NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
553879 | 2lz5 | 18736 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 -8.116 5.736 -4.313 2 H2 GLY 1 H2 GLY 1 -8.112 4.108 -3.840 3 H3 GLY 1 H3 GLY 1 -7.167 4.598 -5.127 4 HA2 GLY 1 HA2 GLY 1 -5.802 5.917 -3.665 5 HA3 GLY 1 HA3 GLY 1 -6.813 5.398 -2.320 6 H CYS 2 H CYS 2 -4.171 4.686 -4.280 7 HA CYS 2 HA CYS 2 -4.051 1.888 -4.198 8 HB2 CYS 2 HB2 CYS 2 -2.665 3.494 -5.584 9 HB3 CYS 2 HB3 CYS 2 -1.751 3.792 -4.145 10 H CYS 3 H CYS 3 -2.537 4.301 -2.190 11 HA CYS 3 HA CYS 3 -1.387 2.327 -0.450 12 HB2 CYS 3 HB2 CYS 3 -0.377 4.594 -0.906 13 HB3 CYS 3 HB3 CYS 3 -1.611 5.277 0.143 14 H SER 4 H SER 4 -4.483 3.468 -0.641 15 HA SER 4 HA SER 4 -5.025 3.006 2.179 16 HB2 SER 4 HB2 SER 4 -6.051 4.970 0.990 17 HB3 SER 4 HB3 SER 4 -6.927 3.836 -0.035 18 HG SER 4 HG SER 4 -7.118 3.818 2.794 19 H ASP 5 H ASP 5 -4.870 1.389 -0.771 20 HA ASP 5 HA ASP 5 -6.819 -0.671 -0.054 21 HB2 ASP 5 HB2 ASP 5 -6.973 0.274 -2.335 22 HB3 ASP 5 HB3 ASP 5 -5.295 -0.151 -2.623 23 HA PRO 6 HA PRO 6 -3.362 -2.793 1.782 24 HB2 PRO 6 HB2 PRO 6 -5.033 -5.230 1.395 25 HB3 PRO 6 HB3 PRO 6 -4.261 -4.602 2.848 26 HG2 PRO 6 HG2 PRO 6 -6.906 -4.337 2.446 27 HG3 PRO 6 HG3 PRO 6 -5.947 -3.118 3.299 28 HD2 PRO 6 HD2 PRO 6 -7.075 -3.048 0.544 29 HD3 PRO 6 HD3 PRO 6 -6.802 -1.727 1.698 30 HA PRO 7 HA PRO 7 -2.162 -5.928 -1.678 31 HB2 PRO 7 HB2 PRO 7 -3.966 -5.135 -3.902 32 HB3 PRO 7 HB3 PRO 7 -3.418 -6.744 -3.402 33 HG2 PRO 7 HG2 PRO 7 -5.907 -6.017 -2.907 34 HG3 PRO 7 HG3 PRO 7 -4.964 -6.889 -1.686 35 HD2 PRO 7 HD2 PRO 7 -5.523 -3.952 -1.876 36 HD3 PRO 7 HD3 PRO 7 -5.671 -5.026 -0.469 37 H CYS 8 H CYS 8 -3.285 -2.716 -2.323 38 HA CYS 8 HA CYS 8 -1.139 -2.145 -4.226 39 HB2 CYS 8 HB2 CYS 8 -3.733 -1.421 -4.224 40 HB3 CYS 8 HB3 CYS 8 -3.103 -0.109 -3.248 41 H ARG 9 H ARG 9 -1.291 -2.472 -1.019 42 HA ARG 9 HA ARG 9 0.351 -0.079 -0.398 43 HB2 ARG 9 HB2 ARG 9 -1.965 -0.348 0.623 44 HB3 ARG 9 HB3 ARG 9 -1.317 -1.726 1.454 45 HG2 ARG 9 HG2 ARG 9 0.377 -0.336 2.517 46 HG3 ARG 9 HG3 ARG 9 -0.347 1.081 1.745 47 HD2 ARG 9 HD2 ARG 9 -1.186 0.862 4.028 48 HD3 ARG 9 HD3 ARG 9 -2.478 0.597 2.856 49 HE ARG 9 HE ARG 9 -1.076 -1.741 3.815 50 HH11 ARG 9 HH11 ARG 9 -4.006 0.264 4.170 51 HH12 ARG 9 HH12 ARG 9 -4.876 -0.963 4.958 52 HH21 ARG 9 HH21 ARG 9 -2.309 -3.381 4.875 53 HH22 ARG 9 HH22 ARG 9 -3.910 -3.058 5.364 54 H ASN 10 H ASN 10 -0.360 -3.371 0.547 55 HA ASN 10 HA ASN 10 1.966 -3.788 2.089 56 HB2 ASN 10 HB2 ASN 10 -0.006 -5.131 2.493 57 HB3 ASN 10 HB3 ASN 10 0.065 -5.794 0.870 58 HD21 ASN 10 HD21 ASN 10 1.343 -7.534 0.486 59 HD22 ASN 10 HD22 ASN 10 2.285 -8.335 1.685 60 H LYS 11 H LYS 11 1.502 -4.017 -1.304 61 HA LYS 11 HA LYS 11 3.923 -5.521 -1.710 62 HB2 LYS 11 HB2 LYS 11 1.934 -4.202 -3.523 63 HB3 LYS 11 HB3 LYS 11 3.333 -5.025 -4.121 64 HG2 LYS 11 HG2 LYS 11 2.537 -7.108 -2.958 65 HG3 LYS 11 HG3 LYS 11 1.088 -6.217 -2.496 66 HD2 LYS 11 HD2 LYS 11 0.568 -5.879 -4.878 67 HD3 LYS 11 HD3 LYS 11 1.988 -6.842 -5.305 68 HE2 LYS 11 HE2 LYS 11 1.036 -8.743 -4.052 69 HE3 LYS 11 HE3 LYS 11 -0.399 -7.780 -3.717 70 HZ1 LYS 11 HZ1 LYS 11 -0.791 -9.238 -5.546 71 HZ2 LYS 11 HZ2 LYS 11 0.534 -8.662 -6.399 72 HZ3 LYS 11 HZ3 LYS 11 -0.798 -7.668 -6.136 73 H HIS 12 H HIS 12 3.302 -2.501 -0.751 74 HA HIS 12 HA HIS 12 5.516 -1.296 -2.232 75 HB2 HIS 12 HB2 HIS 12 2.815 -0.068 -1.632 76 HB3 HIS 12 HB3 HIS 12 4.133 0.823 -2.354 77 HD1 HIS 12 HD1 HIS 12 4.723 0.103 -4.907 78 HD2 HIS 12 HD2 HIS 12 1.357 -1.658 -3.243 79 HE1 HIS 12 HE1 HIS 12 3.491 -1.026 -6.809 80 HA PRO 13 HA PRO 13 5.387 -0.919 2.509 81 HB2 PRO 13 HB2 PRO 13 7.567 -2.261 3.210 82 HB3 PRO 13 HB3 PRO 13 6.081 -3.101 2.740 83 HG2 PRO 13 HG2 PRO 13 8.543 -2.577 1.116 84 HG3 PRO 13 HG3 PRO 13 7.602 -4.071 1.266 85 HD2 PRO 13 HD2 PRO 13 7.334 -2.303 -0.810 86 HD3 PRO 13 HD3 PRO 13 6.039 -3.382 -0.261 87 H ASP 14 H ASP 14 7.373 0.270 0.164 88 HA ASP 14 HA ASP 14 9.320 1.511 1.906 89 HB2 ASP 14 HB2 ASP 14 9.998 0.930 -0.366 90 HB3 ASP 14 HB3 ASP 14 8.723 1.956 -1.019 91 H LEU 15 H LEU 15 6.634 2.608 -0.088 92 HA LEU 15 HA LEU 15 6.722 5.112 1.279 93 HB2 LEU 15 HB2 LEU 15 4.962 5.929 -0.225 94 HB3 LEU 15 HB3 LEU 15 6.335 5.311 -1.100 95 HG LEU 15 HG LEU 15 3.798 3.698 -0.742 96 HD11 LEU 15 HD11 LEU 15 3.231 5.814 -1.810 97 HD12 LEU 15 HD12 LEU 15 3.147 4.480 -2.961 98 HD13 LEU 15 HD13 LEU 15 4.528 5.576 -2.983 99 HD21 LEU 15 HD21 LEU 15 6.129 3.559 -2.656 100 HD22 LEU 15 HD22 LEU 15 4.615 2.725 -2.906 101 HD23 LEU 15 HD23 LEU 15 5.604 2.307 -1.514 102 H CYS 16 H CYS 16 4.774 2.182 1.228 103 HA CYS 16 HA CYS 16 3.091 3.344 3.259 104 HB2 CYS 16 HB2 CYS 16 2.602 1.154 1.270 105 HB3 CYS 16 HB3 CYS 16 1.480 1.793 2.459 106 HN1 NH2 17 HN1 NH2 17 4.503 2.643 4.942 107 HN2 NH2 17 HN2 NH2 17 4.767 0.972 5.288 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -7.866 3.950 -4.333 2 H2 GLY 1 H2 GLY 1 -7.937 5.569 -3.857 3 H3 GLY 1 H3 GLY 1 -7.469 4.368 -2.759 4 HA2 GLY 1 HA2 GLY 1 -5.963 5.101 -5.176 5 HA3 GLY 1 HA3 GLY 1 -5.537 5.557 -3.531 6 H CYS 2 H CYS 2 -3.585 4.407 -3.652 7 HA CYS 2 HA CYS 2 -3.865 1.463 -3.743 8 HB2 CYS 2 HB2 CYS 2 -2.580 2.712 -5.569 9 HB3 CYS 2 HB3 CYS 2 -1.426 3.065 -4.331 10 H CYS 3 H CYS 3 -2.271 4.223 -2.432 11 HA CYS 3 HA CYS 3 -0.593 2.910 -0.586 12 HB2 CYS 3 HB2 CYS 3 -0.418 5.319 -1.406 13 HB3 CYS 3 HB3 CYS 3 -1.646 5.709 -0.205 14 H SER 4 H SER 4 -3.950 3.739 -0.411 15 HA SER 4 HA SER 4 -4.016 2.834 2.376 16 HB2 SER 4 HB2 SER 4 -4.881 5.165 1.819 17 HB3 SER 4 HB3 SER 4 -6.153 4.395 0.879 18 HG SER 4 HG SER 4 -5.623 4.155 3.633 19 H ASP 5 H ASP 5 -3.947 1.331 -0.314 20 HA ASP 5 HA ASP 5 -6.417 -0.228 0.053 21 HB2 ASP 5 HB2 ASP 5 -6.302 0.881 -2.172 22 HB3 ASP 5 HB3 ASP 5 -4.758 0.084 -2.459 23 HA PRO 6 HA PRO 6 -3.287 -2.892 1.927 24 HB2 PRO 6 HB2 PRO 6 -5.636 -4.746 1.814 25 HB3 PRO 6 HB3 PRO 6 -4.510 -4.429 3.132 26 HG2 PRO 6 HG2 PRO 6 -6.927 -3.321 3.140 27 HG3 PRO 6 HG3 PRO 6 -5.505 -2.433 3.714 28 HD2 PRO 6 HD2 PRO 6 -7.035 -2.119 1.179 29 HD3 PRO 6 HD3 PRO 6 -6.175 -0.897 2.135 30 HA PRO 7 HA PRO 7 -3.661 -6.519 -1.453 31 HB2 PRO 7 HB2 PRO 7 -4.942 -4.808 -3.538 32 HB3 PRO 7 HB3 PRO 7 -5.052 -6.560 -3.310 33 HG2 PRO 7 HG2 PRO 7 -7.062 -5.047 -2.564 34 HG3 PRO 7 HG3 PRO 7 -6.507 -6.346 -1.492 35 HD2 PRO 7 HD2 PRO 7 -6.014 -3.404 -1.307 36 HD3 PRO 7 HD3 PRO 7 -6.379 -4.570 -0.019 37 H CYS 8 H CYS 8 -3.331 -3.092 -2.530 38 HA CYS 8 HA CYS 8 -0.869 -3.977 -3.818 39 HB2 CYS 8 HB2 CYS 8 -0.871 -1.960 -5.145 40 HB3 CYS 8 HB3 CYS 8 -2.436 -2.747 -5.278 41 H ARG 9 H ARG 9 -1.931 -2.303 -1.094 42 HA ARG 9 HA ARG 9 0.194 -0.512 -0.588 43 HB2 ARG 9 HB2 ARG 9 -2.088 -1.052 0.638 44 HB3 ARG 9 HB3 ARG 9 -1.097 -2.154 1.541 45 HG2 ARG 9 HG2 ARG 9 -0.451 0.732 1.298 46 HG3 ARG 9 HG3 ARG 9 -1.451 0.109 2.622 47 HD2 ARG 9 HD2 ARG 9 1.447 -0.476 1.983 48 HD3 ARG 9 HD3 ARG 9 0.831 0.372 3.395 49 HE ARG 9 HE ARG 9 -0.289 -2.160 3.390 50 HH11 ARG 9 HH11 ARG 9 2.871 -0.639 3.890 51 HH12 ARG 9 HH12 ARG 9 3.538 -2.017 4.669 52 HH21 ARG 9 HH21 ARG 9 0.691 -4.042 4.442 53 HH22 ARG 9 HH22 ARG 9 2.304 -3.942 4.979 54 H ASN 10 H ASN 10 -0.252 -3.876 0.118 55 HA ASN 10 HA ASN 10 2.214 -4.333 1.428 56 HB2 ASN 10 HB2 ASN 10 0.428 -6.232 -0.072 57 HB3 ASN 10 HB3 ASN 10 1.925 -6.772 0.672 58 HD21 ASN 10 HD21 ASN 10 0.829 -8.132 2.067 59 HD22 ASN 10 HD22 ASN 10 -0.078 -7.554 3.405 60 H LYS 11 H LYS 11 1.664 -3.659 -1.859 61 HA LYS 11 HA LYS 11 4.074 -4.896 -2.847 62 HB2 LYS 11 HB2 LYS 11 2.011 -3.076 -4.072 63 HB3 LYS 11 HB3 LYS 11 3.283 -3.828 -4.951 64 HG2 LYS 11 HG2 LYS 11 2.357 -6.050 -4.472 65 HG3 LYS 11 HG3 LYS 11 1.092 -5.308 -3.488 66 HD2 LYS 11 HD2 LYS 11 0.297 -4.102 -5.496 67 HD3 LYS 11 HD3 LYS 11 1.523 -4.926 -6.449 68 HE2 LYS 11 HE2 LYS 11 0.526 -7.079 -5.886 69 HE3 LYS 11 HE3 LYS 11 -0.692 -6.265 -4.906 70 HZ1 LYS 11 HZ1 LYS 11 -0.340 -5.957 -7.845 71 HZ2 LYS 11 HZ2 LYS 11 -1.494 -5.161 -6.936 72 HZ3 LYS 11 HZ3 LYS 11 -1.545 -6.824 -7.087 73 H HIS 12 H HIS 12 3.056 -2.107 -1.255 74 HA HIS 12 HA HIS 12 5.338 -0.510 -2.198 75 HB2 HIS 12 HB2 HIS 12 2.492 0.362 -1.770 76 HB3 HIS 12 HB3 HIS 12 3.782 1.496 -2.063 77 HD1 HIS 12 HD1 HIS 12 5.000 1.035 -4.599 78 HD2 HIS 12 HD2 HIS 12 1.250 -0.559 -3.835 79 HE1 HIS 12 HE1 HIS 12 4.069 0.362 -6.841 80 HA PRO 13 HA PRO 13 4.452 -0.610 2.560 81 HB2 PRO 13 HB2 PRO 13 6.435 -2.157 3.505 82 HB3 PRO 13 HB3 PRO 13 4.925 -2.855 2.905 83 HG2 PRO 13 HG2 PRO 13 7.567 -2.598 1.518 84 HG3 PRO 13 HG3 PRO 13 6.474 -3.994 1.586 85 HD2 PRO 13 HD2 PRO 13 6.568 -2.291 -0.532 86 HD3 PRO 13 HD3 PRO 13 5.094 -3.148 -0.047 87 H ASP 14 H ASP 14 6.957 0.018 0.511 88 HA ASP 14 HA ASP 14 8.989 1.075 2.138 89 HB2 ASP 14 HB2 ASP 14 9.231 0.437 -0.223 90 HB3 ASP 14 HB3 ASP 14 8.232 1.805 -0.680 91 H LEU 15 H LEU 15 6.654 2.809 0.124 92 HA LEU 15 HA LEU 15 7.098 5.127 1.720 93 HB2 LEU 15 HB2 LEU 15 5.862 6.427 0.096 94 HB3 LEU 15 HB3 LEU 15 7.041 5.432 -0.718 95 HG LEU 15 HG LEU 15 4.073 4.817 -0.611 96 HD11 LEU 15 HD11 LEU 15 4.470 6.887 -1.804 97 HD12 LEU 15 HD12 LEU 15 3.998 5.603 -2.915 98 HD13 LEU 15 HD13 LEU 15 5.688 6.096 -2.805 99 HD21 LEU 15 HD21 LEU 15 6.326 3.632 -2.243 100 HD22 LEU 15 HD22 LEU 15 4.621 3.391 -2.577 101 HD23 LEU 15 HD23 LEU 15 5.294 2.793 -1.068 102 H CYS 16 H CYS 16 4.572 2.720 1.200 103 HA CYS 16 HA CYS 16 2.837 4.207 2.925 104 HB2 CYS 16 HB2 CYS 16 2.424 1.801 1.178 105 HB3 CYS 16 HB3 CYS 16 1.189 2.653 2.094 106 HN1 NH2 17 HN1 NH2 17 3.846 3.758 4.858 107 HN2 NH2 17 HN2 NH2 17 3.960 2.177 5.541 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -7.064 5.150 -3.476 2 H2 GLY 1 H2 GLY 1 -6.675 6.770 -3.256 3 H3 GLY 1 H3 GLY 1 -6.334 5.630 -2.034 4 HA2 GLY 1 HA2 GLY 1 -5.118 5.703 -4.722 5 HA3 GLY 1 HA3 GLY 1 -4.329 6.192 -3.225 6 H CYS 2 H CYS 2 -2.905 4.446 -4.273 7 HA CYS 2 HA CYS 2 -3.587 1.697 -4.184 8 HB2 CYS 2 HB2 CYS 2 -1.677 2.780 -5.402 9 HB3 CYS 2 HB3 CYS 2 -0.913 3.007 -3.866 10 H CYS 3 H CYS 3 -2.004 3.881 -2.093 11 HA CYS 3 HA CYS 3 -1.411 2.020 -0.027 12 HB2 CYS 3 HB2 CYS 3 -0.134 4.102 -0.378 13 HB3 CYS 3 HB3 CYS 3 -1.514 5.040 0.147 14 H SER 4 H SER 4 -4.338 3.451 -0.934 15 HA SER 4 HA SER 4 -5.509 3.418 1.699 16 HB2 SER 4 HB2 SER 4 -6.858 3.692 -0.978 17 HB3 SER 4 HB3 SER 4 -7.404 4.272 0.597 18 HG SER 4 HG SER 4 -5.109 5.365 0.310 19 H ASP 5 H ASP 5 -4.674 1.215 -0.673 20 HA ASP 5 HA ASP 5 -6.814 -0.665 0.058 21 HB2 ASP 5 HB2 ASP 5 -7.007 -0.043 -2.276 22 HB3 ASP 5 HB3 ASP 5 -5.299 -0.365 -2.544 23 HA PRO 6 HA PRO 6 -3.284 -2.514 2.079 24 HB2 PRO 6 HB2 PRO 6 -5.091 -4.883 2.239 25 HB3 PRO 6 HB3 PRO 6 -4.154 -4.081 3.496 26 HG2 PRO 6 HG2 PRO 6 -6.797 -3.701 3.302 27 HG3 PRO 6 HG3 PRO 6 -5.696 -2.410 3.810 28 HD2 PRO 6 HD2 PRO 6 -7.077 -2.799 1.194 29 HD3 PRO 6 HD3 PRO 6 -6.669 -1.296 2.049 30 HA PRO 7 HA PRO 7 -2.560 -6.313 -0.870 31 HB2 PRO 7 HB2 PRO 7 -4.472 -5.716 -3.070 32 HB3 PRO 7 HB3 PRO 7 -3.984 -7.279 -2.406 33 HG2 PRO 7 HG2 PRO 7 -6.371 -6.311 -1.844 34 HG3 PRO 7 HG3 PRO 7 -5.408 -7.089 -0.574 35 HD2 PRO 7 HD2 PRO 7 -5.818 -4.165 -1.105 36 HD3 PRO 7 HD3 PRO 7 -5.871 -5.040 0.440 37 H CYS 8 H CYS 8 -3.604 -3.213 -2.197 38 HA CYS 8 HA CYS 8 -1.555 -3.181 -4.212 39 HB2 CYS 8 HB2 CYS 8 -3.795 -1.909 -4.289 40 HB3 CYS 8 HB3 CYS 8 -3.084 -0.795 -3.136 41 H ARG 9 H ARG 9 -2.051 -1.694 -1.050 42 HA ARG 9 HA ARG 9 0.252 -0.065 -0.821 43 HB2 ARG 9 HB2 ARG 9 -1.893 -0.216 0.545 44 HB3 ARG 9 HB3 ARG 9 -1.165 -1.565 1.329 45 HG2 ARG 9 HG2 ARG 9 0.683 -0.245 2.163 46 HG3 ARG 9 HG3 ARG 9 0.037 1.194 1.372 47 HD2 ARG 9 HD2 ARG 9 -0.564 1.151 3.754 48 HD3 ARG 9 HD3 ARG 9 -1.995 1.039 2.729 49 HE ARG 9 HE ARG 9 -0.894 -1.474 3.506 50 HH11 ARG 9 HH11 ARG 9 -3.193 1.055 4.510 51 HH12 ARG 9 HH12 ARG 9 -4.099 0.010 5.500 52 HH21 ARG 9 HH21 ARG 9 -2.169 -2.884 4.870 53 HH22 ARG 9 HH22 ARG 9 -3.505 -2.264 5.709 54 H ASN 10 H ASN 10 -0.427 -3.314 -0.060 55 HA ASN 10 HA ASN 10 1.889 -4.091 1.316 56 HB2 ASN 10 HB2 ASN 10 -0.104 -5.513 1.231 57 HB3 ASN 10 HB3 ASN 10 0.160 -5.809 -0.479 58 HD21 ASN 10 HD21 ASN 10 1.618 -7.367 -1.086 59 HD22 ASN 10 HD22 ASN 10 2.429 -8.396 0.023 60 H LYS 11 H LYS 11 1.581 -3.435 -2.047 61 HA LYS 11 HA LYS 11 4.015 -4.810 -2.746 62 HB2 LYS 11 HB2 LYS 11 2.176 -2.975 -4.253 63 HB3 LYS 11 HB3 LYS 11 3.525 -3.808 -4.951 64 HG2 LYS 11 HG2 LYS 11 2.459 -5.975 -4.346 65 HG3 LYS 11 HG3 LYS 11 1.068 -5.067 -3.749 66 HD2 LYS 11 HD2 LYS 11 0.765 -4.105 -5.982 67 HD3 LYS 11 HD3 LYS 11 2.121 -5.067 -6.567 68 HE2 LYS 11 HE2 LYS 11 0.058 -6.186 -7.152 69 HE3 LYS 11 HE3 LYS 11 0.905 -7.119 -5.924 70 HZ1 LYS 11 HZ1 LYS 11 -1.439 -6.996 -5.422 71 HZ2 LYS 11 HZ2 LYS 11 -1.428 -5.336 -5.487 72 HZ3 LYS 11 HZ3 LYS 11 -0.599 -6.129 -4.245 73 H HIS 12 H HIS 12 3.163 -1.987 -1.241 74 HA HIS 12 HA HIS 12 5.508 -0.526 -2.210 75 HB2 HIS 12 HB2 HIS 12 2.715 0.514 -1.785 76 HB3 HIS 12 HB3 HIS 12 4.079 1.562 -2.097 77 HD1 HIS 12 HD1 HIS 12 5.223 1.152 -4.574 78 HD2 HIS 12 HD2 HIS 12 1.499 -0.542 -3.912 79 HE1 HIS 12 HE1 HIS 12 4.333 0.488 -6.848 80 HA PRO 13 HA PRO 13 4.775 -0.563 2.560 81 HB2 PRO 13 HB2 PRO 13 7.038 -2.353 2.958 82 HB3 PRO 13 HB3 PRO 13 5.354 -2.593 3.433 83 HG2 PRO 13 HG2 PRO 13 6.561 -4.058 1.496 84 HG3 PRO 13 HG3 PRO 13 4.826 -3.695 1.497 85 HD2 PRO 13 HD2 PRO 13 7.034 -2.355 -0.027 86 HD3 PRO 13 HD3 PRO 13 5.423 -2.857 -0.592 87 H ASP 14 H ASP 14 7.371 -0.194 0.432 88 HA ASP 14 HA ASP 14 9.303 0.970 2.145 89 HB2 ASP 14 HB2 ASP 14 9.967 0.220 -0.060 90 HB3 ASP 14 HB3 ASP 14 8.833 1.337 -0.816 91 H LEU 15 H LEU 15 6.678 2.306 0.211 92 HA LEU 15 HA LEU 15 7.314 4.853 1.294 93 HB2 LEU 15 HB2 LEU 15 5.544 5.759 -0.262 94 HB3 LEU 15 HB3 LEU 15 6.925 5.018 -1.024 95 HG LEU 15 HG LEU 15 5.354 2.932 -1.192 96 HD11 LEU 15 HD11 LEU 15 3.536 3.781 0.143 97 HD12 LEU 15 HD12 LEU 15 3.010 3.501 -1.517 98 HD13 LEU 15 HD13 LEU 15 3.334 5.142 -0.959 99 HD21 LEU 15 HD21 LEU 15 6.260 4.136 -3.091 100 HD22 LEU 15 HD22 LEU 15 5.014 5.370 -2.920 101 HD23 LEU 15 HD23 LEU 15 4.568 3.725 -3.372 102 H CYS 16 H CYS 16 4.720 2.448 1.530 103 HA CYS 16 HA CYS 16 3.688 4.007 3.732 104 HB2 CYS 16 HB2 CYS 16 2.477 2.140 1.761 105 HB3 CYS 16 HB3 CYS 16 1.700 2.438 3.304 106 HN1 NH2 17 HN1 NH2 17 5.051 3.193 5.279 107 HN2 NH2 17 HN2 NH2 17 5.078 1.534 5.760 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -5.191 7.493 -4.101 2 H2 GLY 1 H2 GLY 1 -5.856 6.216 -3.202 3 H3 GLY 1 H3 GLY 1 -5.275 5.943 -4.761 4 HA2 GLY 1 HA2 GLY 1 -3.048 6.413 -4.074 5 HA3 GLY 1 HA3 GLY 1 -3.631 6.747 -2.454 6 H CYS 2 H CYS 2 -1.762 4.706 -3.549 7 HA CYS 2 HA CYS 2 -2.961 2.114 -3.558 8 HB2 CYS 2 HB2 CYS 2 -0.761 3.008 -4.512 9 HB3 CYS 2 HB3 CYS 2 -0.147 2.839 -2.909 10 H CYS 3 H CYS 3 -1.603 4.215 -1.307 11 HA CYS 3 HA CYS 3 -1.184 2.438 0.844 12 HB2 CYS 3 HB2 CYS 3 -0.185 4.693 0.766 13 HB3 CYS 3 HB3 CYS 3 -1.766 5.413 0.995 14 H SER 4 H SER 4 -4.133 3.791 -0.413 15 HA SER 4 HA SER 4 -5.586 2.994 1.978 16 HB2 SER 4 HB2 SER 4 -6.155 5.189 0.964 17 HB3 SER 4 HB3 SER 4 -6.590 4.368 -0.532 18 HG SER 4 HG SER 4 -8.086 3.147 0.857 19 H ASP 5 H ASP 5 -4.364 1.421 -0.583 20 HA ASP 5 HA ASP 5 -6.642 -0.413 -0.713 21 HB2 ASP 5 HB2 ASP 5 -6.253 0.625 -2.925 22 HB3 ASP 5 HB3 ASP 5 -4.566 0.123 -2.862 23 HA PRO 6 HA PRO 6 -3.463 -2.492 1.741 24 HB2 PRO 6 HB2 PRO 6 -5.652 -4.526 1.711 25 HB3 PRO 6 HB3 PRO 6 -4.645 -3.963 3.045 26 HG2 PRO 6 HG2 PRO 6 -7.128 -3.070 2.806 27 HG3 PRO 6 HG3 PRO 6 -5.818 -1.985 3.301 28 HD2 PRO 6 HD2 PRO 6 -7.191 -2.206 0.657 29 HD3 PRO 6 HD3 PRO 6 -6.584 -0.765 1.500 30 HA PRO 7 HA PRO 7 -3.417 -6.405 -1.270 31 HB2 PRO 7 HB2 PRO 7 -4.768 -5.095 -3.574 32 HB3 PRO 7 HB3 PRO 7 -4.747 -6.800 -3.103 33 HG2 PRO 7 HG2 PRO 7 -6.897 -5.355 -2.631 34 HG3 PRO 7 HG3 PRO 7 -6.296 -6.472 -1.390 35 HD2 PRO 7 HD2 PRO 7 -6.010 -3.504 -1.562 36 HD3 PRO 7 HD3 PRO 7 -6.358 -4.522 -0.151 37 H CYS 8 H CYS 8 -3.365 -3.079 -2.728 38 HA CYS 8 HA CYS 8 -0.895 -3.868 -4.017 39 HB2 CYS 8 HB2 CYS 8 -0.893 -1.804 -5.208 40 HB3 CYS 8 HB3 CYS 8 -2.565 -2.323 -5.181 41 H ARG 9 H ARG 9 -1.923 -2.025 -1.286 42 HA ARG 9 HA ARG 9 0.292 -0.489 -0.613 43 HB2 ARG 9 HB2 ARG 9 -1.977 -0.657 0.483 44 HB3 ARG 9 HB3 ARG 9 -1.363 -2.053 1.298 45 HG2 ARG 9 HG2 ARG 9 0.311 -0.898 2.437 46 HG3 ARG 9 HG3 ARG 9 0.057 0.545 1.462 47 HD2 ARG 9 HD2 ARG 9 -0.916 0.823 3.693 48 HD3 ARG 9 HD3 ARG 9 -2.145 0.864 2.442 49 HE ARG 9 HE ARG 9 -1.718 -1.676 3.778 50 HH11 ARG 9 HH11 ARG 9 -3.715 1.262 3.458 51 HH12 ARG 9 HH12 ARG 9 -4.971 0.680 4.443 52 HH21 ARG 9 HH21 ARG 9 -3.465 -2.446 5.155 53 HH22 ARG 9 HH22 ARG 9 -4.826 -1.470 5.445 54 H ASN 10 H ASN 10 -0.408 -3.755 0.206 55 HA ASN 10 HA ASN 10 1.915 -4.257 1.746 56 HB2 ASN 10 HB2 ASN 10 0.139 -6.213 0.292 57 HB3 ASN 10 HB3 ASN 10 1.552 -6.747 1.188 58 HD21 ASN 10 HD21 ASN 10 1.501 -6.677 3.448 59 HD22 ASN 10 HD22 ASN 10 0.040 -6.417 4.315 60 H LYS 11 H LYS 11 1.647 -3.963 -1.659 61 HA LYS 11 HA LYS 11 4.120 -5.336 -2.210 62 HB2 LYS 11 HB2 LYS 11 2.231 -3.725 -3.922 63 HB3 LYS 11 HB3 LYS 11 3.625 -4.564 -4.504 64 HG2 LYS 11 HG2 LYS 11 2.625 -6.721 -3.808 65 HG3 LYS 11 HG3 LYS 11 1.201 -5.845 -3.239 66 HD2 LYS 11 HD2 LYS 11 0.757 -5.060 -5.503 67 HD3 LYS 11 HD3 LYS 11 2.221 -5.856 -6.080 68 HE2 LYS 11 HE2 LYS 11 0.322 -7.240 -6.637 69 HE3 LYS 11 HE3 LYS 11 1.260 -8.025 -5.374 70 HZ1 LYS 11 HZ1 LYS 11 -0.376 -7.187 -3.749 71 HZ2 LYS 11 HZ2 LYS 11 -1.043 -8.216 -4.869 72 HZ3 LYS 11 HZ3 LYS 11 -1.295 -6.553 -5.008 73 H HIS 12 H HIS 12 3.198 -2.402 -0.949 74 HA HIS 12 HA HIS 12 5.504 -1.011 -2.108 75 HB2 HIS 12 HB2 HIS 12 2.707 0.033 -1.834 76 HB3 HIS 12 HB3 HIS 12 4.051 1.082 -2.204 77 HD1 HIS 12 HD1 HIS 12 5.273 0.452 -4.635 78 HD2 HIS 12 HD2 HIS 12 1.582 -1.224 -3.793 79 HE1 HIS 12 HE1 HIS 12 4.435 -0.526 -6.822 80 HA PRO 13 HA PRO 13 5.237 -0.594 2.586 81 HB2 PRO 13 HB2 PRO 13 7.943 -1.716 2.601 82 HB3 PRO 13 HB3 PRO 13 6.507 -2.281 3.457 83 HG2 PRO 13 HG2 PRO 13 7.573 -3.682 1.415 84 HG3 PRO 13 HG3 PRO 13 5.825 -3.624 1.701 85 HD2 PRO 13 HD2 PRO 13 7.465 -2.059 -0.250 86 HD3 PRO 13 HD3 PRO 13 5.930 -2.921 -0.510 87 H ASP 14 H ASP 14 7.352 0.165 0.081 88 HA ASP 14 HA ASP 14 9.311 1.772 1.201 89 HB2 ASP 14 HB2 ASP 14 9.454 1.110 -1.096 90 HB3 ASP 14 HB3 ASP 14 7.956 1.944 -1.487 91 H LEU 15 H LEU 15 6.205 2.754 -0.123 92 HA LEU 15 HA LEU 15 6.599 5.293 1.150 93 HB2 LEU 15 HB2 LEU 15 4.728 6.209 -0.142 94 HB3 LEU 15 HB3 LEU 15 5.977 5.546 -1.159 95 HG LEU 15 HG LEU 15 3.454 3.984 -0.571 96 HD11 LEU 15 HD11 LEU 15 3.935 5.970 -2.794 97 HD12 LEU 15 HD12 LEU 15 2.783 6.158 -1.472 98 HD13 LEU 15 HD13 LEU 15 2.556 4.880 -2.664 99 HD21 LEU 15 HD21 LEU 15 5.463 3.965 -2.821 100 HD22 LEU 15 HD22 LEU 15 3.976 3.040 -2.794 101 HD23 LEU 15 HD23 LEU 15 5.242 2.690 -1.614 102 H CYS 16 H CYS 16 4.445 2.535 1.261 103 HA CYS 16 HA CYS 16 3.344 3.680 3.678 104 HB2 CYS 16 HB2 CYS 16 1.749 4.276 1.929 105 HB3 CYS 16 HB3 CYS 16 1.661 2.603 1.401 106 HN1 NH2 17 HN1 NH2 17 2.353 0.778 1.884 107 HN2 NH2 17 HN2 NH2 17 2.924 -0.334 3.066 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -5.667 6.156 -0.572 2 H2 GLY 1 H2 GLY 1 -7.130 5.899 -1.337 3 H3 GLY 1 H3 GLY 1 -6.476 7.453 -1.294 4 HA2 GLY 1 HA2 GLY 1 -6.177 6.500 -3.469 5 HA3 GLY 1 HA3 GLY 1 -4.622 6.670 -2.650 6 H CYS 2 H CYS 2 -3.935 4.966 -4.181 7 HA CYS 2 HA CYS 2 -5.022 2.296 -3.888 8 HB2 CYS 2 HB2 CYS 2 -3.692 3.446 -5.869 9 HB3 CYS 2 HB3 CYS 2 -2.299 2.913 -4.971 10 H CYS 3 H CYS 3 -2.499 4.206 -2.726 11 HA CYS 3 HA CYS 3 -0.900 2.406 -1.278 12 HB2 CYS 3 HB2 CYS 3 -0.228 4.697 -1.848 13 HB3 CYS 3 HB3 CYS 3 -1.476 5.340 -0.793 14 H SER 4 H SER 4 -4.055 3.620 -0.653 15 HA SER 4 HA SER 4 -4.006 3.146 2.196 16 HB2 SER 4 HB2 SER 4 -6.310 3.939 0.456 17 HB3 SER 4 HB3 SER 4 -6.008 4.318 2.155 18 HG SER 4 HG SER 4 -4.190 5.551 1.440 19 H ASP 5 H ASP 5 -4.339 1.337 -0.583 20 HA ASP 5 HA ASP 5 -6.472 -0.368 0.475 21 HB2 ASP 5 HB2 ASP 5 -6.877 0.511 -1.794 22 HB3 ASP 5 HB3 ASP 5 -5.345 -0.159 -2.334 23 HA PRO 6 HA PRO 6 -3.267 -2.991 2.009 24 HB2 PRO 6 HB2 PRO 6 -5.316 -5.140 1.622 25 HB3 PRO 6 HB3 PRO 6 -4.335 -4.753 3.029 26 HG2 PRO 6 HG2 PRO 6 -6.901 -4.026 2.897 27 HG3 PRO 6 HG3 PRO 6 -5.679 -3.022 3.692 28 HD2 PRO 6 HD2 PRO 6 -7.044 -2.625 1.079 29 HD3 PRO 6 HD3 PRO 6 -6.409 -1.430 2.229 30 HA PRO 7 HA PRO 7 -2.660 -6.223 -1.553 31 HB2 PRO 7 HB2 PRO 7 -4.428 -5.190 -3.700 32 HB3 PRO 7 HB3 PRO 7 -4.107 -6.860 -3.223 33 HG2 PRO 7 HG2 PRO 7 -6.432 -5.732 -2.643 34 HG3 PRO 7 HG3 PRO 7 -5.624 -6.793 -1.474 35 HD2 PRO 7 HD2 PRO 7 -5.726 -3.799 -1.559 36 HD3 PRO 7 HD3 PRO 7 -5.952 -4.883 -0.173 37 H CYS 8 H CYS 8 -3.329 -2.869 -2.071 38 HA CYS 8 HA CYS 8 -1.148 -2.671 -4.008 39 HB2 CYS 8 HB2 CYS 8 -3.414 -1.735 -4.595 40 HB3 CYS 8 HB3 CYS 8 -3.235 -0.604 -3.267 41 H ARG 9 H ARG 9 -1.370 -2.781 -0.880 42 HA ARG 9 HA ARG 9 0.442 -0.505 -0.334 43 HB2 ARG 9 HB2 ARG 9 -1.785 -0.735 0.852 44 HB3 ARG 9 HB3 ARG 9 -1.129 -2.156 1.588 45 HG2 ARG 9 HG2 ARG 9 0.642 -0.971 2.644 46 HG3 ARG 9 HG3 ARG 9 0.157 0.512 1.818 47 HD2 ARG 9 HD2 ARG 9 -0.626 0.457 4.163 48 HD3 ARG 9 HD3 ARG 9 -1.952 0.546 3.007 49 HE ARG 9 HE ARG 9 -1.210 -2.102 3.874 50 HH11 ARG 9 HH11 ARG 9 -3.305 0.683 4.556 51 HH12 ARG 9 HH12 ARG 9 -4.527 -0.212 5.317 52 HH21 ARG 9 HH21 ARG 9 -2.919 -3.356 4.939 53 HH22 ARG 9 HH22 ARG 9 -4.300 -2.557 5.502 54 H ASN 10 H ASN 10 -0.291 -3.795 0.218 55 HA ASN 10 HA ASN 10 1.971 -4.700 1.606 56 HB2 ASN 10 HB2 ASN 10 -0.032 -6.074 1.310 57 HB3 ASN 10 HB3 ASN 10 0.275 -6.183 -0.414 58 HD21 ASN 10 HD21 ASN 10 1.164 -7.323 2.735 59 HD22 ASN 10 HD22 ASN 10 2.116 -8.654 2.184 60 H LYS 11 H LYS 11 1.593 -3.940 -1.718 61 HA LYS 11 HA LYS 11 4.104 -5.094 -2.538 62 HB2 LYS 11 HB2 LYS 11 1.995 -3.502 -3.961 63 HB3 LYS 11 HB3 LYS 11 3.396 -4.179 -4.713 64 HG2 LYS 11 HG2 LYS 11 1.178 -5.736 -3.380 65 HG3 LYS 11 HG3 LYS 11 1.449 -5.592 -5.117 66 HD2 LYS 11 HD2 LYS 11 3.627 -6.727 -4.847 67 HD3 LYS 11 HD3 LYS 11 3.310 -6.889 -3.122 68 HE2 LYS 11 HE2 LYS 11 2.802 -8.957 -4.260 69 HE3 LYS 11 HE3 LYS 11 1.330 -8.239 -3.619 70 HZ1 LYS 11 HZ1 LYS 11 1.031 -9.103 -5.851 71 HZ2 LYS 11 HZ2 LYS 11 2.220 -8.070 -6.456 72 HZ3 LYS 11 HZ3 LYS 11 0.796 -7.441 -5.835 73 H HIS 12 H HIS 12 3.309 -2.380 -0.856 74 HA HIS 12 HA HIS 12 5.456 -0.813 -2.086 75 HB2 HIS 12 HB2 HIS 12 2.646 0.211 -1.639 76 HB3 HIS 12 HB3 HIS 12 3.997 1.245 -2.056 77 HD1 HIS 12 HD1 HIS 12 5.088 0.645 -4.539 78 HD2 HIS 12 HD2 HIS 12 1.356 -0.903 -3.636 79 HE1 HIS 12 HE1 HIS 12 4.125 -0.120 -6.736 80 HA PRO 13 HA PRO 13 4.851 -0.701 2.624 81 HB2 PRO 13 HB2 PRO 13 7.296 -2.188 3.041 82 HB3 PRO 13 HB3 PRO 13 5.652 -2.628 3.505 83 HG2 PRO 13 HG2 PRO 13 7.074 -3.931 1.572 84 HG3 PRO 13 HG3 PRO 13 5.303 -3.849 1.594 85 HD2 PRO 13 HD2 PRO 13 7.271 -2.250 0.003 86 HD3 PRO 13 HD3 PRO 13 5.714 -2.946 -0.501 87 H ASP 14 H ASP 14 7.464 -0.035 0.524 88 HA ASP 14 HA ASP 14 9.126 1.283 2.410 89 HB2 ASP 14 HB2 ASP 14 10.049 0.565 0.252 90 HB3 ASP 14 HB3 ASP 14 9.024 1.734 -0.581 91 H LEU 15 H LEU 15 6.601 2.421 0.267 92 HA LEU 15 HA LEU 15 6.899 5.014 1.432 93 HB2 LEU 15 HB2 LEU 15 5.187 5.822 -0.215 94 HB3 LEU 15 HB3 LEU 15 6.670 5.235 -0.917 95 HG LEU 15 HG LEU 15 4.250 3.434 -0.807 96 HD11 LEU 15 HD11 LEU 15 3.502 5.565 -1.806 97 HD12 LEU 15 HD12 LEU 15 3.582 4.273 -2.998 98 HD13 LEU 15 HD13 LEU 15 4.853 5.494 -2.941 99 HD21 LEU 15 HD21 LEU 15 6.370 2.428 -1.507 100 HD22 LEU 15 HD22 LEU 15 6.602 3.727 -2.667 101 HD23 LEU 15 HD23 LEU 15 5.289 2.583 -2.895 102 H CYS 16 H CYS 16 4.366 2.518 1.024 103 HA CYS 16 HA CYS 16 2.579 3.985 2.689 104 HB2 CYS 16 HB2 CYS 16 2.375 1.291 1.363 105 HB3 CYS 16 HB3 CYS 16 1.084 2.249 2.085 106 HN1 NH2 17 HN1 NH2 17 3.442 