NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
554379 | 2llr | 18085 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H ARG 1 1.807 0.001 0.855 2 HA ARG 1 HA ARG 1 1.566 0.615 -1.956 3 HB2 ARG 1 2HB ARG 1 3.584 0.848 0.035 4 HB3 ARG 1 3HB ARG 1 4.225 -0.156 -1.259 5 HG2 ARG 1 2HG ARG 1 3.735 1.574 -2.883 6 HG3 ARG 1 3HG ARG 1 3.007 2.573 -1.624 7 HD2 ARG 1 2HD ARG 1 5.820 1.611 -1.324 8 HD3 ARG 1 3HD ARG 1 5.472 2.990 -2.365 9 HE ARG 1 HE ARG 1 4.218 3.634 -0.062 10 HH11 ARG 1 1HH1 ARG 1 7.457 2.594 -0.801 11 HH12 ARG 1 2HH1 ARG 1 8.175 3.459 0.516 12 HH21 ARG 1 1HH2 ARG 1 5.152 4.778 1.676 13 HH22 ARG 1 2HH2 ARG 1 6.863 4.701 1.926 14 H GLY 2 H GLY 2 2.654 -0.688 -3.619 15 HA2 GLY 2 2HA GLY 2 3.685 -3.132 -3.631 16 HA3 GLY 2 3HA GLY 2 2.015 -3.508 -3.233 17 H CYS 3 H CYS 3 2.617 -4.734 -5.367 18 HA CYS 3 HA CYS 3 1.394 -3.190 -7.526 19 HB2 CYS 3 2HB CYS 3 4.149 -3.744 -7.461 20 HB3 CYS 3 3HB CYS 3 3.463 -4.889 -8.610 21 H TYR 4 H TYR 4 0.536 -4.536 -9.249 22 HA TYR 4 HA TYR 4 0.349 -7.389 -8.750 23 HB2 TYR 4 2HB TYR 4 -2.098 -5.609 -8.727 24 HB3 TYR 4 3HB TYR 4 -2.131 -7.369 -8.773 25 HD1 TYR 4 HD1 TYR 4 -1.201 -8.652 -6.814 26 HD2 TYR 4 HD2 TYR 4 -1.853 -4.449 -6.686 27 HE1 TYR 4 HE1 TYR 4 -1.129 -8.722 -4.356 28 HE2 TYR 4 HE2 TYR 4 -1.782 -4.507 -4.228 29 HH TYR 4 HH TYR 4 -0.500 -6.715 -2.476 30 H THR 5 H THR 5 -0.669 -8.550 -10.516 31 HA THR 5 HA THR 5 -0.146 -7.240 -13.061 32 HB THR 5 HB THR 5 -0.801 -10.122 -12.422 33 HG1 THR 5 HG1 THR 5 1.651 -9.173 -13.445 34 HG21 THR 5 3HG2 THR 5 -1.560 -9.772 -14.631 35 HG22 THR 5 1HG2 THR 5 0.051 -10.470 -14.797 36 HG23 THR 5 2HG2 THR 5 -0.188 -8.737 -15.023 37 H ARG 6 H ARG 6 -1.640 -6.912 -14.668 38 HA ARG 6 HA ARG 6 -4.419 -7.682 -14.158 39 HB2 ARG 6 2HB ARG 6 -3.339 -4.922 -14.330 40 HB3 ARG 6 3HB ARG 6 -4.856 -5.232 -15.162 41 HG2 ARG 6 2HG ARG 6 -5.845 -6.033 -13.083 42 HG3 ARG 6 3HG ARG 6 -4.319 -5.747 -12.244 43 HD2 ARG 6 2HD ARG 6 -5.600 -3.859 -11.751 44 HD3 ARG 6 3HD ARG 6 -4.543 -3.330 -13.059 45 HE ARG 6 HE ARG 6 -6.381 -3.093 -14.415 46 HH11 ARG 6 1HH1 ARG 6 -7.266 -4.855 -11.546 47 HH12 ARG 6 2HH1 ARG 6 -8.967 -4.787 -11.872 48 HH21 ARG 6 1HH2 ARG 6 -8.617 -2.996 -14.855 49 HH22 ARG 6 2HH2 ARG 6 -9.734 -3.730 -13.754 50 H CYS 7 H CYS 7 -5.714 -7.857 -16.012 51 HA CYS 7 HA CYS 7 -4.538 -7.324 -18.612 52 HB2 CYS 7 2HB CYS 7 -4.310 -9.887 -17.455 53 HB3 CYS 7 3HB CYS 7 -5.567 -10.012 -18.681 54 H TRP 8 H TRP 8 -6.064 -7.486 -20.351 55 HA TRP 8 HA TRP 8 -8.781 -8.178 -19.945 56 HB2 TRP 8 2HB TRP 8 -9.842 -6.069 -19.825 57 HB3 TRP 8 3HB TRP 8 -8.546 -5.997 -18.634 58 HD1 TRP 8 HD1 TRP 8 -9.927 -4.147 -21.528 59 HE1 TRP 8 HE1 