NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
556755 | 2lxg | 20048 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 H CYS 1 2.351 9.051 -3.941 2 HA CYS 1 HA CYS 1 2.486 6.643 -4.540 3 HB2 CYS 1 2HB CYS 1 3.147 7.634 -2.160 4 HB3 CYS 1 1HB CYS 1 1.816 6.608 -1.617 5 H CYS 2 H CYS 2 1.407 4.480 -3.324 6 HA CYS 2 HA CYS 2 -1.273 4.331 -4.429 7 HB2 CYS 2 2HB CYS 2 -1.130 2.023 -3.456 8 HB3 CYS 2 1HB CYS 2 0.290 2.448 -4.420 9 H ASN 3 H ASN 3 -2.789 2.938 -2.640 10 HA ASN 3 HA ASN 3 -3.193 4.914 -0.424 11 HB2 ASN 3 2HB ASN 3 -5.554 3.942 -0.542 12 HB3 ASN 3 1HB ASN 3 -5.029 4.836 -1.972 13 HD21 ASN 3 1HD2 ASN 3 -6.728 2.153 -1.254 14 HD22 ASN 3 2HD2 ASN 3 -6.276 1.138 -2.537 15 H CYS 4 H CYS 4 -3.158 4.164 1.677 16 HA CYS 4 HA CYS 4 -2.088 1.551 2.268 17 HB2 CYS 4 2HB CYS 4 -3.263 3.862 3.808 18 HB3 CYS 4 1HB CYS 4 -2.785 2.378 4.641 19 H SER 5 H SER 5 -5.208 2.465 1.392 20 HA SER 5 HA SER 5 -6.742 0.768 3.195 21 HB2 SER 5 2HB SER 5 -7.424 1.879 0.457 22 HB3 SER 5 1HB SER 5 -8.566 1.374 1.698 23 HG SER 5 HG SER 5 -8.420 3.371 2.334 24 H SER 6 H SER 6 -4.650 0.067 0.638 25 HA SER 6 HA SER 6 -6.039 -2.545 0.128 26 HB2 SER 6 2HB SER 6 -5.206 -0.424 -1.610 27 HB3 SER 6 1HB SER 6 -4.227 -1.848 -1.968 28 HG SER 6 HG SER 6 -6.517 -1.483 -2.913 29 H LYS 7 H LYS 7 -4.817 -4.338 0.614 30 HA LYS 7 HA LYS 7 -2.347 -4.232 1.990 31 HB2 LYS 7 2HB LYS 7 -4.201 -6.097 1.485 32 HB3 LYS 7 1HB LYS 7 -3.027 -6.576 0.259 33 HG2 LYS 7 2HG LYS 7 -2.437 -7.814 2.207 34 HG3 LYS 7 1HG LYS 7 -1.272 -6.492 2.124 35 HD2 LYS 7 2HD LYS 7 -2.807 -5.182 3.662 36 HD3 LYS 7 1HD LYS 7 -3.727 -6.670 3.885 37 HE2 LYS 7 2HE LYS 7 -1.143 -7.537 4.314 38 HE3 LYS 7 1HE LYS 7 -1.123 -5.910 5.024 39 HZ1 LYS 7 3HZ LYS 7 -3.292 -7.879 5.501 40 HZ2 LYS 7 1HZ LYS 7 -3.052 -6.401 6.295 41 HZ3 LYS 7 2HZ LYS 7 -1.966 -7.682 6.546 42 H TRP 8 H TRP 8 -3.019 -4.536 -1.484 43 HA TRP 8 HA TRP 8 -0.433 -5.178 -2.439 44 HB2 TRP 8 2HB TRP 8 -2.386 -5.175 -3.861 45 HB3 TRP 8 1HB TRP 8 -2.687 -3.466 -3.531 46 HD1 TRP 8 HD TRP 8 -0.562 -5.791 -5.628 47 HE1 TRP 8 1HE TRP 8 0.779 -4.404 -7.339 48 HE3 TRP 8 3HE TRP 8 -1.555 -1.084 -3.917 49 HZ2 TRP 8 2HZ TRP 8 1.355 -1.659 -7.906 50 HZ3 TRP 8 3HZ TRP 8 -0.599 0.897 -5.060 51 HH2 TRP 8 HH TRP 8 0.853 0.616 -7.050 52 H CYS 9 H CYS 9 -1.902 -1.963 -1.888 53 HA CYS 9 HA CYS 9 0.280 -0.324 -2.619 54 HB2 CYS 9 2HB CYS 9 -1.894 0.571 -2.100 55 HB3 CYS 9 1HB CYS 9 -1.867 -0.130 -0.487 56 H ARG 10 H ARG 10 -0.550 -1.582 0.610 57 HA ARG 10 HA ARG 10 1.737 -0.648 2.003 58 HB2 ARG 10 2HB ARG 10 -0.102 -3.032 2.338 59 HB3 ARG 10 1HB ARG 10 1.053 -2.521 3.564 60 HG2 ARG 10 2HG ARG 10 -0.204 -0.730 4.183 61 HG3 ARG 10 1HG ARG 10 -0.640 -0.348 2.517 62 HD2 ARG 10 2HD ARG 10 -2.679 -1.032 3.604 63 HD3 ARG 10 1HD ARG 10 -2.175 -2.412 2.606 64 HE ARG 10 HE ARG 10 -0.881 -2.770 5.061 65 HH11 ARG 10 1HH2 ARG 10 -4.116 -2.429 3.895 66 HH12 ARG 10 2HH2 ARG 10 -4.804 -3.416 5.141 67 HH21 ARG 10 1HH1 ARG 10 -1.771 -4.057 6.690 68 HH22 ARG 10 2HH1 ARG 10 -3.480 -4.336 6.720 69 H ASP 11 H ASP 11 1.293 -3.473 -0.071 70 HA ASP 11 HA ASP 11 3.898 -4.620 0.769 71 HB2 ASP 11 2HB ASP 11 1.482 -5.429 -0.779 72 HB3 ASP 11 1HB ASP 11 3.000 -6.222 -1.201 73 H HIS 12 H HIS 12 2.381 -3.278 -2.183 74 HA HIS 12 HA HIS 12 4.882 -3.513 -3.710 75 HB2 HIS 12 2HB HIS 12 2.047 -2.670 -4.126 76 HB3 HIS 12 1HB HIS 12 3.252 -2.055 -5.263 77 HD1 HIS 12 1HD HIS 12 3.709 -3.567 -7.181 78 HD2 HIS 12 2HD HIS 12 2.379 -5.694 -3.852 79 HE1 HIS 12 1HE HIS 12 3.557 -5.991 -7.896 80 H SER 13 H SER 13 4.172 -1.488 -1.278 81 HA SER 13 HA SER 13 5.949 0.619 -2.299 82 HB2 SER 13 2HB SER 13 3.634 1.982 -1.336 83 HB3 SER 13 1HB SER 13 4.295 1.990 -2.970 84 HG SER 13 HG SER 13 2.569 0.005 -1.899 85 H ARG 14 H ARG 14 6.858 1.824 -0.580 86 HA ARG 14 HA ARG 14 6.244 0.784 2.150 87 HB2 ARG 14 2HB ARG 14 8.590 2.356 1.033 88 HB3 ARG 14 1HB ARG 14 8.504 1.643 2.644 89 HG2 ARG 14 2HG ARG 14 7.854 -0.357 0.675 90 HG3 ARG 14 1HG ARG 14 9.396 0.396 0.266 91 HD2 ARG 14 2HD ARG 14 10.445 -0.425 2.143 92 HD3 ARG 14 1HD ARG 14 8.981 -0.298 3.137 93 HE ARG 14 HE ARG 14 8.341 -2.457 2.401 94 HH11 ARG 14 1HH2 ARG 14 10.862 -1.111 0.460 95 HH12 ARG 14 2HH2 ARG 14 11.136 -2.574 -0.424 96 HH21 ARG 14 1HH1 ARG 14 8.686 -4.364 1.248 97 HH22 ARG 14 2HH1 ARG 14 9.904 -4.412 0.018 98 H CYS 15 H CYS 15 4.874 3.065 0.495 99 HA CYS 15 HA CYS 15 5.449 5.532 1.897 100 HB2 CYS 15 2HB CYS 15 3.059 4.547 0.306 101 HB3 CYS 15 1HB CYS 15 3.332 6.228 0.763 102 H CYS 16 H CYS 16 3.686 2.699 2.743 103 HA CYS 16 HA CYS 16 1.921 4.106 4.667 104 HB2 CYS 16 2HB CYS 16 1.585 1.947 3.088 105 HB3 CYS 16 1HB CYS 16 2.175 1.137 4.543 106 HN1 NH2 17 1H CYS 16 4.996 2.411 4.631 107 HN2 NH2 17 2H CYS 16 5.224 2.367 6.313 Start of MODEL 2 1 H1 CYS 1 H CYS 1 1.649 9.276 -3.473 2 HA CYS 1 HA CYS 1 2.373 7.078 -4.051 3 HB2 CYS 1 2HB CYS 1 2.297 7.046 -1.047 4 HB3 CYS 1 1HB CYS 1 2.481 5.518 -1.918 5 H CYS 2 H CYS 2 1.372 4.650 -3.412 6 HA CYS 2 HA CYS 2 -1.314 4.684 -4.391 7 HB2 CYS 2 2HB CYS 2 -1.195 2.250 -3.693 8 HB3 CYS 2 1HB CYS 2 0.161 2.788 -4.687 9 H ASN 3 H ASN 3 -3.005 3.286 -2.965 10 HA ASN 3 HA ASN 3 -3.452 4.900 -0.517 11 HB2 ASN 3 2HB ASN 3 -5.032 4.048 -2.586 12 HB3 ASN 3 1HB ASN 3 -5.387 2.826 -1.359 13 HD21 ASN 3 1HD2 ASN 3 -6.178 3.645 0.784 14 HD22 ASN 3 2HD2 ASN 3 -6.972 5.144 0.862 15 H CYS 4 H CYS 4 -3.017 4.063 1.485 16 HA CYS 4 HA CYS 4 -1.813 1.522 1.926 17 HB2 CYS 4 2HB CYS 4 -3.161 3.637 3.586 18 HB3 CYS 4 1HB CYS 4 -2.656 2.127 4.352 19 H SER 5 H SER 5 -5.200 2.532 1.943 20 HA SER 5 HA SER 5 -6.531 0.526 3.295 21 HB2 SER 5 2HB SER 5 -7.730 2.281 2.208 22 HB3 SER 5 1HB SER 5 -7.051 1.869 0.636 23 HG SER 5 HG SER 5 -8.820 0.741 0.451 24 H SER 6 H SER 6 -5.110 0.265 0.036 25 HA SER 6 HA SER 6 -5.959 -2.546 -0.225 26 HB2 SER 6 2HB SER 6 -4.910 -0.364 -1.865 27 HB3 SER 6 1HB SER 6 -4.162 -1.913 -2.255 28 HG SER 6 HG SER 6 -6.926 -1.844 -1.866 29 H LYS 7 H LYS 7 -4.778 -4.086 0.833 30 HA LYS 7 HA LYS 7 -2.314 -3.892 2.101 31 HB2 LYS 7 2HB LYS 7 -3.915 -6.032 0.786 32 HB3 LYS 7 1HB LYS 7 -2.241 -6.437 1.167 33 HG2 LYS 7 2HG LYS 7 -2.856 -6.785 3.302 34 HG3 LYS 7 1HG LYS 7 -3.259 -5.073 3.426 35 HD2 LYS 7 2HD LYS 7 -5.500 -5.719 2.306 36 HD3 LYS 7 1HD LYS 7 -5.075 -7.379 2.730 37 HE2 LYS 7 2HE LYS 7 -4.574 -5.912 5.072 38 HE3 LYS 7 1HE LYS 7 -6.111 -5.278 4.451 39 HZ1 LYS 7 3HZ LYS 7 -7.065 -7.371 4.415 40 HZ2 LYS 7 1HZ LYS 7 -6.153 -7.427 5.844 41 HZ3 LYS 7 2HZ LYS 7 -5.570 -8.177 4.436 42 H TRP 8 H TRP 8 -2.935 -4.438 -1.349 43 HA TRP 8 HA TRP 8 -0.354 -5.087 -2.269 44 HB2 TRP 8 2HB TRP 8 -2.271 -5.121 -3.718 45 HB3 TRP 8 1HB TRP 8 -2.613 -3.417 -3.406 46 HD1 TRP 8 HD TRP 8 -0.401 -5.713 -5.452 47 HE1 TRP 8 1HE TRP 8 0.908 -4.315 -7.176 48 HE3 TRP 8 3HE TRP 8 -1.561 -1.009 -3.838 49 HZ2 TRP 8 2HZ TRP 8 1.398 -1.565 -7.791 50 HZ3 TRP 8 3HZ TRP 8 -0.661 0.978 -5.013 51 HH2 TRP 8 HH TRP 8 0.816 0.707 -6.984 52 H CYS 9 H CYS 9 -1.802 -1.844 -1.847 53 HA CYS 9 HA CYS 9 0.369 -0.229 -2.608 54 HB2 CYS 9 2HB CYS 9 -1.867 0.581 -2.013 55 HB3 CYS 9 1HB CYS 9 -1.641 0.055 -0.349 56 H ARG 10 H ARG 10 -0.373 -1.495 0.646 57 HA ARG 10 HA ARG 10 2.029 -0.549 1.899 58 HB2 ARG 10 2HB ARG 10 -0.097 -2.609 2.444 59 HB3 ARG 10 1HB ARG 10 1.277 -2.447 3.532 60 HG2 ARG 10 2HG ARG 10 0.767 -0.073 3.873 61 HG3 ARG 10 1HG ARG 10 -0.577 -0.186 2.738 62 HD2 ARG 10 2HD ARG 10 -0.448 -2.000 5.151 63 HD3 ARG 10 1HD ARG 10 -1.151 -0.374 5.260 64 HE ARG 10 HE ARG 10 -2.326 -1.410 2.990 65 HH11 ARG 10 1HH2 ARG 10 -1.936 -2.480 6.252 66 HH12 ARG 10 2HH2 ARG 10 -3.415 -3.380 6.268 67 HH21 ARG 10 1HH1 ARG 10 -4.256 -2.580 3.003 68 HH22 ARG 10 2HH1 ARG 10 -4.725 -3.439 4.432 69 H ASP 11 H ASP 11 1.235 -3.535 0.164 70 HA ASP 11 HA ASP 11 3.746 -4.843 0.945 71 HB2 ASP 11 2HB ASP 11 1.189 -5.501 -0.203 72 HB3 ASP 11 1HB ASP 11 2.467 -6.133 -1.241 73 H HIS 12 H HIS 12 2.337 -3.766 -2.176 74 HA HIS 12 HA HIS 12 4.753 -4.138 -3.690 75 HB2 HIS 12 2HB HIS 12 2.099 -2.800 -3.985 76 HB3 HIS 12 1HB HIS 12 3.366 -2.350 -5.131 77 HD1 HIS 12 1HD HIS 12 3.437 -3.804 -7.144 78 HD2 HIS 12 2HD HIS 12 1.974 -5.869 -3.831 79 HE1 HIS 12 1HE HIS 12 2.864 -6.135 -7.949 80 H SER 13 H SER 13 3.361 -1.314 -2.021 81 HA SER 13 HA SER 13 5.853 0.218 -2.667 82 HB2 SER 13 2HB SER 13 3.116 1.145 -1.737 83 HB3 SER 13 1HB SER 13 4.444 2.186 -2.254 84 HG SER 13 HG SER 13 2.686 1.490 -3.825 85 H ARG 14 H ARG 14 5.898 2.066 -0.695 86 HA ARG 14 HA ARG 14 5.665 0.670 1.922 87 HB2 ARG 14 2HB ARG 14 8.087 1.324 2.349 88 HB3 ARG 14 1HB ARG 14 7.862 0.058 1.142 89 HG2 ARG 14 2HG ARG 14 9.176 1.365 -0.170 90 HG3 ARG 14 1HG ARG 14 7.715 2.321 -0.403 91 HD2 ARG 14 2HD ARG 14 8.652 3.308 1.995 92 HD3 ARG 14 1HD ARG 14 10.153 2.993 1.100 93 HE ARG 14 HE ARG 14 8.191 5.014 0.419 94 HH11 ARG 14 1HH2 ARG 14 10.410 2.684 -0.839 95 HH12 ARG 14 2HH2 ARG 14 10.659 3.534 -2.327 96 HH21 ARG 14 1HH1 ARG 14 8.507 6.130 -1.520 97 HH22 ARG 14 2HH1 ARG 14 9.586 5.483 -2.712 98 H CYS 15 H CYS 15 4.577 3.140 0.418 99 HA CYS 15 HA CYS 15 5.603 5.428 1.935 100 HB2 CYS 15 2HB CYS 15 3.293 4.936 0.037 101 HB3 CYS 15 1HB CYS 15 3.630 6.519 0.738 102 H CYS 16 H CYS 16 3.771 2.872 2.887 103 HA CYS 16 HA CYS 16 1.640 4.289 4.326 104 HB2 CYS 16 2HB CYS 16 1.933 1.807 3.315 105 HB3 CYS 16 1HB CYS 16 2.451 1.494 4.975 106 HN1 NH2 17 1H CYS 16 4.576 2.427 5.339 107 HN2 NH2 17 2H CYS 16 4.730 3.193 6.846 Start of MODEL 3 1 H1 CYS 1 H CYS 1 2.564 8.599 -2.889 2 HA CYS 1 HA CYS 1 2.319 6.526 -4.270 3 HB2 CYS 1 2HB CYS 1 2.693 4.882 -2.440 4 HB3 CYS 1 1HB CYS 1 3.604 6.374 -2.174 5 H CYS 2 H CYS 2 1.093 4.261 -3.960 6 HA CYS 2 HA CYS 2 -1.602 4.562 -4.701 7 HB2 CYS 2 2HB CYS 2 -1.704 2.109 -3.969 8 HB3 CYS 2 1HB CYS 2 -0.411 2.522 -5.102 9 H ASN 3 H ASN 3 -3.273 3.112 -3.151 10 HA ASN 3 HA ASN 3 -3.613 4.834 -0.755 11 HB2 ASN 3 2HB ASN 3 -5.891 3.921 -0.822 12 HB3 ASN 3 1HB ASN 3 -5.422 4.464 -2.437 13 HD21 ASN 3 1HD2 ASN 3 -7.078 2.018 -1.078 14 HD22 ASN 3 2HD2 ASN 3 -6.649 0.734 -2.103 15 H CYS 4 H CYS 4 -2.458 4.026 0.984 16 HA CYS 4 HA CYS 4 -1.573 1.444 1.517 17 HB2 CYS 4 2HB CYS 4 -2.658 3.614 3.335 18 HB3 CYS 4 1HB CYS 4 -1.795 2.196 3.939 19 H SER 5 H SER 5 -4.846 2.707 1.807 20 HA SER 5 HA SER 5 -6.101 0.863 3.491 21 HB2 SER 5 2HB SER 5 -7.781 2.172 2.734 22 HB3 SER 5 1HB SER 5 -6.760 2.739 1.415 23 HG SER 5 HG SER 5 -8.427 0.444 1.491 24 H SER 6 H SER 6 -4.882 0.371 0.224 25 HA SER 6 HA SER 6 -6.152 -2.296 0.005 26 HB2 SER 6 2HB SER 6 -4.850 -0.287 -1.710 27 HB3 SER 6 1HB SER 6 -4.444 -1.952 -2.134 28 HG SER 6 HG SER 6 -6.441 -0.957 -3.060 29 H LYS 7 H LYS 7 -5.113 -4.035 0.887 30 HA LYS 7 HA LYS 7 -2.663 -4.168 2.160 31 HB2 LYS 7 2HB LYS 7 -4.430 -6.047 0.677 32 HB3 LYS 7 1HB LYS 7 -2.801 -6.630 1.019 33 HG2 LYS 7 2HG LYS 7 -3.157 -5.949 3.426 34 HG3 LYS 7 1HG LYS 7 -4.844 -5.630 3.020 35 HD2 LYS 7 2HD LYS 7 -5.259 -7.811 3.401 36 HD3 LYS 7 1HD LYS 7 -4.313 -8.172 1.956 37 HE2 LYS 7 2HE LYS 7 -2.242 -7.987 3.530 38 HE3 LYS 7 1HE LYS 7 -3.424 -8.200 4.839 39 HZ1 LYS 7 3HZ LYS 7 -4.243 -10.179 3.791 40 HZ2 LYS 7 1HZ LYS 7 -2.563 -10.333 3.972 41 HZ3 LYS 7 2HZ LYS 7 -3.221 -9.958 2.452 42 H TRP 8 H TRP 8 -3.235 -4.691 -1.333 43 HA TRP 8 HA TRP 8 -0.645 -5.353 -2.183 44 HB2 TRP 8 2HB TRP 8 -2.469 -5.387 -3.719 45 HB3 TRP 8 1HB TRP 8 -2.891 -3.707 -3.369 46 HD1 TRP 8 HD TRP 8 -0.266 -5.822 -5.194 47 HE1 TRP 8 1HE TRP 8 0.931 -4.331 -6.923 48 HE3 TRP 8 3HE TRP 8 -2.295 -1.290 -4.005 49 HZ2 TRP 8 2HZ TRP 8 1.021 -1.579 -7.696 50 HZ3 TRP 8 3HZ TRP 8 -1.639 0.748 -5.252 51 HH2 TRP 8 HH TRP 8 0.015 0.610 -7.096 52 H CYS 9 H CYS 9 -2.040 -2.051 -2.043 53 HA CYS 9 HA CYS 9 0.178 -0.499 -2.670 54 HB2 CYS 9 2HB CYS 9 -2.138 0.254 -2.086 55 HB3 CYS 9 1HB CYS 9 -1.784 -0.068 -0.391 56 H ARG 10 H ARG 10 -0.645 -1.837 0.533 57 HA ARG 10 HA ARG 10 1.612 -0.860 1.964 58 HB2 ARG 10 2HB ARG 10 -0.143 -3.317 2.233 59 HB3 ARG 10 1HB ARG 10 0.979 -2.781 3.478 60 HG2 ARG 10 2HG ARG 10 -0.326 -1.001 4.081 61 HG3 ARG 10 1HG ARG 10 -0.874 -0.717 2.427 62 HD2 ARG 10 2HD ARG 10 -2.551 -2.366 2.563 63 HD3 ARG 10 1HD ARG 10 -1.775 -3.171 3.942 64 HE ARG 10 HE ARG 10 -3.575 -0.930 4.128 65 HH11 ARG 10 1HH2 ARG 10 -0.663 -2.292 5.390 66 HH12 ARG 10 2HH2 ARG 10 -0.824 -1.530 6.936 67 HH21 ARG 10 1HH1 ARG 10 -3.795 0.071 6.142 68 HH22 ARG 10 2HH1 ARG 10 -2.592 -0.193 7.362 69 H ASP 11 H ASP 11 1.118 -3.859 0.097 70 HA ASP 11 HA ASP 11 3.895 -4.733 0.679 71 HB2 ASP 11 2HB ASP 11 1.522 -5.933 -0.776 72 HB3 ASP 11 1HB ASP 11 3.074 -6.754 -0.604 73 H HIS 12 H HIS 12 2.821 -2.469 -1.308 74 HA HIS 12 HA HIS 12 4.691 -3.266 -3.507 75 HB2 HIS 12 2HB HIS 12 1.799 -2.514 -3.568 76 HB3 HIS 12 1HB HIS 12 2.818 -1.938 -4.892 77 HD1 HIS 12 1HD HIS 12 3.205 -3.566 -6.742 78 HD2 HIS 12 2HD HIS 12 2.109 -5.491 -3.211 79 HE1 HIS 12 1HE HIS 12 2.998 -6.027 -7.301 80 H SER 13 H SER 13 4.614 -1.301 -1.094 81 HA SER 13 HA SER 13 5.853 0.945 -2.546 82 HB2 SER 13 2HB SER 13 3.255 1.098 -1.006 83 HB3 SER 13 1HB SER 13 4.250 2.524 -1.300 84 HG SER 13 HG SER 13 2.964 0.823 -3.157 85 H ARG 14 H ARG 14 6.117 2.760 -0.556 86 HA ARG 14 HA ARG 14 7.104 1.266 1.844 87 HB2 ARG 14 2HB ARG 14 9.170 2.642 1.699 88 HB3 ARG 14 1HB ARG 14 8.952 1.630 0.271 89 HG2 ARG 14 2HG ARG 14 7.615 3.843 -0.530 90 HG3 ARG 14 1HG ARG 14 8.809 4.584 0.537 91 HD2 ARG 14 2HD ARG 14 10.199 4.470 -1.271 92 HD3 ARG 14 1HD ARG 14 10.322 2.743 -0.877 93 HE ARG 14 HE ARG 14 7.944 3.391 -2.442 94 HH11 ARG 14 1HH2 ARG 14 11.312 2.624 -2.482 95 HH12 ARG 14 2HH2 ARG 14 11.275 1.969 -4.084 96 HH21 ARG 14 1HH1 ARG 14 7.886 2.537 -4.533 97 HH22 ARG 14 2HH1 ARG 14 9.340 1.920 -5.244 98 H CYS 15 H CYS 15 5.112 3.649 0.725 99 HA CYS 15 HA CYS 15 5.670 5.714 2.735 100 HB2 CYS 15 2HB CYS 15 3.801 6.819 1.637 101 HB3 CYS 15 1HB CYS 15 4.824 6.095 0.398 102 H CYS 16 H CYS 16 3.540 2.932 2.384 103 HA CYS 16 HA CYS 16 1.621 3.651 4.403 104 HB2 CYS 16 2HB CYS 16 2.586 1.012 3.256 105 HB3 CYS 16 1HB CYS 16 1.140 1.195 4.247 106 HN1 NH2 17 1H CYS 16 4.934 2.754 4.672 107 HN2 NH2 17 2H CYS 16 4.925 2.291 6.306 Start of MODEL 4 1 H1 CYS 1 H CYS 1 2.293 7.551 -5.426 2 HA CYS 1 HA CYS 1 3.108 5.085 -4.128 3 HB2 CYS 1 2HB CYS 1 2.764 7.615 -2.608 4 HB3 CYS 1 1HB CYS 1 2.012 6.184 -1.898 5 H CYS 2 H CYS 2 0.897 4.773 -2.409 6 HA CYS 2 HA CYS 2 -1.509 5.409 -4.045 7 HB2 CYS 2 2HB CYS 2 -2.075 2.905 -3.834 8 HB3 CYS 2 1HB CYS 2 -0.800 3.334 -4.976 9 H ASN 3 H ASN 3 -3.288 3.735 -2.670 10 HA ASN 3 HA ASN 3 -3.367 5.079 -0.023 11 HB2 ASN 3 2HB ASN 3 -5.711 4.247 -0.075 12 HB3 ASN 3 1HB ASN 3 -5.306 5.153 -1.536 13 HD21 ASN 3 1HD2 ASN 3 -7.141 2.649 -0.845 14 HD22 ASN 3 2HD2 ASN 3 -6.789 1.587 -2.121 15 H CYS 4 H CYS 4 -3.084 4.005 1.864 16 HA CYS 4 HA CYS 4 -1.959 1.347 1.927 17 HB2 CYS 4 2HB CYS 4 -3.067 3.258 4.001 18 HB3 CYS 4 1HB CYS 4 -2.170 1.788 4.406 19 H SER 5 H SER 5 -5.158 2.421 1.645 20 HA SER 5 HA SER 5 -6.627 0.658 3.324 21 HB2 SER 5 2HB SER 5 -7.019 2.443 1.069 22 HB3 SER 5 1HB SER 5 -8.038 1.016 0.910 23 HG SER 5 HG SER 5 -7.841 2.281 3.401 24 H SER 6 H SER 6 -4.808 0.020 0.415 25 HA SER 6 HA SER 6 -6.069 -2.695 0.215 26 HB2 SER 6 2HB SER 6 -5.383 -0.626 -1.655 27 HB3 SER 6 1HB SER 6 -4.434 -2.066 -2.031 28 HG SER 6 HG SER 6 -7.198 -1.659 -2.056 29 H LYS 7 H LYS 7 -4.814 -4.368 0.897 30 HA LYS 7 HA LYS 7 -2.302 -4.301 2.057 31 HB2 LYS 7 2HB LYS 7 -3.630 -6.373 0.287 32 HB3 LYS 7 1HB LYS 7 -2.178 -6.712 1.230 33 HG2 LYS 7 2HG LYS 7 -3.377 -6.089 3.298 34 HG3 LYS 7 1HG LYS 7 -4.831 -5.762 2.355 35 HD2 LYS 7 2HD LYS 7 -5.322 -7.971 2.115 36 HD3 LYS 7 1HD LYS 7 -3.633 -8.417 1.869 37 HE2 LYS 7 2HE LYS 7 -3.826 -9.328 3.966 38 HE3 LYS 7 1HE LYS 7 -3.622 -7.652 4.515 39 HZ1 LYS 7 3HZ LYS 7 -6.278 -8.553 3.644 40 HZ2 LYS 7 1HZ LYS 7 -5.866 -7.356 4.772 41 HZ3 LYS 7 2HZ LYS 7 -5.739 -8.999 5.193 42 H TRP 8 H TRP 8 -3.013 -4.680 -1.421 43 HA TRP 8 HA TRP 8 -0.458 -5.107 -2.465 44 HB2 TRP 8 2HB TRP 8 -2.399 -5.108 -3.867 45 HB3 TRP 8 1HB TRP 8 -2.817 -3.455 -3.406 46 HD1 TRP 8 HD TRP 8 -0.471 -5.456 -5.635 47 HE1 TRP 8 1HE TRP 8 0.690 -3.853 -7.287 48 HE3 TRP 8 3HE TRP 8 -2.010 -0.969 -3.742 49 HZ2 TRP 8 2HZ TRP 8 0.932 -1.041 -7.746 50 HZ3 TRP 8 3HZ TRP 8 -1.302 1.152 -4.808 51 HH2 TRP 8 HH TRP 8 0.168 1.124 -6.805 52 H CYS 9 H CYS 9 -1.981 -1.920 -1.837 53 HA CYS 9 HA CYS 9 0.172 -0.244 -2.533 54 HB2 CYS 9 2HB CYS 9 -2.223 0.292 -1.808 55 HB3 CYS 9 1HB CYS 9 -1.662 0.114 -0.147 56 H ARG 10 H ARG 10 -0.503 -1.814 0.608 57 HA ARG 10 HA ARG 10 1.806 -0.759 1.964 58 HB2 ARG 10 2HB ARG 10 -0.065 -3.106 2.357 59 HB3 ARG 10 1HB ARG 10 1.181 -2.682 3.525 60 HG2 ARG 10 2HG ARG 10 0.218 -0.389 3.677 61 HG3 ARG 10 1HG ARG 10 -1.078 -0.894 2.593 62 HD2 ARG 10 2HD ARG 10 -0.729 -2.764 4.817 63 HD3 ARG 10 1HD ARG 10 -1.124 -1.124 5.364 64 HE ARG 10 HE ARG 10 -2.823 -1.562 3.201 65 HH11 ARG 10 1HH2 ARG 10 -2.103 -3.118 6.202 66 HH12 ARG 10 2HH2 ARG 10 -3.706 -3.742 6.409 67 HH21 ARG 10 1HH1 ARG 10 -4.914 -2.375 3.462 68 HH22 ARG 10 2HH1 ARG 10 -5.294 -3.322 4.861 69 H ASP 11 H ASP 11 1.311 -3.472 -0.202 70 HA ASP 11 HA ASP 11 3.935 -4.661 0.552 71 HB2 ASP 11 2HB ASP 11 1.721 -5.538 -1.329 72 HB3 ASP 11 1HB ASP 11 3.126 -6.509 -0.886 73 H HIS 12 H HIS 12 2.467 -2.690 -1.918 74 HA HIS 12 HA HIS 12 4.766 -3.175 -3.765 75 HB2 HIS 12 2HB HIS 12 1.937 -2.228 -3.971 76 HB3 HIS 12 1HB HIS 12 3.091 -1.638 -5.173 77 HD1 HIS 12 1HD HIS 12 3.980 -3.307 -6.893 78 HD2 HIS 12 2HD HIS 12 1.550 -5.088 -4.012 79 HE1 HIS 12 1HE HIS 12 3.536 -5.669 -7.692 80 H SER 13 H SER 13 3.850 -1.043 -1.331 81 HA SER 13 HA SER 13 5.762 1.007 -2.334 82 HB2 SER 13 2HB SER 13 3.354 2.119 -1.074 83 HB3 SER 13 1HB SER 13 4.153 2.590 -2.573 84 HG SER 13 HG SER 13 2.784 1.406 -3.639 85 H ARG 14 H ARG 14 6.612 2.336 -0.576 86 HA ARG 14 HA ARG 14 6.395 0.983 2.075 87 HB2 ARG 14 2HB ARG 14 8.534 2.214 2.494 88 HB3 ARG 14 1HB ARG 14 8.617 1.166 1.079 89 HG2 ARG 14 2HG ARG 14 7.637 3.672 0.176 90 HG3 ARG 14 1HG ARG 14 9.009 4.013 1.229 91 HD2 ARG 14 2HD ARG 14 10.036 1.930 -0.170 92 HD3 ARG 14 1HD ARG 14 8.958 2.624 -1.398 93 HE ARG 14 HE ARG 14 10.164 4.855 -0.360 94 HH11 ARG 14 1HH2 ARG 14 11.339 1.812 -1.503 95 HH12 ARG 14 2HH2 ARG 14 12.842 2.460 -2.068 96 HH21 ARG 14 1HH1 ARG 14 12.118 5.707 -1.093 97 HH22 ARG 14 2HH1 ARG 14 13.283 4.662 -1.837 98 H CYS 15 H CYS 15 5.084 3.615 0.485 99 HA CYS 15 HA CYS 15 5.255 5.782 2.289 100 HB2 CYS 15 2HB CYS 15 3.284 4.734 0.296 101 HB3 CYS 15 1HB CYS 15 2.772 6.059 1.343 102 H CYS 16 H CYS 16 3.246 2.864 2.406 103 HA CYS 16 HA CYS 16 1.574 3.685 4.606 104 HB2 CYS 16 2HB CYS 16 2.410 1.020 3.422 105 HB3 CYS 16 1HB CYS 16 1.152 1.191 4.645 106 HN1 NH2 17 1H CYS 16 4.095 4.435 5.525 107 HN2 NH2 17 2H CYS 16 4.644 3.371 6.727 Start of MODEL 5 1 H1 CYS 1 H CYS 1 1.888 9.058 -2.423 2 HA CYS 1 HA CYS 1 2.147 6.935 -4.288 3 HB2 CYS 1 2HB CYS 1 2.541 7.463 -1.422 4 HB3 CYS 1 1HB CYS 1 2.217 5.764 -1.784 5 H CYS 2 H CYS 2 1.180 4.642 -3.693 6 HA CYS 2 HA CYS 2 -1.577 4.597 -4.271 7 HB2 CYS 2 2HB CYS 2 -1.344 2.208 -3.403 8 HB3 CYS 2 1HB CYS 2 -0.160 2.689 -4.622 9 H ASN 3 H ASN 3 -3.119 3.311 -2.628 10 HA ASN 3 HA ASN 3 -3.224 4.973 -0.150 11 HB2 ASN 3 2HB ASN 3 -5.064 4.325 -2.101 12 HB3 ASN 3 1HB ASN 3 -5.457 3.171 -0.821 13 HD21 ASN 3 1HD2 ASN 3 -4.831 4.722 1.471 14 HD22 ASN 3 2HD2 ASN 3 -5.888 6.048 1.546 15 H CYS 4 H CYS 4 -2.989 4.056 1.834 16 HA CYS 4 HA CYS 4 -1.913 1.424 2.164 17 HB2 CYS 4 2HB CYS 4 -3.213 3.440 4.014 18 HB3 CYS 4 1HB CYS 4 -2.375 1.997 4.596 19 H SER 5 H SER 5 -5.146 2.511 1.743 20 HA SER 5 HA SER 5 -6.562 0.547 3.296 21 HB2 SER 5 2HB SER 5 -7.583 2.585 2.417 22 HB3 SER 5 1HB SER 5 -7.233 2.084 0.765 23 HG SER 5 HG SER 5 -9.427 1.659 1.730 24 H SER 6 H SER 6 -4.625 0.251 0.504 25 HA SER 6 HA SER 6 -5.991 -2.286 -0.316 26 HB2 SER 6 2HB SER 6 -4.798 -0.034 -1.669 27 HB3 SER 6 1HB SER 6 -3.972 -1.517 -2.147 28 HG SER 6 HG SER 6 -5.802 -1.139 -3.443 29 H LYS 7 H LYS 7 -5.009 -4.090 0.485 30 HA LYS 7 HA LYS 7 -2.596 -4.275 1.888 31 HB2 LYS 7 2HB LYS 7 -4.488 -6.027 0.504 32 HB3 LYS 7 1HB LYS 7 -2.851 -6.685 0.500 33 HG2 LYS 7 2HG LYS 7 -3.172 -7.347 2.626 34 HG3 LYS 7 1HG LYS 7 -3.258 -5.649 3.093 35 HD2 LYS 7 2HD LYS 7 -5.760 -6.227 1.950 36 HD3 LYS 7 1HD LYS 7 -5.385 -7.613 2.974 37 HE2 LYS 7 2HE LYS 7 -5.111 -4.749 3.938 38 HE3 LYS 7 1HE LYS 7 -6.578 -5.718 4.178 39 HZ1 LYS 7 3HZ LYS 7 -4.854 -5.862 6.002 40 HZ2 LYS 7 1HZ LYS 7 -3.881 -6.709 4.900 41 HZ3 LYS 7 2HZ LYS 7 -5.388 -7.343 5.362 42 H TRP 8 H TRP 8 -3.126 -4.433 -1.622 43 HA TRP 8 HA TRP 8 -0.550 -5.270 -2.452 44 HB2 TRP 8 2HB TRP 8 -2.344 -5.120 -4.023 45 HB3 TRP 8 1HB TRP 8 -2.659 -3.432 -3.610 46 HD1 TRP 8 HD TRP 8 -0.227 -5.651 -5.544 47 HE1 TRP 8 1HE TRP 8 1.167 -4.171 -7.130 48 HE3 TRP 8 3HE TRP 8 -1.743 -1.032 -3.990 49 HZ2 TRP 8 2HZ TRP 8 1.584 -1.390 -7.665 50 HZ3 TRP 8 3HZ TRP 8 -0.833 1.013 -5.052 51 HH2 TRP 8 HH TRP 8 0.827 0.841 -6.885 52 H CYS 9 H CYS 9 -1.766 -1.900 -2.201 53 HA CYS 9 HA CYS 9 0.576 -0.475 -2.681 54 HB2 CYS 9 2HB CYS 9 -1.576 0.565 -2.261 55 HB3 CYS 9 1HB CYS 9 -1.616 -0.073 -0.621 56 H ARG 10 H ARG 10 -0.526 -1.611 0.526 57 HA ARG 10 HA ARG 10 1.808 -0.912 1.985 58 HB2 ARG 10 2HB ARG 10 -0.353 -3.009 2.269 59 HB3 ARG 10 1HB ARG 10 0.866 -2.746 3.511 60 HG2 ARG 10 2HG ARG 10 0.044 -0.669 4.085 61 HG3 ARG 10 1HG ARG 10 -0.577 -0.353 2.466 62 HD2 ARG 10 2HD ARG 10 -2.366 -0.778 4.232 63 HD3 ARG 10 1HD ARG 10 -2.453 -1.859 2.827 64 HE ARG 10 HE ARG 10 -0.703 -3.032 4.744 65 HH11 ARG 10 1HH2 ARG 10 -4.022 -2.205 4.265 66 HH12 ARG 10 2HH2 ARG 10 -4.620 -3.482 5.269 67 HH21 ARG 10 1HH1 ARG 10 -1.472 -4.701 6.057 68 HH22 ARG 10 2HH1 ARG 10 -3.179 -4.896 6.281 69 H ASP 11 H ASP 11 1.073 -3.715 -0.028 70 HA ASP 11 HA ASP 11 3.607 -5.037 0.807 71 HB2 ASP 11 2HB ASP 11 0.970 -5.821 -0.046 72 HB3 ASP 11 1HB ASP 11 2.166 -6.528 -1.134 73 H HIS 12 H HIS 12 2.837 -2.702 -1.344 74 HA HIS 12 HA HIS 12 4.825 -3.707 -3.352 75 HB2 HIS 12 2HB HIS 12 2.053 -2.611 -3.655 76 HB3 HIS 12 1HB HIS 12 3.237 -2.247 -4.914 77 HD1 HIS 12 1HD HIS 12 3.578 -4.020 -6.641 78 HD2 HIS 12 2HD HIS 12 1.861 -5.565 -3.170 79 HE1 HIS 12 1HE HIS 12 3.053 -6.449 -7.122 80 H SER 13 H SER 13 4.538 -1.573 -0.981 81 HA SER 13 HA SER 13 6.436 0.306 -2.104 82 HB2 SER 13 2HB SER 13 4.759 2.255 -1.915 83 HB3 SER 13 1HB SER 13 4.566 1.176 -3.297 84 HG SER 13 HG SER 13 3.236 0.695 -0.854 85 H ARG 14 H ARG 14 7.081 1.923 -0.488 86 HA ARG 14 HA ARG 14 6.443 1.041 2.292 87 HB2 ARG 14 2HB ARG 14 8.555 2.328 2.770 88 HB3 ARG 14 1HB ARG 14 8.782 1.015 1.614 89 HG2 ARG 14 2HG ARG 14 9.380 2.447 -0.024 90 HG3 ARG 14 1HG ARG 14 7.984 3.480 0.284 91 HD2 ARG 14 2HD ARG 14 9.290 4.987 1.354 92 HD3 ARG 14 1HD ARG 14 9.899 3.730 2.448 93 HE ARG 14 HE ARG 14 11.251 4.682 0.056 94 HH11 ARG 14 1HH2 ARG 14 10.633 1.970 2.102 95 HH12 ARG 14 2HH2 ARG 14 12.111 1.165 1.698 96 HH21 ARG 14 1HH1 ARG 14 13.184 3.641 -0.476 97 HH22 ARG 14 2HH1 ARG 14 13.554 2.109 0.242 98 H CYS 15 H CYS 15 5.393 3.331 0.130 99 HA CYS 15 HA CYS 15 5.446 5.809 1.494 100 HB2 CYS 15 2HB CYS 15 3.239 4.587 -0.195 101 HB3 CYS 15 1HB CYS 15 3.511 6.310 0.066 102 H CYS 16 H CYS 16 3.777 2.895 2.306 103 HA CYS 16 HA CYS 16 1.708 4.232 3.926 104 HB2 CYS 16 2HB CYS 16 2.486 1.472 3.078 105 HB3 CYS 16 1HB CYS 16 1.487 1.636 4.524 106 HN1 NH2 17 1H CYS 16 4.979 