3.859 4.716 107 HN2 NH2 17 HN2 NH2 17 3.709 2.388 5.589 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -6.190 6.488 -4.409 2 H2 GLY 1 H2 GLY 1 -4.551 6.825 -4.580 3 H3 GLY 1 H3 GLY 1 -5.573 7.956 -3.850 4 HA2 GLY 1 HA2 GLY 1 -4.271 6.796 -2.198 5 HA3 GLY 1 HA3 GLY 1 -5.999 6.474 -2.031 6 H CYS 2 H CYS 2 -2.991 5.204 -3.370 7 HA CYS 2 HA CYS 2 -4.189 2.623 -3.913 8 HB2 CYS 2 HB2 CYS 2 -2.238 3.944 -5.088 9 HB3 CYS 2 HB3 CYS 2 -1.267 3.136 -3.895 10 H CYS 3 H CYS 3 -2.145 4.150 -1.623 11 HA CYS 3 HA CYS 3 -1.366 1.805 -0.198 12 HB2 CYS 3 HB2 CYS 3 -0.055 3.895 -0.099 13 HB3 CYS 3 HB3 CYS 3 -1.376 4.689 0.738 14 H SER 4 H SER 4 -4.288 3.469 -0.329 15 HA SER 4 HA SER 4 -5.170 2.661 2.303 16 HB2 SER 4 HB2 SER 4 -5.894 4.818 1.206 17 HB3 SER 4 HB3 SER 4 -6.760 3.855 0.021 18 HG SER 4 HG SER 4 -8.265 4.283 1.497 19 H ASP 5 H ASP 5 -4.723 1.258 -0.646 20 HA ASP 5 HA ASP 5 -6.855 -0.719 -0.342 21 HB2 ASP 5 HB2 ASP 5 -6.806 0.235 -2.554 22 HB3 ASP 5 HB3 ASP 5 -5.062 0.064 -2.652 23 HA PRO 6 HA PRO 6 -3.587 -2.937 1.765 24 HB2 PRO 6 HB2 PRO 6 -5.463 -5.230 1.379 25 HB3 PRO 6 HB3 PRO 6 -4.649 -4.674 2.838 26 HG2 PRO 6 HG2 PRO 6 -7.243 -4.152 2.434 27 HG3 PRO 6 HG3 PRO 6 -6.175 -2.991 3.238 28 HD2 PRO 6 HD2 PRO 6 -7.276 -2.947 0.466 29 HD3 PRO 6 HD3 PRO 6 -6.923 -1.600 1.568 30 HA PRO 7 HA PRO 7 -2.829 -6.349 -1.706 31 HB2 PRO 7 HB2 PRO 7 -4.377 -5.065 -3.903 32 HB3 PRO 7 HB3 PRO 7 -4.096 -6.785 -3.590 33 HG2 PRO 7 HG2 PRO 7 -6.443 -5.753 -3.034 34 HG3 PRO 7 HG3 PRO 7 -5.669 -6.851 -1.874 35 HD2 PRO 7 HD2 PRO 7 -5.840 -3.865 -1.814 36 HD3 PRO 7 HD3 PRO 7 -6.096 -5.030 -0.500 37 H CYS 8 H CYS 8 -3.418 -2.986 -2.669 38 HA CYS 8 HA CYS 8 -1.031 -2.831 -4.205 39 HB2 CYS 8 HB2 CYS 8 -2.827 -1.292 -4.723 40 HB3 CYS 8 HB3 CYS 8 -2.811 -0.657 -3.081 41 H ARG 9 H ARG 9 -1.956 -1.633 -0.991 42 HA ARG 9 HA ARG 9 0.371 -0.284 -0.254 43 HB2 ARG 9 HB2 ARG 9 -1.831 -0.433 0.932 44 HB3 ARG 9 HB3 ARG 9 -1.328 -1.985 1.500 45 HG2 ARG 9 HG2 ARG 9 0.646 -1.071 2.556 46 HG3 ARG 9 HG3 ARG 9 0.150 0.544 2.063 47 HD2 ARG 9 HD2 ARG 9 -1.834 0.432 3.423 48 HD3 ARG 9 HD3 ARG 9 -1.540 -1.268 3.790 49 HE ARG 9 HE ARG 9 0.665 0.209 4.621 50 HH11 ARG 9 HH11 ARG 9 -2.750 -0.108 5.524 51 HH12 ARG 9 HH12 ARG 9 -2.478 0.147 7.182 52 HH21 ARG 9 HH21 ARG 9 1.034 0.588 6.870 53 HH22 ARG 9 HH22 ARG 9 -0.283 0.609 7.966 54 H ASN 10 H ASN 10 -0.498 -3.561 0.130 55 HA ASN 10 HA ASN 10 1.706 -4.484 1.607 56 HB2 ASN 10 HB2 ASN 10 -0.311 -5.849 1.361 57 HB3 ASN 10 HB3 ASN 10 0.028 -6.075 -0.348 58 HD21 ASN 10 HD21 ASN 10 1.453 -7.646 -0.955 59 HD22 ASN 10 HD22 ASN 10 2.221 -8.722 0.154 60 H LYS 11 H LYS 11 1.629 -3.671 -1.728 61 HA LYS 11 HA LYS 11 4.125 -5.032 -2.237 62 HB2 LYS 11 HB2 LYS 11 2.259 -3.416 -3.923 63 HB3 LYS 11 HB3 LYS 11 3.755 -4.094 -4.496 64 HG2 LYS 11 HG2 LYS 11 2.879 -6.355 -3.922 65 HG3 LYS 11 HG3 LYS 11 1.346 -5.590 -3.492 66 HD2 LYS 11 HD2 LYS 11 1.163 -4.702 -5.758 67 HD3 LYS 11 HD3 LYS 11 2.685 -5.487 -6.185 68 HE2 LYS 11 HE2 LYS 11 0.872 -6.840 -6.955 69 HE3 LYS 11 HE3 LYS 11 1.664 -7.653 -5.608 70 HZ1 LYS 11 HZ1 LYS 11 -0.688 -7.809 -5.375 71 HZ2 LYS 11 HZ2 LYS 11 -0.886 -6.152 -5.515 72 HZ3 LYS 11 HZ3 LYS 11 -0.128 -6.790 -4.152 73 H HIS 12 H HIS 12 3.098 -2.192 -0.867 74 HA HIS 12 HA HIS 12 5.434 -0.739 -1.878 75 HB2 HIS 12 HB2 HIS 12 2.648 0.361 -1.566 76 HB3 HIS 12 HB3 HIS 12 4.030 1.360 -1.939 77 HD1 HIS 12 HD1 HIS 12 5.046 0.973 -4.472 78 HD2 HIS 12 HD2 HIS 12 1.520 -0.962 -3.510 79 HE1 HIS 12 HE1 HIS 12 4.126 0.098 -6.654 80 HA PRO 13 HA PRO 13 4.608 -0.341 2.812 81 HB2 PRO 13 HB2 PRO 13 6.301 -2.082 3.944 82 HB3 PRO 13 HB3 PRO 13 4.764 -2.642 3.266 83 HG2 PRO 13 HG2 PRO 13 7.498 -2.748 2.056 84 HG3 PRO 13 HG3 PRO 13 6.255 -4.012 2.127 85 HD2 PRO 13 HD2 PRO 13 6.678 -2.408 -0.054 86 HD3 PRO 13 HD3 PRO 13 5.119 -3.161 0.328 87 H ASP 14 H ASP 14 7.133 -0.073 0.682 88 HA ASP 14 HA ASP 14 9.069 1.053 2.526 89 HB2 ASP 14 HB2 ASP 14 9.820 -0.329 0.612 90 HB3 ASP 14 HB3 ASP 14 9.173 0.872 -0.492 91 H LEU 15 H LEU 15 6.972 2.170 -0.133 92 HA LEU 15 HA LEU 15 7.776 4.826 0.495 93 HB2 LEU 15 HB2 LEU 15 6.417 5.577 -1.435 94 HB3 LEU 15 HB3 LEU 15 7.625 4.393 -1.848 95 HG LEU 15 HG LEU 15 5.700 2.682 -1.838 96 HD11 LEU 15 HD11 LEU 15 4.053 5.194 -1.995 97 HD12 LEU 15 HD12 LEU 15 4.016 3.997 -0.701 98 HD13 LEU 15 HD13 LEU 15 3.480 3.559 -2.322 99 HD21 LEU 15 HD21 LEU 15 5.749 4.871 -3.893 100 HD22 LEU 15 HD22 LEU 15 5.088 3.251 -4.123 101 HD23 LEU 15 HD23 LEU 15 6.816 3.473 -3.839 102 H CYS 16 H CYS 16 5.167 2.743 1.254 103 HA CYS 16 HA CYS 16 4.145 4.798 2.981 104 HB2 CYS 16 HB2 CYS 16 2.838 5.104 0.921 105 HB3 CYS 16 HB3 CYS 16 2.368 3.408 0.977 106 HN1 NH2 17 HN1 NH2 17 2.856 1.684 1.847 107 HN2 NH2 17 HN2 NH2 17 2.932 0.934 3.404 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -6.043 5.955 -5.754 2 H2 GLY 1 H2 GLY 1 -6.766 7.243 -4.919 3 H3 GLY 1 H3 GLY 1 -7.413 5.680 -4.809 4 HA2 GLY 1 HA2 GLY 1 -4.781 6.513 -3.794 5 HA3 GLY 1 HA3 GLY 1 -6.219 6.207 -2.824 6 H CYS 2 H CYS 2 -3.437 4.901 -4.011 7 HA CYS 2 HA CYS 2 -4.465 2.159 -4.166 8 HB2 CYS 2 HB2 CYS 2 -2.804 3.461 -5.766 9 HB3 CYS 2 HB3 CYS 2 -1.635 2.899 -4.608 10 H CYS 3 H CYS 3 -2.311 4.255 -2.429 11 HA CYS 3 HA CYS 3 -1.027 2.253 -0.863 12 HB2 CYS 3 HB2 CYS 3 -0.067 4.521 -1.255 13 HB3 CYS 3 HB3 CYS 3 -1.313 5.203 -0.221 14 H SER 4 H SER 4 -4.099 3.747 -0.610 15 HA SER 4 HA SER 4 -4.483 3.122 2.171 16 HB2 SER 4 HB2 SER 4 -6.394 4.071 0.053 17 HB3 SER 4 HB3 SER 4 -6.619 4.141 1.807 18 HG SER 4 HG SER 4 -4.530 5.377 1.690 19 H ASP 5 H ASP 5 -4.423 1.394 -0.626 20 HA ASP 5 HA ASP 5 -6.607 -0.446 0.036 21 HB2 ASP 5 HB2 ASP 5 -6.634 0.362 -2.247 22 HB3 ASP 5 HB3 ASP 5 -4.932 -0.019 -2.448 23 HA PRO 6 HA PRO 6 -3.240 -2.678 1.992 24 HB2 PRO 6 HB2 PRO 6 -5.231 -4.906 1.993 25 HB3 PRO 6 HB3 PRO 6 -4.243 -4.273 3.305 26 HG2 PRO 6 HG2 PRO 6 -6.838 -3.656 3.144 27 HG3 PRO 6 HG3 PRO 6 -5.639 -2.481 3.707 28 HD2 PRO 6 HD2 PRO 6 -7.029 -2.649 1.064 29 HD3 PRO 6 HD3 PRO 6 -6.546 -1.222 2.007 30 HA PRO 7 HA PRO 7 -2.907 -6.363 -1.255 31 HB2 PRO 7 HB2 PRO 7 -4.663 -5.225 -3.382 32 HB3 PRO 7 HB3 PRO 7 -4.367 -6.916 -2.958 33 HG2 PRO 7 HG2 PRO 7 -6.641 -5.793 -2.259 34 HG3 PRO 7 HG3 PRO 7 -5.778 -6.834 -1.113 35 HD2 PRO 7 HD2 PRO 7 -5.905 -3.846 -1.214 36 HD3 PRO 7 HD3 PRO 7 -6.019 -4.928 0.189 37 H CYS 8 H CYS 8 -3.605 -3.090 -2.475 38 HA CYS 8 HA CYS 8 -1.357 -3.061 -4.210 39 HB2 CYS 8 HB2 CYS 8 -3.220 -1.523 -4.596 40 HB3 CYS 8 HB3 CYS 8 -2.933 -0.759 -3.036 41 H ARG 9 H ARG 9 -1.973 -1.647 -1.054 42 HA ARG 9 HA ARG 9 0.319 -0.233 -0.453 43 HB2 ARG 9 HB2 ARG 9 -1.840 -0.509 0.791 44 HB3 ARG 9 HB3 ARG 9 -1.209 -2.013 1.365 45 HG2 ARG 9 HG2 ARG 9 0.756 -0.817 2.295 46 HG3 ARG 9 HG3 ARG 9 -0.102 0.680 1.905 47 HD2 ARG 9 HD2 ARG 9 -0.436 -0.009 4.237 48 HD3 ARG 9 HD3 ARG 9 -1.945 0.063 3.318 49 HE ARG 9 HE ARG 9 -0.842 -2.548 3.252 50 HH11 ARG 9 HH11 ARG 9 -2.461 -0.351 5.475 51 HH12 ARG 9 HH12 ARG 9 -3.259 -1.585 6.336 52 HH21 ARG 9 HH21 ARG 9 -1.890 -4.233 4.413 53 HH22 ARG 9 HH22 ARG 9 -2.927 -3.854 5.724 54 H ASN 10 H ASN 10 -0.384 -3.573 0.132 55 HA ASN 10 HA ASN 10 2.020 -4.117 1.495 56 HB2 ASN 10 HB2 ASN 10 0.015 -5.999 0.297 57 HB3 ASN 10 HB3 ASN 10 1.476 -6.579 1.085 58 HD21 ASN 10 HD21 ASN 10 0.499 -7.539 2.757 59 HD22 ASN 10 HD22 ASN 10 -0.390 -6.742 4.002 60 H LYS 11 H LYS 11 1.667 -3.630 -1.824 61 HA LYS 11 HA LYS 11 4.080 -5.119 -2.419 62 HB2 LYS 11 HB2 LYS 11 2.126 -3.550 -4.043 63 HB3 LYS 11 HB3 LYS 11 3.583 -4.185 -4.716 64 HG2 LYS 11 HG2 LYS 11 2.724 -6.488 -3.924 65 HG3 LYS 11 HG3 LYS 11 1.184 -5.667 -3.664 66 HD2 LYS 11 HD2 LYS 11 2.691 -5.840 -6.275 67 HD3 LYS 11 HD3 LYS 11 1.244 -6.752 -5.861 68 HE2 LYS 11 HE2 LYS 11 1.418 -3.740 -6.073 69 HE3 LYS 11 HE3 LYS 11 0.768 -4.812 -7.308 70 HZ1 LYS 11 HZ1 LYS 11 -0.361 -4.549 -4.558 71 HZ2 LYS 11 HZ2 LYS 11 -0.970 -5.478 -5.802 72 HZ3 LYS 11 HZ3 LYS 11 -0.965 -3.817 -5.959 73 H HIS 12 H HIS 12 3.295 -2.294 -1.016 74 HA HIS 12 HA HIS 12 5.526 -0.803 -2.211 75 HB2 HIS 12 HB2 HIS 12 2.740 0.210 -1.674 76 HB3 HIS 12 HB3 HIS 12 4.056 1.261 -2.132 77 HD1 HIS 12 HD1 HIS 12 5.011 0.740 -4.697 78 HD2 HIS 12 HD2 HIS 12 1.416 -0.993 -3.610 79 HE1 HIS 12 HE1 HIS 12 3.927 -0.029 -6.843 80 HA PRO 13 HA PRO 13 5.074 -0.593 2.567 81 HB2 PRO 13 HB2 PRO 13 7.359 -2.327 2.974 82 HB3 PRO 13 HB3 PRO 13 5.682 -2.608 3.448 83 HG2 PRO 13 HG2 PRO 13 6.963 -4.064 1.525 84 HG3 PRO 13 HG3 PRO 13 5.206 -3.802 1.564 85 HD2 PRO 13 HD2 PRO 13 7.297 -2.395 -0.054 86 HD3 PRO 13 HD3 PRO 13 5.700 -2.995 -0.558 87 H ASP 14 H ASP 14 6.995 0.319 0.280 88 HA ASP 14 HA ASP 14 9.329 1.320 1.629 89 HB2 ASP 14 HB2 ASP 14 9.277 0.813 -0.793 90 HB3 ASP 14 HB3 ASP 14 8.115 2.116 -1.021 91 H LEU 15 H LEU 15 6.323 2.634 0.408 92 HA LEU 15 HA LEU 15 6.859 5.012 1.939 93 HB2 LEU 15 HB2 LEU 15 5.495 6.345 0.432 94 HB3 LEU 15 HB3 LEU 15 6.772 5.538 -0.438 95 HG LEU 15 HG LEU 15 3.885 4.607 -0.448 96 HD11 LEU 15 HD11 LEU 15 4.034 6.826 -1.404 97 HD12 LEU 15 HD12 LEU 15 3.760 5.618 -2.664 98 HD13 LEU 15 HD13 LEU 15 5.367 6.306 -2.439 99 HD21 LEU 15 HD21 LEU 15 5.404 2.818 -1.102 100 HD22 LEU 15 HD22 LEU 15 6.252 3.908 -2.194 101 HD23 LEU 15 HD23 LEU 15 4.587 3.445 -2.531 102 H CYS 16 H CYS 16 4.725 2.360 1.514 103 HA CYS 16 HA CYS 16 2.692 3.618 3.077 104 HB2 CYS 16 HB2 CYS 16 2.848 1.004 1.617 105 HB3 CYS 16 HB3 CYS 16 1.461 1.639 2.492 106 HN1 NH2 17 HN1 NH2 17 3.347 3.539 5.162 107 HN2 NH2 17 HN2 NH2 17 3.865 2.125 5.996 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -6.882 3.794 -4.730 2 H2 GLY 1 H2 GLY 1 -7.554 5.261 -4.280 3 H3 GLY 1 H3 GLY 1 -7.549 3.949 -3.196 4 HA2 GLY 1 HA2 GLY 1 -5.176 5.375 -4.235 5 HA3 GLY 1 HA3 GLY 1 -5.822 5.522 -2.601 6 H CYS 2 H CYS 2 -3.272 4.413 -3.921 7 HA CYS 2 HA CYS 2 -3.202 1.610 -3.628 8 HB2 CYS 2 HB2 CYS 2 -1.537 3.090 -4.834 9 HB3 CYS 2 HB3 CYS 2 -0.894 3.469 -3.275 10 H CYS 3 H CYS 3 -2.076 4.152 -1.534 11 HA CYS 3 HA CYS 3 -1.313 2.330 0.536 12 HB2 CYS 3 HB2 CYS 3 -0.282 4.604 0.312 13 HB3 CYS 3 HB3 CYS 3 -1.792 5.297 0.897 14 H SER 4 H SER 4 -4.323 3.600 -0.340 15 HA SER 4 HA SER 4 -5.475 2.912 2.242 16 HB2 SER 4 HB2 SER 4 -6.167 5.055 1.219 17 HB3 SER 4 HB3 SER 4 -6.753 4.189 -0.200 18 HG SER 4 HG SER 4 -7.944 2.997 1.661 19 H ASP 5 H ASP 5 -4.464 1.224 -0.280 20 HA ASP 5 HA ASP 5 -6.691 -0.646 -0.132 21 HB2 ASP 5 HB2 ASP 5 -6.706 0.527 -2.326 22 HB3 ASP 5 HB3 ASP 5 -5.068 -0.047 -2.612 23 HA PRO 6 HA PRO 6 -3.293 -2.794 1.777 24 HB2 PRO 6 HB2 PRO 6 -5.296 -5.000 1.535 25 HB3 PRO 6 HB3 PRO 6 -4.296 -4.521 2.903 26 HG2 PRO 6 HG2 PRO 6 -6.871 -3.842 2.793 27 HG3 PRO 6 HG3 PRO 6 -5.652 -2.754 3.480 28 HD2 PRO 6 HD2 PRO 6 -7.078 -2.606 0.874 29 HD3 PRO 6 HD3 PRO 6 -6.471 -1.297 1.909 30 HA PRO 7 HA PRO 7 -2.851 -6.271 -1.627 31 HB2 PRO 7 HB2 PRO 7 -4.643 -5.293 -3.768 32 HB3 PRO 7 HB3 PRO 7 -4.356 -6.949 -3.222 33 HG2 PRO 7 HG2 PRO 7 -6.633 -5.741 -2.629 34 HG3 PRO 7 HG3 PRO 7 -5.807 -6.732 -1.411 35 HD2 PRO 7 HD2 PRO 7 -5.828 -3.752 -1.721 36 HD3 PRO 7 HD3 PRO 7 -6.057 -4.720 -0.252 37 H CYS 8 H CYS 8 -3.205 -2.907 -2.200 38 HA CYS 8 HA CYS 8 -1.150 -2.964 -4.290 39 HB2 CYS 8 HB2 CYS 8 -3.168 -1.419 -4.526 40 HB3 CYS 8 HB3 CYS 8 -2.571 -0.551 -3.122 41 H ARG 9 H ARG 9 -1.846 -1.668 -1.121 42 HA ARG 9 HA ARG 9 0.516 -0.256 -0.616 43 HB2 ARG 9 HB2 ARG 9 -1.740 -0.363 0.574 44 HB3 ARG 9 HB3 ARG 9 -1.071 -1.717 1.400 45 HG2 ARG 9 HG2 ARG 9 0.732 -0.508 2.342 46 HG3 ARG 9 HG3 ARG 9 0.316 0.933 1.418 47 HD2 ARG 9 HD2 ARG 9 -0.441 1.108 3.745 48 HD3 ARG 9 HD3 ARG 9 -1.783 1.128 2.608 49 HE ARG 9 HE ARG 9 -1.033 -1.387 3.867 50 HH11 ARG 9 HH11 ARG 9 -3.431 1.215 3.462 51 HH12 ARG 9 HH12 ARG 9 -4.611 0.478 4.418 52 HH21 ARG 9 HH21 ARG 9 -2.684 -2.398 5.212 53 HH22 ARG 9 HH22 ARG 9 -4.172 -1.614 5.438 54 H ASN 10 H ASN 