NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21189 | 2h8s | 7177 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 -6.268 7.784 -3.221 2 2H GLY 1 2HT GLY 1 -6.072 6.173 -3.701 3 3H GLY 1 3HT GLY 1 -5.465 7.422 -4.667 4 1HA GLY 1 1HA GLY 1 -3.569 7.543 -3.531 5 2HA GLY 1 2HA GLY 1 -4.440 7.547 -2.002 6 H CYS 2 H CYS 2 -1.976 6.086 -2.921 7 HA CYS 2 HA CYS 2 -2.559 3.352 -3.251 8 1HB CYS 2 2HB CYS 2 -0.384 4.230 -3.827 9 2HB CYS 2 1HB CYS 2 -0.097 4.729 -2.167 10 H CYS 3 H CYS 3 -1.657 5.171 -0.327 11 HA CYS 3 HA CYS 3 -1.690 3.065 1.481 12 1HB CYS 3 2HB CYS 3 -2.481 5.900 2.125 13 2HB CYS 3 1HB CYS 3 -1.679 4.733 3.175 14 H SER 4 H SER 4 -4.311 4.755 0.024 15 HA SER 4 HA SER 4 -6.327 4.224 1.938 16 1HB SER 4 2HB SER 4 -6.404 5.896 0.013 17 2HB SER 4 1HB SER 4 -6.739 4.528 -1.039 18 HG SER 4 HG SER 4 -8.470 4.163 0.734 19 H ASP 5 H ASP 5 -4.965 2.463 -0.745 20 HA ASP 5 HA ASP 5 -6.914 0.311 -0.521 21 1HB ASP 5 2HB ASP 5 -6.094 1.060 -2.755 22 2HB ASP 5 1HB ASP 5 -4.474 0.545 -2.306 23 HA PRO 6 HA PRO 6 -4.469 -1.693 2.606 24 1HB PRO 6 2HB PRO 6 -5.672 -4.171 2.326 25 2HB PRO 6 1HB PRO 6 -6.293 -2.850 3.319 26 1HG PRO 6 2HG PRO 6 -7.089 -3.690 0.567 27 2HG PRO 6 1HG PRO 6 -8.104 -3.119 1.905 28 1HD PRO 6 2HD PRO 6 -7.454 -1.525 -0.157 29 2HD PRO 6 1HD PRO 6 -7.607 -0.893 1.495 30 H ARG 7 H ARG 7 -4.929 -3.106 -0.599 31 HA ARG 7 HA ARG 7 -2.800 -4.993 -0.373 32 1HB ARG 7 2HB ARG 7 -4.035 -3.818 -2.871 33 2HB ARG 7 1HB ARG 7 -3.068 -5.283 -2.778 34 1HG ARG 7 2HG ARG 7 -4.759 -6.464 -1.669 35 2HG ARG 7 1HG ARG 7 -5.639 -4.987 -1.266 36 1HD ARG 7 2HD ARG 7 -5.232 -6.076 -4.050 37 2HD ARG 7 1HD ARG 7 -6.704 -6.248 -3.092 38 HE ARG 7 HE ARG 7 -6.071 -3.515 -3.254 39 1HH1 ARG 7 1HH1 ARG 7 -7.099 -6.128 -5.354 40 2HH1 ARG 7 2HH1 ARG 7 -7.959 -5.091 -6.439 41 1HH2 ARG 7 1HH2 ARG 7 -7.204 -2.143 -4.657 42 2HH2 ARG 7 2HH2 ARG 7 -8.020 -2.812 -6.046 43 H CYS 8 H CYS 8 -3.160 -1.834 -1.927 44 HA CYS 8 HA CYS 8 -0.503 -1.614 -2.866 45 1HB CYS 8 2HB CYS 8 -2.575 -0.185 -3.465 46 2HB CYS 8 1HB CYS 8 -2.172 0.754 -2.032 47 H ASN 9 H ASN 9 -2.039 -0.822 0.184 48 HA ASN 9 HA ASN 9 0.102 0.599 1.373 49 1HB ASN 9 2HB ASN 9 -2.372 0.424 2.116 50 2HB ASN 9 1HB ASN 9 -1.897 -1.084 2.882 51 1HD2 ASN 9 1HD2 ASN 9 -2.541 1.969 3.552 52 2HD2 ASN 9 2HD2 ASN 9 -1.471 2.244 4.885 53 H TYR 10 H TYR 10 -0.927 -2.788 1.562 54 HA TYR 10 HA TYR 10 1.164 -3.670 3.256 55 1HB TYR 10 2HB TYR 10 -0.998 -4.848 2.967 56 2HB TYR 10 1HB TYR 10 -0.531 -5.270 1.324 57 HD1 TYR 10 1HD TYR 10 -0.094 -7.526 1.174 58 HD2 TYR 10 2HD TYR 10 1.248 -5.415 4.617 59 HE1 TYR 10 1HE TYR 10 0.979 -9.575 2.007 60 HE2 TYR 10 2HE TYR 10 2.325 -7.459 5.456 61 HH TYR 10 HH TYR 10 3.256 -9.763 4.038 62 H ASP 11 H ASP 11 0.951 -3.135 -0.141 63 HA ASP 11 HA ASP 11 3.236 -4.777 -0.836 64 1HB ASP 11 2HB ASP 11 1.316 -4.428 -2.376 65 2HB ASP 11 1HB ASP 11 1.705 -2.721 -2.453 66 H HIS 12 H HIS 12 2.478 -1.391 -0.304 67 HA HIS 12 HA HIS 12 5.337 -0.734 -0.656 68 1HB HIS 12 2HB HIS 12 3.010 1.166 -1.012 69 2HB HIS 12 1HB HIS 12 4.697 1.451 -1.434 70 HD1 HIS 12 1HD HIS 12 2.036 1.375 -3.335 71 HD2 HIS 12 2HD HIS 12 5.071 -1.440 -3.091 72 HE1 HIS 12 1HE HIS 12 1.940 0.095 -5.490 73 HE2 HIS 12 2HE HIS 12 3.549 -1.812 -5.134 74 HA PRO 13 HA PRO 13 4.210 0.114 3.778 75 1HB PRO 13 2HB PRO 13 6.324 -1.143 4.887 76 2HB PRO 13 1HB PRO 13 4.847 -1.998 4.425 77 1HG PRO 13 2HG PRO 13 7.454 -1.799 2.972 78 2HG PRO 13 1HG PRO 13 6.411 -3.213 3.209 79 1HD PRO 13 2HD PRO 13 6.450 -1.753 0.909 80 2HD PRO 13 1HD PRO 13 5.017 -2.628 1.482 81 H GLU 14 H GLU 14 6.990 0.668 1.777 82 HA GLU 14 HA GLU 14 8.287 2.384 3.709 83 1HB GLU 14 2HB GLU 14 10.029 2.676 2.137 84 2HB GLU 14 1HB GLU 14 9.537 1.000 1.988 85 1HG GLU 14 2HG GLU 14 8.633 3.189 0.131 86 2HG GLU 14 1HG GLU 14 10.031 2.162 -0.162 87 H ILE 15 H ILE 15 6.385 2.712 0.771 88 HA ILE 15 HA ILE 15 6.524 5.574 0.700 89 HB ILE 15 HB ILE 15 4.531 3.737 -0.644 90 1HG1 ILE 15 2HG1 ILE 15 7.098 4.916 -1.735 91 2HG1 ILE 15 1HG1 ILE 15 6.901 3.242 -1.223 92 1HG2 ILE 15 1HG2 ILE 15 4.402 6.457 -0.383 93 2HG2 ILE 15 2HG2 ILE 15 3.647 5.520 -1.672 94 3HG2 ILE 15 3HG2 ILE 15 5.223 6.265 -1.932 95 1HD1 ILE 15 1HD1 ILE 15 5.303 4.533 -3.420 96 2HD1 ILE 15 2HD1 ILE 15 5.339 2.825 -2.982 97 3HD1 ILE 15 3HD1 ILE 15 6.771 3.588 -3.674 98 H CYS 16 H CYS 16 4.125 3.200 1.773 99 HA CYS 16 HA CYS 16 2.499 5.359 2.900 100 1HB CYS 16 2HB CYS 16 1.962 2.447 2.367 101 2HB CYS 16 1HB CYS 16 0.871 3.447 3.323 102 1HN NH2 17 1H CYS 16 5.095 4.246 3.988 103 2HN NH2 17 2H CYS 16 4.739 3.854 5.630 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 -6.055 8.027 -3.233 2 2H GLY 1 2HT GLY 1 -5.863 6.456 -3.830 3 3H GLY 1 3HT GLY 1 -5.133 7.758 -4.626 4 1HA GLY 1 1HA GLY 1 -3.353 7.726 -3.312 5 2HA GLY 1 2HA GLY 1 -4.363 7.611 -1.875 6 H CYS 2 H CYS 2 -1.857 6.173 -2.662 7 HA CYS 2 HA CYS 2 -2.506 3.487 -3.289 8 1HB CYS 2 2HB CYS 2 -0.284 4.279 -3.712 9 2HB CYS 2 1HB CYS 2 -0.064 4.740 -2.029 10 H CYS 3 H CYS 3 -1.673 5.036 -0.196 11 HA CYS 3 HA CYS 3 -1.883 2.802 1.441 12 1HB CYS 3 2HB CYS 3 -2.630 5.561 2.364 13 2HB CYS 3 1HB CYS 3 -1.763 4.299 3.238 14 H SER 4 H SER 4 -4.341 4.616 -0.089 15 HA SER 4 HA SER 4 -6.497 4.183 1.679 16 1HB SER 4 2HB SER 4 -6.409 5.785 -0.303 17 2HB SER 4 1HB SER 4 -6.687 4.387 -1.333 18 HG SER 4 HG SER 4 -8.550 4.116 0.336 19 H ASP 5 H ASP 5 -5.002 2.314 -0.859 20 HA ASP 5 HA ASP 5 -6.966 0.165 -0.595 21 1HB ASP 5 2HB ASP 5 -6.415 0.482 -2.862 22 2HB ASP 5 1HB ASP 5 -4.707 0.714 -2.512 23 HA PRO 6 HA PRO 6 -4.532 -1.675 2.627 24 1HB PRO 6 2HB PRO 6 -5.680 -4.199 2.350 25 2HB PRO 6 1HB PRO 6 -6.303 -2.893 3.364 26 1HG PRO 6 2HG PRO 6 -7.153 -3.750 0.638 27 2HG PRO 6 1HG PRO 6 -8.134 -3.145 1.984 28 1HD PRO 6 2HD PRO 6 -7.513 -1.603 -0.131 29 2HD PRO 6 1HD PRO 6 -7.643 -0.931 1.507 30 H ARG 7 H ARG 7 -4.956 -3.177 -0.541 31 HA ARG 7 HA ARG 7 -2.800 -5.003 -0.312 32 1HB ARG 7 2HB ARG 7 -4.600 -5.233 -1.993 33 2HB ARG 7 1HB ARG 7 -4.012 -3.786 -2.800 34 1HG ARG 7 2HG ARG 7 -1.756 -5.263 -2.760 35 2HG ARG 7 1HG ARG 7 -2.977 -6.536 -2.854 36 1HD ARG 7 2HD ARG 7 -2.349 -5.915 -5.085 37 2HD ARG 7 1HD ARG 7 -3.989 -5.341 -4.783 38 HE ARG 7 HE ARG 7 -3.254 -3.182 -4.983 39 1HH1 ARG 7 1HH1 ARG 7 -0.466 -5.297 -4.689 40 2HH1 ARG 7 2HH1 ARG 7 0.694 -4.029 -4.951 41 1HH2 ARG 7 1HH2 ARG 7 -1.726 -1.518 -5.349 42 2HH2 ARG 7 2HH2 ARG 7 -0.032 -1.891 -5.343 43 H CYS 8 H CYS 8 -3.114 -1.866 -1.940 44 HA CYS 8 HA CYS 8 -0.441 -1.572 -2.757 45 1HB CYS 8 2HB CYS 8 -2.556 -0.196 -3.372 46 2HB CYS 8 1HB CYS 8 -2.174 0.754 -1.942 47 H ASN 9 H ASN 9 -2.080 -0.757 0.253 48 HA ASN 9 HA ASN 9 -0.002 0.708 1.479 49 1HB ASN 9 2HB ASN 9 -2.458 0.497 2.204 50 2HB ASN 9 1HB ASN 9 -1.996 -1.035 2.932 51 1HD2 ASN 9 1HD2 ASN 9 -1.414 -0.967 4.977 52 2HD2 ASN 9 2HD2 ASN 9 -0.834 0.422 5.820 53 H TYR 10 H TYR 10 -0.888 -2.710 1.609 54 HA TYR 10 HA TYR 10 1.281 -3.473 3.320 55 1HB TYR 10 2HB TYR 10 -0.892 -4.665 3.244 56 2HB TYR 10 1HB TYR 10 -0.547 -5.164 1.594 57 HD1 TYR 10 1HD TYR 10 1.466 -5.170 4.755 58 HD2 TYR 10 2HD TYR 10 -0.121 -7.426 1.515 59 HE1 TYR 10 1HE TYR 10 2.600 -7.178 5.605 60 HE2 TYR 10 2HE TYR 10 1.010 -9.441 2.357 61 HH TYR 10 HH TYR 10 3.416 -9.566 4.192 62 H ASP 11 H ASP 11 0.888 -2.953 0.000 63 HA ASP 11 HA ASP 11 3.026 -4.676 -0.916 64 1HB ASP 11 2HB ASP 11 0.944 -4.196 -2.210 65 2HB ASP 11 1HB ASP 11 1.445 -2.529 -2.354 66 H HIS 12 H HIS 12 2.484 -1.321 -0.140 67 HA HIS 12 HA HIS 12 5.320 -0.741 -0.734 68 1HB HIS 12 2HB HIS 12 3.018 1.216 -0.933 69 2HB HIS 12 1HB HIS 12 4.692 1.503 -1.397 70 HD1 HIS 12 1HD HIS 12 2.068 1.618 -3.257 71 HD2 HIS 12 2HD HIS 12 4.881 -1.423 -3.118 72 HE1 HIS 12 1HE HIS 12 1.849 0.398 -5.435 73 HE2 HIS 12 2HE HIS 12 3.358 -1.597 -5.178 74 HA PRO 13 HA PRO 13 4.456 -0.052 3.805 75 1HB PRO 13 2HB PRO 13 7.152 -1.209 4.053 76 2HB PRO 13 1HB PRO 13 5.655 -1.664 4.873 77 1HG PRO 13 2HG PRO 13 6.746 -3.219 2.979 78 2HG PRO 13 1HG PRO 13 4.988 -3.066 3.161 79 1HD PRO 13 2HD PRO 13 6.810 -1.749 1.178 80 2HD PRO 13 1HD PRO 13 5.207 -2.473 0.926 81 H GLU 14 H GLU 14 7.289 0.554 1.795 82 HA GLU 14 HA GLU 14 8.475 2.446 3.566 83 1HB GLU 14 2HB GLU 14 10.005 2.951 1.769 84 2HB GLU 14 1HB GLU 14 9.768 1.214 1.846 85 1HG GLU 14 2HG GLU 14 8.494 3.091 -0.135 86 2HG GLU 14 1HG GLU 14 9.840 2.005 -0.455 87 H ILE 15 H ILE 15 6.425 2.754 0.685 88 HA ILE 15 HA ILE 15 6.436 5.611 0.729 89 HB ILE 15 HB ILE 15 4.512 3.729 -0.653 90 1HG1 ILE 15 2HG1 ILE 15 6.959 5.145 -1.733 91 2HG1 ILE 15 1HG1 ILE 15 6.892 3.437 -1.315 92 1HG2 ILE 15 1HG2 ILE 15 4.199 6.414 -0.241 93 2HG2 ILE 15 2HG2 ILE 15 3.483 5.496 -1.566 94 3HG2 ILE 15 3HG2 ILE 15 4.998 6.365 -1.813 95 1HD1 ILE 15 1HD1 ILE 15 5.019 4.625 -3.326 96 2HD1 ILE 15 2HD1 ILE 15 5.484 2.939 -3.101 97 3HD1 ILE 15 3HD1 ILE 15 6.641 4.091 -3.768 98 H CYS 16 H CYS 16 4.099 3.132 1.724 99 HA CYS 16 HA CYS 16 2.477 5.200 3.011 100 1HB CYS 16 2HB CYS 16 1.952 2.308 2.349 101 2HB CYS 16 1HB CYS 16 0.872 3.262 3.362 102 1HN NH2 17 1H CYS 16 4.960 4.687 4.163 103 2HN NH2 17 2H CYS 16 4.723 3.951 5.707 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 -5.149 8.776 -3.774 2 2H GLY 1 2HT GLY 1 -5.540 9.120 -2.166 3 3H GLY 1 3HT GLY 1 -5.946 7.617 -2.832 4 1HA GLY 1 1HA GLY 1 -3.139 8.219 -3.013 5 2HA GLY 1 2HA GLY 1 -3.735 8.115 -1.361 6 H CYS 2 H CYS 2 -1.974 6.313 -3.017 7 HA CYS 2 HA CYS 2 -3.376 3.941 -3.637 8 1HB CYS 2 2HB CYS 2 -0.916 4.769 -4.182 9 2HB CYS 2 1HB CYS 2 -0.525 3.835 -2.752 10 H CYS 3 H CYS 3 -1.892 5.138 -0.704 11 HA CYS 3 HA CYS 3 -1.797 2.859 0.862 12 1HB CYS 3 2HB CYS 3 -2.464 5.605 1.903 13 2HB CYS 3 1HB CYS 3 -1.522 4.336 2.687 14 H SER 4 H SER 4 -4.526 4.582 -0.242 15 HA SER 4 HA SER 4 -6.363 4.058 1.839 16 1HB SER 4 2HB SER 4 -6.616 5.658 -0.159 17 2HB SER 4 1HB SER 4 -7.076 4.237 -1.089 18 HG SER 4 HG SER 4 -8.628 3.947 0.802 19 H ASP 5 H ASP 5 -5.122 2.237 -0.839 20 HA ASP 5 HA ASP 5 -7.010 0.054 -0.448 21 1HB ASP 5 2HB ASP 5 -6.569 0.323 -2.728 22 2HB ASP 5 1HB ASP 5 -4.861 0.653 -2.459 23 HA PRO 6 HA PRO 6 -4.452 -1.862 2.614 24 1HB PRO 6 2HB PRO 6 -5.525 -4.398 2.309 25 2HB PRO 6 1HB PRO 6 -6.206 -3.125 3.326 26 1HG PRO 6 2HG PRO 6 -6.979 -3.969 0.568 27 2HG PRO 6 1HG PRO 6 -8.011 -3.466 1.922 28 1HD PRO 6 2HD PRO 6 -7.462 -1.814 -0.122 29 2HD PRO 6 1HD PRO 6 -7.625 -1.214 1.542 30 H ARG 7 H ARG 7 -4.838 -3.244 -0.634 31 HA ARG 7 HA ARG 7 -2.665 -5.048 -0.400 32 1HB ARG 7 2HB ARG 7 -4.339 -5.381 -2.132 33 2HB ARG 7 1HB ARG 7 -3.908 -3.846 -2.878 34 1HG ARG 7 2HG ARG 7 -2.945 -5.740 -4.084 35 2HG ARG 7 1HG ARG 7 -1.691 -4.700 -3.404 36 1HD ARG 7 2HD ARG 7 -2.067 -6.474 -1.379 37 2HD ARG 7 1HD ARG 7 -2.384 -7.490 -2.784 38 HE ARG 7 HE ARG 7 -0.021 -6.063 -3.258 39 1HH1 ARG 7 1HH1 ARG 7 -1.213 -8.575 -1.131 40 2HH1 ARG 7 2HH1 ARG 7 0.346 -9.283 -0.882 41 1HH2 ARG 7 1HH2 ARG 7 2.035 -6.968 -2.939 42 2HH2 ARG 7 2HH2 ARG 7 2.203 -8.368 -1.915 43 H CYS 8 H CYS 8 -2.919 -1.874 -1.988 44 HA CYS 8 HA CYS 8 -0.199 -1.655 -2.678 45 1HB CYS 8 2HB CYS 8 -2.108 -0.203 -3.523 46 2HB CYS 8 1HB CYS 8 -2.000 0.681 -2.005 47 H ASN 9 H ASN 9 -1.949 -0.891 0.259 48 HA ASN 9 HA ASN 9 0.088 0.567 1.577 49 1HB ASN 9 2HB ASN 9 -2.422 0.323 2.173 50 2HB ASN 9 1HB ASN 9 -1.947 -1.172 2.967 51 1HD2 ASN 9 1HD2 ASN 9 -2.655 1.915 3.537 52 2HD2 ASN 9 2HD2 ASN 9 -1.697 2.201 4.950 53 H TYR 10 H TYR 10 -0.880 -2.831 1.727 54 HA TYR 10 HA TYR 10 1.222 -3.651 3.469 55 1HB TYR 10 2HB TYR 10 -0.908 -4.845 3.342 56 2HB TYR 10 1HB TYR 10 -0.612 -5.238 1.653 57 HD1 TYR 10 1HD TYR 10 -0.157 -7.465 1.353 58 HD2 TYR 10 2HD TYR 10 1.380 -5.535 4.818 59 HE1 TYR 10 1HE TYR 10 0.934 -9.561 2.028 60 HE2 TYR 10 2HE TYR 10 2.479 -7.626 5.502 61 HH TYR 10 HH TYR 10 3.086 -9.698 4.813 62 H ASP 11 H ASP 11 0.979 -3.149 0.094 63 HA ASP 11 HA ASP 11 3.187 -4.882 -0.631 64 1HB ASP 11 2HB ASP 11 1.089 -4.308 -2.034 65 2HB ASP 11 1HB ASP 11 1.894 -2.792 -2.380 66 H HIS 12 H HIS 12 2.558 -1.466 -0.111 67 HA HIS 12 HA HIS 12 5.432 -0.919 -0.519 68 1HB HIS 12 2HB HIS 12 3.160 1.021 -1.011 69 2HB HIS 12 1HB HIS 12 4.864 1.261 -1.392 70 HD1 HIS 12 1HD HIS 12 2.312 1.207 -3.404 71 HD2 HIS 12 2HD HIS 12 5.179 -1.742 -2.891 72 HE1 HIS 12 1HE HIS 12 2.240 -0.173 -5.498 73 HE2 HIS 12 2HE HIS 12 3.804 -2.093 -5.027 74 HA PRO 13 HA PRO 13 4.238 0.104 3.874 75 1HB PRO 13 2HB PRO 13 6.500 -0.937 4.980 76 2HB PRO 13 1HB PRO 13 5.040 -1.886 4.676 77 1HG PRO 13 2HG PRO 13 7.550 -1.699 3.060 78 2HG PRO 13 1HG PRO 13 6.580 -3.128 3.462 79 1HD PRO 13 2HD PRO 13 6.429 -1.900 1.056 80 2HD PRO 13 1HD PRO 13 5.032 -2.699 1.808 81 H GLU 14 H GLU 14 7.171 0.552 1.995 82 HA GLU 14 HA GLU 14 8.287 2.529 3.738 83 1HB GLU 14 2HB GLU 14 9.966 2.870 2.035 84 2HB GLU 14 1HB GLU 14 9.684 1.148 2.226 85 1HG GLU 14 2HG GLU 14 8.624 2.887 0.007 86 2HG GLU 14 1HG GLU 14 9.956 1.746 -0.114 87 H ILE 15 H ILE 15 6.496 2.649 0.674 88 HA ILE 15 HA ILE 15 6.543 5.508 0.531 89 HB ILE 15 HB ILE 15 4.740 3.556 -0.915 90 1HG1 ILE 15 2HG1 ILE 15 7.313 4.858 -1.832 91 2HG1 ILE 15 1HG1 ILE 15 7.169 3.183 -1.308 92 1HG2 ILE 15 1HG2 ILE 15 3.958 5.260 -2.194 93 2HG2 ILE 15 2HG2 ILE 15 5.443 6.197 -2.049 94 3HG2 ILE 15 3HG2 ILE 15 4.284 6.174 -0.721 95 1HD1 ILE 15 1HD1 ILE 15 5.460 4.181 -3.537 96 2HD1 ILE 15 2HD1 ILE 15 6.042 2.549 -3.207 97 3HD1 ILE 15 3HD1 ILE 15 7.150 3.771 -3.836 98 H CYS 16 H CYS 16 4.125 3.100 1.477 99 HA CYS 16 HA CYS 16 2.361 5.241 2.403 100 1HB CYS 16 2HB CYS 16 1.955 2.314 1.860 101 2HB CYS 16 1HB CYS 16 0.776 3.251 2.777 102 1HN NH2 17 1H CYS 16 4.833 4.526 3.786 103 2HN NH2 17 2H CYS 16 4.376 4.057 5.385 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 -5.577 8.322 -3.092 2 2H GLY 1 2HT GLY 1 -5.561 6.708 -3.599 3 3H GLY 1 3HT GLY 1 -4.732 7.881 -4.491 4 1HA GLY 1 1HA GLY 1 -2.927 7.775 -3.213 5 2HA GLY 1 2HA GLY 1 -3.900 7.790 -1.748 6 H CYS 2 H CYS 2 -1.545 6.126 -2.614 7 HA CYS 2 HA CYS 2 -2.394 3.486 -3.121 8 1HB CYS 2 2HB CYS 2 -0.122 4.121 -3.582 9 2HB CYS 2 1HB CYS 2 0.146 4.585 -1.908 10 H CYS 3 H CYS 3 -1.642 5.172 -0.102 11 HA CYS 3 HA CYS 3 -1.798 3.045 1.669 12 1HB CYS 3 2HB CYS 3 -2.820 5.731 2.481 13 2HB CYS 3 1HB CYS 3 -1.741 4.638 3.339 14 H SER 4 H SER 4 -4.317 4.782 0.063 15 HA SER 4 HA SER 4 -6.478 4.208 1.773 16 1HB SER 4 2HB SER 4 -6.421 5.872 -0.150 17 2HB SER 4 1HB SER 4 -6.628 4.500 -1.232 18 HG SER 4 HG SER 4 -8.514 4.082 0.344 19 H ASP 5 H ASP 5 -4.929 2.452 -0.822 20 HA ASP 5 HA ASP 5 -6.858 0.270 -0.658 21 1HB ASP 5 2HB ASP 5 -6.054 0.967 -2.882 22 2HB ASP 5 1HB ASP 5 -4.400 0.607 -2.400 23 HA PRO 6 HA PRO 6 -4.497 -1.683 2.550 24 1HB PRO 6 2HB PRO 6 -5.953 -4.104 1.666 25 2HB PRO 6 1HB PRO 6 -5.913 -3.333 3.255 26 1HG PRO 6 2HG PRO 6 -8.071 -3.177 1.670 27 2HG PRO 6 1HG PRO 6 -7.578 -1.845 2.721 28 1HD PRO 6 2HD PRO 6 -7.261 -2.139 -0.225 29 2HD PRO 6 1HD PRO 6 -7.608 -0.690 0.738 30 H ARG 7 H ARG 7 -4.955 -3.296 -0.560 31 HA ARG 7 HA ARG 7 -2.795 -5.107 -0.312 32 1HB ARG 7 2HB ARG 7 -4.828 -4.694 -2.132 33 2HB ARG 7 1HB ARG 7 -3.405 -4.216 -3.042 34 1HG ARG 7 2HG ARG 7 -3.537 -6.844 -1.603 35 2HG ARG 7 1HG ARG 7 -4.199 -6.636 -3.223 36 1HD ARG 7 2HD ARG 7 -2.081 -7.386 -3.696 37 2HD ARG 7 1HD ARG 7 -1.844 -5.641 -3.747 38 HE ARG 7 HE ARG 7 -1.327 -6.623 -1.148 39 1HH1 ARG 7 1HH1 ARG 7 0.043 -6.541 -4.364 40 2HH1 ARG 7 2HH1 ARG 7 1.689 -6.614 -3.807 41 1HH2 ARG 7 1HH2 ARG 7 0.859 -6.792 -0.421 42 2HH2 ARG 7 2HH2 ARG 7 2.142 -6.773 -1.589 43 H CYS 8 H CYS 8 -3.115 -1.965 -1.917 44 HA CYS 8 HA CYS 8 -0.433 -1.732 -2.789 45 1HB CYS 8 2HB CYS 8 -2.465 -0.329 -3.490 46 2HB CYS 8 1HB CYS 8 -2.201 0.594 -2.015 47 H ASN 9 H ASN 9 -2.082 -0.768 0.176 48 HA ASN 9 HA ASN 9 0.008 0.646 1.412 49 1HB ASN 9 2HB ASN 9 -2.425 0.548 2.138 50 2HB ASN 9 1HB ASN 9 -2.081 -1.039 2.809 51 1HD2 ASN 9 1HD2 ASN 9 -1.757 -1.011 4.897 52 2HD2 ASN 9 2HD2 ASN 9 -1.023 0.261 5.802 53 H TYR 10 H TYR 10 -0.953 -2.749 1.636 54 HA TYR 10 HA TYR 10 1.170 -3.491 3.391 55 1HB TYR 10 2HB TYR 10 -0.915 -4.977 1.831 56 2HB TYR 10 1HB TYR 10 0.412 -5.862 2.581 57 HD1 TYR 10 1HD TYR 10 -1.439 -2.892 3.875 58 HD2 TYR 10 2HD TYR 10 -0.606 -7.040 4.318 59 HE1 TYR 10 1HE TYR 10 -2.655 -2.900 6.008 60 HE2 TYR 10 2HE TYR 10 -1.823 -7.060 6.455 61 HH TYR 10 HH TYR 10 -2.990 -5.874 7.924 62 H ASP 11 H ASP 11 0.928 -3.063 0.015 63 HA ASP 11 HA ASP 11 3.133 -4.833 -0.651 64 1HB ASP 11 2HB ASP 11 1.107 -4.311 -2.139 65 2HB ASP 11 1HB ASP 11 1.868 -2.757 -2.439 66 H HIS 12 H HIS 12 2.516 -1.427 -0.158 67 HA HIS 12 HA HIS 12 5.369 -0.862 -0.652 68 1HB HIS 12 2HB HIS 12 3.039 1.048 -0.952 69 2HB HIS 12 1HB HIS 12 4.719 1.352 -1.397 70 HD1 HIS 12 1HD HIS 12 2.089 1.298 -3.303 71 HD2 HIS 12 2HD HIS 12 5.046 -1.596 -3.006 72 HE1 HIS 12 1HE HIS 12 1.974 -0.005 -5.446 73 HE2 HIS 12 2HE HIS 12 3.555 -1.935 -5.071 74 HA PRO 13 HA PRO 13 4.662 -0.071 3.846 75 1HB PRO 13 2HB PRO 13 7.504 -0.814 3.978 76 2HB PRO 13 1HB PRO 13 6.128 -1.483 4.859 77 1HG PRO 13 2HG PRO 13 7.376 -2.865 2.922 78 2HG PRO 13 1HG PRO 13 5.628 -2.997 3.192 79 1HD PRO 13 2HD PRO 13 7.110 -1.435 1.110 80 2HD PRO 13 1HD PRO 13 5.629 -2.402 0.949 81 H GLU 14 H GLU 14 7.364 0.829 1.755 82 HA GLU 14 HA GLU 14 8.271 2.968 3.406 83 1HB GLU 14 2HB GLU 14 9.726 3.561 1.565 84 2HB GLU 14 1HB GLU 14 9.734 1.818 1.775 85 1HG GLU 14 2HG GLU 14 8.201 3.331 -0.330 86 2HG GLU 14 1HG GLU 14 9.703 2.453 -0.582 87 H ILE 15 H ILE 15 6.167 2.778 0.572 88 HA ILE 15 HA ILE 15 5.834 5.608 0.353 89 HB ILE 15 HB ILE 15 4.157 3.385 -0.829 90 1HG1 ILE 15 2HG1 ILE 15 6.418 4.996 -2.041 91 2HG1 ILE 15 1HG1 ILE 15 6.541 3.323 -1.504 92 1HG2 ILE 15 1HG2 ILE 15 3.039 5.603 -0.720 93 2HG2 ILE 15 2HG2 ILE 15 3.309 5.024 -2.364 94 3HG2 ILE 15 3HG2 ILE 15 4.359 6.267 -1.684 95 1HD1 ILE 15 1HD1 ILE 15 4.865 4.383 -3.764 96 2HD1 ILE 15 2HD1 ILE 15 4.812 2.721 -3.177 97 3HD1 ILE 15 3HD1 ILE 15 6.298 3.361 -3.879 98 H CYS 16 H CYS 16 3.982 2.993 1.838 99 HA CYS 16 HA CYS 16 2.409 5.026 3.254 100 1HB CYS 16 2HB CYS 16 1.296 2.595 1.860 101 2HB CYS 16 1HB CYS 16 0.387 3.581 3.000 102 1HN NH2 17 1H CYS 16 2.982 1.521 3.055 103 2HN NH2 17 2H CYS 16 3.103 1.273 4.761 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 -4.806 8.006 -4.553 2 2H GLY 1 2HT GLY 1 -5.684 8.358 -3.152 3 3H GLY 1 3HT GLY 1 -5.620 6.769 -3.728 4 1HA GLY 1 1HA GLY 1 -3.013 7.858 -3.263 5 2HA GLY 1 2HA GLY 1 -4.006 7.829 -1.810 6 H CYS 2 H CYS 2 -1.624 6.215 -2.610 7 HA CYS 2 HA CYS 2 -2.429 3.570 -3.217 8 1HB CYS 2 2HB CYS 2 -0.160 4.257 -3.618 9 2HB CYS 2 1HB CYS 2 0.071 4.680 -1.927 10 H CYS 3 H CYS 3 -1.731 5.186 -0.158 11 HA CYS 3 HA CYS 3 -1.898 3.037 1.579 12 1HB CYS 3 2HB CYS 3 -2.832 5.806 2.290 13 2HB CYS 3 1HB CYS 3 -1.987 4.637 3.302 14 H SER 4 H SER 4 -4.393 4.671 -0.105 15 HA SER 4 HA SER 4 -6.602 4.204 1.570 16 1HB SER 4 2HB SER 4 -6.695 5.751 -0.316 17 2HB SER 4 1HB SER 4 -6.405 4.434 -1.443 18 HG SER 4 HG SER 4 -8.419 3.529 -0.703 19 H ASP 5 H ASP 5 -5.063 2.340 -0.959 20 HA ASP 5 HA ASP 5 -6.928 0.118 -0.598 21 1HB ASP 5 2HB ASP 5 -6.317 0.704 -2.880 22 2HB ASP 5 1HB ASP 5 -4.607 0.547 -2.505 23 HA PRO 6 HA PRO 6 -4.347 -1.515 2.645 24 1HB PRO 6 2HB PRO 6 -5.507 -4.045 2.577 25 2HB PRO 6 1HB PRO 6 -6.077 -2.676 3.532 26 1HG PRO 6 2HG PRO 6 -7.051 -3.686 0.907 27 2HG PRO 6 1HG PRO 6 -7.971 -3.005 2.261 28 1HD PRO 6 2HD PRO 6 -7.458 -1.579 0.042 29 2HD PRO 6 1HD PRO 6 -7.489 -0.819 1.645 30 H ARG 7 H ARG 7 -4.848 -3.195 -0.422 31 HA ARG 7 HA ARG 7 -2.654 -4.989 -0.114 32 1HB ARG 7 2HB ARG 7 -4.258 -5.638 -1.709 33 2HB ARG 7 1HB ARG 7 -4.285 -4.049 -2.454 34 1HG ARG 7 2HG ARG 7 -1.800 -4.598 -3.045 35 2HG ARG 7 1HG ARG 7 -2.331 -6.264 -2.799 36 1HD ARG 7 2HD ARG 7 -2.508 -5.165 -5.162 37 2HD ARG 7 1HD ARG 7 -3.805 -6.200 -4.563 38 HE ARG 7 HE ARG 7 -4.247 -3.468 -3.848 39 1HH1 ARG 7 1HH1 ARG 7 -4.484 -5.710 -6.528 40 2HH1 ARG 7 2HH1 ARG 7 -5.786 -4.861 -7.288 41 1HH2 ARG 7 1HH2 ARG 7 -5.985 -2.365 -4.810 42 2HH2 ARG 7 2HH2 ARG 7 -6.629 -2.948 -6.314 43 H CYS 8 H CYS 8 -3.114 -1.870 -1.715 44 HA CYS 8 HA CYS 8 -0.491 -1.595 -2.746 45 1HB CYS 8 2HB CYS 8 -2.614 -0.211 -3.284 46 2HB CYS 8 1HB CYS 8 -2.204 0.724 -1.852 47 H ASN 9 H ASN 9 -1.990 -0.791 0.318 48 HA ASN 9 HA ASN 9 0.169 0.622 1.483 49 1HB ASN 9 2HB ASN 9 -2.238 0.600 2.262 50 2HB ASN 9 1HB ASN 9 -1.958 -1.019 2.880 51 1HD2 ASN 9 1HD2 ASN 9 0.883 0.581 3.335 52 2HD2 ASN 9 2HD2 ASN 9 0.619 1.172 4.938 53 H TYR 10 H TYR 10 -0.837 -2.753 1.575 54 HA TYR 10 HA TYR 10 1.201 -3.675 3.319 55 1HB TYR 10 2HB TYR 10 -0.953 -4.810 3.007 56 2HB TYR 10 1HB TYR 10 -0.528 -5.169 1.340 57 HD1 TYR 10 1HD TYR 10 -0.168 -7.412 1.060 58 HD2 TYR 10 2HD TYR 10 1.271 -5.552 4.604 59 HE1 TYR 10 1HE TYR 10 0.807 -9.549 1.776 60 HE2 TYR 10 2HE TYR 10 2.254 -7.687 5.329 61 HH TYR 10 HH TYR 10 3.094 -9.882 3.974 62 H ASP 11 H ASP 11 0.992 -3.269 -0.125 63 HA ASP 11 HA ASP 11 3.355 -4.848 -0.698 64 1HB ASP 11 2HB ASP 11 1.413 -4.724 -2.244 65 2HB ASP 11 1HB ASP 11 1.736 -3.021 -2.489 66 H HIS 12 H HIS 12 2.455 -1.517 -0.304 67 HA HIS 12 HA HIS 12 5.251 -0.705 -0.802 68 1HB HIS 12 2HB HIS 12 2.774 1.025 -1.043 69 2HB HIS 12 1HB HIS 12 4.422 1.469 -1.491 70 HD1 HIS 12 1HD HIS 12 1.836 1.310 -3.410 71 HD2 HIS 12 2HD HIS 12 4.913 -1.459 -3.146 72 HE1 HIS 12 1HE HIS 12 1.790 0.044 -5.577 73 HE2 HIS 12 2HE HIS 12 3.447 -1.825 -5.222 74 HA PRO 13 HA PRO 13 4.363 -0.058 3.701 75 1HB PRO 13 2HB PRO 13 7.041 -1.135 4.095 76 2HB PRO 13 1HB PRO 13 5.497 -1.732 4.710 77 1HG PRO 13 2HG PRO 13 6.928 -3.050 2.823 78 2HG PRO 13 1HG PRO 13 5.157 -3.105 2.901 79 1HD PRO 13 2HD PRO 13 6.925 -1.463 1.125 80 2HD PRO 13 1HD PRO 13 5.437 -2.349 0.723 81 H GLU 14 H GLU 14 7.095 0.747 1.658 82 HA GLU 14 HA GLU 14 8.175 2.646 3.542 83 1HB GLU 14 2HB GLU 14 9.841 3.132 1.914 84 2HB GLU 14 1HB GLU 14 9.579 1.401 1.855 85 1HG GLU 14 2HG GLU 14 8.341 3.348 -0.077 86 2HG GLU 14 1HG GLU 14 9.870 2.525 -0.361 87 H ILE 15 H ILE 15 6.187 2.673 0.664 88 HA ILE 15 HA ILE 15 6.022 5.506 0.402 89 HB ILE 15 HB ILE 15 4.113 3.395 -0.624 90 1HG1 ILE 15 2HG1 ILE 15 6.430 3.020 -1.387 91 2HG1 ILE 15 1HG1 ILE 15 5.372 3.489 -2.712 92 1HG2 ILE 15 1HG2 ILE 15 3.250 4.993 -2.100 93 2HG2 ILE 15 2HG2 ILE 15 4.578 6.115 -1.796 94 3HG2 ILE 15 3HG2 ILE 15 3.362 5.831 -0.550 95 1HD1 ILE 15 1HD1 ILE 15 6.414 5.887 -1.810 96 2HD1 ILE 15 2HD1 ILE 15 6.914 4.988 -3.242 97 3HD1 ILE 15 3HD1 ILE 15 7.766 4.759 -1.715 98 H CYS 16 H CYS 16 3.930 3.033 1.836 99 HA CYS 16 HA CYS 16 2.410 5.191 3.146 100 1HB CYS 16 2HB CYS 16 1.532 2.446 2.262 101 2HB CYS 16 1HB CYS 16 0.569 3.482 3.313 102 1HN NH2 17 1H CYS 16 4.737 4.469 4.313 