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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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6081 |
1ien ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H PHE 1 1H PHE 1 -8.895 -4.500 19.468 2 2H PHE 1 2H PHE 1 -8.868 -5.619 18.189 3 3H PHE 1 3H PHE 1 -9.678 -4.137 18.005 4 HA PHE 1 HA PHE 1 -7.755 -2.924 17.817 5 1HB PHE 1 2HB PHE 1 -6.641 -3.917 19.858 6 2HB PHE 1 1HB PHE 1 -6.299 -5.385 18.967 7 HD1 PHE 1 HD1 PHE 1 -4.407 -5.492 17.464 8 HD2 PHE 1 HD2 PHE 1 -5.557 -1.743 19.136 9 HE1 PHE 1 HE1 PHE 1 -2.337 -4.479 16.632 10 HE2 PHE 1 HE2 PHE 1 -3.479 -0.741 18.300 11 HZ PHE 1 HZ PHE 1 -1.865 -2.107 17.050 12 H ASN 2 H ASN 2 -6.646 -6.251 17.243 13 HA ASN 2 HA ASN 2 -5.995 -7.256 15.140 14 1HB ASN 2 2HB ASN 2 -8.448 -5.725 14.160 15 2HB ASN 2 1HB ASN 2 -7.751 -7.184 13.477 16 1HD2 ASN 2 1HD2 ASN 2 -8.383 -9.172 14.315 17 2HD2 ASN 2 2HD2 ASN 2 -9.419 -9.350 15.649 18 H TRP 3 H TRP 3 -6.631 -5.987 12.693 19 HA TRP 3 HA TRP 3 -4.248 -4.276 12.355 20 1HB TRP 3 2HB TRP 3 -5.821 -4.602 9.872 21 2HB TRP 3 1HB TRP 3 -4.217 -5.215 10.223 22 HD1 TRP 3 HD1 TRP 3 -4.026 -7.872 10.523 23 HE1 TRP 3 HE1 TRP 3 -5.768 -9.634 10.787 24 HE3 TRP 3 HE3 TRP 3 -8.151 -4.994 10.915 25 HZ2 TRP 3 HZ2 TRP 3 -8.597 -9.920 11.153 26 HZ3 TRP 3 HZ3 TRP 3 -10.373 -6.022 11.245 27 HH2 TRP 3 HH2 TRP 3 -10.590 -8.481 11.373 28 H ARG 4 H ARG 4 -7.174 -3.639 13.437 29 HA ARG 4 HA ARG 4 -8.293 -1.583 11.884 30 1HB ARG 4 2HB ARG 4 -8.133 -1.732 14.920 31 2HB ARG 4 1HB ARG 4 -9.172 -0.665 14.024 32 1HG ARG 4 2HG ARG 4 -10.421 -2.507 13.044 33 2HG ARG 4 1HG ARG 4 -9.278 -3.693 13.639 34 1HD ARG 4 2HD ARG 4 -11.328 -3.629 15.055 35 2HD ARG 4 1HD ARG 4 -9.915 -3.139 15.981 36 HE ARG 4 HE ARG 4 -11.354 -0.919 14.723 37 1HH1 ARG 4 2HH1 ARG 4 -11.032 -2.967 17.508 38 2HH1 ARG 4 1HH1 ARG 4 -11.779 -1.822 18.569 39 1HH2 ARG 4 1HH2 ARG 4 -12.300 0.537 16.055 40 2HH2 ARG 4 2HH2 ARG 4 -12.507 0.187 17.739 41 H CYS 5 H CYS 5 -5.748 -1.647 14.166 42 HA CYS 5 HA CYS 5 -5.073 1.077 14.488 43 1HB CYS 5 2HB CYS 5 -4.231 -0.849 15.781 44 2HB CYS 5 1HB CYS 5 -3.268 -1.341 14.433 45 H CYS 6 H CYS 6 -3.889 -1.313 12.230 46 HA CYS 6 HA CYS 6 -1.977 0.170 10.772 47 1HB CYS 6 2HB CYS 6 -2.409 -2.218 10.457 48 2HB CYS 6 1HB CYS 6 -3.861 -1.844 9.568 49 H LEU 7 H LEU 7 -5.458 0.181 10.573 50 HA LEU 7 HA LEU 7 -5.617 1.822 8.156 51 1HB LEU 7 2HB LEU 7 -7.813 1.216 10.189 52 2HB LEU 7 1HB LEU 7 -8.035 1.774 8.548 53 HG LEU 7 HG LEU 7 -6.796 -0.919 9.295 54 1HD1 LEU 7 1HD1 LEU 7 -8.929 -1.870 8.461 55 2HD1 LEU 7 2HD1 LEU 7 -9.559 -0.251 8.199 56 3HD1 LEU 7 3HD1 LEU 7 -9.216 -0.809 9.828 57 1HD2 LEU 7 1HD2 LEU 7 -7.640 0.198 6.580 58 2HD2 LEU 7 2HD2 LEU 7 -7.034 -1.424 6.873 59 3HD2 LEU 7 3HD2 LEU 7 -5.979 -0.045 7.099 60 H ILE 8 H ILE 8 -5.779 2.308 11.618 61 HA ILE 8 HA ILE 8 -6.542 5.120 11.421 62 HB ILE 8 HB ILE 8 -5.454 3.516 13.791 63 1HG1 ILE 8 2HG1 ILE 8 -8.335 4.334 13.172 64 2HG1 ILE 8 1HG1 ILE 8 -7.703 2.761 12.752 65 1HG2 ILE 8 1HG2 ILE 8 -6.874 6.228 13.672 66 2HG2 ILE 8 2HG2 ILE 8 -5.167 6.010 14.021 67 3HG2 ILE 8 3HG2 ILE 8 -6.370 5.432 15.149 68 1HD1 ILE 8 1HD1 ILE 8 -7.180 2.329 15.152 69 2HD1 ILE 8 2HD1 ILE 8 -8.887 2.656 14.907 70 3HD1 ILE 8 3HD1 ILE 8 -7.847 3.898 15.578 71 HA PRO 9 HA PRO 9 -2.456 6.230 10.404 72 1HB PRO 9 2HB PRO 9 -2.584 8.978 10.607 73 2HB PRO 9 1HB PRO 9 -3.416 8.078 9.341 74 1HG PRO 9 2HG PRO 9 -4.544 9.295 11.840 75 2HG PRO 9 1HG PRO 9 -5.344 9.053 10.298 76 1HD PRO 9 2HD PRO 9 -5.699 7.459 12.521 77 2HD PRO 9 1HD PRO 9 -6.154 7.042 10.862 78 H ALA 10 H ALA 10 -3.639 7.917 13.225 79 HA ALA 10 HA ALA 10 -1.099 8.503 14.410 80 1HB ALA 10 1HB ALA 10 -3.186 9.646 15.076 81 2HB ALA 10 2HB ALA 10 -2.428 8.912 16.479 82 3HB ALA 10 3HB ALA 10 -3.819 8.143 15.729 83 H CYS 11 H CYS 11 -2.999 5.623 14.340 84 HA CYS 11 HA CYS 11 -1.561 4.368 16.588 85 1HB CYS 11 2HB CYS 11 -4.020 3.974 15.971 86 2HB CYS 11 1HB CYS 11 -3.433 3.014 14.652 87 H ARG 12 H ARG 12 -1.888 3.899 13.091 88 HA ARG 12 HA ARG 12 0.072 1.774 12.973 89 1HB ARG 12 2HB ARG 12 -0.158 1.920 10.584 90 2HB ARG 12 1HB ARG 12 -1.726 2.227 11.269 91 1HG ARG 12 2HG ARG 12 -1.629 3.857 9.607 92 2HG ARG 12 1HG ARG 12 -1.198 4.723 11.061 93 1HD ARG 12 2HD ARG 12 0.260 5.195 8.994 94 2HD ARG 12 1HD ARG 12 1.136 4.848 10.464 95 HE ARG 12 HE ARG 12 1.915 2.874 9.473 96 1HH1 ARG 12 2HH1 ARG 12 -0.865 4.042 7.760 97 2HH1 ARG 12 1HH1 ARG 12 -0.721 2.863 6.501 98 1HH2 ARG 12 1HH2 ARG 12 2.112 1.376 7.892 99 2HH2 ARG 12 2HH2 ARG 12 0.989 1.333 6.575 100 H ARG 13 H ARG 13 0.332 5.125 13.318 101 HA ARG 13 HA ARG 13 2.870 5.586 12.028 102 1HB ARG 13 2HB ARG 13 1.343 7.439 12.664 103 2HB ARG 13 1HB ARG 13 1.503 7.023 14.359 104 1HG ARG 13 2HG ARG 13 3.943 7.575 14.242 105 2HG ARG 13 1HG ARG 13 3.769 7.960 12.537 106 1HD ARG 13 2HD ARG 13 2.151 9.767 13.119 107 2HD ARG 13 1HD ARG 13 2.333 9.374 14.830 108 HE ARG 13 HE ARG 13 4.926 9.821 13.802 109 1HH1 ARG 13 2HH1 ARG 13 1.963 11.544 14.312 110 2HH1 ARG 13 1HH1 ARG 13 2.754 13.068 14.527 111 1HH2 ARG 13 1HH2 ARG 13 5.949 11.741 14.072 112 2HH2 ARG 13 2HH2 ARG 13 5.043 13.184 14.391 113 H ASN 14 H ASN 14 1.793 4.464 15.108 114 HA ASN 14 HA ASN 14 4.564 4.089 16.135 115 1HB ASN 14 2HB ASN 14 1.875 3.940 17.567 116 2HB ASN 14 1HB ASN 14 3.450 3.806 18.339 117 1HD2 ASN 14 1HD2 ASN 14 1.546 6.061 16.282 118 2HD2 ASN 14 2HD2 ASN 14 2.218 7.474 16.941 119 H HIS 15 H HIS 15 2.133 2.416 14.573 120 HA HIS 15 HA HIS 15 3.318 -0.204 15.350 121 1HB HIS 15 2HB HIS 15 0.329 0.398 15.172 122 2HB HIS 15 1HB HIS 15 1.023 -1.189 15.483 123 HD1 HIS 15 HD1 HIS 15 2.830 -0.948 17.653 124 HD2 HIS 15 HD2 HIS 15 -0.326 1.638 17.534 125 HE1 HIS 15 HE1 HIS 15 2.548 -0.090 19.950 126 H LYS 16 H LYS 16 3.959 1.250 13.124 127 HA LYS 16 HA LYS 16 2.510 0.616 10.781 128 1HB LYS 16 2HB LYS 16 4.531 2.283 11.205 129 2HB LYS 16 1HB LYS 16 5.548 0.911 10.868 130 1HG LYS 16 2HG LYS 16 3.553 2.241 8.988 131 2HG LYS 16 1HG LYS 16 5.287 2.238 8.839 132 1HD LYS 16 2HD LYS 16 3.470 -0.178 8.474 133 2HD LYS 16 1HD LYS 16 4.283 0.713 7.223 134 1HE LYS 16 2HE LYS 16 6.480 0.043 7.981 135 2HE LYS 16 1HE LYS 16 5.829 -0.744 9.408 136 1HZ LYS 16 1HZ LYS 16 4.800 -2.375 8.119 137 2HZ LYS 16 2HZ LYS 16 6.366 -2.209 7.481 138 3HZ LYS 16 3HZ LYS 16 5.041 -1.519 6.673 139 H LYS 17 H LYS 17 5.062 -0.894 12.569 140 HA LYS 17 HA LYS 17 5.712 -3.080 10.928 141 1HB LYS 17 2HB LYS 17 6.644 -4.061 13.064 142 2HB LYS 17 1HB LYS 17 7.059 -2.365 12.902 143 1HG LYS 17 2HG LYS 17 5.053 -1.784 14.349 144 2HG LYS 17 1HG LYS 17 4.767 -3.499 14.580 145 1HD LYS 17 2HD LYS 17 7.029 -3.738 15.598 146 2HD LYS 17 1HD LYS 17 7.297 -2.015 15.393 147 1HE LYS 17 2HE LYS 17 5.067 -3.261 17.066 148 2HE LYS 17 1HE LYS 17 6.524 -2.514 17.701 149 1HZ LYS 17 1HZ LYS 17 4.114 -1.300 16.820 150 2HZ LYS 17 2HZ LYS 17 5.459 -0.634 16.028 151 3HZ LYS 17 3HZ LYS 17 5.390 -0.640 17.723 152 H PHE 18 H PHE 18 2.991 -2.646 12.944 153 HA PHE 18 HA PHE 18 2.215 -5.359 13.353 154 1HB PHE 18 2HB PHE 18 1.182 -3.225 14.326 155 2HB PHE 18 1HB PHE 18 0.306 -3.054 12.827 156 HD1 PHE 18 HD1 PHE 18 0.761 -5.302 15.750 157 HD2 PHE 18 HD2 PHE 18 -1.565 -4.499 12.267 158 HE1 PHE 18 HE1 PHE 18 -0.907 -6.947 16.478 159 HE2 PHE 18 HE2 PHE 18 -3.225 -6.148 13.003 160 HZ PHE 18 HZ PHE 18 -2.904 -7.372 15.107 161 H CYS 19 H CYS 19 2.090 -3.239 10.756 162 HA CYS 19 HA CYS 19 1.023 -5.348 8.912 163 1HB CYS 19 2HB CYS 19 -0.423 -3.706 7.824 164 2HB CYS 19 1HB CYS 19 -0.795 -3.888 9.503 165 1HN NH2 20 1HT CYS 19 1.950 -1.942 8.142 166 2HN NH2 20 2HT CYS 19 3.243 -2.383 7.142 Start of MODEL 2 1 1H PHE 1 1H PHE 1 -9.919 -6.161 18.792 2 2H PHE 1 2H PHE 1 -9.691 -7.044 17.359 3 3H PHE 1 3H PHE 1 -10.685 -5.668 17.356 4 HA PHE 1 HA PHE 1 -8.896 -4.209 17.594 5 1HB PHE 1 2HB PHE 1 -7.665 -5.565 19.325 6 2HB PHE 1 1HB PHE 1 -7.220 -6.743 18.110 7 HD1 PHE 1 HD1 PHE 1 -5.254 -6.405 16.791 8 HD2 PHE 1 HD2 PHE 1 -6.839 -3.136 19.023 9 HE1 PHE 1 HE1 PHE 1 -3.263 -5.074 16.261 10 HE2 PHE 1 HE2 PHE 1 -4.843 -1.813 18.490 11 HZ PHE 1 HZ PHE 1 -3.054 -2.776 17.109 12 H ASN 2 H ASN 2 -7.467 -7.145 16.202 13 HA ASN 2 HA ASN 2 -6.814 -7.547 13.912 14 1HB ASN 2 2HB ASN 2 -9.317 -5.885 13.313 15 2HB ASN 2 1HB ASN 2 -8.540 -7.063 12.272 16 1HD2 ASN 2 1HD2 ASN 2 -9.034 -9.249 12.535 17 2HD2 ASN 2 2HD2 ASN 2 -10.109 -9.832 13.712 18 H TRP 3 H TRP 3 -7.395 -5.710 11.868 19 HA TRP 3 HA TRP 3 -5.077 -3.912 12.087 20 1HB TRP 3 2HB TRP 3 -6.655 -3.543 9.606 21 2HB TRP 3 1HB TRP 3 -5.018 -4.149 9.775 22 HD1 TRP 3 HD1 TRP 3 -4.686 -6.791 9.379 23 HE1 TRP 3 HE1 TRP 3 -6.343 -8.630 9.083 24 HE3 TRP 3 HE3 TRP 3 -8.960 -4.303 10.375 25 HZ2 TRP 3 HZ2 TRP 3 -9.162 -9.121 9.244 26 HZ3 TRP 3 HZ3 TRP 3 -11.136 -5.474 10.322 27 HH2 TRP 3 HH2 TRP 3 -11.231 -7.881 9.767 28 H ARG 4 H ARG 4 -8.140 -3.643 13.132 29 HA ARG 4 HA ARG 4 -9.221 -1.286 12.230 30 1HB ARG 4 2HB ARG 4 -9.073 -2.287 15.091 31 2HB ARG 4 1HB ARG 4 -10.042 -0.929 14.634 32 1HG ARG 4 2HG ARG 4 -10.407 -3.484 13.056 33 2HG ARG 4 1HG ARG 4 -11.091 -3.397 14.661 34 1HD ARG 4 2HD ARG 4 -12.709 -2.717 12.871 35 2HD ARG 4 1HD ARG 4 -12.464 -1.454 14.054 36 HE ARG 4 HE ARG 4 -11.449 -1.476 11.253 37 1HH1 ARG 4 2HH1 ARG 4 -11.803 0.192 14.291 38 2HH1 ARG 4 1HH1 ARG 4 -11.388 1.724 13.604 39 1HH2 ARG 4 1HH2 ARG 4 -10.924 0.467 10.399 40 2HH2 ARG 4 2HH2 ARG 4 -10.877 1.883 11.396 41 H CYS 5 H CYS 5 -6.588 -1.684 14.414 42 HA CYS 5 HA CYS 5 -6.267 1.153 15.050 43 1HB CYS 5 2HB CYS 5 -5.594 -0.850 16.469 44 2HB CYS 5 1HB CYS 5 -4.270 -1.105 15.377 45 H CYS 6 H CYS 6 -4.560 -1.255 13.129 46 HA CYS 6 HA CYS 6 -2.568 0.355 11.972 47 1HB CYS 6 2HB CYS 6 -4.025 -1.983 10.717 48 2HB CYS 6 1HB CYS 6 -2.506 -1.337 10.163 49 H LEU 7 H LEU 7 -5.934 0.387 11.275 50 HA LEU 7 HA LEU 7 -5.688 1.576 8.608 51 1HB LEU 7 2HB LEU 7 -8.040 1.259 10.535 52 2HB LEU 7 1HB LEU 7 -8.208 1.939 8.931 53 HG LEU 7 HG LEU 7 -7.097 -0.868 9.448 54 1HD1 LEU 7 1HD1 LEU 7 -9.902 -0.042 8.598 55 2HD1 LEU 7 2HD1 LEU 7 -9.464 -0.740 10.150 56 3HD1 LEU 7 3HD1 LEU 7 -9.304 -1.691 8.690 57 1HD2 LEU 7 1HD2 LEU 7 -6.404 0.132 7.265 58 2HD2 LEU 7 2HD2 LEU 7 -8.087 0.468 6.892 59 3HD2 LEU 7 3HD2 LEU 7 -7.526 -1.189 7.028 60 H ILE 8 H ILE 8 -5.898 2.602 11.876 61 HA ILE 8 HA ILE 8 -6.446 5.412 11.326 62 HB ILE 8 HB ILE 8 -5.397 4.094 13.893 63 1HG1 ILE 8 2HG1 ILE 8 -8.279 4.798 13.127 64 2HG1 ILE 8 1HG1 ILE 8 -7.633 3.176 13.023 65 1HG2 ILE 8 1HG2 ILE 8 -5.102 6.580 13.781 66 2HG2 ILE 8 2HG2 ILE 8 -6.284 6.157 14.993 67 3HG2 ILE 8 3HG2 ILE 8 -6.813 6.766 13.437 68 1HD1 ILE 8 1HD1 ILE 8 -7.842 4.817 15.584 69 2HD1 ILE 8 2HD1 ILE 8 -7.156 3.204 15.467 70 3HD1 ILE 8 3HD1 ILE 8 -8.859 3.462 15.132 71 HA PRO 9 HA PRO 9 -2.157 6.251 10.384 72 1HB PRO 9 2HB PRO 9 -2.137 8.992 10.628 73 2HB PRO 9 1HB PRO 9 -2.849 8.152 9.253 74 1HG PRO 9 2HG PRO 9 -4.212 9.368 11.637 75 2HG PRO 9 1HG PRO 9 -4.792 9.287 9.984 76 1HD PRO 9 2HD PRO 9 -5.666 7.636 11.981 77 2HD PRO 9 1HD PRO 9 -5.737 7.212 10.268 78 H ALA 10 H ALA 10 -3.658 7.676 13.152 79 HA ALA 10 HA ALA 10 -1.366 8.415 14.667 80 1HB ALA 10 1HB ALA 10 -2.911 8.398 16.619 81 2HB ALA 10 2HB ALA 10 -4.106 7.542 15.658 82 3HB ALA 10 3HB ALA 10 -3.641 9.181 15.228 83 H CYS 11 H CYS 11 -2.603 5.339 13.955 84 HA CYS 11 HA CYS 11 -1.179 4.005 16.212 85 1HB CYS 11 2HB CYS 11 -3.524 3.307 15.679 86 2HB CYS 11 1HB CYS 11 -2.971 2.888 14.084 87 H ARG 12 H ARG 12 -1.609 3.817 12.754 88 HA ARG 12 HA ARG 12 0.371 1.984 12.037 89 1HB ARG 12 2HB ARG 12 -1.160 2.529 10.360 90 2HB ARG 12 1HB ARG 12 -1.074 4.244 10.664 91 1HG ARG 12 2HG ARG 12 1.359 2.855 9.505 92 2HG ARG 12 1HG ARG 12 -0.001 3.205 8.459 93 1HD ARG 12 2HD ARG 12 0.099 5.590 8.992 94 2HD ARG 12 1HD ARG 12 1.344 5.335 10.194 95 HE ARG 12 HE ARG 12 2.034 4.440 7.488 96 1HH1 ARG 12 2HH1 ARG 12 2.115 6.971 9.871 97 2HH1 ARG 12 1HH1 ARG 12 3.450 7.777 9.124 98 1HH2 ARG 12 1HH2 ARG 12 3.728 5.469 6.533 99 2HH2 ARG 12 2HH2 ARG 12 4.374 6.921 7.220 100 H ARG 13 H ARG 13 0.685 5.382 12.685 101 HA ARG 13 HA ARG 13 3.338 5.756 11.663 102 1HB ARG 13 2HB ARG 13 3.397 7.780 13.080 103 2HB ARG 13 1HB ARG 13 1.840 7.637 12.291 104 1HG ARG 13 2HG ARG 13 0.909 6.602 14.392 105 2HG ARG 13 1HG ARG 13 2.466 6.847 15.159 106 1HD ARG 13 2HD ARG 13 2.292 9.295 14.803 107 2HD ARG 13 1HD ARG 13 0.710 9.060 14.057 108 HE ARG 13 HE ARG 13 0.911 7.844 16.696 109 1HH1 ARG 13 2HH1 ARG 13 0.301 10.774 14.946 110 2HH1 ARG 13 1HH1 ARG 13 -0.644 11.468 16.220 111 1HH2 ARG 13 1HH2 ARG 13 -0.278 8.702 18.316 112 2HH2 ARG 13 2HH2 ARG 13 -0.977 10.279 18.157 113 H ASN 14 H ASN 14 2.138 4.467 14.625 114 HA ASN 14 HA ASN 14 4.886 4.024 15.710 115 1HB ASN 14 2HB ASN 14 2.182 3.837 17.117 116 2HB ASN 14 1HB ASN 14 3.753 3.682 17.888 117 1HD2 ASN 14 1HD2 ASN 14 5.190 5.804 16.768 118 2HD2 ASN 14 2HD2 ASN 14 4.442 7.274 17.170 119 H HIS 15 H HIS 15 2.506 2.483 14.005 120 HA HIS 15 HA HIS 15 3.429 -0.223 14.875 121 1HB HIS 15 2HB HIS 15 0.599 0.632 14.074 122 2HB HIS 15 1HB HIS 15 1.075 -1.027 14.367 123 HD1 HIS 15 HD1 HIS 15 1.487 2.141 16.388 124 HD2 HIS 15 HD2 HIS 15 0.370 -1.749 16.894 125 HE1 HIS 15 HE1 HIS 15 0.938 1.885 18.774 126 H LYS 16 H LYS 16 4.586 1.327 12.832 127 HA LYS 16 HA LYS 16 3.703 0.883 10.235 128 1HB LYS 16 2HB LYS 16 6.513 1.054 11.385 129 2HB LYS 16 1HB LYS 16 6.243 1.006 9.663 130 1HG LYS 16 2HG LYS 16 5.137 3.113 11.589 131 2HG LYS 16 1HG LYS 16 6.518 3.337 10.545 132 1HD LYS 16 2HD LYS 16 3.658 2.848 9.565 133 2HD LYS 16 1HD LYS 16 4.497 4.379 9.575 134 1HE LYS 16 2HE LYS 16 6.182 3.509 7.986 135 2HE LYS 16 1HE LYS 16 5.406 1.931 7.996 136 1HZ LYS 16 1HZ LYS 16 4.712 4.259 6.548 137 2HZ LYS 16 2HZ LYS 16 3.392 3.666 7.434 138 3HZ LYS 16 3HZ LYS 16 4.200 2.654 6.339 139 H LYS 17 H LYS 17 6.457 -0.962 11.443 140 HA LYS 17 HA LYS 17 5.868 -3.160 9.656 141 1HB LYS 17 2HB LYS 17 8.219 -2.536 10.317 142 2HB LYS 17 1HB LYS 17 7.856 -2.915 11.985 143 1HG LYS 17 2HG LYS 17 9.118 -4.750 10.923 144 2HG LYS 17 1HG LYS 17 7.533 -5.306 11.402 145 1HD LYS 17 2HD LYS 17 6.742 -4.971 9.016 146 2HD LYS 17 1HD LYS 17 8.359 -4.450 8.579 147 1HE LYS 17 2HE LYS 17 8.026 -6.836 8.026 148 2HE LYS 17 1HE LYS 17 9.227 -6.696 9.302 149 1HZ LYS 17 1HZ LYS 17 7.307 -8.377 9.520 150 2HZ LYS 17 2HZ LYS 17 6.394 -7.026 10.001 151 3HZ LYS 17 3HZ LYS 17 7.781 -7.468 10.876 152 H PHE 18 H PHE 18 4.984 -2.341 12.811 153 HA PHE 18 HA PHE 18 4.444 -4.849 14.017 154 1HB PHE 18 2HB PHE 18 4.275 -2.490 15.016 155 2HB PHE 18 1HB PHE 18 2.730 -2.359 14.220 156 HD1 PHE 18 HD1 PHE 18 0.789 -3.681 14.925 157 HD2 PHE 18 HD2 PHE 18 4.521 -4.043 16.954 158 HE1 PHE 18 HE1 PHE 18 -0.326 -4.846 16.772 159 HE2 PHE 18 HE2 PHE 18 3.401 -5.209 18.799 160 HZ PHE 18 HZ PHE 18 0.976 -5.613 18.712 161 H CYS 19 H CYS 19 2.895 -2.949 11.685 162 HA CYS 19 HA CYS 19 0.573 -4.807 11.351 163 1HB CYS 19 2HB CYS 19 1.089 -2.060 10.176 164 2HB CYS 19 1HB CYS 19 -0.361 -2.996 9.940 165 1HN NH2 20 1HT CYS 19 0.076 -5.573 9.138 166 2HN NH2 20 2HT CYS 19 1.319 -5.737 7.995 Start of MODEL 3 1 1H PHE 1 1H PHE 1 -8.713 -5.215 18.477 2 2H PHE 1 2H PHE 1 -9.388 -3.694 18.138 3 3H PHE 1 3H PHE 1 -8.633 -3.973 19.634 4 HA PHE 1 HA PHE 1 -7.334 -2.671 17.914 5 1HB PHE 1 2HB PHE 1 -6.268 -3.693 19.947 6 2HB PHE 1 1HB PHE 1 -6.186 -5.251 19.148 7 HD1 PHE 1 HD1 PHE 1 -4.291 -5.784 17.802 8 HD2 PHE 1 HD2 PHE 1 -5.002 -1.713 18.849 9 HE1 PHE 1 HE1 PHE 1 -2.125 -5.156 16.850 10 HE2 PHE 1 HE2 PHE 1 -2.830 -1.094 17.894 11 HZ PHE 1 HZ PHE 1 -1.386 -2.813 16.891 12 H ASN 2 H ASN 2 -6.450 -6.068 17.393 13 HA ASN 2 HA ASN 2 -6.014 -7.180 15.293 14 1HB ASN 2 2HB ASN 2 -8.410 -5.535 14.356 15 2HB ASN 2 1HB ASN 2 -7.856 -7.084 13.747 16 1HD2 ASN 2 1HD2 ASN 2 -8.513 -8.977 14.807 17 2HD2 ASN 2 2HD2 ASN 2 -9.530 -8.977 16.167 18 H TRP 3 H TRP 3 -6.745 -5.897 12.863 19 HA TRP 3 HA TRP 3 -4.279 -4.361 12.313 20 1HB TRP 3 2HB TRP 3 -6.060 -4.633 9.966 21 2HB TRP 3 1HB TRP 3 -4.467 -5.326 10.204 22 HD1 TRP 3 HD1 TRP 3 -4.385 -7.983 10.573 23 HE1 TRP 3 HE1 TRP 3 -6.193 -9.644 10.999 24 HE3 TRP 3 HE3 TRP 3 -8.320 -4.883 11.158 25 HZ2 TRP 3 HZ2 TRP 3 -9.005 -9.772 11.557 26 HZ3 TRP 3 HZ3 TRP 3 -10.567 -5.783 11.661 27 HH2 TRP 3 HH2 TRP 3 -10.902 -8.224 11.867 28 H ARG 4 H ARG 4 -7.165 -3.569 13.491 29 HA ARG 4 HA ARG 4 -8.199 -1.445 11.998 30 1HB ARG 4 2HB ARG 4 -7.952 -1.599 15.019 31 2HB ARG 4 1HB ARG 4 -8.959 -0.489 14.145 32 1HG ARG 4 2HG ARG 4 -10.308 -2.293 13.196 33 2HG ARG 4 1HG ARG 4 -9.214 -3.517 13.806 34 1HD ARG 4 2HD ARG 4 -11.219 -3.353 15.250 35 2HD ARG 4 1HD ARG 4 -9.791 -2.852 16.149 36 HE ARG 4 HE ARG 4 -11.064 -0.599 14.857 37 1HH1 ARG 4 2HH1 ARG 4 -11.244 -2.769 17.550 38 2HH1 ARG 4 1HH1 ARG 4 -12.089 -1.639 18.553 39 1HH2 ARG 4 1HH2 ARG 4 -12.134 0.852 16.108 40 2HH2 ARG 4 2HH2 ARG 4 -12.600 0.442 17.725 41 H CYS 5 H CYS 5 -5.549 -1.607 14.164 42 HA CYS 5 HA CYS 5 -4.858 1.148 14.386 43 1HB CYS 5 2HB CYS 5 -4.085 -0.873 15.734 44 2HB CYS 5 1HB CYS 5 -2.945 -1.182 14.465 45 H CYS 6 H CYS 6 -3.730 -1.371 12.212 46 HA CYS 6 HA CYS 6 -1.785 0.110 10.717 47 1HB CYS 6 2HB CYS 6 -1.993 -2.282 10.407 48 2HB CYS 6 1HB CYS 6 -3.584 -2.086 9.694 49 H LEU 7 H LEU 7 -5.270 0.021 10.545 50 HA LEU 7 HA LEU 7 -5.489 1.476 8.022 51 1HB LEU 7 2HB LEU 7 -7.603 0.912 10.139 52 2HB LEU 7 1HB LEU 7 -7.915 1.454 8.505 53 HG LEU 7 HG LEU 7 -6.555 -1.199 9.199 54 1HD1 LEU 7 1HD1 LEU 7 -9.412 -0.636 8.298 55 2HD1 LEU 7 2HD1 LEU 7 -8.937 -1.162 9.905 56 3HD1 LEU 7 3HD1 LEU 7 -8.711 -2.230 8.534 57 1HD2 LEU 7 1HD2 LEU 7 -5.934 -0.323 6.941 58 2HD2 LEU 7 2HD2 LEU 7 -7.636 -0.138 6.547 59 3HD2 LEU 7 3HD2 LEU 7 -6.959 -1.737 6.808 60 H ILE 8 H ILE 8 -5.776 2.266 11.435 61 HA ILE 8 HA ILE 8 -6.531 5.044 10.908 62 HB ILE 8 HB ILE 8 -5.560 3.735 13.503 63 1HG1 ILE 8 2HG1 ILE 8 -8.423 4.410 12.677 64 2HG1 ILE 8 1HG1 ILE 8 -7.752 2.816 12.439 65 1HG2 ILE 8 1HG2 ILE 8 -5.340 6.256 13.435 66 2HG2 ILE 8 2HG2 ILE 8 -6.576 5.777 14.573 67 3HG2 ILE 8 3HG2 ILE 8 -7.033 6.376 12.993 68 1HD1 ILE 8 1HD1 ILE 8 -8.015 4.233 15.129 69 2HD1 ILE 8 2HD1 ILE 8 -7.301 2.645 14.890 70 3HD1 ILE 8 3HD1 ILE 8 -9.006 2.903 14.558 71 HA PRO 9 HA PRO 9 -2.270 6.167 10.239 72 1HB PRO 9 2HB PRO 9 -2.474 8.914 10.378 73 2HB PRO 9 1HB PRO 9 -3.025 7.979 8.991 74 1HG PRO 9 2HG PRO 9 -4.645 9.170 11.227 75 2HG PRO 9 1HG PRO 9 -5.108 8.967 9.550 76 1HD PRO 9 2HD PRO 9 -5.961 7.335 11.565 77 2HD PRO 9 1HD PRO 9 -5.915 6.863 9.863 78 H ALA 10 H ALA 10 -3.997 7.940 12.682 79 HA ALA 10 HA ALA 10 -1.888 8.683 14.399 80 1HB ALA 10 1HB ALA 10 -3.674 8.964 16.114 81 2HB ALA 10 2HB ALA 