NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
1947 | 1b9q | 4481 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 1H CYS 1 -21.177 6.548 5.178 2 2H CYS 1 2H CYS 1 -22.775 7.101 5.003 3 3H CYS 1 3H CYS 1 -22.371 6.073 6.285 4 HA CYS 1 HA CYS 1 -23.534 4.829 4.556 5 1HB CYS 1 1HB CYS 1 -21.347 6.126 2.935 6 2HB CYS 1 2HB CYS 1 -22.103 4.636 2.381 7 HG CYS 1 HG CYS 1 -23.592 6.485 1.402 8 H ALA 2 H ALA 2 -22.975 2.594 4.311 9 HA ALA 2 HA ALA 2 -20.634 1.712 5.872 10 1HB ALA 2 1HB ALA 2 -22.971 0.305 4.541 11 2HB ALA 2 2HB ALA 2 -21.736 -0.537 5.474 12 3HB ALA 2 3HB ALA 2 -22.776 0.652 6.259 13 H VAL 3 H VAL 3 -19.175 2.689 4.167 14 HA VAL 3 HA VAL 3 -18.956 1.342 1.584 15 HB VAL 3 HB VAL 3 -17.053 2.818 1.225 16 1HG1 VAL 3 1HG1 VAL 3 -19.448 3.648 1.071 17 2HG1 VAL 3 2HG1 VAL 3 -19.183 4.422 2.634 18 3HG1 VAL 3 3HG1 VAL 3 -18.204 4.886 1.242 19 1HG2 VAL 3 1HG2 VAL 3 -17.362 3.438 4.178 20 2HG2 VAL 3 2HG2 VAL 3 -15.926 2.865 3.332 21 3HG2 VAL 3 3HG2 VAL 3 -16.509 4.507 3.068 22 H GLU 4 H GLU 4 -17.403 0.917 4.725 23 HA GLU 4 HA GLU 4 -15.821 -1.320 3.531 24 1HB GLU 4 1HB GLU 4 -14.009 -0.721 5.068 25 2HB GLU 4 2HB GLU 4 -14.377 0.602 3.969 26 1HG GLU 4 1HG GLU 4 -15.289 1.919 5.661 27 2HG GLU 4 2HG GLU 4 -15.722 0.528 6.656 28 H LEU 5 H LEU 5 -18.394 -1.535 4.722 29 HA LEU 5 HA LEU 5 -17.923 -2.782 7.391 30 1HB LEU 5 1HB LEU 5 -19.750 -1.006 6.813 31 2HB LEU 5 2HB LEU 5 -20.583 -2.342 6.024 32 HG LEU 5 HG LEU 5 -20.109 -3.577 8.322 33 1HD1 LEU 5 1HD1 LEU 5 -20.022 -0.633 9.039 34 2HD1 LEU 5 2HD1 LEU 5 -20.334 -1.919 10.204 35 3HD1 LEU 5 3HD1 LEU 5 -18.784 -1.846 9.365 36 1HD2 LEU 5 1HD2 LEU 5 -22.349 -3.060 7.371 37 2HD2 LEU 5 2HD2 LEU 5 -22.311 -2.819 9.116 38 3HD2 LEU 5 3HD2 LEU 5 -22.240 -1.429 8.034 39 H ARG 6 H ARG 6 -19.703 -3.452 4.349 40 HA ARG 6 HA ARG 6 -19.309 -6.384 4.812 41 1HB ARG 6 1HB ARG 6 -21.630 -5.150 4.608 42 2HB ARG 6 2HB ARG 6 -21.286 -5.200 2.879 43 1HG ARG 6 1HG ARG 6 -20.676 -7.779 3.897 44 2HG ARG 6 2HG ARG 6 -22.221 -7.315 4.599 45 1HD ARG 6 1HD ARG 6 -22.786 -8.370 2.542 46 2HD ARG 6 2HD ARG 6 -22.902 -6.638 2.184 47 HE ARG 6 HE ARG 6 -20.824 -6.761 0.973 48 1HH1 ARG 6 1HH2 ARG 6 -22.306 -9.484 0.385 49 2HH1 ARG 6 2HH2 ARG 6 -20.947 -10.552 0.384 50 1HH2 ARG 6 1HH1 ARG 6 -18.812 -8.213 1.871 51 2HH2 ARG 6 2HH1 ARG 6 -18.933 -9.821 1.241 52 H SER 7 H SER 7 -19.290 -3.885 2.223 53 HA SER 7 HA SER 7 -17.325 -5.574 0.710 54 1HB SER 7 1HB SER 7 -19.673 -3.933 -0.304 55 2HB SER 7 2HB SER 7 -18.466 -4.684 -1.336 56 HG SER 7 HG SER 7 -19.632 -6.431 -1.151 57 HA PRO 8 HA PRO 8 -15.394 -1.506 1.373 58 1HB PRO 8 1HB PRO 8 -12.816 -2.388 1.392 59 2HB PRO 8 2HB PRO 8 -13.879 -2.446 2.813 60 1HG PRO 8 1HG PRO 8 -13.009 -4.614 1.028 61 2HG PRO 8 2HG PRO 8 -13.458 -4.659 2.738 62 1HD PRO 8 1HD PRO 8 -15.048 -5.468 0.598 63 2HD PRO 8 2HD PRO 8 -15.593 -5.179 2.264 64 H GLY 9 H GLY 9 -16.200 -1.009 -0.815 65 1HA GLY 9 1HA GLY 9 -14.820 -1.815 -3.207 66 2HA GLY 9 2HA GLY 9 -15.938 -0.458 -3.076 67 H ILE 10 H ILE 10 -13.093 -0.884 -4.222 68 HA ILE 10 HA ILE 10 -11.336 0.511 -4.774 69 HB ILE 10 HB ILE 10 -12.500 2.462 -2.772 70 1HG1 ILE 10 1HG1 ILE 10 -12.844 3.043 -5.632 71 2HG1 ILE 10 2HG1 ILE 10 -13.738 1.610 -5.106 72 1HG2 ILE 10 1HG2 ILE 10 -10.089 2.758 -3.546 73 2HG2 ILE 10 2HG2 ILE 10 -10.754 3.068 -5.151 74 3HG2 ILE 10 3HG2 ILE 10 -11.174 4.123 -3.802 75 1HD1 ILE 10 1HD1 ILE 10 -13.826 4.302 -3.719 76 2HD1 ILE 10 2HD1 ILE 10 -15.077 3.679 -4.797 77 3HD1 ILE 10 3HD1 ILE 10 -14.744 2.868 -3.265 78 H SER 11 H SER 11 -12.039 0.520 -1.268 79 HA SER 11 HA SER 11 -9.468 0.982 -0.301 80 1HB SER 11 1HB SER 11 -11.820 0.585 0.861 81 2HB SER 11 2HB SER 11 -11.182 -1.037 1.080 82 HG SER 11 HG SER 11 -9.360 -0.073 2.101 83 H ARG 12 H ARG 12 -10.776 -2.155 -1.411 84 HA ARG 12 HA ARG 12 -8.500 -3.717 -0.537 85 1HB ARG 12 1HB ARG 12 -10.942 -4.375 -1.263 86 2HB ARG 12 2HB ARG 12 -10.241 -4.455 -2.877 87 1HG ARG 12 1HG ARG 12 -8.484 -5.795 -1.033 88 2HG ARG 12 2HG ARG 12 -10.116 -6.417 -0.819 89 1HD ARG 12 1HD ARG 12 -9.452 -6.111 -3.651 90 2HD ARG 12 2HD ARG 12 -8.330 -7.201 -2.817 91 HE ARG 12 HE ARG 12 -11.305 -7.531 -2.700 92 1HH1 ARG 12 1HH1 ARG 12 -9.717 -9.032 -0.669 93 2HH1 ARG 12 2HH1 ARG 12 -9.460 -10.557 -1.441 94 1HH2 ARG 12 1HH2 ARG 12 -10.274 -9.355 -4.620 95 2HH2 ARG 12 2HH2 ARG 12 -9.780 -10.743 -3.715 96 H PHE 13 H PHE 13 -9.087 -1.714 -3.375 97 HA PHE 13 HA PHE 13 -6.671 -2.781 -4.722 98 1HB PHE 13 1HB PHE 13 -7.990 -2.585 -6.514 99 2HB PHE 13 2HB PHE 13 -9.268 -1.957 -5.504 100 HD1 PHE 13 HD1 PHE 13 -9.493 0.539 -5.215 101 HD2 PHE 13 HD2 PHE 13 -6.764 -1.203 -8.033 102 HE1 PHE 13 HE1 PHE 13 -9.339 2.707 -6.400 103 HE2 PHE 13 HE2 PHE 13 -6.612 0.970 -9.221 104 HZ PHE 13 HZ PHE 13 -7.907 2.926 -8.395 105 H ARG 14 H ARG 14 -7.857 0.160 -3.108 106 HA ARG 14 HA ARG 14 -5.855 1.963 -4.052 107 1HB ARG 14 1HB ARG 14 -6.590 3.392 -2.315 108 2HB ARG 14 2HB ARG 14 -8.008 2.437 -2.726 109 1HG ARG 14 1HG ARG 14 -7.707 1.038 -0.784 110 2HG ARG 14 2HG ARG 14 -6.132 1.741 -0.449 111 1HD ARG 14 1HD ARG 14 -7.780 3.970 -0.460 112 2HD ARG 14 2HD ARG 14 -8.795 2.722 0.292 113 HE ARG 14 HE ARG 14 -7.073 2.371 1.979 114 1HH1 ARG 14 1HH2 ARG 14 -7.518 5.445 1.732 115 2HH1 ARG 14 2HH2 ARG 14 -5.888 6.003 1.864 116 1HH2 ARG 14 1HH1 ARG 14 -4.505 2.841 1.298 117 2HH2 ARG 14 2HH1 ARG 14 -4.150 4.503 1.614 118 H ARG 15 H ARG 15 -5.830 -0.359 -1.366 119 HA ARG 15 HA ARG 15 -3.296 0.420 -0.240 120 1HB ARG 15 1HB ARG 15 -5.096 -1.992 -0.120 121 2HB ARG 15 2HB ARG 15 -3.498 -2.052 0.622 122 1HG ARG 15 1HG ARG 15 -4.040 0.018 1.896 123 2HG ARG 15 2HG ARG 15 -5.674 -0.031 1.231 124 1HD ARG 15 1HD ARG 15 -6.209 -2.037 2.376 125 2HD ARG 15 2HD ARG 15 -4.508 -2.389 2.726 126 HE ARG 15 HE ARG 15 -4.830 0.028 3.976 127 1HH1 ARG 15 1HH2 ARG 15 -4.562 -2.342 5.670 128 2HH1 ARG 15 2HH2 ARG 15 -6.063 -2.399 6.526 129 1HH2 ARG 15 1HH1 ARG 15 -7.686 -0.249 4.283 130 2HH2 ARG 15 2HH1 ARG 15 -7.871 -1.186 5.722 131 H LYS 16 H LYS 16 -4.212 -1.849 -2.838 132 HA LYS 16 HA LYS 16 -1.629 -3.081 -3.133 133 1HB LYS 16 1HB LYS 16 -4.164 -3.372 -4.234 134 2HB LYS 16 2HB LYS 16 -3.233 -2.739 -5.588 135 1HG LYS 16 1HG LYS 16 -2.040 -4.956 -3.967 136 2HG LYS 16 2HG LYS 16 -3.339 -5.348 -5.088 137 1HD LYS 16 1HD LYS 16 -1.104 -3.634 -6.095 138 2HD LYS 16 2HD LYS 16 -0.787 -5.352 -5.855 139 1HE LYS 16 1HE LYS 16 -3.039 -5.685 -7.178 140 2HE LYS 16 2HE LYS 16 -2.715 -4.043 -7.761 141 1HZ LYS 16 1HZ LYS 16 -0.441 -4.788 -8.341 142 2HZ LYS 16 2HZ LYS 16 -0.885 -6.382 -7.940 143 3HZ LYS 16 3HZ LYS 16 -1.647 -5.579 -9.226 144 H ILE 17 H ILE 17 -3.056 -0.102 -4.448 145 HA ILE 17 HA ILE 17 -0.938 0.533 -6.311 146 HB ILE 17 HB ILE 17 -2.859 2.329 -4.767 147 1HG1 ILE 17 1HG1 ILE 17 -3.260 1.465 -7.625 148 2HG1 ILE 17 2HG1 ILE 17 -3.801 0.418 -6.313 149 1HG2 ILE 17 1HG2 ILE 17 -0.922 3.490 -5.878 150 2HG2 ILE 17 2HG2 ILE 17 -1.505 2.866 -7.421 151 3HG2 ILE 17 3HG2 ILE 17 -2.504 3.976 -6.485 152 1HD1 ILE 17 1HD1 ILE 17 -4.774 2.815 -5.463 153 2HD1 ILE 17 2HD1 ILE 17 -4.878 3.021 -7.212 154 3HD1 ILE 17 3HD1 ILE 17 -5.698 1.669 -6.431 155 H ALA 18 H ALA 18 -1.651 1.421 -2.931 156 HA ALA 18 HA ALA 18 0.687 3.022 -2.444 157 1HB ALA 18 1HB ALA 18 -1.267 1.506 -0.693 158 2HB ALA 18 2HB ALA 18 0.015 2.514 -0.024 159 3HB ALA 18 3HB ALA 18 -1.240 3.235 -1.031 160 H LYS 19 H LYS 19 0.022 -0.478 -1.938 161 HA LYS 19 HA LYS 19 2.463 -1.132 -0.603 162 1HB LYS 19 1HB LYS 19 0.397 -2.584 -2.224 163 2HB LYS 19 2HB LYS 19 1.899 -3.422 -1.830 164 1HG LYS 19 1HG LYS 19 1.545 -2.829 0.576 165 2HG LYS 19 2HG LYS 19 -0.025 -2.157 0.138 166 1HD LYS 19 1HD LYS 19 -0.818 -4.309 -0.610 167 2HD LYS 19 2HD LYS 19 0.786 -5.020 -0.435 168 1HE LYS 19 1HE LYS 19 0.565 -5.289 1.822 169 2HE LYS 19 2HE LYS 19 -0.262 -3.735 2.027 170 1HZ LYS 19 1HZ LYS 19 -2.247 -4.723 0.994 171 2HZ LYS 19 2HZ LYS 19 -1.460 -6.224 0.923 172 3HZ LYS 19 3HZ LYS 19 -1.804 -5.515 2.428 173 H ARG 20 H ARG 20 1.803 -0.455 -3.996 174 HA ARG 20 HA ARG 20 4.281 -1.640 -5.009 175 1HB ARG 20 1HB ARG 20 2.117 -1.467 -6.258 176 2HB ARG 20 2HB ARG 20 2.288 0.287 -6.248 177 1HG ARG 20 1HG ARG 20 4.519 -0.017 -7.403 178 2HG ARG 20 2HG ARG 20 4.114 -1.722 -7.590 179 1HD ARG 20 1HD ARG 20 2.985 -1.192 -9.474 180 2HD ARG 20 2HD ARG 20 1.835 -0.282 -8.481 181 HE ARG 20 HE ARG 20 4.285 1.218 -9.016 182 1HH1 ARG 20 1HH1 ARG 20 1.546 2.422 -8.723 183 2HH1 ARG 20 2HH1 ARG 20 1.179 2.888 -10.348 184 1HH2 ARG 20 1HH2 ARG 20 3.674 0.882 -11.745 185 2HH2 ARG 20 2HH2 ARG 20 2.403 2.003 -12.084 186 H SER 21 H SER 21 3.079 1.647 -4.205 187 HA SER 21 HA SER 21 5.537 2.986 -5.067 188 1HB SER 21 1HB SER 21 3.069 3.824 -4.945 189 2HB SER 21 2HB SER 21 3.424 4.121 -3.249 190 HG SER 21 HG SER 21 5.142 5.467 -3.935 191 H ILE 22 H ILE 22 4.023 2.319 -1.885 192 HA ILE 22 HA ILE 22 6.039 3.432 -0.234 193 HB ILE 22 HB ILE 22 3.937 1.298 0.106 194 1HG1 ILE 22 1HG1 ILE 22 4.321 3.996 1.428 195 2HG1 ILE 22 2HG1 ILE 22 3.419 3.771 -0.069 196 1HG2 ILE 22 1HG2 ILE 22 6.070 2.106 2.079 197 2HG2 ILE 22 2HG2 ILE 22 4.475 1.609 2.637 198 3HG2 ILE 22 3HG2 ILE 22 5.467 0.493 1.701 199 1HD1 ILE 22 1HD1 ILE 22 1.947 2.133 1.134 200 2HD1 ILE 22 2HD1 ILE 22 2.784 2.546 2.630 201 3HD1 ILE 22 3HD1 ILE 22 1.845 3.772 1.778 202 H LYS 23 H LYS 23 5.897 0.143 -1.667 203 HA LYS 23 HA LYS 23 8.075 -1.008 -0.246 204 1HB LYS 23 1HB LYS 23 6.422 -2.066 -1.914 205 2HB LYS 23 2HB LYS 23 7.492 -1.462 -3.182 206 1HG LYS 23 1HG LYS 23 9.364 -2.630 -1.729 207 2HG LYS 23 2HG LYS 23 8.010 -3.568 -1.109 208 1HD LYS 23 1HD LYS 23 8.459 -4.895 -2.905 209 2HD LYS 23 2HD LYS 23 7.482 -3.706 -3.763 210 1HE LYS 23 1HE LYS 23 10.051 -2.577 -3.721 211 2HE LYS 23 2HE LYS 23 10.324 -4.295 -4.057 212 1HZ LYS 23 1HZ LYS 23 8.639 -4.203 -5.785 213 2HZ LYS 23 2HZ LYS 23 8.375 -2.550 -5.478 214 3HZ LYS 23 3HZ LYS 23 9.867 -3.080 -6.095 215 H THR 24 H THR 24 8.051 1.046 -3.172 216 HA THR 24 HA THR 24 10.877 0.947 -3.715 217 HB THR 24 HB THR 24 8.986 3.250 -4.281 218 HG1 THR 24 HG1 THR 24 9.276 0.799 -5.695 219 1HG2 THR 24 1HG2 THR 24 11.358 3.579 -4.871 220 2HG2 THR 24 2HG2 THR 24 11.314 2.110 -5.849 221 3HG2 THR 24 3HG2 THR 24 10.334 3.504 -6.305 222 H LEU 25 H LEU 25 8.858 3.055 -1.667 223 HA LEU 25 HA LEU 25 10.866 4.967 -0.929 224 1HB LEU 25 1HB LEU 25 8.166 4.609 -0.533 225 2HB LEU 25 2HB LEU 25 8.792 4.218 1.061 226 HG LEU 25 HG LEU 25 8.209 6.594 0.862 227 1HD1 LEU 25 1HD1 LEU 25 10.152 5.784 2.290 228 2HD1 LEU 25 2HD1 LEU 25 11.219 6.337 1.001 229 3HD1 LEU 25 3HD1 LEU 25 10.189 7.490 1.847 230 1HD2 LEU 25 1HD2 LEU 25 9.001 6.521 -1.683 231 2HD2 LEU 25 2HD2 LEU 25 9.045 8.021 -0.756 232 3HD2 LEU 25 3HD2 LEU 25 10.518 7.079 -0.980 233 H GLU 26 H GLU 26 9.744 1.932 0.571 234 HA GLU 26 HA GLU 26 11.472 1.881 2.856 235 1HB GLU 26 1HB GLU 26 9.711 0.063 1.338 236 2HB GLU 26 2HB GLU 26 11.042 -0.755 2.151 237 1HG GLU 26 1HG GLU 26 10.106 -0.470 4.174 238 2HG GLU 26 2HG GLU 26 9.810 1.241 3.879 239 H HIS 27 H HIS 27 11.860 0.614 -0.456 240 HA HIS 27 HA HIS 27 14.560 -0.430 0.099 241 1HB HIS 27 1HB HIS 27 12.754 -0.302 -2.333 242 2HB HIS 27 2HB HIS 27 14.377 -0.980 -2.390 243 HD1 HIS 27 HD1 HIS 27 11.054 -1.506 -0.614 244 HD2 HIS 27 HD2 HIS 27 14.557 -3.608 -1.458 245 HE1 HIS 27 HE1 HIS 27 10.660 -3.889 0.143 246 H LYS 28 H LYS 28 14.646 2.234 0.683 247 HA LYS 28 HA LYS 28 16.172 3.413 -1.598 248 1HB LYS 28 1HB LYS 28 13.697 4.243 -0.889 249 2HB LYS 28 2HB LYS 28 14.640 5.206 0.244 250 1HG LYS 28 1HG LYS 28 15.208 5.103 -2.730 251 2HG LYS 28 2HG LYS 28 14.179 6.320 -1.977 252 1HD LYS 28 1HD LYS 28 16.026 7.082 -0.579 253 2HD LYS 28 2HD LYS 28 17.070 5.811 -1.217 254 1HE LYS 28 1HE LYS 28 16.223 6.999 -3.540 255 2HE LYS 28 2HE LYS 28 16.300 8.390 -2.444 256 1HZ LYS 28 1HZ LYS 28 18.528 7.654 -1.761 257 2HZ LYS 28 2HZ LYS 28 18.465 6.406 -2.916 258 3HZ LYS 28 3HZ LYS 28 18.456 8.022 -3.417 259 H ARG 29 H ARG 29 15.480 4.337 1.824 260 HA ARG 29 HA ARG 29 18.341 4.868 2.221 261 1HB ARG 29 1HB ARG 29 17.624 5.794 4.350 262 2HB ARG 29 2HB ARG 29 16.559 6.366 3.078 263 1HG ARG 29 1HG ARG 29 14.809 5.610 4.262 264 2HG ARG 29 2HG ARG 29 15.399 3.965 4.049 265 1HD ARG 29 1HD ARG 29 16.216 3.847 6.176 266 2HD ARG 29 2HD ARG 29 16.805 5.518 6.151 267 HE ARG 29 HE ARG 29 14.706 6.242 6.972 268 1HH1 ARG 29 1HH2 ARG 29 14.542 3.556 8.320 269 2HH1 ARG 29 2HH2 ARG 29 12.986 2.991 7.818 270 1HH2 ARG 29 1HH1 ARG 29 12.696 5.302 5.227 271 2HH2 ARG 29 2HH1 ARG 29 11.930 3.997 6.059 272 H GLU 30 H GLU 30 16.141 2.218 2.860 273 HA GLU 30 HA GLU 30 18.026 0.972 4.789 274 1HB GLU 30 1HB GLU 30 15.255 0.285 3.775 275 2HB GLU 30 2HB GLU 30 16.166 -0.759 4.862 276 1HG GLU 30 1HG GLU 30 15.762 0.557 6.658 277 2HG GLU 30 2HG GLU 30 16.095 2.035 5.759 278 H ASN 31 H ASN 31 17.583 1.058 1.389 279 HA ASN 31 HA ASN 31 18.801 -1.660 1.070 280 1HB ASN 31 1HB ASN 31 16.446 -0.762 0.096 281 2HB ASN 31 2HB ASN 31 17.508 -0.215 -1.199 282 1HD2 ASN 31 2HD2 ASN 31 18.868 -1.947 -2.288 283 2HD2 ASN 31 1HD2 ASN 31 18.311 -3.552 -2.270 284 H ALA 32 H ALA 32 20.441 0.557 1.782 285 HA ALA 32 HA ALA 32 22.183 0.770 -0.613 286 1HB ALA 32 1HB ALA 32 20.924 3.089 0.872 287 2HB ALA 32 2HB ALA 32 22.269 3.267 -0.255 288 3HB ALA 32 3HB ALA 32 20.712 2.668 -0.826 289 H LYS 33 H LYS 33 24.343 0.842 -0.016 290 HA LYS 33 HA LYS 33 26.246 0.685 1.299 291 1HB LYS 33 1HB LYS 33 24.660 2.714 2.906 292 2HB LYS 33 2HB LYS 33 26.390 2.441 3.056 293 1HG LYS 33 1HG LYS 33 25.081 3.211 0.436 294 2HG LYS 33 2HG LYS 33 25.692 4.397 1.583 295 1HD LYS 33 1HD LYS 33 27.696 4.172 0.588 296 2HD LYS 33 2HD LYS 33 27.795 2.577 1.332 297 1HE LYS 33 1HE LYS 33 26.673 1.586 -0.651 298 2HE LYS 33 2HE LYS 33 26.629 3.187 -1.411 299 1HZ LYS 33 1HZ LYS 33 29.044 3.319 -1.189 300 2HZ LYS 33 2HZ LYS 33 29.080 1.758 -0.513 301 3HZ LYS 33 3HZ LYS 33 28.589 1.983 -2.122 302 H GLU 34 H GLU 34 25.409 1.234 4.482 303 HA GLU 34 HA GLU 34 24.396 -1.484 5.054 304 1HB GLU 34 1HB GLU 34 26.865 -1.611 4.716 305 2HB GLU 34 2HB GLU 34 27.077 -0.439 6.013 306 1HG GLU 34 1HG GLU 34 25.376 -2.700 6.790 307 2HG GLU 34 2HG GLU 34 27.004 -3.191 6.327 Start of MODEL 2 1 1H CYS 1 1H CYS 1 -24.297 -8.459 2.359 2 2H CYS 1 2H CYS 1 -25.497 -9.360 1.559 3 3H CYS 1 3H CYS 1 -25.168 -7.772 1.075 4 HA CYS 1 HA CYS 1 -27.161 -7.649 2.328 5 1HB CYS 1 1HB CYS 1 -25.642 -9.644 3.955 6 2HB CYS 1 2HB CYS 1 -26.782 -8.609 4.812 7 HG CYS 1 HG CYS 1 -27.579 -10.945 3.150 8 H ALA 2 H ALA 2 -27.050 -5.478 2.697 9 HA ALA 2 HA ALA 2 -26.393 -3.377 3.521 10 1HB ALA 2 1HB ALA 2 -27.348 -4.509 5.484 11 2HB ALA 2 2HB ALA 2 -25.752 -5.139 5.893 12 3HB ALA 2 3HB ALA 2 -26.052 -3.403 5.940 13 H VAL 3 H VAL 3 -24.211 -4.935 2.108 14 HA VAL 3 HA VAL 3 -21.905 -4.984 1.785 15 HB VAL 3 HB VAL 3 -20.986 -2.805 1.607 16 1HG1 VAL 3 1HG1 VAL 3 -23.064 -3.474 0.196 17 2HG1 VAL 3 2HG1 VAL 3 -23.906 -2.259 1.159 18 3HG1 VAL 3 3HG1 VAL 3 -22.521 -1.797 0.170 19 1HG2 VAL 3 1HG2 VAL 3 -21.680 -2.087 3.944 20 2HG2 VAL 3 2HG2 VAL 3 -21.823 -0.847 2.703 21 3HG2 VAL 3 3HG2 VAL 3 -23.260 -1.700 3.269 22 H GLU 4 H GLU 4 -22.744 -5.600 4.639 23 HA GLU 4 HA GLU 4 -21.785 -6.092 6.652 24 1HB GLU 4 1HB GLU 4 -19.514 -5.972 4.730 25 2HB GLU 4 2HB GLU 4 -19.117 -6.062 6.445 26 1HG GLU 4 1HG GLU 4 -21.150 -7.929 5.236 27 2HG GLU 4 2HG GLU 4 -19.424 -8.292 5.163 28 H LEU 5 H LEU 5 -22.078 -3.105 5.705 29 HA LEU 5 HA LEU 5 -21.759 -0.991 6.546 30 1HB LEU 5 1HB LEU 5 -21.566 -2.676 9.051 31 2HB LEU 5 2HB LEU 5 -21.902 -0.944 9.028 32 HG LEU 5 HG LEU 5 -23.583 -2.907 7.459 33 1HD1 LEU 5 1HD1 LEU 5 -23.559 -3.499 9.906 34 2HD1 LEU 5 2HD1 LEU 5 -24.232 -1.899 10.230 35 3HD1 LEU 5 3HD1 LEU 5 -25.140 -3.059 9.260 36 1HD2 LEU 5 1HD2 LEU 5 -23.763 -0.502 6.888 37 2HD2 LEU 5 2HD2 LEU 5 -25.257 -1.113 7.596 38 3HD2 LEU 5 3HD2 LEU 5 -24.155 -0.139 8.570 39 H ARG 6 H ARG 6 -19.221 -2.661 5.879 40 HA ARG 6 HA ARG 6 -17.271 -0.635 6.567 41 1HB ARG 6 1HB ARG 6 -15.919 -2.015 8.030 42 2HB ARG 6 2HB ARG 6 -17.557 -1.918 8.657 43 1HG ARG 6 1HG ARG 6 -17.524 -4.164 8.774 44 2HG ARG 6 2HG ARG 6 -17.621 -4.169 7.016 45 1HD ARG 6 1HD ARG 6 -14.953 -3.776 7.312 46 2HD ARG 6 2HD ARG 6 -15.288 -4.723 8.776 47 HE ARG 6 HE ARG 6 -16.166 -5.639 6.061 48 1HH1 ARG 6 1HH2 ARG 6 -13.488 -6.523 7.182 49 2HH1 ARG 6 2HH2 ARG 6 -13.883 -8.055 7.876 50 1HH2 ARG 6 1HH1 ARG 6 -17.334 -7.445 7.823 51 2HH2 ARG 6 2HH1 ARG 6 -16.106 -8.586 8.245 52 H SER 7 H SER 7 -18.323 -2.277 4.141 53 HA SER 7 HA SER 7 -16.153 -3.963 3.263 54 1HB SER 7 1HB SER 7 -17.365 -3.667 1.021 55 2HB SER 7 2HB SER 7 -18.297 -4.347 2.340 56 HG SER 7 HG SER 7 -18.378 -1.771 1.183 57 HA PRO 8 HA PRO 8 -13.497 -0.614 1.975 58 1HB PRO 8 1HB PRO 8 -11.461 -2.120 0.983 59 2HB PRO 8 2HB PRO 8 -11.757 -1.869 2.715 60 1HG PRO 8 1HG PRO 8 -12.229 -4.243 1.060 61 2HG PRO 8 2HG PRO 8 -11.934 -4.106 2.798 62 1HD PRO 8 1HD PRO 8 -14.412 -4.520 1.536 63 2HD PRO 8 2HD PRO 8 -14.127 -4.159 3.252 64 H GLY 9 H GLY 9 -13.600 -3.279 -0.490 65 1HA GLY 9 1HA GLY 9 -13.856 -3.190 -2.813 66 2HA GLY 9 2HA GLY 9 -14.786 -1.713 -2.552 67 H ILE 10 H ILE 10 -13.872 0.214 -3.117 68 HA ILE 10 HA ILE 10 -11.534 0.390 -4.706 69 HB ILE 10 HB ILE 10 -13.517 1.917 -4.563 70 1HG1 ILE 10 1HG1 ILE 10 -11.198 2.423 -5.616 71 2HG1 ILE 10 2HG1 ILE 10 -12.368 3.717 -5.423 72 1HG2 ILE 10 1HG2 ILE 10 -12.142 2.954 -2.083 73 2HG2 ILE 10 2HG2 ILE 10 -13.413 3.812 -2.950 74 3HG2 ILE 10 3HG2 ILE 10 -13.757 2.253 -2.202 75 1HD1 ILE 10 1HD1 ILE 10 -10.622 3.438 -3.083 76 2HD1 ILE 10 2HD1 ILE 10 -9.726 3.760 -4.565 77 3HD1 ILE 10 3HD1 ILE 10 -10.993 4.868 -4.046 78 H SER 11 H SER 11 -11.936 0.704 -1.189 79 HA SER 11 HA SER 11 -9.352 1.801 -0.584 80 1HB SER 11 1HB SER 11 -10.905 -0.094 1.186 81 2HB SER 11 2HB SER 11 -9.896 1.260 1.660 82 HG SER 11 HG SER 11 -11.483 2.651 0.924 83 H ARG 12 H ARG 12 -10.491 -1.547 -1.049 84 HA ARG 12 HA ARG 12 -8.079 -2.891 -0.208 85 1HB ARG 12 1HB ARG 12 -10.649 -3.570 -1.177 86 2HB ARG 12 2HB ARG 12 -9.532 -4.199 -2.385 87 1HG ARG 12 1HG ARG 12 -8.305 -4.933 -0.026 88 2HG ARG 12 2HG ARG 12 -10.016 -5.100 0.370 89 1HD ARG 12 1HD ARG 12 -10.337 -6.500 -1.669 90 2HD ARG 12 2HD ARG 12 -8.595 -6.393 -1.988 91 HE ARG 12 HE ARG 12 -8.314 -7.394 0.365 92 1HH1 ARG 12 1HH1 ARG 12 -11.200 -7.577 1.063 93 2HH1 ARG 12 2HH1 ARG 12 -11.585 -9.211 0.646 94 1HH2 ARG 12 1HH2 ARG 12 -8.747 -9.635 -1.341 95 2HH2 ARG 12 2HH2 ARG 12 -10.179 -10.392 -0.736 96 H PHE 13 H PHE 13 -9.317 -1.696 -3.315 97 HA PHE 13 HA PHE 13 -7.119 -2.449 -4.992 98 1HB PHE 13 1HB PHE 13 -9.018 -1.902 -6.181 99 2HB PHE 13 2HB PHE 13 -9.522 -0.689 -5.024 100 HD1 PHE 13 HD1 PHE 13 -7.045 -1.334 -7.766 101 HD2 PHE 13 HD2 PHE 13 -9.232 1.586 -5.497 102 HE1 PHE 13 HE1 PHE 13 -6.263 0.448 -9.303 103 HE2 PHE 13 HE2 PHE 13 -8.449 3.368 -7.033 104 HZ PHE 13 HZ PHE 13 -6.966 2.798 -8.936 105 H ARG 14 H ARG 14 -7.798 0.455 -3.030 106 HA ARG 14 HA ARG 14 -5.576 2.075 -3.801 107 1HB ARG 14 1HB ARG 14 -7.455 1.863 -1.490 108 2HB ARG 14 2HB ARG 14 -5.979 2.791 -1.232 109 1HG ARG 14 1HG ARG 14 -6.526 4.024 -3.397 110 2HG ARG 14 2HG ARG 14 -8.116 3.262 -3.317 111 1HD ARG 14 1HD ARG 14 -8.792 4.534 -1.522 112 2HD ARG 14 2HD ARG 14 -7.164 4.619 -0.829 113 HE ARG 14 HE ARG 14 -8.133 6.302 -3.096 114 1HH1 ARG 14 1HH2 ARG 14 -7.327 7.400 -0.388 115 2HH1 ARG 14 2HH2 ARG 14 -5.734 7.990 -0.704 116 1HH2 ARG 14 1HH1 ARG 14 -5.404 6.203 -3.687 117 2HH2 ARG 14 2HH1 ARG 14 -4.626 7.299 -2.601 118 H ARG 15 H ARG 15 -5.871 -0.534 -1.392 119 HA ARG 15 HA ARG 15 -3.298 -0.235 -0.143 120 1HB ARG 15 1HB ARG 15 -5.302 -2.465 -0.472 121 2HB ARG 15 2HB ARG 15 -3.753 -2.773 0.307 122 1HG ARG 15 1HG ARG 15 -4.274 -1.548 2.158 123 2HG ARG 15 2HG ARG 15 -5.191 -0.355 1.239 124 1HD ARG 15 1HD ARG 15 -7.091 -1.870 1.060 125 2HD ARG 15 2HD ARG 15 -6.177 -3.161 1.870 126 HE ARG 15 HE ARG 15 -6.037 -1.677 3.871 127 1HH1 ARG 15 1HH1 ARG 15 -6.890 0.889 2.616 128 2HH1 ARG 15 2HH1 ARG 15 -8.539 1.021 3.118 129 1HH2 ARG 15 1HH2 ARG 15 -8.800 -2.347 3.997 130 2HH2 ARG 15 2HH2 ARG 15 -9.641 -0.842 3.899 131 H LYS 16 H LYS 16 -4.396 -2.029 -3.028 132 HA LYS 16 HA LYS 16 -1.915 -3.415 -3.524 133 1HB LYS 16 1HB LYS 16 -4.342 -3.753 -4.469 134 2HB LYS 16 2HB LYS 16 -3.864 -2.549 -5.664 135 1HG LYS 16 1HG LYS 16 -3.295 -4.585 -6.695 136 2HG LYS 16 2HG LYS 16 -1.766 -4.025 -6.023 137 1HD LYS 16 1HD LYS 16 -2.380 -5.425 -3.939 138 2HD LYS 16 2HD LYS 16 -3.590 -6.186 -4.969 139 1HE LYS 16 1HE LYS 16 -1.304 -6.237 -6.556 140 2HE LYS 16 2HE LYS 16 -0.688 -6.588 -4.932 141 1HZ LYS 16 1HZ LYS 16 -3.044 -7.928 -6.161 142 2HZ LYS 16 2HZ LYS 16 -1.485 -8.594 -6.092 143 3HZ LYS 16 3HZ LYS 16 -2.336 -8.297 -4.661 144 H ILE 17 H ILE 17 -3.222 -0.265 -4.585 145 HA ILE 17 HA ILE 17 -1.110 0.484 -6.378 146 HB ILE 17 HB ILE 17 -2.888 2.159 -4.555 147 1HG1 ILE 17 1HG1 ILE 17 -3.309 1.831 -7.514 148 2HG1 ILE 17 2HG1 ILE 17 -3.878 0.563 -6.427 149 1HG2 ILE 17 1HG2 ILE 17 -1.097 2.901 -6.870 150 2HG2 ILE 17 2HG2 ILE 17 -2.465 3.909 -6.395 151 3HG2 ILE 17 3HG2 ILE 17 -1.154 3.607 -5.256 152 1HD1 ILE 17 1HD1 ILE 17 -4.611 3.152 -5.370 153 2HD1 ILE 17 2HD1 ILE 17 -5.173 2.996 -7.033 154 3HD1 ILE 17 3HD1 ILE 17 -5.650 1.800 -5.829 155 H ALA 18 H ALA 18 -1.576 0.849 -2.868 156 HA ALA 18 HA ALA 18 0.847 2.300 -2.304 157 1HB ALA 18 1HB ALA 18 -1.355 1.862 -0.922 158 2HB ALA 18 2HB ALA 18 -0.494 0.426 -0.366 159 3HB ALA 18 3HB ALA 18 0.181 2.029 -0.073 160 H LYS 19 H LYS 19 0.042 -1.192 -2.408 161 HA LYS 19 HA LYS 19 2.385 -2.327 -1.320 162 1HB LYS 19 1HB LYS 19 0.108 -3.173 -2.726 163 2HB LYS 19 2HB LYS 19 1.467 -3.722 -3.699 164 1HG LYS 19 1HG LYS 19 2.145 -5.233 -2.147 165 2HG LYS 19 2HG LYS 19 1.787 -4.162 -0.792 166 1HD LYS 19 1HD LYS 19 -0.357 -5.563 -2.409 167 2HD LYS 19 2HD LYS 19 0.327 -6.225 -0.924 168 1HE LYS 19 1HE LYS 19 -0.292 -3.634 -0.171 169 2HE LYS 19 2HE LYS 19 -1.629 -4.050 -1.256 170 1HZ LYS 19 1HZ LYS 19 -0.662 -5.775 0.969 171 2HZ LYS 19 2HZ LYS 19 -2.031 -4.776 1.044 172 3HZ LYS 19 3HZ LYS 19 -2.001 -6.075 -0.039 173 H ARG 20 H ARG 20 1.894 -0.883 -4.524 174 HA ARG 20 HA ARG 20 4.546 -1.774 -5.481 175 1HB ARG 20 1HB ARG 20 2.118 -0.433 -6.609 176 2HB ARG 20 2HB ARG 20 3.651 -0.277 -7.469 177 1HG ARG 20 1HG ARG 20 3.676 -2.457 -8.099 178 2HG ARG 20 2HG ARG 20 3.052 -3.017 -6.550 179 1HD ARG 20 1HD ARG 20 0.836 -2.794 -7.194 180 2HD ARG 20 2HD ARG 20 1.194 -1.517 -8.375 181 HE ARG 20 HE ARG 20 1.641 -4.425 -8.812 182 1HH1 ARG 20 1HH2 ARG 20 -0.069 -2.914 -10.683 183 2HH1 ARG 20 2HH2 ARG 20 1.002 -2.548 -11.988 184 1HH2 ARG 20 1HH1 ARG 20 3.885 -3.205 -10.131 185 2HH2 ARG 20 2HH1 ARG 20 3.273 -2.716 -11.671 186 H SER 21 H SER 21 3.199 1.025 -3.889 187 HA SER 21 HA SER 21 5.436 2.787 -4.745 188 1HB SER 21 1HB SER 21 2.800 3.267 -4.478 189 2HB SER 21 2HB SER 21 3.312 3.636 -2.835 190 HG SER 21 HG SER 21 3.374 5.374 -4.534 191 H ILE 22 H ILE 22 4.052 1.279 -1.820 192 HA ILE 22 HA ILE 22 5.608 2.449 0.207 193 HB ILE 22 HB ILE 22 4.415 -0.306 -0.179 194 1HG1 ILE 22 1HG1 ILE 22 3.555 1.835 1.763 195 2HG1 ILE 22 2HG1 ILE 22 3.044 1.891 0.077 196 1HG2 ILE 22 1HG2 ILE 22 6.067 0.722 2.084 197 2HG2 ILE 22 2HG2 ILE 22 4.613 -0.184 2.494 198 3HG2 ILE 22 3HG2 ILE 22 5.860 -0.927 1.496 199 1HD1 ILE 22 1HD1 ILE 22 2.317 -0.584 0.454 200 2HD1 ILE 22 2HD1 ILE 22 2.407 -0.180 2.169 201 3HD1 ILE 22 3HD1 ILE 22 1.304 0.701 1.113 202 H LYS 23 H LYS 23 6.443 -0.400 -1.807 203 HA LYS 23 HA LYS 23 8.938 -1.071 -0.642 204 1HB LYS 23 1HB LYS 23 7.606 -1.422 -3.285 205 2HB LYS 23 2HB LYS 23 9.348 -1.691 -3.234 206 1HG LYS 23 1HG LYS 23 8.970 -3.207 -1.245 207 2HG LYS 23 2HG LYS 23 7.240 -3.077 -1.555 208 1HD LYS 23 1HD LYS 23 9.192 -3.953 -3.692 209 2HD LYS 23 2HD LYS 23 8.438 -5.097 -2.585 210 1HE LYS 23 1HE LYS 23 6.497 -5.060 -3.747 211 2HE LYS 23 2HE LYS 23 6.450 -3.288 -3.718 212 1HZ LYS 23 1HZ LYS 23 8.089 -3.254 -5.507 213 2HZ LYS 23 2HZ LYS 23 8.083 -4.950 -5.575 214 3HZ LYS 23 3HZ LYS 23 6.680 -4.073 -5.978 215 H THR 24 H THR 24 8.185 1.467 -3.039 216 HA THR 24 HA THR 24 10.970 2.144 -3.540 217 HB THR 24 HB THR 24 8.702 4.075 -3.967 218 HG1 THR 24 HG1 THR 24 7.905 2.915 -5.615 219 1HG2 THR 24 1HG2 THR 24 11.027 4.623 -4.608 220 2HG2 THR 24 2HG2 THR 24 11.047 3.218 -5.673 221 3HG2 THR 24 3HG2 THR 24 9.947 4.558 -6.003 222 H LEU 25 H LEU 25 8.443 3.254 -1.293 223 HA LEU 25 HA LEU 25 9.825 5.584 -0.295 224 1HB LEU 25 1HB LEU 25 7.359 4.933 -0.073 225 2HB LEU 25 2HB LEU 25 7.862 3.800 1.178 226 HG LEU 25 HG LEU 25 8.933 6.529 1.514 227 1HD1 LEU 25 1HD1 LEU 25 5.961 5.994 1.782 228 2HD1 LEU 25 2HD1 LEU 25 6.793 7.432 2.371 229 3HD1 LEU 25 3HD1 LEU 25 6.720 7.105 0.641 230 1HD2 LEU 25 1HD2 LEU 25 9.104 4.642 3.174 231 2HD2 LEU 25 2HD2 LEU 25 8.356 6.093 3.838 232 3HD2 LEU 25 3HD2 LEU 25 7.352 4.719 3.371 233 H GLU 26 H GLU 26 9.803 2.147 0.587 234 HA GLU 26 HA GLU 26 11.511 2.430 2.955 235 1HB GLU 26 1HB GLU 26 10.606 0.061 1.295 236 2HB GLU 26 2HB GLU 26 11.416 -0.064 2.851 237 1HG GLU 26 1HG GLU 26 9.569 0.859 4.009 238 2HG GLU 26 2HG GLU 26 8.854 1.504 2.533 239 H HIS 27 H HIS 27 11.941 1.098 -0.342 240 HA HIS 27 HA HIS 27 13.834 0.588 -1.583 241 1HB HIS 27 1HB HIS 27 13.963 3.223 -0.511 242 2HB HIS 27 2HB HIS 27 15.602 2.579 -0.569 243 HD1 HIS 27 HD1 HIS 27 12.760 3.624 -2.753 244 HD2 HIS 27 HD2 HIS 27 16.518 1.865 -3.195 245 HE1 HIS 27 HE1 HIS 27 13.304 3.701 -5.227 246 H LYS 28 H LYS 28 13.753 -0.553 1.368 247 HA LYS 28 HA LYS 28 15.109 -1.829 2.757 248 1HB LYS 28 1HB LYS 28 16.854 -2.038 0.281 249 2HB LYS 28 2HB LYS 28 16.749 -3.192 1.601 250 1HG LYS 28 1HG LYS 28 15.227 -4.282 0.346 251 2HG LYS 28 2HG LYS 28 14.110 -2.977 0.745 252 1HD LYS 28 1HD LYS 28 15.648 -1.925 -1.334 253 2HD LYS 28 2HD LYS 28 15.399 -3.601 -1.804 254 1HE LYS 28 1HE LYS 28 13.086 -1.891 -0.859 255 2HE LYS 28 2HE LYS 28 13.603 -1.901 -2.554 256 1HZ LYS 28 1HZ LYS 28 13.513 -4.399 -2.414 257 2HZ LYS 28 2HZ LYS 28 12.707 -4.220 -0.933 258 3HZ LYS 28 3HZ LYS 28 12.010 -3.605 -2.352 259 H ARG 29 H ARG 29 15.558 1.018 2.739 260 HA ARG 29 HA ARG 29 17.997 1.240 4.242 261 1HB ARG 29 1HB ARG 29 19.279 2.630 2.679 262 2HB ARG 29 2HB ARG 29 18.966 1.050 1.979 263 1HG ARG 29 1HG ARG 29 16.869 2.244 0.920 264 2HG ARG 29 2HG ARG 29 17.778 3.714 1.255 265 1HD ARG 29 1HD ARG 29 19.477 1.673 0.023 266 2HD ARG 29 2HD ARG 29 18.100 2.107 -1.005 267 HE ARG 29 HE ARG 29 18.858 4.387 -1.042 268 1HH1 ARG 29 1HH2 ARG 29 21.504 3.145 -1.543 269 2HH1 ARG 29 2HH2 ARG 29 22.509 3.889 -0.346 270 1HH2 ARG 29 1HH1 ARG 29 19.817 4.995 1.577 271 2HH2 ARG 29 2HH1 ARG 29 21.538 4.954 1.448 272 H GLU 30 H GLU 30 15.614 3.038 2.271 273 HA GLU 30 HA GLU 30 15.760 5.604 3.447 274 1HB GLU 30 1HB GLU 30 14.282 4.280 1.527 275 2HB GLU 30 2HB GLU 30 13.084 4.596 2.772 276 1HG GLU 30 1HG GLU 30 14.909 6.719 1.630 277 2HG GLU 30 2HG GLU 30 13.295 6.386 1.016 278 H ASN 31 H ASN 31 14.274 2.635 4.673 279 HA ASN 31 HA ASN 31 12.813 4.022 6.831 280 1HB ASN 31 1HB ASN 31 12.004 1.997 5.513 281 2HB ASN 31 2HB ASN 31 13.227 1.061 6.363 282 1HD2 ASN 31 2HD2 ASN 31 13.026 0.940 8.800 283 2HD2 ASN 31 1HD2 ASN 31 11.499 1.165 9.506 284 H ALA 32 H ALA 32 15.626 1.814 6.496 285 HA ALA 32 HA ALA 32 16.228 2.069 9.397 286 1HB ALA 32 1HB ALA 32 17.335 0.322 7.191 287 2HB ALA 32 2HB ALA 32 17.781 0.207 8.893 288 3HB ALA 32 3HB ALA 32 16.127 -0.144 8.390 289 H LYS 33 H LYS 33 17.405 3.879 9.844 290 HA LYS 33 HA LYS 33 19.195 5.352 9.965 291 1HB LYS 33 1HB LYS 33 20.225 2.879 9.377 292 2HB LYS 33 2HB LYS 33 20.898 3.862 8.083 293 1HG LYS 33 1HG LYS 33 21.192 5.406 10.427 294 2HG LYS 33 2HG LYS 33 21.633 3.764 10.884 295 1HD LYS 33 1HD LYS 33 23.654 4.695 10.097 296 2HD LYS 33 2HD LYS 33 23.065 3.746 8.731 297 1HE LYS 33 1HE LYS 33 22.036 5.806 7.777 298 2HE LYS 33 2HE LYS 33 22.749 6.748 9.097 299 1HZ LYS 33 1HZ LYS 33 24.288 5.033 7.219 300 2HZ LYS 33 2HZ LYS 33 24.120 6.720 7.081 301 3HZ LYS 33 3HZ LYS 33 24.934 6.061 8.414 302 H GLU 34 H GLU 34 20.416 6.956 8.704 303 HA GLU 34 HA GLU 34 19.074 7.592 6.120 304 1HB GLU 34 1HB GLU 34 20.631 9.198 8.169 305 2HB GLU 34 2HB GLU 34 20.109 9.871 6.627 306 1HG GLU 34 1HG GLU 34 17.853 9.777 7.186 307 2HG GLU 34 2HG GLU 34 18.090 8.487 8.364 Start of MODEL 3 1 1H CYS 1 1H CYS 1 -15.057 6.807 0.710 2 2H CYS 1 2H CYS 1 -15.361 8.090 -0.361 3 3H CYS 1 3H CYS 1 -15.438 8.348 1.309 4 HA CYS 1 HA CYS 1 -17.678 8.201 0.387 5 1HB CYS 1 1HB CYS 1 -16.485 5.647 -0.685 6 2HB CYS 1 2HB CYS 1 -18.226 5.823 -0.502 7 HG CYS 1 HG CYS 1 -18.293 7.402 -2.427 8 H ALA 2 H ALA 2 -19.416 7.016 1.537 9 HA ALA 2 HA ALA 2 -18.745 5.036 3.593 10 1HB ALA 2 1HB ALA 2 -19.473 7.893 4.323 11 2HB ALA 2 2HB ALA 2 -19.322 6.559 5.467 12 3HB ALA 2 3HB ALA 2 -17.906 7.125 4.581 13 H VAL 3 H VAL 3 -20.517 4.551 1.666 14 HA VAL 3 HA VAL 3 -23.171 5.501 1.911 15 HB VAL 3 HB VAL 3 -23.813 3.458 0.698 16 1HG1 VAL 3 1HG1 VAL 3 -22.437 5.448 -0.318 17 2HG1 VAL 3 2HG1 VAL 3 -21.172 4.231 -0.488 18 3HG1 VAL 3 3HG1 VAL 3 -22.731 3.996 -1.273 19 1HG2 VAL 3 1HG2 VAL 3 -21.005 2.550 1.398 20 2HG2 VAL 3 2HG2 VAL 3 -22.526 1.714 1.709 21 3HG2 VAL 3 3HG2 VAL 3 -21.923 1.858 0.061 22 H GLU 4 H GLU 4 -21.545 2.889 3.611 23 HA GLU 4 HA GLU 4 -23.682 2.860 5.698 24 1HB GLU 4 1HB GLU 4 -22.546 0.605 4.022 25 2HB GLU 4 2HB GLU 4 -23.163 0.277 5.638 26 1HG GLU 4 1HG GLU 4 -24.870 1.847 3.735 27 2HG GLU 4 2HG GLU 4 -24.762 0.099 3.544 28 H LEU 5 H LEU 5 -21.254 4.282 5.717 29 HA LEU 5 HA LEU 5 -19.289 4.650 6.888 30 1HB LEU 5 1HB LEU 5 -21.239 3.421 8.572 31 2HB LEU 5 2HB LEU 5 -19.683 2.731 9.007 32 HG LEU 5 HG LEU 5 -20.248 4.771 10.310 33 1HD1 LEU 5 1HD1 LEU 5 -17.864 4.043 9.675 34 2HD1 LEU 5 2HD1 LEU 5 -17.898 5.380 8.524 35 3HD1 LEU 5 3HD1 LEU 5 -18.083 5.697 10.248 36 1HD2 LEU 5 1HD2 LEU 5 -21.308 5.812 8.091 37 2HD2 LEU 5 2HD2 LEU 5 -20.631 6.841 9.351 38 3HD2 LEU 5 3HD2 LEU 5 -19.684 6.472 7.911 39 H ARG 6 H ARG 6 -19.077 2.859 4.749 40 HA ARG 6 HA ARG 6 -16.660 1.363 5.485 41 1HB ARG 6 1HB ARG 6 -18.594 -0.061 6.168 42 2HB ARG 6 2HB ARG 6 -19.106 -0.105 4.485 43 1HG ARG 6 1HG ARG 6 -17.816 -2.109 5.013 44 2HG ARG 6 2HG ARG 6 -16.923 -1.116 3.863 45 1HD ARG 6 1HD ARG 6 -15.278 -0.585 5.384 46 2HD ARG 6 2HD ARG 6 -16.394 -0.613 6.764 47 HE ARG 6 HE ARG 6 -15.830 -3.200 5.428 48 1HH1 ARG 6 1HH1 ARG 6 -17.126 -2.813 8.158 49 2HH1 ARG 6 2HH1 ARG 6 -15.829 -3.237 9.219 50 1HH2 ARG 6 1HH2 ARG 6 -13.392 -2.970 6.724 51 2HH2 ARG 6 2HH2 ARG 6 -13.671 -3.329 8.393 52 H SER 7 H SER 7 -19.123 1.846 2.917 53 HA SER 7 HA SER 7 -18.996 1.847 0.613 54 1HB SER 7 1HB SER 7 -17.341 3.514 -0.217 55 2HB SER 7 2HB SER 7 -18.284 4.073 1.148 56 HG SER 7 HG SER 7 -16.503 4.098 2.331 57 HA PRO 8 HA PRO 8 -15.994 -1.593 0.177 58 1HB PRO 8 1HB PRO 8 -17.739 -3.289 -1.066 59 2HB PRO 8 2HB PRO 8 -17.606 -3.148 0.700 60 1HG PRO 8 1HG PRO 8 -19.631 -2.006 -1.138 61 2HG PRO 8 2HG PRO 8 -19.823 -2.657 0.498 62 1HD PRO 8 1HD PRO 8 -19.750 0.004 -0.076 63 2HD PRO 8 2HD PRO 8 -19.284 -0.690 1.493 64 H GLY 9 H GLY 9 -15.264 0.260 -1.318 65 1HA GLY 9 1HA GLY 9 -15.020 -0.708 -4.040 66 2HA GLY 9 2HA GLY 9 -16.004 0.757 -3.939 67 H ILE 10 H ILE 10 -13.086 0.087 -4.840 68 HA ILE 10 HA ILE 10 -11.131 1.187 -5.058 69 HB ILE 10 HB ILE 10 -13.040 3.062 -4.848 70 1HG1 ILE 10 1HG1 ILE 10 -10.888 2.743 -6.262 71 2HG1 ILE 10 2HG1 ILE 10 -11.618 4.330 -6.103 72 1HG2 ILE 10 1HG2 ILE 10 -11.560 3.404 -2.386 73 2HG2 ILE 10 2HG2 ILE 10 -11.391 4.813 -3.432 74 3HG2 ILE 10 3HG2 ILE 10 -12.992 4.243 -2.977 75 1HD1 ILE 10 1HD1 ILE 10 -9.337 3.356 -4.356 76 2HD1 ILE 10 2HD1 ILE 10 -9.100 4.294 -5.830 77 3HD1 ILE 10 3HD1 ILE 10 -9.966 4.999 -4.465 78 H SER 11 H SER 11 -12.256 0.691 -1.775 79 HA SER 11 HA SER 11 -9.741 1.408 -0.526 80 1HB SER 11 1HB SER 11 -12.058 1.286 0.525 81 2HB SER 11 2HB SER 11 -11.908 -0.463 0.482 82 HG SER 11 HG SER 11 -10.867 1.331 2.233 83 H ARG 12 H ARG 12 -11.202 -1.760 -1.454 84 HA ARG 12 HA ARG 12 -8.925 -3.351 -0.715 85 1HB ARG 12 1HB ARG 12 -11.343 -4.051 -1.358 86 2HB ARG 12 2HB ARG 12 -10.790 -3.934 -3.032 87 1HG ARG 12 1HG ARG 12 -8.828 -5.448 -2.270 88 2HG ARG 12 2HG ARG 12 -9.830 -5.802 -0.866 89 1HD ARG 12 1HD ARG 12 -11.071 -6.041 -3.592 90 2HD ARG 12 2HD ARG 12 -9.992 -7.328 -3.029 91 HE ARG 12 HE ARG 12 -12.405 -6.433 -1.502 92 1HH1 ARG 12 1HH2 ARG 12 -12.625 -8.935 -3.096 93 2HH1 ARG 12 2HH2 ARG 12 -12.226 -10.159 -1.942 94 1HH2 ARG 12 1HH1 ARG 12 -10.766 -7.912 0.299 95 2HH2 ARG 12 2HH1 ARG 12 -11.158 -9.571 0.011 96 H PHE 13 H PHE 13 -9.804 -1.591 -3.657 97 HA PHE 13 HA PHE 13 -7.650 -2.469 -5.352 98 1HB PHE 13 1HB PHE 13 -9.589 -1.585 -6.355 99 2HB PHE 13 2HB PHE 13 -9.651 -0.220 -5.257 100 HD1 PHE 13 HD1 PHE 13 -7.294 -1.677 -7.815 101 HD2 PHE 13 HD2 PHE 13 -9.084 1.836 -6.117 102 HE1 PHE 13 HE1 PHE 13 -6.119 -0.271 -9.487 103 HE2 PHE 13 HE2 PHE 13 -7.911 3.244 -7.787 104 HZ PHE 13 HZ PHE 13 -6.430 2.191 -9.472 105 H ARG 14 H ARG 14 -8.059 0.433 -3.229 106 HA ARG 14 HA ARG 14 -5.504 1.561 -3.892 107 1HB ARG 14 1HB ARG 14 -6.086 3.230 -2.426 108 2HB ARG 14 2HB ARG 14 -7.668 2.543 -2.727 109 1HG ARG 14 1HG ARG 14 -7.277 1.120 -0.630 110 2HG ARG 14 2HG ARG 14 -5.892 2.157 -0.311 111 1HD ARG 14 1HD ARG 14 -8.137 3.842 -0.925 112 2HD ARG 14 2HD ARG 14 -8.633 2.674 0.309 113 HE ARG 14 HE ARG 14 -6.097 3.567 1.118 114 1HH1 ARG 14 1HH1 ARG 14 -7.070 6.161 -0.098 115 2HH1 ARG 14 2HH1 ARG 14 -7.822 6.924 1.260 116 1HH2 ARG 14 1HH2 ARG 14 -7.993 3.975 3.125 117 2HH2 ARG 14 