 62 1HB LYS 8 2HB LYS 8 -3.916 9.846 -1.848 63 2HB LYS 8 1HB LYS 8 -3.591 10.194 -0.151 64 1HG LYS 8 2HG LYS 8 -1.430 10.608 -2.205 65 2HG LYS 8 1HG LYS 8 -2.684 11.829 -1.988 66 1HD LYS 8 2HD LYS 8 -2.123 11.714 0.528 67 2HD LYS 8 1HD LYS 8 -0.673 10.837 0.041 68 1HE LYS 8 2HE LYS 8 0.087 13.071 0.074 69 2HE LYS 8 1HE LYS 8 -0.346 12.857 -1.633 70 1HZ LYS 8 1HZ LYS 8 -2.718 13.504 -0.546 71 2HZ LYS 8 2HZ LYS 8 -1.666 14.626 -1.261 72 3HZ LYS 8 3HZ LYS 8 -1.668 14.419 0.423 73 H CYS 9 H CYS 9 -1.844 6.753 0.692 74 HA CYS 9 HA CYS 9 -4.638 5.638 0.710 75 1HB CYS 9 2HB CYS 9 -3.587 3.814 -0.099 76 2HB CYS 9 1HB CYS 9 -2.004 4.539 0.160 77 H LYS 10 H LYS 10 -5.275 4.614 2.763 78 HA LYS 10 HA LYS 10 -3.957 5.896 5.134 79 1HB LYS 10 2HB LYS 10 -6.798 4.936 4.654 80 2HB LYS 10 1HB LYS 10 -6.224 5.701 6.137 81 1HG LYS 10 2HG LYS 10 -5.404 7.567 4.395 82 2HG LYS 10 1HG LYS 10 -6.747 6.912 3.456 83 1HD LYS 10 2HD LYS 10 -7.901 7.120 5.926 84 2HD LYS 10 1HD LYS 10 -6.786 8.487 5.965 85 1HE LYS 10 2HE LYS 10 -8.064 8.452 3.385 86 2HE LYS 10 1HE LYS 10 -9.315 8.348 4.639 87 1HZ LYS 10 1HZ LYS 10 -8.193 10.181 5.814 88 2HZ LYS 10 2HZ LYS 10 -8.746 10.652 4.283 89 3HZ LYS 10 3HZ LYS 10 -7.096 10.336 4.526 90 H ASN 11 H ASN 11 -5.145 2.826 3.782 91 HA ASN 11 HA ASN 11 -4.178 1.417 6.247 92 1HB ASN 11 2HB ASN 11 -6.637 1.389 5.549 93 2HB ASN 11 1HB ASN 11 -6.132 0.463 4.138 94 1HD2 ASN 11 1HD2 ASN 11 -7.289 0.082 7.232 95 2HD2 ASN 11 2HD2 ASN 11 -6.707 -1.481 7.539 96 H LYS 12 H LYS 12 -2.887 -0.481 5.908 97 HA LYS 12 HA LYS 12 -1.257 -0.460 3.498 98 1HB LYS 12 2HB LYS 12 0.018 -2.097 4.682 99 2HB LYS 12 1HB LYS 12 -0.582 -0.999 5.916 100 1HG LYS 12 2HG LYS 12 -2.458 -2.583 6.362 101 2HG LYS 12 1HG LYS 12 -1.764 -3.701 5.188 102 1HD LYS 12 2HD LYS 12 0.132 -2.734 7.242 103 2HD LYS 12 1HD LYS 12 -1.182 -3.729 7.869 104 1HE LYS 12 2HE LYS 12 -0.609 -5.559 6.381 105 2HE LYS 12 1HE LYS 12 0.570 -4.550 5.516 106 1HZ LYS 12 1HZ LYS 12 1.783 -5.786 7.115 107 2HZ LYS 12 2HZ LYS 12 0.676 -5.431 8.356 108 3HZ LYS 12 3HZ LYS 12 1.684 -4.211 7.728 109 H LYS 13 H LYS 13 -4.179 -2.150 4.448 110 HA LYS 13 HA LYS 13 -3.741 -4.209 2.348 111 1HB LYS 13 2HB LYS 13 -5.340 -5.445 3.498 112 2HB LYS 13 1HB LYS 13 -4.641 -4.496 4.805 113 1HG LYS 13 2HG LYS 13 -6.485 -2.824 4.519 114 2HG LYS 13 1HG LYS 13 -7.209 -3.877 3.304 115 1HD LYS 13 2HD LYS 13 -6.707 -5.552 5.505 116 2HD LYS 13 1HD LYS 13 -7.342 -4.062 6.201 117 1HE LYS 13 2HE LYS 13 -9.360 -4.199 4.912 118 2HE LYS 13 1HE LYS 13 -8.684 -5.463 3.865 119 1HZ LYS 13 1HZ LYS 13 -8.702 -5.934 6.766 120 2HZ LYS 13 2HZ LYS 13 -8.860 -7.048 5.492 121 3HZ LYS 13 3HZ LYS 13 -10.172 -6.070 5.935 122 H GLU 14 H GLU 14 -4.945 -1.091 2.349 123 HA GLU 14 HA GLU 14 -7.254 -1.661 0.603 124 1HB GLU 14 2HB GLU 14 -7.461 0.828 0.599 125 2HB GLU 14 1HB GLU 14 -7.453 0.129 2.218 126 1HG GLU 14 2HG GLU 14 -5.427 1.045 2.749 127 2HG GLU 14 1HG GLU 14 -4.805 0.897 1.105 128 H CYS 15 H CYS 15 -3.868 -1.184 0.178 129 HA CYS 15 HA CYS 15 -4.037 0.036 -2.484 130 1HB CYS 15 2HB CYS 15 -1.913 -1.237 -0.772 131 2HB CYS 15 1HB CYS 15 -1.577 -0.854 -2.460 132 H CYS 16 H CYS 16 -4.501 -1.095 -4.364 133 HA CYS 16 HA CYS 16 -5.254 -3.841 -4.401 134 1HB CYS 16 2HB CYS 16 -4.998 -1.616 -6.225 135 2HB CYS 16 1HB CYS 16 -4.407 -3.087 -6.999 136 H GLY 17 H GLY 17 -2.197 -2.333 -5.508 137 1HA GLY 17 2HA GLY 17 -0.992 -4.942 -6.052 138 2HA GLY 17 1HA GLY 17 -0.168 -3.381 -6.140 139 H TRP 18 H TRP 18 -1.520 -5.701 -3.804 140 HA TRP 18 HA TRP 18 -1.087 -5.330 -1.330 141 1HB TRP 18 2HB TRP 18 -0.033 -7.393 -3.072 142 2HB TRP 18 1HB TRP 18 1.005 -7.200 -1.662 143 HD1 TRP 18 HD TRP 18 -1.480 -6.272 0.276 144 HE1 TRP 18 1HE TRP 18 -3.022 -8.128 1.169 145 HE3 TRP 18 3HE TRP 18 -0.484 -9.977 -3.114 146 HZ2 TRP 18 2HZ TRP 18 -3.739 -10.830 0.536 147 HZ3 TRP 18 3HZ TRP 18 -1.612 -12.169 -2.934 148 HH2 TRP 18 HH TRP 18 -3.231 -12.598 -1.120 149 H ASN 19 H ASN 19 -0.144 -3.378 -0.684 150 HA ASN 19 HA ASN 19 2.844 -3.348 -0.571 151 1HB ASN 19 2HB ASN 19 2.017 -2.058 -2.533 152 2HB ASN 19 1HB ASN 19 1.014 -1.090 -1.454 153 1HD2 ASN 19 1HD2 ASN 19 4.233 -1.444 -2.737 154 2HD2 ASN 19 2HD2 ASN 19 4.934 -0.190 -1.836 155 H ALA 20 H ALA 20 3.544 -1.586 1.056 156 HA ALA 20 HA ALA 20 1.683 -1.656 3.383 157 1HB ALA 20 1HB ALA 20 3.660 -1.516 4.675 158 2HB ALA 20 2HB ALA 20 4.586 -0.845 3.332 159 3HB ALA 20 3HB ALA 20 4.106 -2.547 3.317 160 H CYS 21 H CYS 21 0.647 0.197 3.919 161 HA CYS 21 HA CYS 21 1.334 2.765 2.680 162 1HB CYS 21 2HB CYS 21 -0.966 1.592 3.614 163 2HB CYS 21 1HB CYS 21 -0.562 2.658 4.957 164 H ALA 22 H ALA 22 3.166 3.717 3.493 165 HA ALA 22 HA ALA 22 3.459 3.797 6.486 166 1HB ALA 22 1HB ALA 22 5.421 3.260 4.252 167 2HB ALA 22 2HB ALA 22 5.057 2.243 5.648 168 3HB ALA 22 3HB ALA 22 5.972 3.737 5.858 169 H LEU 23 H LEU 23 5.277 5.310 3.811 170 HA LEU 23 HA LEU 23 5.494 7.835 5.227 171 1HB LEU 23 2HB LEU 23 6.194 6.784 2.478 172 2HB LEU 23 1HB LEU 23 6.482 8.464 2.909 173 HG LEU 23 HG LEU 23 8.256 7.950 4.269 174 1HD1 LEU 23 1HD1 LEU 23 6.761 6.669 5.875 175 2HD1 LEU 23 2HD1 LEU 23 8.413 6.066 5.763 176 3HD1 LEU 23 3HD1 LEU 23 7.110 5.221 4.930 177 1HD2 LEU 23 1HD2 LEU 23 8.400 5.196 3.138 178 2HD2 LEU 23 2HD2 LEU 23 9.619 6.473 3.155 179 3HD2 LEU 23 3HD2 LEU 23 8.303 6.526 1.982 180 H GLY 24 H GLY 24 2.794 7.535 5.162 181 1HA GLY 24 2HA GLY 24 0.853 8.743 4.600 182 2HA GLY 24 1HA GLY 24 1.867 9.819 3.642 183 H ILE 25 H ILE 25 2.497 6.695 2.608 184 HA ILE 25 HA ILE 25 0.233 6.449 0.720 185 HB ILE 25 HB ILE 25 2.811 6.383 -0.670 186 1HG1 ILE 25 2HG1 ILE 25 1.918 9.027 0.524 187 2HG1 ILE 25 1HG1 ILE 25 3.438 8.198 0.851 188 1HG2 ILE 25 1HG2 ILE 25 0.319 8.021 -1.143 189 2HG2 ILE 25 2HG2 ILE 25 0.599 6.392 -1.757 190 3HG2 ILE 25 3HG2 ILE 25 1.615 7.726 -2.303 191 1HD1 ILE 25 1HD1 ILE 25 2.591 9.727 -1.556 192 2HD1 ILE 25 2HD1 ILE 25 3.607 8.311 -1.822 193 3HD1 ILE 25 3HD1 ILE 25 4.176 9.624 -0.791 194 H CYS 26 H CYS 26 1.078 4.506 -0.914 195 HA CYS 26 HA CYS 26 1.912 2.318 0.920 196 1HB CYS 26 2HB CYS 26 0.555 2.626 -1.703 197 2HB CYS 26 1HB CYS 26 1.603 1.216 -1.580 198 H MET 27 H MET 27 4.094 1.802 1.067 199 HA MET 27 HA MET 27 5.786 2.262 -1.343 200 1HB MET 27 2HB MET 27 5.956 3.607 1.332 201 2HB MET 27 1HB MET 27 7.414 3.403 0.370 202 1HG MET 27 2HG MET 27 5.903 4.418 -1.549 203 2HG MET 27 1HG MET 27 4.960 5.028 -0.192 204 1HE MET 27 1HE MET 27 5.529 7.608 -1.015 205 2HE MET 27 2HE MET 27 6.471 8.241 0.333 206 3HE MET 27 3HE MET 27 5.185 7.077 0.637 207 HA PRO 28 HA PRO 28 8.522 -0.465 1.380 208 1HB PRO 28 2HB PRO 28 8.120 -0.614 4.079 209 2HB PRO 28 1HB PRO 28 9.083 0.671 3.321 210 1HG PRO 28 2HG PRO 28 6.272 0.744 4.295 211 2HG PRO 28 1HG PRO 28 7.542 1.971 4.412 212 1HD PRO 28 2HD PRO 28 5.533 2.062 2.575 213 2HD PRO 28 1HD PRO 28 7.136 2.784 2.315 214 H ARG 29 HN ARG 29 6.656 -1.697 0.139 215 HA ARG 29 HA ARG 29 4.578 -3.105 1.442 216 1HB ARG 29 2HB ARG 29 4.782 -4.630 -0.539 217 2HB ARG 29 1HB ARG 29 4.774 -2.923 -0.973 218 1HG ARG 29 2HG ARG 29 7.486 -3.857 -0.441 219 2HG ARG 29 1HG ARG 29 6.714 -4.816 -1.703 220 1HD ARG 29 2HD ARG 29 6.511 -2.993 -3.146 221 2HD ARG 29 1HD ARG 29 6.455 -1.826 -1.808 222 HE ARG 29 HE ARG 29 8.813 -1.806 -1.764 223 1HH1 ARG 29 1HH2 ARG 29 7.623 -4.540 -3.531 224 2HH1 ARG 29 2HH2 ARG 29 9.193 -5.055 -4.038 225 1HH2 ARG 29 1HH1 ARG 29 10.870 -2.489 -2.419 226 2HH2 ARG 29 2HH1 ARG 29 11.030 -3.900 -3.410 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 -13.431 0.731 -4.307 2 2H GLY 1 2HT GLY 1 -12.478 -0.133 -3.199 3 3H GLY 1 3HT GLY 1 -13.315 -0.954 -4.426 4 1HA GLY 1 2HA GLY 1 -11.596 -0.771 -5.779 5 2HA GLY 1 1HA GLY 1 -11.702 0.982 -5.641 6 H CYS 2 H CYS 2 -9.273 0.771 -5.789 7 HA CYS 2 HA CYS 2 -8.086 0.951 -3.125 8 1HB CYS 2 2HB CYS 2 -6.487 -0.966 -3.583 9 2HB CYS 2 1HB CYS 2 -8.152 -1.467 -3.311 10 H LYS 3 H LYS 3 -5.555 1.260 -3.431 11 HA LYS 3 HA LYS 3 -5.128 2.739 -6.008 12 1HB LYS 3 2HB LYS 3 -3.870 3.281 -3.298 13 2HB LYS 3 1HB LYS 3 -3.792 4.291 -4.734 14 1HG LYS 3 2HG LYS 3 -6.334 4.442 -4.631 15 2HG LYS 3 1HG LYS 3 -6.216 3.732 -3.021 16 1HD LYS 3 2HD LYS 3 -4.692 5.570 -2.342 17 2HD LYS 3 1HD LYS 3 -4.885 6.300 -3.936 18 1HE LYS 3 2HE LYS 3 -7.332 6.495 -3.538 19 2HE LYS 3 1HE LYS 3 -7.106 5.823 -1.911 20 1HZ LYS 3 1HZ LYS 3 -7.036 8.252 -1.878 21 2HZ LYS 3 2HZ LYS 3 -5.752 8.249 -2.982 22 3HZ LYS 3 3HZ LYS 3 -5.531 7.604 -1.420 23 H LEU 4 H LEU 4 -2.592 3.078 -6.285 24 HA LEU 4 HA LEU 4 -1.392 0.369 -6.362 25 1HB LEU 4 2HB LEU 4 -0.938 3.049 -7.658 26 2HB LEU 4 1HB LEU 4 0.324 1.833 -7.750 27 HG LEU 4 HG LEU 4 -0.918 0.432 -9.105 28 1HD1 LEU 4 1HD1 LEU 4 -3.457 1.769 -8.116 29 2HD1 LEU 4 2HD1 LEU 4 -2.850 0.211 -7.556 30 3HD1 LEU 4 3HD1 LEU 4 -3.375 0.406 -9.228 31 1HD2 LEU 4 1HD2 LEU 4 -1.800 1.759 -10.879 32 2HD2 LEU 4 2HD2 LEU 4 -0.615 2.796 -10.083 33 3HD2 LEU 4 3HD2 LEU 4 -2.333 3.020 -9.762 34 H THR 5 H THR 5 1.306 2.145 -6.371 35 HA THR 5 HA THR 5 1.871 1.610 -3.529 36 HB THR 5 HB THR 5 3.633 2.554 -5.814 37 HG1 THR 5 1HG THR 5 3.175 -0.091 -4.854 38 1HG2 THR 5 1HG2 THR 5 5.431 1.473 -4.402 39 2HG2 THR 5 2HG2 THR 5 4.236 1.337 -3.115 40 3HG2 THR 5 3HG2 THR 5 4.712 2.928 -3.695 41 H PHE 6 H PHE 6 2.914 4.354 -5.600 42 HA PHE 6 HA PHE 6 3.015 6.169 -3.349 43 1HB PHE 6 2HB PHE 6 3.750 6.074 -6.171 44 2HB PHE 6 1HB PHE 6 3.144 7.667 -5.711 45 HD1 PHE 6 1HD PHE 6 4.978 9.058 -5.376 46 HD2 PHE 6 2HD PHE 6 5.057 5.076 -3.761 47 HE1 PHE 6 1HE PHE 6 7.116 9.556 -4.259 48 HE2 PHE 6 2HE PHE 6 7.199 5.573 -2.637 49 HZ PHE 6 HZ PHE 6 8.243 7.819 -2.882 50 H TRP 7 H TRP 7 0.308 5.145 -3.633 51 HA TRP 7 HA TRP 7 -1.189 7.558 -4.543 52 1HB TRP 7 2HB TRP 7 -1.886 4.649 -4.060 53 2HB TRP 7 1HB TRP 7 -3.113 5.884 -4.320 54 HD1 TRP 7 HD TRP 7 0.260 5.234 -6.091 55 HE1 TRP 7 1HE TRP 7 -0.179 5.149 -8.621 56 HE3 TRP 7 3HE TRP 7 -4.823 5.806 -6.125 57 HZ2 TRP 7 2HZ TRP 7 -2.390 5.295 -10.432 58 HZ3 TRP 7 3HZ TRP 7 -6.065 5.822 -8.268 59 HH2 TRP 7 HH TRP 7 -4.859 5.566 -10.419 60 H LYS 8 H LYS 8 -1.893 8.885 -2.892 61 HA LYS 8 HA LYS 8 -1.326 8.633 -0.188 62 1HB LYS 8 2HB LYS 8 -2.061 10.700 -1.053 63 2HB LYS 8 1HB LYS 8 -3.496 9.989 -1.785 64 1HG LYS 8 2HG LYS 8 -3.620 9.509 1.032 65 2HG LYS 8 1HG LYS 8 -3.252 11.217 0.784 66 1HD LYS 8 2HD LYS 8 -5.222 10.386 -1.146 67 2HD LYS 8 1HD LYS 8 -5.767 9.923 0.468 68 1HE LYS 8 2HE LYS 8 -6.345 12.081 0.878 69 2HE LYS 8 1HE LYS 8 -4.653 12.562 0.651 70 1HZ LYS 8 1HZ LYS 8 -5.082 12.437 -1.795 71 2HZ LYS 8 2HZ LYS 8 -5.922 13.681 -1.008 72 3HZ LYS 8 3HZ LYS 8 -6.734 12.258 -1.456 73 H CYS 9 H CYS 9 -1.728 6.610 0.750 74 HA CYS 9 HA CYS 9 -4.590 5.671 0.732 75 1HB CYS 9 2HB CYS 9 -3.512 3.439 1.282 76 2HB CYS 9 1HB CYS 9 -3.123 4.076 -0.308 77 H LYS 10 H LYS 10 -4.944 4.147 2.796 78 HA LYS 10 HA LYS 10 -3.972 5.645 5.232 79 1HB LYS 10 2HB LYS 10 -6.642 4.458 4.426 80 2HB LYS 10 1HB LYS 10 -6.280 4.861 6.105 81 1HG LYS 10 2HG LYS 10 -7.189 6.874 5.466 82 2HG LYS 10 1HG LYS 10 -5.525 7.173 4.971 83 1HD LYS 10 2HD LYS 10 -6.271 7.508 2.873 84 2HD LYS 10 1HD LYS 10 -6.723 5.803 2.811 85 1HE LYS 10 2HE LYS 10 -8.536 7.910 4.035 86 2HE LYS 10 1HE LYS 10 -8.625 7.448 2.324 87 1HZ LYS 10 1HZ LYS 10 -8.771 5.092 3.088 88 2HZ LYS 10 2HZ LYS 10 -10.108 6.045 3.522 89 3HZ LYS 10 3HZ LYS 10 -8.928 5.661 4.681 90 H ASN 11 H ASN 11 -5.260 2.515 4.048 91 HA ASN 11 HA ASN 11 -3.797 1.128 6.254 92 1HB ASN 11 2HB ASN 11 -6.033 0.533 6.417 93 2HB ASN 11 1HB ASN 11 -6.307 0.705 4.686 94 1HD2 ASN 11 1HD2 ASN 11 -7.022 -1.344 4.077 95 2HD2 ASN 11 2HD2 ASN 11 -6.205 -2.791 4.396 96 H LYS 12 H LYS 12 -2.499 -0.725 5.670 97 HA LYS 12 HA LYS 12 -1.070 -0.512 3.175 98 1HB LYS 12 2HB LYS 12 0.055 -2.577 4.054 99 2HB LYS 12 1HB LYS 12 0.009 -1.264 5.218 100 1HG LYS 12 2HG LYS 12 -1.763 -2.296 6.451 101 2HG LYS 12 1HG LYS 12 -2.075 -3.461 5.163 102 1HD LYS 12 2HD LYS 12 -0.632 -4.882 6.135 103 2HD LYS 12 1HD LYS 12 0.668 -3.733 5.824 104 1HE LYS 12 2HE LYS 12 -0.810 -2.791 8.099 105 2HE LYS 12 1HE LYS 12 -0.421 -4.502 8.359 106 1HZ LYS 12 1HZ LYS 12 1.873 -3.933 7.528 107 2HZ LYS 12 2HZ LYS 12 1.471 -3.304 9.052 108 3HZ LYS 12 3HZ LYS 12 1.451 -2.298 7.686 109 H LYS 13 H LYS 13 -3.604 -2.745 4.338 110 HA LYS 13 HA LYS 13 -3.486 -4.348 1.879 111 1HB LYS 13 2HB LYS 13 -4.964 -4.325 4.463 112 2HB LYS 13 1HB LYS 13 -5.788 -5.087 3.101 113 1HG LYS 13 2HG LYS 13 -4.022 -6.653 2.769 114 2HG LYS 13 1HG LYS 13 -2.918 -5.748 3.806 115 1HD LYS 13 2HD LYS 13 -3.755 -6.680 5.704 116 2HD LYS 13 1HD LYS 13 -5.421 -6.565 5.133 117 1HE LYS 13 2HE LYS 13 -5.418 -8.739 4.475 118 2HE LYS 13 1HE LYS 13 -3.910 -8.516 3.565 119 1HZ LYS 13 1HZ LYS 13 -3.741 -10.053 5.516 120 2HZ LYS 13 2HZ LYS 13 -4.018 -8.720 6.527 121 3HZ LYS 13 3HZ LYS 13 -2.634 -8.769 5.538 122 H GLU 14 H GLU 14 -4.518 -1.271 2.321 123 HA GLU 14 HA GLU 14 -7.127 -1.335 0.984 124 1HB GLU 14 2HB GLU 14 -6.624 0.357 2.647 125 2HB GLU 14 1HB GLU 14 -5.149 0.822 1.799 126 1HG GLU 14 2HG GLU 14 -6.416 1.692 -0.068 127 2HG GLU 14 1HG GLU 14 -7.906 1.029 0.595 128 H CYS 15 H CYS 15 -3.756 -1.009 0.053 129 HA CYS 15 HA CYS 15 -4.279 0.135 -2.577 130 1HB CYS 15 2HB CYS 15 -1.911 -1.191 -1.214 131 2HB CYS 15 1HB CYS 15 -1.823 -0.600 -2.875 132 H CYS 16 H CYS 16 -4.190 -1.001 -4.621 133 HA CYS 16 HA CYS 16 -5.366 -3.638 -4.657 134 1HB CYS 16 2HB CYS 16 -3.777 -2.404 -6.914 135 2HB CYS 16 1HB CYS 16 -5.209 -3.423 -7.017 136 H GLY 17 H GLY 17 -2.096 -2.653 -5.762 137 1HA GLY 17 2HA GLY 17 -1.140 -5.418 -5.595 138 2HA GLY 17 1HA GLY 17 -0.155 -4.004 -5.996 139 H TRP 18 H TRP 18 -1.155 -6.117 -3.486 140 HA TRP 18 HA TRP 18 -1.057 -5.107 -1.046 141 1HB TRP 18 2HB TRP 18 0.692 -7.247 -2.230 142 2HB TRP 18 1HB TRP 18 0.730 -6.912 -0.498 143 HD1 TRP 18 HD TRP 18 -2.204 -6.415 0.218 144 HE1 TRP 18 1HE TRP 18 -4.008 -8.251 -0.022 145 HE3 TRP 18 3HE TRP 18 0.095 -9.475 -3.181 146 HZ2 TRP 18 2HZ TRP 18 -4.407 -10.689 -1.461 147 HZ3 TRP 18 3HZ TRP 18 -1.024 -11.547 -3.970 148 HH2 TRP 18 HH TRP 18 -3.268 -12.153 -3.115 149 H ASN 19 H ASN 19 -0.257 -3.060 -0.746 150 HA ASN 19 HA ASN 19 2.724 -2.756 -0.677 151 1HB ASN 19 2HB ASN 19 0.933 -1.598 -2.455 152 2HB ASN 19 1HB ASN 19 1.129 -0.351 -1.233 153 1HD2 ASN 19 1HD2 ASN 19 3.755 -0.368 -0.554 154 2HD2 ASN 19 2HD2 ASN 19 4.758 -0.196 -1.910 155 H ALA 20 H ALA 20 3.439 -1.796 1.254 156 HA ALA 20 HA ALA 20 1.496 -1.468 3.412 157 1HB ALA 20 1HB ALA 20 3.850 -0.590 4.413 158 2HB ALA 20 2HB ALA 20 4.428 -1.460 2.995 159 3HB ALA 