NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
643263 | 6pqg | 30631 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 2.269 1.026 -1.526 3 HB1 ALA 1 HB1 ALA 1 3.292 -1.710 -0.774 4 HB2 ALA 1 HB2 ALA 1 4.024 -0.604 -1.938 5 HB3 ALA 1 HB3 ALA 1 3.968 -0.175 -0.228 6 H CYS 2 H CYS 2 -0.294 0.415 -1.980 7 HA CYS 2 HA CYS 2 -0.151 -1.077 -4.446 8 HB2 CYS 2 HB2 CYS 2 -0.653 -2.706 -2.471 9 HB3 CYS 2 HB3 CYS 2 -2.259 -1.986 -2.513 10 H GLY 3 H GLY 3 -1.361 -0.071 -5.915 11 HA2 GLY 3 HA2 GLY 3 -2.873 2.219 -5.323 12 HA3 GLY 3 HA3 GLY 3 -2.900 1.351 -6.851 13 H DBB 4 H DBB 4 -3.734 -1.096 -5.138 14 HA DBB 4 HA DBB 4 -6.195 -0.590 -3.974 15 HB2 DBB 4 HB DBB 4 -4.982 -2.624 -3.769 16 HG1 DBB 4 HG21 DBB 4 -7.167 -2.739 -3.043 17 HG2 DBB 4 HG22 DBB 4 -6.959 -4.196 -4.015 18 HG3 DBB 4 HG23 DBB 4 -7.811 -2.802 -4.682 19 H GLY 5 H GLY 5 -5.578 -1.212 -7.447 20 HA2 GLY 5 HA2 GLY 5 -8.123 0.099 -8.008 21 HA3 GLY 5 HA3 GLY 5 -6.859 -0.265 -9.174 22 H ASP 6 H ASP 6 -8.305 -1.175 -10.643 23 HA ASP 6 HA ASP 6 -10.041 -3.332 -9.891 24 HB2 ASP 6 HB2 ASP 6 -10.288 -1.633 -11.853 25 HB3 ASP 6 HB3 ASP 6 -9.241 -2.750 -12.725 26 H GLY 7 H GLY 7 -9.647 -5.463 -9.897 27 HA2 GLY 7 HA2 GLY 7 -8.604 -7.478 -10.320 28 HA3 GLY 7 HA3 GLY 7 -7.629 -6.666 -11.536 29 H CYS 8 H CYS 8 -7.525 -5.105 -8.540 30 HA CYS 8 HA CYS 8 -4.793 -5.380 -8.182 31 HB2 CYS 8 HB2 CYS 8 -6.690 -3.888 -6.992 32 HB3 CYS 8 HB3 CYS 8 -6.428 -5.082 -5.725 33 H ALA 9 H ALA 9 -3.780 -6.338 -6.125 34 HA ALA 9 HA ALA 9 -4.545 -9.163 -6.024 35 HB1 ALA 9 HB1 ALA 9 -2.043 -8.131 -4.777 36 HB2 ALA 9 HB2 ALA 9 -2.356 -9.677 -5.566 37 HB3 ALA 9 HB3 ALA 9 -2.153 -8.218 -6.536 38 H LYS 10 H LYS 10 -4.996 -10.235 -4.133 39 HA LYS 10 HA LYS 10 -5.512 -8.520 -1.800 40 HB2 LYS 10 HB2 LYS 10 -7.146 -10.192 -1.107 41 HB3 LYS 10 HB3 LYS 10 -7.484 -9.644 -2.744 42 HG2 LYS 10 HG2 LYS 10 -6.961 -11.655 -3.679 43 HG3 LYS 10 HG3 LYS 10 -5.812 -12.073 -2.405 44 HD2 LYS 10 HD2 LYS 10 -8.730 -11.863 -1.779 45 HD3 LYS 10 HD3 LYS 10 -8.097 -13.318 -2.552 46 HE2 LYS 10 HE2 LYS 10 -6.320 -13.195 -0.633 47 HE3 LYS 10 HE3 LYS 10 -7.545 -12.211 0.166 48 HZ1 LYS 10 HZ1 LYS 10 -8.047 -14.929 -0.915 49 HZ2 LYS 10 HZ2 LYS 10 -9.098 -13.999 0.029 50 HZ3 LYS 10 HZ3 LYS 10 -7.671 -14.609 0.703 51 H DBB 11 H DBB 11 -5.031 -9.316 0.317 52 HA DBB 11 HA DBB 11 -3.491 -11.724 0.568 53 HB2 DBB 11 HB DBB 11 -5.028 -11.020 2.239 54 HG1 DBB 11 HG21 DBB 11 -3.097 -12.460 2.726 55 HG2 DBB 11 HG22 DBB 11 -3.737 -11.623 4.140 56 HG3 DBB 11 HG23 DBB 11 -2.257 -11.050 3.369 57 H CYS 12 H CYS 12 -1.268 -11.873 1.446 58 HA CYS 12 HA CYS 12 0.379 -9.589 1.700 59 HB2 CYS 12 HB2 CYS 12 0.726 -11.912 2.721 60 HB3 CYS 12 HB3 CYS 12 1.378 -12.381 1.154 61 H ALA 13 H ALA 13 0.197 -8.366 -0.187 62 HA ALA 13 HA ALA 13 2.119 -8.833 -2.170 63 HB1 ALA 13 HB1 ALA 13 0.544 -9.156 -4.118 64 HB2 ALA 13 HB2 ALA 13 0.771 -10.555 -3.067 65 HB3 ALA 13 HB3 ALA 13 -0.693 -9.580 -2.934 66 H ALA 14 H ALA 14 -0.892 -7.307 -1.294 67 HA ALA 14 HA ALA 14 0.062 -4.678 -1.788 68 HB1 ALA 14 HB1 ALA 14 -0.805 -5.544 -4.108 69 HB2 ALA 14 HB2 ALA 14 -2.371 -5.467 -3.308 70 H SER 15 H SER 15 -3.142 -6.269 -1.722 71 HA SER 15 HA SER 15 -4.427 -4.410 -0.140 72 HB2 SER 15 HB2 SER 15 -4.873 -7.401 -0.282 73 HB3 SER 15 HB3 SER 15 -5.992 -6.263 0.468 74 HG SER 15 HG SER 15 -6.705 -6.510 -1.589 75 H CYS 16 H CYS 16 -2.552 -7.238 0.870 76 HA CYS 16 HA CYS 16 -2.584 -6.176 3.619 77 HB2 CYS 16 HB2 CYS 16 -2.142 -9.079 2.960 78 HB3 CYS 16 HB3 CYS 16 -2.596 -8.360 4.502 79 H ALA 17 H ALA 17 -0.653 -6.609 4.891 80 HA ALA 17 HA ALA 17 1.747 -6.391 3.239 81 HB1 ALA 17 HB1 ALA 17 2.841 -5.541 5.215 82 HB2 ALA 17 HB2 ALA 17 1.314 -4.690 4.977 83 HB3 ALA 17 HB3 ALA 17 1.440 -5.949 6.206 84 H ALA 18 H ALA 18 0.070 -8.741 4.849 85 HA ALA 18 HA ALA 18 0.497 -10.935 5.321 86 HB1 ALA 18 HB1 ALA 18 3.401 -10.641 4.700 87 HB2 ALA 18 HB2 ALA 18 2.317 -12.007 4.457 88 H SER 19 H SER 19 3.539 -9.234 6.134 89 HA SER 19 HA SER 19 3.871 -10.558 8.596 90 HB2 SER 19 HB2 SER 19 5.662 -9.351 7.278 91 HB3 SER 19 HB3 SER 19 4.990 -7.840 7.890 92 HG SER 19 HG SER 19 6.630 -9.603 9.114 Start of MODEL 2 1 H1 ALA 1 H ALA 1 4.753 0.545 -4.687 2 HA ALA 1 HA ALA 1 2.532 0.149 -2.985 3 HB1 ALA 1 HB1 ALA 1 3.568 2.342 -3.908 4 HB2 ALA 1 HB2 ALA 1 2.465 2.085 -5.261 5 HB3 ALA 1 HB3 ALA 1 1.829 2.255 -3.625 6 H CYS 2 H CYS 2 0.813 -1.091 -3.293 7 HA CYS 2 HA CYS 2 0.275 -2.326 -5.816 8 HB2 CYS 2 HB2 CYS 2 -0.146 -3.203 -3.380 9 HB3 CYS 2 HB3 CYS 2 -1.679 -2.353 -3.545 10 H GLY 3 H GLY 3 -1.374 0.121 -3.838 11 HA2 GLY 3 HA2 GLY 3 -2.521 1.983 -4.738 12 HA3 GLY 3 HA3 GLY 3 -2.649 1.133 -6.271 13 H DBB 4 H DBB 4 -3.554 -1.320 -4.709 14 HA DBB 4 HA DBB 4 -5.902 -0.766 -3.343 15 HB2 DBB 4 HB DBB 4 -4.809 -2.877 -3.374 16 HG1 DBB 4 HG21 DBB 4 -6.972 -2.882 -2.533 17 HG2 DBB 4 HG22 DBB 4 -6.873 -4.309 -3.565 18 HG3 DBB 4 HG23 DBB 4 -7.691 -2.856 -4.142 19 H GLY 5 H GLY 5 -5.548 -1.177 -6.887 20 HA2 GLY 5 HA2 GLY 5 -8.038 0.324 -7.177 21 HA3 GLY 5 HA3 GLY 5 -6.864 0.003 -8.445 22 H ASP 6 H ASP 6 -8.361 -0.750 -9.923 23 HA ASP 6 HA ASP 6 -10.210 -2.843 -9.254 24 HB2 ASP 6 HB2 ASP 6 -10.978 -2.682 -11.478 25 HB3 ASP 6 HB3 ASP 6 -10.516 -1.038 -11.046 26 H GLY 7 H GLY 7 -9.985 -4.994 -9.487 27 HA2 GLY 7 HA2 GLY 7 -9.065 -7.030 -10.053 28 HA3 GLY 7 HA3 GLY 7 -8.090 -6.195 -11.253 29 H CYS 8 H CYS 8 -7.775 -4.853 -8.166 30 HA CYS 8 HA CYS 8 -5.050 -5.341 -7.951 31 HB2 CYS 8 HB2 CYS 8 -6.780 -3.766 -6.616 32 HB3 CYS 8 HB3 CYS 8 -6.555 -5.033 -5.414 33 H ALA 9 H ALA 9 -4.065 -6.453 -5.937 34 HA ALA 9 HA ALA 9 -4.999 -9.226 -5.974 35 HB1 ALA 9 HB1 ALA 9 -2.835 -9.879 -5.385 36 HB2 ALA 9 HB2 ALA 9 -2.591 -8.529 -6.495 37 HB3 ALA 9 HB3 ALA 9 -2.426 -8.283 -4.756 38 H LYS 10 H LYS 10 -4.412 -10.406 -3.797 39 HA LYS 10 HA LYS 10 -5.292 -8.774 -1.519 40 HB2 LYS 10 HB2 LYS 10 -6.840 -10.502 -0.801 41 HB3 LYS 10 HB3 LYS 10 -7.250 -9.974 -2.428 42 HG2 LYS 10 HG2 LYS 10 -6.406 -11.947 -3.393 43 HG3 LYS 10 HG3 LYS 10 -5.576 -12.411 -1.905 44 HD2 LYS 10 HD2 LYS 10 -7.528 -13.090 -0.872 45 HD3 LYS 10 HD3 LYS 10 -8.545 -12.073 -1.896 46 HE2 LYS 10 HE2 LYS 10 -7.820 -13.592 -3.817 47 HE3 LYS 10 HE3 LYS 10 -7.222 -14.686 -2.571 48 HZ1 LYS 10 HZ1 LYS 10 -10.022 -13.723 -2.813 49 HZ2 LYS 10 HZ2 LYS 10 -9.442 -14.798 -1.643 50 HZ3 LYS 10 HZ3 LYS 10 -9.469 -15.255 -3.271 51 H DBB 11 H DBB 11 -4.797 -9.726 0.581 52 HA DBB 11 HA DBB 11 -3.024 -11.991 0.618 53 HB2 DBB 11 HB DBB 11 -4.647 -11.636 2.319 54 HG1 DBB 11 HG21 DBB 11 -2.543 -12.884 2.682 55 HG2 DBB 11 HG22 DBB 11 -3.333 -12.325 4.157 56 HG3 DBB 11 HG23 DBB 11 -1.919 -11.472 3.534 57 H CYS 12 H CYS 12 -0.818 -11.971 1.602 58 HA CYS 12 HA CYS 12 0.541 -9.495 1.984 59 HB2 CYS 12 HB2 CYS 12 1.085 -11.699 3.113 60 HB3 CYS 12 HB3 CYS 12 1.817 -12.203 1.593 61 H ALA 13 H ALA 13 0.300 -8.357 0.032 62 HA ALA 13 HA ALA 13 2.409 -8.606 -1.794 63 HB1 ALA 13 HB1 ALA 13 0.914 -9.141 -3.827 64 HB2 ALA 13 HB2 ALA 13 1.468 -10.471 -2.809 65 HB3 ALA 13 HB3 ALA 13 -0.177 -9.857 -2.640 66 H ALA 14 H ALA 14 -0.838 -7.488 -1.185 67 HA ALA 14 HA ALA 14 -0.168 -4.775 -1.875 68 HB1 ALA 14 HB1 ALA 14 -1.635 -6.406 -3.746 69 HB2 ALA 14 HB2 ALA 14 -2.698 -5.224 -2.990 70 H SER 15 H SER 15 -3.174 -6.655 -1.402 71 HA SER 15 HA SER 15 -4.449 -4.772 0.196 72 HB2 SER 15 HB2 SER 15 -4.772 -7.780 0.132 73 HB3 SER 15 HB3 SER 15 -5.876 -6.684 0.963 74 HG SER 15 HG SER 15 -6.809 -6.779 -0.952 75 H CYS 16 H CYS 16 -3.054 -7.835 1.383 76 HA CYS 16 HA CYS 16 -2.797 -6.662 4.039 77 HB2 CYS 16 HB2 CYS 16 -2.022 -9.474 3.305 78 HB3 CYS 16 HB3 CYS 16 -2.561 -8.850 4.861 79 H ALA 17 H ALA 17 -0.833 -6.674 5.217 80 HA ALA 17 HA ALA 17 1.502 -6.258 3.525 81 HB1 ALA 17 HB1 ALA 17 2.511 -5.214 5.443 82 HB2 ALA 17 HB2 ALA 17 0.874 -4.589 5.246 83 HB3 ALA 17 HB3 ALA 17 1.214 -5.792 6.490 84 H ALA 18 H ALA 18 0.155 -8.746 5.250 85 HA ALA 18 HA ALA 18 0.856 -10.857 5.770 86 HB1 ALA 18 HB1 ALA 18 3.693 -10.296 5.086 87 HB2 ALA 18 HB2 ALA 18 2.718 -11.738 4.825 88 H SER 19 H SER 19 3.677 -8.758 6.438 89 HA SER 19 HA SER 19 4.871 -8.398 8.342 90 HB2 SER 19 HB2 SER 19 3.654 -7.637 10.147 91 HB3 SER 19 HB3 SER 19 2.405 -7.597 8.903 92 HG SER 19 HG SER 19 1.391 -8.774 10.346 Start of MODEL 3 1 H1 ALA 1 H ALA 1 3.477 -2.328 -4.990 2 HA ALA 1 HA ALA 1 1.878 -0.427 -3.431 3 HB1 ALA 1 HB1 ALA 1 3.536 0.924 -4.564 4 HB2 ALA 1 HB2 ALA 1 3.124 0.179 -6.109 5 HB3 ALA 1 HB3 ALA 1 1.947 1.198 -5.280 6 H CYS 2 H CYS 2 -0.129 -1.182 -3.524 7 HA CYS 2 HA CYS 2 -1.070 -2.387 -6.040 8 HB2 CYS 2 HB2 CYS 2 -1.266 -3.243 -3.316 9 HB3 CYS 2 HB3 CYS 2 -2.888 -2.929 -3.926 10 H GLY 3 H GLY 3 -2.571 -1.341 -7.171 11 HA2 GLY 3 HA2 GLY 3 -3.480 1.210 -6.580 12 HA3 GLY 3 HA3 GLY 3 -4.253 0.122 -7.723 13 H DBB 4 H DBB 4 -4.749 -1.856 -5.521 14 HA DBB 4 HA DBB 4 -6.270 -0.756 -3.492 15 HB2 DBB 4 HB DBB 4 -5.567 -3.025 -3.595 16 HG1 DBB 4 HG21 DBB 4 -7.105 -3.589 -2.123 17 HG2 DBB 4 HG22 DBB 4 -8.406 -3.536 -3.314 18 HG3 DBB 4 HG23 DBB 4 -7.866 -2.051 -2.528 19 H GLY 5 H GLY 5 -7.523 -1.749 -6.720 20 HA2 GLY 5 HA2 GLY 5 -10.166 -0.835 -6.143 21 HA3 GLY 5 HA3 GLY 5 -9.248 0.379 -7.021 22 H ASP 6 H ASP 6 -7.713 -1.497 -8.579 23 HA ASP 6 HA ASP 6 -9.486 -3.206 -10.022 24 HB2 ASP 6 HB2 ASP 6 -9.172 -1.845 -12.199 25 HB3 ASP 6 HB3 ASP 6 -10.406 -1.321 -11.057 26 H GLY 7 H GLY 7 -7.501 -4.362 -9.201 27 HA2 GLY 7 HA2 GLY 7 -5.952 -5.586 -10.835 28 HA3 GLY 7 HA3 GLY 7 -5.213 -4.003 -11.024 29 H CYS 8 H CYS 8 -6.430 -5.437 -8.035 30 HA CYS 8 HA CYS 8 -3.658 -5.543 -7.043 31 HB2 CYS 8 HB2 CYS 8 -4.785 -5.019 -4.762 32 HB3 CYS 8 HB3 CYS 8 -4.506 -3.700 -5.894 33 H ALA 9 H ALA 9 -3.189 -7.154 -5.490 34 HA ALA 9 HA ALA 9 -4.934 -9.489 -5.708 35 HB1 ALA 9 HB1 ALA 9 -2.107 -9.268 -4.682 36 HB2 ALA 9 HB2 ALA 9 -3.015 -10.765 -4.899 37 HB3 ALA 9 HB3 ALA 9 -2.586 -9.783 -6.300 38 H LYS 10 H LYS 10 -4.542 -10.956 -3.571 39 HA LYS 10 HA LYS 10 -5.358 -9.262 -1.301 40 HB2 LYS 10 HB2 LYS 10 -6.587 -11.382 -0.541 41 HB3 LYS 10 HB3 LYS 10 -7.280 -10.477 -1.881 42 HG2 LYS 10 HG2 LYS 10 -5.422 -12.503 -2.791 43 HG3 LYS 10 HG3 LYS 10 -6.730 -13.184 -1.822 44 HD2 LYS 10 HD2 LYS 10 -7.309 -11.216 -4.006 45 HD3 LYS 10 HD3 LYS 10 -7.063 -12.925 -4.376 46 HE2 LYS 10 HE2 LYS 10 -8.894 -13.560 -2.976 47 HE3 LYS 10 HE3 LYS 10 -9.051 -11.920 -2.346 48 HZ1 LYS 10 HZ1 LYS 10 -9.256 -12.129 -5.220 49 HZ2 LYS 10 HZ2 LYS 10 -10.215 -11.266 -4.125 50 HZ3 LYS 10 HZ3 LYS 10 -10.495 -12.915 -4.377 51 H DBB 11 H DBB 11 -4.781 -10.015 0.829 52 HA DBB 11 HA DBB 11 -2.891 -12.179 1.016 53 HB2 DBB 11 HB DBB 11 -4.540 -11.808 2.688 54 HG1 DBB 11 HG21 DBB 11 -3.230 -12.359 4.531 55 HG2 DBB 11 HG22 DBB 11 -1.872 -11.386 3.963 56 HG3 DBB 11 HG23 DBB 11 -2.309 -12.873 3.119 57 H CYS 12 H CYS 12 -0.698 -11.965 2.019 58 HA CYS 12 HA CYS 12 0.517 -9.396 2.232 59 HB2 CYS 12 HB2 CYS 12 1.175 -11.485 3.512 60 HB3 CYS 12 HB3 CYS 12 1.948 -12.048 2.033 61 H ALA 13 H ALA 13 0.234 -8.406 0.209 62 HA ALA 13 HA ALA 13 2.366 -8.657 -1.587 63 HB1 ALA 13 HB1 ALA 13 1.672 -10.528 -2.653 64 HB2 ALA 13 HB2 ALA 13 -0.019 -10.285 -2.216 65 HB3 ALA 13 HB3 ALA 13 0.689 -9.368 -3.546 66 H ALA 14 H ALA 14 -0.941 -7.689 -1.060 67 HA ALA 14 HA ALA 14 -0.429 -4.999 -1.939 68 HB1 ALA 14 HB1 ALA 14 -1.763 -6.832 -3.710 69 HB2 ALA 14 HB2 ALA 14 -2.923 -5.697 -3.026 70 H SER 15 H SER 15 -3.324 -7.015 -1.349 71 HA SER 15 HA SER 15 -4.716 -5.103 0.113 72 HB2 SER 15 HB2 SER 15 -5.740 -7.156 -0.812 73 HB3 SER 15 HB3 SER 15 -4.893 -8.113 0.403 74 HG SER 15 HG SER 15 -6.637 -7.744 1.527 75 H CYS 16 H CYS 16 -3.152 -7.993 1.504 76 HA CYS 16 HA CYS 16 -2.985 -6.635 4.078 77 HB2 CYS 16 HB2 CYS 16 -2.046 -9.439 3.536 78 HB3 CYS 16 HB3 CYS 16 -2.629 -8.746 5.046 79 H ALA 17 H ALA 17 -1.031 -6.463 5.265 80 HA ALA 17 HA ALA 17 1.288 -6.024 3.557 81 HB1 ALA 17 HB1 ALA 17 2.228 -4.817 5.426 82 HB2 ALA 17 HB2 ALA 17 0.574 -4.273 5.142 83 HB3 ALA 17 HB3 ALA 17 0.924 -5.370 6.478 84 H ALA 18 H ALA 18 0.072 -8.461 5.449 85 HA ALA 18 HA ALA 18 0.887 -10.489 6.114 86 HB1 ALA 18 HB1 ALA 18 3.693 -9.826 5.401 87 HB2 ALA 18 HB2 ALA 18 2.793 -11.329 5.225 88 H SER 19 H SER 19 3.581 -8.191 6.636 89 HA SER 19 HA SER 19 3.182 -8.441 9.520 90 HB2 SER 19 HB2 SER 19 4.824 -10.188 8.922 91 HB3 SER 19 HB3 SER 19 5.849 -8.960 8.181 92 HG SER 19 HG SER 19 5.635 -9.662 10.776 Start of MODEL 4 1 H1 ALA 1 H ALA 1 4.576 0.939 -2.378 2 HA ALA 1 HA ALA 1 2.468 -0.404 -1.311 3 HB1 ALA 1 HB1 ALA 1 1.494 2.044 -2.479 4 HB2 ALA 1 HB2 ALA 1 1.779 1.642 -0.785 5 HB3 ALA 1 HB3 ALA 1 3.095 2.273 -1.775 6 H CYS 2 H CYS 2 0.338 -0.901 -1.951 7 HA CYS 2 HA CYS 2 0.135 -1.764 -4.704 8 HB2 CYS 2 HB2 CYS 2 -0.660 -3.011 -2.547 9 HB3 CYS 2 HB3 CYS 2 -2.093 -2.001 -2.709 10 H GLY 3 H GLY 3 -0.763 -0.622 -6.282 11 HA2 GLY 3 HA2 GLY 3 -1.849 1.940 -5.923 12 HA3 GLY 3 HA3 GLY 3 -1.980 0.978 -7.387 13 H DBB 4 H DBB 4 -3.305 -1.124 -5.502 14 HA DBB 4 HA DBB 4 -5.720 0.024 -4.639 15 HB2 DBB 4 HB DBB 4 -4.860 -2.045 -3.845 16 HG1 DBB 4 HG21 DBB 4 -6.871 -2.752 -3.228 17 HG2 DBB 4 HG22 DBB 4 -7.427 -2.977 -4.887 18 HG3 DBB 4 HG23 DBB 4 -7.428 -1.366 -4.165 19 H GLY 5 H GLY 5 -4.984 -1.551 -7.777 20 HA2 GLY 5 HA2 GLY 5 -6.944 0.071 -9.074 21 HA3 GLY 5 HA3 GLY 5 -6.013 -1.224 -9.812 22 H ASP 6 H ASP 6 -8.266 -1.358 -10.856 23 HA ASP 6 HA ASP 6 -10.370 -2.537 -9.329 24 HB2 ASP 6 HB2 ASP 6 -9.909 -2.297 -12.305 25 HB3 ASP 6 HB3 ASP 6 -11.361 -3.007 -11.604 26 H GLY 7 H GLY 7 -7.464 -3.746 -10.449 27 HA2 GLY 7 HA2 GLY 7 -8.527 -6.504 -10.400 28 HA3 GLY 7 HA3 GLY 7 -7.212 -6.013 -11.457 29 H CYS 8 H CYS 8 -7.161 -4.564 -8.376 30 HA CYS 8 HA CYS 8 -4.654 -5.489 -7.672 31 HB2 CYS 8 HB2 CYS 8 -6.579 -3.793 -6.546 32 HB3 CYS 8 HB3 CYS 8 -6.265 -5.010 -5.313 33 H ALA 9 H ALA 9 -4.017 -6.893 -5.873 34 HA ALA 9 HA ALA 9 -5.560 -9.374 -5.931 35 HB1 ALA 9 HB1 ALA 9 -3.578 -10.470 -5.162 36 HB2 ALA 9 HB2 ALA 9 -3.124 -9.377 -6.470 37 HB3 ALA 9 HB3 ALA 9 -2.805 -8.928 -4.795 38 H LYS 10 H LYS 10 -4.803 -10.592 -3.617 39 HA LYS 10 HA LYS 10 -5.680 -8.829 -1.442 40 HB2 LYS 10 HB2 LYS 10 -7.201 -10.603 -0.616 41 HB3 LYS 10 HB3 LYS 10 -7.692 -9.955 -2.176 42 HG2 LYS 10 HG2 LYS 10 -7.878 -12.084 -2.799 43 HG3 LYS 10 HG3 LYS 10 -6.116 -12.068 -2.900 44 HD2 LYS 10 HD2 LYS 10 -5.866 -13.108 -0.830 45 HD3 LYS 10 HD3 LYS 10 -7.499 -12.681 -0.312 46 HE2 LYS 10 HE2 LYS 10 -7.494 -15.012 -0.794 47 HE3 LYS 10 HE3 LYS 10 -8.365 -14.209 -2.099 48 HZ1 LYS 10 HZ1 LYS 10 -6.161 -14.242 -3.319 49 HZ2 LYS 10 HZ2 LYS 10 -6.952 -15.726 -3.145 50 HZ3 LYS 10 HZ3 LYS 10 -5.636 -15.348 -2.151 51 H DBB 11 H DBB 11 -5.153 -9.614 0.694 52 HA DBB 11 HA DBB 11 -3.514 -11.956 0.919 53 HB2 DBB 11 HB DBB 11 -5.035 -11.299 2.624 54 HG1 DBB 11 HG21 DBB 11 -2.254 -11.191 3.706 55 HG2 DBB 11 HG22 DBB 11 -3.005 -12.654 3.066 56 HG3 DBB 11 HG23 DBB 11 -3.687 -11.858 4.486 57 H CYS 12 H CYS 12 -1.266 -12.019 1.736 58 HA CYS 12 HA CYS 12 0.297 -9.662 1.922 59 HB2 CYS 12 HB2 CYS 12 0.745 -11.949 2.989 60 HB3 CYS 12 HB3 CYS 12 1.396 -12.424 1.423 61 H ALA 13 H ALA 13 -0.052 -8.529 -0.024 62 HA ALA 13 HA ALA 13 1.875 -8.986 -2.031 63 HB1 ALA 13 HB1 ALA 13 -0.948 -9.534 -2.933 64 HB2 ALA 13 HB2 ALA 13 0.518 -9.593 -3.912 65 HB3 ALA 13 HB3 ALA 13 0.262 -10.782 -2.635 66 H ALA 14 H ALA 14 -1.148 -7.496 -1.123 67 HA ALA 14 HA ALA 14 -0.248 -4.859 -1.678 68 HB1 ALA 14 HB1 ALA 14 -1.266 -5.936 -3.934 69 HB2 ALA 14 HB2 ALA 14 -2.750 -5.532 -3.077 70 H SER 15 H SER 15 -3.389 -6.563 -1.478 71 HA SER 15 HA SER 15 -4.708 -4.688 0.065 72 HB2 SER 15 HB2 SER 15 -5.792 -6.635 -1.031 73 HB3 SER 15 HB3 SER 15 -5.087 -7.690 0.194 74 HG SER 15 HG SER 15 -7.296 -6.967 0.595 75 H CYS 16 H CYS 16 -2.810 -7.486 1.150 76 HA CYS 16 HA CYS 16 -2.803 -6.328 3.860 77 HB2 CYS 16 HB2 CYS 16 -2.223 -9.217 3.240 78 HB3 CYS 16 HB3 CYS 16 -2.669 -8.497 4.784 79 H ALA 17 H ALA 17 -0.823 -6.775 5.131 80 HA ALA 17 HA ALA 17 1.536 -6.402 3.435 81 HB1 ALA 17 HB1 ALA 17 2.610 -5.452 5.357 82 HB2 ALA 17 HB2 ALA 17 1.011 -4.723 5.193 83 HB3 ALA 17 HB3 ALA 17 1.291 -5.971 6.408 84 H ALA 18 H ALA 18 -0.001 -8.812 5.105 85 HA ALA 18 HA ALA 18 0.538 -10.978 5.592 86 HB1 ALA 18 HB1 ALA 18 3.410 -10.566 4.905 87 HB2 ALA 18 HB2 ALA 18 2.379 -11.977 4.691 88 H SER 19 H SER 19 3.518 -9.133 6.313 89 HA SER 19 HA SER 19 4.147 -10.392 8.687 90 HB2 SER 19 HB2 SER 19 4.630 -7.446 8.419 91 HB3 SER 19 HB3 SER 19 5.701 -8.702 9.041 92 HG SER 19 HG SER 19 5.757 -7.683 6.661 Start of MODEL 5 1 H1 ALA 1 H ALA 1 1.582 -0.359 1.403 2 HA ALA 1 HA ALA 1 1.482 1.103 -0.499 3 HB1 ALA 1 HB1 ALA 1 3.656 -0.908 -1.059 4 HB2 ALA 1 HB2 ALA 1 3.618 0.788 -1.543 5 HB3 ALA 1 HB3 ALA 1 3.762 0.361 0.162 6 H CYS 2 H CYS 2 -0.634 -0.474 -1.055 7 HA CYS 2 HA CYS 2 -0.184 -1.278 -3.855 8 HB2 CYS 2 HB2 CYS 2 -0.834 -3.065 -2.041 9 HB3 CYS 2 HB3 CYS 2 -2.450 -2.396 -2.247 10 H GLY 3 H GLY 3 -1.446 -0.367 -5.377 11 HA2 GLY 3 HA2 GLY 3 -2.995 1.915 -4.740 12 HA3 GLY 3 HA3 GLY 3 -2.905 1.140 -6.314 13 H DBB 4 H DBB 4 -3.788 -1.407 -4.738 14 HA DBB 4 HA DBB 4 -6.344 -0.995 -3.753 15 HB2 DBB 4 HB DBB 4 -5.095 -3.003 -3.507 16 HG1 DBB 4 HG21 DBB 4 -7.346 -3.158 -2.972 17 HG2 DBB 4 HG22 DBB 4 -6.992 -4.616 -3.901 18 HG3 DBB 4 HG23 DBB 4 -7.831 -3.263 -4.664 19 H GLY 5 H GLY 5 -5.455 -1.539 -7.183 20 HA2 GLY 5 HA2 GLY 5 -7.990 -0.277 -7.902 21 HA3 GLY 5 HA3 GLY 5 -6.625 -0.551 -8.974 22 H ASP 6 H ASP 6 -7.826 -1.501 -10.600 23 HA ASP 6 HA ASP 6 -9.570 -3.723 -10.070 24 HB2 ASP 6 HB2 ASP 6 -8.539 -2.484 -12.623 25 HB3 ASP 6 HB3 ASP 6 -9.614 -3.880 -12.601 26 H GLY 7 H GLY 7 -9.119 -5.846 -10.131 27 HA2 GLY 7 HA2 GLY 7 -7.970 -7.811 -10.534 28 HA3 GLY 7 HA3 GLY 7 -6.864 -6.907 -11.557 29 H CYS 8 H CYS 8 -7.097 -5.376 -8.611 30 HA CYS 8 HA CYS 8 -4.461 -5.733 -7.876 31 HB2 CYS 8 HB2 CYS 8 -6.484 -4.197 -6.952 32 HB3 CYS 8 HB3 CYS 8 -6.377 -5.374 -5.647 33 H ALA 9 H ALA 9 -3.672 -6.746 -5.803 34 HA ALA 9 HA ALA 9 -4.687 -9.499 -5.662 35 HB1 ALA 9 HB1 ALA 9 -1.998 -8.346 -4.938 36 HB2 ALA 9 HB2 ALA 9 -2.467 -10.025 -4.668 37 HB3 ALA 9 HB3 ALA 9 -2.381 -9.387 -6.310 38 H LYS 10 H LYS 10 -5.158 -10.478 -3.709 39 HA LYS 10 HA LYS 10 -5.549 -8.628 -1.460 40 HB2 LYS 10 HB2 LYS 10 -7.244 -10.174 -0.662 41 HB3 LYS 10 HB3 LYS 10 -7.569 -9.743 -2.336 42 HG2 LYS 10 HG2 LYS 10 -6.884 -11.841 -3.126 43 HG3 LYS 10 HG3 LYS 10 -6.088 -12.247 -1.603 44 HD2 LYS 10 HD2 LYS 10 -8.066 -13.482 -1.538 45 HD3 LYS 10 HD3 LYS 10 -8.436 -12.056 -0.567 46 HE2 LYS 10 HE2 LYS 10 -10.303 -12.363 -1.966 47 HE3 LYS 10 HE3 LYS 10 -9.389 -11.041 -2.689 48 HZ1 LYS 10 HZ1 LYS 10 -8.551 -13.561 -3.710 49 HZ2 LYS 10 HZ2 LYS 10 -9.118 -12.203 -4.543 50 HZ3 LYS 10 HZ3 LYS 10 -10.213 -13.342 -3.938 51 H DBB 11 H DBB 11 -5.191 -9.448 0.724 52 HA DBB 11 HA DBB 11 -3.727 -11.852 1.103 53 HB2 DBB 11 HB DBB 11 -5.159 -10.917 2.754 54 HG1 DBB 11 HG21 DBB 11 -3.407 -12.463 3.361 55 HG2 DBB 11 HG22 DBB 11 -3.785 -11.366 4.690 56 HG3 DBB 11 HG23 DBB 11 -2.332 -11.114 3.721 57 H CYS 12 H CYS 12 -1.490 -12.142 1.787 58 HA CYS 12 HA CYS 12 0.328 -9.978 1.925 59 HB2 CYS 12 HB2 CYS 12 0.690 -12.144 3.064 60 HB3 CYS 12 HB3 CYS 12 0.912 -12.916 1.497 61 H ALA 13 H ALA 13 -0.008 -8.814 -0.022 62 HA ALA 13 HA ALA 13 1.812 -9.463 -2.088 63 HB1 ALA 13 HB1 ALA 13 0.081 -11.067 -2.717 64 HB2 ALA 13 HB2 ALA 13 -1.102 -9.762 -2.807 65 HB3 ALA 13 HB3 ALA 13 0.253 -9.803 -3.935 66 H ALA 14 H ALA 14 -1.006 -7.652 -1.091 67 HA ALA 14 HA ALA 14 0.152 -5.122 -1.578 68 HB1 ALA 14 HB1 ALA 14 -0.642 -5.785 -3.935 69 HB2 ALA 14 HB2 ALA 14 -2.250 -5.805 -3.219 70 H SER 15 H SER 15 -3.196 -6.375 -1.653 71 HA SER 15 HA SER 15 -4.417 -4.473 -0.143 72 HB2 SER 15 HB2 SER 15 -5.479 -6.504 -1.241 73 HB3 SER 15 HB3 SER 15 -5.033 -7.410 0.204 74 HG SER 15 HG SER 15 -6.368 -6.121 1.415 75 H CYS 16 H CYS 16 -2.583 -7.247 1.054 76 HA CYS 16 HA CYS 16 -2.703 -6.071 3.755 77 HB2 CYS 16 HB2 CYS 16 -2.178 -8.973 3.099 78 HB3 CYS 16 HB3 CYS 16 -2.485 -8.274 4.685 79 H ALA 17 H ALA 17 -0.834 -5.645 4.803 80 HA ALA 17 HA ALA 17 1.534 -5.248 3.433 81 HB1 ALA 17 HB1 ALA 17 2.430 -4.556 5.420 82 HB2 ALA 17 HB2 ALA 17 0.713 -4.481 5.815 83 HB3 ALA 17 HB3 ALA 17 1.679 -5.860 6.341 84 H ALA 18 H ALA 18 0.295 -8.125 4.847 85 HA ALA 18 HA ALA 18 0.967 -10.308 4.747 86 HB1 ALA 18 HB1 ALA 18 2.280 -9.256 2.547 87 HB2 ALA 18 HB2 ALA 18 3.583 -9.810 3.594 88 H SER 19 H SER 19 3.903 -8.298 5.132 89 HA SER 19 HA SER 19 5.058 -10.004 7.073 90 HB2 SER 19 HB2 SER 19 6.407 -8.468 5.713 91 HB3 SER 19 HB3 SER 19 5.632 -7.088 6.491 92 HG SER 19 HG SER 