10 -0.351 -3.547 0.045 55 HA ASN 10 HA ASN 10 2.032 -4.062 1.505 56 HB2 ASN 10 HB2 ASN 10 1.502 -6.376 1.661 57 HB3 ASN 10 HB3 ASN 10 -0.031 -5.529 1.697 58 HD21 ASN 10 HD21 ASN 10 2.019 -7.680 -0.063 59 HD22 ASN 10 HD22 ASN 10 0.824 -8.195 -1.199 60 H LYS 11 H LYS 11 1.721 -3.640 -1.827 61 HA LYS 11 HA LYS 11 4.148 -5.118 -2.400 62 HB2 LYS 11 HB2 LYS 11 2.157 -3.569 -4.039 63 HB3 LYS 11 HB3 LYS 11 3.738 -3.917 -4.658 64 HG2 LYS 11 HG2 LYS 11 2.134 -5.534 -5.505 65 HG3 LYS 11 HG3 LYS 11 3.291 -6.329 -4.444 66 HD2 LYS 11 HD2 LYS 11 1.666 -6.336 -2.645 67 HD3 LYS 11 HD3 LYS 11 0.519 -5.455 -3.653 68 HE2 LYS 11 HE2 LYS 11 -0.015 -7.832 -3.599 69 HE3 LYS 11 HE3 LYS 11 0.447 -7.321 -5.216 70 HZ1 LYS 11 HZ1 LYS 11 2.618 -8.295 -4.898 71 HZ2 LYS 11 HZ2 LYS 11 1.452 -9.456 -4.549 72 HZ3 LYS 11 HZ3 LYS 11 2.266 -8.700 -3.311 73 H HIS 12 H HIS 12 3.228 -2.231 -1.076 74 HA HIS 12 HA HIS 12 5.647 -0.831 -1.965 75 HB2 HIS 12 HB2 HIS 12 2.855 0.311 -1.861 76 HB3 HIS 12 HB3 HIS 12 4.277 1.253 -2.221 77 HD1 HIS 12 HD1 HIS 12 5.555 0.350 -4.616 78 HD2 HIS 12 HD2 HIS 12 1.604 -0.664 -3.899 79 HE1 HIS 12 HE1 HIS 12 4.655 -0.464 -6.805 80 HA PRO 13 HA PRO 13 4.443 -0.535 2.664 81 HB2 PRO 13 HB2 PRO 13 6.387 -2.008 3.828 82 HB3 PRO 13 HB3 PRO 13 4.875 -2.717 3.245 83 HG2 PRO 13 HG2 PRO 13 7.570 -2.690 1.972 84 HG3 PRO 13 HG3 PRO 13 6.384 -4.002 2.067 85 HD2 PRO 13 HD2 PRO 13 6.725 -2.440 -0.149 86 HD3 PRO 13 HD3 PRO 13 5.192 -3.224 0.272 87 H ASP 14 H ASP 14 7.462 -0.260 0.962 88 HA ASP 14 HA ASP 14 8.617 1.459 2.997 89 HB2 ASP 14 HB2 ASP 14 10.124 -0.064 1.853 90 HB3 ASP 14 HB3 ASP 14 9.663 0.584 0.291 91 H LEU 15 H LEU 15 6.555 1.757 0.369 92 HA LEU 15 HA LEU 15 7.267 4.419 -0.310 93 HB2 LEU 15 HB2 LEU 15 6.529 2.929 -2.048 94 HB3 LEU 15 HB3 LEU 15 5.132 2.485 -1.082 95 HG LEU 15 HG LEU 15 4.299 4.734 -1.303 96 HD11 LEU 15 HD11 LEU 15 6.481 5.042 -3.356 97 HD12 LEU 15 HD12 LEU 15 6.347 5.941 -1.838 98 HD13 LEU 15 HD13 LEU 15 5.156 6.179 -3.126 99 HD21 LEU 15 HD21 LEU 15 4.698 3.180 -3.845 100 HD22 LEU 15 HD22 LEU 15 3.560 4.510 -3.679 101 HD23 LEU 15 HD23 LEU 15 3.356 3.059 -2.699 102 H CYS 16 H CYS 16 4.588 2.573 1.139 103 HA CYS 16 HA CYS 16 4.033 4.797 2.882 104 HB2 CYS 16 HB2 CYS 16 2.567 5.058 0.830 105 HB3 CYS 16 HB3 CYS 16 1.815 3.529 1.270 106 HN1 NH2 17 HN1 NH2 17 2.624 1.650 1.921 107 HN2 NH2 17 HN2 NH2 17 2.674 0.991 3.514 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -6.316 7.453 -4.735 2 H2 GLY 1 H2 GLY 1 -7.022 5.935 -4.464 3 H3 GLY 1 H3 GLY 1 -5.825 6.098 -5.624 4 HA2 GLY 1 HA2 GLY 1 -4.209 6.597 -3.940 5 HA3 GLY 1 HA3 GLY 1 -5.476 6.485 -2.718 6 H CYS 2 H CYS 2 -3.035 4.821 -4.223 7 HA CYS 2 HA CYS 2 -4.324 2.239 -4.254 8 HB2 CYS 2 HB2 CYS 2 -2.368 3.346 -5.692 9 HB3 CYS 2 HB3 CYS 2 -1.406 2.574 -4.468 10 H CYS 3 H CYS 3 -2.178 4.122 -2.316 11 HA CYS 3 HA CYS 3 -1.348 2.041 -0.548 12 HB2 CYS 3 HB2 CYS 3 -0.070 4.155 -0.801 13 HB3 CYS 3 HB3 CYS 3 -1.385 5.031 -0.028 14 H SER 4 H SER 4 -4.304 3.636 -0.890 15 HA SER 4 HA SER 4 -5.159 3.346 1.833 16 HB2 SER 4 HB2 SER 4 -6.679 3.999 -0.693 17 HB3 SER 4 HB3 SER 4 -7.216 4.271 0.965 18 HG SER 4 HG SER 4 -6.462 6.149 0.411 19 H ASP 5 H ASP 5 -4.650 1.366 -0.781 20 HA ASP 5 HA ASP 5 -6.776 -0.513 -0.066 21 HB2 ASP 5 HB2 ASP 5 -6.875 0.098 -2.406 22 HB3 ASP 5 HB3 ASP 5 -5.150 -0.191 -2.599 23 HA PRO 6 HA PRO 6 -3.322 -2.476 2.070 24 HB2 PRO 6 HB2 PRO 6 -5.324 -4.683 2.264 25 HB3 PRO 6 HB3 PRO 6 -4.339 -3.933 3.519 26 HG2 PRO 6 HG2 PRO 6 -6.928 -3.352 3.319 27 HG3 PRO 6 HG3 PRO 6 -5.737 -2.118 3.758 28 HD2 PRO 6 HD2 PRO 6 -7.140 -2.549 1.153 29 HD3 PRO 6 HD3 PRO 6 -6.670 -1.034 1.954 30 HA PRO 7 HA PRO 7 -2.999 -6.382 -0.867 31 HB2 PRO 7 HB2 PRO 7 -4.672 -5.330 -3.103 32 HB3 PRO 7 HB3 PRO 7 -4.412 -7.004 -2.595 33 HG2 PRO 7 HG2 PRO 7 -6.685 -5.807 -2.008 34 HG3 PRO 7 HG3 PRO 7 -5.876 -6.820 -0.796 35 HD2 PRO 7 HD2 PRO 7 -5.969 -3.841 -1.014 36 HD3 PRO 7 HD3 PRO 7 -6.098 -4.870 0.426 37 H CYS 8 H CYS 8 -3.665 -3.218 -2.417 38 HA CYS 8 HA CYS 8 -1.378 -3.311 -4.080 39 HB2 CYS 8 HB2 CYS 8 -3.219 -1.804 -4.634 40 HB3 CYS 8 HB3 CYS 8 -2.975 -0.915 -3.133 41 H ARG 9 H ARG 9 -2.000 -1.770 -0.972 42 HA ARG 9 HA ARG 9 0.360 -0.380 -0.476 43 HB2 ARG 9 HB2 ARG 9 -1.881 -0.705 0.867 44 HB3 ARG 9 HB3 ARG 9 -1.014 -1.994 1.630 45 HG2 ARG 9 HG2 ARG 9 -0.004 0.828 1.615 46 HG3 ARG 9 HG3 ARG 9 -1.003 0.180 2.917 47 HD2 ARG 9 HD2 ARG 9 1.756 -0.734 2.072 48 HD3 ARG 9 HD3 ARG 9 1.352 0.148 3.539 49 HE ARG 9 HE ARG 9 -0.119 -2.194 3.565 50 HH11 ARG 9 HH11 ARG 9 3.277 -1.193 3.800 51 HH12 ARG 9 HH12 ARG 9 3.792 -2.643 4.531 52 HH21 ARG 9 HH21 ARG 9 0.584 -4.156 4.588 53 HH22 ARG 9 HH22 ARG 9 2.211 -4.380 5.015 54 H ASN 10 H ASN 10 -0.428 -3.693 0.071 55 HA ASN 10 HA ASN 10 1.893 -4.625 1.287 56 HB2 ASN 10 HB2 ASN 10 0.116 -6.098 -0.647 57 HB3 ASN 10 HB3 ASN 10 1.470 -6.868 0.161 58 HD21 ASN 10 HD21 ASN 10 1.110 -5.497 2.670 59 HD22 ASN 10 HD22 ASN 10 -0.295 -6.143 3.402 60 H LYS 11 H LYS 11 1.618 -3.703 -2.028 61 HA LYS 11 HA LYS 11 4.139 -4.934 -2.722 62 HB2 LYS 11 HB2 LYS 11 2.063 -3.394 -4.266 63 HB3 LYS 11 HB3 LYS 11 3.623 -3.710 -4.902 64 HG2 LYS 11 HG2 LYS 11 2.059 -5.379 -5.755 65 HG3 LYS 11 HG3 LYS 11 3.239 -6.164 -4.710 66 HD2 LYS 11 HD2 LYS 11 1.606 -6.134 -2.879 67 HD3 LYS 11 HD3 LYS 11 0.435 -5.362 -3.943 68 HE2 LYS 11 HE2 LYS 11 0.532 -7.332 -5.425 69 HE3 LYS 11 HE3 LYS 11 1.646 -8.099 -4.294 70 HZ1 LYS 11 HZ1 LYS 11 -0.689 -8.790 -3.996 71 HZ2 LYS 11 HZ2 LYS 11 -1.093 -7.208 -3.614 72 HZ3 LYS 11 HZ3 LYS 11 -0.034 -8.083 -2.613 73 H HIS 12 H HIS 12 3.140 -2.226 -1.165 74 HA HIS 12 HA HIS 12 5.392 -0.660 -2.184 75 HB2 HIS 12 HB2 HIS 12 2.641 0.403 -1.516 76 HB3 HIS 12 HB3 HIS 12 4.016 1.398 -1.955 77 HD1 HIS 12 HD1 HIS 12 4.801 1.188 -4.526 78 HD2 HIS 12 HD2 HIS 12 1.292 -0.761 -3.513 79 HE1 HIS 12 HE1 HIS 12 3.700 0.527 -6.709 80 HA PRO 13 HA PRO 13 5.288 -1.070 2.416 81 HB2 PRO 13 HB2 PRO 13 7.896 -2.247 2.376 82 HB3 PRO 13 HB3 PRO 13 6.361 -3.012 2.795 83 HG2 PRO 13 HG2 PRO 13 7.826 -3.669 0.569 84 HG3 PRO 13 HG3 PRO 13 6.067 -3.867 0.694 85 HD2 PRO 13 HD2 PRO 13 7.637 -1.654 -0.576 86 HD3 PRO 13 HD3 PRO 13 6.199 -2.512 -1.185 87 H ASP 14 H ASP 14 7.539 0.337 0.212 88 HA ASP 14 HA ASP 14 9.243 1.383 2.257 89 HB2 ASP 14 HB2 ASP 14 10.243 1.038 0.099 90 HB3 ASP 14 HB3 ASP 14 9.082 2.126 -0.661 91 H LEU 15 H LEU 15 6.779 2.880 0.190 92 HA LEU 15 HA LEU 15 7.098 5.215 1.813 93 HB2 LEU 15 HB2 LEU 15 5.694 6.458 0.336 94 HB3 LEU 15 HB3 LEU 15 6.788 5.513 -0.632 95 HG LEU 15 HG LEU 15 3.874 4.833 -0.177 96 HD11 LEU 15 HD11 LEU 15 3.551 5.604 -2.479 97 HD12 LEU 15 HD12 LEU 15 5.227 6.153 -2.519 98 HD13 LEU 15 HD13 LEU 15 4.080 6.896 -1.407 99 HD21 LEU 15 HD21 LEU 15 5.173 2.873 -0.739 100 HD22 LEU 15 HD22 LEU 15 5.919 3.735 -2.085 101 HD23 LEU 15 HD23 LEU 15 4.193 3.371 -2.125 102 H CYS 16 H CYS 16 5.093 2.452 1.801 103 HA CYS 16 HA CYS 16 3.367 3.715 3.716 104 HB2 CYS 16 HB2 CYS 16 2.846 1.622 1.639 105 HB3 CYS 16 HB3 CYS 16 1.735 2.114 2.902 106 HN1 NH2 17 HN1 NH2 17 4.574 2.985 5.480 107 HN2 NH2 17 HN2 NH2 17 4.817 1.317 5.853 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -7.871 5.407 -1.254 2 H2 GLY 1 H2 GLY 1 -7.464 7.018 -0.940 3 H3 GLY 1 H3 GLY 1 -6.634 5.763 -0.170 4 HA2 GLY 1 HA2 GLY 1 -6.608 6.275 -3.086 5 HA3 GLY 1 HA3 GLY 1 -5.307 6.674 -1.978 6 H CYS 2 H CYS 2 -3.963 5.246 -3.281 7 HA CYS 2 HA CYS 2 -4.695 2.474 -3.455 8 HB2 CYS 2 HB2 CYS 2 -3.193 4.151 -4.918 9 HB3 CYS 2 HB3 CYS 2 -1.949 3.423 -3.943 10 H CYS 3 H CYS 3 -2.770 4.572 -1.535 11 HA CYS 3 HA CYS 3 -1.360 2.551 -0.076 12 HB2 CYS 3 HB2 CYS 3 -0.565 4.928 -0.333 13 HB3 CYS 3 HB3 CYS 3 -1.872 5.455 0.703 14 H SER 4 H SER 4 -4.587 3.514 -0.090 15 HA SER 4 HA SER 4 -5.179 2.721 2.630 16 HB2 SER 4 HB2 SER 4 -7.062 3.442 0.404 17 HB3 SER 4 HB3 SER 4 -7.306 3.550 2.148 18 HG SER 4 HG SER 4 -5.451 5.073 2.016 19 H ASP 5 H ASP 5 -4.671 1.270 -0.412 20 HA ASP 5 HA ASP 5 -6.700 -0.759 0.085 21 HB2 ASP 5 HB2 ASP 5 -7.161 0.524 -1.938 22 HB3 ASP 5 HB3 ASP 5 -5.543 0.195 -2.538 23 HA PRO 6 HA PRO 6 -3.345 -3.343 1.278 24 HB2 PRO 6 HB2 PRO 6 -4.656 -5.733 0.402 25 HB3 PRO 6 HB3 PRO 6 -4.506 -5.097 2.040 26 HG2 PRO 6 HG2 PRO 6 -6.748 -4.862 0.136 27 HG3 PRO 6 HG3 PRO 6 -6.752 -4.774 1.899 28 HD2 PRO 6 HD2 PRO 6 -7.113 -2.620 0.326 29 HD3 PRO 6 HD3 PRO 6 -6.315 -2.501 1.908 30 HA PRO 7 HA PRO 7 -2.345 -5.813 -2.957 31 HB2 PRO 7 HB2 PRO 7 -3.753 -3.768 -4.627 32 HB3 PRO 7 HB3 PRO 7 -3.385 -5.454 -5.011 33 HG2 PRO 7 HG2 PRO 7 -5.802 -4.866 -4.263 34 HG3 PRO 7 HG3 PRO 7 -4.999 -6.261 -3.523 35 HD2 PRO 7 HD2 PRO 7 -5.467 -3.536 -2.381 36 HD3 PRO 7 HD3 PRO 7 -5.571 -5.125 -1.593 37 H CYS 8 H CYS 8 -2.782 -2.267 -2.988 38 HA CYS 8 HA CYS 8 -0.067 -2.160 -3.940 39 HB2 CYS 8 HB2 CYS 8 -0.621 0.211 -4.626 40 HB3 CYS 8 HB3 CYS 8 -1.389 -1.097 -5.514 41 H ARG 9 H ARG 9 -1.094 -2.402 -1.148 42 HA ARG 9 HA ARG 9 0.557 -0.245 0.014 43 HB2 ARG 9 HB2 ARG 9 -1.847 -0.311 0.662 44 HB3 ARG 9 HB3 ARG 9 -1.601 -1.927 1.218 45 HG2 ARG 9 HG2 ARG 9 0.075 -1.274 2.782 46 HG3 ARG 9 HG3 ARG 9 -0.124 0.407 2.315 47 HD2 ARG 9 HD2 ARG 9 -2.383 0.444 3.178 48 HD3 ARG 9 HD3 ARG 9 -2.334 -1.292 3.504 49 HE ARG 9 HE ARG 9 -0.210 -0.221 4.840 50 HH11 ARG 9 HH11 ARG 9 -3.700 0.316 5.028 51 HH12 ARG 9 HH12 ARG 9 -3.683 0.695 6.687 52 HH21 ARG 9 HH21 ARG 9 -0.186 0.253 7.062 53 HH22 ARG 9 HH22 ARG 9 -1.613 0.644 7.899 54 H ASN 10 H ASN 10 -0.568 -3.485 0.523 55 HA ASN 10 HA ASN 10 1.343 -4.279 2.435 56 HB2 ASN 10 HB2 ASN 10 -0.826 -5.363 2.271 57 HB3 ASN 10 HB3 ASN 10 -0.451 -5.922 0.651 58 HD21 ASN 10 HD21 ASN 10 0.258 -6.300 4.046 59 HD22 ASN 10 HD22 ASN 10 0.928 -7.887 3.910 60 H LYS 11 H LYS 11 1.425 -4.284 -0.987 61 HA LYS 11 HA LYS 11 3.836 -5.889 -1.069 62 HB2 LYS 11 HB2 LYS 11 1.914 -4.836 -3.129 63 HB3 LYS 11 HB3 LYS 11 3.510 -5.317 -3.570 64 HG2 LYS 11 HG2 LYS 11 1.870 -7.143 -3.937 65 HG3 LYS 11 HG3 LYS 11 3.152 -7.589 -2.820 66 HD2 LYS 11 HD2 LYS 11 1.579 -7.107 -0.939 67 HD3 LYS 11 HD3 LYS 11 0.312 -6.836 -2.136 68 HE2 LYS 11 HE2 LYS 11 0.491 -9.103 -2.924 69 HE3 LYS 11 HE3 LYS 11 1.896 -9.392 -1.902 70 HZ1 LYS 11 HZ1 LYS 11 -0.873 -8.872 -0.981 71 HZ2 LYS 11 HZ2 LYS 11 0.453 -9.050 0.042 72 HZ3 LYS 11 HZ3 LYS 11 -0.063 -10.345 -0.905 73 H HIS 12 H HIS 12 3.221 -2.811 -0.278 74 HA HIS 12 HA HIS 12 5.614 -1.769 -1.606 75 HB2 HIS 12 HB2 HIS 12 2.946 -0.393 -1.469 76 HB3 HIS 12 HB3 HIS 12 4.369 0.395 -2.078 77 HD1 HIS 12 HD1 HIS 12 5.280 -0.731 -4.471 78 HD2 HIS 12 HD2 HIS 12 1.598 -1.879 -3.017 79 HE1 HIS 12 HE1 HIS 12 4.136 -1.945 -6.384 80 HA PRO 13 HA PRO 13 5.280 -0.808 2.863 81 HB2 PRO 13 HB2 PRO 13 7.671 -1.762 3.670 82 HB3 PRO 13 HB3 PRO 13 6.264 -2.808 3.453 83 HG2 PRO 13 HG2 PRO 13 8.636 -2.451 1.699 84 HG3 PRO 13 HG3 PRO 13 7.676 -3.903 2.013 85 HD2 PRO 13 HD2 PRO 13 7.464 -2.261 -0.234 86 HD3 PRO 13 HD3 PRO 13 6.252 -3.440 0.297 87 H ASP 14 H ASP 14 7.688 -0.030 0.508 88 HA ASP 14 HA ASP 14 8.999 1.828 2.267 89 HB2 ASP 14 HB2 ASP 14 10.322 0.675 0.573 90 HB3 ASP 14 HB3 ASP 14 9.368 1.406 -0.702 91 H LEU 15 H LEU 15 6.796 2.098 -0.505 92 HA LEU 15 HA LEU 15 6.831 4.926 -0.126 93 HB2 LEU 15 HB2 LEU 15 5.421 5.092 -2.154 94 HB3 LEU 15 HB3 LEU 15 6.919 4.242 -2.418 95 HG LEU 15 HG LEU 15 5.473 2.098 -2.170 96 HD11 LEU 15 HD11 LEU 15 3.303 4.071 -2.818 97 HD12 LEU 15 HD12 LEU 15 3.459 3.120 -1.340 98 HD13 LEU 15 HD13 LEU 15 3.162 2.312 -2.880 99 HD21 LEU 15 HD21 LEU 15 5.213 3.887 -4.576 100 HD22 LEU 15 HD22 LEU 15 4.906 2.150 -4.551 101 HD23 LEU 15 HD23 LEU 15 6.531 2.761 -4.240 102 H CYS 16 H CYS 16 4.979 2.347 1.006 103 HA CYS 16 HA CYS 16 3.016 4.247 1.973 104 HB2 CYS 16 HB2 CYS 16 1.932 3.128 0.097 105 HB3 CYS 16 HB3 CYS 16 2.360 1.551 0.752 106 HN1 NH2 17 HN1 NH2 17 3.396 0.738 2.299 107 HN2 NH2 17 HN2 