3.679 4.403 107 HN2 NH2 17 2H CYS 16 4.992 3.497 6.091 Start of MODEL 6 1 H1 CYS 1 H CYS 1 2.618 6.866 -5.816 2 HA CYS 1 HA CYS 1 3.026 5.714 -3.378 3 HB2 CYS 1 2HB CYS 1 3.288 8.027 -2.513 4 HB3 CYS 1 1HB CYS 1 1.622 8.380 -2.984 5 H CYS 2 H CYS 2 1.028 4.774 -2.384 6 HA CYS 2 HA CYS 2 -1.381 5.021 -4.151 7 HB2 CYS 2 2HB CYS 2 -1.561 2.497 -3.796 8 HB3 CYS 2 1HB CYS 2 -0.208 3.024 -4.801 9 H ASN 3 H ASN 3 -3.250 3.681 -2.921 10 HA ASN 3 HA ASN 3 -3.526 4.969 -0.287 11 HB2 ASN 3 2HB ASN 3 -5.832 4.110 -0.497 12 HB3 ASN 3 1HB ASN 3 -5.331 4.908 -1.992 13 HD21 ASN 3 1HD2 ASN 3 -7.127 2.378 -1.180 14 HD22 ASN 3 2HD2 ASN 3 -6.676 1.245 -2.362 15 H CYS 4 H CYS 4 -2.730 3.933 1.495 16 HA CYS 4 HA CYS 4 -1.790 1.281 1.655 17 HB2 CYS 4 2HB CYS 4 -2.720 3.405 3.545 18 HB3 CYS 4 1HB CYS 4 -2.436 1.789 4.200 19 H SER 5 H SER 5 -5.068 2.521 1.932 20 HA SER 5 HA SER 5 -6.477 0.606 3.328 21 HB2 SER 5 2HB SER 5 -7.119 1.798 0.612 22 HB3 SER 5 1HB SER 5 -8.302 1.081 1.703 23 HG SER 5 HG SER 5 -7.840 2.679 3.199 24 H SER 6 H SER 6 -5.046 0.218 0.103 25 HA SER 6 HA SER 6 -6.165 -2.506 -0.176 26 HB2 SER 6 2HB SER 6 -5.085 -0.393 -1.835 27 HB3 SER 6 1HB SER 6 -4.294 -1.925 -2.203 28 HG SER 6 HG SER 6 -6.640 -1.143 -3.010 29 H LYS 7 H LYS 7 -5.085 -4.196 0.735 30 HA LYS 7 HA LYS 7 -2.684 -4.250 2.093 31 HB2 LYS 7 2HB LYS 7 -4.092 -6.255 0.327 32 HB3 LYS 7 1HB LYS 7 -2.617 -6.695 1.186 33 HG2 LYS 7 2HG LYS 7 -4.124 -5.421 3.135 34 HG3 LYS 7 1HG LYS 7 -5.329 -6.328 2.222 35 HD2 LYS 7 2HD LYS 7 -2.922 -7.903 2.671 36 HD3 LYS 7 1HD LYS 7 -3.634 -7.358 4.190 37 HE2 LYS 7 2HE LYS 7 -5.228 -8.704 1.980 38 HE3 LYS 7 1HE LYS 7 -4.578 -9.555 3.395 39 HZ1 LYS 7 3HZ LYS 7 -6.617 -8.902 4.183 40 HZ2 LYS 7 1HZ LYS 7 -6.645 -7.470 3.274 41 HZ3 LYS 7 2HZ LYS 7 -5.668 -7.576 4.660 42 H TRP 8 H TRP 8 -3.113 -4.587 -1.432 43 HA TRP 8 HA TRP 8 -0.479 -5.188 -2.214 44 HB2 TRP 8 2HB TRP 8 -2.244 -5.158 -3.821 45 HB3 TRP 8 1HB TRP 8 -2.691 -3.500 -3.406 46 HD1 TRP 8 HD TRP 8 0.022 -5.510 -5.222 47 HE1 TRP 8 1HE TRP 8 1.288 -3.926 -6.815 48 HE3 TRP 8 3HE TRP 8 -2.076 -1.051 -3.881 49 HZ2 TRP 8 2HZ TRP 8 1.394 -1.134 -7.439 50 HZ3 TRP 8 3HZ TRP 8 -1.375 1.051 -4.989 51 HH2 TRP 8 HH TRP 8 0.356 1.016 -6.763 52 H CYS 9 H CYS 9 -1.922 -1.901 -1.989 53 HA CYS 9 HA CYS 9 0.312 -0.315 -2.445 54 HB2 CYS 9 2HB CYS 9 -2.050 0.377 -1.901 55 HB3 CYS 9 1HB CYS 9 -1.710 0.036 -0.206 56 H ARG 10 H ARG 10 -0.622 -1.833 0.643 57 HA ARG 10 HA ARG 10 1.580 -0.913 2.204 58 HB2 ARG 10 2HB ARG 10 -0.158 -3.397 2.325 59 HB3 ARG 10 1HB ARG 10 0.868 -2.839 3.639 60 HG2 ARG 10 2HG ARG 10 -0.571 -1.188 4.227 61 HG3 ARG 10 1HG ARG 10 -0.890 -0.752 2.547 62 HD2 ARG 10 2HD ARG 10 -2.627 -2.302 2.333 63 HD3 ARG 10 1HD ARG 10 -1.995 -3.335 3.631 64 HE ARG 10 HE ARG 10 -3.764 -1.092 4.015 65 HH11 ARG 10 1HH2 ARG 10 -0.991 -2.712 5.285 66 HH12 ARG 10 2HH2 ARG 10 -1.279 -2.201 6.913 67 HH21 ARG 10 1HH1 ARG 10 -4.150 -0.423 6.135 68 HH22 ARG 10 2HH1 ARG 10 -3.068 -0.912 7.396 69 H ASP 11 H ASP 11 1.192 -3.739 0.076 70 HA ASP 11 HA ASP 11 3.946 -4.656 0.763 71 HB2 ASP 11 2HB ASP 11 1.685 -6.032 0.577 72 HB3 ASP 11 1HB ASP 11 2.087 -6.038 -1.142 73 H HIS 12 H HIS 12 2.610 -2.523 -1.388 74 HA HIS 12 HA HIS 12 4.742 -3.096 -3.415 75 HB2 HIS 12 2HB HIS 12 1.785 -2.756 -3.687 76 HB3 HIS 12 1HB HIS 12 2.802 -2.073 -4.961 77 HD1 HIS 12 1HD HIS 12 3.754 -3.681 -6.653 78 HD2 HIS 12 2HD HIS 12 2.242 -5.647 -3.301 79 HE1 HIS 12 1HE HIS 12 3.848 -6.158 -7.172 80 H SER 13 H SER 13 4.838 -1.206 -1.213 81 HA SER 13 HA SER 13 5.543 1.201 -2.677 82 HB2 SER 13 2HB SER 13 3.670 2.475 -2.329 83 HB3 SER 13 1HB SER 13 2.871 0.909 -2.192 84 HG SER 13 HG SER 13 2.998 2.759 -0.373 85 H ARG 14 H ARG 14 5.829 3.057 -0.875 86 HA ARG 14 HA ARG 14 6.968 1.766 1.582 87 HB2 ARG 14 2HB ARG 14 8.751 3.529 1.393 88 HB3 ARG 14 1HB ARG 14 8.737 2.409 0.032 89 HG2 ARG 14 2HG ARG 14 6.937 4.514 -0.608 90 HG3 ARG 14 1HG ARG 14 8.417 5.261 -0.004 91 HD2 ARG 14 2HD ARG 14 8.302 3.142 -2.183 92 HD3 ARG 14 1HD ARG 14 8.583 4.874 -2.445 93 HE ARG 14 HE ARG 14 10.516 2.986 -1.332 94 HH11 ARG 14 1HH2 ARG 14 9.406 6.252 -1.487 95 HH12 ARG 14 2HH2 ARG 14 10.935 6.929 -1.040 96 HH21 ARG 14 1HH1 ARG 14 12.516 3.859 -0.742 97 HH22 ARG 14 2HH1 ARG 14 12.692 5.578 -0.616 98 H CYS 15 H CYS 15 4.466 3.525 0.626 99 HA CYS 15 HA CYS 15 4.633 5.896 2.315 100 HB2 CYS 15 2HB CYS 15 2.542 4.426 0.721 101 HB3 CYS 15 1HB CYS 15 2.067 5.750 1.783 102 H CYS 16 H CYS 16 3.547 2.576 2.703 103 HA CYS 16 HA CYS 16 2.219 3.163 5.285 104 HB2 CYS 16 2HB CYS 16 2.122 1.186 3.198 105 HB3 CYS 16 1HB CYS 16 2.449 0.376 4.735 106 HN1 NH2 17 1H CYS 16 4.819 3.862 5.716 107 HN2 NH2 17 2H CYS 16 5.671 2.657 6.554 Start of MODEL 7 1 H1 CYS 1 H CYS 1 1.417 9.017 -2.807 2 HA CYS 1 HA CYS 1 2.741 6.337 -3.042 3 HB2 CYS 1 2HB CYS 1 3.241 7.328 -0.947 4 HB3 CYS 1 1HB CYS 1 1.603 7.961 -0.760 5 H CYS 2 H CYS 2 1.402 4.496 -3.075 6 HA CYS 2 HA CYS 2 -1.219 4.757 -4.205 7 HB2 CYS 2 2HB CYS 2 -1.245 2.264 -3.747 8 HB3 CYS 2 1HB CYS 2 0.177 2.831 -4.628 9 H ASN 3 H ASN 3 -3.167 3.667 -3.157 10 HA ASN 3 HA ASN 3 -3.781 4.960 -0.638 11 HB2 ASN 3 2HB ASN 3 -5.930 3.737 -0.954 12 HB3 ASN 3 1HB ASN 3 -5.416 4.561 -2.430 13 HD21 ASN 3 1HD2 ASN 3 -6.860 1.785 -1.627 14 HD22 ASN 3 2HD2 ASN 3 -6.161 0.714 -2.743 15 H CYS 4 H CYS 4 -3.555 4.127 1.412 16 HA CYS 4 HA CYS 4 -2.242 1.546 1.796 17 HB2 CYS 4 2HB CYS 4 -3.236 3.828 3.485 18 HB3 CYS 4 1HB CYS 4 -2.744 2.319 4.261 19 H SER 5 H SER 5 -5.354 2.161 1.015 20 HA SER 5 HA SER 5 -6.765 0.592 3.039 21 HB2 SER 5 2HB SER 5 -7.367 1.863 0.378 22 HB3 SER 5 1HB SER 5 -8.538 0.770 1.110 23 HG SER 5 HG SER 5 -9.100 2.548 2.113 24 H SER 6 H SER 6 -4.969 -0.109 0.158 25 HA SER 6 HA SER 6 -6.186 -2.834 -0.026 26 HB2 SER 6 2HB SER 6 -5.591 -0.887 -1.905 27 HB3 SER 6 1HB SER 6 -4.231 -2.003 -2.048 28 HG SER 6 HG SER 6 -5.539 -3.504 -2.778 29 H LYS 7 H LYS 7 -5.006 -4.506 0.811 30 HA LYS 7 HA LYS 7 -2.543 -4.295 2.139 31 HB2 LYS 7 2HB LYS 7 -3.855 -6.242 2.450 32 HB3 LYS 7 1HB LYS 7 -4.004 -6.523 0.716 33 HG2 LYS 7 2HG LYS 7 -1.239 -6.517 1.802 34 HG3 LYS 7 1HG LYS 7 -2.258 -7.878 2.277 35 HD2 LYS 7 2HD LYS 7 -2.562 -8.592 0.061 36 HD3 LYS 7 1HD LYS 7 -2.123 -7.018 -0.605 37 HE2 LYS 7 2HE LYS 7 0.197 -7.352 -0.148 38 HE3 LYS 7 1HE LYS 7 -0.139 -8.735 0.913 39 HZ1 LYS 7 3HZ LYS 7 -1.058 -9.931 -0.955 40 HZ2 LYS 7 1HZ LYS 7 0.525 -9.448 -1.324 41 HZ3 LYS 7 2HZ LYS 7 -0.794 -8.605 -1.984 42 H TRP 8 H TRP 8 -3.209 -4.572 -1.291 43 HA TRP 8 HA TRP 8 -0.637 -5.411 -2.215 44 HB2 TRP 8 2HB TRP 8 -2.496 -5.434 -3.711 45 HB3 TRP 8 1HB TRP 8 -2.908 -3.755 -3.346 46 HD1 TRP 8 HD TRP 8 -0.324 -5.868 -5.231 47 HE1 TRP 8 1HE TRP 8 0.840 -4.380 -6.984 48 HE3 TRP 8 3HE TRP 8 -2.318 -1.328 -4.003 49 HZ2 TRP 8 2HZ TRP 8 0.919 -1.631 -7.763 50 HZ3 TRP 8 3HZ TRP 8 -1.678 0.707 -5.265 51 HH2 TRP 8 HH TRP 8 -0.064 0.560 -7.143 52 H CYS 9 H CYS 9 -2.031 -2.112 -2.013 53 HA CYS 9 HA CYS 9 0.247 -0.605 -2.670 54 HB2 CYS 9 2HB CYS 9 -1.920 0.395 -2.353 55 HB3 CYS 9 1HB CYS 9 -2.010 -0.183 -0.693 56 H ARG 10 H ARG 10 -0.823 -1.450 0.641 57 HA ARG 10 HA ARG 10 1.378 -0.522 2.093 58 HB2 ARG 10 2HB ARG 10 -0.426 -2.935 2.396 59 HB3 ARG 10 1HB ARG 10 0.680 -2.406 3.659 60 HG2 ARG 10 2HG ARG 10 -0.585 -0.586 4.194 61 HG3 ARG 10 1HG ARG 10 -1.029 -0.281 2.514 62 HD2 ARG 10 2HD ARG 10 -2.934 -1.060 4.067 63 HD3 ARG 10 1HD ARG 10 -2.731 -1.984 2.565 64 HE ARG 10 HE ARG 10 -1.935 -3.814 3.846 65 HH11 ARG 10 1HH2 ARG 10 -1.983 -0.871 5.656 66 HH12 ARG 10 2HH2 ARG 10 -1.600 -1.640 7.158 67 HH21 ARG 10 1HH1 ARG 10 -1.438 -4.825 5.803 68 HH22 ARG 10 2HH1 ARG 10 -1.295 -3.873 7.244 69 H ASP 11 H ASP 11 1.070 -3.503 0.194 70 HA ASP 11 HA ASP 11 3.799 -4.352 1.047 71 HB2 ASP 11 2HB ASP 11 1.450 -5.694 0.746 72 HB3 ASP 11 1HB ASP 11 2.178 -5.966 -0.839 73 H HIS 12 H HIS 12 2.414 -2.500 -1.391 74 HA HIS 12 HA HIS 12 4.530 -3.313 -3.361 75 HB2 HIS 12 2HB HIS 12 1.689 -2.380 -3.556 76 HB3 HIS 12 1HB HIS 12 2.792 -1.979 -4.873 77 HD1 HIS 12 1HD HIS 12 3.099 -3.750 -6.596 78 HD2 HIS 12 2HD HIS 12 1.744 -5.345 -2.991 79 HE1 HIS 12 1HE HIS 12 2.711 -6.219 -7.006 80 H SER 13 H SER 13 4.717 -1.337 -1.062 81 HA SER 13 HA SER 13 6.029 0.801 -2.551 82 HB2 SER 13 2HB SER 13 4.462 2.567 -1.668 83 HB3 SER 13 1HB SER 13 3.716 1.479 -2.839 84 HG SER 13 HG SER 13 3.495 1.477 -0.012 85 H ARG 14 H ARG 14 7.082 2.341 -1.064 86 HA ARG 14 HA ARG 14 7.487 1.160 1.658 87 HB2 ARG 14 2HB ARG 14 9.671 2.264 1.530 88 HB3 ARG 14 1HB ARG 14 9.415 1.317 0.065 89 HG2 ARG 14 2HG ARG 14 9.458 3.156 -1.244 90 HG3 ARG 14 1HG ARG 14 8.358 4.030 -0.177 91 HD2 ARG 14 2HD ARG 14 10.776 3.842 1.262 92 HD3 ARG 14 1HD ARG 14 11.239 4.279 -0.394 93 HE ARG 14 HE ARG 14 8.929 5.792 0.431 94 HH11 ARG 14 1HH2 ARG 14 12.350 5.482 0.817 95 HH12 ARG 14 2HH2 ARG 14 12.587 7.155 1.197 96 HH21 ARG 14 1HH1 ARG 14 9.232 7.974 0.926 97 HH22 ARG 14 2HH1 ARG 14 10.828 8.562 1.258 98 H CYS 15 H CYS 15 5.442 3.233 0.499 99 HA CYS 15 HA CYS 15 6.080 5.584 2.198 100 HB2 CYS 15 2HB CYS 15 4.143 6.537 0.950 101 HB3 CYS 15 1HB CYS 15 5.384 5.909 -0.131 102 H CYS 16 H CYS 16 3.641 3.010 1.842 103 HA CYS 16 HA CYS 16 1.817 3.970 3.838 104 HB2 CYS 16 2HB CYS 16 1.633 2.128 1.998 105 HB3 CYS 16 1HB CYS 16 2.335 1.062 3.220 106 HN1 NH2 17 1H CYS 16 3.416 4.623 5.595 107 HN2 NH2 17 2H CYS 16 3.998 3.433 6.657 Start of MODEL 8 1 H1 CYS 1 H CYS 1 2.338 8.914 -2.199 2 HA CYS 1 HA CYS 1 2.237 6.906 -3.843 3 HB2 CYS 1 2HB CYS 1 2.311 6.763 -0.840 4 HB3 CYS 1 1HB CYS 1 2.414 5.269 -1.778 5 H CYS 2 H CYS 2 1.131 4.652 -3.811 6 HA CYS 2 HA CYS 2 -1.572 4.774 -4.421 7 HB2 CYS 2 2HB CYS 2 -1.498 2.290 -3.805 8 HB3 CYS 2 1HB CYS 2 -0.248 2.838 -4.927 9 H ASN 3 H ASN 3 -3.400 3.746 -3.147 10 HA ASN 3 HA ASN 3 -3.635 5.058 -0.539 11 HB2 ASN 3 2HB ASN 3 -5.300 4.047 -2.629 12 HB3 ASN 3 1HB ASN 3 -5.778 3.248 -1.129 13 HD21 ASN 3 1HD2 ASN 3 -6.977 4.476 0.373 14 HD22 ASN 3 2HD2 ASN 3 -7.280 6.139 0.212 15 H CYS 4 H CYS 4 -3.139 4.093 1.386 16 HA CYS 4 HA CYS 4 -2.068 1.449 1.604 17 HB2 CYS 4 2HB CYS 4 -3.147 3.541 3.492 18 HB3 CYS 4 1HB CYS 4 -2.588 1.981 4.107 19 H SER 5 H SER 5 -5.309 2.548 1.368 20 HA SER 5 HA SER 5 -6.828 0.837 2.963 21 HB2 SER 5 2HB SER 5 -8.499 1.050 1.107 22 HB3 SER 5 1HB SER 5 -7.737 2.583 1.521 23 HG SER 5 HG SER 5 -7.066 0.838 -0.618 24 H SER 6 H SER 6 -4.979 0.037 0.065 25 HA SER 6 HA SER 6 -6.033 -2.758 0.160 26 HB2 SER 6 2HB SER 6 -5.746 -0.991 -1.899 27 HB3 SER 6 1HB SER 6 -4.218 -1.868 -2.001 28 HG SER 6 HG SER 6 -5.343 -3.768 -2.211 29 H LYS 7 H LYS 7 -4.717 -4.328 0.974 30 HA LYS 7 HA LYS 7 -2.212 -3.885 2.194 31 HB2 LYS 7 2HB LYS 7 -3.597 -6.291 0.996 32 HB3 LYS 7 1HB LYS 7 -2.039 -6.443 1.809 33 HG2 LYS 7 2HG LYS 7 -2.956 -6.167 3.864 34 HG3 LYS 7 1HG LYS 7 -3.997 -4.853 3.316 35 HD2 LYS 7 2HD LYS 7 -5.613 -6.394 2.426 36 HD3 LYS 7 1HD LYS 7 -4.526 -7.762 2.668 37 HE2 LYS 7 2HE LYS 7 -5.486 -6.039 4.971 38 HE3 LYS 7 1HE LYS 7 -6.340 -7.505 4.448 39 HZ1 LYS 7 3HZ LYS 7 -4.848 -8.421 5.893 40 HZ2 LYS 7 1HZ LYS 7 -3.668 -7.234 5.623 41 HZ3 LYS 7 2HZ LYS 7 -3.913 -8.464 4.475 42 H TRP 8 H TRP 8 -3.034 -4.402 -1.163 43 HA TRP 8 HA TRP 8 -0.518 -5.243 -2.205 44 HB2 TRP 8 2HB TRP 8 -2.480 -5.307 -3.567 45 HB3 TRP 8 1HB TRP 8 -2.848 -3.610 -3.246 46 HD1 TRP 8 HD TRP 8 -0.741 -5.865 -5.432 47 HE1 TRP 8 1HE TRP 8 0.440 -4.447 -7.233 48 HE3 TRP 8 3HE TRP 8 -1.838 -1.174 -3.727 49 HZ2 TRP 8 2HZ TRP 8 0.864 -1.690 -7.864 50 HZ3 TRP 8 3HZ TRP 8 -1.031 0.825 -4.946 51 HH2 TRP 8 HH TRP 8 0.317 0.574 -7.012 52 H CYS 9 H CYS 9 -1.893 -1.967 -1.821 53 HA CYS 9 HA CYS 9 0.307 -0.455 -2.766 54 HB2 CYS 9 2HB CYS 9 -1.868 