19 7.661 -8.690 7.385 Start of MODEL 6 1 H1 ALA 1 H ALA 1 3.040 -1.543 0.322 2 HA ALA 1 HA ALA 1 1.056 0.154 -0.072 3 HB1 ALA 1 HB1 ALA 1 2.491 1.627 -1.252 4 HB2 ALA 1 HB2 ALA 1 3.515 0.679 -0.173 5 HB3 ALA 1 HB3 ALA 1 3.449 0.291 -1.892 6 H CYS 2 H CYS 2 -0.690 -1.049 -1.036 7 HA CYS 2 HA CYS 2 -0.554 -1.124 -3.980 8 HB2 CYS 2 HB2 CYS 2 -1.266 -3.166 -2.148 9 HB3 CYS 2 HB3 CYS 2 -2.744 -2.677 -2.971 10 H GLY 3 H GLY 3 -2.055 -0.025 -5.125 11 HA2 GLY 3 HA2 GLY 3 -3.640 1.928 -3.776 12 HA3 GLY 3 HA3 GLY 3 -3.620 1.622 -5.506 13 H DBB 4 H DBB 4 -4.215 -1.325 -4.594 14 HA DBB 4 HA DBB 4 -6.827 -1.214 -3.522 15 HB2 DBB 4 HB DBB 4 -5.400 -3.107 -3.346 16 HG1 DBB 4 HG21 DBB 4 -7.596 -3.578 -2.890 17 HG2 DBB 4 HG22 DBB 4 -7.138 -4.859 -4.014 18 HG3 DBB 4 HG23 DBB 4 -8.078 -3.478 -4.582 19 H GLY 5 H GLY 5 -5.747 -1.367 -6.930 20 HA2 GLY 5 HA2 GLY 5 -8.404 -0.390 -7.668 21 HA3 GLY 5 HA3 GLY 5 -6.966 -0.347 -8.677 22 H ASP 6 H ASP 6 -7.775 -1.330 -10.473 23 HA ASP 6 HA ASP 6 -9.319 -3.744 -10.331 24 HB2 ASP 6 HB2 ASP 6 -8.278 -1.983 -12.488 25 HB3 ASP 6 HB3 ASP 6 -8.633 -3.654 -12.919 26 H GLY 7 H GLY 7 -8.694 -5.830 -10.738 27 HA2 GLY 7 HA2 GLY 7 -7.292 -7.643 -10.877 28 HA3 GLY 7 HA3 GLY 7 -6.215 -6.616 -11.812 29 H CYS 8 H CYS 8 -7.002 -5.452 -8.699 30 HA CYS 8 HA CYS 8 -4.307 -5.526 -7.836 31 HB2 CYS 8 HB2 CYS 8 -6.348 -3.988 -7.138 32 HB3 CYS 8 HB3 CYS 8 -6.532 -5.197 -5.871 33 H ALA 9 H ALA 9 -3.400 -6.649 -6.042 34 HA ALA 9 HA ALA 9 -4.442 -9.364 -5.789 35 HB1 ALA 9 HB1 ALA 9 -1.820 -8.282 -4.773 36 HB2 ALA 9 HB2 ALA 9 -2.281 -9.974 -4.971 37 HB3 ALA 9 HB3 ALA 9 -2.054 -8.950 -6.389 38 H LYS 10 H LYS 10 -5.047 -10.300 -3.879 39 HA LYS 10 HA LYS 10 -5.439 -8.458 -1.624 40 HB2 LYS 10 HB2 LYS 10 -7.225 -9.911 -0.901 41 HB3 LYS 10 HB3 LYS 10 -7.457 -9.527 -2.602 42 HG2 LYS 10 HG2 LYS 10 -6.384 -11.720 -3.152 43 HG3 LYS 10 HG3 LYS 10 -6.428 -12.097 -1.428 44 HD2 LYS 10 HD2 LYS 10 -8.934 -11.214 -2.785 45 HD3 LYS 10 HD3 LYS 10 -8.366 -12.868 -3.025 46 HE2 LYS 10 HE2 LYS 10 -8.158 -12.862 -0.421 47 HE3 LYS 10 HE3 LYS 10 -9.296 -11.519 -0.527 48 HZ1 LYS 10 HZ1 LYS 10 -10.751 -13.235 -0.410 49 HZ2 LYS 10 HZ2 LYS 10 -9.699 -14.349 -1.126 50 HZ3 LYS 10 HZ3 LYS 10 -10.529 -13.231 -2.087 51 H DBB 11 H DBB 11 -5.149 -9.283 0.558 52 HA DBB 11 HA DBB 11 -3.802 -11.749 0.974 53 HB2 DBB 11 HB DBB 11 -5.220 -10.739 2.594 54 HG1 DBB 11 HG21 DBB 11 -3.563 -12.363 3.246 55 HG2 DBB 11 HG22 DBB 11 -3.896 -11.232 4.559 56 HG3 DBB 11 HG23 DBB 11 -2.420 -11.070 3.604 57 H CYS 12 H CYS 12 -1.595 -12.129 1.725 58 HA CYS 12 HA CYS 12 0.317 -10.047 1.866 59 HB2 CYS 12 HB2 CYS 12 0.559 -12.202 3.053 60 HB3 CYS 12 HB3 CYS 12 0.771 -13.017 1.506 61 H ALA 13 H ALA 13 0.060 -8.910 -0.115 62 HA ALA 13 HA ALA 13 1.895 -9.686 -2.129 63 HB1 ALA 13 HB1 ALA 13 0.275 -9.880 -4.005 64 HB2 ALA 13 HB2 ALA 13 0.186 -11.209 -2.847 65 HB3 ALA 13 HB3 ALA 13 -1.029 -9.931 -2.818 66 H ALA 14 H ALA 14 -0.847 -7.714 -1.226 67 HA ALA 14 HA ALA 14 0.457 -5.256 -1.727 68 HB1 ALA 14 HB1 ALA 14 -0.384 -5.987 -4.085 69 HB2 ALA 14 HB2 ALA 14 -1.978 -5.760 -3.372 70 H SER 15 H SER 15 -2.946 -6.355 -1.830 71 HA SER 15 HA SER 15 -4.094 -4.356 -0.380 72 HB2 SER 15 HB2 SER 15 -5.308 -6.259 -1.455 73 HB3 SER 15 HB3 SER 15 -4.830 -7.279 -0.098 74 HG SER 15 HG SER 15 -6.977 -5.973 -0.158 75 H CYS 16 H CYS 16 -2.459 -7.221 0.902 76 HA CYS 16 HA CYS 16 -2.563 -5.995 3.581 77 HB2 CYS 16 HB2 CYS 16 -2.158 -8.926 2.971 78 HB3 CYS 16 HB3 CYS 16 -2.465 -8.192 4.542 79 H ALA 17 H ALA 17 -0.697 -5.649 4.667 80 HA ALA 17 HA ALA 17 1.716 -5.387 3.335 81 HB1 ALA 17 HB1 ALA 17 2.742 -5.105 5.528 82 HB2 ALA 17 HB2 ALA 17 1.202 -4.249 5.437 83 HB3 ALA 17 HB3 ALA 17 1.307 -5.786 6.296 84 H ALA 18 H ALA 18 0.297 -8.172 4.742 85 HA ALA 18 HA ALA 18 0.866 -10.385 4.700 86 HB1 ALA 18 HB1 ALA 18 2.356 -9.404 2.561 87 HB2 ALA 18 HB2 ALA 18 3.550 -10.070 3.670 88 H SER 19 H SER 19 3.873 -8.508 5.192 89 HA SER 19 HA SER 19 4.751 -10.246 7.290 90 HB2 SER 19 HB2 SER 19 6.301 -8.990 5.778 91 HB3 SER 19 HB3 SER 19 5.802 -7.499 6.577 92 HG SER 19 HG SER 19 7.463 -8.019 7.800 Start of MODEL 7 1 H1 ALA 1 H ALA 1 2.974 0.739 -5.430 2 HA ALA 1 HA ALA 1 0.636 0.768 -3.634 3 HB1 ALA 1 HB1 ALA 1 1.220 2.945 -4.715 4 HB2 ALA 1 HB2 ALA 1 0.868 2.199 -6.274 5 HB3 ALA 1 HB3 ALA 1 -0.407 2.364 -5.067 6 H CYS 2 H CYS 2 -0.453 -1.077 -3.818 7 HA CYS 2 HA CYS 2 -0.377 -2.660 -6.223 8 HB2 CYS 2 HB2 CYS 2 -0.749 -3.237 -3.560 9 HB3 CYS 2 HB3 CYS 2 -2.379 -3.392 -4.208 10 H GLY 3 H GLY 3 -2.401 -0.215 -4.916 11 HA2 GLY 3 HA2 GLY 3 -3.998 0.912 -6.286 12 HA3 GLY 3 HA3 GLY 3 -4.249 -0.586 -7.170 13 H DBB 4 H DBB 4 -4.842 -2.423 -5.322 14 HA DBB 4 HA DBB 4 -6.446 -1.712 -3.199 15 HB2 DBB 4 HB DBB 4 -5.670 -3.913 -3.650 16 HG1 DBB 4 HG21 DBB 4 -7.369 -3.685 -2.051 17 HG2 DBB 4 HG22 DBB 4 -7.731 -5.140 -2.980 18 HG3 DBB 4 HG23 DBB 4 -8.625 -3.649 -3.287 19 H GLY 5 H GLY 5 -7.622 -2.218 -6.566 20 HA2 GLY 5 HA2 GLY 5 -10.285 -1.402 -5.859 21 HA3 GLY 5 HA3 GLY 5 -9.370 -0.123 -6.644 22 H ASP 6 H ASP 6 -7.872 -1.828 -8.392 23 HA ASP 6 HA ASP 6 -9.728 -3.364 -9.960 24 HB2 ASP 6 HB2 ASP 6 -9.453 -1.929 -12.007 25 HB3 ASP 6 HB3 ASP 6 -10.439 -1.211 -10.736 26 H GLY 7 H GLY 7 -8.272 -5.035 -9.898 27 HA2 GLY 7 HA2 GLY 7 -6.641 -6.247 -11.090 28 HA3 GLY 7 HA3 GLY 7 -5.949 -4.729 -11.641 29 H CYS 8 H CYS 8 -6.680 -5.865 -8.356 30 HA CYS 8 HA CYS 8 -3.814 -5.577 -7.729 31 HB2 CYS 8 HB2 CYS 8 -4.637 -5.050 -5.374 32 HB3 CYS 8 HB3 CYS 8 -4.901 -3.809 -6.594 33 H ALA 9 H ALA 9 -3.160 -6.844 -5.754 34 HA ALA 9 HA ALA 9 -4.297 -9.536 -5.963 35 HB1 ALA 9 HB1 ALA 9 -1.694 -8.673 -5.997 36 HB2 ALA 9 HB2 ALA 9 -1.891 -9.248 -4.341 37 HB3 ALA 9 HB3 ALA 9 -2.225 -10.328 -5.694 38 H LYS 10 H LYS 10 -3.702 -10.729 -3.669 39 HA LYS 10 HA LYS 10 -4.815 -9.100 -1.499 40 HB2 LYS 10 HB2 LYS 10 -5.783 -11.901 -2.061 41 HB3 LYS 10 HB3 LYS 10 -6.435 -10.750 -0.902 42 HG2 LYS 10 HG2 LYS 10 -6.865 -9.297 -3.029 43 HG3 LYS 10 HG3 LYS 10 -6.756 -10.849 -3.862 44 HD2 LYS 10 HD2 LYS 10 -8.442 -11.677 -2.107 45 HD3 LYS 10 HD3 LYS 10 -8.723 -9.967 -1.773 46 HE2 LYS 10 HE2 LYS 10 -8.806 -10.904 -4.598 47 HE3 LYS 10 HE3 LYS 10 -10.169 -11.282 -3.545 48 HZ1 LYS 10 HZ1 LYS 10 -10.186 -9.105 -4.897 49 HZ2 LYS 10 HZ2 LYS 10 -9.142 -8.526 -3.699 50 HZ3 LYS 10 HZ3 LYS 10 -10.690 -9.066 -3.282 51 H DBB 11 H DBB 11 -4.484 -10.049 0.648 52 HA DBB 11 HA DBB 11 -2.676 -12.269 0.853 53 HB2 DBB 11 HB DBB 11 -4.415 -11.896 2.431 54 HG1 DBB 11 HG21 DBB 11 -3.248 -12.569 4.336 55 HG2 DBB 11 HG22 DBB 11 -1.811 -11.654 3.878 56 HG3 DBB 11 HG23 DBB 11 -2.277 -13.087 2.959 57 H CYS 12 H CYS 12 -0.536 -12.210 1.954 58 HA CYS 12 HA CYS 12 0.764 -9.697 2.361 59 HB2 CYS 12 HB2 CYS 12 1.235 -11.841 3.629 60 HB3 CYS 12 HB3 CYS 12 2.081 -12.410 2.193 61 H ALA 13 H ALA 13 0.552 -8.719 0.281 62 HA ALA 13 HA ALA 13 2.837 -9.003 -1.348 63 HB1 ALA 13 HB1 ALA 13 1.492 -11.034 -2.032 64 HB2 ALA 13 HB2 ALA 13 0.328 -9.910 -2.736 65 HB3 ALA 13 HB3 ALA 13 1.987 -9.952 -3.335 66 H ALA 14 H ALA 14 -0.454 -7.893 -1.030 67 HA ALA 14 HA ALA 14 0.256 -5.215 -1.840 68 HB1 ALA 14 HB1 ALA 14 -1.278 -6.993 -3.580 69 HB2 ALA 14 HB2 ALA 14 -2.194 -5.594 -3.031 70 H SER 15 H SER 15 -2.792 -7.026 -1.384 71 HA SER 15 HA SER 15 -4.089 -5.045 0.072 72 HB2 SER 15 HB2 SER 15 -5.299 -6.922 -0.897 73 HB3 SER 15 HB3 SER 15 -4.477 -8.046 0.185 74 HG SER 15 HG SER 15 -6.703 -7.172 0.736 75 H CYS 16 H CYS 16 -2.993 -8.104 1.529 76 HA CYS 16 HA CYS 16 -2.801 -6.835 4.119 77 HB2 CYS 16 HB2 CYS 16 -1.903 -9.639 3.505 78 HB3 CYS 16 HB3 CYS 16 -2.551 -8.994 5.010 79 H ALA 17 H ALA 17 -0.888 -6.896 5.443 80 HA ALA 17 HA ALA 17 1.528 -6.423 3.864 81 HB1 ALA 17 HB1 ALA 17 2.398 -5.300 5.817 82 HB2 ALA 17 HB2 ALA 17 0.781 -4.693 5.459 83 HB3 ALA 17 HB3 ALA 17 1.021 -5.838 6.779 84 H ALA 18 H ALA 18 0.127 -8.871 5.602 85 HA ALA 18 HA ALA 18 0.836 -10.943 6.252 86 HB1 ALA 18 HB1 ALA 18 3.699 -10.359 5.723 87 HB2 ALA 18 HB2 ALA 18 2.760 -11.822 5.445 88 H SER 19 H SER 19 3.565 -8.751 6.998 89 HA SER 19 HA SER 19 2.998 -9.087 9.846 90 HB2 SER 19 HB2 SER 19 5.850 -9.349 8.988 91 HB3 SER 19 HB3 SER 19 5.049 -9.984 10.425 92 HG SER 19 HG SER 19 5.316 -11.730 9.160 Start of MODEL 8 1 H1 ALA 1 H ALA 1 -0.243 0.140 0.210 2 HA ALA 1 HA ALA 1 1.304 1.936 -1.512 3 HB1 ALA 1 HB1 ALA 1 1.957 -0.608 -0.071 4 HB2 ALA 1 HB2 ALA 1 2.977 -0.017 -1.383 5 HB3 ALA 1 HB3 ALA 1 2.728 0.973 0.055 6 H CYS 2 H CYS 2 -0.692 -0.895 -1.598 7 HA CYS 2 HA CYS 2 0.164 -1.732 -4.221 8 HB2 CYS 2 HB2 CYS 2 -0.715 -3.294 -2.447 9 HB3 CYS 2 HB3 CYS 2 -2.309 -2.597 -2.717 10 H GLY 3 H GLY 3 -2.258 0.354 -2.871 11 HA2 GLY 3 HA2 GLY 3 -3.372 2.030 -4.098 12 HA3 GLY 3 HA3 GLY 3 -3.046 1.134 -5.574 13 H DBB 4 H DBB 4 -4.028 -1.386 -4.264 14 HA DBB 4 HA DBB 4 -6.647 -1.128 -3.417 15 HB2 DBB 4 HB DBB 4 -5.360 -3.122 -3.286 16 HG1 DBB 4 HG21 DBB 4 -7.624 -3.395 -2.901 17 HG2 DBB 4 HG22 DBB 4 -7.190 -4.729 -3.969 18 HG3 DBB 4 HG23 DBB 4 -8.020 -3.313 -4.616 19 H GLY 5 H GLY 5 -5.540 -1.309 -6.821 20 HA2 GLY 5 HA2 GLY 5 -8.123 -0.129 -7.558 21 HA3 GLY 5 HA3 GLY 5 -6.659 -0.092 -8.529 22 H ASP 6 H ASP 6 -7.389 -0.974 -10.395 23 HA ASP 6 HA ASP 6 -9.055 -3.318 -10.420 24 HB2 ASP 6 HB2 ASP 6 -8.945 -1.375 -12.155 25 HB3 ASP 6 HB3 ASP 6 -7.592 -2.281 -12.828 26 H GLY 7 H GLY 7 -8.490 -5.405 -10.823 27 HA2 GLY 7 HA2 GLY 7 -7.155 -7.254 -11.132 28 HA3 GLY 7 HA3 GLY 7 -5.959 -6.191 -11.859 29 H CYS 8 H CYS 8 -6.887 -5.165 -8.777 30 HA CYS 8 HA CYS 8 -4.305 -5.580 -7.694 31 HB2 CYS 8 HB2 CYS 8 -6.355 -3.923 -7.083 32 HB3 CYS 8 HB3 CYS 8 -6.545 -5.127 -5.812 33 H ALA 9 H ALA 9 -3.862 -6.744 -5.652 34 HA ALA 9 HA ALA 9 -5.196 -9.364 -5.678 35 HB1 ALA 9 HB1 ALA 9 -2.776 -9.345 -6.167 36 HB2 ALA 9 HB2 ALA 9 -2.483 -8.660 -4.567 37 HB3 ALA 9 HB3 ALA 9 -3.175 -10.274 -4.722 38 H LYS 10 H LYS 10 -4.891 -10.482 -3.404 39 HA LYS 10 HA LYS 10 -5.653 -8.569 -1.302 40 HB2 LYS 10 HB2 LYS 10 -7.416 -10.002 -0.544 41 HB3 LYS 10 HB3 LYS 10 -7.646 -9.741 -2.268 42 HG2 LYS 10 HG2 LYS 10 -6.452 -11.945 -2.622 43 HG3 LYS 10 HG3 LYS 10 -6.622 -12.200 -0.884 44 HD2 LYS 10 HD2 LYS 10 -9.078 -11.885 -1.143 45 HD3 LYS 10 HD3 LYS 10 -8.841 -11.805 -2.890 46 HE2 LYS 10 HE2 LYS 10 -7.986 -14.052 -2.927 47 HE3 