103 2HN NH2 17 2H CYS 16 4.450 3.534 5.737 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 -5.645 6.253 -3.817 2 2H GLY 1 2HT GLY 1 -4.908 7.546 -4.623 3 3H GLY 1 3HT GLY 1 -5.862 7.834 -3.256 4 1HA GLY 1 1HA GLY 1 -3.152 7.540 -3.279 5 2HA GLY 1 2HA GLY 1 -4.189 7.475 -1.860 6 H CYS 2 H CYS 2 -1.671 6.009 -2.574 7 HA CYS 2 HA CYS 2 -2.285 3.308 -3.128 8 1HB CYS 2 2HB CYS 2 -0.047 4.218 -3.453 9 2HB CYS 2 1HB CYS 2 0.103 4.529 -1.729 10 H CYS 3 H CYS 3 -1.601 4.964 -0.061 11 HA CYS 3 HA CYS 3 -1.867 2.778 1.644 12 1HB CYS 3 2HB CYS 3 -2.662 5.539 2.492 13 2HB CYS 3 1HB CYS 3 -1.738 4.324 3.373 14 H SER 4 H SER 4 -4.263 4.634 0.025 15 HA SER 4 HA SER 4 -6.468 4.252 1.728 16 1HB SER 4 2HB SER 4 -6.294 5.826 -0.268 17 2HB SER 4 1HB SER 4 -6.576 4.419 -1.288 18 HG SER 4 HG SER 4 -8.488 4.211 0.334 19 H ASP 5 H ASP 5 -4.976 2.306 -0.758 20 HA ASP 5 HA ASP 5 -6.995 0.210 -0.429 21 1HB ASP 5 2HB ASP 5 -6.585 0.500 -2.718 22 2HB ASP 5 1HB ASP 5 -4.857 0.735 -2.476 23 HA PRO 6 HA PRO 6 -4.413 -1.759 2.585 24 1HB PRO 6 2HB PRO 6 -5.593 -4.259 2.346 25 2HB PRO 6 1HB PRO 6 -6.179 -2.953 3.379 26 1HG PRO 6 2HG PRO 6 -7.107 -3.790 0.670 27 2HG PRO 6 1HG PRO 6 -8.054 -3.221 2.056 28 1HD PRO 6 2HD PRO 6 -7.516 -1.629 -0.042 29 2HD PRO 6 1HD PRO 6 -7.594 -0.996 1.615 30 H ARG 7 H ARG 7 -4.961 -3.143 -0.626 31 HA ARG 7 HA ARG 7 -2.854 -5.042 -0.497 32 1HB ARG 7 2HB ARG 7 -4.668 -5.205 -2.142 33 2HB ARG 7 1HB ARG 7 -4.127 -3.716 -2.899 34 1HG ARG 7 2HG ARG 7 -3.385 -5.522 -4.247 35 2HG ARG 7 1HG ARG 7 -1.970 -4.858 -3.429 36 1HD ARG 7 2HD ARG 7 -3.434 -7.144 -2.187 37 2HD ARG 7 1HD ARG 7 -2.371 -7.453 -3.556 38 HE ARG 7 HE ARG 7 -1.594 -6.909 -0.872 39 1HH1 ARG 7 1HH1 ARG 7 -0.582 -6.455 -4.201 40 2HH1 ARG 7 2HH1 ARG 7 1.106 -6.307 -3.798 41 1HH2 ARG 7 1HH2 ARG 7 0.654 -6.743 -0.372 42 2HH2 ARG 7 2HH2 ARG 7 1.793 -6.472 -1.657 43 H CYS 8 H CYS 8 -3.081 -1.869 -2.074 44 HA CYS 8 HA CYS 8 -0.377 -1.677 -2.832 45 1HB CYS 8 2HB CYS 8 -2.363 -0.256 -3.612 46 2HB CYS 8 1HB CYS 8 -2.137 0.678 -2.138 47 H ASN 9 H ASN 9 -2.089 -0.716 0.100 48 HA ASN 9 HA ASN 9 -0.020 0.706 1.368 49 1HB ASN 9 2HB ASN 9 -2.481 0.545 2.058 50 2HB ASN 9 1HB ASN 9 -2.075 -1.008 2.777 51 1HD2 ASN 9 1HD2 ASN 9 -1.651 -0.940 4.853 52 2HD2 ASN 9 2HD2 ASN 9 -1.007 0.407 5.719 53 H TYR 10 H TYR 10 -0.975 -2.692 1.580 54 HA TYR 10 HA TYR 10 1.148 -3.462 3.325 55 1HB TYR 10 2HB TYR 10 -0.986 -4.675 3.229 56 2HB TYR 10 1HB TYR 10 -0.669 -5.122 1.557 57 HD1 TYR 10 1HD TYR 10 1.328 -5.267 4.727 58 HD2 TYR 10 2HD TYR 10 -0.203 -7.360 1.353 59 HE1 TYR 10 1HE TYR 10 2.459 -7.313 5.490 60 HE2 TYR 10 2HE TYR 10 0.923 -9.411 2.107 61 HH TYR 10 HH TYR 10 3.161 -9.400 4.790 62 H ASP 11 H ASP 11 0.868 -2.993 -0.049 63 HA ASP 11 HA ASP 11 3.062 -4.738 -0.779 64 1HB ASP 11 2HB ASP 11 0.954 -4.035 -2.179 65 2HB ASP 11 1HB ASP 11 1.917 -2.621 -2.570 66 H HIS 12 H HIS 12 2.471 -1.297 -0.310 67 HA HIS 12 HA HIS 12 5.363 -0.826 -0.688 68 1HB HIS 12 2HB HIS 12 3.183 1.187 -1.268 69 2HB HIS 12 1HB HIS 12 4.889 1.297 -1.691 70 HD1 HIS 12 1HD HIS 12 2.162 1.209 -3.560 71 HD2 HIS 12 2HD HIS 12 5.112 -1.678 -3.147 72 HE1 HIS 12 1HE HIS 12 2.014 -0.206 -5.629 73 HE2 HIS 12 2HE HIS 12 3.585 -2.124 -5.168 74 HA PRO 13 HA PRO 13 3.974 0.493 3.645 75 1HB PRO 13 2HB PRO 13 6.416 -0.986 4.404 76 2HB PRO 13 1HB PRO 13 4.791 -1.077 5.091 77 1HG PRO 13 2HG PRO 13 5.787 -3.065 3.598 78 2HG PRO 13 1HG PRO 13 4.073 -2.617 3.523 79 1HD PRO 13 2HD PRO 13 6.293 -1.945 1.625 80 2HD PRO 13 1HD PRO 13 4.623 -2.437 1.274 81 H GLU 14 H GLU 14 6.873 0.442 1.777 82 HA GLU 14 HA GLU 14 8.516 2.181 3.243 83 1HB GLU 14 2HB GLU 14 9.569 2.578 0.955 84 2HB GLU 14 1HB GLU 14 9.500 0.906 1.499 85 1HG GLU 14 2HG GLU 14 7.499 0.552 0.131 86 2HG GLU 14 1HG GLU 14 7.592 2.219 -0.426 87 H ILE 15 H ILE 15 6.163 2.772 0.671 88 HA ILE 15 HA ILE 15 6.527 5.622 0.713 89 HB ILE 15 HB ILE 15 4.319 3.999 -0.566 90 1HG1 ILE 15 2HG1 ILE 15 6.504 3.327 -1.430 91 2HG1 ILE 15 1HG1 ILE 15 5.615 4.230 -2.652 92 1HG2 ILE 15 1HG2 ILE 15 4.789 6.347 -2.014 93 2HG2 ILE 15 2HG2 ILE 15 4.753 6.829 -0.317 94 3HG2 ILE 15 3HG2 ILE 15 3.386 5.961 -1.017 95 1HD1 ILE 15 1HD1 ILE 15 6.954 6.260 -1.759 96 2HD1 ILE 15 2HD1 ILE 15 7.739 5.097 -2.828 97 3HD1 ILE 15 3HD1 ILE 15 8.025 5.030 -1.088 98 H CYS 16 H CYS 16 4.026 3.342 1.755 99 HA CYS 16 HA CYS 16 2.563 5.463 3.100 100 1HB CYS 16 2HB CYS 16 2.011 2.521 2.721 101 2HB CYS 16 1HB CYS 16 0.964 3.598 3.642 102 1HN NH2 17 1H CYS 16 4.928 5.370 4.266 103 2HN NH2 17 2H CYS 16 4.865 4.599 5.812 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 -5.415 7.218 -4.723 2 2H GLY 1 2HT GLY 1 -6.233 7.598 -3.291 3 3H GLY 1 3HT GLY 1 -6.004 5.979 -3.730 4 1HA GLY 1 1HA GLY 1 -3.528 7.399 -3.581 5 2HA GLY 1 2HA GLY 1 -4.406 7.428 -2.057 6 H CYS 2 H CYS 2 -1.912 5.988 -2.916 7 HA CYS 2 HA CYS 2 -2.433 3.239 -3.194 8 1HB CYS 2 2HB CYS 2 -0.260 4.214 -3.727 9 2HB CYS 2 1HB CYS 2 -0.016 4.646 -2.039 10 H CYS 3 H CYS 3 -1.595 5.121 -0.289 11 HA CYS 3 HA CYS 3 -1.667 3.042 1.555 12 1HB CYS 3 2HB CYS 3 -2.428 5.901 2.134 13 2HB CYS 3 1HB CYS 3 -1.661 4.742 3.220 14 H SER 4 H SER 4 -4.248 4.770 0.056 15 HA SER 4 HA SER 4 -6.288 4.295 1.951 16 1HB SER 4 2HB SER 4 -6.334 5.936 0.008 17 2HB SER 4 1HB SER 4 -6.653 4.559 -1.038 18 HG SER 4 HG SER 4 -8.409 4.245 0.760 19 H ASP 5 H ASP 5 -4.969 2.474 -0.726 20 HA ASP 5 HA ASP 5 -6.939 0.348 -0.426 21 1HB ASP 5 2HB ASP 5 -6.264 0.932 -2.696 22 2HB ASP 5 1HB ASP 5 -4.573 0.641 -2.296 23 HA PRO 6 HA PRO 6 -4.443 -1.717 2.616 24 1HB PRO 6 2HB PRO 6 -5.627 -4.197 2.318 25 2HB PRO 6 1HB PRO 6 -6.256 -2.893 3.328 26 1HG PRO 6 2HG PRO 6 -7.058 -3.711 0.570 27 2HG PRO 6 1HG PRO 6 -8.072 -3.174 1.922 28 1HD PRO 6 2HD PRO 6 -7.456 -1.541 -0.123 29 2HD PRO 6 1HD PRO 6 -7.611 -0.937 1.541 30 H ARG 7 H ARG 7 -4.952 -3.118 -0.595 31 HA ARG 7 HA ARG 7 -2.832 -4.996 -0.445 32 1HB ARG 7 2HB ARG 7 -4.127 -3.731 -2.865 33 2HB ARG 7 1HB ARG 7 -3.064 -5.131 -2.900 34 1HG ARG 7 2HG ARG 7 -4.641 -6.511 -1.900 35 2HG ARG 7 1HG ARG 7 -5.567 -5.150 -1.262 36 1HD ARG 7 2HD ARG 7 -5.293 -5.844 -4.185 37 2HD ARG 7 1HD ARG 7 -6.676 -6.256 -3.173 38 HE ARG 7 HE ARG 7 -6.228 -3.487 -2.994 39 1HH1 ARG 7 1HH1 ARG 7 -7.266 -5.845 -5.371 40 2HH1 ARG 7 2HH1 ARG 7 -8.286 -4.729 -6.212 41 1HH2 ARG 7 1HH2 ARG 7 -7.561 -2.035 -4.054 42 2HH2 ARG 7 2HH2 ARG 7 -8.455 -2.536 -5.464 43 H CYS 8 H CYS 8 -3.109 -1.833 -2.027 44 HA CYS 8 HA CYS 8 -0.430 -1.650 -2.879 45 1HB CYS 8 2HB CYS 8 -2.457 -0.207 -3.555 46 2HB CYS 8 1HB CYS 8 -2.113 0.733 -2.108 47 H ASN 9 H ASN 9 -2.022 -0.803 0.133 48 HA ASN 9 HA ASN 9 0.093 0.622 1.351 49 1HB ASN 9 2HB ASN 9 -2.383 0.429 2.070 50 2HB ASN 9 1HB ASN 9 -1.910 -1.085 2.828 51 1HD2 ASN 9 1HD2 ASN 9 -2.580 1.953 3.525 52 2HD2 ASN 9 2HD2 ASN 9 -1.528 2.219 4.872 53 H TYR 10 H TYR 10 -0.917 -2.765 1.565 54 HA TYR 10 HA TYR 10 1.173 -3.626 3.268 55 1HB TYR 10 2HB TYR 10 -0.986 -4.808 2.993 56 2HB TYR 10 1HB TYR 10 -0.524 -5.242 1.352 57 HD1 TYR 10 1HD TYR 10 -0.085 -7.499 1.214 58 HD2 TYR 10 2HD TYR 10 1.257 -5.368 4.643 59 HE1 TYR 10 1HE TYR 10 0.986 -9.544 2.059 60 HE2 TYR 10 2HE TYR 10 2.334 -7.407 5.496 61 HH TYR 10 HH TYR 10 3.266 -9.715 4.102 62 H ASP 11 H ASP 11 0.955 -3.166 -0.146 63 HA ASP 11 HA ASP 11 3.258 -4.802 -0.788 64 1HB ASP 11 2HB ASP 11 1.337 -4.527 -2.343 65 2HB ASP 11 1HB ASP 11 1.708 -2.821 -2.478 66 H HIS 12 H HIS 12 2.470 -1.391 -0.414 67 HA HIS 12 HA HIS 12 5.340 -0.761 -0.735 68 1HB HIS 12 2HB HIS 12 3.057 1.143 -1.269 69 2HB HIS 12 1HB HIS 12 4.752 1.355 -1.691 70 HD1 HIS 12 1HD HIS 12 2.056 1.182 -3.576 71 HD2 HIS 12 2HD HIS 12 5.112 -1.598 -3.192 72 HE1 HIS 12 1HE HIS 12 1.975 -0.203 -5.668 73 HE2 HIS 12 2HE HIS 12 3.592 -2.081 -5.213 74 HA PRO 13 HA PRO 13 3.883 0.432 3.611 75 1HB PRO 13 2HB PRO 13 6.285 -1.058 4.435 76 2HB PRO 13 1HB PRO 13 4.627 -1.188 5.028 77 1HG PRO 13 2HG PRO 13 5.740 -3.114 3.529 78 2HG PRO 13 1HG PRO 13 4.019 -2.702 3.396 79 1HD PRO 13 2HD PRO 13 6.301 -1.916 1.617 80 2HD PRO 13 1HD PRO 13 4.664 -2.448 1.179 81 H GLU 14 H GLU 14 6.880 0.414 1.859 82 HA GLU 14 HA GLU 14 8.410 2.125 3.480 83 1HB GLU 14 2HB GLU 14 9.700 2.538 1.365 84 2HB GLU 14 1HB GLU 14 9.479 0.838 1.759 85 1HG GLU 14 2HG GLU 14 7.595 0.754 0.162 86 2HG GLU 14 1HG GLU 14 7.934 2.426 -0.279 87 H ILE 15 H ILE 15 6.231 2.768 0.773 88 HA ILE 15 HA ILE 15 6.597 5.615 0.889 89 HB ILE 15 HB ILE 15 4.452 4.028 -0.540 90 1HG1 ILE 15 2HG1 ILE 15 7.081 5.090 -1.604 91 2HG1 ILE 15 1HG1 ILE 15 6.761 3.402 -1.220 92 1HG2 ILE 15 1HG2 ILE 15 4.033 5.974 -1.832 93 2HG2 ILE 15 2HG2 ILE 15 5.439 6.803 -1.163 94 3HG2 ILE 15 3HG2 ILE 15 4.036 6.482 -0.142 95 1HD1 ILE 15 1HD1 ILE 15 6.594 4.217 -3.666 96 2HD1 ILE 15 2HD1 ILE 15 5.022 4.843 -3.169 97 3HD1 ILE 15 3HD1 ILE 15 5.366 3.120 -3.033 98 H CYS 16 H CYS 16 4.066 3.312 1.786 99 HA CYS 16 HA CYS 16 2.493 5.406 3.038 100 1HB CYS 16 2HB CYS 16 2.035 2.458 2.614 101 2HB CYS 16 1HB CYS 16 0.919 3.490 3.510 102 1HN NH2 17 1H CYS 16 4.949 5.118 4.255 103 2HN NH2 17 2H CYS 16 4.741 4.455 5.837 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 -4.435 9.063 -3.452 2 2H GLY 1 2HT GLY 1 -4.861 9.370 -1.844 3 3H GLY 1 3HT GLY 1 -5.414 7.967 -2.614 4 1HA GLY 1 1HA GLY 1 -2.548 8.231 -2.629 5 2HA GLY 1 2HA GLY 1 -3.243 8.097 -1.019 6 H CYS 2 H CYS 2 -1.616 6.201 -2.708 7 HA CYS 2 HA CYS 2 -3.274 4.057 -3.531 8 1HB CYS 2 2HB CYS 2 -0.713 4.618 -3.968 9 2HB CYS 2 1HB CYS 2 -0.483 3.550 -2.597 10 H CYS 3 H CYS 3 -1.913 4.999 -0.491 11 HA CYS 3 HA CYS 3 -1.996 2.654 0.983 12 1HB CYS 3 2HB CYS 3 -2.694 5.312 2.182 13 2HB CYS 3 1HB CYS 3 -1.690 4.021 2.845 14 H SER 4 H SER 4 -4.576 4.533 -0.231 15 HA SER 4 HA SER 4 -6.588 4.039 1.669 16 1HB SER 4 2HB SER 4 -6.657 5.624 -0.347 17 2HB SER 4 1HB SER 4 -7.037 4.205 -1.317 18 HG SER 4 HG SER 4 -8.762 3.930 0.422 19 H ASP 5 H ASP 5 -5.192 2.181 -0.907 20 HA ASP 5 HA ASP 5 -7.089 -0.006 -0.511 21 1HB ASP 5 2HB ASP 5 -6.671 0.435 -2.822 22 2HB ASP 5 1HB ASP 5 -4.931 0.498 -2.566 23 HA PRO 6 HA PRO 6 -4.394 -1.760 2.537 24 1HB PRO 6 2HB PRO 6 -5.490 -4.298 2.431 25 2HB PRO 6 1HB PRO 6 -6.122 -2.958 3.391 26 1HG PRO 6 2HG PRO 6 -7.003 -3.958 0.715 27 2HG PRO 6 1HG PRO 6 -7.983 -3.384 2.078 28 1HD PRO 6 2HD PRO 6 -7.525 -1.837 -0.062 29 2HD PRO 6 1HD PRO 6 -7.602 -1.153 1.575 30 H ARG 7 H ARG 7 -4.858 -3.277 -0.613 31 HA ARG 7 HA ARG 7 -2.753 -5.161 -0.387 32 1HB ARG 7 2HB ARG 7 -3.716 -3.910 -2.958 33 2HB ARG 7 1HB ARG 7 -2.992 -5.496 -2.740 34 1HG ARG 7 2HG ARG 7 -4.951 -6.306 -1.626 35 2HG ARG 7 1HG ARG 7 -5.664 -4.691 -1.613 36 1HD ARG 7 2HD ARG 7 -5.747 -4.697 -4.051 37 2HD ARG 7 1HD ARG 7 -5.001 -6.294 -4.082 38 HE ARG 7 HE ARG 7 -7.028 -7.219 -3.595 39 1HH1 ARG 7 1HH1 ARG 7 -7.233 -3.750 -3.022 40 2HH1 ARG 7 2HH1 ARG 7 -8.925 -3.807 -2.646 41 1HH2 ARG 7 1HH2 ARG 7 -9.257 -7.264 -3.094 42 2HH2 ARG 7 2HH2 ARG 7 -10.074 -5.793 -2.687 43 H CYS 8 H CYS 8 -2.966 -1.995 -1.971 44 HA CYS 8 HA CYS 8 -0.245 -1.825 -2.714 45 1HB CYS 8 2HB CYS 8 -2.168 -0.392 -3.574 46 2HB CYS 8 1HB CYS 8 -2.023 0.538 -2.087 47 H ASN 9 H ASN 9 -1.992 -0.918 0.190 48 HA ASN 9 HA ASN 9 0.079 0.538 1.451 49 1HB ASN 9 2HB ASN 9 -2.399 0.475 2.077 50 2HB ASN 9 1HB ASN 9 -2.060 -1.064 2.859 51 1HD2 ASN 9 1HD2 ASN 9 -1.678 -0.940 4.940 52 2HD2 ASN 9 