2HH2 ARG 14 -8.355 5.664 3.110 118 H ARG 15 H ARG 15 -6.395 -0.970 -1.629 119 HA ARG 15 HA ARG 15 -4.117 -0.913 0.088 120 1HB ARG 15 1HB ARG 15 -6.343 -2.682 -0.549 121 2HB ARG 15 2HB ARG 15 -4.870 -3.599 -0.247 122 1HG ARG 15 1HG ARG 15 -4.879 -1.634 1.750 123 2HG ARG 15 2HG ARG 15 -6.556 -2.148 1.632 124 1HD ARG 15 1HD ARG 15 -5.812 -3.771 3.093 125 2HD ARG 15 2HD ARG 15 -5.370 -4.584 1.581 126 HE ARG 15 HE ARG 15 -3.415 -2.823 3.019 127 1HH1 ARG 15 1HH1 ARG 15 -2.580 -3.952 0.417 128 2HH1 ARG 15 2HH1 ARG 15 -1.759 -5.407 0.867 129 1HH2 ARG 15 1HH2 ARG 15 -3.133 -5.468 4.082 130 2HH2 ARG 15 2HH2 ARG 15 -2.077 -6.283 2.983 131 H LYS 16 H LYS 16 -4.526 -2.135 -3.211 132 HA LYS 16 HA LYS 16 -1.930 -3.540 -3.186 133 1HB LYS 16 1HB LYS 16 -4.072 -4.238 -4.438 134 2HB LYS 16 2HB LYS 16 -3.726 -2.908 -5.546 135 1HG LYS 16 1HG LYS 16 -1.501 -3.877 -6.012 136 2HG LYS 16 2HG LYS 16 -1.864 -5.220 -4.929 137 1HD LYS 16 1HD LYS 16 -3.773 -4.614 -7.158 138 2HD LYS 16 2HD LYS 16 -2.267 -5.451 -7.533 139 1HE LYS 16 1HE LYS 16 -2.793 -7.293 -6.140 140 2HE LYS 16 2HE LYS 16 -4.061 -6.397 -5.285 141 1HZ LYS 16 1HZ LYS 16 -4.121 -7.110 -8.175 142 2HZ LYS 16 2HZ LYS 16 -5.005 -7.880 -6.954 143 3HZ LYS 16 3HZ LYS 16 -5.326 -6.256 -7.329 144 H ILE 17 H ILE 17 -3.342 -0.495 -4.391 145 HA ILE 17 HA ILE 17 -1.169 0.397 -6.019 146 HB ILE 17 HB ILE 17 -3.149 1.942 -4.305 147 1HG1 ILE 17 1HG1 ILE 17 -3.269 1.490 -7.295 148 2HG1 ILE 17 2HG1 ILE 17 -4.030 0.373 -6.162 149 1HG2 ILE 17 1HG2 ILE 17 -1.094 2.804 -6.301 150 2HG2 ILE 17 2HG2 ILE 17 -2.635 3.662 -6.265 151 3HG2 ILE 17 3HG2 ILE 17 -1.626 3.599 -4.820 152 1HD1 ILE 17 1HD1 ILE 17 -4.768 3.016 -5.380 153 2HD1 ILE 17 2HD1 ILE 17 -5.030 2.879 -7.118 154 3HD1 ILE 17 3HD1 ILE 17 -5.803 1.740 -6.017 155 H ALA 18 H ALA 18 -1.797 0.731 -2.517 156 HA ALA 18 HA ALA 18 0.487 2.368 -1.904 157 1HB ALA 18 1HB ALA 18 -1.566 2.040 -0.507 158 2HB ALA 18 2HB ALA 18 -0.995 0.412 -0.131 159 3HB ALA 18 3HB ALA 18 -0.062 1.817 0.388 160 H LYS 19 H LYS 19 0.083 -1.169 -2.176 161 HA LYS 19 HA LYS 19 2.405 -2.033 -0.830 162 1HB LYS 19 1HB LYS 19 1.793 -4.055 -1.660 163 2HB LYS 19 2HB LYS 19 0.359 -3.196 -2.188 164 1HG LYS 19 1HG LYS 19 1.512 -2.804 -4.401 165 2HG LYS 19 2HG LYS 19 2.820 -3.839 -3.837 166 1HD LYS 19 1HD LYS 19 1.425 -5.753 -3.756 167 2HD LYS 19 2HD LYS 19 -0.043 -4.785 -3.845 168 1HE LYS 19 1HE LYS 19 0.237 -5.718 -6.030 169 2HE LYS 19 2HE LYS 19 0.757 -4.034 -6.168 170 1HZ LYS 19 1HZ LYS 19 2.729 -6.122 -5.455 171 2HZ LYS 19 2HZ LYS 19 2.280 -5.898 -7.072 172 3HZ LYS 19 3HZ LYS 19 2.973 -4.617 -6.202 173 H ARG 20 H ARG 20 2.123 -0.672 -4.097 174 HA ARG 20 HA ARG 20 4.934 -1.206 -4.754 175 1HB ARG 20 1HB ARG 20 2.962 -1.160 -6.359 176 2HB ARG 20 2HB ARG 20 2.945 0.590 -6.169 177 1HG ARG 20 1HG ARG 20 4.572 0.774 -7.704 178 2HG ARG 20 2HG ARG 20 5.644 -0.162 -6.669 179 1HD ARG 20 1HD ARG 20 3.815 -1.978 -7.948 180 2HD ARG 20 2HD ARG 20 4.548 -0.938 -9.180 181 HE ARG 20 HE ARG 20 6.768 -1.544 -7.858 182 1HH1 ARG 20 1HH2 ARG 20 6.200 -3.282 -10.155 183 2HH1 ARG 20 2HH2 ARG 20 6.162 -4.866 -9.464 184 1HH2 ARG 20 1HH1 ARG 20 5.774 -3.687 -6.198 185 2HH2 ARG 20 2HH1 ARG 20 5.916 -5.100 -7.186 186 H SER 21 H SER 21 3.097 1.489 -3.362 187 HA SER 21 HA SER 21 5.333 3.377 -3.729 188 1HB SER 21 1HB SER 21 2.552 3.568 -3.430 189 2HB SER 21 2HB SER 21 3.208 4.217 -1.930 190 HG SER 21 HG SER 21 4.091 5.831 -3.031 191 H ILE 22 H ILE 22 5.307 0.833 -1.788 192 HA ILE 22 HA ILE 22 6.198 2.257 0.682 193 HB ILE 22 HB ILE 22 4.999 -0.460 0.068 194 1HG1 ILE 22 1HG1 ILE 22 4.269 1.429 2.298 195 2HG1 ILE 22 2HG1 ILE 22 3.687 1.716 0.658 196 1HG2 ILE 22 1HG2 ILE 22 6.586 0.359 2.506 197 2HG2 ILE 22 2HG2 ILE 22 5.330 -0.876 2.597 198 3HG2 ILE 22 3HG2 ILE 22 6.729 -1.117 1.551 199 1HD1 ILE 22 1HD1 ILE 22 2.747 -0.588 0.620 200 2HD1 ILE 22 2HD1 ILE 22 3.253 -0.795 2.297 201 3HD1 ILE 22 3HD1 ILE 22 2.031 0.411 1.886 202 H LYS 23 H LYS 23 6.970 -0.625 -1.335 203 HA LYS 23 HA LYS 23 9.625 -1.032 -0.374 204 1HB LYS 23 1HB LYS 23 8.147 -2.585 -1.728 205 2HB LYS 23 2HB LYS 23 8.559 -1.626 -3.149 206 1HG LYS 23 1HG LYS 23 11.037 -2.143 -2.020 207 2HG LYS 23 2HG LYS 23 10.149 -3.633 -1.718 208 1HD LYS 23 1HD LYS 23 11.058 -4.025 -3.832 209 2HD LYS 23 2HD LYS 23 9.445 -3.448 -4.223 210 1HE LYS 23 1HE LYS 23 10.580 -2.020 -5.614 211 2HE LYS 23 2HE LYS 23 10.818 -1.075 -4.136 212 1HZ LYS 23 1HZ LYS 23 12.660 -3.224 -5.065 213 2HZ LYS 23 2HZ LYS 23 12.917 -1.567 -5.300 214 3HZ LYS 23 3HZ LYS 23 12.881 -2.196 -3.725 215 H THR 24 H THR 24 8.498 0.751 -3.287 216 HA THR 24 HA THR 24 11.049 1.616 -4.227 217 HB THR 24 HB THR 24 8.314 2.931 -4.416 218 HG1 THR 24 HG1 THR 24 7.889 1.389 -5.764 219 1HG2 THR 24 1HG2 THR 24 10.754 3.190 -6.196 220 2HG2 THR 24 2HG2 THR 24 9.165 3.880 -6.528 221 3HG2 THR 24 3HG2 THR 24 10.100 4.448 -5.145 222 H LEU 25 H LEU 25 8.823 3.049 -1.841 223 HA LEU 25 HA LEU 25 10.197 5.523 -1.411 224 1HB LEU 25 1HB LEU 25 7.831 4.550 -0.674 225 2HB LEU 25 2HB LEU 25 8.725 4.075 0.770 226 HG LEU 25 HG LEU 25 9.597 6.535 0.739 227 1HD1 LEU 25 1HD1 LEU 25 8.561 6.969 -1.536 228 2HD1 LEU 25 2HD1 LEU 25 6.982 6.890 -0.753 229 3HD1 LEU 25 3HD1 LEU 25 8.131 8.144 -0.293 230 1HD2 LEU 25 1HD2 LEU 25 7.939 5.385 2.346 231 2HD2 LEU 25 2HD2 LEU 25 7.854 7.143 2.242 232 3HD2 LEU 25 3HD2 LEU 25 6.668 6.153 1.394 233 H GLU 26 H GLU 26 10.381 2.369 0.290 234 HA GLU 26 HA GLU 26 12.312 3.037 2.255 235 1HB GLU 26 1HB GLU 26 11.040 0.688 1.207 236 2HB GLU 26 2HB GLU 26 12.772 0.369 1.322 237 1HG GLU 26 1HG GLU 26 11.210 1.604 3.595 238 2HG GLU 26 2HG GLU 26 11.393 -0.140 3.411 239 H HIS 27 H HIS 27 12.793 1.862 -1.091 240 HA HIS 27 HA HIS 27 15.625 1.653 -1.112 241 1HB HIS 27 1HB HIS 27 14.193 0.827 -2.905 242 2HB HIS 27 2HB HIS 27 13.622 2.456 -3.249 243 HD1 HIS 27 HD1 HIS 27 16.851 0.433 -3.345 244 HD2 HIS 27 HD2 HIS 27 15.188 3.849 -5.059 245 HE1 HIS 27 HE1 HIS 27 18.486 1.213 -5.114 246 H LYS 28 H LYS 28 13.499 4.448 -1.708 247 HA LYS 28 HA LYS 28 15.509 6.370 -2.383 248 1HB LYS 28 1HB LYS 28 12.658 6.259 -1.815 249 2HB LYS 28 2HB LYS 28 13.379 7.689 -1.084 250 1HG LYS 28 1HG LYS 28 12.902 8.486 -3.203 251 2HG LYS 28 2HG LYS 28 14.561 7.941 -3.425 252 1HD LYS 28 1HD LYS 28 13.940 6.383 -4.930 253 2HD LYS 28 2HD LYS 28 12.661 5.775 -3.884 254 1HE LYS 28 1HE LYS 28 11.050 6.955 -4.974 255 2HE LYS 28 2HE LYS 28 12.047 8.415 -5.057 256 1HZ LYS 28 1HZ LYS 28 13.365 7.341 -6.817 257 2HZ LYS 28 2HZ LYS 28 12.301 6.011 -6.791 258 3HZ LYS 28 3HZ LYS 28 11.742 7.537 -7.264 259 H ARG 29 H ARG 29 14.248 5.250 0.757 260 HA ARG 29 HA ARG 29 15.439 7.266 2.423 261 1HB ARG 29 1HB ARG 29 14.932 4.334 3.059 262 2HB ARG 29 2HB ARG 29 15.080 5.644 4.222 263 1HG ARG 29 1HG ARG 29 13.067 6.662 2.797 264 2HG ARG 29 2HG ARG 29 12.809 4.966 2.399 265 1HD ARG 29 1HD ARG 29 11.947 4.526 4.446 266 2HD ARG 29 2HD ARG 29 13.296 5.335 5.265 267 HE ARG 29 HE ARG 29 10.875 6.739 4.216 268 1HH1 ARG 29 1HH1 ARG 29 13.670 8.134 4.486 269 2HH1 ARG 29 2HH1 ARG 29 13.435 8.977 5.976 270 1HH2 ARG 29 1HH2 ARG 29 10.590 7.154 6.854 271 2HH2 ARG 29 2HH2 ARG 29 11.670 8.414 7.336 272 H GLU 30 H GLU 30 16.564 4.043 1.383 273 HA GLU 30 HA GLU 30 19.154 4.138 2.639 274 1HB GLU 30 1HB GLU 30 17.807 2.558 0.458 275 2HB GLU 30 2HB GLU 30 19.535 2.348 0.742 276 1HG GLU 30 1HG GLU 30 17.713 2.282 3.114 277 2HG GLU 30 2HG GLU 30 17.739 0.878 2.050 278 H ASN 31 H ASN 31 18.025 4.913 -0.656 279 HA ASN 31 HA ASN 31 20.524 5.605 -1.849 280 1HB ASN 31 1HB ASN 31 17.626 6.109 -2.341 281 2HB ASN 31 2HB ASN 31 18.762 7.159 -3.174 282 1HD2 ASN 31 2HD2 ASN 31 18.397 6.230 -5.308 283 2HD2 ASN 31 1HD2 ASN 31 18.862 4.640 -5.678 284 H ALA 32 H ALA 32 18.222 7.526 0.075 285 HA ALA 32 HA ALA 32 19.538 10.084 -0.331 286 1HB ALA 32 1HB ALA 32 17.540 9.078 1.711 287 2HB ALA 32 2HB ALA 32 17.982 10.771 1.494 288 3HB ALA 32 3HB ALA 32 17.172 9.897 0.195 289 H LYS 33 H LYS 33 20.429 11.343 1.544 290 HA LYS 33 HA LYS 33 22.190 9.634 3.265 291 1HB LYS 33 1HB LYS 33 22.536 12.090 1.657 292 2HB LYS 33 2HB LYS 33 23.261 12.171 3.261 293 1HG LYS 33 1HG LYS 33 24.439 10.033 2.828 294 2HG LYS 33 2HG LYS 33 23.743 9.990 1.210 295 1HD LYS 33 1HD LYS 33 25.810 10.960 0.772 296 2HD LYS 33 2HD LYS 33 24.804 12.387 0.991 297 1HE LYS 33 1HE LYS 33 26.646 12.884 2.354 298 2HE LYS 33 2HE LYS 33 25.528 12.164 3.525 299 1HZ LYS 33 1HZ LYS 33 26.582 9.977 3.024 300 2HZ LYS 33 2HZ LYS 33 27.753 10.796 2.102 301 3HZ LYS 33 3HZ LYS 33 27.618 11.088 3.769 302 H GLU 34 H GLU 34 20.554 12.839 3.315 303 HA GLU 34 HA GLU 34 20.436 12.767 6.267 304 1HB GLU 34 1HB GLU 34 20.638 14.747 4.247 305 2HB GLU 34 2HB GLU 34 19.071 14.991 5.010 306 1HG GLU 34 1HG GLU 34 20.140 16.061 6.670 307 2HG GLU 34 2HG GLU 34 20.820 14.512 7.147 Start of MODEL 4 1 1H CYS 1 1H CYS 1 -11.319 11.778 -8.161 2 2H CYS 1 2H CYS 1 -12.237 10.955 -9.322 3 3H CYS 1 3H CYS 1 -10.729 11.613 -9.743 4 HA CYS 1 HA CYS 1 -11.500 13.822 -9.606 5 1HB CYS 1 1HB CYS 1 -13.275 11.835 -11.004 6 2HB CYS 1 2HB CYS 1 -13.608 13.561 -11.124 7 HG CYS 1 HG CYS 1 -11.678 13.818 -12.657 8 H ALA 2 H ALA 2 -14.429 11.825 -8.940 9 HA ALA 2 HA ALA 2 -15.091 13.306 -6.498 10 1HB ALA 2 1HB ALA 2 -16.677 13.698 -9.059 11 2HB ALA 2 2HB ALA 2 -17.167 14.282 -7.468 12 3HB ALA 2 3HB ALA 2 -15.717 14.929 -8.237 13 H VAL 3 H VAL 3 -16.996 12.398 -5.485 14 HA VAL 3 HA VAL 3 -18.309 10.706 -4.723 15 HB VAL 3 HB VAL 3 -19.919 9.876 -6.135 16 1HG1 VAL 3 1HG1 VAL 3 -19.893 12.352 -6.042 17 2HG1 VAL 3 2HG1 VAL 3 -18.988 12.373 -7.556 18 3HG1 VAL 3 3HG1 VAL 3 -20.628 11.730 -7.519 19 1HG2 VAL 3 1HG2 VAL 3 -18.032 9.022 -7.851 20 2HG2 VAL 3 2HG2 VAL 3 -19.728 9.173 -8.304 21 3HG2 VAL 3 3HG2 VAL 3 -18.586 10.443 -8.735 22 H GLU 4 H GLU 4 -15.405 9.877 -5.850 23 HA GLU 4 HA GLU 4 -15.818 6.937 -5.913 24 1HB GLU 4 1HB GLU 4 -13.433 8.748 -6.366 25 2HB GLU 4 2HB GLU 4 -13.379 6.993 -6.505 26 1HG GLU 4 1HG GLU 4 -14.647 6.963 -8.439 27 2HG GLU 4 2HG GLU 4 -15.482 8.463 -8.047 28 H LEU 5 H LEU 5 -15.792 8.932 -3.421 29 HA LEU 5 HA LEU 5 -13.805 7.491 -1.736 30 1HB LEU 5 1HB LEU 5 -14.157 9.459 -0.210 31 2HB LEU 5 2HB LEU 5 -13.451 9.843 -1.767 32 HG LEU 5 HG LEU 5 -16.404 10.001 -1.705 33 1HD1 LEU 5 1HD1 LEU 5 -15.315 10.957 0.574 34 2HD1 LEU 5 2HD1 LEU 5 -15.098 12.360 -0.474 35 3HD1 LEU 5 3HD1 LEU 5 -16.710 11.697 -0.214 36 1HD2 LEU 5 1HD2 LEU 5 -14.833 10.761 -3.565 37 2HD2 LEU 5 2HD2 LEU 5 -16.020 11.953 -3.037 38 3HD2 LEU 5 3HD2 LEU 5 -14.347 12.075 -2.495 39 H ARG 6 H ARG 6 -17.268 8.132 -2.036 40 HA ARG 6 HA ARG 6 -17.918 7.077 0.623 41 1HB ARG 6 1HB ARG 6 -19.116 8.907 -0.698 42 2HB ARG 6 2HB ARG 6 -19.767 7.616 -1.707 43 1HG ARG 6 1HG ARG 6 -21.007 6.688 0.056 44 2HG ARG 6 2HG ARG 6 -20.037 7.487 1.292 45 1HD ARG 6 1HD ARG 6 -21.573 9.195 -0.648 46 2HD ARG 6 2HD ARG 6 -22.441 8.431 0.695 47 HE ARG 6 HE ARG 6 -20.126 9.571 1.829 48 1HH1 ARG 6 1HH2 ARG 6 -22.755 10.331 2.855 49 2HH1 ARG 6 2HH2 ARG 6 -22.905 11.991 2.398 50 1HH2 ARG 6 1HH1 ARG 6 -20.361 11.828 0.016 51 2HH2 ARG 6 2HH1 ARG 6 -21.531 12.851 0.771 52 H SER 7 H SER 7 -18.080 5.899 -2.749 53 HA SER 7 HA SER 7 -19.356 3.376 -2.019 54 1HB SER 7 1HB SER 7 -18.022 4.374 -4.548 55 2HB SER 7 2HB SER 7 -18.904 2.859 -4.420 56 HG SER 7 HG SER 7 -20.740 3.953 -4.356 57 HA PRO 8 HA PRO 8 -15.607 1.242 -0.967 58 1HB PRO 8 1HB PRO 8 -16.531 -1.319 -1.135 59 2HB PRO 8 2HB PRO 8 -16.928 -0.231 0.213 60 1HG PRO 8 1HG PRO 8 -18.564 -0.985 -2.144 61 2HG PRO 8 2HG PRO 8 -19.054 -0.706 -0.464 62 1HD PRO 8 1HD PRO 8 -19.415 1.104 -2.460 63 2HD PRO 8 2HD PRO 8 -19.241 1.543 -0.745 64 H GLY 9 H GLY 9 -14.208 -0.593 -1.959 65 1HA GLY 9 1HA GLY 9 -13.725 -1.948 -3.981 66 2HA GLY 9 2HA GLY 9 -14.488 -0.678 -4.941 67 H ILE 10 H ILE 10 -13.396 1.636 -4.112 68 HA ILE 10 HA ILE 10 -10.792 1.654 -5.247 69 HB ILE 10 HB ILE 10 -12.431 3.549 -5.125 70 1HG1 ILE 10 1HG1 ILE 10 -9.617 4.008 -4.107 71 2HG1 ILE 10 2HG1 ILE 10 -10.114 3.887 -5.791 72 1HG2 ILE 10 1HG2 ILE 10 -13.041 3.329 -2.729 73 2HG2 ILE 10 2HG2 ILE 10 -11.410 3.832 -2.283 74 3HG2 ILE 10 3HG2 ILE 10 -12.482 4.952 -3.119 75 1HD1 ILE 10 1HD1 ILE 10 -11.574 5.903 -5.444 76 2HD1 ILE 10 2HD1 ILE 10 -10.890 6.061 -3.826 77 3HD1 ILE 10 3HD1 ILE 10 -9.853 6.235 -5.242 78 H SER 11 H SER 11 -11.800 1.453 -1.821 79 HA SER 11 HA SER 11 -9.080 1.735 -0.820 80 1HB SER 11 1HB SER 11 -11.465 2.096 0.317 81 2HB SER 11 2HB SER 11 -11.271 0.398 0.738 82 HG SER 11 HG SER 11 -10.362 2.211 2.167 83 H ARG 12 H ARG 12 -11.173 -0.963 -1.742 84 HA ARG 12 HA ARG 12 -9.559 -3.100 -0.685 85 1HB ARG 12 1HB ARG 12 -11.824 -2.728 -2.567 86 2HB ARG 12 2HB ARG 12 -10.854 -4.169 -2.846 87 1HG ARG 12 1HG ARG 12 -11.557 -3.645 -0.012 88 2HG ARG 12 2HG ARG 12 -12.904 -4.058 -1.067 89 1HD ARG 12 1HD ARG 12 -12.107 -6.152 -0.240 90 2HD ARG 12 2HD ARG 12 -11.439 -6.034 -1.877 91 HE ARG 12 HE ARG 12 -9.289 -5.352 -0.903 92 1HH1 ARG 12 1HH1 ARG 12 -10.253 -4.257 1.715 93 2HH1 ARG 12 2HH1 ARG 12 -9.793 -5.503 2.822 94 1HH2 ARG 12 1HH2 ARG 12 -9.340 -7.899 0.325 95 2HH2 ARG 12 2HH2 ARG 12 -9.271 -7.591 2.024 96 H PHE 13 H PHE 13 -9.483 -1.238 -3.703 97 HA PHE 13 HA PHE 13 -7.398 -2.931 -4.906 98 1HB PHE 13 1HB PHE 13 -8.487 -2.220 -6.731 99 2HB PHE 13 2HB PHE 13 -9.487 -1.173 -5.750 100 HD1 PHE 13 HD1 PHE 13 -6.469 -1.382 -7.868 101 HD2 PHE 13 HD2 PHE 13 -9.011 1.212 -5.581 102 HE1 PHE 13 HE1 PHE 13 -5.403 0.596 -8.920 103 HE2 PHE 13 HE2 PHE 13 -7.944 3.189 -6.631 104 HZ PHE 13 HZ PHE 13 -6.143 2.881 -8.297 105 H ARG 14 H ARG 14 -7.643 0.341 -3.431 106 HA ARG 14 HA ARG 14 -5.022 1.197 -4.132 107 1HB ARG 14 1HB ARG 14 -5.367 2.961 -2.626 108 2HB ARG 14 2HB ARG 14 -6.977 2.539 -3.183 109 1HG ARG 14 1HG ARG 14 -7.358 1.245 -1.127 110 2HG ARG 14 2HG ARG 14 -5.728 1.613 -0.574 111 1HD ARG 14 1HD ARG 14 -7.183 4.041 -1.322 112 2HD ARG 14 2HD ARG 14 -7.993 3.143 -0.022 113 HE ARG 14 HE ARG 14 -5.082 3.843 0.114 114 1HH1 ARG 14 1HH1 ARG 14 -6.512 1.940 2.077 115 2HH1 ARG 14 2HH1 ARG 14 -6.785 3.001 3.417 116 1HH2 ARG 14 1HH2 ARG 14 -6.178 5.896 1.559 117 2HH2 ARG 14 2HH2 ARG 14 -6.593 5.273 3.117 118 H ARG 15 H ARG 15 -5.934 -1.253 -1.846 119 HA ARG 15 HA ARG 15 -3.791 -1.065 0.040 120 1HB ARG 15 1HB ARG 15 -5.933 -2.465 0.081 121 2HB ARG 15 2HB ARG 15 -5.118 -3.579 -1.016 122 1HG ARG 15 1HG ARG 15 -3.269 -3.788 0.671 123 2HG ARG 15 2HG ARG 15 -4.237 -2.822 1.786 124 1HD ARG 15 1HD ARG 15 -5.995 -4.476 1.825 125 2HD ARG 15 2HD ARG 15 -5.233 -5.395 0.512 126 HE ARG 15 HE ARG 15 -4.153 -5.165 3.283 127 1HH1 ARG 15 1HH2 ARG 15 -5.064 -7.554 1.309 128 2HH1 ARG 15 2HH2 ARG 15 -3.538 -8.354 1.172 129 1HH2 ARG 15 1HH1 ARG 15 -1.743 -5.718 2.590 130 2HH2 ARG 15 2HH1 ARG 15 -1.632 -7.303 1.911 131 H LYS 16 H LYS 16 -4.064 -2.762 -3.102 132 HA LYS 16 HA LYS 16 -1.385 -3.888 -3.053 133 1HB LYS 16 1HB LYS 16 -3.465 -4.618 -4.398 134 2HB LYS 16 2HB LYS 16 -3.113 -3.266 -5.471 135 1HG LYS 16 1HG LYS 16 -0.687 -4.334 -5.492 136 2HG LYS 16 2HG LYS 16 -1.567 -5.793 -5.034 137 1HD LYS 16 1HD LYS 16 -3.087 -5.415 -7.004 138 2HD LYS 16 2HD LYS 16 -2.036 -4.091 -7.498 139 1HE LYS 16 1HE LYS 16 -1.188 -5.900 -8.739 140 2HE LYS 16 2HE LYS 16 -0.120 -5.885 -7.324 141 1HZ LYS 16 1HZ LYS 16 -2.609 -7.506 -7.537 142 2HZ LYS 16 2HZ LYS 16 -1.040 -8.107 -7.776 143 3HZ LYS 16 3HZ LYS 16 -1.492 -7.526 -6.253 144 H ILE 17 H ILE 17 -2.888 -0.990 -4.458 145 HA ILE 17 HA ILE 17 -0.615 0.061 -5.843 146 HB ILE 17 HB ILE 17 -3.256 1.006 -4.787 147 1HG1 ILE 17 1HG1 ILE 17 -3.467 1.754 -7.165 148 2HG1 ILE 17 2HG1 ILE 17 -1.844 1.136 -7.464 149 1HG2 ILE 17 1HG2 ILE 17 -1.063 2.906 -5.647 150 2HG2 ILE 17 2HG2 ILE 17 -2.775 3.329 -5.648 151 3HG2 ILE 17 3HG2 ILE 17 -1.965 2.928 -4.133 152 1HD1 ILE 17 1HD1 ILE 17 -4.165 -0.533 -6.450 153 2HD1 ILE 17 2HD1 ILE 17 -3.631 -0.470 -8.128 154 3HD1 ILE 17 3HD1 ILE 17 -2.562 -1.126 -6.891 155 H ALA 18 H ALA 18 -1.773 0.417 -2.487 156 HA ALA 18 HA ALA 18 0.216 2.277 -1.580 157 1HB ALA 18 1HB ALA 18 -1.432 0.147 -0.173 158 2HB ALA 18 2HB ALA 18 -0.475 1.363 0.674 159 3HB ALA 18 3HB ALA 18 -1.833 1.857 -0.337 160 H LYS 19 H LYS 19 0.178 -1.311 -1.759 161 HA LYS 19 HA LYS 19 2.633 -1.762 -0.334 162 1HB LYS 19 1HB LYS 19 0.691 -3.307 -1.587 163 2HB LYS 19 2HB LYS 19 2.106 -3.569 -2.600 164 1HG LYS 19 1HG LYS 19 1.993 -3.945 0.406 165 2HG LYS 19 2HG LYS 19 1.989 -5.236 -0.791 166 1HD LYS 19 1HD LYS 19 4.216 -4.049 -1.605 167 2HD LYS 19 2HD LYS 19 4.236 -3.432 0.043 168 1HE LYS 19 1HE LYS 19 3.977 -6.378 -0.648 169 2HE LYS 19 2HE LYS 19 5.509 -5.590 -0.258 170 1HZ LYS 19 1HZ LYS 19 3.716 -4.829 1.737 171 2HZ LYS 19 2HZ LYS 19 3.484 -6.489 1.503 172 3HZ LYS 19 3HZ LYS 19 5.026 -5.896 1.874 173 H ARG 20 H ARG 20 1.916 -0.926 -3.688 174 HA ARG 20 HA ARG 20 4.540 -1.265 -4.821 175 1HB ARG 20 1HB ARG 20 2.187 -0.983 -5.897 176 2HB ARG 20 2HB ARG 20 2.437 0.741 -5.662 177 1HG ARG 20 1HG ARG 20 3.404 0.657 -7.706 178 2HG ARG 20 2HG ARG 20 4.806 0.042 -6.834 179 1HD ARG 20 1HD ARG 20 2.718 -1.951 -7.618 180 2HD ARG 20 2HD ARG 20 3.747 -1.299 -8.903 181 HE ARG 20 HE ARG 20 5.309 -2.073 -6.574 182 1HH1 ARG 20 1HH1 ARG 20 6.024 -2.374 -9.528 183 2HH1 ARG 20 2HH1 ARG 20 6.034 -4.094 -9.701 184 1HH2 ARG 20 1HH2 ARG 20 4.308 -4.629 -6.703 185 2HH2 ARG 20 2HH2 ARG 20 5.046 -5.398 -8.068 186 H SER 21 H SER 21 2.817 1.489 -3.325 187 HA SER 21 HA SER 21 4.861 3.483 -3.703 188 1HB SER 21 1HB SER 21 2.353 3.705 -3.072 189 2HB SER 21 2HB SER 21 2.877 3.372 -1.427 190 HG SER 21 HG SER 21 3.213 5.481 -1.451 191 H ILE 22 H ILE 22 4.191 1.158 -1.070 192 HA ILE 22 HA ILE 22 6.134 2.121 0.805 193 HB ILE 22 HB ILE 22 4.868 -0.590 0.299 194 1HG1 ILE 22 1HG1 ILE 22 4.413 1.377 2.559 195 2HG1 ILE 22 2HG1 ILE 22 3.474 1.411 1.069 196 1HG2 ILE 22 1HG2 ILE 22 6.693 0.298 2.552 197 2HG2 ILE 22 2HG2 ILE 22 5.617 -1.095 2.679 198 3HG2 ILE 22 3HG2 ILE 22 6.907 -1.082 1.476 199 1HD1 ILE 22 1HD1 ILE 22 3.407 -1.273 1.850 200 2HD1 ILE 22 2HD1 ILE 22 3.235 -0.374 3.358 201 3HD1 ILE 22 3HD1 ILE 22 2.105 -0.098 2.033 202 H LYS 23 H LYS 23 6.385 -0.203 -1.904 203 HA LYS 23 HA LYS 23 9.073 -1.067 -1.392 204 1HB LYS 23 1HB LYS 23 7.288 -2.059 -2.934 205 2HB LYS 23 2HB LYS 23 7.710 -0.791 -4.087 206 1HG LYS 23 1HG LYS 23 10.006 -1.569 -4.191 207 2HG LYS 23 2HG LYS 23 9.702 -2.764 -2.930 208 1HD LYS 23 1HD LYS 23 7.747 -3.108 -5.003 209 2HD LYS 23 2HD LYS 23 9.346 -3.052 -5.741 210 1HE LYS 23 1HE LYS 23 10.145 -4.807 -4.205 211 2HE LYS 23 2HE LYS 23 8.548 -4.868 -3.435 212 1HZ LYS 23 1HZ LYS 23 7.581 -5.341 -5.641 213 2HZ LYS 23 2HZ LYS 23 9.143 -5.422 -6.296 214 3HZ LYS 23 3HZ LYS 23 8.654 -6.548 -5.126 215 H THR 24 H THR 24 7.806 1.567 -3.509 216 HA THR 24 HA THR 24 10.412 2.488 -4.349 217 HB THR 24 HB THR 24 9.105 4.579 -4.967 218 HG1 THR 24 HG1 THR 24 7.475 4.607 -3.498 219 1HG2 THR 24 1HG2 THR 24 8.587 1.832 -5.903 220 2HG2 THR 24 2HG2 THR 24 7.393 3.034 -6.391 221 3HG2 THR 24 3HG2 THR 24 9.092 3.262 -6.804 222 H LEU 25 H LEU 25 8.269 3.327 -1.637 223 HA LEU 25 HA LEU 25 9.667 5.597 -0.631 224 1HB LEU 25 1HB LEU 25 7.490 3.926 0.103 225 2HB LEU 25 2HB LEU 25 8.574 3.969 1.484 226 HG LEU 25 HG LEU 25 8.415 6.624 0.450 227 1HD1 LEU 25 1HD1 LEU 25 6.298 5.933 -0.613 228 2HD1 LEU 25 2HD1 LEU 25 5.711 5.340 0.942 229 3HD1 LEU 25 3HD1 LEU 25 6.006 7.063 0.709 230 1HD2 LEU 25 1HD2 LEU 25 8.811 5.753 2.819 231 2HD2 LEU 25 2HD2 LEU 25 7.711 7.126 2.687 232 3HD2 LEU 25 3HD2 LEU 25 7.067 5.500 2.920 233 H GLU 26 H GLU 26 10.385 2.142 -0.358 234 HA GLU 26 HA GLU 26 12.461 2.591 1.712 235 1HB GLU 26 1HB GLU 26 10.682 0.524 1.020 236 2HB GLU 26 2HB GLU 26 12.282 -0.082 0.598 237 1HG GLU 26 1HG GLU 26 11.455 1.046 3.284 238 2HG GLU 26 2HG GLU 26 11.727 -0.653 2.916 239 H HIS 27 H HIS 27 12.207 1.578 -1.713 240 HA HIS 27 HA HIS 27 15.122 1.226 -1.945 241 1HB HIS 27 1HB HIS 27 13.241 -0.154 -3.033 242 2HB HIS 27 2HB HIS 27 13.102 1.181 -4.179 243 HD1 HIS 27 HD1 HIS 27 15.402 -1.577 -3.109 244 HD2 HIS 27 HD2 HIS 27 15.343 1.505 -5.918 245 HE1 HIS 27 HE1 HIS 27 17.329 -2.012 -4.694 246 H LYS 28 H LYS 28 12.695 3.393 -3.463 247 HA LYS 28 HA LYS 28 14.520 4.957 -4.983 248 1HB LYS 28 1HB LYS 28 11.888 4.747 -4.919 249 2HB LYS 28 2HB LYS 28 12.023 6.151 -3.863 250 1HG LYS 28 1HG LYS 28 12.105 7.385 -5.745 251 2HG LYS 28 2HG LYS 28 13.748 6.780 -5.945 252 1HD LYS 28 1HD LYS 28 13.143 5.254 -7.562 253 2HD LYS 28 2HD LYS 28 11.520 5.038 -6.908 254 1HE LYS 28 1HE LYS 28 10.877 7.278 -7.749 255 2HE LYS 28 2HE LYS 28 12.501 7.481 -8.432 256 1HZ LYS 28 1HZ LYS 28 10.626 5.265 -9.100 257 2HZ LYS 28 2HZ LYS 28 10.960 6.608 -10.084 258 3HZ LYS 28 3HZ LYS 28 12.186 5.491 -9.751 259 H ARG 29 H ARG 29 13.776 5.197 -1.527 260 HA ARG 29 HA ARG 29 14.601 7.929 -1.161 261 1HB ARG 29 1HB ARG 29 13.281 6.465 0.426 262 2HB ARG 29 2HB ARG 29 14.776 5.609 0.792 263 1HG ARG 29 1HG ARG 29 14.486 7.261 2.501 264 2HG ARG 29 2HG ARG 29 15.781 7.835 1.453 265 1HD ARG 29 1HD ARG 29 13.538 8.910 0.234 266 2HD ARG 29 2HD ARG 29 13.127 9.015 1.954 267 HE ARG 29 HE ARG 29 14.889 10.554 2.254 268 1HH1 ARG 29 1HH2 ARG 29 14.379 11.154 -0.728 269 2HH1 ARG 29 2HH2 ARG 29 15.997 11.174 -1.332 270 1HH2 ARG 29 1HH1 ARG 29 17.324 9.594 1.486 271 2HH2 ARG 29 2HH1 ARG 29 17.691 10.269 -0.061 272 H GLU 30 H GLU 30 16.401 4.875 -0.613 273 HA GLU 30 HA GLU 30 18.954 6.304 -0.353 274 1HB GLU 30 1HB GLU 30 18.237 3.356 -0.426 275 2HB GLU 30 2HB GLU 30 19.822 4.005 -0.004 276 1HG GLU 30 1HG GLU 30 18.500 5.420 1.754 277 2HG GLU 30 2HG GLU 30 17.236 4.215 1.517 278 H ASN 31 H ASN 31 17.184 4.720 -2.950 279 HA ASN 31 HA ASN 31 19.612 4.748 -4.684 280 1HB ASN 31 1HB ASN 31 17.981 2.721 -4.213 281 2HB ASN 31 2HB ASN 31 16.960 3.520 -5.406 282 1HD2 ASN 31 2HD2 ASN 31 18.161 4.072 -7.564 283 2HD2 ASN 31 1HD2 ASN 31 19.307 2.942 -8.101 284 H ALA 32 H ALA 32 18.772 7.244 -4.196 285 HA ALA 32 HA ALA 32 17.059 8.093 -6.509 286 1HB ALA 32 1HB ALA 32 17.339 8.895 -3.671 287 2HB ALA 32 2HB ALA 32 17.193 10.234 -4.810 288 3HB ALA 32 3HB ALA 32 15.940 8.998 -4.737 289 H LYS 33 H LYS 33 18.363 8.798 -8.158 290 HA LYS 33 HA LYS 33 20.155 11.004 -7.915 291 1HB LYS 33 1HB LYS 33 22.302 9.811 -8.373 292 2HB LYS 33 2HB LYS 33 21.643 9.504 -6.779 293 1HG LYS 33 1HG LYS 33 22.051 7.329 -7.312 294 2HG LYS 33 2HG LYS 33 20.522 7.444 -8.175 295 1HD LYS 33 1HD LYS 33 21.594 7.011 -10.103 296 2HD LYS 33 2HD LYS 33 22.513 8.496 -9.909 297 1HE LYS 33 1HE LYS 33 24.173 6.812 -10.067 298 2HE LYS 33 2HE LYS 33 24.042 7.105 -8.324 299 1HZ LYS 33 1HZ LYS 33 22.445 5.042 -9.749 300 2HZ LYS 33 2HZ LYS 33 23.929 4.716 -8.992 301 3HZ LYS 33 3HZ LYS 33 22.604 5.245 -8.071 302 H GLU 34 H GLU 34 19.403 8.102 -9.847 303 HA GLU 34 HA GLU 34 19.087 7.757 -12.091 304 1HB GLU 34 1HB GLU 34 18.465 10.649 -11.670 305 2HB GLU 34 2HB GLU 34 18.625 10.094 -13.333 306 1HG GLU 34 1HG GLU 34 16.764 8.766 -13.226 307 2HG GLU 34 2HG GLU 34 17.003 8.379 -11.524 Start of MODEL 5 1 1H CYS 1 1H CYS 1 -24.432 7.013 -13.509 2 2H CYS 1 2H CYS 1 -24.336 8.033 -12.155 3 3H CYS 1 3H CYS 1 -23.950 8.621 -13.701 4 HA CYS 1 HA CYS 1 -22.009 7.246 -13.840 5 1HB CYS 1 1HB CYS 1 -22.182 9.490 -12.518 6 2HB CYS 1 2HB CYS 1 -21.975 8.480 -11.090 7 HG CYS 1 HG CYS 1 -19.598 8.024 -11.724 8 H ALA 2 H ALA 2 -23.227 6.905 -10.460 9 HA ALA 2 HA ALA 2 -23.221 5.122 -8.979 10 1HB ALA 2 1HB ALA 2 -24.622 4.326 -10.976 11 2HB ALA 2 2HB ALA 2 -23.214 3.369 -11.439 12 3HB ALA 2 3HB ALA 2 -24.007 3.081 -9.891 13 H VAL 3 H VAL 3 -22.037 2.615 -9.053 14 HA VAL 3 HA VAL 3 -20.182 1.415 -8.692 15 HB VAL 3 HB VAL 3 -18.476 1.396 -10.206 16 1HG1 VAL 3 1HG1 VAL 3 -20.763 1.363 -11.301 17 2HG1 VAL 3 2HG1 VAL 3 -20.417 3.007 -11.840 18 3HG1 VAL 3 3HG1 VAL 3 -19.381 1.675 -12.351 19 1HG2 VAL 3 1HG2 VAL 3 -17.794 3.887 -9.660 20 2HG2 VAL 3 2HG2 VAL 3 -17.336 3.158 -11.194 21 3HG2 VAL 3 3HG2 VAL 3 -18.712 4.247 -11.121 22 H GLU 4 H GLU 4 -19.555 4.883 -8.325 23 HA GLU 4 HA GLU 4 -17.673 4.210 -6.098 24 1HB GLU 4 1HB GLU 4 -17.893 6.307 -8.160 25 2HB GLU 4 2HB GLU 4 -17.458 6.908 -6.560 26 1HG GLU 4 1HG GLU 4 -15.497 5.659 -6.466 27 2HG GLU 4 2HG GLU 4 -16.069 4.478 -7.644 28 H LEU 5 H LEU 5 -20.647 4.088 -5.852 29 HA LEU 5 HA LEU 5 -21.354 6.426 -4.183 30 1HB LEU 5 1HB LEU 5 -22.775 5.122 -5.972 31 2HB LEU 5 2HB LEU 5 -23.066 4.001 -4.645 32 HG LEU 5 HG LEU 5 -23.665 6.178 -3.297 33 1HD1 LEU 5 1HD1 LEU 5 -22.897 7.670 -5.190 34 2HD1 LEU 5 2HD1 LEU 5 -24.277 7.089 -6.120 35 3HD1 LEU 5 3HD1 LEU 5 -24.537 7.987 -4.626 36 1HD2 LEU 5 1HD2 LEU 5 -25.393 4.905 -5.440 37 2HD2 LEU 5 2HD2 LEU 5 -25.326 4.492 -3.725 38 3HD2 LEU 5 3HD2 LEU 5 -26.026 6.026 -4.236 39 H ARG 6 H ARG 6 -21.060 2.854 -3.799 40 HA ARG 6 HA ARG 6 -20.276 3.196 -0.974 41 1HB ARG 6 1HB ARG 6 -22.877 3.255 -1.422 42 2HB ARG 6 2HB ARG 6 -22.688 1.507 -1.523 43 1HG ARG 6 1HG ARG 6 -21.268 2.581 0.779 44 2HG ARG 6 2HG ARG 6 -22.967 3.039 0.812 45 1HD ARG 6 1HD ARG 6 -21.941 0.197 0.471 46 2HD ARG 6 2HD ARG 6 -22.611 0.875 1.962 47 HE ARG 6 HE ARG 6 -24.519 1.351 -0.082 48 1HH1 ARG 6 1HH2 ARG 6 -25.234 -0.009 2.437 49 2HH1 ARG 6 2HH2 ARG 6 -25.616 -1.614 1.921 50 1HH2 ARG 6 1HH1 ARG 6 -24.031 -1.268 -1.167 51 2HH2 ARG 6 2HH1 ARG 6 -24.929 -2.336 -0.146 52 H SER 7 H SER 7 -18.913 1.996 -3.284 53 HA SER 7 HA SER 7 -19.002 -0.908 -2.570 54 1HB SER 7 1HB SER 7 -18.734 0.627 -5.077 55 2HB SER 7 2HB SER 7 -17.651 -0.752 -4.937 56 HG SER 7 HG SER 7 -20.482 -0.722 -4.582 57 HA PRO 8 HA PRO 8 -14.912 -0.079 -0.955 58 1HB PRO 8 1HB PRO 8 -14.569 -2.493 0.251 59 2HB PRO 8 2HB PRO 8 -15.567 -1.192 0.929 60 1HG PRO 8 1HG PRO 8 -16.383 -3.700 -0.349 61 2HG PRO 8 2HG PRO 8 -17.237 -2.690 0.823 62 1HD PRO 8 1HD PRO 8 -17.690 -2.828 -1.950 63 2HD PRO 8 2HD PRO 8 -18.402 -1.678 -0.797 64 H GLY 9 H GLY 9 -15.608 -1.911 -3.661 65 1HA GLY 9 1HA GLY 9 -13.457 -3.721 -3.955 66 2HA GLY 9 2HA GLY 9 -14.288 -2.922 -5.292 67 H ILE 10 H ILE 10 -13.682 -0.298 -5.014 68 HA ILE 10 HA ILE 10 -11.027 -0.061 -5.999 69 HB ILE 10 HB ILE 10 -13.021 1.433 -6.333 70 1HG1 ILE 10 1HG1 ILE 10 -10.604 1.994 -6.902 71 2HG1 ILE 10 2HG1 ILE 10 -11.736 3.333 -6.786 72 1HG2 ILE 10 1HG2 ILE 10 -13.691 1.677 -3.971 73 2HG2 ILE 10 2HG2 ILE 10 -12.251 2.653 -3.680 74 3HG2 ILE 10 3HG2 ILE 10 -13.496 3.227 -4.787 75 1HD1 ILE 10 1HD1 ILE 10 -10.672 3.035 -4.190 76 2HD1 ILE 10 2HD1 ILE 10 -9.303 2.856 -5.287 77 3HD1 ILE 10 3HD1 ILE 10 -10.301 4.309 -5.348 78 H SER 11 H SER 11 -12.308 0.309 -2.699 79 HA SER 11 HA SER 11 -9.981 1.373 -1.430 80 1HB SER 11 1HB SER 11 -11.780 -0.555 -0.009 81 2HB SER 11 2HB SER 11 -11.155 0.991 0.529 82 HG SER 11 HG SER 11 -13.280 1.333 0.073 83 H ARG 12 H ARG 12 -11.057 -1.995 -1.950 84 HA ARG 12 HA ARG 12 -8.983 -3.378 -0.584 85 1HB ARG 12 1HB ARG 12 -11.198 -4.181 -1.677 86 2HB ARG 12 2HB ARG 12 -10.264 -4.292 -3.167 87 1HG ARG 12 1HG ARG 12 -8.989 -6.053 -2.409 88 2HG ARG 12 2HG ARG 12 -9.104 -5.558 -0.723 89 1HD ARG 12 1HD ARG 12 -11.051 -6.725 -0.376 90 2HD ARG 12 2HD ARG 12 -11.661 -6.401 -2.010 91 HE ARG 12 HE ARG 12 -10.373 -8.241 -2.844 92 1HH1 ARG 12 1HH1 ARG 12 -7.981 -7.732 -1.021 93 2HH1 ARG 12 2HH1 ARG 12 -7.976 -9.158 -0.046 94 1HH2 ARG 12 1HH2 ARG 12 -11.237 -10.057 -0.936 95 2HH2 ARG 12 2HH2 ARG 12 -9.854 -10.498 0.002 96 H PHE 13 H PHE 13 -9.129 -2.000 -3.840 97 HA PHE 13 HA PHE 13 -6.482 -2.986 -4.645 98 1HB PHE 13 1HB PHE 13 -7.802 -2.885 -6.501 99 2HB PHE 13 2HB PHE 13 -8.881 -1.706 -5.789 100 HD1 PHE 13 HD1 PHE 13 -5.442 -2.004 -7.284 101 HD2 PHE 13 HD2 PHE 13 -8.886 0.473 -6.598 102 HE1 PHE 13 HE1 PHE 13 -4.466 -0.242 -8.729 103 HE2 PHE 13 HE2 PHE 13 -7.909 2.234 -8.041 104 HZ PHE 13 HZ PHE 13 -5.699 1.878 -9.108 105 H ARG 14 H ARG 14 -7.912 0.004 -3.369 106 HA ARG 14 HA ARG 14 -5.837 1.862 -3.863 107 1HB ARG 14 1HB ARG 14 -8.209 1.640 -2.240 108 2HB ARG 14 2HB ARG 14 -6.918 2.358 -1.282 109 1HG ARG 14 1HG ARG 14 -6.564 4.093 -2.917 110 2HG ARG 14 2HG ARG 14 -7.663 3.313 -4.057 111 1HD ARG 14 1HD ARG 14 -9.530 3.625 -2.417 112 2HD ARG 14 2HD ARG 14 -8.419 4.536 -1.378 113 HE ARG 14 HE ARG 14 -8.463 5.522 -4.130 114 1HH1 ARG 14 1HH1 ARG 14 -8.045 7.176 -1.621 115 2HH1 ARG 14 2HH1 ARG 14 -9.513 8.085 -1.558 116 1HH2 ARG 14 1HH2 ARG 14 -11.187 6.009 -3.809 117 2HH2 ARG 14 2HH2 ARG 14 -11.319 7.419 -2.819 118 H ARG 15 H ARG 15 -6.247 -0.356 -1.054 119 HA ARG 15 HA ARG 15 -3.854 0.470 0.288 120 1HB ARG 15 1HB ARG 15 -4.187 -1.474 1.657 121 2HB ARG 15 2HB ARG 15 -5.778 -0.862 1.241 122 1HG ARG 15 1HG ARG 15 -6.243 -2.991 0.625 123 2HG ARG 15 2HG ARG 15 -5.275 -2.660 -0.805 124 1HD ARG 15 1HD ARG 15 -4.244 -4.594 0.031 125 2HD ARG 15 2HD ARG 15 -3.247 -3.322 0.756 126 HE ARG 15 HE ARG 15 -5.561 -4.049 2.403 127 1HH1 ARG 15 1HH2 ARG 15 -4.172 -6.624 2.150 128 2HH1 ARG 15 2HH2 ARG 15 -2.976 -6.557 3.396 129 1HH2 ARG 15 1HH1 ARG 15 -3.204 -3.092 3.768 130 2HH2 ARG 15 2HH1 ARG 15 -2.420 -4.527 4.328 131 H LYS 16 H LYS 16 -4.375 -1.736 -2.419 132 HA LYS 16 HA LYS 16 -1.757 -2.975 -2.342 133 1HB LYS 16 1HB LYS 16 -4.005 -3.662 -3.538 134 2HB LYS 16 2HB LYS 16 -3.426 -2.608 -4.828 135 1HG LYS 16 1HG LYS 16 -1.188 -3.972 -4.522 136 2HG LYS 16 2HG LYS 16 -2.263 -5.184 -3.825 137 1HD LYS 16 1HD LYS 16 -3.407 -4.127 -6.263 138 2HD LYS 16 2HD LYS 16 -1.773 -4.707 -6.566 139 1HE LYS 16 1HE LYS 16 -3.224 -6.576 -4.866 140 2HE LYS 16 2HE LYS 16 -4.088 -6.291 -6.387 141 1HZ LYS 16 1HZ LYS 16 -1.180 -6.904 -6.213 142 2HZ LYS 16 2HZ LYS 16 -2.380 -8.044 -6.557 143 3HZ LYS 16 3HZ LYS 16 -2.115 -6.758 -7.629 144 H ILE 17 H ILE 17 -3.117 -0.042 -3.830 145 HA ILE 17 HA ILE 17 -0.891 0.615 -5.536 146 HB ILE 17 HB ILE 17 -2.881 2.412 -4.085 147 1HG1 ILE 17 1HG1 ILE 17 -3.057 1.558 -6.978 148 2HG1 ILE 17 2HG1 ILE 17 -3.778 0.574 -5.705 149 1HG2 ILE 17 1HG2 ILE 17 -1.183 2.942 -6.542 150 2HG2 ILE 17 2HG2 ILE 17 -2.402 4.033 -5.884 151 3HG2 ILE 17 3HG2 ILE 17 -0.954 3.664 -4.950 152 1HD1 ILE 17 1HD1 ILE 17 -4.605 3.174 -5.103 153 2HD1 ILE 17 2HD1 ILE 17 -4.727 3.073 -6.859 154 3HD1 ILE 17 3HD1 ILE 17 -5.585 1.913 -5.848 155 H ALA 18 H ALA 18 -1.764 1.477 -2.183 156 HA ALA 18 HA ALA 18 0.522 3.082 -1.564 157 1HB ALA 18 1HB ALA 18 -1.545 1.540 -0.019 158 2HB ALA 18 2HB ALA 18 -0.185 2.268 0.837 159 3HB ALA 18 3HB ALA 18 -1.283 3.283 -0.097 160 H LYS 19 H LYS 19 0.000 -0.470 -1.217 161 HA LYS 19 HA LYS 19 2.484 -0.941 0.143 162 1HB LYS 19 1HB LYS 19 1.950 -3.207 -0.083 163 2HB LYS 19 2HB LYS 19 0.384 -2.418 -0.102 164 1HG LYS 19 1HG LYS 19 -0.061 -3.415 -2.063 165 2HG LYS 19 2HG LYS 19 1.277 -2.546 -2.805 166 1HD LYS 19 1HD LYS 19 2.832 -4.307 -2.193 167 2HD LYS 19 2HD LYS 19 1.577 -5.148 -1.285 168 1HE LYS 19 1HE LYS 19 1.207 -6.306 -3.209 169 2HE LYS 19 2HE LYS 19 0.391 -4.839 -3.775 170 1HZ LYS 19 1HZ LYS 19 2.680 -4.033 -4.440 171 2HZ LYS 19 2HZ LYS 19 3.213 -5.629 -4.196 172 3HZ LYS 19 3HZ LYS 19 2.037 -5.294 -5.370 173 H ARG 20 H ARG 20 1.757 -0.401 -3.231 174 HA ARG 20 HA ARG 20 4.303 -1.438 -4.249 175 1HB ARG 20 1HB ARG 20 1.912 -1.113 -5.385 176 2HB ARG 20 2HB ARG 20 2.527 0.509 -5.704 177 1HG ARG 20 1HG ARG 20 3.333 -0.515 -7.593 178 2HG ARG 20 2HG ARG 20 4.672 -0.892 -6.512 179 1HD ARG 20 1HD ARG 20 3.562 -3.071 -5.965 180 2HD ARG 20 2HD ARG 20 2.333 -2.713 -7.193 181 HE ARG 20 HE ARG 20 5.228 -3.176 -7.754 182 1HH1 ARG 20 1HH2 ARG 20 2.844 -4.859 -8.762 183 2HH1 ARG 20 2HH2 ARG 20 2.763 -4.335 -10.408 184 1HH2 ARG 20 1HH1 ARG 20 4.755 -1.526 -9.902 185 2HH2 ARG 20 2HH1 ARG 20 3.851 -2.438 -11.056 186 H SER 21 H SER 21 2.876 1.704 -3.321 187 HA SER 21 HA SER 21 5.002 3.419 -4.201 188 1HB SER 21 1HB SER 21 3.016 3.634 -1.905 189 2HB SER 21 2HB SER 21 4.029 4.958 -2.463 190 HG SER 21 HG SER 21 2.063 5.107 -3.515 191 H ILE 22 H ILE 22 4.375 1.701 -1.139 192 HA ILE 22 HA ILE 22 6.617 2.641 0.365 193 HB ILE 22 HB ILE 22 4.993 0.076 0.451 194 1HG1 ILE 22 1HG1 ILE 22 4.961 2.365 2.423 195 2HG1 ILE 22 2HG1 ILE 22 3.974 2.412 0.963 196 1HG2 ILE 22 1HG2 ILE 22 7.213 1.060 2.243 197 2HG2 ILE 22 2HG2 ILE 22 5.924 0.043 2.886 198 3HG2 ILE 22 3HG2 ILE 22 6.957 -0.556 1.589 199 1HD1 ILE 22 1HD1 ILE 22 3.128 0.081 1.685 200 2HD1 ILE 22 2HD1 ILE 22 3.822 0.461 3.261 201 3HD1 ILE 22 3HD1 ILE 22 2.543 1.474 2.592 202 H LYS 23 H LYS 23 6.280 -0.100 -1.933 203 HA LYS 23 HA LYS 23 8.783 -1.366 -1.508 204 1HB LYS 23 1HB LYS 23 7.226 -0.931 -4.080 205 2HB LYS 23 2HB LYS 23 8.532 -2.094 -3.885 206 1HG LYS 23 1HG LYS 23 6.828 -2.659 -1.751 207 2HG LYS 23 2HG LYS 23 5.732 -2.292 -3.081 208 1HD LYS 23 1HD LYS 23 6.668 -3.989 -4.466 209 2HD LYS 23 2HD LYS 23 8.055 -4.197 -3.395 210 1HE LYS 23 1HE LYS 23 6.255 -4.812 -1.587 211 2HE LYS 23 2HE LYS 23 5.213 -5.115 -2.989 212 1HZ LYS 23 1HZ LYS 23 7.923 -6.267 -2.583 213 2HZ LYS 23 2HZ LYS 23 6.464 -7.100 -2.383 214 3HZ LYS 23 3HZ LYS 23 6.914 -6.546 -3.923 215 H THR 24 H THR 24 7.954 1.348 -3.701 216 HA THR 24 HA THR 24 10.622 1.779 -4.712 217 HB THR 24 HB THR 24 8.375 3.802 -4.376 218 HG1 THR 24 HG1 THR 24 7.347 2.384 -5.558 219 1HG2 THR 24 1HG2 THR 24 10.653 3.560 -6.355 220 2HG2 THR 24 2HG2 THR 24 9.335 4.722 -6.489 221 3HG2 THR 24 3HG2 THR 24 10.450 4.808 -5.125 222 H LEU 25 H LEU 25 8.781 3.132 -1.983 223 HA LEU 25 HA LEU 25 10.685 5.058 -1.057 224 1HB LEU 25 1HB LEU 25 8.227 3.713 -0.145 225 2HB LEU 25 2HB LEU 25 9.301 4.146 1.172 226 HG LEU 25 HG LEU 25 7.637 5.911 0.648 227 1HD1 LEU 25 1HD1 LEU 25 10.511 6.685 0.083 228 2HD1 LEU 25 2HD1 LEU 25 9.227 7.790 0.568 229 3HD1 LEU 25 3HD1 LEU 25 9.769 6.532 1.675 230 