LYS 10 HE3 LYS 10 -8.010 -14.136 -1.167 48 HZ1 LYS 10 HZ1 LYS 10 -10.458 -13.832 -1.304 49 HZ2 LYS 10 HZ2 LYS 10 -9.908 -15.278 -1.986 50 HZ3 LYS 10 HZ3 LYS 10 -10.349 -13.987 -2.985 51 H DBB 11 H DBB 11 -5.222 -9.254 0.867 52 HA DBB 11 HA DBB 11 -3.879 -11.714 1.356 53 HB2 DBB 11 HB DBB 11 -5.231 -10.619 2.976 54 HG1 DBB 11 HG21 DBB 11 -3.936 -11.132 4.877 55 HG2 DBB 11 HG22 DBB 11 -2.431 -10.809 4.015 56 HG3 DBB 11 HG23 DBB 11 -3.422 -12.201 3.573 57 H CYS 12 H CYS 12 -1.643 -12.033 2.113 58 HA CYS 12 HA CYS 12 0.273 -9.962 2.045 59 HB2 CYS 12 HB2 CYS 12 0.562 -12.042 3.342 60 HB3 CYS 12 HB3 CYS 12 0.707 -12.949 1.840 61 H ALA 13 H ALA 13 0.015 -8.917 0.035 62 HA ALA 13 HA ALA 13 1.761 -9.796 -1.996 63 HB1 ALA 13 HB1 ALA 13 -1.172 -10.068 -2.643 64 HB2 ALA 13 HB2 ALA 13 0.149 -10.190 -3.805 65 HB3 ALA 13 HB3 ALA 13 -0.003 -11.383 -2.514 66 H ALA 14 H ALA 14 -0.972 -7.810 -1.112 67 HA ALA 14 HA ALA 14 0.273 -5.372 -1.818 68 HB1 ALA 14 HB1 ALA 14 -0.607 -6.185 -4.096 69 HB2 ALA 14 HB2 ALA 14 -2.196 -6.087 -3.343 70 H SER 15 H SER 15 -3.131 -6.460 -1.740 71 HA SER 15 HA SER 15 -4.219 -4.401 -0.338 72 HB2 SER 15 HB2 SER 15 -5.496 -6.321 -1.265 73 HB3 SER 15 HB3 SER 15 -4.934 -7.313 0.079 74 HG SER 15 HG SER 15 -7.070 -5.882 0.065 75 H CYS 16 H CYS 16 -2.531 -7.199 1.017 76 HA CYS 16 HA CYS 16 -2.535 -5.846 3.636 77 HB2 CYS 16 HB2 CYS 16 -2.151 -8.803 3.146 78 HB3 CYS 16 HB3 CYS 16 -2.387 -7.999 4.694 79 H ALA 17 H ALA 17 -0.633 -5.386 4.587 80 HA ALA 17 HA ALA 17 1.723 -5.200 3.168 81 HB1 ALA 17 HB1 ALA 17 2.591 -4.290 5.038 82 HB2 ALA 17 HB2 ALA 17 0.918 -4.349 5.595 83 HB3 ALA 17 HB3 ALA 17 2.050 -5.618 6.065 84 H ALA 18 H ALA 18 0.414 -7.908 4.848 85 HA ALA 18 HA ALA 18 0.995 -10.119 4.900 86 HB1 ALA 18 HB1 ALA 18 2.264 -9.300 2.576 87 HB2 ALA 18 HB2 ALA 18 3.582 -9.825 3.618 88 H SER 19 H SER 19 4.017 -8.205 5.018 89 HA SER 19 HA SER 19 4.667 -9.585 7.536 90 HB2 SER 19 HB2 SER 19 6.415 -8.362 5.404 91 HB3 SER 19 HB3 SER 19 7.033 -8.749 7.010 92 HG SER 19 HG SER 19 7.402 -10.524 5.755 Start of MODEL 9 1 H1 ALA 1 H ALA 1 4.351 -0.266 -5.463 2 HA ALA 1 HA ALA 1 2.757 -1.586 -3.584 3 HB1 ALA 1 HB1 ALA 1 1.663 0.949 -4.557 4 HB2 ALA 1 HB2 ALA 1 2.168 0.476 -2.934 5 HB3 ALA 1 HB3 ALA 1 3.367 1.017 -4.108 6 H CYS 2 H CYS 2 0.353 -1.566 -3.513 7 HA CYS 2 HA CYS 2 -0.715 -2.459 -6.100 8 HB2 CYS 2 HB2 CYS 2 -1.228 -3.222 -3.269 9 HB3 CYS 2 HB3 CYS 2 -2.583 -3.310 -4.389 10 H GLY 3 H GLY 3 -2.204 -1.284 -7.116 11 HA2 GLY 3 HA2 GLY 3 -3.000 1.252 -6.294 12 HA3 GLY 3 HA3 GLY 3 -3.808 0.303 -7.533 13 H DBB 4 H DBB 4 -4.400 -1.858 -5.555 14 HA DBB 4 HA DBB 4 -5.865 -0.929 -3.409 15 HB2 DBB 4 HB DBB 4 -5.291 -3.204 -3.790 16 HG1 DBB 4 HG21 DBB 4 -6.860 -3.859 -2.389 17 HG2 DBB 4 HG22 DBB 4 -8.156 -3.581 -3.552 18 HG3 DBB 4 HG23 DBB 4 -7.527 -2.240 -2.593 19 H GLY 5 H GLY 5 -7.155 -1.422 -6.732 20 HA2 GLY 5 HA2 GLY 5 -9.728 -0.371 -5.983 21 HA3 GLY 5 HA3 GLY 5 -8.732 0.795 -6.841 22 H ASP 6 H ASP 6 -7.436 -1.086 -8.565 23 HA ASP 6 HA ASP 6 -9.418 -2.562 -10.009 24 HB2 ASP 6 HB2 ASP 6 -9.023 0.218 -10.668 25 HB3 ASP 6 HB3 ASP 6 -8.535 -0.801 -12.020 26 H GLY 7 H GLY 7 -7.830 -4.182 -9.684 27 HA2 GLY 7 HA2 GLY 7 -6.377 -5.450 -11.178 28 HA3 GLY 7 HA3 GLY 7 -5.552 -3.943 -11.547 29 H CYS 8 H CYS 8 -6.517 -5.231 -8.390 30 HA CYS 8 HA CYS 8 -3.662 -5.379 -7.676 31 HB2 CYS 8 HB2 CYS 8 -4.524 -4.809 -5.308 32 HB3 CYS 8 HB3 CYS 8 -4.401 -3.505 -6.485 33 H ALA 9 H ALA 9 -3.228 -6.816 -5.797 34 HA ALA 9 HA ALA 9 -4.831 -9.253 -6.052 35 HB1 ALA 9 HB1 ALA 9 -2.393 -9.376 -6.453 36 HB2 ALA 9 HB2 ALA 9 -2.122 -8.905 -4.775 37 HB3 ALA 9 HB3 ALA 9 -2.934 -10.427 -5.144 38 H LYS 10 H LYS 10 -4.260 -10.554 -3.728 39 HA LYS 10 HA LYS 10 -5.194 -8.815 -1.559 40 HB2 LYS 10 HB2 LYS 10 -6.947 -10.321 -0.926 41 HB3 LYS 10 HB3 LYS 10 -7.154 -9.946 -2.632 42 HG2 LYS 10 HG2 LYS 10 -6.093 -12.083 -3.214 43 HG3 LYS 10 HG3 LYS 10 -5.944 -12.460 -1.496 44 HD2 LYS 10 HD2 LYS 10 -8.396 -12.320 -1.280 45 HD3 LYS 10 HD3 LYS 10 -8.515 -12.009 -3.014 46 HE2 LYS 10 HE2 LYS 10 -8.927 -14.298 -2.825 47 HE3 LYS 10 HE3 LYS 10 -7.230 -14.212 -3.295 48 HZ1 LYS 10 HZ1 LYS 10 -7.620 -15.798 -1.495 49 HZ2 LYS 10 HZ2 LYS 10 -8.210 -14.554 -0.513 50 HZ3 LYS 10 HZ3 LYS 10 -6.593 -14.545 -1.007 51 H DBB 11 H DBB 11 -5.044 -9.911 0.595 52 HA DBB 11 HA DBB 11 -3.404 -12.240 0.781 53 HB2 DBB 11 HB DBB 11 -5.097 -11.720 2.367 54 HG1 DBB 11 HG21 DBB 11 -3.098 -13.108 2.877 55 HG2 DBB 11 HG22 DBB 11 -3.975 -12.497 4.281 56 HG3 DBB 11 HG23 DBB 11 -2.464 -11.734 3.780 57 H CYS 12 H CYS 12 -1.278 -12.359 1.948 58 HA CYS 12 HA CYS 12 0.249 -9.996 2.362 59 HB2 CYS 12 HB2 CYS 12 0.654 -12.041 3.652 60 HB3 CYS 12 HB3 CYS 12 1.140 -12.882 2.183 61 H ALA 13 H ALA 13 0.123 -8.925 0.329 62 HA ALA 13 HA ALA 13 2.348 -9.361 -1.344 63 HB1 ALA 13 HB1 ALA 13 1.544 -10.389 -3.207 64 HB2 ALA 13 HB2 ALA 13 0.517 -11.165 -2.001 65 HB3 ALA 13 HB3 ALA 13 -0.104 -9.815 -2.950 66 H ALA 14 H ALA 14 -0.828 -7.969 -0.953 67 HA ALA 14 HA ALA 14 0.108 -5.332 -1.626 68 HB1 ALA 14 HB1 ALA 14 -1.523 -6.888 -3.496 69 HB2 ALA 14 HB2 ALA 14 -2.312 -5.426 -2.914 70 H SER 15 H SER 15 -3.160 -6.748 -1.486 71 HA SER 15 HA SER 15 -4.345 -4.812 0.035 72 HB2 SER 15 HB2 SER 15 -5.615 -6.624 -0.996 73 HB3 SER 15 HB3 SER 15 -4.902 -7.787 0.122 74 HG SER 15 HG SER 15 -6.535 -7.314 1.348 75 H CYS 16 H CYS 16 -3.595 -7.943 1.535 76 HA CYS 16 HA CYS 16 -3.460 -6.796 4.141 77 HB2 CYS 16 HB2 CYS 16 -2.460 -9.523 3.311 78 HB3 CYS 16 HB3 CYS 16 -2.976 -9.013 4.915 79 H ALA 17 H ALA 17 -1.769 -6.020 5.239 80 HA ALA 17 HA ALA 17 0.625 -5.316 4.042 81 HB1 ALA 17 HB1 ALA 17 1.443 -5.196 6.510 82 HB2 ALA 17 HB2 ALA 17 0.155 -4.123 5.960 83 HB3 ALA 17 HB3 ALA 17 -0.239 -5.568 6.890 84 H ALA 18 H ALA 18 -0.321 -8.311 5.418 85 HA ALA 18 HA ALA 18 0.658 -10.376 5.443 86 HB1 ALA 18 HB1 ALA 18 2.089 -9.109 3.395 87 HB2 ALA 18 HB2 ALA 18 3.295 -9.615 4.574 88 H SER 19 H SER 19 3.236 -7.973 6.063 89 HA SER 19 HA SER 19 4.193 -9.505 8.313 90 HB2 SER 19 HB2 SER 19 5.940 -7.848 8.476 91 HB3 SER 19 HB3 SER 19 5.712 -8.236 6.771 92 HG SER 19 HG SER 19 4.149 -6.307 6.977 Start of MODEL 10 1 H1 ALA 1 H ALA 1 0.811 -1.869 1.599 2 HA ALA 1 HA ALA 1 1.067 0.486 -0.117 3 HB1 ALA 1 HB1 ALA 1 3.124 -0.309 0.853 4 HB2 ALA 1 HB2 ALA 1 2.844 -1.927 0.211 5 HB3 ALA 1 HB3 ALA 1 3.160 -0.585 -0.888 6 H CYS 2 H CYS 2 -0.901 0.082 -1.288 7 HA CYS 2 HA CYS 2 -0.461 -1.455 -3.659 8 HB2 CYS 2 HB2 CYS 2 -1.325 -3.100 -1.839 9 HB3 CYS 2 HB3 CYS 2 -2.878 -2.310 -2.092 10 H GLY 3 H GLY 3 -1.349 -0.354 -5.277 11 HA2 GLY 3 HA2 GLY 3 -2.867 1.970 -4.903 12 HA3 GLY 3 HA3 GLY 3 -2.674 1.122 -6.430 13 H DBB 4 H DBB 4 -3.866 -1.308 -4.911 14 HA DBB 4 HA DBB 4 -6.522 -0.585 -4.294 15 HB2 DBB 4 HB DBB 4 -5.454 -2.547 -3.482 16 HG1 DBB 4 HG21 DBB 4 -7.392 -3.575 -3.165 17 HG2 DBB 4 HG22 DBB 4 -7.687 -3.796 -4.890 18 HG3 DBB 4 HG23 DBB 4 -8.038 -2.245 -4.124 19 H GLY 5 H GLY 5 -5.239 -2.028 -7.336 20 HA2 GLY 5 HA2 GLY 5 -7.254 -0.585 -8.817 21 HA3 GLY 5 HA3 GLY 5 -5.999 -1.616 -9.489 22 H ASP 6 H ASP 6 -8.165 -1.972 -10.785 23 HA ASP 6 HA ASP 6 -10.140 -3.656 -9.671 24 HB2 ASP 6 HB2 ASP 6 -10.522 -2.358 -11.717 25 HB3 ASP 6 HB3 ASP 6 -9.311 -3.319 -12.562 26 H GLY 7 H GLY 7 -6.929 -4.257 -10.571 27 HA2 GLY 7 HA2 GLY 7 -7.463 -7.162 -10.682 28 HA3 GLY 7 HA3 GLY 7 -6.135 -6.386 -11.532 29 H CYS 8 H CYS 8 -6.742 -5.118 -8.433 30 HA CYS 8 HA CYS 8 -4.220 -5.639 -7.423 31 HB2 CYS 8 HB2 CYS 8 -6.486 -4.296 -6.543 32 HB3 CYS 8 HB3 CYS 8 -6.240 -5.542 -5.324 33 H ALA 9 H ALA 9 -3.522 -7.036 -5.687 34 HA ALA 9 HA ALA 9 -4.734 -9.696 -5.901 35 HB1 ALA 9 HB1 ALA 9 -2.039 -8.919 -4.792 36 HB2 ALA 9 HB2 ALA 9 -2.626 -10.557 -5.078 37 HB3 ALA 9 HB3 ALA 9 -2.341 -9.472 -6.439 38 H LYS 10 H LYS 10 -4.423 -11.052 -3.819 39 HA LYS 10 HA LYS 10 -5.323 -9.439 -1.521 40 HB2 LYS 10 HB2 LYS 10 -6.134 -12.273 -2.195 41 HB3 LYS 10 HB3 LYS 10 -6.716 -11.319 -0.837 42 HG2 LYS 10 HG2 LYS 10 -7.121 -9.960 -3.361 43 HG3 LYS 10 HG3 LYS 10 -7.895 -11.546 -3.325 44 HD2 LYS 10 HD2 LYS 10 -9.257 -10.981 -1.531 45 HD3 LYS 10 HD3 LYS 10 -8.202 -9.661 -1.019 46 HE2 LYS 10 HE2 LYS 10 -9.745 -9.638 -3.604 47 HE3 LYS 10 HE3 LYS 10 -10.378 -8.978 -2.098 48 HZ1 LYS 10 HZ1 LYS 10 -9.418 -7.196 -3.286 49 HZ2 LYS 10 HZ2 LYS 10 -8.002 -8.061 -3.613 50 HZ3 LYS 10 HZ3 LYS 10 -8.338 -7.555 -2.035 51 H DBB 11 H DBB 11 -4.811 -10.305 0.605 52 HA DBB 11 HA DBB 11 -2.959 -12.453 0.835 53 HB2 DBB 11 HB DBB 11 -4.534 -11.902 2.529 54 HG1 DBB 11 HG21 DBB 11 -1.748 -11.619 3.575 55 HG2 DBB 11 HG22 DBB 11 -2.464 -13.132 3.016 56 HG3 DBB 11 HG23 DBB 11 -3.134 -12.302 4.423 57 H CYS 12 H CYS 12 -0.710 -12.382 1.571 58 HA CYS 12 HA CYS 12 0.697 -9.944 1.853 59 HB2 CYS 12 HB2 CYS 12 1.432 -12.067 2.882 60 HB3 CYS 12 HB3 CYS 12 1.788 -12.708 1.281 61 H ALA 13 H ALA 13 0.183 -8.745 -0.030 62 HA ALA 13 HA ALA 13 2.101 -8.954 -2.099 63 HB1 ALA 13 HB1 ALA 13 0.537 -9.371 -3.984 64 HB2 ALA 13 HB2 ALA 13 0.760 -10.764 -2.925 65 HB3 ALA 13 HB3 ALA 13 -0.706 -9.792 -2.806 66 H ALA 14 H ALA 14 -0.987 -7.706 -1.043 67 HA ALA 14 HA ALA 14 -0.274 -4.993 -1.365 68 HB1 ALA 14 HB1 ALA 14 -0.964 -5.722 -3.773 69 HB2 ALA 14 HB2 ALA 14 -2.559 -5.902 -3.048 70 H SER 15 H SER 15 -3.346 -6.816 -1.555 71 HA SER 15 HA SER 15 -4.890 -5.232 0.034 72 HB2 SER 15 HB2 SER 15 -5.686 -7.257 -1.176 73 HB3 SER 15 HB3 SER 15 -4.945 -8.259 0.071 74 HG SER 15 HG SER 15 -6.841 -8.040 0.972 75 H CYS 16 H CYS 16 -2.647 -7.750 1.107 76 HA CYS 16 HA CYS 16 -2.982 -6.774 3.868 77 HB2 CYS 16 HB2 CYS 16 -1.945 -9.489 3.043 78 HB3 CYS 16 HB3 CYS 16 -2.384 -8.959 4.663 79 H ALA 17 H ALA 17 -1.217 -6.137 5.003 80 HA ALA 17 HA ALA 17 1.059 -5.236 3.694 81 HB1 ALA 17 HB1 ALA 17 1.688 -4.413 5.698 82 HB2 ALA 17 HB2 ALA 17 0.049 -4.873 6.161 83 HB3 ALA 17 HB3 ALA 17 1.404 -5.938 6.537 84 H ALA 18 H ALA 18 0.300 -8.364 4.859 85 HA ALA 18 HA ALA 18 1.344 -10.387 4.650 86 HB1 ALA 18 HB1 ALA 18 2.589 -8.917 2.629 87 HB2 ALA 18 HB2 ALA 18 3.893 -9.430 3.695 88 H SER 19 H SER 19 3.871 -7.947 5.332 89 HA SER 19 HA SER 19 4.499 -9.457 7.785 90 HB2 SER 19 HB2 SER 19 6.368 -7.981 5.921 91 HB3 SER 19 HB3 SER 19 6.842 -8.573 7.512 92 HG SER 19 HG SER 19 6.102 -10.041 5.221 Start of MODEL 11 