10 -4.782 8.063 15.091 82 3HB ALA 10 3HB ALA 10 -4.156 9.614 14.555 83 H CYS 11 H CYS 11 -3.087 5.548 13.889 84 HA CYS 11 HA CYS 11 -1.933 4.563 16.475 85 1HB CYS 11 2HB CYS 11 -4.355 4.047 15.810 86 2HB CYS 11 1HB CYS 11 -3.688 3.022 14.581 87 H ARG 12 H ARG 12 -2.066 4.121 13.042 88 HA ARG 12 HA ARG 12 -0.314 1.912 12.742 89 1HB ARG 12 2HB ARG 12 -1.742 2.738 10.933 90 2HB ARG 12 1HB ARG 12 -0.866 4.241 10.858 91 1HG ARG 12 2HG ARG 12 0.674 1.655 10.504 92 2HG ARG 12 1HG ARG 12 -0.391 2.136 9.205 93 1HD ARG 12 2HD ARG 12 1.781 3.989 10.308 94 2HD ARG 12 1HD ARG 12 1.990 2.926 8.931 95 HE ARG 12 HE ARG 12 0.402 4.201 7.681 96 1HH1 ARG 12 2HH1 ARG 12 0.943 5.494 10.867 97 2HH1 ARG 12 1HH1 ARG 12 0.239 7.022 10.461 98 1HH2 ARG 12 1HH2 ARG 12 -0.483 6.122 7.184 99 2HH2 ARG 12 2HH2 ARG 12 -0.576 7.384 8.368 100 H ARG 13 H ARG 13 0.384 5.253 13.395 101 HA ARG 13 HA ARG 13 3.190 5.168 12.654 102 1HB ARG 13 2HB ARG 13 1.689 7.029 14.545 103 2HB ARG 13 1HB ARG 13 3.372 7.245 14.099 104 1HG ARG 13 2HG ARG 13 2.686 7.372 11.686 105 2HG ARG 13 1HG ARG 13 1.014 7.229 12.190 106 1HD ARG 13 2HD ARG 13 1.553 9.594 11.831 107 2HD ARG 13 1HD ARG 13 1.237 9.319 13.543 108 HE ARG 13 HE ARG 13 4.012 8.964 13.144 109 1HH1 ARG 13 2HH1 ARG 13 1.622 11.462 12.900 110 2HH1 ARG 13 1HH1 ARG 13 2.748 12.728 13.254 111 1HH2 ARG 13 1HH2 ARG 13 5.451 10.548 13.595 112 2HH2 ARG 13 2HH2 ARG 13 4.949 12.205 13.655 113 H ASN 14 H ASN 14 1.388 4.360 15.494 114 HA ASN 14 HA ASN 14 3.501 4.286 17.410 115 1HB ASN 14 2HB ASN 14 0.890 2.710 17.347 116 2HB ASN 14 1HB ASN 14 1.935 2.870 18.745 117 1HD2 ASN 14 1HD2 ASN 14 0.309 5.021 16.334 118 2HD2 ASN 14 2HD2 ASN 14 -0.096 6.213 17.472 119 H HIS 15 H HIS 15 2.775 2.122 14.851 120 HA HIS 15 HA HIS 15 4.918 0.299 15.822 121 1HB HIS 15 2HB HIS 15 3.545 -1.706 15.211 122 2HB HIS 15 1HB HIS 15 2.803 -0.787 16.509 123 HD1 HIS 15 HD1 HIS 15 2.316 -1.548 12.904 124 HD2 HIS 15 HD2 HIS 15 0.359 0.451 15.872 125 HE1 HIS 15 HE1 HIS 15 0.066 -1.042 12.028 126 H LYS 16 H LYS 16 2.695 0.804 13.143 127 HA LYS 16 HA LYS 16 2.952 0.895 10.851 128 1HB LYS 16 2HB LYS 16 4.754 2.564 11.579 129 2HB LYS 16 1HB LYS 16 5.920 1.263 11.425 130 1HG LYS 16 2HG LYS 16 5.431 1.024 9.021 131 2HG LYS 16 1HG LYS 16 4.155 2.216 9.137 132 1HD LYS 16 2HD LYS 16 6.169 3.256 8.212 133 2HD LYS 16 1HD LYS 16 5.846 3.938 9.791 134 1HE LYS 16 2HE LYS 16 8.267 3.411 9.489 135 2HE LYS 16 1HE LYS 16 7.594 2.460 10.800 136 1HZ LYS 16 1HZ LYS 16 7.482 0.569 9.435 137 2HZ LYS 16 2HZ LYS 16 9.017 1.245 9.170 138 3HZ LYS 16 3HZ LYS 16 7.783 1.461 8.022 139 H LYS 17 H LYS 17 4.341 -1.483 12.707 140 HA LYS 17 HA LYS 17 5.210 -3.128 10.398 141 1HB LYS 17 2HB LYS 17 5.618 -3.502 13.394 142 2HB LYS 17 1HB LYS 17 6.268 -4.577 12.170 143 1HG LYS 17 2HG LYS 17 7.625 -2.762 11.211 144 2HG LYS 17 1HG LYS 17 6.952 -1.603 12.332 145 1HD LYS 17 2HD LYS 17 8.580 -4.050 13.149 146 2HD LYS 17 1HD LYS 17 9.222 -2.428 13.010 147 1HE LYS 17 2HE LYS 17 7.631 -1.643 14.775 148 2HE LYS 17 1HE LYS 17 7.013 -3.280 14.944 149 1HZ LYS 17 1HZ LYS 17 9.171 -4.033 15.595 150 2HZ LYS 17 2HZ LYS 17 8.679 -2.751 16.595 151 3HZ LYS 17 3HZ LYS 17 9.827 -2.482 15.372 152 H PHE 18 H PHE 18 2.715 -2.938 12.767 153 HA PHE 18 HA PHE 18 1.869 -5.657 12.779 154 1HB PHE 18 2HB PHE 18 0.967 -3.682 14.174 155 2HB PHE 18 1HB PHE 18 -0.001 -3.266 12.781 156 HD1 PHE 18 HD1 PHE 18 -1.819 -4.733 11.979 157 HD2 PHE 18 HD2 PHE 18 0.458 -5.785 15.426 158 HE1 PHE 18 HE1 PHE 18 -3.473 -6.449 12.556 159 HE2 PHE 18 HE2 PHE 18 -1.204 -7.495 15.996 160 HZ PHE 18 HZ PHE 18 -3.174 -7.829 14.562 161 H CYS 19 H CYS 19 1.590 -3.078 10.612 162 HA CYS 19 HA CYS 19 -0.459 -4.019 8.836 163 1HB CYS 19 2HB CYS 19 1.951 -2.273 8.274 164 2HB CYS 19 1HB CYS 19 0.668 -2.556 7.128 165 1HN NH2 20 1HT CYS 19 3.102 -4.483 8.720 166 2HN NH2 20 2HT CYS 19 3.059 -5.775 7.619 Start of MODEL 4 1 1H PHE 1 1H PHE 1 -8.448 -2.710 19.271 2 2H PHE 1 2H PHE 1 -8.754 -4.060 18.286 3 3H PHE 1 3H PHE 1 -9.176 -2.506 17.750 4 HA PHE 1 HA PHE 1 -7.001 -1.880 17.367 5 1HB PHE 1 2HB PHE 1 -6.086 -2.767 19.560 6 2HB PHE 1 1HB PHE 1 -6.237 -4.409 18.975 7 HD1 PHE 1 HD1 PHE 1 -4.623 -5.309 17.347 8 HD2 PHE 1 HD2 PHE 1 -4.331 -1.260 18.651 9 HE1 PHE 1 HE1 PHE 1 -2.391 -5.159 16.369 10 HE2 PHE 1 HE2 PHE 1 -2.087 -1.121 17.676 11 HZ PHE 1 HZ PHE 1 -1.107 -3.063 16.535 12 H ASN 2 H ASN 2 -6.774 -5.419 17.391 13 HA ASN 2 HA ASN 2 -6.485 -6.884 15.477 14 1HB ASN 2 2HB ASN 2 -8.687 -5.064 14.389 15 2HB ASN 2 1HB ASN 2 -8.346 -6.723 13.918 16 1HD2 ASN 2 1HD2 ASN 2 -9.356 -4.780 16.751 17 2HD2 ASN 2 2HD2 ASN 2 -10.239 -6.034 17.481 18 H TRP 3 H TRP 3 -7.124 -5.834 12.885 19 HA TRP 3 HA TRP 3 -4.477 -4.691 12.187 20 1HB TRP 3 2HB TRP 3 -6.347 -5.067 9.891 21 2HB TRP 3 1HB TRP 3 -4.788 -5.829 10.152 22 HD1 TRP 3 HD1 TRP 3 -4.829 -8.414 10.950 23 HE1 TRP 3 HE1 TRP 3 -6.733 -9.900 11.565 24 HE3 TRP 3 HE3 TRP 3 -8.593 -5.058 11.012 25 HZ2 TRP 3 HZ2 TRP 3 -9.554 -9.798 12.075 26 HZ3 TRP 3 HZ3 TRP 3 -10.894 -5.757 11.584 27 HH2 TRP 3 HH2 TRP 3 -11.368 -8.123 12.122 28 H ARG 4 H ARG 4 -7.518 -3.684 13.006 29 HA ARG 4 HA ARG 4 -8.169 -1.552 11.338 30 1HB ARG 4 2HB ARG 4 -9.441 -2.462 13.389 31 2HB ARG 4 1HB ARG 4 -8.413 -1.447 14.356 32 1HG ARG 4 2HG ARG 4 -10.474 -0.237 13.978 33 2HG ARG 4 1HG ARG 4 -9.132 0.592 13.224 34 1HD ARG 4 2HD ARG 4 -9.817 -0.371 10.989 35 2HD ARG 4 1HD ARG 4 -11.149 -1.197 11.785 36 HE ARG 4 HE ARG 4 -12.303 0.837 11.866 37 1HH1 ARG 4 2HH1 ARG 4 -8.938 1.389 11.254 38 2HH1 ARG 4 1HH1 ARG 4 -9.154 3.078 10.941 39 1HH2 ARG 4 1HH2 ARG 4 -12.599 2.973 11.485 40 2HH2 ARG 4 2HH2 ARG 4 -11.256 3.989 11.079 41 H CYS 5 H CYS 5 -5.885 -1.859 13.821 42 HA CYS 5 HA CYS 5 -5.085 0.793 14.363 43 1HB CYS 5 2HB CYS 5 -4.283 -1.235 15.520 44 2HB CYS 5 1HB CYS 5 -3.340 -1.661 14.130 45 H CYS 6 H CYS 6 -3.937 -1.422 11.949 46 HA CYS 6 HA CYS 6 -1.966 0.150 10.658 47 1HB CYS 6 2HB CYS 6 -2.515 -2.292 10.255 48 2HB CYS 6 1HB CYS 6 -3.843 -1.772 9.256 49 H LEU 7 H LEU 7 -5.443 0.133 10.341 50 HA LEU 7 HA LEU 7 -5.535 1.953 8.056 51 1HB LEU 7 2HB LEU 7 -7.700 0.921 9.944 52 2HB LEU 7 1HB LEU 7 -8.040 2.020 8.640 53 HG LEU 7 HG LEU 7 -8.605 -0.292 8.058 54 1HD1 LEU 7 1HD1 LEU 7 -7.398 -0.430 5.884 55 2HD1 LEU 7 2HD1 LEU 7 -6.218 0.736 6.448 56 3HD1 LEU 7 3HD1 LEU 7 -7.893 1.218 6.225 57 1HD2 LEU 7 1HD2 LEU 7 -6.969 -1.504 9.402 58 2HD2 LEU 7 2HD2 LEU 7 -5.660 -0.963 8.358 59 3HD2 LEU 7 3HD2 LEU 7 -6.902 -2.023 7.730 60 H ILE 8 H ILE 8 -5.748 2.222 11.540 61 HA ILE 8 HA ILE 8 -6.612 5.010 11.494 62 HB ILE 8 HB ILE 8 -5.461 3.335 13.785 63 1HG1 ILE 8 2HG1 ILE 8 -8.367 4.066 13.176 64 2HG1 ILE 8 1HG1 ILE 8 -7.660 2.529 12.745 65 1HG2 ILE 8 1HG2 ILE 8 -5.261 5.828 14.131 66 2HG2 ILE 8 2HG2 ILE 8 -6.432 5.151 15.237 67 3HG2 ILE 8 3HG2 ILE 8 -6.978 5.995 13.802 68 1HD1 ILE 8 1HD1 ILE 8 -7.161 2.067 15.134 69 2HD1 ILE 8 2HD1 ILE 8 -8.875 2.340 14.875 70 3HD1 ILE 8 3HD1 ILE 8 -7.888 3.602 15.586 71 HA PRO 9 HA PRO 9 -2.535 6.340 10.620 72 1HB PRO 9 2HB PRO 9 -2.785 9.062 10.945 73 2HB PRO 9 1HB PRO 9 -3.550 8.189 9.620 74 1HG PRO 9 2HG PRO 9 -4.782 9.226 12.153 75 2HG PRO 9 1HG PRO 9 -5.534 9.046 10.579 76 1HD PRO 9 2HD PRO 9 -5.881 7.319 12.695 77 2HD PRO 9 1HD PRO 9 -6.280 6.969 11.004 78 H ALA 10 H ALA 10 -3.914 7.489 13.587 79 HA ALA 10 HA ALA 10 -1.410 8.249 14.839 80 1HB ALA 10 1HB ALA 10 -4.130 7.635 16.063 81 2HB ALA 10 2HB ALA 10 -3.575 9.219 15.542 82 3HB ALA 10 3HB ALA 10 -2.799 8.421 16.900 83 H CYS 11 H CYS 11 -3.138 5.289 14.463 84 HA CYS 11 HA CYS 11 -1.656 3.922 16.627 85 1HB CYS 11 2HB CYS 11 -4.107 3.505 15.966 86 2HB CYS 11 1HB CYS 11 -3.475 2.640 14.605 87 H ARG 12 H ARG 12 -1.955 3.791 13.102 88 HA ARG 12 HA ARG 12 0.002 1.713 12.715 89 1HB ARG 12 2HB ARG 12 0.020 2.426 10.343 90 2HB ARG 12 1HB ARG 12 -1.617 2.389 10.952 91 1HG ARG 12 2HG ARG 12 -1.665 4.419 9.872 92 2HG ARG 12 1HG ARG 12 -1.197 4.926 11.479 93 1HD ARG 12 2HD ARG 12 1.242 4.943 10.717 94 2HD ARG 12 1HD ARG 12 0.669 4.591 9.100 95 HE ARG 12 HE ARG 12 0.487 7.135 10.494 96 1HH1 ARG 12 2HH1 ARG 12 -0.939 5.128 8.051 97 2HH1 ARG 12 1HH1 ARG 12 -1.642 6.466 7.208 98 1HH2 ARG 12 1HH2 ARG 12 -0.394 8.834 9.446 99 2HH2 ARG 12 2HH2 ARG 12 -1.329 8.595 8.007 100 H ARG 13 H ARG 13 0.250 4.995 13.554 101 HA ARG 13 HA ARG 13 2.870 5.626 12.564 102 1HB ARG 13 2HB ARG 13 1.271 7.337 13.422 103 2HB ARG 13 1HB ARG 13 1.362 6.641 15.026 104 1HG ARG 13 2HG ARG 13 3.805 7.201 15.110 105 2HG ARG 13 1HG ARG 13 3.688 7.899 13.501 106 1HD ARG 13 2HD ARG 13 2.033 9.560 14.345 107 2HD ARG 13 1HD ARG 13 2.139 8.845 15.955 108 HE ARG 13 HE ARG 13 4.769 9.515 15.098 109 1HH1 ARG 13 2HH1 ARG 13 1.774 11.001 16.010 110 2HH1 ARG 13 1HH1 ARG 13 2.536 12.434 16.611 111 1HH2 ARG 13 1HH2 ARG 13 5.757 11.321 15.854 112 2HH2 ARG 13 2HH2 ARG 13 4.825 12.619 16.522 113 H ASN 14 H ASN 14 1.588 4.144 15.426 114 HA ASN 14 HA ASN 14 4.271 3.498 16.530 115 1HB ASN 14 2HB ASN 14 1.485 3.158 17.728 116 2HB ASN 14 1HB ASN 14 3.001 2.894 18.579 117 1HD2 ASN 14 1HD2 ASN 14 1.183 5.441 16.819 118 2HD2 ASN 14 2HD2 ASN 14 1.821 6.736 17.713 119 H HIS 15 H HIS 15 2.100 2.197 14.449 120 HA HIS 15 HA HIS 15 3.099 -0.564 14.876 121 1HB HIS 15 2HB HIS 15 0.172 0.263 14.574 122 2HB HIS 15 1HB HIS 15 0.703 -1.401 14.435 123 HD1 HIS 15 HD1 HIS 15 1.749 -2.399 16.653 124 HD2 HIS 15 HD2 HIS 15 -0.076 1.209 17.208 125 HE1 HIS 15 HE1 HIS 15 1.429 -2.148 19.085 126 H LYS 16 H LYS 16 4.140 1.115 13.089 127 HA LYS 16 HA LYS 16 2.979 1.227 10.539 128 1HB LYS 16 2HB LYS 16 4.883 2.635 11.236 129 2HB LYS 16 1HB LYS 16 5.912 1.232 11.389 130 1HG LYS 16 2HG LYS 16 6.400 2.383 9.282 131 2HG LYS 16 1HG LYS 16 5.701 0.821 8.921 132 1HD LYS 16 2HD LYS 16 3.477 1.897 8.548 133 2HD LYS 16 1HD LYS 16 4.165 3.461 8.951 134 1HE LYS 16 2HE LYS 16 5.730 3.253 7.019 135 2HE LYS 16 1HE LYS 16 5.038 1.683 6.631 136 1HZ LYS 16 1HZ LYS 16 4.010 3.283 5.268 137 2HZ LYS 16 2HZ LYS 16 3.678 4.307 6.582 138 3HZ LYS 16 3HZ LYS 16 2.863 2.825 6.434 139 H LYS 17 H LYS 17 5.873 -0.693 11.143 140 HA LYS 17 HA LYS 17 5.160 -2.617 9.078 141 1HB LYS 17 2HB LYS 17 7.359 -2.791 11.205 142 2HB LYS 17 1HB LYS 17 7.300 -3.719 9.722 143 1HG LYS 17 2HG LYS 17 7.599 -0.684 9.901 144 2HG LYS 17 1HG LYS 17 8.881 -1.818 9.539 145 1HD LYS 17 2HD LYS 17 7.688 -2.528 7.463 146 2HD LYS 17 1HD LYS 17 6.392 -1.397 7.815 147 1HE LYS 17 2HE LYS 17 7.954 -0.398 6.199 148 2HE LYS 17 1HE LYS 17 8.004 0.499 7.708 149 1HZ LYS 17 1HZ LYS 17 9.893 -1.693 7.127 150 2HZ LYS 17 2HZ LYS 17 10.021 -0.469 8.297 151 3HZ LYS 17 3HZ LYS 17 10.190 -0.089 6.651 152 H PHE 18 H PHE 18 4.448 -2.237 12.304 153 HA PHE 18 HA PHE 18 4.180 -4.892 13.284 154 1HB PHE 18 2HB PHE 18 3.990 -2.629 14.502 155 2HB PHE 18 1HB PHE 18 2.360 -2.558 13.893 156 HD1 PHE 18 HD1 PHE 18 4.545 -4.208 16.315 157 HD2 PHE 18 HD2 PHE 18 0.626 -4.171 14.634 158 HE1 PHE 18 HE1 PHE 18 3.732 -5.591 18.169 159 HE2 PHE 18 HE2 PHE 18 -0.177 -5.556 16.492 160 HZ PHE 18 HZ PHE 18 1.370 -6.268 18.262 161 H CYS 19 H CYS 19 2.349 -2.882 11.264 162 HA CYS 19 HA CYS 19 -0.224 -3.936 11.151 163 1HB CYS 19 2HB CYS 19 0.472 -2.007 9.826 164 2HB CYS 19 1HB CYS 19 1.492 -3.003 8.827 165 1HN NH2 20 1HT CYS 19 -1.220 -5.774 10.256 166 2HN NH2 20 2HT CYS 19 -0.374 -7.043 9.510 Start of MODEL 5 1 1H PHE 1 1H PHE 1 -8.023 -5.267 19.223 2 2H PHE 1 2H PHE 1 -7.849 -6.309 17.892 3 3H PHE 1 3H PHE 1 -8.974 -5.038 17.834 4 HA PHE 1 HA PHE 1 -7.362 -3.417 17.624 5 1HB PHE 1 2HB PHE 1 -5.864 -4.319 19.462 6 2HB PHE 1 1HB PHE 1 -5.330 -5.607 18.401 7 HD1 PHE 1 HD1 PHE 1 -5.249 -1.944 18.961 8 HD2 PHE 1 HD2 PHE 1 -3.684 -5.165 16.652 9 HE1 PHE 1 HE1 PHE 1 -3.512 -0.466 18.064 10 HE2 PHE 1 HE2 PHE 1 -1.953 -3.675 15.756 11 HZ PHE 1 HZ PHE 1 -1.861 -1.327 16.463 12 H ASN 2 H ASN 2 -5.689 -6.399 16.650 13 HA ASN 2 HA ASN 2 -5.087 -7.090 14.405 14 1HB ASN 2 2HB ASN 2 -7.892 -6.052 13.805 15 2HB ASN 2 1HB ASN 2 -7.001 -7.301 12.951 16 1HD2 ASN 2 1HD2 ASN 2 -8.569 -6.580 16.065 17 2HD2 ASN 2 2HD2 ASN 2 -8.808 -8.204 16.500 18 H TRP 3 H TRP 3 -6.314 -5.764 12.191 19 HA TRP 3 HA TRP 3 -4.386 -3.546 11.831 20 1HB TRP 3 2HB TRP 3 -6.099 -4.032 9.458 21 2HB TRP 3 1HB TRP 3 -4.367 -4.265 9.602 22 HD1 TRP 3 HD1 TRP 3 -3.532 -6.812 9.604 23 HE1 TRP 3 HE1 TRP 3 -4.776 -8.960 9.825 24 HE3 TRP 3 HE3 TRP 3 -8.149 -5.064 10.645 25 HZ2 TRP 3 HZ2 TRP 3 -7.404 -9.953 10.395 26 HZ3 TRP 3 HZ3 TRP 3 -10.022 -6.624 11.048 27 HH2 TRP 3 HH2 TRP 3 -9.643 -9.065 10.930 28 H ARG 4 H ARG 4 -7.287 -3.762 13.141 29 HA ARG 4 HA ARG 4 -8.973 -1.864 11.934 30 1HB ARG 4 2HB ARG 4 -8.567 -2.322 14.911 31 2HB ARG 4 1HB ARG 4 -9.912 -1.505 14.181 32 1HG ARG 4 2HG ARG 4 -10.709 -3.502 13.081 33 2HG ARG 4 1HG ARG 4 -9.222 -4.372 13.399 34 1HD ARG 4 2HD ARG 4 -11.028 -5.086 14.956 35 2HD ARG 4 1HD ARG 4 -9.706 -4.329 15.835 36 HE ARG 4 HE ARG 4 -11.865 -2.501 15.047 37 1HH1 ARG 4 2HH1 ARG 4 -10.578 -4.629 17.472 38 2HH1 ARG 4 1HH1 ARG 4 -11.463 -3.875 18.754 39 1HH2 ARG 4 1HH2 ARG 4 -12.989 -1.542 16.659 40 2HH2 ARG 4 2HH2 ARG 4 -12.846 -2.105 18.291 41 H CYS 5 H CYS 5 -6.332 -1.565 14.077 42 HA CYS 5 HA CYS 5 -6.425 1.361 14.308 43 1HB CYS 5 2HB CYS 5 -5.453 -0.743 15.847 44 2HB CYS 5 1HB CYS 5 -3.997 -0.039 15.212 45 H CYS 6 H CYS 6 -4.838 -1.051 12.401 46 HA CYS 6 HA CYS 6 -2.601 0.453 11.427 47 1HB CYS 6 2HB CYS 6 -2.960 -2.005 11.140 48 2HB CYS 6 1HB CYS 6 -4.152 -1.658 9.917 49 H LEU 7 H LEU 7 -5.960 0.561 10.785 50 HA LEU 7 HA LEU 7 -5.808 1.932 8.204 51 1HB LEU 7 2HB LEU 7 -8.117 1.602 10.182 52 2HB LEU 7 1HB LEU 7 -8.287 2.225 8.554 53 HG LEU 7 HG LEU 7 -7.230 -0.573 9.185 54 1HD1 LEU 7 1HD1 LEU 7 -9.471 -1.364 8.464 55 2HD1 LEU 7 2HD1 LEU 7 -10.011 0.298 8.285 56 3HD1 LEU 7 3HD1 LEU 7 -9.607 -0.331 9.875 57 1HD2 LEU 7 1HD2 LEU 7 -6.506 0.327 6.969 58 2HD2 LEU 7 2HD2 LEU 7 -8.179 0.680 6.570 59 3HD2 LEU 7 3HD2 LEU 7 -7.652 -0.982 6.776 60 H ILE 8 H ILE 8 -6.049 2.704 11.582 61 HA ILE 8 HA ILE 8 -6.539 5.550 11.163 62 HB ILE 8 HB ILE 8 -5.560 4.159 13.722 63 1HG1 ILE 8 2HG1 ILE 8 -8.436 4.804 12.872 64 2HG1 ILE 8 1HG1 ILE 8 -7.745 3.200 12.755 65 1HG2 ILE 8 1HG2 ILE 8 -5.295 6.646 13.624 66 2HG2 ILE 8 2HG2 ILE 8 -6.532 6.225 14.784 67 3HG2 ILE 8 3HG2 ILE 8 -6.987 6.817 13.197 68 1HD1 ILE 8 1HD1 ILE 8 -7.350 3.170 15.202 69 2HD1 ILE 8 2HD1 ILE 8 -9.045 3.405 14.819 70 3HD1 ILE 8 3HD1 ILE 8 -8.070 4.765 15.342 71 HA PRO 9 HA PRO 9 -2.253 6.164 10.251 72 1HB PRO 9 2HB PRO 9 -2.147 8.911 10.225 73 2HB PRO 9 1HB PRO 9 -2.960 7.980 8.967 74 1HG PRO 9 2HG PRO 9 -4.166 9.450 11.305 75 2HG PRO 9 1HG PRO 9 -4.843 9.247 9.702 76 1HD PRO 9 2HD PRO 9 -5.637 7.795 11.867 77 2HD PRO 9 1HD PRO 9 -5.847 7.283 10.186 78 H ALA 10 H ALA 10 -3.622 8.004 12.851 79 HA ALA 10 HA ALA 10 -1.244 8.671 14.271 80 1HB ALA 10 1HB ALA 10 -2.795 9.150 16.159 81 2HB ALA 10 2HB ALA 10 -4.086 8.336 15.287 82 3HB ALA 10 3HB ALA 10 -3.384 9.812 14.642 83 H CYS 11 H CYS 11 -2.885 5.695 14.019 84 HA CYS 11 HA CYS 11 -1.580 4.599 16.476 85 1HB CYS 11 2HB CYS 11 -4.083 4.282 16.024 86 2HB CYS 11 1HB CYS 11 -3.615 3.267 14.704 87 H ARG 12 H ARG 12 -2.095 4.059 13.088 88 HA ARG 12 HA ARG 12 -0.539 1.753 12.646 89 1HB ARG 12 2HB ARG 12 -2.053 2.609 10.994 90 2HB ARG 12 1HB ARG 12 -1.251 4.149 10.930 91 1HG ARG 12 2HG ARG 12 0.158 1.594 10.059 92 2HG ARG 12 1HG ARG 12 -0.894 2.462 8.962 93 1HD ARG 12 2HD ARG 12 1.683 3.518 10.219 94 2HD ARG 12 1HD ARG 12 1.333 3.266 8.520 95 HE ARG 12 HE ARG 12 -0.621 5.024 9.180 96 1HH1 ARG 12 2HH1 ARG 12 2.786 4.998 9.827 97 2HH1 ARG 12 1HH1 ARG 12 2.899 6.724 9.869 98 1HH2 ARG 12 1HH2 ARG 12 -0.497 7.200 9.229 99 2HH2 ARG 12 2HH2 ARG 12 1.015 7.991 9.521 100 H ARG 13 H ARG 13 0.376 5.125 12.789 101 HA ARG 13 HA ARG 13 3.115 4.814 12.004 102 1HB ARG 13 2HB ARG 13 3.414 7.088 12.874 103 2HB ARG 13 1HB ARG 13 1.901 6.996 11.999 104 1HG ARG 13 2HG ARG 13 0.703 6.635 14.213 105 2HG ARG 13 1HG ARG 13 2.226 6.918 15.030 106 1HD ARG 13 2HD ARG 13 0.870 8.921 13.185 107 2HD ARG 13 1HD ARG 13 0.900 9.000 14.946 108 HE ARG 13 HE ARG 13 3.581 8.804 14.091 109 1HH1 ARG 13 2HH1 ARG 13 0.885 10.961 13.823 110 2HH1 ARG 13 1HH1 ARG 13 1.879 12.372 13.694 111 1HH2 ARG 13 1HH2 ARG 13 4.863 10.576 13.928 112 2HH2 ARG 13 2HH2 ARG 13 4.166 12.152 13.753 113 H ASN 14 H ASN 14 1.505 4.445 15.055 114 HA ASN 14 HA ASN 14 3.730 4.607 16.814 115 1HB ASN 14 2HB ASN 14 1.323 4.617 17.535 116 2HB ASN 14 1HB ASN 14 1.219 2.907 17.139 117 1HD2 ASN 14 1HD2 ASN 14 2.866 5.211 19.304 118 2HD2 ASN 14 2HD2 ASN 14 3.244 4.064 20.496 119 H HIS 15 H HIS 15 2.684 2.033 14.731 120 HA HIS 15 HA HIS 15 4.989 0.376 15.669 121 1HB HIS 15 2HB HIS 15 3.505 -1.661 15.255 122 2HB HIS 15 1HB HIS 15 3.054 -0.682 16.638 123 HD1 HIS 15 HD1 HIS 15 1.840 -1.544 13.237 124 HD2 HIS 15 HD2 HIS 15 0.592 0.681 16.421 125 HE1 HIS 15 HE1 HIS 15 -0.516 -0.958 12.794 126 H LYS 16 H LYS 16 2.585 0.402 13.107 127 HA LYS 16 HA LYS 16 2.689 0.373 10.805 128 1HB LYS 16 2HB LYS 16 5.747 0.580 11.062 129 2HB LYS 16 1HB LYS 16 4.796 0.841 9.624 130 1HG LYS 16 2HG LYS 16 3.695 2.794 10.620 131 2HG LYS 16 1HG LYS 16 4.558 2.551 12.131 132 1HD LYS 16 2HD LYS 16 6.726 2.854 10.933 133 2HD LYS 16 1HD LYS 16 5.857 3.107 9.428 134 1HE LYS 16 2HE LYS 16 4.741 5.105 10.408 135 2HE LYS 16 1HE LYS 16 5.612 4.854 11.915 136 1HZ LYS 16 1HZ LYS 16 6.695 6.486 10.553 137 2HZ LYS 16 2HZ LYS 16 6.830 5.382 9.271 138 3HZ LYS 16 3HZ LYS 16 7.683 5.114 10.715 139 H LYS 17 H LYS 17 5.458 -1.403 12.068 140 HA LYS 17 HA LYS 17 5.385 -3.484 10.123 141 1HB LYS 17 2HB LYS 17 6.987 -4.639 11.647 142 2HB LYS 17 1HB LYS 17 7.417 -2.951 11.450 143 1HG LYS 17 2HG LYS 17 6.221 -2.423 13.619 144 2HG LYS 17 1HG LYS 17 5.902 -4.130 13.832 145 1HD LYS 17 2HD LYS 17 8.683 -2.907 13.615 146 2HD LYS 17 1HD LYS 17 7.899 -3.343 15.119 147 1HE LYS 17 2HE LYS 17 7.788 -5.731 14.359 148 2HE LYS 17 1HE LYS 17 8.634 -5.287 12.882 149 1HZ LYS 17 1HZ LYS 17 10.482 -4.511 14.208 150 2HZ LYS 17 2HZ LYS 17 10.147 -6.150 14.506 151 3HZ LYS 17 3HZ LYS 17 9.675 -4.967 15.631 152 H PHE 18 H PHE 18 3.586 -3.076 12.999 153 HA PHE 18 HA PHE 18 2.906 -5.757 13.644 154 1HB PHE 18 2HB PHE 18 2.248 -3.605 14.883 155 2HB PHE 18 1HB PHE 18 0.999 -3.392 13.684 156 HD1 PHE 18 HD1 PHE 18 -0.865 -5.035 13.448 157 HD2 PHE 18 HD2 PHE 18 1.943 -5.303 16.646 158 HE1 PHE 18 HE1 PHE 18 -2.382 -6.532 14.656 159 HE2 PHE 18 HE2 PHE 18 0.418 -6.800 17.850 160 HZ PHE 18 HZ PHE 18 -1.746 -7.418 16.860 161 H CYS 19 H CYS 19 1.960 -3.581 11.254 162 HA CYS 19 HA CYS 19 0.363 -5.629 9.761 163 1HB CYS 19 2HB CYS 19 -1.267 -3.890 9.214 164 2HB CYS 