1HD2 LEU 25 1HD2 LEU 25 7.508 5.528 -1.798 231 2HD2 LEU 25 2HD2 LEU 25 7.867 7.214 -1.426 232 3HD2 LEU 25 3HD2 LEU 25 9.154 6.141 -1.974 233 H GLU 26 H GLU 26 10.193 1.615 -0.254 234 HA GLU 26 HA GLU 26 12.187 1.394 1.785 235 1HB GLU 26 1HB GLU 26 10.392 -0.323 0.291 236 2HB GLU 26 2HB GLU 26 11.977 -1.082 0.437 237 1HG GLU 26 1HG GLU 26 10.574 0.153 2.810 238 2HG GLU 26 2HG GLU 26 10.327 -1.530 2.341 239 H HIS 27 H HIS 27 12.366 0.871 -1.751 240 HA HIS 27 HA HIS 27 15.054 -0.096 -1.879 241 1HB HIS 27 1HB HIS 27 13.259 1.436 -3.777 242 2HB HIS 27 2HB HIS 27 14.872 0.923 -4.245 243 HD1 HIS 27 HD1 HIS 27 13.268 -1.543 -2.024 244 HD2 HIS 27 HD2 HIS 27 13.325 -0.763 -6.121 245 HE1 HIS 27 HE1 HIS 27 12.398 -3.623 -3.158 246 H LYS 28 H LYS 28 13.736 3.221 -1.899 247 HA LYS 28 HA LYS 28 16.306 4.513 -2.260 248 1HB LYS 28 1HB LYS 28 13.599 5.222 -2.331 249 2HB LYS 28 2HB LYS 28 14.254 6.130 -0.970 250 1HG LYS 28 1HG LYS 28 15.721 7.340 -2.292 251 2HG LYS 28 2HG LYS 28 15.819 6.081 -3.523 252 1HD LYS 28 1HD LYS 28 13.307 6.604 -3.943 253 2HD LYS 28 2HD LYS 28 13.634 8.108 -3.085 254 1HE LYS 28 1HE LYS 28 15.679 7.532 -5.104 255 2HE LYS 28 2HE LYS 28 14.058 7.677 -5.804 256 1HZ LYS 28 1HZ LYS 28 15.285 9.631 -3.922 257 2HZ LYS 28 2HZ LYS 28 15.137 9.843 -5.593 258 3HZ LYS 28 3HZ LYS 28 13.743 9.755 -4.630 259 H ARG 29 H ARG 29 14.864 3.047 0.541 260 HA ARG 29 HA ARG 29 16.481 4.742 2.387 261 1HB ARG 29 1HB ARG 29 13.999 4.310 2.716 262 2HB ARG 29 2HB ARG 29 14.416 2.626 3.043 263 1HG ARG 29 1HG ARG 29 15.870 3.312 4.890 264 2HG ARG 29 2HG ARG 29 15.532 5.007 4.553 265 1HD ARG 29 1HD ARG 29 13.635 4.928 5.782 266 2HD ARG 29 2HD ARG 29 13.042 3.539 4.851 267 HE ARG 29 HE ARG 29 14.046 2.059 6.439 268 1HH1 ARG 29 1HH2 ARG 29 13.025 4.328 8.263 269 2HH1 ARG 29 2HH2 ARG 29 14.374 4.521 9.325 270 1HH2 ARG 29 1HH1 ARG 29 16.560 2.734 7.267 271 2HH2 ARG 29 2HH1 ARG 29 16.406 3.605 8.756 272 H GLU 30 H GLU 30 15.835 1.287 1.640 273 HA GLU 30 HA GLU 30 18.070 0.356 3.289 274 1HB GLU 30 1HB GLU 30 15.713 -0.717 2.445 275 2HB GLU 30 2HB GLU 30 16.826 -1.437 1.284 276 1HG GLU 30 1HG GLU 30 17.212 -1.517 4.290 277 2HG GLU 30 2HG GLU 30 16.498 -2.818 3.346 278 H ASN 31 H ASN 31 17.471 0.729 -0.238 279 HA ASN 31 HA ASN 31 20.248 -0.182 -0.798 280 1HB ASN 31 1HB ASN 31 17.863 0.450 -2.565 281 2HB ASN 31 2HB ASN 31 19.419 -0.092 -3.169 282 1HD2 ASN 31 2HD2 ASN 31 20.180 -2.284 -1.903 283 2HD2 ASN 31 1HD2 ASN 31 18.946 -3.438 -1.737 284 H ALA 32 H ALA 32 20.219 2.221 0.574 285 HA ALA 32 HA ALA 32 20.582 4.387 -1.451 286 1HB ALA 32 1HB ALA 32 19.066 4.607 0.571 287 2HB ALA 32 2HB ALA 32 20.519 4.559 1.569 288 3HB ALA 32 3HB ALA 32 20.288 5.869 0.411 289 H LYS 33 H LYS 33 22.592 5.419 -1.666 290 HA LYS 33 HA LYS 33 24.907 4.225 -0.174 291 1HB LYS 33 1HB LYS 33 24.394 4.033 -2.815 292 2HB LYS 33 2HB LYS 33 25.260 5.566 -2.812 293 1HG LYS 33 1HG LYS 33 26.438 3.307 -1.250 294 2HG LYS 33 2HG LYS 33 26.537 3.224 -3.006 295 1HD LYS 33 1HD LYS 33 27.271 5.834 -1.789 296 2HD LYS 33 2HD LYS 33 28.376 4.501 -1.476 297 1HE LYS 33 1HE LYS 33 27.423 4.926 -4.292 298 2HE LYS 33 2HE LYS 33 28.681 5.992 -3.645 299 1HZ LYS 33 1HZ LYS 33 28.806 3.025 -3.463 300 2HZ LYS 33 2HZ LYS 33 29.542 3.919 -4.699 301 3HZ LYS 33 3HZ LYS 33 30.036 4.139 -3.090 302 H GLU 34 H GLU 34 26.151 5.646 0.969 303 HA GLU 34 HA GLU 34 25.935 8.563 0.394 304 1HB GLU 34 1HB GLU 34 26.073 8.802 2.967 305 2HB GLU 34 2HB GLU 34 24.537 8.338 2.256 306 1HG GLU 34 1HG GLU 34 24.647 6.184 3.105 307 2HG GLU 34 2HG GLU 34 26.408 6.157 3.110 Start of MODEL 6 1 1H CYS 1 1H CYS 1 -8.543 -11.822 6.885 2 2H CYS 1 2H CYS 1 -8.235 -10.823 8.222 3 3H CYS 1 3H CYS 1 -8.609 -12.459 8.456 4 HA CYS 1 HA CYS 1 -10.851 -12.142 7.654 5 1HB CYS 1 1HB CYS 1 -9.703 -10.448 9.848 6 2HB CYS 1 2HB CYS 1 -11.417 -10.303 9.469 7 HG CYS 1 HG CYS 1 -11.820 -12.676 10.244 8 H ALA 2 H ALA 2 -12.370 -10.852 6.557 9 HA ALA 2 HA ALA 2 -11.855 -8.022 5.925 10 1HB ALA 2 1HB ALA 2 -11.472 -10.279 3.957 11 2HB ALA 2 2HB ALA 2 -11.862 -8.649 3.413 12 3HB ALA 2 3HB ALA 2 -10.381 -8.942 4.323 13 H VAL 3 H VAL 3 -14.045 -9.009 7.259 14 HA VAL 3 HA VAL 3 -16.237 -9.015 5.221 15 HB VAL 3 HB VAL 3 -17.579 -10.195 6.964 16 1HG1 VAL 3 1HG1 VAL 3 -16.436 -11.412 5.155 17 2HG1 VAL 3 2HG1 VAL 3 -15.011 -11.588 6.179 18 3HG1 VAL 3 3HG1 VAL 3 -16.525 -12.369 6.632 19 1HG2 VAL 3 1HG2 VAL 3 -16.186 -9.474 8.945 20 2HG2 VAL 3 2HG2 VAL 3 -16.497 -11.207 8.882 21 3HG2 VAL 3 3HG2 VAL 3 -14.925 -10.578 8.394 22 H GLU 4 H GLU 4 -15.231 -7.617 8.341 23 HA GLU 4 HA GLU 4 -17.637 -5.943 8.507 24 1HB GLU 4 1HB GLU 4 -15.105 -6.299 10.105 25 2HB GLU 4 2HB GLU 4 -16.261 -5.026 10.486 26 1HG GLU 4 1HG GLU 4 -17.370 -7.767 10.106 27 2HG GLU 4 2HG GLU 4 -16.427 -7.483 11.567 28 H LEU 5 H LEU 5 -15.583 -5.603 6.172 29 HA LEU 5 HA LEU 5 -14.928 -2.714 6.595 30 1HB LEU 5 1HB LEU 5 -13.536 -5.061 5.595 31 2HB LEU 5 2HB LEU 5 -13.567 -3.806 4.369 32 HG LEU 5 HG LEU 5 -11.565 -3.693 5.817 33 1HD1 LEU 5 1HD1 LEU 5 -13.341 -1.562 5.158 34 2HD1 LEU 5 2HD1 LEU 5 -12.604 -1.202 6.720 35 3HD1 LEU 5 3HD1 LEU 5 -11.586 -1.525 5.317 36 1HD2 LEU 5 1HD2 LEU 5 -13.564 -3.059 8.015 37 2HD2 LEU 5 2HD2 LEU 5 -12.559 -4.505 7.917 38 3HD2 LEU 5 3HD2 LEU 5 -11.814 -2.928 8.162 39 H ARG 6 H ARG 6 -17.567 -3.544 5.895 40 HA ARG 6 HA ARG 6 -19.252 -3.446 4.340 41 1HB ARG 6 1HB ARG 6 -19.437 -1.210 3.390 42 2HB ARG 6 2HB ARG 6 -18.857 -1.153 5.043 43 1HG ARG 6 1HG ARG 6 -16.857 -0.243 4.432 44 2HG ARG 6 2HG ARG 6 -16.729 -1.237 2.984 45 1HD ARG 6 1HD ARG 6 -18.867 0.842 2.972 46 2HD ARG 6 2HD ARG 6 -17.189 1.401 2.842 47 HE ARG 6 HE ARG 6 -17.558 -0.846 1.103 48 1HH1 ARG 6 1HH1 ARG 6 -17.222 2.532 1.131 49 2HH1 ARG 6 2HH1 ARG 6 -17.890 2.767 -0.443 50 1HH2 ARG 6 1HH2 ARG 6 -18.916 -0.541 -0.806 51 2HH2 ARG 6 2HH2 ARG 6 -18.858 1.020 -1.550 52 H SER 7 H SER 7 -17.691 -5.302 3.365 53 HA SER 7 HA SER 7 -17.307 -6.570 1.485 54 1HB SER 7 1HB SER 7 -19.448 -4.984 0.868 55 2HB SER 7 2HB SER 7 -18.338 -4.594 -0.438 56 HG SER 7 HG SER 7 -19.799 -6.831 -0.009 57 HA PRO 8 HA PRO 8 -13.412 -4.847 0.170 58 1HB PRO 8 1HB PRO 8 -12.517 -7.010 -1.229 59 2HB PRO 8 2HB PRO 8 -12.514 -6.935 0.544 60 1HG PRO 8 1HG PRO 8 -14.377 -8.336 -1.279 61 2HG PRO 8 2HG PRO 8 -13.776 -8.814 0.317 62 1HD PRO 8 1HD PRO 8 -16.260 -7.767 -0.145 63 2HD PRO 8 2HD PRO 8 -15.409 -7.692 1.415 64 H GLY 9 H GLY 9 -12.238 -4.552 -2.021 65 1HA GLY 9 1HA GLY 9 -13.060 -4.997 -4.562 66 2HA GLY 9 2HA GLY 9 -14.193 -3.747 -4.061 67 H ILE 10 H ILE 10 -13.572 -1.708 -4.472 68 HA ILE 10 HA ILE 10 -11.060 -1.022 -5.628 69 HB ILE 10 HB ILE 10 -13.331 0.009 -5.922 70 1HG1 ILE 10 1HG1 ILE 10 -11.127 0.974 -6.722 71 2HG1 ILE 10 2HG1 ILE 10 -12.471 2.094 -6.570 72 1HG2 ILE 10 1HG2 ILE 10 -13.972 0.334 -3.597 73 2HG2 ILE 10 2HG2 ILE 10 -12.659 1.494 -3.379 74 3HG2 ILE 10 3HG2 ILE 10 -13.991 1.863 -4.472 75 1HD1 ILE 10 1HD1 ILE 10 -11.284 2.293 -4.086 76 2HD1 ILE 10 2HD1 ILE 10 -9.897 2.040 -5.145 77 3HD1 ILE 10 3HD1 ILE 10 -10.993 3.389 -5.433 78 H SER 11 H SER 11 -12.219 -0.543 -2.252 79 HA SER 11 HA SER 11 -9.979 0.990 -1.357 80 1HB SER 11 1HB SER 11 -11.981 -0.828 -0.009 81 2HB SER 11 2HB SER 11 -10.694 -0.051 0.905 82 HG SER 11 HG SER 11 -12.781 1.133 0.649 83 H ARG 12 H ARG 12 -10.475 -2.540 -1.531 84 HA ARG 12 HA ARG 12 -8.038 -3.338 -0.233 85 1HB ARG 12 1HB ARG 12 -9.723 -4.682 -2.377 86 2HB ARG 12 2HB ARG 12 -8.481 -5.493 -1.436 87 1HG ARG 12 1HG ARG 12 -10.932 -4.159 -0.246 88 2HG ARG 12 2HG ARG 12 -10.795 -5.880 -0.583 89 1HD ARG 12 1HD ARG 12 -8.542 -5.522 0.897 90 2HD ARG 12 2HD ARG 12 -9.597 -4.286 1.613 91 HE ARG 12 HE ARG 12 -10.574 -7.095 1.270 92 1HH1 ARG 12 1HH2 ARG 12 -8.921 -6.075 3.745 93 2HH1 ARG 12 2HH2 ARG 12 -10.206 -5.870 4.882 94 1HH2 ARG 12 1HH1 ARG 12 -12.721 -6.058 2.484 95 2HH2 ARG 12 2HH1 ARG 12 -12.361 -5.872 4.166 96 H PHE 13 H PHE 13 -8.780 -2.234 -3.490 97 HA PHE 13 HA PHE 13 -6.152 -2.953 -4.601 98 1HB PHE 13 1HB PHE 13 -7.719 -3.213 -6.248 99 2HB PHE 13 2HB PHE 13 -8.843 -2.102 -5.493 100 HD1 PHE 13 HD1 PHE 13 -5.797 -2.315 -7.633 101 HD2 PHE 13 HD2 PHE 13 -9.034 0.145 -6.240 102 HE1 PHE 13 HE1 PHE 13 -5.224 -0.594 -9.328 103 HE2 PHE 13 HE2 PHE 13 -8.461 1.860 -7.936 104 HZ PHE 13 HZ PHE 13 -6.556 1.490 -9.478 105 H ARG 14 H ARG 14 -7.886 -0.116 -3.382 106 HA ARG 14 HA ARG 14 -6.159 1.984 -4.233 107 1HB ARG 14 1HB ARG 14 -8.503 1.869 -2.982 108 2HB ARG 14 2HB ARG 14 -7.498 1.961 -1.539 109 1HG ARG 14 1HG ARG 14 -6.374 3.975 -2.838 110 2HG ARG 14 2HG ARG 14 -7.913 3.992 -3.700 111 1HD ARG 14 1HD ARG 14 -8.848 5.101 -1.974 112 2HD ARG 14 2HD ARG 14 -8.533 3.707 -0.928 113 HE ARG 14 HE ARG 14 -6.067 5.035 -1.133 114 1HH1 ARG 14 1HH2 ARG 14 -7.357 4.652 1.487 115 2HH1 ARG 14 2HH2 ARG 14 -7.716 6.266 1.993 116 1HH2 ARG 14 1HH1 ARG 14 -7.356 7.607 -1.214 117 2HH2 ARG 14 2HH1 ARG 14 -7.715 7.967 0.438 118 H ARG 15 H ARG 15 -6.162 0.065 -1.198 119 HA ARG 15 HA ARG 15 -3.789 1.222 -0.085 120 1HB ARG 15 1HB ARG 15 -3.812 -0.792 1.378 121 2HB ARG 15 2HB ARG 15 -5.386 -0.027 1.265 122 1HG ARG 15 1HG ARG 15 -6.002 -2.229 0.965 123 2HG ARG 15 2HG ARG 15 -5.714 -1.784 -0.711 124 1HD ARG 15 1HD ARG 15 -3.773 -3.030 -0.857 125 2HD ARG 15 2HD ARG 15 -3.374 -2.814 0.860 126 HE ARG 15 HE ARG 15 -5.527 -4.642 -0.133 127 1HH1 ARG 15 1HH1 ARG 15 -5.483 -3.567 2.770 128 2HH1 ARG 15 2HH1 ARG 15 -4.733 -4.890 3.592 129 1HH2 ARG 15 1HH2 ARG 15 -3.558 -6.374 0.661 130 2HH2 ARG 15 2HH2 ARG 15 -3.630 -6.492 2.381 131 H LYS 16 H LYS 16 -4.260 -1.393 -2.430 132 HA LYS 16 HA LYS 16 -1.603 -2.490 -2.355 133 1HB LYS 16 1HB LYS 16 -3.914 -2.477 -4.285 134 2HB LYS 16 2HB LYS 16 -2.350 -3.053 -4.846 135 1HG LYS 16 1HG LYS 16 -2.354 -4.544 -2.733 136 2HG LYS 16 2HG LYS 16 -4.076 -4.181 -2.646 137 1HD LYS 16 1HD LYS 16 -2.784 -5.244 -5.164 138 2HD LYS 16 2HD LYS 16 -3.422 -6.308 -3.916 139 1HE LYS 16 1HE LYS 16 -5.653 -5.228 -4.142 140 2HE LYS 16 2HE LYS 16 -5.009 -4.211 -5.442 141 1HZ LYS 16 1HZ LYS 16 -4.350 -6.268 -6.625 142 2HZ LYS 16 2HZ LYS 16 -5.126 -7.182 -5.421 143 3HZ LYS 16 3HZ LYS 16 -6.025 -6.137 -6.408 144 H ILE 17 H ILE 17 -3.091 0.182 -4.183 145 HA ILE 17 HA ILE 17 -0.899 0.787 -5.926 146 HB ILE 17 HB ILE 17 -3.042 2.552 -4.665 147 1HG1 ILE 17 1HG1 ILE 17 -3.087 1.605 -7.513 148 2HG1 ILE 17 2HG1 ILE 17 -3.589 0.484 -6.246 149 1HG2 ILE 17 1HG2 ILE 17 -1.138 3.867 -5.584 150 2HG2 ILE 17 2HG2 ILE 17 -1.365 3.069 -7.141 151 3HG2 ILE 17 3HG2 ILE 17 -2.627 4.117 -6.493 152 1HD1 ILE 17 1HD1 ILE 17 -4.921 2.731 -5.476 153 2HD1 ILE 17 2HD1 ILE 17 -4.923 2.934 -7.228 154 3HD1 ILE 17 3HD1 ILE 17 -5.616 1.481 -6.507 155 H ALA 18 H ALA 18 -1.816 2.063 -2.703 156 HA ALA 18 HA ALA 18 0.507 3.729 -2.341 157 1HB ALA 18 1HB ALA 18 -1.628 2.528 -0.588 158 2HB ALA 18 2HB ALA 18 -0.254 3.344 0.156 159 3HB ALA 18 3HB ALA 18 -1.311 4.226 -0.946 160 H LYS 19 H LYS 19 -0.202 0.333 -1.470 161 HA LYS 19 HA LYS 19 2.089 -0.272 0.086 162 1HB LYS 19 1HB LYS 19 0.044 -1.704 -1.473 163 2HB LYS 19 2HB LYS 19 1.576 -2.564 -1.384 164 1HG LYS 19 1HG LYS 19 0.885 -1.452 1.207 165 2HG LYS 19 2HG LYS 19 -0.417 -2.469 0.596 166 1HD LYS 19 1HD LYS 19 0.873 -4.380 0.590 167 2HD LYS 19 2HD LYS 19 2.378 -3.496 0.338 168 1HE LYS 19 1HE LYS 19 1.557 -2.568 2.819 169 2HE LYS 19 2HE LYS 19 1.084 -4.278 2.859 170 1HZ LYS 19 1HZ LYS 19 3.317 -4.844 2.018 171 2HZ LYS 19 2HZ LYS 19 3.764 -3.208 2.146 172 3HZ LYS 19 3HZ LYS 19 3.368 -4.086 3.536 173 H ARG 20 H ARG 20 1.662 -0.168 -3.442 174 HA ARG 20 HA ARG 20 4.266 -1.221 -4.151 175 1HB ARG 20 1HB ARG 20 2.092 -1.053 -5.530 176 2HB ARG 20 2HB ARG 20 2.512 0.640 -5.776 177 1HG ARG 20 1HG ARG 20 4.768 -1.149 -6.299 178 2HG ARG 20 2HG ARG 20 3.380 -1.497 -7.329 179 1HD ARG 20 1HD ARG 20 3.286 0.888 -8.005 180 2HD ARG 20 2HD ARG 20 4.710 1.216 -6.999 181 HE ARG 20 HE ARG 20 5.276 -0.986 -8.760 182 1HH1 ARG 20 1HH1 ARG 20 7.206 1.236 -8.347 183 2HH1 ARG 20 2HH1 ARG 20 7.169 2.059 -9.865 184 1HH2 ARG 20 1HH2 ARG 20 4.175 0.585 -10.885 185 2HH2 ARG 20 2HH2 ARG 20 5.435 1.686 -11.318 186 H SER 21 H SER 21 2.933 2.079 -3.686 187 HA SER 21 HA SER 21 5.229 3.561 -4.542 188 1HB SER 21 1HB SER 21 3.066 4.163 -2.495 189 2HB SER 21 2HB SER 21 4.199 5.353 -3.125 190 HG SER 21 HG SER 21 2.433 5.481 -4.429 191 H ILE 22 H ILE 22 4.222 2.465 -1.284 192 HA ILE 22 HA ILE 22 6.562 3.423 0.107 193 HB ILE 22 HB ILE 22 4.658 1.156 0.789 194 1HG1 ILE 22 1HG1 ILE 22 4.398 3.773 2.155 195 2HG1 ILE 22 2HG1 ILE 22 3.957 3.788 0.448 196 1HG2 ILE 22 1HG2 ILE 22 6.863 2.507 2.264 197 2HG2 ILE 22 2HG2 ILE 22 5.399 2.150 3.178 198 3HG2 ILE 22 3HG2 ILE 22 6.280 0.849 2.378 199 1HD1 ILE 22 1HD1 ILE 22 2.565 1.693 0.953 200 2HD1 ILE 22 2HD1 ILE 22 2.789 2.093 2.655 201 3HD1 ILE 22 3HD1 ILE 22 1.957 3.222 1.585 202 H LYS 23 H LYS 23 5.687 0.233 -1.272 203 HA LYS 23 HA LYS 23 7.911 -1.302 -0.490 204 1HB LYS 23 1HB LYS 23 5.805 -1.991 -1.733 205 2HB LYS 23 2HB LYS 23 6.573 -1.393 -3.203 206 1HG LYS 23 1HG LYS 23 8.498 -3.039 -1.961 207 2HG LYS 23 2HG LYS 23 6.968 -3.909 -1.825 208 1HD LYS 23 1HD LYS 23 6.775 -3.048 -4.384 209 2HD LYS 23 2HD LYS 23 8.527 -3.195 -4.247 210 1HE LYS 23 1HE LYS 23 8.445 -5.499 -3.876 211 2HE LYS 23 2HE LYS 23 6.782 -5.446 -3.265 212 1HZ LYS 23 1HZ LYS 23 7.446 -4.682 -6.049 213 2HZ LYS 23 2HZ LYS 23 7.082 -6.286 -5.618 214 3HZ LYS 23 3HZ LYS 23 5.927 -5.059 -5.397 215 H THR 24 H THR 24 7.641 0.925 -3.292 216 HA THR 24 HA THR 24 10.247 0.386 -4.407 217 HB THR 24 HB THR 24 8.486 2.869 -4.501 218 HG1 THR 24 HG1 THR 24 7.334 1.284 -5.414 219 1HG2 THR 24 1HG2 THR 24 11.036 2.161 -5.827 220 2HG2 THR 24 2HG2 THR 24 9.789 2.834 -6.876 221 3HG2 THR 24 3HG2 THR 24 10.346 3.744 -5.471 222 H LEU 25 H LEU 25 9.025 2.800 -2.084 223 HA LEU 25 HA LEU 25 11.457 4.235 -1.631 224 1HB LEU 25 1HB LEU 25 8.813 4.364 -0.826 225 2HB LEU 25 2HB LEU 25 9.616 3.882 0.658 226 HG LEU 25 HG LEU 25 9.402 6.332 0.432 227 1HD1 LEU 25 1HD1 LEU 25 12.168 5.132 0.472 228 2HD1 LEU 25 2HD1 LEU 25 11.899 6.854 0.730 229 3HD1 LEU 25 3HD1 LEU 25 11.185 5.678 1.830 230 1HD2 LEU 25 1HD2 LEU 25 9.725 6.206 -2.137 231 2HD2 LEU 25 2HD2 LEU 25 10.447 7.570 -1.286 232 3HD2 LEU 25 3HD2 LEU 25 11.452 6.210 -1.781 233 H GLU 26 H GLU 26 9.993 1.447 0.058 234 HA GLU 26 HA GLU 26 12.056 1.062 1.996 235 1HB GLU 26 1HB GLU 26 9.714 -0.399 0.947 236 2HB GLU 26 2HB GLU 26 10.983 -1.435 1.604 237 1HG GLU 26 1HG GLU 26 9.876 0.962 3.086 238 2HG GLU 26 2HG GLU 26 9.264 -0.677 3.298 239 H HIS 27 H HIS 27 11.777 -0.100 -1.375 240 HA HIS 27 HA HIS 27 13.851 -2.055 -1.337 241 1HB HIS 27 1HB HIS 27 12.521 -0.317 -3.367 242 2HB HIS 27 2HB HIS 27 14.076 -1.003 -3.828 243 HD1 HIS 27 HD1 HIS 27 10.683 -2.114 -2.527 244 HD2 HIS 27 HD2 HIS 27 13.970 -3.684 -4.553 245 HE1 HIS 27 HE1 HIS 27 10.041 -4.467 -3.226 246 H LYS 28 H LYS 28 13.971 1.474 -1.768 247 HA LYS 28 HA LYS 28 16.829 1.666 -2.207 248 1HB LYS 28 1HB LYS 28 14.508 3.399 -1.989 249 2HB LYS 28 2HB LYS 28 15.836 4.055 -1.038 250 1HG LYS 28 1HG LYS 28 16.863 4.760 -2.896 251 2HG LYS 28 2HG LYS 28 16.903 3.119 -3.532 252 1HD LYS 28 1HD LYS 28 14.342 4.673 -3.682 253 2HD LYS 28 2HD LYS 28 15.625 5.020 -4.840 254 1HE LYS 28 1HE LYS 28 15.680 2.416 -5.178 255 2HE LYS 28 2HE LYS 28 14.051 2.475 -4.477 256 1HZ LYS 28 1HZ LYS 28 13.496 4.233 -6.094 257 2HZ LYS 28 2HZ LYS 28 15.014 4.033 -6.826 258 3HZ LYS 28 3HZ LYS 28 13.886 2.762 -6.843 259 H ARG 29 H ARG 29 14.710 1.861 0.652 260 HA ARG 29 HA ARG 29 16.748 2.543 2.578 261 1HB ARG 29 1HB ARG 29 14.308 2.911 2.825 262 2HB ARG 29 2HB ARG 29 14.066 1.169 2.903 263 1HG ARG 29 1HG ARG 29 14.678 1.074 5.069 264 2HG ARG 29 2HG ARG 29 16.106 2.071 4.792 265 1HD ARG 29 1HD ARG 29 14.309 4.023 4.606 266 2HD ARG 29 2HD ARG 29 13.337 2.908 5.586 267 HE ARG 29 HE ARG 29 16.127 3.438 6.467 268 1HH1 ARG 29 1HH1 ARG 29 13.850 2.070 8.031 269 2HH1 ARG 29 2HH1 ARG 29 13.447 3.310 9.165 270 1HH2 ARG 29 1HH2 ARG 29 15.142 5.810 7.408 271 2HH2 ARG 29 2HH2 ARG 29 14.191 5.460 8.808 272 H GLU 30 H GLU 30 15.551 -0.549 1.304 273 HA GLU 30 HA GLU 30 16.669 -2.301 3.285 274 1HB GLU 30 1HB GLU 30 14.883 -2.914 1.725 275 2HB GLU 30 2HB GLU 30 15.974 -2.700 0.362 276 1HG GLU 30 1HG GLU 30 16.011 -5.018 0.695 277 2HG GLU 30 2HG GLU 30 17.451 -4.490 1.555 278 H ASN 31 H ASN 31 17.930 -1.235 0.090 279 HA ASN 31 HA ASN 31 20.477 -2.640 0.543 280 1HB ASN 31 1HB ASN 31 19.019 -1.388 -1.660 281 2HB ASN 31 2HB ASN 31 20.730 -0.970 -1.680 282 1HD2 ASN 31 2HD2 ASN 31 18.505 -3.804 -1.625 283 2HD2 ASN 31 1HD2 ASN 31 19.643 -4.877 -2.282 284 H ALA 32 H ALA 32 19.694 0.795 -0.162 285 HA ALA 32 HA ALA 32 20.810 2.764 0.361 286 1HB ALA 32 1HB ALA 32 19.558 2.123 2.383 287 2HB ALA 32 2HB ALA 32 20.967 1.253 2.985 288 3HB ALA 32 3HB ALA 32 21.025 3.006 2.800 289 H LYS 33 H LYS 33 23.040 1.877 2.776 290 HA LYS 33 HA LYS 33 25.208 1.138 0.903 291 1HB LYS 33 1HB LYS 33 24.728 3.733 1.119 292 2HB LYS 33 2HB LYS 33 25.605 3.554 2.638 293 1HG LYS 33 1HG LYS 33 27.241 2.171 0.945 294 2HG LYS 33 2HG LYS 33 26.600 3.397 -0.145 295 1HD LYS 33 1HD LYS 33 28.428 4.518 0.738 296 2HD LYS 33 2HD LYS 33 27.157 5.037 1.843 297 1HE LYS 33 1HE LYS 33 27.837 2.975 3.277 298 2HE LYS 33 2HE LYS 33 29.324 2.982 2.311 299 1HZ LYS 33 1HZ LYS 33 29.627 5.332 2.861 300 2HZ LYS 33 2HZ LYS 33 28.232 5.293 3.835 301 3HZ LYS 33 3HZ LYS 33 29.595 4.375 4.257 302 H GLU 34 H GLU 34 26.181 -0.518 1.979 303 HA GLU 34 HA GLU 34 26.912 -0.207 4.849 304 1HB GLU 34 1HB GLU 34 24.662 -1.342 4.516 305 2HB GLU 34 2HB GLU 34 25.534 -2.652 3.723 306 1HG GLU 34 1HG GLU 34 26.843 -2.034 6.211 307 2HG GLU 34 2HG GLU 34 25.123 -2.283 6.508 Start of MODEL 7 1 1H CYS 1 1H CYS 1 -16.527 -1.284 6.790 2 2H CYS 1 2H CYS 1 -15.703 0.017 7.508 3 3H CYS 1 3H CYS 1 -16.732 0.291 6.193 4 HA CYS 1 HA CYS 1 -14.419 0.366 5.473 5 1HB CYS 1 1HB CYS 1 -14.243 -1.655 7.414 6 2HB CYS 1 2HB CYS 1 -13.898 -2.467 5.890 7 HG CYS 1 HG CYS 1 -11.814 -1.094 5.593 8 H ALA 2 H ALA 2 -13.525 -1.465 3.691 9 HA ALA 2 HA ALA 2 -15.931 -2.139 2.032 10 1HB ALA 2 1HB ALA 2 -14.471 -0.292 1.236 11 2HB ALA 2 2HB ALA 2 -13.105 -1.407 1.202 12 3HB ALA 2 3HB ALA 2 -14.474 -1.658 0.120 13 H VAL 3 H VAL 3 -15.035 -3.996 3.943 14 HA VAL 3 HA VAL 3 -13.908 -6.161 2.219 15 HB VAL 3 HB VAL 3 -12.219 -5.451 3.818 16 1HG1 VAL 3 1HG1 VAL 3 -13.720 -4.439 5.534 17 2HG1 VAL 3 2HG1 VAL 3 -14.173 -6.064 6.050 18 3HG1 VAL 3 3HG1 VAL 3 -12.507 -5.516 6.222 19 1HG2 VAL 3 1HG2 VAL 3 -12.451 -7.867 3.338 20 2HG2 VAL 3 2HG2 VAL 3 -11.795 -7.563 4.947 21 3HG2 VAL 3 3HG2 VAL 3 -13.484 -8.032 4.758 22 H GLU 4 H GLU 4 -15.911 -5.424 5.049 23 HA GLU 4 HA GLU 4 -17.242 -7.949 5.302 24 1HB GLU 4 1HB GLU 4 -18.737 -6.647 6.757 25 2HB GLU 4 2HB GLU 4 -17.064 -6.196 7.051 26 1HG GLU 4 1HG GLU 4 -18.400 -4.566 4.981 27 2HG GLU 4 2HG GLU 4 -19.125 -4.433 6.575 28 H LEU 5 H LEU 5 -19.746 -8.018 4.973 29 HA LEU 5 HA LEU 5 -21.421 -8.354 3.410 30 1HB LEU 5 1HB LEU 5 -22.605 -6.364 3.054 31 2HB LEU 5 2HB LEU 5 -21.684 -6.096 4.519 32 HG LEU 5 HG LEU 5 -20.086 -5.211 2.312 33 1HD1 LEU 5 1HD1 LEU 5 -22.972 -4.368 2.202 34 2HD1 LEU 5 2HD1 LEU 5 -21.679 -3.318 1.620 35 3HD1 LEU 5 3HD1 LEU 5 -21.923 -4.901 0.886 36 1HD2 LEU 5 1HD2 LEU 5 -20.431 -4.431 4.826 37 2HD2 LEU 5 2HD2 LEU 5 -19.896 -3.290 3.594 38 3HD2 LEU 5 3HD2 LEU 5 -21.588 -3.324 4.088 39 H ARG 6 H ARG 6 -18.742 -8.699 2.171 40 HA ARG 6 HA ARG 6 -17.697 -8.897 0.121 41 1HB ARG 6 1HB ARG 6 -19.605 -10.491 0.157 42 2HB ARG 6 2HB ARG 6 -20.597 -9.279 -0.644 43 1HG ARG 6 1HG ARG 6 -18.897 -9.268 -2.526 44 2HG ARG 6 2HG ARG 6 -18.122 -10.643 -1.745 45 1HD ARG 6 1HD ARG 6 -20.967 -11.136 -1.966 46 2HD ARG 6 2HD ARG 6 -20.294 -10.728 -3.556 47 HE ARG 6 HE ARG 6 -19.211 -12.904 -1.807 48 1HH1 ARG 6 1HH2 ARG 6 -20.893 -13.446 -4.286 49 2HH1 ARG 6 2HH2 ARG 6 -19.673 -13.810 -5.457 50 1HH2 ARG 6 1HH1 ARG 6 -17.084 -12.461 -3.539 51 2HH2 ARG 6 2HH1 ARG 6 -17.485 -13.244 -5.026 52 H SER 7 H SER 7 -17.545 -6.334 0.564 53 HA SER 7 HA SER 7 -18.424 -4.994 -1.966 54 1HB SER 7 1HB SER 7 -19.258 -4.514 0.722 55 2HB SER 7 2HB SER 7 -18.260 -3.153 0.238 56 HG SER 7 HG SER 7 -20.179 -2.624 -0.595 57 HA PRO 8 HA PRO 8 -13.826 -4.694 -1.205 58 1HB PRO 8 1HB PRO 8 -13.085 -5.444 -3.735 59 2HB PRO 8 2HB PRO 8 -13.343 -6.591 -2.403 60 1HG PRO 8 1HG PRO 8 -15.135 -5.866 -4.658 61 2HG PRO 8 2HG PRO 8 -14.830 -7.446 -3.913 62 1HD PRO 8 1HD PRO 8 -17.036 -5.987 -3.385 63 2HD PRO 8 2HD PRO 8 -16.297 -7.090 -2.202 64 H GLY 9 H GLY 9 -15.516 -3.751 -4.231 65 1HA GLY 9 1HA GLY 9 -15.463 -1.817 -5.506 66 2HA GLY 9 2HA GLY 9 -15.306 -0.982 -3.968 67 H ILE 10 H ILE 10 -13.734 0.490 -4.241 68 HA ILE 10 HA ILE 10 -11.308 -0.091 -5.826 69 HB ILE 10 HB ILE 10 -12.913 1.889 -6.004 70 1HG1 ILE 10 1HG1 ILE 10 -10.614 1.671 -7.035 71 2HG1 ILE 10 2HG1 ILE 10 -11.226 3.302 -6.805 72 1HG2 ILE 10 1HG2 ILE 10 -13.001 2.414 -3.577 73 2HG2 ILE 10 2HG2 ILE 10 -11.327 2.957 -3.670 74 3HG2 ILE 10 3HG2 ILE 10 -12.576 3.795 -4.588 75 1HD1 ILE 10 1HD1 ILE 10 -9.889 3.234 -4.560 76 2HD1 ILE 10 2HD1 ILE 10 -9.041 1.878 -5.297 77 3HD1 ILE 10 3HD1 ILE 10 -9.000 3.463 -6.063 78 H SER 11 H SER 11 -12.255 0.480 -2.457 79 HA SER 11 HA SER 11 -9.859 1.170 -1.201 80 1HB SER 11 1HB SER 11 -12.215 -0.533 -0.461 81 2HB SER 11 2HB SER 11 -10.891 -0.329 0.678 82 HG SER 11 HG SER 11 -12.091 1.406 1.119 83 H ARG 12 H ARG 12 -10.937 -2.130 -2.026 84 HA ARG 12 HA ARG 12 -8.760 -3.591 -0.920 85 1HB ARG 12 1HB ARG 12 -9.526 -5.364 -2.479 86 2HB ARG 12 2HB ARG 12 -10.862 -4.597 -1.635 87 1HG ARG 12 1HG ARG 12 -11.788 -4.348 -3.683 88 2HG ARG 12 2HG ARG 12 -10.645 -3.036 -3.906 89 1HD ARG 12 1HD ARG 12 -8.994 -4.889 -4.702 90 2HD ARG 12 2HD ARG 12 -10.458 -5.874 -4.908 91 HE ARG 12 HE ARG 12 -10.123 -3.196 -6.206 92 1HH1 ARG 12 1HH2 ARG 12 -9.634 -5.986 -7.530 93 2HH1 ARG 12 2HH2 ARG 12 -11.089 -6.138 -8.450 94 1HH2 ARG 12 1HH1 ARG 12 -12.710 -3.544 -6.746 95 2HH2 ARG 12 2HH1 ARG 12 -12.867 -4.728 -7.999 96 H PHE 13 H PHE 13 -9.056 -1.874 -3.985 97 HA PHE 13 HA PHE 13 -6.471 -2.859 -5.014 98 1HB PHE 13 1HB PHE 13 -8.015 -2.711 -6.722 99 2HB PHE 13 2HB PHE 13 -8.910 -1.424 -5.946 100 HD1 PHE 13 HD1 PHE 13 -5.639 -2.067 -7.699 101 HD2 PHE 13 HD2 PHE 13 -8.777 0.715 -6.784 102 HE1 PHE 13 HE1 PHE 13 -4.621 -0.412 -9.240 103 HE2 PHE 13 HE2 PHE 13 -7.762 2.374 -8.323 104 HZ PHE 13 HZ PHE 13 -5.685 1.809 -9.551 105 H ARG 14 H ARG 14 -7.939 0.030 -3.592 106 HA ARG 14 HA ARG 14 -5.943 1.995 -3.972 107 1HB ARG 14 1HB ARG 14 -8.306 2.153 -3.037 108 2HB ARG 14 2HB ARG 14 -7.656 1.553 -1.514 109 1HG ARG 14 1HG ARG 14 -5.968 3.506 -1.693 110 2HG ARG 14 2HG ARG 14 -7.064 4.158 -2.911 111 1HD ARG 14 1HD ARG 14 -8.475 4.905 -1.318 112 2HD ARG 14 2HD ARG 14 -8.579 3.292 -0.588 113 HE ARG 14 HE ARG 14 -6.402 5.253 0.027 114 1HH1 ARG 14 1HH2 ARG 14 -8.841 4.498 1.821 115 2HH1 ARG 14 2HH2 ARG 14 -8.060 3.483 2.982 116 1HH2 ARG 14 1HH1 ARG 14 -5.164 3.112 1.060 117 2HH2 ARG 14 2HH1 ARG 14 -5.941 2.688 2.544 118 H ARG 15 H ARG 15 -6.309 -0.389 -1.303 119 HA ARG 15 HA ARG 15 -3.972 0.403 0.165 120 1HB ARG 15 1HB ARG 15 -6.005 -1.131 0.793 121 2HB ARG 15 2HB ARG 15 -5.025 -2.418 0.093 122 1HG ARG 15 1HG ARG 15 -4.461 -2.440 2.390 123 2HG ARG 15 2HG ARG 15 -3.129 -1.594 1.612 124 1HD ARG 15 1HD ARG 15 -4.492 0.573 2.160 125 2HD ARG 15 2HD ARG 15 -5.333 -0.459 3.331 126 HE ARG 15 HE ARG 15 -2.353 -0.122 3.321 127 1HH1 ARG 15 1HH2 ARG 15 -3.831 1.587 5.239 128 2HH1 ARG 15 2HH2 ARG 15 -3.857 0.624 6.676 129 1HH2 ARG 15 1HH1 ARG 15 -3.056 -2.337 5.010 130 2HH2 ARG 15 2HH1 ARG 15 -3.418 -1.625 6.542 131 H LYS 16 H LYS 16 -4.408 -1.899 -2.537 132 HA LYS 16 HA LYS 16 -1.773 -3.054 -2.423 133 1HB LYS 16 1HB LYS 16 -4.057 -3.467 -3.902 134 2HB LYS 16 2HB LYS 16 -3.015 -2.697 -5.094 135 1HG LYS 16 1HG LYS 16 -2.303 -5.142 -3.447 136 2HG LYS 16 2HG LYS 16 -2.778 -5.152 -5.142 137 1HD LYS 16 1HD LYS 16 -0.697 -3.301 -5.061 138 2HD LYS 16 2HD LYS 16 -0.182 -4.548 -3.935 139 1HE LYS 16 1HE LYS 16 0.584 -5.609 -5.803 140 2HE LYS 16 2HE LYS 16 -1.111 -6.060 -6.052 141 1HZ LYS 16 1HZ LYS 16 -0.038 -3.457 -6.988 142 2HZ LYS 16 2HZ LYS 16 0.025 -4.853 -7.955 143 3HZ LYS 16 3HZ LYS 16 -1.471 -4.239 -7.458 144 H ILE 17 H ILE 17 -3.073 -0.161 -4.041 145 HA ILE 17 HA ILE 17 -0.737 0.591 -5.520 146 HB ILE 17 HB ILE 17 -2.939 2.261 -4.237 147 1HG1 ILE 17 1HG1 ILE 17 -2.833 1.640 -7.164 148 2HG1 ILE 17 2HG1 ILE 17 -3.380 0.365 -6.076 149 1HG2 ILE 17 1HG2 ILE 17 -0.996 3.643 -4.883 150 2HG2 ILE 17 2HG2 ILE 17 -1.065 2.976 -6.513 151 3HG2 ILE 17 3HG2 ILE 17 -2.390 3.971 -5.910 152 1HD1 ILE 17 1HD1 ILE 17 -4.675 2.739 -5.232 153 2HD1 ILE 17 2HD1 ILE 17 -4.819 2.685 -6.988 154 3HD1 ILE 17 3HD1 ILE 17 -5.400 1.336 -6.015 155 H ALA 18 H ALA 18 -1.834 1.327 -2.196 156 HA ALA 18 HA ALA 18 0.378 3.012 -1.451 157 1HB ALA 18 1HB ALA 18 -1.795 1.472 -0.066 158 2HB ALA 18 2HB ALA 18 -0.443 2.045 0.912 159 3HB ALA 18 3HB ALA 18 -1.423 3.195 0.004 160 H LYS 19 H LYS 19 -0.150 -0.514 -1.247 161 HA LYS 19 HA LYS 19 2.174 -1.247 0.236 162 1HB LYS 19 1HB LYS 19 0.149 -2.483 -1.485 163 2HB LYS 19 2HB LYS 19 1.721 -3.257 -1.656 164 1HG LYS 19 1HG LYS 19 0.700 -2.651 1.097 165 2HG LYS 19 2HG LYS 19 0.046 -4.035 0.229 166 1HD LYS 19 1HD LYS 19 1.851 -5.216 0.859 167 2HD LYS 19 2HD LYS 19 2.836 -4.173 -0.160 168 1HE LYS 19 1HE LYS 19 3.862 -3.901 1.930 169 2HE LYS 19 2HE LYS 19 2.739 -2.531 1.910 170 1HZ LYS 19 1HZ LYS 19 1.103 -4.347 2.866 171 2HZ LYS 19 2HZ LYS 19 2.556 -5.056 3.383 172 3HZ LYS 19 3HZ LYS 19 2.152 -3.485 3.879 173 H ARG 20 H ARG 20 1.695 -0.516 -3.194 174 HA ARG 20 HA ARG 20 4.316 -1.339 -4.123 175 1HB ARG 20 1HB ARG 20 2.199 -1.190 -5.458 176 2HB ARG 20 2HB ARG 20 2.292 0.565 -5.331 177 1HG ARG 20 1HG ARG 20 4.529 0.490 -6.435 178 2HG ARG 20 2HG ARG 20 4.335 -1.249 -6.651 179 1HD ARG 20 1HD ARG 20 2.905 -0.991 -8.399 180 2HD ARG 20 2HD ARG 20 2.025 0.327 -7.603 181 HE ARG 20 HE ARG 20 4.478 0.640 -9.244 182 1HH1 ARG 20 1HH2 ARG 20 1.779 2.080 -9.600 183 2HH1 ARG 20 2HH2 ARG 20 2.176 3.664 -9.033 184 1HH2 ARG 20 1HH1 ARG 20 5.129 2.637 -7.473 185 2HH2 ARG 20 2HH1 ARG 20 4.098 3.983 -7.814 186 H SER 21 H SER 21 2.890 1.851 -3.197 187 HA SER 21 HA SER 21 5.180 3.421 -3.933 188 1HB SER 21 1HB SER 21 2.629 3.884 -2.902 189 2HB SER 21 2HB SER 21 3.705 4.423 -1.616 190 HG SER 21 HG SER 21 4.404 5.997 -2.890 191 H ILE 22 H ILE 22 4.310 1.829 -0.860 192 HA ILE 22 HA ILE 22 6.490 2.817 0.728 193 HB ILE 22 HB ILE 22 4.882 0.238 0.828 194 1HG1 ILE 22 1HG1 ILE 22 4.580 2.583 2.695 195 2HG1 ILE 22 2HG1 ILE 22 3.782 2.604 1.121 196 1HG2 ILE 22 1HG2 ILE 22 6.986 1.351 2.646 197 2HG2 ILE 22 2HG2 ILE 22 5.610 0.519 3.371 198 3HG2 ILE 22 3HG2 ILE 22 6.643 -0.324 2.219 199 1HD1 ILE 22 1HD1 ILE 22 2.872 0.281 1.734 200 2HD1 ILE 22 2HD1 ILE 22 3.390 0.639 3.382 201 3HD1 ILE 22 3HD1 ILE 22 2.184 1.657 2.595 202 H LYS 23 H LYS 23 6.136 -0.137 -1.255 203 HA LYS 23 HA LYS 23 8.701 -1.283 -0.755 204 1HB LYS 23 1HB LYS 23 6.616 -1.472 -2.911 205 2HB LYS 23 2HB LYS 23 8.166 -2.279 -3.139 206 1HG LYS 23 1HG LYS 23 6.954 -2.711 -0.480 207 2HG LYS 23 2HG LYS 23 6.024 -3.379 -1.818 208 1HD LYS 23 1HD LYS 23 7.938 -4.639 -2.608 209 2HD LYS 23 2HD LYS 23 8.988 -3.870 -1.418 210 1HE LYS 23 1HE LYS 23 7.776 -4.929 0.416 211 2HE LYS 23 2HE LYS 23 6.602 -5.620 -0.717 212 1HZ LYS 23 1HZ LYS 23 9.532 -6.141 -0.804 213 2HZ LYS 23 2HZ LYS 23 8.384 -7.197 -0.147 214 3HZ LYS 23 3HZ LYS 23 8.350 -6.840 -1.805 215 H THR 24 H THR 24 7.655 1.095 -3.208 216 HA THR 24 HA THR 24 10.141 1.196 -4.670 217 HB THR 24 HB THR 24 8.005 3.334 -4.334 218 HG1 THR 24 HG1 THR 24 6.886 1.692 -5.156 219 1HG2 THR 24 1HG2 THR 24 10.233 2.887 -6.299 220 2HG2 THR 24 2HG2 THR 24 8.766 3.733 -6.795 221 3HG2 THR 24 3HG2 THR 24 9.751 4.371 -5.477 222 H LEU 25 H LEU 25 8.795 3.186 -2.018 223 HA LEU 25 HA LEU 25 10.857 5.101 -1.737 224 1HB LEU 25 1HB LEU 25 8.499 4.783 -0.634 225 2HB LEU 25 2HB LEU 25 9.398 3.908 0.604 226 HG LEU 25 HG LEU 25 10.973 6.054 0.450 227 1HD1 LEU 25 1HD1 LEU 25 9.292 6.928 -1.370 228 2HD1 LEU 25 2HD1 LEU 25 8.300 7.361 0.023 229 3HD1 LEU 25 3HD1 LEU 25 9.915 8.044 -0.157 230 1HD2 LEU 25 1HD2 LEU 25 8.707 5.249 2.104 231 2HD2 LEU 25 2HD2 LEU 25 10.249 5.953 2.586 232 3HD2 LEU 25 3HD2 LEU 25 8.918 7.000 2.099 233 H GLU 26 H GLU 26 10.696 1.751 -0.558 234 HA GLU 26 HA GLU 26 12.968 1.925 1.225 235 1HB GLU 26 1HB GLU 26 11.109 -0.105 0.189 236 2HB GLU 26 2HB GLU 26 12.725 -0.723 0.521 237 1HG GLU 26 1HG GLU 26 11.076 0.889 2.485 238 2HG GLU 26 2HG GLU 26 11.199 -0.869 2.492 239 H HIS 27 H HIS 27 12.688 1.226 -2.270 240 HA HIS 27 HA HIS 27 15.661 0.847 -2.283 241 1HB HIS 27 1HB HIS 27 13.420 -0.643 -3.486 242 2HB HIS 27 2HB HIS 27 14.781 -0.367 -4.574 243 HD1 HIS 27 HD1 HIS 27 16.749 -1.907 -4.286 244 HD2 HIS 27 HD2 HIS 27 14.344 -1.806 -0.879 245 HE1 HIS 27 HE1 HIS 27 17.702 -3.615 -2.682 246 H LYS 28 H LYS 28 14.413 3.438 -2.463 247 HA LYS 28 HA LYS 28 14.940 4.203 -5.315 248 1HB LYS 28 1HB LYS 28 13.062 5.086 -3.175 249 2HB LYS 28 2HB LYS 28 13.755 6.377 -4.155 250 1HG LYS 28 1HG LYS 28 12.489 3.919 -5.378 251 2HG LYS 28 2HG LYS 28 11.566 5.372 -5.003 252 1HD LYS 28 1HD LYS 28 13.457 6.592 -6.361 253 2HD LYS 28 2HD LYS 28 13.743 4.988 -7.035 254 1HE LYS 28 1HE LYS 28 11.323 4.861 -7.672 255 2HE LYS 28 2HE LYS 28 11.130 6.537 -7.122 256 1HZ LYS 28 1HZ LYS 28 12.912 7.201 -8.637 257 2HZ LYS 28 2HZ LYS 28 13.048 5.601 -9.196 258 3HZ LYS 28 3HZ LYS 28 11.628 6.488 -9.478 259 H ARG 29 H ARG 29 15.243 5.570 -2.019 260 HA ARG 29 HA ARG 29 17.472 7.280 -2.721 261 1HB ARG 29 1HB ARG 29 17.407 7.896 -0.397 262 2HB ARG 29 2HB ARG 29 15.746 7.685 -0.936 263 1HG ARG 29 1HG ARG 29 16.022 5.243 -0.045 264 2HG ARG 29 2HG ARG 29 17.400 5.899 0.837 265 1HD ARG 29 1HD ARG 29 15.181 7.691 1.181 266 2HD ARG 29 2HD ARG 29 14.643 6.046 1.553 267 HE ARG 29 HE ARG 29 16.468 7.579 3.153 268 1HH1 ARG 29 1HH2 ARG 29 14.837 4.863 3.558 269 2HH1 ARG 29 2HH2 ARG 29 16.124 3.858 4.119 270 1HH2 ARG 29 1HH1 ARG 29 18.627 6.096 3.169 271 2HH2 ARG 29 2HH1 ARG 29 18.288 4.565 3.898 272 H GLU 30 H GLU 30 17.240 3.974 -1.457 273 HA GLU 30 HA GLU 30 19.859 3.679 -0.373 274 1HB GLU 30 1HB GLU 30 17.745 2.122 -0.359 275 2HB GLU 30 2HB GLU 30 18.440 1.463 -1.840 276 1HG GLU 30 1HG GLU 30 20.583 1.075 -0.598 277 2HG GLU 30 2HG GLU 30 19.778 1.596 0.878 278 H ASN 31 H ASN 31 18.717 3.465 -3.741 279 HA ASN 31 HA ASN 31 21.525 2.954 -4.650 280 1HB ASN 31 1HB ASN 31 18.885 1.977 -5.429 281 2HB ASN 31 2HB ASN 31 19.761 2.645 -6.804 282 1HD2 ASN 31 2HD2 ASN 31 19.797 0.063 -4.380 283 2HD2 ASN 31 1HD2 ASN 31 21.078 -0.800 -5.081 284 H ALA 32 H ALA 32 18.580 4.733 -5.645 285 HA ALA 32 HA ALA 32 18.220 6.830 -6.511 286 1HB ALA 32 1HB ALA 32 19.828 7.382 -4.616 287 2HB ALA 32 2HB ALA 32 21.100 7.452 -5.834 288 3HB ALA 32 3HB ALA 32 19.735 8.566 -5.919 289 H LYS 33 H LYS 33 21.617 6.086 -7.487 290 HA LYS 33 HA LYS 33 20.718 6.271 -10.341 291 1HB LYS 33 1HB LYS 33 23.121 7.488 -8.952 292 2HB LYS 33 2HB LYS 33 23.002 7.345 -10.703 293 1HG LYS 33 1HG LYS 33 20.660 8.519 -10.333 294 2HG LYS 33 2HG LYS 33 21.412 9.070 -8.836 295 1HD LYS 33 1HD LYS 33 23.413 9.728 -10.405 296 2HD LYS 33 2HD LYS 33 22.195 9.664 -11.675 297 1HE LYS 33 1HE LYS 33 21.742 11.818 -11.093 298 2HE LYS 33 2HE LYS 33 20.904 11.122 -9.696 299 1HZ LYS 33 1HZ LYS 33 23.809 11.770 -9.761 300 2HZ LYS 33 2HZ LYS 33 22.621 12.747 -9.055 301 3HZ LYS 33 3HZ LYS 33 22.926 11.201 -8.425 302 H GLU 34 H GLU 34 21.422 4.564 -11.572 303 HA GLU 34 HA GLU 34 22.967 2.403 -10.313 304 1HB GLU 34 1HB GLU 34 21.465 2.804 -12.897 305 2HB GLU 34 2HB GLU 34 22.473 1.381 -12.648 306 1HG GLU 34 1HG GLU 34 21.200 0.736 -10.693 307 2HG GLU 34 2HG GLU 34 20.276 2.234 -10.741 Start of MODEL 8 1 1H CYS 1 1H CYS 1 -25.770 4.736 -3.310 2 2H CYS 1 2H CYS 1 -26.558 3.236 -3.391 3 3H CYS 1 3H CYS 1 -27.363 4.643 -3.886 4 HA CYS 1 HA CYS 1 -27.404 5.504 -1.646 5 1HB CYS 1 1HB CYS 1 -28.397 2.729 -2.248 6 2HB CYS 1 2HB CYS 1 -28.669 3.416 -0.652 7 HG CYS 1 HG CYS 1 -30.689 4.140 -2.147 8 H ALA 2 H ALA 2 -26.477 2.062 -1.250 9 HA ALA 2 HA ALA 2 -24.165 2.791 0.464 10 1HB ALA 2 1HB ALA 2 -26.610 1.239 1.379 11 2HB ALA 2 2HB ALA 2 -25.123 1.416 2.309 12 3HB ALA 2 3HB ALA 2 -26.112 2.831 1.951 13 H VAL 3 H VAL 3 -22.582 1.282 0.174 14 HA VAL 3 HA VAL 3 -23.081 -1.110 -1.528 15 HB VAL 3 HB VAL 3 -20.638 -1.173 -1.621 16 1HG1 VAL 3 1HG1 VAL 3 -22.069 0.524 -2.970 17 2HG1 VAL 3 2HG1 VAL 3 -21.356 1.737 -1.907 18 3HG1 VAL 3 3HG1 VAL 3 -20.322 0.745 -2.934 19 1HG2 VAL 3 1HG2 VAL 3 -20.888 0.264 0.840 20 2HG2 VAL 3 2HG2 VAL 3 -19.426 -0.379 0.102 21 3HG2 VAL 3 3HG2 VAL 3 -19.957 1.264 -0.273 22 H GLU 4 H GLU 4 -24.012 -1.025 1.284 23 HA GLU 4 HA GLU 4 -24.202 -2.385 3.108 24 1HB GLU 4 1HB GLU 4 -22.392 -4.297 1.619 25 2HB GLU 4 2HB GLU 4 -23.485 -4.690 2.934 26 1HG GLU 4 1HG GLU 4 -24.933 -5.254 1.289 27 2HG GLU 4 2HG GLU 4 -25.201 -3.519 1.136 28 H LEU 5 H LEU 5 -21.518 -0.711 2.519 29 HA LEU 5 HA LEU 5 -19.506 -0.274 3.598 30 1HB LEU 5 1HB LEU 5 -21.209 -1.185 5.947 31 2HB LEU 5 2HB LEU 5 -19.838 -0.083 6.023 32 HG LEU 5 HG LEU 5 -22.334 0.465 4.391 33 1HD1 LEU 5 1HD1 LEU 5 -22.901 0.363 6.776 34 2HD1 LEU 5 2HD1 LEU 5 -21.609 1.510 7.135 35 3HD1 LEU 5 3HD1 LEU 5 -22.993 2.014 6.165 36 1HD2 LEU 5 1HD2 LEU 5 -19.821 1.977 5.035 37 2HD2 LEU 5 2HD2 LEU 5 -20.694 1.859 3.508 38 3HD2 LEU 5 3HD2 LEU 5 -21.320 2.875 4.805 39 