NH2 17 3.671 0.788 4.007 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -6.967 7.006 -2.742 2 H2 GLY 1 H2 GLY 1 -7.193 5.458 -2.109 3 H3 GLY 1 H3 GLY 1 -7.196 5.687 -3.784 4 HA2 GLY 1 HA2 GLY 1 -4.889 6.284 -3.736 5 HA3 GLY 1 HA3 GLY 1 -4.903 6.057 -1.988 6 H CYS 2 H CYS 2 -3.521 4.656 -4.297 7 HA CYS 2 HA CYS 2 -4.668 1.998 -4.302 8 HB2 CYS 2 HB2 CYS 2 -3.190 3.133 -6.148 9 HB3 CYS 2 HB3 CYS 2 -1.857 2.678 -5.121 10 H CYS 3 H CYS 3 -1.839 3.588 -3.033 11 HA CYS 3 HA CYS 3 -0.791 1.345 -1.627 12 HB2 CYS 3 HB2 CYS 3 0.497 3.380 -2.459 13 HB3 CYS 3 HB3 CYS 3 -0.182 4.260 -1.098 14 H SER 4 H SER 4 -3.302 3.518 -0.985 15 HA SER 4 HA SER 4 -3.177 3.311 1.868 16 HB2 SER 4 HB2 SER 4 -5.310 4.420 0.076 17 HB3 SER 4 HB3 SER 4 -5.009 4.802 1.778 18 HG SER 4 HG SER 4 -2.836 5.429 0.927 19 H ASP 5 H ASP 5 -4.141 1.308 -0.624 20 HA ASP 5 HA ASP 5 -6.240 0.042 0.993 21 HB2 ASP 5 HB2 ASP 5 -6.994 0.885 -1.235 22 HB3 ASP 5 HB3 ASP 5 -5.798 -0.151 -2.001 23 HA PRO 6 HA PRO 6 -3.170 -2.858 2.159 24 HB2 PRO 6 HB2 PRO 6 -5.430 -4.813 2.048 25 HB3 PRO 6 HB3 PRO 6 -4.211 -4.541 3.287 26 HG2 PRO 6 HG2 PRO 6 -6.667 -3.528 3.530 27 HG3 PRO 6 HG3 PRO 6 -5.230 -2.682 4.123 28 HD2 PRO 6 HD2 PRO 6 -6.939 -2.067 1.778 29 HD3 PRO 6 HD3 PRO 6 -5.933 -0.991 2.768 30 HA PRO 7 HA PRO 7 -3.258 -6.318 -1.299 31 HB2 PRO 7 HB2 PRO 7 -5.010 -5.017 -3.322 32 HB3 PRO 7 HB3 PRO 7 -4.842 -6.728 -2.922 33 HG2 PRO 7 HG2 PRO 7 -6.979 -5.402 -2.124 34 HG3 PRO 7 HG3 PRO 7 -6.186 -6.548 -1.026 35 HD2 PRO 7 HD2 PRO 7 -6.022 -3.559 -1.081 36 HD3 PRO 7 HD3 PRO 7 -6.202 -4.645 0.309 37 H CYS 8 H CYS 8 -3.536 -2.908 -2.096 38 HA CYS 8 HA CYS 8 -1.386 -3.176 -4.040 39 HB2 CYS 8 HB2 CYS 8 -3.326 -1.748 -4.596 40 HB3 CYS 8 HB3 CYS 8 -2.966 -0.731 -3.209 41 H ARG 9 H ARG 9 -2.087 -1.851 -0.902 42 HA ARG 9 HA ARG 9 0.231 -0.378 -0.263 43 HB2 ARG 9 HB2 ARG 9 -1.945 -0.713 1.017 44 HB3 ARG 9 HB3 ARG 9 -1.269 -2.220 1.537 45 HG2 ARG 9 HG2 ARG 9 0.566 -1.193 2.643 46 HG3 ARG 9 HG3 ARG 9 0.084 0.389 2.030 47 HD2 ARG 9 HD2 ARG 9 -0.595 0.132 4.363 48 HD3 ARG 9 HD3 ARG 9 -2.007 0.259 3.312 49 HE ARG 9 HE ARG 9 -1.211 -2.434 3.839 50 HH11 ARG 9 HH11 ARG 9 -3.139 0.269 5.088 51 HH12 ARG 9 HH12 ARG 9 -4.072 -0.698 6.123 52 HH21 ARG 9 HH21 ARG 9 -2.536 -3.755 5.265 53 HH22 ARG 9 HH22 ARG 9 -3.750 -3.028 6.203 54 H ASN 10 H ASN 10 -0.524 -3.690 -0.049 55 HA ASN 10 HA ASN 10 1.708 -4.773 1.220 56 HB2 ASN 10 HB2 ASN 10 -0.299 -6.088 0.721 57 HB3 ASN 10 HB3 ASN 10 0.063 -6.009 -0.996 58 HD21 ASN 10 HD21 ASN 10 0.881 -7.433 2.031 59 HD22 ASN 10 HD22 ASN 10 1.890 -8.685 1.412 60 H LYS 11 H LYS 11 1.413 -3.647 -2.028 61 HA LYS 11 HA LYS 11 3.912 -4.792 -2.885 62 HB2 LYS 11 HB2 LYS 11 1.913 -2.965 -4.198 63 HB3 LYS 11 HB3 LYS 11 3.353 -3.575 -4.943 64 HG2 LYS 11 HG2 LYS 11 2.528 -5.864 -4.793 65 HG3 LYS 11 HG3 LYS 11 1.100 -5.302 -3.923 66 HD2 LYS 11 HD2 LYS 11 0.609 -5.726 -6.297 67 HD3 LYS 11 HD3 LYS 11 0.388 -4.028 -5.881 68 HE2 LYS 11 HE2 LYS 11 2.589 -3.514 -6.844 69 HE3 LYS 11 HE3 LYS 11 2.808 -5.218 -7.239 70 HZ1 LYS 11 HZ1 LYS 11 0.966 -5.084 -8.763 71 HZ2 LYS 11 HZ2 LYS 11 2.071 -3.871 -9.118 72 HZ3 LYS 11 HZ3 LYS 11 0.644 -3.489 -8.301 73 H HIS 12 H HIS 12 3.053 -2.191 -0.987 74 HA HIS 12 HA HIS 12 5.278 -0.597 -2.031 75 HB2 HIS 12 HB2 HIS 12 2.523 0.456 -1.469 76 HB3 HIS 12 HB3 HIS 12 3.878 1.507 -1.763 77 HD1 HIS 12 HD1 HIS 12 4.876 1.306 -4.360 78 HD2 HIS 12 HD2 HIS 12 1.241 -0.513 -3.547 79 HE1 HIS 12 HE1 HIS 12 3.853 0.779 -6.601 80 HA PRO 13 HA PRO 13 5.312 -0.728 2.627 81 HB2 PRO 13 HB2 PRO 13 7.653 -1.994 3.015 82 HB3 PRO 13 HB3 PRO 13 6.161 -2.890 2.707 83 HG2 PRO 13 HG2 PRO 13 8.390 -2.233 0.830 84 HG3 PRO 13 HG3 PRO 13 7.476 -3.741 0.996 85 HD2 PRO 13 HD2 PRO 13 6.986 -1.844 -0.932 86 HD3 PRO 13 HD3 PRO 13 5.770 -2.989 -0.338 87 H ASP 14 H ASP 14 7.188 0.420 0.122 88 HA ASP 14 HA ASP 14 9.295 1.781 1.402 89 HB2 ASP 14 HB2 ASP 14 9.253 1.468 -1.018 90 HB3 ASP 14 HB3 ASP 14 7.829 2.492 -1.147 91 H LEU 15 H LEU 15 6.017 2.808 0.632 92 HA LEU 15 HA LEU 15 6.528 5.100 2.282 93 HB2 LEU 15 HB2 LEU 15 4.740 6.359 1.153 94 HB3 LEU 15 HB3 LEU 15 6.033 5.902 0.078 95 HG LEU 15 HG LEU 15 3.413 4.395 0.179 96 HD11 LEU 15 HD11 LEU 15 2.961 6.733 -0.320 97 HD12 LEU 15 HD12 LEU 15 2.739 5.733 -1.755 98 HD13 LEU 15 HD13 LEU 15 4.194 6.717 -1.580 99 HD21 LEU 15 HD21 LEU 15 4.052 3.741 -2.099 100 HD22 LEU 15 HD22 LEU 15 5.265 3.221 -0.937 101 HD23 LEU 15 HD23 LEU 15 5.556 4.643 -1.940 102 H CYS 16 H CYS 16 4.086 2.541 1.643 103 HA CYS 16 HA CYS 16 2.724 3.438 4.001 104 HB2 CYS 16 HB2 CYS 16 2.004 1.400 1.918 105 HB3 CYS 16 HB3 CYS 16 0.976 2.030 3.196 106 HN1 NH2 17 HN1 NH2 17 3.223 0.207 2.594 107 HN2 NH2 17 HN2 NH2 17 3.844 -0.506 4.033 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -7.222 4.527 -4.078 2 H2 GLY 1 H2 GLY 1 -6.345 4.396 -5.510 3 H3 GLY 1 H3 GLY 1 -6.935 5.915 -5.006 4 HA2 GLY 1 HA2 GLY 1 -4.608 5.757 -4.544 5 HA3 GLY 1 HA3 GLY 1 -5.532 5.778 -3.045 6 H CYS 2 H CYS 2 -2.992 4.432 -4.402 7 HA CYS 2 HA CYS 2 -3.296 1.637 -4.123 8 HB2 CYS 2 HB2 CYS 2 -1.534 2.854 -5.417 9 HB3 CYS 2 HB3 CYS 2 -0.811 3.255 -3.897 10 H CYS 3 H CYS 3 -1.768 4.029 -2.115 11 HA CYS 3 HA CYS 3 -1.009 2.159 -0.103 12 HB2 CYS 3 HB2 CYS 3 0.105 4.404 -0.537 13 HB3 CYS 3 HB3 CYS 3 -1.226 5.142 0.344 14 H SER 4 H SER 4 -3.961 3.686 -0.742 15 HA SER 4 HA SER 4 -4.989 3.376 1.953 16 HB2 SER 4 HB2 SER 4 -5.633 5.304 0.487 17 HB3 SER 4 HB3 SER 4 -6.406 4.170 -0.613 18 HG SER 4 HG SER 4 -7.857 5.162 0.815 19 H ASP 5 H ASP 5 -4.429 1.425 -0.689 20 HA ASP 5 HA ASP 5 -6.635 -0.409 -0.073 21 HB2 ASP 5 HB2 ASP 5 -6.666 0.347 -2.393 22 HB3 ASP 5 HB3 ASP 5 -4.973 -0.088 -2.583 23 HA PRO 6 HA PRO 6 -3.263 -2.503 1.995 24 HB2 PRO 6 HB2 PRO 6 -5.239 -4.732 2.113 25 HB3 PRO 6 HB3 PRO 6 -4.267 -4.008 3.395 26 HG2 PRO 6 HG2 PRO 6 -6.861 -3.443 3.176 27 HG3 PRO 6 HG3 PRO 6 -5.685 -2.211 3.668 28 HD2 PRO 6 HD2 PRO 6 -7.029 -2.599 1.024 29 HD3 PRO 6 HD3 PRO 6 -6.614 -1.093 1.868 30 HA PRO 7 HA PRO 7 -2.958 -6.327 -1.103 31 HB2 PRO 7 HB2 PRO 7 -4.618 -5.178 -3.287 32 HB3 PRO 7 HB3 PRO 7 -4.389 -6.870 -2.823 33 HG2 PRO 7 HG2 PRO 7 -6.636 -5.621 -2.232 34 HG3 PRO 7 HG3 PRO 7 -5.880 -6.717 -1.059 35 HD2 PRO 7 HD2 PRO 7 -5.902 -3.733 -1.132 36 HD3 PRO 7 HD3 PRO 7 -6.043 -4.827 0.257 37 H CYS 8 H CYS 8 -3.586 -3.090 -2.475 38 HA CYS 8 HA CYS 8 -1.370 -3.150 -4.259 39 HB2 CYS 8 HB2 CYS 8 -3.463 -1.621 -4.361 40 HB3 CYS 8 HB3 CYS 8 -2.656 -0.642 -3.151 41 H ARG 9 H ARG 9 -1.927 -1.672 -1.082 42 HA ARG 9 HA ARG 9 0.493 -0.364 -0.577 43 HB2 ARG 9 HB2 ARG 9 -1.617 -0.399 0.779 44 HB3 ARG 9 HB3 ARG 9 -1.126 -1.959 1.348 45 HG2 ARG 9 HG2 ARG 9 1.003 -1.031 2.149 46 HG3 ARG 9 HG3 ARG 9 0.390 0.575 1.777 47 HD2 ARG 9 HD2 ARG 9 -0.917 -1.378 3.674 48 HD3 ARG 9 HD3 ARG 9 0.106 -0.031 4.165 49 HE ARG 9 HE ARG 9 -1.688 1.296 2.830 50 HH11 ARG 9 HH11 ARG 9 -2.326 -1.479 4.926 51 HH12 ARG 9 HH12 ARG 9 -3.804 -0.857 5.496 52 HH21 ARG 9 HH21 ARG 9 -3.653 2.111 3.597 53 HH22 ARG 9 HH22 ARG 9 -4.603 1.254 4.729 54 H ASN 10 H ASN 10 -0.482 -3.582 -0.057 55 HA ASN 10 HA ASN 10 1.666 -4.662 1.343 56 HB2 ASN 10 HB2 ASN 10 -0.438 -5.901 0.946 57 HB3 ASN 10 HB3 ASN 10 -0.003 -6.065 -0.742 58 HD21 ASN 10 HD21 ASN 10 0.743 -7.065 2.502 59 HD22 ASN 10 HD22 ASN 10 1.649 -8.465 2.063 60 H LYS 11 H LYS 11 1.516 -3.862 -2.006 61 HA LYS 11 HA LYS 11 3.981 -5.237 -2.613 62 HB2 LYS 11 HB2 LYS 11 2.045 -3.611 -4.246 63 HB3 LYS 11 HB3 LYS 11 3.502 -4.319 -4.859 64 HG2 LYS 11 HG2 LYS 11 2.710 -6.558 -4.345 65 HG3 LYS 11 HG3 LYS 11 1.262 -5.879 -3.604 66 HD2 LYS 11 HD2 LYS 11 0.509 -5.030 -5.717 67 HD3 LYS 11 HD3 LYS 11 2.019 -5.502 -6.496 68 HE2 LYS 11 HE2 LYS 11 0.023 -7.396 -5.246 69 HE3 LYS 11 HE3 LYS 11 0.188 -7.083 -6.970 70 HZ1 LYS 11 HZ1 LYS 11 2.420 -7.966 -6.904 71 HZ2 LYS 11 HZ2 LYS 11 1.346 -9.106 -6.322 72 HZ3 LYS 11 HZ3 LYS 11 2.332 -8.263 -5.249 73 H HIS 12 H HIS 12 3.211 -2.445 -1.074 74 HA HIS 12 HA HIS 12 5.530 -1.018 -2.124 75 HB2 HIS 12 HB2 HIS 12 2.782 0.196 -1.880 76 HB3 HIS 12 HB3 HIS 12 4.224 1.110 -2.252 77 HD1 HIS 12 HD1 HIS 12 5.327 0.473 -4.684 78 HD2 HIS 12 HD2 HIS 12 1.551 -0.991 -3.862 79 HE1 HIS 12 HE1 HIS 12 4.365 -0.257 -6.909 80 HA PRO 13 HA PRO 13 5.019 -0.683 2.527 81 HB2 PRO 13 HB2 PRO 13 7.639 -1.961 2.766 82 HB3 PRO 13 HB3 PRO 13 6.089 -2.503 3.415 83 HG2 PRO 13 HG2 PRO 13 7.349 -3.831 1.420 84 HG3 PRO 13 HG3 PRO 13 5.579 -3.749 1.567 85 HD2 PRO 13 HD2 PRO 13 7.401 -2.131 -0.177 86 HD3 PRO 13 HD3 PRO 13 5.883 -2.959 -0.599 87 H ASP 14 H ASP 14 7.082 0.154 0.127 88 HA ASP 14 HA ASP 14 9.188 1.616 1.218 89 HB2 ASP 14 HB2 ASP 14 9.157 1.112 -1.115 90 HB3 ASP 14 HB3 ASP 14 7.653 1.993 -1.348 91 H LEU 15 H LEU 15 5.990 2.762 0.245 92 HA LEU 15 HA LEU 15 6.651 5.228 1.562 93 HB2 LEU 15 HB2 LEU 15 4.945 6.412 0.337 94 HB3 LEU 15 HB3 LEU 15 5.945 5.516 -0.775 95 HG LEU 15 HG LEU 15 3.176 4.642 0.092 96 HD11 LEU 15 HD11 LEU 15 4.031 6.071 -2.417 97 HD12 LEU 15 HD12 LEU 15 3.075 6.758 -1.104 98 HD13 LEU 15 HD13 LEU 15 2.420 5.443 -2.080 99 HD21 LEU 15 HD21 LEU 15 3.297 3.236 -1.940 100 HD22 LEU 15 HD22 LEU 15 4.464 2.778 -0.718 101 HD23 LEU 15 HD23 LEU 15 4.990 3.696 -2.135 102 H CYS 16 H CYS 16 4.634 2.486 1.866 103 HA CYS 16 HA CYS 16 2.975 3.781 3.830 104 HB2 CYS 16 HB2 CYS 16 2.842 1.048 2.599 105 HB3 CYS 16 HB3 CYS 16 1.598 1.894 3.504 106 HN1 NH2 17 HN1 NH2 17 4.706 3.813 5.418 107 HN2 NH2 17 HN2 NH2 17 5.258 2.365 6.180 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -6.782 5.264 -4.301 2 H2 GLY 1 H2 GLY 1 -7.204 6.616 -3.342 3 H3 GLY 1 H3 GLY 1 -7.310 5.044 -2.736 4 HA2 GLY 1 HA2 GLY 1 -4.785 6.293 -3.519 5 HA3 GLY 1 HA3 GLY 1 -5.423 6.194 -1.874 6 H CYS 2 H CYS 2 -3.290 4.802 -3.849 7 HA CYS 2 HA CYS 2 -3.723 2.029 -3.729 8 HB2 CYS 2 HB2 CYS 2 -2.010 3.378 -5.025 9 HB3 CYS 2 HB3 CYS 2 -1.102 3.426 -3.563 10 H CYS 3 H CYS 3 -2.090 4.211 -1.615 11 HA CYS 3 HA CYS 3 -1.130 2.247 0.208 12 HB2 CYS 3 HB2 CYS 3 -0.174 4.513 0.113 13 HB3 CYS 3 HB3 CYS 3 -1.676 5.150 0.770 14 H SER 4 H SER 4 -4.271 3.470 -0.232 15 HA SER 4 HA SER 4 -5.093 2.679 2.436 16 HB2 SER 4 HB2 SER 4 -5.906 4.824 1.389 17 HB3 SER 4 HB3 SER 4 -6.738 3.866 0.181 18 HG SER 4 HG SER 4 -7.155 3.707 2.985 19 H ASP 5 H ASP 5 -4.548 1.307 -0.530 20 HA ASP 5 HA ASP 5 -6.743 -0.613 -0.393 21 HB2 ASP 5 HB2 ASP 5 -6.504 0.463 -2.571 22 HB3 ASP 5 HB3 ASP 5 -4.790 0.110 -2.590 23 HA PRO 6 HA PRO 6 -3.596 -3.021 1.775 24 HB2 PRO 6 HB2 PRO 6 -5.584 -5.192 1.295 25 HB3 PRO 6 HB3 PRO 6 -4.745 -4.738 2.776 26 HG2 PRO 6 HG2 PRO 6 -7.309 -4.059 2.368 27 HG3 PRO 6 HG3 PRO 6 -6.189 -3.004 3.242 28 HD2 PRO 6 HD2 PRO 6 -7.268 -2.744 0.473 29 HD3 PRO 6 HD3 PRO 6 -6.800 -1.479 1.630 30 HA PRO 7 HA PRO 7 -3.100 -6.451 -1.746 31 HB2 PRO 7 HB2 PRO 7 -4.382 -4.908 -3.951 32 HB3 PRO 7 HB3 PRO 7 -4.284 -6.656 -3.719 33 HG2 PRO 7 HG2 PRO 7 -6.545 -5.403 -3.207 34 HG3 PRO 7 HG3 PRO 7 -5.956 -6.668 -2.112 35 HD2 PRO 7 HD2 PRO 7 -5.865 -3.698 -1.780 36 HD3 PRO 7 HD3 PRO 7 -6.211 -4.959 -0.583 37 H CYS 8 H CYS 8 -3.255 -3.026 -2.902 38 HA CYS 8 HA CYS 8 -0.634 -3.541 -3.971 39 HB2 CYS 8 HB2 CYS 8 -0.679 -1.471 -5.127 40 HB3 CYS 8 HB3 CYS 8 -2.218 -2.257 -5.399 41 H ARG 9 H ARG 9 -1.933 -2.109 -1.129 42 HA ARG 9 HA ARG 9 0.241 -0.397 -0.495 43 HB2 ARG 9 HB2 ARG 9 -2.096 -0.698 0.617 44 HB3 ARG 9 HB3 ARG 9 -1.321 -1.958 1.520 45 HG2 ARG 9 HG2 ARG 9 -0.071 0.731 1.474 46 HG3 ARG 9 HG3 ARG 9 -1.395 0.423 2.603 47 HD2 ARG 9 HD2 ARG 9 1.223 -1.096 2.423 48 HD3 ARG 9 HD3 ARG 9 0.833 0.099 3.659 49 HE ARG 9 HE ARG 9 -1.160 -1.695 3.892 50 HH11 ARG 9 HH11 ARG 9 2.358 -2.025 3.938 51 HH12 ARG 9 HH12 ARG 9 2.325 -3.386 4.970 52 HH21 ARG 9 HH21 ARG 9 -1.151 -3.531 5.307 53 HH22 ARG 9 HH22 ARG 9 0.321 -4.277 5.724 54 H ASN 10 H ASN 10 -0.455 -3.701 0.065 55 HA ASN 10 HA