20 3HB ALA 20 3.475 -2.305 4.211 160 H CYS 21 H CYS 21 0.434 0.405 3.869 161 HA CYS 21 HA CYS 21 1.152 2.940 2.567 162 1HB CYS 21 2HB CYS 21 -1.183 1.908 3.210 163 2HB CYS 21 1HB CYS 21 -0.836 2.578 4.806 164 H ALA 22 H ALA 22 3.143 3.659 3.442 165 HA ALA 22 HA ALA 22 3.281 3.903 6.430 166 1HB ALA 22 1HB ALA 22 4.879 2.325 5.632 167 2HB ALA 22 2HB ALA 22 5.791 3.805 5.924 168 3HB ALA 22 3HB ALA 22 5.336 3.363 4.276 169 H LEU 23 H LEU 23 5.261 5.379 3.867 170 HA LEU 23 HA LEU 23 5.367 7.928 5.246 171 1HB LEU 23 2HB LEU 23 6.253 6.796 2.589 172 2HB LEU 23 1HB LEU 23 6.475 8.503 2.948 173 HG LEU 23 HG LEU 23 8.135 8.108 4.486 174 1HD1 LEU 23 1HD1 LEU 23 6.625 6.815 6.015 175 2HD1 LEU 23 2HD1 LEU 23 8.274 6.195 5.974 176 3HD1 LEU 23 3HD1 LEU 23 7.000 5.361 5.088 177 1HD2 LEU 23 1HD2 LEU 23 8.481 5.360 3.380 178 2HD2 LEU 23 2HD2 LEU 23 9.649 6.675 3.520 179 3HD2 LEU 23 3HD2 LEU 23 8.449 6.698 2.230 180 H GLY 24 H GLY 24 2.662 7.615 4.999 181 1HA GLY 24 2HA GLY 24 0.782 8.845 4.285 182 2HA GLY 24 1HA GLY 24 1.873 9.876 3.361 183 H ILE 25 H ILE 25 2.548 6.729 2.490 184 HA ILE 25 HA ILE 25 0.389 6.468 0.483 185 HB ILE 25 HB ILE 25 2.868 6.120 -0.874 186 1HG1 ILE 25 2HG1 ILE 25 2.610 8.823 0.468 187 2HG1 ILE 25 1HG1 ILE 25 3.888 7.641 0.754 188 1HG2 ILE 25 1HG2 ILE 25 0.755 8.255 -1.155 189 2HG2 ILE 25 2HG2 ILE 25 0.735 6.663 -1.913 190 3HG2 ILE 25 3HG2 ILE 25 1.970 7.833 -2.365 191 1HD1 ILE 25 1HD1 ILE 25 3.290 8.932 -1.919 192 2HD1 ILE 25 2HD1 ILE 25 4.607 7.811 -1.574 193 3HD1 ILE 25 3HD1 ILE 25 4.596 9.410 -0.832 194 H CYS 26 H CYS 26 1.086 4.419 -0.990 195 HA CYS 26 HA CYS 26 1.731 2.234 0.907 196 1HB CYS 26 2HB CYS 26 0.443 2.660 -1.709 197 2HB CYS 26 1HB CYS 26 1.432 1.206 -1.658 198 H MET 27 H MET 27 3.952 1.822 1.216 199 HA MET 27 HA MET 27 5.669 1.960 -1.220 200 1HB MET 27 2HB MET 27 5.863 3.561 1.318 201 2HB MET 27 1HB MET 27 7.294 3.271 0.339 202 1HG MET 27 2HG MET 27 6.045 4.231 -1.629 203 2HG MET 27 1HG MET 27 4.729 4.632 -0.529 204 1HE MET 27 1HE MET 27 8.808 5.158 0.522 205 2HE MET 27 2HE MET 27 8.917 6.191 -0.901 206 3HE MET 27 3HE MET 27 8.322 4.540 -1.062 207 HA PRO 28 HA PRO 28 8.449 -0.499 1.699 208 1HB PRO 28 2HB PRO 28 8.174 -0.307 4.403 209 2HB PRO 28 1HB PRO 28 9.121 0.846 3.439 210 1HG PRO 28 2HG PRO 28 6.368 1.106 4.528 211 2HG PRO 28 1HG PRO 28 7.661 2.307 4.431 212 1HD PRO 28 2HD PRO 28 5.564 2.233 2.694 213 2HD PRO 28 1HD PRO 28 7.171 2.865 2.270 214 H ARG 29 HN ARG 29 6.777 -2.028 0.751 215 HA ARG 29 HA ARG 29 4.581 -3.182 2.053 216 1HB ARG 29 2HB ARG 29 6.708 -4.496 0.330 217 2HB ARG 29 1HB ARG 29 5.104 -5.163 0.615 218 1HG ARG 29 2HG ARG 29 4.182 -3.817 -0.952 219 2HG ARG 29 1HG ARG 29 4.980 -2.388 -0.291 220 1HD ARG 29 2HD ARG 29 6.233 -2.437 -2.205 221 2HD ARG 29 1HD ARG 29 7.083 -3.792 -1.435 222 HE ARG 29 HE ARG 29 4.697 -4.827 -2.588 223 1HH1 ARG 29 1HH2 ARG 29 7.708 -3.374 -3.556 224 2HH1 ARG 29 2HH2 ARG 29 7.759 -4.194 -5.076 225 1HH2 ARG 29 1HH1 ARG 29 4.750 -5.870 -4.579 226 2HH2 ARG 29 2HH1 ARG 29 6.080 -5.609 -5.653 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 -12.371 1.122 -2.559 2 2H GLY 1 2HT GLY 1 -12.174 -0.550 -2.360 3 3H GLY 1 3HT GLY 1 -13.467 0.047 -3.279 4 1HA GLY 1 2HA GLY 1 -11.971 -0.637 -4.895 5 2HA GLY 1 1HA GLY 1 -11.684 1.102 -4.754 6 H CYS 2 H CYS 2 -9.448 0.722 -5.490 7 HA CYS 2 HA CYS 2 -7.642 0.156 -3.227 8 1HB CYS 2 2HB CYS 2 -6.581 -1.734 -4.258 9 2HB CYS 2 1HB CYS 2 -8.311 -2.039 -4.368 10 H LYS 3 H LYS 3 -5.453 0.882 -3.676 11 HA LYS 3 HA LYS 3 -5.183 2.553 -6.162 12 1HB LYS 3 2HB LYS 3 -3.972 3.077 -3.423 13 2HB LYS 3 1HB LYS 3 -3.937 4.140 -4.819 14 1HG LYS 3 2HG LYS 3 -6.194 4.689 -4.656 15 2HG LYS 3 1HG LYS 3 -6.587 3.220 -3.764 16 1HD LYS 3 2HD LYS 3 -5.640 4.059 -1.745 17 2HD LYS 3 1HD LYS 3 -4.808 5.367 -2.590 18 1HE LYS 3 2HE LYS 3 -6.912 6.486 -3.069 19 2HE LYS 3 1HE LYS 3 -7.836 5.111 -2.438 20 1HZ LYS 3 1HZ LYS 3 -7.610 6.806 -0.742 21 2HZ LYS 3 2HZ LYS 3 -5.915 6.790 -0.890 22 3HZ LYS 3 3HZ LYS 3 -6.736 5.420 -0.282 23 H LEU 4 H LEU 4 -2.598 3.113 -6.273 24 HA LEU 4 HA LEU 4 -1.286 0.461 -6.533 25 1HB LEU 4 2HB LEU 4 -0.854 3.239 -7.633 26 2HB LEU 4 1HB LEU 4 0.367 1.993 -7.837 27 HG LEU 4 HG LEU 4 -1.033 1.986 -9.802 28 1HD1 LEU 4 1HD1 LEU 4 -2.044 -0.327 -8.162 29 2HD1 LEU 4 2HD1 LEU 4 -0.344 -0.207 -8.613 30 3HD1 LEU 4 3HD1 LEU 4 -1.583 -0.301 -9.865 31 1HD2 LEU 4 1HD2 LEU 4 -3.454 1.327 -8.150 32 2HD2 LEU 4 2HD2 LEU 4 -3.369 1.979 -9.786 33 3HD2 LEU 4 3HD2 LEU 4 -3.002 3.011 -8.404 34 H THR 5 H THR 5 1.277 2.435 -6.438 35 HA THR 5 HA THR 5 1.890 1.734 -3.639 36 HB THR 5 HB THR 5 3.872 3.132 -5.364 37 HG1 THR 5 1HG THR 5 2.763 0.593 -6.030 38 1HG2 THR 5 1HG2 THR 5 5.354 1.786 -4.265 39 2HG2 THR 5 2HG2 THR 5 4.270 0.392 -4.289 40 3HG2 THR 5 3HG2 THR 5 4.037 1.679 -3.105 41 H PHE 6 H PHE 6 2.937 4.679 -5.386 42 HA PHE 6 HA PHE 6 2.713 6.268 -2.983 43 1HB PHE 6 2HB PHE 6 3.563 6.596 -5.806 44 2HB PHE 6 1HB PHE 6 3.045 8.072 -4.997 45 HD1 PHE 6 1HD PHE 6 3.914 7.253 -2.145 46 HD2 PHE 6 2HD PHE 6 5.908 7.059 -5.946 47 HE1 PHE 6 1HE PHE 6 6.118 7.362 -1.003 48 HE2 PHE 6 2HE PHE 6 8.099 7.182 -4.802 49 HZ PHE 6 HZ PHE 6 8.197 7.337 -2.337 50 H TRP 7 H TRP 7 0.118 5.172 -3.587 51 HA TRP 7 HA TRP 7 -1.432 7.545 -4.523 52 1HB TRP 7 2HB TRP 7 -2.031 4.595 -4.112 53 2HB TRP 7 1HB TRP 7 -3.285 5.781 -4.467 54 HD1 TRP 7 HD TRP 7 0.247 5.302 -5.978 55 HE1 TRP 7 1HE TRP 7 0.004 5.255 -8.542 56 HE3 TRP 7 3HE TRP 7 -4.832 5.616 -6.397 57 HZ2 TRP 7 2HZ TRP 7 -2.079 5.327 -10.508 58 HZ3 TRP 7 3HZ TRP 7 -5.914 5.626 -8.620 59 HH2 TRP 7 HH TRP 7 -4.552 5.477 -10.669 60 H LYS 8 H LYS 8 -1.866 8.871 -2.761 61 HA LYS 8 HA LYS 8 -1.614 8.608 -0.089 62 1HB LYS 8 2HB LYS 8 -3.646 9.904 -1.838 63 2HB LYS 8 1HB LYS 8 -4.072 9.799 -0.130 64 1HG LYS 8 2HG LYS 8 -2.904 11.804 -0.133 65 2HG LYS 8 1HG LYS 8 -1.591 10.677 0.210 66 1HD LYS 8 2HD LYS 8 -0.575 11.081 -1.769 67 2HD LYS 8 1HD LYS 8 -2.092 10.992 -2.662 68 1HE LYS 8 2HE LYS 8 -1.436 13.403 -0.949 69 2HE LYS 8 1HE LYS 8 -0.885 13.293 -2.629 70 1HZ LYS 8 1HZ LYS 8 -3.099 13.034 -3.390 71 2HZ LYS 8 2HZ LYS 8 -3.140 14.334 -2.304 72 3HZ LYS 8 3HZ LYS 8 -3.705 12.807 -1.826 73 H CYS 9 H CYS 9 -1.886 6.635 0.912 74 HA CYS 9 HA CYS 9 -4.579 5.332 0.677 75 1HB CYS 9 2HB CYS 9 -3.290 3.561 0.142 76 2HB CYS 9 1HB CYS 9 -1.828 4.457 0.536 77 H LYS 10 H LYS 10 -5.486 4.362 2.594 78 HA LYS 10 HA LYS 10 -4.827 5.843 5.099 79 1HB LYS 10 2HB LYS 10 -7.180 5.196 3.703 80 2HB LYS 10 1HB LYS 10 -7.183 4.120 5.101 81 1HG LYS 10 2HG LYS 10 -6.522 7.030 5.471 82 2HG LYS 10 1HG LYS 10 -8.208 6.528 5.329 83 1HD LYS 10 2HD LYS 10 -7.688 4.791 7.147 84 2HD LYS 10 1HD LYS 10 -6.186 5.677 7.412 85 1HE LYS 10 2HE LYS 10 -8.924 7.000 7.498 86 2HE LYS 10 1HE LYS 10 -8.078 6.397 8.938 87 1HZ LYS 10 1HZ LYS 10 -7.469 8.679 8.631 88 2HZ LYS 10 2HZ LYS 10 -7.075 8.424 7.002 89 3HZ LYS 10 3HZ LYS 10 -6.128 7.730 8.228 90 H ASN 11 H ASN 11 -5.608 2.521 3.963 91 HA ASN 11 HA ASN 11 -4.028 1.478 6.292 92 1HB ASN 11 2HB ASN 11 -5.857 0.268 6.820 93 2HB ASN 11 1HB ASN 11 -6.734 1.093 5.538 94 1HD2 ASN 11 1HD2 ASN 11 -7.153 -0.076 3.605 95 2HD2 ASN 11 2HD2 ASN 11 -6.750 -1.707 3.402 96 H LYS 12 H LYS 12 -2.742 -0.447 5.809 97 HA LYS 12 HA