NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
572472 | 2mdq | 19501 | 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 -5.519 6.076 -5.269 2 H2 GLY 1 H2 GLY 1 -6.199 5.123 -4.060 3 H3 GLY 1 H3 GLY 1 -5.360 4.387 -5.339 4 HA2 GLY 1 HA2 GLY 1 -3.332 5.487 -4.581 5 HA3 GLY 1 HA3 GLY 1 -4.255 6.109 -3.216 6 H CYS 2 H CYS 2 -2.133 3.789 -4.081 7 HA CYS 2 HA CYS 2 -3.268 1.487 -3.174 8 HB2 CYS 2 HB3 CYS 2 -0.650 2.423 -3.785 9 HB3 CYS 2 HB2 CYS 2 -0.756 0.880 -2.936 10 H CYS 3 H CYS 3 -1.906 3.986 -1.347 11 HA CYS 3 HA CYS 3 -1.358 2.362 0.870 12 HB2 CYS 3 HB3 CYS 3 -1.623 5.286 0.485 13 HB3 CYS 3 HB2 CYS 3 -1.587 4.611 2.099 14 H SER 4 H SER 4 -4.115 4.042 -0.148 15 HA SER 4 HA SER 4 -5.682 3.459 2.214 16 HB2 SER 4 HB3 SER 4 -6.634 4.314 -0.526 17 HB3 SER 4 HB2 SER 4 -7.561 4.403 0.971 18 HG SER 4 HG SER 4 -6.207 5.977 1.729 19 H HIS 5 H HIS 5 -4.573 1.611 -0.247 20 HA HIS 5 HA HIS 5 -6.781 -0.329 -0.266 21 HB2 HIS 5 HB3 HIS 5 -4.369 0.138 -1.980 22 HB3 HIS 5 HB2 HIS 5 -5.185 -1.412 -2.012 23 HD1 HIS 5 HD1 HIS 5 -6.519 -1.534 -4.080 24 HD2 HIS 5 HD2 HIS 5 -6.558 2.285 -2.462 25 HE1 HIS 5 HE1 HIS 5 -7.952 -0.153 -5.626 26 HA PRO 6 HA PRO 6 -4.106 -2.135 3.025 27 HB2 PRO 6 HB2 PRO 6 -6.161 -4.263 2.570 28 HB3 PRO 6 HB3 PRO 6 -5.506 -3.650 4.094 29 HG2 PRO 6 HG3 PRO 6 -7.894 -2.861 3.313 30 HG3 PRO 6 HG2 PRO 6 -6.754 -1.683 3.988 31 HD2 PRO 6 HD3 PRO 6 -7.548 -2.127 1.140 32 HD3 PRO 6 HD2 PRO 6 -7.195 -0.609 1.990 33 H ALA 7 H ALA 7 -5.294 -3.860 0.157 34 HA ALA 7 HA ALA 7 -3.322 -5.915 0.309 35 HB1 ALA 7 HB1 ALA 7 -5.496 -6.262 -0.783 36 HB2 ALA 7 HB2 ALA 7 -4.141 -6.645 -1.845 37 HB3 ALA 7 HB3 ALA 7 -5.020 -5.132 -2.051 38 H CYS 8 H CYS 8 -3.561 -2.903 -1.542 39 HA CYS 8 HA CYS 8 -1.174 -3.519 -3.091 40 HB2 CYS 8 HB3 CYS 8 -3.212 -2.128 -3.900 41 HB3 CYS 8 HB2 CYS 8 -2.534 -0.839 -2.908 42 H ASN 9 H ASN 9 -1.987 -1.970 -0.187 43 HA ASN 9 HA ASN 9 0.027 -0.121 0.277 44 HB2 ASN 9 HB3 ASN 9 -2.043 -0.720 1.658 45 HB3 ASN 9 HB2 ASN 9 -1.083 -2.061 2.237 46 HD21 ASN 9 HD22 ASN 9 -1.644 1.284 2.453 47 HD22 ASN 9 HD21 ASN 9 -0.581 1.621 3.778 48 H VAL 10 H VAL 10 -0.147 -3.519 0.753 49 HA VAL 10 HA VAL 10 2.254 -3.977 2.135 50 HB VAL 10 HB VAL 10 0.780 -5.897 0.358 51 HG11 VAL 10 HG11 VAL 10 1.793 -7.666 1.755 52 HG12 VAL 10 HG12 VAL 10 2.712 -6.436 2.620 53 HG13 VAL 10 HG13 VAL 10 3.013 -6.716 0.905 54 HG21 VAL 10 HG21 VAL 10 -0.699 -4.987 2.040 55 HG22 VAL 10 HG22 VAL 10 0.469 -5.371 3.304 56 HG23 VAL 10 HG23 VAL 10 -0.325 -6.670 2.414 57 H ASP 11 H ASP 11 1.621 -3.720 -1.342 58 HA ASP 11 HA ASP 11 4.320 -4.679 -1.747 59 HB2 ASP 11 HB3 ASP 11 3.867 -4.992 -4.092 60 HB3 ASP 11 HB2 ASP 11 2.599 -5.753 -3.149 61 H HIS 12 H HIS 12 3.077 -1.795 -1.130 62 HA HIS 12 HA HIS 12 5.180 -0.491 -2.669 63 HB2 HIS 12 HB3 HIS 12 2.573 0.453 -1.640 64 HB3 HIS 12 HB2 HIS 12 3.849 1.579 -2.027 65 HD1 HIS 12 HD1 HIS 12 4.306 1.920 -4.672 66 HD2 HIS 12 HD2 HIS 12 1.188 -0.658 -3.700 67 HE1 HIS 12 HE1 HIS 12 2.988 1.641 -6.760 68 HA PRO 13 HA PRO 13 6.115 -0.322 1.940 69 HB2 PRO 13 HB2 PRO 13 8.723 -1.082 1.846 70 HB3 PRO 13 HB3 PRO 13 7.403 -2.250 1.931 71 HG2 PRO 13 HG3 PRO 13 9.007 -1.366 -0.426 72 HG3 PRO 13 HG2 PRO 13 8.427 -2.986 -0.013 73 HD2 PRO 13 HD3 PRO 13 7.217 -1.375 -1.869 74 HD3 PRO 13 HD2 PRO 13 6.356 -2.612 -0.936 75 H GLU 14 H GLU 14 7.411 0.971 -0.860 76 HA GLU 14 HA GLU 14 9.169 2.894 0.277 77 HB2 GLU 14 HB3 GLU 14 9.200 3.711 -2.036 78 HB3 GLU 14 HB2 GLU 14 9.618 2.006 -1.898 79 HG2 GLU 14 HG3 GLU 14 7.326 1.425 -2.609 80 HG3 GLU 14 HG2 GLU 14 6.974 3.148 -2.726 81 H ILE 15 H ILE 15 5.782 2.670 -0.414 82 HA ILE 15 HA ILE 15 5.491 5.604 -0.229 83 HB ILE 15 HB ILE 15 3.375 3.642 -1.173 84 HG12 ILE 15 HG13 ILE 15 5.126 3.554 -2.827 85 HG13 ILE 15 HG12 ILE 15 3.803 4.503 -3.458 86 HG21 ILE 15 HG21 ILE 15 3.519 6.648 -1.377 87 HG22 ILE 15 HG22 ILE 15 2.465 5.716 -0.313 88 HG23 ILE 15 HG23 ILE 15 2.247 5.636 -2.061 89 HD11 ILE 15 HD11 ILE 15 4.984 6.562 -2.976 90 HD12 ILE 15 HD12 ILE 15 5.945 5.507 -4.015 91 HD13 ILE 15 HD13 ILE 15 6.333 5.643 -2.299 92 H CYS 16 H CYS 16 4.093 2.570 0.725 93 HA CYS 16 HA CYS 16 2.674 3.834 2.910 94 HB2 CYS 16 2HB CYS 16 2.585 1.068 1.879 95 HB3 CYS 16 1HB CYS 16 1.410 1.798 2.965 96 HN1 NH2 17 1H NH2 17 4.229 4.076 4.459 97 HN2 NH2 17 2H NH2 17 5.180 2.783 5.108 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 -5.338 6.349 -2.756 2 H2 GLY 1 H2 GLY 1 -5.648 5.680 -4.274 3 H3 GLY 1 H3 GLY 1 -4.979 7.249 -4.140 4 HA2 GLY 1 HA2 GLY 1 -3.304 5.631 -4.750 5 HA3 GLY 1 HA3 GLY 1 -3.003 6.335 -3.166 6 H CYS 2 H CYS 2 -1.901 3.888 -3.859 7 HA CYS 2 HA CYS 2 -3.464 1.707 -3.198 8 HB2 CYS 2 HB3 CYS 2 -0.711 2.314 -3.561 9 HB3 CYS 2 HB2 CYS 2 -1.066 0.787 -2.761 10 H CYS 3 H CYS 3 -2.053 3.998 -1.234 11 HA CYS 3 HA CYS 3 -1.572 2.398 0.997 12 HB2 CYS 3 HB3 CYS 3 -2.187 5.308 0.736 13 HB3 CYS 3 HB2 CYS 3 -1.752 4.538 2.235 14 H SER 4 H SER 4 -4.269 4.065 -0.128 15 HA SER 4 HA SER 4 -6.010 3.418 2.082 16 HB2 SER 4 HB3 SER 4 -6.724 4.373 -0.702 17 HB3 SER 4 HB2 SER 4 -7.756 4.446 0.731 18 HG SER 4 HG SER 4 -6.250 5.831 1.681 19 H HIS 5 H HIS 5 -4.587 1.408 0.140 20 HA HIS 5 HA HIS 5 -6.824 -0.463 -0.143 21 HB2 HIS 5 HB3 HIS 5 -4.602 0.215 -1.996 22 HB3 HIS 5 HB2 HIS 5 -5.447 -1.324 -2.157 23 HD1 HIS 5 HD1 HIS 5 -7.965 -1.165 -3.076 24 HD2 HIS 5 HD2 HIS 5 -5.918 2.457 -2.951 25 HE1 HIS 5 HE1 HIS 5 -9.308 0.435 -4.449 26 HA PRO 6 HA PRO 6 -3.882 -2.185 2.982 27 HB2 PRO 6 HB2 PRO 6 -5.856 -4.381 2.475 28 HB3 PRO 6 HB3 PRO 6 -5.134 -3.859 4.003 29 HG2 PRO 6 HG3 PRO 6 -7.580 -3.067 3.389 30 HG3 PRO 6 HG2 PRO 6 -6.433 -1.929 4.115 31 HD2 PRO 6 HD3 PRO 6 -7.408 -2.088 1.304 32 HD3 PRO 6 HD2 PRO 6 -6.904 -0.673 2.246 33 H ALA 7 H ALA 7 -5.054 -4.161 0.261 34 HA ALA 7 HA ALA 7 -2.911 -6.001 0.337 35 HB1 ALA 7 HB1 ALA 7 -4.675 -5.317 -2.002 36 HB2 ALA 7 HB2 ALA 7 -5.033 -6.515 -0.754 37 HB3 ALA 7 HB3 ALA 7 -3.663 -6.748 -1.840 38 H CYS 8 H CYS 8 -3.333 -2.998 -1.457 39 HA CYS 8 HA CYS 8 -0.989 -3.456 -3.131 40 HB2 CYS 8 HB3 CYS 8 -3.174 -2.182 -3.759 41 HB3 CYS 8 HB2 CYS 8 -2.481 -0.890 -2.783 42 H ASN 9 H ASN 9 -1.832 -2.030 -0.215 43 HA ASN 9 HA ASN 9 0.116 -0.040 0.112 44 HB2 ASN 9 HB3 ASN 9 -2.037 -0.409 1.338 45 HB3 ASN 9 HB2 ASN 9 -1.259 -1.765 2.091 46 HD21 ASN 9 HD22 ASN 9 -2.350 0.918 2.898 47 HD22 ASN 9 HD21 ASN 9 -1.207 1.529 4.033 48 H VAL 10 H VAL 10 -0.135 -3.355 0.933 49 HA VAL 10 HA VAL 10 2.260 -3.690 2.348 50 HB VAL 10 HB VAL 10 0.717 -5.732 0.782 51 HG11 VAL 10 HG11 VAL 10 1.831 -7.407 2.231 52 HG12 VAL 10 HG12 VAL 10 2.829 -6.120 2.910 53 HG13 VAL 10 HG13 VAL 10 2.969 -6.540 1.201 54 HG21 VAL 10 HG21 VAL 10 -0.618 -4.695 2.520 55 HG22 VAL 10 HG22 VAL 10 0.638 -5.030 3.712 56 HG23 VAL 10 HG23 VAL 10 -0.242 -6.360 2.959 57 H ASP 11 H ASP 11 1.604 -4.009 -1.154 58 HA ASP 11 HA ASP 11 4.345 -4.842 -1.457 59 HB2 ASP 11 HB3 ASP 11 3.912 -5.377 -3.794 60 HB3 ASP 11 HB2 ASP 11 2.705 -6.114 -2.763 61 H HIS 12 H HIS 12 3.089 -1.933 -1.114 62 HA HIS 12 HA HIS 12 5.262 -0.800 -2.658 63 HB2 HIS 12 HB3 HIS 12 2.662 0.324 -1.801 64 HB3 HIS 12 HB2 HIS 12 4.020 1.325 -2.266 65 HD1 HIS 12 HD1 HIS 12 4.818 0.920 -4.903 66 HD2 HIS 12 HD2 HIS 12 1.072 -0.482 -3.782 67 HE1 HIS 12 HE1 HIS 12 3.553 0.603 -7.025 68 HA PRO 13 HA PRO 13 6.113 -0.601 1.914 69 HB2 PRO 13 HB2 PRO 13 8.912 -0.971 1.141 70 HB3 PRO 13 HB3 PRO 13 7.933 -1.923 2.260 71 HG2 PRO 13 HG3 PRO 13 8.678 -2.887 -0.139 72 HG3 PRO 13 HG2 PRO 13 7.113 -3.291 0.590 73 HD2 PRO 13 HD3 PRO 13 7.744 -1.300 -1.557 74 HD3 PRO 13 HD2 PRO 13 6.395 -2.450 -1.451 75 H GLU 14 H GLU 14 7.526 1.080 -0.725 76 HA GLU 14 HA GLU 14 8.740 3.007 1.024 77 HB2 GLU 14 HB3 GLU 14 9.623 3.951 -0.969 78 HB3 GLU 14 HB2 GLU 14 10.064 2.255 -0.850 79 HG2 GLU 14 HG3 GLU 14 7.839 3.343 -2.580 80 HG3 GLU 14 HG2 GLU 14 9.482 3.118 -3.156 81 H ILE 15 H ILE 15 5.869 2.528 -0.705 82 HA ILE 15 HA ILE 15 5.369 5.418 -0.829 83 HB ILE 15 HB ILE 15 3.648 3.194 -1.975 84 HG12 ILE 15 HG13 ILE 15 5.802 4.869 -3.306 85 HG13 ILE 15 HG12 ILE 15 5.780 3.126 -3.078 86 HG21 ILE 15 HG21 ILE 15 2.446 5.249 -1.557 87 HG22 ILE 15 HG22 ILE 15 2.633 4.984 -3.294 88 HG23 ILE 15 HG23 ILE 15 3.658 6.154 -2.461 89 HD11 ILE 15 HD11 ILE 15 3.921 2.917 -4.622 90 HD12 ILE 15 HD12 ILE 15 5.286 3.736 -5.382 91 HD13 ILE 15 HD13 ILE 15 3.890 4.668 -4.840 92 H CYS 16 H CYS 16 4.176 2.431 0.444 93 HA CYS 16 HA CYS 16 2.462 3.906 2.253 94 HB2 CYS 16 2HB CYS 16 2.048 1.295 0.951 95 HB3 CYS 16 1HB CYS 16 0.932 2.021 2.100 96 HN1 NH2 17 1H NH2 17 3.427 0.492 1.936 97 HN2 NH2 17 2H NH2 17 4.128 0.386 3.508 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -4.454 7.129 -4.798 2 H2 GLY 1 H2 GLY 1 -4.310 6.569 -3.210 3 H3 GLY 1 H3 GLY 1 -5.489 5.935 -4.196 4 HA2 GLY 1 HA2 GLY 1 -3.770 4.984 -5.639 5 HA3 GLY 1 HA3 GLY 1 -2.579 5.607 -4.503 6 H CYS 2 H CYS 2 -2.205 3.090 -4.672 7 HA CYS 2 HA CYS 2 -3.943 1.305 -3.563 8 HB2 CYS 2 HB3 CYS 2 -1.187 1.437 -4.216 9 HB3 CYS 2 HB2 CYS 2 -1.655 0.089 -3.187 10 H CYS 3 H CYS 3 -1.957 3.479 -1.912 11 HA CYS 3 HA CYS 3 -1.647 1.908 0.356 12 HB2 CYS 3 HB3 CYS 3 -1.270 4.740 -0.238 13 HB3 CYS 3 HB2 CYS 3 -1.456 4.276 1.448 14 H SER 4 H SER 4 -4.229 3.820 -0.589 15 HA SER 4 HA SER 4 -5.584 3.518 1.946 16 HB2 SER 4 HB3 SER 4 -6.679 4.385 -0.730 17 HB3 SER 4 HB2 SER 4 -7.554 4.479 0.803 18 HG SER 4 HG SER 4 -6.108 5.905 1.561 19 H HIS 5 H HIS 5 -4.758 1.306 -0.203 20 HA HIS 5 HA HIS 5 -7.159 -0.333 0.129 21 HB2 HIS 5 HB3 HIS 5 -5.037 -0.304 -2.009 22 HB3 HIS 5 HB2 HIS 5 -6.249 -1.575 -1.888 23 HD1 HIS 5 HD1 HIS 5 -8.605 -1.000 -2.767 24 HD2 HIS 5 HD2 HIS 5 -5.946 2.180 -2.928 25 HE1 HIS 5 HE1 HIS 5 -9.712 0.736 -4.198 26 HA PRO 6 HA PRO 6 -4.247 -2.081 3.193 27 HB2 PRO 6 HB2 PRO 6 -6.344 -4.202 2.939 28 HB3 PRO 6 HB3 PRO 6 -5.571 -3.558 4.394 29 HG2 PRO 6 HG3 PRO 6 -7.999 -2.740 3.738 30 HG3 PRO 6 HG2 PRO 6 -6.797 -1.579 4.331 31 HD2 PRO 6 HD3 PRO 6 -7.817 -2.009 1.568 32 HD3 PRO 6 HD2 PRO 6 -7.289 -0.512 2.361 33 H ALA 7 H ALA 7 -5.640 -4.072 0.603 34 HA ALA 7 HA ALA 7 -3.603 -6.045 0.792 35 HB1 ALA 7 HB1 ALA 7 -4.626 -7.070 -1.135 36 HB2 ALA 7 HB2 ALA 7 -5.556 -5.607 -1.448 37 HB3 ALA 7 HB3 ALA 7 -5.871 -6.556 0.005 38 H CYS 8 H CYS 8 -3.883 -3.100 -1.010 39 HA CYS 8 HA CYS 8 -1.642 -3.891 -2.767 40 HB2 CYS 8 HB3 CYS 8 -3.905 -2.863 -3.601 41 HB3 CYS 8 HB2 CYS 8 -3.245 -1.370 -2.942 42 H ASN 9 H ASN 9 -2.055 -2.705 0.113 43 HA ASN 9 HA ASN 9 -0.609 -0.229 0.168 44 HB2 ASN 9 HB3 ASN 9 -2.381 -0.981 1.766 45 HB3 ASN 9 HB2 ASN 9 -1.213 -2.145 2.345 46 HD21 ASN 9 HD22 ASN 9 -2.023 1.180 2.220 47 HD22 ASN 9 HD21 ASN 9 -0.932 1.704 3.451 48 H VAL 10 H VAL 10 -0.056 -3.506 