2HD2 ASN 9 -1.016 0.418 5.775 53 H TYR 10 H TYR 10 -0.903 -2.852 1.618 54 HA TYR 10 HA TYR 10 1.081 -3.620 3.519 55 1HB TYR 10 2HB TYR 10 -1.063 -4.821 3.211 56 2HB TYR 10 1HB TYR 10 -0.534 -5.329 1.613 57 HD1 TYR 10 1HD TYR 10 1.113 -5.298 4.976 58 HD2 TYR 10 2HD TYR 10 -0.085 -7.587 1.595 59 HE1 TYR 10 1HE TYR 10 2.161 -7.291 5.962 60 HE2 TYR 10 2HE TYR 10 0.959 -9.586 2.573 61 HH TYR 10 HH TYR 10 3.156 -9.649 4.721 62 H ASP 11 H ASP 11 0.996 -3.311 0.085 63 HA ASP 11 HA ASP 11 3.320 -4.970 -0.402 64 1HB ASP 11 2HB ASP 11 1.451 -4.768 -2.029 65 2HB ASP 11 1HB ASP 11 1.829 -3.067 -2.230 66 H HIS 12 H HIS 12 2.524 -1.543 -0.212 67 HA HIS 12 HA HIS 12 5.393 -0.919 -0.522 68 1HB HIS 12 2HB HIS 12 3.072 0.924 -1.119 69 2HB HIS 12 1HB HIS 12 4.772 1.201 -1.492 70 HD1 HIS 12 1HD HIS 12 2.236 0.959 -3.518 71 HD2 HIS 12 2HD HIS 12 5.223 -1.841 -2.862 72 HE1 HIS 12 1HE HIS 12 2.231 -0.515 -5.547 73 HE2 HIS 12 2HE HIS 12 3.805 -2.386 -4.939 74 HA PRO 13 HA PRO 13 4.205 0.303 3.797 75 1HB PRO 13 2HB PRO 13 6.743 -0.916 4.548 76 2HB PRO 13 1HB PRO 13 5.114 -1.312 5.098 77 1HG PRO 13 2HG PRO 13 6.565 -2.963 3.516 78 2HG PRO 13 1HG PRO 13 4.794 -2.877 3.447 79 1HD PRO 13 2HD PRO 13 6.826 -1.613 1.640 80 2HD PRO 13 1HD PRO 13 5.303 -2.427 1.224 81 H GLU 14 H GLU 14 7.011 0.735 1.786 82 HA GLU 14 HA GLU 14 8.231 2.671 3.548 83 1HB GLU 14 2HB GLU 14 9.971 2.871 1.960 84 2HB GLU 14 1HB GLU 14 9.527 1.175 1.956 85 1HG GLU 14 2HG GLU 14 8.577 3.169 -0.087 86 2HG GLU 14 1HG GLU 14 10.000 2.156 -0.286 87 H ILE 15 H ILE 15 6.356 2.691 0.566 88 HA ILE 15 HA ILE 15 6.410 5.537 0.258 89 HB ILE 15 HB ILE 15 4.467 3.539 -0.927 90 1HG1 ILE 15 2HG1 ILE 15 7.008 4.688 -2.108 91 2HG1 ILE 15 1HG1 ILE 15 6.848 3.058 -1.464 92 1HG2 ILE 15 1HG2 ILE 15 5.137 6.382 -1.677 93 2HG2 ILE 15 2HG2 ILE 15 3.594 5.772 -1.075 94 3HG2 ILE 15 3HG2 ILE 15 4.174 5.288 -2.671 95 1HD1 ILE 15 1HD1 ILE 15 5.842 2.300 -3.311 96 2HD1 ILE 15 2HD1 ILE 15 6.543 3.732 -4.065 97 3HD1 ILE 15 3HD1 ILE 15 4.871 3.759 -3.506 98 H CYS 16 H CYS 16 4.092 3.196 1.541 99 HA CYS 16 HA CYS 16 2.394 5.381 2.490 100 1HB CYS 16 2HB CYS 16 1.968 2.417 2.200 101 2HB CYS 16 1HB CYS 16 0.854 3.436 3.105 102 1HN NH2 17 1H CYS 16 5.006 4.699 3.664 103 2HN NH2 17 2H CYS 16 4.699 4.347 5.326 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 -5.010 7.597 -4.559 2 2H GLY 1 2HT GLY 1 -5.920 7.923 -3.170 3 3H GLY 1 3HT GLY 1 -5.746 6.329 -3.711 4 1HA GLY 1 1HA GLY 1 -3.222 7.598 -3.254 5 2HA GLY 1 2HA GLY 1 -4.221 7.534 -1.808 6 H CYS 2 H CYS 2 -1.731 6.056 -2.583 7 HA CYS 2 HA CYS 2 -2.380 3.361 -3.130 8 1HB CYS 2 2HB CYS 2 -0.143 4.245 -3.513 9 2HB CYS 2 1HB CYS 2 0.056 4.559 -1.794 10 H CYS 3 H CYS 3 -1.607 5.008 -0.076 11 HA CYS 3 HA CYS 3 -1.818 2.835 1.643 12 1HB CYS 3 2HB CYS 3 -2.675 5.573 2.497 13 2HB CYS 3 1HB CYS 3 -1.687 4.393 3.357 14 H SER 4 H SER 4 -4.277 4.692 0.097 15 HA SER 4 HA SER 4 -6.442 4.218 1.826 16 1HB SER 4 2HB SER 4 -6.323 5.857 -0.124 17 2HB SER 4 1HB SER 4 -6.619 4.480 -1.179 18 HG SER 4 HG SER 4 -8.487 4.206 0.482 19 H ASP 5 H ASP 5 -4.967 2.373 -0.749 20 HA ASP 5 HA ASP 5 -6.972 0.260 -0.513 21 1HB ASP 5 2HB ASP 5 -6.288 0.832 -2.782 22 2HB ASP 5 1HB ASP 5 -4.598 0.553 -2.370 23 HA PRO 6 HA PRO 6 -4.486 -1.775 2.545 24 1HB PRO 6 2HB PRO 6 -5.654 -4.268 2.253 25 2HB PRO 6 1HB PRO 6 -6.288 -2.964 3.260 26 1HG PRO 6 2HG PRO 6 -7.091 -3.795 0.506 27 2HG PRO 6 1HG PRO 6 -8.104 -3.249 1.855 28 1HD PRO 6 2HD PRO 6 -7.490 -1.629 -0.199 29 2HD PRO 6 1HD PRO 6 -7.647 -1.013 1.458 30 H ARG 7 H ARG 7 -4.929 -3.203 -0.680 31 HA ARG 7 HA ARG 7 -2.767 -5.038 -0.425 32 1HB ARG 7 2HB ARG 7 -4.186 -3.947 -2.858 33 2HB ARG 7 1HB ARG 7 -2.880 -5.118 -2.960 34 1HG ARG 7 2HG ARG 7 -4.854 -6.367 -3.117 35 2HG ARG 7 1HG ARG 7 -4.288 -6.607 -1.464 36 1HD ARG 7 2HD ARG 7 -6.710 -6.227 -1.562 37 2HD ARG 7 1HD ARG 7 -5.880 -4.965 -0.653 38 HE ARG 7 HE ARG 7 -6.593 -3.431 -2.190 39 1HH1 ARG 7 1HH1 ARG 7 -6.927 -6.622 -3.626 40 2HH1 ARG 7 2HH1 ARG 7 -7.668 -6.020 -5.068 41 1HH2 ARG 7 1HH2 ARG 7 -7.540 -2.650 -4.044 42 2HH2 ARG 7 2HH2 ARG 7 -8.024 -3.737 -5.315 43 H CYS 8 H CYS 8 -3.116 -1.905 -2.044 44 HA CYS 8 HA CYS 8 -0.442 -1.649 -2.888 45 1HB CYS 8 2HB CYS 8 -2.492 -0.246 -3.560 46 2HB CYS 8 1HB CYS 8 -2.199 0.674 -2.089 47 H ASN 9 H ASN 9 -2.079 -0.789 0.108 48 HA ASN 9 HA ASN 9 0.018 0.633 1.344 49 1HB ASN 9 2HB ASN 9 -2.448 0.469 2.056 50 2HB ASN 9 1HB ASN 9 -2.013 -1.065 2.795 51 1HD2 ASN 9 1HD2 ASN 9 -1.567 -0.952 4.860 52 2HD2 ASN 9 2HD2 ASN 9 -0.913 0.411 5.691 53 H TYR 10 H TYR 10 -0.936 -2.771 1.516 54 HA TYR 10 HA TYR 10 1.097 -3.576 3.317 55 1HB TYR 10 2HB TYR 10 -0.995 -4.823 3.020 56 2HB TYR 10 1HB TYR 10 -0.539 -5.210 1.366 57 HD1 TYR 10 1HD TYR 10 1.233 -5.399 4.662 58 HD2 TYR 10 2HD TYR 10 -0.017 -7.437 1.142 59 HE1 TYR 10 1HE TYR 10 2.360 -7.437 5.449 60 HE2 TYR 10 2HE TYR 10 1.105 -9.480 1.921 61 HH TYR 10 HH TYR 10 3.341 -9.724 3.861 62 H ASP 11 H ASP 11 0.966 -3.259 -0.137 63 HA ASP 11 HA ASP 11 3.372 -4.805 -0.597 64 1HB ASP 11 2HB ASP 11 1.455 -4.712 -2.200 65 2HB ASP 11 1HB ASP 11 1.829 -3.029 -2.498 66 H HIS 12 H HIS 12 2.433 -1.464 -0.269 67 HA HIS 12 HA HIS 12 5.246 -0.675 -0.717 68 1HB HIS 12 2HB HIS 12 2.806 1.057 -1.162 69 2HB HIS 12 1HB HIS 12 4.474 1.451 -1.569 70 HD1 HIS 12 1HD HIS 12 1.925 1.195 -3.544 71 HD2 HIS 12 2HD HIS 12 5.020 -1.525 -3.078 72 HE1 HIS 12 1HE HIS 12 1.966 -0.148 -5.665 73 HE2 HIS 12 2HE HIS 12 3.615 -1.992 -5.178 74 HA PRO 13 HA PRO 13 3.887 0.472 3.688 75 1HB PRO 13 2HB PRO 13 6.333 -0.973 4.455 76 2HB PRO 13 1HB PRO 13 4.695 -1.127 5.095 77 1HG PRO 13 2HG PRO 13 5.803 -3.045 3.578 78 2HG PRO 13 1HG PRO 13 4.072 -2.670 3.497 79 1HD PRO 13 2HD PRO 13 6.278 -1.859 1.637 80 2HD PRO 13 1HD PRO 13 4.634 -2.419 1.258 81 H GLU 14 H GLU 14 6.872 0.399 1.906 82 HA GLU 14 HA GLU 14 8.394 2.208 3.423 83 1HB GLU 14 2HB GLU 14 9.615 2.528 1.204 84 2HB GLU 14 1HB GLU 14 9.535 0.885 1.828 85 1HG GLU 14 2HG GLU 14 7.679 0.397 0.318 86 2HG GLU 14 1HG GLU 14 7.749 2.044 -0.302 87 H ILE 15 H ILE 15 6.234 2.672 0.664 88 HA ILE 15 HA ILE 15 6.603 5.500 0.530 89 HB ILE 15 HB ILE 15 4.367 3.822 -0.627 90 1HG1 ILE 15 2HG1 ILE 15 6.948 4.748 -1.912 91 2HG1 ILE 15 1HG1 ILE 15 6.625 3.104 -1.371 92 1HG2 ILE 15 1HG2 ILE 15 4.863 6.657 -0.591 93 2HG2 ILE 15 2HG2 ILE 15 3.473 5.769 -1.218 94 3HG2 ILE 15 3HG2 ILE 15 4.881 6.043 -2.245 95 1HD1 ILE 15 1HD1 ILE 15 6.366 3.450 -3.811 96 2HD1 ILE 15 2HD1 ILE 15 5.017 4.537 -3.472 97 3HD1 ILE 15 3HD1 ILE 15 4.915 2.834 -3.018 98 H CYS 16 H CYS 16 4.055 3.366 1.759 99 HA CYS 16 HA CYS 16 2.654 5.633 2.929 100 1HB CYS 16 2HB CYS 16 2.003 2.696 2.734 101 2HB CYS 16 1HB CYS 16 1.006 3.847 3.618 102 1HN NH2 17 1H CYS 16 5.095 5.407 4.062 103 2HN NH2 17 2H CYS 16 4.972 4.809 5.676 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 -5.780 6.430 -3.864 2 2H GLY 1 2HT GLY 1 -5.040 7.684 -4.726 3 3H GLY 1 3HT GLY 1 -5.953 8.032 -3.346 4 1HA GLY 1 1HA GLY 1 -3.254 7.696 -3.422 5 2HA GLY 1 2HA GLY 1 -4.257 7.667 -1.976 6 H CYS 2 H CYS 2 -1.772 6.163 -2.715 7 HA CYS 2 HA CYS 2 -2.423 3.460 -3.212 8 1HB CYS 2 2HB CYS 2 -0.187 4.266 -3.614 9 2HB CYS 2 1HB CYS 2 -0.001 4.738 -1.930 10 H CYS 3 H CYS 3 -1.718 5.175 -0.186 11 HA CYS 3 HA CYS 3 -1.940 3.009 1.555 12 1HB CYS 3 2HB CYS 3 -2.692 5.814 2.322 13 2HB CYS 3 1HB CYS 3 -1.866 4.591 3.283 14 H SER 4 H SER 4 -4.368 4.726 -0.119 15 HA SER 4 HA SER 4 -6.546 4.405 1.648 16 1HB SER 4 2HB SER 4 -6.418 5.894 -0.421 17 2HB SER 4 1HB SER 4 -6.706 4.442 -1.371 18 HG SER 4 HG SER 4 -8.593 4.266 0.252 19 H ASP 5 H ASP 5 -5.005 2.377 -0.721 20 HA ASP 5 HA ASP 5 -6.992 0.258 -0.295 21 1HB ASP 5 2HB ASP 5 -6.637 0.549 -2.609 22 2HB ASP 5 1HB ASP 5 -4.895 0.713 -2.410 23 HA PRO 6 HA PRO 6 -4.267 -1.588 2.680 24 1HB PRO 6 2HB PRO 6 -5.444 -4.092 2.591 25 2HB PRO 6 1HB PRO 6 -6.010 -2.742 3.581 26 1HG PRO 6 2HG PRO 6 -7.005 -3.700 0.933 27 2HG PRO 6 1HG PRO 6 -7.921 -3.097 2.327 28 1HD PRO 6 2HD PRO 6 -7.470 -1.567 0.165 29 2HD PRO 6 1HD PRO 6 -7.501 -0.880 1.802 30 H ARG 7 H ARG 7 -4.942 -3.035 -0.466 31 HA ARG 7 HA ARG 7 -2.877 -4.982 -0.399 32 1HB ARG 7 2HB ARG 7 -4.021 -3.614 -2.840 33 2HB ARG 7 1HB ARG 7 -3.211 -5.173 -2.785 34 1HG ARG 7 2HG ARG 7 -5.025 -6.203 -1.718 35 2HG ARG 7 1HG ARG 7 -5.758 -4.653 -1.290 36 1HD ARG 7 2HD ARG 7 -6.147 -4.195 -3.666 37 2HD ARG 7 1HD ARG 7 -5.436 -5.753 -4.080 38 HE ARG 7 HE ARG 7 -7.491 -6.257 -2.293 39 1HH1 ARG 7 1HH1 ARG 7 -7.139 -4.861 -5.469 40 2HH1 ARG 7 2HH1 ARG 7 -8.698 -5.374 -6.021 41 1HH2 ARG 7 1HH2 ARG 7 -9.562 -6.949 -3.001 42 2HH2 ARG 7 2HH2 ARG 7 -10.085 -6.569 -4.608 43 H CYS 8 H CYS 8 -3.094 -1.801 -1.943 44 HA CYS 8 HA CYS 8 -0.433 -1.635 -2.828 45 1HB CYS 8 2HB CYS 8 -2.437 -0.160 -3.457 46 2HB CYS 8 1HB CYS 8 -2.108 0.732 -1.978 47 H ASN 9 H ASN 9 -1.958 -0.809 0.234 48 HA ASN 9 HA ASN 9 0.246 0.531 1.409 49 1HB ASN 9 2HB ASN 9 -2.183 0.542 2.192 50 2HB ASN 9 1HB ASN 9 -1.874 -1.042 2.881 51 1HD2 ASN 9 1HD2 ASN 9 1.000 0.353 3.273 52 2HD2 ASN 9 2HD2 ASN 9 0.777 1.119 4.809 53 H TYR 10 H TYR 10 -0.858 -2.833 1.523 54 HA TYR 10 HA TYR 10 1.188 -3.768 3.257 55 1HB TYR 10 2HB TYR 10 -0.993 -4.907 2.920 56 2HB TYR 10 1HB TYR 10 -0.498 -5.326 1.284 57 HD1 TYR 10 1HD TYR 10 -0.101 -7.589 1.133 58 HD2 TYR 10 2HD TYR 10 1.219 -5.516 4.606 59 HE1 TYR 10 1HE TYR 10 0.923 -9.661 1.973 60 HE2 TYR 10 2HE TYR 10 2.248 -7.581 5.455 61 HH TYR 10 HH TYR 10 3.165 -9.888 4.063 62 H ASP 11 H ASP 11 0.998 -3.231 -0.146 63 HA ASP 11 HA ASP 11 3.297 -4.869 -0.814 64 1HB ASP 11 2HB ASP 11 1.386 -4.552 -2.371 65 2HB ASP 11 1HB ASP 11 1.752 -2.841 -2.458 66 H HIS 12 H HIS 12 2.516 -1.477 -0.344 67 HA HIS 12 HA HIS 12 5.366 -0.797 -0.706 68 1HB HIS 12 2HB HIS 12 3.002 1.062 -1.044 69 2HB HIS 12 1HB HIS 12 4.682 1.387 -1.468 70 HD1 HIS 12 1HD HIS 12 2.050 1.284 -3.383 71 HD2 HIS 12 2HD HIS 12 5.094 -1.519 -3.111 72 HE1 HIS 12 1HE HIS 12 1.972 -0.004 -5.535 73 HE2 HIS 12 2HE HIS 12 3.587 -1.903 -5.161 74 HA PRO 13 HA PRO 13 4.356 -0.017 3.757 75 1HB PRO 13 2HB PRO 13 6.704 -0.975 4.720 76 2HB PRO 13 1HB PRO 13 5.305 -2.005 4.394 77 1HG PRO 13 2HG PRO 13 7.748 -1.541 2.729 78 2HG PRO 13 1HG PRO 13 6.889 -3.058 3.062 79 1HD PRO 13 2HD PRO 13 6.587 -1.670 0.750 80 2HD PRO 13 1HD PRO 13 5.289 -2.648 1.463 81 H GLU 14 H GLU 14 7.224 0.658 1.823 82 HA GLU 14 HA GLU 14 8.296 2.614 3.595 83 1HB GLU 14 2HB GLU 14 9.849 3.157 1.827 84 2HB GLU 14 1HB GLU 14 9.675 1.412 1.917 85 1HG GLU 14 2HG GLU 14 8.361 3.216 -0.106 86 2HG GLU 14 1HG GLU 14 9.767 2.198 -0.390 87 H ILE 15 H ILE 15 6.310 2.795 0.664 88 HA ILE 15 HA ILE 15 6.194 5.645 0.643 89 HB ILE 15 HB ILE 15 4.341 3.655 -0.683 90 1HG1 ILE 15 2HG1 ILE 15 6.740 5.123 -1.804 91 2HG1 ILE 15 1HG1 ILE 15 6.725 3.424 -1.345 92 1HG2 ILE 15 1HG2 ILE 15 3.643 6.135 -0.354 93 2HG2 ILE 15 2HG2 ILE 15 3.449 5.380 -1.936 94 3HG2 ILE 15 3HG2 ILE 15 4.819 6.446 -1.630 95 1HD1 ILE 15 1HD1 ILE 15 5.116 2.932 -3.068 96 2HD1 ILE 15 2HD1 ILE 15 6.498 3.776 -3.767 97 3HD1 ILE 15 3HD1 ILE 15 4.988 4.641 -3.479 98 H CYS 16 H CYS 16 4.001 3.092 1.754 99 HA CYS 16 HA CYS 16 2.386 5.157 3.084 100 1HB CYS 16 2HB CYS 16 1.708 2.359 2.196 101 2HB CYS 16 1HB CYS 16 0.665 3.308 3.254 102 1HN NH2 17 1H CYS 16 4.602 4.799 4.404 103 2HN NH2 17 2H CYS 16 4.400 