H ARG 6 H ARG 6 -19.533 -2.726 2.376 40 HA ARG 6 HA ARG 6 -17.509 -4.250 3.866 41 1HB ARG 6 1HB ARG 6 -19.953 -4.875 4.566 42 2HB ARG 6 2HB ARG 6 -19.974 -5.740 3.030 43 1HG ARG 6 1HG ARG 6 -18.004 -7.025 3.681 44 2HG ARG 6 2HG ARG 6 -17.870 -6.108 5.180 45 1HD ARG 6 1HD ARG 6 -18.972 -8.164 5.759 46 2HD ARG 6 2HD ARG 6 -20.242 -6.926 5.731 47 HE ARG 6 HE ARG 6 -19.760 -8.411 3.206 48 1HH1 ARG 6 1HH1 ARG 6 -22.241 -6.830 3.556 49 2HH1 ARG 6 2HH1 ARG 6 -23.401 -8.026 4.015 50 1HH2 ARG 6 1HH2 ARG 6 -20.989 -10.400 4.865 51 2HH2 ARG 6 2HH2 ARG 6 -22.683 -10.075 4.765 52 H SER 7 H SER 7 -19.611 -4.075 0.953 53 HA SER 7 HA SER 7 -18.449 -5.981 -0.717 54 1HB SER 7 1HB SER 7 -19.885 -3.400 -1.058 55 2HB SER 7 2HB SER 7 -19.036 -4.017 -2.465 56 HG SER 7 HG SER 7 -21.313 -4.916 -1.254 57 HA PRO 8 HA PRO 8 -14.356 -4.263 -1.239 58 1HB PRO 8 1HB PRO 8 -13.405 -6.127 -2.993 59 2HB PRO 8 2HB PRO 8 -13.564 -6.426 -1.248 60 1HG PRO 8 1HG PRO 8 -15.259 -7.350 -3.479 61 2HG PRO 8 2HG PRO 8 -14.884 -8.132 -1.938 62 1HD PRO 8 1HD PRO 8 -17.243 -6.824 -2.533 63 2HD PRO 8 2HD PRO 8 -16.654 -7.195 -0.899 64 H GLY 9 H GLY 9 -13.085 -3.310 -3.027 65 1HA GLY 9 1HA GLY 9 -13.765 -3.208 -5.742 66 2HA GLY 9 2HA GLY 9 -14.705 -1.932 -4.969 67 H ILE 10 H ILE 10 -13.721 0.007 -4.988 68 HA ILE 10 HA ILE 10 -11.034 0.484 -5.830 69 HB ILE 10 HB ILE 10 -12.866 2.256 -4.197 70 1HG1 ILE 10 1HG1 ILE 10 -12.619 2.791 -7.073 71 2HG1 ILE 10 2HG1 ILE 10 -13.384 1.236 -6.723 72 1HG2 ILE 10 1HG2 ILE 10 -10.332 2.848 -4.537 73 2HG2 ILE 10 2HG2 ILE 10 -10.842 3.250 -6.176 74 3HG2 ILE 10 3HG2 ILE 10 -11.562 4.082 -4.800 75 1HD1 ILE 10 1HD1 ILE 10 -14.931 2.341 -5.150 76 2HD1 ILE 10 2HD1 ILE 10 -14.193 3.898 -5.523 77 3HD1 ILE 10 3HD1 ILE 10 -15.081 3.021 -6.772 78 H SER 11 H SER 11 -12.452 0.492 -2.533 79 HA SER 11 HA SER 11 -10.128 1.288 -1.139 80 1HB SER 11 1HB SER 11 -12.644 0.856 -0.399 81 2HB SER 11 2HB SER 11 -11.998 -0.709 0.075 82 HG SER 11 HG SER 11 -11.558 0.495 1.822 83 H ARG 12 H ARG 12 -11.122 -1.979 -2.151 84 HA ARG 12 HA ARG 12 -9.071 -3.449 -0.783 85 1HB ARG 12 1HB ARG 12 -11.224 -4.260 -1.943 86 2HB ARG 12 2HB ARG 12 -10.315 -4.169 -3.450 87 1HG ARG 12 1HG ARG 12 -9.138 -6.047 -2.986 88 2HG ARG 12 2HG ARG 12 -8.860 -5.566 -1.313 89 1HD ARG 12 1HD ARG 12 -11.495 -6.121 -1.142 90 2HD ARG 12 2HD ARG 12 -11.056 -7.228 -2.458 91 HE ARG 12 HE ARG 12 -9.388 -8.252 -0.979 92 1HH1 ARG 12 1HH1 ARG 12 -8.752 -6.141 0.928 93 2HH1 ARG 12 2HH1 ARG 12 -9.660 -6.564 2.335 94 1HH2 ARG 12 1HH2 ARG 12 -11.786 -8.737 0.616 95 2HH2 ARG 12 2HH2 ARG 12 -11.402 -8.054 2.157 96 H PHE 13 H PHE 13 -9.219 -2.094 -4.099 97 HA PHE 13 HA PHE 13 -6.501 -2.914 -4.726 98 1HB PHE 13 1HB PHE 13 -7.323 -2.641 -6.792 99 2HB PHE 13 2HB PHE 13 -8.831 -2.118 -6.085 100 HD1 PHE 13 HD1 PHE 13 -9.301 0.291 -5.833 101 HD2 PHE 13 HD2 PHE 13 -5.798 -1.103 -7.869 102 HE1 PHE 13 HE1 PHE 13 -9.027 2.527 -6.860 103 HE2 PHE 13 HE2 PHE 13 -5.516 1.135 -8.903 104 HZ PHE 13 HZ PHE 13 -7.137 2.951 -8.395 105 H ARG 14 H ARG 14 -7.923 -0.030 -3.279 106 HA ARG 14 HA ARG 14 -5.863 1.880 -3.734 107 1HB ARG 14 1HB ARG 14 -7.956 1.361 -1.661 108 2HB ARG 14 2HB ARG 14 -6.688 2.517 -1.262 109 1HG ARG 14 1HG ARG 14 -7.226 3.864 -3.206 110 2HG ARG 14 2HG ARG 14 -8.384 2.659 -3.770 111 1HD ARG 14 1HD ARG 14 -9.771 4.230 -2.679 112 2HD ARG 14 2HD ARG 14 -9.512 3.011 -1.419 113 HE ARG 14 HE ARG 14 -7.413 4.641 -0.929 114 1HH1 ARG 14 1HH1 ARG 14 -8.895 6.764 -2.520 115 2HH1 ARG 14 2HH1 ARG 14 -9.724 7.620 -1.269 116 1HH2 ARG 14 1HH2 ARG 14 -9.258 5.076 1.090 117 2HH2 ARG 14 2HH2 ARG 14 -9.934 6.645 0.819 118 H ARG 15 H ARG 15 -6.162 -0.705 -1.297 119 HA ARG 15 HA ARG 15 -3.834 -0.066 0.264 120 1HB ARG 15 1HB ARG 15 -5.246 -2.707 -0.249 121 2HB ARG 15 2HB ARG 15 -4.091 -2.418 1.048 122 1HG ARG 15 1HG ARG 15 -6.590 -0.742 0.738 123 2HG ARG 15 2HG ARG 15 -6.587 -2.247 1.650 124 1HD ARG 15 1HD ARG 15 -4.997 -1.402 3.233 125 2HD ARG 15 2HD ARG 15 -4.645 0.015 2.226 126 HE ARG 15 HE ARG 15 -7.004 0.754 2.603 127 1HH1 ARG 15 1HH1 ARG 15 -8.259 -1.667 3.652 128 2HH1 ARG 15 2HH1 ARG 15 -8.248 -1.429 5.365 129 1HH2 ARG 15 1HH2 ARG 15 -5.827 1.088 5.243 130 2HH2 ARG 15 2HH2 ARG 15 -6.847 0.154 6.280 131 H LYS 16 H LYS 16 -4.313 -2.062 -2.654 132 HA LYS 16 HA LYS 16 -1.650 -3.162 -2.749 133 1HB LYS 16 1HB LYS 16 -3.887 -3.784 -3.998 134 2HB LYS 16 2HB LYS 16 -3.349 -2.587 -5.174 135 1HG LYS 16 1HG LYS 16 -2.083 -4.186 -6.112 136 2HG LYS 16 2HG LYS 16 -1.075 -4.152 -4.667 137 1HD LYS 16 1HD LYS 16 -1.985 -6.069 -3.814 138 2HD LYS 16 2HD LYS 16 -3.588 -5.731 -4.459 139 1HE LYS 16 1HE LYS 16 -1.321 -6.436 -6.327 140 2HE LYS 16 2HE LYS 16 -2.242 -7.708 -5.505 141 1HZ LYS 16 1HZ LYS 16 -4.299 -6.588 -6.309 142 2HZ LYS 16 2HZ LYS 16 -3.327 -5.567 -7.257 143 3HZ LYS 16 3HZ LYS 16 -3.335 -7.232 -7.549 144 H ILE 17 H ILE 17 -3.088 -0.134 -3.952 145 HA ILE 17 HA ILE 17 -0.829 0.716 -5.539 146 HB ILE 17 HB ILE 17 -2.934 2.346 -4.062 147 1HG1 ILE 17 1HG1 ILE 17 -3.004 1.674 -7.004 148 2HG1 ILE 17 2HG1 ILE 17 -3.703 0.566 -5.820 149 1HG2 ILE 17 1HG2 ILE 17 -1.037 3.038 -6.315 150 2HG2 ILE 17 2HG2 ILE 17 -2.464 4.000 -5.931 151 3HG2 ILE 17 3HG2 ILE 17 -1.179 3.817 -4.739 152 1HD1 ILE 17 1HD1 ILE 17 -4.562 3.231 -5.191 153 2HD1 ILE 17 2HD1 ILE 17 -4.876 2.920 -6.898 154 3HD1 ILE 17 3HD1 ILE 17 -5.539 1.843 -5.671 155 H ALA 18 H ALA 18 -1.827 1.235 -2.147 156 HA ALA 18 HA ALA 18 0.323 2.933 -1.335 157 1HB ALA 18 1HB ALA 18 -1.723 1.186 -0.039 158 2HB ALA 18 2HB ALA 18 -0.353 1.687 0.953 159 3HB ALA 18 3HB ALA 18 -1.389 2.900 0.206 160 H LYS 19 H LYS 19 0.033 -0.655 -1.290 161 HA LYS 19 HA LYS 19 2.519 -1.184 0.029 162 1HB LYS 19 1HB LYS 19 0.471 -2.693 -0.790 163 2HB LYS 19 2HB LYS 19 1.531 -2.957 -2.176 164 1HG LYS 19 1HG LYS 19 3.172 -4.008 -0.903 165 2HG LYS 19 2HG LYS 19 2.660 -3.229 0.593 166 1HD LYS 19 1HD LYS 19 1.590 -5.157 1.067 167 2HD LYS 19 2HD LYS 19 0.411 -4.669 -0.149 168 1HE LYS 19 1HE LYS 19 2.004 -5.775 -1.869 169 2HE LYS 19 2HE LYS 19 2.751 -6.555 -0.466 170 1HZ LYS 19 1HZ LYS 19 0.161 -6.952 0.077 171 2HZ LYS 19 2HZ LYS 19 0.115 -6.967 -1.620 172 3HZ LYS 19 3HZ LYS 19 1.120 -8.051 -0.785 173 H ARG 20 H ARG 20 1.725 -0.520 -3.348 174 HA ARG 20 HA ARG 20 4.289 -1.083 -4.542 175 1HB ARG 20 1HB ARG 20 1.807 -0.669 -5.447 176 2HB ARG 20 2HB ARG 20 2.405 0.977 -5.618 177 1HG ARG 20 1HG ARG 20 3.780 0.436 -7.351 178 2HG ARG 20 2HG ARG 20 4.237 -1.110 -6.637 179 1HD ARG 20 1HD ARG 20 2.979 -1.649 -8.601 180 2HD ARG 20 2HD ARG 20 1.872 -1.921 -7.245 181 HE ARG 20 HE ARG 20 0.849 0.291 -7.731 182 1HH1 ARG 20 1HH2 ARG 20 0.261 -1.208 -10.166 183 2HH1 ARG 20 2HH2 ARG 20 0.873 -0.202 -11.433 184 1HH2 ARG 20 1HH1 ARG 20 2.869 1.690 -9.267 185 2HH2 ARG 20 2HH1 ARG 20 2.381 1.475 -10.912 186 H SER 21 H SER 21 2.785 1.887 -3.230 187 HA SER 21 HA SER 21 4.962 3.652 -3.972 188 1HB SER 21 1HB SER 21 2.509 3.796 -2.242 189 2HB SER 21 2HB SER 21 3.675 5.117 -2.248 190 HG SER 21 HG SER 21 2.907 5.668 -4.136 191 H ILE 22 H ILE 22 4.581 1.449 -1.274 192 HA ILE 22 HA ILE 22 6.505 2.943 0.412 193 HB ILE 22 HB ILE 22 4.849 0.420 0.735 194 1HG1 ILE 22 1HG1 ILE 22 4.716 2.887 2.450 195 2HG1 ILE 22 2HG1 ILE 22 3.939 2.891 0.867 196 1HG2 ILE 22 1HG2 ILE 22 7.074 1.492 2.422 197 2HG2 ILE 22 2HG2 ILE 22 5.648 0.872 3.250 198 3HG2 ILE 22 3HG2 ILE 22 6.558 -0.174 2.165 199 1HD1 ILE 22 1HD1 ILE 22 2.943 0.588 1.694 200 2HD1 ILE 22 2HD1 ILE 22 3.291 1.252 3.288 201 3HD1 ILE 22 3HD1 ILE 22 2.205 2.107 2.197 202 H LYS 23 H LYS 23 6.298 -0.208 -1.290 203 HA LYS 23 HA LYS 23 8.857 -1.240 -0.645 204 1HB LYS 23 1HB LYS 23 7.097 -1.517 -3.098 205 2HB LYS 23 2HB LYS 23 8.553 -2.476 -2.848 206 1HG LYS 23 1HG LYS 23 6.236 -2.366 -0.897 207 2HG LYS 23 2HG LYS 23 6.455 -3.631 -2.104 208 1HD LYS 23 1HD LYS 23 8.641 -4.205 -1.107 209 2HD LYS 23 2HD LYS 23 8.416 -2.956 0.114 210 1HE LYS 23 1HE LYS 23 6.459 -5.241 -0.276 211 2HE LYS 23 2HE LYS 23 7.806 -5.304 0.867 212 1HZ LYS 23 1HZ LYS 23 6.883 -3.027 1.649 213 2HZ LYS 23 2HZ LYS 23 5.446 -3.530 0.899 214 3HZ LYS 23 3HZ LYS 23 6.119 -4.455 2.155 215 H THR 24 H THR 24 7.964 0.706 -3.526 216 HA THR 24 HA THR 24 10.604 0.908 -4.604 217 HB THR 24 HB THR 24 8.412 1.405 -5.748 218 HG1 THR 24 HG1 THR 24 9.982 2.160 -6.954 219 1HG2 THR 24 1HG2 THR 24 7.555 2.881 -3.832 220 2HG2 THR 24 2HG2 THR 24 8.600 4.141 -4.488 221 3HG2 THR 24 3HG2 THR 24 7.295 3.478 -5.470 222 H LEU 25 H LEU 25 8.928 2.805 -2.145 223 HA LEU 25 HA LEU 25 10.796 4.982 -1.909 224 1HB LEU 25 1HB LEU 25 8.324 4.142 -0.829 225 2HB LEU 25 2HB LEU 25 9.400 4.296 0.550 226 HG LEU 25 HG LEU 25 9.351 6.477 -1.515 227 1HD1 LEU 25 1HD1 LEU 25 7.286 5.983 0.641 228 2HD1 LEU 25 2HD1 LEU 25 7.568 7.572 -0.070 229 3HD1 LEU 25 3HD1 LEU 25 7.010 6.239 -1.082 230 1HD2 LEU 25 1HD2 LEU 25 10.899 6.216 0.613 231 2HD2 LEU 25 2HD2 LEU 25 10.216 7.788 0.207 232 3HD2 LEU 25 3HD2 LEU 25 9.475 6.807 1.469 233 H GLU 26 H GLU 26 10.407 1.920 -0.104 234 HA GLU 26 HA GLU 26 12.575 2.249 1.741 235 1HB GLU 26 1HB GLU 26 11.160 -0.155 0.569 236 2HB GLU 26 2HB GLU 26 12.332 -0.278 1.877 237 1HG GLU 26 1HG GLU 26 10.977 0.960 3.370 238 2HG GLU 26 2HG GLU 26 9.964 1.586 2.069 239 H HIS 27 H HIS 27 12.435 0.780 -1.493 240 HA HIS 27 HA HIS 27 14.806 -0.540 -1.837 241 1HB HIS 27 1HB HIS 27 12.842 0.173 -3.433 242 2HB HIS 27 2HB HIS 27 13.959 1.448 -3.913 243 HD1 HIS 27 HD1 HIS 27 15.537 0.806 -5.729 244 HD2 HIS 27 HD2 HIS 27 14.221 -2.532 -3.607 245 HE1 HIS 27 HE1 HIS 27 16.562 -1.213 -6.862 246 H LYS 28 H LYS 28 14.521 3.042 -1.937 247 HA LYS 28 HA LYS 28 17.512 3.178 -1.980 248 1HB LYS 28 1HB LYS 28 17.339 5.083 -3.284 249 2HB LYS 28 2HB LYS 28 15.973 4.134 -3.847 250 1HG LYS 28 1HG LYS 28 14.784 5.532 -1.836 251 2HG LYS 28 2HG LYS 28 16.019 6.685 -2.333 252 1HD LYS 28 1HD LYS 28 14.202 7.212 -3.726 253 2HD LYS 28 2HD LYS 28 15.215 6.188 -4.748 254 1HE LYS 28 1HE LYS 28 13.839 4.216 -4.140 255 2HE LYS 28 2HE LYS 28 12.795 5.261 -3.159 256 1HZ LYS 28 1HZ LYS 28 13.340 5.676 -6.058 257 2HZ LYS 28 2HZ LYS 28 11.944 4.942 -5.430 258 3HZ LYS 28 3HZ LYS 28 12.265 6.567 -5.086 259 H ARG 29 H ARG 29 14.937 3.571 0.195 260 HA ARG 29 HA ARG 29 16.240 5.778 1.700 261 1HB ARG 29 1HB ARG 29 13.551 4.445 1.685 262 2HB ARG 29 2HB ARG 29 14.058 5.382 3.086 263 1HG ARG 29 1HG ARG 29 14.440 6.626 0.399 264 2HG ARG 29 2HG ARG 29 12.797 6.523 1.020 265 1HD ARG 29 1HD ARG 29 15.049 7.625 2.716 266 2HD ARG 29 2HD ARG 29 14.105 8.659 1.627 267 HE ARG 29 HE ARG 29 12.062 7.558 2.888 268 1HH1 ARG 29 1HH1 ARG 29 13.651 6.203 4.975 269 2HH1 ARG 29 2HH1 ARG 29 13.720 7.377 6.240 270 1HH2 ARG 29 1HH2 ARG 29 12.782 10.030 4.168 271 2HH2 ARG 29 2HH2 ARG 29 13.219 9.577 5.778 272 H GLU 30 H GLU 30 15.152 2.385 2.242 273 HA GLU 30 HA GLU 30 16.056 2.161 4.939 274 1HB GLU 30 1HB GLU 30 15.238 0.369 2.741 275 2HB GLU 30 2HB GLU 30 16.357 -0.366 3.883 276 1HG GLU 30 1HG GLU 30 13.876 1.121 4.772 277 2HG GLU 30 2HG GLU 30 13.888 -0.610 4.446 278 H ASN 31 H ASN 31 17.788 1.735 1.861 279 HA ASN 31 HA ASN 31 20.301 1.157 3.359 280 1HB ASN 31 1HB ASN 31 19.289 -0.252 1.389 281 2HB ASN 31 2HB ASN 31 19.929 1.030 0.360 282 1HD2 ASN 31 2HD2 ASN 31 22.359 1.483 0.633 283 2HD2 ASN 31 1HD2 ASN 31 23.364 0.175 1.045 284 H ALA 32 H ALA 32 19.492 3.721 3.713 285 HA ALA 32 HA ALA 32 21.091 5.378 1.788 286 1HB ALA 32 1HB ALA 32 18.642 5.783 1.834 287 2HB ALA 32 2HB ALA 32 18.756 6.164 3.552 288 3HB ALA 32 3HB ALA 32 19.561 7.190 2.366 289 H LYS 33 H LYS 33 22.574 6.832 2.635 290 HA LYS 33 HA LYS 33 23.227 6.595 5.546 291 1HB LYS 33 1HB LYS 33 24.846 5.853 3.747 292 2HB LYS 33 2HB LYS 33 24.947 7.534 3.233 293 1HG LYS 33 1HG LYS 33 25.436 7.903 5.838 294 2HG LYS 33 2HG LYS 33 26.009 6.242 5.709 295 1HD LYS 33 1HD LYS 33 26.899 8.461 3.850 296 2HD LYS 33 2HD LYS 33 27.775 8.009 5.310 297 1HE LYS 33 1HE LYS 33 27.905 5.646 4.405 298 2HE LYS 33 2HE LYS 33 27.251 6.268 2.879 299 1HZ LYS 33 1HZ LYS 33 29.064 7.942 2.895 300 2HZ LYS 33 2HZ LYS 33 29.747 7.146 4.234 301 3HZ LYS 33 3HZ LYS 33 29.621 6.345 2.749 302 H GLU 34 H GLU 34 23.454 9.052 2.922 303 HA GLU 34 HA GLU 34 22.810 11.173 4.936 304 1HB GLU 34 1HB GLU 34 24.680 10.925 2.632 305 2HB GLU 34 2HB GLU 34 23.909 12.493 2.840 306 1HG GLU 34 1HG GLU 34 24.902 12.869 4.908 307 2HG GLU 34 2HG GLU 34 25.120 11.152 5.233 Start of MODEL 9 1 1H CYS 1 1H CYS 1 -16.234 -10.128 6.602 2 2H CYS 1 2H CYS 1 -17.029 -9.111 7.703 3 3H CYS 1 3H CYS 1 -17.318 -10.787 7.721 4 HA CYS 1 HA CYS 1 -18.453 -10.725 5.642 5 1HB CYS 1 1HB CYS 1 -19.427 -9.782 7.927 6 2HB CYS 1 2HB CYS 1 -19.471 -8.267 7.024 7 HG CYS 1 HG CYS 1 -21.346 -9.135 5.641 8 H ALA 2 H ALA 2 -18.323 -9.928 3.579 9 HA ALA 2 HA ALA 2 -17.234 -7.162 3.162 10 1HB ALA 2 1HB ALA 2 -15.946 -9.355 2.561 11 2HB ALA 2 2HB ALA 2 -17.049 -9.414 1.185 12 3HB ALA 2 3HB ALA 2 -15.979 -8.030 1.400 13 H VAL 3 H VAL 3 -20.178 -8.302 3.277 14 HA VAL 3 HA VAL 3 -21.014 -7.199 0.628 15 HB VAL 3 HB VAL 3 -23.053 -8.712 0.987 16 1HG1 VAL 3 1HG1 VAL 3 -20.279 -9.745 0.386 17 2HG1 VAL 3 2HG1 VAL 3 -21.738 -10.699 0.118 18 3HG1 VAL 3 3HG1 VAL 3 -21.504 -9.186 -0.755 19 1HG2 VAL 3 1HG2 VAL 3 -22.139 -9.244 3.438 20 2HG2 VAL 3 2HG2 VAL 3 -22.970 -10.475 2.495 21 3HG2 VAL 3 3HG2 VAL 3 -21.209 -10.469 2.574 22 H GLU 4 H GLU 4 -21.742 -7.132 4.117 23 HA GLU 4 HA GLU 4 -24.026 -5.310 3.610 24 1HB GLU 4 1HB GLU 4 -22.963 -6.927 5.887 25 2HB GLU 4 2HB GLU 4 -23.981 -5.537 6.260 26 1HG GLU 4 1HG GLU 4 -25.507 -7.330 6.038 27 2HG GLU 4 2HG GLU 4 -25.613 -6.468 4.504 28 H LEU 5 H LEU 5 -21.702 -4.130 2.779 29 HA LEU 5 HA LEU 5 -21.515 -1.782 4.543 30 1HB LEU 5 1HB LEU 5 -19.064 -1.960 4.748 31 2HB LEU 5 2HB LEU 5 -19.876 -3.337 5.481 32 HG LEU 5 HG LEU 5 -19.174 -3.710 2.632 33 1HD1 LEU 5 1HD1 LEU 5 -17.216 -2.417 3.374 34 2HD1 LEU 5 2HD1 LEU 5 -17.004 -3.514 4.738 35 3HD1 LEU 5 3HD1 LEU 5 -16.789 -4.103 3.091 36 1HD2 LEU 5 1HD2 LEU 5 -19.268 -5.238 5.190 37 2HD2 LEU 5 2HD2 LEU 5 -19.826 -5.699 3.583 38 3HD2 LEU 5 3HD2 LEU 5 -18.113 -5.790 3.982 39 H ARG 6 H ARG 6 -22.465 -2.287 1.790 40 HA ARG 6 HA ARG 6 -22.458 -1.302 -0.280 41 1HB ARG 6 1HB ARG 6 -22.265 0.908 -0.051 42 2HB ARG 6 2HB ARG 6 -21.766 0.582 1.596 43 1HG ARG 6 1HG ARG 6 -19.363 0.389 0.497 44 2HG ARG 6 2HG ARG 6 -20.109 1.331 -0.792 45 1HD ARG 6 1HD ARG 6 -20.933 2.872 1.179 46 2HD ARG 6 2HD ARG 6 -19.598 2.112 2.067 47 HE ARG 6 HE ARG 6 -18.370 2.777 -0.281 48 1HH1 ARG 6 1HH1 ARG 6 -20.519 4.861 -0.657 49 2HH1 ARG 6 2HH1 ARG 6 -19.801 6.250 0.080 50 1HH2 ARG 6 1HH2 ARG 6 -17.377 4.390 1.777 51 2HH2 ARG 6 2HH2 ARG 6 -17.991 5.980 1.483 52 H SER 7 H SER 7 -19.948 -3.106 0.634 53 HA SER 7 HA SER 7 -18.247 -4.178 -0.448 54 1HB SER 7 1HB SER 7 -19.786 -2.945 -2.685 55 2HB SER 7 2HB SER 7 -18.193 -3.585 -3.049 56 HG SER 7 HG SER 7 -20.461 -4.889 -1.964 57 HA PRO 8 HA PRO 8 -14.967 -1.251 -0.383 58 1HB PRO 8 1HB PRO 8 -12.877 -2.948 -0.840 59 2HB PRO 8 2HB PRO 8 -13.759 -2.861 0.695 60 1HG PRO 8 1HG PRO 8 -13.837 -4.927 -1.379 61 2HG PRO 8 2HG PRO 8 -14.235 -5.026 0.340 62 1HD PRO 8 1HD PRO 8 -16.038 -4.848 -1.829 63 2HD PRO 8 2HD PRO 8 -16.416 -4.807 -0.094 64 H GLY 9 H GLY 9 -13.769 -3.467 -2.968 65 1HA GLY 9 1HA GLY 9 -13.322 -3.064 -5.225 66 2HA GLY 9 2HA GLY 9 -14.431 -1.696 -5.147 67 H ILE 10 H ILE 10 -13.604 0.369 -4.480 68 HA ILE 10 HA ILE 10 -10.956 0.963 -5.387 69 HB ILE 10 HB ILE 10 -12.965 2.469 -5.395 70 1HG1 ILE 10 1HG1 ILE 10 -10.453 3.483 -4.043 71 2HG1 ILE 10 2HG1 ILE 10 -10.706 3.316 -5.777 72 1HG2 ILE 10 1HG2 ILE 10 -13.622 1.930 -2.992 73 2HG2 ILE 10 2HG2 ILE 10 -12.308 2.995 -2.489 74 3HG2 ILE 10 3HG2 ILE 10 -13.654 3.637 -3.430 75 1HD1 ILE 10 1HD1 ILE 10 -12.845 4.860 -5.154 76 2HD1 ILE 10 2HD1 ILE 10 -11.715 5.393 -3.910 77 3HD1 ILE 10 3HD1 ILE 10 -11.279 5.527 -5.613 78 H SER 11 H SER 11 -12.301 0.434 -2.122 79 HA SER 11 HA SER 11 -9.832 1.165 -0.768 80 1HB SER 11 1HB SER 11 -12.443 0.952 -0.022 81 2HB SER 11 2HB SER 11 -11.811 -0.566 0.604 82 HG SER 11 HG SER 11 -11.464 0.958 2.168 83 H ARG 12 H ARG 12 -11.048 -1.811 -2.188 84 HA ARG 12 HA ARG 12 -9.143 -3.488 -0.714 85 1HB ARG 12 1HB ARG 12 -10.343 -5.242 -1.594 86 2HB ARG 12 2HB ARG 12 -11.551 -3.983 -1.772 87 1HG ARG 12 1HG ARG 12 -10.705 -3.641 -4.135 88 2HG ARG 12 2HG ARG 12 -9.699 -5.069 -3.912 89 1HD ARG 12 1HD ARG 12 -12.654 -5.223 -3.331 90 2HD ARG 12 2HD ARG 12 -12.062 -5.380 -4.996 91 HE ARG 12 HE ARG 12 -11.237 -7.176 -2.748 92 1HH1 ARG 12 1HH2 ARG 12 -13.005 -8.285 -4.846 93 2HH1 ARG 12 2HH2 ARG 12 -11.889 -9.019 -5.944 94 1HH2 ARG 12 1HH1 ARG 12 -9.131 -7.283 -4.686 95 2HH2 ARG 12 2HH1 ARG 12 -9.665 -8.445 -5.851 96 H PHE 13 H PHE 13 -9.192 -1.639 -3.671 97 HA PHE 13 HA PHE 13 -6.765 -2.952 -4.730 98 1HB PHE 13 1HB PHE 13 -7.809 -2.487 -6.663 99 2HB PHE 13 2HB PHE 13 -9.110 -1.731 -5.773 100 HD1 PHE 13 HD1 PHE 13 -6.001 -1.165 -7.684 101 HD2 PHE 13 HD2 PHE 13 -9.233 0.690 -5.556 102 HE1 PHE 13 HE1 PHE 13 -5.392 1.028 -8.668 103 HE2 PHE 13 HE2 PHE 13 -8.627 2.885 -6.539 104 HZ PHE 13 HZ PHE 13 -6.708 3.054 -8.093 105 H ARG 14 H ARG 14 -7.777 0.128 -3.218 106 HA ARG 14 HA ARG 14 -5.455 1.657 -3.801 107 1HB ARG 14 1HB ARG 14 -6.198 3.105 -2.067 108 2HB ARG 14 2HB ARG 14 -7.649 2.417 -2.777 109 1HG ARG 14 1HG ARG 14 -7.783 0.788 -0.929 110 2HG ARG 14 2HG ARG 14 -6.314 1.457 -0.223 111 1HD ARG 14 1HD ARG 14 -8.743 3.177 -0.770 112 2HD ARG 14 2HD ARG 14 -8.517 2.322 0.767 113 HE ARG 14 HE ARG 14 -6.142 3.840 -0.012 114 1HH1 ARG 14 1HH2 ARG 14 -8.202 5.940 -0.052 115 2HH1 ARG 14 2HH2 ARG 14 -8.287 6.436 1.602 116 1HH2 ARG 14 1HH1 ARG 14 -6.678 3.564 2.788 117 2HH2 ARG 14 2HH1 ARG 14 -7.409 5.066 3.240 118 H ARG 15 H ARG 15 -5.907 -0.935 -1.460 119 HA ARG 15 HA ARG 15 -3.649 -0.430 0.244 120 1HB ARG 15 1HB ARG 15 -5.091 -2.957 -0.628 121 2HB ARG 15 2HB ARG 15 -3.842 -2.941 0.617 122 1HG ARG 15 1HG ARG 15 -5.156 -1.788 2.130 123 2HG ARG 15 2HG ARG 15 -6.104 -0.996 0.871 124 1HD ARG 15 1HD ARG 15 -7.205 -3.159 0.346 125 2HD ARG 15 2HD ARG 15 -6.303 -3.923 1.673 126 HE ARG 15 HE ARG 15 -8.387 -1.828 2.005 127 1HH1 ARG 15 1HH2 ARG 15 -8.509 -4.581 3.292 128 2HH1 ARG 15 2HH2 ARG 15 -8.019 -4.232 4.911 129 1HH2 ARG 15 1HH1 ARG 15 -6.675 -1.117 4.114 130 2HH2 ARG 15 2HH1 ARG 15 -6.970 -2.255 5.383 131 H LYS 16 H LYS 16 -4.028 -2.286 -2.795 132 HA LYS 16 HA LYS 16 -1.294 -3.187 -2.967 133 1HB LYS 16 1HB LYS 16 -3.613 -3.738 -4.299 134 2HB LYS 16 2HB LYS 16 -2.822 -2.689 -5.474 135 1HG LYS 16 1HG LYS 16 -1.350 -4.990 -4.187 136 2HG LYS 16 2HG LYS 16 -2.343 -5.224 -5.624 137 1HD LYS 16 1HD LYS 16 -1.022 -3.411 -6.758 138 2HD LYS 16 2HD LYS 16 0.038 -3.370 -5.351 139 1HE LYS 16 1HE LYS 16 0.486 -5.832 -5.702 140 2HE LYS 16 2HE LYS 16 -0.403 -5.715 -7.231 141 1HZ LYS 16 1HZ LYS 16 1.925 -4.011 -6.493 142 2HZ LYS 16 2HZ LYS 16 1.988 -5.347 -7.533 143 3HZ LYS 16 3HZ LYS 16 1.076 -3.980 -7.966 144 H ILE 17 H ILE 17 -3.001 -0.283 -4.152 145 HA ILE 17 HA ILE 17 -0.910 0.823 -5.730 146 HB ILE 17 HB ILE 17 -3.512 1.506 -4.779 147 1HG1 ILE 17 1HG1 ILE 17 -1.740 2.978 -6.734 148 2HG1 ILE 17 2HG1 ILE 17 -2.606 1.488 -7.102 149 1HG2 ILE 17 1HG2 ILE 17 -1.534 3.760 -4.350 150 2HG2 ILE 17 2HG2 ILE 17 -3.285 3.951 -4.429 151 3HG2 ILE 17 3HG2 ILE 17 -2.560 3.021 -3.121 152 1HD1 ILE 17 1HD1 ILE 17 -4.712 2.796 -6.271 153 2HD1 ILE 17 2HD1 ILE 17 -3.720 4.227 -6.553 154 3HD1 ILE 17 3HD1 ILE 17 -4.079 3.129 -7.884 155 H ALA 18 H ALA 18 -1.534 0.940 -2.245 156 HA ALA 18 HA ALA 18 0.590 2.766 -1.536 157 1HB ALA 18 1HB ALA 18 -1.549 1.947 -0.248 158 2HB ALA 18 2HB ALA 18 -0.519 0.607 0.254 159 3HB ALA 18 3HB ALA 18 -0.075 2.261 0.669 160 H LYS 19 H LYS 19 0.355 -0.819 -1.693 161 HA LYS 19 HA LYS 19 2.907 -1.478 -0.624 162 1HB LYS 19 1HB LYS 19 0.955 -2.995 -1.283 163 2HB LYS 19 2HB LYS 19 1.533 -2.864 -2.944 164 1HG LYS 19 1HG LYS 19 3.855 -3.536 -1.801 165 2HG LYS 19 2HG LYS 19 2.774 -4.262 -0.612 166 1HD LYS 19 1HD LYS 19 1.771 -5.683 -2.207 167 2HD LYS 19 2HD LYS 19 2.398 -4.754 -3.566 168 1HE LYS 19 1HE LYS 19 4.375 -5.981 -1.672 169 2HE LYS 19 2HE LYS 19 3.562 -7.036 -2.838 170 1HZ LYS 19 1HZ LYS 19 4.195 -5.506 -4.614 171 2HZ LYS 19 2HZ LYS 19 5.027 -4.529 -3.499 172 3HZ LYS 19 3HZ LYS 19 5.562 -6.104 -3.812 173 H ARG 20 H ARG 20 1.956 -0.484 -3.899 174 HA ARG 20 HA ARG 20 4.582 -0.840 -5.114 175 1HB ARG 20 1HB ARG 20 2.026 -0.644 -6.014 176 2HB ARG 20 2HB ARG 20 2.573 1.007 -6.286 177 1HG ARG 20 1HG ARG 20 4.110 -1.426 -7.229 178 2HG ARG 20 2HG ARG 20 2.939 -0.565 -8.228 179 1HD ARG 20 1HD ARG 20 4.511 1.507 -7.314 180 2HD ARG 20 2HD ARG 20 5.694 0.202 -7.512 181 HE ARG 20 HE ARG 20 4.430 -0.093 -9.830 182 1HH1 ARG 20 1HH2 ARG 20 6.847 1.605 -9.886 183 2HH1 ARG 20 2HH2 ARG 20 6.265 3.094 -10.544 184 1HH2 ARG 20 1HH1 ARG 20 2.912 2.341 -9.918 185 2HH2 ARG 20 2HH1 ARG 20 4.005 3.516 -10.565 186 H SER 21 H SER 21 2.817 1.864 -3.597 187 HA SER 21 HA SER 21 4.894 3.816 -4.369 188 1HB SER 21 1HB SER 21 2.238 3.921 -2.948 189 2HB SER 21 2HB SER 21 3.295 5.326 -3.058 190 HG SER 21 HG SER 21 1.598 4.542 -4.848 191 H ILE 22 H ILE 22 4.473 1.663 -1.700 192 HA ILE 22 HA ILE 22 6.079 3.443 0.085 193 HB ILE 22 HB ILE 22 4.236 1.093 0.618 194 1HG1 ILE 22 1HG1 ILE 22 4.095 3.971 1.570 195 2HG1 ILE 22 2HG1 ILE 22 3.262 3.386 0.130 196 1HG2 ILE 22 1HG2 ILE 22 6.098 2.598 2.468 197 2HG2 ILE 22 2HG2 ILE 22 4.671 1.751 3.065 198 3HG2 ILE 22 3HG2 ILE 22 5.950 0.855 2.252 199 1HD1 ILE 22 1HD1 ILE 22 2.285 1.568 1.738 200 2HD1 ILE 22 2HD1 ILE 22 2.762 2.691 3.013 201 3HD1 ILE 22 3HD1 ILE 22 1.610 3.196 1.777 202 H LYS 23 H LYS 23 5.849 -0.036 -0.897 203 HA LYS 23 HA LYS 23 8.296 -0.887 0.263 204 1HB LYS 23 1HB LYS 23 6.341 -2.188 -0.847 205 2HB LYS 23 2HB LYS 23 7.215 -1.932 -2.355 206 1HG LYS 23 1HG LYS 23 7.903 -4.069 -1.509 207 2HG LYS 23 2HG LYS 23 9.243 -2.958 -1.243 208 1HD LYS 23 1HD LYS 23 9.197 -3.435 0.948 209 2HD LYS 23 2HD LYS 23 7.566 -2.792 1.051 210 1HE LYS 23 1HE LYS 23 6.936 -4.897 1.619 211 2HE LYS 23 2HE LYS 23 7.177 -5.312 -0.085 212 1HZ LYS 23 1HZ LYS 23 9.415 -5.301 1.871 213 2HZ LYS 23 2HZ LYS 23 8.476 -6.680 1.578 214 3HZ LYS 23 3HZ LYS 23 9.374 -5.997 0.319 215 H THR 24 H THR 24 7.698 0.410 -3.013 216 HA THR 24 HA THR 24 10.367 0.211 -4.019 217 HB THR 24 HB THR 24 8.310 2.338 -4.690 218 HG1 THR 24 HG1 THR 24 7.057 0.799 -5.333 219 1HG2 THR 24 1HG2 THR 24 10.537 0.979 -6.207 220 2HG2 THR 24 2HG2 THR 24 9.241 1.863 -7.016 221 3HG2 THR 24 3HG2 THR 24 10.317 2.702 -5.898 222 H LEU 25 H LEU 25 8.743 2.675 -2.051 223 HA LEU 25 HA LEU 25 10.883 4.649 -2.156 224 1HB LEU 25 1HB LEU 25 8.222 4.647 -1.624 225 2HB LEU 25 2HB LEU 25 8.875 4.697 0.008 226 HG LEU 25 HG LEU 25 10.408 6.528 -1.527 227 1HD1 LEU 25 1HD1 LEU 25 7.451 6.586 -2.107 228 2HD1 LEU 25 2HD1 LEU 25 8.395 8.075 -2.104 229 3HD1 LEU 25 3HD1 LEU 25 8.800 6.776 -3.225 230 1HD2 LEU 25 1HD2 LEU 25 8.243 6.820 0.576 231 2HD2 LEU 25 2HD2 LEU 25 9.989 6.832 0.821 232 3HD2 LEU 25 3HD2 LEU 25 9.207 8.178 -0.005 233 H GLU 26 H GLU 26 10.894 1.681 -0.543 234 HA GLU 26 HA GLU 26 12.297 2.778 1.859 235 1HB GLU 26 1HB GLU 26 10.586 0.415 1.260 236 2HB GLU 26 2HB GLU 26 11.882 0.182 2.429 237 1HG GLU 26 1HG GLU 26 10.270 2.647 2.785 238 2HG GLU 26 2HG GLU 26 9.421 1.133 3.080 239 H HIS 27 H HIS 27 12.513 -0.162 -0.189 240 HA HIS 27 HA HIS 27 15.053 -1.054 0.383 241 1HB HIS 27 1HB HIS 27 13.579 -1.008 -2.248 242 2HB HIS 27 2HB HIS 27 15.052 -1.932 -1.985 243 HD1 HIS 27 HD1 HIS 27 11.629 -2.487 -2.091 244 HD2 HIS 27 HD2 HIS 27 14.518 -3.543 0.718 245 HE1 HIS 27 HE1 HIS 27 10.669 -4.420 -0.765 246 H LYS 28 H LYS 28 14.687 0.788 -2.682 247 HA LYS 28 HA LYS 28 17.458 1.392 -2.962 248 1HB LYS 28 1HB LYS 28 14.929 2.634 -4.051 249 2HB LYS 28 2HB LYS 28 16.531 3.177 -4.537 250 1HG LYS 28 1HG LYS 28 16.914 0.579 -4.963 251 2HG LYS 28 2HG LYS 28 15.156 0.582 -5.112 252 1HD LYS 28 1HD LYS 28 15.642 2.702 -6.650 253 2HD LYS 28 2HD LYS 28 17.205 1.913 -6.839 254 1HE LYS 28 1HE LYS 28 15.016 -0.005 -7.114 255 2HE LYS 28 2HE LYS 28 14.879 1.321 -8.280 256 1HZ LYS 28 1HZ LYS 28 17.354 -0.250 -7.775 257 2HZ LYS 28 2HZ LYS 28 16.320 -0.455 -9.105 258 3HZ LYS 28 3HZ LYS 28 17.174 0.995 -8.920 259 H ARG 29 H ARG 29 14.818 3.342 -1.591 260 HA ARG 29 HA ARG 29 16.164 5.781 -1.124 261 1HB ARG 29 1HB ARG 29 13.750 5.396 -1.044 262 2HB ARG 29 2HB ARG 29 13.945 4.399 0.391 263 1HG ARG 29 1HG ARG 29 13.197 6.596 1.060 264 2HG ARG 29 2HG ARG 29 14.863 6.390 1.593 265 1HD ARG 29 1HD ARG 29 14.623 7.543 -1.116 266 2HD ARG 29 2HD ARG 29 13.954 8.571 0.170 267 HE ARG 29 HE ARG 29 16.752 7.502 0.176 268 1HH1 ARG 29 1HH2 ARG 29 16.522 10.370 -0.347 269 2HH1 ARG 29 2HH2 ARG 29 16.628 11.086 1.223 270 1HH2 ARG 29 1HH1 ARG 29 15.920 8.083 2.879 271 2HH2 ARG 29 2HH1 ARG 29 16.282 9.762 3.091 272 H GLU 30 H GLU 30 16.087 2.852 0.948 273 HA GLU 30 HA GLU 30 17.518 4.210 3.124 274 1HB GLU 30 1HB GLU 30 16.595 1.375 2.608 275 2HB GLU 30 2HB GLU 30 17.483 1.837 4.062 276 1HG GLU 30 1HG GLU 30 15.760 3.481 4.634 277 2HG GLU 30 2HG GLU 30 14.888 3.119 3.149 278 H ASN 31 H ASN 31 18.367 1.528 0.849 279 HA ASN 31 HA ASN 31 21.222 1.874 1.601 280 1HB ASN 31 1HB ASN 31 19.988 -0.359 1.488 281 2HB ASN 31 2HB ASN 31 20.003 -0.171 -0.267 282 1HD2 ASN 31 2HD2 ASN 31 21.855 -1.018 -1.296 283 2HD2 ASN 31 1HD2 ASN 31 23.338 -1.297 -0.519 284 H ALA 32 H ALA 32 20.160 4.056 0.138 285 HA ALA 32 HA ALA 32 20.544 3.924 -2.698 286 1HB ALA 32 1HB ALA 32 20.765 6.214 -0.717 287 2HB ALA 32 2HB ALA 32 20.681 6.414 -2.468 288 3HB ALA 32 3HB ALA 32 19.319 5.717 -1.592 289 H LYS 33 H LYS 33 22.776 5.029 -0.110 290 HA LYS 33 HA LYS 33 25.117 3.997 -1.475 291 1HB LYS 33 1HB LYS 33 24.273 6.306 -2.560 292 2HB LYS 33 2HB LYS 33 25.214 6.974 -1.228 293 1HG LYS 33 1HG LYS 33 26.793 4.904 -2.322 294 2HG LYS 33 2HG LYS 33 26.144 5.793 -3.697 295 1HD LYS 33 1HD LYS 33 27.745 7.334 -3.352 296 2HD LYS 33 2HD LYS 33 26.905 7.782 -1.868 297 1HE LYS 33 1HE LYS 33 28.247 6.289 -0.547 298 2HE LYS 33 2HE LYS 33 28.933 5.524 -1.992 299 1HZ LYS 33 1HZ LYS 33 29.255 8.387 -1.246 300 2HZ LYS 33 2HZ LYS 33 30.440 7.191 -1.082 301 3HZ LYS 33 3HZ LYS 33 29.907 7.640 -2.629 302 H GLU 34 H GLU 34 24.279 6.688 0.718 303 HA GLU 34 HA GLU 34 25.142 7.404 2.716 304 1HB GLU 34 1HB GLU 34 24.537 5.907 4.452 305 2HB GLU 34 2HB GLU 34 23.441 5.616 3.114 306 1HG GLU 34 1HG GLU 34 24.242 3.495 2.757 307 2HG GLU 34 2HG GLU 34 25.888 3.916 3.223 Start of MODEL 10 1 1H CYS 1 1H CYS 1 -14.852 3.607 8.524 2 2H CYS 1 2H CYS 1 -15.956 4.856 8.204 3 3H CYS 1 3H CYS 1 -16.322 3.681 9.369 4 HA CYS 1 HA CYS 1 -16.459 1.962 7.700 5 1HB CYS 1 1HB CYS 1 -18.035 4.504 7.477 6 2HB CYS 1 2HB CYS 1 -18.333 3.224 6.305 7 HG CYS 1 HG CYS 1 -19.274 1.744 8.111 8 H ALA 2 H ALA 2 -16.277 5.096 5.933 9 HA ALA 2 HA ALA 2 -15.369 5.671 3.879 10 1HB ALA 2 1HB ALA 2 -13.341 5.269 5.210 11 2HB ALA 2 2HB ALA 2 -13.366 3.565 4.756 12 3HB ALA 2 3HB ALA 2 -13.083 4.800 3.531 13 H VAL 3 H VAL 3 -17.492 3.985 3.568 14 HA VAL 3 HA VAL 3 -16.709 1.955 1.506 15 HB VAL 3 HB VAL 3 -18.898 1.002 1.959 16 1HG1 VAL 3 1HG1 VAL 3 -16.916 0.473 3.449 17 2HG1 VAL 3 2HG1 VAL 3 -17.593 1.604 4.622 18 3HG1 VAL 3 3HG1 VAL 3 -18.497 0.162 4.162 19 1HG2 VAL 3 1HG2 VAL 3 -19.440 3.616 2.989 20 2HG2 VAL 3 2HG2 VAL 3 -20.564 2.285 2.757 21 3HG2 VAL 3 3HG2 VAL 3 -19.705 2.458 4.291 22 H GLU 4 H GLU 4 -17.048 4.966 1.102 23 HA GLU 4 HA GLU 4 -17.939 6.446 -0.439 24 1HB GLU 4 1HB GLU 4 -17.256 4.098 -1.663 25 2HB GLU 4 2HB GLU 4 -18.925 4.290 -2.189 26 1HG GLU 4 1HG GLU 4 -17.201 6.711 -2.320 27 2HG GLU 4 2HG GLU 4 -16.856 5.428 -3.477 28 H LEU 5 H LEU 5 -19.852 5.123 1.620 29 HA LEU 5 HA LEU 5 -22.095 5.149 2.204 30 1HB LEU 5 1HB LEU 5 -21.916 7.422 0.207 31 2HB LEU 5 2HB LEU 5 -23.311 7.140 1.230 32 HG LEU 5 HG LEU 5 -22.046 8.795 2.336 33 1HD1 LEU 5 1HD1 LEU 5 -22.768 6.899 3.807 34 2HD1 LEU 5 2HD1 LEU 5 -21.138 6.241 3.671 35 3HD1 LEU 5 3HD1 LEU 5 -21.394 7.814 4.426 36 1HD2 LEU 5 1HD2 LEU 5 -19.902 7.999 0.929 37 2HD2 LEU 5 2HD2 LEU 5 -19.762 8.990 2.379 38 3HD2 LEU 5 3HD2 LEU 5 -19.500 7.251 2.474 39 H ARG 6 H ARG 6 -21.248 3.457 -0.167 40 HA ARG 6 HA ARG 6 -23.933 2.739 -1.158 41 1HB ARG 6 1HB ARG 6 -22.141 4.451 -2.536 42 2HB ARG 6 2HB ARG 6 -22.039 2.896 -3.341 43 1HG ARG 6 1HG ARG 6 -23.862 3.643 -4.485 44 2HG ARG 6 2HG ARG 6 -24.744 3.131 -3.049 45 1HD ARG 6 1HD ARG 6 -25.488 5.285 -2.981 46 2HD ARG 6 2HD ARG 6 -23.888 5.661 -2.321 47 HE ARG 6 HE ARG 6 -24.519 5.804 -5.251 48 1HH1 ARG 6 1HH1 ARG 6 -21.654 5.787 -3.972 49 2HH1 ARG 6 2HH1 ARG 6 -21.273 7.466 -4.069 50 1HH2 ARG 6 1HH2 ARG 6 -24.569 8.432 -4.723 51 2HH2 ARG 6 2HH2 ARG 6 -22.946 8.987 -4.508 52 H SER 7 H SER 7 -20.436 2.168 -1.814 53 HA SER 7 HA SER 7 -20.561 -0.614 -0.889 54 1HB SER 7 1HB SER 7 -19.894 -1.489 -3.130 55 2HB SER 7 2HB SER 7 -21.500 -0.785 -3.129 56 HG SER 7 HG SER 7 -20.783 0.791 -4.403 57 HA PRO 8 HA PRO 8 -16.349 0.548 -0.072 58 1HB PRO 8 1HB PRO 8 -15.291 -1.910 0.462 59 2HB PRO 8 2HB PRO 8 -16.361 -1.047 1.586 60 1HG PRO 8 1HG PRO 8 -16.970 -3.296 -0.242 61 2HG PRO 8 2HG PRO 8 -17.592 -2.951 1.380 62 1HD PRO 8 1HD PRO 8 -18.972 -2.473 -0.928 63 2HD PRO 8 2HD PRO 8 -19.251 -1.616 0.603 64 H GLY 9 H GLY 9 -16.413 1.024 -2.549 65 1HA GLY 9 1HA GLY 9 -14.704 -0.845 -4.117 66 2HA GLY 9 2HA GLY 9 -15.752 0.401 -4.800 67 H ILE 10 H ILE 10 -12.937 0.089 -5.319 68 HA ILE 10 HA ILE 10 -11.149 1.428 -5.791 69 HB ILE 10 HB ILE 10 -13.183 3.238 -5.316 70 1HG1 ILE 10 1HG1 ILE 10 -10.333 3.525 -6.254 71 2HG1 ILE 10 2HG1 ILE 10 -11.790 3.325 -7.225 72 1HG2 ILE 10 1HG2 ILE 10 -12.285 3.670 -2.999 73 2HG2 ILE 10 2HG2 ILE 10 -10.789 4.229 -3.745 74 3HG2 ILE 10 3HG2 ILE 10 -12.300 5.087 -4.040 75 1HD1 ILE 10 1HD1 ILE 10 -12.559 5.562 -6.178 76 2HD1 ILE 10 2HD1 ILE 10 -10.871 5.763 -5.708 77 3HD1 ILE 10 3HD1 ILE 10 -11.299 5.629 -7.415 78 H SER 11 H SER 11 -12.217 1.700 -2.416 79 HA SER 11 HA SER 11 -9.583 2.048 -1.305 80 1HB SER 11 1HB SER 11 -11.889 2.646 -0.382 81 2HB SER 11 2HB SER 11 -12.047 0.947 0.057 82 HG SER 11 HG SER 11 -11.095 2.534 1.652 83 H ARG 12 H ARG 12 -11.592 -0.821 -1.973 84 HA ARG 12 HA ARG 12 -10.055 -2.761 -0.538 85 1HB ARG 12 1HB ARG 12 -12.140 -2.681 -2.593 86 2HB ARG 12 2HB ARG 12 -11.030 -4.025 -2.841 87 1HG ARG 12 1HG ARG 12 -12.026 -3.538 -0.063 88 2HG ARG 12 2HG ARG 12 -13.140 -4.244 -1.229 89 1HD ARG 12 1HD ARG 12 -11.868 -6.183 -1.491 90 2HD ARG 12 2HD ARG 12 -10.366 -5.394 -0.971 91 HE ARG 12 HE ARG 12 -12.602 -6.113 0.882 92 1HH1 ARG 12 1HH1 ARG 12 -10.947 -3.954 1.984 93 2HH1 ARG 12 2HH1 ARG 12 -9.690 -4.799 2.821 94 1HH2 ARG 12 1HH2 ARG 12 -10.291 -7.817 1.157 95 2HH2 ARG 12 2HH2 ARG 12 -9.308 -7.027 2.338 96 H PHE 13 H PHE 13 -9.725 -1.448 -3.825 97 HA PHE 13 HA PHE 13 -7.429 -3.105 -4.518 98 1HB PHE 13 1HB PHE 13 -8.371 -2.590 -6.489 99 2HB PHE 13 2HB PHE 13 -9.358 -1.344 -5.759 100 HD1 PHE 13 HD1 PHE 13 -6.122 -2.067 -7.422 101 HD2 PHE 13 HD2 PHE 13 -8.757 0.985 -5.940 102 HE1 PHE 13 HE1 PHE 13 -4.797 -0.341 -8.609 103 HE2 PHE 13 HE2 PHE 13 -7.433 2.708 -7.127 104 HZ PHE 13 HZ PHE 13 -5.455 2.048 -8.460 105 H ARG 14 H ARG 14 -7.895 0.094 -3.090 106 HA ARG 14 HA ARG 14 -5.404 1.313 -3.570 107 1HB ARG 14 1HB ARG 14 -7.496 1.450 -1.443 108 2HB ARG 14 2HB ARG 14 -5.961 2.264 -1.142 109 1HG ARG 14 1HG ARG 14 -6.173 3.541 -3.200 110 2HG ARG 14 2HG ARG 14 -7.630 2.659 -3.639 111 1HD ARG 14 1HD ARG 14 -8.622 4.524 -2.695 112 2HD ARG 14 2HD ARG 14 -8.419 3.571 -1.217 113 HE ARG 14 HE ARG 14 -5.992 4.961 -1.584 114 1HH1 ARG 14 1HH1 ARG 14 -7.712 7.156 -2.599 115 2HH1 ARG 14 2HH1 ARG 14 -8.133 8.009 -1.155 116 1HH2 ARG 14 1HH2 ARG 14 -7.222 5.369 0.950 117 2HH2 ARG 14 2HH2 ARG 14 -7.849 6.980 0.890 118 H ARG 15 H ARG 15 -6.119 -1.335 -1.321 119 HA ARG 15 HA ARG 15 -3.855 -1.192 0.391 120 1HB ARG 15 1HB ARG 15 -5.764 -3.265 -0.568 121 2HB ARG 15 2HB ARG 15 -4.252 -3.865 0.107 122 1HG ARG 15 1HG ARG 15 -5.630 -1.719 1.644 123 2HG ARG 15 2HG ARG 15 -6.405 -3.302 1.627 124 1HD ARG 15 1HD ARG 15 -4.714 -4.305 2.831 125 2HD ARG 15 2HD ARG 15 -3.458 -3.264 2.134 126 HE ARG 15 HE ARG 15 -4.094 -1.503 3.671 127 1HH1 ARG 15 1HH2 ARG 15 -3.876 -3.951 5.467 128 2HH1 ARG 15 2HH2 ARG 15 -5.305 -3.803 6.426 129 1HH2 ARG 15 1HH1 ARG 15 -6.803 -1.494 4.274 130 2HH2 ARG 15 2HH1 ARG 15 -6.988 -2.387 5.742 131 H LYS 16 H LYS 16 -4.215 -2.731 -2.822 132 HA LYS 16 HA LYS 16 -1.523 -3.776 -2.965 133 1HB LYS 16 1HB LYS 16 -3.562 -4.522 -4.282 134 2HB LYS 16 2HB LYS 16 -3.402 -3.049 -5.233 135 1HG LYS 16 1HG LYS 16 -2.247 -4.642 -6.517 136 2HG LYS 16 2HG LYS 16 -0.961 -3.817 -5.642 137 1HD LYS 16 1HD LYS 16 -1.617 -5.815 -3.877 138 2HD LYS 16 2HD LYS 16 -1.895 -6.606 -5.430 139 1HE LYS 16 1HE LYS 16 0.408 -5.775 -6.145 140 2HE LYS 16 2HE LYS 16 0.675 -5.325 -4.450 141 1HZ LYS 16 1HZ LYS 16 -0.109 -8.031 -5.402 142 2HZ LYS 16 2HZ LYS 16 1.449 -7.579 -4.905 143 3HZ LYS 16 3HZ LYS 16 0.166 -7.590 -3.789 144 H ILE 17 H ILE 17 -3.024 -0.684 -3.913 145 HA ILE 17 HA ILE 17 -0.849 0.365 -5.457 146 HB ILE 17 HB ILE 17 -2.950 1.717 -3.724 147 1HG1 ILE 17 1HG1 ILE 17 -3.962 0.415 -5.515 148 2HG1 ILE 17 2HG1 ILE 17 -4.085 2.125 -5.911 149 1HG2 ILE 17 1HG2 ILE 17 -0.954 2.855 -5.667 150 2HG2 ILE 17 2HG2 ILE 17 -2.498 3.658 -5.380 151 3HG2 ILE 17 3HG2 ILE 17 -1.370 3.414 -4.047 152 1HD1 ILE 17 1HD1 ILE 17 -1.692 1.496 -7.083 153 2HD1 ILE 17 2HD1 ILE 17 -2.574 -0.020 -7.270 154 3HD1 ILE 17 3HD1 ILE 17 -3.244 1.475 -7.920 155 H ALA 18 H ALA 18 -1.567 0.421 -1.958 156 HA ALA 18 HA ALA 18 0.694 2.025 -1.163 157 1HB ALA 18 1HB ALA 18 -1.284 0.171 0.117 158 2HB ALA 18 2HB ALA 18 0.175 0.558 1.031 159 3HB ALA 18 3HB ALA 18 -0.908 1.848 0.511 160 H LYS 19 H LYS 19 0.227 -1.484 -1.642 161 HA LYS 19 HA LYS 19 2.788 -2.319 -0.628 162 1HB LYS 19 1HB LYS 19 0.521 -3.572 -1.332 163 2HB LYS 19 2HB LYS 19 1.422 -3.815 -2.828 164 1HG LYS 19 1HG LYS 19 3.104 -5.059 -1.769 165 2HG LYS 19 2HG LYS 19 2.715 -4.413 -0.175 166 1HD LYS 19 1HD LYS 19 0.364 -5.619 -0.749 167 2HD LYS 19 2HD LYS 19 1.455 -6.651 -1.673 168 1HE LYS 19 1HE LYS 19 2.884 -6.580 0.581 169 2HE LYS 19 2HE LYS 19 1.295 -6.246 1.291 170 1HZ LYS 19 1HZ LYS 19 1.907 -8.513 -0.541 171 2HZ LYS 19 2HZ LYS 19 1.711 -8.628 1.140 172 3HZ LYS 19 3HZ LYS 19 0.399 -8.184 0.162 173 H ARG 20 H ARG 20 1.963 -0.613 -3.518 174 HA ARG 20 HA ARG 20 4.363 -1.493 -5.022 175 1HB ARG 20 1HB ARG 20 1.885 0.153 -5.553 176 2HB ARG 20 2HB ARG 20 3.270 0.265 -6.638 177 1HG ARG 20 1HG ARG 20 2.886 -2.489 -6.203 178 2HG ARG 20 2HG ARG 20 1.272 -1.823 -6.439 179 1HD ARG 20 1HD ARG 20 3.083 -0.650 -8.373 180 2HD ARG 20 2HD ARG 20 3.170 -2.419 -8.453 181 HE ARG 20 HE ARG 20 0.690 -2.447 -8.677 182 1HH1 ARG 20 1HH1 ARG 20 0.387 0.484 -7.804 183 2HH1 ARG 20 2HH1 ARG 20 0.001 1.239 -9.312 184 1HH2 ARG 20 1HH2 ARG 20 1.061 -1.485 -11.223 185 2HH2 ARG 20 2HH2 ARG 20 0.389 0.106 -11.277 186 H SER 21 H SER 21 2.940 1.386 -3.426 187 HA SER 21 HA SER 21 5.116 3.181 -4.058 188 1HB SER 21 1HB SER 21 2.640 3.593 -3.238 189 2HB SER 21 2HB SER 21 3.377 3.504 -1.638 190 HG SER 21 HG SER 21 3.723 5.582 -2.144 191 H ILE 22 H ILE 22 4.676 0.769 -1.511 192 HA ILE 22 HA ILE 22 6.495 1.798 0.417 193 HB ILE 22 HB ILE 22 4.824 -0.120 0.615 194 1HG1 ILE 22 1HG1 ILE 22 7.592 -0.828 1.607 195 2HG1 ILE 22 2HG1 ILE 22 6.677 0.530 2.264 196 1HG2 ILE 22 1HG2 ILE 22 5.603 -1.396 -1.375 197 2HG2 ILE 22 2HG2 ILE 22 7.100 -1.764 -0.520 198 3HG2 ILE 22 3HG2 ILE 22 5.560 -2.367 0.095 199 1HD1 ILE 22 1HD1 ILE 22 4.781 -1.081 2.722 200 2HD1 ILE 22 2HD1 ILE 22 5.879 -2.390 2.284 201 3HD1 ILE 22 3HD1 ILE 22 6.238 -1.368 3.675 202 H LYS 23 H LYS 23 7.116 -0.206 -2.472 203 HA LYS 23 HA LYS 23 9.916 -0.678 -2.041 204 1HB LYS 23 1HB LYS 23 8.345 -1.775 -3.706 205 2HB LYS 23 2HB LYS 23 8.419 -0.294 -4.661 206 1HG LYS 23 1HG LYS 23 11.047 -0.715 -4.417 207 2HG LYS 23 2HG LYS 23 10.512 -2.382 -4.220 208 1HD LYS 23 1HD LYS 23 9.421 -0.735 -6.488 209 2HD LYS 23 2HD LYS 23 11.021 -1.450 -6.624 210 1HE LYS 23 1HE LYS 23 9.796 -3.213 -7.472 211 2HE LYS 23 2HE LYS 23 9.672 -3.629 -5.755 212 1HZ LYS 23 1HZ LYS 23 7.734 -1.838 -7.125 213 2HZ LYS 23 2HZ LYS 23 7.497 -3.514 -6.966 214 3HZ LYS 23 3HZ LYS 23 7.597 -2.542 -5.584 215 H THR 24 H THR 24 8.101 2.014 -3.516 216 HA THR 24 HA THR 24 10.387 3.512 -4.457 217 HB THR 24 HB THR 24 7.669 4.556 -3.561 218 HG1 THR 24 HG1 THR 24 6.977 3.197 -5.023 219 1HG2 THR 24 1HG2 THR 24 9.653 6.094 -4.304 220 2HG2 THR 24 2HG2 THR 24 9.247 5.522 -5.923 221 3HG2 THR 24 3HG2 THR 24 8.042 6.374 -4.960 222 H LEU 25 H LEU 25 8.459 3.485 -1.468 223 HA LEU 25 HA LEU 25 9.748 5.609 -0.053 224 1HB LEU 25 1HB LEU 25 7.704 3.651 0.339 225 2HB LEU 25 2HB LEU 25 8.812 3.522 1.698 226 HG LEU 25 HG LEU 25 8.644 6.139 1.749 227 1HD1 LEU 25 1HD1 LEU 25 6.171 5.317 0.195 228 2HD1 LEU 25 2HD1 LEU 25 6.325 6.856 1.041 229 3HD1 LEU 25 3HD1 LEU 25 7.406 6.476 -0.297 230 1HD2 LEU 25 1HD2 LEU 25 7.754 4.429 3.424 231 2HD2 LEU 25 2HD2 LEU 25 6.878 5.957 3.362 232 3HD2 LEU 25 3HD2 LEU 25 6.212 4.528 2.573 233 H GLU 26 H GLU 26 10.190 2.054 0.358 234 HA GLU 26 HA GLU 26 12.461 2.202 2.054 235 1HB GLU 26 1HB GLU 26 12.781 -0.180 1.434 236 2HB GLU 26 2HB GLU 26 11.118 0.200 1.845 237 1HG GLU 26 1HG GLU 26 10.622 -0.886 -0.067 238 2HG GLU 26 2HG GLU 26 11.107 0.601 -0.856 239 H HIS 27 H HIS 27 12.308 2.214 -1.508 240 HA HIS 27 HA HIS 27 15.091 1.816 -2.023 241 1HB HIS 27 1HB HIS 27 13.205 1.735 -3.665 242 2HB HIS 27 2HB HIS 27 13.056 3.480 -3.541 243 HD1 HIS 27 HD1 HIS 27 16.596 2.613 -3.458 244 HD2 HIS 27 HD2 HIS 27 13.727 3.096 -6.446 245 HE1 HIS 27 HE1 HIS 27 17.862 2.931 -5.617 246 H LYS 28 H LYS 28 13.232 4.706 -1.112 247 HA LYS 28 HA LYS 28 15.471 6.562 -1.472 248 1HB LYS 28 1HB LYS 28 12.612 6.634 -0.795 249 2HB LYS 28 2HB LYS 28 13.563 7.754 0.174 250 1HG LYS 28 1HG LYS 28 13.290 9.130 -1.617 251 2HG LYS 28 2HG LYS 28 14.652 8.223 -2.268 252 1HD LYS 28 1HD LYS 28 11.875 7.165 -2.685 253 2HD LYS 28 2HD LYS 28 12.440 8.504 -3.681 254 1HE LYS 28 1HE LYS 28 14.117 7.231 -4.697 255 2HE LYS 28 2HE LYS 28 14.186 6.066 -3.363 256 1HZ LYS 28 1HZ LYS 28 11.821 6.423 -5.129 257 2HZ LYS 28 2HZ LYS 28 13.000 5.226 -5.349 258 3HZ LYS 28 3HZ LYS 28 12.042 5.227 -3.936 259 H ARG 29 H ARG 29 13.908 4.828 1.218 260 HA ARG 29 HA ARG 29 15.344 6.042 3.377 261 1HB ARG 29 1HB ARG 29 13.240 4.448 3.218 262 2HB ARG 29 2HB ARG 29 14.451 3.194 3.486 263 1HG ARG 29 1HG ARG 29 15.121 5.173 5.335 264 2HG ARG 29 2HG ARG 29 13.361 5.147 5.362 265 1HD ARG 29 1HD ARG 29 13.320 3.161 6.450 266 2HD ARG 29 2HD ARG 29 14.492 2.441 5.330 267 HE ARG 29 HE ARG 29 15.436 4.335 7.443 268 1HH1 ARG 29 1HH2 ARG 29 14.922 1.322 8.086 269 2HH1 ARG 29 2HH2 ARG 29 16.532 0.707 7.956 270 1HH2 ARG 29 1HH1 ARG 29 17.734 3.552 6.300 271 2HH2 ARG 29 2HH1 ARG 29 18.157 1.995 6.927 272 H GLU 30 H GLU 30 16.506 3.752 1.003 273 HA GLU 30 HA GLU 30 18.566 2.614 2.761 274 1HB GLU 30 1HB GLU 30 17.272 1.606 0.695 275 2HB GLU 30 2HB GLU 30 18.560 2.383 -0.229 276 1HG GLU 30 1HG GLU 30 19.764 1.056 2.001 277 2HG GLU 30 2HG GLU 30 18.668 -0.080 1.222 278 H ASN 31 H ASN 31 18.446 5.076 0.155 279 HA ASN 31 HA ASN 31 21.352 5.647 0.584 280 1HB ASN 31 1HB ASN 31 20.101 5.112 -1.681 281 2HB ASN 31 2HB ASN 31 19.652 6.812 -1.600 282 1HD2 ASN 31 2HD2 ASN 31 21.667 8.356 -1.199 283 2HD2 ASN 31 1HD2 ASN 31 23.093 7.922 -2.014 284 H ALA 32 H ALA 32 19.653 6.550 2.650 285 HA ALA 32 HA ALA 32 19.151 9.441 2.127 286 1HB ALA 32 1HB ALA 32 17.571 7.614 3.201 287 2HB ALA 32 2HB ALA 32 18.476 7.994 4.666 288 3HB ALA 32 3HB ALA 32 17.581 9.262 3.828 289 H LYS 33 H LYS 33 19.420 10.250 4.881 290 HA LYS 33 HA LYS 33 22.395 10.256 5.149 291 1HB LYS 33 1HB LYS 33 22.106 12.430 6.198 292 2HB LYS 33 2HB LYS 33 21.247 12.412 4.666 293 1HG LYS 33 1HG LYS 33 19.140 11.863 6.001 294 2HG LYS 33 2HG LYS 33 20.077 12.207 7.452 295 1HD LYS 33 1HD LYS 33 20.415 14.475 6.834 296 2HD LYS 33 2HD LYS 33 19.882 14.188 5.178 297 1HE LYS 33 1HE LYS 33 17.981 13.667 7.458 298 2HE LYS 33 2HE LYS 33 18.215 15.317 6.862 299 1HZ LYS 33 1HZ LYS 33 17.792 13.157 4.902 300 2HZ LYS 33 2HZ LYS 33 16.457 13.773 5.746 301 3HZ LYS 33 3HZ LYS 33 17.401 14.809 4.800 302 H GLU 34 H GLU 34 21.062 8.014 6.151 303 HA GLU 34 HA GLU 34 20.793 8.397 9.087 304 1HB GLU 34 1HB GLU 34 19.854 6.483 7.014 305 2HB GLU 34 2HB GLU 34 20.216 5.786 8.587 306 1HG GLU 34 1HG GLU 34 18.414 6.739 9.559 307 2HG GLU 34 2HG GLU 34 18.682 8.284 8.763 Start of MODEL 11 1 1H CYS 1 1H CYS 1 -22.186 7.818 -6.464 2 2H CYS 1 2H CYS 1 -22.644 9.284 -5.750 3 3H CYS 1 3H CYS 1 -23.064 8.958 -7.357 4 HA CYS 1 HA CYS 1 -20.893 9.212 -8.150 5 1HB CYS 1 1HB CYS 1 -21.595 11.193 -5.984 6 2HB CYS 1 2HB CYS 1 -20.226 11.424 -7.068 7 HG CYS 1 HG CYS 1 -21.796 11.759 -9.030 8 H ALA 2 H ALA 2 -20.813 9.145 -4.552 9 HA ALA 2 HA ALA 2 -17.903 8.797 -4.530 10 1HB ALA 2 1HB ALA 2 -20.019 8.755 -2.362 11 2HB ALA 2 2HB ALA 2 -18.282 8.711 -2.063 12 3HB ALA 2 3HB ALA 2 -19.010 10.128 -2.819 13 H VAL 3 H VAL 3 -17.038 6.970 -3.077 14 HA VAL 3 HA VAL 3 -16.466 4.742 -2.933 15 HB VAL 3 HB VAL 3 -18.026 3.426 -1.803 16 1HG1 VAL 3 1HG1 VAL 3 -17.348 5.490 -0.597 17 2HG1 VAL 3 2HG1 VAL 3 -18.816 6.280 -1.176 18 3HG1 VAL 3 3HG1 VAL 3 -18.929 4.891 -0.094 19 1HG2 VAL 3 1HG2 VAL 3 -19.867 3.817 -3.583 20 2HG2 VAL 3 2HG2 VAL 3 -20.374 3.554 -1.919 21 3HG2 VAL 3 3HG2 VAL 3 -20.342 5.188 -2.584 22 H GLU 4 H GLU 4 -17.601 5.607 -5.724 23 HA GLU 4 HA GLU 4 -17.907 4.630 -7.784 24 1HB GLU 4 1HB GLU 4 -16.098 3.028 -6.324 25 2HB GLU 4 2HB GLU 4 -17.185 1.907 -7.143 26 1HG GLU 4 1HG GLU 4 -15.633 2.237 -8.817 27 2HG GLU 4 2HG GLU 4 -16.761 3.536 -9.200 28 H LEU 5 H LEU 5 -20.048 4.365 -5.562 29 HA LEU 5 HA LEU 5 -22.164 3.506 -5.290 30 1HB LEU 5 1HB LEU 5 -21.692 3.134 -8.247 31 2HB LEU 5 2HB LEU 5 -23.244 2.819 -7.495 32 HG LEU 5 HG LEU 5 -23.384 5.027 -8.323 33 1HD1 LEU 5 1HD1 LEU 5 -23.982 4.643 -5.818 34 2HD1 LEU 5 2HD1 LEU 5 -22.569 5.648 -5.502 35 3HD1 LEU 5 3HD1 LEU 5 -23.916 6.289 -6.442 36 1HD2 LEU 5 1HD2 LEU 5 -20.740 5.155 -8.410 37 2HD2 LEU 5 2HD2 LEU 5 -21.704 6.628 -8.330 38 3HD2 LEU 5 3HD2 LEU 5 -20.943 5.992 -6.874 39 H ARG 6 H ARG 6 -19.669 1.456 -5.457 40 HA ARG 6 HA ARG 6 -21.051 -0.847 -4.469 41 1HB ARG 6 1HB ARG 6 -21.452 -0.659 -7.091 42 2HB ARG 6 2HB ARG 6 -19.832 -1.340 -7.160 43 1HG ARG 6 1HG ARG 6 -20.822 -3.355 -6.950 44 2HG ARG 6 2HG ARG 6 -21.079 -2.931 -5.261 45 1HD ARG 6 1HD ARG 6 -23.115 -1.766 -7.033 46 2HD ARG 6 2HD ARG 6 -23.091 -3.537 -7.071 47 HE ARG 6 HE ARG 6 -23.472 -3.569 -4.672 48 1HH1 ARG 6 1HH2 ARG 6 -25.333 -1.375 -6.002 49 2HH1 ARG 6 2HH2 ARG 6 -25.313 -0.189 -4.745 50 1HH2 ARG 6 1HH1 ARG 6 -22.625 -1.660 -3.070 51 2HH2 ARG 6 2HH1 ARG 6 -23.754 -0.352 -3.061 52 H SER 7 H SER 7 -18.690 0.773 -3.757 53 HA SER 7 HA SER 7 -16.613 -1.369 -3.693 54 1HB SER 7 1HB SER 7 -16.574 0.897 -5.366 55 2HB SER 7 2HB SER 7 -15.478 1.277 -4.048 56 HG SER 7 HG SER 7 -15.074 -0.322 -6.123 57 HA PRO 8 HA PRO 8 -16.189 0.058 0.481 58 1HB PRO 8 1HB PRO 8 -13.674 -0.809 1.053 59 2HB PRO 8 2HB PRO 8 -15.064 -1.893 0.861 60 1HG PRO 8 1HG PRO 8 -12.802 -1.410 -0.939 61 2HG PRO 8 2HG PRO 8 -13.833 -2.836 -0.768 62 1HD PRO 8 1HD PRO 8 -13.978 -0.878 -2.775 63 2HD PRO 8 2HD PRO 8 -15.143 -2.179 -2.460 64 H GLY 9 H GLY 9 -15.844 2.265 -1.224 65 1HA GLY 9 1HA GLY 9 -14.924 4.390 -1.367 66 2HA GLY 9 2HA GLY 9 -14.448 4.156 0.312 67 H ILE 10 H ILE 10 -13.286 2.218 -2.421 68 HA ILE 10 HA ILE 10 -11.198 1.789 -3.246 69 HB ILE 10 HB ILE 10 -11.229 4.753 -2.761 70 1HG1 ILE 10 1HG1 ILE 10 -11.190 4.881 -5.096 71 2HG1 ILE 10 2HG1 ILE 10 -10.363 3.340 -5.268 72 1HG2 ILE 10 1HG2 ILE 10 -8.761 3.108 -3.242 73 2HG2 ILE 10 2HG2 ILE 10 -8.899 4.715 -3.961 74 3HG2 ILE 10 3HG2 ILE 10 -8.971 4.519 -2.206 75 1HD1 ILE 10 1HD1 ILE 10 -13.210 3.585 -4.274 76 2HD1 ILE 10 2HD1 ILE 10 -12.791 3.334 -5.970 77 3HD1 ILE 10 3HD1 ILE 10 -12.367 2.117 -4.767 78 H SER 11 H SER 11 -10.729 0.305 -1.815 79 HA SER 11 HA SER 11 -8.641 0.940 0.142 80 1HB SER 11 1HB SER 11 -11.264 0.737 0.953 81 2HB SER 11 2HB SER 11 -10.686 -0.903 1.212 82 HG SER 11 HG SER 11 -10.383 0.786 2.943 83 H ARG 12 H ARG 12 -10.674 -1.760 -1.065 84 HA ARG 12 HA ARG 12 -8.648 -3.798 -0.787 85 1HB ARG 12 1HB ARG 12 -11.281 -3.862 -1.171 86 2HB ARG 12 2HB ARG 12 -10.814 -3.907 -2.870 87 1HG ARG 12 1HG ARG 12 -9.129 -5.783 -1.890 88 2HG ARG 12 2HG ARG 12 -10.466 -5.960 -0.754 89 1HD ARG 12 1HD ARG 12 -12.036 -6.379 -2.546 90 2HD ARG 12 2HD ARG 12 -10.816 -5.988 -3.773 91 HE ARG 12 HE ARG 12 -9.533 -7.962 -2.447 92 1HH1 ARG 12 1HH1 ARG 12 -11.975 -9.036 -1.232 93 2HH1 ARG 12 2HH1 ARG 12 -12.572 -10.136 -2.424 94 1HH2 ARG 12 1HH2 ARG 12 -10.635 -8.775 -4.995 95 2HH2 ARG 12 2HH2 ARG 12 -11.801 -9.986 -4.591 96 H PHE 13 H PHE 13 -9.246 -1.304 -3.163 97 HA PHE 13 HA PHE 13 -7.479 -2.513 -5.203 98 1HB PHE 13 1HB PHE 13 -9.262 -1.673 -6.333 99 2HB PHE 13 2HB PHE 13 -9.720 -0.613 -5.020 100 HD1 PHE 13 HD1 PHE 13 -7.492 -0.959 -7.987 101 HD2 PHE 13 HD2 PHE 13 -9.121 1.693 -5.025 102 HE1 PHE 13 HE1 PHE 13 -6.642 0.991 -9.261 103 HE2 PHE 13 HE2 PHE 13 -8.270 3.640 -6.298 104 HZ PHE 13 HZ PHE 13 -7.032 3.292 -8.414 105 H ARG 14 H ARG 14 -7.656 0.429 -3.088 106 HA ARG 14 HA ARG 14 -5.218 1.554 -4.093 107 1HB ARG 14 1HB ARG 14 -5.223 2.886 -1.967 108 2HB ARG 14 2HB ARG 14 -6.700 2.986 -2.907 109 1HG ARG 14 1HG ARG 14 -7.540 2.697 -0.768 110 2HG ARG 14 2HG ARG 14 -7.495 1.036 -1.327 111 1HD ARG 14 1HD ARG 14 -6.371 0.654 0.617 112 2HD ARG 14 2HD ARG 14 -4.970 1.335 -0.231 113 HE ARG 14 HE ARG 14 -6.736 2.833 1.638 114 1HH1 ARG 14 1HH2 ARG 14 -3.876 2.596 2.279 115 2HH1 ARG 14 2HH2 ARG 14 -3.199 4.066 1.668 116 1HH2 ARG 14 1HH1 ARG 14 -5.979 4.740 -0.358 117 2HH2 ARG 14 2HH1 ARG 14 -4.420 5.312 0.133 118 H ARG 15 H ARG 15 -5.720 -0.966 -1.674 119 HA ARG 15 HA ARG 15 -3.190 -0.843 -0.361 120 1HB ARG 15 1HB ARG 15 -5.314 -2.215 0.159 121 2HB ARG 15 2HB ARG 15 -4.686 -3.385 -1.004 122 1HG ARG 15 1HG ARG 15 -2.949 -4.021 0.347 123 2HG ARG 15 2HG ARG 15 -2.767 -2.416 1.052 124 1HD ARG 15 1HD ARG 15 -5.245 -3.139 2.003 125 2HD ARG 15 2HD ARG 15 -4.390 -4.694 1.993 126 HE ARG 15 HE ARG 15 -3.598 -2.312 3.560 127 1HH1 ARG 15 1HH1 ARG 15 -1.142 -3.469 2.375 128 2HH1 ARG 15 2HH1 ARG 15 -0.675 -4.667 3.532 129 1HH2 ARG 15 1HH2 ARG 15 -3.807 -4.724 5.086 130 2HH2 ARG 15 2HH2 ARG 15 -2.211 -5.387 5.094 131 H LYS 16 H LYS 16 -4.152 -2.514 -3.382 132 HA LYS 16 HA LYS 16 -1.594 -3.796 -3.806 133 1HB LYS 16 1HB LYS 16 -3.914 -4.344 -4.788 134 2HB LYS 16 2HB LYS 16 -3.625 -3.025 -5.921 135 1HG LYS 16 1HG LYS 16 -1.412 -4.979 -5.657 136 2HG LYS 16 2HG LYS 16 -2.890 -5.607 -6.381 137 1HD LYS 16 1HD LYS 16 -2.381 -4.600 -8.322 138 2HD LYS 16 2HD LYS 16 -2.408 -3.034 -7.521 139 1HE LYS 16 1HE LYS 16 -0.223 -3.212 -8.462 140 2HE LYS 16 2HE LYS 16 -0.004 -3.571 -6.743 141 1HZ LYS 16 1HZ LYS 16 -0.585 -5.738 -8.675 142 2HZ LYS 16 2HZ LYS 16 0.996 -5.178 -8.443 143 3HZ LYS 16 3HZ LYS 16 0.131 -5.844 -7.142 144 H ILE 17 H ILE 17 -3.059 -0.818 -5.154 145 HA ILE 17 HA ILE 17 -0.797 -0.021 -6.726 146 HB ILE 17 HB ILE 17 -3.245 1.291 -5.547 147 1HG1 ILE 17 1HG1 ILE 17 -3.279 1.842 -8.172 148 2HG1 ILE 17 2HG1 ILE 17 -2.222 0.432 -8.216 149 1HG2 ILE 17 1HG2 ILE 17 -0.999 2.754 -6.963 150 2HG2 ILE 17 2HG2 ILE 17 -2.628 3.399 -6.761 151 3HG2 ILE 17 3HG2 ILE 17 -1.623 3.080 -5.347 152 1HD1 ILE 17 1HD1 ILE 17 -4.934 0.494 -6.864 153 2HD1 ILE 17 2HD1 ILE 17 -4.645 -0.130 -8.487 154 3HD1 ILE 17 3HD1 ILE 17 -3.906 -0.920 -7.096 155 H ALA 18 H ALA 18 -1.630 0.417 -3.308 156 HA ALA 18 HA ALA 18 0.536 2.249 -2.690 157 1HB ALA 18 1HB ALA 18 -1.588 2.044 -1.400 158 2HB ALA 18 2HB ALA 18 -1.108 0.421 -0.906 159 3HB ALA 18 3HB ALA 18 -0.171 1.819 -0.376 160 H LYS 19 H LYS 19 0.123 -1.343 -2.356 161 HA LYS 19 HA LYS 19 2.629 -1.751 -1.051 162 1HB LYS 19 1HB LYS 19 2.233 -4.035 -1.389 163 2HB LYS 19 2HB LYS 19 0.632 -3.330 -1.331 164 1HG LYS 19 1HG LYS 19 0.161 -4.054 -3.412 165 2HG LYS 19 2HG LYS 19 1.655 -3.400 -4.066 166 1HD LYS 19 1HD LYS 19 2.106 -5.623 -4.396 167 2HD LYS 19 2HD LYS 19 2.682 -5.500 -2.736 168 1HE LYS 19 1HE LYS 19 0.644 -6.423 -1.862 169 2HE LYS 19 2HE LYS 19 -0.171 -6.279 -3.428 170 1HZ LYS 19 1HZ LYS 19 2.270 -7.928 -2.985 171 2HZ LYS 19 2HZ LYS 19 0.695 -8.543 -2.957 172 3HZ LYS 19 3HZ LYS 19 1.306 -7.867 -4.386 173 H ARG 20 H ARG 20 1.967 -1.003 -4.374 174 HA ARG 20 HA ARG 20 4.531 -1.975 -5.427 175 1HB ARG 20 1HB ARG 20 2.083 -1.555 -6.495 176 2HB ARG 20 2HB ARG 20 2.824 -0.004 -6.873 177 1HG ARG 20 1HG ARG 20 4.783 -1.329 -7.845 178 2HG ARG 20 2HG ARG 20 3.754 -2.755 -7.716 179 1HD ARG 20 1HD ARG 20 2.674 -2.194 -9.616 180 2HD ARG 20 2HD ARG 20 2.250 -0.609 -8.945 181 HE ARG 20 HE ARG 20 4.590 -1.194 -10.642 182 1HH1 ARG 20 1HH2 ARG 20 2.490 1.174 -10.527 183 2HH1 ARG 20 2HH2 ARG 20 3.562 2.478 -10.153 184 1HH2 ARG 20 1HH1 ARG 20 6.200 0.371 -9.264 185 2HH2 ARG 20 2HH1 ARG 20 5.696 2.017 -9.423 186 H SER 21 H SER 21 3.197 1.095 -4.191 187 HA SER 21 HA SER 21 5.653 2.547 -5.030 188 1HB SER 21 1HB SER 21 2.864 3.198 -4.452 189 2HB SER 21 2HB SER 21 3.981 4.274 -3.617 190 HG SER 21 HG SER 21 3.418 4.029 -6.286 191 H ILE 22 H ILE 22 3.980 1.454 -2.085 192 HA ILE 22 HA ILE 22 5.458 2.825 -0.110 193 HB ILE 22 HB ILE 22 4.051 0.158 -0.234 194 1HG1 ILE 22 1HG1 ILE 22 3.457 2.630 1.408 195 2HG1 ILE 22 2HG1 ILE 22 2.860 2.419 -0.237 196 1HG2 ILE 22 1HG2 ILE 22 5.607 1.310 2.084 197 2HG2 ILE 22 2HG2 ILE 22 4.221 0.252 2.344 198 3HG2 ILE 22 3HG2 ILE 22 5.625 -0.338 1.458 199 1HD1 ILE 22 1HD1 ILE 22 2.317 0.544 2.084 200 2HD1 ILE 22 2HD1 ILE 22 1.172 1.704 1.413 201 3HD1 ILE 22 3HD1 ILE 22 1.719 0.339 0.438 202 H LYS 23 H LYS 23 6.391 -0.074 -1.972 203 HA LYS 23 HA LYS 23 8.645 -0.879 -0.428 204 1HB LYS 23 1HB LYS 23 7.789 -1.128 -3.301 205 2HB LYS 23 2HB LYS 23 9.406 -1.657 -2.840 206 1HG LYS 23 1HG LYS 23 8.456 -3.130 -1.116 207 2HG LYS 23 2HG LYS 23 6.829 -2.600 -1.548 208 1HD LYS 23 1HD LYS 23 7.420 -3.385 -3.943 209 2HD LYS 23 2HD LYS 23 8.755 -4.251 -3.186 210 1HE LYS 23 1HE LYS 23 6.036 -4.590 -1.975 211 2HE LYS 23 2HE LYS 23 6.369 -5.416 -3.508 212 1HZ LYS 23 1HZ LYS 23 8.439 -6.277 -2.511 213 2HZ LYS 23 2HZ LYS 23 7.991 -5.598 -1.019 214 3HZ LYS 23 3HZ LYS 23 7.053 -6.828 -1.705 215 H THR 24 H THR 24 8.618 1.290 -3.338 216 HA THR 24 HA THR 24 11.388 2.046 -3.021 217 HB THR 24 HB THR 24 9.063 3.433 -4.409 218 HG1 THR 24 HG1 THR 24 11.163 1.869 -5.524 219 1HG2 THR 24 1HG2 THR 24 12.048 3.911 -4.606 220 2HG2 THR 24 2HG2 THR 24 10.861 4.559 -5.738 221 3HG2 THR 24 3HG2 THR 24 10.826 5.054 -4.047 222 H LEU 25 H LEU 25 8.395 3.185 -1.572 223 HA LEU 25 HA LEU 25 9.405 5.667 -0.458 224 1HB LEU 25 1HB LEU 25 6.937 4.153 -0.615 225 2HB LEU 25 2HB LEU 25 7.196 4.738 1.025 226 HG LEU 25 HG LEU 25 7.752 7.012 -0.076 227 1HD1 LEU 25 1HD1 LEU 25 6.347 5.583 -2.352 228 2HD1 LEU 25 2HD1 LEU 25 6.556 7.332 -2.261 229 3HD1 LEU 25 3HD1 LEU 25 7.967 6.280 -2.376 230 1HD2 LEU 25 1HD2 LEU 25 5.683 6.529 1.215 231 2HD2 LEU 25 2HD2 LEU 25 5.366 7.615 -0.136 232 3HD2 LEU 25 3HD2 LEU 25 4.924 5.912 -0.252 233 H GLU 26 H GLU 26 9.930 2.382 0.385 234 HA GLU 26 HA GLU 26 10.549 3.007 3.243 235 1HB GLU 26 1HB GLU 26 9.723 0.543 1.694 236 2HB GLU 26 2HB GLU 26 10.530 0.392 3.249 237 1HG GLU 26 1HG GLU 26 8.736 1.821 4.255 238 2HG GLU 26 2HG GLU 26 7.906 1.808 2.701 239 H HIS 27 H HIS 27 11.639 0.969 0.499 240 HA HIS 27 HA HIS 27 14.277 0.460 1.454 241 1HB HIS 27 1HB HIS 27 13.083 -0.885 -0.215 242 2HB HIS 27 2HB HIS 27 13.125 0.454 -1.354 243 HD1 HIS 27 HD1 HIS 27 15.499 -1.882 0.492 244 HD2 HIS 27 HD2 HIS 27 15.465 0.609 -2.853 245 HE1 HIS 27 HE1 HIS 27 17.684 -2.278 -0.719 246 H LYS 28 H LYS 28 13.523 2.615 -1.378 247 HA LYS 28 HA LYS 28 16.077 4.026 -0.823 248 1HB LYS 28 1HB LYS 28 15.117 3.245 -3.129 249 2HB LYS 28 2HB LYS 28 14.107 4.685 -3.021 250 1HG LYS 28 1HG LYS 28 15.944 5.582 -4.109 251 2HG LYS 28 2HG LYS 28 16.418 5.857 -2.439 252 1HD LYS 28 1HD LYS 28 18.307 4.736 -2.944 253 2HD LYS 28 2HD LYS 28 17.320 3.281 -2.888 254 1HE LYS 28 1HE LYS 28 17.864 4.941 -5.378 255 2HE LYS 28 2HE LYS 28 18.608 3.380 -4.997 256 1HZ LYS 28 1HZ LYS 28 16.232 2.525 -4.776 257 2HZ LYS 28 2HZ LYS 28 15.758 3.953 -5.574 258 3HZ LYS 28 3HZ LYS 28 16.787 2.856 -6.343 259 H ARG 29 H ARG 29 14.723 4.544 1.297 260 HA ARG 29 HA ARG 29 13.923 7.371 1.110 261 1HB ARG 29 1HB ARG 29 12.007 5.480 0.761 262 2HB ARG 29 2HB ARG 29 11.965 5.635 2.510 263 1HG ARG 29 1HG ARG 29 10.358 7.162 1.461 264 2HG ARG 29 2HG ARG 29 11.616 8.057 2.301 265 1HD ARG 29 1HD ARG 29 11.221 9.129 0.164 266 2HD ARG 29 2HD ARG 29 12.796 8.336 0.079 267 HE ARG 29 HE ARG 29 11.160 6.378 -0.922 268 1HH1 ARG 29 1HH1 ARG 29 9.129 8.495 -1.578 269 2HH1 ARG 29 2HH1 ARG 29 9.618 9.006 -3.160 270 1HH2 ARG 29 1HH2 ARG 29 12.789 7.574 -2.931 271 2HH2 ARG 29 2HH2 ARG 29 11.702 8.475 -3.927 272 H GLU 30 H GLU 30 14.045 4.522 3.323 273 HA GLU 30 HA GLU 30 14.311 5.943 5.771 274 1HB GLU 30 1HB GLU 30 15.425 3.268 4.863 275 2HB GLU 30 2HB GLU 30 15.381 3.798 6.542 276 1HG GLU 30 1HG GLU 30 12.897 3.647 4.818 277 2HG GLU 30 2HG GLU 30 13.459 2.298 5.797 278 H ASN 31 H ASN 31 16.735 5.000 3.359 279 HA ASN 31 HA ASN 31 18.799 6.659 4.766 280 1HB ASN 31 1HB ASN 31 18.737 3.905 4.081 281 2HB ASN 31 2HB ASN 31 19.890 4.669 2.991 282 1HD2 ASN 31 2HD2 ASN 31 21.609 6.093 4.091 283 2HD2 ASN 31 1HD2 ASN 31 22.129 5.634 5.640 284 H ALA 32 H ALA 32 16.764 7.169 2.349 285 HA ALA 32 HA ALA 32 18.789 8.500 0.630 286 1HB ALA 32 1HB ALA 32 16.854 6.336 -0.166 287 2HB ALA 32 2HB ALA 32 17.482 7.485 -1.348 288 3HB ALA 32 3HB ALA 32 18.590 6.431 -0.468 289 H LYS 33 H LYS 33 18.011 10.386 -0.319 290 HA LYS 33 HA LYS 33 15.210 11.195 0.350 291 1HB LYS 33 1HB LYS 33 16.066 13.450 0.390 292 2HB LYS 33 2HB LYS 33 17.121 12.434 1.358 293 1HG LYS 33 1HG LYS 33 18.225 12.334 -1.222 294 2HG LYS 33 2HG LYS 33 17.731 14.012 -1.014 295 1HD LYS 33 1HD LYS 33 18.966 13.088 1.418 296 2HD LYS 33 2HD LYS 33 20.029 12.733 0.062 297 1HE LYS 33 1HE LYS 33 18.780 15.443 0.075 298 2HE LYS 33 2HE LYS 33 20.026 15.136 1.295 299 1HZ LYS 33 1HZ LYS 33 21.497 14.319 -0.447 300 2HZ LYS 33 2HZ LYS 33 20.315 14.624 -1.622 301 3HZ LYS 33 3HZ LYS 33 21.015 15.914 -0.768 302 H GLU 34 H GLU 34 14.664 13.195 -1.331 303 HA GLU 34 HA GLU 34 14.941 12.058 -4.090 304 1HB GLU 34 1HB GLU 34 12.662 12.476 -2.474 305 2HB GLU 34 2HB GLU 34 12.625 13.756 -3.683 306 1HG GLU 34 1HG GLU 34 12.829 12.116 -5.481 307 2HG GLU 34 2HG GLU 34 12.970 10.811 -4.308 Start of MODEL 12 1 1H CYS 1 1H CYS 1 -25.344 -1.116 9.625 2 2H CYS 1 2H CYS 1 -26.225 0.011 8.713 3 3H CYS 1 3H CYS 1 -26.882 -1.520 9.049 4 HA CYS 1 HA CYS 1 -25.296 -2.616 7.656 5 1HB CYS 1 1HB CYS 1 -27.382 -1.343 6.780 6 2HB CYS 1 2HB CYS 1 -26.225 -0.174 6.146 7 HG CYS 1 HG CYS 1 -26.859 -2.758 4.828 8 H ALA 2 H ALA 2 -23.209 -2.652 6.846 9 HA ALA 2 HA ALA 2 -21.579 -0.153 7.093 10 1HB ALA 2 1HB ALA 2 -21.029 -2.099 8.518 11 2HB ALA 2 2HB ALA 2 -20.777 -3.072 7.068 12 3HB ALA 2 3HB ALA 2 -19.718 -1.704 7.407 13 H VAL 3 H VAL 3 -23.230 -1.064 4.631 14 HA VAL 3 HA VAL 3 -21.525 -1.996 2.566 15 HB VAL 3 HB VAL 3 -23.968 -1.928 2.414 16 1HG1 VAL 3 1HG1 VAL 3 -24.160 0.405 3.524 17 2HG1 VAL 3 2HG1 VAL 3 -23.837 1.044 1.914 18 3HG1 VAL 3 3HG1 VAL 3 -25.256 0.039 2.193 19 1HG2 VAL 3 1HG2 VAL 3 -22.482 -1.873 0.367 20 2HG2 VAL 3 2HG2 VAL 3 -24.131 -1.293 0.118 21 3HG2 VAL 3 3HG2 VAL 3 -22.805 -0.141 0.277 22 H GLU 4 H GLU 4 -22.172 1.352 3.611 23 HA GLU 4 HA GLU 4 -20.060 2.340 1.758 24 1HB GLU 4 1HB GLU 4 -22.329 3.615 3.301 25 2HB GLU 4 2HB GLU 4 -21.087 4.575 2.498 26 1HG GLU 4 1HG GLU 4 -21.759 3.952 0.379 27 2HG GLU 4 2HG GLU 4 -22.419 2.412 0.920 28 H LEU 5 H LEU 5 -19.884 0.994 4.656 29 HA LEU 5 HA LEU 5 -18.307 3.081 6.065 30 1HB LEU 5 1HB LEU 5 -20.066 1.879 7.271 31 2HB LEU 5 2HB LEU 5 -19.346 0.336 6.829 32 HG LEU 5 HG LEU 5 -17.281 1.002 8.091 33 1HD1 LEU 5 1HD1 LEU 5 -19.044 3.330 8.913 34 2HD1 LEU 5 2HD1 LEU 5 -17.542 2.886 9.725 35 3HD1 LEU 5 3HD1 LEU 5 -17.511 3.420 8.045 36 1HD2 LEU 5 1HD2 LEU 5 -19.943 0.898 9.536 37 2HD2 LEU 5 2HD2 LEU 5 -18.840 -0.441 9.213 38 3HD2 LEU 5 3HD2 LEU 5 -18.395 0.810 10.374 39 H ARG 6 H ARG 6 -17.987 -0.166 4.595 40 HA ARG 6 HA ARG 6 -15.089 0.221 4.286 41 1HB ARG 6 1HB ARG 6 -15.870 -0.706 6.663 42 2HB ARG 6 2HB ARG 6 -15.913 -2.232 5.783 43 1HG ARG 6 1HG ARG 6 -13.539 -1.547 4.947 44 2HG ARG 6 2HG ARG 6 -13.564 -0.426 6.310 45 1HD ARG 6 1HD ARG 6 -14.089 -2.346 7.830 46 2HD ARG 6 2HD ARG 6 -13.880 -3.447 6.457 47 HE ARG 6 HE ARG 6 -11.732 -2.115 7.886 48 1HH1 ARG 6 1HH2 ARG 6 -11.688 -4.776 6.325 49 2HH1 ARG 6 2HH2 ARG 6 -10.584 -4.385 5.052 50 1HH2 ARG 6 1HH1 ARG 6 -10.768 -0.947 5.602 51 2HH2 ARG 6 2HH1 ARG 6 -10.051 -2.192 4.639 52 H SER 7 H SER 7 -16.616 0.045 2.122 53 HA SER 7 HA SER 7 -17.300 -2.649 1.282 54 1HB SER 7 1HB SER 7 -17.520 -1.475 -0.978 55 2HB SER 7 2HB SER 7 -18.517 -0.854 0.322 56 HG SER 7 HG SER 7 -17.534 0.989 0.025 57 HA PRO 8 HA PRO 8 -13.145 -3.720 0.072 58 1HB PRO 8 1HB PRO 8 -13.684 -6.181 -0.978 59 2HB PRO 8 2HB PRO 8 -13.634 -5.844 0.763 60 1HG PRO 8 1HG PRO 8 -15.945 -6.289 -0.997 61 2HG PRO 8 2HG PRO 8 -15.761 -6.590 0.736 62 1HD PRO 8 1HD PRO 8 -17.099 -4.437 -0.446 63 2HD PRO 8 2HD PRO 8 -16.653 -4.601 1.266 64 H GLY 9 H GLY 9 -13.984 -1.847 -1.654 65 1HA GLY 9 1HA GLY 9 -13.531 -2.992 -4.380 66 2HA GLY 9 2HA GLY 9 -14.657 -1.660 -4.099 67 H ILE 10 H ILE 10 -13.722 0.332 -3.101 68 HA ILE 10 HA ILE 10 -11.401 1.222 -4.529 69 HB ILE 10 HB ILE 10 -13.466 2.459 -3.666 70 1HG1 ILE 10 1HG1 ILE 10 -11.448 3.485 -4.751 71 2HG1 ILE 10 2HG1 ILE 10 -12.359 4.546 -3.688 72 1HG2 ILE 10 1HG2 ILE 10 -13.222 1.753 -1.280 73 2HG2 ILE 10 2HG2 ILE 10 -11.836 2.835 -1.157 74 3HG2 ILE 10 3HG2 ILE 10 -13.434 3.486 -1.517 75 1HD1 ILE 10 1HD1 ILE 10 -10.549 3.595 -1.914 76 2HD1 ILE 10 2HD1 ILE 10 -9.602 3.473 -3.396 77 3HD1 ILE 10 3HD1 ILE 10 -10.261 5.028 -2.894 78 H SER 11 H SER 11 -11.838 0.126 -1.152 79 HA SER 11 HA SER 11 -9.155 0.750 -0.305 80 1HB SER 11 1HB SER 11 -11.444 -0.906 0.708 81 2HB SER 11 2HB SER 11 -9.858 -1.128 1.436 82 HG SER 11 HG SER 11 -11.495 0.675 2.134 83 H ARG 12 H ARG 12 -10.668 -2.170 -1.661 84 HA ARG 12 HA ARG 12 -8.445 -3.956 -1.424 85 1HB ARG 12 1HB ARG 12 -10.947 -4.317 -2.022 86 2HB ARG 12 2HB ARG 12 -10.456 -3.956 -3.675 87 1HG ARG 12 1HG ARG 12 -9.073 -5.855 -3.813 88 2HG ARG 12 2HG ARG 12 -8.970 -6.024 -2.063 89 1HD ARG 12 1HD ARG 12 -10.480 -7.727 -2.616 90 2HD ARG 12 2HD ARG 12 -11.582 -6.397 -2.229 91 HE ARG 12 HE ARG 12 -10.888 -6.246 -5.011 92 1HH1 ARG 12 1HH1 ARG 12 -13.668 -6.086 -3.812 93 2HH1 ARG 12 2HH1 ARG 12 -14.419 -7.497 -4.481 94 1HH2 ARG 12 1HH2 ARG 12 -11.381 -8.960 -5.420 95 2HH2 ARG 12 2HH2 ARG 12 -13.098 -9.154 -5.409 96 H PHE 13 H PHE 13 -9.108 -1.337 -3.676 97 HA PHE 13 HA PHE 13 -6.937 -2.169 -5.506 98 1HB PHE 13 1HB PHE 13 -8.507 -1.471 -6.942 99 2HB PHE 13 2HB PHE 13 -9.490 -0.844 -5.643 100 HD1 PHE 13 HD1 PHE 13 -9.360 1.545 -5.024 101 HD2 PHE 13 HD2 PHE 13 -7.048 -0.058 -8.264 102 HE1 PHE 13 HE1 PHE 13 -8.928 3.840 -5.843 103 HE2 PHE 13 HE2 PHE 13 -6.612 2.240 -9.087 104 HZ PHE 13 HZ PHE 13 -7.552 4.190 -7.876 105 H ARG 14 H ARG 14 -7.762 0.495 -3.238 106 HA ARG 14 HA ARG 14 -5.441 2.079 -3.870 107 1HB ARG 14 1HB ARG 14 -6.137 3.443 -2.075 108 2HB ARG 14 2HB ARG 14 -7.626 2.765 -2.716 109 1HG ARG 14 1HG ARG 14 -7.524 1.012 -0.925 110 2HG ARG 14 2HG ARG 14 -6.125 1.837 -0.247 111 1HD ARG 14 1HD ARG 14 -8.417 3.631 -0.750 112 2HD ARG 14 2HD ARG 14 -8.725 2.388 0.474 113 HE ARG 14 HE ARG 14 -7.095 3.388 1.861 114 1HH1 ARG 14 1HH2 ARG 14 -7.818 5.935 0.359 115 2HH1 ARG 14 2HH2 ARG 14 -6.254 6.554 -0.045 116 1HH2 ARG 14 1HH1 ARG 14 -4.637 3.517 0.595 117 2HH2 ARG 14 2HH1 ARG 14 -4.421 5.158 0.092 118 H ARG 15 H ARG 15 -5.944 -0.616 -1.614 119 HA ARG 15 HA ARG 15 -3.530 -0.272 -0.082 120 1HB ARG 15 1HB ARG 15 -5.639 -1.766 0.301 121 2HB ARG 15 2HB ARG 15 -4.808 -2.931 -0.729 122 1HG ARG 15 1HG ARG 15 -4.080 -3.573 1.389 123 2HG ARG 15 2HG ARG 15 -2.778 -2.505 0.873 124 1HD ARG 15 1HD ARG 15 -3.548 -0.715 2.228 125 2HD ARG 15 2HD ARG 15 -5.141 -1.463 2.465 126 HE ARG 15 HE ARG 15 -2.599 -2.447 3.691 127 1HH1 ARG 15 1HH2 ARG 15 -4.708 -1.321 5.447 128 2HH1 ARG 15 2HH2 ARG 15 -5.564 -2.725 5.975 129 1HH2 ARG 15 1HH1 ARG 15 -4.259 -4.768 3.463 130 2HH2 ARG 15 2HH1 ARG 15 -5.308 -4.705 4.835 131 H LYS 16 H LYS 16 -4.275 -2.015 -3.100 132 HA LYS 16 HA LYS 16 -1.699 -3.252 -3.458 133 1HB LYS 16 1HB LYS 16 -3.745 -3.996 -4.592 134 2HB LYS 16 2HB LYS 16 -3.910 -2.432 -5.380 135 1HG LYS 16 1HG LYS 16 -1.304 -3.695 -5.877 136 2HG LYS 16 2HG LYS 16 -2.659 -4.658 -6.457 137 1HD LYS 16 1HD LYS 16 -3.156 -3.192 -8.110 138 2HD LYS 16 2HD LYS 16 -2.939 -1.796 -7.062 139 1HE LYS 16 1HE LYS 16 -1.093 -1.419 -8.362 140 2HE LYS 16 2HE LYS 16 -0.341 -2.642 -7.325 141 1HZ LYS 16 1HZ LYS 16 -1.165 -4.358 -8.888 142 2HZ LYS 16 2HZ LYS 16 -1.721 -3.130 -9.917 143 3HZ LYS 16 3HZ LYS 16 -0.061 -3.286 -9.601 144 H ILE 17 H ILE 17 -3.058 -0.115 -4.502 145 HA ILE 17 HA ILE 17 -0.783 0.742 -6.066 146 HB ILE 17 HB ILE 17 -2.897 2.325 -4.541 147 1HG1 ILE 17 1HG1 ILE 17 -2.808 1.704 -7.508 148 2HG1 ILE 17 2HG1 ILE 17 -3.700 0.709 -6.359 149 1HG2 ILE 17 1HG2 ILE 17 -0.849 3.639 -5.179 150 2HG2 ILE 17 2HG2 ILE 17 -1.169 3.230 -6.865 151 3HG2 ILE 17 3HG2 ILE 17 -2.326 4.202 -5.957 152 1HD1 ILE 17 1HD1 ILE 17 -4.249 3.590 -6.097 153 2HD1 ILE 17 2HD1 ILE 17 -4.715 2.913 -7.654 154 3HD1 ILE 17 3HD1 ILE 17 -5.368 2.229 -6.168 155 H ALA 18 H ALA 18 -1.790 1.246 -2.677 156 HA ALA 18 HA ALA 18 0.454 2.811 -1.831 157 1HB ALA 18 1HB ALA 18 -1.686 1.157 -0.525 158 2HB ALA 18 2HB ALA 18 -0.343 1.738 0.458 159 3HB ALA 18 3HB ALA 18 -1.373 2.889 -0.391 160 H LYS 19 H LYS 19 -0.076 -0.735 -1.951 161 HA LYS 19 HA LYS 19 2.240 -1.527 -0.474 162 1HB LYS 19 1HB LYS 19 0.311 -2.956 -1.150 163 2HB LYS 19 2HB LYS 19 0.866 -2.886 -2.820 164 1HG LYS 19 1HG LYS 19 3.013 -3.684 -1.010 165 2HG LYS 19 2HG LYS 19 1.625 -4.769 -0.899 166 1HD LYS 19 1HD LYS 19 1.631 -4.968 -3.388 167 2HD LYS 19 2HD LYS 19 3.103 -3.995 -3.429 168 1HE LYS 19 1HE LYS 19 4.212 -5.690 -1.946 169 2HE LYS 19 2HE LYS 19 2.763 -6.703 -2.092 170 1HZ LYS 19 1HZ LYS 19 3.002 -6.609 -4.515 171 2HZ LYS 19 2HZ LYS 19 4.437 -5.716 -4.343 172 3HZ LYS 19 3HZ LYS 19 4.354 -7.317 -3.783 173 H ARG 20 H ARG 20 1.820 -0.749 -3.938 174 HA ARG 20 HA ARG 20 4.605 -1.349 -4.609 175 1HB ARG 20 1HB ARG 20 2.651 -1.612 -6.140 176 2HB ARG 20 2HB ARG 20 2.459 0.139 -6.149 177 1HG ARG 20 1HG ARG 20 5.198 -0.767 -6.763 178 2HG ARG 20 2HG ARG 20 3.992 -1.278 -7.942 179 1HD ARG 20 1HD ARG 20 3.353 0.946 -8.440 180 2HD ARG 20 2HD ARG 20 4.127 1.590 -6.981 181 HE ARG 20 HE ARG 20 6.327 0.750 -8.079 182 1HH1 ARG 20 1HH2 ARG 20 5.385 3.404 -9.078 183 2HH1 ARG 20 2HH2 ARG 20 5.414 3.197 -10.794 184 1HH2 ARG 20 1HH1 ARG 20 5.565 -0.292 -10.599 185 2HH2 ARG 20 2HH1 ARG 20 5.517 1.064 -11.672 186 H SER 21 H SER 21 2.894 1.490 -3.410 187 HA SER 21 HA SER 21 5.072 3.306 -4.263 188 1HB SER 21 1HB SER 21 3.550 5.049 -3.646 189 2HB SER 21 2HB SER 21 2.622 3.823 -4.494 190 HG SER 21 HG SER 21 2.754 4.411 -1.721 191 H ILE 22 H ILE 22 4.727 1.233 -1.654 192 HA ILE 22 HA ILE 22 6.013 3.146 0.251 193 HB ILE 22 HB ILE 22 4.291 0.673 0.563 194 1HG1 ILE 22 1HG1 ILE 22 4.100 3.389 1.885 195 2HG1 ILE 22 2HG1 ILE 22 3.359 3.041 0.323 196 1HG2 ILE 22 1HG2 ILE 22 6.119 1.955 2.605 197 2HG2 ILE 22 2HG2 ILE 22 4.671 1.068 3.087 198 3HG2 ILE 22 3HG2 ILE 22 5.958 0.246 2.206 199 1HD1 ILE 22 1HD1 ILE 22 2.391 0.950 1.686 200 2HD1 ILE 22 2HD1 ILE 22 2.618 2.058 3.038 201 3HD1 ILE 22 3HD1 ILE 22 1.581 2.516 1.687 202 H LYS 23 H LYS 23 6.125 -0.365 -0.519 203 HA LYS 23 HA LYS 23 8.631 -1.025 0.542 204 1HB LYS 23 1HB LYS 23 6.834 -2.483 -0.500 205 2HB LYS 23 2HB LYS 23 7.501 -2.056 -2.073 206 1HG LYS 23 1HG LYS 23 9.699 -2.848 -0.472 207 2HG LYS 23 2HG LYS 23 8.424 -4.029 -0.178 208 1HD LYS 23 1HD LYS 23 8.280 -4.621 -2.464 209 2HD LYS 23 2HD LYS 23 9.158 -3.182 -2.982 210 1HE LYS 23 1HE LYS 23 11.185 -4.159 -2.656 211 2HE LYS 23 2HE LYS 23 10.691 -4.878 -1.115 212 1HZ LYS 23 1HZ LYS 23 9.695 -5.896 -3.726 213 2HZ LYS 23 2HZ LYS 23 11.106 -6.481 -2.997 214 3HZ LYS 23 3HZ LYS 23 9.615 -6.645 -2.202 215 H THR 24 H THR 24 8.060 -0.113 -2.882 216 HA THR 24 HA THR 24 10.777 0.041 -3.692 217 HB THR 24 HB THR 24 8.542 1.777 -4.755 218 HG1 THR 24 HG1 THR 24 7.506 0.056 -5.350 219 1HG2 THR 24 1HG2 THR 24 10.905 1.876 -5.689 220 2HG2 THR 24 2HG2 THR 24 10.659 0.218 -6.239 221 3HG2 THR 24 3HG2 THR 24 9.632 1.513 -6.853 222 H LEU 25 H LEU 25 8.663 2.508 -2.219 223 HA LEU 25 HA LEU 25 10.440 4.746 -2.511 224 1HB LEU 25 1HB LEU 25 7.863 4.379 -1.690 225 2HB LEU 25 2HB LEU 25 8.663 4.618 -0.135 226 HG LEU 25 HG LEU 25 9.830 6.621 -1.405 227 1HD1 LEU 25 1HD1 LEU 25 8.757 6.012 -3.587 228 2HD1 LEU 25 2HD1 LEU 25 7.187 6.390 -2.875 229 3HD1 LEU 25 3HD1 LEU 25 8.398 7.659 -3.070 230 1HD2 LEU 25 1HD2 LEU 25 7.348 6.342 0.131 231 2HD2 LEU 25 2HD2 LEU 25 8.642 7.526 0.299 232 3HD2 LEU 25 3HD2 LEU 25 7.356 7.788 -0.877 233 H GLU 26 H GLU 26 9.897 2.459 0.187 234 HA GLU 26 HA GLU 26 11.746 3.507 2.071 235 1HB GLU 26 1HB GLU 26 10.667 0.754 1.453 236 2HB GLU 26 2HB GLU 26 11.755 1.023 2.814 237 1HG GLU 26 1HG GLU 26 10.226 2.472 3.899 238 2HG GLU 26 2HG GLU 26 9.267 2.695 2.437 239 H HIS 27 H HIS 27 12.232 1.203 -0.599 240 HA HIS 27 HA HIS 27 14.919 0.446 -0.106 241 1HB HIS 27 1HB HIS 27 13.036 -0.246 -1.870 242 2HB HIS 27 2HB HIS 27 13.937 0.860 -2.902 243 HD1 HIS 27 HD1 HIS 27 14.239 -1.709 -4.053 244 HD2 HIS 27 HD2 HIS 27 16.520 -0.767 -0.693 245 HE1 HIS 27 HE1 HIS 27 16.183 -3.330 -4.030 246 H LYS 28 H LYS 28 13.650 3.229 -1.990 247 HA LYS 28 HA LYS 28 16.396 4.213 -2.460 248 1HB LYS 28 1HB LYS 28 15.323 5.822 -3.908 249 2HB LYS 28 2HB LYS 28 14.666 4.224 -4.221 250 1HG LYS 28 1HG LYS 28 12.588 4.757 -3.349 251 2HG LYS 28 2HG LYS 28 13.243 5.945 -2.227 252 1HD LYS 28 1HD LYS 28 12.134 7.255 -3.836 253 2HD LYS 28 2HD LYS 28 13.824 7.333 -4.333 254 1HE LYS 28 1HE LYS 28 13.480 5.695 -6.068 255 2HE LYS 28 2HE LYS 28 11.853 5.320 -5.471 256 1HZ LYS 28 1HZ LYS 28 11.223 7.640 -5.882 257 2HZ LYS 28 2HZ LYS 28 12.761 7.946 -6.533 258 3HZ LYS 28 3HZ LYS 28 11.713 6.853 -7.306 259 H ARG 29 H ARG 29 14.447 4.456 0.211 260 HA ARG 29 HA ARG 29 15.252 7.275 0.817 261 1HB ARG 29 1HB ARG 29 12.826 5.732 1.124 262 2HB ARG 29 2HB ARG 29 13.376 6.303 2.693 263 1HG ARG 29 1HG ARG 29 12.900 8.458 2.216 264 2HG ARG 29 2HG ARG 29 13.569 8.347 0.591 265 1HD ARG 29 1HD ARG 29 11.539 7.905 -0.352 266 2HD ARG 29 2HD ARG 29 11.031 6.861 0.987 267 HE ARG 29 HE ARG 29 10.233 8.780 2.167 268 1HH1 ARG 29 1HH1 ARG 29 12.499 10.647 1.576 269 2HH1 ARG 29 2HH1 ARG 29 11.745 11.840 0.578 270 1HH2 ARG 29 