LYS 12 -1.305 -0.327 3.373 98 1HB LYS 12 2HB LYS 12 -0.186 -2.284 4.232 99 2HB LYS 12 1HB LYS 12 -0.592 -1.258 5.599 100 1HG LYS 12 2HG LYS 12 -2.824 -2.795 5.502 101 2HG LYS 12 1HG LYS 12 -1.641 -3.937 4.860 102 1HD LYS 12 2HD LYS 12 -0.169 -3.235 6.881 103 2HD LYS 12 1HD LYS 12 -1.656 -2.559 7.550 104 1HE LYS 12 2HE LYS 12 -2.733 -4.848 7.173 105 2HE LYS 12 1HE LYS 12 -1.099 -5.461 6.845 106 1HZ LYS 12 1HZ LYS 12 -1.752 -5.623 9.225 107 2HZ LYS 12 2HZ LYS 12 -1.851 -3.932 9.288 108 3HZ LYS 12 3HZ LYS 12 -0.361 -4.687 8.979 109 H LYS 13 H LYS 13 -4.120 -2.371 4.211 110 HA LYS 13 HA LYS 13 -3.884 -3.989 1.778 111 1HB LYS 13 2HB LYS 13 -5.299 -4.055 4.227 112 2HB LYS 13 1HB LYS 13 -6.528 -3.942 2.969 113 1HG LYS 13 2HG LYS 13 -6.042 -6.004 2.106 114 2HG LYS 13 1HG LYS 13 -4.316 -5.852 2.438 115 1HD LYS 13 2HD LYS 13 -4.722 -7.328 4.123 116 2HD LYS 13 1HD LYS 13 -5.349 -5.923 4.978 117 1HE LYS 13 2HE LYS 13 -7.155 -7.418 5.165 118 2HE LYS 13 1HE LYS 13 -7.599 -6.529 3.696 119 1HZ LYS 13 1HZ LYS 13 -7.486 -9.127 3.671 120 2HZ LYS 13 2HZ LYS 13 -5.823 -8.867 3.457 121 3HZ LYS 13 3HZ LYS 13 -6.941 -8.239 2.341 122 H GLU 14 H GLU 14 -4.680 -0.773 2.093 123 HA GLU 14 HA GLU 14 -7.069 -0.585 0.466 124 1HB GLU 14 2HB GLU 14 -6.289 1.113 2.104 125 2HB GLU 14 1HB GLU 14 -4.860 1.405 1.110 126 1HG GLU 14 2HG GLU 14 -6.093 2.396 -0.601 127 2HG GLU 14 1HG GLU 14 -7.590 1.611 -0.109 128 H CYS 15 H CYS 15 -3.586 -0.648 -0.202 129 HA CYS 15 HA CYS 15 -3.873 0.202 -2.992 130 1HB CYS 15 2HB CYS 15 -1.619 -1.147 -1.467 131 2HB CYS 15 1HB CYS 15 -1.461 -0.374 -3.046 132 H CYS 16 H CYS 16 -4.327 -1.133 -4.727 133 HA CYS 16 HA CYS 16 -5.344 -3.750 -4.523 134 1HB CYS 16 2HB CYS 16 -4.446 -1.904 -6.582 135 2HB CYS 16 1HB CYS 16 -4.040 -3.563 -7.021 136 H GLY 17 H GLY 17 -2.029 -2.900 -5.610 137 1HA GLY 17 2HA GLY 17 -1.112 -5.647 -5.219 138 2HA GLY 17 1HA GLY 17 -0.080 -4.257 -5.597 139 H TRP 18 H TRP 18 -1.244 -6.271 -3.086 140 HA TRP 18 HA TRP 18 -1.354 -4.907 -0.736 141 1HB TRP 18 2HB TRP 18 0.130 -7.434 -1.450 142 2HB TRP 18 1HB TRP 18 -0.065 -6.912 0.224 143 HD1 TRP 18 HD TRP 18 -3.019 -5.710 -0.089 144 HE1 TRP 18 1HE TRP 18 -5.014 -7.326 -0.324 145 HE3 TRP 18 3HE TRP 18 -0.574 -9.904 -1.671 146 HZ2 TRP 18 2HZ TRP 18 -5.510 -10.035 -1.080 147 HZ3 TRP 18 3HZ TRP 18 -1.831 -11.989 -2.145 148 HH2 TRP 18 HH TRP 18 -4.295 -12.058 -1.851 149 H ASN 19 H ASN 19 -0.201 -2.966 -0.836 150 HA ASN 19 HA ASN 19 2.791 -3.060 -0.712 151 1HB ASN 19 2HB ASN 19 0.764 -1.371 -1.872 152 2HB ASN 19 1HB ASN 19 1.660 -0.427 -0.695 153 1HD2 ASN 19 1HD2 ASN 19 4.151 -0.615 -0.954 154 2HD2 ASN 19 2HD2 ASN 19 4.757 -0.719 -2.523 155 H ALA 20 H ALA 20 3.603 -1.238 0.906 156 HA ALA 20 HA ALA 20 2.118 -1.570 3.488 157 1HB ALA 20 1HB ALA 20 4.413 -0.886 4.403 158 2HB ALA 20 2HB ALA 20 5.000 -0.978 2.743 159 3HB ALA 20 3HB ALA 20 4.376 -2.422 3.536 160 H CYS 21 H CYS 21 0.965 0.233 4.081 161 HA CYS 21 HA CYS 21 1.478 2.825 2.811 162 1HB CYS 21 2HB CYS 21 -0.713 1.559 3.835 163 2HB CYS 21 1HB CYS 21 -0.285 2.593 5.194 164 H ALA 22 H ALA 22 3.473 3.611 3.488 165 HA ALA 22 HA ALA 22 3.936 3.761 6.447 166 1HB ALA 22 1HB ALA 22 5.711 3.345 4.046 167 2HB ALA 22 2HB ALA 22 5.568 2.355 5.499 168 3HB ALA 22 3HB ALA 22 6.386 3.915 5.574 169 H LEU 23 H LEU 23 5.438 5.469 3.676 170 HA LEU 23 HA LEU 23 5.563 7.966 5.168 171 1HB LEU 23 2HB LEU 23 5.913 7.555 2.181 172 2HB LEU 23 1HB LEU 23 6.639 8.805 3.176 173 HG LEU 23 HG LEU 23 8.463 7.440 3.116 174 1HD1 LEU 23 1HD1 LEU 23 8.727 6.481 5.140 175 2HD1 LEU 23 2HD1 LEU 23 7.412 5.339 4.868 176 3HD1 LEU 23 3HD1 LEU 23 7.062 6.966 5.455 177 1HD2 LEU 23 1HD2 LEU 23 8.349 5.654 1.775 178 2HD2 LEU 23 2HD2 LEU 23 6.588 5.698 1.863 179 3HD2 LEU 23 3HD2 LEU 23 7.507 4.752 3.035 180 H GLY 24 H GLY 24 2.880 7.366 5.244 181 1HA GLY 24 2HA GLY 24 0.803 8.418 4.853 182 2HA GLY 24 1HA GLY 24 1.656 9.613 3.876 183 H ILE 25 H ILE 25 2.542 6.619 2.681 184 HA ILE 25 HA ILE 25 0.178 6.220 0.940 185 HB ILE 25 HB ILE 25 2.733 6.496 -0.530 186 1HG1 ILE 25 2HG1 ILE 25 1.333 8.952 0.580 187 2HG1 ILE 25 1HG1 ILE 25 2.953 8.415 1.019 188 1HG2 ILE 25 1HG2 ILE 25 -0.152 7.221 -0.875 189 2HG2 ILE 25 2HG2 ILE 25 0.848 6.127 -1.832 190 3HG2 ILE 25 3HG2 ILE 25 1.075 7.870 -1.962 191 1HD1 ILE 25 1HD1 ILE 25 2.555 10.233 -0.902 192 2HD1 ILE 25 2HD1 ILE 25 2.371 8.779 -1.882 193 3HD1 ILE 25 3HD1 ILE 25 3.867 9.058 -0.993 194 H CYS 26 H CYS 26 1.012 4.395 -0.820 195 HA CYS 26 HA CYS 26 2.064 2.185 0.861 196 1HB CYS 26 2HB CYS 26 0.722 2.531 -1.779 197 2HB CYS 26 1HB CYS 26 1.753 1.123 -1.603 198 H MET 27 H MET 27 4.242 1.571 0.820 199 HA MET 27 HA MET 27 5.852 2.178 -1.586 200 1HB MET 27 2HB MET 27 5.818 3.743 0.886 201 2HB MET 27 1HB MET 27 7.441 3.238 0.410 202 1HG MET 27 2HG MET 27 5.792 4.196 -1.829 203 2HG MET 27 1HG MET 27 6.113 5.421 -0.602 204 1HE MET 27 1HE MET 27 7.586 2.766 -2.992 205 2HE MET 27 2HE MET 27 8.851 3.742 -3.735 206 3HE MET 27 3HE MET 27 7.175 4.285 -3.801 207 HA PRO 28 HA PRO 28 8.767 -0.290 1.262 208 1HB PRO 28 2HB PRO 28 7.997 -0.815 3.837 209 2HB PRO 28 1HB PRO 28 8.905 0.630 3.348 210 1HG PRO 28 2HG PRO 28 5.982 0.326 3.854 211 2HG PRO 28 1HG PRO 28 7.084 1.629 4.328 212 1HD PRO 28 2HD PRO 28 5.420 1.855 2.219 213 2HD PRO 28 1HD PRO 28 7.018 2.630 2.253 214 H ARG 29 HN ARG 29 6.870 -1.480 -0.352 215 HA ARG 29 HA ARG 29 6.861 -4.207 0.525 216 1HB ARG 29 2HB ARG 29 4.968 -2.824 1.822 217 2HB ARG 29 1HB ARG 29 4.076 -3.188 0.353 218 1HG ARG 29 2HG ARG 29 3.726 -5.286 1.058 219 2HG ARG 29 1HG ARG 29 5.464 -5.547 1.156 220 1HD ARG 29 2HD ARG 29 3.868 -4.172 3.339 221 2HD ARG 29 1HD ARG 29 4.261 -5.899 3.347 222 HE ARG 29 HE ARG 29 6.428 -3.838 3.073 223 1HH1 ARG 29 1HH2 ARG 29 5.028 -6.608 4.708 224 2HH1 ARG 29 2HH2 ARG 29 6.424 -6.866 5.688 225 1HH2 ARG 29 1HH1 ARG 29 8.210 -4.198 4.361 226 2HH2 ARG 29 2HH1 ARG 29 8.219 -5.502 5.498 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 -10.564 2.164 -7.451 2 2H GLY 1 2HT GLY 1 -12.036 1.331 -7.594 3 3H GLY 1 3HT GLY 1 -10.581 0.469 -7.483 4 1HA GLY 1 2HA GLY 1 -11.764 2.159 -5.344 5 2HA GLY 1 1HA GLY 1 -11.759 0.396 -5.382 6 H CYS 2 H CYS 2 -9.634 -0.682 -5.363 7 HA CYS 2 HA CYS 2 -7.854 0.308 -3.374 8 1HB CYS 2 2HB CYS 2 -6.413 -1.561 -4.205 9 2HB CYS 2 1HB CYS 2 -8.094 -2.055 -4.016 10 H LYS 3 H LYS 3 -5.668 1.181 -3.624 11 HA LYS 3 HA LYS 3 -5.253 2.606 -6.230 12 1HB LYS 3 2HB LYS 3 -4.101 3.285 -3.508 13 2HB LYS 3 1HB LYS 3 -4.128 4.304 -4.945 14 1HG LYS 3 2HG LYS 3 -6.188 5.069 -4.465 15 2HG LYS 3 1HG LYS 3 -6.814 3.433 -4.301 16 1HD LYS 3 2HD LYS 3 -7.122 4.127 -2.131 17 2HD LYS 3 1HD LYS 3 -5.455 3.569 -1.984 18 1HE LYS 3 2HE LYS 3 -4.668 5.689 -1.660 19 2HE LYS 3 1HE LYS 3 -5.681 6.348 -2.960 20 1HZ LYS 3 1HZ LYS 3 -7.556 6.399 -1.548 21 2HZ LYS 3 2HZ LYS 3 -6.287 7.077 -0.647 22 3HZ LYS 3 3HZ LYS 3 -6.790 5.476 -0.339 23 H LEU 4 H LEU 4 -2.731 3.205 -6.351 24 HA LEU 4 HA LEU 4 -1.322 0.592 -6.418 25 1HB LEU 4 2HB LEU 4 -0.811 3.359 -7.567 26 2HB LEU 4 1HB LEU 4 0.312 2.026 -7.774 27 HG LEU 4 HG LEU 4 -1.018 2.029 -9.742 28 1HD1 LEU 4 1HD1 LEU 4 -2.100 -0.100 -9.690 29 2HD1 LEU 4 2HD1 LEU 4 -2.400 0.024 -7.958 30 3HD1 LEU 4 3HD1 LEU 4 -0.754 -0.199 -8.553 31 1HD2 LEU 4 1HD2 LEU 