19 1HB CYS 19 -1.115 -4.055 10.937 165 1HN NH2 20 1HT CYS 19 -0.094 -3.588 7.585 166 2HN NH2 20 2HT CYS 19 1.407 -3.427 6.809 Start of MODEL 6 1 1H PHE 1 1H PHE 1 -7.686 -2.407 19.386 2 2H PHE 1 2H PHE 1 -8.254 -3.730 18.484 3 3H PHE 1 3H PHE 1 -8.571 -2.146 17.959 4 HA PHE 1 HA PHE 1 -6.384 -1.758 17.341 5 1HB PHE 1 2HB PHE 1 -5.288 -2.805 19.363 6 2HB PHE 1 1HB PHE 1 -5.783 -4.401 18.837 7 HD1 PHE 1 HD1 PHE 1 -3.509 -1.566 18.111 8 HD2 PHE 1 HD2 PHE 1 -4.553 -5.568 17.073 9 HE1 PHE 1 HE1 PHE 1 -1.443 -1.784 16.807 10 HE2 PHE 1 HE2 PHE 1 -2.498 -5.770 15.768 11 HZ PHE 1 HZ PHE 1 -0.933 -3.875 15.635 12 H ASN 2 H ASN 2 -6.594 -5.294 17.272 13 HA ASN 2 HA ASN 2 -6.668 -6.704 15.293 14 1HB ASN 2 2HB ASN 2 -8.869 -4.693 14.620 15 2HB ASN 2 1HB ASN 2 -8.740 -6.355 14.061 16 1HD2 ASN 2 1HD2 ASN 2 -9.617 -7.978 15.335 17 2HD2 ASN 2 2HD2 ASN 2 -10.266 -7.725 16.884 18 H TRP 3 H TRP 3 -7.655 -5.493 12.880 19 HA TRP 3 HA TRP 3 -5.085 -4.529 11.761 20 1HB TRP 3 2HB TRP 3 -7.372 -4.669 9.833 21 2HB TRP 3 1HB TRP 3 -5.857 -5.551 9.768 22 HD1 TRP 3 HD1 TRP 3 -5.945 -8.159 10.499 23 HE1 TRP 3 HE1 TRP 3 -7.815 -9.536 11.402 24 HE3 TRP 3 HE3 TRP 3 -9.370 -4.559 11.336 25 HZ2 TRP 3 HZ2 TRP 3 -10.486 -9.261 12.413 26 HZ3 TRP 3 HZ3 TRP 3 -11.583 -5.124 12.295 27 HH2 TRP 3 HH2 TRP 3 -12.132 -7.470 12.835 28 H ARG 4 H ARG 4 -7.934 -3.407 13.058 29 HA ARG 4 HA ARG 4 -8.567 -1.110 11.603 30 1HB ARG 4 2HB ARG 4 -8.746 -1.685 14.582 31 2HB ARG 4 1HB ARG 4 -9.344 -0.222 13.876 32 1HG ARG 4 2HG ARG 4 -10.173 -3.012 12.930 33 2HG ARG 4 1HG ARG 4 -11.041 -2.154 14.184 34 1HD ARG 4 2HD ARG 4 -11.622 -0.346 12.663 35 2HD ARG 4 1HD ARG 4 -10.626 -0.998 11.376 36 HE ARG 4 HE ARG 4 -13.244 -2.008 12.249 37 1HH1 ARG 4 2HH1 ARG 4 -10.332 -2.592 10.447 38 2HH1 ARG 4 1HH1 ARG 4 -11.066 -3.801 9.450 39 1HH2 ARG 4 1HH2 ARG 4 -14.179 -3.538 10.997 40 2HH2 ARG 4 2HH2 ARG 4 -13.268 -4.347 9.764 41 H CYS 5 H CYS 5 -6.049 -1.726 13.809 42 HA CYS 5 HA CYS 5 -5.174 0.945 14.363 43 1HB CYS 5 2HB CYS 5 -4.458 -1.155 15.518 44 2HB CYS 5 1HB CYS 5 -3.491 -1.553 14.137 45 H CYS 6 H CYS 6 -4.275 -1.379 11.939 46 HA CYS 6 HA CYS 6 -2.269 0.075 10.542 47 1HB CYS 6 2HB CYS 6 -4.321 -1.721 9.209 48 2HB CYS 6 1HB CYS 6 -2.738 -1.336 8.626 49 H LEU 7 H LEU 7 -5.727 0.247 10.438 50 HA LEU 7 HA LEU 7 -5.854 2.050 8.137 51 1HB LEU 7 2HB LEU 7 -8.029 1.280 10.127 52 2HB LEU 7 1HB LEU 7 -8.281 2.044 8.574 53 HG LEU 7 HG LEU 7 -7.075 -0.741 8.970 54 1HD1 LEU 7 1HD1 LEU 7 -9.228 -1.546 8.032 55 2HD1 LEU 7 2HD1 LEU 7 -9.828 0.104 7.973 56 3HD1 LEU 7 3HD1 LEU 7 -9.491 -0.654 9.519 57 1HD2 LEU 7 1HD2 LEU 7 -7.335 -0.949 6.504 58 2HD2 LEU 7 2HD2 LEU 7 -6.244 0.365 6.887 59 3HD2 LEU 7 3HD2 LEU 7 -7.899 0.710 6.411 60 H ILE 8 H ILE 8 -5.948 2.382 11.622 61 HA ILE 8 HA ILE 8 -6.737 5.192 11.553 62 HB ILE 8 HB ILE 8 -5.631 3.457 13.818 63 1HG1 ILE 8 2HG1 ILE 8 -8.489 4.433 13.350 64 2HG1 ILE 8 1HG1 ILE 8 -7.954 2.892 12.740 65 1HG2 ILE 8 1HG2 ILE 8 -6.997 6.196 13.939 66 2HG2 ILE 8 2HG2 ILE 8 -5.278 5.941 14.198 67 3HG2 ILE 8 3HG2 ILE 8 -6.443 5.285 15.325 68 1HD1 ILE 8 1HD1 ILE 8 -7.955 3.735 15.674 69 2HD1 ILE 8 2HD1 ILE 8 -7.373 2.188 15.075 70 3HD1 ILE 8 3HD1 ILE 8 -9.069 2.612 14.917 71 HA PRO 9 HA PRO 9 -2.591 6.559 10.754 72 1HB PRO 9 2HB PRO 9 -2.839 9.239 11.268 73 2HB PRO 9 1HB PRO 9 -3.546 8.471 9.849 74 1HG PRO 9 2HG PRO 9 -4.882 9.299 12.412 75 2HG PRO 9 1HG PRO 9 -5.554 9.313 10.793 76 1HD PRO 9 2HD PRO 9 -6.095 7.397 12.662 77 2HD PRO 9 1HD PRO 9 -6.303 7.172 10.920 78 H ALA 10 H ALA 10 -4.107 7.644 13.683 79 HA ALA 10 HA ALA 10 -1.661 8.202 15.143 80 1HB ALA 10 1HB ALA 10 -3.209 8.484 17.079 81 2HB ALA 10 2HB ALA 10 -4.520 7.820 16.116 82 3HB ALA 10 3HB ALA 10 -3.781 9.347 15.662 83 H CYS 11 H CYS 11 -2.675 5.322 14.123 84 HA CYS 11 HA CYS 11 -1.604 3.873 16.521 85 1HB CYS 11 2HB CYS 11 -4.136 3.677 16.025 86 2HB CYS 11 1HB CYS 11 -3.665 2.741 14.643 87 H ARG 12 H ARG 12 -2.121 3.893 13.059 88 HA ARG 12 HA ARG 12 -0.468 1.643 12.488 89 1HB ARG 12 2HB ARG 12 -0.474 2.431 10.129 90 2HB ARG 12 1HB ARG 12 -2.070 2.587 10.817 91 1HG ARG 12 2HG ARG 12 -1.902 4.661 9.823 92 2HG ARG 12 1HG ARG 12 -1.252 5.042 11.404 93 1HD ARG 12 2HD ARG 12 1.101 4.633 10.401 94 2HD ARG 12 1HD ARG 12 0.299 4.573 8.842 95 HE ARG 12 HE ARG 12 -0.694 6.885 9.699 96 1HH1 ARG 12 2HH1 ARG 12 2.549 5.665 10.048 97 2HH1 ARG 12 1HH1 ARG 12 3.245 7.247 10.075 98 1HH2 ARG 12 1HH2 ARG 12 0.181 8.872 9.727 99 2HH2 ARG 12 2HH2 ARG 12 1.892 9.087 9.888 100 H ARG 13 H ARG 13 0.135 4.959 12.990 101 HA ARG 13 HA ARG 13 2.833 5.169 12.084 102 1HB ARG 13 2HB ARG 13 1.359 7.119 12.541 103 2HB ARG 13 1HB ARG 13 1.299 6.687 14.232 104 1HG ARG 13 2HG ARG 13 3.918 6.983 14.185 105 2HG ARG 13 1HG ARG 13 3.653 7.764 12.634 106 1HD ARG 13 2HD ARG 13 3.676 9.453 14.446 107 2HD ARG 13 1HD ARG 13 2.058 9.361 13.749 108 HE ARG 13 HE ARG 13 2.296 7.510 15.935 109 1HH1 ARG 13 2HH1 ARG 13 2.016 10.887 15.221 110 2HH1 ARG 13 1HH1 ARG 13 1.252 11.257 16.730 111 1HH2 ARG 13 1HH2 ARG 13 1.335 7.947 17.842 112 2HH2 ARG 13 2HH2 ARG 13 0.860 9.565 18.242 113 H ASN 14 H ASN 14 1.295 4.317 15.062 114 HA ASN 14 HA ASN 14 3.758 3.953 16.586 115 1HB ASN 14 2HB ASN 14 0.863 3.280 17.272 116 2HB ASN 14 1HB ASN 14 2.201 3.338 18.412 117 1HD2 ASN 14 1HD2 ASN 14 0.441 5.398 16.053 118 2HD2 ASN 14 2HD2 ASN 14 0.716 6.854 16.881 119 H HIS 15 H HIS 15 2.647 2.136 14.172 120 HA HIS 15 HA HIS 15 3.864 -0.308 15.305 121 1HB HIS 15 2HB HIS 15 1.937 -1.661 15.256 122 2HB HIS 15 1HB HIS 15 1.239 -0.141 15.715 123 HD1 HIS 15 HD1 HIS 15 1.726 0.209 12.207 124 HD2 HIS 15 HD2 HIS 15 -0.981 -1.788 14.503 125 HE1 HIS 15 HE1 HIS 15 -0.189 -0.248 10.757 126 H LYS 16 H LYS 16 4.469 1.606 13.212 127 HA LYS 16 HA LYS 16 4.268 1.426 10.668 128 1HB LYS 16 2HB LYS 16 6.871 0.917 12.129 129 2HB LYS 16 1HB LYS 16 6.838 1.198 10.404 130 1HG LYS 16 2HG LYS 16 5.714 3.134 12.470 131 2HG LYS 16 1HG LYS 16 7.311 3.264 11.761 132 1HD LYS 16 2HD LYS 16 6.184 3.335 9.457 133 2HD LYS 16 1HD LYS 16 4.643 3.464 10.286 134 1HE LYS 16 2HE LYS 16 6.948 5.426 10.591 135 2HE LYS 16 1HE LYS 16 5.485 5.701 9.658 136 1HZ LYS 16 1HZ LYS 16 4.552 6.451 11.478 137 2HZ LYS 16 2HZ LYS 16 5.911 6.044 12.414 138 3HZ LYS 16 3HZ LYS 16 4.676 4.907 12.169 139 H LYS 17 H LYS 17 6.232 -1.213 11.925 140 HA LYS 17 HA LYS 17 5.575 -2.793 9.480 141 1HB LYS 17 2HB LYS 17 7.555 -4.171 10.086 142 2HB LYS 17 1HB LYS 17 7.981 -2.477 9.960 143 1HG LYS 17 2HG LYS 17 7.825 -2.229 12.441 144 2HG LYS 17 1HG LYS 17 7.393 -3.919 12.592 145 1HD LYS 17 2HD LYS 17 10.011 -2.906 11.404 146 2HD LYS 17 1HD LYS 17 9.820 -3.461 13.055 147 1HE LYS 17 2HE LYS 17 9.117 -5.715 12.204 148 2HE LYS 17 1HE LYS 17 9.386 -5.162 10.556 149 1HZ LYS 17 1HZ LYS 17 11.659 -4.876 10.957 150 2HZ LYS 17 2HZ LYS 17 11.250 -6.400 11.584 151 3HZ LYS 17 3HZ LYS 17 11.480 -5.085 12.633 152 H PHE 18 H PHE 18 4.711 -2.701 12.690 153 HA PHE 18 HA PHE 18 4.359 -5.385 13.436 154 1HB PHE 18 2HB PHE 18 3.874 -3.214 14.747 155 2HB PHE 18 1HB PHE 18 2.336 -3.198 13.923 156 HD1 PHE 18 HD1 PHE 18 4.272 -4.842 16.546 157 HD2 PHE 18 HD2 PHE 18 0.666 -5.025 14.281 158 HE1 PHE 18 HE1 PHE 18 3.329 -6.422 18.168 159 HE2 PHE 18 HE2 PHE 18 -0.271 -6.605 15.905 160 HZ PHE 18 HZ PHE 18 1.056 -7.306 17.851 161 H CYS 19 H CYS 19 2.544 -3.323 11.374 162 HA CYS 19 HA CYS 19 0.321 -5.207 10.916 163 1HB CYS 19 2HB CYS 19 0.054 -2.750 10.794 164 2HB CYS 19 1HB CYS 19 1.022 -2.714 9.339 165 1HN NH2 20 1HT CYS 19 3.283 -4.255 9.169 166 2HN NH2 20 2HT CYS 19 3.168 -5.453 7.971 Start of MODEL 7 1 1H PHE 1 1H PHE 1 -8.912 -5.167 19.350 2 2H PHE 1 2H PHE 1 -9.028 -6.127 17.954 3 3H PHE 1 3H PHE 1 -9.799 -4.616 18.010 4 HA PHE 1 HA PHE 1 -7.829 -3.437 17.857 5 1HB PHE 1 2HB PHE 1 -6.561 -4.806 19.557 6 2HB PHE 1 1HB PHE 1 -6.431 -6.127 18.416 7 HD1 PHE 1 HD1 PHE 1 -5.489 -2.541 18.916 8 HD2 PHE 1 HD2 PHE 1 -4.635 -6.166 16.841 9 HE1 PHE 1 HE1 PHE 1 -3.440 -1.545 18.010 10 HE2 PHE 1 HE2 PHE 1 -2.589 -5.163 15.937 11 HZ PHE 1 HZ PHE 1 -1.986 -2.851 16.518 12 H ASN 2 H ASN 2 -7.059 -6.677 16.626 13 HA ASN 2 HA ASN 2 -6.723 -7.356 14.325 14 1HB ASN 2 2HB ASN 2 -9.057 -5.440 13.861 15 2HB ASN 2 1HB ASN 2 -8.590 -6.820 12.882 16 1HD2 ASN 2 1HD2 ASN 2 -9.848 -5.958 16.107 17 2HD2 ASN 2 2HD2 ASN 2 -10.593 -7.457 16.385 18 H TRP 3 H TRP 3 -7.396 -5.596 12.206 19 HA TRP 3 HA TRP 3 -4.872 -4.062 11.994 20 1HB TRP 3 2HB TRP 3 -6.599 -3.821 9.603 21 2HB TRP 3 1HB TRP 3 -5.042 -4.617 9.733 22 HD1 TRP 3 HD1 TRP 3 -5.084 -7.286 9.543 23 HE1 TRP 3 HE1 TRP 3 -6.961 -8.923 9.620 24 HE3 TRP 3 HE3 TRP 3 -8.901 -4.212 10.730 25 HZ2 TRP 3 HZ2 TRP 3 -9.780 -9.046 10.136 26 HZ3 TRP 3 HZ3 TRP 3 -11.186 -5.101 11.037 27 HH2 TRP 3 HH2 TRP 3 -11.618 -7.518 10.747 28 H ARG 4 H ARG 4 -7.644 -3.390 13.377 29 HA ARG 4 HA ARG 4 -8.704 -1.055 12.293 30 1HB ARG 4 2HB ARG 4 -8.264 -1.693 15.222 31 2HB ARG 4 1HB ARG 4 -9.257 -0.392 14.632 32 1HG ARG 4 2HG ARG 4 -10.724 -1.963 13.420 33 2HG ARG 4 1HG ARG 4 -9.714 -3.319 13.870 34 1HD ARG 4 2HD ARG 4 -11.692 -3.193 15.372 35 2HD ARG 4 1HD ARG 4 -10.226 -2.885 16.289 36 HE ARG 4 HE ARG 4 -10.945 -0.687 16.648 37 1HH1 ARG 4 2HH1 ARG 4 -12.754 -2.131 14.066 38 2HH1 ARG 4 1HH1 ARG 4 -13.863 -0.806 13.958 39 1HH2 ARG 4 1HH2 ARG 4 -12.337 0.994 16.523 40 2HH2 ARG 4 2HH2 ARG 4 -13.625 0.988 15.364 41 H CYS 5 H CYS 5 -5.894 -1.488 14.284 42 HA CYS 5 HA CYS 5 -5.219 1.285 14.665 43 1HB CYS 5 2HB CYS 5 -4.398 -0.680 15.965 44 2HB CYS 5 1HB CYS 5 -3.407 -1.127 14.621 45 H CYS 6 H CYS 6 -4.249 -1.153 12.397 46 HA CYS 6 HA CYS 6 -2.320 0.285 10.877 47 1HB CYS 6 2HB CYS 6 -4.301 -1.651 9.653 48 2HB CYS 6 1HB CYS 6 -2.720 -1.251 9.079 49 H LEU 7 H LEU 7 -5.787 0.464 10.920 50 HA LEU 7 HA LEU 7 -6.049 1.933 8.413 51 1HB LEU 7 2HB LEU 7 -8.053 1.511 10.671 52 2HB LEU 7 1HB LEU 7 -8.437 2.195 9.111 53 HG LEU 7 HG LEU 7 -7.328 -0.626 9.508 54 1HD1 LEU 7 1HD1 LEU 7 -9.634 -0.373 10.426 55 2HD1 LEU 7 2HD1 LEU 7 -9.640 -1.366 8.980 56 3HD1 LEU 7 3HD1 LEU 7 -10.168 0.307 8.900 57 1HD2 LEU 7 1HD2 LEU 7 -8.499 0.730 7.037 58 2HD2 LEU 7 2HD2 LEU 7 -7.989 -0.946 7.138 59 3HD2 LEU 7 3HD2 LEU 7 -6.803 0.335 7.263 60 H ILE 8 H ILE 8 -6.196 2.843 11.844 61 HA ILE 8 HA ILE 8 -6.606 5.667 11.150 62 HB ILE 8 HB ILE 8 -5.879 4.361 13.845 63 1HG1 ILE 8 2HG1 ILE 8 -8.217 5.224 14.471 64 2HG1 ILE 8 1HG1 ILE 8 -8.472 5.595 12.782 65 1HG2 ILE 8 1HG2 ILE 8 -6.603 7.275 13.280 66 2HG2 ILE 8 2HG2 ILE 8 -4.991 6.713 13.686 67 3HG2 ILE 8 3HG2 ILE 8 -6.284 6.593 14.856 68 1HD1 ILE 8 1HD1 ILE 8 -9.491 3.443 13.392 69 2HD1 ILE 8 2HD1 ILE 8 -7.933 2.844 13.926 70 3HD1 ILE 8 3HD1 ILE 8 -8.220 3.182 12.220 71 HA PRO 9 HA PRO 9 -2.287 6.161 10.255 72 1HB PRO 9 2HB PRO 9 -2.097 8.906 10.251 73 2HB PRO 9 1HB PRO 9 -2.872 7.996 8.955 74 1HG PRO 9 2HG PRO 9 -4.150 9.449 11.269 75 2HG PRO 9 1HG PRO 9 -4.725 9.349 9.616 76 1HD PRO 9 2HD PRO 9 -5.772 7.853 11.606 77 2HD PRO 9 1HD PRO 9 -5.745 7.311 9.927 78 H ALA 10 H ALA 10 -3.703 8.011 12.799 79 HA ALA 10 HA ALA 10 -1.383 8.664 14.322 80 1HB ALA 10 1HB ALA 10 -3.547 9.792 14.629 81 2HB ALA 10 2HB ALA 10 -3.002 9.123 16.158 82 3HB ALA 10 3HB ALA 10 -4.260 8.309 15.242 83 H CYS 11 H CYS 11 -3.001 5.665 14.018 84 HA CYS 11 HA CYS 11 -1.727 4.587 16.507 85 1HB CYS 11 2HB CYS 11 -4.234 4.247 16.016 86 2HB CYS 11 1HB CYS 11 -3.739 3.198 14.729 87 H ARG 12 H ARG 12 -2.180 4.151 13.127 88 HA ARG 12 HA ARG 12 -0.660 1.852 12.564 89 1HB ARG 12 2HB ARG 12 -2.169 2.723 10.942 90 2HB ARG 12 1HB ARG 12 -1.398 4.288 10.942 91 1HG ARG 12 2HG ARG 12 0.288 1.939 10.108 92 2HG ARG 12 1HG ARG 12 -0.969 2.459 9.004 93 1HD ARG 12 2HD ARG 12 -0.095 4.725 8.943 94 2HD ARG 12 1HD ARG 12 1.098 4.394 10.175 95 HE ARG 12 HE ARG 12 1.098 3.320 7.391 96 1HH1 ARG 12 2HH1 ARG 12 2.716 3.785 10.440 97 2HH1 ARG 12 1HH1 ARG 12 4.255 3.332 9.801 98 1HH2 ARG 12 1HH2 ARG 12 3.021 2.729 6.592 99 2HH2 ARG 12 2HH2 ARG 12 4.435 2.716 7.590 100 H ARG 13 H ARG 13 0.336 5.162 12.976 101 HA ARG 13 HA ARG 13 3.035 4.838 11.999 102 1HB ARG 13 2HB ARG 13 3.390 7.092 12.958 103 2HB ARG 13 1HB ARG 13 1.932 7.002 12.009 104 1HG ARG 13 2HG ARG 13 1.250 8.238 13.905 105 2HG ARG 13 1HG ARG 13 0.666 6.624 14.242 106 1HD ARG 13 2HD ARG 13 1.748 7.685 16.221 107 2HD ARG 13 1HD ARG 13 2.528 6.189 15.754 108 HE ARG 13 HE ARG 13 3.629 8.747 14.716 109 1HH1 ARG 13 2HH1 ARG 13 3.938 5.972 16.803 110 2HH1 ARG 13 1HH1 ARG 13 5.619 6.261 17.087 111 1HH2 ARG 13 1HH2 ARG 13 5.750 9.098 15.083 112 2HH2 ARG 13 2HH2 ARG 13 6.655 8.037 16.112 113 H ASN 14 H ASN 14 1.637 3.728 14.818 114 HA ASN 14 HA ASN 14 4.109 3.891 16.453 115 1HB ASN 14 2HB ASN 14 1.374 2.728 17.134 116 2HB ASN 14 1HB ASN 14 2.719 2.886 18.250 117 1HD2 ASN 14 1HD2 ASN 14 0.176 4.621 16.596 118 2HD2 ASN 14 2HD2 ASN 14 0.420 6.108 17.380 119 H HIS 15 H HIS 15 2.043 1.555 14.877 120 HA HIS 15 HA HIS 15 4.109 -0.578 15.330 121 1HB HIS 15 2HB HIS 15 2.318 -2.163 15.702 122 2HB HIS 15 1HB HIS 15 1.764 -0.725 16.506 123 HD1 HIS 15 HD1 HIS 15 0.211 -3.085 14.722 124 HD2 HIS 15 HD2 HIS 15 0.405 0.931 14.081 125 HE1 HIS 15 HE1 HIS 15 -1.736 -2.519 13.318 126 H LYS 16 H LYS 16 4.329 1.214 13.400 127 HA LYS 16 HA LYS 16 3.365 1.157 10.894 128 1HB LYS 16 2HB LYS 16 5.251 2.516 11.521 129 2HB LYS 16 1HB LYS 16 6.259 1.110 11.792 130 1HG LYS 16 2HG LYS 16 6.299 0.611 9.381 131 2HG LYS 16 1HG LYS 16 5.127 1.859 9.054 132 1HD LYS 16 2HD LYS 16 7.346 2.697 8.490 133 2HD LYS 16 1HD LYS 16 6.798 3.559 9.912 134 1HE LYS 16 2HE LYS 16 8.157 2.060 11.368 135 2HE LYS 16 1HE LYS 16 8.668 1.142 9.956 136 1HZ LYS 16 1HZ LYS 16 10.298 2.779 10.663 137 2HZ LYS 16 2HZ LYS 16 9.178 4.027 10.397 138 3HZ LYS 16 3HZ LYS 16 9.734 3.093 9.091 139 H LYS 17 H LYS 17 6.208 -0.882 11.281 140 HA LYS 17 HA LYS 17 5.284 -2.625 9.121 141 1HB LYS 17 2HB LYS 17 7.698 -1.926 9.412 142 2HB LYS 17 1HB LYS 17 7.747 -2.808 10.926 143 1HG LYS 17 2HG LYS 17 7.376 -4.944 9.745 144 2HG LYS 17 1HG LYS 17 7.116 -4.103 8.231 145 1HD LYS 17 2HD LYS 17 9.383 -5.035 8.281 146 2HD LYS 17 1HD LYS 17 9.478 -3.287 8.293 147 1HE LYS 17 2HE LYS 17 11.062 -4.294 9.922 148 2HE LYS 17 1HE LYS 17 9.871 -3.318 10.762 149 1HZ LYS 17 1HZ LYS 17 9.573 -6.233 10.366 150 2HZ LYS 17 2HZ LYS 17 8.699 -5.228 11.419 151 3HZ LYS 17 3HZ LYS 17 10.338 -5.556 11.724 152 H PHE 18 H PHE 18 4.999 -2.575 12.464 153 HA PHE 18 HA PHE 18 4.920 -5.321 13.166 154 1HB PHE 18 2HB PHE 18 4.709 -3.234 14.669 155 2HB PHE 18 1HB PHE 18 3.037 -3.207 14.179 156 HD1 PHE 18 HD1 PHE 18 1.410 -4.767 15.009 157 HD2 PHE 18 HD2 PHE 18 5.522 -5.228 16.039 158 HE1 PHE 18 HE1 PHE 18 0.799 -6.425 16.708 159 HE2 PHE 18 HE2 PHE 18 4.903 -6.888 17.738 160 HZ PHE 18 HZ PHE 18 2.543 -7.488 18.077 161 H CYS 19 H CYS 19 2.733 -3.207 11.607 162 HA CYS 19 HA CYS 19 0.372 -4.905 11.626 163 1HB CYS 19 2HB CYS 19 0.197 -2.473 11.183 164 2HB CYS 19 1HB CYS 19 1.093 -2.671 9.694 165 1HN NH2 20 1HT CYS 19 -0.374 -6.351 9.970 166 2HN NH2 20 2HT CYS 19 0.633 -6.907 8.720 Start of MODEL 8 1 1H PHE 1 1H PHE 1 -7.947 -3.638 19.361 2 2H PHE 1 2H PHE 1 -7.984 -5.088 18.476 3 3H PHE 1 3H PHE 1 -8.768 -3.708 17.875 4 HA PHE 1 HA PHE 1 -6.665 -2.575 17.630 5 1HB PHE 1 2HB PHE 1 -5.390 -3.826 19.422 6 2HB PHE 1 1HB PHE 1 -5.545 -5.314 18.515 7 HD1 PHE 1 HD1 PHE 1 -4.189 -5.701 16.497 8 HD2 PHE 1 HD2 PHE 1 -3.867 -2.024 18.631 9 HE1 PHE 1 HE1 PHE 1 -2.167 -5.154 15.238 10 HE2 PHE 1 HE2 PHE 1 -1.837 -1.487 17.370 11 HZ PHE 1 HZ PHE 1 -0.978 -3.039 15.677 12 H ASN 2 H ASN 2 -6.515 -6.034 16.902 13 HA ASN 2 HA ASN 2 -6.197 -7.060 14.692 14 1HB ASN 2 2HB ASN 2 -8.305 -6.729 13.409 15 2HB ASN 2 1HB ASN 2 -8.548 -7.122 15.087 16 1HD2 ASN 2 1HD2 ASN 2 -9.303 -5.437 16.543 17 2HD2 ASN 2 2HD2 ASN 2 -10.081 -4.058 15.933 18 H TRP 3 H TRP 3 -7.336 -5.608 12.448 19 HA TRP 3 HA TRP 3 -4.858 -4.203 11.600 20 1HB TRP 3 2HB TRP 3 -7.039 -4.197 9.562 21 2HB TRP 3 1HB TRP 3 -5.444 -4.925 9.449 22 HD1 TRP 3 HD1 TRP 3 -5.335 -7.620 9.730 23 HE1 TRP 3 HE1 TRP 3 -7.106 -9.264 10.339 24 HE3 TRP 3 HE3 TRP 3 -9.067 -4.464 10.972 25 HZ2 TRP 3 HZ2 TRP 3 -9.812 -9.356 11.286 26 HZ3 TRP 3 HZ3 TRP 3 -11.244 -5.346 11.754 27 HH2 TRP 3 HH2 TRP 3 -11.599 -7.786 11.923 28 H ARG 4 H ARG 4 -7.592 -3.406 13.194 29 HA ARG 4 HA ARG 4 -8.492 -1.046 11.956 30 1HB ARG 4 2HB ARG 4 -8.699 -2.179 14.707 31 2HB ARG 4 1HB ARG 4 -8.927 -0.450 14.587 32 1HG ARG 4 2HG ARG 4 -10.718 -0.718 12.978 33 2HG ARG 4 1HG ARG 4 -10.419 -2.432 12.813 34 1HD ARG 4 2HD ARG 4 -12.380 -1.908 14.290 35 2HD ARG 4 1HD ARG 4 -11.159 -2.812 15.155 36 HE ARG 4 HE ARG 4 -11.819 0.059 15.508 37 1HH1 ARG 4 2HH1 ARG 4 -9.811 -2.649 16.372 38 2HH1 ARG 4 1HH1 ARG 4 -9.242 -1.893 17.818 39 1HH2 ARG 4 1HH2 ARG 4 -11.098 1.016 17.325 40 2HH2 ARG 4 2HH2 ARG 4 -9.972 0.206 18.365 41 H CYS 5 H CYS 5 -5.738 -1.714 13.925 42 HA CYS 5 HA CYS 5 -5.059 1.049 14.524 43 1HB CYS 5 2HB CYS 5 -4.313 -0.892 15.848 44 2HB CYS 5 1HB CYS 5 -3.371 -1.450 14.505 45 H CYS 6 H CYS 6 -3.996 -1.385 12.302 46 HA CYS 6 HA CYS 6 -1.952 -0.054 10.909 47 1HB CYS 6 2HB CYS 6 -2.634 -2.457 10.618 48 2HB CYS 6 1HB CYS 6 -3.990 -1.924 9.659 49 H LEU 7 H LEU 7 -5.444 0.154 10.376 50 HA LEU 7 HA LEU 7 -5.074 1.961 8.080 51 1HB LEU 7 2HB LEU 7 -7.528 1.881 7.906 52 2HB LEU 7 1HB LEU 7 -6.835 0.285 7.997 53 HG LEU 7 HG LEU 7 -7.377 0.494 10.584 54 1HD1 LEU 7 1HD1 LEU 7 -8.165 2.896 10.480 55 2HD1 LEU 7 2HD1 LEU 7 -9.439 1.819 11.012 56 3HD1 LEU 7 3HD1 LEU 7 -9.416 2.409 9.361 57 1HD2 LEU 7 1HD2 LEU 7 -8.373 -1.172 9.060 58 2HD2 LEU 7 2HD2 LEU 7 -9.521 0.022 8.476 59 3HD2 LEU 7 3HD2 LEU 7 -9.603 -0.537 10.137 60 H ILE 8 H ILE 8 -5.691 2.298 11.513 61 HA ILE 8 HA ILE 8 -6.659 5.062 11.259 62 HB ILE 8 HB ILE 8 -5.656 3.512 13.733 63 1HG1 ILE 8 2HG1 ILE 8 -8.478 4.487 13.078 64 2HG1 ILE 8 1HG1 ILE 8 -7.954 2.904 12.591 65 1HG2 ILE 8 1HG2 ILE 8 -5.302 6.020 13.935 66 2HG2 ILE 8 2HG2 ILE 8 -6.519 5.453 15.053 67 3HG2 ILE 8 3HG2 ILE 8 -7.005 6.257 13.580 68 1HD1 ILE 8 1HD1 ILE 8 -8.046 3.946 15.460 69 2HD1 ILE 8 2HD1 ILE 8 -7.463 2.354 14.997 70 3HD1 ILE 8 3HD1 ILE 8 -9.147 2.784 14.745 71 HA PRO 9 HA PRO 9 -2.533 6.408 10.486 72 1HB PRO 9 2HB PRO 9 -2.790 9.128 10.852 73 2HB PRO 9 1HB PRO 9 -3.444 8.280 9.453 74 1HG PRO 9 2HG PRO 9 -4.875 9.251 11.911 75 2HG PRO 9 1HG PRO 9 -5.490 9.160 10.273 76 1HD PRO 9 2HD PRO 9 -6.112 7.368 12.221 77 2HD PRO 9 1HD PRO 9 -6.211 7.017 10.492 78 H ALA 10 H ALA 10 -4.075 7.854 13.244 79 HA ALA 10 HA ALA 10 -1.781 8.545 14.763 80 1HB ALA 10 1HB ALA 10 -4.010 9.451 15.227 81 2HB ALA 10 2HB ALA 10 -3.370 8.694 16.676 82 3HB ALA 10 3HB ALA 10 -4.583 7.863 15.712 83 H