1.025 49 HA VAL 10 HA VAL 10 2.480 -3.231 2.185 50 HB VAL 10 HB VAL 10 0.994 -5.143 2.595 51 HG11 VAL 10 HG11 VAL 10 0.874 -7.026 1.032 52 HG12 VAL 10 HG12 VAL 10 1.729 -6.057 -0.170 53 HG13 VAL 10 HG13 VAL 10 0.136 -5.556 0.394 54 HG21 VAL 10 HG21 VAL 10 2.712 -6.918 2.623 55 HG22 VAL 10 HG22 VAL 10 3.331 -5.368 3.195 56 HG23 VAL 10 HG23 VAL 10 3.717 -5.924 1.569 57 H ASP 11 H ASP 11 1.617 -3.434 -1.191 58 HA ASP 11 HA ASP 11 4.351 -4.116 -1.830 59 HB2 ASP 11 HB3 ASP 11 3.657 -4.331 -4.190 60 HB3 ASP 11 HB2 ASP 11 2.752 -5.371 -3.110 61 H HIS 12 H HIS 12 3.225 -1.333 -0.911 62 HA HIS 12 HA HIS 12 4.877 0.131 -2.809 63 HB2 HIS 12 HB3 HIS 12 2.741 0.925 -0.910 64 HB3 HIS 12 HB2 HIS 12 3.933 2.091 -1.438 65 HD1 HIS 12 HD1 HIS 12 3.529 3.157 -3.734 66 HD2 HIS 12 HD2 HIS 12 1.012 -0.048 -2.938 67 HE1 HIS 12 HE1 HIS 12 1.809 3.170 -5.554 68 HA PRO 13 HA PRO 13 7.368 -0.701 0.968 69 HB2 PRO 13 HB2 PRO 13 9.714 -0.485 -0.740 70 HB3 PRO 13 HB3 PRO 13 9.150 -1.869 0.195 71 HG2 PRO 13 HG3 PRO 13 9.065 -1.795 -2.517 72 HG3 PRO 13 HG2 PRO 13 7.898 -2.699 -1.542 73 HD2 PRO 13 HD3 PRO 13 7.605 -0.032 -2.864 74 HD3 PRO 13 HD2 PRO 13 6.433 -1.364 -2.731 75 H GLU 14 H GLU 14 7.761 1.812 -1.341 76 HA GLU 14 HA GLU 14 9.431 3.291 0.459 77 HB2 GLU 14 HB3 GLU 14 9.679 4.820 -1.339 78 HB3 GLU 14 HB2 GLU 14 10.135 3.205 -1.857 79 HG2 GLU 14 HG3 GLU 14 7.523 4.587 -2.492 80 HG3 GLU 14 HG2 GLU 14 8.913 4.573 -3.561 81 H ILE 15 H ILE 15 6.240 2.813 0.218 82 HA ILE 15 HA ILE 15 5.646 5.599 0.998 83 HB ILE 15 HB ILE 15 3.623 3.745 -0.301 84 HG12 ILE 15 HG13 ILE 15 5.374 4.344 -1.956 85 HG13 ILE 15 HG12 ILE 15 3.814 5.046 -2.356 86 HG21 ILE 15 HG21 ILE 15 3.541 6.700 0.284 87 HG22 ILE 15 HG22 ILE 15 2.660 5.437 1.144 88 HG23 ILE 15 HG23 ILE 15 2.279 5.786 -0.543 89 HD11 ILE 15 HD11 ILE 15 6.135 6.480 -1.087 90 HD12 ILE 15 HD12 ILE 15 4.572 7.199 -1.483 91 HD13 ILE 15 HD13 ILE 15 5.624 6.605 -2.774 92 H CYS 16 H CYS 16 4.267 2.385 1.140 93 HA CYS 16 HA CYS 16 3.580 2.872 3.923 94 HB2 CYS 16 2HB CYS 16 2.142 1.423 1.799 95 HB3 CYS 16 1HB CYS 16 1.633 1.384 3.486 96 HN1 NH2 17 1H NH2 17 3.163 -0.154 2.145 97 HN2 NH2 17 2H NH2 17 4.366 -1.029 3.010 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -5.336 5.907 -2.188 2 H2 GLY 1 H2 GLY 1 -6.429 5.017 -3.096 3 H3 GLY 1 H3 GLY 1 -5.985 6.568 -3.605 4 HA2 GLY 1 HA2 GLY 1 -4.850 4.889 -4.909 5 HA3 GLY 1 HA3 GLY 1 -3.693 5.746 -3.893 6 H CYS 2 H CYS 2 -2.493 3.638 -4.393 7 HA CYS 2 HA CYS 2 -3.420 1.248 -3.423 8 HB2 CYS 2 HB3 CYS 2 -0.981 2.324 -4.392 9 HB3 CYS 2 HB2 CYS 2 -0.790 0.838 -3.466 10 H CYS 3 H CYS 3 -1.960 3.794 -1.741 11 HA CYS 3 HA CYS 3 -1.034 2.217 0.396 12 HB2 CYS 3 HB3 CYS 3 -1.757 5.109 0.259 13 HB3 CYS 3 HB2 CYS 3 -1.021 4.336 1.631 14 H SER 4 H SER 4 -3.878 3.961 -0.221 15 HA SER 4 HA SER 4 -5.143 3.504 2.308 16 HB2 SER 4 HB3 SER 4 -6.405 4.238 -0.322 17 HB3 SER 4 HB2 SER 4 -7.048 4.575 1.294 18 HG SER 4 HG SER 4 -4.971 5.748 1.584 19 H HIS 5 H HIS 5 -4.632 1.691 -0.445 20 HA HIS 5 HA HIS 5 -6.741 -0.263 0.004 21 HB2 HIS 5 HB3 HIS 5 -4.697 0.299 -2.055 22 HB3 HIS 5 HB2 HIS 5 -5.391 -1.313 -1.989 23 HD1 HIS 5 HD1 HIS 5 -7.376 -1.580 -3.523 24 HD2 HIS 5 HD2 HIS 5 -6.911 2.346 -2.251 25 HE1 HIS 5 HE1 HIS 5 -9.174 -0.278 -4.660 26 HA PRO 6 HA PRO 6 -3.668 -1.965 2.895 27 HB2 PRO 6 HB2 PRO 6 -5.680 -4.169 2.828 28 HB3 PRO 6 HB3 PRO 6 -4.887 -3.415 4.219 29 HG2 PRO 6 HG3 PRO 6 -7.386 -2.784 3.644 30 HG3 PRO 6 HG2 PRO 6 -6.237 -1.524 4.128 31 HD2 PRO 6 HD3 PRO 6 -7.279 -2.189 1.408 32 HD3 PRO 6 HD2 PRO 6 -6.936 -0.602 2.132 33 H ALA 7 H ALA 7 -5.122 -3.835 0.255 34 HA ALA 7 HA ALA 7 -3.157 -5.887 0.362 35 HB1 ALA 7 HB1 ALA 7 -4.979 -5.239 -1.946 36 HB2 ALA 7 HB2 ALA 7 -5.426 -6.230 -0.559 37 HB3 ALA 7 HB3 ALA 7 -4.143 -6.764 -1.642 38 H CYS 8 H CYS 8 -3.495 -2.968 -1.565 39 HA CYS 8 HA CYS 8 -1.216 -3.676 -3.213 40 HB2 CYS 8 HB3 CYS 8 -3.278 -2.364 -4.008 41 HB3 CYS 8 HB2 CYS 8 -2.618 -1.004 -3.104 42 H ASN 9 H ASN 9 -1.862 -1.994 -0.294 43 HA ASN 9 HA ASN 9 0.387 -0.291 -0.259 44 HB2 ASN 9 HB3 ASN 9 -1.691 -0.242 1.240 45 HB3 ASN 9 HB2 ASN 9 -0.910 -1.534 2.081 46 HD21 ASN 9 HD22 ASN 9 1.187 0.915 0.807 47 HD22 ASN 9 HD21 ASN 9 1.632 1.561 2.348 48 H VAL 10 H VAL 10 -0.248 -3.481 0.695 49 HA VAL 10 HA VAL 10 2.073 -4.234 2.039 50 HB VAL 10 HB VAL 10 0.539 -5.913 0.066 51 HG11 VAL 10 HG11 VAL 10 1.485 -7.881 1.239 52 HG12 VAL 10 HG12 VAL 10 2.473 -6.800 2.220 53 HG13 VAL 10 HG13 VAL 10 2.742 -6.904 0.481 54 HG21 VAL 10 HG21 VAL 10 0.318 -5.716 3.061 55 HG22 VAL 10 HG22 VAL 10 -0.561 -6.862 2.051 56 HG23 VAL 10 HG23 VAL 10 -0.854 -5.131 1.879 57 H ASP 11 H ASP 11 1.580 -3.964 -1.450 58 HA ASP 11 HA ASP 11 4.380 -4.638 -1.836 59 HB2 ASP 11 HB3 ASP 11 3.933 -4.744 -4.241 60 HB3 ASP 11 HB2 ASP 11 2.821 -5.775 -3.352 61 H HIS 12 H HIS 12 2.791 -1.968 -1.090 62 HA HIS 12 HA HIS 12 4.739 -0.250 -2.485 63 HB2 HIS 12 HB3 HIS 12 1.962 0.097 -1.550 64 HB3 HIS 12 HB2 HIS 12 2.990 1.499 -1.643 65 HD1 HIS 12 HD1 HIS 12 2.210 -1.356 -4.203 66 HD2 HIS 12 HD2 HIS 12 2.236 2.791 -3.845 67 HE1 HIS 12 HE1 HIS 12 1.615 -0.463 -6.442 68 HA PRO 13 HA PRO 13 5.364 -0.152 2.204 69 HB2 PRO 13 HB2 PRO 13 8.014 -1.244 1.998 70 HB3 PRO 13 HB3 PRO 13 6.591 -1.997 2.718 71 HG2 PRO 13 HG3 PRO 13 7.808 -2.923 0.434 72 HG3 PRO 13 HG2 PRO 13 6.103 -3.187 0.827 73 HD2 PRO 13 HD3 PRO 13 7.333 -1.143 -0.990 74 HD3 PRO 13 HD2 PRO 13 5.878 -2.136 -1.234 75 H GLU 14 H GLU 14 7.302 0.659 -0.420 76 HA GLU 14 HA GLU 14 9.013 2.512 0.899 77 HB2 GLU 14 HB3 GLU 14 9.687 2.961 -1.439 78 HB3 GLU 14 HB2 GLU 14 9.895 1.284 -0.950 79 HG2 GLU 14 HG3 GLU 14 7.834 0.709 -2.159 80 HG3 GLU 14 HG2 GLU 14 7.630 2.400 -2.605 81 H ILE 15 H ILE 15 5.839 2.477 -0.229 82 HA ILE 15 HA ILE 15 5.912 5.304 -0.962 83 HB ILE 15 HB ILE 15 3.583 3.383 -1.198 84 HG12 ILE 15 HG13 ILE 15 5.426 2.607 -2.613 85 HG13 ILE 15 HG12 ILE 15 4.127 3.243 -3.604 86 HG21 ILE 15 HG21 ILE 15 2.666 5.060 -2.744 87 HG22 ILE 15 HG22 ILE 15 4.060 6.096 -2.440 88 HG23 ILE 15 HG23 ILE 15 2.930 5.733 -1.134 89 HD11 ILE 15 HD11 ILE 15 5.371 5.311 -3.902 90 HD12 ILE 15 HD12 ILE 15 6.274 3.900 -4.462 91 HD13 ILE 15 HD13 ILE 15 6.685 4.652 -2.918 92 H CYS 16 H CYS 16 4.079 3.065 1.011 93 HA CYS 16 HA CYS 16 3.858 5.109 3.054 94 HB2 CYS 16 2HB CYS 16 1.719 3.382 1.999 95 HB3 CYS 16 1HB CYS 16 1.554 4.442 3.389 96 HN1 NH2 17 1H NH2 17 5.397 3.924 4.208 97 HN2 NH2 17 2H NH2 17 5.082 2.355 4.860 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -5.519 5.334 -4.621 2 H2 GLY 1 H2 GLY 1 -5.027 6.936 -4.648 3 H3 GLY 1 H3 GLY 1 -5.443 6.174 -3.167 4 HA2 GLY 1 HA2 GLY 1 -3.158 5.465 -4.877 5 HA3 GLY 1 HA3 GLY 1 -3.078 6.341 -3.348 6 H CYS 2 H CYS 2 -1.909 3.739 -4.087 7 HA CYS 2 HA CYS 2 -3.393 1.633 -3.207 8 HB2 CYS 2 HB3 CYS 2 -0.656 2.195 -3.739 9 HB3 CYS 2 HB2 CYS 2 -0.990 0.682 -2.897 10 H CYS 3 H CYS 3 -1.798 3.920 -1.331 11 HA CYS 3 HA CYS 3 -1.362 2.380 0.933 12 HB2 CYS 3 HB3 CYS 3 -1.915 5.278 0.571 13 HB3 CYS 3 HB2 CYS 3 -1.614 4.572 2.145 14 H SER 4 H SER 4 -4.120 4.038 -0.127 15 HA SER 4 HA SER 4 -5.743 3.411 2.167 16 HB2 SER 4 HB3 SER 4 -6.571 4.355 -0.575 17 HB3 SER 4 HB2 SER 4 -7.530 4.461 0.907 18 HG SER 4 HG SER 4 -6.003 5.827 1.769 19 H HIS 5 H HIS 5 -4.544 1.528 -0.177 20 HA HIS 5 HA HIS 5 -6.830 -0.302 -0.409 21 HB2 HIS 5 HB3 HIS 5 -4.334 0.158 -1.991 22 HB3 HIS 5 HB2 HIS 5 -5.302 -1.289 -2.243 23 HD1 HIS 5 HD1 HIS 5 -6.768 -1.022 -4.256 24 HD2 HIS 5 HD2 HIS 5 -6.054 2.598 -2.371 25 HE1 HIS 5 HE1 HIS 5 -7.989 0.709 -5.611 26 HA PRO 6 HA PRO 6 -4.208 -2.276 2.805 27 HB2 PRO 6 HB2 PRO 6 -6.279 -4.379 2.373 28 HB3 PRO 6 HB3 PRO 6 -5.647 -3.721 3.890 29 HG2 PRO 6 HG3 PRO 6 -8.027 -2.960 3.074 30 HG3 PRO 6 HG2 PRO 6 -6.892 -1.755 3.705 31 HD2 PRO 6 HD3 PRO 6 -7.604 -2.353 0.856 32 HD3 PRO 6 HD2 PRO 6 -7.379 -0.780 1.654 33 H ALA 7 H ALA 7 -5.536 -3.982 -0.006 34 HA ALA 7 HA ALA 7 -3.568 -6.037 0.086 35 HB1 ALA 7 HB1 ALA 7 -5.811 -6.400 -0.866 36 HB2 ALA 7 HB2 ALA 7 -4.518 -6.814 -1.992 37 HB3 ALA 7 HB3 ALA 7 -5.400 -5.307 -2.188 38 H CYS 8 H CYS 8 -3.643 -2.891 -1.319 39 HA CYS 8 HA CYS 8 -1.305 -3.557 -3.008 40 HB2 CYS 8 HB3 CYS 8 -3.394 -2.358 -3.988 41 HB3 CYS 8 HB2 CYS 8 -2.867 -0.976 -3.035 42 H ASN 9 H ASN 9 -1.764 -2.818 -0.008 43 HA ASN 9 HA ASN 9 -0.178 -0.402 0.238 44 HB2 ASN 9 HB3 ASN 9 -2.139 -0.996 1.732 45 HB3 ASN 9 HB2 ASN 9 -1.089 -2.241 2.385 46 HD21 ASN 9 HD22 ASN 9 -1.726 1.110 2.273 47 HD22 ASN 9 HD21 ASN 9 -0.655 1.601 3.533 48 H VAL 10 H VAL 10 -0.005 -3.716 1.198 49 HA VAL 10 HA VAL 10 2.453 -3.600 2.503 50 HB VAL 10 HB VAL 10 0.924 -5.431 2.890 51 HG11 VAL 10 HG11 VAL 10 1.608 -6.391 0.127 52 HG12 VAL 10 HG12 VAL 10 0.046 -5.779 0.672 53 HG13 VAL 10 HG13 VAL 10 0.677 -7.294 1.321 54 HG21 VAL 10 HG21 VAL 10 3.241 -5.804 3.467 55 HG22 VAL 10 HG22 VAL 10 3.573 -6.399 1.840 56 HG23 VAL 10 HG23 VAL 10 2.503 -7.306 2.909 57 H ASP 11 H ASP 11 1.870 -4.201 -0.937 58 HA ASP 11 HA ASP 11 4.673 -4.744 -1.232 59 HB2 ASP 11 HB3 ASP 11 4.181 -5.158 -3.639 60 HB3 ASP 11 HB2 ASP 11 3.280 -6.179 -2.532 61 H HIS 12 H HIS 12 3.245 -1.951 -0.777 62 HA HIS 12 HA HIS 12 5.118 -0.620 -2.554 63 HB2 HIS 12 HB3 HIS 12 2.478 0.144 -1.512 64 HB3 HIS 12 HB2 HIS 12 3.641 1.412 -1.836 65 HD1 HIS 12 HD1 HIS 12 4.202 1.795 -4.475 66 HD2 HIS 12 HD2 HIS 12 1.244 -1.021 -3.622 67 HE1 HIS 12 HE1 HIS 12 3.004 1.396 -6.612 68 HA PRO 13 HA PRO 13 6.616 -0.082 1.874 69 HB2 PRO 13 HB2 PRO 13 9.279 -0.409 0.639 70 HB3 PRO 13 HB3 PRO 13 8.583 -1.282 2.007 71 HG2 PRO 13 HG3 PRO 13 8.960 -2.479 -0.362 72 HG3 PRO 13 HG2 PRO 13 7.563 -2.860 0.658 73 HD2 PRO 13 HD3 PRO 13 7.719 -1.085 -1.753 74 HD3 PRO 13 HD2 PRO 13 6.480 -2.285 -1.322 75 H GLU 14 H GLU 14 7.519 1.022 -1.164 76 HA GLU 14 HA GLU 14 9.014 3.303 -0.692 77 HB2 GLU 14 HB3 GLU 14 8.031 3.922 -2.953 78 HB3 GLU 14 HB2 GLU 14 9.034 2.476 -2.866 79 HG2 GLU 14 HG3 GLU 14 7.091 1.078 -2.931 80 HG3 GLU 14 HG2 GLU 14 6.019 2.453 -2.750 81 H ILE 15 H ILE 15 5.532 2.787 -0.638 82 HA ILE 15 HA ILE 15 5.239 5.684 -0.243 83 HB ILE 15 HB ILE 15 2.908 3.869 -0.939 84 HG12 ILE 15 HG13 ILE 15 4.600 5.470 -2.885 85 HG13 ILE 15 HG12 ILE 15 4.602 3.716 -2.752 86 HG21 ILE 15 HG21 ILE 15 2.396 6.072 0.010 87 HG22 ILE 15 HG22 ILE 15 1.914 6.002 -1.686 88 HG23 ILE 15 HG23 ILE 15 3.392 6.844 -1.224 89 HD11 ILE 15 HD11 ILE 15 2.250 5.412 -3.556 90 HD12 ILE 15 HD12 ILE 15 2.260 3.654 -3.430 91 HD13 ILE 15 HD13 ILE 15 3.260 4.454 -4.640 92 H CYS 16 H CYS 16 4.019 2.579 0.859 93 HA CYS 16 HA CYS 16 3.797 3.637 3.521 94 HB2 CYS 16 2HB CYS 16 1.658 2.400 1.926 95 HB3 CYS 16 1HB CYS 16 1.568 2.486 3.679 96 HN1 NH2 17 1H NH2 17 2.360 0.627 2.377 