0.500 -2.271 55 HB3 CYS 9 1HB CYS 9 -1.741 0.027 -0.580 56 H ARG 10 H ARG 10 -0.471 -1.336 0.605 57 HA ARG 10 HA ARG 10 1.874 -0.338 1.832 58 HB2 ARG 10 2HB ARG 10 -0.003 -2.635 2.447 59 HB3 ARG 10 1HB ARG 10 1.201 -2.042 3.586 60 HG2 ARG 10 2HG ARG 10 0.063 -0.098 3.999 61 HG3 ARG 10 1HG ARG 10 -0.547 0.014 2.348 62 HD2 ARG 10 2HD ARG 10 -2.386 -0.465 3.947 63 HD3 ARG 10 1HD ARG 10 -2.152 -1.829 2.835 64 HE ARG 10 HE ARG 10 -0.452 -2.140 5.132 65 HH11 ARG 10 1HH2 ARG 10 -3.733 -2.314 4.072 66 HH12 ARG 10 2HH2 ARG 10 -4.189 -3.486 5.260 67 HH21 ARG 10 1HH1 ARG 10 -1.037 -3.669 6.685 68 HH22 ARG 10 2HH1 ARG 10 -2.666 -4.253 6.736 69 H ASP 11 H ASP 11 1.302 -3.388 0.122 70 HA ASP 11 HA ASP 11 3.919 -4.486 0.958 71 HB2 ASP 11 2HB ASP 11 1.475 -5.374 -0.518 72 HB3 ASP 11 1HB ASP 11 2.982 -6.233 -0.840 73 H HIS 12 H HIS 12 2.325 -3.640 -2.143 74 HA HIS 12 HA HIS 12 4.699 -3.945 -3.742 75 HB2 HIS 12 2HB HIS 12 1.959 -2.772 -3.987 76 HB3 HIS 12 1HB HIS 12 3.149 -2.326 -5.211 77 HD1 HIS 12 1HD HIS 12 2.859 -3.811 -7.183 78 HD2 HIS 12 2HD HIS 12 2.346 -5.905 -3.616 79 HE1 HIS 12 1HE HIS 12 2.459 -6.229 -7.824 80 H SER 13 H SER 13 3.893 -1.603 -1.438 81 HA SER 13 HA SER 13 5.965 0.244 -2.544 82 HB2 SER 13 2HB SER 13 3.627 1.492 -1.233 83 HB3 SER 13 1HB SER 13 4.481 1.972 -2.700 84 HG SER 13 HG SER 13 2.940 1.035 -3.759 85 H ARG 14 H ARG 14 6.500 1.939 -0.744 86 HA ARG 14 HA ARG 14 6.310 0.674 1.964 87 HB2 ARG 14 2HB ARG 14 8.719 1.475 2.205 88 HB3 ARG 14 1HB ARG 14 8.462 0.121 1.104 89 HG2 ARG 14 2HG ARG 14 8.356 1.761 -0.792 90 HG3 ARG 14 1HG ARG 14 8.799 3.035 0.349 91 HD2 ARG 14 2HD ARG 14 10.922 2.442 -0.371 92 HD3 ARG 14 1HD ARG 14 10.730 1.256 0.936 93 HE ARG 14 HE ARG 14 10.512 -0.433 -0.699 94 HH11 ARG 14 1HH2 ARG 14 9.983 2.713 -2.025 95 HH12 ARG 14 2HH2 ARG 14 9.836 2.141 -3.652 96 HH21 ARG 14 1HH1 ARG 14 10.320 -1.186 -2.817 97 HH22 ARG 14 2HH1 ARG 14 10.024 -0.062 -4.101 98 H CYS 15 H CYS 15 4.893 2.996 0.635 99 HA CYS 15 HA CYS 15 5.971 5.387 1.970 100 HB2 CYS 15 2HB CYS 15 3.406 4.837 0.439 101 HB3 CYS 15 1HB CYS 15 4.010 6.436 0.877 102 H CYS 16 H CYS 16 3.399 3.018 2.452 103 HA CYS 16 HA CYS 16 1.803 4.345 4.372 104 HB2 CYS 16 2HB CYS 16 1.901 1.905 3.154 105 HB3 CYS 16 1HB CYS 16 2.380 1.469 4.797 106 HN1 NH2 17 1H CYS 16 2.977 5.498 6.021 107 HN2 NH2 17 2H CYS 16 3.998 4.734 7.141 Start of MODEL 9 1 H1 CYS 1 H CYS 1 2.662 8.410 -2.302 2 HA CYS 1 HA CYS 1 2.556 6.430 -4.050 3 HB2 CYS 1 2HB CYS 1 2.895 4.838 -2.250 4 HB3 CYS 1 1HB CYS 1 3.575 6.385 -1.734 5 H CYS 2 H CYS 2 1.252 4.191 -3.795 6 HA CYS 2 HA CYS 2 -1.376 4.573 -4.754 7 HB2 CYS 2 2HB CYS 2 -1.589 2.114 -4.071 8 HB3 CYS 2 1HB CYS 2 -0.203 2.509 -5.093 9 H ASN 3 H ASN 3 -3.081 2.977 -3.219 10 HA ASN 3 HA ASN 3 -3.607 4.784 -0.914 11 HB2 ASN 3 2HB ASN 3 -5.858 4.038 -1.149 12 HB3 ASN 3 1HB ASN 3 -5.252 4.185 -2.802 13 HD21 ASN 3 1HD2 ASN 3 -7.282 2.258 -1.335 14 HD22 ASN 3 2HD2 ASN 3 -6.820 0.730 -1.909 15 H CYS 4 H CYS 4 -3.054 4.094 1.105 16 HA CYS 4 HA CYS 4 -1.932 1.543 1.705 17 HB2 CYS 4 2HB CYS 4 -3.036 3.901 3.183 18 HB3 CYS 4 1HB CYS 4 -2.723 2.427 4.106 19 H SER 5 H SER 5 -5.259 2.673 1.644 20 HA SER 5 HA SER 5 -6.629 0.884 3.271 21 HB2 SER 5 2HB SER 5 -7.681 1.273 0.520 22 HB3 SER 5 1HB SER 5 -8.440 1.627 2.070 23 HG SER 5 HG SER 5 -7.142 3.274 0.416 24 H SER 6 H SER 6 -5.148 0.236 0.115 25 HA SER 6 HA SER 6 -6.161 -2.557 0.143 26 HB2 SER 6 2HB SER 6 -5.442 -0.581 -1.785 27 HB3 SER 6 1HB SER 6 -4.363 -1.958 -2.008 28 HG SER 6 HG SER 6 -6.001 -3.128 -2.644 29 H LYS 7 H LYS 7 -4.928 -4.078 1.150 30 HA LYS 7 HA LYS 7 -2.434 -3.796 2.344 31 HB2 LYS 7 2HB LYS 7 -4.090 -5.994 1.235 32 HB3 LYS 7 1HB LYS 7 -2.392 -6.395 1.502 33 HG2 LYS 7 2HG LYS 7 -3.666 -6.895 3.523 34 HG3 LYS 7 1HG LYS 7 -2.595 -5.528 3.833 35 HD2 LYS 7 2HD LYS 7 -4.599 -4.045 3.166 36 HD3 LYS 7 1HD LYS 7 -5.576 -5.500 3.369 37 HE2 LYS 7 2HE LYS 7 -3.739 -5.104 5.612 38 HE3 LYS 7 1HE LYS 7 -4.866 -3.747 5.413 39 HZ1 LYS 7 3HZ LYS 7 -6.704 -5.185 5.436 40 HZ2 LYS 7 1HZ LYS 7 -5.727 -5.722 6.715 41 HZ3 LYS 7 2HZ LYS 7 -5.742 -6.572 5.243 42 H TRP 8 H TRP 8 -3.075 -4.815 -1.032 43 HA TRP 8 HA TRP 8 -0.493 -5.385 -1.924 44 HB2 TRP 8 2HB TRP 8 -2.367 -5.611 -3.395 45 HB3 TRP 8 1HB TRP 8 -2.820 -3.915 -3.191 46 HD1 TRP 8 HD TRP 8 -0.316 -6.167 -4.978 47 HE1 TRP 8 1HE TRP 8 0.882 -4.799 -6.805 48 HE3 TRP 8 3HE TRP 8 -2.094 -1.503 -3.897 49 HZ2 TRP 8 2HZ TRP 8 1.063 -2.085 -7.690 50 HZ3 TRP 8 3HZ TRP 8 -1.394 0.453 -5.247 51 HH2 TRP 8 HH TRP 8 0.181 0.168 -7.141 52 H CYS 9 H CYS 9 -2.040 -2.151 -1.922 53 HA CYS 9 HA CYS 9 0.045 -0.530 -2.778 54 HB2 CYS 9 2HB CYS 9 -2.219 0.206 -2.105 55 HB3 CYS 9 1HB CYS 9 -1.831 -0.131 -0.420 56 H ARG 10 H ARG 10 -0.515 -1.628 0.572 57 HA ARG 10 HA ARG 10 1.859 -0.539 1.716 58 HB2 ARG 10 2HB ARG 10 -0.017 -2.821 2.344 59 HB3 ARG 10 1HB ARG 10 1.302 -2.384 3.424 60 HG2 ARG 10 2HG ARG 10 0.403 -0.024 3.433 61 HG3 ARG 10 1HG ARG 10 -1.004 -0.629 2.555 62 HD2 ARG 10 2HD ARG 10 -1.014 -2.423 4.541 63 HD3 ARG 10 1HD ARG 10 -0.206 -1.094 5.393 64 HE ARG 10 HE ARG 10 -2.540 -0.232 3.862 65 HH11 ARG 10 1HH2 ARG 10 -1.334 -1.526 6.830 66 HH12 ARG 10 2HH2 ARG 10 -2.658 -0.932 7.775 67 HH21 ARG 10 1HH1 ARG 10 -4.268 0.551 5.090 68 HH22 ARG 10 2HH1 ARG 10 -4.315 0.242 6.794 69 H ASP 11 H ASP 11 1.266 -3.481 -0.123 70 HA ASP 11 HA ASP 11 3.875 -4.660 0.613 71 HB2 ASP 11 2HB ASP 11 1.330 -5.452 -0.572 72 HB3 ASP 11 1HB ASP 11 2.700 -6.110 -1.466 73 H HIS 12 H HIS 12 2.387 -2.952 -2.108 74 HA HIS 12 HA HIS 12 4.826 -3.381 -3.762 75 HB2 HIS 12 2HB HIS 12 1.980 -2.568 -4.164 76 HB3 HIS 12 1HB HIS 12 3.168 -1.965 -5.324 77 HD1 HIS 12 1HD HIS 12 4.013 -3.591 -7.059 78 HD2 HIS 12 2HD HIS 12 1.943 -5.509 -3.990 79 HE1 HIS 12 1HE HIS 12 3.768 -6.011 -7.764 80 H SER 13 H SER 13 4.190 -1.365 -1.337 81 HA SER 13 HA SER 13 5.703 0.872 -2.592 82 HB2 SER 13 2HB SER 13 3.119 1.123 -1.021 83 HB3 SER 13 1HB SER 13 4.074 2.468 -1.639 84 HG SER 13 HG SER 13 2.922 0.390 -3.200 85 H ARG 14 H ARG 14 6.096 2.559 -0.630 86 HA ARG 14 HA ARG 14 6.673 1.030 1.872 87 HB2 ARG 14 2HB ARG 14 8.949 1.943 1.847 88 HB3 ARG 14 1HB ARG 14 8.642 1.039 0.365 89 HG2 ARG 14 2HG ARG 14 8.019 3.224 -0.737 90 HG3 ARG 14 1HG ARG 14 8.594 4.044 0.716 91 HD2 ARG 14 2HD ARG 14 10.666 3.985 -0.204 92 HD3 ARG 14 1HD ARG 14 10.635 2.229 0.054 93 HE ARG 14 HE ARG 14 9.145 2.584 -2.258 94 HH11 ARG 14 1HH2 ARG 14 12.297 3.482 -1.163 95 HH12 ARG 14 2HH2 ARG 14 12.999 3.438 -2.745 96 HH21 ARG 14 1HH1 ARG 14 10.051 2.527 -4.324 97 HH22 ARG 14 2HH1 ARG 14 11.730 2.898 -4.532 98 H CYS 15 H CYS 15 4.846 3.365 0.831 99 HA CYS 15 HA CYS 15 5.742 5.623 2.496 100 HB2 CYS 15 2HB CYS 15 3.804 6.705 1.505 101 HB3 CYS 15 1HB CYS 15 4.631 5.796 0.242 102 H CYS 16 H CYS 16 3.556 2.897 2.730 103 HA CYS 16 HA CYS 16 1.947 3.953 4.915 104 HB2 CYS 16 2HB CYS 16 1.858 1.857 3.102 105 HB3 CYS 16 1HB CYS 16 2.180 1.038 4.634 106 HN1 NH2 17 1H CYS 16 2.173 1.485 6.591 107 HN2 NH2 17 2H CYS 16 3.616 1.640 7.471 Start of MODEL 10 1 H1 CYS 1 H CYS 1 1.448 8.982 -4.716 2 HA CYS 1 HA CYS 1 2.408 6.775 -4.756 3 HB2 CYS 1 2HB CYS 1 2.891 5.759 -2.493 4 HB3 CYS 1 1HB CYS 1 3.674 7.320 -2.759 5 H CYS 2 H CYS 2 1.551 4.586 -3.260 6 HA CYS 2 HA CYS 2 -1.166 4.238 -4.213 7 HB2 CYS 2 2HB CYS 2 -0.861 2.010 -3.157 8 HB3 CYS 2 1HB CYS 2 0.539 2.461 -4.135 9 H ASN 3 H ASN 3 -2.496 2.878 -2.231 10 HA ASN 3 HA ASN 3 -2.816 4.930 -0.065 11 HB2 ASN 3 2HB ASN 3 -5.219 4.296 -0.186 12 HB3 ASN 3 1HB ASN 3 -4.621 4.903 -1.733 13 HD21 ASN 3 1HD2 ASN 3 -6.773 2.767 -0.891 14 HD22 ASN 3 2HD2 ASN 3 -6.409 1.450 -1.899 15 H CYS 4 H CYS 4 -3.168 4.142 2.041 16 HA CYS 4 HA CYS 4 -2.058 1.565 2.720 17 HB2 CYS 4 2HB CYS 4 -3.516 3.806 4.106 18 HB3 CYS 4 1HB CYS 4 -3.155 2.317 4.986 19 H SER 5 H SER 5 -5.244 2.586 1.814 20 HA SER 5 HA SER 5 -6.780 0.596 3.232 21 HB2 SER 5 2HB SER 5 -7.129 2.747 1.360 22 HB3 SER 5 1HB SER 5 -8.022 1.343 0.783 23 HG SER 5 HG SER 5 -9.309 1.465 2.466 24 H SER 6 H SER 6 -4.588 0.304 0.638 25 HA SER 6 HA SER 6 -5.897 -2.240 -0.271 26 HB2 SER 6 2HB SER 6 -4.636 0.038 -1.591 27 HB3 SER 6 1HB SER 6 -3.939 -1.495 -2.115 28 HG SER 6 HG SER 6 -6.164 -2.197 -2.413 29 H LYS 7 H LYS 7 -4.858 -4.023 0.527 30 HA LYS 7 HA LYS 7 -2.455 -4.102 1.974 31 HB2 LYS 7 2HB LYS 7 -4.177 -5.981 0.449 32 HB3 LYS 7 1HB LYS 7 -2.547 -6.557 0.798 33 HG2 LYS 7 2HG LYS 7 -4.112 -5.269 3.003 34 HG3 LYS 7 1HG LYS 7 -4.502 -6.928 2.546 35 HD2 LYS 7 2HD LYS 7 -1.634 -6.588 2.710 36 HD3 LYS 7 1HD LYS 7 -2.396 -6.084 4.219 37 HE2 LYS 7 2HE LYS 7 -2.868 -8.232 4.777 38 HE3 LYS 7 1HE LYS 7 -3.583 -8.547 3.183 39 HZ1 LYS 7 3HZ LYS 7 -1.242 -8.536 2.311 40 HZ2 LYS 7 1HZ LYS 7 -1.639 -9.861 3.294 41 HZ3 LYS 7 2HZ LYS 7 -0.713 -8.584 3.925 42 H TRP 8 H TRP 8 -2.940 -4.390 -1.543 43 HA TRP 8 HA TRP 8 -0.325 -5.113 -2.336 44 HB2 TRP 8 2HB TRP 8 -2.165 -5.040 -3.892 45 HB3 TRP 8 1HB TRP 8 -2.453 -3.329 -3.556 46 HD1 TRP 8 HD TRP 8 -0.168 -5.673 -5.486 47 HE1 TRP 8 1HE TRP 8 1.289 -4.285 -7.098 48 HE3 TRP 8 3HE TRP 8 -1.346 -0.964 -3.904 49 HZ2 TRP 8 2HZ TRP 8 1.881 -1.538 -7.641 50 HZ3 TRP 8 3HZ TRP 8 -0.322 1.018 -4.983 51 HH2 TRP 8 HH TRP 8 1.286 0.737 -6.849 52 H CYS 9 H CYS 9 -1.698 -1.814 -2.021 53 HA CYS 9 HA CYS 9 0.534 -0.236 -2.538 54 HB2 CYS 9 2HB CYS 9 -1.585 0.742 -1.998 55 HB3 CYS 9 1HB CYS 9 -1.657 -0.090 -0.450 56 H ARG 10 H ARG 10 -0.382 -1.560 0.635 57 HA ARG 10 HA ARG 10 1.961 -0.807 2.061 58 HB2 ARG 10 2HB ARG 10 -0.120 -2.985 2.318 59 HB3 ARG 10 1HB ARG 10 1.107 -2.714 3.549 60 HG2 ARG 10 2HG ARG 10 0.085 -0.168 2.985 61 HG3 ARG 10 1HG ARG 10 -1.323 -1.225 3.042 62 HD2 ARG 10 2HD ARG 10 0.759 -0.800 5.200 63 HD3 ARG 10 1HD ARG 10 -0.994 -0.547 5.308 64 HE ARG 10 HE ARG 10 -0.883 -3.179 4.624 65 HH11 ARG 10 1HH2 ARG 10 0.809 -1.286 6.971 66 HH12 ARG 10 2HH2 ARG 10 1.050 -2.615 8.052 67 HH21 ARG 10 1HH1 ARG 10 -0.575 -4.912 6.034 68 HH22 ARG 10 2HH1 ARG 10 0.266 -4.660 7.528 69 H ASP 11 H ASP 11 1.373 -3.432 -0.172 70 HA ASP 11 HA ASP 11 3.820 -4.876 0.712 71 HB2 ASP 11 2HB ASP 11 1.430 -5.413 -1.025 72 HB3 ASP 11 1HB ASP 11 2.874 -6.411 -1.212 73 H HIS 12 H HIS 12 2.457 -3.539 -2.329 74 HA HIS 12 HA HIS 12 5.007 -3.850 -3.735 75 HB2 HIS 12 2HB HIS 12 2.240 -2.838 -4.286 76 HB3 HIS 12 1HB HIS 12 3.537 -2.403 -5.405 77 HD1 HIS 12 1HD HIS 12 3.917 -4.065 -7.214 78 HD2 HIS 12 2HD HIS 12 2.279 -5.858 -3.826 79 HE1 HIS 12 1HE HIS 12 3.561 -6.503 -7.796 80 H SER 13 H SER 13 4.062 -1.660 -1.431 81 HA SER 13 HA SER 13 6.008 0.346 -2.437 82 HB2 SER 13 2HB SER 13 3.741 1.766 -1.443 83 HB3 SER 13 1HB SER 13 4.379 1.760 -3.087 84 HG SER 13 HG SER 13 3.126 -0.114 -3.470 85 H ARG 14 H ARG 14 6.125 2.177 -0.635 86 HA ARG 14 HA ARG 14 5.920 0.874 2.058 87 HB2 ARG 14 2HB ARG 14 8.108 2.181 2.467 88 HB3 ARG 14 1HB ARG 14 8.204 0.758 1.428 89 HG2 ARG 14 2HG ARG 14 7.987 2.221 -0.566 90 HG3 ARG 14 1HG ARG 14 7.970 3.633 0.493 91 HD2 ARG 14 2HD ARG 14 10.225 3.530 0.858 92 HD3 ARG 14 1HD ARG 14 10.219 1.757 0.946 93 HE ARG 14 HE ARG 14 9.612 2.694 -1.731 94 HH11 ARG 14 1HH2 ARG 14 12.126 2.118 0.569 95 HH12 ARG 14 2HH2 ARG 14 13.339 1.839 -0.635 96 HH21 ARG 14 1HH1 ARG 14 11.185 2.329 -3.307 97 HH22 ARG 14 2HH1 ARG 14 12.807 1.957 -2.828 98 H CYS 15 H CYS 15 4.664 3.262 0.245 99 HA CYS 15 HA CYS 15 4.979 5.673 1.724 100 HB2 CYS 15 2HB CYS 15 3.789 5.001 -0.552 101 HB3 CYS 15 1HB CYS 15 2.365 4.876 0.482 102 H CYS 16 H CYS 16 3.137 2.775 2.390 103 HA CYS 16 HA CYS 16 1.397 4.012 4.395 104 HB2 CYS 16 2HB CYS 16 1.098 1.904 2.855 105 HB3 CYS 16 1HB CYS 16 1.988 1.070 4.133 106 HN1 NH2 17 1H CYS 16 4.247 1.790 4.532 107 HN2 NH2 17 2H CYS 16 