ASN 10 1.866 -4.371 1.537 56 HB2 ASN 10 HB2 ASN 10 -0.059 -5.894 1.398 57 HB3 ASN 10 HB3 ASN 10 0.269 -6.186 -0.300 58 HD21 ASN 10 HD21 ASN 10 1.929 -7.656 -0.850 59 HD22 ASN 10 HD22 ASN 10 2.754 -8.605 0.320 60 H LYS 11 H LYS 11 1.545 -3.607 -1.784 61 HA LYS 11 HA LYS 11 4.053 -4.776 -2.617 62 HB2 LYS 11 HB2 LYS 11 1.989 -3.025 -3.933 63 HB3 LYS 11 HB3 LYS 11 3.462 -3.427 -4.692 64 HG2 LYS 11 HG2 LYS 11 1.390 -5.445 -3.816 65 HG3 LYS 11 HG3 LYS 11 1.640 -4.870 -5.464 66 HD2 LYS 11 HD2 LYS 11 3.973 -5.720 -5.333 67 HD3 LYS 11 HD3 LYS 11 3.584 -6.439 -3.775 68 HE2 LYS 11 HE2 LYS 11 2.228 -7.061 -6.387 69 HE3 LYS 11 HE3 LYS 11 3.418 -8.082 -5.588 70 HZ1 LYS 11 HZ1 LYS 11 1.859 -8.271 -3.714 71 HZ2 LYS 11 HZ2 LYS 11 1.202 -8.866 -5.139 72 HZ3 LYS 11 HZ3 LYS 11 0.728 -7.366 -4.561 73 H HIS 12 H HIS 12 2.976 -2.034 -0.997 74 HA HIS 12 HA HIS 12 5.323 -0.511 -1.843 75 HB2 HIS 12 HB2 HIS 12 2.501 0.472 -1.611 76 HB3 HIS 12 HB3 HIS 12 3.858 1.558 -1.794 77 HD1 HIS 12 HD1 HIS 12 5.364 0.766 -4.135 78 HD2 HIS 12 HD2 HIS 12 1.345 -0.122 -3.827 79 HE1 HIS 12 HE1 HIS 12 4.601 0.251 -6.481 80 HA PRO 13 HA PRO 13 4.338 -0.371 2.798 81 HB2 PRO 13 HB2 PRO 13 6.149 -2.047 3.915 82 HB3 PRO 13 HB3 PRO 13 4.586 -2.612 3.315 83 HG2 PRO 13 HG2 PRO 13 7.276 -2.728 1.996 84 HG3 PRO 13 HG3 PRO 13 6.010 -3.973 2.060 85 HD2 PRO 13 HD2 PRO 13 6.433 -2.319 -0.075 86 HD3 PRO 13 HD3 PRO 13 4.859 -3.043 0.307 87 H ASP 14 H ASP 14 7.282 -0.225 0.975 88 HA ASP 14 HA ASP 14 8.667 1.255 3.050 89 HB2 ASP 14 HB2 ASP 14 9.948 -0.443 1.815 90 HB3 ASP 14 HB3 ASP 14 9.593 0.387 0.301 91 H LEU 15 H LEU 15 6.660 1.733 0.355 92 HA LEU 15 HA LEU 15 7.718 4.232 -0.438 93 HB2 LEU 15 HB2 LEU 15 6.722 2.724 -2.063 94 HB3 LEU 15 HB3 LEU 15 5.276 2.626 -1.087 95 HG LEU 15 HG LEU 15 4.906 4.955 -1.439 96 HD11 LEU 15 HD11 LEU 15 7.117 4.586 -3.393 97 HD12 LEU 15 HD12 LEU 15 7.063 5.740 -2.042 98 HD13 LEU 15 HD13 LEU 15 6.038 5.979 -3.475 99 HD21 LEU 15 HD21 LEU 15 4.943 3.161 -3.821 100 HD22 LEU 15 HD22 LEU 15 4.142 4.739 -3.807 101 HD23 LEU 15 HD23 LEU 15 3.614 3.471 -2.688 102 H CYS 16 H CYS 16 4.852 2.771 1.045 103 HA CYS 16 HA CYS 16 4.242 5.180 2.557 104 HB2 CYS 16 HB2 CYS 16 2.726 5.055 0.564 105 HB3 CYS 16 HB3 CYS 16 2.185 3.487 1.186 106 HN1 NH2 17 HN1 NH2 17 3.072 1.703 2.258 107 HN2 NH2 17 HN2 NH2 17 3.037 1.610 3.978 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -7.370 5.930 -2.619 2 H2 GLY 1 H2 GLY 1 -6.431 6.369 -3.946 3 H3 GLY 1 H3 GLY 1 -6.867 7.533 -2.787 4 HA2 GLY 1 HA2 GLY 1 -4.583 6.849 -2.500 5 HA3 GLY 1 HA3 GLY 1 -5.606 6.447 -1.125 6 H CYS 2 H CYS 2 -3.286 5.290 -3.157 7 HA CYS 2 HA CYS 2 -4.127 2.573 -3.538 8 HB2 CYS 2 HB2 CYS 2 -2.261 4.174 -4.607 9 HB3 CYS 2 HB3 CYS 2 -1.282 3.394 -3.406 10 H CYS 3 H CYS 3 -2.510 4.444 -1.177 11 HA CYS 3 HA CYS 3 -1.533 2.240 0.380 12 HB2 CYS 3 HB2 CYS 3 -0.448 4.483 0.342 13 HB3 CYS 3 HB3 CYS 3 -1.836 5.151 1.180 14 H SER 4 H SER 4 -4.555 3.371 -0.134 15 HA SER 4 HA SER 4 -5.549 2.542 2.494 16 HB2 SER 4 HB2 SER 4 -6.310 4.743 1.614 17 HB3 SER 4 HB3 SER 4 -6.962 3.929 0.195 18 HG SER 4 HG SER 4 -7.930 2.810 2.467 19 H ASP 5 H ASP 5 -4.640 1.226 -0.303 20 HA ASP 5 HA ASP 5 -6.777 -0.754 -0.326 21 HB2 ASP 5 HB2 ASP 5 -6.859 0.553 -2.378 22 HB3 ASP 5 HB3 ASP 5 -5.135 0.315 -2.627 23 HA PRO 6 HA PRO 6 -3.296 -2.973 1.422 24 HB2 PRO 6 HB2 PRO 6 -5.202 -5.226 0.948 25 HB3 PRO 6 HB3 PRO 6 -4.239 -4.841 2.375 26 HG2 PRO 6 HG2 PRO 6 -6.834 -4.260 2.320 27 HG3 PRO 6 HG3 PRO 6 -5.663 -3.166 3.073 28 HD2 PRO 6 HD2 PRO 6 -7.072 -2.915 0.452 29 HD3 PRO 6 HD3 PRO 6 -6.595 -1.653 1.607 30 HA PRO 7 HA PRO 7 -2.848 -6.124 -2.415 31 HB2 PRO 7 HB2 PRO 7 -4.253 -4.284 -4.313 32 HB3 PRO 7 HB3 PRO 7 -4.053 -6.040 -4.401 33 HG2 PRO 7 HG2 PRO 7 -6.351 -5.053 -3.585 34 HG3 PRO 7 HG3 PRO 7 -5.631 -6.431 -2.729 35 HD2 PRO 7 HD2 PRO 7 -5.749 -3.557 -1.945 36 HD3 PRO 7 HD3 PRO 7 -5.897 -5.011 -0.940 37 H CYS 8 H CYS 8 -3.058 -2.579 -3.144 38 HA CYS 8 HA CYS 8 -0.403 -2.840 -4.327 39 HB2 CYS 8 HB2 CYS 8 -0.746 -0.704 -5.375 40 HB3 CYS 8 HB3 CYS 8 -2.182 -1.684 -5.631 41 H ARG 9 H ARG 9 -1.283 -2.548 -1.349 42 HA ARG 9 HA ARG 9 0.633 -0.376 -0.720 43 HB2 ARG 9 HB2 ARG 9 -1.717 -0.248 0.163 44 HB3 ARG 9 HB3 ARG 9 -1.350 -1.675 1.085 45 HG2 ARG 9 HG2 ARG 9 0.601 -0.554 2.062 46 HG3 ARG 9 HG3 ARG 9 0.057 0.938 1.316 47 HD2 ARG 9 HD2 ARG 9 -2.036 0.854 2.534 48 HD3 ARG 9 HD3 ARG 9 -1.604 -0.705 3.231 49 HE ARG 9 HE ARG 9 0.405 1.015 3.935 50 HH11 ARG 9 HH11 ARG 9 -3.098 0.929 4.432 51 HH12 ARG 9 HH12 ARG 9 -3.041 1.660 5.973 52 HH21 ARG 9 HH21 ARG 9 0.465 2.075 6.021 53 HH22 ARG 9 HH22 ARG 9 -0.963 2.350 6.895 54 H ASN 10 H ASN 10 -0.504 -3.488 0.265 55 HA ASN 10 HA ASN 10 1.450 -4.048 2.204 56 HB2 ASN 10 HB2 ASN 10 -0.657 -5.311 2.070 57 HB3 ASN 10 HB3 ASN 10 -0.116 -6.059 0.572 58 HD21 ASN 10 HD21 ASN 10 1.334 -7.767 0.664 59 HD22 ASN 10 HD22 ASN 10 1.837 -8.467 2.145 60 H LYS 11 H LYS 11 1.600 -4.358 -1.205 61 HA LYS 11 HA LYS 11 4.063 -5.851 -1.125 62 HB2 LYS 11 HB2 LYS 11 2.284 -4.787 -3.262 63 HB3 LYS 11 HB3 LYS 11 3.894 -5.316 -3.642 64 HG2 LYS 11 HG2 LYS 11 3.333 -7.533 -2.636 65 HG3 LYS 11 HG3 LYS 11 1.682 -6.955 -2.426 66 HD2 LYS 11 HD2 LYS 11 1.375 -6.729 -4.775 67 HD3 LYS 11 HD3 LYS 11 3.091 -7.011 -5.081 68 HE2 LYS 11 HE2 LYS 11 1.771 -8.993 -5.589 69 HE3 LYS 11 HE3 LYS 11 2.878 -9.290 -4.255 70 HZ1 LYS 11 HZ1 LYS 11 1.003 -8.979 -2.719 71 HZ2 LYS 11 HZ2 LYS 11 0.723 -10.222 -3.818 72 HZ3 LYS 11 HZ3 LYS 11 -0.025 -8.741 -4.034 73 H HIS 12 H HIS 12 3.260 -2.708 -0.564 74 HA HIS 12 HA HIS 12 5.760 -1.727 -1.720 75 HB2 HIS 12 HB2 HIS 12 3.064 -0.425 -1.973 76 HB3 HIS 12 HB3 HIS 12 4.558 0.324 -2.483 77 HD1 HIS 12 HD1 HIS 12 5.835 -1.171 -4.518 78 HD2 HIS 12 HD2 HIS 12 1.848 -1.894 -3.698 79 HE1 HIS 12 HE1 HIS 12 4.956 -2.403 -6.527 80 HA PRO 13 HA PRO 13 4.839 -0.084 2.619 81 HB2 PRO 13 HB2 PRO 13 6.567 -1.467 4.128 82 HB3 PRO 13 HB3 PRO 13 5.016 -2.179 3.664 83 HG2 PRO 13 HG2 PRO 13 7.724 -2.627 2.474 84 HG3 PRO 13 HG3 PRO 13 6.469 -3.814 2.875 85 HD2 PRO 13 HD2 PRO 13 6.886 -2.816 0.353 86 HD3 PRO 13 HD3 PRO 13 5.328 -3.439 0.924 87 H ASP 14 H ASP 14 7.020 -0.072 0.355 88 HA ASP 14 HA ASP 14 9.336 1.124 1.543 89 HB2 ASP 14 HB2 ASP 14 9.605 -0.094 -0.502 90 HB3 ASP 14 HB3 ASP 14 8.408 0.906 -1.319 91 H LEU 15 H LEU 15 6.440 2.297 -0.082 92 HA LEU 15 HA LEU 15 7.429 4.937 0.426 93 HB2 LEU 15 HB2 LEU 15 5.811 5.856 -1.203 94 HB3 LEU 15 HB3 LEU 15 6.981 4.772 -1.903 95 HG LEU 15 HG LEU 15 4.175 3.853 -1.262 96 HD11 LEU 15 HD11 LEU 15 4.018 5.832 -2.702 97 HD12 LEU 15 HD12 LEU 15 3.613 4.367 -3.595 98 HD13 LEU 15 HD13 LEU 15 5.191 5.121 -3.810 99 HD21 LEU 15 HD21 LEU 15 5.809 2.093 -1.760 100 HD22 LEU 15 HD22 LEU 15 6.277 2.942 -3.230 101 HD23 LEU 15 HD23 LEU 15 4.655 2.269 -3.087 102 H CYS 16 H CYS 16 4.609 2.887 0.975 103 HA CYS 16 HA CYS 16 3.925 4.645 3.153 104 HB2 CYS 16 HB2 CYS 16 2.678 5.485 1.131 105 HB3 CYS 16 HB3 CYS 16 1.893 3.917 1.034 106 HN1 NH2 17 HN1 NH2 17 4.443 2.986 4.498 107 HN2 NH2 17 HN2 NH2 17 3.594 1.481 4.559 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -5.951 7.162 -3.617 2 H2 GLY 1 H2 GLY 1 -6.413 5.521 -3.545 3 H3 GLY 1 H3 GLY 1 -5.116 5.990 -4.513 4 HA2 GLY 1 HA2 GLY 1 -3.848 6.612 -2.607 5 HA3 GLY 1 HA3 GLY 1 -5.221 6.205 -1.588 6 H CYS 2 H CYS 2 -2.405 5.074 -2.994 7 HA CYS 2 HA CYS 2 -3.063 2.318 -3.346 8 HB2 CYS 2 HB2 CYS 2 -1.065 3.650 -4.260 9 HB3 CYS 2 HB3 CYS 2 -0.378 3.445 -2.688 10 H CYS 3 H CYS 3 -1.712 4.261 -0.860 11 HA CYS 3 HA CYS 3 -1.177 2.133 0.913 12 HB2 CYS 3 HB2 CYS 3 -0.186 4.400 1.193 13 HB3 CYS 3 HB3 CYS 3 -1.753 4.981 1.737 14 H SER 4 H SER 4 -4.119 3.754 0.104 15 HA SER 4 HA SER 4 -5.620 2.765 2.347 16 HB2 SER 4 HB2 SER 4 -6.503 4.100 -0.206 17 HB3 SER 4 HB3 SER 4 -7.411 3.946 1.298 18 HG SER 4 HG SER 4 -6.421 5.995 1.021 19 H ASP 5 H ASP 5 -4.342 1.366 -0.359 20 HA ASP 5 HA ASP 5 -6.601 -0.454 -0.704 21 HB2 ASP 5 HB2 ASP 5 -6.290 0.816 -2.744 22 HB3 ASP 5 HB3 ASP 5 -4.570 0.461 -2.744 23 HA PRO 6 HA PRO 6 -3.523 -2.932 1.430 24 HB2 PRO 6 HB2 PRO 6 -5.678 -4.948 0.965 25 HB3 PRO 6 HB3 PRO 6 -4.748 -4.597 2.423 26 HG2 PRO 6 HG2 PRO 6 -7.251 -3.715 2.154 27 HG3 PRO 6 HG3 PRO 6 -6.010 -2.748 2.967 28 HD2 PRO 6 HD2 PRO 6 -7.203 -2.417 0.258 29 HD3 PRO 6 HD3 PRO 6 -6.613 -1.185 1.390 30 HA PRO 7 HA PRO 7 -3.434 -6.257 -2.355 31 HB2 PRO 7 HB2 PRO 7 -4.472 -4.202 -4.257 32 HB3 PRO 7 HB3 PRO 7 -4.517 -5.968 -4.383 33 HG2 PRO 7 HG2 PRO 7 -6.677 -4.668 -3.629 34 HG3 PRO 7 HG3 PRO 7 -6.196 -6.161 -2.800 35 HD2 PRO 7 HD2 PRO 7 -5.972 -3.338 -1.893 36 HD3 PRO 7 HD3 PRO 7 -6.299 -4.808 -0.955 37 H CYS 8 H CYS 8 -3.089 -2.720 -3.120 38 HA CYS 8 HA CYS 8 -0.507 -3.433 -4.166 39 HB2 CYS 8 HB2 CYS 8 -0.274 -1.201 -5.032 40 HB3 CYS 8 HB3 CYS 8 -1.878 -1.788 -5.426 41 H ARG 9 H ARG 9 -1.775 -1.845 -1.317 42 HA ARG 9 HA ARG 9 0.618 -0.617 -0.455 43 HB2 ARG 9 HB2 ARG 9 -1.847 -0.482 0.370 44 HB3 ARG 9 HB3 ARG 9 -1.383 -1.784 1.406 45 HG2 ARG 9 HG2 ARG 9 0.432 0.521 1.416 46 HG3 ARG 9 HG3 ARG 9 -1.129 0.735 2.227 47 HD2 ARG 9 HD2 ARG 9 0.793 -1.510 2.784 48 HD3 ARG 9 HD3 ARG 9 0.727 -0.023 3.735 49 HE ARG 9 HE ARG 9 -1.702 -1.610 3.420 50 HH11 ARG 9 HH11 ARG 9 0.883 -0.508 5.566 51 HH12 ARG 9 HH12 ARG 9 0.103 -1.016 6.993 52 HH21 ARG 9 HH21 ARG 9 -2.787 -2.234 5.340 53 HH22 ARG 9 HH22 ARG 9 -2.082 -1.993 6.867 54 H ASN 10 H ASN 10 -0.673 -3.733 -0.019 55 HA ASN 10 HA ASN 10 1.244 -4.862 1.721 56 HB2 ASN 10 HB2 ASN 10 -0.841 -6.039 1.232 57 HB3 ASN 10 HB3 ASN 10 -0.408 -6.173 -0.456 58 HD21 ASN 10 HD21 ASN 10 1.828 -6.891 2.211 59 HD22 ASN 10 HD22 ASN 10 1.879 -8.578 1.914 60 H LYS 11 H LYS 11 1.528 -4.036 -1.591 61 HA LYS 11 HA LYS 11 3.937 -5.588 -1.923 62 HB2 LYS 11 HB2 LYS 11 2.401 -3.757 -3.735 63 HB3 LYS 11 HB3 LYS 11 3.804 -4.666 -4.186 64 HG2 LYS 11 HG2 LYS 11 2.589 -6.769 -3.721 65 HG3 LYS 11 HG3 LYS 11 1.168 -5.820 -3.286 66 HD2 LYS 11 HD2 LYS 11 0.925 -6.622 -5.548 67 HD3 LYS 11 HD3 LYS 11 1.155 -4.873 -5.571 68 HE2 LYS 11 HE2 LYS 11 3.514 -5.190 -6.131 69 HE3 LYS 11 HE3 LYS 11 3.292 -6.937 -6.075 70 HZ1 LYS 11 HZ1 LYS 11 3.245 -6.165 -8.314 71 HZ2 LYS 11 HZ2 LYS 11 2.040 -5.042 -7.974 72 HZ3 LYS 11 HZ3 LYS 11 1.686 -6.682 -7.918 73 H HIS 12 H HIS 12 3.020 -2.622 -0.636 74 HA HIS 12 HA HIS 12 5.546 -1.411 -1.499 75 HB2 HIS 12 HB2 HIS 12 2.901 0.037 -1.626 76 HB3 HIS 12 HB3 HIS 12 4.466 0.791 -1.850 77 HD1 HIS 12 HD1 HIS 12 5.752 0.117 -4.133 78 HD2 HIS 12 HD2 HIS 12 1.869 -1.214 -3.687 79 HE1 HIS 12 HE1 HIS 12 5.041 -0.705 -6.418 80 HA PRO 13 HA PRO 13 5.116 -0.516 2.979 81 HB2 PRO 13 HB2 PRO 13 7.791 -1.524 3.336 82 HB3 PRO 13 HB3 PRO 13 6.285 -2.209 3.948 83 HG2 PRO 13 HG2 PRO 13 7.848 -3.413 2.029 84 HG3 PRO 13 HG3 PRO 13 6.106 -3.686 2.213 85 HD2 PRO 13 HD2 PRO 13 7.554 -1.907 0.289 86 HD3 PRO 13 HD3 PRO 13 6.145 -2.957 0.010 87 H ASP 14 H ASP 14 7.359 0.254 0.501 88 HA ASP 14 HA ASP 14 8.758 2.230 2.138 89 HB2 ASP 14 HB2 ASP 14 10.140 0.827 0.676 90 HB3 ASP 14 HB3 ASP 14 9.232 1.369 -0.725 91 H LEU 15 H LEU 15 6.184 2.048 -0.172 92 HA LEU 15 HA LEU 15 6.383 4.763 -0.912 93 HB2 LEU 15 HB2 LEU 15 5.632 3.031 -2.471 94 HB3 LEU 15 HB3 LEU 15 4.347 2.615 -1.348 95 HG LEU 15 HG LEU 15 3.396 4.741 -1.615 96 HD11 LEU 15 HD11 LEU 15 4.058 6.189 -3.581 97 HD12 LEU 15 HD12 LEU 15 5.459 5.142 -3.810 98 HD13 LEU 15 HD13 LEU 15 5.298 6.089 -2.333 99 HD21 LEU 15 HD21 LEU 15 2.451 4.370 -3.898 100 HD22 LEU 15 HD22 LEU 15 2.516 2.921 -2.897 101 HD23 LEU 15 HD23 LEU 15 3.715 3.169 -4.165 102 H CYS 16 H CYS 16 4.772 2.719 1.404 103 HA CYS 16 HA CYS 16 3.831 5.100 2.735 104 HB2 CYS 16 HB2 CYS 16 1.887 4.148 1.441 105 HB3 CYS 16 HB3 CYS 16 2.050 2.678 2.398 106 HN1 NH2 17 HN1 NH2 17 5.369 4.857 4.235 107 HN2 NH2 17 HN2 NH2 17 5.523 3.474 5.257 