1 H1 ALA 1 H ALA 1 4.921 -0.296 -4.569 2 HA ALA 1 HA ALA 1 2.507 0.756 -4.278 3 HB1 ALA 1 HB1 ALA 1 3.799 0.273 -6.960 4 HB2 ALA 1 HB2 ALA 1 2.516 1.441 -6.643 5 HB3 ALA 1 HB3 ALA 1 4.094 1.637 -5.881 6 H CYS 2 H CYS 2 0.609 -0.213 -3.977 7 HA CYS 2 HA CYS 2 -0.229 -2.263 -5.922 8 HB2 CYS 2 HB2 CYS 2 0.128 -3.292 -3.749 9 HB3 CYS 2 HB3 CYS 2 -0.893 -2.083 -2.977 10 H GLY 3 H GLY 3 -1.995 -1.801 -7.065 11 HA2 GLY 3 HA2 GLY 3 -3.287 0.652 -7.001 12 HA3 GLY 3 HA3 GLY 3 -3.946 -0.799 -7.742 13 H DBB 4 H DBB 4 -4.198 -2.371 -5.393 14 HA DBB 4 HA DBB 4 -5.398 -1.269 -3.226 15 HB2 DBB 4 HB DBB 4 -4.962 -3.586 -3.523 16 HG1 DBB 4 HG21 DBB 4 -7.755 -2.897 -2.733 17 HG2 DBB 4 HG22 DBB 4 -6.327 -2.985 -1.702 18 HG3 DBB 4 HG23 DBB 4 -7.009 -4.458 -2.394 19 H GLY 5 H GLY 5 -7.193 -1.959 -6.272 20 HA2 GLY 5 HA2 GLY 5 -9.577 -0.715 -5.244 21 HA3 GLY 5 HA3 GLY 5 -8.681 0.320 -6.347 22 H ASP 6 H ASP 6 -7.773 -1.514 -8.197 23 HA ASP 6 HA ASP 6 -10.022 -3.069 -9.149 24 HB2 ASP 6 HB2 ASP 6 -9.110 -0.541 -10.500 25 HB3 ASP 6 HB3 ASP 6 -9.855 -1.844 -11.421 26 H GLY 7 H GLY 7 -8.689 -4.859 -9.096 27 HA2 GLY 7 HA2 GLY 7 -7.468 -6.361 -10.464 28 HA3 GLY 7 HA3 GLY 7 -6.734 -4.985 -11.274 29 H CYS 8 H CYS 8 -6.976 -5.717 -7.809 30 HA CYS 8 HA CYS 8 -4.029 -5.712 -7.709 31 HB2 CYS 8 HB2 CYS 8 -4.353 -4.925 -5.316 32 HB3 CYS 8 HB3 CYS 8 -4.768 -3.762 -6.571 33 H ALA 9 H ALA 9 -3.067 -7.009 -5.990 34 HA ALA 9 HA ALA 9 -4.325 -9.594 -5.827 35 HB1 ALA 9 HB1 ALA 9 -1.876 -9.250 -6.201 36 HB2 ALA 9 HB2 ALA 9 -1.755 -8.717 -4.524 37 HB3 ALA 9 HB3 ALA 9 -2.271 -10.363 -4.891 38 H LYS 10 H LYS 10 -4.557 -10.776 -3.795 39 HA LYS 10 HA LYS 10 -5.426 -8.995 -1.616 40 HB2 LYS 10 HB2 LYS 10 -6.824 -11.039 -0.944 41 HB3 LYS 10 HB3 LYS 10 -7.336 -10.134 -2.362 42 HG2 LYS 10 HG2 LYS 10 -5.493 -12.289 -3.005 43 HG3 LYS 10 HG3 LYS 10 -6.970 -12.851 -2.218 44 HD2 LYS 10 HD2 LYS 10 -8.271 -11.516 -3.884 45 HD3 LYS 10 HD3 LYS 10 -6.753 -11.179 -4.720 46 HE2 LYS 10 HE2 LYS 10 -7.736 -13.015 -5.842 47 HE3 LYS 10 HE3 LYS 10 -6.422 -13.676 -4.870 48 HZ1 LYS 10 HZ1 LYS 10 -7.841 -14.933 -3.743 49 HZ2 LYS 10 HZ2 LYS 10 -9.032 -14.508 -4.866 50 HZ3 LYS 10 HZ3 LYS 10 -8.877 -13.633 -3.426 51 H DBB 11 H DBB 11 -5.028 -9.636 0.559 52 HA DBB 11 HA DBB 11 -3.377 -11.933 1.045 53 HB2 DBB 11 HB DBB 11 -5.065 -11.241 2.569 54 HG1 DBB 11 HG21 DBB 11 -2.896 -12.429 3.186 55 HG2 DBB 11 HG22 DBB 11 -3.949 -11.864 4.484 56 HG3 DBB 11 HG23 DBB 11 -2.505 -10.945 4.054 57 H CYS 12 H CYS 12 -1.219 -11.893 2.092 58 HA CYS 12 HA CYS 12 0.274 -9.509 2.333 59 HB2 CYS 12 HB2 CYS 12 0.683 -11.773 3.469 60 HB3 CYS 12 HB3 CYS 12 1.482 -12.246 1.973 61 H ALA 13 H ALA 13 0.168 -8.368 0.396 62 HA ALA 13 HA ALA 13 2.234 -8.790 -1.437 63 HB1 ALA 13 HB1 ALA 13 0.582 -9.196 -3.444 64 HB2 ALA 13 HB2 ALA 13 1.245 -10.546 -2.521 65 HB3 ALA 13 HB3 ALA 13 -0.390 -9.972 -2.194 66 H ALA 14 H ALA 14 -0.917 -7.437 -0.821 67 HA ALA 14 HA ALA 14 -0.120 -4.773 -1.364 68 HB1 ALA 14 HB1 ALA 14 -0.628 -5.586 -3.719 69 HB2 ALA 14 HB2 ALA 14 -2.236 -5.968 -3.112 70 H SER 15 H SER 15 -3.218 -6.552 -1.528 71 HA SER 15 HA SER 15 -4.754 -4.749 -0.132 72 HB2 SER 15 HB2 SER 15 -5.670 -6.716 -1.306 73 HB3 SER 15 HB3 SER 15 -5.010 -7.767 -0.053 74 HG SER 15 HG SER 15 -7.057 -7.416 0.585 75 H CYS 16 H CYS 16 -2.697 -7.317 1.145 76 HA CYS 16 HA CYS 16 -3.070 -6.173 3.836 77 HB2 CYS 16 HB2 CYS 16 -2.364 -9.059 3.340 78 HB3 CYS 16 HB3 CYS 16 -2.971 -8.319 4.818 79 H ALA 17 H ALA 17 -1.208 -6.587 5.307 80 HA ALA 17 HA ALA 17 1.294 -6.177 3.835 81 HB1 ALA 17 HB1 ALA 17 2.160 -5.206 5.881 82 HB2 ALA 17 HB2 ALA 17 0.626 -4.448 5.451 83 HB3 ALA 17 HB3 ALA 17 0.685 -5.649 6.741 84 H ALA 18 H ALA 18 -0.346 -8.582 5.410 85 HA ALA 18 HA ALA 18 0.191 -10.723 6.000 86 HB1 ALA 18 HB1 ALA 18 3.108 -10.246 5.590 87 HB2 ALA 18 HB2 ALA 18 2.142 -11.694 5.324 88 H SER 19 H SER 19 3.038 -8.785 6.972 89 HA SER 19 HA SER 19 2.991 -9.951 9.605 90 HB2 SER 19 HB2 SER 19 4.994 -8.662 10.018 91 HB3 SER 19 HB3 SER 19 5.108 -9.362 8.404 92 HG SER 19 HG SER 19 5.376 -6.854 9.022 Start of MODEL 12 1 H1 ALA 1 H ALA 1 1.498 0.686 -3.156 2 HA ALA 1 HA ALA 1 2.640 0.905 -5.779 3 HB1 ALA 1 HB1 ALA 1 3.026 -1.501 -4.057 4 HB2 ALA 1 HB2 ALA 1 4.178 -0.668 -5.102 5 HB3 ALA 1 HB3 ALA 1 3.711 0.046 -3.558 6 H CYS 2 H CYS 2 0.346 -1.257 -4.187 7 HA CYS 2 HA CYS 2 0.096 -2.968 -6.493 8 HB2 CYS 2 HB2 CYS 2 -0.342 -3.387 -3.863 9 HB3 CYS 2 HB3 CYS 2 -1.985 -3.031 -4.385 10 H GLY 3 H GLY 3 -1.482 -0.145 -5.230 11 HA2 GLY 3 HA2 GLY 3 -2.728 1.254 -6.757 12 HA3 GLY 3 HA3 GLY 3 -3.305 -0.206 -7.546 13 H DBB 4 H DBB 4 -4.096 -1.695 -5.318 14 HA DBB 4 HA DBB 4 -5.607 -0.401 -3.424 15 HB2 DBB 4 HB DBB 4 -5.148 -2.734 -3.452 16 HG1 DBB 4 HG21 DBB 4 -6.820 -3.135 -2.065 17 HG2 DBB 4 HG22 DBB 4 -8.050 -2.889 -3.305 18 HG3 DBB 4 HG23 DBB 4 -7.340 -1.502 -2.476 19 H GLY 5 H GLY 5 -6.782 -1.283 -6.708 20 HA2 GLY 5 HA2 GLY 5 -9.369 -0.183 -6.303 21 HA3 GLY 5 HA3 GLY 5 -8.306 1.013 -7.030 22 H ASP 6 H ASP 6 -9.714 -2.190 -7.454 23 HA ASP 6 HA ASP 6 -10.269 -3.376 -9.314 24 HB2 ASP 6 HB2 ASP 6 -10.326 -0.556 -10.252 25 HB3 ASP 6 HB3 ASP 6 -10.329 -1.811 -11.488 26 H GLY 7 H GLY 7 -7.974 -4.182 -8.815 27 HA2 GLY 7 HA2 GLY 7 -6.619 -5.193 -10.785 28 HA3 GLY 7 HA3 GLY 7 -6.107 -3.524 -10.987 29 H CYS 8 H CYS 8 -6.660 -5.221 -7.939 30 HA CYS 8 HA CYS 8 -3.766 -5.185 -7.434 31 HB2 CYS 8 HB2 CYS 8 -4.436 -4.554 -5.011 32 HB3 CYS 8 HB3 CYS 8 -4.395 -3.285 -6.231 33 H ALA 9 H ALA 9 -2.976 -6.910 -6.327 34 HA ALA 9 HA ALA 9 -4.541 -9.264 -6.194 35 HB1 ALA 9 HB1 ALA 9 -2.592 -10.335 -5.326 36 HB2 ALA 9 HB2 ALA 9 -2.069 -9.178 -6.551 37 HB3 ALA 9 HB3 ALA 9 -1.892 -8.790 -4.840 38 H LYS 10 H LYS 10 -4.167 -10.598 -3.964 39 HA LYS 10 HA LYS 10 -5.168 -8.903 -1.775 40 HB2 LYS 10 HB2 LYS 10 -6.837 -10.499 -1.199 41 HB3 LYS 10 HB3 LYS 10 -6.989 -10.216 -2.928 42 HG2 LYS 10 HG2 LYS 10 -5.791 -12.285 -3.386 43 HG3 LYS 10 HG3 LYS 10 -5.598 -12.565 -1.653 44 HD2 LYS 10 HD2 LYS 10 -7.928 -12.871 -1.351 45 HD3 LYS 10 HD3 LYS 10 -8.290 -12.247 -2.963 46 HE2 LYS 10 HE2 LYS 10 -7.644 -14.189 -4.006 47 HE3 LYS 10 HE3 LYS 10 -6.536 -14.642 -2.712 48 HZ1 LYS 10 HZ1 LYS 10 -8.553 -15.037 -1.315 49 HZ2 LYS 10 HZ2 LYS 10 -8.367 -16.109 -2.610 50 HZ3 LYS 10 HZ3 LYS 10 -9.493 -14.850 -2.709 51 H DBB 11 H DBB 11 -4.865 -9.822 0.380 52 HA DBB 11 HA DBB 11 -3.093 -12.075 0.615 53 HB2 DBB 11 HB DBB 11 -4.862 -11.697 2.159 54 HG1 DBB 11 HG21 DBB 11 -2.240 -11.499 3.577 55 HG2 DBB 11 HG22 DBB 11 -2.813 -12.947 2.749 56 HG3 DBB 11 HG23 DBB 11 -3.700 -12.313 4.137 57 H CYS 12 H CYS 12 -0.976 -12.035 1.761 58 HA CYS 12 HA CYS 12 0.331 -9.532 2.206 59 HB2 CYS 12 HB2 CYS 12 0.764 -11.679 3.476 60 HB3 CYS 12 HB3 CYS 12 1.630 -12.254 2.055 61 H ALA 13 H ALA 13 0.270 -8.483 0.187 62 HA ALA 13 HA ALA 13 2.551 -8.758 -1.401 63 HB1 ALA 13 HB1 ALA 13 1.236 -9.436 -3.547 64 HB2 ALA 13 HB2 ALA 13 1.831 -10.680 -2.447 65 HB3 ALA 13 HB3 ALA 13 0.135 -10.199 -2.399 66 H ALA 14 H ALA 14 -0.766 -7.720 -1.174 67 HA ALA 14 HA ALA 14 -0.094 -5.042 -2.024 68 HB1 ALA 14 HB1 ALA 14 -1.669 -6.887 -3.691 69 HB2 ALA 14 HB2 ALA 14 -2.502 -5.405 -3.234 70 H SER 15 H SER 15 -3.164 -6.817 -1.615 71 HA SER 15 HA SER 15 -4.451 -4.839 -0.159 72 HB2 SER 15 HB2 SER 15 -4.870 -7.836 -0.087 73 HB3 SER 15 HB3 SER 15 -5.987 -6.657 0.601 74 HG SER 15 HG SER 15 -5.883 -5.733 -1.660 75 H CYS 16 H CYS 16 -3.401 -7.914 1.300 76 HA CYS 16 HA CYS 16 -3.230 -6.654 3.897 77 HB2 CYS 16 HB2 CYS 16 -2.356 -9.467 3.297 78 HB3 CYS 16 HB3 CYS 16 -3.032 -8.815 4.787 79 H ALA 17 H ALA 17 -1.343 -6.695 5.234 80 HA ALA 17 HA ALA 17 1.102 -6.275 3.689 81 HB1 ALA 17 HB1 ALA 17 1.960 -5.154 5.652 82 HB2 ALA 17 HB2 ALA 17 0.361 -4.522 5.256 83 HB3 ALA 17 HB3 ALA 17 0.555 -5.660 6.590 84 H ALA 18 H ALA 18 -0.352 -8.695 5.422 85 HA ALA 18 HA ALA 18 0.323 -10.771 6.094 86 HB1 ALA 18 HB1 ALA 18 3.201 -10.227 5.621 87 HB2 ALA 18 HB2 ALA 18 2.246 -11.675 5.319 88 H SER 19 H SER 19 3.059 -8.601 6.879 89 HA SER 19 HA SER 19 3.606 -9.661 9.382 90 HB2 SER 19 HB2 SER 19 4.945 -7.753 9.773 91 HB3 SER 19 HB3 SER 19 4.958 -7.954 8.021 92 HG SER 19 HG SER 19 4.547 -5.769 8.823 Start of MODEL 13 1 H1 ALA 1 H ALA 1 4.294 -1.971 -2.420 2 HA ALA 1 HA ALA 1 2.075 -0.184 -2.260 3 HB1 ALA 1 HB1 ALA 1 4.552 0.166 -3.114 4 HB2 ALA 1 HB2 ALA 1 3.814 -0.224 -4.668 5 HB3 ALA 1 HB3 ALA 1 3.215 1.141 -3.725 6 H CYS 2 H CYS 2 0.143 -1.139 -2.712 7 HA CYS 2 HA CYS 2 -0.144 -2.350 -5.384 8 HB2 CYS 2 HB2 CYS 2 -0.752 -3.470 -2.893 9 HB3 CYS 2 HB3 CYS 2 -2.308 -2.994 -3.567 10 H GLY 3 H GLY 3 -1.894 -0.517 -2.880 11 HA2 GLY 3 HA2 GLY 3 -3.061 1.499 -3.294 12 HA3 GLY 3 HA3 GLY 3 -3.111 1.091 -5.003 13 H DBB 4 H DBB 4 -4.042 -1.661 -4.437 14 HA DBB 4 HA DBB 4 -6.537 -1.360 -3.068 15 HB2 DBB 4 HB DBB 4 -5.313 -3.398 -3.071 16 HG1 DBB 4 HG21 DBB 4 -7.141 -4.662 -2.842 17 HG2 DBB 4 HG22 DBB 4 -7.777 -4.243 -4.433 18 HG3 DBB 4 HG23 DBB 4 -7.944 -3.112 -3.088 19 H GLY 5 H GLY 5 -5.707 -1.545 -6.554 20 HA2 GLY 5 HA2 GLY 5 -8.255 -0.201 -7.081 21 HA3 GLY 5 HA3 GLY 5 -6.889 -0.298 -8.182 22 H ASP 6 H ASP 6 -7.891 -1.124 -9.952 23 HA ASP 6 HA ASP 6 -9.724 -3.329 -9.776 24 HB2 ASP 6 HB2 ASP 6 -8.422 -1.957 -12.134 25 HB3 ASP 6 HB3 ASP 6 -9.599 -3.259 -12.287 26 H GLY 7 H GLY 7 -9.370 -5.460 -10.187 27 HA2 GLY 7 HA2 GLY 7 -8.205 -7.426 -10.402 28 HA3 GLY 7 HA3 GLY 7 -7.162 -6.554 -11.516 29 H CYS 8 H CYS 8 -7.527 -5.522 -8.211 30 HA CYS 8 HA CYS 8 -4.735 -5.621 -7.739 31 HB2 CYS 8 HB2 CYS 8 -6.711 -4.215 -6.623 32 HB3 CYS 8 HB3 CYS 8 -6.622 -5.515 -5.439 33 H ALA 9 H ALA 9 -3.760 -6.761 -5.840 34 HA ALA 9 HA ALA 9 -4.509 -9.577 -5.951 35 HB1 ALA 9 HB1 ALA 9 -2.191 -8.945 -4.320 36 HB2 ALA 9 HB2 ALA 9 -2.335 -10.010 -5.719 37 HB3 ALA 9 HB3 ALA 9 -2.071 -8.281 -5.950 38 H LYS 10 H LYS 10 -3.732 -10.638 -3.644 39 HA LYS 10 HA LYS 10 -5.153 -9.202 -1.511 40 HB2 LYS 10 HB2 LYS 10 -5.505 -12.148 -2.084 41 HB3 LYS 10 HB3 LYS 10 -6.329 -11.207 -0.847 42 HG2 LYS 10 HG2 LYS 10 -7.014 -9.818 -3.058 43 HG3 LYS 10 HG3 LYS 10 -6.876 -11.447 -3.723 44 HD2 LYS 10 HD2 LYS 10 -8.343 -11.145 -1.164 45 HD3 LYS 10 HD3 LYS 10 -9.126 -10.527 -2.621 46 HE2 LYS 10 HE2 LYS 10 -8.010 -13.314 -2.352 47 HE3 LYS 10 HE3 LYS 10 -9.697 -12.894 -2.055 48 HZ1 LYS 10 HZ1 LYS 10 -9.898 -13.409 -4.219 49 HZ2 LYS 10 HZ2 LYS 10 -8.264 -13.142 -4.565 50 HZ3 LYS 10 HZ3 LYS 10 -9.333 -11.834 -4.469 51 H DBB 11 H DBB 11 -4.661 -10.025 0.666 52 HA DBB 11 HA DBB 11 -2.581 -11.873 1.089 53 HB2 DBB 11 HB DBB 11 -4.231 -11.323 2.709 54 HG1 DBB 11 HG21 DBB 11 -1.495 -10.716 3.748 55 HG2 DBB 11 HG22 DBB 11 -2.086 -12.326 3.335 56 HG3 DBB 11 HG23 DBB 11 -2.834 -11.420 4.652 57 H CYS 12 H CYS 12 -0.341 -11.628 1.581 58 HA CYS 12 HA CYS 12 0.922 -9.150 1.955 59 HB2 CYS 12 HB2 CYS 12 1.840 -11.391 2.617 60 HB3 CYS 12 HB3 CYS 12 2.207 -11.684 0.920 61 H ALA 13 H ALA 13 -0.217 -10.655 -0.874 62 HA ALA 13 HA ALA 13 1.623 -9.617 -2.763 63 HB1 ALA 13 HB1 ALA 13 -1.259 -10.425 -3.144 64 HB2 ALA 13 HB2 ALA 13 -0.081 -10.161 -4.431 65 HB3 ALA 13 HB3 ALA 13 0.145 -11.484 -3.286 66 H ALA 14 H ALA 14 -1.254 -8.353 -1.266 67 HA ALA 14 HA ALA 14 -0.706 -5.672 -1.557 68 HB1 ALA 14 HB1 ALA 14 -2.101 -6.859 -3.882 69 HB2 ALA 14 HB2 ALA 14 -2.889 -5.482 -3.118 70 H SER 15 H SER 15 -2.637 -4.313 -0.964 71 HA SER 15 HA SER 15 -4.490 -3.895 0.315 72 HB2 SER 15 HB2 SER 15 -6.212 -5.318 0.075 73 HB3 SER 15 HB3 SER 15 -5.114 -6.356 -0.834 74 HG SER 15 HG SER 15 -6.189 -7.379 0.982 75 H CYS 16 H CYS 16 -2.913 -6.923 1.341 76 HA CYS 16 HA CYS 16 -3.077 -6.082 4.124 77 HB2 CYS 16 HB2 CYS 16 -1.856 -8.621 3.036 78 HB3 CYS 16 HB3 CYS 16 -2.387 -8.306 4.685 79 H ALA 17 H ALA 17 -1.163 -6.211 5.513 80 HA ALA 17 HA ALA 17 1.061 -4.839 4.298 81 HB1 ALA 17 HB1 ALA 17 1.908 -4.600 6.552 82 HB2 ALA 17 HB2 ALA 17 0.192 -4.194 6.510 83 HB3 ALA 17 HB3 ALA 17 0.714 -5.752 7.151 84 H ALA 18 H ALA 18 0.251 -8.033 4.764 85 HA ALA 18 HA ALA 18 1.348 -10.002 4.393 86 HB1 ALA 18 HB1 ALA 18 3.087 -8.082 3.155 87 HB2 ALA 18 HB2 ALA 18 4.031 -9.190 4.145 88 H SER 19 H SER 19 3.784 -7.887 5.943 89 HA SER 19 HA SER 19 5.029 -8.167 7.831 90 HB2 SER 19 HB2 SER 19 3.808 -8.430 9.804 91 HB3 SER 19 HB3 SER 19 2.575 -7.882 8.668 92 HG SER 19 HG SER 19 2.043 -9.775 9.999 Start of MODEL 14 1 H1 ALA 1 H ALA 1 -0.033 0.476 1.007 2 HA ALA 1 HA ALA 1 0.215 1.593 -1.228 3 HB1 ALA 1 HB1 ALA 1 2.258 1.065 -0.152 4 HB2 ALA 1 HB2 ALA 1 2.078 -0.655 -0.500 5 HB3 ALA 1 HB3 ALA 1 2.400 0.481 -1.811 6 H CYS 2 H CYS 2 -1.967 -0.193 -1.605 7 HA CYS 2 HA CYS 2 -1.206 -1.400 -4.183 8 HB2 CYS 2 HB2 CYS 2 -1.756 -3.045 -2.309 9 HB3 CYS 2 HB3 CYS 2 -3.411 -2.455 -2.416 10 H GLY 3 H GLY 3 -2.571 -1.076 -5.904 11 HA2 GLY 3 HA2 GLY 3 -4.138 1.243 -5.943 12 HA3 GLY 3 HA3 GLY 3 -4.161 -0.014 -7.172 13 H DBB 4 H DBB 4 -4.937 -1.927 -4.878 14 HA DBB 4 HA DBB 4 -7.467 -1.076 -3.974 15 HB2 DBB 4 HB DBB 4 -6.169 -2.760 -2.911 16 HG1 DBB 4 HG21 DBB 4 -7.994 -3.510 -1.952 17 HG2 DBB 4 HG22 DBB 4 -8.473 -4.421 -3.386 18 HG3 DBB 4 HG23 DBB 4 -8.890 -2.711 -3.243 19 H GLY 5 H GLY 5 -6.559 -2.445 -7.064 20 HA2 GLY 5 HA2 GLY 5 -8.923 -3.581 -7.926 21 HA3 GLY 5 HA3 GLY 5 -9.146 -1.847 -8.106 22 H ASP 6 H ASP 6 -8.961 -4.018 -10.118 23 HA ASP 6 HA ASP 6 -7.991 -4.455 -12.135 24 HB2 ASP 6 HB2 ASP 6 -8.731 -1.946 -12.215 25 HB3 ASP 6 HB3 ASP 6 -6.999 -1.626 -12.200 26 H GLY 7 H GLY 7 -6.392 -5.389 -10.210 27 HA2 GLY 7 HA2 GLY 7 -4.065 -6.107 -11.055 28 HA3 GLY 7 HA3 GLY 7 -3.683 -4.409 -10.816 29 H CYS 8 H CYS 8 -5.807 -4.923 -8.465 30 HA CYS 8 HA CYS 8 -3.719 -5.308 -6.482 31 HB2 CYS 8 HB2 CYS 8 -5.260 -3.503 -6.073 32 HB3 CYS 8 HB3 CYS 8 -6.642 -4.579 -6.245 33 H ALA 9 H ALA 9 -3.523 -7.022 -5.126 34 HA ALA 9 HA ALA 9 -5.399 -9.260 -5.535 35 HB1 ALA 9 HB1 ALA 9 -3.337 -10.654 -4.800 36 HB2 ALA 9 HB2 ALA 9 -3.431 -10.052 -6.456 37 HB3 ALA 9 HB3 ALA 9 -2.421 -9.222 -5.272 38 H LYS 10 H LYS 10 -5.384 -10.837 -3.665 39 HA LYS 10 HA LYS 10 -5.629 -9.307 -1.184 40 HB2 LYS 10 HB2 LYS 10 -6.586 -12.100 -1.839 41 HB3 LYS 10 HB3 LYS 10 -6.945 -11.205 -0.368 42 HG2 LYS 10 HG2 LYS 10 -7.666 -9.894 -2.913 43 HG3 LYS 10 HG3 LYS 10 -8.602 -11.321 -2.460 44 HD2 LYS 10 HD2 LYS 10 -8.756 -10.144 -0.140 45 HD3 LYS 10 HD3 LYS 10 -8.349 -8.691 -1.056 46 HE2 LYS 10 HE2 LYS 10 -10.269 -9.491 -2.630 47 HE3 LYS 10 HE3 LYS 10 -10.775 -10.430 -1.226 48 HZ1 LYS 10 HZ1 LYS 10 -10.914 -7.581 -1.688 49 HZ2 LYS 10 HZ2 LYS 10 -10.354 -8.009 -0.150 50 HZ3 LYS 10 HZ3 LYS 10 -11.860 -8.564 -0.687 51 H DBB 11 H DBB 11 -4.738 -10.049 0.794 52 HA DBB 11 HA DBB 11 -2.948 -12.298 0.747 53 HB2 DBB 11 HB DBB 11 -4.302 -11.803 2.637 54 HG1 DBB 11 HG21 DBB 11 -2.721 -12.312 4.313 55 HG2 DBB 11 HG22 DBB 11 -1.420 -11.546 3.402 56 HG3 DBB 11 HG23 DBB 11 -2.163 -13.031 2.804 57 H CYS 12 H CYS 12 -0.620 -12.209 1.350 58 HA CYS 12 HA CYS 12 0.788 -9.759 1.432 59 HB2 CYS 12 HB2 CYS 12 1.518 -12.029 2.358 60 HB3 CYS 12 HB3 CYS 12 2.000 -12.425 0.712 61 H ALA 13 H ALA 13 0.239 -8.551 -0.390 62 HA ALA 13 HA ALA 13 1.923 -8.792 -2.612 63 HB1 ALA 13 HB1 ALA 13 -0.839 -9.906 -2.984 64 HB2 ALA 13 HB2 ALA 13 0.093 -9.254 -4.333 65 HB3 ALA 13 HB3 ALA 13 0.712 -10.628 -3.416 66 H ALA 14 H ALA 14 -1.098 -7.619 -1.327 67 HA ALA 14 HA ALA 14 -0.515 -4.897 -1.901 68 HB1 ALA 14 HB1 ALA 14 -1.629 -5.917 -4.081 69 HB2 ALA 14 HB2 ALA 14 -3.060 -5.891 -3.056 70 H SER 15 H SER 15 -3.471 -6.853 -1.409 71 HA SER 15 HA SER 15 -4.724 -5.143 0.364 72 HB2 SER 15 HB2 SER 15 -4.866 -8.167 0.280 73 HB3 SER 15 HB3 SER 15 -6.015 -7.122 1.115 74 HG SER 15 HG SER 15 -7.005 -7.050 -0.730 75 H CYS 16 H CYS 16 -2.470 -7.788 1.064 76 HA CYS 16 HA CYS 16 -2.225 -6.741 3.809 77 HB2 CYS 16 HB2 CYS 16 -1.567 -9.573 3.030 78 HB3 CYS 16 HB3 CYS 16 -1.880 -8.921 4.636 79 H ALA 17 H ALA 17 -0.109 -6.930 4.794 80 HA ALA 17 HA ALA 17 2.006 -6.450 2.840 81 HB1 ALA 17 HB1 ALA 17 3.263 -5.504 4.677 82 HB2 ALA 17 HB2 ALA 17 1.640 -4.814 4.646 83 HB3 ALA 17 HB3 ALA 17 2.047 -6.057 5.830 84 H ALA 18 H ALA 18 0.836 -8.978 4.626 85 HA ALA 18 HA ALA 18 1.562 -11.113 4.993 86 HB1 ALA 18 HB1 ALA 18 4.301 -10.508 3.980 87 HB2 ALA 18 HB2 ALA 18 3.338 -11.977 3.855 88 H SER 19 H SER 19 4.482 -9.084 5.401 89 HA SER 19 HA SER 19 5.165 -10.365 7.859 90 HB2 SER 19 HB2 SER 19 6.943 -9.492 6.490 91 HB3 SER 19 HB3 SER 19 6.235 -7.877 6.511 92 HG SER 19 HG SER 19 7.148 -7.526 8.369 Start of MODEL 15 1 H1 ALA 1 H ALA 1 0.971 1.590 -0.557 2 HA ALA 1 HA ALA 1 3.288 -0.173 -0.951 3 HB1 ALA 1 HB1 ALA 1 2.377 -0.223 1.286 4 HB2 ALA 1 HB2 ALA 1 0.771 -0.590 0.656 5 HB3 ALA 1 HB3 ALA 1 2.074 -1.766 0.488 6 H CYS 2 H CYS 2 -0.101 0.259 -1.803 7 HA CYS 2 HA CYS 2 0.266 -1.362 -4.166 8 HB2 CYS 2 HB2 CYS 2 -0.368 -2.957 -2.288 9 HB3 CYS 2 HB3 CYS 2 -1.930 -2.145 -2.249 10 H GLY 3 H GLY 3 -0.979 -0.659 -5.813 11 HA2 GLY 3 HA2 GLY 3 -2.389 1.765 -5.585 12 HA3 GLY 3 HA3 GLY 3 -2.427 0.691 -6.975 13 H DBB 4 H DBB 4 -3.381 -1.422 -4.877 14 HA DBB 4 HA DBB 4 -5.859 -0.640 -3.912 15 HB2 DBB 4 HB DBB 4 -4.720 -2.632 -3.288 16 HG1 DBB 4 HG21 DBB 4 -6.884 -2.629 -2.583 17 HG2 DBB 4 HG22 DBB 4 -6.776 -4.185 -3.407 18 HG3 DBB 4 HG23 DBB 4 -7.533 -2.809 -4.212 19 H GLY 5 H GLY 5 -5.169 -1.960 -7.175 20 HA2 GLY 5 HA2 GLY 5 -7.439 -0.545 -8.212 21 HA3 GLY 5 HA3 GLY 5 -6.359 -1.593 -9.120 22 H ASP 6 H ASP 6 -8.441 -2.201 -10.147 23 HA ASP 6 HA ASP 6 -10.529 -3.497 -8.875 24 HB2 ASP 6 HB2 ASP 6 -10.769 -2.932 -11.176 25 HB3 ASP 6 HB3 ASP 6 -9.357 -3.882 -11.628 26 H GLY 7 H GLY 7 -8.172 -5.332 -10.804 27 HA2 GLY 7 HA2 GLY 7 -8.592 -7.648 -9.109 28 HA3 GLY 7 HA3 GLY 7 -7.631 -7.589 -10.579 29 H CYS 8 H CYS 8 -7.482 -5.806 -7.497 30 HA CYS 8 HA CYS 8 -4.642 -5.839 -7.450 31 HB2 CYS 8 HB2 CYS 8 -6.421 -4.269 -6.257 32 HB3 CYS 8 HB3 CYS 8 -6.206 -5.421 -4.943 33 H ALA 9 H ALA 9 -3.230 -6.988 -6.119 34 HA ALA 9 HA ALA 9 -3.955 -9.700 -5.632 35 HB1 ALA 9 HB1 ALA 9 -1.478 -8.572 -4.445 36 HB2 ALA 9 HB2 ALA 9 -1.732 -10.089 -5.310 37 HB3 ALA 9 HB3 ALA 9 -1.631 -8.571 -6.202 38 H LYS 10 H LYS 10 -5.331 -10.155 -4.024 39 HA LYS 10 HA LYS 10 -5.471 -8.652 -1.601 40 HB2 LYS 10 HB2 LYS 10 -6.619 -11.407 -1.950 41 HB3 LYS 10 HB3 LYS 10 -7.238 -10.072 -0.986 42 HG2 LYS 10 HG2 LYS 10 -8.658 -9.747 -2.669 43 HG3 LYS 10 HG3 LYS 10 -7.285 -9.033 -3.517 44 HD2 LYS 10 HD2 LYS 10 -8.017 -10.577 -5.062 45 HD3 LYS 10 HD3 LYS 10 -6.793 -11.510 -4.197 46 HE2 LYS 10 HE2 LYS 10 -8.491 -13.022 -4.141 47 HE3 LYS 10 HE3 LYS 10 -8.887 -12.119 -2.680 48 HZ1 LYS 10 HZ1 LYS 10 -10.033 -11.033 -5.094 49 HZ2 LYS 10 HZ2 LYS 10 -10.750 -11.322 -3.591 50 HZ3 LYS 10 HZ3 LYS 10 -10.592 -12.582 -4.708 51 H DBB 11 H DBB 11 -5.099 -9.488 0.554 52 HA DBB 11 HA DBB 11 -3.583 -11.874 0.897 53 HB2 DBB 11 HB DBB 11 -5.081 -11.035 2.541 54 HG1 DBB 11 HG21 DBB 11 -2.421 -10.984 3.851 55 HG2 DBB 11 HG22 DBB 11 -2.972 -12.428 3.000 56 HG3 DBB 11 HG23 DBB 11 -3.901 -11.794 4.360 57 H CYS 12 H CYS 12 -1.358 -12.081 1.720 58 HA CYS 12 HA CYS 12 0.381 -9.865 1.911 59 HB2 CYS 12 HB2 CYS 12 0.802 -12.009 3.050 60 HB3 CYS 12 HB3 CYS 12 1.056 -12.785 1.490 61 H ALA 13 H ALA 13 0.120 -8.674 -0.013 62 HA ALA 13 HA ALA 13 2.005 -9.240 -2.032 63 HB1 ALA 13 HB1 ALA 13 0.444 -10.897 -2.803 64 HB2 ALA 13 HB2 ALA 13 -0.874 -9.725 -2.782 65 HB3 ALA 13 HB3 ALA 13 0.447 -9.546 -3.937 66 H ALA 14 H ALA 14 -0.908 -7.547 -1.109 67 HA ALA 14 HA ALA 14 0.171 -4.971 -1.549 68 HB1 ALA 14 HB1 ALA 14 -0.571 -5.672 -3.925 69 HB2 ALA 14 HB2 ALA 14 -2.187 -5.705 -3.228 70 H SER 15 H SER 15 -3.130 -6.337 -1.700 71 HA SER 15 HA SER 15 -4.433 -4.486 -0.187 72 HB2 SER 15 HB2 SER 15 -4.914 -7.475 -0.102 73 HB3 SER 15 HB3 SER 15 -6.071 -6.231 0.372 74 HG SER 15 HG SER 15 -6.144 -5.530 -1.754 75 H CYS 16 H CYS 16 -2.591 -7.263 1.004 76 HA CYS 16 HA CYS 16 -2.797 -6.145 3.724 77 HB2 CYS 16 HB2 CYS 16 -2.165 -9.012 3.006 78 HB3 CYS 16 HB3 CYS 16 -2.523 -8.365 4.604 79 H ALA 17 H ALA 17 -0.964 -5.745 4.864 80 HA ALA 17 HA ALA 17 1.432 -5.251 3.533 81 HB1 ALA 17 HB1 ALA 17 2.420 -4.983 5.776 82 HB2 ALA 17 HB2 ALA 17 0.878 -4.144 5.610 83 HB3 ALA 17 HB3 ALA 17 0.959 -5.675 6.481 84 H ALA 18 H ALA 18 0.186 -8.159 4.802 85 HA ALA 18 HA ALA 18 0.918 -10.323 4.718 86 HB1 ALA 18 HB1 ALA 18 2.526 -9.099 2.751 87 HB2 ALA 18 HB2 ALA 18 3.623 -9.882 3.884 88 H SER 19 H SER 19 3.767 -8.278 5.434 89 HA SER 19 HA SER 19 4.526 -10.017 7.610 90 HB2 SER 19 HB2 SER 19 5.724 -7.346 6.845 91 HB3 SER 19 HB3 SER 19 6.468 -8.601 7.835 92 HG SER 19 HG SER 19 7.087 -9.570 6.083 Start of MODEL 16 1 H1 ALA 1 H ALA 1 