97 HN2 NH2 17 2H NH2 17 3.533 -0.415 3.068 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -4.485 6.439 -3.051 2 H2 GLY 1 H2 GLY 1 -5.308 5.737 -4.338 3 H3 GLY 1 H3 GLY 1 -4.383 7.132 -4.595 4 HA2 GLY 1 HA2 GLY 1 -3.214 5.164 -5.374 5 HA3 GLY 1 HA3 GLY 1 -2.383 5.855 -3.977 6 H CYS 2 H CYS 2 -1.801 3.288 -4.408 7 HA CYS 2 HA CYS 2 -3.620 1.437 -3.465 8 HB2 CYS 2 HB3 CYS 2 -0.873 1.523 -4.153 9 HB3 CYS 2 HB2 CYS 2 -1.345 0.150 -3.163 10 H CYS 3 H CYS 3 -1.552 3.467 -1.730 11 HA CYS 3 HA CYS 3 -1.458 1.768 0.486 12 HB2 CYS 3 HB3 CYS 3 -0.708 4.535 0.007 13 HB3 CYS 3 HB2 CYS 3 -1.133 4.106 1.662 14 H SER 4 H SER 4 -3.788 3.902 -0.552 15 HA SER 4 HA SER 4 -5.387 3.851 1.831 16 HB2 SER 4 HB3 SER 4 -6.287 4.325 -1.011 17 HB3 SER 4 HB2 SER 4 -7.103 4.859 0.463 18 HG SER 4 HG SER 4 -5.434 6.244 0.877 19 H HIS 5 H HIS 5 -4.486 1.383 -0.141 20 HA HIS 5 HA HIS 5 -6.991 -0.115 0.117 21 HB2 HIS 5 HB3 HIS 5 -4.877 -0.214 -2.039 22 HB3 HIS 5 HB2 HIS 5 -6.232 -1.337 -1.935 23 HD1 HIS 5 HD1 HIS 5 -8.494 -0.516 -2.867 24 HD2 HIS 5 HD2 HIS 5 -5.545 2.399 -2.846 25 HE1 HIS 5 HE1 HIS 5 -9.385 1.392 -4.254 26 HA PRO 6 HA PRO 6 -4.387 -2.136 3.205 27 HB2 PRO 6 HB2 PRO 6 -6.399 -4.281 2.688 28 HB3 PRO 6 HB3 PRO 6 -5.780 -3.669 4.228 29 HG2 PRO 6 HG3 PRO 6 -8.155 -2.887 3.374 30 HG3 PRO 6 HG2 PRO 6 -7.047 -1.716 4.110 31 HD2 PRO 6 HD3 PRO 6 -7.774 -2.093 1.244 32 HD3 PRO 6 HD2 PRO 6 -7.394 -0.601 2.130 33 H ALA 7 H ALA 7 -5.486 -4.261 0.547 34 HA ALA 7 HA ALA 7 -3.242 -5.988 0.919 35 HB1 ALA 7 HB1 ALA 7 -5.117 -5.988 -1.437 36 HB2 ALA 7 HB2 ALA 7 -5.408 -6.831 0.083 37 HB3 ALA 7 HB3 ALA 7 -4.044 -7.291 -0.934 38 H CYS 8 H CYS 8 -3.862 -3.319 -1.240 39 HA CYS 8 HA CYS 8 -1.589 -3.942 -2.946 40 HB2 CYS 8 HB3 CYS 8 -3.804 -2.704 -3.621 41 HB3 CYS 8 HB2 CYS 8 -3.021 -1.309 -2.881 42 H ASN 9 H ASN 9 -2.233 -2.254 -0.114 43 HA ASN 9 HA ASN 9 -0.272 -0.272 0.089 44 HB2 ASN 9 HB3 ASN 9 -2.186 -0.896 1.661 45 HB3 ASN 9 HB2 ASN 9 -1.107 -2.151 2.229 46 HD21 ASN 9 HD22 ASN 9 -1.873 1.129 2.354 47 HD22 ASN 9 HD21 ASN 9 -0.680 1.620 3.498 48 H VAL 10 H VAL 10 -0.260 -3.648 0.664 49 HA VAL 10 HA VAL 10 2.130 -4.045 2.016 50 HB VAL 10 HB VAL 10 0.708 -5.938 0.176 51 HG11 VAL 10 HG11 VAL 10 1.816 -7.744 1.457 52 HG12 VAL 10 HG12 VAL 10 2.748 -6.526 2.331 53 HG13 VAL 10 HG13 VAL 10 2.979 -6.735 0.597 54 HG21 VAL 10 HG21 VAL 10 -0.729 -5.154 1.937 55 HG22 VAL 10 HG22 VAL 10 0.505 -5.522 3.146 56 HG23 VAL 10 HG23 VAL 10 -0.268 -6.828 2.254 57 H ASP 11 H ASP 11 1.644 -3.771 -1.497 58 HA ASP 11 HA ASP 11 4.409 -4.576 -1.743 59 HB2 ASP 11 HB3 ASP 11 4.120 -4.844 -4.128 60 HB3 ASP 11 HB2 ASP 11 2.881 -5.736 -3.264 61 H HIS 12 H HIS 12 3.029 -1.736 -1.174 62 HA HIS 12 HA HIS 12 5.049 -0.388 -2.742 63 HB2 HIS 12 HB3 HIS 12 2.414 0.555 -1.763 64 HB3 HIS 12 HB2 HIS 12 3.667 1.636 -2.290 65 HD1 HIS 12 HD1 HIS 12 4.280 1.507 -4.959 66 HD2 HIS 12 HD2 HIS 12 0.929 -0.646 -3.721 67 HE1 HIS 12 HE1 HIS 12 2.978 0.999 -7.040 68 HA PRO 13 HA PRO 13 6.291 0.167 1.722 69 HB2 PRO 13 HB2 PRO 13 9.000 -0.352 0.706 70 HB3 PRO 13 HB3 PRO 13 8.146 -1.143 2.033 71 HG2 PRO 13 HG3 PRO 13 8.631 -2.418 -0.273 72 HG3 PRO 13 HG2 PRO 13 7.136 -2.687 0.643 73 HD2 PRO 13 HD3 PRO 13 7.580 -0.975 -1.781 74 HD3 PRO 13 HD2 PRO 13 6.254 -2.100 -1.429 75 H GLU 14 H GLU 14 7.019 1.443 -1.289 76 HA GLU 14 HA GLU 14 8.806 3.500 -0.738 77 HB2 GLU 14 HB3 GLU 14 7.961 4.427 -2.818 78 HB3 GLU 14 HB2 GLU 14 8.283 2.715 -2.988 79 HG2 GLU 14 HG3 GLU 14 5.842 2.303 -2.669 80 HG3 GLU 14 HG2 GLU 14 5.625 4.054 -2.663 81 H ILE 15 H ILE 15 5.376 3.139 -0.249 82 HA ILE 15 HA ILE 15 5.223 5.913 0.724 83 HB ILE 15 HB ILE 15 2.896 4.042 0.236 84 HG12 ILE 15 HG13 ILE 15 3.891 4.420 -1.934 85 HG13 ILE 15 HG12 ILE 15 2.412 5.343 -1.794 86 HG21 ILE 15 HG21 ILE 15 1.548 6.096 0.303 87 HG22 ILE 15 HG22 ILE 15 3.012 7.021 0.644 88 HG23 ILE 15 HG23 ILE 15 2.437 5.824 1.805 89 HD11 ILE 15 HD11 ILE 15 3.687 7.375 -1.375 90 HD12 ILE 15 HD12 ILE 15 4.137 6.617 -2.906 91 HD13 ILE 15 HD13 ILE 15 5.188 6.446 -1.499 92 H CYS 16 H CYS 16 3.998 2.721 1.329 93 HA CYS 16 HA CYS 16 3.916 3.267 4.186 94 HB2 CYS 16 2HB CYS 16 2.584 1.238 2.507 95 HB3 CYS 16 1HB CYS 16 2.286 1.461 4.232 96 HN1 NH2 17 1H NH2 17 6.001 2.736 4.726 97 HN2 NH2 17 2H NH2 17 6.698 1.172 4.509 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 -4.996 5.828 -2.352 2 H2 GLY 1 H2 GLY 1 -6.159 5.217 -3.406 3 H3 GLY 1 H3 GLY 1 -5.457 6.720 -3.705 4 HA2 GLY 1 HA2 GLY 1 -4.557 4.950 -5.133 5 HA3 GLY 1 HA3 GLY 1 -3.323 5.638 -4.075 6 H CYS 2 H CYS 2 -2.246 3.482 -4.425 7 HA CYS 2 HA CYS 2 -3.503 1.191 -3.570 8 HB2 CYS 2 HB3 CYS 2 -0.912 1.980 -4.396 9 HB3 CYS 2 HB2 CYS 2 -0.929 0.514 -3.415 10 H CYS 3 H CYS 3 -1.859 3.562 -1.812 11 HA CYS 3 HA CYS 3 -1.460 1.853 0.396 12 HB2 CYS 3 HB3 CYS 3 -1.147 4.731 -0.078 13 HB3 CYS 3 HB2 CYS 3 -1.333 4.188 1.581 14 H SER 4 H SER 4 -3.957 3.889 -0.608 15 HA SER 4 HA SER 4 -5.540 3.804 1.773 16 HB2 SER 4 HB3 SER 4 -6.549 4.088 -1.071 17 HB3 SER 4 HB2 SER 4 -7.314 4.690 0.404 18 HG SER 4 HG SER 4 -5.543 6.092 0.673 19 H HIS 5 H HIS 5 -4.829 1.582 -0.680 20 HA HIS 5 HA HIS 5 -7.026 -0.248 -0.094 21 HB2 HIS 5 HB3 HIS 5 -4.881 -0.098 -2.183 22 HB3 HIS 5 HB2 HIS 5 -5.777 -1.585 -1.954 23 HD1 HIS 5 HD1 HIS 5 -7.828 -1.777 -3.391 24 HD2 HIS 5 HD2 HIS 5 -6.647 2.166 -2.837 25 HE1 HIS 5 HE1 HIS 5 -9.346 -0.389 -4.854 26 HA PRO 6 HA PRO 6 -4.163 -1.852 3.096 27 HB2 PRO 6 HB2 PRO 6 -6.241 -4.000 2.917 28 HB3 PRO 6 HB3 PRO 6 -5.508 -3.269 4.352 29 HG2 PRO 6 HG3 PRO 6 -7.925 -2.512 3.641 30 HG3 PRO 6 HG2 PRO 6 -6.737 -1.291 4.125 31 HD2 PRO 6 HD3 PRO 6 -7.684 -2.021 1.385 32 HD3 PRO 6 HD2 PRO 6 -7.306 -0.424 2.062 33 H ALA 7 H ALA 7 -5.452 -3.794 0.432 34 HA ALA 7 HA ALA 7 -3.499 -5.851 0.692 35 HB1 ALA 7 HB1 ALA 7 -4.380 -6.746 -1.364 36 HB2 ALA 7 HB2 ALA 7 -5.205 -5.230 -1.706 37 HB3 ALA 7 HB3 ALA 7 -5.717 -6.218 -0.338 38 H CYS 8 H CYS 8 -3.773 -2.993 -1.368 39 HA CYS 8 HA CYS 8 -1.426 -3.739 -2.934 40 HB2 CYS 8 HB3 CYS 8 -3.559 -2.424 -3.729 41 HB3 CYS 8 HB2 CYS 8 -2.748 -1.053 -2.984 42 H ASN 9 H ASN 9 -2.071 -2.218 -0.078 43 HA ASN 9 HA ASN 9 -0.227 -0.134 0.166 44 HB2 ASN 9 HB3 ASN 9 -2.118 -0.796 1.702 45 HB3 ASN 9 HB2 ASN 9 -1.050 -2.067 2.256 46 HD21 ASN 9 HD22 ASN 9 -1.678 1.269 2.290 47 HD22 ASN 9 HD21 ASN 9 -0.546 1.730 3.511 48 H VAL 10 H VAL 10 -0.047 -3.494 0.849 49 HA VAL 10 HA VAL 10 2.453 -3.606 2.122 50 HB VAL 10 HB VAL 10 1.086 -5.797 0.594 51 HG11 VAL 10 HG11 VAL 10 3.157 -5.967 2.783 52 HG12 VAL 10 HG12 VAL 10 3.397 -6.373 1.084 53 HG13 VAL 10 HG13 VAL 10 2.308 -7.344 2.077 54 HG21 VAL 10 HG21 VAL 10 0.841 -5.041 3.500 55 HG22 VAL 10 HG22 VAL 10 0.133 -6.478 2.764 56 HG23 VAL 10 HG23 VAL 10 -0.406 -4.874 2.265 57 H ASP 11 H ASP 11 1.648 -3.760 -1.319 58 HA ASP 11 HA ASP 11 4.393 -4.449 -1.859 59 HB2 ASP 11 HB3 ASP 11 3.765 -4.669 -4.257 60 HB3 ASP 11 HB2 ASP 11 2.845 -5.714 -3.198 61 H HIS 12 H HIS 12 3.085 -1.650 -1.113 62 HA HIS 12 HA HIS 12 5.009 -0.247 -2.771 63 HB2 HIS 12 HB3 HIS 12 2.431 0.578 -1.571 64 HB3 HIS 12 HB2 HIS 12 3.636 1.759 -2.020 65 HD1 HIS 12 HD1 HIS 12 3.740 2.365 -4.560 66 HD2 HIS 12 HD2 HIS 12 1.265 -0.867 -3.714 67 HE1 HIS 12 HE1 HIS 12 2.428 1.949 -6.636 68 HA PRO 13 HA PRO 13 6.287 -0.352 1.715 69 HB2 PRO 13 HB2 PRO 13 8.981 -0.951 0.828 70 HB3 PRO 13 HB3 PRO 13 7.897 -1.956 1.789 71 HG2 PRO 13 HG3 PRO 13 8.630 -2.543 -0.769 72 HG3 PRO 13 HG2 PRO 13 7.098 -3.067 -0.053 73 HD2 PRO 13 HD3 PRO 13 7.649 -0.786 -1.909 74 HD3 PRO 13 HD2 PRO 13 6.282 -1.924 -1.889 75 H GLU 14 H GLU 14 7.434 1.300 -0.991 76 HA GLU 14 HA GLU 14 9.186 3.040 0.426 77 HB2 GLU 14 HB3 GLU 14 9.296 4.160 -1.766 78 HB3 GLU 14 HB2 GLU 14 9.823 2.482 -1.777 79 HG2 GLU 14 HG3 GLU 14 7.603 1.881 -2.724 80 HG3 GLU 14 HG2 GLU 14 7.209 3.601 -2.780 81 H ILE 15 H ILE 15 5.856 2.915 -0.315 82 HA ILE 15 HA ILE 15 5.566 5.759 0.342 83 HB ILE 15 HB ILE 15 3.358 3.885 -0.577 84 HG12 ILE 15 HG13 ILE 15 5.038 5.761 -2.279 85 HG13 ILE 15 HG12 ILE 15 5.044 4.000 -2.337 86 HG21 ILE 15 HG21 ILE 15 2.184 5.982 -1.112 87 HG22 ILE 15 HG22 ILE 15 3.563 6.903 -0.513 88 HG23 ILE 15 HG23 ILE 15 2.623 5.903 0.595 89 HD11 ILE 15 HD11 ILE 15 2.691 5.743 -3.017 90 HD12 ILE 15 HD12 ILE 15 2.762 3.986 -3.137 91 HD13 ILE 15 HD13 ILE 15 3.776 4.986 -4.181 92 H CYS 16 H CYS 16 4.470 2.533 1.105 93 HA CYS 16 HA CYS 16 3.894 3.363 3.820 94 HB2 CYS 16 2HB CYS 16 2.374 1.620 2.003 95 HB3 CYS 16 1HB CYS 16 2.056 1.723 3.731 96 HN1 NH2 17 1H NH2 17 5.897 2.490 4.418 97 HN2 NH2 17 2H NH2 17 6.213 0.784 4.423 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 -5.825 6.136 -3.381 2 H2 GLY 1 H2 GLY 1 -5.424 5.442 -4.877 3 H3 GLY 1 H3 GLY 1 -5.173 7.093 -4.622 4 HA2 GLY 1 HA2 GLY 1 -3.129 5.841 -4.489 5 HA3 GLY 1 HA3 GLY 1 -3.535 6.564 -2.937 6 H CYS 2 H CYS 2 -2.061 4.042 -3.874 7 HA CYS 2 HA CYS 2 -3.550 1.841 -3.150 8 HB2 CYS 2 HB3 CYS 2 -0.839 2.478 -3.676 9 HB3 CYS 2 HB2 CYS 2 -1.099 0.950 -2.840 10 H CYS 3 H CYS 3 -2.010 4.102 -1.210 11 HA CYS 3 HA CYS 3 -1.499 2.414 0.932 12 HB2 CYS 3 HB3 CYS 3 -1.980 5.333 0.728 13 HB3 CYS 3 HB2 CYS 3 -1.684 4.556 2.270 14 H SER 4 H SER 4 -4.263 4.075 -0.011 15 HA SER 4 HA SER 4 -5.872 3.258 2.244 16 HB2 SER 4 HB3 SER 4 -6.677 4.405 -0.433 17 HB3 SER 4 HB2 SER 4 -7.745 4.242 0.964 18 HG SER 4 HG SER 4 -5.969 5.425 2.066 19 H HIS 5 H HIS 5 -4.547 1.483 -0.049 20 HA HIS 5 HA HIS 5 -6.742 -0.461 -0.260 21 HB2 HIS 5 HB3 HIS 5 -4.530 0.295 -2.105 22 HB3 HIS 5 HB2 HIS 5 -5.375 -1.238 -2.310 23 HD1 HIS 5 HD1 HIS 5 -7.564 -1.132 -3.653 24 HD2 HIS 5 HD2 HIS 5 -6.134 2.624 -2.591 25 HE1 HIS 5 HE1 HIS 5 -9.012 0.521 -4.868 26 HA PRO 6 HA PRO 6 -3.574 -2.149 2.681 27 HB2 PRO 6 HB2 PRO 6 -5.606 -4.333 2.511 28 HB3 PRO 6 HB3 PRO 6 -4.773 -3.691 3.931 29 HG2 PRO 6 HG3 PRO 6 -7.277 -2.975 3.441 30 HG3 PRO 6 HG2 PRO 6 -6.099 -1.780 4.011 31 HD2 PRO 6 HD3 PRO 6 -7.249 -2.150 1.291 32 HD3 PRO 6 HD2 PRO 6 -6.748 -0.662 2.116 33 H ALA 7 H ALA 7 -5.113 -4.060 0.111 34 HA ALA 7 HA ALA 7 -3.092 -6.040 -0.016 35 HB1 ALA 7 HB1 ALA 7 -5.113 -5.287 -2.119 36 HB2 ALA 7 HB2 ALA 7 -5.366 -6.446 -0.815 37 HB3 ALA 7 HB3 ALA 7 -4.171 -6.775 -2.068 38 H CYS 8 H CYS 8 -3.314 -2.885 -1.431 39 HA CYS 8 HA CYS 8 -1.164 -3.482 -3.354 40 HB2 CYS 8 HB3 CYS 8 -3.245 -2.057 -3.924 41 HB3 CYS 8 HB2 CYS 8 -2.528 -0.862 -2.848 42 H ASN 9 H ASN 9 -1.795 -2.140 -0.316 43 HA ASN 9 HA ASN 9 0.380 -0.283 -0.131 44 HB2 ASN 9 HB3 ASN 9 -1.847 -0.308 1.110 45 HB3 ASN 9 HB2 ASN 9 -1.129 -1.593 2.048 46 HD21 ASN 9 HD22 ASN 9 -2.043 1.037 2.772 47 HD22 ASN 9 HD21 ASN 9 -0.751 1.794 3.636 48 H VAL 10 H VAL 10 -0.364 -3.480 0.893 49 HA VAL 10 HA VAL 10 1.828 -3.973 2.537 50 HB VAL 10 HB VAL 10 -0.241 -5.351 2.472 51 HG11 VAL 10 HG11 VAL 10 -0.453 -7.195 0.890 52 HG12 VAL 10 HG12 VAL 10 0.933 -6.569 -0.001 53 HG13 VAL 10 HG13 VAL 10 -0.545 -5.615 0.110 54 HG21 VAL 10 HG21 VAL 10 2.319 -6.909 2.196 55 HG22 VAL 10 HG22 VAL 10 0.825 -7.514 2.907 56 HG23 VAL 10 HG23 VAL 10 1.689 -6.183 3.676 57 H ASP 11 H ASP 11 1.723 -3.912 -0.950 58 HA ASP 11 HA ASP 11 4.412 -5.022 -0.861 59 HB2 ASP 11 HB3 ASP 11 4.296 -5.718 -3.147 60 HB3 ASP 11 HB2 ASP 11 2.900 -6.348 -2.292 61 H HIS 12 H HIS 12 3.099 -2.108 -0.842 62 HA HIS 12 HA HIS 12 5.321 -1.069 -2.370 63 HB2 HIS 12 HB3 HIS 12 2.593 -0.057 -1.962 64 HB3 HIS 12 HB2 HIS 12 3.893 1.060 -2.315 65 HD1 HIS 12 HD1 HIS 12 5.219 0.238 -4.799 66 HD2 HIS 12 HD2 HIS 12 1.297 -0.945 -4.044 67 HE1 HIS 12 HE1 HIS 12 4.237 -0.316 -7.020 68 HA PRO 13 HA PRO 13 6.030 0.138 2.059 69 HB2 PRO 13 HB2 PRO 13 8.659 -0.433 2.135 70 HB3 PRO 13 HB3 PRO 13 7.447 -1.697 2.371 71 HG2 PRO 13 HG3 PRO 13 9.005 -1.000 -0.088 72 HG3 PRO 13 HG2 PRO 13 8.652 -2.601 0.585 73 HD2 PRO 13 HD3 PRO 13 7.271 -1.530 -1.490 74 HD3 PRO 13 HD2 PRO 13 6.532 -2.644 -0.323 75 H GLU 14 H GLU 14 7.229 0.860 -0.957 76 HA GLU 14 HA GLU 14 8.952 3.014 -0.477 77 HB2 GLU 14 HB3 GLU 14 8.657 3.363 -2.859 78 HB3 GLU 14 HB2 GLU 14 8.960 1.666 -2.503 79 HG2 GLU 14 HG3 GLU 14 6.481 1.297 -2.655 80 HG3 GLU 14 HG2 GLU 14 6.355 2.971 -3.187 81 H ILE 15 H ILE 15 5.473 2.632 -0.751 82 HA ILE 15 HA ILE 15 5.137 5.538 -0.843 83 HB ILE 15 HB ILE 15 2.927 3.461 -1.065 84 HG12 ILE 15 HG13 ILE 15 4.431 3.084 -2.951 85 HG13 ILE 15 HG12 ILE 15 2.956 3.844 -3.501 86 HG21 ILE 15 HG21 ILE 15 2.182 5.695 -0.447 87 HG22 ILE 15 HG22 ILE 15 1.664 5.302 -2.089 88 HG23 ILE 15 HG23 ILE 15 3.037 6.376 -1.832 89 HD11 ILE 15 HD11 ILE 15 4.092 6.005 -3.640 90 HD12 ILE 15 HD12 ILE 15 4.892 4.784 -4.632 91 HD13 ILE 15 HD13 ILE 15 5.587 5.253 -3.081 92 H CYS 16 H CYS 16 3.861 2.733 0.825 93 HA CYS 16 HA CYS 16 3.923 4.246 3.285 94 HB2 CYS 16 2HB CYS 16 1.742 2.607 2.188 95 HB3 CYS 16 1HB CYS 16 1.836 2.907 3.921 96 HN1 NH2 17 1H NH2 17 2.801 0.923 2.749 97 HN2 NH2 17 2H NH2 17 4.148 0.191 3.537 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -5.909 6.973 -3.883 2 H2 GLY 1 H2 GLY 1 -5.572 6.250 -2.399 3 H3 GLY 1 H3 GLY 1 -6.446 5.404 -3.557 4 HA2 GLY 1 HA2 GLY 1 -4.521 5.339 -4.995 5 HA3 GLY 1 HA3 GLY 1 -3.607 6.147 -3.726 6 H CYS 2 H CYS 2 -2.435 3.904 -4.240 7 HA CYS 2 HA CYS 2 -3.587 1.570 -3.349 8 HB2 CYS 2 HB3 CYS 2 -1.017 2.500 -4.089 9 HB3 CYS 2 HB2 CYS 2 -0.990 1.017 -3.139 10 H CYS 3 H CYS 3 -2.185 4.055 -1.560 11 HA CYS 3 HA CYS 3 -1.489 2.469 0.630 12 HB2 CYS 3 HB3 CYS 3 -1.889 5.371 0.237 13 HB3 CYS 3 HB2 CYS 3 -1.663 4.714 1.847 14 H SER 4 H SER 4 -4.327 4.040 -0.252 15 HA SER 4 HA SER 4 -5.789 3.391 2.156 16 HB2 SER 4 HB3 SER 4 -6.857 4.212 -0.551 17 HB3 SER 4 HB2 SER 4 -7.729 4.282 0.983 18 HG SER 4 HG SER 4 -6.672 5.996 1.546 19 H HIS 5 H HIS 5 -4.641 1.569 -0.292 20 HA HIS 5 HA HIS 5 -6.832 -0.373 -0.291 21 HB2 HIS 5 HB3 HIS 5 -4.588 0.225 -2.163 22 HB3 HIS 5 HB2 HIS 5 -5.399 -1.331 -2.253 23 HD1 HIS 5 HD1 HIS 5 -7.244 -1.347 -3.974 24 HD2 HIS 5 HD2 HIS 5 -6.601 2.447 -2.425 25 HE1 HIS 5 HE1 HIS 5 -8.827 0.174 -5.198 26 HA PRO 6 HA PRO 6 -4.161 -2.131 2.943 27 HB2 PRO 6 HB2 PRO 6 -6.063 -4.357 2.338 28 HB3 PRO 6 HB3 PRO 6 -5.504 -3.755 3.904 29 HG2 PRO 6 HG3 PRO 6 -7.894 -3.072 3.022 30 HG3 PRO 6 HG2 PRO 6 -6.857 -1.871 3.813 31 HD2 PRO 6 HD3 PRO 6 -7.516 -2.192 0.925 32 HD3 PRO 6 HD2 PRO 6 -7.206 -0.715 1.860 33 H ALA 7 H ALA 7 -5.130 -4.046 0.113 34 HA ALA 7 HA ALA 7 -2.969 -5.884 0.434 35 HB1 ALA 7 HB1 ALA 7 -3.684 -6.873 -1.653 36 HB2 ALA 7 HB2 ALA 7 -4.719 -5.486 -1.984 37 HB3 ALA 7 HB3 ALA 7 -5.079 -6.550 -0.624 38 H CYS 8 H CYS 8 -3.440 -2.994 -1.476 39 HA CYS 8 HA CYS 8 -1.073 -3.504 -3.109 40 HB2 CYS 8 HB3 CYS 8 -3.198 -2.281 -3.920 41 HB3 CYS 8 HB2 CYS 8 -2.632 -0.931 -2.938 42 H ASN 9 H ASN 9 -1.905 -1.970 -0.215 43 HA ASN 9 HA ASN 9 0.041 0.025 0.056 44 HB2 ASN 9 HB3 ASN 9 -1.998 -0.453 1.514 45 HB3 ASN 9 HB2 ASN 9 -1.024 -1.744 2.187 46 HD21 ASN 9 HD22 ASN 9 -1.672 1.559 2.249 47 HD22 ASN 9 HD21 ASN 9 -0.522 2.011 3.462 48 H VAL 10 H VAL 10 -0.069 -3.306 0.930 49 HA VAL 10 HA VAL 10 2.323 -3.513 2.373 50 HB VAL 10 HB VAL 10 0.854 -5.679 0.902 51 HG11 VAL 10 HG11 VAL 10 3.114 -6.395 1.489 52 HG12 VAL 10 HG12 VAL 10 1.928 -7.233 2.490 53 HG13 VAL 10 HG13 VAL 10 2.854 -5.890 3.159 54 HG21 VAL 10 HG21 VAL 10 -0.175 -6.167 3.095 55 HG22 VAL 10 HG22 VAL 10 -0.587 -4.562 2.492 56 HG23 VAL 10 HG23 VAL 10 0.627 -4.744 3.757 57 H ASP 11 H ASP 11 1.705 -3.985 -1.097 58 HA ASP 11 HA ASP 11 4.442 -4.834 -1.392 59 HB2 ASP 11 HB3 ASP 11 3.992 -5.293 -3.751 60 HB3 ASP 11 HB2 ASP 11 2.820 -6.081 -2.717 61 H HIS 12 H HIS 12 3.137 -1.937 -1.088 62 HA HIS 12 HA HIS 12 5.290 -0.748 -2.642 63 HB2 HIS 12 HB3 HIS 12 2.625 0.234 -1.826 64 HB3 HIS 12 HB2 HIS 12 3.906 1.358 -2.221 65 HD1 HIS 12 HD1 HIS 12 4.695 1.229 -4.883 66 HD2 HIS 12 HD2 HIS 12 1.201 -0.775 -3.835 67 HE1 HIS 12 HE1 HIS 12 3.455 0.876 -7.018 68 HA PRO 13 HA PRO 13 6.008 -0.370 1.973 69 HB2 PRO 13 HB2 PRO 13 8.806 -1.017 1.366 70 HB3 PRO 13 HB3 PRO 13 7.693 -1.841 2.461 71 HG2 PRO 13 HG3 PRO 13 8.491 -2.977 0.164 72 HG3 PRO 13 HG2 PRO 13 6.857 -3.213 0.810 73 HD2 PRO 13 HD3 PRO 13 7.788 -1.337 -1.328 74 HD3 PRO 13 HD2 PRO 13 6.373 -2.421 -1.336 75 H GLU 14 H GLU 14 7.670 0.774 -0.740 76 HA GLU 14 HA GLU 14 9.141 2.827 0.507 77 HB2 GLU 14 HB3 GLU 14 9.438 3.569 -1.850 78 HB3 GLU 14 HB2 GLU 14 9.989 1.934 -1.513 79 HG2 GLU 14 HG3 GLU 14 7.819 1.123 -2.494 80 HG3 GLU 14 HG2 GLU 14 7.484 2.792 -2.950 81 H ILE 15 H ILE 15 5.905 2.526 -0.699 82 HA ILE 15 HA ILE 15 5.534 5.417 -0.566 83 HB ILE 15 HB ILE 15 3.490 3.316 -1.393 84 HG12 ILE 15 HG13 ILE 15 5.193 5.154 -3.092 85 HG13 ILE 15 HG12 ILE 15 5.342 3.403 -2.994 86 HG21 ILE 15 HG21 ILE 15 3.456 6.325 -1.670 87 HG22 ILE 15 HG22 ILE 15 2.490 5.384 -0.533 88 HG23 ILE 15 HG23 ILE 15 2.217 5.223 -2.269 89 HD11 ILE 15 HD11 ILE 15 2.962 4.909 -4.066 90 HD12 ILE 15 HD12 ILE 15 3.130 3.156 -3.999 91 HD13 ILE 15 HD13 ILE 15 4.193 4.107 -5.039 92 H CYS 16 H CYS 16 4.254 2.458 0.780 93 HA CYS 16 HA CYS 16 3.729 3.895 3.198 94 HB2 CYS 16 2HB CYS 16 1.808 2.404 1.590 95 HB3 CYS 16 1HB CYS 16 1.595 2.414 3.341 96 HN1 NH2 17 1H NH2 17 3.060 0.553 2.110 97 HN2 NH2 17 2H NH2 17 4.068 -0.161 3.306 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -5.806 5.625 -3.400 2 H2 GLY 1 H2 GLY 1 -4.862 7.025 -3.706 3 H3 GLY 1 H3 GLY 1 -4.541 6.051 -2.376 4 HA2 GLY 1 HA2 GLY 1 -4.283 5.147 -5.164 5 HA3 GLY 1 HA3 GLY 1 -2.953 5.686 -4.140 6 H CYS 2 H CYS 2 -2.042 3.528 -4.418 7 HA CYS 2 HA CYS 2 -3.414 1.263 -3.723 8 HB2 CYS 2 HB3 CYS 2 -0.736 2.016 -4.285 9 HB3 CYS 2 HB2 CYS 2 -0.871 0.543 -3.325 10 H CYS 3 H CYS 3 -1.598 3.409 -1.803 11 HA CYS 3 HA CYS 3 -1.554 1.648 0.395 12 HB2 CYS 3 HB3 CYS 3 -0.759 4.409 -0.044 13 HB3 CYS 3 HB2 CYS 3 -1.220 3.966 1.597 14 H SER 4 H SER 4 -3.823 3.805 -0.701 15 HA SER 4 HA SER 4 -5.440 3.871 1.651 16 HB2 SER 4 HB3 SER 4 -6.339 4.177 -1.224 17 HB3 SER 4 HB2 SER 4 -7.187 4.759 0.212 18 HG SER 4 HG SER 4 -4.841 5.741 0.450 19 H HIS 5 H HIS 5 -4.691 1.410 -0.527 20 HA HIS 5 HA HIS 5 -7.071 -0.162 0.116 21 HB2 HIS 5 HB3 HIS 5 -5.037 -0.321 -2.086 22 HB3 HIS 5 HB2 HIS 5 -6.172 -1.630 -1.779 23 HD1 HIS 5 HD1 HIS 5 -8.377 -1.444 -3.011 24 HD2 HIS 5 HD2 HIS 5 -6.352 2.181 -2.816 25 HE1 HIS 5 HE1 HIS 5 -9.679 0.160 -4.439 26 HA PRO 6 HA PRO 6 -4.341 -2.155 3.055 27 HB2 PRO 6 HB2 PRO 6 -5.845 -4.485 3.304 28 HB3 PRO 6 HB3 PRO 6 -6.074 -3.006 4.239 29 HG2 PRO 6 HG3 PRO 6 -7.541 -3.964 1.827 30 HG3 PRO 6 HG2 PRO 6 -8.160 -3.117 3.254 31 HD2 PRO 6 HD3 PRO 6 -7.782 -1.860 0.928 32 HD3 PRO 6 HD2 PRO 6 -7.470 -1.043 2.474 33 H ALA 7 H ALA 7 -5.461 -3.878 0.172 34 HA ALA 7 HA ALA 7 -3.510 -5.944 0.391 35 HB1 ALA 7 HB1 ALA 7 -5.616 -6.267 -0.833 36 HB2 ALA 7 HB2 ALA 7 -4.201 -6.640 -1.819 37 HB3 ALA 7 HB3 ALA 7 -5.064 -5.120 -2.057 38 H CYS 8 H CYS 8 -3.664 -2.960 -1.543 39 HA CYS 8 HA CYS 8 -1.168 -3.594 -2.902 40 HB2 CYS 8 HB3 CYS 8 -3.288 -2.283 -3.784 41 HB3 CYS 8 HB2 CYS 8 -2.487 -0.931 -2.995 42 H ASN 9 H ASN 9 -2.130 -2.055 -0.092 43 HA ASN 9 HA ASN 9 -0.239 -0.058 0.358 44 HB2 ASN 9 HB3 ASN 9 -2.268 -0.735 1.732 45 HB3 ASN 9 HB2 ASN 9 -1.253 -2.024 2.335 46 HD21 ASN 9 HD22 ASN 9 -1.880 1.314 2.436 47 HD22 ASN 9 HD21 ASN 9 -0.800 1.707 3.735 48 H VAL 10 H VAL 10 -0.204 -3.446 0.892 49 HA VAL 10 HA VAL 10 2.207 -3.727 2.318 50 HB VAL 10 HB VAL 10 0.884 -5.758 0.556 51 HG11 VAL 10 HG11 VAL 10 3.141 -6.412 1.183 52 HG12 VAL 10 HG12 VAL 10 1.956 -7.424 2.009 53 HG13 VAL 10 HG13 VAL 10 2.769 -6.126 2.885 54 HG21 VAL 10 HG21 VAL 10 0.442 -5.193 3.480 55 HG22 VAL 10 HG22 VAL 10 -0.247 -6.553 2.596 56 HG23 VAL 10 HG23 VAL 10 -0.707 -4.903 2.175 57 H ASP 11 H ASP 11 1.540 -3.848 -1.164 58 HA ASP 11 HA ASP 11 4.311 -4.491 -1.604 59 HB2 ASP 11 HB3 ASP 11 3.691 -4.680 -4.011 60 HB3 ASP 11 HB2 ASP 11 2.873 -5.808 -2.949 61 H HIS 12 H HIS 12 3.140 -1.724 -0.780 62 HA HIS 12 HA HIS 12 4.874 -0.323 -2.629 63 HB2 HIS 12 HB3 HIS 12 2.374 0.441 -1.300 64 HB3 HIS 12 HB2 HIS 12 3.569 1.698 -1.573 65 HD1 HIS 12 HD1 HIS 12 3.643 2.642 -4.016 66 HD2 HIS 12 HD2 HIS 12 1.368 -0.818 -3.605 67 HE1 HIS 12 HE1 HIS 12 2.517 2.294 -6.212 68 HA PRO 13 HA PRO 13 7.036 -0.339 1.510 69 HB2 PRO 13 HB2 PRO 13 9.394 -0.310 -0.274 70 HB3 PRO 13 HB3 PRO 13 9.054 -1.387 1.080 71 HG2 PRO 13 HG3 PRO 13 8.931 -2.282 -1.425 72 HG3 PRO 13 HG2 PRO 13 7.744 -2.811 -0.218 73 HD2 PRO 13 HD3 PRO 13 7.452 -0.742 -2.372 74 HD3 PRO 13 HD2 PRO 13 6.320 -2.019 -1.876 75 H GLU 14 H GLU 14 7.396 1.366 -1.389 76 HA GLU 14 HA GLU 14 9.007 3.490 -0.515 77 HB2 GLU 14 HB3 GLU 14 8.286 4.492 -2.638 78 HB3 GLU 14 HB2 GLU 14 8.979 2.885 -2.818 79 HG2 GLU 14 HG3 GLU 14 6.688 1.976 -3.014 80 HG3 GLU 14 HG2 GLU 14 6.066 3.618 -2.860 81 H ILE 15 H ILE 15 5.634 2.816 -0.201 82 HA ILE 15 HA ILE 15 5.147 5.644 0.475 83 HB ILE 15 HB ILE 15 2.980 3.631 -0.196 84 HG12 ILE 15 HG13 ILE 15 4.291 3.953 -2.237 85 HG13 ILE 15 HG12 ILE 15 2.733 4.732 -2.379 86 HG21 ILE 15 HG21 ILE 15 2.910 6.640 -0.033 87 HG22 ILE 15 HG22 ILE 15 2.267 5.521 1.170 88 HG23 ILE 15 HG23 ILE 15 1.547 5.597 -0.439 89 HD11 ILE 15 HD11 ILE 15 4.470 6.116 -3.340 90 HD12 ILE 15 HD12 ILE 15 5.336 6.125 -1.804 91 HD13 ILE 15 HD13 ILE 15 3.759 6.904 -1.930 92 H CYS 16 H CYS 16 4.315 2.349 1.323 93 HA CYS 16 HA CYS 16 3.897 3.213 4.065 94 HB2 CYS 16 2HB CYS 16 2.464 1.186 2.477 95 HB3 CYS 16 1HB CYS 16 2.180 1.464 4.194 96 HN1 NH2 17 1H NH2 17 3.926 -0.010 2.564 97 HN2 NH2 17 2H NH2 17 5.252 -0.604 3.490 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 -4.338 7.490 -4.029 2 H2 GLY 1 H2 GLY 1 -3.518 6.756 -2.758 3 H3 GLY 1 H3 GLY 1 -5.186 6.541 -2.912 4 HA2 GLY 1 HA2 GLY 1 -4.861 5.341 -4.954 5 HA3 GLY 1 HA3 GLY 1 -3.129 5.582 -4.785 6 H CYS 2 H CYS 2 -2.257 3.680 -4.284 7 HA CYS 2 HA CYS 2 -3.576 1.537 -3.244 8 HB2 CYS 2 HB3 CYS 2 -0.872 2.297 -3.748 9 HB3 CYS 2 HB2 CYS 2 -1.148 0.791 -2.874 10 H CYS 3 H CYS 3 -2.188 4.072 -1.520 11 HA CYS 3 HA CYS 3 -1.470 2.623 0.742 12 HB2 CYS 3 HB3 CYS 3 -2.079 5.485 0.278 13 HB3 CYS 3 HB2 CYS 3 -1.673 4.868 1.862 14 H SER 4 H SER 4 -4.376 4.036 -0.179 15 HA SER 4 HA SER 4 -5.699 3.355 2.330 16 HB2 SER 4 HB3 SER 4 -7.778 4.140 1.118 17 HB3 SER 4 HB2 SER 4 -6.502 5.350 1.281 18 HG SER 4 HG SER 4 -5.984 5.090 -0.815 19 H HIS 5 H HIS 5 -4.528 1.405 0.245 20 HA HIS 5 HA HIS 5 -6.797 -0.445 0.086 21 HB2 HIS 5 HB3 HIS 5 -4.632 0.221 -1.852 22 HB3 HIS 5 HB2 HIS 5 -5.482 -1.319 -1.975 23 HD1 HIS 5 HD1 HIS 5 -7.602 -1.252 -3.368 24 HD2 HIS 5 HD2 HIS 5 -6.383 2.522 -2.140 25 HE1 HIS 5 HE1 HIS 5 -9.175 0.368 -4.460 26 HA PRO 6 HA PRO 6 -3.905 -2.335 3.036 27 HB2 PRO 6 HB2 PRO 6 -5.883 -4.520 2.527 28 HB3 PRO 6 HB3 PRO 6 -5.171 -3.991 4.058 29 HG2 PRO 6 HG3 PRO 6 -7.608 -3.208 3.478 30 HG3 PRO 6 HG2 PRO 6 -6.449 -2.034 4.118 31 HD2 PRO 6 HD3 PRO 6 -7.391 -2.403 1.304 32 HD3 PRO 6 HD2 PRO 6 -7.063 -0.903 2.196 33 H ALA 7 H ALA 7 -5.125 -4.137 0.226 34 HA ALA 7 HA ALA 7 -3.029 -6.040 0.311 35 HB1 ALA 7 HB1 ALA 7 -5.192 -6.527 -0.740 36 HB2 ALA 7 HB2 ALA 7 -3.849 -6.801 -1.849 37 HB3 ALA 7 HB3 ALA 7 -4.836 -5.349 -2.003 38 H CYS 8 H CYS 8 -3.489 -3.039 -1.463 39 HA CYS 8 HA CYS 8 -1.084 -3.481 -3.043 40 HB2 CYS 8 HB3 CYS 8 -3.240 -2.267 -3.838 41 HB3 CYS 8 HB2 CYS 8 -2.648 -0.915 -2.890 42 H ASN 9 H ASN 9 -1.921 -2.105 -0.080 43 HA ASN 9 HA ASN 9 0.043 -0.110 0.258 44 HB2 ASN 9 HB3 ASN 9 -2.022 -0.726 1.700 45 HB3 ASN 9 HB2 ASN 9 -0.953 -1.935 2.374 46 HD21 ASN 9 HD22 ASN 9 -1.816 1.337 2.390 47 HD22 ASN 9 HD21 ASN 9 -0.706 1.887 3.576 48 H VAL 10 H VAL 10 -0.100 -3.500 0.773 49 HA VAL 10 HA VAL 10 2.247 -3.970 2.209 50 HB VAL 10 HB VAL 10 0.808 -5.821 0.335 51 HG11 VAL 10 HG11 VAL 10 3.077 -6.643 0.778 52 HG12 VAL 10 HG12 VAL 10 1.884 -7.664 1.579 53 HG13 VAL 10 HG13 VAL 10 2.803 -6.486 2.513 54 HG21 VAL 10 HG21 VAL 10 -0.613 -5.018 2.124 55 HG22 VAL 10 HG22 VAL 10 0.596 -5.486 3.320 56 HG23 VAL 10 HG23 VAL 10 -0.229 -6.722 2.368 57 H ASP 11 H ASP 11 1.741 -4.015 -1.343 58 HA ASP 11 HA ASP 11 4.504 -4.783 -1.624 59 HB2 ASP 11 HB3 ASP 11 4.107 -5.131 -4.000 60 HB3 ASP 11 HB2 ASP 11 2.916 -5.978 -3.034 61 H HIS 12 H HIS 12 3.153 -1.918 -1.189 62 HA HIS 12 HA HIS 12 5.300 -0.630 -2.676 63 HB2 HIS 12 HB3 HIS 12 2.697 0.382 -1.670 64 HB3 HIS 12 HB2 HIS 12 4.035 1.406 -2.141 65 HD1 HIS 12 HD1 HIS 12 4.670 1.253 -4.805 66 HD2 HIS 12 HD2 HIS 12 1.050 -0.405 -3.641 67 HE1 HIS 12 HE1 HIS 12 3.280 1.129 -6.890 68 HA PRO 13 HA PRO 13 6.133 -0.751 1.924 69 HB2 PRO 13 HB2 PRO 13 8.937 -1.074 1.076 70 HB3 PRO 13 HB3 PRO 13 7.981 -2.072 2.180 71 HG2 PRO 13 HG3 PRO 13 8.626 -2.970 -0.241 72 HG3 PRO 13 HG2 PRO 13 7.028 -3.295 0.456 73 HD2 PRO 13 HD3 PRO 13 7.809 -1.194 -1.543 74 HD3 PRO 13 HD2 PRO 13 6.435 -2.323 -1.577 75 H GLU 14 H GLU 14 7.645 1.107 -0.545 76 HA GLU 14 HA GLU 14 8.657 2.957 1.403 77 HB2 GLU 14 HB3 GLU 14 9.769 3.977 -0.434 78 HB3 GLU 14 HB2 GLU 14 10.193 2.275 -0.356 79 HG2 GLU 14 HG3 GLU 14 8.257 3.555 -2.301 80 HG3 GLU 14 HG2 GLU 14 9.927 3.146 -2.664 81 H ILE 15 H ILE 15 6.000 2.527 -0.732 82 HA ILE 15 HA ILE 15 5.501 5.413 -0.901 83 HB ILE 15 HB ILE 15 3.727 3.190 -1.966 84 HG12 ILE 15 HG13 ILE 15 5.943 3.035 -3.042 85 HG13 ILE 15 HG12 ILE 15 4.720 3.575 -4.182 86 HG21 ILE 15 HG21 ILE 15 2.773 4.888 -3.413 87 HG22 ILE 15 HG22 ILE 15 3.797 6.105 -2.656 88 HG23 ILE 15 HG23 ILE 15 2.565 5.276 -1.704 89 HD11 ILE 15 HD11 ILE 15 6.799 4.784 -4.476 90 HD12 ILE 15 HD12 ILE 15 6.745 5.317 -2.794 91 HD13 ILE 15 HD13 ILE 15 5.518 5.872 -3.935 92 H CYS 16 H CYS 16 4.115 2.505 0.373 93 HA CYS 16 HA CYS 16 2.370 4.097 2.062 94 HB2 CYS 16 2HB CYS 16 2.047 1.368 0.987 95 HB3 CYS 16 1HB CYS 16 0.872 2.168 2.028 96 HN1 NH2 17 1H NH2 17 3.340 0.670 2.146 97 HN2 NH2 17 2H NH2 17 4.039 0.738 3.718 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 -6.479 5.349 -4.267 2 H2 GLY 1 H2 GLY 1 -5.840 6.924 -4.369 3 H3 GLY 1 H3 GLY 1 -5.902 6.117 -2.899 4 HA2 GLY 1 HA2 GLY 1 -4.268 5.220 -5.166 5 HA3 GLY 1 HA3 GLY 1 -3.679 6.186 -3.819 6 H CYS 2 H CYS 2 -2.493 3.773 -4.268 7 HA CYS 2 HA CYS 2 -3.788 1.650 -3.126 8 HB2 CYS 2 HB3 CYS 2 -1.156 2.266 -4.005 9 HB3 CYS 2 HB2 CYS 2 -1.327 0.821 -3.009 10 H CYS 3 H CYS 3 -2.147 4.169 -1.667 11 HA CYS 3 HA CYS 3 -1.249 2.901 0.608 12 HB2 CYS 3 HB3 CYS 3 -2.079 5.679 0.040 13 HB3 CYS 3 HB2 CYS 3 -1.606 5.199 1.651 14 H SER 4 H SER 4 -4.332 4.035 -0.166 15 HA SER 4 HA SER 4 -5.378 3.205 2.441 16 HB2 SER 4 HB3 SER 4 -7.557 4.180 1.431 17 HB3 SER 4 HB2 SER 4 -6.265 5.304 1.859 18 HG SER 4 HG SER 4 -7.128 4.462 -0.687 19 H HIS 5 H HIS 5 -4.394 1.512 0.165 20 HA HIS 5 HA HIS 5 -6.705 -0.293 -0.126 21 HB2 HIS 5 HB3 HIS 5 -4.389 0.321 -1.891 22 HB3 HIS 5 HB2 HIS 5 -5.382 -1.095 -2.201 23 HD1 HIS 5 HD1 HIS 5 -5.233 0.778 -4.551 24 HD2 HIS 5 HD2 HIS 5 -7.985 1.347 -1.470 25 HE1 HIS 5 HE1 HIS 5 -7.014 2.243 -5.482 26 HA PRO 6 HA PRO 6 -3.625 -2.131 2.789 27 HB2 PRO 6 HB2 PRO 6 -5.711 -4.262 2.706 28 HB3 PRO 6 HB3 PRO 6 -4.880 -3.567 4.100 29 HG2 PRO 6 HG3 PRO 6 -7.369 -2.840 3.563 30 HG3 PRO 6 HG2 PRO 6 -6.179 -1.629 4.073 31 HD2 PRO 6 HD3 PRO 6 -7.273 -2.174 1.347 32 HD3 PRO 6 HD2 PRO 6 -6.851 -0.627 2.108 33 H ALA 7 H ALA 7 -5.279 -4.159 0.375 34 HA ALA 7 HA ALA 7 -3.197 -6.103 0.346 35 HB1 ALA 7 HB1 ALA 7 -5.527 -6.687 -0.184 36 HB2 ALA 7 HB2 ALA 7 -4.413 -7.156 -1.467 37 HB3 ALA 7 HB3 ALA 7 -5.422 -5.726 -1.660 38 H CYS 8 H CYS 8 -3.624 -3.124 -1.255 39 HA CYS 8 HA CYS 8 -1.730 -3.826 -3.398 40 HB2 CYS 8 HB3 CYS 8 -3.772 -2.244 -3.661 41 HB3 CYS 8 HB2 CYS 8 -2.778 -1.149 -2.687 42 H ASN 9 H ASN 9 -1.861 -2.433 -0.305 43 HA ASN 9 HA ASN 9 0.254 -0.496 -0.706 44 HB2 ASN 9 HB3 ASN 9 -1.918 -0.466 0.757 45 HB3 ASN 9 HB2 ASN 9 -0.908 -1.368 1.829 46 HD21 ASN 9 HD22 ASN 9 -1.290 0.284 3.177 47 HD22 ASN 9 HD21 ASN 9 -0.237 1.671 3.217 48 H VAL 10 H VAL 10 -0.241 -3.569 0.715 49 HA VAL 10 HA VAL 10 2.039 -3.804 2.283 50 HB VAL 10 HB VAL 10 0.264 -5.479 2.382 51 HG11 VAL 10 HG11 VAL 10 1.199 -6.399 -0.321 52 HG12 VAL 10 HG12 VAL 10 -0.342 -5.623 0.053 53 HG13 VAL 10 HG13 VAL 10 0.016 -7.228 0.693 54 HG21 VAL 10 HG21 VAL 10 2.897 -6.722 1.604 55 HG22 VAL 10 HG22 VAL 10 1.615 -7.528 2.506 56 HG23 VAL 10 HG23 VAL 10 2.460 -6.143 3.207 57 H ASP 11 H ASP 11 1.784 -4.038 -1.210 58 HA ASP 11 HA ASP 11 4.591 -4.798 -1.319 59 HB2 ASP 11 HB3 ASP 11 4.306 -5.266 -3.709 60 HB3 ASP 11 HB2 ASP 11 3.131 -6.150 -2.755 61 H HIS 12 H HIS 12 3.225 -2.014 -0.788 62 HA HIS 12 HA HIS 12 5.026 -0.568 -2.548 63 HB2 HIS 12 HB3 HIS 12 2.425 0.082 -1.294 64 HB3 HIS 12 HB2 HIS 12 3.523 1.368 -1.743 65 HD1 HIS 12 HD1 HIS 12 1.063 -1.067 -3.171 66 HD2 HIS 12 HD2 HIS 12 3.858 1.660 -4.520 67 HE1 HIS 12 HE1 HIS 12 0.518 -0.653 -5.581 68 HA PRO 13 HA PRO 13 6.407 -0.510 1.926 69 HB2 PRO 13 HB2 PRO 13 9.116 -0.965 0.959 70 HB3 PRO 13 HB3 PRO 13 8.152 -1.966 2.046 71 HG2 PRO 13 HG3 PRO 13 8.751 -2.739 -0.473 72 HG3 PRO 13 HG2 PRO 13 7.223 -3.174 0.312 73 HD2 PRO 13 HD3 PRO 13 7.776 -0.970 -1.647 74 HD3 PRO 13 HD2 PRO 13 6.433 -2.139 -1.624 75 H GLU 14 H GLU 14 7.895 1.057 -0.771 76 HA GLU 14 HA GLU 14 9.021 3.001 1.007 77 HB2 GLU 14 HB3 GLU 14 9.939 3.939 -1.069 78 HB3 GLU 14 HB2 GLU 14 10.581 2.357 -0.643 79 HG2 GLU 14 HG3 GLU 14 9.143 1.384 -2.363 80 HG3 GLU 14 HG2 GLU 14 8.500 2.987 -2.737 81 H ILE 15 H ILE 15 6.071 2.572 -0.128 82 HA ILE 15 HA ILE 15 5.662 5.425 -0.673 83 HB ILE 15 HB ILE 15 3.648 3.206 -1.111 84 HG12 ILE 15 HG13 ILE 15 5.546 2.857 -2.640 85 HG13 ILE 15 HG12 ILE 15 4.117 3.394 -3.515 86 HG21 ILE 15 HG21 ILE 15 3.702 6.064 -2.076 87 HG22 ILE 15 HG22 ILE 15 2.679 5.420 -0.794 88 HG23 ILE 15 HG23 ILE 15 2.456 4.872 -2.457 89 HD11 ILE 15 HD11 ILE 15 6.489 5.094 -2.776 90 HD12 ILE 15 HD12 ILE 15 5.048 5.649 -3.634 91 HD13 ILE 15 HD13 ILE 15 6.109 4.448 -4.374 92 H CYS 16 H CYS 16 3.872 2.821 0.880 93 HA CYS 16 HA CYS 16 3.583 4.547 3.172 94 HB2 CYS 16 2HB CYS 16 1.479 3.186 1.641 95 HB3 CYS 16 1HB CYS 16 1.221 3.640 3.328 96 HN1 NH2 17 1H NH2 17 5.059 3.317 4.267 97 HN2 NH2 17 2H NH2 17 4.738 1.694 4.779 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 -4.966 6.051 -2.568 2 H2 GLY 1 H2 GLY 1 -6.056 5.401 -3.664 3 H3 GLY 1 H3 GLY 1 -5.259 6.841 -4.039 4 HA2 GLY 1 HA2 GLY 1 -4.341 4.960 -5.242 5 HA3 GLY 1 HA3 GLY 1 -3.159 5.641 -4.127 6 H CYS 2 H CYS 2 -2.125 3.505 -4.184 7 HA CYS 2 HA CYS 2 -3.538 1.260 -3.413 8 HB2 CYS 2 HB3 CYS 2 -0.825 1.983 -3.944 9 HB3 CYS 2 HB2 CYS 2 -1.065 0.465 -3.072 10 H CYS 3 H CYS 3 -1.999 3.675 -1.623 11 HA CYS 3 HA CYS 3 -1.748 2.153 0.756 12 HB2 CYS 3 HB3 CYS 3 -1.686 5.049 0.135 13 HB3 CYS 3 HB2 CYS 3 -1.627 4.447 1.771 14 H SER 4 H SER 4 -4.127 4.031 -0.666 15 HA SER 4 HA SER 4 -6.021 4.190 1.469 16 HB2 SER 4 HB3 SER 4 -6.690 4.104 -1.478 17 HB3 SER 4 HB2 SER 4 -7.552 4.963 -0.203 18 HG SER 4 HG SER 4 -6.056 6.507 -0.190 19 H HIS 5 H HIS 5 -4.780 1.552 0.009 20 HA HIS 5 HA HIS 5 -7.120 -0.162 0.408 21 HB2 HIS 5 HB3 HIS 5 -4.907 -0.342 -1.637 22 HB3 HIS 5 HB2 HIS 5 -6.013 -1.658 -1.278 23 HD1 HIS 5 HD1 HIS 5 -7.967 -1.790 -2.858 24 HD2 HIS 5 HD2 HIS 5 -6.352 2.033 -2.669 25 HE1 HIS 5 HE1 HIS 5 -9.162 -0.465 -4.606 26 HA PRO 6 HA PRO 6 -4.140 -2.135 3.114 27 HB2 PRO 6 HB2 PRO 6 -5.352 -4.531 3.482 28 HB3 PRO 6 HB3 PRO 6 -5.927 -3.047 4.248 29 HG2 PRO 6 HG3 PRO 6 -6.969 -4.455 1.827 30 HG3 PRO 6 HG2 PRO 6 -7.867 -3.663 3.133 31 HD2 PRO 6 HD3 PRO 6 -7.422 -2.509 0.690 32 HD3 PRO 6 HD2 PRO 6 -7.649 -1.593 2.188 33 H ALA 7 H ALA 7 -5.323 -4.015 0.330 34 HA ALA 7 HA ALA 7 -3.187 -5.905 0.504 35 HB1 ALA 7 HB1 ALA 7 -4.062 -6.902 -1.492 36 HB2 ALA 7 HB2 ALA 7 -5.064 -5.488 -1.806 37 HB3 ALA 7 HB3 ALA 7 -5.388 -6.503 -0.402 38 H CYS 8 H CYS 8 -3.690 -3.092 -1.540 39 HA CYS 8 HA CYS 8 -1.223 -3.664 -2.966 40 HB2 CYS 8 HB3 CYS 8 -3.327 -2.602 -4.006 41 HB3 CYS 8 HB2 CYS 8 -2.872 -1.137 -3.148 42 H ASN 9 H ASN 9 -1.764 -2.641 -0.010 43 HA ASN 9 HA ASN 9 -0.202 -0.224 0.146 44 HB2 ASN 9 HB3 ASN 9 -2.085 -1.112 1.698 45 HB3 ASN 9 HB2 ASN 9 -0.790 -2.076 2.376 46 HD21 ASN 9 HD22 ASN 9 -2.236 0.931 2.233 47 HD22 ASN 9 HD21 ASN 9 -1.249 1.782 3.356 48 H VAL 10 H VAL 10 0.159 -3.596 0.743 49 HA VAL 10 HA VAL 10 2.681 -3.445 2.039 50 HB VAL 10 HB