4.630 2.133 6.150 Start of MODEL 11 1 H1 CYS 1 H CYS 1 2.001 8.964 -2.689 2 HA CYS 1 HA CYS 1 2.497 6.539 -3.922 3 HB2 CYS 1 2HB CYS 1 1.919 7.454 -1.140 4 HB3 CYS 1 1HB CYS 1 1.971 5.710 -1.417 5 H CYS 2 H CYS 2 1.340 4.390 -3.534 6 HA CYS 2 HA CYS 2 -1.306 4.431 -4.608 7 HB2 CYS 2 2HB CYS 2 -1.207 1.990 -3.919 8 HB3 CYS 2 1HB CYS 2 0.177 2.539 -4.870 9 H ASN 3 H ASN 3 -3.114 3.155 -3.335 10 HA ASN 3 HA ASN 3 -3.734 4.722 -0.936 11 HB2 ASN 3 2HB ASN 3 -5.062 3.126 -2.955 12 HB3 ASN 3 1HB ASN 3 -5.611 2.646 -1.345 13 HD21 ASN 3 1HD2 ASN 3 -7.044 4.058 -0.266 14 HD22 ASN 3 2HD2 ASN 3 -7.478 5.595 -0.842 15 H CYS 4 H CYS 4 -2.660 4.079 0.918 16 HA CYS 4 HA CYS 4 -1.637 1.497 1.492 17 HB2 CYS 4 2HB CYS 4 -2.521 3.876 3.128 18 HB3 CYS 4 1HB CYS 4 -1.844 2.438 3.902 19 H SER 5 H SER 5 -4.895 2.610 1.468 20 HA SER 5 HA SER 5 -6.041 0.928 3.493 21 HB2 SER 5 2HB SER 5 -7.224 2.817 2.557 22 HB3 SER 5 1HB SER 5 -7.079 2.165 0.927 23 HG SER 5 HG SER 5 -8.502 1.009 3.101 24 H SER 6 H SER 6 -4.558 0.122 0.542 25 HA SER 6 HA SER 6 -6.073 -2.463 0.385 26 HB2 SER 6 2HB SER 6 -5.570 -0.496 -1.514 27 HB3 SER 6 1HB SER 6 -4.353 -1.723 -1.870 28 HG SER 6 HG SER 6 -7.022 -1.760 -2.296 29 H LYS 7 H LYS 7 -4.930 -4.237 1.012 30 HA LYS 7 HA LYS 7 -2.393 -4.351 2.106 31 HB2 LYS 7 2HB LYS 7 -3.963 -6.316 0.420 32 HB3 LYS 7 1HB LYS 7 -2.477 -6.775 1.252 33 HG2 LYS 7 2HG LYS 7 -3.734 -7.157 3.086 34 HG3 LYS 7 1HG LYS 7 -3.984 -5.414 3.185 35 HD2 LYS 7 2HD LYS 7 -5.821 -6.004 1.302 36 HD3 LYS 7 1HD LYS 7 -5.809 -7.536 2.177 37 HE2 LYS 7 2HE LYS 7 -6.814 -6.625 4.017 38 HE3 LYS 7 1HE LYS 7 -5.863 -5.131 3.907 39 HZ1 LYS 7 3HZ LYS 7 -8.424 -5.243 3.226 40 HZ2 LYS 7 1HZ LYS 7 -7.729 -5.653 1.734 41 HZ3 LYS 7 2HZ LYS 7 -7.321 -4.184 2.484 42 H TRP 8 H TRP 8 -3.223 -4.430 -1.344 43 HA TRP 8 HA TRP 8 -0.706 -5.149 -2.435 44 HB2 TRP 8 2HB TRP 8 -2.751 -5.007 -3.744 45 HB3 TRP 8 1HB TRP 8 -2.904 -3.283 -3.387 46 HD1 TRP 8 HD TRP 8 -0.671 -5.743 -5.320 47 HE1 TRP 8 1HE TRP 8 0.548 -4.447 -7.184 48 HE3 TRP 8 3HE TRP 8 -2.135 -0.983 -4.187 49 HZ2 TRP 8 2HZ TRP 8 0.864 -1.748 -8.076 50 HZ3 TRP 8 3HZ TRP 8 -1.360 0.929 -5.558 51 HH2 TRP 8 HH TRP 8 0.136 0.554 -7.499 52 H CYS 9 H CYS 9 -2.025 -1.872 -1.812 53 HA CYS 9 HA CYS 9 0.235 -0.356 -2.561 54 HB2 CYS 9 2HB CYS 9 -2.029 0.488 -1.961 55 HB3 CYS 9 1HB CYS 9 -1.719 0.077 -0.276 56 H ARG 10 H ARG 10 -0.609 -1.568 0.698 57 HA ARG 10 HA ARG 10 1.739 -0.727 2.045 58 HB2 ARG 10 2HB ARG 10 -0.186 -3.039 2.399 59 HB3 ARG 10 1HB ARG 10 1.028 -2.608 3.598 60 HG2 ARG 10 2HG ARG 10 -0.003 -0.587 4.122 61 HG3 ARG 10 1HG ARG 10 -0.806 -0.478 2.555 62 HD2 ARG 10 2HD ARG 10 -2.350 -1.058 4.496 63 HD3 ARG 10 1HD ARG 10 -2.370 -2.240 3.171 64 HE ARG 10 HE ARG 10 -1.302 -3.788 4.607 65 HH11 ARG 10 1HH2 ARG 10 -1.038 -0.546 5.772 66 HH12 ARG 10 2HH2 ARG 10 -0.315 -1.010 7.275 67 HH21 ARG 10 1HH1 ARG 10 -0.356 -4.401 6.564 68 HH22 ARG 10 2HH1 ARG 10 0.072 -3.187 7.722 69 H ASP 11 H ASP 11 1.152 -3.502 -0.052 70 HA ASP 11 HA ASP 11 3.775 -4.707 0.680 71 HB2 ASP 11 2HB ASP 11 1.210 -5.616 -0.130 72 HB3 ASP 11 1HB ASP 11 2.329 -6.043 -1.425 73 H HIS 12 H HIS 12 2.322 -2.746 -1.793 74 HA HIS 12 HA HIS 12 4.615 -3.295 -3.637 75 HB2 HIS 12 2HB HIS 12 1.765 -2.396 -3.909 76 HB3 HIS 12 1HB HIS 12 2.924 -1.924 -5.157 77 HD1 HIS 12 1HD HIS 12 2.827 -3.540 -7.042 78 HD2 HIS 12 2HD HIS 12 2.325 -5.456 -3.373 79 HE1 HIS 12 1HE HIS 12 2.619 -6.013 -7.547 80 H SER 13 H SER 13 4.631 -1.488 -1.198 81 HA SER 13 HA SER 13 6.011 0.761 -2.421 82 HB2 SER 13 2HB SER 13 4.405 2.473 -1.889 83 HB3 SER 13 1HB SER 13 3.524 1.214 -2.748 84 HG SER 13 HG SER 13 3.446 1.970 -0.068 85 H ARG 14 H ARG 14 6.508 2.441 -0.616 86 HA ARG 14 HA ARG 14 6.802 1.021 2.011 87 HB2 ARG 14 2HB ARG 14 8.661 2.851 0.462 88 HB3 ARG 14 1HB ARG 14 8.947 2.381 2.138 89 HG2 ARG 14 2HG ARG 14 9.755 0.376 1.509 90 HG3 ARG 14 1HG ARG 14 8.327 0.056 0.523 91 HD2 ARG 14 2HD ARG 14 10.147 2.068 -0.642 92 HD3 ARG 14 1HD ARG 14 10.843 0.440 -0.512 93 HE ARG 14 HE ARG 14 8.256 0.016 -1.452 94 HH11 ARG 14 1HH2 ARG 14 11.023 1.849 -2.410 95 HH12 ARG 14 2HH2 ARG 14 10.659 1.756 -4.100 96 HH21 ARG 14 1HH1 ARG 14 7.773 -0.111 -3.653 97 HH22 ARG 14 2HH1 ARG 14 8.822 0.647 -4.804 98 H CYS 15 H CYS 15 4.990 3.273 0.627 99 HA CYS 15 HA CYS 15 5.437 5.616 2.302 100 HB2 CYS 15 2HB CYS 15 3.650 4.663 0.172 101 HB3 CYS 15 1HB CYS 15 2.851 5.730 1.327 102 H CYS 16 H CYS 16 3.179 2.853 2.384 103 HA CYS 16 HA CYS 16 1.541 3.704 4.535 104 HB2 CYS 16 2HB CYS 16 2.491 0.918 3.791 105 HB3 CYS 16 1HB CYS 16 1.006 1.321 4.655 106 HN1 NH2 17 1H CYS 16 1.651 2.432 6.788 107 HN2 NH2 17 2H CYS 16 3.176 2.391 7.534 Start of MODEL 12 1 H1 CYS 1 H CYS 1 1.978 7.745 -5.787 2 HA CYS 1 HA CYS 1 3.088 5.856 -3.817 3 HB2 CYS 1 2HB CYS 1 3.483 7.951 -2.689 4 HB3 CYS 1 1HB CYS 1 1.869 8.538 -3.098 5 H CYS 2 H CYS 2 1.291 4.780 -2.602 6 HA CYS 2 HA CYS 2 -1.318 4.974 -4.076 7 HB2 CYS 2 2HB CYS 2 -1.431 2.483 -3.503 8 HB3 CYS 2 1HB CYS 2 -0.193 2.941 -4.676 9 H ASN 3 H ASN 3 -2.980 3.569 -2.539 10 HA ASN 3 HA ASN 3 -2.982 5.049 0.047 11 HB2 ASN 3 2HB ASN 3 -5.369 4.462 0.022 12 HB3 ASN 3 1HB ASN 3 -4.906 5.155 -1.536 13 HD21 ASN 3 1HD2 ASN 3 -5.727 2.109 0.105 14 HD22 ASN 3 2HD2 ASN 3 -5.994 1.219 -1.315 15 H CYS 4 H CYS 4 -3.086 3.964 2.026 16 HA CYS 4 HA CYS 4 -1.918 1.325 2.182 17 HB2 CYS 4 2HB CYS 4 -3.179 3.305 4.078 18 HB3 CYS 4 1HB CYS 4 -2.592 1.740 4.655 19 H SER 5 H SER 5 -5.212 2.527 2.107 20 HA SER 5 HA SER 5 -6.693 0.540 3.381 21 HB2 SER 5 2HB SER 5 -7.426 1.561 0.643 22 HB3 SER 5 1HB SER 5 -8.468 1.314 2.041 23 HG SER 5 HG SER 5 -8.101 3.334 2.453 24 H SER 6 H SER 6 -4.873 0.284 0.382 25 HA SER 6 HA SER 6 -6.026 -2.408 -0.166 26 HB2 SER 6 2HB SER 6 -4.826 -0.201 -1.658 27 HB3 SER 6 1HB SER 6 -4.127 -1.759 -2.104 28 HG SER 6 HG SER 6 -6.172 -2.510 -2.576 29 H LYS 7 H LYS 7 -4.929 -4.162 0.623 30 HA LYS 7 HA LYS 7 -2.497 -4.115 2.042 31 HB2 LYS 7 2HB LYS 7 -4.082 -5.976 2.055 32 HB3 LYS 7 1HB LYS 7 -3.784 -6.281 0.344 33 HG2 LYS 7 2HG LYS 7 -1.240 -6.291 1.520 34 HG3 LYS 7 1HG LYS 7 -2.263 -7.173 2.654 35 HD2 LYS 7 2HD LYS 7 -3.156 -8.414 0.559 36 HD3 LYS 7 1HD LYS 7 -1.723 -7.778 -0.250 37 HE2 LYS 7 2HE LYS 7 -0.371 -8.759 1.712 38 HE3 LYS 7 1HE LYS 7 -1.845 -9.665 2.112 39 HZ1 LYS 7 3HZ LYS 7 -0.571 -9.611 -0.572 40 HZ2 LYS 7 1HZ LYS 7 -1.922 -10.530 -0.116 41 HZ3 LYS 7 2HZ LYS 7 -0.397 -10.875 0.549 42 H TRP 8 H TRP 8 -3.078 -4.425 -1.445 43 HA TRP 8 HA TRP 8 -0.498 -5.199 -2.317 44 HB2 TRP 8 2HB TRP 8 -2.324 -5.103 -3.857 45 HB3 TRP 8 1HB TRP 8 -2.673 -3.420 -3.450 46 HD1 TRP 8 HD TRP 8 -0.180 -5.591 -5.373 47 HE1 TRP 8 1HE TRP 8 1.127 -4.093 -7.015 48 HE3 TRP 8 3HE TRP 8 -1.881 -0.999 -3.925 49 HZ2 TRP 8 2HZ TRP 8 1.413 -1.315 -7.633 50 HZ3 TRP 8 3HZ TRP 8 -1.075 1.055 -5.055 51 HH2 TRP 8 HH TRP 8 0.568 0.902 -6.906 52 H CYS 9 H CYS 9 -1.800 -1.867 -2.008 53 HA CYS 9 HA CYS 9 0.458 -0.347 -2.572 54 HB2 CYS 9 2HB CYS 9 -1.793 0.491 -1.960 55 HB3 CYS 9 1HB CYS 9 -1.526 -0.013 -0.295 56 H ARG 10 H ARG 10 -0.403 -1.763 0.585 57 HA ARG 10 HA ARG 10 1.931 -0.953 2.009 58 HB2 ARG 10 2HB ARG 10 -0.034 -3.246 2.262 59 HB3 ARG 10 1HB ARG 10 1.161 -2.864 3.496 60 HG2 ARG 10 2HG ARG 10 0.157 -0.820 4.033 61 HG3 ARG 10 1HG ARG 10 -0.670 -0.711 2.478 62 HD2 ARG 10 2HD ARG 10 -2.264 -1.293 4.294 63 HD3 ARG 10 1HD ARG 10 -2.119 -2.631 3.138 64 HE ARG 10 HE ARG 10 -1.005 -3.891 4.804 65 HH11 ARG 10 1HH2 ARG 10 -1.151 -0.531 5.594 66 HH12 ARG 10 2HH2 ARG 10 -0.503 -0.745 7.184 67 HH21 ARG 10 1HH1 ARG 10 -0.158 -4.180 6.877 68 HH22 ARG 10 2HH1 ARG 10 0.060 -2.806 7.908 69 H ASP 11 H ASP 11 1.281 -3.715 -0.099 70 HA ASP 11 HA ASP 11 3.928 -4.915 0.559 71 HB2 ASP 11 2HB ASP 11 1.359 -5.888 0.063 72 HB3 ASP 11 1HB ASP 11 2.247 -6.259 -1.415 73 H HIS 12 H HIS 12 2.725 -2.676 -1.623 74 HA HIS 12 HA HIS 12 4.788 -3.455 -3.659 75 HB2 HIS 12 2HB HIS 12 1.907 -2.690 -3.862 76 HB3 HIS 12 1HB HIS 12 2.988 -2.135 -5.146 77 HD1 HIS 12 1HD HIS 12 3.676 -3.830 -6.877 78 HD2 HIS 12 2HD HIS 12 1.950 -5.624 -3.533 79 HE1 HIS 12 1HE HIS 12 3.417 -6.287 -7.436 80 H SER 13 H SER 13 4.205 -1.289 -1.300 81 HA SER 13 HA SER 13 5.723 0.844 -2.712 82 HB2 SER 13 2HB SER 13 3.016 1.127 -1.378 83 HB3 SER 13 1HB SER 13 4.041 2.505 -1.782 84 HG SER 13 HG SER 13 2.979 0.549 -3.549 85 H ARG 14 H ARG 14 5.592 2.766 -0.700 86 HA ARG 14 HA ARG 14 6.461 1.375 1.799 87 HB2 ARG 14 2HB ARG 14 8.421 3.025 1.762 88 HB3 ARG 14 1HB ARG 14 8.481 1.735 0.560 89 HG2 ARG 14 2HG ARG 14 7.008 4.081 -0.387 90 HG3 ARG 14 1HG ARG 14 8.684 4.451 0.021 91 HD2 ARG 14 2HD ARG 14 9.209 2.250 -1.333 92 HD3 ARG 14 1HD ARG 14 7.623 2.562 -2.065 93 HE ARG 14 HE ARG 14 8.868 5.038 -2.103 94 HH11 ARG 14 1HH2 ARG 14 9.628 1.850 -3.195 95 HH12 ARG 14 2HH2 ARG 14 10.593 2.397 -4.525 96 HH21 ARG 14 1HH1 ARG 14 10.126 5.761 -3.833 97 HH22 ARG 14 2HH1 ARG 14 10.873 4.607 -4.887 98 H CYS 15 H CYS 15 4.329 3.454 0.556 99 HA CYS 15 HA CYS 15 4.607 5.852 2.126 100 HB2 CYS 15 2HB CYS 15 2.429 4.425 0.614 101 HB3 CYS 15 1HB CYS 15 2.034 5.850 1.575 102 H CYS 16 H CYS 16 2.720 2.849 2.627 103 HA CYS 16 HA CYS 16 1.418 3.555 5.031 104 HB2 CYS 16 2HB CYS 16 2.512 0.933 3.967 105 HB3 CYS 16 1HB CYS 16 1.373 1.055 5.307 106 HN1 NH2 17 1H CYS 16 3.953 1.065 5.243 107 HN2 NH2 17 2H CYS 16 4.782 1.761 6.552 Start of MODEL 13 1 H1 CYS 1 H CYS 1 1.150 8.903 -4.657 2 HA CYS 1 HA CYS 1 2.130 6.664 -5.001 3 HB2 CYS 1 2HB CYS 1 2.777 5.442 -2.917 4 HB3 CYS 1 1HB CYS 1 3.602 6.998 -3.072 5 H CYS 2 H CYS 2 1.194 4.417 -3.792 6 HA CYS 2 HA CYS 2 -1.640 4.464 -4.365 7 HB2 CYS 2 2HB CYS 2 -1.438 2.078 -3.592 8 HB3 CYS 2 1HB CYS 2 -0.224 2.525 -4.796 9 H ASN 3 H ASN 3 -3.238 3.570 -2.711 10 HA ASN 3 HA ASN 3 -2.987 5.115 -0.199 11 HB2 ASN 3 2HB ASN 3 -5.401 4.389 -0.002 12 HB3 ASN 3 1HB ASN 3 -5.037 5.270 -1.490 13 HD21 ASN 3 1HD2 ASN 3 -5.643 2.005 -0.180 14 HD22 ASN 3 2HD2 ASN 3 -6.002 1.293 -1.679 15 H CYS 4 H CYS 4 -2.966 4.150 1.861 16 HA CYS 4 HA CYS 4 -1.855 1.488 2.083 17 HB2 CYS 4 2HB CYS 4 -2.846 3.661 3.906 18 HB3 CYS 4 1HB CYS 4 -2.468 2.075 4.585 19 H SER 5 H SER 5 -5.033 2.567 1.617 20 HA SER 5 HA SER 5 -6.484 0.698 3.275 21 HB2 SER 5 2HB SER 5 -6.949 2.788 1.357 22 HB3 SER 5 1HB SER 5 -7.941 1.397 0.931 23 HG SER 5 HG SER 5 -8.714 1.391 3.075 24 H SER 6 H SER 6 -4.558 0.236 0.515 25 HA SER 6 HA SER 6 -6.056 -2.246 -0.247 26 HB2 SER 6 2HB SER 6 -4.689 -0.096 -1.663 27 HB3 SER 6 1HB SER 6 -4.090 -1.680 -2.159 28 HG SER 6 HG SER 6 -6.794 -0.803 -2.081 29 H LYS 7 H LYS 7 -5.119 -4.130 0.422 30 HA LYS 7 HA LYS 7 -2.742 -4.397 1.888 31 HB2 LYS 7 2HB LYS 7 -4.174 -6.232 1.927 32 HB3 LYS 7 1HB LYS 7 -4.488 -6.152 0.196 33 HG2 LYS 7 2HG LYS 7 -1.686 -6.750 0.934 34 HG3 LYS 7 1HG LYS 7 -2.855 -8.002 1.352 35 HD2 LYS 7 2HD LYS 7 -3.527 -7.082 -1.250 36 HD3 LYS 7 1HD LYS 7 -1.785 -7.354 -1.234 37 HE2 LYS 7 2HE LYS 7 -2.850 -9.548 0.162 38 HE3 LYS 7 1HE LYS 7 -3.925 -9.318 -1.231 39 HZ1 LYS 7 3HZ LYS 7 -1.803 -8.984 -2.553 40 HZ2 LYS 7 1HZ LYS 7 -2.144 -10.571 -2.060 41 HZ3 LYS 7 2HZ LYS 7 -0.983 -9.654 -1.224 42 H TRP 8 H TRP 8 -3.209 -4.526 -1.645 43 HA TRP 8 HA TRP 8 -0.605 -5.369 -2.404 44 HB2 TRP 8 2HB TRP 8 -2.375 -5.229 -4.017 45 HB3 TRP 8 1HB TRP 8 -2.664 -3.524 -3.645 46 HD1 TRP 8 HD TRP 8 -0.138 -5.833 -5.369 47 HE1 TRP 8 1HE TRP 8 1.309 -4.422 -6.970 48 HE3 TRP 8 3HE TRP 8 -1.797 -1.153 -4.171 49 HZ2 TRP 8 2HZ TRP 8 1.709 -1.674 -7.654 50 HZ3 TRP 8 3HZ TRP 8 -0.867 0.841 -5.310 51 HH2 TRP 8 HH TRP 8 0.882 0.586 -7.050 52 H CYS 9 H CYS 9 -1.853 -2.011 -2.179 53 HA CYS 9 HA CYS 9 0.481 -0.563 -2.624 54 HB2 CYS 9 2HB CYS 9 -1.757 0.381 -2.202 55 HB3 CYS 9 