1HH2 ARG 29 8.968 9.848 -0.129 271 2HH2 ARG 29 2HH2 ARG 29 9.719 11.381 -0.401 272 H GLU 30 H GLU 30 15.010 4.009 2.267 273 HA GLU 30 HA GLU 30 16.146 4.445 4.792 274 1HB GLU 30 1HB GLU 30 15.031 2.419 4.103 275 2HB GLU 30 2HB GLU 30 16.272 2.092 2.901 276 1HG GLU 30 1HG GLU 30 17.786 2.278 5.178 277 2HG GLU 30 2HG GLU 30 16.285 1.609 5.817 278 H ASN 31 H ASN 31 17.988 3.356 1.878 279 HA ASN 31 HA ASN 31 20.533 3.789 3.273 280 1HB ASN 31 1HB ASN 31 19.557 2.419 0.914 281 2HB ASN 31 2HB ASN 31 20.972 3.390 0.510 282 1HD2 ASN 31 2HD2 ASN 31 19.864 0.878 2.870 283 2HD2 ASN 31 1HD2 ASN 31 21.427 0.279 3.151 284 H ALA 32 H ALA 32 19.235 5.142 0.209 285 HA ALA 32 HA ALA 32 19.538 7.194 -0.843 286 1HB ALA 32 1HB ALA 32 18.356 7.627 1.429 287 2HB ALA 32 2HB ALA 32 19.899 8.325 1.925 288 3HB ALA 32 3HB ALA 32 19.020 9.007 0.557 289 H LYS 33 H LYS 33 21.172 9.434 0.047 290 HA LYS 33 HA LYS 33 23.336 10.259 -0.182 291 1HB LYS 33 1HB LYS 33 24.117 7.579 1.011 292 2HB LYS 33 2HB LYS 33 25.054 9.062 1.060 293 1HG LYS 33 1HG LYS 33 22.314 8.772 2.330 294 2HG LYS 33 2HG LYS 33 23.826 8.518 3.197 295 1HD LYS 33 1HD LYS 33 24.493 10.869 2.398 296 2HD LYS 33 2HD LYS 33 22.793 11.078 1.973 297 1HE LYS 33 1HE LYS 33 22.076 10.896 4.218 298 2HE LYS 33 2HE LYS 33 23.596 10.143 4.737 299 1HZ LYS 33 1HZ LYS 33 24.767 12.192 4.198 300 2HZ LYS 33 2HZ LYS 33 23.310 12.926 3.719 301 3HZ LYS 33 3HZ LYS 33 23.552 12.484 5.340 302 H GLU 34 H GLU 34 22.735 9.865 -2.537 303 HA GLU 34 HA GLU 34 23.351 9.319 -4.698 304 1HB GLU 34 1HB GLU 34 25.721 9.398 -3.053 305 2HB GLU 34 2HB GLU 34 25.937 8.219 -4.343 306 1HG GLU 34 1HG GLU 34 25.797 9.797 -6.008 307 2HG GLU 34 2HG GLU 34 24.716 10.839 -5.083 Start of MODEL 13 1 1H CYS 1 1H CYS 1 -13.683 12.895 -2.005 2 2H CYS 1 2H CYS 1 -14.817 13.830 -1.150 3 3H CYS 1 3H CYS 1 -14.659 12.179 -0.819 4 HA CYS 1 HA CYS 1 -16.636 12.541 -2.136 5 1HB CYS 1 1HB CYS 1 -16.451 13.631 -4.308 6 2HB CYS 1 2HB CYS 1 -15.786 14.680 -3.064 7 HG CYS 1 HG CYS 1 -14.206 14.348 -5.293 8 H ALA 2 H ALA 2 -16.807 11.553 -4.630 9 HA ALA 2 HA ALA 2 -16.564 9.738 -6.021 10 1HB ALA 2 1HB ALA 2 -14.055 10.525 -5.630 11 2HB ALA 2 2HB ALA 2 -13.949 8.962 -4.819 12 3HB ALA 2 3HB ALA 2 -14.429 9.045 -6.513 13 H VAL 3 H VAL 3 -17.003 7.541 -6.029 14 HA VAL 3 HA VAL 3 -18.064 5.642 -5.231 15 HB VAL 3 HB VAL 3 -16.605 4.243 -3.963 16 1HG1 VAL 3 1HG1 VAL 3 -15.980 4.723 -6.300 17 2HG1 VAL 3 2HG1 VAL 3 -14.966 6.057 -5.751 18 3HG1 VAL 3 3HG1 VAL 3 -14.566 4.400 -5.302 19 1HG2 VAL 3 1HG2 VAL 3 -16.046 6.147 -2.299 20 2HG2 VAL 3 2HG2 VAL 3 -14.779 4.980 -2.660 21 3HG2 VAL 3 3HG2 VAL 3 -14.761 6.571 -3.427 22 H GLU 4 H GLU 4 -18.763 8.138 -3.676 23 HA GLU 4 HA GLU 4 -20.021 8.787 -1.869 24 1HB GLU 4 1HB GLU 4 -20.741 5.852 -1.761 25 2HB GLU 4 2HB GLU 4 -21.698 7.190 -1.147 26 1HG GLU 4 1HG GLU 4 -22.758 7.014 -3.154 27 2HG GLU 4 2HG GLU 4 -21.395 7.963 -3.741 28 H LEU 5 H LEU 5 -17.204 7.550 -1.336 29 HA LEU 5 HA LEU 5 -15.861 6.928 0.467 30 1HB LEU 5 1HB LEU 5 -17.891 8.839 1.676 31 2HB LEU 5 2HB LEU 5 -16.418 8.349 2.490 32 HG LEU 5 HG LEU 5 -15.893 10.423 1.514 33 1HD1 LEU 5 1HD1 LEU 5 -14.285 8.496 0.964 34 2HD1 LEU 5 2HD1 LEU 5 -14.936 8.586 -0.672 35 3HD1 LEU 5 3HD1 LEU 5 -14.122 9.981 0.030 36 1HD2 LEU 5 1HD2 LEU 5 -17.981 10.055 -0.167 37 2HD2 LEU 5 2HD2 LEU 5 -16.745 11.284 -0.427 38 3HD2 LEU 5 3HD2 LEU 5 -16.651 9.746 -1.280 39 H ARG 6 H ARG 6 -17.850 5.042 -0.149 40 HA ARG 6 HA ARG 6 -18.177 3.616 2.425 41 1HB ARG 6 1HB ARG 6 -20.080 5.184 2.182 42 2HB ARG 6 2HB ARG 6 -20.484 4.430 0.645 43 1HG ARG 6 1HG ARG 6 -21.120 2.403 1.662 44 2HG ARG 6 2HG ARG 6 -20.282 2.783 3.168 45 1HD ARG 6 1HD ARG 6 -22.610 4.436 2.154 46 2HD ARG 6 2HD ARG 6 -22.827 3.055 3.251 47 HE ARG 6 HE ARG 6 -21.442 5.588 3.929 48 1HH1 ARG 6 1HH2 ARG 6 -23.616 4.529 5.643 49 2HH1 ARG 6 2HH2 ARG 6 -22.757 3.759 6.931 50 1HH2 ARG 6 1HH1 ARG 6 -19.737 3.652 5.175 51 2HH2 ARG 6 2HH1 ARG 6 -20.524 3.253 6.660 52 H SER 7 H SER 7 -19.097 3.609 -1.058 53 HA SER 7 HA SER 7 -19.548 0.861 -1.419 54 1HB SER 7 1HB SER 7 -18.730 3.146 -3.166 55 2HB SER 7 2HB SER 7 -18.738 1.522 -3.838 56 HG SER 7 HG SER 7 -20.795 3.112 -3.473 57 HA PRO 8 HA PRO 8 -15.371 -0.692 -0.959 58 1HB PRO 8 1HB PRO 8 -15.973 -3.331 -1.300 59 2HB PRO 8 2HB PRO 8 -16.277 -2.453 0.214 60 1HG PRO 8 1HG PRO 8 -18.168 -3.255 -1.910 61 2HG PRO 8 2HG PRO 8 -18.410 -3.128 -0.162 62 1HD PRO 8 1HD PRO 8 -19.271 -1.277 -2.007 63 2HD PRO 8 2HD PRO 8 -19.019 -0.956 -0.279 64 H GLY 9 H GLY 9 -14.015 -2.362 -2.360 65 1HA GLY 9 1HA GLY 9 -13.748 -3.390 -4.599 66 2HA GLY 9 2HA GLY 9 -14.686 -2.053 -5.259 67 H ILE 10 H ILE 10 -13.701 0.165 -4.925 68 HA ILE 10 HA ILE 10 -11.026 0.221 -5.949 69 HB ILE 10 HB ILE 10 -13.071 1.813 -6.147 70 1HG1 ILE 10 1HG1 ILE 10 -10.797 2.021 -7.221 71 2HG1 ILE 10 2HG1 ILE 10 -11.683 3.522 -6.993 72 1HG2 ILE 10 1HG2 ILE 10 -11.763 2.933 -3.676 73 2HG2 ILE 10 2HG2 ILE 10 -12.777 3.893 -4.750 74 3HG2 ILE 10 3HG2 ILE 10 -13.456 2.494 -3.918 75 1HD1 ILE 10 1HD1 ILE 10 -10.323 3.673 -4.753 76 2HD1 ILE 10 2HD1 ILE 10 -9.250 2.518 -5.543 77 3HD1 ILE 10 3HD1 ILE 10 -9.535 4.097 -6.271 78 H SER 11 H SER 11 -12.286 0.803 -2.649 79 HA SER 11 HA SER 11 -9.784 1.595 -1.468 80 1HB SER 11 1HB SER 11 -12.344 0.399 -0.386 81 2HB SER 11 2HB SER 11 -10.996 0.841 0.654 82 HG SER 11 HG SER 11 -12.794 2.416 -0.751 83 H ARG 12 H ARG 12 -11.277 -1.578 -2.026 84 HA ARG 12 HA ARG 12 -9.518 -3.183 -0.432 85 1HB ARG 12 1HB ARG 12 -11.313 -3.629 -2.811 86 2HB ARG 12 2HB ARG 12 -10.266 -4.931 -2.256 87 1HG ARG 12 1HG ARG 12 -11.236 -4.468 0.091 88 2HG ARG 12 2HG ARG 12 -12.491 -3.558 -0.750 89 1HD ARG 12 1HD ARG 12 -13.299 -5.476 -1.881 90 2HD ARG 12 2HD ARG 12 -11.820 -6.400 -1.550 91 HE ARG 12 HE ARG 12 -12.503 -6.149 0.934 92 1HH1 ARG 12 1HH1 ARG 12 -15.013 -4.694 0.611 93 2HH1 ARG 12 2HH1 ARG 12 -16.206 -5.942 0.547 94 1HH2 ARG 12 1HH2 ARG 12 -13.879 -8.456 -0.155 95 2HH2 ARG 12 2HH2 ARG 12 -15.553 -8.111 0.104 96 H PHE 13 H PHE 13 -9.231 -1.868 -3.707 97 HA PHE 13 HA PHE 13 -6.671 -3.268 -4.185 98 1HB PHE 13 1HB PHE 13 -7.627 -3.310 -6.218 99 2HB PHE 13 2HB PHE 13 -8.912 -2.253 -5.684 100 HD1 PHE 13 HD1 PHE 13 -5.495 -2.348 -7.169 101 HD2 PHE 13 HD2 PHE 13 -8.971 0.039 -6.338 102 HE1 PHE 13 HE1 PHE 13 -4.625 -0.558 -8.649 103 HE2 PHE 13 HE2 PHE 13 -8.100 1.824 -7.815 104 HZ PHE 13 HZ PHE 13 -5.926 1.527 -8.972 105 H ARG 14 H ARG 14 -7.853 -0.161 -3.120 106 HA ARG 14 HA ARG 14 -5.758 1.600 -3.837 107 1HB ARG 14 1HB ARG 14 -7.916 1.450 -1.827 108 2HB ARG 14 2HB ARG 14 -6.544 2.442 -1.340 109 1HG ARG 14 1HG ARG 14 -6.741 3.841 -3.261 110 2HG ARG 14 2HG ARG 14 -7.878 2.737 -4.037 111 1HD ARG 14 1HD ARG 14 -9.625 3.289 -2.511 112 2HD ARG 14 2HD ARG 14 -8.502 4.088 -1.394 113 HE ARG 14 HE ARG 14 -8.836 5.179 -4.155 114 1HH1 ARG 14 1HH2 ARG 14 -10.967 5.853 -2.044 115 2HH1 ARG 14 2HH2 ARG 14 -10.389 7.377 -1.472 116 1HH2 ARG 14 1HH1 ARG 14 -7.206 6.955 -2.865 117 2HH2 ARG 14 2HH1 ARG 14 -8.217 8.011 -1.944 118 H ARG 15 H ARG 15 -6.023 -0.655 -1.064 119 HA ARG 15 HA ARG 15 -3.621 0.170 0.257 120 1HB ARG 15 1HB ARG 15 -3.831 -1.891 1.500 121 2HB ARG 15 2HB ARG 15 -5.446 -1.258 1.227 122 1HG ARG 15 1HG ARG 15 -5.761 -2.852 -0.629 123 2HG ARG 15 2HG ARG 15 -4.124 -3.461 -0.390 124 1HD ARG 15 1HD ARG 15 -4.964 -4.941 1.097 125 2HD ARG 15 2HD ARG 15 -5.356 -3.580 2.162 126 HE ARG 15 HE ARG 15 -7.232 -4.696 0.111 127 1HH1 ARG 15 1HH1 ARG 15 -7.693 -1.843 0.945 128 2HH1 ARG 15 2HH1 ARG 15 -8.840 -2.024 2.225 129 1HH2 ARG 15 1HH2 ARG 15 -8.187 -5.433 2.649 130 2HH2 ARG 15 2HH2 ARG 15 -9.117 -4.092 3.220 131 H LYS 16 H LYS 16 -4.161 -2.006 -2.486 132 HA LYS 16 HA LYS 16 -1.490 -3.127 -2.551 133 1HB LYS 16 1HB LYS 16 -3.921 -3.513 -3.888 134 2HB LYS 16 2HB LYS 16 -2.862 -2.860 -5.134 135 1HG LYS 16 1HG LYS 16 -2.401 -5.121 -5.316 136 2HG LYS 16 2HG LYS 16 -1.139 -4.618 -4.196 137 1HD LYS 16 1HD LYS 16 -3.739 -5.430 -2.990 138 2HD LYS 16 2HD LYS 16 -2.778 -6.710 -3.720 139 1HE LYS 16 1HE LYS 16 -1.069 -4.984 -2.133 140 2HE LYS 16 2HE LYS 16 -2.413 -5.590 -1.155 141 1HZ LYS 16 1HZ LYS 16 -0.833 -7.364 -2.942 142 2HZ LYS 16 2HZ LYS 16 -0.418 -7.096 -1.318 143 3HZ LYS 16 3HZ LYS 16 -1.906 -7.808 -1.708 144 H ILE 17 H ILE 17 -3.013 -0.236 -3.954 145 HA ILE 17 HA ILE 17 -0.837 0.591 -5.648 146 HB ILE 17 HB ILE 17 -2.893 2.271 -4.148 147 1HG1 ILE 17 1HG1 ILE 17 -3.117 1.393 -7.031 148 2HG1 ILE 17 2HG1 ILE 17 -3.747 0.380 -5.732 149 1HG2 ILE 17 1HG2 ILE 17 -1.202 2.845 -6.597 150 2HG2 ILE 17 2HG2 ILE 17 -2.552 3.851 -6.072 151 3HG2 ILE 17 3HG2 ILE 17 -1.135 3.670 -5.040 152 1HD1 ILE 17 1HD1 ILE 17 -4.702 2.921 -5.102 153 2HD1 ILE 17 2HD1 ILE 17 -4.844 2.839 -6.856 154 3HD1 ILE 17 3HD1 ILE 17 -5.626 1.620 -5.851 155 H ALA 18 H ALA 18 -1.681 1.195 -2.232 156 HA ALA 18 HA ALA 18 0.522 2.946 -1.616 157 1HB ALA 18 1HB ALA 18 -1.432 1.241 -0.086 158 2HB ALA 18 2HB ALA 18 -0.069 1.962 0.771 159 3HB ALA 18 3HB ALA 18 -1.229 2.994 -0.064 160 H LYS 19 H LYS 19 0.119 -0.613 -1.441 161 HA LYS 19 HA LYS 19 2.593 -1.258 -0.177 162 1HB LYS 19 1HB LYS 19 0.694 -2.648 -2.057 163 2HB LYS 19 2HB LYS 19 2.223 -3.423 -1.637 164 1HG LYS 19 1HG LYS 19 1.272 -2.553 0.823 165 2HG LYS 19 2HG LYS 19 -0.192 -3.057 -0.015 166 1HD LYS 19 1HD LYS 19 0.488 -5.050 0.969 167 2HD LYS 19 2HD LYS 19 1.212 -5.188 -0.632 168 1HE LYS 19 1HE LYS 19 3.322 -4.130 0.395 169 2HE LYS 19 2HE LYS 19 2.575 -4.451 1.972 170 1HZ LYS 19 1HZ LYS 19 2.828 -6.544 -0.121 171 2HZ LYS 19 2HZ LYS 19 4.015 -6.289 1.060 172 3HZ LYS 19 3HZ LYS 19 2.445 -6.746 1.518 173 H ARG 20 H ARG 20 1.817 -0.532 -3.567 174 HA ARG 20 HA ARG 20 4.389 -1.228 -4.690 175 1HB ARG 20 1HB ARG 20 1.900 -0.530 -5.636 176 2HB ARG 20 2HB ARG 20 2.798 0.955 -5.924 177 1HG ARG 20 1HG ARG 20 3.849 0.054 -7.687 178 2HG ARG 20 2HG ARG 20 4.402 -1.315 -6.727 179 1HD ARG 20 1HD ARG 20 1.530 -1.434 -7.398 180 2HD ARG 20 2HD ARG 20 2.604 -1.501 -8.809 181 HE ARG 20 HE ARG 20 2.875 -3.345 -6.463 182 1HH1 ARG 20 1HH1 ARG 20 5.143 -3.049 -8.482 183 2HH1 ARG 20 2HH1 ARG 20 4.843 -4.386 -9.536 184 1HH2 ARG 20 1HH2 ARG 20 1.584 -4.876 -8.377 185 2HH2 ARG 20 2HH2 ARG 20 2.797 -5.440 -9.472 186 H SER 21 H SER 21 2.942 1.770 -3.403 187 HA SER 21 HA SER 21 5.099 3.579 -3.944 188 1HB SER 21 1HB SER 21 2.662 4.010 -3.180 189 2HB SER 21 2HB SER 21 3.243 3.669 -1.555 190 HG SER 21 HG SER 21 3.732 5.748 -1.637 191 H ILE 22 H ILE 22 4.387 1.469 -1.157 192 HA ILE 22 HA ILE 22 6.526 2.292 0.563 193 HB ILE 22 HB ILE 22 4.935 -0.273 0.276 194 1HG1 ILE 22 1HG1 ILE 22 4.733 1.746 2.502 195 2HG1 ILE 22 2HG1 ILE 22 3.912 2.038 0.971 196 1HG2 ILE 22 1HG2 ILE 22 7.146 0.431 2.153 197 2HG2 ILE 22 2HG2 ILE 22 5.732 -0.368 2.841 198 3HG2 ILE 22 3HG2 ILE 22 6.639 -1.146 1.547 199 1HD1 ILE 22 1HD1 ILE 22 3.584 -0.501 2.592 200 2HD1 ILE 22 2HD1 ILE 22 2.484 0.875 2.687 201 3HD1 ILE 22 3HD1 ILE 22 2.655 -0.013 1.175 202 H LYS 23 H LYS 23 6.371 -0.229 -1.979 203 HA LYS 23 HA LYS 23 8.955 -1.390 -1.532 204 1HB LYS 23 1HB LYS 23 7.149 -1.086 -3.949 205 2HB LYS 23 2HB LYS 23 8.673 -1.966 -4.032 206 1HG LYS 23 1HG LYS 23 7.946 -3.630 -2.535 207 2HG LYS 23 2HG LYS 23 6.649 -2.619 -1.894 208 1HD LYS 23 1HD LYS 23 5.460 -4.052 -3.292 209 2HD LYS 23 2HD LYS 23 5.742 -2.674 -4.348 210 1HE LYS 23 1HE LYS 23 6.765 -4.059 -5.815 211 2HE LYS 23 2HE LYS 23 8.031 -4.349 -4.611 212 1HZ LYS 23 1HZ LYS 23 5.427 -5.795 -4.685 213 2HZ LYS 23 2HZ LYS 23 6.893 -6.399 -5.295 214 3HZ LYS 23 3HZ LYS 23 6.727 -6.096 -3.637 215 H THR 24 H THR 24 7.908 1.372 -3.552 216 HA THR 24 HA THR 24 10.571 1.950 -4.579 217 HB THR 24 HB THR 24 8.091 3.700 -4.398 218 HG1 THR 24 HG1 THR 24 8.853 1.654 -6.190 219 1HG2 THR 24 1HG2 THR 24 10.534 4.527 -5.148 220 2HG2 THR 24 2HG2 THR 24 9.983 3.852 -6.682 221 3HG2 THR 24 3HG2 THR 24 9.054 5.127 -5.894 222 H LEU 25 H LEU 25 8.584 3.115 -1.866 223 HA LEU 25 HA LEU 25 10.378 5.215 -0.990 224 1HB LEU 25 1HB LEU 25 7.849 3.988 -0.210 225 2HB LEU 25 2HB LEU 25 8.835 4.354 1.186 226 HG LEU 25 HG LEU 25 7.514 6.271 0.834 227 1HD1 LEU 25 1HD1 LEU 25 10.136 6.584 0.930 228 2HD1 LEU 25 2HD1 LEU 25 9.898 7.218 -0.700 229 3HD1 LEU 25 3HD1 LEU 25 9.068 7.961 0.666 230 1HD2 LEU 25 1HD2 LEU 25 8.175 5.899 -2.087 231 2HD2 LEU 25 2HD2 LEU 25 6.590 5.912 -1.316 232 3HD2 LEU 25 3HD2 LEU 25 7.508 7.410 -1.466 233 H GLU 26 H GLU 26 10.461 1.752 -0.619 234 HA GLU 26 HA GLU 26 12.246 1.903 1.762 235 1HB GLU 26 1HB GLU 26 10.141 0.489 1.624 236 2HB GLU 26 2HB GLU 26 10.972 -0.485 0.411 237 1HG GLU 26 1HG GLU 26 12.836 -0.363 2.432 238 2HG GLU 26 2HG GLU 26 11.317 -0.421 3.332 239 H HIS 27 H HIS 27 12.126 0.640 -1.593 240 HA HIS 27 HA HIS 27 14.665 -0.637 -1.669 241 1HB HIS 27 1HB HIS 27 12.942 -0.952 -3.350 242 2HB HIS 27 2HB HIS 27 13.011 0.747 -3.801 243 HD1 HIS 27 HD1 HIS 27 14.112 0.879 -6.039 244 HD2 HIS 27 HD2 HIS 27 15.982 -1.926 -3.580 245 HE1 HIS 27 HE1 HIS 27 16.104 0.008 -7.331 246 H LYS 28 H LYS 28 13.802 2.729 -2.558 247 HA LYS 28 HA LYS 28 16.422 3.586 -3.311 248 1HB LYS 28 1HB LYS 28 15.481 5.822 -3.129 249 2HB LYS 28 2HB LYS 28 14.289 4.739 -3.834 250 1HG LYS 28 1HG LYS 28 13.290 4.488 -1.514 251 2HG LYS 28 2HG LYS 28 14.372 5.773 -0.983 252 1HD LYS 28 1HD LYS 28 12.848 6.401 -3.433 253 2HD LYS 28 2HD LYS 28 11.859 6.181 -1.992 254 1HE LYS 28 1HE LYS 28 12.569 8.129 -1.073 255 2HE LYS 28 2HE LYS 28 14.262 7.799 -1.476 256 1HZ LYS 28 1HZ LYS 28 12.194 8.712 -3.414 257 2HZ LYS 28 2HZ LYS 28 13.402 9.689 -2.729 258 3HZ LYS 28 3HZ LYS 28 13.827 8.414 -3.765 259 H ARG 29 H ARG 29 14.860 3.397 -0.154 260 HA ARG 29 HA ARG 29 16.823 4.915 1.333 261 1HB ARG 29 1HB ARG 29 14.394 4.431 1.882 262 2HB ARG 29 2HB ARG 29 14.903 2.805 2.326 263 1HG ARG 29 1HG ARG 29 16.569 4.887 3.542 264 2HG ARG 29 2HG ARG 29 14.875 5.008 4.011 265 1HD ARG 29 1HD ARG 29 16.523 2.462 4.188 266 2HD ARG 29 2HD ARG 29 16.190 3.539 5.552 267 HE ARG 29 HE ARG 29 14.358 1.600 4.527 268 1HH1 ARG 29 1HH2 ARG 29 14.406 3.578 7.051 269 2HH1 ARG 29 2HH2 ARG 29 12.807 4.217 6.909 270 1HH2 ARG 29 1HH1 ARG 29 12.325 2.989 3.674 271 2HH2 ARG 29 2HH1 ARG 29 11.614 3.880 4.977 272 H GLU 30 H GLU 30 16.643 1.492 0.371 273 HA GLU 30 HA GLU 30 18.566 0.556 2.337 274 1HB GLU 30 1HB GLU 30 16.771 -0.731 0.901 275 2HB GLU 30 2HB GLU 30 18.062 -0.807 -0.302 276 1HG GLU 30 1HG GLU 30 19.553 -1.643 1.639 277 2HG GLU 30 2HG GLU 30 18.043 -1.938 2.494 278 H ASN 31 H ASN 31 18.828 1.120 -1.205 279 HA ASN 31 HA ASN 31 21.730 0.888 -1.202 280 1HB ASN 31 1HB ASN 31 19.910 0.546 -3.089 281 2HB ASN 31 2HB ASN 31 20.138 2.273 -3.350 282 1HD2 ASN 31 2HD2 ASN 31 21.454 2.368 -5.230 283 2HD2 ASN 31 1HD2 ASN 31 22.919 1.527 -5.394 284 H ALA 32 H ALA 32 19.429 3.608 -1.387 285 HA ALA 32 HA ALA 32 19.626 5.888 -1.078 286 1HB ALA 32 1HB ALA 32 20.129 4.831 1.156 287 2HB ALA 32 2HB ALA 32 21.840 5.097 0.812 288 3HB ALA 32 3HB ALA 32 20.741 6.471 0.940 289 H LYS 33 H LYS 33 20.352 6.732 -3.008 290 HA LYS 33 HA LYS 33 23.312 7.028 -3.396 291 1HB LYS 33 1HB LYS 33 21.978 5.754 -5.097 292 2HB LYS 33 2HB LYS 33 21.050 7.219 -5.407 293 1HG LYS 33 1HG LYS 33 23.584 8.184 -5.677 294 2HG LYS 33 2HG LYS 33 23.817 6.525 -6.216 295 1HD LYS 33 1HD LYS 33 23.193 7.494 -8.215 296 2HD LYS 33 2HD LYS 33 21.613 7.016 -7.609 297 1HE LYS 33 1HE LYS 33 21.183 9.234 -8.157 298 2HE LYS 33 2HE LYS 33 21.699 9.437 -6.476 299 1HZ LYS 33 1HZ LYS 33 23.639 9.492 -8.725 300 2HZ LYS 33 2HZ LYS 33 22.845 10.887 -8.182 301 3HZ LYS 33 3HZ LYS 33 23.859 10.023 -7.129 302 H GLU 34 H GLU 34 23.645 8.959 -2.226 303 HA GLU 34 HA GLU 34 22.172 11.375 -3.203 304 1HB GLU 34 1HB GLU 34 22.040 10.261 -0.734 305 2HB GLU 34 2HB GLU 34 23.403 11.349 -0.493 306 1HG GLU 34 1HG GLU 34 22.128 13.252 -0.859 307 2HG GLU 34 2HG GLU 34 20.944 12.402 -1.849 Start of MODEL 14 1 1H CYS 1 1H CYS 1 -29.581 -3.474 -6.105 2 2H CYS 1 2H CYS 1 -28.912 -1.941 -5.841 3 3H CYS 1 3H CYS 1 -29.655 -2.298 -7.324 4 HA CYS 1 HA CYS 1 -27.979 -3.808 -7.953 5 1HB CYS 1 1HB CYS 1 -26.085 -2.276 -8.082 6 2HB CYS 1 2HB CYS 1 -27.596 -1.412 -8.317 7 HG CYS 1 HG CYS 1 -25.656 -1.047 -5.958 8 H ALA 2 H ALA 2 -27.530 -2.872 -4.531 9 HA ALA 2 HA ALA 2 -26.304 -3.837 -2.811 10 1HB ALA 2 1HB ALA 2 -28.022 -5.537 -3.393 11 2HB ALA 2 2HB ALA 2 -26.852 -6.317 -4.458 12 3HB ALA 2 3HB ALA 2 -26.556 -6.251 -2.722 13 H VAL 3 H VAL 3 -24.474 -2.621 -4.219 14 HA VAL 3 HA VAL 3 -22.153 -4.411 -4.155 15 HB VAL 3 HB VAL 3 -23.008 -4.736 -6.407 16 1HG1 VAL 3 1HG1 VAL 3 -24.132 -2.435 -6.549 17 2HG1 VAL 3 2HG1 VAL 3 -22.547 -1.819 -7.016 18 3HG1 VAL 3 3HG1 VAL 3 -23.347 -3.036 -8.007 19 1HG2 VAL 3 1HG2 VAL 3 -20.459 -3.158 -6.119 20 2HG2 VAL 3 2HG2 VAL 3 -20.666 -4.894 -6.355 21 3HG2 VAL 3 3HG2 VAL 3 -20.975 -3.780 -7.687 22 H GLU 4 H GLU 4 -23.180 -1.055 -5.000 23 HA GLU 4 HA GLU 4 -20.620 -0.078 -3.800 24 1HB GLU 4 1HB GLU 4 -22.541 0.856 -5.892 25 2HB GLU 4 2HB GLU 4 -21.627 2.078 -5.012 26 1HG GLU 4 1HG GLU 4 -19.574 1.324 -5.807 27 2HG GLU 4 2HG GLU 4 -20.176 -0.303 -6.123 28 H LEU 5 H LEU 5 -22.484 -0.943 -1.920 29 HA LEU 5 HA LEU 5 -23.016 1.526 -0.432 30 1HB LEU 5 1HB LEU 5 -25.445 1.051 -0.221 31 2HB LEU 5 2HB LEU 5 -24.951 1.432 -1.863 32 HG LEU 5 HG LEU 5 -24.792 -1.437 -1.348 33 1HD1 LEU 5 1HD1 LEU 5 -27.456 -0.047 -0.952 34 2HD1 LEU 5 2HD1 LEU 5 -27.277 -1.771 -1.274 35 3HD1 LEU 5 3HD1 LEU 5 -26.616 -1.078 0.207 36 1HD2 LEU 5 1HD2 LEU 5 -24.821 -0.311 -3.578 37 2HD2 LEU 5 2HD2 LEU 5 -26.101 -1.512 -3.414 38 3HD2 LEU 5 3HD2 LEU 5 -26.479 0.203 -3.268 39 H ARG 6 H ARG 6 -21.402 -0.918 0.069 40 HA ARG 6 HA ARG 6 -22.403 -1.532 2.782 41 1HB ARG 6 1HB ARG 6 -23.458 -3.106 1.038 42 2HB ARG 6 2HB ARG 6 -21.848 -3.808 0.879 43 1HG ARG 6 1HG ARG 6 -22.777 -3.454 3.663 44 2HG ARG 6 2HG ARG 6 -23.703 -4.617 2.720 45 1HD ARG 6 1HD ARG 6 -21.963 -6.106 2.594 46 2HD ARG 6 2HD ARG 6 -20.737 -4.829 2.479 47 HE ARG 6 HE ARG 6 -20.569 -4.852 4.830 48 1HH1 ARG 6 1HH2 ARG 6 -21.581 -7.676 4.824 49 2HH1 ARG 6 2HH2 ARG 6 -22.891 -7.594 5.947 50 1HH2 ARG 6 1HH1 ARG 6 -23.095 -4.109 5.832 51 2HH2 ARG 6 2HH1 ARG 6 -23.763 -5.542 6.529 52 H SER 7 H SER 7 -19.975 -2.456 0.310 53 HA SER 7 HA SER 7 -17.830 -2.239 2.376 54 1HB SER 7 1HB SER 7 -16.897 -4.182 0.703 55 2HB SER 7 2HB SER 7 -17.772 -4.508 2.186 56 HG SER 7 HG SER 7 -18.797 -5.631 0.575 57 HA PRO 8 HA PRO 8 -16.259 0.492 -0.770 58 1HB PRO 8 1HB PRO 8 -13.754 0.884 0.235 59 2HB PRO 8 2HB PRO 8 -15.207 1.656 0.904 60 1HG PRO 8 1HG PRO 8 -13.703 -0.704 1.892 61 2HG PRO 8 2HG PRO 8 -14.488 0.602 2.797 62 1HD PRO 8 1HD PRO 8 -15.569 -1.871 2.496 63 2HD PRO 8 2HD PRO 8 -16.531 -0.395 2.742 64 H GLY 9 H GLY 9 -15.290 0.115 -2.736 65 1HA GLY 9 1HA GLY 9 -13.777 -2.411 -3.121 66 2HA GLY 9 2HA GLY 9 -14.527 -1.454 -4.397 67 H ILE 10 H ILE 10 -13.508 1.069 -3.968 68 HA ILE 10 HA ILE 10 -10.942 0.987 -5.147 69 HB ILE 10 HB ILE 10 -12.580 2.855 -5.231 70 1HG1 ILE 10 1HG1 ILE 10 -9.772 3.445 -4.281 71 2HG1 ILE 10 2HG1 ILE 10 -10.319 3.250 -5.944 72 1HG2 ILE 10 1HG2 ILE 10 -13.160 2.841 -2.782 73 2HG2 ILE 10 2HG2 ILE 10 -11.584 3.565 -2.457 74 3HG2 ILE 10 3HG2 ILE 10 -12.777 4.441 -3.415 75 1HD1 ILE 10 1HD1 ILE 10 -11.792 5.273 -5.607 76 2HD1 ILE 10 2HD1 ILE 10 -11.010 5.505 -4.043 77 3HD1 ILE 10 3HD1 ILE 10 -10.063 5.614 -5.526 78 H SER 11 H SER 11 -11.812 1.233 -1.690 79 HA SER 11 HA SER 11 -9.198 1.828 -0.683 80 1HB SER 11 1HB SER 11 -11.594 1.810 0.406 81 2HB SER 11 2HB SER 11 -11.206 0.137 0.788 82 HG SER 11 HG SER 11 -10.445 2.341 2.053 83 H ARG 12 H ARG 12 -10.743 -1.257 -1.540 84 HA ARG 12 HA ARG 12 -8.666 -2.962 -0.446 85 1HB ARG 12 1HB ARG 12 -11.168 -3.203 -1.915 86 2HB ARG 12 2HB ARG 12 -9.944 -4.242 -2.637 87 1HG ARG 12 1HG ARG 12 -10.267 -4.221 0.346 88 2HG ARG 12 2HG ARG 12 -11.413 -5.125 -0.636 89 1HD ARG 12 1HD ARG 12 -8.532 -5.535 -1.289 90 2HD ARG 12 2HD ARG 12 -9.103 -6.215 0.245 91 HE ARG 12 HE ARG 12 -10.975 -6.806 -1.879 92 1HH1 ARG 12 1HH1 ARG 12 -9.955 -8.641 0.350 93 2HH1 ARG 12 2HH1 ARG 12 -9.124 -9.847 -0.567 94 1HH2 ARG 12 1HH2 ARG 12 -9.032 -7.910 -3.474 95 2HH2 ARG 12 2HH2 ARG 12 -8.591 -9.427 -2.771 96 H PHE 13 H PHE 13 -9.310 -1.458 -3.611 97 HA PHE 13 HA PHE 13 -7.058 -2.643 -4.991 98 1HB PHE 13 1HB PHE 13 -8.472 -1.886 -6.596 99 2HB PHE 13 2HB PHE 13 -9.282 -0.810 -5.477 100 HD1 PHE 13 HD1 PHE 13 -6.231 -1.117 -7.632 101 HD2 PHE 13 HD2 PHE 13 -8.962 1.517 -5.621 102 HE1 PHE 13 HE1 PHE 13 -5.180 0.829 -8.750 103 HE2 PHE 13 HE2 PHE 13 -7.913 3.461 -6.737 104 HZ PHE 13 HZ PHE 13 -6.022 3.119 -8.302 105 H ARG 14 H ARG 14 -7.581 0.364 -3.163 106 HA ARG 14 HA ARG 14 -5.166 1.744 -3.719 107 1HB ARG 14 1HB ARG 14 -7.150 1.637 -1.468 108 2HB ARG 14 2HB ARG 14 -5.658 2.543 -1.230 109 1HG ARG 14 1HG ARG 14 -6.126 4.001 -3.051 110 2HG ARG 14 2HG ARG 14 -7.407 2.956 -3.658 111 1HD ARG 14 1HD ARG 14 -8.957 3.878 -2.285 112 2HD ARG 14 2HD ARG 14 -7.876 3.821 -0.881 113 HE ARG 14 HE ARG 14 -7.721 5.960 -2.979 114 1HH1 ARG 14 1HH1 ARG 14 -5.590 5.226 -0.753 115 2HH1 ARG 14 2HH1 ARG 14 -5.855 6.546 0.332 116 1HH2 ARG 14 1HH2 ARG 14 -8.864 7.495 -1.157 117 2HH2 ARG 14 2HH2 ARG 14 -7.731 7.844 0.102 118 H ARG 15 H ARG 15 -5.828 -0.950 -1.485 119 HA ARG 15 HA ARG 15 -3.431 -0.887 0.066 120 1HB ARG 15 1HB ARG 15 -5.044 -3.281 -0.884 121 2HB ARG 15 2HB ARG 15 -3.916 -3.277 0.465 122 1HG ARG 15 1HG ARG 15 -6.245 -1.367 0.417 123 2HG ARG 15 2HG ARG 15 -6.467 -3.028 0.949 124 1HD ARG 15 1HD ARG 15 -4.477 -2.574 2.555 125 2HD ARG 15 2HD ARG 15 -4.782 -0.858 2.207 126 HE ARG 15 HE ARG 15 -6.841 -2.713 3.332 127 1HH1 ARG 15 1HH1 ARG 15 -7.883 -0.236 1.936 128 2HH1 ARG 15 2HH1 ARG 15 -8.030 0.871 3.254 129 1HH2 ARG 15 1HH2 ARG 15 -6.005 -1.001 5.383 130 2HH2 ARG 15 2HH2 ARG 15 -6.951 0.437 5.230 131 H LYS 16 H LYS 16 -4.171 -2.360 -3.098 132 HA LYS 16 HA LYS 16 -1.610 -3.660 -3.451 133 1HB LYS 16 1HB LYS 16 -3.745 -4.249 -4.616 134 2HB LYS 16 2HB LYS 16 -3.667 -2.717 -5.484 135 1HG LYS 16 1HG LYS 16 -1.708 -3.355 -6.661 136 2HG LYS 16 2HG LYS 16 -1.408 -4.724 -5.596 137 1HD LYS 16 1HD LYS 16 -3.768 -4.455 -7.482 138 2HD LYS 16 2HD LYS 16 -2.332 -5.415 -7.797 139 1HE LYS 16 1HE LYS 16 -4.447 -5.881 -5.675 140 2HE LYS 16 2HE LYS 16 -4.000 -6.945 -7.013 141 1HZ LYS 16 1HZ LYS 16 -1.644 -6.761 -5.858 142 2HZ LYS 16 2HZ LYS 16 -2.606 -6.452 -4.486 143 3HZ LYS 16 3HZ LYS 16 -2.801 -7.895 -5.346 144 H ILE 17 H ILE 17 -2.948 -0.548 -4.663 145 HA ILE 17 HA ILE 17 -0.573 0.261 -6.031 146 HB ILE 17 HB ILE 17 -3.176 1.129 -5.774 147 1HG1 ILE 17 1HG1 ILE 17 -0.971 2.868 -6.844 148 2HG1 ILE 17 2HG1 ILE 17 -1.431 1.359 -7.627 149 1HG2 ILE 17 1HG2 ILE 17 -1.434 3.246 -4.481 150 2HG2 ILE 17 2HG2 ILE 17 -3.080 3.497 -5.061 151 3HG2 ILE 17 3HG2 ILE 17 -2.778 2.398 -3.718 152 1HD1 ILE 17 1HD1 ILE 17 -3.870 2.390 -7.421 153 2HD1 ILE 17 2HD1 ILE 17 -2.979 3.909 -7.373 154 3HD1 ILE 17 3HD1 ILE 17 -2.813 2.832 -8.760 155 H ALA 18 H ALA 18 -1.628 0.617 -2.665 156 HA ALA 18 HA ALA 18 0.502 2.341 -1.771 157 1HB ALA 18 1HB ALA 18 -1.675 1.899 -0.594 158 2HB ALA 18 2HB ALA 18 -1.108 0.266 -0.242 159 3HB ALA 18 3HB ALA 18 -0.274 1.657 0.451 160 H LYS 19 H LYS 19 0.141 -1.217 -2.016 161 HA LYS 19 HA LYS 19 2.503 -2.031 -0.642 162 1HB LYS 19 1HB LYS 19 0.559 -3.414 -1.560 163 2HB LYS 19 2HB LYS 19 1.312 -3.268 -3.143 164 1HG LYS 19 1HG LYS 19 2.704 -4.965 -2.673 165 2HG LYS 19 2HG LYS 19 3.313 -4.105 -1.262 166 1HD LYS 19 1HD LYS 19 2.265 -5.553 0.090 167 2HD LYS 19 2HD LYS 19 0.714 -5.104 -0.609 168 1HE LYS 19 1HE LYS 19 2.570 -7.132 -1.893 169 2HE LYS 19 2HE LYS 19 1.280 -7.575 -0.767 170 1HZ LYS 19 1HZ LYS 19 -0.065 -5.965 -2.406 171 2HZ LYS 19 2HZ LYS 19 1.090 -6.583 -3.496 172 3HZ LYS 19 3HZ LYS 19 0.073 -7.642 -2.654 173 H ARG 20 H ARG 20 1.953 -0.947 -3.978 174 HA ARG 20 HA ARG 20 4.653 -1.401 -4.950 175 1HB ARG 20 1HB ARG 20 2.429 0.435 -5.922 176 2HB ARG 20 2HB ARG 20 3.855 -0.009 -6.849 177 1HG ARG 20 1HG ARG 20 1.963 -2.107 -5.774 178 2HG ARG 20 2HG ARG 20 1.675 -1.308 -7.317 179 1HD ARG 20 1HD ARG 20 4.282 -2.000 -7.641 180 2HD ARG 20 2HD ARG 20 3.738 -3.318 -6.590 181 HE ARG 20 HE ARG 20 1.764 -2.946 -8.627 182 1HH1 ARG 20 1HH1 ARG 20 4.149 -2.651 -10.346 183 2HH1 ARG 20 2HH1 ARG 20 4.537 -4.283 -10.760 184 1HH2 ARG 20 1HH2 ARG 20 2.619 -5.643 -8.174 185 2HH2 ARG 20 2HH2 ARG 20 3.660 -6.006 -9.504 186 H SER 21 H SER 21 2.854 1.399 -3.661 187 HA SER 21 HA SER 21 4.906 3.385 -3.950 188 1HB SER 21 1HB SER 21 2.528 3.070 -2.098 189 2HB SER 21 2HB SER 21 3.532 4.514 -2.133 190 HG SER 21 HG SER 21 1.831 4.809 -3.555 191 H ILE 22 H ILE 22 3.999 1.276 -1.209 192 HA ILE 22 HA ILE 22 5.825 2.213 0.739 193 HB ILE 22 HB ILE 22 4.476 -0.434 0.187 194 1HG1 ILE 22 1HG1 ILE 22 4.088 1.355 2.575 195 2HG1 ILE 22 2HG1 ILE 22 3.335 1.772 1.037 196 1HG2 ILE 22 1HG2 ILE 22 6.316 0.263 2.492 197 2HG2 ILE 22 2HG2 ILE 22 5.123 -1.034 2.574 198 3HG2 ILE 22 3HG2 ILE 22 6.433 -1.115 1.398 199 1HD1 ILE 22 1HD1 ILE 22 3.021 -0.944 2.339 200 2HD1 ILE 22 2HD1 ILE 22 1.892 0.386 2.598 201 3HD1 ILE 22 3HD1 ILE 22 2.104 -0.288 0.982 202 H LYS 23 H LYS 23 6.288 -0.325 -1.756 203 HA LYS 23 HA LYS 23 8.962 -1.054 -0.992 204 1HB LYS 23 1HB LYS 23 7.180 -1.390 -3.373 205 2HB LYS 23 2HB LYS 23 8.904 -1.703 -3.585 206 1HG LYS 23 1HG LYS 23 8.669 -3.107 -1.394 207 2HG LYS 23 2HG LYS 23 6.949 -3.104 -1.780 208 1HD LYS 23 1HD LYS 23 9.014 -3.903 -3.835 209 2HD LYS 23 2HD LYS 23 8.375 -5.064 -2.674 210 1HE LYS 23 1HE LYS 23 6.029 -4.251 -3.455 211 2HE LYS 23 2HE LYS 23 6.895 -3.582 -4.847 212 1HZ LYS 23 1HZ LYS 23 7.497 -6.352 -4.046 213 2HZ LYS 23 2HZ LYS 23 6.045 -6.042 -4.870 214 3HZ LYS 23 3HZ LYS 23 7.528 -5.628 -5.580 215 H THR 24 H THR 24 7.757 1.279 -3.454 216 HA THR 24 HA THR 24 10.361 2.119 -4.352 217 HB THR 24 HB THR 24 7.674 3.560 -4.311 218 HG1 THR 24 HG1 THR 24 7.303 2.004 -5.694 219 1HG2 THR 24 1HG2 THR 24 10.325 4.261 -5.471 220 2HG2 THR 24 2HG2 THR 24 8.904 4.556 -6.474 221 3HG2 THR 24 3HG2 THR 24 9.035 5.311 -4.886 222 H LEU 25 H LEU 25 8.151 3.274 -1.799 223 HA LEU 25 HA LEU 25 9.702 5.520 -0.922 224 1HB LEU 25 1HB LEU 25 7.233 4.718 -0.432 225 2HB LEU 25 2HB LEU 25 7.987 3.850 0.904 226 HG LEU 25 HG LEU 25 9.119 6.118 1.449 227 1HD1 LEU 25 1HD1 LEU 25 8.264 7.089 -0.782 228 2HD1 LEU 25 2HD1 LEU 25 6.692 7.199 0.009 229 3HD1 LEU 25 3HD1 LEU 25 8.070 8.093 0.653 230 1HD2 LEU 25 1HD2 LEU 25 6.129 5.723 1.813 231 2HD2 LEU 25 2HD2 LEU 25 7.390 5.061 2.851 232 3HD2 LEU 25 3HD2 LEU 25 7.134 6.803 2.776 233 H GLU 26 H GLU 26 9.607 2.092 0.146 234 HA GLU 26 HA GLU 26 11.450 2.231 2.291 235 1HB GLU 26 1HB GLU 26 10.563 0.117 0.348 236 2HB GLU 26 2HB GLU 26 11.901 -0.233 1.445 237 1HG GLU 26 1HG GLU 26 9.500 1.042 2.653 238 2HG GLU 26 2HG GLU 26 9.326 -0.632 2.131 239 H HIS 27 H HIS 27 12.059 1.858 -1.211 240 HA HIS 27 HA HIS 27 14.901 1.471 -1.066 241 1HB HIS 27 1HB HIS 27 13.301 1.107 -3.024 242 2HB HIS 27 2HB HIS 27 13.305 2.854 -3.249 243 HD1 HIS 27 HD1 HIS 27 16.049 0.234 -2.729 244 HD2 HIS 27 HD2 HIS 27 15.167 3.500 -5.164 245 HE1 HIS 27 HE1 HIS 27 18.006 0.495 -4.311 246 H LYS 28 H LYS 28 12.879 4.384 -1.420 247 HA LYS 28 HA LYS 28 15.023 6.316 -1.522 248 1HB LYS 28 1HB LYS 28 12.061 6.415 -0.889 249 2HB LYS 28 2HB LYS 28 13.059 7.865 -0.914 250 1HG LYS 28 1HG LYS 28 13.713 7.355 -3.256 251 2HG LYS 28 2HG LYS 28 12.660 5.942 -3.226 252 1HD LYS 28 1HD LYS 28 10.884 7.801 -2.427 253 2HD LYS 28 2HD LYS 28 11.951 8.834 -3.375 254 1HE LYS 28 1HE LYS 28 11.339 6.319 -4.758 255 2HE LYS 28 2HE LYS 28 9.889 7.266 -4.398 256 1HZ LYS 28 1HZ LYS 28 12.344 8.377 -5.668 257 2HZ LYS 28 2HZ LYS 28 10.939 7.918 -6.507 258 3HZ LYS 28 3HZ LYS 28 10.878 9.198 -5.402 259 H ARG 29 H ARG 29 12.983 5.034 1.109 260 HA ARG 29 HA ARG 29 13.920 6.686 3.238 261 1HB ARG 29 1HB ARG 29 12.245 4.364 2.844 262 2HB ARG 29 2HB ARG 29 13.277 4.110 4.244 263 1HG ARG 29 1HG ARG 29 11.376 5.192 5.119 264 2HG ARG 29 2HG ARG 29 12.581 6.470 4.988 265 1HD ARG 29 1HD ARG 29 11.402 7.591 3.379 266 2HD ARG 29 2HD ARG 29 10.889 6.096 2.573 267 HE ARG 29 HE ARG 29 9.051 5.914 4.102 268 1HH1 ARG 29 1HH1 ARG 29 10.550 6.943 6.544 269 2HH1 ARG 29 2HH1 ARG 29 9.713 8.420 6.870 270 1HH2 ARG 29 1HH2 ARG 29 8.191 8.548 3.734 271 2HH2 ARG 29 2HH2 ARG 29 8.364 9.338 5.261 272 H GLU 30 H GLU 30 15.246 3.650 1.897 273 HA GLU 30 HA GLU 30 17.153 3.084 3.943 274 1HB GLU 30 1HB GLU 30 16.363 1.981 1.526 275 2HB GLU 30 2HB GLU 30 18.023 2.474 1.206 276 1HG GLU 30 1HG GLU 30 17.440 1.043 3.771 277 2HG GLU 30 2HG GLU 30 17.475 0.107 2.282 278 H ASN 31 H ASN 31 17.241 5.459 1.319 279 HA ASN 31 HA ASN 31 19.729 6.605 2.439 280 1HB ASN 31 1HB ASN 31 19.585 4.925 0.100 281 2HB ASN 31 2HB ASN 31 20.027 6.557 -0.402 282 1HD2 ASN 31 2HD2 ASN 31 21.874 7.589 0.991 283 2HD2 ASN 31 1HD2 ASN 31 23.110 6.538 1.492 284 H ALA 32 H ALA 32 17.803 8.061 3.013 285 HA ALA 32 HA ALA 32 16.805 9.743 0.780 286 1HB ALA 32 1HB ALA 32 16.128 9.628 3.728 287 2HB ALA 32 2HB ALA 32 15.285 10.607 2.529 288 3HB ALA 32 3HB ALA 32 15.233 8.847 2.426 289 H LYS 33 H LYS 33 18.290 11.266 0.214 290 HA LYS 33 HA LYS 33 19.626 13.143 0.266 291 1HB LYS 33 1HB LYS 33 17.593 14.003 1.385 292 2HB LYS 33 2HB LYS 33 18.266 13.548 2.948 293 1HG LYS 33 1HG LYS 33 20.194 15.054 2.541 294 2HG LYS 33 2HG LYS 33 19.474 15.539 1.005 295 1HD LYS 33 1HD LYS 33 17.427 15.845 2.923 296 2HD LYS 33 2HD LYS 33 18.882 16.489 3.677 297 1HE LYS 33 1HE LYS 33 18.043 18.356 2.516 298 2HE LYS 33 2HE LYS 33 19.230 17.709 1.372 299 1HZ LYS 33 1HZ LYS 33 17.392 16.367 0.389 300 2HZ LYS 33 2HZ LYS 33 16.296 17.225 1.368 301 3HZ LYS 33 3HZ LYS 33 17.208 18.038 0.191 302 H GLU 34 H GLU 34 19.837 12.647 3.807 303 HA GLU 34 HA GLU 34 22.777 12.305 3.495 304 1HB GLU 34 1HB GLU 34 20.939 13.089 5.770 305 2HB GLU 34 2HB GLU 34 22.651 12.752 6.016 306 1HG GLU 34 1HG GLU 34 23.051 14.460 4.104 307 2HG GLU 34 2HG GLU 34 21.391 14.967 4.406 Start of MODEL 15 1 1H CYS 1 1H CYS 1 -21.281 -14.612 3.334 2 2H CYS 1 2H CYS 1 -22.410 -15.586 2.517 3 3H CYS 1 3H CYS 1 -20.880 -16.200 2.912 4 HA CYS 1 HA CYS 1 -20.847 -15.678 0.585 5 1HB CYS 1 1HB CYS 1 -22.084 -13.133 1.637 6 2HB CYS 1 2HB CYS 1 -21.312 -13.182 0.056 7 HG CYS 1 HG CYS 1 -23.398 -14.194 -0.794 8 H ALA 2 H ALA 2 -18.998 -14.609 -0.433 9 HA ALA 2 HA ALA 2 -16.910 -13.784 1.528 10 1HB ALA 2 1HB ALA 2 -16.635 -15.670 -0.164 11 2HB ALA 2 2HB ALA 2 -16.644 -14.434 -1.423 12 3HB ALA 2 3HB ALA 2 -15.373 -14.440 -0.202 13 H VAL 3 H VAL 3 -18.163 -11.717 1.707 14 HA VAL 3 HA VAL 3 -17.785 -9.750 -0.512 15 HB VAL 3 HB VAL 3 -19.302 -8.386 0.785 16 1HG1 VAL 3 1HG1 VAL 3 -20.200 -10.365 -0.570 17 2HG1 VAL 3 2HG1 VAL 3 -20.424 -11.183 0.976 18 3HG1 VAL 3 3HG1 VAL 3 -21.283 -9.680 0.642 19 1HG2 VAL 3 1HG2 VAL 3 -18.674 -10.369 2.946 20 2HG2 VAL 3 2HG2 VAL 3 -18.787 -8.617 3.032 21 3HG2 VAL 3 3HG2 VAL 3 -20.256 -9.589 2.954 22 H GLU 4 H GLU 4 -15.593 -10.829 1.309 23 HA GLU 4 HA GLU 4 -13.722 -10.109 2.405 24 1HB GLU 4 1HB GLU 4 -14.577 -7.446 1.231 25 2HB GLU 4 2HB GLU 4 -12.977 -7.805 1.872 26 1HG GLU 4 1HG GLU 4 -14.188 -9.494 -0.319 27 2HG GLU 4 2HG GLU 4 -13.311 -8.017 -0.686 28 H LEU 5 H LEU 5 -16.519 -9.876 3.695 29 HA LEU 5 HA LEU 5 -17.496 -9.211 5.664 30 1HB LEU 5 1HB LEU 5 -14.599 -9.223 6.527 31 2HB LEU 5 2HB LEU 5 -16.000 -9.452 7.569 32 HG LEU 5 HG LEU 5 -15.295 -11.261 5.238 33 1HD1 LEU 5 1HD1 LEU 5 -13.606 -11.384 7.033 34 2HD1 LEU 5 2HD1 LEU 5 -14.887 -11.739 8.195 35 3HD1 LEU 5 3HD1 LEU 5 -14.538 -12.873 6.891 36 1HD2 LEU 5 1HD2 LEU 5 -17.393 -11.363 7.418 37 2HD2 LEU 5 2HD2 LEU 5 -17.628 -11.460 5.673 38 3HD2 LEU 5 3HD2 LEU 5 -16.890 -12.807 6.539 39 H ARG 6 H ARG 6 -16.418 -6.932 3.838 40 HA ARG 6 HA ARG 6 -17.140 -4.723 5.608 41 1HB ARG 6 1HB ARG 6 -14.614 -5.569 5.849 42 2HB ARG 6 2HB ARG 6 -14.407 -4.495 4.469 43 1HG ARG 6 1HG ARG 6 -15.147 -2.602 5.679 44 2HG ARG 6 2HG ARG 6 -15.887 -3.590 6.938 45 1HD ARG 6 1HD ARG 6 -13.926 -2.967 8.026 46 2HD ARG 6 2HD ARG 6 -13.367 -4.455 7.238 47 HE ARG 6 HE ARG 6 -12.347 -3.101 5.481 48 1HH1 ARG 6 1HH1 ARG 6 -14.117 -0.726 5.542 49 2HH1 ARG 6 2HH1 ARG 6 -13.133 0.473 6.313 50 1HH2 ARG 6 1HH2 ARG 6 -10.882 -1.868 7.606 51 2HH2 ARG 6 2HH2 ARG 6 -11.268 -0.187 7.494 52 H SER 7 H SER 7 -17.609 -5.921 2.678 53 HA SER 7 HA SER 7 -18.204 -5.150 0.629 54 1HB SER 7 1HB SER 7 -19.311 -3.110 0.585 55 2HB SER 7 2HB SER 7 -19.303 -3.479 2.288 56 HG SER 7 HG SER 7 -17.204 -2.113 2.127 57 HA PRO 8 HA PRO 8 -14.014 -4.201 -0.705 58 1HB PRO 8 1HB PRO 8 -13.971 -5.945 -2.786 59 2HB PRO 8 2HB PRO 8 -13.673 -6.407 -1.100 60 1HG PRO 8 1HG PRO 8 -15.998 -6.932 -2.792 61 2HG PRO 8 2HG PRO 8 -15.428 -7.784 -1.352 62 1HD PRO 8 1HD PRO 8 -17.549 -5.913 -1.527 63 2HD PRO 8 2HD PRO 8 -16.906 -6.699 -0.074 64 H GLY 9 H GLY 9 -13.105 -3.264 -2.654 65 1HA GLY 9 1HA GLY 9 -14.197 -2.762 -5.115 66 2HA GLY 9 2HA GLY 9 -14.983 -1.553 -4.101 67 H ILE 10 H ILE 10 -13.984 0.362 -4.214 68 HA ILE 10 HA ILE 10 -11.485 0.908 -5.376 69 HB ILE 10 HB ILE 10 -13.393 2.460 -5.049 70 1HG1 ILE 10 1HG1 ILE 10 -10.709 3.382 -3.995 71 2HG1 ILE 10 2HG1 ILE 10 -11.175 3.275 -5.690 72 1HG2 ILE 10 1HG2 ILE 10 -13.735 1.843 -2.591 73 2HG2 ILE 10 2HG2 ILE 10 -12.354 2.884 -2.241 74 3HG2 ILE 10 3HG2 ILE 10 -13.805 3.561 -2.977 75 1HD1 ILE 10 1HD1 ILE 10 -12.992 4.933 -5.256 76 2HD1 ILE 10 2HD1 ILE 10 -12.409 5.093 -3.599 77 3HD1 ILE 10 3HD1 ILE 10 -11.383 5.587 -4.944 78 H SER 11 H SER 11 -12.184 0.447 -1.882 79 HA SER 11 HA SER 11 -9.572 1.189 -0.973 80 1HB SER 11 1HB SER 11 -11.879 0.779 0.254 81 2HB SER 11 2HB SER 11 -11.222 -0.841 0.476 82 HG SER 11 HG SER 11 -10.243 1.662 1.360 83 H ARG 12 H ARG 12 -10.844 -1.974 -2.085 84 HA ARG 12 HA ARG 12 -8.615 -3.558 -1.226 85 1HB ARG 12 1HB ARG 12 -10.971 -3.852 -2.873 86 2HB ARG 12 2HB ARG 12 -9.592 -4.552 -3.722 87 1HG ARG 12 1HG ARG 12 -9.090 -6.024 -1.915 88 2HG ARG 12 2HG ARG 12 -10.157 -5.155 -0.816 89 1HD ARG 12 1HD ARG 12 -11.586 -6.875 -1.350 90 2HD ARG 12 2HD ARG 12 -11.956 -5.825 -2.729 91 HE ARG 12 HE ARG 12 -9.780 -7.251 -3.636 92 1HH1 ARG 12 1HH2 ARG 12 -12.508 -7.730 -4.743 93 2HH1 ARG 12 2HH2 ARG 12 -12.758 -9.409 -4.413 94 1HH2 ARG 12 1HH1 ARG 12 -10.196 -9.577 -2.049 95 2HH2 ARG 12 2HH1 ARG 12 -11.433 -10.469 -2.860 96 H PHE 13 H PHE 13 -9.191 -1.628 -4.154 97 HA PHE 13 HA PHE 13 -6.648 -2.303 -5.409 98 1HB PHE 13 1HB PHE 13 -7.944 -1.576 -7.120 99 2HB PHE 13 2HB PHE 13 -9.131 -0.933 -6.009 100 HD1 PHE 13 HD1 PHE 13 -5.871 -0.128 -7.678 101 HD2 PHE 13 HD2 PHE 13 -9.423 1.398 -5.806 102 HE1 PHE 13 HE1 PHE 13 -5.249 2.174 -8.360 103 HE2 PHE 13 HE2 PHE 13 -8.799 3.693 -6.485 104 HZ PHE 13 HZ PHE 13 -6.713 4.085 -7.761 105 H ARG 14 H ARG 14 -7.939 0.476 -3.580 106 HA ARG 14 HA ARG 14 -5.737 2.240 -3.593 107 1HB ARG 14 1HB ARG 14 -8.016 2.694 -2.795 108 2HB ARG 14 2HB ARG 14 -7.775 1.587 -1.451 109 1HG ARG 14 1HG ARG 14 -5.805 3.124 -0.785 110 2HG ARG 14 2HG ARG 14 -6.508 4.289 -1.911 111 1HD ARG 14 1HD ARG 14 -8.642 4.227 -0.694 112 2HD ARG 14 2HD ARG 14 -7.985 3.019 0.426 113 HE ARG 14 HE ARG 14 -6.608 5.654 0.147 114 1HH1 ARG 14 1HH1 ARG 14 -5.696 3.609 2.142 115 2HH1 ARG 14 2HH1 ARG 14 -6.441 4.160 3.600 116 1HH2 ARG 14 1HH2 ARG 14 -8.708 6.235 1.943 117 2HH2 ARG 14 2HH2 ARG 14 -8.173 5.669 3.486 118 H ARG 15 H ARG 15 -6.432 -0.460 -1.333 119 HA ARG 15 HA ARG 15 -4.185 -0.113 0.403 120 1HB ARG 15 1HB ARG 15 -6.341 -1.572 0.572 121 2HB ARG 15 2HB ARG 15 -5.399 -2.783 -0.301 122 1HG ARG 15 1HG ARG 15 -3.585 -2.441 1.464 123 2HG ARG 15 2HG ARG 15 -4.789 -1.546 2.390 124 1HD ARG 15 1HD ARG 15 -5.893 -3.439 3.008 125 2HD ARG 15 2HD ARG 15 -5.747 -4.163 1.395 126 HE ARG 15 HE ARG 15 -3.624 -5.065 2.001 127 1HH1 ARG 15 1HH1 ARG 15 -2.421 -2.745 3.386 128 2HH1 ARG 15 2HH1 ARG 15 -2.353 -3.264 5.034 129 1HH2 ARG 15 1HH2 ARG 15 -4.644 -5.859 4.562 130 2HH2 ARG 15 2HH2 ARG 15 -3.634 -5.054 5.711 131 H LYS 16 H LYS 16 -4.547 -1.838 -2.686 132 HA LYS 16 HA LYS 16 -1.935 -3.104 -2.632 133 1HB LYS 16 1HB LYS 16 -4.114 -3.693 -3.950 134 2HB LYS 16 2HB LYS 16 -3.546 -2.487 -5.106 135 1HG LYS 16 1HG LYS 16 -1.334 -3.733 -5.158 136 2HG LYS 16 2HG LYS 16 -2.123 -5.016 -4.242 137 1HD LYS 16 1HD LYS 16 -3.092 -5.831 -6.099 138 2HD LYS 16 2HD LYS 16 -3.791 -4.260 -6.476 139 1HE LYS 16 1HE LYS 16 -2.402 -4.751 -8.342 140 2HE LYS 16 2HE LYS 16 -1.433 -3.633 -7.367 141 1HZ LYS 16 1HZ LYS 16 -1.276 -6.591 -7.072 142 2HZ LYS 16 2HZ LYS 16 -0.237 -5.697 -8.075 143 3HZ LYS 16 3HZ LYS 16 -0.243 -5.427 -6.400 144 H ILE 17 H ILE 17 -3.217 -0.042 -3.968 145 HA ILE 17 HA ILE 17 -0.987 0.741 -5.554 146 HB ILE 17 HB ILE 17 -2.933 2.365 -3.879 147 1HG1 ILE 17 1HG1 ILE 17 -4.125 1.124 -5.569 148 2HG1 ILE 17 2HG1 ILE 17 -4.011 2.790 -6.116 149 1HG2 ILE 17 1HG2 ILE 17 -0.972 3.256 -5.997 150 2HG2 ILE 17 2HG2 ILE 17 -2.362 4.222 -5.504 151 3HG2 ILE 17 3HG2 ILE 17 -1.106 3.824 -4.333 152 1HD1 ILE 17 1HD1 ILE 17 -1.836 1.930 -7.337 153 2HD1 ILE 17 2HD1 ILE 17 -2.606 0.353 -7.155 154 3HD1 ILE 17 3HD1 ILE 17 -3.422 1.637 -8.045 155 H ALA 18 H ALA 18 -1.663 1.282 -2.085 156 HA ALA 18 HA ALA 18 0.800 2.670 -1.498 157 1HB ALA 18 1HB ALA 18 -1.451 2.470 -0.174 158 2HB ALA 18 2HB ALA 18 -0.747 0.987 0.474 159 3HB ALA 18 3HB ALA 18 0.058 2.534 0.739 160 H LYS 19 H LYS 19 -0.153 -0.774 -1.323 161 HA LYS 19 HA LYS 19 2.192 -1.860 -0.131 162 1HB LYS 19 1HB LYS 19 -0.137 -2.755 -1.646 163 2HB LYS 19 2HB LYS 19 1.297 -3.689 -2.057 164 1HG LYS 19 1HG LYS 19 1.691 -4.035 0.406 165 2HG LYS 19 2HG LYS 19 0.130 -3.272 0.706 166 1HD LYS 19 1HD LYS 19 -0.391 -5.566 0.655 167 2HD LYS 19 2HD LYS 19 -0.820 -5.011 -0.962 168 1HE LYS 19 1HE LYS 19 1.397 -5.787 -1.798 169 2HE LYS 19 2HE LYS 19 1.763 -6.415 -0.182 170 1HZ LYS 19 1HZ LYS 19 -0.717 -7.170 -1.627 171 2HZ LYS 19 2HZ LYS 19 0.729 -8.034 -1.809 172 3HZ LYS 19 3HZ LYS 19 -0.011 -7.922 -0.284 173 H ARG 20 H ARG 20 1.554 -0.796 -3.440 174 HA ARG 20 HA ARG 20 3.962 -1.978 -4.595 175 1HB ARG 20 1HB ARG 20 1.536 -0.624 -5.429 176 2HB ARG 20 2HB ARG 20 2.933 0.052 -6.257 177 1HG ARG 20 1HG ARG 20 2.824 -2.916 -6.079 178 2HG ARG 20 2HG ARG 20 1.632 -2.147 -7.123 179 1HD ARG 20 1HD ARG 20 3.428 -2.437 -8.600 180 2HD ARG 20 2HD ARG 20 3.723 -0.788 -8.021 181 HE ARG 20 HE ARG 20 5.186 -1.971 -6.217 182 1HH1 ARG 20 1HH1 ARG 20 4.687 -4.673 -7.588 183 2HH1 ARG 20 2HH1 ARG 20 6.152 -4.860 -8.485 184 1HH2 ARG 20 1HH2 ARG 20 7.059 -1.500 -8.161 185 2HH2 ARG 20 2HH2 ARG 20 7.520 -3.033 -8.817 186 H SER 21 H SER 21 2.981 1.285 -3.486 187 HA SER 21 HA SER 21 5.414 2.596 -4.362 188 1HB SER 21 1HB SER 21 3.001 3.495 -3.766 189 2HB SER 21 2HB SER 21 3.692 3.645 -2.154 190 HG SER 21 HG SER 21 5.280 4.989 -3.012 191 H ILE 22 H ILE 22 4.551 0.891 -1.381 192 HA ILE 22 HA ILE 22 6.394 1.996 0.445 193 HB ILE 22 HB ILE 22 5.166 -0.735 0.043 194 1HG1 ILE 22 1HG1 ILE 22 4.826 1.135 2.377 195 2HG1 ILE 22 2HG1 ILE 22 3.958 1.427 0.869 196 1HG2 ILE 22 1HG2 ILE 22 7.175 0.092 2.139 197 2HG2 ILE 22 2HG2 ILE 22 5.945 -1.120 2.490 198 3HG2 ILE 22 3HG2 ILE 22 7.112 -1.398 1.199 199 1HD1 ILE 22 1HD1 ILE 22 3.357 -1.144 1.106 200 2HD1 ILE 22 2HD1 ILE 22 3.675 -0.831 2.812 201 3HD1 ILE 22 3HD1 ILE 22 2.424 0.081 1.966 202 H LYS 23 H LYS 23 6.949 -0.731 -1.820 203 HA LYS 23 HA LYS 23 9.666 -1.274 -1.220 204 1HB LYS 23 1HB LYS 23 7.902 -2.399 -2.800 205 2HB LYS 23 2HB LYS 23 8.590 -1.339 -4.031 206 1HG LYS 23 1HG LYS 23 10.495 -2.890 -2.337 207 2HG LYS 23 2HG LYS 23 9.572 -3.785 -3.541 208 1HD LYS 23 1HD LYS 23 10.731 -1.266 -4.548 209 2HD LYS 23 2HD LYS 23 11.924 -2.461 -4.040 210 1HE LYS 23 1HE LYS 23 11.115 -4.094 -5.570 211 2HE LYS 23 2HE LYS 23 9.619 -3.191 -5.868 212 1HZ LYS 23 1HZ LYS 23 12.359 -2.229 -6.530 213 2HZ LYS 23 2HZ LYS 23 11.233 -2.836 -7.643 214 3HZ LYS 23 3HZ LYS 23 10.904 -1.395 -6.824 215 H THR 24 H THR 24 8.278 1.157 -3.434 216 HA THR 24 HA THR 24 10.831 2.132 -4.433 217 HB THR 24 HB THR 24 8.181 3.601 -4.369 218 HG1 THR 24 HG1 THR 24 8.997 1.629 -6.241 219 1HG2 THR 24 1HG2 THR 24 10.559 3.597 -6.235 220 2HG2 THR 24 2HG2 THR 24 9.015 4.353 -6.636 221 3HG2 THR 24 3HG2 THR 24 9.948 4.933 -5.257 222 H LEU 25 H LEU 25 8.560 3.099 -1.868 223 HA LEU 25 HA LEU 25 9.819 5.540 -1.056 224 1HB LEU 25 1HB LEU 25 7.620 3.907 -0.299 225 2HB LEU 25 2HB LEU 25 8.615 4.076 1.140 226 HG LEU 25 HG LEU 25 8.580 6.646 0.043 227 1HD1 LEU 25 1HD1 LEU 25 5.871 5.316 -0.190 228 2HD1 LEU 25 2HD1 LEU 25 6.096 7.064 -0.134 229 3HD1 LEU 25 3HD1 LEU 25 6.778 6.129 -1.465 230 1HD2 LEU 25 1HD2 LEU 25 6.955 5.357 2.259 231 2HD2 LEU 25 2HD2 LEU 25 8.498 6.197 2.419 232 3HD2 LEU 25 3HD2 LEU 25 7.042 7.100 2.002 233 H GLU 26 H GLU 26 10.246 2.146 -0.027 234 HA GLU 26 HA GLU 26 12.162 2.607 2.053 235 1HB GLU 26 1HB GLU 26 11.462 0.278 0.258 236 2HB GLU 26 2HB GLU 26 12.723 0.148 1.488 237 1HG GLU 26 1HG GLU 26 11.208 0.546 3.259 238 2HG GLU 26 2HG GLU 26 9.967 1.172 2.172 239 H HIS 27 H HIS 27 12.644 1.751 -1.412 240 HA HIS 27 HA HIS 27 15.460 1.660 -1.455 241 1HB HIS 27 1HB HIS 27 13.270 2.116 -3.389 242 2HB HIS 27 2HB HIS 27 14.853 2.693 -3.900 243 HD1 HIS 27 HD1 HIS 27 12.894 -0.395 -3.359 244 HD2 HIS 27 HD2 HIS 27 16.891 0.603 -3.994 245 HE1 HIS 27 HE1 HIS 27 14.081 -2.547 -3.969 246 H LYS 28 H LYS 28 13.424 4.525 -1.187 247 HA LYS 28 HA LYS 28 15.742 6.317 -1.754 248 1HB LYS 28 1HB LYS 28 12.758 6.767 -1.504 249 2HB LYS 28 2HB LYS 28 13.926 8.047 -1.803 250 1HG LYS 28 1HG LYS 28 13.977 5.666 -3.616 251 2HG LYS 28 2HG LYS 28 12.657 6.814 -3.801 252 1HD LYS 28 1HD LYS 28 14.083 7.986 -5.105 253 2HD LYS 28 2HD LYS 28 14.845 8.484 -3.595 254 1HE LYS 28 1HE LYS 28 16.519 6.782 -3.756 255 2HE LYS 28 2HE LYS 28 15.642 5.942 -5.048 256 1HZ LYS 28 1HZ LYS 28 16.723 8.710 -5.260 257 2HZ LYS 28 2HZ LYS 28 17.445 7.329 -5.920 258 3HZ LYS 28 3HZ LYS 28 15.930 7.838 -6.486 259 H ARG 29 H ARG 29 13.223 5.709 0.738 260 HA ARG 29 HA ARG 29 14.523 7.568 2.636 261 1HB ARG 29 1HB ARG 29 12.046 7.412 2.183 262 2HB ARG 29 2HB ARG 29 12.070 5.829 2.952 263 1HG ARG 29 1HG ARG 29 11.566 7.073 4.806 264 2HG ARG 29 2HG ARG 29 13.320 7.235 4.879 265 1HD ARG 29 1HD ARG 29 12.970 9.337 3.372 266 2HD ARG 29 2HD ARG 29 11.282 9.247 3.919 267 HE ARG 29 HE ARG 29 13.626 9.747 5.664 268 1HH1 ARG 29 1HH2 ARG 29 11.217 11.528 5.592 269 2HH1 ARG 29 2HH2 ARG 29 10.365 11.054 7.019 270 1HH2 ARG 29 1HH1 ARG 29 12.134 8.063 7.375 271 2HH2 ARG 29 2HH1 ARG 29 10.893 9.061 8.045 272 H GLU 30 H GLU 30 13.649 4.057 2.641 273 HA GLU 30 HA GLU 30 14.834 3.442 5.159 274 1HB GLU 30 1HB GLU 30 13.303 1.937 3.964 275 2HB GLU 30 2HB GLU 30 14.469 1.742 2.664 276 1HG GLU 30 1HG GLU 30 15.348 1.066 5.439 277 2HG GLU 30 2HG GLU 30 14.255 -0.044 4.617 278 H ASN 31 H ASN 31 16.241 3.119 1.866 279 HA ASN 31 HA ASN 31 18.904 2.469 2.826 280 1HB ASN 31 1HB ASN 31 18.051 1.856 0.584 281 2HB ASN 31 2HB ASN 31 17.921 3.561 0.160 282 1HD2 ASN 31 2HD2 ASN 31 19.996 4.794 -0.101 283 2HD2 ASN 31 1HD2 ASN 31 21.445 3.954 -0.368 284 H ALA 32 H ALA 32 17.565 5.411 1.302 285 HA ALA 32 HA ALA 32 18.008 7.657 1.503 286 1HB ALA 32 1HB ALA 32 17.815 6.789 3.964 287 2HB ALA 32 2HB ALA 32 19.533 7.173 4.027 288 3HB ALA 32 3HB ALA 32 18.358 8.432 3.638 289 H LYS 33 H LYS 33 21.032 5.884 2.453 290 HA LYS 33 HA LYS 33 22.488 7.474 0.399 291 1HB LYS 33 1HB LYS 33 22.588 7.800 3.276 292 2HB LYS 33 2HB LYS 33 24.161 7.313 2.662 293 1HG LYS 33 1HG LYS 33 24.525 9.315 1.712 294 2HG LYS 33 2HG LYS 33 22.938 9.330 0.947 295 1HD LYS 33 1HD LYS 33 23.018 9.791 3.893 296 2HD LYS 33 2HD LYS 33 23.630 11.081 2.866 297 1HE LYS 33 1HE LYS 33 21.481 11.735 2.592 298 2HE LYS 33 2HE LYS 33 21.249 10.284 1.605 299 1HZ LYS 33 1HZ LYS 33 20.761 9.029 3.621 300 2HZ LYS 33 2HZ LYS 33 20.946 10.427 4.565 301 3HZ LYS 33 3HZ LYS 33 19.682 10.327 3.436 302 H GLU 34 H GLU 34 24.747 6.574 0.122 303 HA GLU 34 HA GLU 34 24.690 3.595 0.246 304 1HB GLU 34 1HB GLU 34 26.350 5.564 -1.363 305 2HB GLU 34 2HB GLU 34 26.447 3.810 -1.506 306 1HG GLU 34 1HG GLU 34 23.722 4.328 -1.759 307 2HG GLU 34 2HG GLU 34 24.477 5.658 -2.631 Start of MODEL 16 1 1H CYS 1 1H CYS 1 -27.579 -7.220 8.935 2 2H CYS 1 2H CYS 1 -28.411 -6.301 7.780 3 3H CYS 1 3H CYS 1 -28.406 -7.998 7.674 4 HA CYS 1 HA CYS 1 -26.085 -8.055 7.143 5 1HB CYS 1 1HB CYS 1 -27.985 -7.412 5.465 6 2HB CYS 1 2HB CYS 1 -27.250 -5.810 5.503 7 HG CYS 1 HG CYS 1 -25.006 -6.900 4.648 8 H ALA 2 H ALA 2 -24.089 -7.158 7.606 9 HA ALA 2 HA ALA 2 -24.000 -4.281 8.442 10 1HB ALA 2 1HB ALA 2 -23.661 -6.042 10.194 11 2HB ALA 2 2HB ALA 2 -22.242 -6.597 9.306 12 3HB ALA 2 3HB ALA 2 -22.269 -4.977 10.001 13 H VAL 3 H VAL 3 -23.753 -4.138 5.948 14 HA VAL 3 HA VAL 3 -20.833 -4.130 5.249 15 HB VAL 3 HB VAL 3 -21.398 -4.896 3.029 16 1HG1 VAL 3 1HG1 VAL 3 -21.070 -6.559 4.947 17 2HG1 VAL 3 2HG1 VAL 3 -22.819 -6.776 4.911 18 3HG1 VAL 3 3HG1 VAL 3 -21.853 -7.173 3.492 19 1HG2 VAL 3 1HG2 VAL 3 -24.233 -4.693 4.035 20 2HG2 VAL 3 2HG2 VAL 3 -23.533 -4.049 2.552 21 3HG2 VAL 3 3HG2 VAL 3 -23.828 -5.779 2.708 22 H GLU 4 H GLU 4 -23.059 -2.029 5.998 23 HA GLU 4 HA GLU 4 -23.551 0.160 5.473 24 1HB GLU 4 1HB GLU 4 -20.978 -0.062 5.182 25 2HB GLU 4 2HB GLU 4 -21.319 0.059 3.460 26 1HG GLU 4 1HG GLU 4 -22.772 2.159 4.336 27 2HG GLU 4 2HG GLU 4 -21.528 2.128 5.586 28 H LEU 5 H LEU 5 -24.349 -2.248 3.514 29 HA LEU 5 HA LEU 5 -25.551 -2.578 1.574 30 1HB LEU 5 1HB LEU 5 -26.543 0.097 2.588 31 2HB LEU 5 2HB LEU 5 -27.332 -0.789 1.299 32 HG LEU 5 HG LEU 5 -28.545 -1.413 3.194 33 1HD1 LEU 5 1HD1 LEU 5 -27.585 -3.401 1.903 34 2HD1 LEU 5 2HD1 LEU 5 -26.467 -3.595 3.252 35 3HD1 LEU 5 3HD1 LEU 5 -28.203 -3.726 3.521 36 1HD2 LEU 5 1HD2 LEU 5 -26.701 -0.402 4.737 37 2HD2 LEU 5 2HD2 LEU 5 -27.736 -1.681 5.370 38 3HD2 LEU 5 3HD2 LEU 5 -26.104 -2.059 4.828 39 H ARG 6 H ARG 6 -22.903 -1.356 1.202 40 HA ARG 6 HA ARG 6 -23.195 -0.521 -1.575 41 1HB ARG 6 1HB ARG 6 -23.704 1.498 -0.048 42 2HB ARG 6 2HB ARG 6 -21.985 1.486 0.321 43 1HG ARG 6 1HG ARG 6 -22.022 2.943 -1.477 44 2HG ARG 6 2HG ARG 6 -21.722 1.422 -2.308 45 1HD ARG 6 1HD ARG 6 -24.563 2.308 -1.860 46 2HD ARG 6 2HD ARG 6 -23.627 3.018 -3.187 47 HE ARG 6 HE ARG 6 -24.528 0.233 -3.024 48 1HH1 ARG 6 1HH2 ARG 6 -24.526 1.814 -5.560 49 2HH1 ARG 6 2HH2 ARG 6 -23.185 1.146 -6.422 50 1HH2 ARG 6 1HH1 ARG 6 -21.815 -0.364 -3.573 51 2HH2 ARG 6 2HH1 ARG 6 -21.618 -0.111 -5.269 52 H SER 7 H SER 7 -20.859 -0.319 1.172 53 HA SER 7 HA SER 7 -18.688 -1.078 1.413 54 1HB SER 7 1HB SER 7 -19.236 -2.694 -1.099 55 2HB SER 7 2HB SER 7 -17.938 -2.954 0.045 56 HG SER 7 HG SER 7 -19.705 -3.255 1.641 57 HA PRO 8 HA PRO 8 -16.488 1.826 -1.031 58 1HB PRO 8 1HB PRO 8 -13.921 1.171 -0.379 59 2HB PRO 8 2HB PRO 8 -15.023 2.058 0.696 60 1HG PRO 8 1HG PRO 8 -14.275 -0.819 0.728 61 2HG PRO 8 2HG PRO 8 -14.539 0.301 2.076 62 1HD PRO 8 1HD PRO 8 -16.386 -1.519 1.304 63 2HD PRO 8 2HD PRO 8 -16.801 0.039 2.051 64 H GLY 9 H GLY 9 -14.562 -1.238 -1.251 65 1HA GLY 9 1HA GLY 9 -14.221 -2.565 -3.200 66 2HA GLY 9 2HA GLY 9 -15.059 -1.344 -4.160 67 H ILE 10 H ILE 10 -13.840 0.884 -4.092 68 HA ILE 10 HA ILE 10 -11.328 0.590 -5.395 69 HB ILE 10 HB ILE 10 -12.981 2.446 -5.629 70 1HG1 ILE 10 1HG1 ILE 10 -10.115 3.140 -4.957 71 2HG1 ILE 10 2HG1 ILE 10 -10.757 2.687 -6.534 72 1HG2 ILE 10 1HG2 ILE 10 -13.223 2.704 -3.058 73 2HG2 ILE 10 2HG2 ILE 10 -11.764 3.687 -3.166 74 3HG2 ILE 10 3HG2 ILE 10 -13.216 4.166 -4.044 75 1HD1 ILE 10 1HD1 ILE 10 -12.257 4.734 -6.383 76 2HD1 ILE 10 2HD1 ILE 10 -11.316 5.217 -4.973 77 3HD1 ILE 10 3HD1 ILE 10 -10.533 5.076 -6.548 78 H SER 11 H SER 11 -12.070 1.231 -1.964 79 HA SER 11 HA SER 11 -9.406 1.946 -1.162 80 1HB SER 11 1HB SER 11 -11.754 2.134 0.007 81 2HB SER 11 2HB SER 11 -11.375 0.529 0.620 82 HG SER 11 HG SER 11 -10.477 2.922 1.445 83 H ARG 12 H ARG 12 -11.056 -1.221 -1.358 84 HA ARG 12 HA ARG 12 -8.938 -2.767 -0.169 85 1HB ARG 12 1HB ARG 12 -11.396 -3.409 -0.706 86 2HB ARG 12 2HB ARG 12 -10.821 -3.724 -2.342 87 1HG ARG 12 1HG ARG 12 -10.721 -5.819 -1.202 88 2HG ARG 12 2HG ARG 12 -9.062 -5.243 -1.311 89 1HD ARG 12 1HD ARG 12 -9.178 -5.896 0.935 90 2HD ARG 12 2HD ARG 12 -9.600 -4.179 1.065 91 HE ARG 12 HE ARG 12 -12.000 -4.869 1.056 92 1HH1 ARG 12 1HH2 ARG 12 -11.034 -5.889 3.606 93 2HH1 ARG 12 2HH2 ARG 12 -11.446 -7.567 3.568 94 1HH2 ARG 12 1HH1 ARG 12 -11.908 -7.623 0.106 95 2HH2 ARG 12 2HH1 ARG 12 -11.948 -8.565 1.555 96 H PHE 13 H PHE 13 -9.617 -1.720 -3.501 97 HA PHE 13 HA PHE 13 -7.424 -3.125 -4.751 98 1HB PHE 13 1HB PHE 13 -8.838 -2.506 -6.419 99 2HB PHE 13 2HB PHE 13 -9.584 -1.271 -5.429 100 HD1 PHE 13 HD1 PHE 13 -6.550 -1.955 -7.527 101 HD2 PHE 13 HD2 PHE 13 -9.202 0.999 -5.893 102 HE1 PHE 13 HE1 PHE 13 -5.434 -0.203 -8.879 103 HE2 PHE 13 HE2 PHE 13 -8.089 2.750 -7.241 104 HZ PHE 13 HZ PHE 13 -6.206 2.153 -8.735 105 H ARG 14 H ARG 14 -7.829 0.149 -3.387 106 HA ARG 14 HA ARG 14 -5.350 1.306 -4.112 107 1HB ARG 14 1HB ARG 14 -7.276 1.646 -1.831 108 2HB ARG 14 2HB ARG 14 -5.793 2.599 -1.899 109 1HG ARG 14 1HG ARG 14 -6.412 3.659 -3.901 110 2HG ARG 14 2HG ARG 14 -7.612 2.429 -4.294 111 1HD ARG 14 1HD ARG 14 -9.224 3.582 -3.211 112 2HD ARG 14 2HD ARG 14 -8.246 3.640 -1.732 113 HE ARG 14 HE ARG 14 -7.147 5.654 -2.584 114 1HH1 ARG 14 1HH2 ARG 14 -10.001 6.438 -2.583 115 2HH1 ARG 14 2HH2 ARG 14 -10.236 7.065 -4.175 116 1HH2 ARG 14 1HH1 ARG 14 -7.324 5.587 -5.438 117 2HH2 ARG 14 2HH1 ARG 14 -8.687 6.577 -5.827 118 H ARG 15 H ARG 15 -6.022 -1.087 -1.580 119 HA ARG 15 HA ARG 15 -3.774 -0.737 0.103 120 1HB ARG 15 1HB ARG 15 -5.596 -2.233 0.642 121 2HB ARG 15 2HB ARG 15 -5.302 -3.194 -0.800 122 1HG ARG 15 1HG ARG 15 -4.457 -4.261 1.295 123 2HG ARG 15 2HG ARG 15 -3.199 -4.000 0.093 124 1HD ARG 15 1HD ARG 15 -2.108 -2.435 1.375 125 2HD ARG 15 2HD ARG 15 -3.612 -1.799 2.072 126 HE ARG 15 HE ARG 15 -3.702 -3.790 3.535 127 1HH1 ARG 15 1HH2 ARG 15 -1.186 -2.477 4.354 128 2HH1 ARG 15 2HH2 ARG 15 -0.029 -3.757 4.266 129 1HH2 ARG 15 1HH1 ARG 15 -2.062 -5.794 2.289 130 2HH2 ARG 15 2HH1 ARG 15 -0.532 -5.665 3.085 131 H LYS 16 H LYS 16 -4.064 -2.639 -2.908 132 HA LYS 16 HA LYS 16 -1.338 -3.589 -2.974 133 1HB LYS 16 1HB LYS 16 -3.389 -4.498 -4.174 134 2HB LYS 16 2HB LYS 16 -3.266 -3.125 -5.271 135 1HG LYS 16 1HG LYS 16 -0.681 -4.222 -5.197 136 2HG LYS 16 2HG LYS 16 -1.763 -5.612 -5.266 137 1HD LYS 16 1HD LYS 16 -2.960 -4.093 -7.122 138 2HD LYS 16 2HD LYS 16 -1.328 -3.443 -7.272 139 1HE LYS 16 1HE LYS 16 -1.771 -6.430 -7.259 140 2HE LYS 16 2HE LYS 16 -1.976 -5.496 -8.750 141 1HZ LYS 16 1HZ LYS 16 0.448 -5.390 -7.022 142 2HZ LYS 16 2HZ LYS 16 0.319 -6.291 -8.452 143 3HZ LYS 16 3HZ LYS 16 0.224 -4.598 -8.512 144 H ILE 17 H ILE 17 -2.962 -0.695 -4.258 145 HA ILE 17 HA ILE 17 -0.809 0.310 -5.865 146 HB ILE 17 HB ILE 17 -3.028 1.741 -4.348 147 1HG1 ILE 17 1HG1 ILE 17 -3.996 0.137 -5.883 148 2HG1 ILE 17 2HG1 ILE 17 -4.180 1.743 -6.577 149 1HG2 ILE 17 1HG2 ILE 17 -1.362 2.696 -6.689 150 2HG2 ILE 17 2HG2 ILE 17 -2.755 3.541 -6.011 151 3HG2 ILE 17 3HG2 ILE 17 -1.300 3.321 -5.039 152 1HD1 ILE 17 1HD1 ILE 17 -1.817 1.065 -7.695 153 2HD1 ILE 17 2HD1 ILE 17 -2.511 -0.544 -7.495 154 3HD1 ILE 17 3HD1 ILE 17 -3.369 0.676 -8.436 155 H ALA 18 H ALA 18 -1.662 0.692 -2.420 156 HA ALA 18 HA ALA 18 0.439 2.546 -1.739 157 1HB ALA 18 1HB ALA 18 -1.446 0.702 -0.303 158 2HB ALA 18 2HB ALA 18 -0.099 1.388 0.604 159 3HB ALA 18 3HB ALA 18 -1.277 2.451 -0.165 160 H LYS 19 H LYS 19 0.226 -1.040 -1.661 161 HA LYS 19 HA LYS 19 2.730 -1.607 -0.437 162 1HB LYS 19 1HB LYS 19 0.627 -3.030 -1.554 163 2HB LYS 19 2HB LYS 19 1.961 -3.388 -2.649 164 1HG LYS 19 1HG LYS 19 3.331 -3.834 -0.482 165 2HG LYS 19 2HG LYS 19 1.759 -3.935 0.305 166 1HD LYS 19 1HD LYS 19 1.374 -5.987 -0.530 167 2HD LYS 19 2HD LYS 19 1.781 -5.469 -2.165 168 1HE LYS 19 1HE LYS 19 4.269 -5.549 -1.220 169 2HE LYS 19 2HE LYS 19 3.550 -6.693 -0.074 170 1HZ LYS 19 1HZ LYS 19 2.988 -6.925 -2.971 171 2HZ LYS 19 2HZ LYS 19 4.400 -7.588 -2.305 172 3HZ LYS 19 3HZ LYS 19 2.880 -8.111 -1.761 173 H ARG 20 H ARG 20 1.946 -0.705 -3.784 174 HA ARG 20 HA ARG 20 4.586 -1.242 -4.878 175 1HB ARG 20 1HB ARG 20 2.240 -1.044 -6.022 176 2HB ARG 20 2HB ARG 20 2.561 0.692 -6.005 177 1HG ARG 20 1HG ARG 20 4.591 0.405 -7.272 178 2HG ARG 20 2HG ARG 20 4.483 -1.349 -7.147 179 1HD ARG 20 1HD ARG 20 2.811 -1.505 -8.747 180 2HD ARG 20 2HD ARG 20 2.183 0.122 -8.411 181 HE ARG 20 HE ARG 20 4.915 -0.073 -9.552 182 1HH1 ARG 20 1HH1 ARG 20 2.933 2.332 -9.343 183 2HH1 ARG 20 2HH1 ARG 20 2.541 2.545 -11.011 184 1HH2 ARG 20 1HH2 ARG 20 3.835 -0.555 -11.968 185 2HH2 ARG 20 2HH2 ARG 20 3.058 0.886 -12.519 186 H SER 21 H SER 21 2.873 1.678 -3.675 187 HA SER 21 HA SER 21 5.004 3.540 -4.250 188 1HB SER 21 1HB SER 21 2.405 3.743 -3.429 189 2HB SER 21 2HB SER 21 3.240 4.023 -1.904 190 HG SER 21 HG SER 21 2.864 5.733 -3.852 191 H ILE 22 H ILE 22 4.148 1.591 -1.382 192 HA ILE 22 HA ILE 22 6.174 2.576 0.384 193 HB ILE 22 HB ILE 22 4.693 -0.069 0.152 194 1HG1 ILE 22 1HG1 ILE 22 4.369 1.919 2.374 195 2HG1 ILE 22 2HG1 ILE 22 3.639 2.282 0.811 196 1HG2 ILE 22 1HG2 ILE 22 6.792 0.811 2.109 197 2HG2 ILE 22 2HG2 ILE 22 5.430 -0.140 2.702 198 3HG2 ILE 22 3HG2 ILE 22 6.477 -0.793 1.445 199 1HD1 ILE 22 1HD1 ILE 22 2.628 -0.076 0.918 200 2HD1 ILE 22 2HD1 ILE 22 3.092 -0.074 2.619 201 3HD1 ILE 22 3HD1 ILE 22 1.951 1.127 2.015 202 H LYS 23 H LYS 23 6.208 0.040 -2.131 203 HA LYS 23 HA LYS 23 8.718 -1.163 -1.672 204 1HB LYS 23 1HB LYS 23 6.785 -1.518 -3.469 205 2HB LYS 23 2HB LYS 23 7.841 -0.520 -4.464 206 1HG LYS 23 1HG LYS 23 8.929 -2.433 -4.949 207 2HG LYS 23 2HG LYS 23 9.628 -2.294 -3.342 208 1HD LYS 23 1HD LYS 23 7.179 -3.885 -4.147 209 2HD LYS 23 2HD LYS 23 8.718 -4.523 -3.586 210 1HE LYS 23 1HE LYS 23 6.933 -2.752 -1.878 211 2HE LYS 23 2HE LYS 23 6.878 -4.515 -1.841 212 1HZ LYS 23 1HZ LYS 23 9.575 -3.514 -1.638 213 2HZ LYS 23 2HZ LYS 23 8.572 -2.934 -0.402 214 3HZ LYS 23 3HZ LYS 23 8.733 -4.607 -0.649 215 H THR 24 H THR 24 8.020 1.792 -3.596 216 HA THR 24 HA THR 24 10.824 2.240 -4.202 217 HB THR 24 HB THR 24 8.598 3.042 -5.388 218 HG1 THR 24 HG1 THR 24 10.206 3.724 -6.519 219 1HG2 THR 24 1HG2 THR 24 7.936 4.476 -3.363 220 2HG2 THR 24 2HG2 THR 24 9.256 5.544 -3.825 221 3HG2 THR 24 3HG2 THR 24 7.913 5.274 -4.934 222 H LEU 25 H LEU 25 8.673 3.237 -1.586 223 HA LEU 25 HA LEU 25 10.398 5.291 -0.493 224 1HB LEU 25 1HB LEU 25 7.820 4.204 -0.036 225 2HB LEU 25 2HB LEU 25 8.711 3.995 1.468 226 HG LEU 25 HG LEU 25 9.411 6.567 0.678 227 1HD1 LEU 25 1HD1 LEU 25 6.593 5.916 -0.151 228 2HD1 LEU 25 2HD1 LEU 25 6.989 7.527 0.445 229 3HD1 LEU 25 3HD1 LEU 25 7.801 6.893 -0.987 230 1HD2 LEU 25 1HD2 LEU 25 8.854 5.772 2.962 231 2HD2 LEU 25 2HD2 LEU 25 7.988 7.256 2.563 232 3HD2 LEU 25 3HD2 LEU 25 7.150 5.706 2.515 233 H GLU 26 H GLU 26 9.992 1.810 0.138 234 HA GLU 26 HA GLU 26 11.711 1.555 2.406 235 1HB GLU 26 1HB GLU 26 10.775 -0.251 0.171 236 2HB GLU 26 2HB GLU 26 11.865 -0.858 1.417 237 1HG GLU 26 1HG GLU 26 10.294 -0.470 3.144 238 2HG GLU 26 2HG GLU 26 9.319 0.592 2.133 239 H HIS 27 H HIS 27 12.385 1.076 -1.061 240 HA HIS 27 HA HIS 27 15.209 0.620 -0.811 241 1HB HIS 27 1HB HIS 27 13.332 1.368 -3.040 242 2HB HIS 27 2HB HIS 27 15.064 1.208 -3.323 243 HD1 HIS 27 HD1 HIS 27 15.922 -1.123 -3.697 244 HD2 HIS 27 HD2 HIS 27 12.179 -1.133 -1.863 245 HE1 HIS 27 HE1 HIS 27 15.196 -3.542 -3.563 246 H LYS 28 H LYS 28 13.501 3.611 -0.455 247 HA LYS 28 HA LYS 28 15.715 5.263 -1.494 248 1HB LYS 28 1HB LYS 28 13.002 5.591 -1.339 249 2HB LYS 28 2HB LYS 28 13.530 6.498 0.076 250 1HG LYS 28 1HG LYS 28 14.328 8.176 -1.191 251 2HG LYS 28 2HG LYS 28 15.249 7.062 -2.195 252 1HD LYS 28 1HD LYS 28 13.814 7.530 -3.859 253 2HD LYS 28 2HD LYS 28 12.596 6.621 -2.965 254 1HE LYS 28 1HE LYS 28 11.737 8.593 -1.921 255 2HE LYS 28 2HE LYS 28 13.130 9.559 -2.436 256 1HZ LYS 28 1HZ LYS 28 11.334 8.201 -4.376 257 2HZ LYS 28 2HZ LYS 28 11.077 9.787 -3.847 258 3HZ LYS 28 3HZ LYS 28 12.500 9.401 -4.685 259 H ARG 29 H ARG 29 14.105 4.721 1.684 260 HA ARG 29 HA ARG 29 16.138 6.221 3.123 261 1HB ARG 29 1HB ARG 29 14.938 5.461 5.118 262 2HB ARG 29 2HB ARG 29 13.831 6.090 3.907 263 1HG ARG 29 1HG ARG 29 13.984 3.367 3.310 264 2HG ARG 29 2HG ARG 29 14.004 3.407 5.069 265 1HD ARG 29 1HD ARG 29 11.955 4.877 3.377 266 2HD ARG 29 2HD ARG 29 11.686 3.284 4.103 267 HE ARG 29 HE ARG 29 12.553 4.832 6.240 268 1HH1 ARG 29 1HH2 ARG 29 9.838 3.783 6.347 269 2HH1 ARG 29 2HH2 ARG 29 8.849 5.200 6.300 270 1HH2 ARG 29 1HH1 ARG 29 11.399 7.252 5.095 271 2HH2 ARG 29 2HH1 ARG 29 9.742 7.186 5.583 272 H GLU 30 H GLU 30 15.827 2.799 2.270 273 HA GLU 30 HA GLU 30 17.556 1.644 4.215 274 1HB GLU 30 1HB GLU 30 16.424 0.970 1.593 275 2HB GLU 30 2HB GLU 30 18.008 0.253 1.847 276 1HG GLU 30 1HG GLU 30 17.201 -1.235 3.323 277 2HG GLU 30 2HG GLU 30 16.371 0.015 4.238 278 H ASN 31 H ASN 31 18.345 3.000 1.002 279 HA ASN 31 HA ASN 31 21.242 2.710 1.450 280 1HB ASN 31 1HB ASN 31 19.423 3.039 -0.751 281 2HB ASN 31 2HB ASN 31 20.664 4.284 -0.840 282 1HD2 ASN 31 2HD2 ASN 31 23.026 3.383 -0.534 283 2HD2 ASN 31 1HD2 ASN 31 23.340 1.871 -1.236 284 H ALA 32 H ALA 32 19.152 4.941 2.733 285 HA ALA 32 HA ALA 32 21.093 7.210 2.450 286 1HB ALA 32 1HB ALA 32 18.086 7.145 2.841 287 2HB ALA 32 2HB ALA 32 19.059 8.616 2.867 288 3HB ALA 32 3HB ALA 32 18.951 7.657 1.392 289 H LYS 33 H LYS 33 18.582 5.962 4.675 290 HA LYS 33 HA LYS 33 18.458 5.702 6.950 291 1HB LYS 33 1HB LYS 33 21.278 5.345 6.273 292 2HB LYS 33 2HB LYS 33 21.049 5.906 7.926 293 1HG LYS 33 1HG LYS 33 19.094 4.010 7.764 294 2HG LYS 33 2HG LYS 33 20.309 3.325 6.689 295 1HD LYS 33 1HD LYS 33 21.418 2.588 8.499 296 2HD LYS 33 2HD LYS 33 21.747 4.264 8.915 297 1HE LYS 33 1HE LYS 33 20.676 3.524 10.854 298 2HE LYS 33 2HE LYS 33 19.306 4.182 9.946 299 1HZ LYS 33 1HZ LYS 33 20.137 1.355 9.608 300 2HZ LYS 33 2HZ LYS 33 19.083 1.815 10.855 301 3HZ LYS 33 3HZ LYS 33 18.650 2.077 9.235 302 H GLU 34 H GLU 34 21.187 8.037 6.765 303 HA GLU 34 HA GLU 34 19.452 10.049 8.150 304 1HB GLU 34 1HB GLU 34 22.209 9.014 8.800 305 2HB GLU 34 2HB GLU 34 21.686 10.602 9.349 306 1HG GLU 34 1HG GLU 34 20.587 9.658 11.060 307 2HG GLU 34 2HG GLU 34 19.575 8.770 9.926 Start of MODEL 17 1 1H CYS 1 1H CYS 1 -26.489 -0.589 -0.114 2 2H CYS 1 2H CYS 1 -25.475 0.513 -0.906 3 3H CYS 1 3H CYS 1 -26.924 1.047 -0.198 4 HA CYS 1 HA CYS 1 -28.258 -0.070 -1.787 5 1HB CYS 1 1HB CYS 1 -25.910 1.515 -2.818 6 2HB CYS 1 2HB CYS 1 -27.166 0.948 -3.915 7 HG CYS 1 HG CYS 1 -28.825 2.534 -2.887 8 H ALA 2 H ALA 2 -24.866 -0.589 -2.923 9 HA ALA 2 HA ALA 2 -25.715 -3.276 -3.928 10 1HB ALA 2 1HB ALA 2 -25.031 -1.508 -5.556 11 2HB ALA 2 2HB ALA 2 -23.442 -1.465 -4.797 12 3HB ALA 2 3HB ALA 2 -23.987 -2.926 -5.617 13 H VAL 3 H VAL 3 -22.769 -3.943 -4.295 14 HA VAL 3 HA VAL 3 -22.333 -5.287 -1.781 15 HB VAL 3 HB VAL 3 -20.205 -5.968 -2.805 16 1HG1 VAL 3 1HG1 VAL 3 -22.522 -6.941 -3.411 17 2HG1 VAL 3 2HG1 VAL 3 -22.309 -6.109 -4.951 18 3HG1 VAL 3 3HG1 VAL 3 -21.151 -7.340 -4.446 19 1HG2 VAL 3 1HG2 VAL 3 -20.033 -3.637 -4.066 20 2HG2 VAL 3 2HG2 VAL 3 -19.347 -5.093 -4.785 21 3HG2 VAL 3 3HG2 VAL 3 -20.914 -4.495 -5.329 22 H GLU 4 H GLU 4 -21.479 -2.063 -2.745 23 HA GLU 4 HA GLU 4 -19.152 -1.825 -1.004 24 1HB GLU 4 1HB GLU 4 -20.906 0.206 -2.407 25 2HB GLU 4 2HB GLU 4 -19.379 0.584 -1.613 26 1HG GLU 4 1HG GLU 4 -18.331 0.073 -3.537 27 2HG GLU 4 2HG GLU 4 -18.795 -1.604 -3.271 28 H LEU 5 H LEU 5 -20.182 -2.712 0.876 29 HA LEU 5 HA LEU 5 -21.607 -0.676 2.549 30 1HB LEU 5 1HB LEU 5 -22.181 -3.599 2.905 31 2HB LEU 5 2HB LEU 5 -23.171 -2.218 3.330 32 HG LEU 5 HG LEU 5 -22.637 -2.984 0.450 33 1HD1 LEU 5 1HD1 LEU 5 -24.791 -3.974 2.329 34 2HD1 LEU 5 2HD1 LEU 5 -24.898 -4.094 0.573 35 3HD1 LEU 5 3HD1 LEU 5 -23.615 -4.939 1.437 36 1HD2 LEU 5 1HD2 LEU 5 -24.876 -1.438 1.811 37 2HD2 LEU 5 2HD2 LEU 5 -23.554 -0.718 0.888 38 3HD2 LEU 5 3HD2 LEU 5 -24.737 -1.744 0.080 39 H ARG 6 H ARG 6 -19.713 -3.710 2.501 40 HA ARG 6 HA ARG 6 -18.290 -2.831 4.973 41 1HB ARG 6 1HB ARG 6 -20.307 -4.490 5.200 42 2HB ARG 6 2HB ARG 6 -19.148 -5.679 4.605 43 1HG ARG 6 1HG ARG 6 -17.606 -5.142 6.415 44 2HG ARG 6 2HG ARG 6 -18.682 -3.867 6.989 45 1HD ARG 6 1HD ARG 6 -20.323 -6.142 6.838 46 2HD ARG 6 2HD ARG 6 -18.799 -6.725 7.530 47 HE ARG 6 HE ARG 6 -18.998 -4.748 9.148 48 1HH1 ARG 6 1HH2 ARG 6 -20.896 -7.055 9.726 49 2HH1 ARG 6 2HH2 ARG 6 -22.381 -6.218 10.013 50 1HH2 ARG 6 1HH1 ARG 6 -21.260 -3.237 8.577 51 2HH2 ARG 6 2HH1 ARG 6 -22.589 -4.024 9.354 52 H SER 7 H SER 7 -18.296 -5.159 2.206 53 HA SER 7 HA SER 7 -15.543 -5.961 2.611 54 1HB SER 7 1HB SER 7 -15.914 -6.879 0.234 55 2HB SER 7 2HB SER 7 -16.945 -7.491 1.514 56 HG SER 7 HG SER 7 -17.991 -6.792 -0.514 57 HA PRO 8 HA PRO 8 -13.801 -2.302 0.699 58 1HB PRO 8 1HB PRO 8 -11.179 -3.021 0.880 59 2HB PRO 8 2HB PRO 8 -12.124 -2.403 2.251 60 1HG PRO 8 1HG PRO 8 -11.328 -5.179 1.614 61 2HG PRO 8 2HG PRO 8 -11.515 -4.381 3.183 62 1HD PRO 8 1HD PRO 8 -13.341 -6.110 2.087 63 2HD PRO 8 2HD PRO 8 -13.711 -4.895 3.329 64 H GLY 9 H GLY 9 -14.001 -2.084 -1.486 65 1HA GLY 9 1HA GLY 9 -12.881 -4.164 -3.313 66 2HA GLY 9 2HA GLY 9 -14.141 -2.998 -3.750 67 H ILE 10 H ILE 10 -13.502 -0.672 -3.722 68 HA ILE 10 HA ILE 10 -11.083 -0.208 -5.207 69 HB ILE 10 HB ILE 10 -13.236 1.112 -5.294 70 1HG1 ILE 10 1HG1 ILE 10 -10.612 2.530 -4.792 71 2HG1 ILE 10 2HG1 ILE 10 -11.262 1.985 -6.334 72 1HG2 ILE 10 1HG2 ILE 10 -13.433 1.245 -2.735 73 2HG2 ILE 10 2HG2 ILE 10 -12.241 2.541 -2.826 74 3HG2 ILE 10 3HG2 ILE 10 -13.796 2.715 -3.639 75 1HD1 ILE 10 1HD1 ILE 10 -13.184 3.577 -6.014 76 2HD1 ILE 10 2HD1 ILE 10 -12.363 4.201 -4.586 77 3HD1 ILE 10 3HD1 ILE 10 -11.618 4.374 -6.175 78 H SER 11 H SER 11 -11.960 0.088 -1.785 79 HA SER 11 HA SER 11 -9.646 1.458 -0.815 80 1HB SER 11 1HB SER 11 -11.922 0.954 0.267 81 2HB SER 11 2HB SER 11 -11.308 -0.662 0.582 82 HG SER 11 HG SER 11 -9.682 0.272 1.830 83 H ARG 12 H ARG 12 -10.326 -2.013 -1.355 84 HA ARG 12 HA ARG 12 -7.806 -2.986 -0.298 85 1HB ARG 12 1HB ARG 12 -10.150 -4.023 -1.790 86 2HB ARG 12 2HB ARG 12 -8.638 -4.833 -2.190 87 1HG ARG 12 1HG ARG 12 -9.148 -4.361 0.701 88 2HG ARG 12 2HG ARG 12 -10.169 -5.561 -0.088 89 1HD ARG 12 1HD ARG 12 -7.294 -5.789 -0.763 90 2HD ARG 12 2HD ARG 12 -7.686 -6.113 0.934 91 HE ARG 12 HE ARG 12 -9.526 -7.421 -0.924 92 1HH1 ARG 12 1HH1 ARG 12 -8.648 -8.442 1.787 93 2HH1 ARG 12 2HH1 ARG 12 -7.651 -9.787 1.354 94 1HH2 ARG 12 1HH2 ARG 12 -7.317 -8.773 -1.973 95 2HH2 ARG 12 2HH2 ARG 12 -6.886 -9.975 -0.809 96 H PHE 13 H PHE 13 -9.004 -2.010 -3.500 97 HA PHE 13 HA PHE 13 -6.666 -2.628 -5.035 98 1HB PHE 13 1HB PHE 13 -8.449 -2.236 -6.413 99 2HB PHE 13 2HB PHE 13 -9.211 -1.139 -5.283 100 HD1 PHE 13 HD1 PHE 13 -6.610 -1.413 -7.932 101 HD2 PHE 13 HD2 PHE 13 -8.997 1.232 -5.531 102 HE1 PHE 13 HE1 PHE 13 -5.915 0.504 -9.343 103 HE2 PHE 13 HE2 PHE 13 -8.303 3.142 -6.940 104 HZ PHE 13 HZ PHE 13 -6.765 2.782 -8.845 105 H ARG 14 H ARG 14 -7.663 0.301 -3.223 106 HA ARG 14 HA ARG 14 -5.472 1.990 -3.970 107 1HB ARG 14 1HB ARG 14 -7.356 1.824 -1.607 108 2HB ARG 14 2HB ARG 14 -6.134 3.094 -1.725 109 1HG ARG 14 1HG ARG 14 -7.087 4.022 -3.656 110 2HG ARG 14 2HG ARG 14 -7.977 2.554 -4.041 111 1HD ARG 14 1HD ARG 14 -9.746 3.150 -2.749 112 2HD ARG 14 2HD ARG 14 -8.709 3.712 -1.423 113 HE ARG 14 HE ARG 14 -9.600 5.350 -3.718 114 1HH1 ARG 14 1HH2 ARG 14 -9.758 6.208 -0.837 115 2HH1 ARG 14 2HH2 ARG 14 -8.444 7.327 -0.715 116 1HH2 ARG 14 1HH1 ARG 14 -6.931 6.215 -3.665 117 2HH2 ARG 14 2HH1 ARG 14 -6.811 7.331 -2.348 118 H ARG 15 H ARG 15 -5.859 -0.449 -1.408 119 HA ARG 15 HA ARG 15 -3.429 0.041 0.030 120 1HB ARG 15 1HB ARG 15 -5.642 -1.691 0.142 121 2HB ARG 15 2HB ARG 15 -4.257 -2.756 -0.078 122 1HG ARG 15 1HG ARG 15 -4.545 -2.454 2.283 123 2HG ARG 15 2HG ARG 15 -3.122 -1.524 1.819 124 1HD ARG 15 1HD ARG 15 -4.371 0.549 1.855 125 2HD ARG 15 2HD ARG 15 -5.902 -0.321 2.082 126 HE ARG 15 HE ARG 15 -3.768 -0.736 4.109 127 1HH1 ARG 15 1HH1 ARG 15 -6.849 -1.379 4.130 128 2HH1 ARG 15 2HH1 ARG 15 -7.367 -0.241 5.326 129 1HH2 ARG 15 1HH2 ARG 15 -4.402 1.595 5.241 130 2HH2 ARG 15 2HH2 ARG 15 -5.973 1.462 5.953 131 H LYS 16 H LYS 16 -4.162 -1.933 -2.850 132 HA LYS 16 HA LYS 16 -1.549 -3.184 -3.027 133 1HB LYS 16 1HB LYS 16 -3.796 -3.901 -4.068 134 2HB LYS 16 2HB LYS 16 -3.517 -2.649 -5.274 135 1HG LYS 16 1HG LYS 16 -2.689 -4.677 -6.221 136 2HG LYS 16 2HG LYS 16 -1.270 -3.751 -5.737 137 1HD LYS 16 1HD LYS 16 -2.156 -5.379 -3.524 138 2HD LYS 16 2HD LYS 16 -1.967 -6.386 -4.955 139 1HE LYS 16 1HE LYS 16 0.317 -5.956 -5.133 140 2HE LYS 16 2HE LYS 16 0.200 -4.409 -4.274 141 1HZ LYS 16 1HZ LYS 16 -0.358 -5.609 -2.246 142 2HZ LYS 16 2HZ LYS 16 -0.217 -7.093 -3.059 143 3HZ LYS 16 3HZ LYS 16 1.147 -6.109 -2.835 144 H ILE 17 H ILE 17 -3.027 -0.250 -4.396 145 HA ILE 17 HA ILE 17 -0.787 0.497 -6.065 146 HB ILE 17 HB ILE 17 -3.367 1.623 -5.078 147 1HG1 ILE 17 1HG1 ILE 17 -3.456 2.327 -7.507 148 2HG1 ILE 17 2HG1 ILE 17 -1.892 1.544 -7.719 149 1HG2 ILE 17 1HG2 ILE 17 -1.133 3.447 -6.006 150 2HG2 ILE 17 2HG2 ILE 17 -2.838 3.899 -5.978 151 3HG2 ILE 17 3HG2 ILE 17 -2.001 3.527 -4.471 152 1HD1 ILE 17 1HD1 ILE 17 -2.904 -0.589 -6.882 153 2HD1 ILE 17 2HD1 ILE 17 -4.468 0.223 -6.822 154 3HD1 ILE 17 3HD1 ILE 17 -3.651 -0.005 -8.367 155 H ALA 18 H ALA 18 -1.781 1.213 -2.727 156 HA ALA 18 HA ALA 18 0.353 3.019 -2.040 157 1HB ALA 18 1HB ALA 18 -1.785 2.757 -0.793 158 2HB ALA 18 2HB ALA 18 -1.295 1.127 -0.328 159 3HB ALA 18 3HB ALA 18 -0.389 2.522 0.263 160 H LYS 19 H LYS 19 0.026 -0.542 -1.964 161 HA LYS 19 HA LYS 19 2.368 -1.168 -0.454 162 1HB LYS 19 1HB LYS 19 0.659 -2.533 -2.515 163 2HB LYS 19 2HB LYS 19 2.207 -3.268 -2.108 164 1HG LYS 19 1HG LYS 19 0.202 -2.451 0.000 165 2HG LYS 19 2HG LYS 19 0.196 -4.048 -0.738 166 1HD LYS 19 1HD LYS 19 1.776 -4.702 0.720 167 2HD LYS 19 2HD LYS 19 2.884 -3.532 0.011 168 1HE LYS 19 1HE LYS 19 2.855 -2.787 2.220 169 2HE LYS 19 2HE LYS 19 1.527 -1.822 1.551 170 1HZ LYS 19 1HZ LYS 19 1.167 -4.505 2.788 171 2HZ LYS 19 2HZ LYS 19 0.910 -3.036 3.605 172 3HZ LYS 19 3HZ LYS 19 -0.053 -3.449 2.274 173 H ARG 20 H ARG 20 1.875 -0.610 -3.951 174 HA ARG 20 HA ARG 20 4.638 -1.020 -4.723 175 1HB ARG 20 1HB ARG 20 2.110 0.042 -5.911 176 2HB ARG 20 2HB ARG 20 3.616 0.540 -6.679 177 1HG ARG 20 1HG ARG 20 4.196 -2.035 -6.504 178 2HG ARG 20 2HG ARG 20 2.441 -2.206 -6.431 179 1HD ARG 20 1HD ARG 20 2.259 -0.862 -8.538 180 2HD ARG 20 2HD ARG 20 4.032 -0.850 -8.639 181 HE ARG 20 HE ARG 20 3.834 -3.422 -8.556 182 1HH1 ARG 20 1HH1 ARG 20 0.808 -3.337 -8.379 183 2HH1 ARG 20 2HH1 ARG 20 0.353 -3.650 -10.018 184 1HH2 ARG 20 1HH2 ARG 20 3.534 -2.952 -11.283 185 2HH2 ARG 20 2HH2 ARG 20 1.923 -3.427 -11.689 186 H SER 21 H SER 21 2.678 1.851 -3.897 187 HA SER 21 HA SER 21 4.691 3.850 -4.384 188 1HB SER 21 1HB SER 21 2.202 3.753 -2.662 189 2HB SER 21 2HB SER 21 3.154 5.212 -2.910 190 HG SER 21 HG SER 21 1.504 3.786 -4.656 191 H ILE 22 H ILE 22 4.217 1.635 -1.699 192 HA ILE 22 HA ILE 22 6.003 3.237 0.062 193 HB ILE 22 HB ILE 22 3.949 1.075 0.409 194 1HG1 ILE 22 