3.804 5.801 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 -4.966 7.828 -4.634 2 2H GLY 1 2HT GLY 1 -5.868 8.206 -3.254 3 3H GLY 1 3HT GLY 1 -5.759 6.601 -3.777 4 1HA GLY 1 1HA GLY 1 -3.190 7.792 -3.307 5 2HA GLY 1 2HA GLY 1 -4.205 7.743 -1.869 6 H CYS 2 H CYS 2 -1.745 6.199 -2.674 7 HA CYS 2 HA CYS 2 -2.458 3.524 -3.225 8 1HB CYS 2 2HB CYS 2 -0.205 4.282 -3.618 9 2HB CYS 2 1HB CYS 2 -0.005 4.721 -1.928 10 H CYS 3 H CYS 3 -1.718 5.161 -0.162 11 HA CYS 3 HA CYS 3 -1.950 2.968 1.536 12 1HB CYS 3 2HB CYS 3 -2.722 5.749 2.366 13 2HB CYS 3 1HB CYS 3 -1.883 4.510 3.293 14 H SER 4 H SER 4 -4.380 4.722 -0.106 15 HA SER 4 HA SER 4 -6.560 4.334 1.646 16 1HB SER 4 2HB SER 4 -6.426 5.884 -0.389 17 2HB SER 4 1HB SER 4 -6.742 4.456 -1.367 18 HG SER 4 HG SER 4 -8.603 4.268 0.292 19 H ASP 5 H ASP 5 -5.011 2.390 -0.792 20 HA ASP 5 HA ASP 5 -6.987 0.253 -0.455 21 1HB ASP 5 2HB ASP 5 -6.452 0.776 -2.764 22 2HB ASP 5 1HB ASP 5 -4.730 0.604 -2.445 23 HA PRO 6 HA PRO 6 -4.380 -1.602 2.621 24 1HB PRO 6 2HB PRO 6 -5.533 -4.110 2.490 25 2HB PRO 6 1HB PRO 6 -6.165 -2.756 3.429 26 1HG PRO 6 2HG PRO 6 -6.991 -3.739 0.729 27 2HG PRO 6 1HG PRO 6 -7.997 -3.157 2.070 28 1HD PRO 6 2HD PRO 6 -7.455 -1.608 -0.052 29 2HD PRO 6 1HD PRO 6 -7.574 -0.929 1.585 30 H ARG 7 H ARG 7 -4.894 -3.169 -0.508 31 HA ARG 7 HA ARG 7 -2.751 -5.024 -0.290 32 1HB ARG 7 2HB ARG 7 -3.912 -3.839 -2.817 33 2HB ARG 7 1HB ARG 7 -3.017 -5.345 -2.674 34 1HG ARG 7 2HG ARG 7 -4.794 -6.447 -1.654 35 2HG ARG 7 1HG ARG 7 -5.597 -4.937 -1.210 36 1HD ARG 7 2HD ARG 7 -6.731 -6.064 -3.079 37 2HD ARG 7 1HD ARG 7 -6.097 -4.487 -3.546 38 HE ARG 7 HE ARG 7 -4.240 -6.560 -4.133 39 1HH1 ARG 7 1HH1 ARG 7 -7.188 -5.034 -5.258 40 2HH1 ARG 7 2HH1 ARG 7 -6.973 -5.516 -6.910 41 1HH2 ARG 7 1HH2 ARG 7 -3.933 -7.216 -6.313 42 2HH2 ARG 7 2HH2 ARG 7 -5.105 -6.774 -7.513 43 H CYS 8 H CYS 8 -3.112 -1.865 -1.824 44 HA CYS 8 HA CYS 8 -0.471 -1.614 -2.788 45 1HB CYS 8 2HB CYS 8 -2.556 -0.193 -3.346 46 2HB CYS 8 1HB CYS 8 -2.169 0.716 -1.891 47 H ASN 9 H ASN 9 -1.988 -0.823 0.284 48 HA ASN 9 HA ASN 9 0.192 0.561 1.447 49 1HB ASN 9 2HB ASN 9 -2.243 0.516 2.230 50 2HB ASN 9 1HB ASN 9 -1.883 -1.049 2.939 51 1HD2 ASN 9 1HD2 ASN 9 0.951 0.387 3.327 52 2HD2 ASN 9 2HD2 ASN 9 0.711 1.181 4.845 53 H TYR 10 H TYR 10 -0.839 -2.827 1.570 54 HA TYR 10 HA TYR 10 1.225 -3.700 3.319 55 1HB TYR 10 2HB TYR 10 -0.916 -4.895 3.042 56 2HB TYR 10 1HB TYR 10 -0.475 -5.292 1.385 57 HD1 TYR 10 1HD TYR 10 1.354 -5.496 4.648 58 HD2 TYR 10 2HD TYR 10 -0.041 -7.546 1.191 59 HE1 TYR 10 1HE TYR 10 2.442 -7.554 5.437 60 HE2 TYR 10 2HE TYR 10 1.043 -9.610 1.970 61 HH TYR 10 HH TYR 10 3.354 -9.825 3.969 62 H ASP 11 H ASP 11 1.014 -3.287 -0.114 63 HA ASP 11 HA ASP 11 3.364 -4.879 -0.705 64 1HB ASP 11 2HB ASP 11 1.405 -4.703 -2.241 65 2HB ASP 11 1HB ASP 11 1.771 -3.008 -2.475 66 H HIS 12 H HIS 12 2.500 -1.543 -0.239 67 HA HIS 12 HA HIS 12 5.303 -0.757 -0.740 68 1HB HIS 12 2HB HIS 12 2.854 1.003 -1.005 69 2HB HIS 12 1HB HIS 12 4.509 1.424 -1.443 70 HD1 HIS 12 1HD HIS 12 1.934 1.289 -3.374 71 HD2 HIS 12 2HD HIS 12 4.981 -1.507 -3.091 72 HE1 HIS 12 1HE HIS 12 1.888 0.022 -5.539 73 HE2 HIS 12 2HE HIS 12 3.516 -1.865 -5.170 74 HA PRO 13 HA PRO 13 4.367 -0.019 3.760 75 1HB PRO 13 2HB PRO 13 6.732 -0.988 4.679 76 2HB PRO 13 1HB PRO 13 5.318 -2.007 4.389 77 1HG PRO 13 2HG PRO 13 7.732 -1.578 2.676 78 2HG PRO 13 1HG PRO 13 6.858 -3.082 3.026 79 1HD PRO 13 2HD PRO 13 6.535 -1.690 0.717 80 2HD PRO 13 1HD PRO 13 5.240 -2.655 1.450 81 H GLU 14 H GLU 14 7.182 0.656 1.758 82 HA GLU 14 HA GLU 14 8.306 2.597 3.520 83 1HB GLU 14 2HB GLU 14 9.834 3.124 1.729 84 2HB GLU 14 1HB GLU 14 9.646 1.381 1.823 85 1HG GLU 14 2HG GLU 14 8.331 3.197 -0.190 86 2HG GLU 14 1HG GLU 14 9.713 2.150 -0.486 87 H ILE 15 H ILE 15 6.286 2.803 0.606 88 HA ILE 15 HA ILE 15 6.185 5.656 0.603 89 HB ILE 15 HB ILE 15 4.288 3.700 -0.715 90 1HG1 ILE 15 2HG1 ILE 15 6.733 5.089 -1.839 91 2HG1 ILE 15 1HG1 ILE 15 6.646 3.386 -1.404 92 1HG2 ILE 15 1HG2 ILE 15 3.941 6.382 -0.378 93 2HG2 ILE 15 2HG2 ILE 15 3.242 5.428 -1.689 94 3HG2 ILE 15 3HG2 ILE 15 4.748 6.313 -1.946 95 1HD1 ILE 15 1HD1 ILE 15 6.402 4.006 -3.861 96 2HD1 ILE 15 2HD1 ILE 15 4.791 4.581 -3.428 97 3HD1 ILE 15 3HD1 ILE 15 5.220 2.888 -3.180 98 H CYS 16 H CYS 16 4.019 3.100 1.742 99 HA CYS 16 HA CYS 16 2.407 5.158 3.089 100 1HB CYS 16 2HB CYS 16 1.729 2.362 2.197 101 2HB CYS 16 1HB CYS 16 0.695 3.299 3.270 102 1HN NH2 17 1H CYS 16 4.700 4.722 4.334 103 2HN NH2 17 2H CYS 16 4.494 3.753 5.750 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 -4.567 8.993 -3.590 2 2H GLY 1 2HT GLY 1 -5.004 9.317 -1.989 3 3H GLY 1 3HT GLY 1 -5.512 7.884 -2.730 4 1HA GLY 1 1HA GLY 1 -2.656 8.238 -2.748 5 2HA GLY 1 2HA GLY 1 -3.350 8.109 -1.136 6 H CYS 2 H CYS 2 -1.660 6.236 -2.793 7 HA CYS 2 HA CYS 2 -3.252 4.032 -3.582 8 1HB CYS 2 2HB CYS 2 -0.714 4.653 -4.033 9 2HB CYS 2 1HB CYS 2 -0.450 3.621 -2.640 10 H CYS 3 H CYS 3 -1.886 5.031 -0.549 11 HA CYS 3 HA CYS 3 -1.939 2.691 0.934 12 1HB CYS 3 2HB CYS 3 -2.631 5.380 2.089 13 2HB CYS 3 1HB CYS 3 -1.686 4.077 2.811 14 H SER 4 H SER 4 -4.544 4.508 -0.300 15 HA SER 4 HA SER 4 -6.545 4.017 1.615 16 1HB SER 4 2HB SER 4 -6.648 5.578 -0.414 17 2HB SER 4 1HB SER 4 -6.992 4.142 -1.373 18 HG SER 4 HG SER 4 -8.720 3.842 0.359 19 H ASP 5 H ASP 5 -5.133 2.152 -0.952 20 HA ASP 5 HA ASP 5 -7.011 -0.053 -0.583 21 1HB ASP 5 2HB ASP 5 -6.488 0.204 -2.863 22 2HB ASP 5 1HB ASP 5 -4.782 0.494 -2.533 23 HA PRO 6 HA PRO 6 -4.472 -1.767 2.614 24 1HB PRO 6 2HB PRO 6 -5.521 -4.327 2.433 25 2HB PRO 6 1HB PRO 6 -6.218 -3.011 3.380 26 1HG PRO 6 2HG PRO 6 -6.974 -4.003 0.669 27 2HG PRO 6 1HG PRO 6 -8.013 -3.430 1.988 28 1HD PRO 6 2HD PRO 6 -7.458 -1.893 -0.145 29 2HD PRO 6 1HD PRO 6 -7.642 -1.201 1.479 30 H ARG 7 H ARG 7 -4.816 -3.309 -0.563 31 HA ARG 7 HA ARG 7 -2.624 -5.076 -0.219 32 1HB ARG 7 2HB ARG 7 -4.290 -5.505 -1.950 33 2HB ARG 7 1HB ARG 7 -3.842 -4.017 -2.774 34 1HG ARG 7 2HG ARG 7 -2.861 -5.970 -3.861 35 2HG ARG 7 1HG ARG 7 -1.614 -4.907 -3.205 36 1HD ARG 7 2HD ARG 7 -2.108 -6.608 -1.113 37 2HD ARG 7 1HD ARG 7 -2.295 -7.665 -2.509 38 HE ARG 7 HE ARG 7 0.064 -6.198 -2.848 39 1HH1 ARG 7 1HH1 ARG 7 -1.237 -8.667 -0.738 40 2HH1 ARG 7 2HH1 ARG 7 0.310 -9.336 -0.348 41 1HH2 ARG 7 1HH2 ARG 7 2.130 -7.066 -2.337 42 2HH2 ARG 7 2HH2 ARG 7 2.223 -8.429 -1.257 43 H CYS 8 H CYS 8 -2.908 -1.975 -1.946 44 HA CYS 8 HA CYS 8 -0.189 -1.765 -2.641 45 1HB CYS 8 2HB CYS 8 -2.113 -0.356 -3.534 46 2HB CYS 8 1HB CYS 8 -1.987 0.595 -2.056 47 H ASN 9 H ASN 9 -1.947 -0.864 0.259 48 HA ASN 9 HA ASN 9 0.094 0.640 1.510 49 1HB ASN 9 2HB ASN 9 -2.409 0.427 2.145 50 2HB ASN 9 1HB ASN 9 -1.931 -1.044 2.982 51 1HD2 ASN 9 1HD2 ASN 9 -1.417 -0.832 5.033 52 2HD2 ASN 9 2HD2 ASN 9 -0.889 0.619 5.802 53 H TYR 10 H TYR 10 -0.856 -2.752 1.770 54 HA TYR 10 HA TYR 10 1.245 -3.488 3.559 55 1HB TYR 10 2HB TYR 10 -0.877 -4.695 3.497 56 2HB TYR 10 1HB TYR 10 -0.592 -5.156 1.822 57 HD1 TYR 10 1HD TYR 10 -0.128 -7.393 1.609 58 HD2 TYR 10 2HD TYR 10 1.426 -5.315 4.980 59 HE1 TYR 10 1HE TYR 10 0.981 -9.454 2.359 60 HE2 TYR 10 2HE TYR 10 2.541 -7.371 5.740 61 HH TYR 10 HH TYR 10 3.076 -9.478 5.213 62 H ASP 11 H ASP 11 0.964 -3.189 0.149 63 HA ASP 11 HA ASP 11 3.195 -4.928 -0.474 64 1HB ASP 11 2HB ASP 11 1.097 -4.470 -1.917 65 2HB ASP 11 1HB ASP 11 1.891 -2.968 -2.354 66 H HIS 12 H HIS 12 2.543 -1.480 -0.158 67 HA HIS 12 HA HIS 12 5.421 -0.979 -0.607 68 1HB HIS 12 2HB HIS 12 3.197 0.966 -1.256 69 2HB HIS 12 1HB HIS 12 4.901 1.115 -1.669 70 HD1 HIS 12 1HD HIS 12 2.284 0.983 -3.617 71 HD2 HIS 12 2HD HIS 12 5.135 -1.964 -2.989 72 HE1 HIS 12 1HE HIS 12 2.156 -0.515 -5.624 73 HE2 HIS 12 2HE HIS 12 3.671 -2.445 -5.046 74 HA PRO 13 HA PRO 13 4.038 0.487 3.680 75 1HB PRO 13 2HB PRO 13 6.535 -0.879 4.466 76 2HB PRO 13 1HB PRO 13 4.924 -0.988 5.181 77 1HG PRO 13 2HG PRO 13 5.954 -3.009 3.762 78 2HG PRO 13 1HG PRO 13 4.226 -2.612 3.687 79 1HD PRO 13 2HD PRO 13 6.408 -1.964 1.737 80 2HD PRO 13 1HD PRO 13 4.747 -2.514 1.427 81 H GLU 14 H GLU 14 6.922 0.468 1.789 82 HA GLU 14 HA GLU 14 8.533 2.293 3.166 83 1HB GLU 14 2HB GLU 14 9.480 2.687 0.810 84 2HB GLU 14 1HB GLU 14 9.542 1.044 1.440 85 1HG GLU 14 2HG GLU 14 7.513 0.495 0.174 86 2HG GLU 14 1HG GLU 14 7.487 2.131 -0.476 87 H ILE 15 H ILE 15 6.164 2.789 0.579 88 HA ILE 15 HA ILE 15 6.407 5.666 0.715 89 HB ILE 15 HB ILE 15 4.403 3.998 -0.820 90 1HG1 ILE 15 2HG1 ILE 15 7.022 5.178 -1.780 91 2HG1 ILE 15 1HG1 ILE 15 6.765 3.476 -1.412 92 1HG2 ILE 15 1HG2 ILE 15 3.554 6.167 -0.747 93 2HG2 ILE 15 2HG2 ILE 15 4.433 6.117 -2.275 94 3HG2 ILE 15 3HG2 ILE 15 5.154 6.901 -0.869 95 1HD1 ILE 15 1HD1 ILE 15 6.440 4.712 -3.861 96 2HD1 ILE 15 2HD1 ILE 15 4.794 4.471 -3.275 97 3HD1 ILE 15 3HD1 ILE 15 5.892 3.096 -3.413 98 H CYS 16 H CYS 16 3.966 3.207 1.410 99 HA CYS 16 HA CYS 16 2.258 5.164 2.715 100 1HB CYS 16 2HB CYS 16 1.920 2.243 2.048 101 2HB CYS 16 1HB CYS 16 0.737 3.159 2.981 102 1HN NH2 17 1H CYS 16 4.318 5.282 4.200 103 2HN NH2 17 2H CYS 16 4.220 4.334 5.640 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 -4.501 9.018 -3.539 2 2H GLY 1 2HT GLY 1 -4.979 9.327 -1.947 3 3H GLY 1 3HT GLY 1 -5.468 7.899 -2.714 4 1HA GLY 1 1HA GLY 1 -2.611 8.258 -2.650 5 2HA GLY 1 2HA GLY 1 -3.352 8.105 -1.061 6 H CYS 2 H CYS 2 -1.612 6.257 -2.693 7 HA CYS 2 HA CYS 2 -3.183 4.061 -3.554 8 1HB CYS 2 2HB CYS 2 -0.631 4.699 -3.935 9 2HB CYS 2 1HB CYS 2 -0.401 3.636 -2.560 10 H CYS 3 H CYS 3 -1.885 5.031 -0.486 11 HA CYS 3 HA CYS 3 -1.963 2.679 0.977 12 1HB CYS 3 2HB CYS 3 -2.674 5.358 2.139 13 2HB CYS 3 1HB CYS 3 -1.745 4.048 2.869 14 H SER 4 H SER 4 -4.545 4.510 -0.290 15 HA SER 4 HA SER 4 -6.582 4.010 1.584 16 1HB SER 4 2HB SER 4 -6.644 5.575 -0.447 17 2HB SER 4 1HB SER 4 -6.979 4.141 -1.411 18 HG SER 4 HG SER 4 -8.727 3.854 0.312 19 H ASP 5 H ASP 5 -5.122 2.155 -0.961 20 HA ASP 5 HA ASP 5 -6.996 -0.058 -0.620 21 1HB ASP 5 2HB ASP 5 -6.479 0.209 -2.896 22 2HB ASP 5 1HB ASP 5 -4.781 0.535 -2.569 23 HA PRO 6 HA PRO 6 -4.444 -1.770 2.574 24 1HB PRO 6 2HB PRO 6 -5.485 -4.335 2.380 25 2HB PRO 6 1HB PRO 6 -6.180 -3.026 3.339 26 1HG PRO 6 2HG PRO 6 -6.948 -4.008 0.628 27 2HG PRO 6 1HG PRO 6 -7.981 -3.440 1.953 28 1HD PRO 6 2HD PRO 6 -7.435 -1.897 -0.179 29 2HD PRO 6 1HD PRO 6 -7.617 -1.210 1.448 30 H ARG 7 H ARG 7 -4.801 -3.300 -0.600 31 HA ARG 7 HA ARG 7 -2.619 -5.077 -0.319 32 1HB ARG 7 2HB ARG 7 -4.169 -5.560 -2.055 33 2HB ARG 7 1HB ARG 7 -4.010 -3.949 -2.743 34 1HG ARG 7 2HG ARG 7 -2.873 -5.630 -4.099 35 2HG ARG 7 1HG ARG 7 -1.737 -4.448 -3.446 36 1HD ARG 7 2HD ARG 7 -1.385 -6.147 -1.546 37 2HD ARG 7 1HD ARG 7 -2.168 -7.303 -2.624 38 HE ARG 7 HE ARG 7 0.510 -6.347 -2.787 39 1HH1 ARG 7 1HH1 ARG 7 -2.169 -7.414 -4.789 40 2HH1 ARG 7 2HH1 ARG 7 -1.155 -7.849 -6.122 41 1HH2 ARG 7 1HH2 ARG 7 1.836 -6.895 -4.507 42 2HH2 ARG 7 2HH2 ARG 7 1.142 -7.560 -5.965 43 H CYS 8 H CYS 8 -2.862 -1.951 -2.012 44 HA CYS 8 HA CYS 8 -0.132 -1.744 -2.651 45 1HB CYS 8 2HB CYS 8 -2.031 -0.326 -3.573 46 2HB CYS 8 1HB CYS 8 -1.942 0.613 -2.085 47 H ASN 9 H ASN 9 -1.935 -0.859 0.226 48 HA ASN 9 HA ASN 9 0.089 0.641 1.514 49 1HB ASN 9 2HB ASN 9 -2.416 0.462 2.105 50 2HB ASN 9 1HB ASN 9 -1.990 -1.032 2.928 51 1HD2 ASN 9 1HD2 ASN 9 -1.507 -0.870 4.991 52 2HD2 ASN 9 2HD2 ASN 9 -0.976 0.558 5.800 