1HB CYS 9 -1.673 -0.143 -0.522 56 H ARG 10 H ARG 10 -0.643 -1.742 0.564 57 HA ARG 10 HA ARG 10 1.627 -1.007 2.080 58 HB2 ARG 10 2HB ARG 10 -0.407 -3.241 2.236 59 HB3 ARG 10 1HB ARG 10 0.772 -2.959 3.512 60 HG2 ARG 10 2HG ARG 10 -0.174 -0.942 4.143 61 HG3 ARG 10 1HG ARG 10 -0.827 -0.630 2.534 62 HD2 ARG 10 2HD ARG 10 -2.591 -1.224 4.251 63 HD3 ARG 10 1HD ARG 10 -2.559 -2.330 2.862 64 HE ARG 10 HE ARG 10 -0.751 -3.445 4.647 65 HH11 ARG 10 1HH2 ARG 10 -4.054 -2.437 4.736 66 HH12 ARG 10 2HH2 ARG 10 -4.513 -3.611 5.923 67 HH21 ARG 10 1HH1 ARG 10 -1.341 -4.979 6.196 68 HH22 ARG 10 2HH1 ARG 10 -2.982 -5.046 6.748 69 H ASP 11 H ASP 11 1.061 -3.800 -0.016 70 HA ASP 11 HA ASP 11 3.686 -4.971 0.769 71 HB2 ASP 11 2HB ASP 11 1.128 -5.959 0.150 72 HB3 ASP 11 1HB ASP 11 2.137 -6.407 -1.224 73 H HIS 12 H HIS 12 3.002 -2.564 -1.219 74 HA HIS 12 HA HIS 12 4.956 -3.487 -3.277 75 HB2 HIS 12 2HB HIS 12 2.085 -2.747 -3.611 76 HB3 HIS 12 1HB HIS 12 3.208 -2.210 -4.865 77 HD1 HIS 12 1HD HIS 12 4.348 -4.023 -6.314 78 HD2 HIS 12 2HD HIS 12 1.778 -5.584 -3.426 79 HE1 HIS 12 1HE HIS 12 4.039 -6.473 -6.879 80 H SER 13 H SER 13 4.620 -1.334 -0.984 81 HA SER 13 HA SER 13 6.101 0.747 -2.435 82 HB2 SER 13 2HB SER 13 4.041 2.202 -1.180 83 HB3 SER 13 1HB SER 13 4.269 1.969 -2.914 84 HG SER 13 HG SER 13 2.937 0.204 -2.834 85 H ARG 14 H ARG 14 6.238 2.745 -0.708 86 HA ARG 14 HA ARG 14 6.919 1.482 1.929 87 HB2 ARG 14 2HB ARG 14 8.800 3.025 1.973 88 HB3 ARG 14 1HB ARG 14 8.799 2.204 0.412 89 HG2 ARG 14 2HG ARG 14 8.738 4.214 -0.592 90 HG3 ARG 14 1HG ARG 14 7.137 4.467 0.104 91 HD2 ARG 14 2HD ARG 14 7.999 5.642 1.968 92 HD3 ARG 14 1HD ARG 14 9.638 5.014 1.713 93 HE ARG 14 HE ARG 14 9.959 6.649 0.028 94 HH11 ARG 14 1HH2 ARG 14 6.628 6.286 0.881 95 HH12 ARG 14 2HH2 ARG 14 6.109 7.648 -0.054 96 HH21 ARG 14 1HH1 ARG 14 9.289 8.424 -1.195 97 HH22 ARG 14 2HH1 ARG 14 7.612 8.856 -1.230 98 H CYS 15 H CYS 15 5.037 3.859 0.331 99 HA CYS 15 HA CYS 15 4.844 6.034 2.044 100 HB2 CYS 15 2HB CYS 15 3.100 4.537 0.204 101 HB3 CYS 15 1HB CYS 15 2.216 5.475 1.407 102 H CYS 16 H CYS 16 3.544 2.770 2.562 103 HA CYS 16 HA CYS 16 2.183 3.557 5.055 104 HB2 CYS 16 2HB CYS 16 1.995 1.535 3.109 105 HB3 CYS 16 1HB CYS 16 2.516 0.708 4.582 106 HN1 NH2 17 1H CYS 16 5.331 2.306 4.123 107 HN2 NH2 17 2H CYS 16 5.895 1.989 5.693 Start of MODEL 14 1 H1 CYS 1 H CYS 1 1.799 9.165 -4.674 2 HA CYS 1 HA CYS 1 2.136 6.648 -4.697 3 HB2 CYS 1 2HB CYS 1 2.847 8.129 -2.770 4 HB3 CYS 1 1HB CYS 1 1.318 7.723 -1.981 5 H CYS 2 H CYS 2 1.205 4.627 -3.622 6 HA CYS 2 HA CYS 2 -1.549 4.262 -4.379 7 HB2 CYS 2 2HB CYS 2 -1.173 2.034 -3.290 8 HB3 CYS 2 1HB CYS 2 0.115 2.474 -4.414 9 H ASN 3 H ASN 3 -2.912 2.999 -2.465 10 HA ASN 3 HA ASN 3 -3.059 4.969 -0.206 11 HB2 ASN 3 2HB ASN 3 -5.519 4.145 -0.242 12 HB3 ASN 3 1HB ASN 3 -4.989 5.186 -1.568 13 HD21 ASN 3 1HD2 ASN 3 -6.694 2.383 -0.998 14 HD22 ASN 3 2HD2 ASN 3 -6.435 1.593 -2.477 15 H CYS 4 H CYS 4 -2.867 4.128 1.838 16 HA CYS 4 HA CYS 4 -2.023 1.471 2.354 17 HB2 CYS 4 2HB CYS 4 -3.163 3.759 3.938 18 HB3 CYS 4 1HB CYS 4 -2.885 2.209 4.740 19 H SER 5 H SER 5 -5.181 2.663 1.672 20 HA SER 5 HA SER 5 -6.775 0.827 3.198 21 HB2 SER 5 2HB SER 5 -7.234 2.984 1.653 22 HB3 SER 5 1HB SER 5 -7.625 1.727 0.484 23 HG SER 5 HG SER 5 -9.453 2.269 1.695 24 H SER 6 H SER 6 -4.716 0.371 0.484 25 HA SER 6 HA SER 6 -6.023 -2.252 -0.159 26 HB2 SER 6 2HB SER 6 -5.254 -0.094 -1.750 27 HB3 SER 6 1HB SER 6 -3.958 -1.270 -1.979 28 HG SER 6 HG SER 6 -6.591 -1.339 -2.766 29 H LYS 7 H LYS 7 -4.947 -3.989 0.626 30 HA LYS 7 HA LYS 7 -2.524 -3.994 2.044 31 HB2 LYS 7 2HB LYS 7 -3.887 -6.094 0.333 32 HB3 LYS 7 1HB LYS 7 -2.573 -6.456 1.454 33 HG2 LYS 7 2HG LYS 7 -4.047 -5.231 3.216 34 HG3 LYS 7 1HG LYS 7 -5.359 -5.489 2.065 35 HD2 LYS 7 2HD LYS 7 -4.428 -7.966 2.045 36 HD3 LYS 7 1HD LYS 7 -3.782 -7.506 3.621 37 HE2 LYS 7 2HE LYS 7 -5.929 -8.369 4.143 38 HE3 LYS 7 1HE LYS 7 -6.209 -6.618 4.078 39 HZ1 LYS 7 3HZ LYS 7 -7.616 -8.318 2.623 40 HZ2 LYS 7 1HZ LYS 7 -6.322 -8.074 1.554 41 HZ3 LYS 7 2HZ LYS 7 -7.245 -6.749 2.084 42 H TRP 8 H TRP 8 -3.065 -4.460 -1.450 43 HA TRP 8 HA TRP 8 -0.482 -5.203 -2.279 44 HB2 TRP 8 2HB TRP 8 -2.322 -5.146 -3.817 45 HB3 TRP 8 1HB TRP 8 -2.626 -3.436 -3.489 46 HD1 TRP 8 HD TRP 8 -0.169 -5.757 -5.284 47 HE1 TRP 8 1HE TRP 8 1.186 -4.372 -6.985 48 HE3 TRP 8 3HE TRP 8 -1.790 -1.065 -4.090 49 HZ2 TRP 8 2HZ TRP 8 1.535 -1.636 -7.741 50 HZ3 TRP 8 3HZ TRP 8 -0.932 0.910 -5.315 51 HH2 TRP 8 HH TRP 8 0.726 0.632 -7.137 52 H CYS 9 H CYS 9 -1.790 -1.868 -2.048 53 HA CYS 9 HA CYS 9 0.468 -0.358 -2.651 54 HB2 CYS 9 2HB CYS 9 -1.638 0.663 -2.119 55 HB3 CYS 9 1HB CYS 9 -1.673 -0.079 -0.525 56 H ARG 10 H ARG 10 -0.419 -1.592 0.571 57 HA ARG 10 HA ARG 10 1.935 -0.827 1.957 58 HB2 ARG 10 2HB ARG 10 -0.098 -3.049 2.260 59 HB3 ARG 10 1HB ARG 10 1.131 -2.719 3.476 60 HG2 ARG 10 2HG ARG 10 0.094 -0.829 4.195 61 HG3 ARG 10 1HG ARG 10 -0.343 -0.338 2.559 62 HD2 ARG 10 2HD ARG 10 -2.425 -0.838 3.601 63 HD3 ARG 10 1HD ARG 10 -2.057 -2.298 2.662 64 HE ARG 10 HE ARG 10 -0.817 -2.624 5.175 65 HH11 ARG 10 1HH2 ARG 10 -3.976 -2.231 3.832 66 HH12 ARG 10 2HH2 ARG 10 -4.759 -3.142 5.079 67 HH21 ARG 10 1HH1 ARG 10 -1.833 -3.810 6.809 68 HH22 ARG 10 2HH1 ARG 10 -3.548 -4.037 6.759 69 H ASP 11 H ASP 11 1.233 -3.675 -0.037 70 HA ASP 11 HA ASP 11 3.868 -4.871 0.651 71 HB2 ASP 11 2HB ASP 11 1.284 -5.815 0.086 72 HB3 ASP 11 1HB ASP 11 2.246 -6.257 -1.325 73 H HIS 12 H HIS 12 2.936 -2.523 -1.407 74 HA HIS 12 HA HIS 12 4.912 -3.387 -3.489 75 HB2 HIS 12 2HB HIS 12 2.087 -2.375 -3.733 76 HB3 HIS 12 1HB HIS 12 3.240 -2.082 -5.040 77 HD1 HIS 12 1HD HIS 12 3.664 -3.986 -6.622 78 HD2 HIS 12 2HD HIS 12 1.808 -5.262 -3.116 79 HE1 HIS 12 1HE HIS 12 3.117 -6.437 -6.953 80 H SER 13 H SER 13 4.856 -1.452 -1.080 81 HA SER 13 HA SER 13 6.503 0.603 -2.171 82 HB2 SER 13 2HB SER 13 4.538 2.386 -1.725 83 HB3 SER 13 1HB SER 13 4.770 1.623 -3.299 84 HG SER 13 HG SER 13 3.035 0.432 -2.985 85 H ARG 14 H ARG 14 7.426 1.795 -0.473 86 HA ARG 14 HA ARG 14 6.887 0.898 2.245 87 HB2 ARG 14 2HB ARG 14 8.695 2.891 0.881 88 HB3 ARG 14 1HB ARG 14 8.637 2.788 2.640 89 HG2 ARG 14 2HG ARG 14 9.782 0.833 2.676 90 HG3 ARG 14 1HG ARG 14 8.855 0.169 1.330 91 HD2 ARG 14 2HD ARG 14 11.270 0.477 0.746 92 HD3 ARG 14 1HD ARG 14 10.216 1.487 -0.265 93 HE ARG 14 HE ARG 14 10.743 3.094 1.924 94 HH11 ARG 14 1HH2 ARG 14 12.641 1.299 -0.335 95 HH12 ARG 14 2HH2 ARG 14 13.985 2.388 -0.267 96 HH21 ARG 14 1HH1 ARG 14 12.494 4.519 2.021 97 HH22 ARG 14 2HH1 ARG 14 13.903 4.204 1.064 98 H CYS 15 H CYS 15 5.212 3.020 0.335 99 HA CYS 15 HA CYS 15 4.801 5.419 1.636 100 HB2 CYS 15 2HB CYS 15 3.470 3.777 -0.210 101 HB3 CYS 15 1HB CYS 15 2.268 4.115 1.036 102 H CYS 16 H CYS 16 2.818 2.525 2.417 103 HA CYS 16 HA CYS 16 1.695 3.569 4.812 104 HB2 CYS 16 2HB CYS 16 1.572 1.262 3.248 105 HB3 CYS 16 1HB CYS 16 2.162 0.681 4.809 106 HN1 NH2 17 1H CYS 16 2.288 1.778 6.890 107 HN2 NH2 17 2H CYS 16 3.901 1.967 7.385 Start of MODEL 15 1 H1 CYS 1 H CYS 1 2.678 8.876 -3.310 2 HA CYS 1 HA CYS 1 2.794 6.415 -4.398 3 HB2 CYS 1 2HB CYS 1 2.769 5.526 -2.029 4 HB3 CYS 1 1HB CYS 1 3.782 6.956 -2.249 5 H CYS 2 H CYS 2 1.451 4.431 -3.041 6 HA CYS 2 HA CYS 2 -1.247 4.597 -4.233 7 HB2 CYS 2 2HB CYS 2 -1.263 2.173 -3.589 8 HB3 CYS 2 1HB CYS 2 0.136 2.613 -4.571 9 H ASN 3 H ASN 3 -2.964 3.342 -2.717 10 HA ASN 3 HA ASN 3 -3.126 4.965 -0.231 11 HB2 ASN 3 2HB ASN 3 -5.497 4.157 -0.309 12 HB3 ASN 3 1HB ASN 3 -5.003 4.971 -1.797 13 HD21 ASN 3 1HD2 ASN 3 -7.010 2.667 -1.211 14 HD22 ASN 3 2HD2 ASN 3 -6.583 1.475 -2.340 15 H CYS 4 H CYS 4 -3.004 4.044 1.797 16 HA CYS 4 HA CYS 4 -1.936 1.397 2.144 17 HB2 CYS 4 2HB CYS 4 -3.092 3.563 3.895 18 HB3 CYS 4 1HB CYS 4 -2.616 2.011 4.594 19 H SER 5 H SER 5 -5.125 2.483 1.594 20 HA SER 5 HA SER 5 -6.608 0.589 3.185 21 HB2 SER 5 2HB SER 5 -7.248 2.053 0.606 22 HB3 SER 5 1HB SER 5 -8.437 1.268 1.642 23 HG SER 5 HG SER 5 -6.632 3.177 2.668 24 H SER 6 H SER 6 -4.571 0.109 0.525 25 HA SER 6 HA SER 6 -6.043 -2.379 -0.281 26 HB2 SER 6 2HB SER 6 -4.602 -0.227 -1.681 27 HB3 SER 6 1HB SER 6 -4.163 -1.846 -2.226 28 HG SER 6 HG SER 6 -6.566 -2.165 -2.243 29 H LYS 7 H LYS 7 -5.088 -4.175 0.601 30 HA LYS 7 HA LYS 7 -2.696 -4.406 1.988 31 HB2 LYS 7 2HB LYS 7 -4.253 -6.271 0.200 32 HB3 LYS 7 1HB LYS 7 -2.789 -6.830 1.008 33 HG2 LYS 7 2HG LYS 7 -4.536 -5.366 2.827 34 HG3 LYS 7 1HG LYS 7 -5.350 -6.761 2.115 35 HD2 LYS 7 2HD LYS 7 -2.624 -7.422 2.873 36 HD3 LYS 7 1HD LYS 7 -3.535 -6.803 4.251 37 HE2 LYS 7 2HE LYS 7 -4.511 -9.018 2.412 38 HE3 LYS 7 1HE LYS 7 -3.792 -9.273 4.015 39 HZ1 LYS 7 3HZ LYS 7 -5.980 -9.070 4.592 40 HZ2 LYS 7 1HZ LYS 7 -6.350 -8.029 3.305 41 HZ3 LYS 7 2HZ LYS 7 -5.522 -7.435 4.665 42 H TRP 8 H TRP 8 -3.145 -4.643 -1.544 43 HA TRP 8 HA TRP 8 -0.506 -5.373 -2.277 44 HB2 TRP 8 2HB TRP 8 -2.267 -5.359 -3.900 45 HB3 TRP 8 1HB TRP 8 -2.660 -3.669 -3.559 46 HD1 TRP 8 HD TRP 8 -0.169 -5.867 -5.411 47 HE1 TRP 8 1HE TRP 8 1.246 -4.394 -6.984 48 HE3 TRP 8 3HE TRP 8 -1.704 -1.234 -3.903 49 HZ2 TRP 8 2HZ TRP 8 1.672 -1.619 -7.529 50 HZ3 TRP 8 3HZ TRP 8 -0.777 0.804 -4.965 51 HH2 TRP 8 HH TRP 8 0.908 0.618 -6.774 52 H CYS 9 H CYS 9 -1.916 -2.083 -2.078 53 HA CYS 9 HA CYS 9 0.309 -0.500 -2.592 54 HB2 CYS 9 2HB CYS 9 -1.930 0.350 -2.115 55 HB3 CYS 9 1HB CYS 9 -1.837 -0.242 -0.459 56 H ARG 10 H ARG 10 -0.649 -1.751 0.612 57 HA ARG 10 HA ARG 10 1.643 -0.886 2.062 58 HB2 ARG 10 2HB ARG 10 -0.421 -3.063 2.303 59 HB3 ARG 10 1HB ARG 10 0.861 -2.925 3.499 60 HG2 ARG 10 2HG ARG 10 0.209 -0.657 4.044 61 HG3 ARG 10 1HG ARG 10 -0.962 -0.634 2.726 62 HD2 ARG 10 2HD ARG 10 -1.207 -2.792 4.800 63 HD3 ARG 10 1HD ARG 10 -1.775 -1.157 5.194 64 HE ARG 10 HE ARG 10 -2.715 -1.781 2.591 65 HH11 ARG 10 1HH2 ARG 10 -3.075 -2.790 5.874 66 HH12 ARG 10 2HH2 ARG 10 -4.705 -3.334 5.663 67 HH21 ARG 10 1HH1 ARG 10 -4.843 -2.488 2.306 68 HH22 ARG 10 2HH1 ARG 10 -5.704 -3.163 3.649 69 H ASP 11 H ASP 11 1.083 -3.708 0.020 70 HA ASP 11 HA ASP 11 3.699 -4.867 0.820 71 HB2 ASP 11 2HB ASP 11 1.192 -5.783 -0.539 72 HB3 ASP 11 1HB ASP 11 2.683 -6.674 -0.840 73 H HIS 12 H HIS 12 2.645 -2.645 -1.418 74 HA HIS 12 HA HIS 12 4.828 -3.418 -3.320 75 HB2 HIS 12 2HB HIS 12 1.920 -2.897 -3.755 76 HB3 HIS 12 1HB HIS 12 3.041 -2.316 -4.991 77 HD1 HIS 12 1HD HIS 12 4.287 -4.074 -6.399 78 HD2 HIS 12 2HD HIS 12 1.862 -5.753 -3.454 79 HE1 HIS 12 1HE HIS 12 4.179 -6.556 -6.890 80 H SER 13 H SER 13 4.764 -1.406 -1.121 81 HA SER 13 HA SER 13 5.791 0.865 -2.646 82 HB2 SER 13 2HB SER 13 4.083 2.447 -2.003 83 HB3 SER 13 1HB SER 13 3.262 1.061 -2.716 84 HG SER 13 HG SER 13 3.486 1.835 -0.020 85 H ARG 14 H ARG 14 5.983 2.798 -0.884 86 HA ARG 14 HA ARG 14 6.923 1.586 1.692 87 HB2 ARG 14 2HB ARG 14 8.863 3.095 1.516 88 HB3 ARG 14 1HB ARG 14 8.759 2.076 0.080 89 HG2 ARG 14 2HG ARG 14 7.241 4.599 -0.110 90 HG3 ARG 14 1HG ARG 14 8.990 4.805 0.016 91 HD2 ARG 14 2HD ARG 14 7.651 2.934 -1.969 92 HD3 ARG 14 1HD ARG 14 8.219 4.569 -2.363 93 HE ARG 14 HE ARG 14 9.922 2.250 -1.907 94 HH11 ARG 14 1HH2 ARG 14 9.598 5.677 -1.631 95 HH12 ARG 14 2HH2 ARG 14 11.303 5.971 -1.691 96 HH21 ARG 14 1HH1 ARG 14 12.146 2.624 -1.986 97 HH22 ARG 14 2HH1 ARG 14 12.743 4.247 -1.893 98 H CYS 15 H CYS 15 4.678 3.552 0.358 99 HA CYS 15 HA CYS 15 4.880 5.988 1.885 100 HB2 CYS 15 2HB CYS 15 3.406 5.055 -0.196 101 HB3 CYS 15 1HB CYS 15 2.221 4.918 1.103 102 H CYS 16 H CYS 16 3.275 2.868 2.496 103 HA CYS 16 HA CYS 16 1.985 3.775 4.952 104 HB2 CYS 16 2HB CYS 16 1.806 1.650 3.146 105 HB3 CYS 16 1HB CYS 16 2.392 0.900 4.634 106 HN1 NH2 17 1H CYS 16 3.515 4.427 6.558 107 HN2 NH2 17 2H CYS 16 4.749 3.419 7.143 Start of MODEL 