3.877 -1.624 -1.498 2 HA ALA 1 HA ALA 1 1.490 -0.025 -1.557 3 HB1 ALA 1 HB1 ALA 1 3.610 -0.146 -3.688 4 HB2 ALA 1 HB2 ALA 1 2.513 1.184 -3.312 5 HB3 ALA 1 HB3 ALA 1 3.806 0.763 -2.189 6 H CYS 2 H CYS 2 -0.366 -0.707 -2.382 7 HA CYS 2 HA CYS 2 -0.312 -2.323 -4.836 8 HB2 CYS 2 HB2 CYS 2 -0.772 -3.711 -2.762 9 HB3 CYS 2 HB3 CYS 2 -2.270 -2.803 -2.588 10 H GLY 3 H GLY 3 -2.198 -0.226 -2.695 11 HA2 GLY 3 HA2 GLY 3 -3.496 1.603 -3.364 12 HA3 GLY 3 HA3 GLY 3 -3.376 1.052 -5.028 13 H DBB 4 H DBB 4 -4.176 -1.703 -3.714 14 HA DBB 4 HA DBB 4 -6.756 -1.494 -2.752 15 HB2 DBB 4 HB DBB 4 -5.439 -3.472 -2.709 16 HG1 DBB 4 HG21 DBB 4 -7.728 -3.703 -2.262 17 HG2 DBB 4 HG22 DBB 4 -7.253 -5.096 -3.235 18 HG3 DBB 4 HG23 DBB 4 -8.130 -3.756 -3.977 19 H GLY 5 H GLY 5 -5.882 -1.890 -6.227 20 HA2 GLY 5 HA2 GLY 5 -8.442 -0.576 -6.843 21 HA3 GLY 5 HA3 GLY 5 -7.036 -0.616 -7.897 22 H ASP 6 H ASP 6 -7.972 -1.490 -9.687 23 HA ASP 6 HA ASP 6 -9.724 -3.742 -9.583 24 HB2 ASP 6 HB2 ASP 6 -9.539 -3.727 -12.038 25 HB3 ASP 6 HB3 ASP 6 -9.866 -2.116 -11.404 26 H GLY 7 H GLY 7 -9.321 -5.883 -9.956 27 HA2 GLY 7 HA2 GLY 7 -8.102 -7.830 -9.890 28 HA3 GLY 7 HA3 GLY 7 -7.082 -7.042 -11.084 29 H CYS 8 H CYS 8 -7.450 -5.719 -7.885 30 HA CYS 8 HA CYS 8 -4.681 -5.640 -7.409 31 HB2 CYS 8 HB2 CYS 8 -6.702 -4.324 -6.326 32 HB3 CYS 8 HB3 CYS 8 -6.611 -5.609 -5.126 33 H ALA 9 H ALA 9 -3.340 -6.856 -6.093 34 HA ALA 9 HA ALA 9 -3.875 -9.636 -5.971 35 HB1 ALA 9 HB1 ALA 9 -1.721 -8.583 -4.259 36 HB2 ALA 9 HB2 ALA 9 -1.688 -9.862 -5.474 37 HB3 ALA 9 HB3 ALA 9 -1.615 -8.172 -5.972 38 H LYS 10 H LYS 10 -4.012 -10.985 -4.106 39 HA LYS 10 HA LYS 10 -5.289 -9.641 -1.819 40 HB2 LYS 10 HB2 LYS 10 -5.575 -12.504 -2.750 41 HB3 LYS 10 HB3 LYS 10 -6.414 -11.781 -1.384 42 HG2 LYS 10 HG2 LYS 10 -6.769 -10.331 -3.897 43 HG3 LYS 10 HG3 LYS 10 -7.398 -11.980 -3.916 44 HD2 LYS 10 HD2 LYS 10 -8.607 -11.458 -1.792 45 HD3 LYS 10 HD3 LYS 10 -8.092 -9.780 -1.973 46 HE2 LYS 10 HE2 LYS 10 -9.225 -9.719 -4.175 47 HE3 LYS 10 HE3 LYS 10 -9.809 -11.357 -3.887 48 HZ1 LYS 10 HZ1 LYS 10 -10.769 -8.857 -2.836 49 HZ2 LYS 10 HZ2 LYS 10 -10.572 -10.049 -1.652 50 HZ3 LYS 10 HZ3 LYS 10 -11.565 -10.342 -2.990 51 H DBB 11 H DBB 11 -4.414 -9.809 0.164 52 HA DBB 11 HA DBB 11 -2.572 -11.989 0.698 53 HB2 DBB 11 HB DBB 11 -4.285 -11.463 2.261 54 HG1 DBB 11 HG21 DBB 11 -2.218 -12.516 2.961 55 HG2 DBB 11 HG22 DBB 11 -2.961 -11.594 4.268 56 HG3 DBB 11 HG23 DBB 11 -1.567 -10.939 3.405 57 H CYS 12 H CYS 12 -0.365 -11.746 1.413 58 HA CYS 12 HA CYS 12 0.895 -9.288 1.840 59 HB2 CYS 12 HB2 CYS 12 1.759 -11.552 2.520 60 HB3 CYS 12 HB3 CYS 12 2.230 -11.810 0.843 61 H ALA 13 H ALA 13 -0.049 -10.811 -1.068 62 HA ALA 13 HA ALA 13 1.875 -9.765 -2.846 63 HB1 ALA 13 HB1 ALA 13 0.439 -11.582 -3.514 64 HB2 ALA 13 HB2 ALA 13 -0.991 -10.565 -3.333 65 HB3 ALA 13 HB3 ALA 13 0.188 -10.213 -4.597 66 H ALA 14 H ALA 14 -1.057 -8.457 -1.497 67 HA ALA 14 HA ALA 14 -0.449 -5.787 -1.702 68 HB1 ALA 14 HB1 ALA 14 -0.706 -6.114 -4.192 69 HB2 ALA 14 HB2 ALA 14 -2.326 -6.710 -3.847 70 H SER 15 H SER 15 -2.406 -4.401 -1.252 71 HA SER 15 HA SER 15 -4.352 -3.973 -0.123 72 HB2 SER 15 HB2 SER 15 -5.061 -6.191 -1.448 73 HB3 SER 15 HB3 SER 15 -5.090 -6.838 0.192 74 HG SER 15 HG SER 15 -6.637 -5.379 0.746 75 H CYS 16 H CYS 16 -2.909 -7.035 0.998 76 HA CYS 16 HA CYS 16 -3.307 -6.249 3.766 77 HB2 CYS 16 HB2 CYS 16 -1.957 -8.732 2.690 78 HB3 CYS 16 HB3 CYS 16 -2.548 -8.472 4.328 79 H ALA 17 H ALA 17 -1.417 -6.656 5.294 80 HA ALA 17 HA ALA 17 0.836 -5.090 4.333 81 HB1 ALA 17 HB1 ALA 17 1.432 -4.790 6.603 82 HB2 ALA 17 HB2 ALA 17 -0.326 -4.659 6.531 83 HB3 ALA 17 HB3 ALA 17 0.425 -6.142 7.121 84 H ALA 18 H ALA 18 0.044 -8.319 4.664 85 HA ALA 18 HA ALA 18 1.199 -10.262 4.331 86 HB1 ALA 18 HB1 ALA 18 2.979 -8.279 3.240 87 HB2 ALA 18 HB2 ALA 18 3.874 -9.423 4.236 88 H SER 19 H SER 19 3.519 -8.135 6.034 89 HA SER 19 HA SER 19 3.927 -10.222 8.021 90 HB2 SER 19 HB2 SER 19 5.770 -8.835 8.821 91 HB3 SER 19 HB3 SER 19 5.876 -9.023 7.071 92 HG SER 19 HG SER 19 6.186 -6.841 7.832 Start of MODEL 17 1 H1 ALA 1 H ALA 1 2.765 1.364 -3.984 2 HA ALA 1 HA ALA 1 2.507 -0.875 -2.084 3 HB1 ALA 1 HB1 ALA 1 1.910 1.119 -0.912 4 HB2 ALA 1 HB2 ALA 1 0.866 1.647 -2.233 5 HB3 ALA 1 HB3 ALA 1 0.425 0.236 -1.271 6 H CYS 2 H CYS 2 0.013 -1.571 -2.140 7 HA CYS 2 HA CYS 2 -0.373 -2.695 -4.734 8 HB2 CYS 2 HB2 CYS 2 -0.990 -3.742 -2.485 9 HB3 CYS 2 HB3 CYS 2 -2.399 -2.686 -2.500 10 H GLY 3 H GLY 3 -2.092 -0.236 -2.831 11 HA2 GLY 3 HA2 GLY 3 -3.202 1.641 -3.668 12 HA3 GLY 3 HA3 GLY 3 -3.030 0.990 -5.292 13 H DBB 4 H DBB 4 -4.145 -1.599 -3.827 14 HA DBB 4 HA DBB 4 -6.758 -1.103 -3.088 15 HB2 DBB 4 HB DBB 4 -5.622 -3.170 -2.788 16 HG1 DBB 4 HG21 DBB 4 -7.525 -4.292 -2.586 17 HG2 DBB 4 HG22 DBB 4 -7.937 -4.128 -4.293 18 HG3 DBB 4 HG23 DBB 4 -8.244 -2.795 -3.177 19 H GLY 5 H GLY 5 -5.599 -1.646 -6.441 20 HA2 GLY 5 HA2 GLY 5 -8.012 -0.256 -7.346 21 HA3 GLY 5 HA3 GLY 5 -6.556 -0.526 -8.292 22 H ASP 6 H ASP 6 -7.567 -1.408 -10.064 23 HA ASP 6 HA ASP 6 -9.476 -3.525 -9.848 24 HB2 ASP 6 HB2 ASP 6 -9.423 -1.946 -11.759 25 HB3 ASP 6 HB3 ASP 6 -7.880 -2.634 -12.259 26 H GLY 7 H GLY 7 -9.206 -5.700 -10.024 27 HA2 GLY 7 HA2 GLY 7 -8.131 -7.724 -9.912 28 HA3 GLY 7 HA3 GLY 7 -6.996 -7.041 -11.066 29 H CYS 8 H CYS 8 -7.372 -5.473 -8.013 30 HA CYS 8 HA CYS 8 -4.675 -5.565 -7.355 31 HB2 CYS 8 HB2 CYS 8 -6.673 -4.152 -6.386 32 HB3 CYS 8 HB3 CYS 8 -6.733 -5.438 -5.185 33 H ALA 9 H ALA 9 -3.389 -6.948 -6.263 34 HA ALA 9 HA ALA 9 -4.123 -9.653 -6.013 35 HB1 ALA 9 HB1 ALA 9 -1.770 -8.391 -6.137 36 HB2 ALA 9 HB2 ALA 9 -1.846 -8.677 -4.398 37 HB3 ALA 9 HB3 ALA 9 -1.946 -10.034 -5.521 38 H LYS 10 H LYS 10 -3.872 -10.913 -3.939 39 HA LYS 10 HA LYS 10 -5.157 -9.467 -1.714 40 HB2 LYS 10 HB2 LYS 10 -5.570 -12.358 -2.500 41 HB3 LYS 10 HB3 LYS 10 -6.350 -11.529 -1.159 42 HG2 LYS 10 HG2 LYS 10 -6.770 -10.105 -3.628 43 HG3 LYS 10 HG3 LYS 10 -7.294 -11.786 -3.763 44 HD2 LYS 10 HD2 LYS 10 -8.646 -11.521 -1.736 45 HD3 LYS 10 HD3 LYS 10 -8.126 -9.839 -1.611 46 HE2 LYS 10 HE2 LYS 10 -9.092 -10.159 -4.224 47 HE3 LYS 10 HE3 LYS 10 -10.247 -10.985 -3.178 48 HZ1 LYS 10 HZ1 LYS 10 -9.640 -8.600 -1.924 49 HZ2 LYS 10 HZ2 LYS 10 -11.085 -9.005 -2.704 50 HZ3 LYS 10 HZ3 LYS 10 -9.860 -8.207 -3.555 51 H DBB 11 H DBB 11 -4.566 -10.051 0.406 52 HA DBB 11 HA DBB 11 -2.636 -12.100 0.860 53 HB2 DBB 11 HB DBB 11 -4.290 -11.498 2.458 54 HG1 DBB 11 HG21 DBB 11 -1.600 -10.957 3.633 55 HG2 DBB 11 HG22 DBB 11 -2.109 -12.545 3.058 56 HG3 DBB 11 HG23 DBB 11 -2.969 -11.770 4.390 57 H CYS 12 H CYS 12 -0.399 -11.937 1.446 58 HA CYS 12 HA CYS 12 0.963 -9.533 1.858 59 HB2 CYS 12 HB2 CYS 12 1.772 -11.846 2.448 60 HB3 CYS 12 HB3 CYS 12 2.172 -12.070 0.748 61 H ALA 13 H ALA 13 -0.153 -10.974 -1.035 62 HA ALA 13 HA ALA 13 1.719 -9.959 -2.879 63 HB1 ALA 13 HB1 ALA 13 0.193 -11.702 -3.524 64 HB2 ALA 13 HB2 ALA 13 -1.193 -10.649 -3.237 65 HB3 ALA 13 HB3 ALA 13 -0.075 -10.296 -4.555 66 H ALA 14 H ALA 14 -1.100 -8.569 -1.376 67 HA ALA 14 HA ALA 14 -0.407 -5.924 -1.532 68 HB1 ALA 14 HB1 ALA 14 -0.684 -5.973 -3.968 69 HB2 ALA 14 HB2 ALA 14 -2.208 -6.827 -3.749 70 H SER 15 H SER 15 -2.311 -4.478 -1.015 71 HA SER 15 HA SER 15 -4.222 -4.013 0.161 72 HB2 SER 15 HB2 SER 15 -5.990 -5.364 -0.179 73 HB3 SER 15 HB3 SER 15 -4.893 -6.391 -1.102 74 HG SER 15 HG SER 15 -6.196 -7.149 0.945 75 H CYS 16 H CYS 16 -2.723 -7.080 1.172 76 HA CYS 16 HA CYS 16 -3.065 -6.338 3.972 77 HB2 CYS 16 HB2 CYS 16 -1.851 -8.861 2.830 78 HB3 CYS 16 HB3 CYS 16 -2.380 -8.596 4.488 79 H ALA 17 H ALA 17 -1.131 -6.884 5.426 80 HA ALA 17 HA ALA 17 1.146 -5.380 4.417 81 HB1 ALA 17 HB1 ALA 17 1.906 -5.392 6.759 82 HB2 ALA 17 HB2 ALA 17 0.267 -4.762 6.587 83 HB3 ALA 17 HB3 ALA 17 0.523 -6.400 7.186 84 H ALA 18 H ALA 18 0.234 -8.575 4.690 85 HA ALA 18 HA ALA 18 1.296 -10.555 4.281 86 HB1 ALA 18 HB1 ALA 18 3.134 -8.620 3.199 87 HB2 ALA 18 HB2 ALA 18 4.002 -9.828 4.142 88 H SER 19 H SER 19 3.756 -8.583 5.974 89 HA SER 19 HA SER 19 4.499 -10.672 7.724 90 HB2 SER 19 HB2 SER 19 4.883 -7.704 8.167 91 HB3 SER 19 HB3 SER 19 5.824 -9.014 8.881 92 HG SER 19 HG SER 19 6.289 -7.757 6.619 Start of MODEL 18 1 H1 ALA 1 H ALA 1 2.866 0.834 -5.925 2 HA ALA 1 HA ALA 1 2.527 -0.900 -3.671 3 HB1 ALA 1 HB1 ALA 1 2.577 1.177 -2.450 4 HB2 ALA 1 HB2 ALA 1 1.368 1.879 -3.526 5 HB3 ALA 1 HB3 ALA 1 0.930 0.547 -2.457 6 H CYS 2 H CYS 2 0.202 -1.524 -3.393 7 HA CYS 2 HA CYS 2 -0.931 -2.114 -5.935 8 HB2 CYS 2 HB2 CYS 2 -1.266 -2.988 -3.231 9 HB3 CYS 2 HB3 CYS 2 -2.847 -2.583 -3.891 10 H GLY 3 H GLY 3 -2.588 -1.190 -7.018 11 HA2 GLY 3 HA2 GLY 3 -3.351 1.469 -6.346 12 HA3 GLY 3 HA3 GLY 3 -3.999 0.508 -7.668 13 H DBB 4 H DBB 4 -4.484 -1.490 -5.220 14 HA DBB 4 HA DBB 4 -6.556 -0.255 -3.758 15 HB2 DBB 4 HB DBB 4 -5.334 -2.146 -2.997 16 HG1 DBB 4 HG21 DBB 4 -6.977 -2.647 -1.626 17 HG2 DBB 4 HG22 DBB 4 -7.945 -3.381 -2.905 18 HG3 DBB 4 HG23 DBB 4 -7.991 -1.635 -2.653 19 H GLY 5 H GLY 5 -6.644 -1.788 -6.920 20 HA2 GLY 5 HA2 GLY 5 -9.523 -2.026 -6.923 21 HA3 GLY 5 HA3 GLY 5 -8.926 -0.627 -7.802 22 H ASP 6 H ASP 6 -8.657 -0.927 -9.901 23 HA ASP 6 HA ASP 6 -8.909 -3.462 -11.124 24 HB2 ASP 6 HB2 ASP 6 -8.215 -2.218 -13.212 25 HB3 ASP 6 HB3 ASP 6 -9.606 -1.548 -12.364 26 H GLY 7 H GLY 7 -7.323 -4.829 -10.271 27 HA2 GLY 7 HA2 GLY 7 -5.268 -5.809 -11.279 28 HA3 GLY 7 HA3 GLY 7 -4.568 -4.203 -11.142 29 H CYS 8 H CYS 8 -6.188 -4.140 -8.465 30 HA CYS 8 HA CYS 8 -3.956 -4.846 -6.826 31 HB2 CYS 8 HB2 CYS 8 -5.305 -2.960 -6.182 32 HB3 CYS 8 HB3 CYS 8 -6.762 -3.948 -6.152 33 H ALA 9 H ALA 9 -3.705 -6.542 -5.425 34 HA ALA 9 HA ALA 9 -5.584 -8.776 -5.783 35 HB1 ALA 9 HB1 ALA 9 -2.718 -8.851 -4.847 36 HB2 ALA 9 HB2 ALA 9 -3.756 -10.243 -5.157 37 HB3 ALA 9 HB3 ALA 9 -3.268 -9.193 -6.488 38 H LYS 10 H LYS 10 -5.002 -10.355 -3.669 39 HA LYS 10 HA LYS 10 -5.617 -8.703 -1.309 40 HB2 LYS 10 HB2 LYS 10 -7.147 -10.474 -0.544 41 HB3 LYS 10 HB3 LYS 10 -7.664 -9.774 -2.072 42 HG2 LYS 10 HG2 LYS 10 -7.940 -11.938 -2.626 43 HG3 LYS 10 HG3 LYS 10 -6.219 -11.824 -3.003 44 HD2 LYS 10 HD2 LYS 10 -6.134 -13.659 -1.671 45 HD3 LYS 10 HD3 LYS 10 -6.043 -12.432 -0.405 46 HE2 LYS 10 HE2 LYS 10 -7.678 -14.055 0.243 47 HE3 LYS 10 HE3 LYS 10 -8.521 -12.569 -0.190 48 HZ1 LYS 