53 H TYR 10 H TYR 10 -0.884 -2.748 1.797 54 HA TYR 10 HA TYR 10 1.174 -3.465 3.636 55 1HB TYR 10 2HB TYR 10 -0.981 -4.653 3.479 56 2HB TYR 10 1HB TYR 10 -0.563 -5.197 1.860 57 HD1 TYR 10 1HD TYR 10 -0.137 -7.459 1.844 58 HD2 TYR 10 2HD TYR 10 1.273 -5.148 5.126 59 HE1 TYR 10 1HE TYR 10 0.922 -9.464 2.791 60 HE2 TYR 10 2HE TYR 10 2.339 -7.147 6.083 61 HH TYR 10 HH TYR 10 3.222 -9.554 4.796 62 H ASP 11 H ASP 11 0.957 -3.277 0.201 63 HA ASP 11 HA ASP 11 3.234 -4.993 -0.308 64 1HB ASP 11 2HB ASP 11 1.150 -4.656 -1.790 65 2HB ASP 11 1HB ASP 11 1.891 -3.147 -2.278 66 H HIS 12 H HIS 12 2.523 -1.543 -0.128 67 HA HIS 12 HA HIS 12 5.396 -1.027 -0.578 68 1HB HIS 12 2HB HIS 12 3.143 0.864 -1.288 69 2HB HIS 12 1HB HIS 12 4.852 1.055 -1.666 70 HD1 HIS 12 1HD HIS 12 2.312 0.823 -3.689 71 HD2 HIS 12 2HD HIS 12 5.178 -2.067 -2.884 72 HE1 HIS 12 1HE HIS 12 2.285 -0.724 -5.666 73 HE2 HIS 12 2HE HIS 12 3.855 -2.589 -5.020 74 HA PRO 13 HA PRO 13 4.059 0.560 3.672 75 1HB PRO 13 2HB PRO 13 6.542 -0.807 4.494 76 2HB PRO 13 1HB PRO 13 4.926 -0.898 5.202 77 1HG PRO 13 2HG PRO 13 5.967 -2.951 3.831 78 2HG PRO 13 1HG PRO 13 4.238 -2.560 3.749 79 1HD PRO 13 2HD PRO 13 6.417 -1.943 1.785 80 2HD PRO 13 1HD PRO 13 4.762 -2.516 1.486 81 H GLU 14 H GLU 14 6.832 0.492 1.673 82 HA GLU 14 HA GLU 14 8.571 2.279 2.940 83 1HB GLU 14 2HB GLU 14 9.361 2.659 0.524 84 2HB GLU 14 1HB GLU 14 9.418 1.008 1.136 85 1HG GLU 14 2HG GLU 14 7.306 0.515 0.012 86 2HG GLU 14 1HG GLU 14 7.242 2.165 -0.594 87 H ILE 15 H ILE 15 6.046 2.822 0.512 88 HA ILE 15 HA ILE 15 6.321 5.703 0.679 89 HB ILE 15 HB ILE 15 4.232 4.091 -0.802 90 1HG1 ILE 15 2HG1 ILE 15 6.841 5.211 -1.851 91 2HG1 ILE 15 1HG1 ILE 15 6.545 3.512 -1.509 92 1HG2 ILE 15 1HG2 ILE 15 3.991 6.126 -2.160 93 2HG2 ILE 15 2HG2 ILE 15 5.156 6.945 -1.118 94 3HG2 ILE 15 3HG2 ILE 15 3.609 6.412 -0.462 95 1HD1 ILE 15 1HD1 ILE 15 5.425 3.198 -3.418 96 2HD1 ILE 15 2HD1 ILE 15 6.252 4.668 -3.932 97 3HD1 ILE 15 3HD1 ILE 15 4.602 4.753 -3.315 98 H CYS 16 H CYS 16 3.909 3.227 1.397 99 HA CYS 16 HA CYS 16 2.238 5.139 2.807 100 1HB CYS 16 2HB CYS 16 1.898 2.222 2.117 101 2HB CYS 16 1HB CYS 16 0.728 3.140 3.061 102 1HN NH2 17 1H CYS 16 4.327 5.258 4.235 103 2HN NH2 17 2H CYS 16 4.291 4.272 5.654 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 -5.513 6.635 -3.796 2 2H GLY 1 2HT GLY 1 -4.668 7.829 -4.648 3 3H GLY 1 3HT GLY 1 -5.591 8.249 -3.294 4 1HA GLY 1 1HA GLY 1 -2.924 7.753 -3.284 5 2HA GLY 1 2HA GLY 1 -3.970 7.765 -1.870 6 H CYS 2 H CYS 2 -1.547 6.130 -2.597 7 HA CYS 2 HA CYS 2 -2.332 3.474 -3.122 8 1HB CYS 2 2HB CYS 2 -0.043 4.206 -3.454 9 2HB CYS 2 1HB CYS 2 0.126 4.571 -1.743 10 H CYS 3 H CYS 3 -1.693 5.171 -0.079 11 HA CYS 3 HA CYS 3 -1.961 3.045 1.685 12 1HB CYS 3 2HB CYS 3 -2.869 5.821 2.375 13 2HB CYS 3 1HB CYS 3 -2.009 4.655 3.378 14 H SER 4 H SER 4 -4.372 4.762 -0.065 15 HA SER 4 HA SER 4 -6.608 4.311 1.591 16 1HB SER 4 2HB SER 4 -6.415 5.866 -0.436 17 2HB SER 4 1HB SER 4 -6.677 4.434 -1.425 18 HG SER 4 HG SER 4 -8.602 4.201 0.122 19 H ASP 5 H ASP 5 -4.924 2.390 -0.777 20 HA ASP 5 HA ASP 5 -6.894 0.236 -0.542 21 1HB ASP 5 2HB ASP 5 -6.134 0.882 -2.816 22 2HB ASP 5 1HB ASP 5 -4.486 0.457 -2.368 23 HA PRO 6 HA PRO 6 -4.378 -1.580 2.643 24 1HB PRO 6 2HB PRO 6 -5.558 -4.078 2.512 25 2HB PRO 6 1HB PRO 6 -6.180 -2.711 3.441 26 1HG PRO 6 2HG PRO 6 -7.004 -3.708 0.748 27 2HG PRO 6 1HG PRO 6 -8.007 -3.080 2.069 28 1HD PRO 6 2HD PRO 6 -7.403 -1.589 -0.085 29 2HD PRO 6 1HD PRO 6 -7.547 -0.872 1.534 30 H ARG 7 H ARG 7 -4.877 -3.229 -0.468 31 HA ARG 7 HA ARG 7 -2.700 -5.034 -0.133 32 1HB ARG 7 2HB ARG 7 -4.093 -4.096 -2.650 33 2HB ARG 7 1HB ARG 7 -2.863 -5.348 -2.615 34 1HG ARG 7 2HG ARG 7 -4.883 -6.509 -2.685 35 2HG ARG 7 1HG ARG 7 -4.402 -6.576 -0.989 36 1HD ARG 7 2HD ARG 7 -6.794 -6.070 -1.266 37 2HD ARG 7 1HD ARG 7 -5.923 -4.769 -0.453 38 HE ARG 7 HE ARG 7 -6.321 -3.383 -2.247 39 1HH1 ARG 7 1HH1 ARG 7 -7.250 -6.662 -3.102 40 2HH1 ARG 7 2HH1 ARG 7 -7.975 -6.194 -4.602 41 1HH2 ARG 7 1HH2 ARG 7 -7.256 -2.763 -4.191 42 2HH2 ARG 7 2HH2 ARG 7 -7.981 -3.961 -5.232 43 H CYS 8 H CYS 8 -3.125 -1.923 -1.742 44 HA CYS 8 HA CYS 8 -0.501 -1.693 -2.763 45 1HB CYS 8 2HB CYS 8 -2.552 -0.262 -3.336 46 2HB CYS 8 1HB CYS 8 -2.198 0.641 -1.868 47 H ASN 9 H ASN 9 -1.955 -0.856 0.331 48 HA ASN 9 HA ASN 9 0.253 0.524 1.437 49 1HB ASN 9 2HB ASN 9 -2.166 0.475 2.284 50 2HB ASN 9 1HB ASN 9 -1.776 -1.084 2.993 51 1HD2 ASN 9 1HD2 ASN 9 1.060 0.385 3.266 52 2HD2 ASN 9 2HD2 ASN 9 0.871 1.180 4.790 53 H TYR 10 H TYR 10 -0.802 -2.850 1.646 54 HA TYR 10 HA TYR 10 1.316 -3.733 3.308 55 1HB TYR 10 2HB TYR 10 -0.762 -5.075 1.625 56 2HB TYR 10 1HB TYR 10 0.567 -6.032 2.275 57 HD1 TYR 10 1HD TYR 10 -0.533 -7.385 3.841 58 HD2 TYR 10 2HD TYR 10 -1.171 -3.179 3.921 59 HE1 TYR 10 1HE TYR 10 -1.731 -7.613 5.975 60 HE2 TYR 10 2HE TYR 10 -2.370 -3.396 6.056 61 HH TYR 10 HH TYR 10 -3.660 -6.027 7.182 62 H ASP 11 H ASP 11 1.024 -3.273 -0.101 63 HA ASP 11 HA ASP 11 3.332 -4.890 -0.783 64 1HB ASP 11 2HB ASP 11 1.386 -4.667 -2.303 65 2HB ASP 11 1HB ASP 11 1.698 -2.948 -2.442 66 H HIS 12 H HIS 12 2.488 -1.491 -0.431 67 HA HIS 12 HA HIS 12 5.338 -0.802 -0.805 68 1HB HIS 12 2HB HIS 12 3.006 1.064 -1.269 69 2HB HIS 12 1HB HIS 12 4.686 1.302 -1.740 70 HD1 HIS 12 1HD HIS 12 1.936 1.091 -3.547 71 HD2 HIS 12 2HD HIS 12 5.050 -1.637 -3.263 72 HE1 HIS 12 1HE HIS 12 1.820 -0.285 -5.643 73 HE2 HIS 12 2HE HIS 12 3.482 -2.137 -5.243 74 HA PRO 13 HA PRO 13 4.029 0.274 3.598 75 1HB PRO 13 2HB PRO 13 6.614 -0.985 4.245 76 2HB PRO 13 1HB PRO 13 5.018 -1.276 4.946 77 1HG PRO 13 2HG PRO 13 6.198 -3.078 3.350 78 2HG PRO 13 1HG PRO 13 4.443 -2.822 3.329 79 1HD PRO 13 2HD PRO 13 6.527 -1.818 1.423 80 2HD PRO 13 1HD PRO 13 4.919 -2.488 1.081 81 H GLU 14 H GLU 14 6.915 0.557 1.688 82 HA GLU 14 HA GLU 14 8.334 2.423 3.248 83 1HB GLU 14 2HB GLU 14 9.510 2.922 1.089 84 2HB GLU 14 1HB GLU 14 9.463 1.214 1.508 85 1HG GLU 14 2HG GLU 14 7.521 0.953 -0.018 86 2HG GLU 14 1HG GLU 14 7.736 2.632 -0.508 87 H ILE 15 H ILE 15 6.007 2.801 0.618 88 HA ILE 15 HA ILE 15 6.112 5.665 0.632 89 HB ILE 15 HB ILE 15 4.045 3.830 -0.600 90 1HG1 ILE 15 2HG1 ILE 15 6.277 3.373 -1.485 91 2HG1 ILE 15 1HG1 ILE 15 5.284 4.167 -2.703 92 1HG2 ILE 15 1HG2 ILE 15 4.503 6.420 -1.854 93 2HG2 ILE 15 2HG2 ILE 15 3.867 6.540 -0.215 94 3HG2 ILE 15 3HG2 ILE 15 2.992 5.614 -1.433 95 1HD1 ILE 15 1HD1 ILE 15 6.427 6.332 -1.803 96 2HD1 ILE 15 2HD1 ILE 15 7.274 5.275 -2.933 97 3HD1 ILE 15 3HD1 ILE 15 7.642 5.200 -1.210 98 H CYS 16 H CYS 16 3.812 3.212 1.750 99 HA CYS 16 HA CYS 16 2.391 5.301 3.247 100 1HB CYS 16 2HB CYS 16 1.542 2.528 2.415 101 2HB CYS 16 1HB CYS 16 0.581 3.589 3.442 102 1HN NH2 17 1H CYS 16 4.470 5.052 4.595 103 2HN NH2 17 2H CYS 16 4.377 3.945 5.918 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 -5.746 8.197 -3.240 2 2H GLY 1 2HT GLY 1 -5.637 6.587 -3.753 3 3H GLY 1 3HT GLY 1 -4.832 7.805 -4.609 4 1HA GLY 1 1HA GLY 1 -3.069 7.767 -3.268 5 2HA GLY 1 2HA GLY 1 -4.095 7.741 -1.839 6 H CYS 2 H CYS 2 -1.643 6.176 -2.596 7 HA CYS 2 HA CYS 2 -2.365 3.504 -3.142 8 1HB CYS 2 2HB CYS 2 -0.098 4.301 -3.492 9 2HB CYS 2 1HB CYS 2 0.081 4.649 -1.778 10 H CYS 3 H CYS 3 -1.709 5.179 -0.085 11 HA CYS 3 HA CYS 3 -1.931 3.020 1.650 12 1HB CYS 3 2HB CYS 3 -2.845 5.778 2.402 13 2HB CYS 3 1HB CYS 3 -1.954 4.602 3.367 14 H SER 4 H SER 4 -4.377 4.724 -0.052 15 HA SER 4 HA SER 4 -6.584 4.245 1.638 16 1HB SER 4 2HB SER 4 -6.445 5.836 -0.360 17 2HB SER 4 1HB SER 4 -6.690 4.421 -1.375 18 HG SER 4 HG SER 4 -8.597 4.130 0.197 19 H ASP 5 H ASP 5 -4.939 2.380 -0.803 20 HA ASP 5 HA ASP 5 -6.889 0.211 -0.596 21 1HB ASP 5 2HB ASP 5 -6.156 0.826 -2.852 22 2HB ASP 5 1HB ASP 5 -4.478 0.544 -2.401 23 HA PRO 6 HA PRO 6 -4.443 -1.669 2.592 24 1HB PRO 6 2HB PRO 6 -5.554 -4.191 2.358 25 2HB PRO 6 1HB PRO 6 -6.253 -2.862 3.290 26 1HG PRO 6 2HG PRO 6 -6.930 -3.813 0.539 27 2HG PRO 6 1HG PRO 6 -8.008 -3.253 1.831 28 1HD PRO 6 2HD PRO 6 -7.362 -1.682 -0.252 29 2HD PRO 6 1HD PRO 6 -7.593 -1.019 1.379 30 H ARG 7 H ARG 7 -4.826 -3.287 -0.556 31 HA ARG 7 HA ARG 7 -2.586 -5.005 -0.204 32 1HB ARG 7 2HB ARG 7 -4.151 -5.696 -1.847 33 2HB ARG 7 1HB ARG 7 -4.136 -4.126 -2.637 34 1HG ARG 7 2HG ARG 7 -2.957 -5.816 -3.948 35 2HG ARG 7 1HG ARG 7 -1.877 -4.518 -3.436 36 1HD ARG 7 2HD ARG 7 -1.282 -6.048 -1.467 37 2HD ARG 7 1HD ARG 7 -2.063 -7.330 -2.392 38 HE ARG 7 HE ARG 7 0.523 -6.204 -2.848 39 1HH1 ARG 7 1HH1 ARG 7 -2.195 -7.712 -4.475 40 2HH1 ARG 7 2HH1 ARG 7 -1.258 -8.201 -5.845 41 1HH2 ARG 7 1HH2 ARG 7 1.752 -6.816 -4.629 42 2HH2 ARG 7 2HH2 ARG 7 1.003 -7.696 -5.936 43 H CYS 8 H CYS 8 -3.076 -1.901 -1.828 44 HA CYS 8 HA CYS 8 -0.436 -1.582 -2.771 45 1HB CYS 8 2HB CYS 8 -2.543 -0.206 -3.346 46 2HB CYS 8 1HB CYS 8 -2.182 0.716 -1.891 47 H ASN 9 H ASN 9 -1.976 -0.814 0.301 48 HA ASN 9 HA ASN 9 0.175 0.614 1.464 49 1HB ASN 9 2HB ASN 9 -2.273 0.474 2.252 50 2HB ASN 9 1HB ASN 9 -1.826 -1.058 2.982 51 1HD2 ASN 9 1HD2 ASN 9 0.944 0.487 3.304 52 2HD2 ASN 9 2HD2 ASN 9 0.698 1.302 4.809 53 H TYR 10 H TYR 10 -0.840 -2.774 1.721 54 HA TYR 10 HA TYR 10 1.298 -3.599 3.392 55 1HB TYR 10 2HB TYR 10 -0.857 -4.789 3.227 56 2HB TYR 10 1HB TYR 10 -0.476 -5.241 1.570 57 HD1 TYR 10 1HD TYR 10 -0.032 -7.493 1.417 58 HD2 TYR 10 2HD TYR 10 1.442 -5.351 4.785 59 HE1 TYR 10 1HE TYR 10 1.072 -9.535 2.228 60 HE2 TYR 10 2HE TYR 10 2.551 -7.387 5.604 61 HH TYR 10 HH TYR 10 3.438 -9.677 4.228 62 H ASP 11 H ASP 11 0.965 -3.255 -0.028 63 HA ASP 11 HA ASP 11 3.266 -4.891 -0.681 64 1HB ASP 11 2HB ASP 11 1.150 -4.583 -2.093 65 2HB ASP 11 1HB ASP 11 1.769 -2.995 -2.496 66 H HIS 12 H HIS 12 2.462 -1.520 -0.251 67 HA HIS 12 HA HIS 12 5.277 -0.812 -0.796 68 1HB HIS 12 2HB HIS 12 2.880 0.996 -1.177 69 2HB HIS 12 1HB HIS 12 4.545 1.335 -1.635 70 HD1 HIS 12 1HD HIS 12 1.942 1.189 -3.541 71 HD2 HIS 12 2HD HIS 12 4.924 -1.672 -3.159 72 HE1 HIS 12 1HE HIS 12 1.874 -0.145 -5.669 73 HE2 HIS 12 2HE HIS 12 3.511 -2.024 -5.276 74 HA PRO 13 HA PRO 13 4.090 0.226 3.661 75 1HB PRO 13 2HB PRO 13 6.694 -1.043 4.214 76 2HB PRO 13 1HB PRO 13 5.126 -1.323 4.977 77 1HG PRO 13 2HG PRO 13 6.223 -3.135 3.339 78 2HG PRO 13 1HG PRO 13 4.472 -2.856 3.376 79 1HD PRO 13 2HD PRO 13 6.503 -1.880 1.401 80 2HD PRO 13 1HD PRO 13 4.873 -2.525 1.114 81 H GLU 14 H GLU 14 6.950 0.491 1.706 82 HA GLU 14 HA GLU 14 8.405 2.359 3.221 83 1HB GLU 14 2HB GLU 14 9.454 2.883 0.952 84 2HB GLU 14 1HB GLU 14 9.559 1.216 1.506 85 1HG GLU 14 2HG GLU 14 7.671 0.615 0.085 86 2HG GLU 14 1HG GLU 14 7.545 2.286 -0.461 87 H ILE 15 H ILE 15 6.084 2.771 0.578 88 HA ILE 15 HA ILE 15 6.208 5.628 0.620 89 HB ILE 15 HB ILE 15 4.114 3.838 -0.626 90 1HG1 ILE 15 2HG1 ILE 15 6.586 5.058 -1.875 91 2HG1 ILE 15 1HG1 ILE 15 6.421 3.366 -1.421 92 1HG2 ILE 15 1HG2 ILE 15 3.861 6.468 -0.225 93 2HG2 ILE 15 2HG2 ILE 15 3.221 5.652 -1.651 94 3HG2 ILE 15 3HG2 ILE 15 4.764 6.500 -1.739 95 1HD1 ILE 15 1HD1 ILE 15 5.077 2.883 -3.185 96 2HD1 ILE 15 2HD1 ILE 15 6.009 4.207 -3.886 97 3HD1 ILE 15 3HD1 ILE 15 4.390 4.507 -3.253 98 H CYS 16 H CYS 16 3.841 3.211 1.691 99 HA CYS 16 HA CYS 16 2.429 5.311 3.172 100 1HB CYS 16 2HB CYS 16 1.597 2.532 2.347 101 2HB CYS 16 1HB CYS 16 0.633 3.572 3.393 102 1HN NH2 17 1H CYS 16 4.543 5.038 4.507 103 2HN NH2 17 2H CYS 16 4.424 3.967 5.859 