4 -2.867 3.351 -8.258 32 2HD2 LEU 4 2HD2 LEU 4 -3.629 1.770 -8.389 33 3HD2 LEU 4 3HD2 LEU 4 -3.202 2.666 -9.847 34 H THR 5 H THR 5 1.293 2.022 -6.310 35 HA THR 5 HA THR 5 1.779 1.787 -3.465 36 HB THR 5 HB THR 5 3.854 3.055 -5.120 37 HG1 THR 5 1HG THR 5 4.003 1.500 -6.636 38 1HG2 THR 5 1HG2 THR 5 4.916 1.980 -3.438 39 2HG2 THR 5 2HG2 THR 5 4.671 0.509 -4.379 40 3HG2 THR 5 3HG2 THR 5 3.527 0.946 -3.113 41 H PHE 6 H PHE 6 2.741 4.562 -5.522 42 HA PHE 6 HA PHE 6 2.699 6.387 -3.279 43 1HB PHE 6 2HB PHE 6 3.415 6.342 -6.124 44 2HB PHE 6 1HB PHE 6 2.796 7.905 -5.591 45 HD1 PHE 6 1HD PHE 6 4.847 5.245 -3.909 46 HD2 PHE 6 2HD PHE 6 4.558 9.351 -5.132 47 HE1 PHE 6 1HE PHE 6 7.011 5.725 -2.796 48 HE2 PHE 6 2HE PHE 6 6.727 9.837 -4.017 49 HZ PHE 6 HZ PHE 6 7.948 8.020 -2.851 50 H TRP 7 H TRP 7 0.044 5.258 -3.540 51 HA TRP 7 HA TRP 7 -1.518 7.638 -4.464 52 1HB TRP 7 2HB TRP 7 -2.179 4.702 -4.127 53 2HB TRP 7 1HB TRP 7 -3.396 5.929 -4.444 54 HD1 TRP 7 HD TRP 7 0.098 5.342 -5.976 55 HE1 TRP 7 1HE TRP 7 -0.143 5.383 -8.542 56 HE3 TRP 7 3HE TRP 7 -4.954 5.940 -6.373 57 HZ2 TRP 7 2HZ TRP 7 -2.221 5.582 -10.508 58 HZ3 TRP 7 3HZ TRP 7 -6.033 6.033 -8.604 59 HH2 TRP 7 HH TRP 7 -4.671 5.857 -10.662 60 H LYS 8 H LYS 8 -1.749 8.925 -2.640 61 HA LYS 8 HA LYS 8 -1.455 8.561 0.009 62 1HB LYS 8 2HB LYS 8 -3.601 10.048 0.244 63 2HB LYS 8 1HB LYS 8 -2.226 10.668 -0.666 64 1HG LYS 8 2HG LYS 8 -3.604 10.947 -2.441 65 2HG LYS 8 1HG LYS 8 -3.771 9.196 -2.523 66 1HD LYS 8 2HD LYS 8 -5.787 9.184 -1.446 67 2HD LYS 8 1HD LYS 8 -5.405 10.609 -0.484 68 1HE LYS 8 2HE LYS 8 -5.866 10.798 -3.480 69 2HE LYS 8 1HE LYS 8 -7.197 10.935 -2.313 70 1HZ LYS 8 1HZ LYS 8 -4.687 12.515 -2.105 71 2HZ LYS 8 2HZ LYS 8 -6.124 12.729 -1.225 72 3HZ LYS 8 3HZ LYS 8 -6.080 13.092 -2.883 73 H CYS 9 H CYS 9 -1.835 6.530 0.896 74 HA CYS 9 HA CYS 9 -4.651 5.509 0.815 75 1HB CYS 9 2HB CYS 9 -3.453 3.347 1.514 76 2HB CYS 9 1HB CYS 9 -3.125 3.938 -0.109 77 H LYS 10 H LYS 10 -5.261 4.229 2.828 78 HA LYS 10 HA LYS 10 -4.472 5.779 5.273 79 1HB LYS 10 2HB LYS 10 -6.944 4.328 4.318 80 2HB LYS 10 1HB LYS 10 -6.714 4.643 6.037 81 1HG LYS 10 2HG LYS 10 -6.122 7.023 4.490 82 2HG LYS 10 1HG LYS 10 -7.737 6.427 4.110 83 1HD LYS 10 2HD LYS 10 -6.985 6.463 6.990 84 2HD LYS 10 1HD LYS 10 -7.236 8.032 6.225 85 1HE LYS 10 2HE LYS 10 -9.311 6.083 5.492 86 2HE LYS 10 1HE LYS 10 -9.256 6.411 7.235 87 1HZ LYS 10 1HZ LYS 10 -9.329 8.464 5.077 88 2HZ LYS 10 2HZ LYS 10 -9.222 8.790 6.743 89 3HZ LYS 10 3HZ LYS 10 -10.614 8.061 6.106 90 H ASN 11 H ASN 11 -5.030 2.487 4.005 91 HA ASN 11 HA ASN 11 -3.383 1.416 6.277 92 1HB ASN 11 2HB ASN 11 -4.993 -0.586 6.122 93 2HB ASN 11 1HB ASN 11 -5.643 0.889 6.830 94 1HD2 ASN 11 1HD2 ASN 11 -5.970 -1.349 4.176 95 2HD2 ASN 11 2HD2 ASN 11 -7.241 -0.543 3.396 96 H LYS 12 H LYS 12 -2.369 -0.723 5.696 97 HA LYS 12 HA LYS 12 -1.054 -0.650 3.180 98 1HB LYS 12 2HB LYS 12 -0.219 -2.853 3.856 99 2HB LYS 12 1HB LYS 12 -0.236 -1.768 5.237 100 1HG LYS 12 2HG LYS 12 -2.619 -2.787 5.660 101 2HG LYS 12 1HG LYS 12 -2.036 -4.096 4.630 102 1HD LYS 12 2HD LYS 12 0.045 -3.470 6.482 103 2HD LYS 12 1HD LYS 12 -1.452 -3.621 7.401 104 1HE LYS 12 2HE LYS 12 -1.795 -5.858 6.721 105 2HE LYS 12 1HE LYS 12 -0.703 -5.697 5.330 106 1HZ LYS 12 1HZ LYS 12 0.312 -6.857 7.278 107 2HZ LYS 12 2HZ LYS 12 0.174 -5.414 8.163 108 3HZ LYS 12 3HZ LYS 12 1.165 -5.479 6.784 109 H LYS 13 H LYS 13 -4.028 -2.356 4.138 110 HA LYS 13 HA LYS 13 -4.217 -3.911 1.674 111 1HB LYS 13 2HB LYS 13 -5.219 -4.301 4.048 112 2HB LYS 13 1HB LYS 13 -6.487 -3.190 3.532 113 1HG LYS 13 2HG LYS 13 -6.999 -4.636 1.610 114 2HG LYS 13 1HG LYS 13 -5.694 -5.732 2.070 115 1HD LYS 13 2HD LYS 13 -6.816 -6.247 4.180 116 2HD LYS 13 1HD LYS 13 -8.085 -5.076 3.820 117 1HE LYS 13 2HE LYS 13 -8.392 -6.512 1.619 118 2HE LYS 13 1HE LYS 13 -7.596 -7.775 2.579 119 1HZ LYS 13 1HZ LYS 13 -9.874 -7.957 3.101 120 2HZ LYS 13 2HZ LYS 13 -10.078 -6.279 3.233 121 3HZ LYS 13 3HZ LYS 13 -9.204 -7.126 4.416 122 H GLU 14 H GLU 14 -4.436 -0.610 2.079 123 HA GLU 14 HA GLU 14 -6.880 -0.026 0.603 124 1HB GLU 14 2HB GLU 14 -5.957 1.532 2.214 125 2HB GLU 14 1HB GLU 14 -4.400 1.542 1.386 126 1HG GLU 14 2HG GLU 14 -5.099 3.192 0.029 127 2HG GLU 14 1HG GLU 14 -6.461 2.212 -0.489 128 H CYS 15 H CYS 15 -3.518 -0.678 -0.260 129 HA CYS 15 HA CYS 15 -4.008 0.221 -3.060 130 1HB CYS 15 2HB CYS 15 -1.467 -0.871 -3.010 131 2HB CYS 15 1HB CYS 15 -1.842 0.825 -2.772 132 H CYS 16 H CYS 16 -4.195 -1.241 -4.778 133 HA CYS 16 HA CYS 16 -5.164 -3.872 -4.237 134 1HB CYS 16 2HB CYS 16 -4.596 -2.168 -6.512 135 2HB CYS 16 1HB CYS 16 -4.139 -3.836 -6.862 136 H GLY 17 H GLY 17 -1.987 -2.925 -5.635 137 1HA GLY 17 2HA GLY 17 -0.904 -5.599 -5.392 138 2HA GLY 17 1HA GLY 17 0.042 -4.127 -5.648 139 H TRP 18 H TRP 18 -0.977 -6.425 -3.311 140 HA TRP 18 HA TRP 18 -1.064 -5.341 -0.841 141 1HB TRP 18 2HB TRP 18 0.289 -7.732 -1.991 142 2HB TRP 18 1HB TRP 18 0.671 -7.341 -0.314 143 HD1 TRP 18 HD TRP 18 -2.243 -6.103 0.381 144 HE1 TRP 18 1HE TRP 18 -4.204 -7.737 0.748 145 HE3 TRP 18 3HE TRP 18 -0.421 -10.223 -2.020 146 HZ2 TRP 18 2HZ TRP 18 -4.905 -10.434 0.107 147 HZ3 TRP 18 3HZ TRP 18 -1.750 -12.306 -2.123 148 HH2 TRP 18 HH TRP 18 -3.989 -12.419 -1.063 149 H ASN 19 H ASN 19 -0.072 -3.392 -0.523 150 HA ASN 19 HA ASN 19 2.918 -3.391 -0.280 151 1HB ASN 19 2HB ASN 19 1.919 -2.234 -2.309 152 2HB ASN 19 1HB ASN 19 1.141 -1.116 -1.192 153 1HD2 ASN 19 1HD2 ASN 19 4.052 -1.727 -2.908 154 2HD2 ASN 19 2HD2 ASN 19 5.014 -0.575 -2.120 155 H ALA 20 H ALA 20 3.548 -1.433 1.214 156 HA ALA 20 HA ALA 20 1.670 -1.482 3.532 157 1HB ALA 20 1HB ALA 20 4.254 -2.183 3.351 158 2HB ALA 20 2HB ALA 20 3.567 -1.511 4.829 159 3HB ALA 20 3HB ALA 20 4.462 -0.471 3.718 160 H CYS 21 H CYS 21 0.563 0.372 3.968 161 HA CYS 21 HA CYS 21 1.197 2.897 2.602 162 1HB CYS 21 2HB CYS 21 -1.097 1.858 3.257 163 2HB CYS 21 1HB CYS 21 -0.744 2.447 4.882 164 H ALA 22 H ALA 22 3.374 3.231 3.496 165 HA ALA 22 HA ALA 22 3.533 3.675 6.442 166 1HB ALA 22 1HB ALA 22 5.512 3.145 4.213 167 2HB ALA 22 2HB ALA 22 5.104 2.102 5.577 168 3HB ALA 22 3HB ALA 22 6.032 3.577 5.845 169 H LEU 23 H LEU 23 5.284 5.172 3.719 170 HA LEU 23 HA LEU 23 5.569 7.697 5.136 171 1HB LEU 23 2HB LEU 23 6.229 6.581 2.404 172 2HB LEU 23 1HB LEU 23 6.471 8.289 2.744 173 HG LEU 23 HG LEU 23 8.209 7.905 4.216 174 1HD1 LEU 23 1HD1 LEU 23 8.520 5.893 5.557 175 2HD1 LEU 23 2HD1 LEU 23 7.192 5.094 4.722 176 3HD1 LEU 23 3HD1 LEU 23 6.870 6.479 5.766 177 1HD2 LEU 23 1HD2 LEU 23 8.562 5.244 2.909 178 2HD2 LEU 23 2HD2 LEU 23 9.716 6.564 3.111 179 3HD2 LEU 23 3HD2 LEU 23 8.466 6.670 1.872 180 H GLY 24 H GLY 24 2.832 7.351 5.085 181 1HA GLY 24 2HA GLY 24 0.897 8.588 4.553 182 2HA GLY 24 1HA GLY 24 1.918 9.665 3.601 183 H ILE 25 H ILE 25 2.518 6.538 2.567 184 HA ILE 25 HA ILE 25 0.244 6.310 0.698 185 HB ILE 25 HB ILE 25 2.688 6.164 -0.812 186 1HG1 ILE 25 2HG1 ILE 25 2.224 8.831 0.560 187 2HG1 ILE 25 1HG1 ILE 25 3.615 7.774 0.808 188 1HG2 ILE 25 1HG2 ILE 25 0.443 6.503 -1.724 189 2HG2 ILE 25 2HG2 ILE 25 1.536 7.790 -2.233 190 3HG2 ILE 25 3HG2 ILE 25 0.362 8.085 -0.947 191 1HD1 ILE 25 1HD1 ILE 25 3.197 8.251 -2.021 192 2HD1 ILE 25 2HD1 ILE 25 4.631 8.567 -1.045 193 3HD1 ILE 25 3HD1 ILE 25 3.354 9.778 -1.156 194 H CYS 26 H CYS 26 0.904 4.352 -0.897 195 HA CYS 26 HA CYS 26 1.790 2.142 0.859 196 1HB CYS 26 2HB CYS 26 0.786 2.399 -1.996 197 2HB CYS 26 1HB CYS 26 1.296 0.859 -1.318 198 H MET 27 H MET 27 4.034 1.860 1.071 199 HA MET 27 HA MET 27 5.648 2.222 -1.413 200 1HB MET 27 2HB MET 27 5.845 3.605 1.235 201 2HB MET 27 1HB MET 27 7.282 3.428 0.236 202 1HG MET 27 2HG MET 27 5.850 4.438 -1.668 203 2HG MET 27 1HG MET 27 4.713 4.885 -0.398 204 1HE MET 27 1HE MET 27 8.238 4.623 -1.386 205 2HE MET 27 2HE MET 27 8.875 5.032 0.205 206 3HE MET 27 3HE MET 27 8.984 6.202 -1.106 207 HA PRO 28 HA PRO 28 8.459 -0.537 1.070 208 1HB PRO 28 2HB PRO 28 8.612 -0.404 3.787 209 2HB PRO 28 1HB PRO 28 9.481 0.729 2.731 210 1HG PRO 28 2HG PRO 28 6.998 1.109 4.286 211 2HG PRO 28 1HG PRO 28 8.282 2.257 3.901 212 1HD PRO 28 2HD PRO 28 5.825 2.140 2.636 213 2HD PRO 28 1HD PRO 28 7.289 2.901 1.972 214 H ARG 29 HN ARG 29 7.026 -2.221 0.484 215 HA ARG 29 HA ARG 29 4.777 -3.185 1.952 216 1HB ARG 29 2HB ARG 29 6.750 -4.757 0.247 217 2HB ARG 29 1HB ARG 29 5.082 -5.217 0.579 218 1HG ARG 29 2HG ARG 29 4.436 -4.032 -1.232 219 2HG ARG 29 1HG ARG 29 5.032 -2.571 -0.433 220 1HD ARG 29 2HD ARG 29 6.323 -2.581 -2.385 221 2HD ARG 29 1HD ARG 29 7.385 -3.445 -1.259 222 HE ARG 29 HE ARG 29 5.945 -5.520 -2.191 223 1HH1 ARG 29 1HH2 ARG 29 7.421 -2.847 -3.875 224 2HH1 ARG 29 2HH2 ARG 29 7.554 -3.696 -5.366 225 1HH2 ARG 29 1HH1 ARG 29 6.115 -6.611 -4.158 226 2HH2 ARG 29 2HH1 ARG 29 6.823 -5.834 -5.536 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 -12.989 -0.270 -4.379 2 2H GLY 1 2HT GLY 1 -12.965 -0.024 -2.700 3 3H GLY 1 3HT GLY 1 -11.948 -1.187 -3.407 4 1HA GLY 1 2HA GLY 1 -11.513 1.348 -4.597 5 2HA GLY 1 1HA GLY 1 -11.330 1.435 -2.845 6 H CYS 2 H CYS 2 -9.162 1.629 -4.774 7 HA CYS 2 HA CYS 2 -7.268 -0.213 -3.583 8 1HB CYS 2 2HB CYS 2 -8.785 -1.540 -5.281 9 2HB CYS 2 1HB CYS 2 -7.802 -0.736 -6.503 10 H LYS 3 H LYS 3 -5.564 1.238 -3.514 11 HA LYS 3 HA LYS 3 -5.092 2.983 -5.905 12 1HB LYS 3 2HB LYS 3 -3.842 3.262 -3.165 13 2HB LYS 3 1HB LYS 3 -4.033 4.488 -4.404 14 1HG LYS 3 2HG LYS 3 -6.120 5.023 -3.726 15 2HG LYS 3 1HG LYS 3 -6.587 3.335 -3.568 16 1HD LYS 3 2HD LYS 3 -5.962 3.218 -1.348 17 2HD LYS 3 1HD LYS 3 -4.659 4.390 -1.554 18 1HE LYS 3 2HE LYS 3 -6.227 5.636 -0.313 19 2HE LYS 3 1HE LYS 3 -6.657 6.086 -1.976 20 1HZ LYS 3 1HZ LYS 3 -8.228 4.204 -1.998 21 2HZ LYS 3 2HZ LYS 3 -8.629 5.359 -0.826 22 3HZ LYS 3 3HZ LYS 3 -7.883 3.896 -0.360 23 H LEU 4 H LEU 4 -2.752 3.431 -6.345 24 HA LEU 4 HA LEU 4 -1.255 0.911 -6.525 25 1HB LEU 4 2HB LEU 4 -1.104 3.697 -7.631 26 2HB LEU 4 1HB LEU 4 0.328 2.682 -7.724 27 HG LEU 4 HG LEU 4 -1.004 2.462 -9.772 28 1HD1 LEU 4 1HD1 LEU 4 0.160 0.454 -8.590 29 2HD1 LEU 4 2HD1 LEU 4 -0.972 0.124 -9.902 30 3HD1 LEU 4 3HD1 LEU 4 -1.480 -0.073 -8.225 31 1HD2 LEU 4 1HD2 LEU 4 -3.190 3.011 -8.627 32 2HD2 LEU 4 2HD2 LEU 4 -3.197 1.365 -8.000 33 3HD2 LEU 4 3HD2 LEU 4 -3.268 1.640 -9.739 34 H THR 5 H THR 5 1.363 2.057 -6.401 35 HA THR 5 HA THR 5 1.927 1.834 -3.600 36 HB THR 5 HB THR 5 3.998 3.131 -5.177 37 HG1 THR 5 1HG THR 5 3.194 0.693 -6.304 38 1HG2 THR 5 1HG2 THR 5 3.568 0.462 -3.865 39 2HG2 THR 5 2HG2 THR 5 4.640 1.769 -3.370 40 3HG2 THR 5 3HG2 THR 5 5.029 0.802 -4.793 41 H PHE 6 H PHE 6 2.900 4.659 -5.558 42 HA PHE 6 HA PHE 6 2.933 6.408 -3.270 43 1HB PHE 6 2HB PHE 6 3.273 6.668 -6.249 44 2HB PHE 6 1HB PHE 6 3.219 8.110 -5.236 45 HD1 PHE 6 1HD PHE 6 5.493 6.173 -6.811 46 HD2 PHE 6 2HD PHE 6 4.591 7.453 -2.812 47 HE1 PHE 6 1HE PHE 6 7.855 5.808 -6.164 48 HE2 PHE 6 2HE PHE 6 6.958 7.085 -2.164 49 HZ PHE 6 HZ PHE 6 8.587 6.267 -3.833 50 H TRP 7 H TRP 7 0.215 5.301 -3.670 51 HA TRP 7 HA TRP 7 -1.299 7.758 -4.457 52 1HB TRP 7 2HB TRP 7 -2.023 4.818 -4.138 53 2HB TRP 7 1HB TRP 7 -3.220 6.081 -4.407 54 HD1 TRP 7 HD TRP 7 0.248 5.836 -6.064 55 HE1 TRP 7 1HE TRP 7 -0.071 5.784 -8.614 56 HE3 TRP 7 3HE TRP 7 -4.838 5.621 -6.282 57 HZ2 TRP 7 2HZ TRP 7 -2.217 5.640 -10.509 58 HZ3 TRP 7 3HZ TRP 7 -5.998 5.512 -8.463 59 HH2 TRP 7 HH TRP 7 -4.689 5.524 -10.585 60 H LYS 8 H LYS 8 -2.000 8.999 -2.758 61 HA LYS 8 HA LYS 8 -1.500 8.658 -0.061 62 1HB LYS 8 2HB LYS 8 -3.758 9.977 -1.577 63 2HB LYS 8 1HB LYS 8 -3.676 10.084 0.181 64 1HG LYS 8 2HG LYS 8 -1.297 10.788 -1.546 65 2HG LYS 8 1HG LYS 8 -2.547 11.977 -1.176 66 1HD LYS 8 2HD LYS 8 -2.194 11.450 1.277 67 2HD LYS 8 1HD LYS 8 -0.801 10.479 0.798 68 1HE LYS 8 2HE LYS 8 0.196 12.563 1.258 69 2HE LYS 8 1HE LYS 8 -0.078 12.677 -0.492 70 1HZ LYS 8 1HZ LYS 8 -2.243 13.702 -0.028 71 2HZ LYS 8 2HZ LYS 8 -0.971 14.625 0.606 72 3HZ LYS 8 3HZ LYS 8 -1.917 13.663 1.636 73 H CYS 9 H CYS 9 -1.812 6.577 0.782 74 HA CYS 9 HA CYS 9 -4.615 5.499 0.705 75 1HB CYS 9 2HB CYS 9 -3.512 3.661 -0.020 76 2HB CYS 9 1HB CYS 9 -1.954 4.415 0.301 77 H LYS 10 H LYS 10 -5.403 4.475 2.676 78 HA LYS 10 HA LYS 10 -4.262 5.724 5.149 79 1HB LYS 10 2HB LYS 10 -6.568 5.460 6.035 80 2HB LYS 10 1HB LYS 10 -6.561 6.400 4.547 81 1HG LYS 10 2HG LYS 10 -7.716 4.806 3.384 82 2HG LYS 10 1HG LYS 10 -6.874 3.477 4.175 83 1HD LYS 10 2HD LYS 10 -8.614 3.169 5.556 84 2HD LYS 10 1HD LYS 10 -8.453 4.825 6.144 85 1HE LYS 10 2HE LYS 10 -9.657 5.273 3.726 86 2HE LYS 10 1HE LYS 10 -10.372 3.710 4.174 87 1HZ LYS 10 1HZ LYS 10 -11.606 5.587 5.150 88 2HZ LYS 10 2HZ LYS 10 -10.208 6.087 5.969 89 3HZ LYS 10 3HZ LYS 10 -10.928 4.599 6.349 90 H ASN 11 H ASN 11 -5.181 2.661 3.634 91 HA ASN 11 HA ASN 11 -4.179 1.242 6.078 92 1HB ASN 11 2HB ASN 11 -6.689 1.199 5.470 93 2HB ASN 11 1HB ASN 11 -6.207 0.188 4.108 94 1HD2 ASN 11 1HD2 ASN 11 -7.194 0.048 7.297 95 2HD2 ASN 11 2HD2 ASN 11 -6.602 -1.494 7.681 96 H LYS 12 H LYS 12 -2.700 -0.428 5.672 97 HA LYS 12 HA LYS 12 -1.340 -0.495 3.132 98 1HB LYS 12 2HB LYS 12 -0.082 -2.324 4.216 99 2HB LYS 12 1HB LYS 12 -0.269 -0.953 5.299 100 1HG LYS 12 2HG LYS 12 -1.989 -2.068 6.550 101 2HG LYS 12 1HG LYS 12 -2.140 -3.329 5.324 102 1HD LYS 12 2HD LYS 12 -0.530 -4.544 6.314 103 2HD LYS 12 1HD LYS 12 0.601 -3.196 6.185 104 1HE LYS 12 2HE LYS 12 -0.989 -2.357 8.270 105 2HE LYS 12 1HE LYS 12 -0.961 -4.111 8.529 106 1HZ LYS 12 1HZ LYS 12 1.227 -2.191 8.615 107 2HZ LYS 12 2HZ LYS 12 1.586 -3.666 7.860 108 3HZ LYS 12 3HZ LYS 12 1.035 -3.638 9.468 109 H LYS 13 H LYS 13 -4.143 -2.166 4.376 110 HA LYS 13 HA LYS 13 -3.943 -4.365 2.400 111 1HB LYS 13 2HB LYS 13 -5.366 -3.743 4.887 112 2HB LYS 13 1HB LYS 13 -6.406 -4.491 3.678 113 1HG LYS 13 2HG LYS 13 -4.622 -6.270 3.382 114 2HG LYS 13 1HG LYS 13 -3.808 -5.593 4.793 115 1HD LYS 13 2HD LYS 13 -5.482 -6.275 6.254 116 2HD LYS 13 1HD LYS 13 -6.722 -6.248 5.002 117 1HE LYS 13 2HE LYS 13 -6.454 -8.484 4.731 118 2HE LYS 13 1HE LYS 13 -4.781 -8.204 4.211 119 1HZ LYS 13 1HZ LYS 13 -4.120 -8.090 6.549 120 2HZ LYS 13 2HZ LYS 13 -4.840 -9.588 6.200 121 3HZ LYS 13 3HZ LYS 13 -5.717 -8.402 7.034 122 H GLU 14 H GLU 14 -5.067 -1.150 2.286 123 HA GLU 14 HA GLU 14 -7.294 -1.852 0.442 124 1HB GLU 14 2HB GLU 14 -7.993 0.456 0.751 125 2HB GLU 14 1HB GLU 14 -7.686 -0.282 2.318 126 1HG GLU 14 2HG GLU 14 -6.086 1.211 2.796 127 2HG GLU 14 1HG GLU 14 -5.264 0.925 1.266 128 H CYS 15 H CYS 15 -4.083 -1.508 0.066 129 HA CYS 15 HA CYS 15 -4.208 0.202 -2.379 130 1HB CYS 15 2HB CYS 15 -2.218 -0.581 -0.368 131 2HB