CYS 11 H CYS 11 -2.963 5.448 14.127 84 HA CYS 11 HA CYS 11 -1.592 4.281 16.526 85 1HB CYS 11 2HB CYS 11 -4.104 3.812 15.977 86 2HB CYS 11 1HB CYS 11 -3.489 2.843 14.685 87 H ARG 12 H ARG 12 -2.020 4.153 13.115 88 HA ARG 12 HA ARG 12 -0.373 2.005 12.349 89 1HB ARG 12 2HB ARG 12 -1.883 3.062 10.792 90 2HB ARG 12 1HB ARG 12 -1.105 4.615 10.967 91 1HG ARG 12 2HG ARG 12 0.537 2.308 9.919 92 2HG ARG 12 1HG ARG 12 -0.650 3.028 8.854 93 1HD ARG 12 2HD ARG 12 0.363 5.253 9.157 94 2HD ARG 12 1HD ARG 12 1.563 4.620 10.262 95 HE ARG 12 HE ARG 12 1.378 4.056 7.344 96 1HH1 ARG 12 2HH1 ARG 12 3.097 3.727 10.358 97 2HH1 ARG 12 1HH1 ARG 12 4.540 3.190 9.574 98 1HH2 ARG 12 1HH2 ARG 12 3.199 3.370 6.374 99 2HH2 ARG 12 2HH2 ARG 12 4.604 2.977 7.307 100 H ARG 13 H ARG 13 0.479 5.217 13.341 101 HA ARG 13 HA ARG 13 3.188 5.262 12.367 102 1HB ARG 13 2HB ARG 13 1.920 6.626 14.780 103 2HB ARG 13 1HB ARG 13 3.533 6.993 14.198 104 1HG ARG 13 2HG ARG 13 2.663 7.745 12.046 105 2HG ARG 13 1HG ARG 13 1.040 7.248 12.461 106 1HD ARG 13 2HD ARG 13 2.659 9.400 13.896 107 2HD ARG 13 1HD ARG 13 1.314 9.699 12.798 108 HE ARG 13 HE ARG 13 0.247 8.004 14.717 109 1HH1 ARG 13 2HH1 ARG 13 1.906 11.049 14.736 110 2HH1 ARG 13 1HH1 ARG 13 1.111 11.601 16.171 111 1HH2 ARG 13 1HH2 ARG 13 -0.773 8.690 16.537 112 2HH2 ARG 13 2HH2 ARG 13 -0.427 10.251 17.203 113 H ASN 14 H ASN 14 1.840 4.500 15.528 114 HA ASN 14 HA ASN 14 4.311 3.455 16.625 115 1HB ASN 14 2HB ASN 14 2.527 4.508 18.021 116 2HB ASN 14 1HB ASN 14 1.435 3.194 17.615 117 1HD2 ASN 14 1HD2 ASN 14 4.646 3.786 19.115 118 2HD2 ASN 14 2HD2 ASN 14 4.555 2.478 20.193 119 H HIS 15 H HIS 15 2.006 2.190 14.535 120 HA HIS 15 HA HIS 15 2.997 -0.586 14.982 121 1HB HIS 15 2HB HIS 15 0.122 0.324 14.517 122 2HB HIS 15 1HB HIS 15 0.621 -1.359 14.421 123 HD1 HIS 15 HD1 HIS 15 1.423 -2.405 16.674 124 HD2 HIS 15 HD2 HIS 15 -0.039 1.376 17.144 125 HE1 HIS 15 HE1 HIS 15 1.075 -2.092 19.094 126 H LYS 16 H LYS 16 4.147 1.081 13.287 127 HA LYS 16 HA LYS 16 3.284 1.244 10.645 128 1HB LYS 16 2HB LYS 16 5.839 1.472 10.216 129 2HB LYS 16 1HB LYS 16 5.105 2.588 11.341 130 1HG LYS 16 2HG LYS 16 5.913 0.979 13.240 131 2HG LYS 16 1HG LYS 16 6.916 0.240 12.014 132 1HD LYS 16 2HD LYS 16 7.904 2.499 11.500 133 2HD LYS 16 1HD LYS 16 6.937 3.167 12.792 134 1HE LYS 16 2HE LYS 16 9.213 2.678 13.606 135 2HE LYS 16 1HE LYS 16 8.043 1.660 14.432 136 1HZ LYS 16 1HZ LYS 16 10.033 0.473 13.673 137 2HZ LYS 16 2HZ LYS 16 9.610 0.815 12.066 138 3HZ LYS 16 3HZ LYS 16 8.597 -0.157 13.020 139 H LYS 17 H LYS 17 6.086 -0.879 11.092 140 HA LYS 17 HA LYS 17 5.010 -2.707 9.095 141 1HB LYS 17 2HB LYS 17 7.519 -2.733 10.834 142 2HB LYS 17 1HB LYS 17 7.102 -4.123 9.863 143 1HG LYS 17 2HG LYS 17 8.630 -2.818 8.549 144 2HG LYS 17 1HG LYS 17 7.055 -2.676 7.813 145 1HD LYS 17 2HD LYS 17 8.091 -0.498 7.799 146 2HD LYS 17 1HD LYS 17 6.775 -0.428 8.945 147 1HE LYS 17 2HE LYS 17 8.408 -0.764 10.818 148 2HE LYS 17 1HE LYS 17 9.714 -0.872 9.646 149 1HZ LYS 17 1HZ LYS 17 7.921 1.462 9.844 150 2HZ LYS 17 2HZ LYS 17 9.388 1.341 8.998 151 3HZ LYS 17 3HZ LYS 17 9.385 1.339 10.696 152 H PHE 18 H PHE 18 4.474 -2.298 12.302 153 HA PHE 18 HA PHE 18 4.269 -4.885 13.428 154 1HB PHE 18 2HB PHE 18 4.007 -2.573 14.528 155 2HB PHE 18 1HB PHE 18 2.378 -2.569 13.905 156 HD1 PHE 18 HD1 PHE 18 0.721 -4.322 14.646 157 HD2 PHE 18 HD2 PHE 18 4.533 -3.891 16.507 158 HE1 PHE 18 HE1 PHE 18 -0.070 -5.615 16.574 159 HE2 PHE 18 HE2 PHE 18 3.732 -5.183 18.433 160 HZ PHE 18 HZ PHE 18 1.431 -6.046 18.470 161 H CYS 19 H CYS 19 2.289 -3.029 11.372 162 HA CYS 19 HA CYS 19 -0.210 -4.271 11.368 163 1HB CYS 19 2HB CYS 19 0.371 -2.286 10.009 164 2HB CYS 19 1HB CYS 19 1.317 -3.286 8.938 165 1HN NH2 20 1HT CYS 19 -1.107 -6.165 10.455 166 2HN NH2 20 2HT CYS 19 -0.182 -7.375 9.706 Start of MODEL 9 1 1H PHE 1 1H PHE 1 -10.556 -5.182 17.460 2 2H PHE 1 2H PHE 1 -10.421 -4.440 18.983 3 3H PHE 1 3H PHE 1 -9.471 -5.799 18.612 4 HA PHE 1 HA PHE 1 -9.249 -3.064 17.506 5 1HB PHE 1 2HB PHE 1 -8.007 -3.616 19.650 6 2HB PHE 1 1HB PHE 1 -7.214 -4.942 18.826 7 HD1 PHE 1 HD1 PHE 1 -7.892 -1.290 18.222 8 HD2 PHE 1 HD2 PHE 1 -5.074 -4.482 17.962 9 HE1 PHE 1 HE1 PHE 1 -6.204 0.261 17.351 10 HE2 PHE 1 HE2 PHE 1 -3.394 -2.920 17.092 11 HZ PHE 1 HZ PHE 1 -3.967 -0.541 16.798 12 H ASN 2 H ASN 2 -7.762 -6.259 17.284 13 HA ASN 2 HA ASN 2 -6.854 -7.410 15.370 14 1HB ASN 2 2HB ASN 2 -8.934 -5.748 13.863 15 2HB ASN 2 1HB ASN 2 -8.197 -7.257 13.360 16 1HD2 ASN 2 1HD2 ASN 2 -9.198 -9.150 13.934 17 2HD2 ASN 2 2HD2 ASN 2 -10.464 -9.267 15.060 18 H TRP 3 H TRP 3 -6.771 -6.306 12.830 19 HA TRP 3 HA TRP 3 -4.262 -4.813 12.912 20 1HB TRP 3 2HB TRP 3 -5.324 -5.049 10.173 21 2HB TRP 3 1HB TRP 3 -3.952 -5.889 10.871 22 HD1 TRP 3 HD1 TRP 3 -4.260 -8.524 11.156 23 HE1 TRP 3 HE1 TRP 3 -6.282 -9.977 11.115 24 HE3 TRP 3 HE3 TRP 3 -7.866 -5.016 10.812 25 HZ2 TRP 3 HZ2 TRP 3 -9.139 -9.795 10.987 26 HZ3 TRP 3 HZ3 TRP 3 -10.250 -5.665 10.759 27 HH2 TRP 3 HH2 TRP 3 -10.880 -8.053 10.858 28 H ARG 4 H ARG 4 -7.034 -3.639 13.615 29 HA ARG 4 HA ARG 4 -7.709 -1.623 11.797 30 1HB ARG 4 2HB ARG 4 -7.844 -1.711 14.815 31 2HB ARG 4 1HB ARG 4 -8.355 -0.289 13.937 32 1HG ARG 4 2HG ARG 4 -9.950 -1.645 12.602 33 2HG ARG 4 1HG ARG 4 -9.447 -3.106 13.418 34 1HD ARG 4 2HD ARG 4 -10.251 -2.077 15.611 35 2HD ARG 4 1HD ARG 4 -10.789 -0.680 14.694 36 HE ARG 4 HE ARG 4 -12.519 -1.972 13.706 37 1HH1 ARG 4 2HH1 ARG 4 -10.494 -3.887 15.783 38 2HH1 ARG 4 1HH1 ARG 4 -11.612 -5.205 15.824 39 1HH2 ARG 4 1HH2 ARG 4 -13.929 -3.629 13.758 40 2HH2 ARG 4 2HH2 ARG 4 -13.579 -5.060 14.668 41 H CYS 5 H CYS 5 -5.155 -1.838 14.096 42 HA CYS 5 HA CYS 5 -4.137 0.690 14.447 43 1HB CYS 5 2HB CYS 5 -3.110 -1.540 15.205 44 2HB CYS 5 1HB CYS 5 -2.394 -1.637 13.640 45 H CYS 6 H CYS 6 -3.613 -1.357 11.693 46 HA CYS 6 HA CYS 6 -1.868 0.272 10.167 47 1HB CYS 6 2HB CYS 6 -2.585 -2.158 9.860 48 2HB CYS 6 1HB CYS 6 -3.941 -1.547 8.960 49 H LEU 7 H LEU 7 -5.441 0.059 10.031 50 HA LEU 7 HA LEU 7 -5.554 2.264 8.099 51 1HB LEU 7 2HB LEU 7 -8.039 1.947 8.272 52 2HB LEU 7 1HB LEU 7 -7.167 0.502 7.842 53 HG LEU 7 HG LEU 7 -7.323 -0.193 10.300 54 1HD1 LEU 7 1HD1 LEU 7 -8.002 2.055 11.246 55 2HD1 LEU 7 2HD1 LEU 7 -9.190 0.824 11.604 56 3HD1 LEU 7 3HD1 LEU 7 -9.478 1.979 10.314 57 1HD2 LEU 7 1HD2 LEU 7 -9.873 0.069 8.677 58 2HD2 LEU 7 2HD2 LEU 7 -9.626 -1.052 10.008 59 3HD2 LEU 7 3HD2 LEU 7 -8.682 -1.214 8.538 60 H ILE 8 H ILE 8 -5.032 2.219 11.344 61 HA ILE 8 HA ILE 8 -6.538 4.728 11.926 62 HB ILE 8 HB ILE 8 -4.848 2.942 13.792 63 1HG1 ILE 8 2HG1 ILE 8 -7.852 3.506 13.874 64 2HG1 ILE 8 1HG1 ILE 8 -7.203 2.095 13.090 65 1HG2 ILE 8 1HG2 ILE 8 -6.519 5.430 14.418 66 2HG2 ILE 8 2HG2 ILE 8 -4.764 5.402 14.393 67 3HG2 ILE 8 3HG2 ILE 8 -5.636 4.494 15.603 68 1HD1 ILE 8 1HD1 ILE 8 -6.161 1.369 15.228 69 2HD1 ILE 8 2HD1 ILE 8 -7.900 1.542 15.376 70 3HD1 ILE 8 3HD1 ILE 8 -6.842 2.774 16.034 71 HA PRO 9 HA PRO 9 -2.683 6.653 10.845 72 1HB PRO 9 2HB PRO 9 -3.192 9.250 11.569 73 2HB PRO 9 1HB PRO 9 -3.975 8.482 10.188 74 1HG PRO 9 2HG PRO 9 -5.081 9.000 12.937 75 2HG PRO 9 1HG PRO 9 -5.945 8.985 11.411 76 1HD PRO 9 2HD PRO 9 -5.962 6.928 13.228 77 2HD PRO 9 1HD PRO 9 -6.434 6.789 11.527 78 H ALA 10 H ALA 10 -3.969 7.426 13.988 79 HA ALA 10 HA ALA 10 -1.496 8.213 15.221 80 1HB ALA 10 1HB ALA 10 -2.788 8.004 17.343 81 2HB ALA 10 2HB ALA 10 -4.077 7.195 16.466 82 3HB ALA 10 3HB ALA 10 -3.694 8.872 16.115 83 H CYS 11 H CYS 11 -2.599 5.153 14.316 84 HA CYS 11 HA CYS 11 -0.828 3.788 16.316 85 1HB CYS 11 2HB CYS 11 -3.326 3.177 16.046 86 2HB CYS 11 1HB CYS 11 -2.837 2.443 14.563 87 H ARG 12 H ARG 12 -1.721 3.855 12.898 88 HA ARG 12 HA ARG 12 0.152 1.902 11.989 89 1HB ARG 12 2HB ARG 12 -0.102 2.826 9.759 90 2HB ARG 12 1HB ARG 12 -1.659 2.978 10.545 91 1HG ARG 12 2HG ARG 12 -1.131 5.362 11.113 92 2HG ARG 12 1HG ARG 12 0.422 5.218 10.321 93 1HD ARG 12 2HD ARG 12 -1.024 6.321 8.857 94 2HD ARG 12 1HD ARG 12 -0.573 4.749 8.202 95 HE ARG 12 HE ARG 12 -2.901 4.090 9.393 96 1HH1 ARG 12 2HH1 ARG 12 -2.116 6.894 7.490 97 2HH1 ARG 12 1HH1 ARG 12 -3.741 7.092 6.933 98 1HH2 ARG 12 1HH2 ARG 12 -4.933 4.334 8.687 99 2HH2 ARG 12 2HH2 ARG 12 -5.365 5.628 7.619 100 H ARG 13 H ARG 13 0.468 5.306 12.618 101 HA ARG 13 HA ARG 13 3.144 5.516 11.594 102 1HB ARG 13 2HB ARG 13 1.575 7.453 11.721 103 2HB ARG 13 1HB ARG 13 1.586 7.358 13.471 104 1HG ARG 13 2HG ARG 13 4.031 7.848 13.492 105 2HG ARG 13 1HG ARG 13 4.036 7.905 11.737 106 1HD ARG 13 2HD ARG 13 2.414 9.829 11.819 107 2HD ARG 13 1HD ARG 13 2.445 9.752 13.575 108 HE ARG 13 HE ARG 13 4.547 10.785 13.563 109 1HH1 ARG 13 2HH1 ARG 13 3.755 9.620 10.394 110 2HH1 ARG 13 1HH1 ARG 13 5.106 10.404 9.648 111 1HH2 ARG 13 1HH2 ARG 13 6.260 11.780 12.638 112 2HH2 ARG 13 2HH2 ARG 13 6.546 11.643 10.934 113 H ASN 14 H ASN 14 1.638 5.282 14.742 114 HA ASN 14 HA ASN 14 4.097 5.243 16.284 115 1HB ASN 14 2HB ASN 14 1.906 6.095 17.154 116 2HB ASN 14 1HB ASN 14 1.251 4.468 17.068 117 1HD2 ASN 14 1HD2 ASN 14 3.999 6.262 18.547 118 2HD2 ASN 14 2HD2 ASN 14 4.033 5.335 19.969 119 H HIS 15 H HIS 15 2.859 2.969 14.259 120 HA HIS 15 HA HIS 15 4.324 0.793 15.641 121 1HB HIS 15 2HB HIS 15 1.827 0.720 16.254 122 2HB HIS 15 1HB HIS 15 1.476 0.366 14.578 123 HD1 HIS 15 HD1 HIS 15 3.673 -1.716 14.024 124 HD2 HIS 15 HD2 HIS 15 1.479 -1.658 17.466 125 HE1 HIS 15 HE1 HIS 15 3.777 -4.002 14.958 126 H LYS 16 H LYS 16 2.123 0.747 12.905 127 HA LYS 16 HA LYS 16 2.375 0.419 10.633 128 1HB LYS 16 2HB LYS 16 4.377 2.107 11.000 129 2HB LYS 16 1HB LYS 16 5.400 0.694 10.909 130 1HG LYS 16 2HG LYS 16 4.564 0.110 8.695 131 2HG LYS 16 1HG LYS 16 3.399 1.415 8.740 132 1HD LYS 16 2HD LYS 16 6.434 1.735 8.766 133 2HD LYS 16 1HD LYS 16 5.393 2.025 7.389 134 1HE LYS 16 2HE LYS 16 5.418 3.628 9.993 135 2HE LYS 16 1HE LYS 16 5.906 4.175 8.402 136 1HZ LYS 16 1HZ LYS 16 3.794 5.001 8.628 137 2HZ LYS 16 2HZ LYS 16 3.199 3.602 9.386 138 3HZ LYS 16 3HZ LYS 16 3.539 3.587 7.721 139 H LYS 17 H LYS 17 4.742 -1.242 12.629 140 HA LYS 17 HA LYS 17 5.257 -3.405 10.836 141 1HB LYS 17 2HB LYS 17 6.753 -2.732 12.716 142 2HB LYS 17 1HB LYS 17 5.517 -3.168 13.870 143 1HG LYS 17 2HG LYS 17 5.692 -5.563 13.148 144 2HG LYS 17 1HG LYS 17 6.880 -5.112 11.942 145 1HD LYS 17 2HD LYS 17 8.031 -6.016 13.896 146 2HD LYS 17 1HD LYS 17 8.382 -4.303 13.799 147 1HE LYS 17 2HE LYS 17 6.664 -3.834 15.537 148 2HE LYS 17 1HE LYS 17 6.239 -5.540 15.590 149 1HZ LYS 17 1HZ LYS 17 7.748 -4.882 17.359 150 2HZ LYS 17 2HZ LYS 17 8.912 -4.425 16.210 151 3HZ LYS 17 3HZ LYS 17 8.442 -6.052 16.342 152 H PHE 18 H PHE 18 2.559 -2.659 12.746 153 HA PHE 18 HA PHE 18 1.587 -5.248 13.423 154 1HB PHE 18 2HB PHE 18 0.788 -2.780 14.021 155 2HB PHE 18 1HB PHE 18 -0.201 -2.943 12.600 156 HD1 PHE 18 HD1 PHE 18 -1.632 -5.276 12.513 157 HD2 PHE 18 HD2 PHE 18 -0.079 -3.506 16.069 158 HE1 PHE 18 HE1 PHE 18 -3.235 -6.548 13.859 159 HE2 PHE 18 HE2 PHE 18 -1.690 -4.776 17.401 160 HZ PHE 18 HZ PHE 18 -3.274 -6.301 16.302 161 H CYS 19 H CYS 19 1.699 -3.339 10.608 162 HA CYS 19 HA CYS 19 0.595 -5.529 8.899 163 1HB CYS 19 2HB CYS 19 -0.593 -3.871 7.558 164 2HB CYS 19 1HB CYS 19 -1.132 -3.843 9.204 165 1HN NH2 20 1HT CYS 19 1.044 -4.089 6.417 166 2HN NH2 20 2HT CYS 19 2.721 -3.900 6.233 Start of MODEL 10 1 1H PHE 1 1H PHE 1 -9.809 -3.974 18.341 2 2H PHE 1 2H PHE 1 -9.168 -3.567 19.860 3 3H PHE 1 3H PHE 1 -8.878 -5.106 19.201 4 HA PHE 1 HA PHE 1 -7.863 -2.516 18.171 5 1HB PHE 1 2HB PHE 1 -6.621 -3.430 20.157 6 2HB PHE 1 1HB PHE 1 -6.498 -5.000 19.389 7 HD1 PHE 1 HD1 PHE 1 -5.457 -1.429 19.051 8 HD2 PHE 1 HD2 PHE 1 -4.711 -5.454 17.855 9 HE1 PHE 1 HE1 PHE 1 -3.370 -0.730 17.973 10 HE2 PHE 1 HE2 PHE 1 -2.629 -4.747 16.777 11 HZ PHE 1 HZ PHE 1 -1.951 -2.385 16.832 12 H ASN 2 H ASN 2 -6.885 -5.887 17.685 13 HA ASN 2 HA ASN 2 -6.478 -7.021 15.590 14 1HB ASN 2 2HB ASN 2 -9.032 -5.540 14.808 15 2HB ASN 2 1HB ASN 2 -8.413 -7.042 14.141 16 1HD2 ASN 2 1HD2 ASN 2 -8.756 -8.990 15.278 17 2HD2 ASN 2 2HD2 ASN 2 -9.695 -9.077 16.690 18 H TRP 3 H TRP 3 -7.420 -5.850 13.175 19 HA TRP 3 HA TRP 3 -5.094 -4.151 12.495 20 1HB TRP 3 2HB TRP 3 -6.872 -4.657 10.192 21 2HB TRP 3 1HB TRP 3 -5.240 -5.248 10.444 22 HD1 TRP 3 HD1 TRP 3 -5.022 -7.882 10.827 23 HE1 TRP 3 HE1 TRP 3 -6.715 -9.627 11.370 24 HE3 TRP 3 HE3 TRP 3 -9.094 -4.986 11.530 25 HZ2 TRP 3 HZ2 TRP 3 -9.482 -9.894 12.061 26 HZ3 TRP 3 HZ3 TRP 3 -11.261 -5.997 12.155 27 HH2 TRP 3 HH2 TRP 3 -11.448 -8.447 12.427 28 H ARG 4 H ARG 4 -7.851 -3.458 13.864 29 HA ARG 4 HA ARG 4 -9.145 -1.524 12.259 30 1HB ARG 4 2HB ARG 4 -8.767 -1.471 15.270 31 2HB ARG 4 1HB ARG 4 -9.893 -0.483 14.386 32 1HG ARG 4 2HG ARG 4 -10.999 -2.586 13.509 33 2HG ARG 4 1HG ARG 4 -9.942 -3.540 14.523 34 1HD ARG 4 2HD ARG 4 -11.985 -1.481 15.456 35 2HD ARG 4 1HD ARG 4 -12.069 -3.223 15.698 36 HE ARG 4 HE ARG 4 -9.672 -2.478 16.897 37 1HH1 ARG 4 2HH1 ARG 4 -13.010 -1.585 17.167 38 2HH1 ARG 4 1HH1 ARG 4 -12.884 -1.171 18.844 39 1HH2 ARG 4 1HH2 ARG 4 -9.495 -1.952 19.036 40 2HH2 ARG 4 2HH2 ARG 4 -10.876 -1.386 19.914 41 H CYS 5 H CYS 5 -6.449 -1.410 14.371 42 HA CYS 5 HA CYS 5 -5.880 1.429 14.144 43 1HB CYS 5 2HB CYS 5 -4.887 -0.889 15.619 44 2HB CYS 5 1HB CYS 5 -3.579 0.134 15.095 45 H CYS 6 H CYS 6 -5.048 -1.371 12.368 46 HA CYS 6 HA CYS 6 -2.626 -0.483 11.107 47 1HB CYS 6 2HB CYS 6 -3.779 -2.830 11.174 48 2HB CYS 6 1HB CYS 6 -4.705 -2.257 9.820 49 H LEU 7 H LEU 7 -5.985 0.048 10.633 50 HA LEU 7 HA LEU 7 -5.791 1.382 8.040 51 1HB LEU 7 2HB LEU 7 -8.096 1.303 10.035 52 2HB LEU 7 1HB LEU 7 -8.211 1.787 8.358 53 HG LEU 7 HG LEU 7 -7.380 -1.011 9.275 54 1HD1 LEU 7 1HD1 LEU 7 -9.649 -1.689 8.529 55 2HD1 LEU 7 2HD1 LEU 7 -10.044 -0.014 8.176 56 3HD1 LEU 7 3HD1 LEU 7 -9.747 -0.519 9.831 57 1HD2 LEU 7 1HD2 LEU 7 -8.123 0.056 6.509 58 2HD2 LEU 7 2HD2 LEU 7 -7.739 -1.615 6.890 59 3HD2 LEU 7 3HD2 LEU 7 -6.500 -0.384 7.015 60 H ILE 8 H ILE 8 -5.933 2.298 11.419 61 HA ILE 8 HA ILE 8 -6.305 5.136 10.855 62 HB ILE 8 HB ILE 8 -5.393 3.821 13.474 63 1HG1 ILE 8 2HG1 ILE 8 -8.198 4.705 12.606 64 2HG1 ILE 8 1HG1 ILE 8 -7.671 3.041 12.552 65 1HG2 ILE 8 1HG2 ILE 8 -6.613 6.566 12.868 66 2HG2 ILE 8 2HG2 ILE 8 -4.928 6.291 13.259 67 3HG2 ILE 8 3HG2 ILE 8 -6.160 5.999 14.461 68 1HD1 ILE 8 1HD1 ILE 8 -8.927 3.469 14.622 69 2HD1 ILE 8 2HD1 ILE 8 -7.819 4.750 15.073 70 3HD1 ILE 8 3HD1 ILE 8 -7.259 3.086 15.011 71 HA PRO 9 HA PRO 9 -1.938 5.764 10.117 72 1HB PRO 9 2HB PRO 9 -1.914 8.524 10.053 73 2HB PRO 9 1HB PRO 9 -2.550 7.549 8.730 74 1HG PRO 9 2HG PRO 9 -4.041 9.006 10.900 75 2HG PRO 9 1HG PRO 9 -4.527 8.767 9.235 76 1HD PRO 9 2HD PRO 9 -5.530 7.316 11.315 77 2HD PRO 9 1HD PRO 9 -5.508 6.755 9.639 78 H ALA 10 H ALA 10 -3.562 7.763 12.453 79 HA ALA 10 HA ALA 10 -1.374 8.461 14.110 80 1HB ALA 10 1HB ALA 10 -3.123 8.953 15.822 81 2HB ALA 10 2HB ALA 10 -4.300 8.085 14.849 82 3HB ALA 10 3HB ALA 10 -3.572 9.561 14.236 83 H CYS 11 H CYS 11 -2.590 5.374 13.642 84 HA CYS 11 HA CYS 11 -1.489 4.450 16.270 85 1HB CYS 11 2HB CYS 11 -4.011 4.194 15.804 86 2HB CYS 11 1HB CYS 11 -3.545 2.990 14.655 87 H ARG 12 H ARG 12 -1.976 3.534 12.893 88 HA ARG 12 HA ARG 12 -0.387 1.164 12.943 89 1HB ARG 12 2HB ARG 12 -0.271 1.319 10.511 90 2HB ARG 12 1HB ARG 12 -1.871 1.753 11.040 91 1HG ARG 12 2HG ARG 12 -1.718 3.626 9.816 92 2HG ARG 12 1HG ARG 12 -0.518 4.233 10.939 93 1HD ARG 12 2HD ARG 12 0.077 2.511 8.495 94 2HD ARG 12 1HD ARG 12 0.237 4.263 8.531 95 HE ARG 12 HE ARG 12 1.821 3.546 10.618 96 1HH1 ARG 12 2HH1 ARG 12 1.581 2.370 7.361 97 2HH1 ARG 12 1HH1 ARG 12 3.252 1.927 7.288 98 1HH2 ARG 12 1HH2 ARG 12 3.934 2.990 10.533 99 2HH2 ARG 12 2HH2 ARG 12 4.600 2.284 9.099 100 H ARG 13 H ARG 13 0.551 4.496 12.785 101 HA ARG 13 HA ARG 13 3.251 4.141 11.850 102 1HB ARG 13 2HB ARG 13 1.974 6.293 13.588 103 2HB ARG 13 1HB ARG 13 3.593 6.419 12.918 104 1HG ARG 13 2HG ARG 13 2.770 6.352 10.659 105 2HG ARG 13 1HG ARG 13 1.154 5.919 11.153 106 1HD ARG 13 2HD ARG 13 1.089 8.174 12.423 107 2HD ARG 13 1HD ARG 13 2.590 8.579 11.605 108 HE ARG 13 HE ARG 13 -0.072 8.426 10.405 109 1HH1 ARG 13 2HH1 ARG 13 3.349 8.365 9.836 110 2HH1 ARG 13 1HH1 ARG 13 3.192 8.852 8.183 111 1HH2 ARG 13 1HH2 ARG 13 -0.291 9.034 8.325 112 2HH2 ARG 13 2HH2 ARG 13 1.099 9.236 7.311 113 H ASN 14 H ASN 14 1.698 4.029 14.962 114 HA ASN 14 HA ASN 14 4.099 3.788 16.570 115 1HB ASN 14 2HB ASN 14 1.257 2.848 17.239 116 2HB ASN 14 1HB ASN 14 2.544 3.179 18.386 117 1HD2 ASN 14 1HD2 ASN 14 2.833 5.336 19.066 118 2HD2 ASN 14 2HD2 ASN 14 1.934 6.643 18.459 119 H HIS 15 H HIS 15 1.895 1.679 14.936 120 HA HIS 15 HA HIS 15 3.343 -0.791 15.763 121 1HB HIS 15 2HB HIS 15 0.791 -0.512 14.098 122 2HB HIS 15 1HB HIS 15 1.387 -1.972 14.875 123 HD1 HIS 15 HD1 HIS 15 1.852 -1.138 17.666 124 HD2 HIS 15 HD2 HIS 15 -1.331 0.340 15.584 125 HE1 HIS 15 HE1 HIS 15 0.216 -0.373 19.349 126 H LYS 16 H LYS 16 4.392 1.272 14.040 127 HA LYS 16 HA LYS 16 4.495 1.279 11.443 128 1HB LYS 16 2HB LYS 16 7.164 1.154 11.725 129 2HB LYS 16 1HB LYS 16 6.201 2.501 12.265 130 1HG LYS 16 2HG LYS 16 7.860 1.829 13.954 131 2HG LYS 16 1HG LYS 16 6.238 1.674 14.578 132 1HD LYS 16 2HD LYS 16 6.280 -0.734 14.327 133 2HD LYS 16 1HD LYS 16 7.809 -0.689 13.454 134 1HE LYS 16 2HE LYS 16 7.340 0.175 16.350 135 2HE LYS 16 1HE LYS 16 8.088 -1.335 15.851 136 1HZ LYS 16 1HZ LYS 16 9.696 0.192 14.589 137 2HZ LYS 16 2HZ LYS 16 9.875 0.007 16.269 138 3HZ LYS 16 3HZ LYS 16 9.132 1.400 15.641 139 H LYS 17 H LYS 17 5.772 -1.640 12.976 140 HA LYS 17 HA LYS 17 6.475 -2.696 10.318 141 1HB LYS 17 2HB LYS 17 8.051 -3.012 12.290 142 2HB LYS 17 1HB LYS 17 6.794 -3.889 13.123 143 1HG LYS 17 2HG LYS 17 8.411 -5.463 12.133 144 2HG LYS 17 1HG LYS 17 6.835 -5.677 11.415 145 1HD LYS 17 2HD LYS 17 8.595 -5.742 9.686 146 2HD LYS 17 1HD LYS 17 7.546 -4.373 9.412 147 1HE LYS 17 2HE LYS 17 9.946 -3.760 9.148 148 2HE LYS 17 1HE LYS 17 9.238 -2.863 10.478 149 1HZ LYS 17 1HZ LYS 17 11.467 -3.955 10.853 150 2HZ LYS 17 2HZ LYS 17 10.630 -5.432 10.901 151 3HZ LYS 17 3HZ LYS 17 10.275 -4.220 12.035 152 H PHE 18 H PHE 18 4.394 -3.487 12.985 153 HA PHE 18 HA PHE 18 3.150 -5.798 11.899 154 1HB PHE 18 2HB PHE 18 2.952 -4.840 14.234 155 2HB PHE 18 1HB PHE 18 1.863 -3.642 13.601 156 HD1 PHE 18 HD1 PHE 18 -0.434 -4.102 13.210 157 HD2 PHE 18 HD2 PHE 18 2.231 -7.340 13.981 158 HE1 PHE 18 HE1 PHE 18 -2.341 -5.632 13.383 159 HE2 PHE 18 HE2 PHE 18 0.318 -8.866 14.154 160 HZ PHE 18 HZ PHE 18 -1.971 -8.016 13.855 161 H CYS 19 H CYS 19 2.913 -2.534 11.341 162 HA CYS 19 HA CYS 19 1.299 -2.717 8.898 163 1HB CYS 19 2HB CYS 19 0.158 -1.454 11.388 164 2HB CYS 19 1HB CYS 19 -0.429 -1.084 9.786 165 1HN NH2 20 