1HG1 ILE 22 4.409 3.473 2.158 195 2HG1 ILE 22 2HG1 ILE 22 3.673 3.677 0.569 196 1HG2 ILE 22 1HG2 ILE 22 6.208 1.687 2.324 197 2HG2 ILE 22 2HG2 ILE 22 4.667 1.031 2.875 198 3HG2 ILE 22 3HG2 ILE 22 5.662 0.113 1.747 199 1HD1 ILE 22 1HD1 ILE 22 2.546 1.486 2.211 200 2HD1 ILE 22 2HD1 ILE 22 2.256 3.117 2.816 201 3HD1 ILE 22 3HD1 ILE 22 1.728 2.672 1.193 202 H LYS 23 H LYS 23 5.811 0.039 -1.561 203 HA LYS 23 HA LYS 23 8.096 -1.134 -0.349 204 1HB LYS 23 1HB LYS 23 6.726 -1.502 -3.009 205 2HB LYS 23 2HB LYS 23 8.132 -2.465 -2.563 206 1HG LYS 23 1HG LYS 23 5.763 -2.223 -0.714 207 2HG LYS 23 2HG LYS 23 5.793 -3.427 -2.000 208 1HD LYS 23 1HD LYS 23 7.879 -4.363 -1.098 209 2HD LYS 23 2HD LYS 23 7.894 -3.145 0.176 210 1HE LYS 23 1HE LYS 23 5.470 -4.905 -0.151 211 2HE LYS 23 2HE LYS 23 6.899 -5.522 0.695 212 1HZ LYS 23 1HZ LYS 23 5.521 -2.955 1.337 213 2HZ LYS 23 2HZ LYS 23 5.388 -4.404 2.228 214 3HZ LYS 23 3HZ LYS 23 6.875 -3.602 2.138 215 H THR 24 H THR 24 8.049 0.509 -3.591 216 HA THR 24 HA THR 24 10.870 0.456 -3.958 217 HB THR 24 HB THR 24 8.746 2.416 -4.886 218 HG1 THR 24 HG1 THR 24 10.026 0.200 -6.132 219 1HG2 THR 24 1HG2 THR 24 11.675 2.269 -5.450 220 2HG2 THR 24 2HG2 THR 24 10.595 2.650 -6.790 221 3HG2 THR 24 3HG2 THR 24 10.619 3.676 -5.357 222 H LEU 25 H LEU 25 8.824 2.781 -2.224 223 HA LEU 25 HA LEU 25 10.871 4.724 -1.621 224 1HB LEU 25 1HB LEU 25 8.265 4.852 -1.501 225 2HB LEU 25 2HB LEU 25 8.448 4.105 0.082 226 HG LEU 25 HG LEU 25 10.273 6.373 -0.366 227 1HD1 LEU 25 1HD1 LEU 25 8.295 7.205 -1.592 228 2HD1 LEU 25 2HD1 LEU 25 7.286 6.869 -0.184 229 3HD1 LEU 25 3HD1 LEU 25 8.549 8.097 -0.093 230 1HD2 LEU 25 1HD2 LEU 25 9.640 5.027 1.790 231 2HD2 LEU 25 2HD2 LEU 25 9.839 6.774 1.902 232 3HD2 LEU 25 3HD2 LEU 25 8.223 6.075 1.822 233 H GLU 26 H GLU 26 9.619 1.838 0.024 234 HA GLU 26 HA GLU 26 11.450 2.119 2.308 235 1HB GLU 26 1HB GLU 26 9.167 0.334 1.515 236 2HB GLU 26 2HB GLU 26 10.246 -0.146 2.820 237 1HG GLU 26 1HG GLU 26 9.784 2.378 3.602 238 2HG GLU 26 2HG GLU 26 8.280 2.082 2.722 239 H HIS 27 H HIS 27 10.940 -1.160 1.226 240 HA HIS 27 HA HIS 27 12.446 -2.818 0.661 241 1HB HIS 27 1HB HIS 27 12.884 -0.536 -1.199 242 2HB HIS 27 2HB HIS 27 14.079 -1.823 -1.242 243 HD1 HIS 27 HD1 HIS 27 11.851 -4.140 -0.621 244 HD2 HIS 27 HD2 HIS 27 11.718 -1.264 -3.637 245 HE1 HIS 27 HE1 HIS 27 10.329 -5.056 -2.415 246 H LYS 28 H LYS 28 13.229 -0.940 2.905 247 HA LYS 28 HA LYS 28 15.908 -1.960 3.359 248 1HB LYS 28 1HB LYS 28 17.074 0.161 3.372 249 2HB LYS 28 2HB LYS 28 16.307 -0.059 1.808 250 1HG LYS 28 1HG LYS 28 14.360 1.341 2.781 251 2HG LYS 28 2HG LYS 28 15.487 1.782 4.058 252 1HD LYS 28 1HD LYS 28 16.252 3.405 2.708 253 2HD LYS 28 2HD LYS 28 16.938 2.145 1.683 254 1HE LYS 28 1HE LYS 28 15.165 2.224 0.163 255 2HE LYS 28 2HE LYS 28 14.029 2.856 1.366 256 1HZ LYS 28 1HZ LYS 28 16.357 4.357 0.288 257 2HZ LYS 28 2HZ LYS 28 14.752 4.555 -0.213 258 3HZ LYS 28 3HZ LYS 28 15.188 4.941 1.381 259 H ARG 29 H ARG 29 13.436 0.408 4.456 260 HA ARG 29 HA ARG 29 14.349 0.484 7.202 261 1HB ARG 29 1HB ARG 29 13.045 2.261 6.085 262 2HB ARG 29 2HB ARG 29 11.691 1.157 5.907 263 1HG ARG 29 1HG ARG 29 11.411 2.722 7.814 264 2HG ARG 29 2HG ARG 29 11.398 1.038 8.314 265 1HD ARG 29 1HD ARG 29 12.768 2.161 9.906 266 2HD ARG 29 2HD ARG 29 13.919 1.354 8.832 267 HE ARG 29 HE ARG 29 13.795 3.702 7.574 268 1HH1 ARG 29 1HH1 ARG 29 12.321 4.718 10.083 269 2HH1 ARG 29 2HH1 ARG 29 13.614 5.485 10.935 270 1HH2 ARG 29 1HH2 ARG 29 16.106 3.939 9.034 271 2HH2 ARG 29 2HH2 ARG 29 15.790 5.037 10.328 272 H GLU 30 H GLU 30 12.038 -1.497 5.414 273 HA GLU 30 HA GLU 30 10.512 -2.755 7.359 274 1HB GLU 30 1HB GLU 30 10.245 -4.491 5.712 275 2HB GLU 30 2HB GLU 30 10.417 -2.959 4.866 276 1HG GLU 30 1HG GLU 30 12.952 -3.575 4.762 277 2HG GLU 30 2HG GLU 30 12.409 -5.202 5.133 278 H ASN 31 H ASN 31 13.898 -3.522 6.528 279 HA ASN 31 HA ASN 31 13.979 -5.517 8.764 280 1HB ASN 31 1HB ASN 31 14.986 -5.403 5.988 281 2HB ASN 31 2HB ASN 31 16.143 -6.028 7.158 282 1HD2 ASN 31 2HD2 ASN 31 15.434 -7.948 8.477 283 2HD2 ASN 31 1HD2 ASN 31 14.228 -8.971 7.862 284 H ALA 32 H ALA 32 14.369 -2.538 8.962 285 HA ALA 32 HA ALA 32 17.181 -2.519 9.992 286 1HB ALA 32 1HB ALA 32 15.608 -0.511 8.375 287 2HB ALA 32 2HB ALA 32 17.002 -0.017 9.338 288 3HB ALA 32 3HB ALA 32 17.199 -1.190 8.034 289 H LYS 33 H LYS 33 14.222 -0.469 10.186 290 HA LYS 33 HA LYS 33 13.779 -0.946 12.998 291 1HB LYS 33 1HB LYS 33 14.629 1.122 13.895 292 2HB LYS 33 2HB LYS 33 15.928 0.371 12.989 293 1HG LYS 33 1HG LYS 33 15.603 1.885 11.133 294 2HG LYS 33 2HG LYS 33 14.124 2.528 11.842 295 1HD LYS 33 1HD LYS 33 16.689 2.670 13.398 296 2HD LYS 33 2HD LYS 33 16.385 3.844 12.123 297 1HE LYS 33 1HE LYS 33 14.766 4.926 13.324 298 2HE LYS 33 2HE LYS 33 14.113 3.421 13.993 299 1HZ LYS 33 1HZ LYS 33 16.719 4.607 14.810 300 2HZ LYS 33 2HZ LYS 33 15.272 4.798 15.676 301 3HZ LYS 33 3HZ LYS 33 15.945 3.256 15.495 302 H GLU 34 H GLU 34 12.611 1.601 13.621 303 HA GLU 34 HA GLU 34 10.285 1.615 11.746 304 1HB GLU 34 1HB GLU 34 10.613 2.532 14.626 305 2HB GLU 34 2HB GLU 34 9.108 2.578 13.714 306 1HG GLU 34 1HG GLU 34 10.270 -0.070 13.563 307 2HG GLU 34 2HG GLU 34 10.111 0.425 15.244 Start of MODEL 18 1 1H CYS 1 1H CYS 1 -21.227 0.528 2.983 2 2H CYS 1 2H CYS 1 -19.582 0.838 2.710 3 3H CYS 1 3H CYS 1 -20.759 1.721 1.871 4 HA CYS 1 HA CYS 1 -21.390 -0.099 0.547 5 1HB CYS 1 1HB CYS 1 -18.897 1.035 0.536 6 2HB CYS 1 2HB CYS 1 -18.494 -0.680 0.597 7 HG CYS 1 HG CYS 1 -18.936 -0.601 -1.843 8 H ALA 2 H ALA 2 -20.600 -2.471 -0.065 9 HA ALA 2 HA ALA 2 -20.060 -4.204 2.290 10 1HB ALA 2 1HB ALA 2 -22.519 -3.656 2.165 11 2HB ALA 2 2HB ALA 2 -22.552 -4.444 0.586 12 3HB ALA 2 3HB ALA 2 -22.155 -5.375 2.029 13 H VAL 3 H VAL 3 -18.350 -3.800 0.065 14 HA VAL 3 HA VAL 3 -18.767 -5.562 -2.119 15 HB VAL 3 HB VAL 3 -16.334 -5.409 -2.487 16 1HG1 VAL 3 1HG1 VAL 3 -18.050 -3.474 -2.893 17 2HG1 VAL 3 2HG1 VAL 3 -17.169 -2.672 -1.594 18 3HG1 VAL 3 3HG1 VAL 3 -16.323 -3.166 -3.060 19 1HG2 VAL 3 1HG2 VAL 3 -16.306 -4.022 0.214 20 2HG2 VAL 3 2HG2 VAL 3 -15.514 -5.546 -0.186 21 3HG2 VAL 3 3HG2 VAL 3 -14.958 -4.042 -0.918 22 H GLU 4 H GLU 4 -17.577 -6.212 1.081 23 HA GLU 4 HA GLU 4 -17.468 -9.154 0.529 24 1HB GLU 4 1HB GLU 4 -15.292 -7.760 0.845 25 2HB GLU 4 2HB GLU 4 -15.793 -7.596 2.523 26 1HG GLU 4 1HG GLU 4 -15.485 -9.846 2.983 27 2HG GLU 4 2HG GLU 4 -15.737 -10.337 1.310 28 H LEU 5 H LEU 5 -19.715 -7.497 1.335 29 HA LEU 5 HA LEU 5 -21.440 -7.362 2.831 30 1HB LEU 5 1HB LEU 5 -20.395 -9.966 2.929 31 2HB LEU 5 2HB LEU 5 -20.661 -9.518 4.608 32 HG LEU 5 HG LEU 5 -22.615 -10.624 3.397 33 1HD1 LEU 5 1HD1 LEU 5 -22.785 -9.295 5.518 34 2HD1 LEU 5 2HD1 LEU 5 -23.179 -7.882 4.542 35 3HD1 LEU 5 3HD1 LEU 5 -24.252 -9.280 4.541 36 1HD2 LEU 5 1HD2 LEU 5 -22.167 -8.936 1.369 37 2HD2 LEU 5 2HD2 LEU 5 -23.791 -9.520 1.733 38 3HD2 LEU 5 3HD2 LEU 5 -23.281 -7.924 2.284 39 H ARG 6 H ARG 6 -18.585 -6.256 3.563 40 HA ARG 6 HA ARG 6 -19.319 -4.767 5.895 41 1HB ARG 6 1HB ARG 6 -18.798 -7.337 6.539 42 2HB ARG 6 2HB ARG 6 -17.153 -6.714 6.533 43 1HG ARG 6 1HG ARG 6 -18.552 -4.759 7.918 44 2HG ARG 6 2HG ARG 6 -19.311 -6.256 8.460 45 1HD ARG 6 1HD ARG 6 -17.127 -7.178 9.090 46 2HD ARG 6 2HD ARG 6 -16.319 -5.712 8.495 47 HE ARG 6 HE ARG 6 -18.072 -5.849 10.889 48 1HH1 ARG 6 1HH2 ARG 6 -15.327 -4.840 11.186 49 2HH1 ARG 6 2HH2 ARG 6 -15.519 -3.125 11.110 50 1HH2 ARG 6 1HH1 ARG 6 -18.704 -3.300 9.689 51 2HH2 ARG 6 2HH1 ARG 6 -17.462 -2.237 10.251 52 H SER 7 H SER 7 -18.039 -4.296 3.255 53 HA SER 7 HA SER 7 -15.511 -3.018 4.182 54 1HB SER 7 1HB SER 7 -14.833 -5.187 3.470 55 2HB SER 7 2HB SER 7 -15.887 -5.135 2.071 56 HG SER 7 HG SER 7 -13.632 -4.734 1.645 57 HA PRO 8 HA PRO 8 -16.900 0.213 1.477 58 1HB PRO 8 1HB PRO 8 -14.537 1.487 1.016 59 2HB PRO 8 2HB PRO 8 -15.415 1.593 2.557 60 1HG PRO 8 1HG PRO 8 -13.049 -0.046 1.844 61 2HG PRO 8 2HG PRO 8 -13.431 0.793 3.357 62 1HD PRO 8 1HD PRO 8 -13.735 -1.880 3.006 63 2HD PRO 8 2HD PRO 8 -14.700 -0.920 4.150 64 H GLY 9 H GLY 9 -16.656 0.993 -0.757 65 1HA GLY 9 1HA GLY 9 -15.807 -1.128 -2.619 66 2HA GLY 9 2HA GLY 9 -16.750 0.302 -3.032 67 H ILE 10 H ILE 10 -14.251 -0.834 -4.220 68 HA ILE 10 HA ILE 10 -12.265 -0.204 -5.141 69 HB ILE 10 HB ILE 10 -14.159 1.538 -5.672 70 1HG1 ILE 10 1HG1 ILE 10 -11.878 0.691 -6.846 71 2HG1 ILE 10 2HG1 ILE 10 -12.974 1.867 -7.547 72 1HG2 ILE 10 1HG2 ILE 10 -12.136 3.196 -4.192 73 2HG2 ILE 10 2HG2 ILE 10 -13.099 3.866 -5.503 74 3HG2 ILE 10 3HG2 ILE 10 -13.897 3.214 -4.077 75 1HD1 ILE 10 1HD1 ILE 10 -10.580 2.626 -5.847 76 2HD1 ILE 10 2HD1 ILE 10 -10.531 2.519 -7.606 77 3HD1 ILE 10 3HD1 ILE 10 -11.579 3.700 -6.823 78 H SER 11 H SER 11 -12.464 0.303 -1.881 79 HA SER 11 HA SER 11 -9.933 1.865 -1.719 80 1HB SER 11 1HB SER 11 -12.101 2.270 -0.336 81 2HB SER 11 2HB SER 11 -11.577 0.877 0.601 82 HG SER 11 HG SER 11 -10.336 2.280 1.587 83 H ARG 12 H ARG 12 -11.212 -1.383 -1.034 84 HA ARG 12 HA ARG 12 -8.928 -2.343 0.405 85 1HB ARG 12 1HB ARG 12 -9.870 -4.565 -0.055 86 2HB ARG 12 2HB ARG 12 -11.118 -3.444 0.452 87 1HG ARG 12 1HG ARG 12 -12.267 -3.756 -1.453 88 2HG ARG 12 2HG ARG 12 -10.853 -3.424 -2.447 89 1HD ARG 12 1HD ARG 12 -10.306 -5.941 -1.377 90 2HD ARG 12 2HD ARG 12 -12.039 -6.002 -1.734 91 HE ARG 12 HE ARG 12 -9.884 -5.646 -3.712 92 1HH1 ARG 12 1HH1 ARG 12 -12.919 -6.911 -3.310 93 2HH1 ARG 12 2HH1 ARG 12 -13.579 -6.334 -4.800 94 1HH2 ARG 12 1HH2 ARG 12 -10.881 -4.254 -5.520 95 2HH2 ARG 12 2HH2 ARG 12 -12.422 -4.827 -6.054 96 H PHE 13 H PHE 13 -9.609 -2.066 -3.047 97 HA PHE 13 HA PHE 13 -7.303 -3.622 -3.915 98 1HB PHE 13 1HB PHE 13 -8.720 -3.646 -5.679 99 2HB PHE 13 2HB PHE 13 -9.678 -2.349 -5.002 100 HD1 PHE 13 HD1 PHE 13 -6.850 -3.189 -7.242 101 HD2 PHE 13 HD2 PHE 13 -9.371 -0.058 -5.718 102 HE1 PHE 13 HE1 PHE 13 -6.026 -1.662 -9.012 103 HE2 PHE 13 HE2 PHE 13 -8.548 1.466 -7.489 104 HZ PHE 13 HZ PHE 13 -6.875 0.665 -9.136 105 H ARG 14 H ARG 14 -7.988 -0.239 -3.152 106 HA ARG 14 HA ARG 14 -5.783 1.060 -4.365 107 1HB ARG 14 1HB ARG 14 -7.538 1.550 -1.986 108 2HB ARG 14 2HB ARG 14 -6.127 2.575 -2.218 109 1HG ARG 14 1HG ARG 14 -6.889 3.243 -4.414 110 2HG ARG 14 2HG ARG 14 -8.212 2.083 -4.356 111 1HD ARG 14 1HD ARG 14 -9.412 3.892 -3.628 112 2HD ARG 14 2HD ARG 14 -8.704 3.475 -2.061 113 HE ARG 14 HE ARG 14 -6.800 5.110 -3.352 114 1HH1 ARG 14 1HH1 ARG 14 -9.711 6.128 -4.116 115 2HH1 ARG 14 2HH1 ARG 14 -9.848 7.439 -3.002 116 1HH2 ARG 14 1HH2 ARG 14 -7.102 6.438 -1.093 117 2HH2 ARG 14 2HH2 ARG 14 -8.347 7.624 -1.270 118 H ARG 15 H ARG 15 -5.875 -0.999 -1.488 119 HA ARG 15 HA ARG 15 -3.493 -0.202 -0.161 120 1HB ARG 15 1HB ARG 15 -5.187 -2.645 -0.371 121 2HB ARG 15 2HB ARG 15 -3.554 -2.887 0.234 122 1HG ARG 15 1HG ARG 15 -4.454 -2.331 2.241 123 2HG ARG 15 2HG ARG 15 -4.289 -0.680 1.659 124 1HD ARG 15 1HD ARG 15 -6.543 -0.807 2.377 125 2HD ARG 15 2HD ARG 15 -6.661 -1.035 0.624 126 HE ARG 15 HE ARG 15 -7.047 -3.384 0.967 127 1HH1 ARG 15 1HH2 ARG 15 -8.616 -1.988 3.278 128 2HH1 ARG 15 2HH2 ARG 15 -8.265 -3.066 4.584 129 1HH2 ARG 15 1HH1 ARG 15 -5.649 -4.648 2.905 130 2HH2 ARG 15 2HH1 ARG 15 -6.569 -4.592 4.366 131 H LYS 16 H LYS 16 -3.979 -2.419 -2.923 132 HA LYS 16 HA LYS 16 -1.273 -3.329 -3.175 133 1HB LYS 16 1HB LYS 16 -3.438 -4.234 -4.213 134 2HB LYS 16 2HB LYS 16 -3.287 -2.947 -5.408 135 1HG LYS 16 1HG LYS 16 -0.870 -3.866 -5.744 136 2HG LYS 16 2HG LYS 16 -1.479 -5.311 -4.940 137 1HD LYS 16 1HD LYS 16 -2.407 -5.994 -6.866 138 2HD LYS 16 2HD LYS 16 -3.423 -4.556 -6.880 139 1HE LYS 16 1HE LYS 16 -2.279 -4.294 -8.895 140 2HE LYS 16 2HE LYS 16 -1.208 -3.398 -7.805 141 1HZ LYS 16 1HZ LYS 16 0.013 -5.521 -7.429 142 2HZ LYS 16 2HZ LYS 16 -0.916 -6.233 -8.656 143 3HZ LYS 16 3HZ LYS 16 0.121 -4.941 -9.023 144 H ILE 17 H ILE 17 -2.990 -0.486 -4.499 145 HA ILE 17 HA ILE 17 -0.904 0.448 -6.241 146 HB ILE 17 HB ILE 17 -3.007 2.013 -4.681 147 1HG1 ILE 17 1HG1 ILE 17 -3.120 1.068 -7.564 148 2HG1 ILE 17 2HG1 ILE 17 -3.867 0.182 -6.235 149 1HG2 ILE 17 1HG2 ILE 17 -1.029 3.295 -5.721 150 2HG2 ILE 17 2HG2 ILE 17 -1.703 2.830 -7.283 151 3HG2 ILE 17 3HG2 ILE 17 -2.650 3.819 -6.173 152 1HD1 ILE 17 1HD1 ILE 17 -4.847 2.682 -5.773 153 2HD1 ILE 17 2HD1 ILE 17 -4.708 2.706 -7.530 154 3HD1 ILE 17 3HD1 ILE 17 -5.679 1.463 -6.739 155 H ALA 18 H ALA 18 -1.685 1.076 -2.816 156 HA ALA 18 HA ALA 18 0.500 2.870 -2.272 157 1HB ALA 18 1HB ALA 18 -1.388 1.156 -0.665 158 2HB ALA 18 2HB ALA 18 -0.051 1.971 0.145 159 3HB ALA 18 3HB ALA 18 -1.263 2.914 -0.721 160 H LYS 19 H LYS 19 0.191 -0.685 -2.176 161 HA LYS 19 HA LYS 19 2.554 -1.395 -0.804 162 1HB LYS 19 1HB LYS 19 0.558 -2.617 -2.429 163 2HB LYS 19 2HB LYS 19 2.117 -3.130 -3.062 164 1HG LYS 19 1HG LYS 19 1.773 -3.169 -0.098 165 2HG LYS 19 2HG LYS 19 0.918 -4.395 -1.029 166 1HD LYS 19 1HD LYS 19 2.801 -5.540 -1.423 167 2HD LYS 19 2HD LYS 19 3.635 -4.103 -2.003 168 1HE LYS 19 1HE LYS 19 3.262 -4.734 0.946 169 2HE LYS 19 2HE LYS 19 4.710 -5.166 0.026 170 1HZ LYS 19 1HZ LYS 19 4.482 -2.622 -0.685 171 2HZ LYS 19 2HZ LYS 19 3.759 -2.535 0.850 172 3HZ LYS 19 3HZ LYS 19 5.348 -3.114 0.689 173 H ARG 20 H ARG 20 2.112 -0.358 -4.166 174 HA ARG 20 HA ARG 20 4.768 -0.918 -5.133 175 1HB ARG 20 1HB ARG 20 2.297 0.255 -6.047 176 2HB ARG 20 2HB ARG 20 3.623 1.331 -6.466 177 1HG ARG 20 1HG ARG 20 4.777 -0.919 -7.261 178 2HG ARG 20 2HG ARG 20 3.106 -1.477 -7.371 179 1HD ARG 20 1HD ARG 20 2.563 0.486 -8.812 180 2HD ARG 20 2HD ARG 20 4.268 0.969 -8.757 181 HE ARG 20 HE ARG 20 4.755 -1.357 -9.726 182 1HH1 ARG 20 1HH1 ARG 20 1.996 -2.404 -9.786 183 2HH1 ARG 20 2HH1 ARG 20 1.483 -2.069 -11.404 184 1HH2 ARG 20 1HH2 ARG 20 4.024 0.261 -11.973 185 2HH2 ARG 20 2HH2 ARG 20 2.652 -0.531 -12.664 186 H SER 21 H SER 21 3.242 2.081 -3.833 187 HA SER 21 HA SER 21 5.600 3.698 -4.045 188 1HB SER 21 1HB SER 21 4.370 5.290 -2.723 189 2HB SER 21 2HB SER 21 3.232 4.488 -3.791 190 HG SER 21 HG SER 21 2.497 3.301 -2.037 191 H ILE 22 H ILE 22 4.479 1.525 -1.470 192 HA ILE 22 HA ILE 22 6.384 2.360 0.533 193 HB ILE 22 HB ILE 22 4.887 -0.246 0.094 194 1HG1 ILE 22 1HG1 ILE 22 4.244 1.781 2.217 195 2HG1 ILE 22 2HG1 ILE 22 3.725 2.105 0.563 196 1HG2 ILE 22 1HG2 ILE 22 6.644 0.725 2.335 197 2HG2 ILE 22 2HG2 ILE 22 5.287 -0.345 2.687 198 3HG2 ILE 22 3HG2 ILE 22 6.567 -0.873 1.597 199 1HD1 ILE 22 1HD1 ILE 22 3.086 -0.414 2.126 200 2HD1 ILE 22 2HD1 ILE 22 1.976 0.929 1.854 201 3HD1 ILE 22 3HD1 ILE 22 2.537 -0.038 0.492 202 H LYS 23 H LYS 23 6.498 -0.057 -2.095 203 HA LYS 23 HA LYS 23 8.954 -1.338 -1.374 204 1HB LYS 23 1HB LYS 23 7.209 -2.026 -3.106 205 2HB LYS 23 2HB LYS 23 7.905 -0.803 -4.172 206 1HG LYS 23 1HG LYS 23 9.950 -1.932 -4.358 207 2HG LYS 23 2HG LYS 23 9.687 -2.852 -2.880 208 1HD LYS 23 1HD LYS 23 9.113 -4.531 -4.292 209 2HD LYS 23 2HD LYS 23 7.564 -3.692 -4.385 210 1HE LYS 23 1HE LYS 23 8.367 -2.436 -6.370 211 2HE LYS 23 2HE LYS 23 9.902 -3.323 -6.297 212 1HZ LYS 23 1HZ LYS 23 8.644 -5.411 -6.448 213 2HZ LYS 23 2HZ LYS 23 7.201 -4.532 -6.601 214 3HZ LYS 23 3HZ LYS 23 8.390 -4.422 -7.806 215 H THR 24 H THR 24 8.293 1.490 -3.479 216 HA THR 24 HA THR 24 11.068 2.051 -4.076 217 HB THR 24 HB THR 24 8.813 4.079 -4.005 218 HG1 THR 24 HG1 THR 24 7.801 2.918 -5.429 219 1HG2 THR 24 1HG2 THR 24 11.230 3.668 -5.776 220 2HG2 THR 24 2HG2 THR 24 9.989 4.889 -6.055 221 3HG2 THR 24 3HG2 THR 24 10.983 4.958 -4.601 222 H LEU 25 H LEU 25 8.762 3.219 -1.617 223 HA LEU 25 HA LEU 25 10.385 5.171 -0.319 224 1HB LEU 25 1HB LEU 25 7.920 4.834 -0.075 225 2HB LEU 25 2HB LEU 25 8.242 3.355 0.824 226 HG LEU 25 HG LEU 25 9.802 5.481 1.965 227 1HD1 LEU 25 1HD1 LEU 25 7.860 6.810 0.854 228 2HD1 LEU 25 2HD1 LEU 25 6.851 6.075 2.101 229 3HD1 LEU 25 3HD1 LEU 25 8.207 7.105 2.559 230 1HD2 LEU 25 1HD2 LEU 25 7.513 3.719 2.861 231 2HD2 LEU 25 2HD2 LEU 25 9.220 3.591 3.284 232 3HD2 LEU 25 3HD2 LEU 25 8.245 4.904 3.941 233 H GLU 26 H GLU 26 10.062 1.640 0.224 234 HA GLU 26 HA GLU 26 11.811 1.583 2.534 235 1HB GLU 26 1HB GLU 26 10.608 -0.426 0.638 236 2HB GLU 26 2HB GLU 26 11.802 -0.940 1.833 237 1HG GLU 26 1HG GLU 26 10.357 0.317 3.561 238 2HG GLU 26 2HG GLU 26 9.099 0.312 2.322 239 H HIS 27 H HIS 27 12.294 1.067 -0.963 240 HA HIS 27 HA HIS 27 14.941 0.099 -1.015 241 1HB HIS 27 1HB HIS 27 13.273 0.434 -2.906 242 2HB HIS 27 2HB HIS 27 13.740 2.132 -2.913 243 HD1 HIS 27 HD1 HIS 27 16.145 2.712 -3.717 244 HD2 HIS 27 HD2 HIS 27 15.227 -1.346 -3.945 245 HE1 HIS 27 HE1 HIS 27 17.960 1.646 -5.129 246 H LYS 28 H LYS 28 13.826 3.508 -0.858 247 HA LYS 28 HA LYS 28 16.608 4.465 -0.645 248 1HB LYS 28 1HB LYS 28 15.625 6.661 -0.813 249 2HB LYS 28 2HB LYS 28 14.880 5.611 -2.007 250 1HG LYS 28 1HG LYS 28 13.206 5.300 0.166 251 2HG LYS 28 2HG LYS 28 13.680 6.990 0.301 252 1HD LYS 28 1HD LYS 28 12.955 6.056 -2.425 253 2HD LYS 28 2HD LYS 28 11.637 6.142 -1.265 254 1HE LYS 28 1HE LYS 28 13.538 8.468 -1.599 255 2HE LYS 28 2HE LYS 28 12.141 8.271 -2.666 256 1HZ LYS 28 1HZ LYS 28 10.937 7.867 -0.354 257 2HZ LYS 28 2HZ LYS 28 12.215 8.837 0.203 258 3HZ LYS 28 3HZ LYS 28 11.159 9.422 -0.990 259 H ARG 29 H ARG 29 14.668 3.056 1.636 260 HA ARG 29 HA ARG 29 15.545 4.887 3.829 261 1HB ARG 29 1HB ARG 29 13.094 3.432 3.208 262 2HB ARG 29 2HB ARG 29 13.677 3.068 4.830 263 1HG ARG 29 1HG ARG 29 13.704 5.380 5.450 264 2HG ARG 29 2HG ARG 29 13.440 5.898 3.785 265 1HD ARG 29 1HD ARG 29 11.190 5.087 3.781 266 2HD ARG 29 2HD ARG 29 11.432 4.200 5.298 267 HE ARG 29 HE ARG 29 11.169 7.149 5.059 268 1HH1 ARG 29 1HH2 ARG 29 9.685 5.094 6.882 269 2HH1 ARG 29 2HH2 ARG 29 10.330 5.535 8.425 270 1HH2 ARG 29 1HH1 ARG 29 12.946 7.419 7.089 271 2HH2 ARG 29 2HH1 ARG 29 12.188 6.864 8.540 272 H GLU 30 H GLU 30 15.354 1.419 2.902 273 HA GLU 30 HA GLU 30 16.496 0.238 5.171 274 1HB GLU 30 1HB GLU 30 17.282 -1.531 3.546 275 2HB GLU 30 2HB GLU 30 15.579 -1.120 3.448 276 1HG GLU 30 1HG GLU 30 15.778 -0.429 1.308 277 2HG GLU 30 2HG GLU 30 17.217 0.524 1.654 278 H ASN 31 H ASN 31 18.172 2.011 2.614 279 HA ASN 31 HA ASN 31 20.824 1.415 3.847 280 1HB ASN 31 1HB ASN 31 20.238 1.098 1.377 281 2HB ASN 31 2HB ASN 31 20.167 2.853 1.267 282 1HD2 ASN 31 2HD2 ASN 31 22.123 3.672 0.453 283 2HD2 ASN 31 1HD2 ASN 31 23.657 3.036 0.808 284 H ALA 32 H ALA 32 18.744 3.334 5.007 285 HA ALA 32 HA ALA 32 20.473 5.757 5.207 286 1HB ALA 32 1HB ALA 32 18.586 5.898 3.466 287 2HB ALA 32 2HB ALA 32 17.475 5.853 4.836 288 3HB ALA 32 3HB ALA 32 18.635 7.173 4.683 289 H LYS 33 H LYS 33 19.266 7.239 6.996 290 HA LYS 33 HA LYS 33 18.598 5.453 9.312 291 1HB LYS 33 1HB LYS 33 20.068 8.084 9.047 292 2HB LYS 33 2HB LYS 33 19.460 7.518 10.602 293 1HG LYS 33 1HG LYS 33 20.692 5.302 10.052 294 2HG LYS 33 2HG LYS 33 21.556 6.250 8.841 295 1HD LYS 33 1HD LYS 33 22.275 7.835 10.589 296 2HD LYS 33 2HD LYS 33 21.420 6.883 11.804 297 1HE LYS 33 1HE LYS 33 22.873 4.976 11.441 298 2HE LYS 33 2HE LYS 33 23.647 5.772 10.058 299 1HZ LYS 33 1HZ LYS 33 23.652 6.798 12.852 300 2HZ LYS 33 2HZ LYS 33 24.962 6.052 12.073 301 3HZ LYS 33 3HZ LYS 33 24.394 7.544 11.516 302 H GLU 34 H GLU 34 17.987 8.817 8.168 303 HA GLU 34 HA GLU 34 15.241 8.642 9.343 304 1HB GLU 34 1HB GLU 34 17.153 10.921 8.770 305 2HB GLU 34 2HB GLU 34 15.455 11.199 9.140 306 1HG GLU 34 1HG GLU 34 15.669 10.202 11.312 307 2HG GLU 34 2HG GLU 34 17.277 9.585 10.941 Start of MODEL 19 1 1H CYS 1 1H CYS 1 -18.846 -18.198 6.095 2 2H CYS 1 2H CYS 1 -18.776 -18.582 7.749 3 3H CYS 1 3H CYS 1 -20.135 -17.792 7.121 4 HA CYS 1 HA CYS 1 -18.771 -16.192 8.299 5 1HB CYS 1 1HB CYS 1 -16.734 -17.715 7.863 6 2HB CYS 1 2HB CYS 1 -16.595 -16.878 6.318 7 HG CYS 1 HG CYS 1 -16.165 -14.656 7.584 8 H ALA 2 H ALA 2 -18.726 -14.018 7.515 9 HA ALA 2 HA ALA 2 -19.817 -13.645 4.765 10 1HB ALA 2 1HB ALA 2 -20.908 -12.827 6.940 11 2HB ALA 2 2HB ALA 2 -19.624 -11.621 6.997 12 3HB ALA 2 3HB ALA 2 -20.748 -11.647 5.639 13 H VAL 3 H VAL 3 -17.003 -14.176 4.858 14 HA VAL 3 HA VAL 3 -15.338 -11.869 4.973 15 HB VAL 3 HB VAL 3 -13.768 -13.202 3.590 16 1HG1 VAL 3 1HG1 VAL 3 -14.291 -13.536 6.133 17 2HG1 VAL 3 2HG1 VAL 3 -14.937 -15.088 5.600 18 3HG1 VAL 3 3HG1 VAL 3 -13.250 -14.682 5.288 19 1HG2 VAL 3 1HG2 VAL 3 -16.131 -15.098 3.372 20 2HG2 VAL 3 2HG2 VAL 3 -15.172 -14.408 2.065 21 3HG2 VAL 3 3HG2 VAL 3 -14.465 -15.618 3.132 22 H GLU 4 H GLU 4 -17.105 -13.239 2.202 23 HA GLU 4 HA GLU 4 -16.121 -11.328 0.285 24 1HB GLU 4 1HB GLU 4 -18.127 -12.155 -1.058 25 2HB GLU 4 2HB GLU 4 -16.970 -13.380 -0.560 26 1HG GLU 4 1HG GLU 4 -18.510 -14.462 0.699 27 2HG GLU 4 2HG GLU 4 -19.095 -12.969 1.423 28 H LEU 5 H LEU 5 -18.806 -11.308 2.506 29 HA LEU 5 HA LEU 5 -20.236 -9.035 1.430 30 1HB LEU 5 1HB LEU 5 -20.514 -10.930 3.522 31 2HB LEU 5 2HB LEU 5 -20.488 -9.351 4.302 32 HG LEU 5 HG LEU 5 -22.174 -8.674 2.416 33 1HD1 LEU 5 1HD1 LEU 5 -22.415 -11.698 2.455 34 2HD1 LEU 5 2HD1 LEU 5 -23.620 -10.613 1.764 35 3HD1 LEU 5 3HD1 LEU 5 -22.003 -10.691 1.068 36 1HD2 LEU 5 1HD2 LEU 5 -22.788 -10.435 4.802 37 2HD2 LEU 5 2HD2 LEU 5 -22.873 -8.676 4.701 38 3HD2 LEU 5 3HD2 LEU 5 -24.054 -9.666 3.845 39 H ARG 6 H ARG 6 -17.658 -9.439 3.846 40 HA ARG 6 HA ARG 6 -17.547 -6.642 4.644 41 1HB ARG 6 1HB ARG 6 -16.896 -8.726 5.954 42 2HB ARG 6 2HB ARG 6 -15.448 -8.794 4.954 43 1HG ARG 6 1HG ARG 6 -14.506 -6.950 5.936 44 2HG ARG 6 2HG ARG 6 -16.060 -6.172 6.231 45 1HD ARG 6 1HD ARG 6 -15.555 -8.694 7.740 46 2HD ARG 6 2HD ARG 6 -14.606 -7.276 8.222 47 HE ARG 6 HE ARG 6 -17.521 -6.857 7.868 48 1HH1 ARG 6 1HH1 ARG 6 -15.788 -4.919 9.324 49 2HH1 ARG 6 2HH1 ARG 6 -16.109 -5.297 10.980 50 1HH2 ARG 6 1HH2 ARG 6 -17.521 -8.408 10.242 51 2HH2 ARG 6 2HH2 ARG 6 -17.109 -7.308 11.510 52 H SER 7 H SER 7 -16.152 -8.470 1.987 53 HA SER 7 HA SER 7 -13.816 -6.875 1.496 54 1HB SER 7 1HB SER 7 -15.475 -8.865 0.003 55 2HB SER 7 2HB SER 7 -14.313 -7.907 -0.898 56 HG SER 7 HG SER 7 -13.934 -9.804 1.128 57 HA PRO 8 HA PRO 8 -16.094 -3.372 -0.179 58 1HB PRO 8 1HB PRO 8 -13.958 -1.707 -0.473 59 2HB PRO 8 2HB PRO 8 -14.762 -2.010 1.080 60 1HG PRO 8 1HG PRO 8 -12.190 -3.033 0.068 61 2HG PRO 8 2HG PRO 8 -12.704 -2.688 1.724 62 1HD PRO 8 1HD PRO 8 -12.546 -5.204 0.569 63 2HD PRO 8 2HD PRO 8 -13.429 -4.793 2.053 64 H GLY 9 H GLY 9 -12.905 -4.107 -1.727 65 1HA GLY 9 1HA GLY 9 -12.985 -5.017 -4.061 66 2HA GLY 9 2HA GLY 9 -14.246 -3.830 -4.389 67 H ILE 10 H ILE 10 -13.658 -1.575 -4.475 68 HA ILE 10 HA ILE 10 -11.157 -1.011 -5.745 69 HB ILE 10 HB ILE 10 -13.069 0.874 -4.338 70 1HG1 ILE 10 1HG1 ILE 10 -13.132 0.850 -7.254 71 2HG1 ILE 10 2HG1 ILE 10 -13.546 -0.733 -6.583 72 1HG2 ILE 10 1HG2 ILE 10 -10.588 1.315 -5.832 73 2HG2 ILE 10 2HG2 ILE 10 -11.953 2.233 -6.469 74 3HG2 ILE 10 3HG2 ILE 10 -11.482 2.410 -4.780 75 1HD1 ILE 10 1HD1 ILE 10 -14.755 1.841 -5.559 76 2HD1 ILE 10 2HD1 ILE 10 -15.512 0.859 -6.815 77 3HD1 ILE 10 3HD1 ILE 10 -15.267 0.195 -5.198 78 H SER 11 H SER 11 -12.277 -0.244 -2.416 79 HA SER 11 HA SER 11 -9.943 1.030 -1.504 80 1HB SER 11 1HB SER 11 -12.309 0.619 -0.422 81 2HB SER 11 2HB SER 11 -11.516 -0.772 0.302 82 HG SER 11 HG SER 11 -11.425 1.315 1.478 83 H ARG 12 H ARG 12 -10.658 -2.452 -1.693 84 HA ARG 12 HA ARG 12 -8.453 -3.465 -0.191 85 1HB ARG 12 1HB ARG 12 -10.580 -4.594 -1.236 86 2HB ARG 12 2HB ARG 12 -9.569 -4.791 -2.667 87 1HG ARG 12 1HG ARG 12 -8.573 -5.664 0.040 88 2HG ARG 12 2HG ARG 12 -9.627 -6.708 -0.909 89 1HD ARG 12 1HD ARG 12 -7.944 -6.267 -2.856 90 2HD ARG 12 2HD ARG 12 -6.834 -5.775 -1.562 91 HE ARG 12 HE ARG 12 -8.042 -8.486 -1.831 92 1HH1 ARG 12 1HH2 ARG 12 -5.123 -8.254 -1.985 93 2HH1 ARG 12 2HH2 ARG 12 -4.608 -8.581 -0.367 94 1HH2 ARG 12 1HH1 ARG 12 -7.764 -8.022 1.012 95 2HH2 ARG 12 2HH1 ARG 12 -6.124 -8.443 1.356 96 H PHE 13 H PHE 13 -8.793 -2.712 -3.677 97 HA PHE 13 HA PHE 13 -5.977 -3.284 -4.219 98 1HB PHE 13 1HB PHE 13 -6.807 -3.497 -6.306 99 2HB PHE 13 2HB PHE 13 -8.387 -3.165 -5.641 100 HD1 PHE 13 HD1 PHE 13 -5.403 -1.569 -7.254 101 HD2 PHE 13 HD2 PHE 13 -9.536 -1.206 -6.182 102 HE1 PHE 13 HE1 PHE 13 -5.591 0.472 -8.652 103 HE2 PHE 13 HE2 PHE 13 -9.729 0.835 -7.573 104 HZ PHE 13 HZ PHE 13 -7.761 1.674 -8.808 105 H ARG 14 H ARG 14 -7.894 -0.467 -3.382 106 HA ARG 14 HA ARG 14 -6.193 1.676 -4.141 107 1HB ARG 14 1HB ARG 14 -8.553 1.730 -3.244 108 2HB ARG 14 2HB ARG 14 -7.896 1.373 -1.650 109 1HG ARG 14 1HG ARG 14 -6.426 3.471 -2.005 110 2HG ARG 14 2HG ARG 14 -7.544 3.864 -3.313 111 1HD ARG 14 1HD ARG 14 -9.200 4.462 -1.871 112 2HD ARG 14 2HD ARG 14 -8.904 3.068 -0.817 113 HE ARG 14 HE ARG 14 -7.255 4.327 0.376 114 1HH1 ARG 14 1HH1 ARG 14 -5.897 5.744 -1.842 115 2HH1 ARG 14 2HH1 ARG 14 -6.384 7.388 -1.610 116 1HH2 ARG 14 1HH2 ARG 14 -9.051 6.562 0.483 117 2HH2 ARG 14 2HH2 ARG 14 -8.190 7.853 -0.278 118 H ARG 15 H ARG 15 -6.159 -0.461 -1.283 119 HA ARG 15 HA ARG 15 -4.082 0.872 0.200 120 1HB ARG 15 1HB ARG 15 -5.604 -1.635 0.266 121 2HB ARG 15 2HB ARG 15 -3.932 -1.875 0.759 122 1HG ARG 15 1HG ARG 15 -5.542 0.405 1.889 123 2HG ARG 15 2HG ARG 15 -5.669 -1.214 2.573 124 1HD ARG 15 1HD ARG 15 -3.379 -1.259 3.199 125 2HD ARG 15 2HD ARG 15 -2.986 0.136 2.177 126 HE ARG 15 HE ARG 15 -4.631 0.296 4.671 127 1HH1 ARG 15 1HH2 ARG 15 -1.946 1.458 4.807 128 2HH1 ARG 15 2HH2 ARG 15 -2.196 3.113 4.382 129 1HH2 ARG 15 1HH1 ARG 15 -5.333 2.541 2.966 130 2HH2 ARG 15 2HH1 ARG 15 -4.142 3.739 3.335 131 H LYS 16 H LYS 16 -4.070 -1.697 -2.259 132 HA LYS 16 HA LYS 16 -1.259 -2.279 -2.232 133 1HB LYS 16 1HB LYS 16 -3.304 -3.551 -3.231 134 2HB LYS 16 2HB LYS 16 -3.057 -2.519 -4.640 135 1HG LYS 16 1HG LYS 16 -0.704 -3.288 -4.782 136 2HG LYS 16 2HG LYS 16 -0.979 -4.350 -3.403 137 1HD LYS 16 1HD LYS 16 -1.571 -5.915 -4.909 138 2HD LYS 16 2HD LYS 16 -3.071 -5.013 -5.088 139 1HE LYS 16 1HE LYS 16 -0.813 -3.960 -6.693 140 2HE LYS 16 2HE LYS 16 -1.374 -5.574 -7.162 141 1HZ LYS 16 1HZ LYS 16 -3.675 -4.691 -7.118 142 2HZ LYS 16 2HZ LYS 16 -3.052 -3.138 -6.861 143 3HZ LYS 16 3HZ LYS 16 -2.700 -3.967 -8.302 144 H ILE 17 H ILE 17 -3.176 0.217 -3.910 145 HA ILE 17 HA ILE 17 -1.216 1.029 -5.837 146 HB ILE 17 HB ILE 17 -3.390 2.578 -4.374 147 1HG1 ILE 17 1HG1 ILE 17 -3.400 1.545 -7.221 148 2HG1 ILE 17 2HG1 ILE 17 -4.029 0.593 -5.876 149 1HG2 ILE 17 1HG2 ILE 17 -1.478 3.371 -6.534 150 2HG2 ILE 17 2HG2 ILE 17 -3.136 3.970 -6.630 151 3HG2 ILE 17 3HG2 ILE 17 -2.148 4.332 -5.217 152 1HD1 ILE 17 1HD1 ILE 17 -5.149 3.190 -5.623 153 2HD1 ILE 17 2HD1 ILE 17 -5.309 2.728 -7.315 154 3HD1 ILE 17 3HD1 ILE 17 -5.978 1.696 -6.055 155 H ALA 18 H ALA 18 -1.883 2.130 -2.497 156 HA ALA 18 HA ALA 18 0.343 3.988 -2.384 157 1HB ALA 18 1HB ALA 18 -1.689 2.816 -0.533 158 2HB ALA 18 2HB ALA 18 -0.220 3.447 0.211 159 3HB ALA 18 3HB ALA 18 -1.231 4.502 -0.776 160 H LYS 19 H LYS 19 -0.080 0.555 -1.476 161 HA LYS 19 HA LYS 19 2.406 0.178 -0.129 162 1HB LYS 19 1HB LYS 19 0.288 -1.375 -0.560 163 2HB LYS 19 2HB LYS 19 1.262 -1.943 -1.919 164 1HG LYS 19 1HG LYS 19 3.171 -2.226 -0.227 165 2HG LYS 19 2HG LYS 19 1.939 -2.038 1.022 166 1HD LYS 19 1HD LYS 19 0.651 -3.907 -0.113 167 2HD LYS 19 2HD LYS 19 2.075 -4.175 -1.117 168 1HE LYS 19 1HE LYS 19 2.676 -5.616 0.557 169 2HE LYS 19 2HE LYS 19 3.218 -4.140 1.373 170 1HZ LYS 19 1HZ LYS 19 0.436 -5.170 1.573 171 2HZ LYS 19 2HZ LYS 19 1.647 -5.556 2.690 172 3HZ LYS 19 3HZ LYS 19 1.158 -3.943 2.501 173 H ARG 20 H ARG 20 1.593 0.228 -3.594 174 HA ARG 20 HA ARG 20 4.047 -0.780 -4.658 175 1HB ARG 20 1HB ARG 20 1.706 -0.184 -5.720 176 2HB ARG 20 2HB ARG 20 2.446 1.394 -5.984 177 1HG ARG 20 1HG ARG 20 4.319 0.304 -7.192 178 2HG ARG 20 2HG ARG 20 3.541 -1.262 -6.961 179 1HD ARG 20 1HD ARG 20 1.578 -0.509 -8.245 180 2HD ARG 20 2HD ARG 20 2.320 1.086 -8.462 181 HE ARG 20 HE ARG 20 3.973 0.107 -9.909 182 1HH1 ARG 20 1HH2 ARG 20 1.423 -1.273 -10.865 183 2HH1 ARG 20 2HH2 ARG 20 1.947 -2.916 -10.985 184 1HH2 ARG 20 1HH1 ARG 20 4.826 -2.381 -9.076 185 2HH2 ARG 20 2HH1 ARG 20 3.914 -3.554 -9.959 186 H SER 21 H SER 21 3.036 2.537 -3.757 187 HA SER 21 HA SER 21 5.524 3.773 -4.632 188 1HB SER 21 1HB SER 21 3.023 4.585 -3.220 189 2HB SER 21 2HB SER 21 4.435 5.621 -3.044 190 HG SER 21 HG SER 21 4.161 6.225 -5.058 191 H ILE 22 H ILE 22 4.547 2.181 -1.646 192 HA ILE 22 HA ILE 22 6.776 3.411 -0.118 193 HB ILE 22 HB ILE 22 4.623 1.416 0.655 194 1HG1 ILE 22 1HG1 ILE 22 4.742 4.264 1.612 195 2HG1 ILE 22 2HG1 ILE 22 4.077 3.936 0.011 196 1HG2 ILE 22 1HG2 ILE 22 6.930 2.611 2.107 197 2HG2 ILE 22 2HG2 ILE 22 5.403 2.555 2.984 198 3HG2 ILE 22 3HG2 ILE 22 6.115 1.068 2.359 199 1HD1 ILE 22 1HD1 ILE 22 2.633 2.144 1.188 200 2HD1 ILE 22 2HD1 ILE 22 3.083 2.963 2.685 201 3HD1 ILE 22 3HD1 ILE 22 2.200 3.835 1.432 202 H LYS 23 H LYS 23 5.746 0.190 -1.299 203 HA LYS 23 HA LYS 23 7.811 -1.421 -0.237 204 1HB LYS 23 1HB LYS 23 5.751 -2.176 -1.393 205 2HB LYS 23 2HB LYS 23 6.406 -1.598 -2.921 206 1HG LYS 23 1HG LYS 23 8.349 -3.316 -1.674 207 2HG LYS 23 2HG LYS 23 6.790 -4.136 -1.696 208 1HD LYS 23 1HD LYS 23 6.572 -3.806 -4.084 209 2HD LYS 23 2HD LYS 23 8.028 -2.812 -4.124 210 1HE LYS 23 1HE LYS 23 8.517 -5.428 -2.893 211 2HE LYS 23 2HE LYS 23 7.942 -5.562 -4.562 212 1HZ LYS 23 1HZ LYS 23 9.609 -3.936 -5.239 213 2HZ LYS 23 2HZ LYS 23 10.178 -3.825 -3.645 214 3HZ LYS 23 3HZ LYS 23 10.335 -5.281 -4.504 215 H THR 24 H THR 24 7.779 0.473 -3.264 216 HA THR 24 HA THR 24 10.401 -0.317 -4.193 217 HB THR 24 HB THR 24 8.658 2.121 -4.742 218 HG1 THR 24 HG1 THR 24 7.529 0.756 -5.856 219 1HG2 THR 24 1HG2 THR 24 11.118 2.261 -5.465 220 2HG2 THR 24 2HG2 THR 24 10.746 0.940 -6.576 221 3HG2 THR 24 3HG2 THR 24 9.908 2.482 -6.726 222 H LEU 25 H LEU 25 9.151 2.432 -2.302 223 HA LEU 25 HA LEU 25 11.601 3.894 -1.998 224 1HB LEU 25 1HB LEU 25 8.879 4.083 -1.223 225 2HB LEU 25 2HB LEU 25 9.809 4.136 0.268 226 HG LEU 25 HG LEU 25 11.234 5.776 -1.511 227 1HD1 LEU 25 1HD1 LEU 25 8.243 6.079 -1.805 228 2HD1 LEU 25 2HD1 LEU 25 9.349 7.424 -2.083 229 3HD1 LEU 25 3HD1 LEU 25 9.460 5.971 -3.076 230 1HD2 LEU 25 1HD2 LEU 25 9.264 6.386 0.716 231 2HD2 LEU 25 2HD2 LEU 25 11.015 6.237 0.852 232 3HD2 LEU 25 3HD2 LEU 25 10.311 7.602 -0.015 233 H GLU 26 H GLU 26 9.963 1.510 0.085 234 HA GLU 26 HA GLU 26 11.770 1.427 2.273 235 1HB GLU 26 1HB GLU 26 9.912 -0.583 0.988 236 2HB GLU 26 2HB GLU 26 10.810 -0.953 2.460 237 1HG GLU 26 1HG GLU 26 9.145 1.553 2.272 238 2HG GLU 26 2HG GLU 26 8.403 0.009 2.692 239 H HIS 27 H HIS 27 11.787 -0.374 -0.798 240 HA HIS 27 HA HIS 27 13.898 -2.200 -0.353 241 1HB HIS 27 1HB HIS 27 12.384 -1.102 -2.571 242 2HB HIS 27 2HB HIS 27 14.071 -1.312 -3.027 243 HD1 HIS 27 HD1 HIS 27 14.546 -3.579 -3.940 244 HD2 HIS 27 HD2 HIS 27 11.451 -3.672 -1.136 245 HE1 HIS 27 HE1 HIS 27 13.766 -5.981 -3.811 246 H LYS 28 H LYS 28 14.075 1.092 -1.751 247 HA LYS 28 HA LYS 28 16.970 1.114 -1.941 248 1HB LYS 28 1HB LYS 28 14.770 3.166 -2.162 249 2HB LYS 28 2HB LYS 28 16.463 3.643 -2.227 250 1HG LYS 28 1HG LYS 28 16.176 3.264 -4.466 251 2HG LYS 28 2HG LYS 28 16.535 1.604 -3.995 252 1HD LYS 28 1HD LYS 28 14.150 1.107 -3.812 253 2HD LYS 28 2HD LYS 28 13.747 2.780 -4.193 254 1HE LYS 28 1HE LYS 28 14.291 2.541 -6.440 255 2HE LYS 28 2HE LYS 28 15.446 1.234 -6.131 256 1HZ LYS 28 1HZ LYS 28 12.668 0.704 -5.385 257 2HZ LYS 28 2HZ LYS 28 13.005 0.793 -7.044 258 3HZ LYS 28 3HZ LYS 28 13.836 -0.320 -6.070 259 H ARG 29 H ARG 29 14.710 1.947 0.650 260 HA ARG 29 HA ARG 29 16.432 3.653 2.168 261 1HB ARG 29 1HB ARG 29 13.957 3.330 2.465 262 2HB ARG 29 2HB ARG 29 14.295 1.753 3.172 263 1HG ARG 29 1HG ARG 29 13.981 3.425 4.934 264 2HG ARG 29 2HG ARG 29 15.640 2.832 4.943 265 1HD ARG 29 1HD ARG 29 15.241 5.192 3.212 266 2HD ARG 29 2HD ARG 29 14.947 5.499 4.934 267 HE ARG 29 HE ARG 29 17.450 4.107 4.064 268 1HH1 ARG 29 1HH2 ARG 29 17.672 7.062 3.908 269 2HH1 ARG 29 2HH2 ARG 29 18.223 7.494 5.489 270 1HH2 ARG 29 1HH1 ARG 29 17.316 4.431 6.905 271 2HH2 ARG 29 2HH1 ARG 29 18.018 5.981 7.213 272 H GLU 30 H GLU 30 15.917 0.093 2.415 273 HA GLU 30 HA GLU 30 18.121 -0.105 4.375 274 1HB GLU 30 1HB GLU 30 16.285 -2.137 3.061 275 2HB GLU 30 2HB GLU 30 17.500 -2.547 4.275 276 1HG GLU 30 1HG GLU 30 16.384 -0.687 5.707 277 2HG GLU 30 2HG GLU 30 15.027 -0.861 4.597 278 H ASN 31 H ASN 31 17.520 -0.944 0.962 279 HA ASN 31 HA ASN 31 20.326 -1.893 0.657 280 1HB ASN 31 1HB ASN 31 18.257 -3.183 -0.124 281 2HB ASN 31 2HB ASN 31 18.036 -1.921 -1.329 282 1HD2 ASN 31 2HD2 ASN 31 18.399 -3.612 -3.029 283 2HD2 ASN 31 1HD2 ASN 31 19.979 -4.126 -3.367 284 H ALA 32 H ALA 32 20.282 0.766 1.167 285 HA ALA 32 HA ALA 32 20.061 2.388 -1.264 286 1HB ALA 32 1HB ALA 32 19.994 2.805 1.501 287 2HB ALA 32 2HB ALA 32 21.461 3.623 0.961 288 3HB ALA 32 3HB ALA 32 19.903 4.034 0.244 289 H LYS 33 H LYS 33 22.667 0.668 0.349 290 HA LYS 33 HA LYS 33 24.873 0.301 -0.187 291 1HB LYS 33 1HB LYS 33 23.835 1.443 -2.777 292 2HB LYS 33 2HB LYS 33 25.519 0.981 -2.590 293 1HG LYS 33 1HG LYS 33 24.828 -1.081 -3.213 294 2HG LYS 33 2HG LYS 33 24.241 -1.220 -1.558 295 1HD LYS 33 1HD LYS 33 22.051 -0.953 -2.156 296 2HD LYS 33 2HD LYS 33 22.424 0.139 -3.485 297 1HE LYS 33 1HE LYS 33 23.349 -2.683 -3.797 298 2HE LYS 33 2HE LYS 33 21.605 -2.402 -3.892 299 1HZ LYS 33 1HZ LYS 33 22.146 -0.519 -5.452 300 2HZ LYS 33 2HZ LYS 33 23.730 -1.133 -5.535 301 3HZ LYS 33 3HZ LYS 33 22.429 -2.076 -6.061 302 H GLU 34 H GLU 34 26.982 1.415 -0.706 303 HA GLU 34 HA GLU 34 26.915 4.322 0.020 304 1HB GLU 34 1HB GLU 34 28.555 2.013 1.074 305 2HB GLU 34 2HB GLU 34 29.081 3.682 1.273 306 1HG GLU 34 1HG GLU 34 27.197 4.242 2.596 307 2HG GLU 34 2HG GLU 34 26.313 2.804 2.101
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