VAL 10 1.102 -5.270 2.488 51 HG11 VAL 10 HG11 VAL 10 0.218 -5.692 0.294 52 HG12 VAL 10 HG12 VAL 10 0.896 -7.180 0.958 53 HG13 VAL 10 HG13 VAL 10 1.787 -6.271 -0.261 54 HG21 VAL 10 HG21 VAL 10 2.720 -7.124 2.556 55 HG22 VAL 10 HG22 VAL 10 3.429 -5.598 3.083 56 HG23 VAL 10 HG23 VAL 10 3.778 -6.222 1.471 57 H ASP 11 H ASP 11 1.804 -3.853 -1.349 58 HA ASP 11 HA ASP 11 4.558 -4.516 -1.858 59 HB2 ASP 11 HB3 ASP 11 3.993 -4.824 -4.237 60 HB3 ASP 11 HB2 ASP 11 3.012 -5.811 -3.172 61 H HIS 12 H HIS 12 3.166 -1.742 -1.222 62 HA HIS 12 HA HIS 12 5.129 -0.319 -2.810 63 HB2 HIS 12 HB3 HIS 12 2.494 0.440 -1.689 64 HB3 HIS 12 HB2 HIS 12 3.673 1.663 -2.123 65 HD1 HIS 12 HD1 HIS 12 4.082 1.948 -4.767 66 HD2 HIS 12 HD2 HIS 12 1.084 -0.726 -3.713 67 HE1 HIS 12 HE1 HIS 12 2.766 1.537 -6.859 68 HA PRO 13 HA PRO 13 6.215 -0.483 1.750 69 HB2 PRO 13 HB2 PRO 13 8.968 -0.924 0.912 70 HB3 PRO 13 HB3 PRO 13 7.939 -1.973 1.882 71 HG2 PRO 13 HG3 PRO 13 8.689 -2.621 -0.640 72 HG3 PRO 13 HG2 PRO 13 7.126 -3.105 0.038 73 HD2 PRO 13 HD3 PRO 13 7.764 -0.831 -1.812 74 HD3 PRO 13 HD2 PRO 13 6.415 -1.988 -1.873 75 H GLU 14 H GLU 14 7.837 1.032 -0.836 76 HA GLU 14 HA GLU 14 9.221 2.937 0.715 77 HB2 GLU 14 HB3 GLU 14 9.747 3.886 -1.471 78 HB3 GLU 14 HB2 GLU 14 10.147 2.180 -1.338 79 HG2 GLU 14 HG3 GLU 14 7.994 1.710 -2.547 80 HG3 GLU 14 HG2 GLU 14 7.856 3.447 -2.818 81 H ILE 15 H ILE 15 6.043 2.637 -0.232 82 HA ILE 15 HA ILE 15 5.590 5.534 -0.104 83 HB ILE 15 HB ILE 15 3.577 3.404 -0.913 84 HG12 ILE 15 HG13 ILE 15 5.412 3.460 -2.562 85 HG13 ILE 15 HG12 ILE 15 3.925 4.094 -3.249 86 HG21 ILE 15 HG21 ILE 15 3.538 6.409 -1.222 87 HG22 ILE 15 HG22 ILE 15 2.579 5.465 -0.082 88 HG23 ILE 15 HG23 ILE 15 2.298 5.302 -1.816 89 HD11 ILE 15 HD11 ILE 15 4.772 6.376 -2.915 90 HD12 ILE 15 HD12 ILE 15 5.828 5.413 -3.948 91 HD13 ILE 15 HD13 ILE 15 6.272 5.709 -2.268 92 H CYS 16 H CYS 16 4.161 2.510 0.970 93 HA CYS 16 HA CYS 16 3.758 3.683 3.583 94 HB2 CYS 16 2HB CYS 16 1.893 2.081 1.963 95 HB3 CYS 16 1HB CYS 16 1.638 2.360 3.683 96 HN1 NH2 17 1H NH2 17 2.912 0.432 2.374 97 HN2 NH2 17 2H NH2 17 4.062 -0.386 3.356 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 -6.215 5.079 -3.816 2 H2 GLY 1 H2 GLY 1 -5.607 6.659 -3.784 3 H3 GLY 1 H3 GLY 1 -5.505 5.671 -2.413 4 HA2 GLY 1 HA2 GLY 1 -4.148 5.103 -4.981 5 HA3 GLY 1 HA3 GLY 1 -3.373 5.779 -3.555 6 H CYS 2 H CYS 2 -2.190 3.555 -4.229 7 HA CYS 2 HA CYS 2 -3.434 1.221 -3.469 8 HB2 CYS 2 HB3 CYS 2 -0.825 2.083 -4.181 9 HB3 CYS 2 HB2 CYS 2 -0.841 0.607 -3.208 10 H CYS 3 H CYS 3 -1.897 3.603 -1.642 11 HA CYS 3 HA CYS 3 -1.589 1.899 0.584 12 HB2 CYS 3 HB3 CYS 3 -1.332 4.790 0.115 13 HB3 CYS 3 HB2 CYS 3 -1.445 4.191 1.761 14 H SER 4 H SER 4 -4.008 3.924 -0.558 15 HA SER 4 HA SER 4 -5.749 3.927 1.677 16 HB2 SER 4 HB3 SER 4 -6.653 3.853 -1.193 17 HB3 SER 4 HB2 SER 4 -7.388 4.719 0.159 18 HG SER 4 HG SER 4 -5.545 6.049 0.209 19 H HIS 5 H HIS 5 -4.952 1.679 -0.803 20 HA HIS 5 HA HIS 5 -7.124 -0.165 -0.283 21 HB2 HIS 5 HB3 HIS 5 -4.793 -0.179 -2.172 22 HB3 HIS 5 HB2 HIS 5 -5.994 -1.462 -2.149 23 HD1 HIS 5 HD1 HIS 5 -5.321 0.663 -4.581 24 HD2 HIS 5 HD2 HIS 5 -8.621 0.627 -2.041 25 HE1 HIS 5 HE1 HIS 5 -7.121 1.892 -5.785 26 HA PRO 6 HA PRO 6 -4.517 -1.992 2.993 27 HB2 PRO 6 HB2 PRO 6 -6.051 -4.348 3.062 28 HB3 PRO 6 HB3 PRO 6 -6.238 -2.945 4.111 29 HG2 PRO 6 HG3 PRO 6 -7.751 -3.710 1.674 30 HG3 PRO 6 HG2 PRO 6 -8.305 -2.836 3.112 31 HD2 PRO 6 HD3 PRO 6 -7.866 -1.618 0.779 32 HD3 PRO 6 HD2 PRO 6 -7.513 -0.806 2.318 33 H ALA 7 H ALA 7 -5.570 -3.900 0.187 34 HA ALA 7 HA ALA 7 -3.591 -5.907 0.581 35 HB1 ALA 7 HB1 ALA 7 -4.349 -6.854 -1.509 36 HB2 ALA 7 HB2 ALA 7 -5.221 -5.375 -1.895 37 HB3 ALA 7 HB3 ALA 7 -5.739 -6.369 -0.535 38 H CYS 8 H CYS 8 -3.759 -3.049 -1.455 39 HA CYS 8 HA CYS 8 -1.372 -3.804 -2.940 40 HB2 CYS 8 HB3 CYS 8 -3.386 -2.465 -3.861 41 HB3 CYS 8 HB2 CYS 8 -2.705 -1.116 -2.951 42 H ASN 9 H ASN 9 -2.177 -2.090 -0.148 43 HA ASN 9 HA ASN 9 -0.318 -0.087 0.220 44 HB2 ASN 9 HB3 ASN 9 -2.266 -0.816 1.667 45 HB3 ASN 9 HB2 ASN 9 -1.170 -2.037 2.283 46 HD21 ASN 9 HD22 ASN 9 -2.054 1.234 2.390 47 HD22 ASN 9 HD21 ASN 9 -0.942 1.726 3.617 48 H VAL 10 H VAL 10 -0.101 -3.452 0.887 49 HA VAL 10 HA VAL 10 2.316 -3.495 2.308 50 HB VAL 10 HB VAL 10 1.126 -5.757 0.742 51 HG11 VAL 10 HG11 VAL 10 2.946 -5.795 3.142 52 HG12 VAL 10 HG12 VAL 10 3.389 -6.229 1.492 53 HG13 VAL 10 HG13 VAL 10 2.229 -7.216 2.381 54 HG21 VAL 10 HG21 VAL 10 0.554 -4.906 3.569 55 HG22 VAL 10 HG22 VAL 10 -0.036 -6.386 2.812 56 HG23 VAL 10 HG23 VAL 10 -0.558 -4.814 2.203 57 H ASP 11 H ASP 11 1.710 -3.816 -1.191 58 HA ASP 11 HA ASP 11 4.529 -4.411 -1.486 59 HB2 ASP 11 HB3 ASP 11 4.155 -4.903 -3.868 60 HB3 ASP 11 HB2 ASP 11 3.144 -5.878 -2.827 61 H HIS 12 H HIS 12 3.214 -1.675 -0.920 62 HA HIS 12 HA HIS 12 4.979 -0.306 -2.757 63 HB2 HIS 12 HB3 HIS 12 2.506 0.489 -1.338 64 HB3 HIS 12 HB2 HIS 12 3.651 1.718 -1.839 65 HD1 HIS 12 HD1 HIS 12 3.257 2.586 -4.205 66 HD2 HIS 12 HD2 HIS 12 1.582 -1.167 -3.592 67 HE1 HIS 12 HE1 HIS 12 2.019 2.039 -6.304 68 HA PRO 13 HA PRO 13 6.925 -0.538 1.437 69 HB2 PRO 13 HB2 PRO 13 9.472 -0.635 0.054 70 HB3 PRO 13 HB3 PRO 13 8.730 -1.871 1.068 71 HG2 PRO 13 HG3 PRO 13 9.041 -2.153 -1.613 72 HG3 PRO 13 HG2 PRO 13 7.722 -2.907 -0.713 73 HD2 PRO 13 HD3 PRO 13 7.712 -0.418 -2.353 74 HD3 PRO 13 HD2 PRO 13 6.494 -1.717 -2.277 75 H GLU 14 H GLU 14 7.741 1.422 -1.235 76 HA GLU 14 HA GLU 14 9.330 3.246 0.281 77 HB2 GLU 14 HB3 GLU 14 9.347 4.487 -1.834 78 HB3 GLU 14 HB2 GLU 14 10.001 2.855 -1.962 79 HG2 GLU 14 HG3 GLU 14 7.962 2.116 -3.018 80 HG3 GLU 14 HG2 GLU 14 7.219 3.696 -2.753 81 H ILE 15 H ILE 15 6.032 2.781 -0.212 82 HA ILE 15 HA ILE 15 5.498 5.643 0.220 83 HB ILE 15 HB ILE 15 3.435 3.584 -0.621 84 HG12 ILE 15 HG13 ILE 15 5.134 3.739 -2.403 85 HG13 ILE 15 HG12 ILE 15 3.608 4.433 -2.918 86 HG21 ILE 15 HG21 ILE 15 2.124 5.557 -1.283 87 HG22 ILE 15 HG22 ILE 15 3.421 6.609 -0.715 88 HG23 ILE 15 HG23 ILE 15 2.542 5.597 0.431 89 HD11 ILE 15 HD11 ILE 15 6.039 5.972 -2.017 90 HD12 ILE 15 HD12 ILE 15 4.505 6.677 -2.529 91 HD13 ILE 15 HD13 ILE 15 5.487 5.766 -3.680 92 H CYS 16 H CYS 16 4.400 2.441 1.120 93 HA CYS 16 HA CYS 16 3.863 3.436 3.781 94 HB2 CYS 16 2HB CYS 16 2.249 1.672 2.067 95 HB3 CYS 16 1HB CYS 16 1.943 1.809 3.797 96 HN1 NH2 17 1H NH2 17 3.525 0.165 2.422 97 HN2 NH2 17 2H NH2 17 4.748 -0.543 3.409 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 -5.626 7.192 -4.230 2 H2 GLY 1 H2 GLY 1 -6.189 6.163 -3.020 3 H3 GLY 1 H3 GLY 1 -5.733 5.530 -4.524 4 HA2 GLY 1 HA2 GLY 1 -3.464 6.175 -4.128 5 HA3 GLY 1 HA3 GLY 1 -3.936 6.803 -2.556 6 H CYS 2 H CYS 2 -2.097 4.565 -3.386 7 HA CYS 2 HA CYS 2 -3.336 2.166 -2.882 8 HB2 CYS 2 HB3 CYS 2 -0.683 3.145 -3.167 9 HB3 CYS 2 HB2 CYS 2 -0.842 1.533 -2.473 10 H CYS 3 H CYS 3 -2.221 4.493 -0.744 11 HA CYS 3 HA CYS 3 -1.685 2.792 1.394 12 HB2 CYS 3 HB3 CYS 3 -2.457 5.652 1.220 13 HB3 CYS 3 HB2 CYS 3 -2.282 4.862 2.765 14 H SER 4 H SER 4 -4.523 4.181 0.222 15 HA SER 4 HA SER 4 -6.255 3.113 2.312 16 HB2 SER 4 HB3 SER 4 -7.001 4.356 -0.353 17 HB3 SER 4 HB2 SER 4 -8.071 4.094 1.026 18 HG SER 4 HG SER 4 -5.952 5.409 1.867 19 H HIS 5 H HIS 5 -4.561 1.494 0.287 20 HA HIS 5 HA HIS 5 -6.599 -0.457 -0.529 21 HB2 HIS 5 HB3 HIS 5 -4.355 0.770 -2.005 22 HB3 HIS 5 HB2 HIS 5 -4.819 -0.859 -2.451 23 HD1 HIS 5 HD1 HIS 5 -6.864 -1.066 -4.008 24 HD2 HIS 5 HD2 HIS 5 -6.336 2.765 -2.497 25 HE1 HIS 5 HE1 HIS 5 -8.478 0.394 -5.265 26 HA PRO 6 HA PRO 6 -3.686 -2.433 2.469 27 HB2 PRO 6 HB2 PRO 6 -5.581 -4.651 1.833 28 HB3 PRO 6 HB3 PRO 6 -4.933 -4.135 3.396 29 HG2 PRO 6 HG3 PRO 6 -7.404 -3.480 2.721 30 HG3 PRO 6 HG2 PRO 6 -6.354 -2.308 3.538 31 HD2 PRO 6 HD3 PRO 6 -7.166 -2.444 0.668 32 HD3 PRO 6 HD2 PRO 6 -6.895 -1.026 1.698 33 H ALA 7 H ALA 7 -4.932 -4.206 -0.356 34 HA ALA 7 HA ALA 7 -2.742 -5.977 -0.501 35 HB1 ALA 7 HB1 ALA 7 -3.582 -6.651 -2.663 36 HB2 ALA 7 HB2 ALA 7 -4.597 -5.216 -2.750 37 HB3 ALA 7 HB3 ALA 7 -4.928 -6.457 -1.540 38 H CYS 8 H CYS 8 -3.236 -2.801 -1.864 39 HA CYS 8 HA CYS 8 -0.867 -3.040 -3.547 40 HB2 CYS 8 HB3 CYS 8 -2.874 -1.584 -4.184 41 HB3 CYS 8 HB2 CYS 8 -2.387 -0.516 -2.869 42 H ASN 9 H ASN 9 -1.657 -2.170 -0.394 43 HA ASN 9 HA ASN 9 0.449 -0.276 0.001 44 HB2 ASN 9 HB3 ASN 9 -1.848 -0.335 1.120 45 HB3 ASN 9 HB2 ASN 9 -1.212 -1.692 2.002 46 HD21 ASN 9 HD22 ASN 9 -2.155 0.958 2.807 47 HD22 ASN 9 HD21 ASN 9 -0.913 1.604 3.817 48 H VAL 10 H VAL 10 -0.331 -3.482 1.038 49 HA VAL 10 HA VAL 10 1.741 -3.910 2.800 50 HB VAL 10 HB VAL 10 -0.210 -5.362 2.725 51 HG11 VAL 10 HG11 VAL 10 -0.541 -5.570 0.355 52 HG12 VAL 10 HG12 VAL 10 -0.423 -7.167 1.098 53 HG13 VAL 10 HG13 VAL 10 0.948 -6.504 0.204 54 HG21 VAL 10 HG21 VAL 10 0.889 -7.519 3.112 55 HG22 VAL 10 HG22 VAL 10 1.770 -6.191 3.867 56 HG23 VAL 10 HG23 VAL 10 2.360 -6.895 2.362 57 H ASP 11 H ASP 11 1.898 -4.432 -0.726 58 HA ASP 11 HA ASP 11 4.640 -5.286 -0.222 59 HB2 ASP 11 HB3 ASP 11 4.784 -6.337 -2.339 60 HB3 ASP 11 HB2 ASP 11 3.194 -6.747 -1.727 61 H HIS 12 H HIS 12 3.277 -2.432 -0.553 62 HA HIS 12 HA HIS 12 5.521 -1.410 -2.085 63 HB2 HIS 12 HB3 HIS 12 2.748 -0.488 -1.813 64 HB3 HIS 12 HB2 HIS 12 4.023 0.644 -2.200 65 HD1 HIS 12 HD1 HIS 12 5.520 -1.138 -4.342 66 HD2 HIS 12 HD2 HIS 12 1.415 -0.646 -4.050 67 HE1 HIS 12 HE1 HIS 12 4.634 -1.542 -6.642 68 HA PRO 13 HA PRO 13 5.923 0.234 2.227 69 HB2 PRO 13 HB2 PRO 13 8.777 -0.381 1.862 70 HB3 PRO 13 HB3 PRO 13 7.701 -0.898 3.167 71 HG2 PRO 13 HG3 PRO 13 8.603 -2.641 1.344 72 HG3 PRO 13 HG2 PRO 13 6.955 -2.750 1.983 73 HD2 PRO 13 HD3 PRO 13 7.887 -1.548 -0.607 74 HD3 PRO 13 HD2 PRO 13 6.533 -2.665 -0.312 75 H GLU 14 H GLU 14 7.482 0.657 -0.752 76 HA GLU 14 HA GLU 14 8.877 3.062 -0.256 77 HB2 GLU 14 HB3 GLU 14 9.167 3.079 -2.641 78 HB3 GLU 14 HB2 GLU 14 9.498 1.470 -2.021 79 HG2 GLU 14 HG3 GLU 14 7.258 0.755 -2.779 80 HG3 GLU 14 HG2 GLU 14 6.987 2.378 -3.410 81 H ILE 15 H ILE 15 5.608 2.222 -0.995 82 HA ILE 15 HA ILE 15 4.994 4.966 -1.812 83 HB ILE 15 HB ILE 15 3.187 2.522 -1.897 84 HG12 ILE 15 HG13 ILE 15 4.970 2.282 -3.550 85 HG13 ILE 15 HG12 ILE 15 3.445 2.606 -4.351 86 HG21 ILE 15 HG21 ILE 15 1.902 4.561 -1.646 87 HG22 ILE 15 HG22 ILE 15 1.676 3.892 -3.262 88 HG23 ILE 15 HG23 ILE 15 2.736 5.280 -3.022 89 HD11 ILE 15 HD11 ILE 15 4.111 4.947 -4.667 90 HD12 ILE 15 HD12 ILE 15 5.252 3.825 -5.409 91 HD13 ILE 15 HD13 ILE 15 5.652 4.601 -3.880 92 H CYS 16 H CYS 16 3.932 2.430 0.346 93 HA CYS 16 HA CYS 16 3.068 4.470 2.213 94 HB2 CYS 16 2HB CYS 16 1.801 1.891 1.553 95 HB3 CYS 16 1HB CYS 16 1.237 2.981 2.816 96 HN1 NH2 17 1H NH2 17 2.932 0.954 2.591 97 HN2 NH2 17 2H NH2 17 4.191 0.863 3.764 