16 1 H1 CYS 1 H CYS 1 3.001 8.119 -4.895 2 HA CYS 1 HA CYS 1 2.832 5.869 -4.190 3 HB2 CYS 1 2HB CYS 1 2.610 7.677 -1.974 4 HB3 CYS 1 1HB CYS 1 1.550 6.296 -1.670 5 H CYS 2 H CYS 2 0.801 4.728 -2.493 6 HA CYS 2 HA CYS 2 -1.669 5.169 -4.142 7 HB2 CYS 2 2HB CYS 2 -1.929 2.631 -3.829 8 HB3 CYS 2 1HB CYS 2 -0.634 3.157 -4.911 9 H ASN 3 H ASN 3 -3.466 3.642 -2.864 10 HA ASN 3 HA ASN 3 -3.768 4.972 -0.248 11 HB2 ASN 3 2HB ASN 3 -6.025 4.059 -0.406 12 HB3 ASN 3 1HB ASN 3 -5.576 4.725 -1.979 13 HD21 ASN 3 1HD2 ASN 3 -7.391 2.337 -1.088 14 HD22 ASN 3 2HD2 ASN 3 -6.868 1.065 -2.084 15 H CYS 4 H CYS 4 -3.054 4.041 1.587 16 HA CYS 4 HA CYS 4 -1.901 1.451 1.797 17 HB2 CYS 4 2HB CYS 4 -3.143 3.341 3.815 18 HB3 CYS 4 1HB CYS 4 -2.121 1.967 4.253 19 H SER 5 H SER 5 -5.224 2.469 1.875 20 HA SER 5 HA SER 5 -6.436 0.474 3.469 21 HB2 SER 5 2HB SER 5 -7.432 1.685 0.872 22 HB3 SER 5 1HB SER 5 -8.427 1.038 2.172 23 HG SER 5 HG SER 5 -6.932 3.403 2.040 24 H SER 6 H SER 6 -4.777 0.137 0.461 25 HA SER 6 HA SER 6 -6.074 -2.506 -0.068 26 HB2 SER 6 2HB SER 6 -4.798 -0.342 -1.633 27 HB3 SER 6 1HB SER 6 -4.431 -1.977 -2.184 28 HG SER 6 HG SER 6 -6.503 -2.301 -2.645 29 H LYS 7 H LYS 7 -4.971 -4.233 0.753 30 HA LYS 7 HA LYS 7 -2.529 -4.388 2.006 31 HB2 LYS 7 2HB LYS 7 -4.075 -6.238 1.829 32 HB3 LYS 7 1HB LYS 7 -3.877 -6.300 0.077 33 HG2 LYS 7 2HG LYS 7 -1.730 -7.215 0.220 34 HG3 LYS 7 1HG LYS 7 -1.488 -6.633 1.870 35 HD2 LYS 7 2HD LYS 7 -3.037 -8.245 2.750 36 HD3 LYS 7 1HD LYS 7 -3.556 -8.714 1.133 37 HE2 LYS 7 2HE LYS 7 -0.649 -8.953 1.513 38 HE3 LYS 7 1HE LYS 7 -1.596 -10.020 2.569 39 HZ1 LYS 7 3HZ LYS 7 -1.092 -10.703 0.101 40 HZ2 LYS 7 1HZ LYS 7 -2.430 -9.712 -0.224 41 HZ3 LYS 7 2HZ LYS 7 -2.596 -11.049 0.810 42 H TRP 8 H TRP 8 -3.048 -4.702 -1.515 43 HA TRP 8 HA TRP 8 -0.429 -5.194 -2.384 44 HB2 TRP 8 2HB TRP 8 -2.284 -5.213 -3.901 45 HB3 TRP 8 1HB TRP 8 -2.722 -3.552 -3.491 46 HD1 TRP 8 HD TRP 8 -0.265 -5.596 -5.551 47 HE1 TRP 8 1HE TRP 8 0.988 -4.027 -7.167 48 HE3 TRP 8 3HE TRP 8 -1.890 -1.073 -3.825 49 HZ2 TRP 8 2HZ TRP 8 1.264 -1.223 -7.662 50 HZ3 TRP 8 3HZ TRP 8 -1.116 1.030 -4.887 51 HH2 TRP 8 HH TRP 8 0.457 0.960 -6.801 52 H CYS 9 H CYS 9 -1.974 -1.975 -2.058 53 HA CYS 9 HA CYS 9 0.193 -0.305 -2.590 54 HB2 CYS 9 2HB CYS 9 -2.187 0.299 -2.055 55 HB3 CYS 9 1HB CYS 9 -1.844 -0.022 -0.356 56 H ARG 10 H ARG 10 -0.661 -1.785 0.536 57 HA ARG 10 HA ARG 10 1.525 -0.714 2.040 58 HB2 ARG 10 2HB ARG 10 -0.257 -3.150 2.291 59 HB3 ARG 10 1HB ARG 10 0.840 -2.623 3.562 60 HG2 ARG 10 2HG ARG 10 -0.424 -0.778 4.085 61 HG3 ARG 10 1HG ARG 10 -0.968 -0.554 2.422 62 HD2 ARG 10 2HD ARG 10 -2.738 -1.366 4.131 63 HD3 ARG 10 1HD ARG 10 -2.607 -2.293 2.624 64 HE ARG 10 HE ARG 10 -0.760 -3.323 4.576 65 HH11 ARG 10 1HH2 ARG 10 -4.106 -3.165 3.736 66 HH12 ARG 10 2HH2 ARG 10 -4.497 -4.676 4.484 67 HH21 ARG 10 1HH1 ARG 10 -1.258 -5.292 5.553 68 HH22 ARG 10 2HH1 ARG 10 -2.886 -5.882 5.509 69 H ASP 11 H ASP 11 1.243 -3.530 -0.074 70 HA ASP 11 HA ASP 11 3.903 -4.532 0.828 71 HB2 ASP 11 2HB ASP 11 1.961 -5.707 -1.177 72 HB3 ASP 11 1HB ASP 11 3.237 -6.550 -0.297 73 H HIS 12 H HIS 12 2.399 -2.834 -1.828 74 HA HIS 12 HA HIS 12 4.743 -3.330 -3.600 75 HB2 HIS 12 2HB HIS 12 1.955 -2.213 -3.902 76 HB3 HIS 12 1HB HIS 12 3.163 -1.984 -5.173 77 HD1 HIS 12 1HD HIS 12 3.286 -3.832 -6.836 78 HD2 HIS 12 2HD HIS 12 1.746 -5.154 -3.194 79 HE1 HIS 12 1HE HIS 12 2.674 -6.269 -7.160 80 H SER 13 H SER 13 4.217 -1.313 -1.128 81 HA SER 13 HA SER 13 5.850 0.847 -2.344 82 HB2 SER 13 2HB SER 13 3.424 1.544 -0.717 83 HB3 SER 13 1HB SER 13 4.256 2.501 -1.942 84 HG SER 13 HG SER 13 2.468 0.347 -2.244 85 H ARG 14 H ARG 14 6.664 2.345 -0.575 86 HA ARG 14 HA ARG 14 6.889 0.875 2.031 87 HB2 ARG 14 2HB ARG 14 9.173 1.670 2.114 88 HB3 ARG 14 1HB ARG 14 8.913 0.972 0.516 89 HG2 ARG 14 2HG ARG 14 9.757 2.940 -0.244 90 HG3 ARG 14 1HG ARG 14 8.146 3.570 0.103 91 HD2 ARG 14 2HD ARG 14 8.832 4.441 2.221 92 HD3 ARG 14 1HD ARG 14 10.349 3.519 2.187 93 HE ARG 14 HE ARG 14 10.220 5.141 -0.156 94 HH11 ARG 14 1HH2 ARG 14 10.554 5.346 3.276 95 HH12 ARG 14 2HH2 ARG 14 11.474 6.812 3.226 96 HH21 ARG 14 1HH1 ARG 14 11.424 7.047 -0.230 97 HH22 ARG 14 2HH1 ARG 14 11.972 7.771 1.245 98 H CYS 15 H CYS 15 5.346 3.418 0.722 99 HA CYS 15 HA CYS 15 6.008 5.440 2.782 100 HB2 CYS 15 2HB CYS 15 4.439 6.796 1.426 101 HB3 CYS 15 1HB CYS 15 5.666 6.044 0.409 102 H CYS 16 H CYS 16 3.805 2.849 2.306 103 HA CYS 16 HA CYS 16 1.589 3.956 3.867 104 HB2 CYS 16 2HB CYS 16 2.341 1.449 2.450 105 HB3 CYS 16 1HB CYS 16 1.174 1.278 3.766 106 HN1 NH2 17 1H CYS 16 3.118 0.818 4.606 107 HN2 NH2 17 2H CYS 16 3.402 1.142 6.248 Start of MODEL 17 1 H1 CYS 1 H CYS 1 0.580 8.696 -2.430 2 HA CYS 1 HA CYS 1 2.194 7.202 -4.387 3 HB2 CYS 1 2HB CYS 1 3.089 5.648 -2.741 4 HB3 CYS 1 1HB CYS 1 3.521 7.289 -2.250 5 H CYS 2 H CYS 2 1.475 4.620 -3.288 6 HA CYS 2 HA CYS 2 -1.178 4.318 -4.344 7 HB2 CYS 2 2HB CYS 2 -0.895 2.009 -3.404 8 HB3 CYS 2 1HB CYS 2 0.506 2.546 -4.339 9 H ASN 3 H ASN 3 -2.777 2.955 -2.757 10 HA ASN 3 HA ASN 3 -3.243 4.739 -0.398 11 HB2 ASN 3 2HB ASN 3 -5.566 4.198 -0.724 12 HB3 ASN 3 1HB ASN 3 -4.899 4.541 -2.323 13 HD21 ASN 3 1HD2 ASN 3 -7.026 2.492 -1.011 14 HD22 ASN 3 2HD2 ASN 3 -6.698 1.073 -1.883 15 H CYS 4 H CYS 4 -2.807 3.828 1.557 16 HA CYS 4 HA CYS 4 -1.965 1.184 2.032 17 HB2 CYS 4 2HB CYS 4 -3.304 3.300 3.730 18 HB3 CYS 4 1HB CYS 4 -2.678 1.799 4.421 19 H SER 5 H SER 5 -5.237 2.510 1.880 20 HA SER 5 HA SER 5 -6.810 0.617 3.157 21 HB2 SER 5 2HB SER 5 -7.071 2.624 1.188 22 HB3 SER 5 1HB SER 5 -7.843 1.194 0.509 23 HG SER 5 HG SER 5 -9.408 2.053 1.729 24 H SER 6 H SER 6 -4.961 0.199 0.186 25 HA SER 6 HA SER 6 -6.138 -2.512 -0.222 26 HB2 SER 6 2HB SER 6 -5.514 -0.430 -1.916 27 HB3 SER 6 1HB SER 6 -4.111 -1.485 -2.091 28 HG SER 6 HG SER 6 -5.374 -3.061 -2.850 29 H LYS 7 H LYS 7 -5.000 -4.254 0.506 30 HA LYS 7 HA LYS 7 -2.592 -4.216 1.934 31 HB2 LYS 7 2HB LYS 7 -4.078 -6.138 1.849 32 HB3 LYS 7 1HB LYS 7 -3.813 -6.320 0.115 33 HG2 LYS 7 2HG LYS 7 -1.241 -6.336 1.190 34 HG3 LYS 7 1HG LYS 7 -2.189 -7.277 2.340 35 HD2 LYS 7 2HD LYS 7 -3.127 -8.544 0.335 36 HD3 LYS 7 1HD LYS 7 -1.877 -7.758 -0.630 37 HE2 LYS 7 2HE LYS 7 -0.336 -9.250 0.096 38 HE3 LYS 7 1HE LYS 7 -0.710 -8.853 1.786 39 HZ1 LYS 7 3HZ LYS 7 -2.525 -10.517 0.147 40 HZ2 LYS 7 1HZ LYS 7 -2.465 -10.371 1.835 41 HZ3 LYS 7 2HZ LYS 7 -1.237 -11.208 1.012 42 H TRP 8 H TRP 8 -3.114 -4.295 -1.553 43 HA TRP 8 HA TRP 8 -0.530 -4.994 -2.465 44 HB2 TRP 8 2HB TRP 8 -2.461 -4.772 -3.923 45 HB3 TRP 8 1HB TRP 8 -2.631 -3.064 -3.505 46 HD1 TRP 8 HD TRP 8 -0.398 -5.467 -5.473 47 HE1 TRP 8 1HE TRP 8 1.011 -4.101 -7.146 48 HE3 TRP 8 3HE TRP 8 -1.627 -0.728 -4.011 49 HZ2 TRP 8 2HZ TRP 8 1.550 -1.371 -7.779 50 HZ3 TRP 8 3HZ TRP 8 -0.650 1.234 -5.166 51 HH2 TRP 8 HH TRP 8 0.936 0.920 -7.046 52 H CYS 9 H CYS 9 -1.852 -1.709 -1.891 53 HA CYS 9 HA CYS 9 0.463 -0.189 -2.365 54 HB2 CYS 9 2HB CYS 9 -1.753 0.734 -1.927 55 HB3 CYS 9 1HB CYS 9 -1.735 0.093 -0.289 56 H ARG 10 H ARG 10 -0.621 -1.541 0.753 57 HA ARG 10 HA ARG 10 1.646 -0.776 2.295 58 HB2 ARG 10 2HB ARG 10 -0.382 -3.019 2.474 59 HB3 ARG 10 1HB ARG 10 0.739 -2.627 3.773 60 HG2 ARG 10 2HG ARG 10 -0.371 -0.713 4.338 61 HG3 ARG 10 1HG ARG 10 -0.774 -0.336 2.663 62 HD2 ARG 10 2HD ARG 10 -2.765 -0.972 4.130 63 HD3 ARG 10 1HD ARG 10 -2.582 -1.958 2.666 64 HE ARG 10 HE ARG 10 -1.110 -3.018 4.955 65 HH11 ARG 10 1HH2 ARG 10 -4.121 -2.863 3.269 66 HH12 ARG 10 2HH2 ARG 10 -4.689 -4.380 3.881 67 HH21 ARG 10 1HH1 ARG 10 -1.843 -4.998 5.757 68 HH22 ARG 10 2HH1 ARG 10 -3.401 -5.587 5.283 69 H ASP 11 H ASP 11 1.111 -3.567 0.177 70 HA ASP 11 HA ASP 11 3.651 -4.810 1.116 71 HB2 ASP 11 2HB ASP 11 1.101 -5.699 0.281 72 HB3 ASP 11 1HB ASP 11 2.239 -6.238 -0.954 73 H HIS 12 H HIS 12 2.511 -2.841 -1.486 74 HA HIS 12 HA HIS 12 4.730 -3.778 -3.260 75 HB2 HIS 12 2HB HIS 12 2.090 -2.404 -3.603 76 HB3 HIS 12 1HB HIS 12 3.349 -2.094 -4.803 77 HD1 HIS 12 1HD HIS 12 3.242 -3.686 -6.706 78 HD2 HIS 12 2HD HIS 12 1.968 -5.468 -3.159 79 HE1 HIS 12 1HE HIS 12 2.613 -6.070 -7.288 80 H SER 13 H SER 13 3.318 -0.769 -1.926 81 HA SER 13 HA SER 13 5.718 0.753 -2.774 82 HB2 SER 13 2HB SER 13 3.227 1.617 -1.279 83 HB3 SER 13 1HB SER 13 4.368 2.665 -2.123 84 HG SER 13 HG SER 13 3.722 1.771 -4.055 85 H ARG 14 H ARG 14 6.425 2.427 -0.974 86 HA ARG 14 HA ARG 14 6.746 0.953 1.620 87 HB2 ARG 14 2HB ARG 14 9.038 1.819 1.636 88 HB3 ARG 14 1HB ARG 14 8.746 0.967 0.118 89 HG2 ARG 14 2HG ARG 14 9.081 2.840 -1.090 90 HG3 ARG 14 1HG ARG 14 7.975 3.767 -0.074 91 HD2 ARG 14 2HD ARG 14 10.585 3.092 1.173 92 HD3 ARG 14 1HD ARG 14 10.641 4.265 -0.157 93 HE ARG 14 HE ARG 14 8.487 5.129 1.319 94 HH11 ARG 14 1HH2 ARG 14 11.753 4.280 2.057 95 HH12 ARG 14 2HH2 ARG 14 11.875 5.385 3.385 96 HH21 ARG 14 1HH1 ARG 14 8.638 6.572 3.051 97 HH22 ARG 14 2HH1 ARG 14 10.116 6.680 3.947 98 H CYS 15 H CYS 15 5.124 3.437 0.369 99 HA CYS 15 HA CYS 15 5.928 5.593 2.201 100 HB2 CYS 15 2HB CYS 15 4.162 6.796 1.023 101 HB3 CYS 15 1HB CYS 15 5.118 5.900 -0.155 102 H CYS 16 H CYS 16 3.723 2.914 2.195 103 HA CYS 16 HA CYS 16 1.783 3.999 4.061 104 HB2 CYS 16 2HB CYS 16 1.641 2.029 2.382 105 HB3 CYS 16 1HB CYS 16 2.466 1.087 3.629 106 HN1 NH2 17 1H CYS 16 4.909 2.358 4.420 107 HN2 NH2 17 2H CYS 16 4.915 2.340 6.118 Start of MODEL 18 1 H1 CYS 1 H CYS 1 2.828 8.046 -5.206 2 HA CYS 1 HA CYS 1 3.017 6.430 -3.445 3 HB2 CYS 1 2HB CYS 1 1.734 8.792 -2.098 4 HB3 CYS 1 1HB CYS 1 1.746 7.231 -1.269 5 H CYS 2 H CYS 2 1.275 5.119 -2.071 6 HA CYS 2 HA CYS 2 -1.273 5.043 -3.658 7 HB2 CYS 2 2HB CYS 2 -1.119 2.545 -3.143 8 HB3 CYS 2 1HB CYS 2 0.114 3.168 -4.245 9 H ASN 3 H ASN 3 -3.057 3.884 -2.366 10 HA ASN 3 HA ASN 3 -3.211 5.087 0.318 11 HB2 ASN 3 2HB ASN 3 -5.541 4.152 0.161 12 HB3 ASN 3 1HB ASN 3 -5.108 5.176 -1.212 13 HD21 ASN 3 1HD2 ASN 3 -6.952 2.668 -0.877 14 HD22 ASN 3 2HD2 ASN 3 -6.481 1.670 -2.167 15 H CYS 4 H CYS 4 -3.296 3.925 2.251 16 HA CYS 4 HA CYS 4 -1.915 1.400 2.392 17 HB2 CYS 4 2HB CYS 4 -3.503 3.163 4.257 18 HB3 CYS 4 1HB CYS 4 -2.832 1.626 4.817 19 H SER 5 H SER 5 -5.343 2.326 2.519 20 HA SER 5 HA SER 5 -6.623 0.048 3.414 21 HB2 SER 5 2HB SER 5 -7.140 2.259 1.591 22 HB3 SER 5 1HB SER 5 -8.018 0.813 1.103 23 HG SER 5 HG SER 5 -8.457 0.756 3.544 24 H SER 6 H SER 6 -4.922 0.440 0.339 25 HA SER 6 HA SER 6 -5.866 -2.156 -0.693 26 HB2 SER 6 2HB SER 6 -4.422 0.235 -1.610 27 HB3 SER 6 1HB SER 6 -3.812 -1.266 -2.304 28 HG SER 6 HG SER 6 -6.045 -1.746 -2.815 29 H LYS 7 H LYS 7 -4.948 -3.959 0.212 30 HA LYS 7 HA LYS 7 -2.622 -4.206 1.729 31 HB2 LYS 7 2HB LYS 7 -3.989 -6.051 -0.247 32 HB3 LYS 7 1HB LYS 7 -2.671 -6.597 0.791 33 HG2 LYS 7 2HG LYS 7 -5.144 -5.236 1.879 34 HG3 LYS 7 1HG LYS 7 -5.021 -6.987 1.703 35 HD2 LYS 7 2HD LYS 7 -3.245 -5.194 3.381 36 HD3 LYS 7 1HD LYS 7 -4.368 -6.422 3.964 37 HE2 LYS 7 2HE LYS 7 -2.969 -8.086 2.532 38 HE3 LYS 7 1HE LYS 7 -1.732 -6.812 2.549 39 HZ1 LYS 7 3HZ LYS 7 -3.117 -7.782 4.988 40 HZ2 LYS 7 1HZ LYS 7 -1.773 -6.751 4.908 41 HZ3 LYS 7 2HZ LYS 7 -1.615 -8.385 4.469 42 H TRP 8 H TRP 8 -2.924 -4.323 -1.824 43 HA TRP 8 HA TRP 8 -0.301 -5.043 -2.529 44 HB2 TRP 8 2HB TRP 8 -1.997 -4.814 -4.196 45 HB3 TRP 8 1HB TRP 8 -2.339 -3.147 -3.719 46 HD1 TRP 8 HD TRP 8 0.104 -5.268 -5.712 47 HE1 TRP 8 1HE TRP 8 1.629 -3.717 -7.098 48 HE3 TRP 8 3HE TRP 8 -1.250 -0.741 -3.779 49 HZ2 TRP 8 2HZ TRP 8 2.200 -0.923 -7.348 50 HZ3 TRP 8 3HZ TRP 8 -0.199 1.340 -4.608 51 HH2 TRP 8 HH TRP 8 1.520 1.258 -6.387 52 H CYS 9 H CYS 9 -1.553 -1.704 -2.114 53 HA CYS 9 HA CYS 9 0.780 -0.220 -2.413 54 HB2 CYS 9 2HB CYS 9 -1.440 0.708 -1.965 55 HB3 CYS 9 1HB CYS 9 -1.432 0.017 -0.346 56 H ARG 10 