1HT CYS 19 2.139 -0.240 11.382 166 2HN NH2 20 2HT CYS 19 2.919 0.809 10.303 Start of MODEL 11 1 1H PHE 1 1H PHE 1 -8.003 -5.666 18.282 2 2H PHE 1 2H PHE 1 -8.943 -4.297 17.923 3 3H PHE 1 3H PHE 1 -8.132 -4.403 19.413 4 HA PHE 1 HA PHE 1 -7.100 -2.923 17.679 5 1HB PHE 1 2HB PHE 1 -5.803 -3.723 19.655 6 2HB PHE 1 1HB PHE 1 -5.553 -5.288 18.911 7 HD1 PHE 1 HD1 PHE 1 -4.900 -1.640 18.225 8 HD2 PHE 1 HD2 PHE 1 -3.532 -5.653 17.769 9 HE1 PHE 1 HE1 PHE 1 -2.824 -0.825 17.200 10 HE2 PHE 1 HE2 PHE 1 -1.464 -4.828 16.749 11 HZ PHE 1 HZ PHE 1 -1.104 -2.420 16.460 12 H ASN 2 H ASN 2 -5.481 -5.996 17.053 13 HA ASN 2 HA ASN 2 -4.901 -6.943 14.905 14 1HB ASN 2 2HB ASN 2 -7.744 -6.039 14.229 15 2HB ASN 2 1HB ASN 2 -6.819 -7.321 13.467 16 1HD2 ASN 2 1HD2 ASN 2 -6.926 -9.375 14.350 17 2HD2 ASN 2 2HD2 ASN 2 -7.699 -9.743 15.816 18 H TRP 3 H TRP 3 -6.155 -5.871 12.573 19 HA TRP 3 HA TRP 3 -4.278 -3.662 11.970 20 1HB TRP 3 2HB TRP 3 -5.982 -4.416 9.669 21 2HB TRP 3 1HB TRP 3 -4.248 -4.626 9.837 22 HD1 TRP 3 HD1 TRP 3 -3.406 -7.155 10.082 23 HE1 TRP 3 HE1 TRP 3 -4.638 -9.273 10.539 24 HE3 TRP 3 HE3 TRP 3 -8.024 -5.327 10.986 25 HZ2 TRP 3 HZ2 TRP 3 -7.253 -10.212 11.237 26 HZ3 TRP 3 HZ3 TRP 3 -9.883 -6.850 11.569 27 HH2 TRP 3 HH2 TRP 3 -9.491 -9.284 11.701 28 H ARG 4 H ARG 4 -7.159 -3.777 13.332 29 HA ARG 4 HA ARG 4 -8.793 -1.978 11.866 30 1HB ARG 4 2HB ARG 4 -8.599 -2.252 14.891 31 2HB ARG 4 1HB ARG 4 -9.893 -1.495 14.025 32 1HG ARG 4 2HG ARG 4 -9.119 -4.439 13.738 33 2HG ARG 4 1HG ARG 4 -10.447 -3.854 14.717 34 1HD ARG 4 2HD ARG 4 -11.537 -2.923 12.661 35 2HD ARG 4 1HD ARG 4 -10.209 -3.558 11.687 36 HE ARG 4 HE ARG 4 -11.288 -5.669 13.274 37 1HH1 ARG 4 2HH1 ARG 4 -12.028 -3.636 10.568 38 2HH1 ARG 4 1HH1 ARG 4 -13.053 -4.812 9.819 39 1HH2 ARG 4 1HH2 ARG 4 -12.580 -7.174 12.345 40 2HH2 ARG 4 2HH2 ARG 4 -13.373 -6.847 10.839 41 H CYS 5 H CYS 5 -6.295 -1.618 14.141 42 HA CYS 5 HA CYS 5 -6.337 1.277 14.381 43 1HB CYS 5 2HB CYS 5 -5.309 -0.820 15.831 44 2HB CYS 5 1HB CYS 5 -3.872 -0.149 15.130 45 H CYS 6 H CYS 6 -4.881 -1.072 12.321 46 HA CYS 6 HA CYS 6 -2.684 0.481 11.283 47 1HB CYS 6 2HB CYS 6 -3.028 -1.996 10.970 48 2HB CYS 6 1HB CYS 6 -4.234 -1.642 9.769 49 H LEU 7 H LEU 7 -6.072 0.531 10.836 50 HA LEU 7 HA LEU 7 -6.118 1.917 8.258 51 1HB LEU 7 2HB LEU 7 -8.325 1.642 10.351 52 2HB LEU 7 1HB LEU 7 -8.548 2.104 8.679 53 HG LEU 7 HG LEU 7 -7.472 -0.608 9.578 54 1HD1 LEU 7 1HD1 LEU 7 -10.233 0.164 8.546 55 2HD1 LEU 7 2HD1 LEU 7 -9.852 -0.306 10.196 56 3HD1 LEU 7 3HD1 LEU 7 -9.696 -1.472 8.895 57 1HD2 LEU 7 1HD2 LEU 7 -8.357 0.374 6.826 58 2HD2 LEU 7 2HD2 LEU 7 -7.846 -1.261 7.208 59 3HD2 LEU 7 3HD2 LEU 7 -6.696 0.057 7.297 60 H ILE 8 H ILE 8 -5.610 2.708 11.488 61 HA ILE 8 HA ILE 8 -6.414 5.537 11.239 62 HB ILE 8 HB ILE 8 -4.884 4.305 13.549 63 1HG1 ILE 8 2HG1 ILE 8 -6.816 2.846 13.229 64 2HG1 ILE 8 1HG1 ILE 8 -6.990 3.771 14.704 65 1HG2 ILE 8 1HG2 ILE 8 -6.768 6.685 13.355 66 2HG2 ILE 8 2HG2 ILE 8 -5.026 6.738 13.527 67 3HG2 ILE 8 3HG2 ILE 8 -6.009 6.133 14.840 68 1HD1 ILE 8 1HD1 ILE 8 -9.091 3.634 13.472 69 2HD1 ILE 8 2HD1 ILE 8 -8.341 4.326 12.042 70 3HD1 ILE 8 3HD1 ILE 8 -8.542 5.305 13.497 71 HA PRO 9 HA PRO 9 -2.140 6.404 10.135 72 1HB PRO 9 2HB PRO 9 -2.195 9.154 10.257 73 2HB PRO 9 1HB PRO 9 -2.962 8.263 8.942 74 1HG PRO 9 2HG PRO 9 -4.235 9.490 11.387 75 2HG PRO 9 1HG PRO 9 -4.895 9.397 9.768 76 1HD PRO 9 2HD PRO 9 -5.638 7.720 11.792 77 2HD PRO 9 1HD PRO 9 -5.792 7.326 10.076 78 H ALA 10 H ALA 10 -3.635 8.012 12.816 79 HA ALA 10 HA ALA 10 -1.250 8.641 14.283 80 1HB ALA 10 1HB ALA 10 -2.827 9.054 16.169 81 2HB ALA 10 2HB ALA 10 -4.112 8.287 15.249 82 3HB ALA 10 3HB ALA 10 -3.394 9.784 14.677 83 H CYS 11 H CYS 11 -2.598 5.635 13.683 84 HA CYS 11 HA CYS 11 -1.332 4.483 16.146 85 1HB CYS 11 2HB CYS 11 -3.890 4.246 15.837 86 2HB CYS 11 1HB CYS 11 -3.485 3.163 14.560 87 H ARG 12 H ARG 12 -2.038 3.893 12.744 88 HA ARG 12 HA ARG 12 -0.664 1.455 12.397 89 1HB ARG 12 2HB ARG 12 -0.422 1.995 10.044 90 2HB ARG 12 1HB ARG 12 -1.962 2.622 10.588 91 1HG ARG 12 2HG ARG 12 -0.916 4.896 10.861 92 2HG ARG 12 1HG ARG 12 0.608 4.260 10.282 93 1HD ARG 12 2HD ARG 12 -0.474 5.382 8.502 94 2HD ARG 12 1HD ARG 12 -0.331 3.663 8.151 95 HE ARG 12 HE ARG 12 -2.773 3.546 9.063 96 1HH1 ARG 12 2HH1 ARG 12 -1.476 6.289 7.349 97 2HH1 ARG 12 1HH1 ARG 12 -3.033 6.776 6.778 98 1HH2 ARG 12 1HH2 ARG 12 -4.705 4.156 8.343 99 2HH2 ARG 12 2HH2 ARG 12 -4.888 5.560 7.344 100 H ARG 13 H ARG 13 0.570 4.683 12.528 101 HA ARG 13 HA ARG 13 3.228 4.137 11.724 102 1HB ARG 13 2HB ARG 13 2.268 6.420 11.779 103 2HB ARG 13 1HB ARG 13 2.135 6.350 13.522 104 1HG ARG 13 2HG ARG 13 4.122 7.647 12.910 105 2HG ARG 13 1HG ARG 13 4.628 6.173 13.702 106 1HD ARG 13 2HD ARG 13 5.061 5.146 11.410 107 2HD ARG 13 1HD ARG 13 4.598 6.680 10.687 108 HE ARG 13 HE ARG 13 6.657 7.584 11.354 109 1HH1 ARG 13 2HH1 ARG 13 6.054 4.576 12.971 110 2HH1 ARG 13 1HH1 ARG 13 7.651 4.485 13.634 111 1HH2 ARG 13 1HH2 ARG 13 8.681 7.485 12.184 112 2HH2 ARG 13 2HH2 ARG 13 9.159 6.155 13.183 113 H ASN 14 H ASN 14 1.681 4.295 14.873 114 HA ASN 14 HA ASN 14 3.913 3.917 16.568 115 1HB ASN 14 2HB ASN 14 1.640 4.600 17.352 116 2HB ASN 14 1HB ASN 14 1.034 2.988 17.005 117 1HD2 ASN 14 1HD2 ASN 14 3.243 4.806 19.115 118 2HD2 ASN 14 2HD2 ASN 14 3.348 3.609 20.315 119 H HIS 15 H HIS 15 1.993 1.603 14.795 120 HA HIS 15 HA HIS 15 3.887 -0.573 15.607 121 1HB HIS 15 2HB HIS 15 1.964 -2.148 15.648 122 2HB HIS 15 1HB HIS 15 1.688 -0.839 16.773 123 HD1 HIS 15 HD1 HIS 15 0.506 -1.955 13.400 124 HD2 HIS 15 HD2 HIS 15 -0.553 0.720 16.293 125 HE1 HIS 15 HE1 HIS 15 -1.702 -1.080 12.755 126 H LYS 16 H LYS 16 4.311 1.019 13.498 127 HA LYS 16 HA LYS 16 3.258 0.397 11.019 128 1HB LYS 16 2HB LYS 16 4.894 2.225 11.484 129 2HB LYS 16 1HB LYS 16 6.162 1.036 11.687 130 1HG LYS 16 2HG LYS 16 6.292 2.009 9.441 131 2HG LYS 16 1HG LYS 16 5.868 0.319 9.305 132 1HD LYS 16 2HD LYS 16 3.422 1.017 9.072 133 2HD LYS 16 1HD LYS 16 3.939 2.692 9.135 134 1HE LYS 16 2HE LYS 16 3.644 1.976 6.797 135 2HE LYS 16 1HE LYS 16 5.353 2.271 7.092 136 1HZ LYS 16 1HZ LYS 16 4.682 0.142 5.907 137 2HZ LYS 16 2HZ LYS 16 4.191 -0.416 7.435 138 3HZ LYS 16 3HZ LYS 16 5.811 0.021 7.171 139 H LYS 17 H LYS 17 5.443 -1.512 12.922 140 HA LYS 17 HA LYS 17 6.137 -3.268 10.718 141 1HB LYS 17 2HB LYS 17 7.697 -2.890 12.673 142 2HB LYS 17 1HB LYS 17 6.491 -3.538 13.757 143 1HG LYS 17 2HG LYS 17 8.159 -5.237 13.438 144 2HG LYS 17 1HG LYS 17 6.720 -5.780 12.619 145 1HD LYS 17 2HD LYS 17 8.846 -4.281 11.057 146 2HD LYS 17 1HD LYS 17 9.114 -5.959 11.459 147 1HE LYS 17 2HE LYS 17 6.753 -4.912 9.813 148 2HE LYS 17 1HE LYS 17 8.146 -5.782 9.221 149 1HZ LYS 17 1HZ LYS 17 7.263 -7.396 11.177 150 2HZ LYS 17 2HZ LYS 17 6.911 -7.564 9.524 151 3HZ LYS 17 3HZ LYS 17 5.813 -6.773 10.550 152 H PHE 18 H PHE 18 4.005 -3.346 13.454 153 HA PHE 18 HA PHE 18 2.963 -5.979 13.149 154 1HB PHE 18 2HB PHE 18 2.541 -4.359 15.052 155 2HB PHE 18 1HB PHE 18 1.448 -3.493 14.011 156 HD1 PHE 18 HD1 PHE 18 1.862 -6.659 15.866 157 HD2 PHE 18 HD2 PHE 18 -0.708 -4.386 13.333 158 HE1 PHE 18 HE1 PHE 18 0.002 -8.173 16.383 159 HE2 PHE 18 HE2 PHE 18 -2.560 -5.905 13.852 160 HZ PHE 18 HZ PHE 18 -2.212 -7.800 15.378 161 H CYS 19 H CYS 19 2.528 -3.039 11.598 162 HA CYS 19 HA CYS 19 1.296 -4.064 9.194 163 1HB CYS 19 2HB CYS 19 -0.665 -4.134 10.860 164 2HB CYS 19 1HB CYS 19 -0.549 -2.411 10.916 165 1HN NH2 20 1HT CYS 19 2.279 -2.673 7.733 166 2HN NH2 20 2HT CYS 19 2.459 -0.997 7.939 Start of MODEL 12 1 1H PHE 1 1H PHE 1 -10.106 -4.858 17.470 2 2H PHE 1 2H PHE 1 -9.461 -5.448 18.927 3 3H PHE 1 3H PHE 1 -9.333 -6.370 17.505 4 HA PHE 1 HA PHE 1 -8.183 -3.680 17.565 5 1HB PHE 1 2HB PHE 1 -7.252 -4.736 19.607 6 2HB PHE 1 1HB PHE 1 -6.967 -6.242 18.756 7 HD1 PHE 1 HD1 PHE 1 -4.685 -6.607 18.484 8 HD2 PHE 1 HD2 PHE 1 -6.135 -2.627 17.992 9 HE1 PHE 1 HE1 PHE 1 -2.432 -5.857 17.893 10 HE2 PHE 1 HE2 PHE 1 -3.870 -1.887 17.398 11 HZ PHE 1 HZ PHE 1 -2.017 -3.496 17.346 12 H ASN 2 H ASN 2 -6.470 -6.674 16.838 13 HA ASN 2 HA ASN 2 -5.593 -7.388 14.703 14 1HB ASN 2 2HB ASN 2 -8.268 -6.331 13.656 15 2HB ASN 2 1HB ASN 2 -7.254 -7.582 12.962 16 1HD2 ASN 2 1HD2 ASN 2 -9.350 -6.863 15.739 17 2HD2 ASN 2 2HD2 ASN 2 -9.648 -8.487 16.138 18 H TRP 3 H TRP 3 -6.334 -6.104 12.318 19 HA TRP 3 HA TRP 3 -4.406 -3.878 12.275 20 1HB TRP 3 2HB TRP 3 -5.758 -4.304 9.678 21 2HB TRP 3 1HB TRP 3 -4.075 -4.589 10.080 22 HD1 TRP 3 HD1 TRP 3 -3.321 -7.162 10.184 23 HE1 TRP 3 HE1 TRP 3 -4.647 -9.272 10.189 24 HE3 TRP 3 HE3 TRP 3 -7.990 -5.280 10.529 25 HZ2 TRP 3 HZ2 TRP 3 -7.357 -10.188 10.345 26 HZ3 TRP 3 HZ3 TRP 3 -9.947 -6.785 10.629 27 HH2 TRP 3 HH2 TRP 3 -9.624 -9.235 10.548 28 H ARG 4 H ARG 4 -7.470 -4.016 13.177 29 HA ARG 4 HA ARG 4 -8.892 -2.066 11.720 30 1HB ARG 4 2HB ARG 4 -9.000 -2.608 14.706 31 2HB ARG 4 1HB ARG 4 -10.152 -1.673 13.812 32 1HG ARG 4 2HG ARG 4 -10.875 -3.568 12.487 33 2HG ARG 4 1HG ARG 4 -9.542 -4.559 13.036 34 1HD ARG 4 2HD ARG 4 -11.735 -5.114 14.137 35 2HD ARG 4 1HD ARG 4 -10.499 -4.700 15.302 36 HE ARG 4 HE ARG 4 -12.823 -3.016 14.511 37 1HH1 ARG 4 2HH1 ARG 4 -9.976 -3.450 16.468 38 2HH1 ARG 4 1HH1 ARG 4 -10.415 -2.183 17.560 39 1HH2 ARG 4 1HH2 ARG 4 -13.371 -1.416 15.887 40 2HH2 ARG 4 2HH2 ARG 4 -12.353 -1.016 17.229 41 H CYS 5 H CYS 5 -6.595 -1.882 14.241 42 HA CYS 5 HA CYS 5 -6.687 0.947 14.810 43 1HB CYS 5 2HB CYS 5 -5.726 -1.030 16.159 44 2HB CYS 5 1HB CYS 5 -4.311 -0.863 15.177 45 H CYS 6 H CYS 6 -4.763 -1.110 12.726 46 HA CYS 6 HA CYS 6 -2.889 0.803 11.771 47 1HB CYS 6 2HB CYS 6 -4.055 -1.554 10.259 48 2HB CYS 6 1HB CYS 6 -2.645 -0.665 9.786 49 H LEU 7 H LEU 7 -6.212 0.812 11.279 50 HA LEU 7 HA LEU 7 -6.218 1.996 8.595 51 1HB LEU 7 2HB LEU 7 -8.404 1.982 10.742 52 2HB LEU 7 1HB LEU 7 -8.639 2.354 9.049 53 HG LEU 7 HG LEU 7 -7.689 -0.358 10.107 54 1HD1 LEU 7 1HD1 LEU 7 -10.051 0.121 10.722 55 2HD1 LEU 7 2HD1 LEU 7 -9.966 -1.137 9.501 56 3HD1 LEU 7 3HD1 LEU 7 -10.418 0.499 9.046 57 1HD2 LEU 7 1HD2 LEU 7 -8.131 -1.141 7.794 58 2HD2 LEU 7 2HD2 LEU 7 -6.912 0.116 7.777 59 3HD2 LEU 7 3HD2 LEU 7 -8.562 0.490 7.307 60 H ILE 8 H ILE 8 -6.168 2.959 11.922 61 HA ILE 8 HA ILE 8 -6.490 5.819 11.421 62 HB ILE 8 HB ILE 8 -5.511 4.334 13.939 63 1HG1 ILE 8 2HG1 ILE 8 -7.759 4.990 14.902 64 2HG1 ILE 8 1HG1 ILE 8 -8.243 5.582 13.330 65 1HG2 ILE 8 1HG2 ILE 8 -4.698 6.700 13.820 66 2HG2 ILE 8 2HG2 ILE 8 -5.876 6.510 15.102 67 3HG2 ILE 8 3HG2 ILE 8 -6.352 7.245 13.587 68 1HD1 ILE 8 1HD1 ILE 8 -7.527 2.698 13.961 69 2HD1 ILE 8 2HD1 ILE 8 -8.100 3.284 12.407 70 3HD1 ILE 8 3HD1 ILE 8 -9.152 3.333 13.795 71 HA PRO 9 HA PRO 9 -2.316 6.022 10.039 72 1HB PRO 9 2HB PRO 9 -1.872 8.748 10.107 73 2HB PRO 9 1HB PRO 9 -2.910 7.979 8.909 74 1HG PRO 9 2HG PRO 9 -3.685 9.451 11.417 75 2HG PRO 9 1HG PRO 9 -4.532 9.419 9.883 76 1HD PRO 9 2HD PRO 9 -5.298 7.974 12.051 77 2HD PRO 9 1HD PRO 9 -5.698 7.521 10.391 78 H ALA 10 H ALA 10 -3.170 7.712 12.919 79 HA ALA 10 HA ALA 10 -0.564 8.121 14.031 80 1HB ALA 10 1HB ALA 10 -1.791 8.470 16.169 81 2HB ALA 10 2HB ALA 10 -3.244 7.806 15.436 82 3HB ALA 10 3HB ALA 10 -2.568 9.313 14.838 83 H CYS 11 H CYS 11 -2.679 5.357 14.033 84 HA CYS 11 HA CYS 11 -1.149 3.913 16.095 85 1HB CYS 11 2HB CYS 11 -3.624 3.576 15.738 86 2HB CYS 11 1HB CYS 11 -3.239 2.859 14.205 87 H ARG 12 H ARG 12 -1.788 3.743 12.686 88 HA ARG 12 HA ARG 12 -0.172 1.511 11.985 89 1HB ARG 12 2HB ARG 12 -1.916 3.049 10.621 90 2HB ARG 12 1HB ARG 12 -0.473 3.893 10.123 91 1HG ARG 12 2HG ARG 12 -0.978 0.913 9.751 92 2HG ARG 12 1HG ARG 12 -1.203 2.123 8.512 93 1HD ARG 12 2HD ARG 12 1.266 2.662 8.624 94 2HD ARG 12 1HD ARG 12 1.447 1.383 9.820 95 HE ARG 12 HE ARG 12 1.317 -0.202 8.145 96 1HH1 ARG 12 2HH1 ARG 12 0.085 2.822 6.991 97 2HH1 ARG 12 1HH1 ARG 12 -0.074 2.262 5.360 98 1HH2 ARG 12 1HH2 ARG 12 1.124 -0.933 6.099 99 2HH2 ARG 12 2HH2 ARG 12 0.523 0.101 4.846 100 H ARG 13 H ARG 13 0.504 4.879 12.510 101 HA ARG 13 HA ARG 13 3.295 4.751 11.644 102 1HB ARG 13 2HB ARG 13 1.933 6.851 11.530 103 2HB ARG 13 1HB ARG 13 1.824 6.870 13.281 104 1HG ARG 13 2HG ARG 13 4.304 7.063 13.432 105 2HG ARG 13 1HG ARG 13 4.421 6.987 11.682 106 1HD ARG 13 2HD ARG 13 3.044 9.100 11.536 107 2HD ARG 13 1HD ARG 13 2.998 9.153 13.294 108 HE ARG 13 HE ARG 13 5.217 9.905 13.306 109 1HH1 ARG 13 2HH1 ARG 13 4.394 8.611 10.196 110 2HH1 ARG 13 1HH1 ARG 13 5.864 9.152 9.459 111 1HH2 ARG 13 1HH2 ARG 13 7.079 10.596 12.393 112 2HH2 ARG 13 2HH2 ARG 13 7.407 10.291 10.718 113 H ASN 14 H ASN 14 1.529 4.721 14.683 114 HA ASN 14 HA ASN 14 3.750 4.772 16.466 115 1HB ASN 14 2HB ASN 14 1.431 5.204 17.214 116 2HB ASN 14 1HB ASN 14 0.979 3.546 16.842 117 1HD2 ASN 14 1HD2 ASN 14 3.688 5.108 18.660 118 2HD2 ASN 14 2HD2 ASN 14 3.528 4.114 20.028 119 H HIS 15 H HIS 15 2.282 2.168 14.697 120 HA HIS 15 HA HIS 15 3.985 0.139 16.067 121 1HB HIS 15 2HB HIS 15 1.673 -0.238 14.104 122 2HB HIS 15 1HB HIS 15 2.541 -1.512 14.950 123 HD1 HIS 15 HD1 HIS 15 -0.421 -1.190 15.449 124 HD2 HIS 15 HD2 HIS 15 2.355 0.633 17.824 125 HE1 HIS 15 HE1 HIS 15 -1.535 -0.740 17.602 126 H LYS 16 H LYS 16 2.843 0.663 12.806 127 HA LYS 16 HA LYS 16 3.862 0.837 10.732 128 1HB LYS 16 2HB LYS 16 5.737 2.056 12.037 129 2HB LYS 16 1HB LYS 16 6.574 0.527 12.141 130 1HG LYS 16 2HG LYS 16 5.795 1.794 9.505 131 2HG LYS 16 1HG LYS 16 7.344 2.033 10.281 132 1HD LYS 16 2HD LYS 16 7.659 -0.519 10.217 133 2HD LYS 16 1HD LYS 16 6.215 -0.599 9.225 134 1HE LYS 16 2HE LYS 16 8.175 -0.570 7.775 135 2HE LYS 16 1HE LYS 16 7.241 0.899 7.543 136 1HZ LYS 16 1HZ LYS 16 9.691 1.188 7.761 137 2HZ LYS 16 2HZ LYS 16 9.544 0.730 9.391 138 3HZ LYS 16 3HZ LYS 16 8.760 2.127 8.827 139 H LYS 17 H LYS 17 5.759 -1.374 12.712 140 HA LYS 17 HA LYS 17 5.942 -3.366 10.646 141 1HB LYS 17 2HB LYS 17 7.021 -4.747 12.463 142 2HB LYS 17 1HB LYS 17 7.665 -3.120 12.410 143 1HG LYS 17 2HG LYS 17 5.958 -2.518 14.271 144 2HG LYS 17 1HG LYS 17 5.594 -4.224 14.367 145 1HD LYS 17 2HD LYS 17 7.204 -3.674 16.101 146 2HD LYS 17 1HD LYS 17 7.965 -4.720 14.922 147 1HE LYS 17 2HE LYS 17 9.430 -2.792 15.607 148 2HE LYS 17 1HE LYS 17 9.113 -2.778 13.885 149 1HZ LYS 17 1HZ LYS 17 7.466 -1.258 15.812 150 2HZ LYS 17 2HZ LYS 17 7.555 -1.068 14.128 151 3HZ LYS 17 3HZ LYS 17 8.871 -0.616 15.103 152 H PHE 18 H PHE 18 3.844 -3.008 13.395 153 HA PHE 18 HA PHE 18 2.604 -5.589 13.280 154 1HB PHE 18 2HB PHE 18 2.328 -3.819 15.089 155 2HB PHE 18 1HB PHE 18 1.265 -2.955 14.006 156 HD1 PHE 18 HD1 PHE 18 1.543 -6.052 16.020 157 HD2 PHE 18 HD2 PHE 18 -0.937 -3.764 13.415 158 HE1 PHE 18 HE1 PHE 18 -0.387 -7.449 16.615 159 HE2 PHE 18 HE2 PHE 18 -2.854 -5.160 14.008 160 HZ PHE 18 HZ PHE 18 -2.589 -7.007 15.612 161 H CYS 19 H CYS 19 2.435 -2.744 11.553 162 HA CYS 19 HA CYS 19 0.177 -3.655 9.790 163 1HB CYS 19 2HB CYS 19 1.312 -0.872 10.062 164 2HB CYS 19 1HB CYS 19 -0.197 -1.327 9.309 165 1HN NH2 20 1HT CYS 19 0.973 -1.742 7.649 166 2HN NH2 20 2HT CYS 19 2.341 -2.417 6.908 Start of MODEL 13 1 1H PHE 1 1H PHE 1 -9.384 -6.306 17.822 2 2H PHE 1 2H PHE 1 -10.256 -4.947 17.296 3 3H PHE 1 3H PHE 1 -9.825 -5.099 18.933 4 HA PHE 1 HA PHE 1 -8.460 -3.519 17.552 5 1HB PHE 1 2HB PHE 1 -7.664 -4.332 19.760 6 2HB PHE 1 1HB PHE 1 -7.187 -5.871 19.072 7 HD1 PHE 1 HD1 PHE 1 -6.568 -2.271 18.084 8 HD2 PHE 1 HD2 PHE 1 -4.864 -6.066 19.022 9 HE1 PHE 1 HE1 PHE 1 -4.328 -1.387 17.633 10 HE2 PHE 1 HE2 PHE 1 -2.630 -5.169 18.572 11 HZ PHE 1 HZ PHE 1 -2.355 -2.829 17.871 12 H ASN 2 H ASN 2 -6.617 -6.513 17.282 13 HA ASN 2 HA ASN 2 -5.532 -7.443 15.355 14 1HB ASN 2 2HB ASN 2 -8.012 -6.401 13.882 15 2HB ASN 2 1HB ASN 2 -6.936 -7.697 13.397 16 1HD2 ASN 2 1HD2 ASN 2 -7.363 -9.767 14.119 17 2HD2 ASN 2 2HD2 ASN 2 -8.560 -10.150 15.259 18 H TRP 3 H TRP 3 -5.810 -6.408 12.798 19 HA TRP 3 HA TRP 3 -3.772 -4.310 12.772 20 1HB TRP 3 2HB TRP 3 -4.838 -4.884 10.088 21 2HB TRP 3 1HB TRP 3 -3.256 -5.273 10.734 22 HD1 TRP 3 HD1 TRP 3 -2.770 -7.863 11.119 23 HE1 TRP 3 HE1 TRP 3 -4.272 -9.849 11.155 24 HE3 TRP 3 HE3 TRP 3 -7.276 -5.590 10.779 25 HZ2 TRP 3 HZ2 TRP 3 -7.040 -10.529 11.087 26 HZ3 TRP 3 HZ3 TRP 3 -9.352 -6.945 10.794 27 HH2 TRP 3 HH2 TRP 3 -9.228 -9.398 10.956 28 H ARG 4 H ARG 4 -6.803 -3.943 13.495 29 HA ARG 4 HA ARG 4 -7.953 -2.184 11.631 30 1HB ARG 4 2HB ARG 4 -8.229 -2.340 14.649 31 2HB ARG 4 1HB ARG 4 -9.135 -1.186 13.715 32 1HG ARG 4 2HG ARG 4 -9.185 -4.152 13.025 33 2HG ARG 4 1HG ARG 4 -10.306 -3.454 14.178 34 1HD ARG 4 2HD ARG 4 -11.234 -1.959 12.509 35 2HD ARG 4 1HD ARG 4 -10.009 -2.369 11.324 36 HE ARG 4 HE ARG 4 -12.332 -4.000 12.085 37 1HH1 ARG 4 2HH1 ARG 4 -9.232 -3.859 10.529 38 2HH1 ARG 4 1HH1 ARG 4 -9.536 -5.258 9.556 39 1HH2 ARG 4 1HH2 ARG 4 -12.727 -5.777 10.861 40 2HH2 ARG 4 2HH2 ARG 4 -11.536 -6.362 9.749 41 H CYS 5 H CYS 5 -5.644 -1.653 14.141 42 HA CYS 5 HA CYS 5 -5.612 1.197 14.193 43 1HB CYS 5 2HB CYS 5 -4.084 -0.995 15.321 44 2HB CYS 5 1HB CYS 5 -3.021 0.303 14.843 45 H CYS 6 H CYS 6 -4.253 -1.025 11.941 46 HA CYS 6 HA CYS 6 -2.172 0.616 10.839 47 1HB CYS 6 2HB CYS 6 -2.523 -1.835 10.342 48 2HB CYS 6 1HB CYS 6 -3.887 -1.397 9.345 49 H LEU 7 H LEU 7 -5.579 0.661 10.652 50 HA LEU 7 HA LEU 7 -5.829 2.261 8.224 51 1HB LEU 7 2HB LEU 7 -7.910 1.759 10.401 52 2HB LEU 7 1HB LEU 7 -8.221 2.288 8.766 53 HG LEU 7 HG LEU 7 -6.996 -0.425 9.488 54 1HD1 LEU 7 1HD1 LEU 7 -9.826 0.282 8.604 55 2HD1 LEU 7 2HD1 LEU 7 -9.361 -0.241 10.214 56 3HD1 LEU 7 3HD1 LEU 7 -9.210 -1.343 8.857 57 1HD2 LEU 7 1HD2 LEU 7 -8.034 0.655 6.825 58 2HD2 LEU 7 2HD2 LEU 7 -7.442 -0.975 7.107 59 3HD2 LEU 7 3HD2 LEU 7 -6.343 0.385 7.216 60 H ILE 8 H ILE 8 -5.859 2.824 11.700 61 HA ILE 8 HA ILE 8 -6.450 5.677 11.406 62 HB ILE 8 HB ILE 8 -5.414 4.131 13.865 63 1HG1 ILE 8 2HG1 ILE 8 -7.740 4.522 14.765 64 2HG1 ILE 8 1HG1 ILE 8 -8.220 5.184 13.221 65 1HG2 ILE 8 1HG2 ILE 8 -4.814 6.568 13.908 66 2HG2 ILE 8 2HG2 ILE 8 -6.005 6.192 15.133 67 3HG2 ILE 8 3HG2 ILE 8 -6.499 6.976 13.650 68 1HD1 ILE 8 1HD1 ILE 8 -8.962 2.849 13.488 69 2HD1 ILE 8 2HD1 ILE 8 -7.302 2.324 13.685 70 3HD1 ILE 8 3HD1 ILE 8 -7.854 2.975 12.148 71 HA PRO 9 HA PRO 9 -2.163 6.514 10.476 72 1HB PRO 9 2HB PRO 9 -2.158 9.254 10.664 73 2HB PRO 9 1HB PRO 9 -2.915 8.396 9.322 74 1HG PRO 9 2HG PRO 9 -4.214 9.605 11.762 75 2HG PRO 9 1HG PRO 9 -4.840 9.559 10.127 76 1HD PRO 9 2HD PRO 9 -5.675 7.872 12.083 77 2HD PRO 9 1HD PRO 9 -5.760 7.483 10.361 78 H ALA 10 H ALA 10 -3.649 8.134 13.156 79 HA ALA 10 HA ALA 10 -1.358 8.793 14.700 80 1HB ALA 10 1HB ALA 10 -2.975 9.014 16.582 81 2HB ALA 10 2HB ALA 10 -4.194 8.194 15.620 82 3HB ALA 10 3HB ALA 10 -3.583 9.760 15.113 83 H CYS 11 H CYS 11 -2.768 5.736 14.155 84 