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 -4.709 7.516 -3.793 2 H2 GLY 1 H2 GLY 1 -4.237 6.760 -2.372 3 H3 GLY 1 H3 GLY 1 -5.642 6.261 -3.135 4 HA2 GLY 1 HA2 GLY 1 -4.346 5.483 -5.022 5 HA3 GLY 1 HA3 GLY 1 -2.894 5.947 -4.143 6 H CYS 2 H CYS 2 -2.152 3.813 -4.161 7 HA CYS 2 HA CYS 2 -3.628 1.641 -3.312 8 HB2 CYS 2 HB3 CYS 2 -0.933 2.260 -3.935 9 HB3 CYS 2 HB2 CYS 2 -1.152 0.777 -3.007 10 H CYS 3 H CYS 3 -2.014 3.981 -1.502 11 HA CYS 3 HA CYS 3 -1.523 2.389 0.720 12 HB2 CYS 3 HB3 CYS 3 -1.773 5.303 0.288 13 HB3 CYS 3 HB2 CYS 3 -1.723 4.682 1.926 14 H SER 4 H SER 4 -4.276 4.022 -0.303 15 HA SER 4 HA SER 4 -5.875 3.430 2.043 16 HB2 SER 4 HB3 SER 4 -6.772 4.304 -0.713 17 HB3 SER 4 HB2 SER 4 -7.715 4.402 0.774 18 HG SER 4 HG SER 4 -6.762 6.186 1.225 19 H HIS 5 H HIS 5 -4.569 1.370 0.060 20 HA HIS 5 HA HIS 5 -6.872 -0.434 -0.125 21 HB2 HIS 5 HB3 HIS 5 -4.639 0.113 -2.017 22 HB3 HIS 5 HB2 HIS 5 -5.446 -1.452 -2.055 23 HD1 HIS 5 HD1 HIS 5 -7.748 -1.535 -3.199 24 HD2 HIS 5 HD2 HIS 5 -6.238 2.316 -2.805 25 HE1 HIS 5 HE1 HIS 5 -9.246 -0.067 -4.585 26 HA PRO 6 HA PRO 6 -4.345 -2.401 3.023 27 HB2 PRO 6 HB2 PRO 6 -6.071 -4.698 2.236 28 HB3 PRO 6 HB3 PRO 6 -5.678 -4.096 3.852 29 HG2 PRO 6 HG3 PRO 6 -8.036 -3.550 2.787 30 HG3 PRO 6 HG2 PRO 6 -7.150 -2.300 3.678 31 HD2 PRO 6 HD3 PRO 6 -7.509 -2.629 0.732 32 HD3 PRO 6 HD2 PRO 6 -7.455 -1.146 1.708 33 H ALA 7 H ALA 7 -5.085 -4.347 0.123 34 HA ALA 7 HA ALA 7 -2.770 -5.972 0.499 35 HB1 ALA 7 HB1 ALA 7 -3.348 -7.089 -1.535 36 HB2 ALA 7 HB2 ALA 7 -4.441 -5.797 -2.001 37 HB3 ALA 7 HB3 ALA 7 -4.823 -6.814 -0.612 38 H CYS 8 H CYS 8 -3.456 -3.158 -1.484 39 HA CYS 8 HA CYS 8 -1.032 -3.489 -3.043 40 HB2 CYS 8 HB3 CYS 8 -3.279 -2.346 -3.767 41 HB3 CYS 8 HB2 CYS 8 -2.664 -0.970 -2.861 42 H ASN 9 H ASN 9 -2.019 -2.024 -0.166 43 HA ASN 9 HA ASN 9 -0.164 0.004 0.307 44 HB2 ASN 9 HB3 ASN 9 -2.212 -0.649 1.641 45 HB3 ASN 9 HB2 ASN 9 -1.249 -1.980 2.227 46 HD21 ASN 9 HD22 ASN 9 -1.813 1.354 2.421 47 HD22 ASN 9 HD21 ASN 9 -0.816 1.701 3.779 48 H VAL 10 H VAL 10 -0.149 -3.383 0.906 49 HA VAL 10 HA VAL 10 2.240 -3.555 2.393 50 HB VAL 10 HB VAL 10 0.896 -5.730 0.822 51 HG11 VAL 10 HG11 VAL 10 3.149 -6.366 1.449 52 HG12 VAL 10 HG12 VAL 10 1.995 -7.266 2.438 53 HG13 VAL 10 HG13 VAL 10 2.852 -5.885 3.117 54 HG21 VAL 10 HG21 VAL 10 0.522 -4.923 3.700 55 HG22 VAL 10 HG22 VAL 10 -0.195 -6.343 2.941 56 HG23 VAL 10 HG23 VAL 10 -0.651 -4.728 2.398 57 H ASP 11 H ASP 11 1.592 -3.975 -1.092 58 HA ASP 11 HA ASP 11 4.342 -4.752 -1.426 59 HB2 ASP 11 HB3 ASP 11 3.878 -5.274 -3.733 60 HB3 ASP 11 HB2 ASP 11 2.628 -5.955 -2.715 61 H HIS 12 H HIS 12 3.081 -1.851 -1.027 62 HA HIS 12 HA HIS 12 5.124 -0.632 -2.704 63 HB2 HIS 12 HB3 HIS 12 2.596 0.381 -1.538 64 HB3 HIS 12 HB2 HIS 12 3.881 1.475 -2.003 65 HD1 HIS 12 HD1 HIS 12 4.171 1.856 -4.621 66 HD2 HIS 12 HD2 HIS 12 1.158 -0.796 -3.565 67 HE1 HIS 12 HE1 HIS 12 2.769 1.566 -6.680 68 HA PRO 13 HA PRO 13 6.532 -0.657 1.761 69 HB2 PRO 13 HB2 PRO 13 9.220 -0.857 0.577 70 HB3 PRO 13 HB3 PRO 13 8.453 -1.908 1.771 71 HG2 PRO 13 HG3 PRO 13 8.874 -2.730 -0.743 72 HG3 PRO 13 HG2 PRO 13 7.423 -3.209 0.155 73 HD2 PRO 13 HD3 PRO 13 7.733 -1.079 -1.934 74 HD3 PRO 13 HD2 PRO 13 6.442 -2.284 -1.739 75 H GLU 14 H GLU 14 7.796 1.011 -0.936 76 HA GLU 14 HA GLU 14 9.127 3.027 0.548 77 HB2 GLU 14 HB3 GLU 14 9.466 4.001 -1.663 78 HB3 GLU 14 HB2 GLU 14 10.014 2.333 -1.560 79 HG2 GLU 14 HG3 GLU 14 7.919 1.638 -2.684 80 HG3 GLU 14 HG2 GLU 14 7.473 3.338 -2.815 81 H ILE 15 H ILE 15 5.920 2.562 -0.600 82 HA ILE 15 HA ILE 15 5.387 5.453 -0.474 83 HB ILE 15 HB ILE 15 3.508 3.284 -1.449 84 HG12 ILE 15 HG13 ILE 15 5.445 3.363 -2.948 85 HG13 ILE 15 HG12 ILE 15 4.027 4.023 -3.740 86 HG21 ILE 15 HG21 ILE 15 2.371 5.271 -0.706 87 HG22 ILE 15 HG22 ILE 15 2.271 5.138 -2.464 88 HG23 ILE 15 HG23 ILE 15 3.406 6.266 -1.728 89 HD11 ILE 15 HD11 ILE 15 6.008 5.335 -4.241 90 HD12 ILE 15 HD12 ILE 15 6.266 5.623 -2.521 91 HD13 ILE 15 HD13 ILE 15 4.840 6.285 -3.321 92 H CYS 16 H CYS 16 3.953 2.429 0.456 93 HA CYS 16 HA CYS 16 2.477 3.765 2.563 94 HB2 CYS 16 2HB CYS 16 2.270 1.014 1.516 95 HB3 CYS 16 1HB CYS 16 1.112 1.785 2.593 96 HN1 NH2 17 1H NH2 17 3.910 0.523 2.283 97 HN2 NH2 17 2H NH2 17 4.686 0.566 3.828 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 -5.094 6.384 -2.656 2 H2 GLY 1 H2 GLY 1 -6.468 5.531 -3.111 3 H3 GLY 1 H3 GLY 1 -5.897 6.796 -4.080 4 HA2 GLY 1 HA2 GLY 1 -5.350 4.692 -5.038 5 HA3 GLY 1 HA3 GLY 1 -3.906 5.574 -4.557 6 H CYS 2 H CYS 2 -2.685 3.673 -4.418 7 HA CYS 2 HA CYS 2 -3.499 1.384 -3.225 8 HB2 CYS 2 HB3 CYS 2 -1.036 2.508 -4.124 9 HB3 CYS 2 HB2 CYS 2 -0.946 1.012 -3.191 10 H CYS 3 H CYS 3 -2.217 4.124 -1.705 11 HA CYS 3 HA CYS 3 -1.234 2.710 0.513 12 HB2 CYS 3 HB3 CYS 3 -1.885 5.577 0.073 13 HB3 CYS 3 HB2 CYS 3 -1.387 4.971 1.629 14 H SER 4 H SER 4 -4.200 4.125 -0.213 15 HA SER 4 HA SER 4 -5.340 3.509 2.388 16 HB2 SER 4 HB3 SER 4 -6.156 5.481 1.138 17 HB3 SER 4 HB2 SER 4 -6.722 4.427 -0.157 18 HG SER 4 HG SER 4 -7.863 3.402 1.814 19 H HIS 5 H HIS 5 -4.417 1.631 -0.052 20 HA HIS 5 HA HIS 5 -6.678 -0.228 0.061 21 HB2 HIS 5 HB3 HIS 5 -4.557 0.353 -1.926 22 HB3 HIS 5 HB2 HIS 5 -5.465 -1.153 -2.037 23 HD1 HIS 5 HD1 HIS 5 -6.094 0.140 -4.472 24 HD2 HIS 5 HD2 HIS 5 -7.846 1.531 -0.980 25 HE1 HIS 5 HE1 HIS 5 -8.092 1.487 -5.197 26 HA PRO 6 HA PRO 6 -3.939 -2.275 2.947 27 HB2 PRO 6 HB2 PRO 6 -5.710 -4.580 2.379 28 HB3 PRO 6 HB3 PRO 6 -5.237 -3.885 3.930 29 HG2 PRO 6 HG3 PRO 6 -7.668 -3.458 2.921 30 HG3 PRO 6 HG2 PRO 6 -6.799 -2.187 3.795 31 HD2 PRO 6 HD3 PRO 6 -7.264 -2.497 0.870 32 HD3 PRO 6 HD2 PRO 6 -7.170 -1.024 1.860 33 H ALA 7 H ALA 7 -4.929 -4.222 0.113 34 HA ALA 7 HA ALA 7 -2.608 -5.869 0.390 35 HB1 ALA 7 HB1 ALA 7 -4.700 -6.793 -0.526 36 HB2 ALA 7 HB2 ALA 7 -3.322 -7.043 -1.591 37 HB3 ALA 7 HB3 ALA 7 -4.499 -5.788 -1.959 38 H CYS 8 H CYS 8 -3.364 -3.069 -1.535 39 HA CYS 8 HA CYS 8 -1.005 -3.437 -3.189 40 HB2 CYS 8 HB3 CYS 8 -3.202 -2.234 -3.891 41 HB3 CYS 8 HB2 CYS 8 -2.579 -0.885 -2.939 42 H ASN 9 H ASN 9 -1.857 -1.981 -0.254 43 HA ASN 9 HA ASN 9 0.184 -0.079 0.129 44 HB2 ASN 9 HB3 ASN 9 -1.910 -0.512 1.511 45 HB3 ASN 9 HB2 ASN 9 -1.046 -1.890 2.141 46 HD21 ASN 9 HD22 ASN 9 -1.415 1.470 2.264 47 HD22 ASN 9 HD21 ASN 9 -0.324 1.779 3.572 48 H VAL 10 H VAL 10 -0.147 -3.449 0.753 49 HA VAL 10 HA VAL 10 2.276 -3.958 2.096 50 HB VAL 10 HB VAL 10 0.645 -5.856 0.429 51 HG11 VAL 10 HG11 VAL 10 2.893 -6.755 0.793 52 HG12 VAL 10 HG12 VAL 10 1.719 -7.661 1.749 53 HG13 VAL 10 HG13 VAL 10 2.747 -6.456 2.525 54 HG21 VAL 10 HG21 VAL 10 -0.632 -4.886 2.234 55 HG22 VAL 10 HG22 VAL 10 0.622 -5.333 3.391 56 HG23 VAL 10 HG23 VAL 10 -0.304 -6.586 2.563 57 H ASP 11 H ASP 11 1.526 -3.890 -1.370 58 HA ASP 11 HA ASP 11 4.236 -4.743 -1.875 59 HB2 ASP 11 HB3 ASP 11 3.728 -4.852 -4.243 60 HB3 ASP 11 HB2 ASP 11 2.460 -5.669 -3.347 61 H HIS 12 H HIS 12 2.938 -1.969 -1.017 62 HA HIS 12 HA HIS 12 4.940 -0.378 -2.458 63 HB2 HIS 12 HB3 HIS 12 2.288 0.194 -1.279 64 HB3 HIS 12 HB2 HIS 12 3.454 1.465 -1.483 65 HD1 HIS 12 HD1 HIS 12 2.676 -1.242 -4.114 66 HD2 HIS 12 HD2 HIS 12 2.117 2.807 -3.391 67 HE1 HIS 12 HE1 HIS 12 1.896 -0.292 -6.244 68 HA PRO 13 HA PRO 13 5.846 -0.593 2.167 69 HB2 PRO 13 HB2 PRO 13 8.363 -1.548 2.150 70 HB3 PRO 13 HB3 PRO 13 6.963 -2.619 2.016 71 HG2 PRO 13 HG3 PRO 13 8.802 -1.630 -0.118 72 HG3 PRO 13 HG2 PRO 13 8.076 -3.234 0.081 73 HD2 PRO 13 HD3 PRO 13 7.126 -1.274 -1.631 74 HD3 PRO 13 HD2 PRO 13 6.151 -2.614 -0.995 75 H GLU 14 H GLU 14 7.432 0.731 -0.497 76 HA GLU 14 HA GLU 14 8.971 2.577 1.087 77 HB2 GLU 14 HB3 GLU 14 9.915 3.136 -1.101 78 HB3 GLU 14 HB2 GLU 14 10.220 1.475 -0.590 79 HG2 GLU 14 HG3 GLU 14 8.427 0.750 -2.129 80 HG3 GLU 14 HG2 GLU 14 8.200 2.428 -2.625 81 H ILE 15 H ILE 15 5.921 2.418 -0.060 82 HA ILE 15 HA ILE 15 5.850 5.298 -0.760 83 HB ILE 15 HB ILE 15 3.686 3.295 -1.412 84 HG12 ILE 15 HG13 ILE 15 5.746 2.659 -2.644 85 HG13 ILE 15 HG12 ILE 15 4.470 3.210 -3.719 86 HG21 ILE 15 HG21 ILE 15 2.930 5.573 -1.311 87 HG22 ILE 15 HG22 ILE 15 2.895 5.000 -2.977 88 HG23 ILE 15 HG23 ILE 15 4.188 6.072 -2.443 89 HD11 ILE 15 HD11 ILE 15 6.606 4.051 -4.409 90 HD12 ILE 15 HD12 ILE 15 6.853 4.779 -2.816 91 HD13 ILE 15 HD13 ILE 15 5.563 5.376 -3.870 92 H CYS 16 H CYS 16 4.036 2.675 0.634 93 HA CYS 16 HA CYS 16 2.501 4.550 2.233 94 HB2 CYS 16 2HB CYS 16 2.059 1.695 1.658 95 HB3 CYS 16 1HB CYS 16 0.873 2.816 2.316 96 HN1 NH2 17 1H NH2 17 3.884 4.828 3.954 97 HN2 NH2 17 2H NH2 17 4.387 3.549 5.007 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 -4.482 6.629 -5.555 2 H2 GLY 1 H2 GLY 1 -5.558 5.522 -4.846 3 H3 GLY 1 H3 GLY 1 -4.350 4.987 -5.907 4 HA2 GLY 1 HA2 GLY 1 -2.654 5.663 -4.384 5 HA3 GLY 1 HA3 GLY 1 -3.909 6.260 -3.306 6 H CYS 2 H CYS 2 -2.020 3.615 -4.198 7 HA CYS 2 HA CYS 2 -3.631 1.511 -3.460 8 HB2 CYS 2 HB3 CYS 2 -0.885 2.015 -3.996 9 HB3 CYS 2 HB2 CYS 2 -1.193 0.529 -3.097 10 H CYS 3 H CYS 3 -1.948 3.723 -1.559 11 HA CYS 3 HA CYS 3 -1.623 2.047 0.633 12 HB2 CYS 3 HB3 CYS 3 -1.477 4.960 0.226 13 HB3 CYS 3 HB2 CYS 3 -1.566 4.324 1.860 14 H SER 4 H SER 4 -4.199 3.946 -0.379 15 HA SER 4 HA SER 4 -5.808 3.674 1.982 16 HB2 SER 4 HB3 SER 4 -6.760 4.084 -0.865 17 HB3 SER 4 HB2 SER 4 -7.649 4.474 0.608 18 HG SER 4 HG SER 4 -6.167 6.042 1.084 19 H HIS 5 H HIS 5 -4.677 1.344 0.005 20 HA HIS 5 HA HIS 5 -6.952 -0.484 0.336 21 HB2 HIS 5 HB3 HIS 5 -4.944 -0.221 -1.873 22 HB3 HIS 5 HB2 HIS 5 -6.040 -1.598 -1.750 23 HD1 HIS 5 HD1 HIS 5 -8.404 -1.237 -2.701 24 HD2 HIS 5 HD2 HIS 5 -6.144 2.243 -2.575 25 HE1 HIS 5 HE1 HIS 5 -9.701 0.465 -4.022 26 HA PRO 6 HA PRO 6 -3.537 -2.140 2.978 27 HB2 PRO 6 HB2 PRO 6 -4.961 -4.499 3.518 28 HB3 PRO 6 HB3 PRO 6 -4.925 -3.048 4.521 29 HG2 PRO 6 HG3 PRO 6 -6.946 -3.920 2.518 30 HG3 PRO 6 HG2 PRO 6 -7.171 -3.057 4.046 31 HD2 PRO 6 HD3 PRO 6 -7.357 -1.792 1.723 32 HD3 PRO 6 HD2 PRO 6 -6.595 -0.996 3.112 33 H ALA 7 H ALA 7 -5.218 -3.993 0.482 34 HA ALA 7 HA ALA 7 -3.302 -6.069 0.340 35 HB1 ALA 7 HB1 ALA 7 -5.603 -6.339 -0.467 36 HB2 ALA 7 HB2 ALA 7 -4.415 -6.735 -1.707 37 HB3 ALA 7 HB3 ALA 7 -5.270 -5.194 -1.766 38 H CYS 8 H CYS 8 -3.557 -2.943 -1.213 39 HA CYS 8 HA CYS 8 -1.302 -3.599 -2.998 40 HB2 CYS 8 HB3 CYS 8 -3.493 -2.360 -3.732 41 HB3 CYS 8 HB2 CYS 8 -2.760 -0.983 -2.913 42 H ASN 9 H ASN 9 -2.066 -2.041 -0.123 43 HA ASN 9 HA ASN 9 -0.205 0.011 0.159 44 HB2 ASN 9 HB3 ASN 9 -2.135 -0.647 1.671 45 HB3 ASN 9 HB2 ASN 9 -1.059 -1.899 2.264 46 HD21 ASN 9 HD22 ASN 9 -1.883 1.366 2.404 47 HD22 ASN 9 HD21 ASN 9 -0.744 1.848 3.612 48 H VAL 10 H VAL 10 -0.056 -3.346 0.928 49 HA VAL 10 HA VAL 10 2.496 -3.326 2.131 50 HB VAL 10 HB VAL 10 0.830 -5.056 2.646 51 