H ARG 10 -0.373 -1.723 0.604 57 HA ARG 10 HA ARG 10 1.875 -1.037 2.225 58 HB2 ARG 10 2HB ARG 10 -0.308 -3.116 2.264 59 HB3 ARG 10 1HB ARG 10 0.889 -3.035 3.552 60 HG2 ARG 10 2HG ARG 10 0.248 -0.814 4.148 61 HG3 ARG 10 1HG ARG 10 -0.706 -0.622 2.677 62 HD2 ARG 10 2HD ARG 10 -2.215 -1.061 4.565 63 HD3 ARG 10 1HD ARG 10 -2.213 -2.474 3.490 64 HE ARG 10 HE ARG 10 -1.044 -3.691 5.155 65 HH11 ARG 10 1HH2 ARG 10 -1.045 -0.293 5.780 66 HH12 ARG 10 2HH2 ARG 10 -0.354 -0.455 7.359 67 HH21 ARG 10 1HH1 ARG 10 -0.142 -3.911 7.210 68 HH22 ARG 10 2HH1 ARG 10 0.157 -2.500 8.168 69 H ASP 11 H ASP 11 1.213 -3.920 0.217 70 HA ASP 11 HA ASP 11 3.699 -5.230 1.108 71 HB2 ASP 11 2HB ASP 11 1.205 -5.962 0.027 72 HB3 ASP 11 1HB ASP 11 2.389 -6.374 -1.214 73 H HIS 12 H HIS 12 2.546 -3.428 -1.706 74 HA HIS 12 HA HIS 12 4.997 -4.028 -3.250 75 HB2 HIS 12 2HB HIS 12 2.319 -2.775 -3.660 76 HB3 HIS 12 1HB HIS 12 3.619 -2.272 -4.745 77 HD1 HIS 12 1HD HIS 12 3.900 -3.734 -6.740 78 HD2 HIS 12 2HD HIS 12 2.223 -5.824 -3.547 79 HE1 HIS 12 1HE HIS 12 3.419 -6.073 -7.587 80 H SER 13 H SER 13 3.293 -0.971 -2.475 81 HA SER 13 HA SER 13 5.857 0.491 -2.629 82 HB2 SER 13 2HB SER 13 3.423 1.917 -1.803 83 HB3 SER 13 1HB SER 13 4.488 2.223 -3.175 84 HG SER 13 HG SER 13 3.189 1.106 -4.395 85 H ARG 14 H ARG 14 6.390 2.055 -0.852 86 HA ARG 14 HA ARG 14 5.732 0.883 1.828 87 HB2 ARG 14 2HB ARG 14 8.115 2.431 0.759 88 HB3 ARG 14 1HB ARG 14 7.935 1.938 2.444 89 HG2 ARG 14 2HG ARG 14 7.434 -0.415 1.124 90 HG3 ARG 14 1HG ARG 14 8.651 0.324 0.084 91 HD2 ARG 14 2HD ARG 14 9.691 0.810 2.590 92 HD3 ARG 14 1HD ARG 14 8.947 -0.788 2.795 93 HE ARG 14 HE ARG 14 10.363 -0.637 0.283 94 HH11 ARG 14 1HH2 ARG 14 10.747 -0.949 3.701 95 HH12 ARG 14 2HH2 ARG 14 12.226 -1.840 3.585 96 HH21 ARG 14 1HH1 ARG 14 12.293 -1.799 0.118 97 HH22 ARG 14 2HH1 ARG 14 13.101 -2.321 1.558 98 H CYS 15 H CYS 15 4.851 3.397 -0.117 99 HA CYS 15 HA CYS 15 5.093 5.765 1.399 100 HB2 CYS 15 2HB CYS 15 3.084 4.628 -0.534 101 HB3 CYS 15 1HB CYS 15 2.797 6.204 0.202 102 H CYS 16 H CYS 16 3.271 2.905 2.077 103 HA CYS 16 HA CYS 16 1.207 4.100 3.728 104 HB2 CYS 16 2HB CYS 16 1.255 1.828 2.567 105 HB3 CYS 16 1HB CYS 16 2.359 1.299 3.842 106 HN1 NH2 17 1H CYS 16 3.215 5.494 4.793 107 HN2 NH2 17 2H CYS 16 3.795 4.846 6.251 Start of MODEL 19 1 H1 CYS 1 H CYS 1 1.755 9.082 -4.580 2 HA CYS 1 HA CYS 1 2.246 6.772 -4.666 3 HB2 CYS 1 2HB CYS 1 2.888 5.830 -2.465 4 HB3 CYS 1 1HB CYS 1 3.544 7.457 -2.673 5 H CYS 2 H CYS 2 1.340 4.562 -3.756 6 HA CYS 2 HA CYS 2 -1.422 4.366 -4.320 7 HB2 CYS 2 2HB CYS 2 -1.146 2.107 -3.263 8 HB3 CYS 2 1HB CYS 2 0.148 2.502 -4.399 9 H ASN 3 H ASN 3 -2.678 2.999 -2.283 10 HA ASN 3 HA ASN 3 -2.821 5.040 -0.087 11 HB2 ASN 3 2HB ASN 3 -4.708 4.166 -1.996 12 HB3 ASN 3 1HB ASN 3 -5.210 3.446 -0.463 13 HD21 ASN 3 1HD2 ASN 3 -6.421 4.800 0.870 14 HD22 ASN 3 2HD2 ASN 3 -6.445 6.494 0.774 15 H CYS 4 H CYS 4 -3.218 4.226 2.043 16 HA CYS 4 HA CYS 4 -2.022 1.662 2.650 17 HB2 CYS 4 2HB CYS 4 -3.392 3.909 4.090 18 HB3 CYS 4 1HB CYS 4 -3.129 2.390 4.956 19 H SER 5 H SER 5 -5.184 2.599 1.719 20 HA SER 5 HA SER 5 -6.714 0.630 3.191 21 HB2 SER 5 2HB SER 5 -7.602 2.716 2.175 22 HB3 SER 5 1HB SER 5 -7.243 2.076 0.573 23 HG SER 5 HG SER 5 -9.249 1.392 0.811 24 H SER 6 H SER 6 -4.682 0.476 0.383 25 HA SER 6 HA SER 6 -5.902 -2.110 -0.481 26 HB2 SER 6 2HB SER 6 -4.448 0.132 -1.695 27 HB3 SER 6 1HB SER 6 -3.842 -1.442 -2.216 28 HG SER 6 HG SER 6 -6.607 -1.058 -2.091 29 H LYS 7 H LYS 7 -4.951 -3.949 0.288 30 HA LYS 7 HA LYS 7 -2.629 -4.077 1.895 31 HB2 LYS 7 2HB LYS 7 -4.326 -5.833 1.752 32 HB3 LYS 7 1HB LYS 7 -3.922 -6.122 0.059 33 HG2 LYS 7 2HG LYS 7 -1.467 -6.380 1.225 34 HG3 LYS 7 1HG LYS 7 -2.513 -6.994 2.506 35 HD2 LYS 7 2HD LYS 7 -3.640 -8.419 0.702 36 HD3 LYS 7 1HD LYS 7 -2.284 -7.986 -0.342 37 HE2 LYS 7 2HE LYS 7 -1.579 -10.020 0.647 38 HE3 LYS 7 1HE LYS 7 -0.807 -8.795 1.674 39 HZ1 LYS 7 3HZ LYS 7 -2.258 -9.143 3.356 40 HZ2 LYS 7 1HZ LYS 7 -2.381 -10.684 2.661 41 HZ3 LYS 7 2HZ LYS 7 -3.556 -9.507 2.321 42 H TRP 8 H TRP 8 -2.969 -4.536 -1.634 43 HA TRP 8 HA TRP 8 -0.344 -5.337 -2.268 44 HB2 TRP 8 2HB TRP 8 -2.016 -5.299 -3.964 45 HB3 TRP 8 1HB TRP 8 -2.413 -3.608 -3.642 46 HD1 TRP 8 HD TRP 8 0.127 -5.818 -5.411 47 HE1 TRP 8 1HE TRP 8 1.596 -4.349 -6.939 48 HE3 TRP 8 3HE TRP 8 -1.448 -1.185 -3.957 49 HZ2 TRP 8 2HZ TRP 8 2.042 -1.573 -7.474 50 HZ3 TRP 8 3HZ TRP 8 -0.487 0.851 -4.989 51 HH2 TRP 8 HH TRP 8 1.254 0.664 -6.744 52 H CYS 9 H CYS 9 -1.616 -1.986 -2.214 53 HA CYS 9 HA CYS 9 0.683 -0.500 -2.658 54 HB2 CYS 9 2HB CYS 9 -1.434 0.552 -2.292 55 HB3 CYS 9 1HB CYS 9 -1.617 -0.197 -0.713 56 H ARG 10 H ARG 10 -0.441 -1.643 0.521 57 HA ARG 10 HA ARG 10 1.844 -0.872 2.035 58 HB2 ARG 10 2HB ARG 10 -0.290 -3.003 2.301 59 HB3 ARG 10 1HB ARG 10 0.868 -2.662 3.581 60 HG2 ARG 10 2HG ARG 10 0.105 -0.177 3.246 61 HG3 ARG 10 1HG ARG 10 -1.313 -0.908 2.495 62 HD2 ARG 10 2HD ARG 10 -0.295 -1.518 5.296 63 HD3 ARG 10 1HD ARG 10 -1.732 -0.553 4.899 64 HE ARG 10 HE ARG 10 -2.107 -2.923 3.502 65 HH11 ARG 10 1HH2 ARG 10 -1.475 -2.024 6.778 66 HH12 ARG 10 2HH2 ARG 10 -2.328 -3.373 7.448 67 HH21 ARG 10 1HH1 ARG 10 -3.222 -4.686 4.367 68 HH22 ARG 10 2HH1 ARG 10 -3.314 -4.879 6.085 69 H ASP 11 H ASP 11 1.185 -3.744 0.079 70 HA ASP 11 HA ASP 11 3.712 -5.014 1.015 71 HB2 ASP 11 2HB ASP 11 1.278 -5.895 -0.546 72 HB3 ASP 11 1HB ASP 11 2.708 -6.917 -0.398 73 H HIS 12 H HIS 12 2.915 -2.816 -1.320 74 HA HIS 12 HA HIS 12 5.040 -3.868 -3.156 75 HB2 HIS 12 2HB HIS 12 2.215 -3.048 -3.659 76 HB3 HIS 12 1HB HIS 12 3.412 -2.621 -4.886 77 HD1 HIS 12 1HD HIS 12 4.277 -4.481 -6.370 78 HD2 HIS 12 2HD HIS 12 2.053 -5.928 -3.155 79 HE1 HIS 12 1HE HIS 12 3.962 -6.960 -6.775 80 H SER 13 H SER 13 3.969 -1.300 -1.225 81 HA SER 13 HA SER 13 5.777 0.586 -2.699 82 HB2 SER 13 2HB SER 13 3.461 1.666 -1.181 83 HB3 SER 13 1HB SER 13 4.128 2.182 -2.730 84 HG SER 13 HG SER 13 2.858 0.814 -3.731 85 H ARG 14 H ARG 14 6.051 2.611 -1.024 86 HA ARG 14 HA ARG 14 6.733 1.416 1.643 87 HB2 ARG 14 2HB ARG 14 8.771 2.756 1.564 88 HB3 ARG 14 1HB ARG 14 8.660 1.807 0.082 89 HG2 ARG 14 2HG ARG 14 8.412 3.652 -1.223 90 HG3 ARG 14 1HG ARG 14 7.340 4.442 -0.066 91 HD2 ARG 14 2HD ARG 14 9.290 5.042 1.341 92 HD3 ARG 14 1HD ARG 14 10.368 4.263 0.164 93 HE ARG 14 HE ARG 14 8.696 6.068 -1.257 94 HH11 ARG 14 1HH2 ARG 14 11.203 6.049 1.122 95 HH12 ARG 14 2HH2 ARG 14 11.820 7.601 0.669 96 HH21 ARG 14 1HH1 ARG 14 9.493 8.094 -1.852 97 HH22 ARG 14 2HH1 ARG 14 10.856 8.757 -1.013 98 H CYS 15 H CYS 15 4.484 3.264 0.416 99 HA CYS 15 HA CYS 15 4.799 5.766 1.907 100 HB2 CYS 15 2HB CYS 15 3.351 4.830 -0.268 101 HB3 CYS 15 1HB CYS 15 2.120 4.996 0.984 102 H CYS 16 H CYS 16 3.089 2.691 2.317 103 HA CYS 16 HA CYS 16 1.738 3.615 4.775 104 HB2 CYS 16 2HB CYS 16 1.064 1.909 2.808 105 HB3 CYS 16 1HB CYS 16 1.827 0.759 3.910 106 HN1 NH2 17 1H CYS 16 4.878 2.950 4.297 107 HN2 NH2 17 2H CYS 16 5.256 2.076 5.701 Start of MODEL 20 1 H1 CYS 1 H CYS 1 1.019 8.638 -4.767 2 HA CYS 1 HA CYS 1 2.706 6.471 -4.312 3 HB2 CYS 1 2HB CYS 1 2.571 7.970 -2.015 4 HB3 CYS 1 1HB CYS 1 1.334 6.747 -1.711 5 H CYS 2 H CYS 2 0.941 4.948 -2.508 6 HA CYS 2 HA CYS 2 -1.493 4.787 -4.256 7 HB2 CYS 2 2HB CYS 2 -1.374 2.317 -3.572 8 HB3 CYS 2 1HB CYS 2 -0.096 2.883 -4.650 9 H ASN 3 H ASN 3 -3.234 3.384 -2.946 10 HA ASN 3 HA ASN 3 -3.790 4.911 -0.488 11 HB2 ASN 3 2HB ASN 3 -5.230 3.765 -2.592 12 HB3 ASN 3 1HB ASN 3 -5.616 2.747 -1.201 13 HD21 ASN 3 1HD2 ASN 3 -5.763 4.435 0.926 14 HD22 ASN 3 2HD2 ASN 3 -6.888 5.678 0.664 15 H CYS 4 H CYS 4 -3.040 4.162 1.453 16 HA CYS 4 HA CYS 4 -1.841 1.644 1.932 17 HB2 CYS 4 2HB CYS 4 -3.033 3.869 3.530 18 HB3 CYS 4 1HB CYS 4 -2.686 2.360 4.380 19 H SER 5 H SER 5 -5.197 2.497 1.693 20 HA SER 5 HA SER 5 -6.451 0.558 3.326 21 HB2 SER 5 2HB SER 5 -7.082 2.397 1.237 22 HB3 SER 5 1HB SER 5 -7.834 0.857 0.830 23 HG SER 5 HG SER 5 -7.985 1.898 3.444 24 H SER 6 H SER 6 -5.303 0.262 -0.041 25 HA SER 6 HA SER 6 -6.084 -2.551 -0.230 26 HB2 SER 6 2HB SER 6 -5.390 -0.399 -1.927 27 HB3 SER 6 1HB SER 6 -4.170 -1.644 -2.197 28 HG SER 6 HG SER 6 -5.946 -3.127 -2.450 29 H LYS 7 H LYS 7 -4.870 -4.166 0.634 30 HA LYS 7 HA LYS 7 -2.430 -3.953 1.980 31 HB2 LYS 7 2HB LYS 7 -4.048 -5.895 1.863 32 HB3 LYS 7 1HB LYS 7 -3.353 -6.302 0.294 33 HG2 LYS 7 2HG LYS 7 -1.513 -7.223 1.233 34 HG3 LYS 7 1HG LYS 7 -1.315 -5.873 2.350 35 HD2 LYS 7 2HD LYS 7 -3.028 -6.798 3.828 36 HD3 LYS 7 1HD LYS 7 -3.329 -8.114 2.693 37 HE2 LYS 7 2HE LYS 7 -1.784 -8.689 4.656 38 HE3 LYS 7 1HE LYS 7 -1.113 -9.025 3.048 39 HZ1 LYS 7 3HZ LYS 7 0.054 -6.980 3.058 40 HZ2 LYS 7 1HZ LYS 7 0.379 -7.711 4.553 41 HZ3 LYS 7 2HZ LYS 7 -0.743 -6.440 4.458 42 H TRP 8 H TRP 8 -2.981 -4.505 -1.493 43 HA TRP 8 HA TRP 8 -0.397 -5.118 -2.384 44 HB2 TRP 8 2HB TRP 8 -2.281 -5.068 -3.877 45 HB3 TRP 8 1HB TRP 8 -2.602 -3.370 -3.512 46 HD1 TRP 8 HD TRP 8 -0.351 -5.631 -5.570 47 HE1 TRP 8 1HE TRP 8 1.012 -4.190 -7.217 48 HE3 TRP 8 3HE TRP 8 -1.539 -0.974 -3.853 49 HZ2 TRP 8 2HZ TRP 8 1.531 -1.420 -7.732 50 HZ3 TRP 8 3HZ TRP 8 -0.598 1.041 -4.938 51 HH2 TRP 8 HH TRP 8 0.933 0.828 -6.873 52 H CYS 9 H CYS 9 -1.800 -1.870 -1.860 53 HA CYS 9 HA CYS 9 0.439 -0.288 -2.534 54 HB2 CYS 9 2HB CYS 9 -1.813 0.547 -2.034 55 HB3 CYS 9 1HB CYS 9 -1.661 0.022 -0.363 56 H ARG 10 H ARG 10 -0.466 -1.607 0.657 57 HA ARG 10 HA ARG 10 1.889 -0.700 2.038 58 HB2 ARG 10 2HB ARG 10 -0.235 -2.800 2.480 59 HB3 ARG 10 1HB ARG 10 1.037 -2.507 3.661 60 HG2 ARG 10 2HG ARG 10 0.381 -0.147 3.819 61 HG3 ARG 10 1HG ARG 10 -0.874 -0.406 2.607 62 HD2 ARG 10 2HD ARG 10 -0.788 -2.010 5.176 63 HD3 ARG 10 1HD ARG 10 -1.661 -0.472 5.048 64 HE ARG 10 HE ARG 10 -2.291 -2.223 2.830 65 HH11 ARG 10 1HH2 ARG 10 -2.903 -1.546 6.162 66 HH12 ARG 10 2HH2 ARG 10 -4.485 -2.253 6.147 67 HH21 ARG 10 1HH1 ARG 10 -4.350 -3.144 2.800 68 HH22 ARG 10 2HH1 ARG 10 -5.303 -3.157 4.246 69 H ASP 11 H ASP 11 1.241 -3.497 0.019 70 HA ASP 11 HA ASP 11 3.699 -4.866 0.982 71 HB2 ASP 11 2HB ASP 11 1.450 -5.629 -0.904 72 HB3 ASP 11 1HB ASP 11 2.785 -6.698 -0.475 73 H HIS 12 H HIS 12 2.511 -3.019 -1.741 74 HA HIS 12 HA HIS 12 4.864 -3.804 -3.395 75 HB2 HIS 12 2HB HIS 12 2.177 -2.529 -3.835 76 HB3 HIS 12 1HB HIS 12 3.451 -2.292 -5.035 77 HD1 HIS 12 1HD HIS 12 3.715 -4.123 -6.716 78 HD2 HIS 12 2HD HIS 12 1.733 -5.450 -3.297 79 HE1 HIS 12 1HE HIS 12 3.011 -6.512 -7.177 80 H SER 13 H SER 13 3.408 -1.028 -1.742 81 HA SER 13 HA SER 13 5.638 0.716 -2.700 82 HB2 SER 13 2HB SER 13 2.964 1.235 -1.368 83 HB3 SER 13 1HB SER 13 4.128 2.506 -1.745 84 HG SER 13 HG SER 13 2.594 0.888 -3.450 85 H ARG 14 H ARG 14 5.974 2.491 -0.727 86 HA ARG 14 HA ARG 14 6.533 0.903 1.757 87 HB2 ARG 14 2HB ARG 14 8.311 3.007 0.490 88 HB3 ARG 14 1HB ARG 14 8.723 1.931 1.825 89 HG2 ARG 14 2HG ARG 14 8.748 0.017 0.415 90 HG3 ARG 14 1HG ARG 14 7.934 0.876 -0.894 91 HD2 ARG 14 2HD ARG 14 10.056 1.158 -1.713 92 HD3 ARG 14 1HD ARG 14 10.166 2.446 -0.496 93 HE ARG 14 HE ARG 14 11.513 1.018 0.832 94 HH11 ARG 14 1HH2 ARG 14 9.868 -0.698 -1.677 95 HH12 ARG 14 2HH2 ARG 14 10.699 -2.187 -1.378 96 HH21 ARG 14 1HH1 ARG 14 12.597 -0.924 1.231 97 HH22 ARG 14 2HH1 ARG 14 12.237 -2.316 0.266 98 H CYS 15 H CYS 15 4.952 3.541 0.439 99 HA CYS 15 HA CYS 15 5.399 5.697 2.204 100 HB2 CYS 15 2HB CYS 15 3.042 4.640 0.652 101 HB3 CYS 15 1HB CYS 15 2.878 6.091 1.642 102 H CYS 16 H CYS 16 3.174 2.918 2.579 103 HA CYS 16 HA CYS 16 2.057 3.782 5.089 104 HB2 CYS 16 2HB CYS 16 1.758 1.711 3.208 105 HB3 CYS 16 1HB CYS 16 2.172 0.904 4.725 106 HN1 NH2 17 1H CYS 16 3.138 3.820 7.079 107 HN2 NH2 17 2H CYS 16 4.466 2.848 7.496
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