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 -5.243 7.373 -4.647 2 2H GLY 1 2HT GLY 1 -6.121 7.657 -3.229 3 3H GLY 1 3HT GLY 1 -5.877 6.071 -3.769 4 1HA GLY 1 1HA GLY 1 -3.402 7.444 -3.426 5 2HA GLY 1 2HA GLY 1 -4.345 7.410 -1.941 6 H CYS 2 H CYS 2 -1.837 5.980 -2.753 7 HA CYS 2 HA CYS 2 -2.401 3.249 -3.179 8 1HB CYS 2 2HB CYS 2 -0.204 4.197 -3.635 9 2HB CYS 2 1HB CYS 2 0.015 4.575 -1.932 10 H CYS 3 H CYS 3 -1.589 5.002 -0.192 11 HA CYS 3 HA CYS 3 -1.738 2.855 1.577 12 1HB CYS 3 2HB CYS 3 -2.528 5.630 2.389 13 2HB CYS 3 1HB CYS 3 -1.551 4.449 3.261 14 H SER 4 H SER 4 -4.241 4.685 0.069 15 HA SER 4 HA SER 4 -6.344 4.274 1.891 16 1HB SER 4 2HB SER 4 -6.298 5.869 -0.088 17 2HB SER 4 1HB SER 4 -6.612 4.474 -1.113 18 HG SER 4 HG SER 4 -8.429 4.237 0.635 19 H ASP 5 H ASP 5 -4.997 2.363 -0.709 20 HA ASP 5 HA ASP 5 -6.991 0.261 -0.301 21 1HB ASP 5 2HB ASP 5 -6.668 0.550 -2.598 22 2HB ASP 5 1HB ASP 5 -4.936 0.812 -2.423 23 HA PRO 6 HA PRO 6 -4.299 -1.733 2.601 24 1HB PRO 6 2HB PRO 6 -5.501 -4.223 2.406 25 2HB PRO 6 1HB PRO 6 -6.040 -2.914 3.462 26 1HG PRO 6 2HG PRO 6 -7.076 -3.744 0.789 27 2HG PRO 6 1HG PRO 6 -7.967 -3.174 2.213 28 1HD PRO 6 2HD PRO 6 -7.501 -1.580 0.100 29 2HD PRO 6 1HD PRO 6 -7.516 -0.949 1.758 30 H ARG 7 H ARG 7 -4.992 -3.105 -0.586 31 HA ARG 7 HA ARG 7 -2.917 -5.034 -0.561 32 1HB ARG 7 2HB ARG 7 -4.770 -5.164 -2.148 33 2HB ARG 7 1HB ARG 7 -4.272 -3.648 -2.884 34 1HG ARG 7 2HG ARG 7 -3.568 -5.426 -4.297 35 2HG ARG 7 1HG ARG 7 -2.133 -4.742 -3.533 36 1HD ARG 7 2HD ARG 7 -2.283 -6.575 -1.826 37 2HD ARG 7 1HD ARG 7 -3.555 -7.299 -2.812 38 HE ARG 7 HE ARG 7 -1.944 -8.090 -4.216 39 1HH1 ARG 7 1HH1 ARG 7 -0.549 -5.511 -2.300 40 2HH1 ARG 7 2HH1 ARG 7 1.035 -5.680 -3.006 41 1HH2 ARG 7 1HH2 ARG 7 0.180 -8.294 -5.128 42 2HH2 ARG 7 2HH2 ARG 7 1.440 -7.229 -4.580 43 H CYS 8 H CYS 8 -3.127 -1.825 -2.054 44 HA CYS 8 HA CYS 8 -0.438 -1.690 -2.909 45 1HB CYS 8 2HB CYS 8 -2.426 -0.247 -3.644 46 2HB CYS 8 1HB CYS 8 -2.150 0.690 -2.181 47 H ASN 9 H ASN 9 -2.075 -0.711 0.057 48 HA ASN 9 HA ASN 9 0.038 0.691 1.277 49 1HB ASN 9 2HB ASN 9 -2.409 0.578 2.011 50 2HB ASN 9 1HB ASN 9 -2.016 -0.977 2.736 51 1HD2 ASN 9 1HD2 ASN 9 -1.541 -0.905 4.801 52 2HD2 ASN 9 2HD2 ASN 9 -0.861 0.439 5.643 53 H TYR 10 H TYR 10 -0.947 -2.703 1.501 54 HA TYR 10 HA TYR 10 1.140 -3.495 3.263 55 1HB TYR 10 2HB TYR 10 -1.036 -4.689 2.988 56 2HB TYR 10 1HB TYR 10 -0.508 -5.212 1.394 57 HD1 TYR 10 1HD TYR 10 -0.071 -7.476 1.424 58 HD2 TYR 10 2HD TYR 10 1.187 -5.113 4.731 59 HE1 TYR 10 1HE TYR 10 0.988 -9.455 2.427 60 HE2 TYR 10 2HE TYR 10 2.253 -7.086 5.741 61 HH TYR 10 HH TYR 10 3.225 -9.469 4.543 62 H ASP 11 H ASP 11 0.906 -3.093 -0.154 63 HA ASP 11 HA ASP 11 3.205 -4.743 -0.782 64 1HB ASP 11 2HB ASP 11 1.134 -4.266 -2.255 65 2HB ASP 11 1HB ASP 11 1.895 -2.726 -2.598 66 H HIS 12 H HIS 12 2.460 -1.355 -0.291 67 HA HIS 12 HA HIS 12 5.314 -0.722 -0.693 68 1HB HIS 12 2HB HIS 12 3.000 1.162 -1.186 69 2HB HIS 12 1HB HIS 12 4.693 1.422 -1.598 70 HD1 HIS 12 1HD HIS 12 2.029 1.241 -3.517 71 HD2 HIS 12 2HD HIS 12 5.097 -1.525 -3.126 72 HE1 HIS 12 1HE HIS 12 1.996 -0.109 -5.635 73 HE2 HIS 12 2HE HIS 12 3.684 -1.938 -5.228 74 HA PRO 13 HA PRO 13 3.851 0.431 3.682 75 1HB PRO 13 2HB PRO 13 5.897 -0.849 4.974 76 2HB PRO 13 1HB PRO 13 4.325 -1.590 4.652 77 1HG PRO 13 2HG PRO 13 6.901 -1.878 3.158 78 2HG PRO 13 1HG PRO 13 5.705 -3.118 3.582 79 1HD PRO 13 2HD PRO 13 5.842 -2.056 1.113 80 2HD PRO 13 1HD PRO 13 4.298 -2.537 1.844 81 H GLU 14 H GLU 14 6.852 0.386 1.942 82 HA GLU 14 HA GLU 14 8.392 2.107 3.538 83 1HB GLU 14 2HB GLU 14 9.583 0.929 1.918 84 2HB GLU 14 1HB GLU 14 8.415 1.284 0.657 85 1HG GLU 14 2HG GLU 14 9.182 3.616 0.629 86 2HG GLU 14 1HG GLU 14 10.391 3.216 1.846 87 H ILE 15 H ILE 15 6.413 2.769 0.667 88 HA ILE 15 HA ILE 15 6.757 5.589 0.800 89 HB ILE 15 HB ILE 15 4.521 4.138 -0.617 90 1HG1 ILE 15 2HG1 ILE 15 7.302 4.734 -1.661 91 2HG1 ILE 15 1HG1 ILE 15 6.733 3.139 -1.182 92 1HG2 ILE 15 1HG2 ILE 15 4.789 6.081 -2.192 93 2HG2 ILE 15 2HG2 ILE 15 5.875 6.798 -1.001 94 3HG2 ILE 15 3HG2 ILE 15 4.189 6.494 -0.586 95 1HD1 ILE 15 1HD1 ILE 15 6.148 2.859 -3.302 96 2HD1 ILE 15 2HD1 ILE 15 6.368 4.571 -3.666 97 3HD1 ILE 15 3HD1 ILE 15 4.839 4.001 -2.998 98 H CYS 16 H CYS 16 4.153 3.372 1.720 99 HA CYS 16 HA CYS 16 2.625 5.544 2.901 100 1HB CYS 16 2HB CYS 16 2.087 2.602 2.535 101 2HB CYS 16 1HB CYS 16 1.011 3.661 3.442 102 1HN NH2 17 1H CYS 16 5.041 5.277 4.148 103 2HN NH2 17 2H CYS 16 4.825 4.639 5.739 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 -5.269 7.976 -2.597 2 2H GLY 1 2HT GLY 1 -4.273 9.055 -3.435 3 3H GLY 1 3HT GLY 1 -4.706 9.375 -1.831 4 1HA GLY 1 1HA GLY 1 -2.401 8.211 -2.586 5 2HA GLY 1 2HA GLY 1 -3.113 8.082 -0.983 6 H CYS 2 H CYS 2 -1.494 6.167 -2.680 7 HA CYS 2 HA CYS 2 -3.189 4.055 -3.509 8 1HB CYS 2 2HB CYS 2 -0.624 4.570 -3.962 9 2HB CYS 2 1HB CYS 2 -0.401 3.490 -2.597 10 H CYS 3 H CYS 3 -1.875 4.980 -0.447 11 HA CYS 3 HA CYS 3 -1.948 2.617 0.999 12 1HB CYS 3 2HB CYS 3 -2.727 5.261 2.192 13 2HB CYS 3 1HB CYS 3 -1.758 3.967 2.898 14 H SER 4 H SER 4 -4.534 4.494 -0.235 15 HA SER 4 HA SER 4 -6.596 3.915 1.577 16 1HB SER 4 2HB SER 4 -6.653 5.539 -0.395 17 2HB SER 4 1HB SER 4 -6.920 4.133 -1.422 18 HG SER 4 HG SER 4 -8.714 3.728 0.214 19 H ASP 5 H ASP 5 -5.096 2.147 -0.997 20 HA ASP 5 HA ASP 5 -6.937 -0.112 -0.793 21 1HB ASP 5 2HB ASP 5 -6.162 0.517 -3.032 22 2HB ASP 5 1HB ASP 5 -4.487 0.392 -2.514 23 HA PRO 6 HA PRO 6 -4.423 -1.627 2.587 24 1HB PRO 6 2HB PRO 6 -5.555 -4.189 2.458 25 2HB PRO 6 1HB PRO 6 -6.112 -2.853 3.465 26 1HG PRO 6 2HG PRO 6 -7.161 -3.830 0.869 27 2HG PRO 6 1HG PRO 6 -8.022 -3.078 2.222 28 1HD PRO 6 2HD PRO 6 -7.472 -1.759 -0.077 29 2HD PRO 6 1HD PRO 6 -7.541 -0.939 1.494 30 H ARG 7 H ARG 7 -4.870 -3.315 -0.456 31 HA ARG 7 HA ARG 7 -2.725 -5.127 -0.182 32 1HB ARG 7 2HB ARG 7 -4.235 -5.740 -1.818 33 2HB ARG 7 1HB ARG 7 -4.413 -4.100 -2.415 34 1HG ARG 7 2HG ARG 7 -2.034 -4.349 -3.308 35 2HG ARG 7 1HG ARG 7 -2.240 -6.076 -2.993 36 1HD ARG 7 2HD ARG 7 -2.829 -5.252 -5.329 37 2HD ARG 7 1HD ARG 7 -4.031 -6.247 -4.506 38 HE ARG 7 HE ARG 7 -4.522 -3.521 -3.946 39 1HH1 ARG 7 1HH1 ARG 7 -4.725 -5.789 -6.615 40 2HH1 ARG 7 2HH1 ARG 7 -6.056 -4.975 -7.364 41 1HH2 ARG 7 1HH2 ARG 7 -6.284 -2.481 -4.898 42 2HH2 ARG 7 2HH2 ARG 7 -6.944 -3.086 -6.386 43 H CYS 8 H CYS 8 -2.989 -2.002 -1.884 44 HA CYS 8 HA CYS 8 -0.275 -1.869 -2.660 45 1HB CYS 8 2HB CYS 8 -2.173 -0.436 -3.562 46 2HB CYS 8 1HB CYS 8 -2.025 0.536 -2.101 47 H ASN 9 H ASN 9 -1.968 -0.877 0.252 48 HA ASN 9 HA ASN 9 0.114 0.610 1.451 49 1HB ASN 9 2HB ASN 9 -2.336 0.528 2.158 50 2HB ASN 9 1HB ASN 9 -1.973 -1.022 2.907 51 1HD2 ASN 9 1HD2 ASN 9 -1.234 -1.027 4.919 52 2HD2 ASN 9 2HD2 ASN 9 -0.679 0.359 5.784 53 H TYR 10 H TYR 10 -0.885 -2.763 1.788 54 HA TYR 10 HA TYR 10 1.184 -3.522 3.587 55 1HB TYR 10 2HB TYR 10 -0.974 -4.709 3.399 56 2HB TYR 10 1HB TYR 10 -0.545 -5.223 1.773 57 HD1 TYR 10 1HD TYR 10 1.243 -5.229 5.061 58 HD2 TYR 10 2HD TYR 10 -0.086 -7.481 1.704 59 HE1 TYR 10 1HE TYR 10 2.311 -7.237 5.993 60 HE2 TYR 10 2HE TYR 10 0.978 -9.496 2.630 61 HH TYR 10 HH TYR 10 3.217 -9.655 4.584 62 H ASP 11 H ASP 11 0.956 -3.252 0.167 63 HA ASP 11 HA ASP 11 3.222 -4.954 -0.418 64 1HB ASP 11 2HB ASP 11 1.280 -4.734 -1.952 65 2HB ASP 11 1HB ASP 11 1.664 -3.040 -2.183 66 H HIS 12 H HIS 12 2.498 -1.493 -0.273 67 HA HIS 12 HA HIS 12 5.386 -0.968 -0.625 68 1HB HIS 12 2HB HIS 12 3.166 0.952 -1.330 69 2HB HIS 12 1HB HIS 12 4.871 1.082 -1.745 70 HD1 HIS 12 1HD HIS 12 2.219 0.870 -3.664 71 HD2 HIS 12 2HD HIS 12 5.148 -1.993 -3.009 72 HE1 HIS 12 1HE HIS 12 2.097 -0.677 -5.632 73 HE2 HIS 12 2HE HIS 12 3.639 -2.571 -5.018 74 HA PRO 13 HA PRO 13 3.959 0.621 3.620 75 1HB PRO 13 2HB PRO 13 6.414 -0.794 4.468 76 2HB PRO 13 1HB PRO 13 4.798 -0.826 5.182 77 1HG PRO 13 2HG PRO 13 5.746 -2.930 3.845 78 2HG PRO 13 1HG PRO 13 4.042 -2.455 3.718 79 1HD PRO 13 2HD PRO 13 6.293 -1.951 1.801 80 2HD PRO 13 1HD PRO 13 4.625 -2.467 1.467 81 H GLU 14 H GLU 14 6.778 0.551 1.674 82 HA GLU 14 HA GLU 14 8.479 2.317 3.031 83 1HB GLU 14 2HB GLU 14 9.402 2.709 0.683 84 2HB GLU 14 1HB GLU 14 9.390 1.043 1.251 85 1HG GLU 14 2HG GLU 14 7.322 0.640 -0.004 86 2HG GLU 14 1HG GLU 14 7.366 2.300 -0.588 87 H ILE 15 H ILE 15 6.067 2.891 0.493 88 HA ILE 15 HA ILE 15 6.345 5.765 0.688 89 HB ILE 15 HB ILE 15 4.251 4.190 -0.825 90 1HG1 ILE 15 2HG1 ILE 15 6.911 5.236 -1.822 91 2HG1 ILE 15 1HG1 ILE 15 6.534 3.544 -1.519 92 1HG2 ILE 15 1HG2 ILE 15 5.245 7.020 -1.152 93 2HG2 ILE 15 2HG2 ILE 15 3.687 6.534 -0.483 94 3HG2 ILE 15 3HG2 ILE 15 4.054 6.223 -2.180 95 1HD1 ILE 15 1HD1 ILE 15 6.221 3.651 -3.772 96 2HD1 ILE 15 2HD1 ILE 15 5.648 5.318 -3.727 97 3HD1 ILE 15 3HD1 ILE 15 4.587 4.006 -3.213 98 H CYS 16 H CYS 16 3.960 3.277 1.420 99 HA CYS 16 HA CYS 16 2.258 5.194 2.795 100 1HB CYS 16 2HB CYS 16 1.944 2.275 2.106 101 2HB CYS 16 1HB CYS 16 0.774 3.167 3.075 102 1HN NH2 17 1H CYS 16 4.332 5.343 4.233 103 2HN NH2 17 2H CYS 16 4.301 4.361 5.654 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 -4.941 9.364 -1.823 2 2H GLY 1 2HT GLY 1 -5.501 7.967 -2.595 3 3H GLY 1 3HT GLY 1 -4.591 9.103 -3.457 4 1HA GLY 1 1HA GLY 1 -2.658 8.262 -2.788 5 2HA GLY 1 2HA GLY 1 -3.224 8.159 -1.126 6 H CYS 2 H CYS 2 -1.712 6.256 -2.892 7 HA CYS 2 HA CYS 2 -3.346 4.065 -3.575 8 1HB CYS 2 2HB CYS 2 -0.831 4.639 -4.122 9 2HB CYS 2 1HB CYS 2 -0.512 3.663 -2.700 10 H CYS 3 H CYS 3 -1.944 5.089 -0.571 11 HA CYS 3 HA CYS 3 -1.970 2.755 0.918 12 1HB CYS 3 2HB CYS 3 -2.656 5.464 2.032 13 2HB CYS 3 1HB CYS 3 -1.766 4.153 2.807 14 H SER 4 H SER 4 -4.600 4.563 -0.290 15 HA SER 4 HA SER 4 -6.582 4.040 1.641 16 1HB SER 4 2HB SER 4 -6.775 5.644 -0.302 17 2HB SER 4 1HB SER 4 -6.981 4.251 -1.356 18 HG SER 4 HG SER 4 -8.732 3.750 0.337 19 H ASP 5 H ASP 5 -5.207 2.248 -0.986 20 HA ASP 5 HA ASP 5 -7.029 0.002 -0.602 21 1HB ASP 5 2HB ASP 5 -6.512 0.533 -2.906 22 2HB ASP 5 1HB ASP 5 -4.784 0.502 -2.575 23 HA PRO 6 HA PRO 6 -4.335 -1.587 2.558 24 1HB PRO 6 2HB PRO 6 -5.438 -4.137 2.503 25 2HB PRO 6 1HB PRO 6 -6.024 -2.781 3.472 26 1HG PRO 6 2HG PRO 6 -7.016 -3.815 0.855 27 2HG PRO 6 1HG PRO 6 -7.930 -3.161 2.224 28 1HD PRO 6 2HD PRO 6 -7.491 -1.715 0.006 29 2HD PRO 6 1HD PRO 6 -7.517 -0.962 1.615 30 H ARG 7 H ARG 7 -4.833 -3.255 -0.518 31 HA ARG 7 HA ARG 7 -2.712 -5.105 -0.253 32 1HB ARG 7 2HB ARG 7 -3.703 -3.933 -2.851 33 2HB ARG 7 1HB ARG 7 -2.947 -5.498 -2.601 34 1HG ARG 7 2HG ARG 7 -4.861 -6.467 -1.880 35 2HG ARG 7 1HG ARG 7 -5.465 -4.982 -1.138 36 1HD ARG 7 2HD ARG 7 -6.824 -5.579 -3.060 37 2HD ARG 7 1HD ARG 7 -5.953 -4.077 -3.364 38 HE ARG 7 HE ARG 7 -4.569 -6.391 -4.341 39 1HH1 ARG 7 1HH1 ARG 7 -7.006 -3.982 -5.058 40 2HH1 ARG 7 2HH1 ARG 7 -6.945 -4.227 -6.775 41 1HH2 ARG 7 1HH2 ARG 7 -4.462 -6.729 -6.613 42 2HH2 ARG 7 2HH2 ARG 7 -5.486 -5.806 -7.666 43 H CYS 8 H CYS 8 -2.971 -1.941 -1.827 44 HA CYS 8 HA CYS 8 -0.267 -1.772 -2.652 45 1HB CYS 8 2HB CYS 8 -2.225 -0.302 -3.413 46 2HB CYS 8 1HB CYS 8 -1.988 0.608 -1.927 47 H ASN 9 H ASN 9 -1.926 -0.933 0.336 48 HA ASN 9 HA ASN 9 0.209 0.481 1.559 49 1HB ASN 9 2HB ASN 9 -2.211 0.504 2.287 50 2HB ASN 9 1HB ASN 9 -1.965 -1.105 2.949 51 1HD2 ASN 9 1HD2 ASN 9 0.878 0.545 3.363 52 2HD2 ASN 9 2HD2 ASN 9 0.615 1.143 4.963 53 H TYR 10 H TYR 10 -0.851 -2.885 1.763 