HG11 VAL 10 HG11 VAL 10 0.439 -6.954 1.155 52 HG12 VAL 10 HG12 VAL 10 1.366 -6.135 -0.104 53 HG13 VAL 10 HG13 VAL 10 -0.140 -5.429 0.481 54 HG21 VAL 10 HG21 VAL 10 3.407 -6.197 1.561 55 HG22 VAL 10 HG22 VAL 10 2.327 -7.016 2.690 56 HG23 VAL 10 HG23 VAL 10 3.154 -5.535 3.175 57 H ASP 11 H ASP 11 1.544 -3.703 -1.249 58 HA ASP 11 HA ASP 11 4.272 -4.445 -1.785 59 HB2 ASP 11 HB3 ASP 11 3.648 -4.885 -4.142 60 HB3 ASP 11 HB2 ASP 11 2.707 -5.824 -3.008 61 H HIS 12 H HIS 12 2.903 -1.656 -1.202 62 HA HIS 12 HA HIS 12 4.917 -0.300 -2.799 63 HB2 HIS 12 HB3 HIS 12 2.324 0.577 -1.667 64 HB3 HIS 12 HB2 HIS 12 3.562 1.738 -2.082 65 HD1 HIS 12 HD1 HIS 12 3.738 2.343 -4.627 66 HD2 HIS 12 HD2 HIS 12 1.118 -0.775 -3.793 67 HE1 HIS 12 HE1 HIS 12 2.473 1.928 -6.746 68 HA PRO 13 HA PRO 13 5.991 -0.246 1.770 69 HB2 PRO 13 HB2 PRO 13 8.668 -1.114 1.044 70 HB3 PRO 13 HB3 PRO 13 7.490 -1.930 2.075 71 HG2 PRO 13 HG3 PRO 13 8.198 -2.897 -0.346 72 HG3 PRO 13 HG2 PRO 13 6.572 -3.105 0.326 73 HD2 PRO 13 HD3 PRO 13 7.535 -1.087 -1.683 74 HD3 PRO 13 HD2 PRO 13 6.069 -2.096 -1.720 75 H GLU 14 H GLU 14 7.289 1.086 -1.014 76 HA GLU 14 HA GLU 14 9.122 2.850 0.230 77 HB2 GLU 14 HB3 GLU 14 9.066 3.888 -2.047 78 HB3 GLU 14 HB2 GLU 14 9.635 2.224 -1.977 79 HG2 GLU 14 HG3 GLU 14 7.445 1.476 -2.775 80 HG3 GLU 14 HG2 GLU 14 6.896 3.154 -2.818 81 H ILE 15 H ILE 15 5.758 2.778 -0.362 82 HA ILE 15 HA ILE 15 5.571 5.647 0.215 83 HB ILE 15 HB ILE 15 3.309 3.812 -0.656 84 HG12 ILE 15 HG13 ILE 15 4.969 5.720 -2.340 85 HG13 ILE 15 HG12 ILE 15 4.979 3.959 -2.435 86 HG21 ILE 15 HG21 ILE 15 2.144 5.928 -1.130 87 HG22 ILE 15 HG22 ILE 15 3.540 6.827 -0.535 88 HG23 ILE 15 HG23 ILE 15 2.610 5.810 0.567 89 HD11 ILE 15 HD11 ILE 15 2.610 5.708 -3.033 90 HD12 ILE 15 HD12 ILE 15 2.693 3.957 -3.213 91 HD13 ILE 15 HD13 ILE 15 3.685 5.002 -4.237 92 H CYS 16 H CYS 16 4.106 2.574 1.011 93 HA CYS 16 HA CYS 16 3.842 3.534 3.718 94 HB2 CYS 16 2HB CYS 16 2.054 1.830 2.116 95 HB3 CYS 16 1HB CYS 16 1.861 1.989 3.860 96 HN1 NH2 17 1H NH2 17 3.061 0.252 2.734 97 HN2 NH2 17 2H NH2 17 4.451 -0.473 3.446 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -5.595 5.650 -2.932 2 H2 GLY 1 H2 GLY 1 -6.474 4.881 -4.148 3 H3 GLY 1 H3 GLY 1 -5.766 6.378 -4.446 4 HA2 GLY 1 HA2 GLY 1 -4.516 4.584 -5.469 5 HA3 GLY 1 HA3 GLY 1 -3.571 5.396 -4.227 6 H CYS 2 H CYS 2 -2.506 3.081 -4.531 7 HA CYS 2 HA CYS 2 -3.951 0.979 -3.402 8 HB2 CYS 2 HB3 CYS 2 -1.339 1.416 -4.469 9 HB3 CYS 2 HB2 CYS 2 -1.486 0.018 -3.403 10 H CYS 3 H CYS 3 -1.951 3.371 -2.120 11 HA CYS 3 HA CYS 3 -1.564 2.038 0.349 12 HB2 CYS 3 HB3 CYS 3 -1.063 4.744 -0.677 13 HB3 CYS 3 HB2 CYS 3 -1.276 4.564 1.056 14 H SER 4 H SER 4 -4.011 3.908 -0.993 15 HA SER 4 HA SER 4 -5.553 4.400 1.363 16 HB2 SER 4 HB3 SER 4 -6.717 3.886 -1.381 17 HB3 SER 4 HB2 SER 4 -7.337 4.950 -0.118 18 HG SER 4 HG SER 4 -5.600 6.321 -0.463 19 H HIS 5 H HIS 5 -4.970 1.707 -0.675 20 HA HIS 5 HA HIS 5 -7.112 0.041 0.349 21 HB2 HIS 5 HB3 HIS 5 -4.962 -0.375 -1.732 22 HB3 HIS 5 HB2 HIS 5 -6.048 -1.648 -1.193 23 HD1 HIS 5 HD1 HIS 5 -5.755 0.438 -4.019 24 HD2 HIS 5 HD2 HIS 5 -8.864 -0.463 -1.412 25 HE1 HIS 5 HE1 HIS 5 -7.869 0.885 -5.281 26 HA PRO 6 HA PRO 6 -4.294 -1.894 3.214 27 HB2 PRO 6 HB2 PRO 6 -5.578 -4.204 3.735 28 HB3 PRO 6 HB3 PRO 6 -6.184 -2.644 4.288 29 HG2 PRO 6 HG3 PRO 6 -7.137 -4.347 2.051 30 HG3 PRO 6 HG2 PRO 6 -8.048 -3.253 3.100 31 HD2 PRO 6 HD3 PRO 6 -7.174 -2.719 0.489 32 HD3 PRO 6 HD2 PRO 6 -7.780 -1.531 1.657 33 H ALA 7 H ALA 7 -5.351 -4.257 0.729 34 HA ALA 7 HA ALA 7 -3.015 -5.828 1.189 35 HB1 ALA 7 HB1 ALA 7 -3.763 -7.289 -0.570 36 HB2 ALA 7 HB2 ALA 7 -4.918 -6.090 -1.131 37 HB3 ALA 7 HB3 ALA 7 -5.138 -6.855 0.442 38 H CYS 8 H CYS 8 -3.910 -3.466 -1.192 39 HA CYS 8 HA CYS 8 -1.567 -3.937 -2.838 40 HB2 CYS 8 HB3 CYS 8 -3.936 -3.079 -3.553 41 HB3 CYS 8 HB2 CYS 8 -3.342 -1.526 -2.972 42 H ASN 9 H ASN 9 -1.996 -2.601 0.051 43 HA ASN 9 HA ASN 9 -0.561 -0.129 -0.042 44 HB2 ASN 9 HB3 ASN 9 -2.236 -0.921 1.657 45 HB3 ASN 9 HB2 ASN 9 -0.993 -2.006 2.225 46 HD21 ASN 9 HD22 ASN 9 -2.066 1.189 2.054 47 HD22 ASN 9 HD21 ASN 9 -0.956 1.890 3.182 48 H VAL 10 H VAL 10 0.024 -3.417 0.709 49 HA VAL 10 HA VAL 10 2.559 -3.307 1.816 50 HB VAL 10 HB VAL 10 1.313 -5.580 0.305 51 HG11 VAL 10 HG11 VAL 10 3.539 -5.617 2.342 52 HG12 VAL 10 HG12 VAL 10 3.702 -5.942 0.617 53 HG13 VAL 10 HG13 VAL 10 2.775 -7.043 1.637 54 HG21 VAL 10 HG21 VAL 10 0.584 -6.388 2.512 55 HG22 VAL 10 HG22 VAL 10 -0.121 -4.824 2.105 56 HG23 VAL 10 HG23 VAL 10 1.224 -4.916 3.243 57 H ASP 11 H ASP 11 1.636 -3.467 -1.609 58 HA ASP 11 HA ASP 11 4.386 -3.936 -2.247 59 HB2 ASP 11 HB3 ASP 11 3.751 -3.986 -4.659 60 HB3 ASP 11 HB2 ASP 11 2.945 -5.184 -3.670 61 H HIS 12 H HIS 12 3.063 -1.225 -1.292 62 HA HIS 12 HA HIS 12 4.920 0.336 -2.906 63 HB2 HIS 12 HB3 HIS 12 2.625 1.042 -1.145 64 HB3 HIS 12 HB2 HIS 12 3.824 2.223 -1.602 65 HD1 HIS 12 HD1 HIS 12 3.169 3.592 -3.661 66 HD2 HIS 12 HD2 HIS 12 1.231 -0.094 -3.499 67 HE1 HIS 12 HE1 HIS 12 1.505 3.607 -5.521 68 HA PRO 13 HA PRO 13 6.703 -0.991 1.212 69 HB2 PRO 13 HB2 PRO 13 9.301 -0.949 -0.119 70 HB3 PRO 13 HB3 PRO 13 8.488 -2.292 0.686 71 HG2 PRO 13 HG3 PRO 13 8.785 -2.213 -1.983 72 HG3 PRO 13 HG2 PRO 13 7.350 -2.920 -1.229 73 HD2 PRO 13 HD3 PRO 13 7.690 -0.217 -2.466 74 HD3 PRO 13 HD2 PRO 13 6.344 -1.371 -2.628 75 H GLU 14 H GLU 14 8.036 1.344 -0.901 76 HA GLU 14 HA GLU 14 9.475 2.691 1.172 77 HB2 GLU 14 HB3 GLU 14 10.098 4.164 -0.665 78 HB3 GLU 14 HB2 GLU 14 10.516 2.476 -0.944 79 HG2 GLU 14 HG3 GLU 14 8.531 2.282 -2.402 80 HG3 GLU 14 HG2 GLU 14 8.198 3.994 -2.132 81 H ILE 15 H ILE 15 6.309 2.666 0.323 82 HA ILE 15 HA ILE 15 5.967 5.535 0.927 83 HB ILE 15 HB ILE 15 3.916 3.761 -0.417 84 HG12 ILE 15 HG13 ILE 15 5.841 3.940 -1.933 85 HG13 ILE 15 HG12 ILE 15 4.478 4.856 -2.558 86 HG21 ILE 15 HG21 ILE 15 2.834 5.878 -1.033 87 HG22 ILE 15 HG22 ILE 15 4.081 6.759 -0.152 88 HG23 ILE 15 HG23 ILE 15 2.983 5.685 0.716 89 HD11 ILE 15 HD11 ILE 15 6.552 6.057 -2.887 90 HD12 ILE 15 HD12 ILE 15 6.894 5.979 -1.155 91 HD13 ILE 15 HD13 ILE 15 5.523 6.921 -1.741 92 H CYS 16 H CYS 16 4.490 2.382 1.244 93 HA CYS 16 HA CYS 16 3.594 3.086 3.909 94 HB2 CYS 16 2HB CYS 16 2.240 1.576 1.766 95 HB3 CYS 16 1HB CYS 16 1.649 1.647 3.426 96 HN1 NH2 17 1H NH2 17 5.370 2.040 4.765 97 HN2 NH2 17 2H NH2 17 5.652 0.333 4.655 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -5.757 5.819 -4.536 2 H2 GLY 1 H2 GLY 1 -4.623 5.306 -5.681 3 H3 GLY 1 H3 GLY 1 -4.691 6.936 -5.230 4 HA2 GLY 1 HA2 GLY 1 -2.810 5.876 -4.177 5 HA3 GLY 1 HA3 GLY 1 -3.998 6.380 -2.985 6 H CYS 2 H CYS 2 -2.149 3.818 -4.157 7 HA CYS 2 HA CYS 2 -3.713 1.603 -3.514 8 HB2 CYS 2 HB3 CYS 2 -0.869 2.141 -3.954 9 HB3 CYS 2 HB2 CYS 2 -1.254 0.663 -3.104 10 H CYS 3 H CYS 3 -2.064 3.841 -1.551 11 HA CYS 3 HA CYS 3 -1.621 2.246 0.717 12 HB2 CYS 3 HB3 CYS 3 -1.721 5.165 0.164 13 HB3 CYS 3 HB2 CYS 3 -1.816 4.644 1.840 14 H SER 4 H SER 4 -4.342 4.131 -0.347 15 HA SER 4 HA SER 4 -5.881 3.933 2.014 16 HB2 SER 4 HB3 SER 4 -6.838 4.196 -0.852 17 HB3 SER 4 HB2 SER 4 -7.803 4.516 0.589 18 HG SER 4 HG SER 4 -6.120 6.114 1.104 19 H HIS 5 H HIS 5 -4.876 1.669 -0.208 20 HA HIS 5 HA HIS 5 -7.053 -0.208 0.383 21 HB2 HIS 5 HB3 HIS 5 -4.924 -0.152 -1.756 22 HB3 HIS 5 HB2 HIS 5 -5.964 -1.548 -1.479 23 HD1 HIS 5 HD1 HIS 5 -8.453 -1.331 -2.227 24 HD2 HIS 5 HD2 HIS 5 -6.137 2.038 -2.966 25 HE1 HIS 5 HE1 HIS 5 -9.811 0.138 -3.775 26 HA PRO 6 HA PRO 6 -4.212 -2.464 2.948 27 HB2 PRO 6 HB2 PRO 6 -5.522 -4.772 3.232 28 HB3 PRO 6 HB3 PRO 6 -6.180 -3.263 3.877 29 HG2 PRO 6 HG3 PRO 6 -6.916 -4.740 1.385 30 HG3 PRO 6 HG2 PRO 6 -7.967 -3.918 2.551 31 HD2 PRO 6 HD3 PRO 6 -7.131 -2.845 0.136 32 HD3 PRO 6 HD2 PRO 6 -7.712 -1.901 1.520 33 H ALA 7 H ALA 7 -5.370 -4.150 0.043 34 HA ALA 7 HA ALA 7 -3.319 -6.128 0.070 35 HB1 ALA 7 HB1 ALA 7 -5.499 -6.488 -0.992 36 HB2 ALA 7 HB2 ALA 7 -4.162 -6.770 -2.107 37 HB3 ALA 7 HB3 ALA 7 -5.095 -5.278 -2.209 38 H CYS 8 H CYS 8 -3.770 -3.118 -1.780 39 HA CYS 8 HA CYS 8 -1.261 -3.501 -3.166 40 HB2 CYS 8 HB3 CYS 8 -3.375 -2.391 -4.119 41 HB3 CYS 8 HB2 CYS 8 -2.896 -0.975 -3.189 42 H ASN 9 H ASN 9 -1.656 -2.880 -0.115 43 HA ASN 9 HA ASN 9 -0.021 -0.490 0.133 44 HB2 ASN 9 HB3 ASN 9 -2.012 -1.112 1.642 45 HB3 ASN 9 HB2 ASN 9 -0.898 -2.234 2.397 46 HD21 ASN 9 HD22 ASN 9 -0.164 0.968 1.126 47 HD22 ASN 9 HD21 ASN 9 0.285 1.659 2.642 48 H VAL 10 H VAL 10 0.114 -3.856 1.136 49 HA VAL 10 HA VAL 10 2.620 -3.886 2.309 50 HB VAL 10 HB VAL 10 1.437 -6.158 0.737 51 HG11 VAL 10 HG11 VAL 10 3.323 -6.123 3.088 52 HG12 VAL 10 HG12 VAL 10 3.755 -6.498 1.420 53 HG13 VAL 10 HG13 VAL 10 2.669 -7.565 2.311 54 HG21 VAL 10 HG21 VAL 10 0.352 -6.833 2.824 55 HG22 VAL 10 HG22 VAL 10 -0.223 -5.260 2.275 56 HG23 VAL 10 HG23 VAL 10 0.936 -5.362 3.601 57 H ASP 11 H ASP 11 1.801 -4.343 -1.119 58 HA ASP 11 HA ASP 11 4.504 -4.947 -1.842 59 HB2 ASP 11 HB3 ASP 11 3.653 -4.720 -4.193 60 HB3 ASP 11 HB2 ASP 11 2.783 -5.889 -3.204 61 H HIS 12 H HIS 12 3.253 -2.148 -0.815 62 HA HIS 12 HA HIS 12 5.016 -0.548 -2.536 63 HB2 HIS 12 HB3 HIS 12 2.312 -0.030 -1.447 64 HB3 HIS 12 HB2 HIS 12 3.413 1.330 -1.550 65 HD1 HIS 12 HD1 HIS 12 4.015 2.177 -3.945 66 HD2 HIS 12 HD2 HIS 12 1.424 -1.068 -3.864 67 HE1 HIS 12 HE1 HIS 12 3.091 1.949 -6.287 68 HA PRO 13 HA PRO 13 6.586 -0.307 1.834 69 HB2 PRO 13 HB2 PRO 13 9.135 -1.031 1.359 70 HB3 PRO 13 HB3 PRO 13 7.850 -2.221 1.601 71 HG2 PRO 13 HG3 PRO 13 9.097 -1.268 -0.943 72 HG3 PRO 13 HG2 PRO 13 8.617 -2.908 -0.475 73 HD2 PRO 13 HD3 PRO 13 7.125 -1.273 -2.098 74 HD3 PRO 13 HD2 PRO 13 6.446 -2.581 -1.112 75 H GLU 14 H GLU 14 7.282 1.107 -1.151 76 HA GLU 14 HA GLU 14 9.159 3.043 -0.068 77 HB2 GLU 14 HB3 GLU 14 8.961 3.876 -2.529 78 HB3 GLU 14 HB2 GLU 14 9.881 2.426 -2.173 79 HG2 GLU 14 HG3 GLU 14 7.972 1.058 -2.830 80 HG3 GLU 14 HG2 GLU 14 7.044 2.516 -3.179 81 H ILE 15 H ILE 15 5.878 2.685 -0.146 82 HA ILE 15 HA ILE 15 5.418 5.585 -0.394 83 HB ILE 15 HB ILE 15 3.303 3.447 -0.552 84 HG12 ILE 15 HG13 ILE 15 4.867 3.127 -2.402 85 HG13 ILE 15 HG12 ILE 15 3.347 3.782 -2.997 86 HG21 ILE 15 HG21 ILE 15 1.979 5.250 -1.589 87 HG22 ILE 15 HG22 ILE 15 3.312 6.367 -1.299 88 HG23 ILE 15 HG23 ILE 15 2.468 5.630 0.062 89 HD11 ILE 15 HD11 ILE 15 5.873 5.348 -2.524 90 HD12 ILE 15 HD12 ILE 15 4.350 5.999 -3.131 91 HD13 ILE 15 HD13 ILE 15 5.250 4.822 -4.087 92 H CYS 16 H CYS 16 3.722 2.934 1.220 93 HA CYS 16 HA CYS 16 3.532 4.605 3.621 94 HB2 CYS 16 2HB CYS 16 1.821 2.419 2.542 95 HB3 CYS 16 1HB CYS 16 1.739 2.850 4.240 96 HN1 NH2 17 1H NH2 17 3.339 1.099 3.235 97 HN2 NH2 17 2H NH2 17 4.565 0.721 4.391
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