10 HZ1 LYS 10 -9.410 -14.792 -1.070 49 HZ2 LYS 10 HZ2 LYS 10 -8.139 -14.708 -2.182 50 HZ3 LYS 10 HZ3 LYS 10 -9.310 -13.488 -2.144 51 H DBB 11 H DBB 11 -5.040 -9.657 0.753 52 HA DBB 11 HA DBB 11 -3.356 -11.994 0.699 53 HB2 DBB 11 HB DBB 11 -4.900 -11.610 2.465 54 HG1 DBB 11 HG21 DBB 11 -2.881 -12.959 2.760 55 HG2 DBB 11 HG22 DBB 11 -3.512 -12.309 4.274 56 HG3 DBB 11 HG23 DBB 11 -2.098 -11.572 3.517 57 H CYS 12 H CYS 12 -1.113 -12.059 1.585 58 HA CYS 12 HA CYS 12 0.334 -9.622 1.932 59 HB2 CYS 12 HB2 CYS 12 0.838 -11.847 3.049 60 HB3 CYS 12 HB3 CYS 12 1.516 -12.368 1.510 61 H ALA 13 H ALA 13 0.069 -8.484 -0.016 62 HA ALA 13 HA ALA 13 2.110 -8.797 -1.903 63 HB1 ALA 13 HB1 ALA 13 1.085 -10.660 -2.855 64 HB2 ALA 13 HB2 ALA 13 -0.533 -9.978 -2.681 65 HB3 ALA 13 HB3 ALA 13 0.573 -9.327 -3.891 66 H ALA 14 H ALA 14 -1.084 -7.598 -1.195 67 HA ALA 14 HA ALA 14 -0.375 -4.911 -1.956 68 HB1 ALA 14 HB1 ALA 14 -2.017 -6.544 -3.696 69 HB2 ALA 14 HB2 ALA 14 -2.959 -5.265 -2.936 70 H SER 15 H SER 15 -3.426 -6.665 -1.325 71 HA SER 15 HA SER 15 -4.543 -4.728 0.321 72 HB2 SER 15 HB2 SER 15 -5.799 -6.626 -0.667 73 HB3 SER 15 HB3 SER 15 -5.007 -7.717 0.470 74 HG SER 15 HG SER 15 -7.114 -6.976 1.143 75 H CYS 16 H CYS 16 -3.326 -7.858 1.516 76 HA CYS 16 HA CYS 16 -2.886 -6.694 4.136 77 HB2 CYS 16 HB2 CYS 16 -2.185 -9.511 3.349 78 HB3 CYS 16 HB3 CYS 16 -2.642 -8.893 4.933 79 H ALA 17 H ALA 17 -0.858 -6.918 5.276 80 HA ALA 17 HA ALA 17 1.416 -6.465 3.493 81 HB1 ALA 17 HB1 ALA 17 2.512 -5.450 5.371 82 HB2 ALA 17 HB2 ALA 17 0.875 -4.802 5.258 83 HB3 ALA 17 HB3 ALA 17 1.257 -6.025 6.470 84 H ALA 18 H ALA 18 0.076 -8.931 5.263 85 HA ALA 18 HA ALA 18 0.746 -11.062 5.744 86 HB1 ALA 18 HB1 ALA 18 3.566 -10.591 4.956 87 HB2 ALA 18 HB2 ALA 18 2.523 -11.985 4.696 88 H SER 19 H SER 19 3.639 -9.029 6.297 89 HA SER 19 HA SER 19 3.768 -10.092 9.025 90 HB2 SER 19 HB2 SER 19 6.046 -8.751 8.886 91 HB3 SER 19 HB3 SER 19 5.888 -10.343 8.146 92 HG SER 19 HG SER 19 6.802 -8.529 6.838 Start of MODEL 19 1 H1 ALA 1 H ALA 1 3.772 -0.806 -5.644 2 HA ALA 1 HA ALA 1 1.386 -0.200 -4.183 3 HB1 ALA 1 HB1 ALA 1 2.449 1.610 -5.279 4 HB2 ALA 1 HB2 ALA 1 2.461 0.760 -6.824 5 HB3 ALA 1 HB3 ALA 1 0.936 1.324 -6.140 6 H CYS 2 H CYS 2 0.038 -1.971 -4.152 7 HA CYS 2 HA CYS 2 -0.627 -3.452 -6.503 8 HB2 CYS 2 HB2 CYS 2 -1.582 -3.407 -3.668 9 HB3 CYS 2 HB3 CYS 2 -2.561 -4.224 -4.883 10 H GLY 3 H GLY 3 -1.934 -0.658 -4.881 11 HA2 GLY 3 HA2 GLY 3 -3.288 0.931 -6.018 12 HA3 GLY 3 HA3 GLY 3 -3.853 -0.351 -7.079 13 H DBB 4 H DBB 4 -4.528 -2.246 -5.066 14 HA DBB 4 HA DBB 4 -6.099 -1.312 -3.016 15 HB2 DBB 4 HB DBB 4 -5.508 -3.588 -3.361 16 HG1 DBB 4 HG21 DBB 4 -7.169 -3.211 -1.784 17 HG2 DBB 4 HG22 DBB 4 -7.723 -4.600 -2.719 18 HG3 DBB 4 HG23 DBB 4 -8.413 -3.002 -3.015 19 H GLY 5 H GLY 5 -7.319 -1.930 -6.353 20 HA2 GLY 5 HA2 GLY 5 -9.900 -0.858 -5.743 21 HA3 GLY 5 HA3 GLY 5 -8.875 0.329 -6.537 22 H ASP 6 H ASP 6 -7.471 -1.549 -8.198 23 HA ASP 6 HA ASP 6 -9.443 -2.928 -9.788 24 HB2 ASP 6 HB2 ASP 6 -9.378 -0.360 -10.396 25 HB3 ASP 6 HB3 ASP 6 -7.927 -0.826 -11.279 26 H GLY 7 H GLY 7 -8.303 -4.793 -9.773 27 HA2 GLY 7 HA2 GLY 7 -6.759 -6.280 -10.655 28 HA3 GLY 7 HA3 GLY 7 -5.943 -4.926 -11.423 29 H CYS 8 H CYS 8 -6.660 -5.586 -8.003 30 HA CYS 8 HA CYS 8 -3.770 -5.372 -7.469 31 HB2 CYS 8 HB2 CYS 8 -4.493 -4.666 -5.151 32 HB3 CYS 8 HB3 CYS 8 -4.867 -3.523 -6.437 33 H ALA 9 H ALA 9 -2.999 -6.591 -5.570 34 HA ALA 9 HA ALA 9 -4.175 -9.260 -5.568 35 HB1 ALA 9 HB1 ALA 9 -1.533 -8.243 -5.436 36 HB2 ALA 9 HB2 ALA 9 -1.844 -9.139 -3.949 37 HB3 ALA 9 HB3 ALA 9 -2.061 -9.925 -5.513 38 H LYS 10 H LYS 10 -4.255 -10.459 -3.486 39 HA LYS 10 HA LYS 10 -5.143 -8.687 -1.305 40 HB2 LYS 10 HB2 LYS 10 -6.511 -10.783 -0.635 41 HB3 LYS 10 HB3 LYS 10 -7.082 -9.790 -1.970 42 HG2 LYS 10 HG2 LYS 10 -5.285 -12.009 -2.695 43 HG3 LYS 10 HG3 LYS 10 -6.875 -12.462 -2.077 44 HD2 LYS 10 HD2 LYS 10 -7.783 -10.736 -3.759 45 HD3 LYS 10 HD3 LYS 10 -6.188 -10.840 -4.506 46 HE2 LYS 10 HE2 LYS 10 -7.382 -12.426 -5.688 47 HE3 LYS 10 HE3 LYS 10 -6.609 -13.401 -4.440 48 HZ1 LYS 10 HZ1 LYS 10 -9.146 -12.372 -3.610 49 HZ2 LYS 10 HZ2 LYS 10 -8.571 -13.962 -3.591 50 HZ3 LYS 10 HZ3 LYS 10 -9.274 -13.334 -4.996 51 H DBB 11 H DBB 11 -4.948 -9.639 0.895 52 HA DBB 11 HA DBB 11 -3.213 -11.839 1.311 53 HB2 DBB 11 HB DBB 11 -4.889 -11.169 2.858 54 HG1 DBB 11 HG21 DBB 11 -2.884 -12.469 3.497 55 HG2 DBB 11 HG22 DBB 11 -3.709 -11.676 4.840 56 HG3 DBB 11 HG23 DBB 11 -2.217 -10.992 4.189 57 H CYS 12 H CYS 12 -1.009 -11.935 2.025 58 HA CYS 12 HA CYS 12 0.533 -9.643 2.585 59 HB2 CYS 12 HB2 CYS 12 1.068 -11.976 3.324 60 HB3 CYS 12 HB3 CYS 12 1.547 -12.340 1.670 61 H ALA 13 H ALA 13 -0.577 -10.890 -0.347 62 HA ALA 13 HA ALA 13 1.607 -10.106 -2.019 63 HB1 ALA 13 HB1 ALA 13 -0.070 -10.404 -3.863 64 HB2 ALA 13 HB2 ALA 13 0.168 -11.815 -2.831 65 HB3 ALA 13 HB3 ALA 13 -1.259 -10.801 -2.622 66 H ALA 14 H ALA 14 -1.206 -8.551 -0.743 67 HA ALA 14 HA ALA 14 -0.400 -5.945 -1.041 68 HB1 ALA 14 HB1 ALA 14 -2.005 -6.990 -3.355 69 HB2 ALA 14 HB2 ALA 14 -2.274 -5.366 -2.729 70 H SER 15 H SER 15 -2.188 -4.401 -0.538 71 HA SER 15 HA SER 15 -4.068 -3.783 0.615 72 HB2 SER 15 HB2 SER 15 -5.054 -5.852 -0.709 73 HB3 SER 15 HB3 SER 15 -5.032 -6.601 0.887 74 HG SER 15 HG SER 15 -6.958 -5.254 0.092 75 H CYS 16 H CYS 16 -3.056 -7.011 1.753 76 HA CYS 16 HA CYS 16 -3.261 -6.143 4.512 77 HB2 CYS 16 HB2 CYS 16 -2.250 -8.797 3.480 78 HB3 CYS 16 HB3 CYS 16 -2.845 -8.433 5.096 79 H ALA 17 H ALA 17 -1.505 -6.339 6.028 80 HA ALA 17 HA ALA 17 0.921 -5.214 5.030 81 HB1 ALA 17 HB1 ALA 17 1.662 -5.298 7.379 82 HB2 ALA 17 HB2 ALA 17 0.073 -4.554 7.196 83 HB3 ALA 17 HB3 ALA 17 0.209 -6.211 7.785 84 H ALA 18 H ALA 18 -0.183 -8.384 5.569 85 HA ALA 18 HA ALA 18 0.744 -10.437 5.187 86 HB1 ALA 18 HB1 ALA 18 2.381 -8.793 3.633 87 HB2 ALA 18 HB2 ALA 18 3.468 -9.579 4.773 88 H SER 19 H SER 19 3.291 -8.366 6.614 89 HA SER 19 HA SER 19 3.554 -10.363 8.763 90 HB2 SER 19 HB2 SER 19 5.829 -9.148 9.090 91 HB3 SER 19 HB3 SER 19 5.652 -10.257 7.730 92 HG SER 19 HG SER 19 6.574 -8.033 7.369 Start of MODEL 20 1 H1 ALA 1 H ALA 1 0.112 2.344 -0.719 2 HA ALA 1 HA ALA 1 -0.346 -0.143 0.122 3 HB1 ALA 1 HB1 ALA 1 -2.719 0.348 0.278 4 HB2 ALA 1 HB2 ALA 1 -1.768 1.774 0.695 5 HB3 ALA 1 HB3 ALA 1 -2.542 1.661 -0.886 6 H CYS 2 H CYS 2 0.615 -0.213 -2.664 7 HA CYS 2 HA CYS 2 0.453 -1.622 -4.445 8 HB2 CYS 2 HB2 CYS 2 -0.291 -3.228 -2.588 9 HB3 CYS 2 HB3 CYS 2 -1.934 -2.911 -3.133 10 H GLY 3 H GLY 3 -1.519 0.765 -3.798 11 HA2 GLY 3 HA2 GLY 3 -2.875 2.009 -5.200 12 HA3 GLY 3 HA3 GLY 3 -2.726 0.740 -6.406 13 H DBB 4 H DBB 4 -3.771 -1.446 -5.197 14 HA DBB 4 HA DBB 4 -6.127 -1.000 -3.753 15 HB2 DBB 4 HB DBB 4 -4.997 -3.088 -3.876 16 HG1 DBB 4 HG21 DBB 4 -6.835 -4.191 -3.329 17 HG2 DBB 4 HG22 DBB 4 -7.587 -3.940 -4.905 18 HG3 DBB 4 HG23 DBB 4 -7.647 -2.667 -3.684 19 H GLY 5 H GLY 5 -5.879 -1.603 -7.304 20 HA2 GLY 5 HA2 GLY 5 -8.482 -0.220 -7.525 21 HA3 GLY 5 HA3 GLY 5 -7.176 0.006 -8.678 22 H ASP 6 H ASP 6 -7.258 -1.156 -10.480 23 HA ASP 6 HA ASP 6 -9.242 -3.275 -10.688 24 HB2 ASP 6 HB2 ASP 6 -7.629 -1.709 -12.683 25 HB3 ASP 6 HB3 ASP 6 -8.468 -3.182 -13.160 26 H GLY 7 H GLY 7 -8.809 -5.401 -11.017 27 HA2 GLY 7 HA2 GLY 7 -7.610 -7.358 -10.963 28 HA3 GLY 7 HA3 GLY 7 -6.454 -6.519 -11.986 29 H CYS 8 H CYS 8 -7.403 -5.966 -8.604 30 HA CYS 8 HA CYS 8 -4.572 -5.978 -7.877 31 HB2 CYS 8 HB2 CYS 8 -6.789 -4.429 -7.075 32 HB3 CYS 8 HB3 CYS 8 -6.330 -5.391 -5.674 33 H ALA 9 H ALA 9 -3.948 -7.014 -5.813 34 HA ALA 9 HA ALA 9 -5.240 -9.639 -5.591 35 HB1 ALA 9 HB1 ALA 9 -2.664 -9.124 -4.231 36 HB2 ALA 9 HB2 ALA 9 -3.216 -10.543 -5.121 37 HB3 ALA 9 HB3 ALA 9 -2.652 -9.119 -5.995 38 H LYS 10 H LYS 10 -4.407 -10.459 -3.132 39 HA LYS 10 HA LYS 10 -5.249 -8.489 -1.163 40 HB2 LYS 10 HB2 LYS 10 -6.942 -10.046 -0.206 41 HB3 LYS 10 HB3 LYS 10 -7.373 -9.428 -1.795 42 HG2 LYS 10 HG2 LYS 10 -6.987 -11.470 -2.834 43 HG3 LYS 10 HG3 LYS 10 -5.998 -12.070 -1.500 44 HD2 LYS 10 HD2 LYS 10 -7.939 -13.213 -1.097 45 HD3 LYS 10 HD3 LYS 10 -8.246 -11.755 -0.151 46 HE2 LYS 10 HE2 LYS 10 -10.203 -12.274 -1.451 47 HE3 LYS 10 HE3 LYS 10 -9.461 -10.808 -2.092 48 HZ1 LYS 10 HZ1 LYS 10 -9.861 -13.359 -3.353 49 HZ2 LYS 10 HZ2 LYS 10 -8.285 -12.774 -3.533 50 HZ3 LYS 10 HZ3 LYS 10 -9.597 -11.839 -4.048 51 H DBB 11 H DBB 11 -4.998 -9.317 1.084 52 HA DBB 11 HA DBB 11 -3.631 -11.732 1.569 53 HB2 DBB 11 HB DBB 11 -4.942 -10.591 3.191 54 HG1 DBB 11 HG21 DBB 11 -3.081 -12.181 3.729 55 HG2 DBB 11 HG22 DBB 11 -3.682 -11.194 5.062 56 HG3 DBB 11 HG23 DBB 11 -2.163 -10.775 4.265 57 H CYS 12 H CYS 12 -1.410 -12.190 2.072 58 HA CYS 12 HA CYS 12 0.566 -10.136 2.056 59 HB2 CYS 12 HB2 CYS 12 0.825 -12.214 3.358 60 HB3 CYS 12 HB3 CYS 12 0.903 -13.137 1.861 61 H ALA 13 H ALA 13 -0.081 -9.226 -0.061 62 HA ALA 13 HA ALA 13 1.702 -10.180 -2.114 63 HB1 ALA 13 HB1 ALA 13 -1.212 -10.009 -2.835 64 HB2 ALA 13 HB2 ALA 13 0.121 -10.628 -3.810 65 HB3 ALA 13 HB3 ALA 13 -0.423 -11.523 -2.392 66 H ALA 14 H ALA 14 -0.828 -7.964 -1.146 67 HA ALA 14 HA ALA 14 0.620 -5.641 -1.872 68 HB1 ALA 14 HB1 ALA 14 -0.706 -6.602 -4.047 69 HB2 ALA 14 HB2 ALA 14 -1.988 -5.732 -3.211 70 H SER 15 H SER 15 -2.834 -6.536 -1.596 71 HA SER 15 HA SER 15 -3.739 -4.372 -0.207 72 HB2 SER 15 HB2 SER 15 -4.569 -7.254 0.209 73 HB3 SER 15 HB3 SER 15 -5.497 -5.847 0.727 74 HG SER 15 HG SER 15 -5.515 -5.223 -1.532 75 H CYS 16 H CYS 16 -2.325 -7.313 1.204 76 HA CYS 16 HA CYS 16 -2.080 -5.890 3.767 77 HB2 CYS 16 HB2 CYS 16 -1.809 -8.863 3.310 78 HB3 CYS 16 HB3 CYS 16 -1.986 -8.027 4.849 79 H ALA 17 H ALA 17 -0.121 -5.699 4.785 80 HA ALA 17 HA ALA 17 2.195 -5.588 3.206 81 HB1 ALA 17 HB1 ALA 17 3.282 -4.800 5.077 82 HB2 ALA 17 HB2 ALA 17 1.602 -4.427 5.464 83 HB3 ALA 17 HB3 ALA 17 2.377 -5.843 6.174 84 H ALA 18 H ALA 18 0.707 -8.198 4.764 85 HA ALA 18 HA ALA 18 1.184 -10.432 4.848 86 HB1 ALA 18 HB1 ALA 18 2.890 -9.550 2.766 87 HB2 ALA 18 HB2 ALA 18 3.886 -10.416 3.931 88 H SER 19 H SER 19 4.283 -8.704 5.319 89 HA SER 19 HA SER 19 4.464 -9.996 7.963 90 HB2 SER 19 HB2 SER 19 6.171 -10.782 6.322 91 HB3 SER 19 HB3 SER 19 6.769 -9.128 6.203 92 HG SER 19 HG SER 19 6.810 -10.852 8.445
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