HA CYS 11 HA CYS 11 -1.353 4.557 16.525 85 1HB CYS 11 2HB CYS 11 -3.887 4.197 16.142 86 2HB CYS 11 1HB CYS 11 -3.407 3.184 14.820 87 H ARG 12 H ARG 12 -1.979 4.219 13.122 88 HA ARG 12 HA ARG 12 -0.354 1.982 12.507 89 1HB ARG 12 2HB ARG 12 -1.973 2.920 10.929 90 2HB ARG 12 1HB ARG 12 -1.077 4.412 10.819 91 1HG ARG 12 2HG ARG 12 0.293 1.813 10.074 92 2HG ARG 12 1HG ARG 12 -0.862 2.494 8.956 93 1HD ARG 12 2HD ARG 12 1.616 3.991 9.972 94 2HD ARG 12 1HD ARG 12 1.442 3.213 8.419 95 HE ARG 12 HE ARG 12 -0.248 4.825 7.791 96 1HH1 ARG 12 2HH1 ARG 12 1.313 5.507 10.825 97 2HH1 ARG 12 1HH1 ARG 12 0.824 7.165 10.812 98 1HH2 ARG 12 1HH2 ARG 12 -0.857 6.910 7.777 99 2HH2 ARG 12 2HH2 ARG 12 -0.414 7.969 9.074 100 H ARG 13 H ARG 13 0.483 5.312 13.039 101 HA ARG 13 HA ARG 13 3.096 5.376 11.935 102 1HB ARG 13 2HB ARG 13 3.470 7.266 13.568 103 2HB ARG 13 1HB ARG 13 1.986 7.426 12.652 104 1HG ARG 13 2HG ARG 13 0.695 6.482 14.583 105 2HG ARG 13 1HG ARG 13 2.178 6.355 15.503 106 1HD ARG 13 2HD ARG 13 1.127 8.983 14.397 107 2HD ARG 13 1HD ARG 13 0.893 8.448 16.054 108 HE ARG 13 HE ARG 13 3.338 9.528 14.935 109 1HH1 ARG 13 2HH1 ARG 13 2.039 7.333 17.288 110 2HH1 ARG 13 1HH1 ARG 13 3.422 7.450 18.323 111 1HH2 ARG 13 1HH2 ARG 13 5.094 9.687 16.232 112 2HH2 ARG 13 2HH2 ARG 13 5.177 8.800 17.718 113 H ASN 14 H ASN 14 1.965 4.415 15.113 114 HA ASN 14 HA ASN 14 4.672 3.540 15.942 115 1HB ASN 14 2HB ASN 14 3.471 3.138 18.169 116 2HB ASN 14 1HB ASN 14 3.470 4.803 17.617 117 1HD2 ASN 14 1HD2 ASN 14 1.435 1.941 18.044 118 2HD2 ASN 14 2HD2 ASN 14 -0.046 2.747 17.850 119 H HIS 15 H HIS 15 1.997 2.313 14.408 120 HA HIS 15 HA HIS 15 2.667 -0.531 15.073 121 1HB HIS 15 2HB HIS 15 -0.012 0.761 14.328 122 2HB HIS 15 1HB HIS 15 0.219 -0.970 14.321 123 HD1 HIS 15 HD1 HIS 15 -1.765 0.030 16.248 124 HD2 HIS 15 HD2 HIS 15 2.150 -0.280 17.340 125 HE1 HIS 15 HE1 HIS 15 -1.739 -0.101 18.709 126 H LYS 16 H LYS 16 4.051 1.050 13.283 127 HA LYS 16 HA LYS 16 3.259 0.954 10.600 128 1HB LYS 16 2HB LYS 16 5.136 2.287 11.497 129 2HB LYS 16 1HB LYS 16 6.061 0.835 11.814 130 1HG LYS 16 2HG LYS 16 5.990 0.303 9.344 131 2HG LYS 16 1HG LYS 16 5.150 1.814 9.068 132 1HD LYS 16 2HD LYS 16 7.944 1.518 10.264 133 2HD LYS 16 1HD LYS 16 7.592 2.015 8.623 134 1HE LYS 16 2HE LYS 16 6.847 3.567 11.149 135 2HE LYS 16 1HE LYS 16 8.076 3.998 9.976 136 1HZ LYS 16 1HZ LYS 16 6.223 5.262 9.437 137 2HZ LYS 16 2HZ LYS 16 5.153 3.952 9.596 138 3HZ LYS 16 3HZ LYS 16 6.236 4.011 8.289 139 H LYS 17 H LYS 17 5.789 -1.075 11.958 140 HA LYS 17 HA LYS 17 5.451 -3.137 9.977 141 1HB LYS 17 2HB LYS 17 7.182 -4.369 11.280 142 2HB LYS 17 1HB LYS 17 7.654 -2.701 11.092 143 1HG LYS 17 2HG LYS 17 6.320 -3.770 13.624 144 2HG LYS 17 1HG LYS 17 8.049 -3.714 13.399 145 1HD LYS 17 2HD LYS 17 7.954 -1.664 14.348 146 2HD LYS 17 1HD LYS 17 7.388 -1.093 12.802 147 1HE LYS 17 2HE LYS 17 4.979 -1.562 13.679 148 2HE LYS 17 1HE LYS 17 5.723 -1.871 15.231 149 1HZ LYS 17 1HZ LYS 17 6.526 0.590 13.949 150 2HZ LYS 17 2HZ LYS 17 6.128 0.274 15.570 151 3HZ LYS 17 3HZ LYS 17 4.899 0.507 14.423 152 H PHE 18 H PHE 18 3.773 -2.472 12.757 153 HA PHE 18 HA PHE 18 3.066 -5.098 13.677 154 1HB PHE 18 2HB PHE 18 2.628 -2.937 14.904 155 2HB PHE 18 1HB PHE 18 1.420 -2.550 13.710 156 HD1 PHE 18 HD1 PHE 18 -0.760 -3.488 13.739 157 HD2 PHE 18 HD2 PHE 18 2.218 -5.041 16.365 158 HE1 PHE 18 HE1 PHE 18 -2.469 -4.802 14.901 159 HE2 PHE 18 HE2 PHE 18 0.500 -6.354 17.525 160 HZ PHE 18 HZ PHE 18 -1.844 -6.240 16.795 161 H CYS 19 H CYS 19 2.061 -2.946 11.270 162 HA CYS 19 HA CYS 19 -0.351 -4.345 10.399 163 1HB CYS 19 2HB CYS 19 0.173 -1.887 10.012 164 2HB CYS 19 1HB CYS 19 1.311 -2.373 8.787 165 1HN NH2 20 1HT CYS 19 -0.566 -5.582 8.371 166 2HN NH2 20 2HT CYS 19 0.773 -6.392 7.712 Start of MODEL 14 1 1H PHE 1 1H PHE 1 -7.848 -4.428 19.181 2 2H PHE 1 2H PHE 1 -8.147 -5.541 17.934 3 3H PHE 1 3H PHE 1 -8.880 -4.010 17.898 4 HA PHE 1 HA PHE 1 -6.925 -2.918 17.389 5 1HB PHE 1 2HB PHE 1 -5.458 -4.110 19.058 6 2HB PHE 1 1HB PHE 1 -5.553 -5.591 18.132 7 HD1 PHE 1 HD1 PHE 1 -4.223 -2.115 18.096 8 HD2 PHE 1 HD2 PHE 1 -4.079 -5.947 16.233 9 HE1 PHE 1 HE1 PHE 1 -2.246 -1.430 16.813 10 HE2 PHE 1 HE2 PHE 1 -2.114 -5.254 14.954 11 HZ PHE 1 HZ PHE 1 -1.188 -2.993 15.241 12 H ASN 2 H ASN 2 -6.042 -6.168 16.334 13 HA ASN 2 HA ASN 2 -5.930 -7.005 14.068 14 1HB ASN 2 2HB ASN 2 -8.648 -5.599 13.926 15 2HB ASN 2 1HB ASN 2 -8.093 -6.941 12.940 16 1HD2 ASN 2 1HD2 ASN 2 -8.548 -8.994 13.660 17 2HD2 ASN 2 2HD2 ASN 2 -9.090 -9.374 15.224 18 H TRP 3 H TRP 3 -7.285 -5.608 12.001 19 HA TRP 3 HA TRP 3 -5.187 -3.663 11.260 20 1HB TRP 3 2HB TRP 3 -7.419 -3.934 9.297 21 2HB TRP 3 1HB TRP 3 -5.721 -4.313 9.061 22 HD1 TRP 3 HD1 TRP 3 -5.056 -6.940 9.085 23 HE1 TRP 3 HE1 TRP 3 -6.431 -8.967 9.546 24 HE3 TRP 3 HE3 TRP 3 -9.310 -4.776 10.709 25 HZ2 TRP 3 HZ2 TRP 3 -9.026 -9.714 10.512 26 HZ3 TRP 3 HZ3 TRP 3 -11.232 -6.156 11.422 27 HH2 TRP 3 HH2 TRP 3 -11.083 -8.622 11.329 28 H ARG 4 H ARG 4 -8.118 -3.780 12.784 29 HA ARG 4 HA ARG 4 -9.537 -1.497 12.001 30 1HB ARG 4 2HB ARG 4 -9.922 -3.456 13.859 31 2HB ARG 4 1HB ARG 4 -9.466 -2.151 14.924 32 1HG ARG 4 2HG ARG 4 -11.766 -2.100 12.933 33 2HG ARG 4 1HG ARG 4 -11.907 -2.205 14.674 34 1HD ARG 4 2HD ARG 4 -10.829 0.079 14.862 35 2HD ARG 4 1HD ARG 4 -10.831 0.157 13.096 36 HE ARG 4 HE ARG 4 -13.455 -0.426 14.191 37 1HH1 ARG 4 2HH1 ARG 4 -11.162 2.043 13.363 38 2HH1 ARG 4 1HH1 ARG 4 -12.377 3.258 13.160 39 1HH2 ARG 4 1HH2 ARG 4 -15.006 1.101 13.939 40 2HH2 ARG 4 2HH2 ARG 4 -14.583 2.720 13.489 41 H CYS 5 H CYS 5 -6.745 -1.924 13.955 42 HA CYS 5 HA CYS 5 -6.660 0.903 14.839 43 1HB CYS 5 2HB CYS 5 -6.012 -1.024 16.309 44 2HB CYS 5 1HB CYS 5 -4.677 -1.338 15.246 45 H CYS 6 H CYS 6 -4.691 -1.384 13.056 46 HA CYS 6 HA CYS 6 -2.627 0.221 12.093 47 1HB CYS 6 2HB CYS 6 -2.937 -2.260 11.902 48 2HB CYS 6 1HB CYS 6 -4.000 -1.982 10.554 49 H LEU 7 H LEU 7 -5.924 0.295 10.949 50 HA LEU 7 HA LEU 7 -5.254 1.592 8.407 51 1HB LEU 7 2HB LEU 7 -7.709 1.811 8.153 52 2HB LEU 7 1HB LEU 7 -7.262 0.190 8.613 53 HG LEU 7 HG LEU 7 -7.771 1.016 11.076 54 1HD1 LEU 7 1HD1 LEU 7 -8.152 3.448 10.524 55 2HD1 LEU 7 2HD1 LEU 7 -9.586 2.707 11.187 56 3HD1 LEU 7 3HD1 LEU 7 -9.458 2.977 9.460 57 1HD2 LEU 7 1HD2 LEU 7 -10.146 0.325 10.784 58 2HD2 LEU 7 2HD2 LEU 7 -9.072 -0.721 9.870 59 3HD2 LEU 7 3HD2 LEU 7 -9.993 0.528 9.048 60 H ILE 8 H ILE 8 -5.779 2.510 11.614 61 HA ILE 8 HA ILE 8 -6.409 5.320 11.162 62 HB ILE 8 HB ILE 8 -5.411 3.943 13.722 63 1HG1 ILE 8 2HG1 ILE 8 -8.285 4.502 12.828 64 2HG1 ILE 8 1HG1 ILE 8 -7.536 2.920 12.810 65 1HG2 ILE 8 1HG2 ILE 8 -6.884 6.580 13.319 66 2HG2 ILE 8 2HG2 ILE 8 -5.183 6.413 13.726 67 3HG2 ILE 8 3HG2 ILE 8 -6.404 5.919 14.870 68 1HD1 ILE 8 1HD1 ILE 8 -7.221 3.021 15.272 69 2HD1 ILE 8 2HD1 ILE 8 -8.911 3.168 14.823 70 3HD1 ILE 8 3HD1 ILE 8 -8.010 4.589 15.311 71 HA PRO 9 HA PRO 9 -2.193 6.205 10.285 72 1HB PRO 9 2HB PRO 9 -2.136 8.960 10.635 73 2HB PRO 9 1HB PRO 9 -2.888 8.184 9.244 74 1HG PRO 9 2HG PRO 9 -4.192 9.300 11.705 75 2HG PRO 9 1HG PRO 9 -4.804 9.291 10.060 76 1HD PRO 9 2HD PRO 9 -5.650 7.562 11.994 77 2HD PRO 9 1HD PRO 9 -5.741 7.204 10.268 78 H ALA 10 H ALA 10 -3.605 7.492 13.144 79 HA ALA 10 HA ALA 10 -1.223 8.093 14.626 80 1HB ALA 10 1HB ALA 10 -2.734 8.077 16.608 81 2HB ALA 10 2HB ALA 10 -3.992 7.326 15.636 82 3HB ALA 10 3HB ALA 10 -3.451 8.956 15.266 83 H CYS 11 H CYS 11 -2.926 5.129 14.037 84 HA CYS 11 HA CYS 11 -1.579 3.635 16.175 85 1HB CYS 11 2HB CYS 11 -3.861 3.023 15.288 86 2HB CYS 11 1HB CYS 11 -3.072 2.580 13.798 87 H ARG 12 H ARG 12 -1.573 3.540 12.624 88 HA ARG 12 HA ARG 12 0.608 1.714 12.405 89 1HB ARG 12 2HB ARG 12 0.716 2.435 10.029 90 2HB ARG 12 1HB ARG 12 -0.920 2.123 10.546 91 1HG ARG 12 2HG ARG 12 -1.208 4.113 9.382 92 2HG ARG 12 1HG ARG 12 -1.016 4.687 11.021 93 1HD ARG 12 2HD ARG 12 1.400 5.222 10.563 94 2HD ARG 12 1HD ARG 12 1.212 4.612 8.933 95 HE ARG 12 HE ARG 12 0.247 7.162 9.984 96 1HH1 ARG 12 2HH1 ARG 12 -0.102 4.746 7.517 97 2HH1 ARG 12 1HH1 ARG 12 -0.817 5.846 6.389 98 1HH2 ARG 12 1HH2 ARG 12 -0.659 8.562 8.571 99 2HH2 ARG 12 2HH2 ARG 12 -1.138 8.035 6.992 100 H ARG 13 H ARG 13 0.490 5.031 13.181 101 HA ARG 13 HA ARG 13 3.044 5.948 12.297 102 1HB ARG 13 2HB ARG 13 1.337 7.528 13.057 103 2HB ARG 13 1HB ARG 13 1.259 6.776 14.633 104 1HG ARG 13 2HG ARG 13 2.489 8.894 14.734 105 2HG ARG 13 1HG ARG 13 3.567 7.573 15.115 106 1HD ARG 13 2HD ARG 13 4.494 7.651 12.791 107 2HD ARG 13 1HD ARG 13 3.340 8.912 12.373 108 HE ARG 13 HE ARG 13 4.699 10.460 13.473 109 1HH1 ARG 13 2HH1 ARG 13 5.510 7.246 14.488 110 2HH1 ARG 13 1HH1 ARG 13 6.880 7.763 15.409 111 1HH2 ARG 13 1HH2 ARG 13 6.426 11.134 14.632 112 2HH2 ARG 13 2HH2 ARG 13 7.408 9.995 15.492 113 H ASN 14 H ASN 14 1.974 4.136 15.026 114 HA ASN 14 HA ASN 14 4.775 3.814 16.032 115 1HB ASN 14 2HB ASN 14 2.162 3.614 17.592 116 2HB ASN 14 1HB ASN 14 3.781 3.489 18.268 117 1HD2 ASN 14 1HD2 ASN 14 1.519 5.735 16.684 118 2HD2 ASN 14 2HD2 ASN 14 2.285 7.154 17.215 119 H HIS 15 H HIS 15 2.537 2.292 14.253 120 HA HIS 15 HA HIS 15 3.573 -0.384 14.972 121 1HB HIS 15 2HB HIS 15 0.597 0.326 14.841 122 2HB HIS 15 1HB HIS 15 1.185 -1.321 14.910 123 HD1 HIS 15 HD1 HIS 15 2.620 -1.844 17.123 124 HD2 HIS 15 HD2 HIS 15 0.407 1.582 17.309 125 HE1 HIS 15 HE1 HIS 15 2.477 -1.239 19.509 126 H LYS 16 H LYS 16 4.120 1.312 12.725 127 HA LYS 16 HA LYS 16 2.652 0.682 10.424 128 1HB LYS 16 2HB LYS 16 4.570 2.423 10.758 129 2HB LYS 16 1HB LYS 16 5.682 1.115 10.474 130 1HG LYS 16 2HG LYS 16 3.531 2.016 8.514 131 2HG LYS 16 1HG LYS 16 5.211 2.495 8.442 132 1HD LYS 16 2HD LYS 16 5.847 0.054 8.160 133 2HD LYS 16 1HD LYS 16 4.137 -0.342 8.096 134 1HE LYS 16 2HE LYS 16 5.004 -0.134 5.820 135 2HE LYS 16 1HE LYS 16 3.829 1.133 6.136 136 1HZ LYS 16 1HZ LYS 16 6.750 1.505 6.432 137 2HZ LYS 16 2HZ LYS 16 5.546 2.702 6.448 138 3HZ LYS 16 3HZ LYS 16 5.892 1.866 5.011 139 H LYS 17 H LYS 17 5.848 -0.677 11.107 140 HA LYS 17 HA LYS 17 5.432 -2.973 9.417 141 1HB LYS 17 2HB LYS 17 7.665 -1.952 9.985 142 2HB LYS 17 1HB LYS 17 7.511 -2.534 11.634 143 1HG LYS 17 2HG LYS 17 7.359 -4.901 10.716 144 2HG LYS 17 1HG LYS 17 7.660 -4.259 9.117 145 1HD LYS 17 2HD LYS 17 9.565 -4.012 11.487 146 2HD LYS 17 1HD LYS 17 9.700 -5.214 10.225 147 1HE LYS 17 2HE LYS 17 11.250 -3.466 9.653 148 2HE LYS 17 1HE LYS 17 9.901 -3.283 8.546 149 1HZ LYS 17 1HZ LYS 17 9.543 -1.812 10.970 150 2HZ LYS 17 2HZ LYS 17 9.433 -1.297 9.355 151 3HZ LYS 17 3HZ LYS 17 10.944 -1.354 10.128 152 H PHE 18 H PHE 18 4.832 -2.277 12.694 153 HA PHE 18 HA PHE 18 4.657 -4.815 13.908 154 1HB PHE 18 2HB PHE 18 4.388 -2.500 14.931 155 2HB PHE 18 1HB PHE 18 2.773 -2.490 14.291 156 HD1 PHE 18 HD1 PHE 18 0.984 -3.796 15.240 157 HD2 PHE 18 HD2 PHE 18 4.935 -4.117 16.805 158 HE1 PHE 18 HE1 PHE 18 0.111 -4.984 17.200 159 HE2 PHE 18 HE2 PHE 18 4.057 -5.306 18.764 160 HZ PHE 18 HZ PHE 18 1.646 -5.742 18.966 161 H CYS 19 H CYS 19 2.684 -3.132 11.749 162 HA CYS 19 HA CYS 19 0.842 -5.471 11.363 163 1HB CYS 19 2HB CYS 19 -1.053 -4.023 11.231 164 2HB CYS 19 1HB CYS 19 -0.228 -3.674 12.719 165 1HN NH2 20 1HT CYS 19 -0.628 -4.016 9.221 166 2HN NH2 20 2HT CYS 19 0.443 -3.924 7.907 Start of MODEL 15 1 1H PHE 1 1H PHE 1 -7.259 -5.972 17.627 2 2H PHE 1 2H PHE 1 -7.972 -4.440 17.806 3 3H PHE 1 3H PHE 1 -6.749 -4.939 18.875 4 HA PHE 1 HA PHE 1 -6.115 -3.319 17.052 5 1HB PHE 1 2HB PHE 1 -4.401 -4.600 18.379 6 2HB PHE 1 1HB PHE 1 -4.676 -6.035 17.415 7 HD1 PHE 1 HD1 PHE 1 -3.443 -2.513 17.208 8 HD2 PHE 1 HD2 PHE 1 -3.443 -6.368 15.388 9 HE1 PHE 1 HE1 PHE 1 -1.709 -1.782 15.631 10 HE2 PHE 1 HE2 PHE 1 -1.717 -5.629 13.819 11 HZ PHE 1 HZ PHE 1 -0.845 -3.336 13.937 12 H ASN 2 H ASN 2 -5.422 -6.481 15.639 13 HA ASN 2 HA ASN 2 -5.708 -7.139 13.323 14 1HB ASN 2 2HB ASN 2 -8.403 -5.762 13.763 15 2HB ASN 2 1HB ASN 2 -8.031 -7.040 12.615 16 1HD2 ASN 2 1HD2 ASN 2 -7.967 -9.203 13.351 17 2HD2 ASN 2 2HD2 ASN 2 -8.365 -9.644 14.941 18 H TRP 3 H TRP 3 -7.450 -5.542 11.700 19 HA TRP 3 HA TRP 3 -5.496 -3.534 10.737 20 1HB TRP 3 2HB TRP 3 -8.024 -3.676 9.169 21 2HB TRP 3 1HB TRP 3 -6.394 -4.026 8.621 22 HD1 TRP 3 HD1 TRP 3 -5.773 -6.640 8.296 23 HE1 TRP 3 HE1 TRP 3 -7.061 -8.703 8.836 24 HE3 TRP 3 HE3 TRP 3 -9.631 -4.636 10.849 25 HZ2 TRP 3 HZ2 TRP 3 -9.445 -9.540 10.200 26 HZ3 TRP 3 HZ3 TRP 3 -11.404 -6.077 11.789 27 HH2 TRP 3 HH2 TRP 3 -11.303 -8.527 11.469 28 H ARG 4 H ARG 4 -8.106 -3.753 12.741 29 HA ARG 4 HA ARG 4 -9.597 -1.424 12.328 30 1HB ARG 4 2HB ARG 4 -10.000 -3.340 13.988 31 2HB ARG 4 1HB ARG 4 -8.878 -2.542 15.048 32 1HG ARG 4 2HG ARG 4 -11.085 -1.856 15.732 33 2HG ARG 4 1HG ARG 4 -10.221 -0.478 15.095 34 1HD ARG 4 2HD ARG 4 -11.465 -0.840 12.866 35 2HD ARG 4 1HD ARG 4 -12.374 -2.110 13.674 36 HE ARG 4 HE ARG 4 -13.594 -0.460 14.802 37 1HH1 ARG 4 2HH1 ARG 4 -10.701 0.882 13.434 38 2HH1 ARG 4 1HH1 ARG 4 -11.146 2.513 13.809 39 1HH2 ARG 4 1HH2 ARG 4 -14.171 1.599 15.287 40 2HH2 ARG 4 2HH2 ARG 4 -13.136 2.925 14.874 41 H CYS 5 H CYS 5 -6.625 -1.995 13.795 42 HA CYS 5 HA CYS 5 -6.240 0.775 14.797 43 1HB CYS 5 2HB CYS 5 -5.507 -1.387 15.965 44 2HB CYS 5 1HB CYS 5 -4.247 -1.465 14.779 45 H CYS 6 H CYS 6 -4.822 -1.452 12.475 46 HA CYS 6 HA CYS 6 -2.777 0.195 11.444 47 1HB CYS 6 2HB CYS 6 -4.450 -1.798 9.902 48 2HB CYS 6 1HB CYS 6 -2.847 -1.247 9.476 49 H LEU 7 H LEU 7 -6.198 0.351 10.738 50 HA LEU 7 HA LEU 7 -5.859 2.092 8.406 51 1HB LEU 7 2HB LEU 7 -8.347 2.209 8.463 52 2HB LEU 7 1HB LEU 7 -7.763 0.568 8.523 53 HG LEU 7 HG LEU 7 -8.045 0.765 11.118 54 1HD1 LEU 7 1HD1 LEU 7 -8.441 3.212 11.248 55 2HD1 LEU 7 2HD1 LEU 7 -9.818 2.324 11.850 56 3HD1 LEU 7 3HD1 LEU 7 -9.868 3.039 10.249 57 1HD2 LEU 7 1HD2 LEU 7 -10.481 0.733 9.290 58 2HD2 LEU 7 2HD2 LEU 7 -10.441 0.116 10.934 59 3HD2 LEU 7 3HD2 LEU 7 -9.479 -0.655 9.684 60 H ILE 8 H ILE 8 -5.469 2.542 11.584 61 HA ILE 8 HA ILE 8 -6.497 5.302 11.821 62 HB ILE 8 HB ILE 8 -4.837 3.722 13.845 63 1HG1 ILE 8 2HG1 ILE 8 -6.980 2.496 13.269 64 2HG1 ILE 8 1HG1 ILE 8 -6.824 2.944 14.951 65 1HG2 ILE 8 1HG2 ILE 8 -4.870 6.105 14.282 66 2HG2 ILE 8 2HG2 ILE 8 -5.782 5.270 15.516 67 3HG2 ILE 8 3HG2 ILE 8 -6.620 6.140 14.243 68 1HD1 ILE 8 1HD1 ILE 8 -8.450 4.477 12.892 69 2HD1 ILE 8 2HD1 ILE 8 -8.330 4.859 14.603 70 3HD1 ILE 8 3HD1 ILE 8 -9.091 3.363 14.093 71 HA PRO 9 HA PRO 9 -2.364 6.720 10.711 72 1HB PRO 9 2HB PRO 9 -2.567 9.356 11.531 73 2HB PRO 9 1HB PRO 9 -3.362 8.764 10.072 74 1HG PRO 9 2HG PRO 9 -4.548 9.264 12.784 75 2HG PRO 9 1HG PRO 9 -5.274 9.536 11.210 76 1HD PRO 9 2HD PRO 9 -5.837 7.368 12.784 77 2HD PRO 9 1HD PRO 9 -6.025 7.367 11.029 78 H ALA 10 H ALA 10 -3.741 7.487 13.779 79 HA ALA 10 HA ALA 10 -1.287 7.885 15.233 80 1HB ALA 10 1HB ALA 10 -2.760 7.744 17.241 81 2HB ALA 10 2HB ALA 10 -4.070 7.158 16.229 82 3HB ALA 10 3HB ALA 10 -3.446 8.784 16.007 83 H CYS 11 H CYS 11 -2.184 5.131 13.793 84 HA CYS 11 HA CYS 11 -1.007 3.384 15.920 85 1HB CYS 11 2HB CYS 11 -3.441 2.911 15.343 86 2HB CYS 11 1HB CYS 11 -2.863 2.572 13.740 87 H ARG 12 H ARG 12 -1.521 3.658 12.424 88 HA ARG 12 HA ARG 12 0.399 1.709 11.660 89 1HB ARG 12 2HB ARG 12 0.274 2.632 9.430 90 2HB ARG 12 1HB ARG 12 -1.327 2.706 10.138 91 1HG ARG 12 2HG ARG 12 -1.004 5.118 10.675 92 2HG ARG 12 1HG ARG 12 0.620 5.065 10.012 93 1HD ARG 12 2HD ARG 12 -0.680 5.991 8.388 94 2HD ARG 12 1HD ARG 12 -0.171 4.398 7.864 95 HE ARG 12 HE ARG 12 -2.413 3.524 8.338 96 1HH1 ARG 12 2HH1 ARG 12 -2.139 6.994 8.493 97 2HH1 ARG 12 1HH1 ARG 12 -3.845 7.224 8.339 98 1HH2 ARG 12 1HH2 ARG 12 -4.548 3.820 8.149 99 2HH2 ARG 12 2HH2 ARG 12 -5.226 5.413 8.141 100 H ARG 13 H ARG 13 0.729 5.178 12.040 101 HA ARG 13 HA ARG 13 3.510 5.152 11.288 102 1HB ARG 13 2HB ARG 13 1.547 7.239 12.125 103 2HB ARG 13 1HB ARG 13 3.237 7.624 12.402 104 1HG ARG 13 2HG ARG 13 3.774 7.086 10.041 105 2HG ARG 13 1HG ARG 13 2.107 6.652 9.736 106 1HD ARG 13 2HD ARG 13 2.899 9.416 10.732 107 2HD ARG 13 1HD ARG 13 2.821 9.032 9.020 108 HE ARG 13 HE ARG 13 0.554 9.402 10.815 109 1HH1 ARG 13 2HH1 ARG 13 1.695 7.876 7.911 110 2HH1 ARG 13 1HH1 ARG 13 0.114 7.769 7.216 111 1HH2 ARG 13 1HH2 ARG 13 -1.444 9.276 9.940 112 2HH2 ARG 13 2HH2 ARG 13 -1.691 8.562 8.380 113 H ASN 14 H ASN 14 1.723 4.664 14.118 114 HA ASN 14 HA ASN 14 3.922 5.222 16.015 115 1HB ASN 14 2HB ASN 14 1.056 4.294 16.461 116 2HB ASN 14 1HB ASN 14 2.186 4.724 17.737 117 1HD2 ASN 14 1HD2 ASN 14 1.862 6.807 18.463 118 2HD2 ASN 14 2HD2 ASN 14 1.326 8.110 17.516 119 H HIS 15 H HIS 15 2.951 2.684 14.113 120 HA HIS 15 HA HIS 15 4.409 0.715 15.814 121 1HB HIS 15 2HB HIS 15 1.751 0.185 14.382 122 2HB HIS 15 1HB HIS 15 2.716 -1.011 15.230 123 HD1 HIS 15 HD1 HIS 15 0.045 1.243 15.862 124 HD2 HIS 15 HD2 HIS 15 3.126 -0.196 18.118 125 HE1 HIS 15 HE1 HIS 15 -0.577 1.637 18.213 126 H LYS 16 H LYS 16 2.708 0.616 12.758 127 HA LYS 16 HA LYS 16 3.324 0.334 10.560 128 1HB LYS 16 2HB LYS 16 5.249 1.906 11.083 129 2HB LYS 16 1HB LYS 16 6.238 0.520 11.497 130 1HG LYS 16 2HG LYS 16 5.953 -0.406 9.215 131 2HG LYS 16 1HG LYS 16 4.980 0.989 8.776 132 1HD LYS 16 2HD LYS 16 6.908 2.489 9.287 133 2HD LYS 16 1HD LYS 16 7.876 1.094 9.735 134 1HE LYS 16 2HE LYS 16 7.644 0.188 7.426 135 2HE LYS 16 1HE LYS 16 6.675 1.587 6.976 136 1HZ LYS 16 1HZ LYS 16 8.543 3.008 7.509 137 2HZ LYS 16 2HZ LYS 16 8.959 1.864 6.325 138 3HZ LYS 16 3HZ LYS 16 9.478 1.654 7.929 139 H LYS 17 H LYS 17 5.695 -1.345 12.554 140 HA LYS 17 HA LYS 17 5.676 -3.692 10.841 141 1HB LYS 17 2HB LYS 17 7.149 -4.644 12.804 142 2HB LYS 17 1HB LYS 17 7.772 -3.332 11.848 143 1HG LYS 17 2HG LYS 17 8.224 -2.971 14.237 144 2HG LYS 17 1HG LYS 17 7.243 -1.694 13.582 145 1HD LYS 17 2HD LYS 17 6.487 -2.359 15.825 146 2HD LYS 17 1HD LYS 17 5.225 -2.647 14.666 147 1HE LYS 17 2HE LYS 17 5.453 -4.563 16.235 148 2HE LYS 17 1HE LYS 17 5.914 -5.106 14.633 149 1HZ LYS 17 1HZ LYS 17 7.863 -4.111 16.618 150 2HZ LYS 17 2HZ LYS 17 8.180 -4.942 15.171 151 3HZ LYS 17 3HZ LYS 17 7.436 -5.748 16.467 152 H PHE 18 H PHE 18 3.747 -2.741 13.413 153 HA PHE 18 HA PHE 18 3.039 -5.374 14.421 154 1HB PHE 18 2HB PHE 18 2.794 -3.044 15.496 155 2HB PHE 18 1HB PHE 18 1.370 -2.832 14.516 156 HD1 PHE 18 HD1 PHE 18 0.763 -2.441 17.117 157 HD2 PHE 18 HD2 PHE 18 1.276 -6.277 15.312 158 HE1 PHE 18 HE1 PHE 18 -0.627 -3.458 18.856 159 HE2 PHE 18 HE2 PHE 18 -0.112 -7.272 17.048 160 HZ PHE 18 HZ PHE 18 -1.071 -5.876 18.828 161 H CYS 19 H CYS 19 2.273 -3.304 11.897 162 HA CYS 19 HA CYS 19 -0.016 -4.947 10.873 163 1HB CYS 19 2HB CYS 19 0.891 -2.155 10.118 164 2HB CYS 19 1HB CYS 19 -0.508 -2.969 9.465 165 1HN NH2 20 1HT CYS 19 3.322 -4.400 10.366 166 2HN NH2 20 2HT CYS 19 3.425 -5.025 