CYS 15 1HB CYS 15 -1.602 -0.696 -2.013 132 H CYS 16 H CYS 16 -3.732 -0.698 -4.444 133 HA CYS 16 HA CYS 16 -4.308 -3.499 -4.877 134 1HB CYS 16 2HB CYS 16 -3.442 -1.110 -6.446 135 2HB CYS 16 1HB CYS 16 -3.115 -2.680 -7.176 136 H GLY 17 H GLY 17 -2.846 -5.226 -5.277 137 1HA GLY 17 2HA GLY 17 -0.801 -6.395 -5.167 138 2HA GLY 17 1HA GLY 17 -0.003 -4.877 -5.609 139 H TRP 18 H TRP 18 -1.896 -6.050 -2.832 140 HA TRP 18 HA TRP 18 -1.586 -5.014 -0.594 141 1HB TRP 18 2HB TRP 18 -0.058 -7.526 -1.270 142 2HB TRP 18 1HB TRP 18 -0.214 -6.969 0.395 143 HD1 TRP 18 HD TRP 18 -3.102 -6.017 0.594 144 HE1 TRP 18 1HE TRP 18 -5.096 -7.630 0.306 145 HE3 TRP 18 3HE TRP 18 -0.832 -9.767 -2.020 146 HZ2 TRP 18 2HZ TRP 18 -5.648 -10.175 -0.878 147 HZ3 TRP 18 3HZ TRP 18 -2.108 -11.769 -2.720 148 HH2 TRP 18 HH TRP 18 -4.516 -11.976 -2.151 149 H ASN 19 H ASN 19 -0.331 -3.009 -1.204 150 HA ASN 19 HA ASN 19 2.624 -3.176 -0.743 151 1HB ASN 19 2HB ASN 19 1.005 -1.817 -2.523 152 2HB ASN 19 1HB ASN 19 1.321 -0.589 -1.300 153 1HD2 ASN 19 1HD2 ASN 19 3.711 -0.254 -0.749 154 2HD2 ASN 19 2HD2 ASN 19 4.842 -0.471 -1.997 155 H ALA 20 H ALA 20 3.565 -2.037 1.023 156 HA ALA 20 HA ALA 20 1.887 -1.688 3.386 157 1HB ALA 20 1HB ALA 20 4.782 -1.140 2.697 158 2HB ALA 20 2HB ALA 20 4.136 -2.505 3.613 159 3HB ALA 20 3HB ALA 20 4.120 -0.888 4.312 160 H CYS 21 H CYS 21 0.875 0.156 4.025 161 HA CYS 21 HA CYS 21 1.344 2.700 2.601 162 1HB CYS 21 2HB CYS 21 -0.863 1.468 3.588 163 2HB CYS 21 1HB CYS 21 -0.454 2.468 4.977 164 H ALA 22 H ALA 22 3.286 3.633 3.324 165 HA ALA 22 HA ALA 22 3.735 3.710 6.301 166 1HB ALA 22 1HB ALA 22 6.195 3.856 5.407 167 2HB ALA 22 2HB ALA 22 5.496 3.250 3.901 168 3HB ALA 22 3HB ALA 22 5.363 2.303 5.388 169 H LEU 23 H LEU 23 5.360 5.430 3.630 170 HA LEU 23 HA LEU 23 5.495 7.884 5.196 171 1HB LEU 23 2HB LEU 23 6.006 7.831 2.236 172 2HB LEU 23 1HB LEU 23 6.934 8.605 3.511 173 HG LEU 23 HG LEU 23 6.897 5.640 2.842 174 1HD1 LEU 23 1HD1 LEU 23 9.208 7.580 2.891 175 2HD1 LEU 23 2HD1 LEU 23 8.257 7.274 1.439 176 3HD1 LEU 23 3HD1 LEU 23 9.165 5.962 2.191 177 1HD2 LEU 23 1HD2 LEU 23 8.252 5.223 4.725 178 2HD2 LEU 23 2HD2 LEU 23 7.043 6.342 5.360 179 3HD2 LEU 23 3HD2 LEU 23 8.647 6.931 4.928 180 H GLY 24 H GLY 24 2.795 7.430 5.098 181 1HA GLY 24 2HA GLY 24 0.819 8.624 4.600 182 2HA GLY 24 1HA GLY 24 1.795 9.769 3.682 183 H ILE 25 H ILE 25 2.498 6.664 2.610 184 HA ILE 25 HA ILE 25 0.271 6.457 0.680 185 HB ILE 25 HB ILE 25 2.795 6.335 -0.733 186 1HG1 ILE 25 2HG1 ILE 25 2.162 8.997 0.589 187 2HG1 ILE 25 1HG1 ILE 25 3.583 8.002 0.904 188 1HG2 ILE 25 1HG2 ILE 25 0.337 8.059 -0.979 189 2HG2 ILE 25 2HG2 ILE 25 0.686 6.561 -1.844 190 3HG2 ILE 25 3HG2 ILE 25 1.640 8.007 -2.167 191 1HD1 ILE 25 1HD1 ILE 25 4.586 8.567 -1.074 192 2HD1 ILE 25 2HD1 ILE 25 3.587 10.008 -0.885 193 3HD1 ILE 25 3HD1 ILE 25 3.050 8.695 -1.932 194 H CYS 26 H CYS 26 1.090 4.542 -0.976 195 HA CYS 26 HA CYS 26 1.859 2.309 0.851 196 1HB CYS 26 2HB CYS 26 0.659 2.561 -1.917 197 2HB CYS 26 1HB CYS 26 1.128 1.007 -1.236 198 H MET 27 H MET 27 4.073 1.838 0.919 199 HA MET 27 HA MET 27 5.515 1.808 -1.679 200 1HB MET 27 2HB MET 27 5.744 3.821 0.425 201 2HB MET 27 1HB MET 27 7.300 3.140 -0.055 202 1HG MET 27 2HG MET 27 5.408 3.827 -2.238 203 2HG MET 27 1HG MET 27 6.154 5.171 -1.377 204 1HE MET 27 1HE MET 27 6.773 1.951 -3.589 205 2HE MET 27 2HE MET 27 7.839 2.809 -4.698 206 3HE MET 27 3HE MET 27 6.247 3.467 -4.337 207 HA PRO 28 HA PRO 28 8.646 -0.311 1.153 208 1HB PRO 28 2HB PRO 28 8.438 -0.072 3.872 209 2HB PRO 28 1HB PRO 28 9.302 1.096 2.849 210 1HG PRO 28 2HG PRO 28 6.566 1.257 4.007 211 2HG PRO 28 1HG PRO 28 7.804 2.514 3.858 212 1HD PRO 28 2HD PRO 28 5.684 2.332 2.175 213 2HD PRO 28 1HD PRO 28 7.265 2.980 1.681 214 H ARG 29 HN ARG 29 6.732 -1.809 0.255 215 HA ARG 29 HA ARG 29 4.969 -3.157 2.066 216 1HB ARG 29 2HB ARG 29 4.835 -3.250 -0.407 217 2HB ARG 29 1HB ARG 29 6.354 -4.140 -0.455 218 1HG ARG 29 2HG ARG 29 4.324 -5.293 1.349 219 2HG ARG 29 1HG ARG 29 3.875 -5.312 -0.353 220 1HD ARG 29 2HD ARG 29 5.547 -6.798 -0.915 221 2HD ARG 29 1HD ARG 29 6.654 -6.174 0.311 222 HE ARG 29 HE ARG 29 4.327 -7.980 0.886 223 1HH1 ARG 29 1HH2 ARG 29 7.351 -6.509 1.816 224 2HH1 ARG 29 2HH2 ARG 29 7.525 -7.495 3.223 225 1HH2 ARG 29 1HH1 ARG 29 4.595 -9.265 2.710 226 2HH2 ARG 29 2HH1 ARG 29 5.978 -9.045 3.728 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 -13.526 0.396 -4.036 2 2H GLY 1 2HT GLY 1 -12.344 -0.669 -3.440 3 3H GLY 1 3HT GLY 1 -12.437 -0.336 -5.103 4 1HA GLY 1 2HA GLY 1 -11.625 1.823 -4.865 5 2HA GLY 1 1HA GLY 1 -11.906 1.793 -3.125 6 H CYS 2 H CYS 2 -9.635 1.092 -5.618 7 HA CYS 2 HA CYS 2 -7.691 0.141 -3.549 8 1HB CYS 2 2HB CYS 2 -8.779 -1.750 -4.866 9 2HB CYS 2 1HB CYS 2 -8.013 -1.082 -6.307 10 H LYS 3 H LYS 3 -5.625 1.022 -3.870 11 HA LYS 3 HA LYS 3 -5.225 2.639 -6.378 12 1HB LYS 3 2HB LYS 3 -4.098 3.312 -3.646 13 2HB LYS 3 1HB LYS 3 -4.289 4.373 -5.039 14 1HG LYS 3 2HG LYS 3 -6.879 3.489 -4.571 15 2HG LYS 3 1HG LYS 3 -6.222 3.694 -2.950 16 1HD LYS 3 2HD LYS 3 -6.489 5.920 -3.126 17 2HD LYS 3 1HD LYS 3 -5.381 5.939 -4.498 18 1HE LYS 3 2HE LYS 3 -7.385 5.222 -5.949 19 2HE LYS 3 1HE LYS 3 -8.401 5.632 -4.552 20 1HZ LYS 3 1HZ LYS 3 -7.284 7.821 -4.491 21 2HZ LYS 3 2HZ LYS 3 -8.161 7.574 -5.920 22 3HZ LYS 3 3HZ LYS 3 -6.470 7.434 -5.928 23 H LEU 4 H LEU 4 -2.730 3.212 -6.494 24 HA LEU 4 HA LEU 4 -1.306 0.625 -6.501 25 1HB LEU 4 2HB LEU 4 -0.818 3.385 -7.655 26 2HB LEU 4 1HB LEU 4 0.372 2.103 -7.789 27 HG LEU 4 HG LEU 4 -0.856 1.981 -9.805 28 1HD1 LEU 4 1HD1 LEU 4 -2.376 0.017 -8.104 29 2HD1 LEU 4 2HD1 LEU 4 -0.648 -0.182 -8.401 30 3HD1 LEU 4 3HD1 LEU 4 -1.784 -0.179 -9.752 31 1HD2 LEU 4 1HD2 LEU 4 -3.549 1.670 -8.701 32 2HD2 LEU 4 2HD2 LEU 4 -2.990 2.685 -10.030 33 3HD2 LEU 4 3HD2 LEU 4 -2.845 3.250 -8.369 34 H THR 5 H THR 5 1.302 2.196 -6.337 35 HA THR 5 HA THR 5 1.707 1.887 -3.477 36 HB THR 5 HB THR 5 3.883 3.140 -4.923 37 HG1 THR 5 1HG THR 5 4.083 1.737 -6.605 38 1HG2 THR 5 1HG2 THR 5 3.550 1.212 -2.991 39 2HG2 THR 5 2HG2 THR 5 5.071 1.562 -3.813 40 3HG2 THR 5 3HG2 THR 5 4.033 0.259 -4.396 41 H PHE 6 H PHE 6 2.706 4.639 -5.513 42 HA PHE 6 HA PHE 6 2.699 6.512 -3.336 43 1HB PHE 6 2HB PHE 6 2.830 6.756 -6.353 44 2HB PHE 6 1HB PHE 6 3.018 8.140 -5.279 45 HD1 PHE 6 1HD PHE 6 4.947 6.242 -7.228 46 HD2 PHE 6 2HD PHE 6 4.548 7.085 -3.033 47 HE1 PHE 6 1HE PHE 6 7.332 5.645 -6.880 48 HE2 PHE 6 2HE PHE 6 6.926 6.487 -2.681 49 HZ PHE 6 HZ PHE 6 8.323 5.765 -4.606 50 H TRP 7 H TRP 7 0.024 5.293 -3.587 51 HA TRP 7 HA TRP 7 -1.589 7.656 -4.425 52 1HB TRP 7 2HB TRP 7 -2.154 4.702 -4.035 53 2HB TRP 7 1HB TRP 7 -3.435 5.882 -4.294 54 HD1 TRP 7 HD TRP 7 0.010 5.446 -6.005 55 HE1 TRP 7 1HE TRP 7 -0.361 5.427 -8.548 56 HE3 TRP 7 3HE TRP 7 -5.091 5.762 -6.172 57 HZ2 TRP 7 2HZ TRP 7 -2.516 5.507 -10.415 58 HZ3 TRP 7 3HZ TRP 7 -6.275 5.774 -8.353 59 HH2 TRP 7 HH TRP 7 -4.993 5.649 -10.469 60 H LYS 8 H LYS 8 -1.844 8.958 -2.643 61 HA LYS 8 HA LYS 8 -1.383 8.555 0.015 62 1HB LYS 8 2HB LYS 8 -3.387 10.173 0.357 63 2HB LYS 8 1HB LYS 8 -2.062 10.705 -0.673 64 1HG LYS 8 2HG LYS 8 -3.525 11.004 -2.362 65 2HG LYS 8 1HG LYS 8 -3.883 9.277 -2.340 66 1HD LYS 8 2HD LYS 8 -5.931 9.704 -1.557 67 2HD LYS 8 1HD LYS 8 -5.233 10.465 -0.128 68 1HE LYS 8 2HE LYS 8 -4.878 12.498 -1.853 69 2HE LYS 8 1HE LYS 8 -6.283 11.739 -2.627 70 1HZ LYS 8 1HZ LYS 8 -6.111 12.343 0.281 71 2HZ LYS 8 2HZ LYS 8 -7.472 11.784 -0.573 72 3HZ LYS 8 3HZ LYS 8 -6.876 13.349 -0.846 73 H CYS 9 H CYS 9 -1.849 6.583 0.943 74 HA CYS 9 HA CYS 9 -4.737 5.747 1.055 75 1HB CYS 9 2HB CYS 9 -3.692 3.467 1.502 76 2HB CYS 9 1HB CYS 9 -3.413 4.124 -0.106 77 H LYS 10 H LYS 10 -5.253 4.478 3.125 78 HA LYS 10 HA LYS 10 -3.911 5.808 5.456 79 1HB LYS 10 2HB LYS 10 -6.363 6.244 4.850 80 2HB LYS 10 1HB LYS 10 -6.673 4.571 5.311 81 1HG LYS 10 2HG LYS 10 -6.710 5.131 7.482 82 2HG LYS 10 1HG LYS 10 -5.097 5.831 7.365 83 1HD LYS 10 2HD LYS 10 -6.958 7.613 6.096 84 2HD LYS 10 1HD LYS 10 -7.580 7.200 7.694 85 1HE LYS 10 2HE LYS 10 -4.681 7.997 7.332 86 2HE LYS 10 1HE LYS 10 -5.948 9.221 7.535 87 1HZ LYS 10 1HZ LYS 10 -4.979 8.449 9.673 88 2HZ LYS 10 2HZ LYS 10 -5.576 6.894 9.351 89 3HZ LYS 10 3HZ LYS 10 -6.651 8.194 9.564 90 H ASN 11 H ASN 11 -4.771 2.694 4.017 91 HA ASN 11 HA ASN 11 -3.403 1.362 6.319 92 1HB ASN 11 2HB ASN 11 -5.200 -0.394 6.215 93 2HB ASN 11 1HB ASN 11 -5.786 1.183 6.728 94 1HD2 ASN 11 1HD2 ASN 11 -6.244 -1.308 4.409 95 2HD2 ASN 11 2HD2 ASN 11 -7.306 -0.475 3.390 96 H LYS 12 H LYS 12 -2.560 -0.766 5.799 97 HA LYS 12 HA LYS 12 -1.145 -0.985 3.347 98 1HB LYS 12 2HB LYS 12 -0.435 -2.090 5.360 99 2HB LYS 12 1HB LYS 12 -1.969 -2.942 5.514 100 1HG LYS 12 2HG LYS 12 -1.449 -4.464 3.823 101 2HG LYS 12 1HG LYS 12 -0.292 -3.374 3.060 102 1HD LYS 12 2HD LYS 12 1.211 -4.785 4.090 103 2HD LYS 12 1HD LYS 12 0.946 -3.663 5.424 104 1HE LYS 12 2HE LYS 12 -1.132 -5.643 5.532 105 2HE LYS 12 1HE LYS 12 0.423 -6.481 5.373 106 1HZ LYS 12 1HZ LYS 12 -0.194 -5.867 7.708 107 2HZ LYS 12 2HZ LYS 12 -0.017 -4.234 7.270 108 3HZ LYS 12 3HZ LYS 12 1.310 -5.290 7.198 109 H LYS 13 H LYS 13 -4.340 -2.286 4.215 110 HA LYS 13 HA LYS 13 -4.526 -3.863 1.733 111 1HB LYS 13 2HB LYS 13 -5.651 -3.950 4.245 112 2HB LYS 13 1HB LYS 13 -6.958 -3.262 3.280 113 1HG LYS 13 2HG LYS 13 -6.288 -5.209 1.600 114 2HG LYS 13 1HG LYS 13 -5.671 -5.960 3.072 115 1HD LYS 13 2HD LYS 13 -8.211 -4.920 3.751 116 2HD LYS 13 1HD LYS 13 -8.413 -5.694 2.177 117 1HE LYS 13 2HE LYS 13 -7.250 -7.740 3.116 118 2HE LYS 13 1HE LYS 13 -7.313 -6.965 4.712 119 1HZ LYS 13 1HZ LYS 13 -9.717 -6.709 4.443 120 2HZ LYS 13 2HZ LYS 13 -9.270 -8.344 4.355 121 3HZ LYS 13 3HZ LYS 13 -9.645 -7.494 2.938 122 H GLU 14 H GLU 14 -4.384 -0.682 1.897 123 HA GLU 14 HA GLU 14 -6.909 0.045 0.558 124 1HB GLU 14 2HB GLU 14 -5.810 1.383 2.358 125 2HB GLU 14 1HB GLU 14 -4.425 1.621 1.294 126 1HG GLU 14 2HG GLU 14 -5.469 3.397 0.437 127 2HG GLU 14 1HG GLU 14 -6.685 2.318 -0.224 128 H CYS 15 H CYS 15 -3.563 -0.720 -0.260 129 HA CYS 15 HA CYS 15 -4.089 0.293 -3.038 130 1HB CYS 15 2HB CYS 15 -1.502 -0.091 -3.168 131 2HB CYS 15 1HB CYS 15 -2.129 1.317 -2.320 132 H CYS 16 H CYS 16 -3.690 -1.043 -4.830 133 HA CYS 16 HA CYS 16 -4.281 -3.860 -4.497 134 1HB CYS 16 2HB CYS 16 -3.552 -1.994 -6.746 135 2HB CYS 16 1HB CYS 16 -3.607 -3.729 -7.045 136 H GLY 17 H GLY 17 -2.835 -5.652 -5.075 137 1HA GLY 17 2HA GLY 17 -0.764 -6.781 -5.120 138 2HA GLY 17 1HA GLY 17 -0.030 -5.254 -5.634 139 H TRP 18 H TRP 18 -1.665 -6.502 -2.724 140 HA TRP 18 HA TRP 18 -1.240 -5.397 -0.529 141 1HB TRP 18 2HB TRP 18 0.120 -7.933 -1.337 142 2HB TRP 18 1HB TRP 18 0.371 -7.327 0.300 143 HD1 TRP 18 HD TRP 18 -2.503 -6.111 0.833 144 HE1 TRP 18 1HE TRP 18 -4.513 -7.693 1.159 145 HE3 TRP 18 3HE TRP 18 -0.706 -10.335 -1.436 146 HZ2 TRP 18 2HZ TRP 18 -5.257 -10.387 0.541 147 HZ3 TRP 18 3HZ TRP 18 -2.091 -12.381 -1.547 148 HH2 TRP 18 HH TRP 18 -4.355 -12.414 -0.565 149 H ASN 19 H ASN 19 -0.192 -3.430 -0.540 150 HA ASN 19 HA ASN 19 2.813 -3.475 -0.386 151 1HB ASN 19 2HB ASN 19 1.910 -2.440 -2.453 152 2HB ASN 19 1HB ASN 19 0.927 -1.353 -1.470 153 1HD2 ASN 19 1HD2 ASN 19 4.136 -1.843 -2.766 154 2HD2 ASN 19 2HD2 ASN 19 4.835 -0.476 -2.047 155 H ALA 20 H ALA 20 3.634 -1.737 1.103 156 HA ALA 20 HA ALA 20 1.870 -1.541 3.473 157 1HB ALA 20 1HB ALA 20 4.765 -0.812 2.979 158 2HB ALA 20 2HB ALA 20 4.189 -2.342 3.646 159 3HB ALA 20 3HB ALA 20 3.979 -0.846 4.556 160 H CYS 21 H CYS 21 0.656 0.247 3.788 161 HA CYS 21 HA CYS 21 1.203 2.782 2.399 162 1HB CYS 21 2HB CYS 21 -1.084 1.721 3.014 163 2HB CYS 21 1HB CYS 21 -0.748 2.238 4.663 164 H ALA 22 H ALA 22 3.348 3.155 3.282 165 HA ALA 22 HA ALA 22 3.567 3.453 6.226 166 1HB ALA 22 1HB ALA 22 6.028 3.631 5.568 167 2HB ALA 22 2HB ALA 22 5.509 3.346 3.904 168 3HB ALA 22 3HB ALA 22 5.232 2.116 5.140 169 H LEU 23 H LEU 23 5.409 5.348 3.869 170 HA LEU 23 HA LEU 23 5.275 7.740 5.480 171 1HB LEU 23 2HB LEU 23 6.273 7.003 2.723 172 2HB LEU 23 1HB LEU 23 6.384 8.656 3.306 173 HG LEU 23 HG LEU 23 8.048 8.152 4.824 174 1HD1 LEU 23 1HD1 LEU 23 8.280 6.101 6.061 175 2HD1 LEU 23 2HD1 LEU 23 7.156 5.260 4.995 176 3HD1 LEU 23 3HD1 LEU 23 6.568 6.522 6.078 177 1HD2 LEU 23 1HD2 LEU 23 8.597 5.616 3.351 178 2HD2 LEU 23 2HD2 LEU 23 9.660 6.989 3.672 179 3HD2 LEU 23 3HD2 LEU 23 8.459 7.088 2.387 180 H GLY 24 H GLY 24 2.629 7.283 5.189 181 1HA GLY 24 2HA GLY 24 0.686 8.515 4.661 182 2HA GLY 24 1HA GLY 24 1.691 9.635 3.747 183 H ILE 25 H ILE 25 2.442 6.589 2.622 184 HA ILE 25 HA ILE 25 0.181 6.332 0.725 185 HB ILE 25 HB ILE 25 2.751 6.356 -0.657 186 1HG1 ILE 25 2HG1 ILE 25 1.799 8.997 0.490 187 2HG1 ILE 25 1HG1 ILE 25 3.263 8.156 0.997 188 1HG2 ILE 25 1HG2 ILE 25 0.547 6.355 -1.734 189 2HG2 ILE 25 2HG2 ILE 25 1.541 7.724 -2.235 190 3HG2 ILE 25 3HG2 ILE 25 0.240 7.961 -1.069 191 1HD1 ILE 25 1HD1 ILE 25 3.430 10.026 -0.840 192 2HD1 ILE 25 2HD1 ILE 25 2.826 8.763 -1.913 193 3HD1 ILE 25 3HD1 ILE 25 4.343 8.530 -1.045 194 H CYS 26 H CYS 26 0.893 4.414 -0.903 195 HA CYS 26 HA CYS 26 1.897 2.230 0.842 196 1HB CYS 26 2HB CYS 26 0.550 2.490 -1.834 197 2HB CYS 26 1HB CYS 26 1.339 0.976 -1.409 198 H MET 27 H MET 27 4.095 1.802 0.862 199 HA MET 27 HA MET 27 5.588 2.168 -1.682 200 1HB MET 27 2HB MET 27 5.857 3.738 0.861 201 2HB MET 27 1HB MET 27 7.264 3.529 -0.173 202 1HG MET 27 2HG MET 27 6.029 4.528 -2.060 203 2HG MET 27 1HG MET 27 4.586 4.645 -1.061 204 1HE MET 27 1HE MET 27 4.985 7.399 1.286 205 2HE MET 27 2HE MET 27 5.370 5.747 1.760 206 3HE MET 27 3HE MET 27 4.072 6.046 0.609 207 HA PRO 28 HA PRO 28 8.623 -0.269 0.940 208 1HB PRO 28 2HB PRO 28 8.690 -0.042 3.657 209 2HB PRO 28 1HB PRO 28 9.495 1.121 2.582 210 1HG PRO 28 2HG PRO 28 6.920 1.365 4.037 211 2HG PRO 28 1HG PRO 28 8.159 2.580 3.705 212 1HD PRO 28 2HD PRO 28 5.807 2.350 2.314 213 2HD PRO 28 1HD PRO 28 7.284 3.108 1.681 214 H ARG 29 HN ARG 29 6.835 -1.802 0.226 215 HA ARG 29 HA ARG 29 4.941 -2.944 2.053 216 1HB ARG 29 2HB ARG 29 4.813 -4.709 0.345 217 2HB ARG 29 1HB ARG 29 4.881 -3.125 -0.424 218 1HG ARG 29 2HG ARG 29 7.569 -4.020 -0.039 219 2HG ARG 29 1HG ARG 29 6.660 -5.348 -0.757 220 1HD ARG 29 2HD ARG 29 6.319 -2.578 -1.877 221 2HD ARG 29 1HD ARG 29 7.743 -3.536 -2.331 222 HE ARG 29 HE ARG 29 5.315 -5.122 -2.481 223 1HH1 ARG 29 1HH2 ARG 29 7.186 -2.709 -4.128 224 2HH1 ARG 29 2HH2 ARG 29 6.670 -3.200 -5.702 225 1HH2 ARG 29 1HH1 ARG 29 4.641 -5.760 -4.531 226 2HH2 ARG 29 2HH1 ARG 29 5.196 -4.900 -5.925
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