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -7.264 5.687 -5.535 2 H2 GLY 1 H2 GLY 1 -6.915 4.054 -5.839 3 H3 GLY 1 H3 GLY 1 -5.695 5.189 -5.945 4 HA2 GLY 1 HA2 GLY 1 -5.798 5.585 -3.596 5 HA3 GLY 1 HA3 GLY 1 -7.145 4.450 -3.480 6 H CYS 2 H CYS 2 -3.853 4.782 -3.200 7 HA CYS 2 HA CYS 2 -3.425 1.963 -3.876 8 HB2 CYS 2 HB2 CYS 2 -2.102 3.748 -5.064 9 HB3 CYS 2 HB3 CYS 2 -1.371 4.109 -3.534 10 H CYS 3 H CYS 3 -2.313 4.447 -1.678 11 HA CYS 3 HA CYS 3 -1.039 2.713 0.122 12 HB2 CYS 3 HB2 CYS 3 -0.578 5.153 -0.100 13 HB3 CYS 3 HB3 CYS 3 -2.090 5.484 0.731 14 H SER 4 H SER 4 -4.437 3.694 0.028 15 HA SER 4 HA SER 4 -4.938 2.589 2.635 16 HB2 SER 4 HB2 SER 4 -6.786 3.649 0.520 17 HB3 SER 4 HB3 SER 4 -7.176 3.320 2.210 18 HG SER 4 HG SER 4 -5.056 4.856 2.198 19 H ASP 5 H ASP 5 -4.582 1.388 -0.476 20 HA ASP 5 HA ASP 5 -6.642 -0.673 -0.198 21 HB2 ASP 5 HB2 ASP 5 -6.700 0.569 -2.300 22 HB3 ASP 5 HB3 ASP 5 -4.999 0.235 -2.570 23 HA PRO 6 HA PRO 6 -3.369 -3.153 1.544 24 HB2 PRO 6 HB2 PRO 6 -5.186 -5.366 0.701 25 HB3 PRO 6 HB3 PRO 6 -4.388 -5.077 2.244 26 HG2 PRO 6 HG2 PRO 6 -6.981 -4.507 1.920 27 HG3 PRO 6 HG3 PRO 6 -5.917 -3.519 2.932 28 HD2 PRO 6 HD2 PRO 6 -7.052 -2.925 0.248 29 HD3 PRO 6 HD3 PRO 6 -6.629 -1.826 1.572 30 HA PRO 7 HA PRO 7 -2.225 -5.870 -2.307 31 HB2 PRO 7 HB2 PRO 7 -3.831 -4.625 -4.464 32 HB3 PRO 7 HB3 PRO 7 -3.476 -6.334 -4.189 33 HG2 PRO 7 HG2 PRO 7 -5.902 -5.373 -3.713 34 HG3 PRO 7 HG3 PRO 7 -5.173 -6.558 -2.612 35 HD2 PRO 7 HD2 PRO 7 -5.401 -3.590 -2.319 36 HD3 PRO 7 HD3 PRO 7 -5.704 -4.860 -1.117 37 H CYS 8 H CYS 8 -2.990 -2.475 -2.432 38 HA CYS 8 HA CYS 8 -0.632 -1.944 -4.096 39 HB2 CYS 8 HB2 CYS 8 -3.084 -1.029 -4.500 40 HB3 CYS 8 HB3 CYS 8 -2.624 0.138 -3.268 41 H ARG 9 H ARG 9 -1.175 -2.528 -1.048 42 HA ARG 9 HA ARG 9 0.396 -0.253 -0.027 43 HB2 ARG 9 HB2 ARG 9 -1.904 -0.554 0.843 44 HB3 ARG 9 HB3 ARG 9 -1.431 -2.125 1.400 45 HG2 ARG 9 HG2 ARG 9 0.297 -1.208 2.776 46 HG3 ARG 9 HG3 ARG 9 -0.182 0.421 2.299 47 HD2 ARG 9 HD2 ARG 9 -1.187 -0.158 4.482 48 HD3 ARG 9 HD3 ARG 9 -2.421 0.054 3.242 49 HE ARG 9 HE ARG 9 -1.474 -2.657 3.758 50 HH11 ARG 9 HH11 ARG 9 -4.041 -0.267 4.157 51 HH12 ARG 9 HH12 ARG 9 -5.212 -1.371 4.701 52 HH21 ARG 9 HH21 ARG 9 -3.058 -4.191 4.554 53 HH22 ARG 9 HH22 ARG 9 -4.638 -3.660 4.939 54 H ASN 10 H ASN 10 -0.345 -3.606 0.605 55 HA ASN 10 HA ASN 10 1.991 -3.963 2.174 56 HB2 ASN 10 HB2 ASN 10 0.090 -6.046 1.099 57 HB3 ASN 10 HB3 ASN 10 1.414 -6.397 2.203 58 HD21 ASN 10 HD21 ASN 10 0.120 -7.082 3.877 59 HD22 ASN 10 HD22 ASN 10 -0.890 -6.023 4.784 60 H LYS 11 H LYS 11 1.496 -4.142 -1.181 61 HA LYS 11 HA LYS 11 3.938 -5.632 -1.674 62 HB2 LYS 11 HB2 LYS 11 1.975 -4.230 -3.457 63 HB3 LYS 11 HB3 LYS 11 3.302 -5.212 -3.998 64 HG2 LYS 11 HG2 LYS 11 0.955 -6.225 -2.395 65 HG3 LYS 11 HG3 LYS 11 1.027 -6.252 -4.146 66 HD2 LYS 11 HD2 LYS 11 1.573 -8.435 -3.462 67 HD3 LYS 11 HD3 LYS 11 3.111 -7.699 -3.886 68 HE2 LYS 11 HE2 LYS 11 3.687 -7.438 -1.570 69 HE3 LYS 11 HE3 LYS 11 2.061 -7.895 -1.056 70 HZ1 LYS 11 HZ1 LYS 11 3.683 -9.639 -0.785 71 HZ2 LYS 11 HZ2 LYS 11 4.040 -9.633 -2.426 72 HZ3 LYS 11 HZ3 LYS 11 2.501 -10.108 -1.890 73 H HIS 12 H HIS 12 3.217 -2.636 -0.632 74 HA HIS 12 HA HIS 12 5.421 -1.318 -2.059 75 HB2 HIS 12 HB2 HIS 12 2.639 -0.204 -1.651 76 HB3 HIS 12 HB3 HIS 12 3.945 0.687 -2.382 77 HD1 HIS 12 HD1 HIS 12 4.570 -0.110 -4.926 78 HD2 HIS 12 HD2 HIS 12 1.294 -1.889 -3.140 79 HE1 HIS 12 HE1 HIS 12 3.348 -1.279 -6.788 80 HA PRO 13 HA PRO 13 4.660 -0.816 2.626 81 HB2 PRO 13 HB2 PRO 13 7.215 -2.063 3.225 82 HB3 PRO 13 HB3 PRO 13 5.595 -2.589 3.677 83 HG2 PRO 13 HG2 PRO 13 7.145 -3.935 1.890 84 HG3 PRO 13 HG3 PRO 13 5.375 -3.941 1.844 85 HD2 PRO 13 HD2 PRO 13 7.304 -2.324 0.218 86 HD3 PRO 13 HD3 PRO 13 5.828 -3.168 -0.300 87 H ASP 14 H ASP 14 7.369 -0.048 0.634 88 HA ASP 14 HA ASP 14 8.556 1.645 2.659 89 HB2 ASP 14 HB2 ASP 14 10.057 0.388 1.237 90 HB3 ASP 14 HB3 ASP 14 9.395 1.147 -0.202 91 H LEU 15 H LEU 15 6.644 2.022 -0.262 92 HA LEU 15 HA LEU 15 6.873 4.847 0.049 93 HB2 LEU 15 HB2 LEU 15 5.542 5.071 -2.032 94 HB3 LEU 15 HB3 LEU 15 6.960 4.080 -2.230 95 HG LEU 15 HG LEU 15 5.330 2.090 -1.982 96 HD11 LEU 15 HD11 LEU 15 3.373 4.265 -2.692 97 HD12 LEU 15 HD12 LEU 15 3.380 3.303 -1.214 98 HD13 LEU 15 HD13 LEU 15 3.043 2.535 -2.768 99 HD21 LEU 15 HD21 LEU 15 4.847 2.147 -4.379 100 HD22 LEU 15 HD22 LEU 15 6.499 2.663 -4.035 101 HD23 LEU 15 HD23 LEU 15 5.262 3.859 -4.419 102 H CYS 16 H CYS 16 4.788 2.369 0.966 103 HA CYS 16 HA CYS 16 3.162 4.306 2.373 104 HB2 CYS 16 HB2 CYS 16 1.756 3.760 0.487 105 HB3 CYS 16 HB3 CYS 16 2.042 2.037 0.709 106 HN1 NH2 17 HN1 NH2 17 2.914 0.781 2.048 107 HN2 NH2 17 HN2 NH2 17 3.298 0.445 3.695 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -8.338 5.722 -2.752 2 H2 GLY 1 H2 GLY 1 -7.649 6.068 -4.247 3 H3 GLY 1 H3 GLY 1 -8.016 7.325 -3.180 4 HA2 GLY 1 HA2 GLY 1 -5.644 6.842 -3.157 5 HA3 GLY 1 HA3 GLY 1 -6.393 6.456 -1.607 6 H CYS 2 H CYS 2 -4.167 5.332 -3.677 7 HA CYS 2 HA CYS 2 -5.095 2.625 -4.031 8 HB2 CYS 2 HB2 CYS 2 -3.482 4.157 -5.460 9 HB3 CYS 2 HB3 CYS 2 -2.285 3.464 -4.410 10 H CYS 3 H CYS 3 -2.933 4.418 -2.039 11 HA CYS 3 HA CYS 3 -1.832 2.102 -0.735 12 HB2 CYS 3 HB2 CYS 3 -0.614 4.296 -0.931 13 HB3 CYS 3 HB3 CYS 3 -1.732 4.981 0.232 14 H SER 4 H SER 4 -4.797 3.495 -0.576 15 HA SER 4 HA SER 4 -5.340 2.764 2.183 16 HB2 SER 4 HB2 SER 4 -6.442 4.771 1.117 17 HB3 SER 4 HB3 SER 4 -7.256 3.685 0.001 18 HG SER 4 HG SER 4 -7.703 2.889 2.564 19 H ASP 5 H ASP 5 -4.994 1.269 -0.763 20 HA ASP 5 HA ASP 5 -6.871 -0.896 -0.225 21 HB2 ASP 5 HB2 ASP 5 -7.019 -0.046 -2.479 22 HB3 ASP 5 HB3 ASP 5 -5.272 -0.080 -2.664 23 HA PRO 6 HA PRO 6 -3.378 -2.846 1.745 24 HB2 PRO 6 HB2 PRO 6 -4.938 -5.341 1.289 25 HB3 PRO 6 HB3 PRO 6 -4.224 -4.712 2.771 26 HG2 PRO 6 HG2 PRO 6 -6.851 -4.533 2.327 27 HG3 PRO 6 HG3 PRO 6 -5.964 -3.259 3.176 28 HD2 PRO 6 HD2 PRO 6 -7.006 -3.303 0.377 29 HD3 PRO 6 HD3 PRO 6 -6.880 -1.950 1.519 30 HA PRO 7 HA PRO 7 -2.018 -5.908 -1.761 31 HB2 PRO 7 HB2 PRO 7 -3.687 -4.848 -3.986 32 HB3 PRO 7 HB3 PRO 7 -3.123 -6.498 -3.705 33 HG2 PRO 7 HG2 PRO 7 -5.649 -5.856 -3.242 34 HG3 PRO 7 HG3 PRO 7 -4.778 -6.937 -2.140 35 HD2 PRO 7 HD2 PRO 7 -5.472 -4.048 -1.816 36 HD3 PRO 7 HD3 PRO 7 -5.485 -5.352 -0.611 37 H CYS 8 H CYS 8 -3.256 -2.693 -2.740 38 HA CYS 8 HA CYS 8 -0.806 -2.066 -4.120 39 HB2 CYS 8 HB2 CYS 8 -3.040 -1.231 -4.891 40 HB3 CYS 8 HB3 CYS 8 -3.139 -0.245 -3.442 41 H ARG 9 H ARG 9 -1.274 -2.364 -0.987 42 HA ARG 9 HA ARG 9 0.439 -0.060 -0.251 43 HB2 ARG 9 HB2 ARG 9 -1.893 -0.327 0.717 44 HB3 ARG 9 HB3 ARG 9 -1.293 -1.757 1.489 45 HG2 ARG 9 HG2 ARG 9 0.348 -0.518 2.728 46 HG3 ARG 9 HG3 ARG 9 -0.171 0.973 1.931 47 HD2 ARG 9 HD2 ARG 9 -2.408 0.715 2.841 48 HD3 ARG 9 HD3 ARG 9 -1.942 -0.787 3.617 49 HE ARG 9 HE ARG 9 -0.313 0.676 4.886 50 HH11 ARG 9 HH11 ARG 9 -3.261 2.088 3.573 51 HH12 ARG 9 HH12 ARG 9 -3.664 2.969 4.977 52 HH21 ARG 9 HH21 ARG 9 -0.773 1.969 6.779 53 HH22 ARG 9 HH22 ARG 9 -2.207 2.906 6.850 54 H ASN 10 H ASN 10 -0.329 -3.372 0.425 55 HA ASN 10 HA ASN 10 1.913 -3.987 2.040 56 HB2 ASN 10 HB2 ASN 10 -0.182 -5.283 2.115 57 HB3 ASN 10 HB3 ASN 10 0.135 -5.885 0.496 58 HD21 ASN 10 HD21 ASN 10 1.063 -6.031 3.834 59 HD22 ASN 10 HD22 ASN 10 1.981 -7.481 3.738 60 H LYS 11 H LYS 11 1.592 -3.889 -1.377 61 HA LYS 11 HA LYS 11 4.012 -5.385 -1.880 62 HB2 LYS 11 HB2 LYS 11 2.123 -3.775 -3.555 63 HB3 LYS 11 HB3 LYS 11 3.523 -4.559 -4.213 64 HG2 LYS 11 HG2 LYS 11 2.599 -6.744 -3.515 65 HG3 LYS 11 HG3 LYS 11 1.194 -5.910 -2.847 66 HD2 LYS 11 HD2 LYS 11 0.698 -5.019 -5.086 67 HD3 LYS 11 HD3 LYS 11 2.065 -5.934 -5.727 68 HE2 LYS 11 HE2 LYS 11 1.008 -8.007 -5.010 69 HE3 LYS 11 HE3 LYS 11 -0.354 -7.092 -4.364 70 HZ1 LYS 11 HZ1 LYS 11 0.462 -7.195 -7.222 71 HZ2 LYS 11 HZ2 LYS 11 -0.839 -6.315 -6.596 72 HZ3 LYS 11 HZ3 LYS 11 -0.856 -7.974 -6.525 73 H HIS 12 H HIS 12 3.313 -2.443 -0.656 74 HA HIS 12 HA HIS 12 5.641 -1.155 -1.866 75 HB2 HIS 12 HB2 HIS 12 2.934 0.066 -1.344 76 HB3 HIS 12 HB3 HIS 12 4.333 0.991 -1.852 77 HD1 HIS 12 HD1 HIS 12 5.224 0.398 -4.326 78 HD2 HIS 12 HD2 HIS 12 1.570 -1.204 -3.234 79 HE1 HIS 12 HE1 HIS 12 4.188 -0.512 -6.462 80 HA PRO 13 HA PRO 13 5.284 -0.882 2.910 81 HB2 PRO 13 HB2 PRO 13 7.479 -2.315 3.632 82 HB3 PRO 13 HB3 PRO 13 5.893 -3.065 3.424 83 HG2 PRO 13 HG2 PRO 13 8.198 -2.967 1.519 84 HG3 PRO 13 HG3 PRO 13 7.157 -4.339 1.943 85 HD2 PRO 13 HD2 PRO 13 6.799 -2.926 -0.318 86 HD3 PRO 13 HD3 PRO 13 5.439 -3.619 0.580 87 H ASP 14 H ASP 14 7.482 -0.359 0.448 88 HA ASP 14 HA ASP 14 9.489 1.035 1.889 89 HB2 ASP 14 HB2 ASP 14 9.998 0.055 -0.282 90 HB3 ASP 14 HB3 ASP 14 8.805 1.098 -1.052 91 H LEU 15 H LEU 15 6.844 2.196 -0.256 92 HA LEU 15 HA LEU 15 7.295 4.773 0.890 93 HB2 LEU 15 HB2 LEU 15 5.917 5.732 -0.907 94 HB3 LEU 15 HB3 LEU 15 7.245 4.783 -1.513 95 HG LEU 15 HG LEU 15 5.421 2.910 -1.795 96 HD11 LEU 15 HD11 LEU 15 3.699 5.367 -1.762 97 HD12 LEU 15 HD12 LEU 15 3.639 4.023 -0.618 98 HD13 LEU 15 HD13 LEU 15 3.216 3.762 -2.311 99 HD21 LEU 15 HD21 LEU 15 5.512 5.338 -3.581 100 HD22 LEU 15 HD22 LEU 15 4.929 3.739 -4.040 101 HD23 LEU 15 HD23 LEU 15 6.629 3.975 -3.634 102 H CYS 16 H CYS 16 4.950 2.214 1.059 103 HA CYS 16 HA CYS 16 3.167 3.906 2.547 104 HB2 CYS 16 HB2 CYS 16 2.997 1.223 1.252 105 HB3 CYS 16 HB3 CYS 16 1.812 1.701 2.464 106 HN1 NH2 17 HN1 NH2 17 3.741 0.456 3.046 107 HN2 NH2 17 HN2 NH2 17 4.312 0.610 4.660 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -6.522 5.509 -2.912 2 H2 GLY 1 H2 GLY 1 -6.035 7.111 -3.126 3 H3 GLY 1 H3 GLY 1 -5.620 6.283 -1.710 4 HA2 GLY 1 HA2 GLY 1 -4.649 5.687 -4.430 5 HA3 GLY 1 HA3 GLY 1 -3.715 6.400 -3.121 6 H CYS 2 H CYS 2 -2.387 4.479 -3.797 7 HA CYS 2 HA CYS 2 -3.170 1.797 -3.422 8 HB2 CYS 2 HB2 CYS 2 -1.180 2.815 -4.655 9 HB3 CYS 2 HB3 CYS 2 -0.431 2.902 -3.099 10 H CYS 3 H CYS 3 -1.582 4.088 -1.408 11 HA CYS 3 HA CYS 3 -0.905 2.366 0.721 12 HB2 CYS 3 HB2 CYS 3 0.069 4.641 0.408 13 HB3 CYS 3 HB3 CYS 3 -1.456 5.333 0.946 14 H SER 4 H SER 4 -3.984 3.686 -0.119 15 HA SER 4 HA SER 4 -5.014 2.957 2.491 16 HB2 SER 4 HB2 SER 4 -5.556 5.215 1.613 17 HB3 SER 4 HB3 SER 4 -6.370 4.476 0.236 18 HG SER 4 HG SER 4 -7.174 3.652 2.750 19 H ASP 5 H ASP 5 -4.275 1.393 -0.204 20 HA ASP 5 HA ASP 5 -6.734 -0.188 -0.236 21 HB2 ASP 5 HB2 ASP 5 -6.560 1.254 -2.227 22 HB3 ASP 5 HB3 ASP 5 -4.999 0.542 -2.598 23 HA PRO 6 HA PRO 6 -3.602 -2.920 1.480 24 HB2 PRO 6 HB2 PRO 6 -5.887 -4.799 1.126 25 HB3 PRO 6 HB3 PRO 6 -4.823 -4.572 2.520 26 HG2 PRO 6 HG2 PRO 6 -7.276 -3.537 2.513 27 HG3 PRO 6 HG3 PRO 6 -5.911 -2.649 3.209 28 HD2 PRO 6 HD2 PRO 6 -7.345 -2.202 0.638 29 HD3 PRO 6 HD3 PRO 6 -6.581 -1.028 1.730 30 HA PRO 7 HA PRO 7 -3.947 -6.391 -2.090 31 HB2 PRO 7 HB2 PRO 7 -4.754 -5.084 -4.460 32 HB3 PRO 7 HB3 PRO 7 -5.639 -6.329 -3.577 33 HG2 PRO 7 HG2 PRO 7 -5.940 -3.376 -3.499 34 HG3 PRO 7 HG3 PRO 7 -7.166 -4.640 -3.316 35 HD2 PRO 7 HD2 PRO 7 -6.279 -3.252 -1.220 36 HD3 PRO 7 HD3 PRO 7 -6.644 -4.982 -1.078 37 H CYS 8 H CYS 8 -3.328 -2.983 -3.053 38 HA CYS 8 HA CYS 8 -0.878 -3.999 -4.226 39 HB2 CYS 8 HB2 CYS 8 -0.539 -1.799 -5.206 40 HB3 CYS 8 HB3 CYS 8 -2.145 -2.388 -5.595 41 H ARG 9 H ARG 9 -1.985 -2.184 -1.477 42 HA ARG 9 HA ARG 9 0.236 -0.753 -0.637 43 HB2 ARG 9 HB2 ARG 9 -2.096 -0.916 0.327 44 HB3 ARG 9 HB3 ARG 9 -1.534 -2.329 1.148 45 HG2 ARG 9 HG2 ARG 9 0.145 -1.206 2.343 46 HG3 ARG 9 HG3 ARG 9 -0.138 0.296 1.462 47 HD2 ARG 9 HD2 ARG 9 -1.123 0.372 3.695 48 HD3 ARG 9 HD3 ARG 9 -2.362 0.455 2.448 49 HE ARG 9 HE ARG 9 -1.827 -2.182 3.476 50 HH11 ARG 9 HH11 ARG 9 -3.777 0.743 3.841 51 HH12 ARG 9 HH12 ARG 9 -5.034 -0.027 4.704 52 HH21 ARG 9 HH21 ARG 9 -3.502 -3.236 4.666 53 HH22 ARG 9 HH22 ARG 9 -4.857 -2.357 5.198 54 H ASN 10 H ASN 10 -0.570 -4.034 -0.110 55 HA ASN 10 HA ASN 10 1.529 -4.789 1.628 56 HB2 ASN 