8.791 Start of MODEL 16 1 1H PHE 1 1H PHE 1 -8.645 -4.847 18.509 2 2H PHE 1 2H PHE 1 -9.291 -3.331 18.100 3 3H PHE 1 3H PHE 1 -8.540 -3.556 19.607 4 HA PHE 1 HA PHE 1 -7.238 -2.366 17.792 5 1HB PHE 1 2HB PHE 1 -6.132 -3.124 19.868 6 2HB PHE 1 1HB PHE 1 -6.194 -4.799 19.359 7 HD1 PHE 1 HD1 PHE 1 -4.215 -5.703 18.522 8 HD2 PHE 1 HD2 PHE 1 -4.846 -1.512 18.064 9 HE1 PHE 1 HE1 PHE 1 -2.007 -5.484 17.493 10 HE2 PHE 1 HE2 PHE 1 -2.626 -1.302 17.030 11 HZ PHE 1 HZ PHE 1 -1.207 -3.290 16.739 12 H ASN 2 H ASN 2 -6.127 -5.703 17.527 13 HA ASN 2 HA ASN 2 -5.627 -6.945 15.521 14 1HB ASN 2 2HB ASN 2 -8.192 -5.594 14.527 15 2HB ASN 2 1HB ASN 2 -7.484 -7.096 13.960 16 1HD2 ASN 2 1HD2 ASN 2 -8.957 -5.624 16.868 17 2HD2 ASN 2 2HD2 ASN 2 -9.510 -7.094 17.511 18 H TRP 3 H TRP 3 -6.439 -5.935 12.994 19 HA TRP 3 HA TRP 3 -4.171 -4.116 12.409 20 1HB TRP 3 2HB TRP 3 -5.733 -4.841 10.006 21 2HB TRP 3 1HB TRP 3 -4.089 -5.308 10.401 22 HD1 TRP 3 HD1 TRP 3 -3.726 -7.899 10.944 23 HE1 TRP 3 HE1 TRP 3 -5.341 -9.732 11.438 24 HE3 TRP 3 HE3 TRP 3 -8.026 -5.267 11.166 25 HZ2 TRP 3 HZ2 TRP 3 -8.135 -10.160 11.913 26 HZ3 TRP 3 HZ3 TRP 3 -10.167 -6.397 11.661 27 HH2 TRP 3 HH2 TRP 3 -10.215 -8.839 12.042 28 H ARG 4 H ARG 4 -7.021 -3.573 13.566 29 HA ARG 4 HA ARG 4 -8.347 -1.800 11.804 30 1HB ARG 4 2HB ARG 4 -9.240 -2.692 14.031 31 2HB ARG 4 1HB ARG 4 -8.204 -1.537 14.831 32 1HG ARG 4 2HG ARG 4 -10.421 -0.573 14.704 33 2HG ARG 4 1HG ARG 4 -9.333 0.356 13.697 34 1HD ARG 4 2HD ARG 4 -10.187 -0.802 11.667 35 2HD ARG 4 1HD ARG 4 -11.248 -1.795 12.656 36 HE ARG 4 HE ARG 4 -11.637 1.007 11.927 37 1HH1 ARG 4 2HH1 ARG 4 -12.400 -1.496 14.204 38 2HH1 ARG 4 1HH1 ARG 4 -13.874 -0.740 14.706 39 1HH2 ARG 4 1HH2 ARG 4 -13.495 1.977 12.554 40 2HH2 ARG 4 2HH2 ARG 4 -14.502 1.253 13.762 41 H CYS 5 H CYS 5 -5.877 -1.475 14.148 42 HA CYS 5 HA CYS 5 -5.464 1.354 14.087 43 1HB CYS 5 2HB CYS 5 -4.131 -1.018 15.202 44 2HB CYS 5 1HB CYS 5 -3.038 0.301 14.865 45 H CYS 6 H CYS 6 -4.403 -1.155 11.982 46 HA CYS 6 HA CYS 6 -2.156 0.201 10.790 47 1HB CYS 6 2HB CYS 6 -2.839 -2.260 10.578 48 2HB CYS 6 1HB CYS 6 -4.008 -1.777 9.394 49 H LEU 7 H LEU 7 -5.568 0.360 10.516 50 HA LEU 7 HA LEU 7 -5.632 1.993 8.070 51 1HB LEU 7 2HB LEU 7 -7.918 1.353 9.989 52 2HB LEU 7 1HB LEU 7 -8.056 1.911 8.339 53 HG LEU 7 HG LEU 7 -6.853 -0.782 9.151 54 1HD1 LEU 7 1HD1 LEU 7 -9.550 -0.118 7.898 55 2HD1 LEU 7 2HD1 LEU 7 -9.295 -0.679 9.543 56 3HD1 LEU 7 3HD1 LEU 7 -8.930 -1.735 8.192 57 1HD2 LEU 7 1HD2 LEU 7 -7.539 0.337 6.391 58 2HD2 LEU 7 2HD2 LEU 7 -6.946 -1.283 6.718 59 3HD2 LEU 7 3HD2 LEU 7 -5.911 0.099 7.006 60 H ILE 8 H ILE 8 -5.665 2.401 11.524 61 HA ILE 8 HA ILE 8 -6.597 5.175 11.457 62 HB ILE 8 HB ILE 8 -5.087 3.740 13.682 63 1HG1 ILE 8 2HG1 ILE 8 -7.134 2.476 13.203 64 2HG1 ILE 8 1HG1 ILE 8 -7.237 3.257 14.761 65 1HG2 ILE 8 1HG2 ILE 8 -6.102 5.501 15.156 66 2HG2 ILE 8 2HG2 ILE 8 -6.825 6.245 13.743 67 3HG2 ILE 8 3HG2 ILE 8 -5.083 6.197 13.915 68 1HD1 ILE 8 1HD1 ILE 8 -8.517 4.260 12.193 69 2HD1 ILE 8 2HD1 ILE 8 -8.633 5.051 13.762 70 3HD1 ILE 8 3HD1 ILE 8 -9.343 3.464 13.524 71 HA PRO 9 HA PRO 9 -2.501 6.572 10.394 72 1HB PRO 9 2HB PRO 9 -2.829 9.286 10.659 73 2HB PRO 9 1HB PRO 9 -3.567 8.373 9.344 74 1HG PRO 9 2HG PRO 9 -4.834 9.386 11.881 75 2HG PRO 9 1HG PRO 9 -5.568 9.236 10.298 76 1HD PRO 9 2HD PRO 9 -5.961 7.463 12.351 77 2HD PRO 9 1HD PRO 9 -6.253 7.107 10.642 78 H ALA 10 H ALA 10 -3.986 7.880 13.248 79 HA ALA 10 HA ALA 10 -1.539 8.643 14.583 80 1HB ALA 10 1HB ALA 10 -3.704 9.700 15.107 81 2HB ALA 10 2HB ALA 10 -3.030 8.967 16.553 82 3HB ALA 10 3HB ALA 10 -4.333 8.167 15.687 83 H CYS 11 H CYS 11 -2.874 5.613 14.013 84 HA CYS 11 HA CYS 11 -1.475 4.445 16.396 85 1HB CYS 11 2HB CYS 11 -4.054 4.123 16.001 86 2HB CYS 11 1HB CYS 11 -3.530 3.003 14.795 87 H ARG 12 H ARG 12 -2.059 4.089 12.958 88 HA ARG 12 HA ARG 12 -0.525 1.711 12.532 89 1HB ARG 12 2HB ARG 12 -0.356 2.408 10.155 90 2HB ARG 12 1HB ARG 12 -1.971 2.659 10.755 91 1HG ARG 12 2HG ARG 12 -1.646 4.673 9.667 92 2HG ARG 12 1HG ARG 12 -1.096 5.106 11.272 93 1HD ARG 12 2HD ARG 12 1.300 4.600 10.469 94 2HD ARG 12 1HD ARG 12 0.616 4.461 8.858 95 HE ARG 12 HE ARG 12 -0.388 6.836 9.514 96 1HH1 ARG 12 2HH1 ARG 12 2.793 5.576 10.147 97 2HH1 ARG 12 1HH1 ARG 12 3.522 7.144 10.130 98 1HH2 ARG 12 1HH2 ARG 12 0.529 8.807 9.490 99 2HH2 ARG 12 2HH2 ARG 12 2.231 8.994 9.752 100 H ARG 13 H ARG 13 0.447 4.951 13.107 101 HA ARG 13 HA ARG 13 3.124 4.855 12.096 102 1HB ARG 13 2HB ARG 13 3.468 6.833 13.600 103 2HB ARG 13 1HB ARG 13 2.012 6.974 12.637 104 1HG ARG 13 2HG ARG 13 0.671 6.111 14.620 105 2HG ARG 13 1HG ARG 13 2.143 6.143 15.573 106 1HD ARG 13 2HD ARG 13 0.925 8.568 14.194 107 2HD ARG 13 1HD ARG 13 0.812 8.208 15.915 108 HE ARG 13 HE ARG 13 3.555 8.177 15.245 109 1HH1 ARG 13 2HH1 ARG 13 0.885 10.382 15.340 110 2HH1 ARG 13 1HH1 ARG 13 1.885 11.760 15.656 111 1HH2 ARG 13 1HH2 ARG 13 4.844 9.910 15.643 112 2HH2 ARG 13 2HH2 ARG 13 4.159 11.489 15.829 113 H ASN 14 H ASN 14 1.675 3.948 15.121 114 HA ASN 14 HA ASN 14 4.229 3.209 16.389 115 1HB ASN 14 2HB ASN 14 2.444 4.257 17.750 116 2HB ASN 14 1HB ASN 14 1.334 2.961 17.331 117 1HD2 ASN 14 1HD2 ASN 14 4.287 3.713 19.163 118 2HD2 ASN 14 2HD2 ASN 14 4.236 2.327 20.141 119 H HIS 15 H HIS 15 1.585 1.760 14.725 120 HA HIS 15 HA HIS 15 2.644 -0.997 15.195 121 1HB HIS 15 2HB HIS 15 -0.137 0.012 14.447 122 2HB HIS 15 1HB HIS 15 0.278 -1.692 14.546 123 HD1 HIS 15 HD1 HIS 15 1.001 -2.494 16.966 124 HD2 HIS 15 HD2 HIS 15 -0.566 1.272 16.912 125 HE1 HIS 15 HE1 HIS 15 0.463 -1.931 19.307 126 H LYS 16 H LYS 16 3.748 0.897 13.339 127 HA LYS 16 HA LYS 16 2.906 0.395 10.689 128 1HB LYS 16 2HB LYS 16 5.074 1.405 10.050 129 2HB LYS 16 1HB LYS 16 4.289 2.346 11.303 130 1HG LYS 16 2HG LYS 16 5.740 1.137 13.017 131 2HG LYS 16 1HG LYS 16 6.590 0.398 11.676 132 1HD LYS 16 2HD LYS 16 6.389 3.395 12.176 133 2HD LYS 16 1HD LYS 16 7.788 2.405 12.524 134 1HE LYS 16 2HE LYS 16 7.945 1.836 10.056 135 2HE LYS 16 1HE LYS 16 6.613 2.944 9.760 136 1HZ LYS 16 1HZ LYS 16 7.945 4.699 10.807 137 2HZ LYS 16 2HZ LYS 16 8.631 4.076 9.383 138 3HZ LYS 16 3HZ LYS 16 9.252 3.619 10.897 139 H LYS 17 H LYS 17 5.223 -1.173 12.777 140 HA LYS 17 HA LYS 17 6.139 -3.013 10.692 141 1HB LYS 17 2HB LYS 17 6.503 -3.162 13.745 142 2HB LYS 17 1HB LYS 17 7.393 -4.132 12.593 143 1HG LYS 17 2HG LYS 17 7.565 -1.105 12.874 144 2HG LYS 17 1HG LYS 17 8.759 -2.255 13.430 145 1HD LYS 17 2HD LYS 17 9.066 -3.043 11.046 146 2HD LYS 17 1HD LYS 17 7.979 -1.768 10.521 147 1HE LYS 17 2HE LYS 17 10.604 -1.335 12.008 148 2HE LYS 17 1HE LYS 17 10.324 -1.031 10.300 149 1HZ LYS 17 1HZ LYS 17 9.386 0.459 12.626 150 2HZ LYS 17 2HZ LYS 17 8.399 0.425 11.246 151 3HZ LYS 17 3HZ LYS 17 9.984 1.024 11.139 152 H PHE 18 H PHE 18 3.929 -2.973 13.310 153 HA PHE 18 HA PHE 18 3.169 -5.722 13.377 154 1HB PHE 18 2HB PHE 18 2.555 -3.896 15.019 155 2HB PHE 18 1HB PHE 18 1.431 -3.281 13.846 156 HD1 PHE 18 HD1 PHE 18 -0.712 -4.250 13.486 157 HD2 PHE 18 HD2 PHE 18 2.124 -6.293 15.929 158 HE1 PHE 18 HE1 PHE 18 -2.453 -5.825 14.190 159 HE2 PHE 18 HE2 PHE 18 0.378 -7.867 16.631 160 HZ PHE 18 HZ PHE 18 -1.912 -7.638 15.764 161 H CYS 19 H CYS 19 2.521 -3.091 11.405 162 HA CYS 19 HA CYS 19 1.397 -4.609 9.187 163 1HB CYS 19 2HB CYS 19 -0.548 -4.542 10.707 164 2HB CYS 19 1HB CYS 19 -0.482 -2.809 10.696 165 1HN NH2 20 1HT CYS 19 0.932 -1.242 10.407 166 2HN NH2 20 2HT CYS 19 1.638 -0.498 9.056 Start of MODEL 17 1 1H PHE 1 1H PHE 1 -9.689 -4.761 18.601 2 2H PHE 1 2H PHE 1 -8.887 -6.181 18.125 3 3H PHE 1 3H PHE 1 -9.719 -5.250 16.973 4 HA PHE 1 HA PHE 1 -8.179 -3.411 17.357 5 1HB PHE 1 2HB PHE 1 -7.401 -4.001 19.645 6 2HB PHE 1 1HB PHE 1 -6.815 -5.557 19.092 7 HD1 PHE 1 HD1 PHE 1 -6.346 -1.884 18.397 8 HD2 PHE 1 HD2 PHE 1 -4.544 -5.747 18.512 9 HE1 PHE 1 HE1 PHE 1 -4.161 -0.891 17.881 10 HE2 PHE 1 HE2 PHE 1 -2.369 -4.744 17.998 11 HZ PHE 1 HZ PHE 1 -2.172 -2.321 17.678 12 H ASN 2 H ASN 2 -6.410 -6.480 17.353 13 HA ASN 2 HA ASN 2 -5.086 -7.410 15.559 14 1HB ASN 2 2HB ASN 2 -7.488 -6.513 13.900 15 2HB ASN 2 1HB ASN 2 -6.382 -7.830 13.558 16 1HD2 ASN 2 1HD2 ASN 2 -6.842 -9.854 14.425 17 2HD2 ASN 2 2HD2 ASN 2 -8.112 -10.155 15.509 18 H TRP 3 H TRP 3 -5.348 -6.455 12.914 19 HA TRP 3 HA TRP 3 -3.427 -4.197 12.950 20 1HB TRP 3 2HB TRP 3 -4.033 -5.100 10.221 21 2HB TRP 3 1HB TRP 3 -2.539 -5.296 11.118 22 HD1 TRP 3 HD1 TRP 3 -1.885 -7.809 11.681 23 HE1 TRP 3 HE1 TRP 3 -3.221 -9.911 11.712 24 HE3 TRP 3 HE3 TRP 3 -6.483 -5.959 10.730 25 HZ2 TRP 3 HZ2 TRP 3 -5.920 -10.828 11.408 26 HZ3 TRP 3 HZ3 TRP 3 -8.443 -7.458 10.622 27 HH2 TRP 3 HH2 TRP 3 -8.159 -9.889 10.968 28 H ARG 4 H ARG 4 -6.447 -4.118 13.399 29 HA ARG 4 HA ARG 4 -7.712 -2.697 11.291 30 1HB ARG 4 2HB ARG 4 -8.186 -2.461 14.277 31 2HB ARG 4 1HB ARG 4 -9.260 -1.871 13.040 32 1HG ARG 4 2HG ARG 4 -9.668 -4.108 12.190 33 2HG ARG 4 1HG ARG 4 -8.400 -4.803 13.165 34 1HD ARG 4 2HD ARG 4 -9.857 -3.820 15.198 35 2HD ARG 4 1HD ARG 4 -11.149 -3.854 14.006 36 HE ARG 4 HE ARG 4 -9.947 -6.143 15.296 37 1HH1 ARG 4 2HH1 ARG 4 -11.416 -5.050 12.352 38 2HH1 ARG 4 1HH1 ARG 4 -11.945 -6.635 11.899 39 1HH2 ARG 4 1HH2 ARG 4 -10.604 -8.148 14.744 40 2HH2 ARG 4 2HH2 ARG 4 -11.481 -8.417 13.275 41 H CYS 5 H CYS 5 -5.796 -1.772 13.973 42 HA CYS 5 HA CYS 5 -5.970 1.063 13.878 43 1HB CYS 5 2HB CYS 5 -4.533 -0.938 15.325 44 2HB CYS 5 1HB CYS 5 -3.384 0.260 14.807 45 H CYS 6 H CYS 6 -4.360 -1.109 11.823 46 HA CYS 6 HA CYS 6 -2.135 0.355 10.822 47 1HB CYS 6 2HB CYS 6 -2.622 -1.967 10.235 48 2HB CYS 6 1HB CYS 6 -3.972 -1.433 9.257 49 H LEU 7 H LEU 7 -5.543 0.590 10.302 50 HA LEU 7 HA LEU 7 -5.472 2.357 7.988 51 1HB LEU 7 2HB LEU 7 -7.783 1.674 9.853 52 2HB LEU 7 1HB LEU 7 -7.927 2.391 8.262 53 HG LEU 7 HG LEU 7 -6.775 -0.394 8.819 54 1HD1 LEU 7 1HD1 LEU 7 -9.478 0.434 7.679 55 2HD1 LEU 7 2HD1 LEU 7 -9.209 -0.271 9.265 56 3HD1 LEU 7 3HD1 LEU 7 -8.891 -1.216 7.821 57 1HD2 LEU 7 1HD2 LEU 7 -6.925 -0.683 6.354 58 2HD2 LEU 7 2HD2 LEU 7 -5.853 0.647 6.736 59 3HD2 LEU 7 3HD2 LEU 7 -7.486 0.971 6.178 60 H ILE 8 H ILE 8 -5.831 2.739 11.461 61 HA ILE 8 HA ILE 8 -6.502 5.580 11.255 62 HB ILE 8 HB ILE 8 -5.634 3.901 13.678 63 1HG1 ILE 8 2HG1 ILE 8 -8.015 4.207 14.417 64 2HG1 ILE 8 1HG1 ILE 8 -8.374 5.040 12.923 65 1HG2 ILE 8 1HG2 ILE 8 -6.718 6.753 13.571 66 2HG2 ILE 8 2HG2 ILE 8 -5.051 6.346 13.938 67 3HG2 ILE 8 3HG2 ILE 8 -6.333 5.881 15.036 68 1HD1 ILE 8 1HD1 ILE 8 -9.152 2.705 12.882 69 2HD1 ILE 8 2HD1 ILE 8 -7.515 2.134 13.129 70 3HD1 ILE 8 3HD1 ILE 8 -7.951 2.963 11.642 71 HA PRO 9 HA PRO 9 -2.336 6.512 10.394 72 1HB PRO 9 2HB PRO 9 -2.364 9.256 10.538 73 2HB PRO 9 1HB PRO 9 -3.207 8.364 9.272 74 1HG PRO 9 2HG PRO 9 -4.333 9.651 11.744 75 2HG PRO 9 1HG PRO 9 -5.107 9.454 10.182 76 1HD PRO 9 2HD PRO 9 -5.608 7.883 12.372 77 2HD PRO 9 1HD PRO 9 -6.011 7.470 10.697 78 H ALA 10 H ALA 10 -3.590 8.188 13.183 79 HA ALA 10 HA ALA 10 -1.071 8.751 14.439 80 1HB ALA 10 1HB ALA 10 -3.846 8.466 15.660 81 2HB ALA 10 2HB ALA 10 -3.153 9.949 15.019 82 3HB ALA 10 3HB ALA 10 -2.465 9.209 16.455 83 H CYS 11 H CYS 11 -3.026 5.914 14.285 84 HA CYS 11 HA CYS 11 -1.684 4.633 16.585 85 1HB CYS 11 2HB CYS 11 -4.169 4.312 15.919 86 2HB CYS 11 1HB CYS 11 -3.561 3.302 14.650 87 H ARG 12 H ARG 12 -1.977 4.157 13.090 88 HA ARG 12 HA ARG 12 -0.176 1.921 12.967 89 1HB ARG 12 2HB ARG 12 -0.173 2.255 10.552 90 2HB ARG 12 1HB ARG 12 -1.782 2.534 11.159 91 1HG ARG 12 2HG ARG 12 -1.545 4.305 9.655 92 2HG ARG 12 1HG ARG 12 -1.170 5.030 11.202 93 1HD ARG 12 2HD ARG 12 0.395 5.704 9.352 94 2HD ARG 12 1HD ARG 12 1.229 5.029 10.725 95 HE ARG 12 HE ARG 12 0.503 3.365 8.336 96 1HH1 ARG 12 2HH1 ARG 12 2.886 4.504 10.617 97 2HH1 ARG 12 1HH1 ARG 12 4.106 3.453 9.999 98 1HH2 ARG 12 1HH2 ARG 12 2.048 2.051 7.570 99 2HH2 ARG 12 2HH2 ARG 12 3.635 2.051 8.262 100 H ARG 13 H ARG 13 0.317 5.256 13.395 101 HA ARG 13 HA ARG 13 2.953 5.527 12.316 102 1HB ARG 13 2HB ARG 13 1.463 7.462 13.049 103 2HB ARG 13 1HB ARG 13 1.684 6.969 14.712 104 1HG ARG 13 2HG ARG 13 3.270 8.679 14.505 105 2HG ARG 13 1HG ARG 13 4.263 7.273 14.206 106 1HD ARG 13 2HD ARG 13 3.018 9.040 12.066 107 2HD ARG 13 1HD ARG 13 4.717 9.049 12.523 108 HE ARG 13 HE ARG 13 4.554 6.506 11.823 109 1HH1 ARG 13 2HH1 ARG 13 2.995 9.218 10.286 110 2HH1 ARG 13 1HH1 ARG 13 2.971 8.445 8.740 111 1HH2 ARG 13 1HH2 ARG 13 4.521 5.548 9.873 112 2HH2 ARG 13 2HH2 ARG 13 3.848 6.353 8.497 113 H ASN 14 H ASN 14 1.641 4.604 15.392 114 HA ASN 14 HA ASN 14 4.175 4.143 16.731 115 1HB ASN 14 2HB ASN 14 1.391 3.155 17.494 116 2HB ASN 14 1HB ASN 14 2.781 3.274 18.560 117 1HD2 ASN 14 1HD2 ASN 14 3.813 5.737 18.238 118 2HD2 ASN 14 2HD2 ASN 14 2.652 6.951 18.480 119 H HIS 15 H HIS 15 1.999 2.239 14.796 120 HA HIS 15 HA HIS 15 3.309 -0.306 15.543 121 1HB HIS 15 2HB HIS 15 1.049 0.296 13.576 122 2HB HIS 15 1HB HIS 15 1.613 -1.307 14.006 123 HD1 HIS 15 HD1 HIS 15 1.715 -1.227 16.959 124 HD2 HIS 15 HD2 HIS 15 -1.250 0.734 14.957 125 HE1 HIS 15 HE1 HIS 15 -0.129 -0.928 18.571 126 H LYS 16 H LYS 16 2.362 0.907 12.414 127 HA LYS 16 HA LYS 16 3.403 1.101 10.366 128 1HB LYS 16 2HB LYS 16 4.960 2.487 11.790 129 2HB LYS 16 1HB LYS 16 5.997 1.095 11.979 130 1HG LYS 16 2HG LYS 16 6.477 0.961 9.612 131 2HG LYS 16 1HG LYS 16 5.329 2.226 9.239 132 1HD LYS 16 2HD LYS 16 7.715 2.691 11.077 133 2HD LYS 16 1HD LYS 16 7.852 2.838 9.341 134 1HE LYS 16 2HE LYS 16 7.460 5.057 10.276 135 2HE LYS 16 1HE LYS 16 6.040 4.580 9.367 136 1HZ LYS 16 1HZ LYS 16 5.844 5.600 11.729 137 2HZ LYS 16 2HZ LYS 16 6.129 4.005 12.238 138 3HZ LYS 16 3HZ LYS 16 4.799 4.357 11.242 139 H LYS 17 H LYS 17 3.854 -1.549 12.326 140 HA LYS 17 HA LYS 17 4.630 -3.222 10.013 141 1HB LYS 17 2HB LYS 17 6.262 -4.478 11.395 142 2HB LYS 17 1HB LYS 17 6.721 -2.787 11.340 143 1HG LYS 17 2HG LYS 17 5.541 -2.453 13.572 144 2HG LYS 17 1HG LYS 17 5.260 -4.178 13.637 145 1HD LYS 17 2HD LYS 17 8.009 -2.875 13.479 146 2HD LYS 17 1HD LYS 17 7.270 -3.480 14.945 147 1HE LYS 17 2HE LYS 17 7.200 -5.780 13.956 148 2HE LYS 17 1HE LYS 17 7.994 -5.170 12.509 149 1HZ LYS 17 1HZ LYS 17 9.110 -5.042 15.243 150 2HZ LYS 17 2HZ LYS 17 9.873 -4.516 13.820 151 3HZ LYS 17 3HZ LYS 17 9.546 -6.167 14.048 152 H PHE 18 H PHE 18 2.841 -2.794 12.884 153 HA PHE 18 HA PHE 18 2.099 -5.516 13.401 154 1HB PHE 18 2HB PHE 18 1.679 -3.354 14.796 155 2HB PHE 18 1HB PHE 18 0.273 -3.118 13.789 156 HD1 PHE 18 HD1 PHE 18 -1.493 -5.008 13.674 157 HD2 PHE 18 HD2 PHE 18 1.610 -4.948 16.597 158 HE1 PHE 18 HE1 PHE 18 -2.731 -6.631 15.031 159 HE2 PHE 18 HE2 PHE 18 0.361 -6.566 17.949 160 HZ PHE 18 HZ PHE 18 -1.813 -7.411 17.170 161 H CYS 19 H CYS 19 1.239 -3.122 11.193 162 HA CYS 19 HA CYS 19 -1.234 -3.707 10.116 163 1HB CYS 19 2HB CYS 19 1.339 -2.893 8.823 164 2HB CYS 19 1HB CYS 19 -0.077 -3.095 7.831 165 1HN NH2 20 1HT CYS 19 -2.179 -5.415 9.007 166 2HN NH2 20 2HT CYS 19 -1.340 -6.747 8.375 Start of MODEL 18 1 1H PHE 1 1H PHE 1 -9.683 -5.341 17.303 2 2H PHE 1 2H PHE 1 -9.214 -5.236 18.932 3 3H PHE 1 3H PHE 1 -8.631 -6.501 17.961 4 HA PHE 1 HA PHE 1 -8.045 -3.630 17.504 5 1HB PHE 1 2HB PHE 1 -6.955 -4.604 19.605 6 2HB PHE 1 1HB PHE 1 -6.266 -5.886 18.630 7 HD1 PHE 1 HD1 PHE 1 -4.305 -5.470 17.253 8 HD2 PHE 1 HD2 PHE 1 -6.251 -2.224 19.214 9 HE1 PHE 1 HE1 PHE 1 -2.418 -3.996 16.703 10 HE2 PHE 1 HE2 PHE 1 -4.361 -0.765 18.663 11 HZ PHE 1 HZ PHE 1 -2.442 -1.647 17.407 12 H ASN 2 H ASN 2 -6.435 -6.739 16.871 13 HA ASN 2 HA ASN 2 -5.521 -7.518 14.793 14 1HB ASN 2 2HB ASN 2 -8.320 -6.863 14.472 15 2HB ASN 2 1HB ASN 2 -7.519 -6.403 12.993 16 1HD2 ASN 2 1HD2 ASN 2 -5.439 -8.506 13.105 17 2HD2 ASN 2 2HD2 ASN 2 -6.237 -9.979 12.833 18 H TRP 3 H TRP 3 -5.750 -6.318 12.332 19 HA TRP 3 HA TRP 3 -3.633 -4.282 12.493 20 1HB TRP 3 2HB TRP 3 -4.610 -4.616 9.738 21 2HB TRP 3 1HB TRP 3 -3.087 -5.162 10.411 22 HD1 TRP 3 HD1 TRP 3 -2.785 -7.805 10.529 23 HE1 TRP 3 HE1 TRP 3 -4.426 -9.674 10.375 24 HE3 TRP 3 HE3 TRP 3 -7.091 -5.194 10.359 25 HZ2 TRP 3 HZ2 TRP 3 -7.250 -10.132 10.230 26 HZ3 TRP 3 HZ3 TRP 3 -9.268 -6.357 10.244 27 HH2 TRP 3 HH2 TRP 3 -9.338 -8.826 10.195 28 H ARG 4 H ARG 4 -6.562 -3.846 13.306 29 HA ARG 4 HA ARG 4 -7.775 -1.974 11.575 30 1HB ARG 4 2HB ARG 4 -7.860 -2.155 14.594 31 2HB ARG 4 1HB ARG 4 -8.856 -1.065 13.678 32 1HG ARG 4 2HG ARG 4 -8.851 -4.108 13.309 33 2HG ARG 4 1HG ARG 4 -10.054 -3.228 14.226 34 1HD ARG 4 2HD ARG 4 -9.525 -3.023 11.214 35 2HD ARG 4 1HD ARG 4 -10.941 -3.702 11.987 36 HE ARG 4 HE ARG 4 -10.399 -0.872 11.573 37 1HH1 ARG 4 2HH1 ARG 4 -12.073 -3.203 13.520 38 2HH1 ARG 4 1HH1 ARG 4 -13.285 -2.076 14.023 39 1HH2 ARG 4 1HH2 ARG 4 -11.920 0.566 12.197 40 2HH2 ARG 4 2HH2 ARG 4 -13.199 0.092 13.264 41 H CYS 5 H CYS 5 -5.363 -1.628 14.038 42 HA CYS 5 HA CYS 5 -5.185 1.227 14.071 43 1HB CYS 5 2HB CYS 5 -3.647 -1.057 15.121 44 2HB CYS 5 1HB CYS 5 -2.661 0.344 14.784 45 H CYS 6 H CYS 6 -3.939 -1.130 11.887 46 HA CYS 6 HA CYS 6 -1.787 0.333 10.661 47 1HB CYS 6 2HB CYS 6 -2.287 -2.056 10.232 48 2HB CYS 6 1HB CYS 6 -3.675 -1.563 9.286 49 H LEU 7 H LEU 7 -5.234 0.273 10.373 50 HA LEU 7 HA LEU 7 -5.477 2.022 8.052 51 1HB LEU 7 2HB LEU 7 -7.662 1.256 10.036 52 2HB LEU 7 1HB LEU 7 -7.867 1.780 8.383 53 HG LEU 7 HG LEU 7 -6.506 -0.837 9.201 54 1HD1 LEU 7 1HD1 LEU 7 -8.939 -0.852 9.668 55 2HD1 LEU 7 2HD1 LEU 7 -8.559 -1.912 8.323 56 3HD1 LEU 7 3HD1 LEU 7 -9.272 -0.334 8.023 57 1HD2 LEU 7 1HD2 LEU 7 -5.675 0.061 7.020 58 2HD2 LEU 7 2HD2 LEU 7 -7.329 0.203 6.448 59 3HD2 LEU 7 3HD2 LEU 7 -6.642 -1.378 6.780 60 H ILE 8 H ILE 8 -5.536 2.352 11.537 61 HA ILE 8 HA ILE 8 -6.558 5.089 11.474 62 HB ILE 8 HB ILE 8 -5.135 3.635 13.774 63 1HG1 ILE 8 2HG1 ILE 8 -8.133 3.974 13.240 64 2HG1 ILE 8 1HG1 ILE 8 -7.261 2.490 12.935 65 1HG2 ILE 8 1HG2 ILE 8 -6.941 6.108 13.721 66 2HG2 ILE 8 2HG2 ILE 8 -5.201 6.145 13.950 67 3HG2 ILE 8 3HG2 ILE 8 -6.225 5.422 15.166 68 1HD1 ILE 8 1HD1 ILE 8 -8.390 2.375 15.115 69 2HD1 ILE 8 2HD1 ILE 8 -7.556 3.814 15.664 70 3HD1 ILE 8 3HD1 ILE 8 -6.652 2.342 15.349 71 HA PRO 9 HA PRO 9 -2.516 6.656 10.494 72 1HB PRO 9 2HB PRO 9 -2.971 9.354 10.772 73 2HB PRO 9 1HB PRO 9 -3.637 8.419 9.435 74 1HG PRO 9 2HG PRO 9 -5.003 9.349 11.951 75 2HG PRO 9 1HG PRO 9 -5.693 9.188 10.348 76 1HD PRO 9 2HD PRO 9 -6.073 7.374 12.360 77 2HD PRO 9 1HD PRO 9 -6.274 7.018 10.638 78 H ALA 10 H ALA 10 -4.117 7.919 13.305 79 HA ALA 10 HA ALA 10 -1.786 8.814 14.719 80 1HB ALA 10 1HB ALA 10 -4.044 9.648 15.221 81 2HB ALA 10 2HB ALA 10 -3.334 8.947 16.667 82 3HB ALA 10 3HB ALA 10 -4.540 8.050 15.755 83 H CYS 11 H CYS 11 -2.886 5.675 14.120 84 HA CYS 11 HA CYS 11 -1.373 4.601 16.475 85 1HB CYS 11 2HB CYS 11 -3.877 4.084 16.157 86 2HB CYS 11 1HB CYS 11 -3.365 3.078 14.852 87 H ARG 12 H ARG 12 -1.957 4.212 13.049 88 HA ARG 12 HA ARG 12 -0.219 1.969 12.632 89 1HB ARG 12 2HB ARG 12 -0.228 2.519 10.278 90 2HB ARG 12 1HB ARG 12 -1.815 2.850 10.893 91 1HG ARG 12 2HG ARG 12 -1.527 4.762 9.647 92 2HG ARG 12 1HG ARG 12 -0.887 5.324 11.173 93 1HD ARG 12 2HD ARG 12 0.611 5.933 9.260 94 2HD ARG 12 1HD ARG 12 1.451 4.894 10.386 95 HE ARG 12 HE ARG 12 1.526 3.220 8.759 96 1HH1 ARG 12 2HH1 ARG 12 -0.795 5.645 7.888 97 2HH1 ARG 12 1HH1 ARG 12 -1.053 4.986 6.308 98 1HH2 ARG 12 1HH2 ARG 12 1.215 2.373 6.772 99 2HH2 ARG 12 2HH2 ARG 12 0.102 3.106 5.665 100 H ARG 13 H ARG 13 0.372 5.373 12.867 101 HA ARG 13 HA ARG 13 3.092 5.445 12.010 102 1HB ARG 13 2HB ARG 13 3.150 7.638 13.152 103 2HB ARG 13 1HB ARG 13 1.670 7.458 12.231 104 1HG ARG 13 2HG ARG 13 0.477 6.751 14.351 105 2HG ARG 13 1HG ARG 13 1.952 7.035 15.247 106 1HD ARG 13 2HD ARG 13 0.452 9.156 13.654 107 2HD ARG 13 1HD ARG 13 0.449 9.006 15.405 108 HE ARG 13 HE ARG 13 2.569 10.142 13.780 109 1HH1 ARG 13 2HH1 ARG 13 1.857 8.474 16.739 110 2HH1 ARG 13 1HH1 ARG 13 3.266 9.077 17.543 111 1HH2 ARG 13 1HH2 ARG 13 4.350 10.911 14.781 112 2HH2 ARG 13 2HH2 ARG 13 4.699 10.477 16.421 113 H ASN 14 H ASN 14 1.616 4.542 14.994 114 HA ASN 14 HA ASN 14 3.968 4.704 16.652 115 1HB ASN 14 2HB ASN 14 1.638 4.759 17.563 116 2HB ASN 14 1HB ASN 14 1.417 3.087 17.074 117 1HD2 ASN 14 1HD2 ASN 14 2.813 1.439 18.129 118 2HD2 ASN 14 2HD2 ASN 14 3.440 1.747 19.677 119 H HIS 15 H HIS 15 2.270 1.926 15.239 120 HA HIS 15 HA HIS 15 4.602 0.211 15.871 121 1HB HIS 15 2HB HIS 15 3.154 -1.685 15.278 122 2HB HIS 15 1HB HIS 15 2.364 -0.635 16.431 123 HD1 HIS 15 HD1 HIS 15 2.221 -1.438 12.784 124 HD2 HIS 15 HD2 HIS 15 -0.081 0.404 15.606 125 HE1 HIS 15 HE1 HIS 15 0.036 -1.006 11.722 126 H LYS 16 H LYS 16 2.687 0.922 12.986 127 HA LYS 16 HA LYS 16 3.171 0.829 10.713 128 1HB LYS 16 2HB LYS 16 6.006 1.170 11.783 129 2HB LYS 16 1HB LYS 16 5.648 1.160 10.084 130 1HG LYS 16 2HG LYS 16 4.503 3.141 12.103 131 2HG LYS 16 1HG LYS 16 5.847 3.470 11.043 132 1HD LYS 16 2HD LYS 16 3.004 2.846 10.087 133 2HD LYS 16 1HD LYS 16 3.742 4.429 10.133 134 1HE LYS 16 2HE LYS 16 4.702 2.099 8.417 135 2HE LYS 16 1HE LYS 16 3.843 3.520 7.860 136 1HZ LYS 16 1HZ LYS 16 6.564 3.386 8.990 137 2HZ LYS 16 2HZ LYS 16 5.715 4.847 8.827 138 3HZ LYS 16 3HZ LYS 16 6.084 3.921 7.451 139 H LYS 17 H LYS 17 3.898 -1.581 12.701 140 HA LYS 17 HA LYS 17 4.724 -3.427 10.511 141 1HB LYS 17 2HB LYS 17 6.050 -4.695 12.193 142 2HB LYS 17 1HB LYS 17 6.596 -3.029 12.105 143 1HG LYS 17 2HG LYS 17 5.060 -2.508 14.085 144 2HG LYS 17 1HG LYS 17 4.740 -4.223 14.212 145 1HD LYS 17 2HD LYS 17 7.116 -4.695 14.606 146 2HD LYS 17 1HD LYS 17 7.517 -2.999 14.398 147 1HE LYS 17 2HE LYS 17 5.684 -4.121 16.566 148 2HE LYS 17 1HE LYS 17 7.331 -3.556 16.810 149 1HZ LYS 17 1HZ LYS 17 6.321 -1.425 15.658 150 2HZ LYS 17 2HZ LYS 17 6.229 -1.682 17.335 151 3HZ LYS 17 3HZ LYS 17 4.896 -2.036 16.345 152 H PHE 18 H PHE 18 2.579 -2.909 13.180 153 HA PHE 18 HA PHE 18 1.695 -5.590 13.558 154 1HB PHE 18 2HB PHE 18 1.184 -3.361 14.845 155 2HB PHE 18 1HB PHE 18 -0.136 -3.191 13.719 156 HD1 PHE 18 HD1 PHE 18 -1.852 -5.148 13.532 157 HD2 PHE 18 HD2 PHE 18 1.011 -4.894 16.683 158 HE1 PHE 18 HE1 PHE 18 -3.143 -6.767 14.848 159 HE2 PHE 18 HE2 PHE 18 -0.290 -6.507 17.991 160 HZ PHE 18 HZ PHE 18 -2.370 -7.446 17.076 161 H CYS 19 H CYS 19 1.218 -3.232 11.209 162 HA CYS 19 HA CYS 19 -1.145 -3.802 9.867 163 1HB CYS 19 2HB CYS 19 1.577 -3.077 8.818 164 2HB CYS 19 1HB CYS 19 0.226 -3.231 7.726 165 1HN NH2 20 1HT CYS 19 1.911 -5.632 9.468 166 2HN NH2 20 2HT CYS 19 1.202 -6.942 8.650 Start of MODEL 19 1 1H PHE 1 1H PHE 1 -8.173 -4.059 17.840 2 2H PHE 1 2H PHE 1 -7.000 -4.086 19.069 3 3H PHE 1 3H PHE 1 -7.249 -5.460 18.103 4 HA PHE 1 HA PHE 1 -6.270 -2.851 17.103 5 1HB PHE 1 2HB PHE 1 -4.595 -4.093 18.593 6 2HB PHE 1 1HB PHE 1 -4.805 -5.537 17.632 7 HD1 PHE 1 HD1 PHE 1 -3.273 -2.204 17.764 8 HD2 PHE 1 HD2 PHE 1 -3.810 -5.667 15.333 9 HE1 PHE 1 HE1 PHE 1 -1.477 -1.451 16.270 10 HE2 PHE 1 HE2 PHE 1 -2.029 -4.903 13.850 11 HZ PHE 1 HZ PHE 1 -0.853 -2.794 14.311 12 H ASN 2 H ASN 2 -5.647 -6.160 16.033 13 HA ASN 2 HA ASN 2 -5.990 -7.085 13.815 14 1HB ASN 2 2HB ASN 2 -8.460 -6.390 15.000 15 2HB ASN 2 1HB ASN 2 -8.551 -5.646 13.418 16 1HD2 ASN 2 1HD2 ASN 2 -10.129 -7.900 14.276 17 2HD2 ASN 2 2HD2 ASN 2 -9.718 -9.222 13.294 18 H TRP 3 H TRP 3 -7.355 -5.802 11.767 19 HA TRP 3 HA TRP 3 -5.234 -3.986 10.841 20 1HB TRP 3 2HB TRP 3 -7.705 -4.028 9.158 21 2HB TRP 3 1HB TRP 3 -6.074 -4.493 8.706 22 HD1 TRP 3 HD1 TRP 3 -5.524 -7.173 8.707 23 HE1 TRP 3 HE1 TRP 3 -6.999 -9.113 9.231 24 HE3 TRP 3 HE3 TRP 3 -9.452 -4.747 10.648 25 HZ2 TRP 3 HZ2 TRP 3 -9.574 -9.690 10.387 26 HZ3 TRP 3 HZ3 TRP 3 -11.423 -5.989 11.501 27 HH2 TRP 3 HH2 TRP 3 -11.460 -8.456 11.381 28 H ARG 4 H ARG 4 -8.145 -3.856 12.505 29 HA ARG 4 HA ARG 4 -9.270 -1.398 11.878 30 1HB ARG 4 2HB ARG 4 -9.517 -3.356 13.967 31 2HB ARG 4 1HB ARG 4 -9.372 -1.809 14.762 32 1HG ARG 4 2HG ARG 4 -11.685 -2.001 14.440 33 2HG ARG 4 1HG ARG 4 -11.215 -1.003 13.085 34 1HD ARG 4 2HD ARG 4 -11.672 -4.024 12.964 35 2HD ARG 4 1HD ARG 4 -12.790 -2.790 12.403 36 HE ARG 4 HE ARG 4 -10.100 -2.750 11.184 37 1HH1 ARG 4 2HH1 ARG 4 -13.427 -3.718 10.940 38 2HH1 ARG 4 1HH1 ARG 4 -13.340 -3.923 9.225 39 1HH2 ARG 4 1HH2 ARG 4 -9.982 -3.010 9.041 40 2HH2 ARG 4 2HH2 ARG 4 -11.366 -3.519 8.133 41 H CYS 5 H CYS 5 -6.380 -2.033 13.603 42 HA CYS 5 HA CYS 5 -6.148 0.761 14.581 43 1HB CYS 5 2HB CYS 5 -5.430 -1.464 15.750 44 2HB CYS 5 1HB CYS 5 -4.042 -1.374 14.716 45 H CYS 6 H CYS 6 -4.740 -1.495 12.303 46 HA CYS 6 HA CYS 6 -2.624 0.049 11.234 47 1HB CYS 6 2HB CYS 6 -4.426 -1.800 9.645 48 2HB CYS 6 1HB CYS 6 -2.793 -1.355 9.262 49 H LEU 7 H LEU 7 -6.033 0.330 10.798 50 HA LEU 7 HA LEU 7 -5.937 1.983 8.389 51 1HB LEU 7 2HB LEU 7 -8.171 1.426 10.392 52 2HB LEU 7 1HB LEU 7 -8.399 2.331 8.911 53 HG LEU 7 HG LEU 7 -7.429 -0.568 8.994 54 1HD1 LEU 7 1HD1 LEU 7 -10.190 0.560 8.360 55 2HD1 LEU 7 2HD1 LEU 7 -9.776 -0.357 9.801 56 3HD1 LEU 7 3HD1 LEU 7 -9.719 -1.126 8.225 57 1HD2 LEU 7 1HD2 LEU 7 -8.398 1.160 6.673 58 2HD2 LEU 7 2HD2 LEU 7 -7.946 -0.534 6.570 59 3HD2 LEU 7 3HD2 LEU 7 -6.732 0.673 6.938 60 H ILE 8 H ILE 8 -5.932 2.480 11.817 61 HA ILE 8 HA ILE 8 -6.512 5.333 11.667 62 HB ILE 8 HB ILE 8 -5.301 3.729 13.981 63 1HG1 ILE 8 2HG1 ILE 8 -8.221 4.488 13.466 64 2HG1 ILE 8 1HG1 ILE 8 -7.568 2.891 13.175 65 1HG2 ILE 8 1HG2 ILE 8 -6.728 6.437 13.905 66 2HG2 ILE 8 2HG2 ILE 8 -4.999 6.224 14.116 67 3HG2 ILE 8 3HG2 ILE 8 -6.102 5.675 15.354 68 1HD1 ILE 8 1HD1 ILE 8 -8.682 2.964 15.364 69 2HD1 ILE 8 2HD1 ILE 8 -7.645 4.276 15.887 70 3HD1 ILE 8 3HD1 ILE 8 -6.963 2.688 15.578 71 HA PRO 9 HA PRO 9 -2.318 6.273 10.525 72 1HB PRO 9 2HB PRO 9 -2.330 9.005 10.914 73 2HB PRO 9 1HB PRO 9 -3.145 8.229 9.556 74 1HG PRO 9 2HG PRO 9 -4.323 9.276 12.117 75 2HG PRO 9 1HG PRO 9 -5.044 9.277 10.520 76 1HD PRO 9 2HD PRO 9 -5.705 7.491 12.473 77 2HD PRO 9 1HD PRO 9 -5.929 7.190 10.745 78 H ALA 10 H ALA 10 -3.632 7.623 13.441 79 HA ALA 10 HA ALA 10 -1.242 8.243 14.848 80 1HB ALA 10 1HB ALA 10 -2.681 8.142 16.885 81 2HB ALA 10 2HB ALA 10 -3.934 7.336 15.952 82 3HB ALA 10 3HB ALA 10 -3.489 8.994 15.577 83 H CYS 11 H CYS 11 -2.898 5.242 14.357 84 HA CYS 11 HA CYS 11 -1.332 3.755 16.353 85 1HB CYS 11 2HB CYS 11 -3.630 3.026 15.818 86 2HB CYS 11 1HB CYS 11 -3.171 2.824 14.150 87 H ARG 12 H ARG 12 -1.783 3.705 12.890 88 HA ARG 12 HA ARG 12 0.215 1.984 12.032 89 1HB ARG 12 2HB ARG 12 -1.540 2.942 10.609 90 2HB ARG 12 1HB ARG 12 -0.858 4.539 10.761 91 1HG ARG 12 2HG ARG 12 0.823 2.304 9.589 92 2HG ARG 12 1HG ARG 12 -0.410 3.048 8.596 93 1HD ARG 12 2HD ARG 12 1.912 4.538 9.913 94 2HD ARG 12 1HD ARG 12 1.749 4.151 8.217 95 HE ARG 12 HE ARG 12 -0.246 5.610 8.128 96 1HH1 ARG 12 2HH1 ARG 12 1.869 5.970 10.876 97 2HH1 ARG 12 1HH1 ARG 12 1.321 7.577 11.196 98 1HH2 ARG 12 1HH2 ARG 12 -0.921 7.630 8.542 99 2HH2 ARG 12 2HH2 ARG 12 -0.267 8.527 9.872 100 H ARG 13 H ARG 13 0.469 5.211 13.195 101 HA ARG 13 HA ARG 13 3.106 5.907 12.316 102 1HB ARG 13 2HB ARG 13 1.413 7.505 13.276 103 2HB ARG 13 1HB ARG 13 1.606 6.761 14.842 104 1HG ARG 13 2HG ARG 13 3.897 8.085 13.334 105 2HG ARG 13 1HG ARG 13 2.875 8.948 14.463 106 1HD ARG 13 2HD ARG 13 3.573 7.281 16.263 107 2HD ARG 13 1HD ARG 13 4.743 6.626 15.117 108 HE ARG 13 HE ARG 13 5.081 9.444 15.245 109 1HH1 ARG 13 2HH1 ARG 13 5.538 6.540 17.077 110 2HH1 ARG 13 1HH1 ARG 13 6.884 7.172 17.964 111 1HH2 ARG 13 1HH2 ARG 13 6.784 10.271 16.357 112 2HH2 ARG 13 2HH2 ARG 13 7.601 9.318 17.551 113 H ASN 14 H ASN 14 1.982 4.779 15.461 114 HA ASN 14 HA ASN 14 4.670 3.898 16.260 115 1HB ASN 14 2HB ASN 14 3.114 5.063 17.839 116 2HB ASN 14 1HB ASN 14 1.982 3.727 17.703 117 1HD2 ASN 14 1HD2 ASN 14 2.311 1.950 19.063 118 2HD2 ASN 14 2HD2 ASN 14 3.664 1.752 20.069 119 H HIS 15 H HIS 15 2.574 2.568 14.228 120 HA HIS 15 HA HIS 15 3.401 -0.189 14.913 121 1HB HIS 15 2HB HIS 15 0.488 0.648 14.446 122 2HB HIS 15 1HB HIS 15 1.022 -1.016 14.548 123 HD1 HIS 15 HD1 HIS 15 2.320 -1.519 16.908 124 HD2 HIS 15 HD2 HIS 15 -0.142 1.736 16.924 125 HE1 HIS 15 HE1 HIS 15 1.864 -1.006 19.275 126 H LYS 16 H LYS 16 4.563 1.205 12.983 127 HA LYS 16 HA LYS 16 3.472 1.112 10.405 128 1HB LYS 16 2HB LYS 16 6.353 0.960 11.388 129 2HB LYS 16 1HB LYS 16 5.967 1.080 9.685 130 1HG LYS 16 2HG LYS 16 5.018 3.102 11.755 131 2HG LYS 16 1HG LYS 16 6.508 3.277 10.850 132 1HD LYS 16 2HD LYS 16 5.221 3.201 8.707 133 2HD LYS 16 1HD LYS 16 3.723 3.044 9.600 134 1HE LYS 16 2HE LYS 16 4.076 5.393 8.942 135 2HE LYS 16 1HE LYS 16 4.149 5.245 10.690 136 1HZ LYS 16 1HZ LYS 16 5.932 6.594 9.539 137 2HZ LYS 16 2HZ LYS 16 6.585 5.106 9.043 138 3HZ LYS 16 3HZ LYS 16 6.436 5.457 10.697 139 H LYS 17 H LYS 17 6.159 -0.998 11.245 140 HA LYS 17 HA LYS 17 5.138 -3.101 9.475 141 1HB LYS 17 2HB LYS 17 7.683 -2.265 10.166 142 2HB LYS 17 1HB LYS 17 7.507 -3.582 11.298 143 1HG LYS 17 2HG LYS 17 7.243 -3.780 8.269 144 2HG LYS 17 1HG LYS 17 8.618 -4.310 9.212 145 1HD LYS 17 2HD LYS 17 7.087 -5.964 10.393 146 2HD LYS 17 1HD LYS 17 5.819 -5.495 9.264 147 1HE LYS 17 2HE LYS 17 7.213 -6.177 7.349 148 2HE LYS 17 1HE LYS 17 8.499 -6.660 8.448 149 1HZ LYS 17 1HZ LYS 17 7.053 -8.279 9.427 150 2HZ LYS 17 2HZ LYS 17 7.121 -8.515 7.745 151 3HZ LYS 17 3HZ LYS 17 5.759 -7.779 8.446 152 H PHE 18 H PHE 18 4.764 -2.205 12.652 153 HA PHE 18 HA PHE 18 4.558 -4.625 14.101 154 1HB PHE 18 2HB PHE 18 4.379 -2.227 14.952 155 2HB PHE 18 1HB PHE 18 2.754 -2.209 14.321 156 HD1 PHE 18 HD1 PHE 18 4.864 -3.508 17.021 157 HD2 PHE 18 HD2 PHE 18 0.978 -3.611 15.284 158 HE1 PHE 18 HE1 PHE 18 3.974 -4.536 19.063 159 HE2 PHE 18 HE2 PHE 18 0.088 -4.639 17.326 160 HZ PHE 18 HZ PHE 18 1.587 -5.104 19.221 161 H CYS 19 H CYS 19 2.503 -2.975 11.929 162 HA CYS 19 HA CYS 19 0.146 -4.671 12.242 163 1HB CYS 19 2HB CYS 19 -0.095 -2.377 11.394 164 2HB CYS 19 1HB CYS 19 0.927 -2.742 10.024 165 1HN NH2 20 1HT CYS 19 2.898 -4.601 9.971 166 2HN NH2 20 2HT CYS 19 2.548 -6.091 9.236 Start of MODEL 20 1 1H PHE 1 1H PHE 1 -9.924 -5.286 17.922 2 2H PHE 1 2H PHE 1 -9.008 -5.631 19.312 3 3H PHE 1 3H PHE 1 -8.911 -6.650 17.955 4 HA PHE 1 HA PHE 1 -8.140 -3.799 17.852 5 1HB PHE 1 2HB PHE 1 -6.694 -5.015 19.528 6 2HB PHE 1 1HB PHE 1 -6.383 -6.284 18.362 7 HD1 PHE 1 HD1 PHE 1 -4.692 -5.988 16.648 8 HD2 PHE 1 HD2 PHE 1 -5.829 -2.681 19.090 9 HE1 PHE 1 HE1 PHE 1 -2.792 -4.697 15.787 10 HE2 PHE 1 HE2 PHE 1 -3.923 -1.399 18.224 11 HZ PHE 1 HZ PHE 1 -2.407 -2.398 16.583 12 H ASN 2 H ASN 2 -6.820 -6.818 16.535 13 HA ASN 2 HA ASN 2 -6.374 -7.345 14.204 14 1HB ASN 2 2HB ASN 2 -9.118 -6.066 13.913 15 2HB ASN 2 1HB ASN 2 -8.358 -7.205 12.820 16 1HD2 ASN 2 1HD2 ASN 2 -9.034 -9.283 13.067 17 2HD2 ASN 2 2HD2 ASN 2 -9.608 -9.968 14.512 18 H TRP 3 H TRP 3 -7.646 -5.649 12.241 19 HA TRP 3 HA TRP 3 -5.499 -3.642 11.940 20 1HB TRP 3 2HB TRP 3 -7.465 -3.641 9.717 21 2HB TRP 3 1HB TRP 3 -5.755 -4.031 9.661 22 HD1 TRP 3 HD1 TRP 3 -5.149 -6.642 9.358 23 HE1 TRP 3 HE1 TRP 3 -6.582 -8.679 9.454 24 HE3 TRP 3 HE3 TRP 3 -9.493 -4.592 10.896 25 HZ2 TRP 3 HZ2 TRP 3 -9.257 -9.479 10.114 26 HZ3 TRP 3 HZ3 TRP 3 -11.485 -6.010 11.271 27 HH2 TRP 3 HH2 TRP 3 -11.357 -8.448 10.896 28 H ARG 4 H ARG 4 -8.446 -3.652 13.395 29 HA ARG 4 HA ARG 4 -9.814 -1.399 12.476 30 1HB ARG 4 2HB ARG 4 -9.548 -2.446 15.311 31 2HB ARG 4 1HB ARG 4 -10.452 -1.008 14.966 32 1HG ARG 4 2HG ARG 4 -12.063 -2.756 14.957 33 2HG ARG 4 1HG ARG 4 -11.815 -2.344 13.275 34 1HD ARG 4 2HD ARG 4 -10.266 -4.307 13.049 35 2HD ARG 4 1HD ARG 4 -10.589 -4.694 14.743 36 HE ARG 4 HE ARG 4 -12.889 -4.452 12.880 37 1HH1 ARG 4 2HH1 ARG 4 -10.828 -6.475 14.824 38 2HH1 ARG 4 1HH1 ARG 4 -11.913 -7.817 14.744 39 1HH2 ARG 4 1HH2 ARG 4 -14.250 -6.142 12.784 40 2HH2 ARG 4 2HH2 ARG 4 -13.869 -7.632 13.582 41 H CYS 5 H CYS 5 -7.007 -1.651 14.419 42 HA CYS 5 HA CYS 5 -6.796 1.235 14.999 43 1HB CYS 5 2HB CYS 5 -6.181 -0.600 16.612 44 2HB CYS 5 1HB CYS 5 -4.875 -1.028 15.558 45 H CYS 6 H CYS 6 -4.987 -1.278 13.346 46 HA CYS 6 HA CYS 6 -2.893 0.150 12.202 47 1HB CYS 6 2HB CYS 6 -3.097 -2.265 12.114 48 2HB CYS 6 1HB CYS 6 -4.416 -2.152 10.985 49 H LEU 7 H LEU 7 -6.199 0.332 11.141 50 HA LEU 7 HA LEU 7 -5.536 1.340 8.471 51 1HB LEU 7 2HB LEU 7 -7.984 1.729 8.293 52 2HB LEU 7 1HB LEU 7 -7.622 0.120 8.861 53 HG LEU 7 HG LEU 7 -7.935 1.193 11.274 54 1HD1 LEU 7 1HD1 LEU 7 -8.218 3.570 10.509 55 2HD1 LEU 7 2HD1 LEU 7 -9.653 2.981 11.312 56 3HD1 LEU 7 3HD1 LEU 7 -9.606 3.081 9.561 57 1HD2 LEU 7 1HD2 LEU 7 -10.288 0.622 9.425 58 2HD2 LEU 7 2HD2 LEU 7 -10.344 0.586 11.180 59 3HD2 LEU 7 3HD2 LEU 7 -9.369 -0.585 10.310 60 H ILE 8 H ILE 8 -5.783 2.586 11.585 61 HA ILE 8 HA ILE 8 -6.247 5.384 10.875 62 HB ILE 8 HB ILE 8 -5.233 4.204 13.524 63 1HG1 ILE 8 2HG1 ILE 8 -8.114 4.848 12.704 64 2HG1 ILE 8 1HG1 ILE 8 -7.460 3.224 12.789 65 1HG2 ILE 8 1HG2 ILE 8 -4.880 6.649 13.253 66 2HG2 ILE 8 2HG2 ILE 8 -6.086 6.354 14.480 67 3HG2 ILE 8 3HG2 ILE 8 -6.582 6.864 12.877 68 1HD1 ILE 8 1HD1 ILE 8 -8.706 3.736 14.837 69 2HD1 ILE 8 2HD1 ILE 8 -7.688 5.128 15.154 70 3HD1 ILE 8 3HD1 ILE 8 -7.004 3.509 15.209 71 HA PRO 9 HA PRO 9 -1.986 5.815 9.753 72 1HB PRO 9 2HB PRO 9 -1.705 8.572 9.861 73 2HB PRO 9 1HB PRO 9 -2.537 7.729 8.556 74 1HG PRO 9 2HG PRO 9 -3.702 9.195 10.900 75 2HG PRO 9 1HG PRO 9 -4.363 9.038 9.282 76 1HD PRO 9 2HD PRO 9 -5.258 7.616 11.435 77 2HD PRO 9 1HD PRO 9 -5.457 7.086 9.764 78 H ALA 10 H ALA 10 -3.202 7.387 12.552 79 HA ALA 10 HA ALA 10 -0.718 7.952 13.892 80 1HB ALA 10 1HB ALA 10 -2.152 8.241 15.909 81 2HB ALA 10 2HB ALA 10 -3.501 7.514 15.048 82 3HB ALA 10 3HB ALA 10 -2.842 9.052 14.511 83 H CYS 11 H CYS 11 -2.799 5.141 13.816 84 HA CYS 11 HA CYS 11 -1.416 3.731 15.978 85 1HB CYS 11 2HB CYS 11 -3.801 3.219 15.232 86 2HB CYS 11 1HB CYS 11 -3.102 2.557 13.775 87 H ARG 12 H ARG 12 -1.595 3.636 12.500 88 HA ARG 12 HA ARG 12 0.279 1.588 11.947 89 1HB ARG 12 2HB ARG 12 -1.209 2.567 10.232 90 2HB ARG 12 1HB ARG 12 -0.383 4.103 10.356 91 1HG ARG 12 2HG ARG 12 1.586 1.987 9.832 92 2HG ARG 12 1HG ARG 12 0.277 1.860 8.685 93 1HD ARG 12 2HD ARG 12 2.048 3.348 7.819 94 2HD ARG 12 1HD ARG 12 0.557 4.250 8.065 95 HE ARG 12 HE ARG 12 1.937 4.610 10.436 96 1HH1 ARG 12 2HH1 ARG 12 2.566 5.104 7.065 97 2HH1 ARG 12 1HH1 ARG 12 3.611 6.455 7.342 98 1HH2 ARG 12 1HH2 ARG 12 3.263 6.339 10.804 99 2HH2 ARG 12 2HH2 ARG 12 4.016 7.155 9.477 100 H ARG 13 H ARG 13 0.599 4.952 12.709 101 HA ARG 13 HA ARG 13 3.419 5.177 12.135 102 1HB ARG 13 2HB ARG 13 1.884 7.134 12.174 103 2HB ARG 13 1HB ARG 13 1.611 6.902 13.890 104 1HG ARG 13 2HG ARG 13 4.020 7.347 14.336 105 2HG ARG 13 1HG ARG 13 4.313 7.519 12.613 106 1HD ARG 13 2HD ARG 13 2.759 9.459 12.544 107 2HD ARG 13 1HD ARG 13 2.433 9.266 14.268 108 HE ARG 13 HE ARG 13 5.248 9.471 13.904 109 1HH1 ARG 13 2HH1 ARG 13 2.355 11.357 13.622 110 2HH1 ARG 13 1HH1 ARG 13 3.161 12.853 13.954 111 1HH2 ARG 13 1HH2 ARG 13 6.290 11.353 14.329 112 2HH2 ARG 13 2HH2 ARG 13 5.422 12.852 14.361 113 H ASN 14 H ASN 14 1.539 4.138 14.813 114 HA ASN 14 HA ASN 14 3.682 4.257 16.794 115 1HB ASN 14 2HB ASN 14 1.287 4.531 17.429 116 2HB ASN 14 1HB ASN 14 0.950 2.893 16.897 117 1HD2 ASN 14 1HD2 ASN 14 1.660 1.131 18.212 118 2HD2 ASN 14 2HD2 ASN 14 2.259 1.361 19.784 119 H HIS 15 H HIS 15 2.704 1.985 14.382 120 HA HIS 15 HA HIS 15 4.854 0.160 15.188 121 1HB HIS 15 2HB HIS 15 3.417 -1.786 15.643 122 2HB HIS 15 1HB HIS 15 2.840 -0.474 16.631 123 HD1 HIS 15 HD1 HIS 15 0.837 -2.572 16.018 124 HD2 HIS 15 HD2 HIS 15 1.286 0.623 13.528 125 HE1 HIS 15 HE1 HIS 15 -1.272 -2.372 14.752 126 H LYS 16 H LYS 16 4.983 1.476 12.993 127 HA LYS 16 HA LYS 16 3.711 0.811 10.654 128 1HB LYS 16 2HB LYS 16 6.720 1.234 10.968 129 2HB LYS 16 1HB LYS 16 5.890 1.236 9.439 130 1HG LYS 16 2HG LYS 16 6.171 3.523 9.964 131 2HG LYS 16 1HG LYS 16 4.484 3.175 10.236 132 1HD LYS 16 2HD LYS 16 5.477 4.619 11.992 133 2HD LYS 16 1HD LYS 16 4.818 3.158 12.673 134 1HE LYS 16 2HE LYS 16 7.031 3.728 13.645 135 2HE LYS 16 1HE LYS 16 7.144 2.204 12.788 136 1HZ LYS 16 1HZ LYS 16 8.137 3.280 10.946 137 2HZ LYS 16 2HZ LYS 16 8.960 3.803 12.337 138 3HZ LYS 16 3HZ LYS 16 7.827 4.822 11.585 139 H LYS 17 H LYS 17 6.425 -1.033 11.965 140 HA LYS 17 HA LYS 17 6.351 -2.922 9.773 141 1HB LYS 17 2HB LYS 17 8.404 -2.434 11.153 142 2HB LYS 17 1HB LYS 17 7.646 -3.178 12.551 143 1HG LYS 17 2HG LYS 17 7.473 -5.344 11.234 144 2HG LYS 17 1HG LYS 17 8.348 -4.579 9.927 145 1HD LYS 17 2HD LYS 17 9.437 -4.951 12.751 146 2HD LYS 17 1HD LYS 17 9.775 -6.028 11.417 147 1HE LYS 17 2HE LYS 17 11.666 -4.552 11.576 148 2HE LYS 17 1HE LYS 17 10.761 -4.009 10.173 149 1HZ LYS 17 1HZ LYS 17 10.350 -2.066 11.111 150 2HZ LYS 17 2HZ LYS 17 11.555 -2.469 12.237 151 3HZ LYS 17 3HZ LYS 17 9.922 -2.752 12.605 152 H PHE 18 H PHE 18 5.097 -2.915 13.010 153 HA PHE 18 HA PHE 18 4.129 -5.605 13.062 154 1HB PHE 18 2HB PHE 18 4.251 -3.846 14.950 155 2HB PHE 18 1HB PHE 18 2.756 -3.223 14.304 156 HD1 PHE 18 HD1 PHE 18 0.648 -4.407 14.505 157 HD2 PHE 18 HD2 PHE 18 4.244 -6.151 15.989 158 HE1 PHE 18 HE1 PHE 18 -0.664 -6.088 15.712 159 HE2 PHE 18 HE2 PHE 18 2.925 -7.832 17.195 160 HZ PHE 18 HZ PHE 18 0.471 -7.805 17.060 161 H CYS 19 H CYS 19 3.151 -2.725 11.634 162 HA CYS 19 HA CYS 19 1.292 -3.842 9.744 163 1HB CYS 19 2HB CYS 19 0.043 -3.798 12.113 164 2HB CYS 19 1HB CYS 19 -0.211 -2.143 11.685 165 1HN NH2 20 1HT CYS 19 1.488 -2.406 8.037 166 2HN NH2 20 2HT CYS 19 1.700 -0.727 8.182
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