54 HA TYR 10 HA TYR 10 1.212 -3.727 3.531 55 1HB TYR 10 2HB TYR 10 -0.842 -5.119 1.844 56 2HB TYR 10 1HB TYR 10 0.440 -6.056 2.609 57 HD1 TYR 10 1HD TYR 10 -1.316 -3.079 3.981 58 HD2 TYR 10 2HD TYR 10 -0.743 -7.288 4.214 59 HE1 TYR 10 1HE TYR 10 -2.606 -3.133 6.079 60 HE2 TYR 10 2HE TYR 10 -2.031 -7.352 6.310 61 HH TYR 10 HH TYR 10 -3.225 -4.388 7.819 62 H ASP 11 H ASP 11 1.014 -3.308 0.126 63 HA ASP 11 HA ASP 11 3.280 -5.008 -0.493 64 1HB ASP 11 2HB ASP 11 1.355 -4.726 -2.053 65 2HB ASP 11 1HB ASP 11 1.775 -3.033 -2.228 66 H HIS 12 H HIS 12 2.533 -1.562 -0.276 67 HA HIS 12 HA HIS 12 5.409 -0.966 -0.601 68 1HB HIS 12 2HB HIS 12 3.104 0.916 -1.160 69 2HB HIS 12 1HB HIS 12 4.804 1.155 -1.563 70 HD1 HIS 12 1HD HIS 12 2.207 0.954 -3.526 71 HD2 HIS 12 2HD HIS 12 5.187 -1.874 -2.969 72 HE1 HIS 12 1HE HIS 12 2.138 -0.503 -5.566 73 HE2 HIS 12 2HE HIS 12 3.716 -2.387 -5.018 74 HA PRO 13 HA PRO 13 4.270 0.147 3.757 75 1HB PRO 13 2HB PRO 13 6.950 -0.873 4.344 76 2HB PRO 13 1HB PRO 13 5.395 -1.364 5.017 77 1HG PRO 13 2HG PRO 13 6.797 -2.948 3.350 78 2HG PRO 13 1HG PRO 13 5.022 -2.926 3.365 79 1HD PRO 13 2HD PRO 13 6.920 -1.581 1.471 80 2HD PRO 13 1HD PRO 13 5.413 -2.458 1.122 81 H GLU 14 H GLU 14 7.194 0.695 1.872 82 HA GLU 14 HA GLU 14 8.232 2.736 3.565 83 1HB GLU 14 2HB GLU 14 9.830 3.174 1.807 84 2HB GLU 14 1HB GLU 14 9.645 1.440 1.996 85 1HG GLU 14 2HG GLU 14 8.435 3.136 -0.179 86 2HG GLU 14 1HG GLU 14 9.813 2.057 -0.344 87 H ILE 15 H ILE 15 6.387 2.802 0.525 88 HA ILE 15 HA ILE 15 6.252 5.652 0.428 89 HB ILE 15 HB ILE 15 4.479 3.627 -0.955 90 1HG1 ILE 15 2HG1 ILE 15 6.950 5.044 -1.978 91 2HG1 ILE 15 1HG1 ILE 15 6.908 3.366 -1.447 92 1HG2 ILE 15 1HG2 ILE 15 4.944 6.565 -1.409 93 2HG2 ILE 15 2HG2 ILE 15 3.425 5.759 -1.013 94 3HG2 ILE 15 3HG2 ILE 15 4.174 5.507 -2.591 95 1HD1 ILE 15 1HD1 ILE 15 4.865 3.632 -3.349 96 2HD1 ILE 15 2HD1 ILE 15 6.405 2.786 -3.519 97 3HD1 ILE 15 3HD1 ILE 15 6.271 4.477 -4.001 98 H CYS 16 H CYS 16 4.087 3.097 1.518 99 HA CYS 16 HA CYS 16 2.261 5.128 2.592 100 1HB CYS 16 2HB CYS 16 1.902 2.214 1.927 101 2HB CYS 16 1HB CYS 16 0.741 3.094 2.917 102 1HN NH2 17 1H CYS 16 4.594 4.934 3.933 103 2HN NH2 17 2H CYS 16 4.359 4.168 5.464 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 -4.771 7.712 -4.623 2 2H GLY 1 2HT GLY 1 -5.724 8.050 -3.265 3 3H GLY 1 3HT GLY 1 -5.585 6.459 -3.827 4 1HA GLY 1 1HA GLY 1 -3.038 7.635 -3.246 5 2HA GLY 1 2HA GLY 1 -4.099 7.578 -1.843 6 H CYS 2 H CYS 2 -1.627 6.034 -2.553 7 HA CYS 2 HA CYS 2 -2.352 3.366 -3.163 8 1HB CYS 2 2HB CYS 2 -0.083 4.167 -3.500 9 2HB CYS 2 1HB CYS 2 0.093 4.491 -1.781 10 H CYS 3 H CYS 3 -1.630 4.973 -0.082 11 HA CYS 3 HA CYS 3 -1.930 2.784 1.612 12 1HB CYS 3 2HB CYS 3 -2.707 5.545 2.474 13 2HB CYS 3 1HB CYS 3 -1.785 4.322 3.345 14 H SER 4 H SER 4 -4.298 4.625 -0.046 15 HA SER 4 HA SER 4 -6.521 4.294 1.646 16 1HB SER 4 2HB SER 4 -6.314 5.812 -0.396 17 2HB SER 4 1HB SER 4 -6.611 4.380 -1.374 18 HG SER 4 HG SER 4 -8.534 4.226 0.217 19 H ASP 5 H ASP 5 -4.988 2.280 -0.751 20 HA ASP 5 HA ASP 5 -7.006 0.185 -0.374 21 1HB ASP 5 2HB ASP 5 -6.613 0.448 -2.679 22 2HB ASP 5 1HB ASP 5 -4.879 0.652 -2.453 23 HA PRO 6 HA PRO 6 -4.356 -1.670 2.656 24 1HB PRO 6 2HB PRO 6 -5.533 -4.178 2.523 25 2HB PRO 6 1HB PRO 6 -6.102 -2.841 3.523 26 1HG PRO 6 2HG PRO 6 -7.081 -3.771 0.863 27 2HG PRO 6 1HG PRO 6 -8.003 -3.159 2.249 28 1HD PRO 6 2HD PRO 6 -7.511 -1.637 0.089 29 2HD PRO 6 1HD PRO 6 -7.561 -0.948 1.723 30 H ARG 7 H ARG 7 -4.990 -3.197 -0.477 31 HA ARG 7 HA ARG 7 -2.859 -5.059 -0.321 32 1HB ARG 7 2HB ARG 7 -4.856 -5.152 -1.889 33 2HB ARG 7 1HB ARG 7 -4.056 -3.917 -2.851 34 1HG ARG 7 2HG ARG 7 -2.660 -6.481 -2.199 35 2HG ARG 7 1HG ARG 7 -3.817 -6.392 -3.527 36 1HD ARG 7 2HD ARG 7 -2.488 -5.006 -4.772 37 2HD ARG 7 1HD ARG 7 -1.686 -4.326 -3.358 38 HE ARG 7 HE ARG 7 -1.037 -7.074 -3.685 39 1HH1 ARG 7 1HH1 ARG 7 -0.413 -3.925 -5.034 40 2HH1 ARG 7 2HH1 ARG 7 1.253 -4.257 -5.409 41 1HH2 ARG 7 1HH2 ARG 7 1.154 -7.561 -4.248 42 2HH2 ARG 7 2HH2 ARG 7 2.129 -6.336 -4.990 43 H CYS 8 H CYS 8 -3.169 -1.913 -1.937 44 HA CYS 8 HA CYS 8 -0.506 -1.735 -2.856 45 1HB CYS 8 2HB CYS 8 -2.516 -0.302 -3.541 46 2HB CYS 8 1HB CYS 8 -2.230 0.622 -2.071 47 H ASN 9 H ASN 9 -2.078 -0.775 0.142 48 HA ASN 9 HA ASN 9 0.036 0.635 1.339 49 1HB ASN 9 2HB ASN 9 -2.360 0.547 2.133 50 2HB ASN 9 1HB ASN 9 -2.031 -1.067 2.748 51 1HD2 ASN 9 1HD2 ASN 9 -1.553 -1.154 4.812 52 2HD2 ASN 9 2HD2 ASN 9 -0.822 0.102 5.743 53 H TYR 10 H TYR 10 -0.890 -2.776 1.508 54 HA TYR 10 HA TYR 10 1.246 -3.553 3.223 55 1HB TYR 10 2HB TYR 10 -0.830 -4.989 1.617 56 2HB TYR 10 1HB TYR 10 0.529 -5.901 2.272 57 HD1 TYR 10 1HD TYR 10 -1.217 -3.025 3.858 58 HD2 TYR 10 2HD TYR 10 -0.526 -7.222 3.902 59 HE1 TYR 10 1HE TYR 10 -2.372 -3.185 6.020 60 HE2 TYR 10 2HE TYR 10 -1.683 -7.394 6.066 61 HH TYR 10 HH TYR 10 -2.727 -6.301 7.690 62 H ASP 11 H ASP 11 0.960 -3.090 -0.169 63 HA ASP 11 HA ASP 11 3.244 -4.744 -0.864 64 1HB ASP 11 2HB ASP 11 1.280 -4.367 -2.387 65 2HB ASP 11 1HB ASP 11 1.771 -2.692 -2.537 66 H HIS 12 H HIS 12 2.489 -1.354 -0.352 67 HA HIS 12 HA HIS 12 5.350 -0.719 -0.722 68 1HB HIS 12 2HB HIS 12 3.065 1.201 -1.192 69 2HB HIS 12 1HB HIS 12 4.755 1.413 -1.634 70 HD1 HIS 12 1HD HIS 12 1.994 1.253 -3.452 71 HD2 HIS 12 2HD HIS 12 5.112 -1.477 -3.225 72 HE1 HIS 12 1HE HIS 12 1.881 -0.075 -5.577 73 HE2 HIS 12 2HE HIS 12 3.576 -1.909 -5.246 74 HA PRO 13 HA PRO 13 3.938 0.385 3.668 75 1HB PRO 13 2HB PRO 13 6.427 -1.033 4.375 76 2HB PRO 13 1HB PRO 13 4.809 -1.206 5.058 77 1HG PRO 13 2HG PRO 13 5.871 -3.105 3.499 78 2HG PRO 13 1HG PRO 13 4.141 -2.717 3.441 79 1HD PRO 13 2HD PRO 13 6.332 -1.902 1.564 80 2HD PRO 13 1HD PRO 13 4.678 -2.442 1.199 81 H GLU 14 H GLU 14 6.900 0.435 1.864 82 HA GLU 14 HA GLU 14 8.405 2.240 3.406 83 1HB GLU 14 2HB GLU 14 9.569 2.648 1.164 84 2HB GLU 14 1HB GLU 14 9.554 0.991 1.758 85 1HG GLU 14 2HG GLU 14 7.680 0.472 0.284 86 2HG GLU 14 1HG GLU 14 7.681 2.133 -0.305 87 H ILE 15 H ILE 15 6.197 2.718 0.687 88 HA ILE 15 HA ILE 15 6.495 5.558 0.619 89 HB ILE 15 HB ILE 15 4.305 3.839 -0.565 90 1HG1 ILE 15 2HG1 ILE 15 6.502 3.177 -1.405 91 2HG1 ILE 15 1HG1 ILE 15 5.589 4.002 -2.664 92 1HG2 ILE 15 1HG2 ILE 15 3.343 5.706 -1.269 93 2HG2 ILE 15 2HG2 ILE 15 4.840 6.218 -2.046 94 3HG2 ILE 15 3HG2 ILE 15 4.530 6.643 -0.363 95 1HD1 ILE 15 1HD1 ILE 15 7.765 4.833 -2.834 96 2HD1 ILE 15 2HD1 ILE 15 7.926 5.014 -1.087 97 3HD1 ILE 15 3HD1 ILE 15 6.866 6.096 -1.993 98 H CYS 16 H CYS 16 4.010 3.330 1.809 99 HA CYS 16 HA CYS 16 2.554 5.530 3.038 100 1HB CYS 16 2HB CYS 16 1.983 2.576 2.806 101 2HB CYS 16 1HB CYS 16 0.949 3.700 3.685 102 1HN NH2 17 1H CYS 16 5.017 5.328 4.145 103 2HN NH2 17 2H CYS 16 4.916 4.702 5.751 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 -5.428 9.154 -2.134 2 2H GLY 1 2HT GLY 1 -5.856 7.659 -2.800 3 3H GLY 1 3HT GLY 1 -5.035 8.799 -3.742 4 1HA GLY 1 1HA GLY 1 -3.039 8.217 -2.967 5 2HA GLY 1 2HA GLY 1 -3.646 8.114 -1.319 6 H CYS 2 H CYS 2 -1.904 6.295 -2.984 7 HA CYS 2 HA CYS 2 -3.337 3.945 -3.617 8 1HB CYS 2 2HB CYS 2 -0.855 4.752 -4.135 9 2HB CYS 2 1HB CYS 2 -0.493 3.783 -2.722 10 H CYS 3 H CYS 3 -1.886 5.141 -0.681 11 HA CYS 3 HA CYS 3 -1.786 2.882 0.910 12 1HB CYS 3 2HB CYS 3 -2.497 5.639 1.897 13 2HB CYS 3 1HB CYS 3 -1.567 4.389 2.725 14 H SER 4 H SER 4 -4.527 4.602 -0.212 15 HA SER 4 HA SER 4 -6.368 4.064 1.855 16 1HB SER 4 2HB SER 4 -6.632 5.650 -0.151 17 2HB SER 4 1HB SER 4 -7.066 4.220 -1.080 18 HG SER 4 HG SER 4 -8.625 3.919 0.811 19 H ASP 5 H ASP 5 -5.131 2.246 -0.832 20 HA ASP 5 HA ASP 5 -6.976 0.033 -0.386 21 1HB ASP 5 2HB ASP 5 -6.579 0.377 -2.685 22 2HB ASP 5 1HB ASP 5 -4.852 0.613 -2.441 23 HA PRO 6 HA PRO 6 -4.261 -1.788 2.615 24 1HB PRO 6 2HB PRO 6 -5.343 -4.330 2.434 25 2HB PRO 6 1HB PRO 6 -5.977 -3.028 3.445 26 1HG PRO 6 2HG PRO 6 -6.879 -3.952 0.752 27 2HG PRO 6 1HG PRO 6 -7.846 -3.415 2.138 28 1HD PRO 6 2HD PRO 6 -7.402 -1.818 0.026 29 2HD PRO 6 1HD PRO 6 -7.488 -1.172 1.678 30 H ARG 7 H ARG 7 -4.804 -3.212 -0.562 31 HA ARG 7 HA ARG 7 -2.700 -5.087 -0.497 32 1HB ARG 7 2HB ARG 7 -3.761 -3.675 -2.946 33 2HB ARG 7 1HB ARG 7 -2.967 -5.242 -2.883 34 1HG ARG 7 2HG ARG 7 -4.839 -6.238 -1.808 35 2HG ARG 7 1HG ARG 7 -5.602 -4.667 -1.555 36 1HD ARG 7 2HD ARG 7 -5.808 -4.382 -3.978 37 2HD ARG 7 1HD ARG 7 -5.050 -5.952 -4.228 38 HE ARG 7 HE ARG 7 -7.054 -6.937 -3.803 39 1HH1 ARG 7 1HH1 ARG 7 -7.187 -3.648 -2.549 40 2HH1 ARG 7 2HH1 ARG 7 -8.859 -3.778 -2.096 41 1HH2 ARG 7 1HH2 ARG 7 -9.250 -7.081 -3.192 42 2HH2 ARG 7 2HH2 ARG 7 -10.028 -5.721 -2.458 43 H CYS 8 H CYS 8 -2.893 -1.884 -2.025 44 HA CYS 8 HA CYS 8 -0.173 -1.716 -2.742 45 1HB CYS 8 2HB CYS 8 -2.049 -0.260 -3.613 46 2HB CYS 8 1HB CYS 8 -1.981 0.625 -2.094 47 H ASN 9 H ASN 9 -1.902 -0.871 0.187 48 HA ASN 9 HA ASN 9 0.149 0.592 1.465 49 1HB ASN 9 2HB ASN 9 -2.329 0.453 2.090 50 2HB ASN 9 1HB ASN 9 -1.953 -1.090 2.842 51 1HD2 ASN 9 1HD2 ASN 9 -2.501 2.003 3.508 52 2HD2 ASN 9 2HD2 ASN 9 -1.542 2.197 4.935 53 H TYR 10 H TYR 10 -0.851 -2.795 1.763 54 HA TYR 10 HA TYR 10 1.232 -3.543 3.535 55 1HB TYR 10 2HB TYR 10 -0.820 -4.999 1.918 56 2HB TYR 10 1HB TYR 10 0.496 -5.911 2.656 57 HD1 TYR 10 1HD TYR 10 -0.508 -7.113 4.379 58 HD2 TYR 10 2HD TYR 10 -1.378 -2.966 3.983 59 HE1 TYR 10 1HE TYR 10 -1.738 -7.172 6.507 60 HE2 TYR 10 2HE TYR 10 -2.611 -3.015 6.110 61 HH TYR 10 HH TYR 10 -2.498 -4.561 8.266 62 H ASP 11 H ASP 11 1.025 -3.328 0.088 63 HA ASP 11 HA ASP 11 3.346 -5.001 -0.379 64 1HB ASP 11 2HB ASP 11 1.390 -4.853 -1.949 65 2HB ASP 11 1HB ASP 11 1.872 -3.210 -2.320 66 H HIS 12 H HIS 12 2.544 -1.599 -0.174 67 HA HIS 12 HA HIS 12 5.405 -0.961 -0.589 68 1HB HIS 12 2HB HIS 12 3.086 0.877 -1.229 69 2HB HIS 12 1HB HIS 12 4.784 1.131 -1.615 70 HD1 HIS 12 1HD HIS 12 2.262 0.927 -3.636 71 HD2 HIS 12 2HD HIS 12 5.164 -1.955 -2.941 72 HE1 HIS 12 1HE HIS 12 2.252 -0.543 -5.669 73 HE2 HIS 12 2HE HIS 12 3.769 -2.456 -5.040 74 HA PRO 13 HA PRO 13 3.914 0.413 3.694 75 1HB PRO 13 2HB PRO 13 6.386 -0.943 4.556 76 2HB PRO 13 1HB PRO 13 4.746 -1.085 5.196 77 1HG PRO 13 2HG PRO 13 5.869 -3.065 3.785 78 2HG PRO 13 1HG PRO 13 4.140 -2.695 3.653 79 1HD PRO 13 2HD PRO 13 6.379 -1.970 1.800 80 2HD PRO 13 1HD PRO 13 4.745 -2.551 1.417 81 H GLU 14 H GLU 14 6.937 0.419 1.970 82 HA GLU 14 HA GLU 14 8.344 2.307 3.514 83 1HB GLU 14 2HB GLU 14 9.691 2.609 1.412 84 2HB GLU 14 1HB GLU 14 9.535 0.941 1.949 85 1HG GLU 14 2HG GLU 14 7.691 0.650 0.309 86 2HG GLU 14 1HG GLU 14 8.027 2.273 -0.287 87 H ILE 15 H ILE 15 6.250 2.655 0.684 88 HA ILE 15 HA ILE 15 6.502 5.524 0.626 89 HB ILE 15 HB ILE 15 4.509 3.772 -0.829 90 1HG1 ILE 15 2HG1 ILE 15 7.182 4.821 -1.791 91 2HG1 ILE 15 1HG1 ILE 15 6.866 3.157 -1.318 92 1HG2 ILE 15 1HG2 ILE 15 4.235 6.368 -0.557 93 2HG2 ILE 15 2HG2 ILE 15 3.933 5.589 -2.110 94 3HG2 ILE 15 3HG2 ILE 15 5.463 6.416 -1.821 95 1HD1 ILE 15 1HD1 ILE 15 6.862 3.463 -3.745 96 2HD1 ILE 15 2HD1 ILE 15 5.521 4.597 -3.591 97 3HD1 ILE 15 3HD1 ILE 15 5.301 2.906 -3.143 98 H CYS 16 H CYS 16 3.999 3.173 1.462 99 HA CYS 16 HA CYS 16 2.303 5.277 2.542 100 1HB CYS 16 2HB CYS 16 1.887 2.342 2.019 101 2HB CYS 16 1HB CYS 16 0.711 3.327 2.887 102 1HN NH2 17 1H CYS 16 4.573 5.103 3.994 103 2HN NH2 17 2H CYS 16 4.267 4.383 5.534
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