10 HB2 ASN 10 -0.042 -6.471 -0.302 57 HB3 ASN 10 HB3 ASN 10 1.271 -7.168 0.637 58 HD21 ASN 10 HD21 ASN 10 1.017 -7.424 2.844 59 HD22 ASN 10 HD22 ASN 10 -0.509 -7.260 3.615 60 H LYS 11 H LYS 11 1.747 -4.146 -1.734 61 HA LYS 11 HA LYS 11 4.326 -5.419 -1.944 62 HB2 LYS 11 HB2 LYS 11 2.578 -3.927 -3.840 63 HB3 LYS 11 HB3 LYS 11 4.135 -4.553 -4.273 64 HG2 LYS 11 HG2 LYS 11 3.239 -6.856 -3.656 65 HG3 LYS 11 HG3 LYS 11 1.652 -6.094 -3.523 66 HD2 LYS 11 HD2 LYS 11 3.399 -6.148 -5.988 67 HD3 LYS 11 HD3 LYS 11 1.959 -7.120 -5.720 68 HE2 LYS 11 HE2 LYS 11 0.563 -5.156 -5.704 69 HE3 LYS 11 HE3 LYS 11 1.973 -4.104 -5.768 70 HZ1 LYS 11 HZ1 LYS 11 0.907 -4.339 -7.908 71 HZ2 LYS 11 HZ2 LYS 11 1.183 -6.007 -7.906 72 HZ3 LYS 11 HZ3 LYS 11 2.483 -4.924 -7.940 73 H HIS 12 H HIS 12 3.082 -2.567 -0.785 74 HA HIS 12 HA HIS 12 5.420 -1.077 -1.701 75 HB2 HIS 12 HB2 HIS 12 2.587 -0.045 -1.643 76 HB3 HIS 12 HB3 HIS 12 3.987 0.965 -1.945 77 HD1 HIS 12 HD1 HIS 12 5.271 0.444 -4.270 78 HD2 HIS 12 HD2 HIS 12 1.651 -1.476 -3.708 79 HE1 HIS 12 HE1 HIS 12 4.603 -0.459 -6.531 80 HA PRO 13 HA PRO 13 5.011 -0.350 2.781 81 HB2 PRO 13 HB2 PRO 13 7.208 -1.590 3.671 82 HB3 PRO 13 HB3 PRO 13 5.747 -2.501 3.276 83 HG2 PRO 13 HG2 PRO 13 8.292 -2.273 1.759 84 HG3 PRO 13 HG3 PRO 13 7.158 -3.628 1.859 85 HD2 PRO 13 HD2 PRO 13 7.333 -1.691 -0.212 86 HD3 PRO 13 HD3 PRO 13 6.072 -2.920 -0.010 87 H ASP 14 H ASP 14 7.145 0.396 0.321 88 HA ASP 14 HA ASP 14 9.123 1.798 1.834 89 HB2 ASP 14 HB2 ASP 14 9.775 0.879 -0.288 90 HB3 ASP 14 HB3 ASP 14 8.531 1.805 -1.116 91 H LEU 15 H LEU 15 6.597 3.031 -0.415 92 HA LEU 15 HA LEU 15 6.995 5.581 0.805 93 HB2 LEU 15 HB2 LEU 15 5.668 6.583 -0.878 94 HB3 LEU 15 HB3 LEU 15 6.621 5.363 -1.679 95 HG LEU 15 HG LEU 15 3.683 5.121 -0.982 96 HD11 LEU 15 HD11 LEU 15 4.065 6.782 -2.687 97 HD12 LEU 15 HD12 LEU 15 3.323 5.344 -3.389 98 HD13 LEU 15 HD13 LEU 15 5.045 5.644 -3.611 99 HD21 LEU 15 HD21 LEU 15 5.421 3.319 -2.676 100 HD22 LEU 15 HD22 LEU 15 3.686 3.149 -2.419 101 HD23 LEU 15 HD23 LEU 15 4.801 2.932 -1.070 102 H CYS 16 H CYS 16 5.070 2.925 1.316 103 HA CYS 16 HA CYS 16 3.227 4.508 2.944 104 HB2 CYS 16 HB2 CYS 16 2.011 3.580 1.015 105 HB3 CYS 16 HB3 CYS 16 2.581 1.967 1.421 106 HN1 NH2 17 HN1 NH2 17 4.396 4.269 4.771 107 HN2 NH2 17 HN2 NH2 17 4.709 2.754 5.541 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -6.618 7.686 -3.633 2 H2 GLY 1 H2 GLY 1 -7.281 6.139 -3.793 3 H3 GLY 1 H3 GLY 1 -5.881 6.531 -4.626 4 HA2 GLY 1 HA2 GLY 1 -4.660 6.747 -2.576 5 HA3 GLY 1 HA3 GLY 1 -6.125 6.345 -1.688 6 H CYS 2 H CYS 2 -3.803 5.131 -4.068 7 HA CYS 2 HA CYS 2 -4.797 2.447 -4.079 8 HB2 CYS 2 HB2 CYS 2 -3.266 3.789 -5.773 9 HB3 CYS 2 HB3 CYS 2 -1.981 3.197 -4.755 10 H CYS 3 H CYS 3 -2.317 4.230 -2.499 11 HA CYS 3 HA CYS 3 -1.025 2.101 -1.126 12 HB2 CYS 3 HB2 CYS 3 0.061 4.279 -1.626 13 HB3 CYS 3 HB3 CYS 3 -1.029 5.070 -0.509 14 H SER 4 H SER 4 -4.003 3.570 -0.597 15 HA SER 4 HA SER 4 -4.033 3.060 2.255 16 HB2 SER 4 HB2 SER 4 -5.194 5.057 1.303 17 HB3 SER 4 HB3 SER 4 -6.234 3.986 0.373 18 HG SER 4 HG SER 4 -6.047 4.182 3.189 19 H ASP 5 H ASP 5 -4.581 1.435 -0.672 20 HA ASP 5 HA ASP 5 -6.586 -0.389 0.421 21 HB2 ASP 5 HB2 ASP 5 -6.982 0.606 -1.809 22 HB3 ASP 5 HB3 ASP 5 -5.486 -0.117 -2.379 23 HA PRO 6 HA PRO 6 -3.418 -3.124 1.892 24 HB2 PRO 6 HB2 PRO 6 -5.450 -5.192 1.183 25 HB3 PRO 6 HB3 PRO 6 -4.514 -4.996 2.668 26 HG2 PRO 6 HG2 PRO 6 -7.082 -4.211 2.474 27 HG3 PRO 6 HG3 PRO 6 -5.904 -3.373 3.493 28 HD2 PRO 6 HD2 PRO 6 -7.164 -2.498 0.968 29 HD3 PRO 6 HD3 PRO 6 -6.398 -1.536 2.245 30 HA PRO 7 HA PRO 7 -2.540 -6.068 -1.763 31 HB2 PRO 7 HB2 PRO 7 -3.795 -5.568 -4.166 32 HB3 PRO 7 HB3 PRO 7 -4.287 -6.823 -3.027 33 HG2 PRO 7 HG2 PRO 7 -5.428 -4.111 -3.472 34 HG3 PRO 7 HG3 PRO 7 -6.254 -5.629 -3.085 35 HD2 PRO 7 HD2 PRO 7 -5.808 -3.685 -1.250 36 HD3 PRO 7 HD3 PRO 7 -5.865 -5.409 -0.837 37 H CYS 8 H CYS 8 -3.298 -2.720 -2.278 38 HA CYS 8 HA CYS 8 -0.917 -2.418 -3.955 39 HB2 CYS 8 HB2 CYS 8 -3.111 -1.504 -4.814 40 HB3 CYS 8 HB3 CYS 8 -3.139 -0.416 -3.435 41 H ARG 9 H ARG 9 -1.395 -2.702 -0.912 42 HA ARG 9 HA ARG 9 0.214 -0.357 -0.098 43 HB2 ARG 9 HB2 ARG 9 -2.134 -0.872 0.863 44 HB3 ARG 9 HB3 ARG 9 -1.357 -2.213 1.651 45 HG2 ARG 9 HG2 ARG 9 0.074 -0.785 2.899 46 HG3 ARG 9 HG3 ARG 9 -0.513 0.618 1.992 47 HD2 ARG 9 HD2 ARG 9 -2.806 0.183 2.836 48 HD3 ARG 9 HD3 ARG 9 -2.170 -1.134 3.813 49 HE ARG 9 HE ARG 9 -0.743 0.762 4.813 50 HH11 ARG 9 HH11 ARG 9 -4.163 1.070 3.814 51 HH12 ARG 9 HH12 ARG 9 -4.507 2.302 4.937 52 HH21 ARG 9 HH21 ARG 9 -1.292 2.410 6.392 53 HH22 ARG 9 HH22 ARG 9 -2.870 3.050 6.458 54 H ASN 10 H ASN 10 -0.390 -3.745 0.388 55 HA ASN 10 HA ASN 10 1.842 -4.509 1.881 56 HB2 ASN 10 HB2 ASN 10 -0.013 -6.007 1.684 57 HB3 ASN 10 HB3 ASN 10 0.139 -6.063 -0.065 58 HD21 ASN 10 HD21 ASN 10 1.471 -7.138 2.947 59 HD22 ASN 10 HD22 ASN 10 2.433 -8.413 2.302 60 H LYS 11 H LYS 11 1.562 -4.035 -1.521 61 HA LYS 11 HA LYS 11 4.099 -5.266 -2.140 62 HB2 LYS 11 HB2 LYS 11 2.006 -3.848 -3.746 63 HB3 LYS 11 HB3 LYS 11 3.444 -4.520 -4.438 64 HG2 LYS 11 HG2 LYS 11 2.783 -6.764 -3.631 65 HG3 LYS 11 HG3 LYS 11 1.327 -6.060 -2.934 66 HD2 LYS 11 HD2 LYS 11 0.604 -5.378 -5.178 67 HD3 LYS 11 HD3 LYS 11 2.054 -6.124 -5.861 68 HE2 LYS 11 HE2 LYS 11 1.358 -8.282 -4.946 69 HE3 LYS 11 HE3 LYS 11 -0.091 -7.533 -4.288 70 HZ1 LYS 11 HZ1 LYS 11 -0.505 -8.678 -6.370 71 HZ2 LYS 11 HZ2 LYS 11 0.581 -7.683 -7.175 72 HZ3 LYS 11 HZ3 LYS 11 -0.826 -7.038 -6.517 73 H HIS 12 H HIS 12 3.392 -2.485 -0.690 74 HA HIS 12 HA HIS 12 5.428 -0.952 -2.124 75 HB2 HIS 12 HB2 HIS 12 2.659 -0.036 -1.375 76 HB3 HIS 12 HB3 HIS 12 3.892 1.067 -1.930 77 HD1 HIS 12 HD1 HIS 12 4.619 0.701 -4.558 78 HD2 HIS 12 HD2 HIS 12 1.313 -1.381 -3.183 79 HE1 HIS 12 HE1 HIS 12 3.507 -0.251 -6.604 80 HA PRO 13 HA PRO 13 5.261 -0.936 2.720 81 HB2 PRO 13 HB2 PRO 13 7.671 -2.052 3.273 82 HB3 PRO 13 HB3 PRO 13 6.196 -3.001 3.053 83 HG2 PRO 13 HG2 PRO 13 8.388 -2.433 1.092 84 HG3 PRO 13 HG3 PRO 13 7.577 -3.971 1.445 85 HD2 PRO 13 HD2 PRO 13 6.922 -2.483 -0.689 86 HD3 PRO 13 HD3 PRO 13 5.706 -3.411 0.210 87 H ASP 14 H ASP 14 7.544 0.158 0.374 88 HA ASP 14 HA ASP 14 9.123 1.715 2.208 89 HB2 ASP 14 HB2 ASP 14 10.078 1.027 0.038 90 HB3 ASP 14 HB3 ASP 14 8.874 2.011 -0.791 91 H LEU 15 H LEU 15 6.453 2.378 0.040 92 HA LEU 15 HA LEU 15 6.425 5.056 1.027 93 HB2 LEU 15 HB2 LEU 15 4.572 5.521 -0.614 94 HB3 LEU 15 HB3 LEU 15 6.120 5.124 -1.305 95 HG LEU 15 HG LEU 15 3.979 3.016 -1.070 96 HD11 LEU 15 HD11 LEU 15 3.257 3.637 -3.334 97 HD12 LEU 15 HD12 LEU 15 4.333 5.033 -3.299 98 HD13 LEU 15 HD13 LEU 15 2.961 4.948 -2.195 99 HD21 LEU 15 HD21 LEU 15 6.299 3.487 -2.951 100 HD22 LEU 15 HD22 LEU 15 5.136 2.191 -3.113 101 HD23 LEU 15 HD23 LEU 15 6.208 2.227 -1.718 102 H CYS 16 H CYS 16 4.405 2.166 1.080 103 HA CYS 16 HA CYS 16 2.460 3.478 2.700 104 HB2 CYS 16 HB2 CYS 16 2.765 0.653 1.700 105 HB3 CYS 16 HB3 CYS 16 1.365 1.323 2.521 106 HN1 NH2 17 HN1 NH2 17 3.626 3.896 4.559 107 HN2 NH2 17 HN2 NH2 17 4.250 2.661 5.600 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -6.849 6.143 -2.181 2 H2 GLY 1 H2 GLY 1 -5.887 7.505 -1.838 3 H3 GLY 1 H3 GLY 1 -5.486 5.963 -1.234 4 HA2 GLY 1 HA2 GLY 1 -5.539 6.569 -4.092 5 HA3 GLY 1 HA3 GLY 1 -4.082 6.590 -3.104 6 H CYS 2 H CYS 2 -3.241 4.819 -4.350 7 HA CYS 2 HA CYS 2 -4.697 2.305 -4.335 8 HB2 CYS 2 HB2 CYS 2 -3.007 3.213 -6.116 9 HB3 CYS 2 HB3 CYS 2 -1.802 2.654 -5.004 10 H CYS 3 H CYS 3 -1.981 3.797 -2.847 11 HA CYS 3 HA CYS 3 -1.088 1.471 -1.439 12 HB2 CYS 3 HB2 CYS 3 0.327 3.521 -2.139 13 HB3 CYS 3 HB3 CYS 3 -0.278 4.258 -0.662 14 H SER 4 H SER 4 -3.696 3.525 -0.783 15 HA SER 4 HA SER 4 -3.569 3.027 2.032 16 HB2 SER 4 HB2 SER 4 -5.903 4.117 1.846 17 HB3 SER 4 HB3 SER 4 -4.493 5.132 1.520 18 HG SER 4 HG SER 4 -6.499 4.247 -0.147 19 H ASP 5 H ASP 5 -4.512 1.428 -0.774 20 HA ASP 5 HA ASP 5 -6.572 -0.162 0.544 21 HB2 ASP 5 HB2 ASP 5 -7.018 0.627 -1.762 22 HB3 ASP 5 HB3 ASP 5 -5.572 -0.200 -2.323 23 HA PRO 6 HA PRO 6 -3.442 -2.839 2.101 24 HB2 PRO 6 HB2 PRO 6 -5.116 -5.161 2.070 25 HB3 PRO 6 HB3 PRO 6 -4.695 -4.131 3.434 26 HG2 PRO 6 HG2 PRO 6 -7.129 -4.119 1.771 27 HG3 PRO 6 HG3 PRO 6 -6.891 -3.508 3.409 28 HD2 PRO 6 HD2 PRO 6 -7.213 -1.926 1.231 29 HD3 PRO 6 HD3 PRO 6 -6.286 -1.421 2.656 30 HA PRO 7 HA PRO 7 -2.965 -6.405 -1.155 31 HB2 PRO 7 HB2 PRO 7 -4.754 -5.434 -3.331 32 HB3 PRO 7 HB3 PRO 7 -4.398 -7.091 -2.825 33 HG2 PRO 7 HG2 PRO 7 -6.714 -6.022 -2.184 34 HG3 PRO 7 HG3 PRO 7 -5.819 -6.964 -0.977 35 HD2 PRO 7 HD2 PRO 7 -6.032 -3.984 -1.256 36 HD3 PRO 7 HD3 PRO 7 -6.146 -4.992 0.204 37 H CYS 8 H CYS 8 -3.541 -3.094 -2.105 38 HA CYS 8 HA CYS 8 -1.394 -3.200 -4.052 39 HB2 CYS 8 HB2 CYS 8 -3.374 -1.812 -4.559 40 HB3 CYS 8 HB3 CYS 8 -3.067 -0.843 -3.124 41 H ARG 9 H ARG 9 -2.065 -1.867 -0.885 42 HA ARG 9 HA ARG 9 0.241 -0.353 -0.372 43 HB2 ARG 9 HB2 ARG 9 -1.919 -0.641 0.942 44 HB3 ARG 9 HB3 ARG 9 -1.207 -2.082 1.571 45 HG2 ARG 9 HG2 ARG 9 0.612 -0.927 2.589 46 HG3 ARG 9 HG3 ARG 9 0.092 0.597 1.868 47 HD2 ARG 9 HD2 ARG 9 -0.608 0.463 4.220 48 HD3 ARG 9 HD3 ARG 9 -1.995 0.505 3.131 49 HE ARG 9 HE ARG 9 -0.971 -2.037 4.120 50 HH11 ARG 9 HH11 ARG 9 -3.672 0.294 3.970 51 HH12 ARG 9 HH12 ARG 9 -4.790 -0.738 4.704 52 HH21 ARG 9 HH21 ARG 9 -2.545 -3.448 5.133 53 HH22 ARG 9 HH22 ARG 9 -4.138 -2.924 5.383 54 H ASN 10 H ASN 10 -0.461 -3.682 0.121 55 HA ASN 10 HA ASN 10 1.921 -4.568 1.304 56 HB2 ASN 10 HB2 ASN 10 0.039 -6.048 -0.502 57 HB3 ASN 10 HB3 ASN 10 1.529 -6.809 0.034 58 HD21 ASN 10 HD21 ASN 10 1.761 -7.327 2.186 59 HD22 ASN 10 HD22 ASN 10 0.425 -7.391 3.276 60 H LYS 11 H LYS 11 1.521 -3.612 -1.981 61 HA LYS 11 HA LYS 11 4.031 -4.784 -2.788 62 HB2 LYS 11 HB2 LYS 11 1.981 -3.112 -4.213 63 HB3 LYS 11 HB3 LYS 11 3.400 -3.763 -4.950 64 HG2 LYS 11 HG2 LYS 11 2.632 -6.062 -4.424 65 HG3 LYS 11 HG3 LYS 11 1.176 -5.379 -3.704 66 HD2 LYS 11 HD2 LYS 11 0.568 -4.416 -5.868 67 HD3 LYS 11 HD3 LYS 11 2.023 -5.108 -6.584 68 HE2 LYS 11 HE2 LYS 11 0.116 -6.519 -7.082 69 HE3 LYS 11 HE3 LYS 11 1.222 -7.358 -5.998 70 HZ1 LYS 11 HZ1 LYS 11 -1.067 -7.657 -5.303 71 HZ2 LYS 11 HZ2 LYS 11 -1.287 -5.992 -5.206 72 HZ3 LYS 11 HZ3 LYS 11 -0.248 -6.758 -4.139 73 H HIS 12 H HIS 12 3.059 -2.114 -1.111 74 HA HIS 12 HA HIS 12 5.282 -0.497 -2.123 75 HB2 HIS 12 HB2 HIS 12 2.482 0.481 -1.572 76 HB3 HIS 12 HB3 HIS 12 3.827 1.538 -1.932 77 HD1 HIS 12 HD1 HIS 12 4.751 1.354 -4.509 78 HD2 HIS 12 HD2 HIS 12 1.247 -0.677 -3.617 79 HE1 HIS 12 HE1 HIS 12 3.763 0.644 -6.720 80 HA PRO 13 HA PRO 13 4.900 -0.581 2.635 81 HB2 PRO 13 HB2 PRO 13 6.949 -2.191 3.333 82 HB3 PRO 13 HB3 PRO 13 5.354 -2.847 2.947 83 HG2 PRO 13 HG2 PRO 13 7.814 -2.729 1.260 84 HG3 PRO 13 HG3 PRO 13 6.629 -4.035 1.425 85 HD2 PRO 13 HD2 PRO 13 6.683 -2.246 -0.658 86 HD3 PRO 13 HD3 PRO 13 5.232 -3.114 -0.128 87 H ASP 14 H ASP 14 6.828 0.254 0.276 88 HA ASP 14 HA ASP 14 9.191 1.286 1.427 89 HB2 ASP 14 HB2 ASP 14 8.960 0.880 -0.975 90 HB3 ASP 14 HB3 ASP 14 7.705 2.106 -1.075 91 H LEU 15 H LEU 15 6.340 3.039 0.202 92 HA LEU 15 HA LEU 15 7.030 5.187 1.943 93 HB2 LEU 15 HB2 LEU 15 5.421 6.580 0.818 94 HB3 LEU 15 HB3 LEU 15 6.372 5.742 -0.377 95 HG LEU 15 HG LEU 15 3.530 5.021 0.393 96 HD11 LEU 15 HD11 LEU 15 4.577 6.510 -2.003 97 HD12 LEU 15 HD12 LEU 15 3.615 7.186 -0.685 98 HD13 LEU 15 HD13 LEU 15 2.913 5.980 -1.763 99 HD21 LEU 15 HD21 LEU 15 4.654 3.085 -0.492 100 HD22 LEU 15 HD22 LEU 15 5.328 4.037 -1.810 101 HD23 LEU 15 HD23 LEU 15 3.591 3.734 -1.743 102 H CYS 16 H CYS 16 4.502 2.723 1.626 103 HA CYS 16 HA CYS 16 3.154 3.804 3.899 104 HB2 CYS 16 HB2 CYS 16 2.592 1.521 2.033 105 HB3 CYS 16 HB3 CYS 16 1.571 2.002 3.376 106 HN1 NH2 17 HN1 NH2 17 4.670 3.360 5.487 107 HN2 NH2 17 HN2 NH2 17 5.066 1.758 6.003
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