TRP 8 -8.343 -2.236 -22.212 60 HE3 TRP 8 HE3 TRP 8 -5.803 -5.503 -18.826 61 HZ2 TRP 8 HZ2 TRP 8 -5.697 -1.413 -21.678 62 HZ3 TRP 8 HZ3 TRP 8 -3.787 -4.100 -18.969 63 HH2 TRP 8 HH2 TRP 8 -3.736 -2.099 -20.366 64 H LYS 9 H LYS 9 -9.966 -8.151 -21.855 65 HA LYS 9 HA LYS 9 -8.450 -8.209 -24.253 66 HB2 LYS 9 2HB LYS 9 -10.491 -8.797 -25.347 67 HB3 LYS 9 3HB LYS 9 -10.493 -9.590 -23.778 68 HG2 LYS 9 2HG LYS 9 -11.876 -7.630 -22.953 69 HG3 LYS 9 3HG LYS 9 -12.069 -7.191 -24.652 70 HD2 LYS 9 2HD LYS 9 -12.741 -9.926 -23.592 71 HD3 LYS 9 3HD LYS 9 -13.912 -8.606 -23.632 72 HE2 LYS 9 2HE LYS 9 -13.543 -8.406 -26.068 73 HE3 LYS 9 3HE LYS 9 -12.457 -9.793 -25.993 74 HZ1 LYS 9 3HZ LYS 9 -14.326 -10.915 -26.471 75 HZ2 LYS 9 1HZ LYS 9 -15.353 -9.702 -25.890 76 HZ3 LYS 9 2HZ LYS 9 -14.628 -10.784 -24.811 77 H VAL 10 H VAL 10 -8.120 -6.702 -25.779 78 HA VAL 10 HA VAL 10 -9.660 -4.198 -25.628 79 HB VAL 10 HB VAL 10 -6.732 -4.214 -26.312 80 HG11 VAL 10 1HG1 VAL 10 -6.997 -1.823 -25.500 81 HG12 VAL 10 2HG1 VAL 10 -7.802 -2.234 -27.016 82 HG13 VAL 10 3HG1 VAL 10 -8.736 -2.115 -25.524 83 HG21 VAL 10 3HG2 VAL 10 -6.636 -3.229 -23.855 84 HG22 VAL 10 1HG2 VAL 10 -8.019 -4.301 -23.636 85 HG23 VAL 10 2HG2 VAL 10 -6.471 -4.956 -24.169 86 H GLY 11 H GLY 11 -9.739 -2.978 -27.615 87 HA2 GLY 11 2HA GLY 11 -10.232 -2.881 -29.860 88 HA3 GLY 11 3HA GLY 11 -8.661 -3.644 -30.055 89 H ARG 12 H ARG 12 -9.506 -4.717 -31.919 90 HA ARG 12 HA ARG 12 -11.118 -7.076 -31.214 91 HB2 ARG 12 2HB ARG 12 -12.351 -5.274 -32.553 92 HB3 ARG 12 3HB ARG 12 -11.297 -5.710 -33.892 93 HG2 ARG 12 2HG ARG 12 -13.072 -7.042 -34.364 94 HG3 ARG 12 3HG ARG 12 -12.165 -8.138 -33.319 95 HD2 ARG 12 2HD ARG 12 -13.536 -7.557 -31.432 96 HD3 ARG 12 3HD ARG 12 -14.358 -6.305 -32.362 97 HE ARG 12 HE ARG 12 -14.630 -8.869 -33.572 98 HH11 ARG 12 1HH1 ARG 12 -15.838 -6.849 -31.006 99 HH12 ARG 12 2HH1 ARG 12 -17.390 -7.617 -30.955 100 HH21 ARG 12 1HH2 ARG 12 -16.670 -9.888 -33.515 101 HH22 ARG 12 2HH2 ARG 12 -17.862 -9.346 -32.382 102 H ASN 13 H ASN 13 -8.340 -7.043 -31.189 103 HA ASN 13 HA ASN 13 -7.766 -9.166 -33.004 104 HB2 ASN 13 2HB ASN 13 -7.492 -6.897 -34.308 105 HB3 ASN 13 3HB ASN 13 -5.970 -6.807 -33.426 106 HD21 ASN 13 1HD2 ASN 13 -7.879 -9.023 -35.422 107 HD22 ASN 13 2HD2 ASN 13 -6.528 -9.734 -36.229 108 H GLY 14 H GLY 14 -7.696 -9.281 -30.352 109 HA2 GLY 14 2HA GLY 14 -5.803 -10.498 -29.257 110 HA3 GLY 14 3HA GLY 14 -4.827 -9.094 -29.665 111 H ARG 15 H ARG 15 -4.518 -9.442 -27.214 112 HA ARG 15 HA ARG 15 -6.448 -7.699 -25.835 113 HB2 ARG 15 2HB ARG 15 -5.068 -10.129 -24.677 114 HB3 ARG 15 3HB ARG 15 -6.084 -9.011 -23.776 115 HG2 ARG 15 2HG ARG 15 -7.782 -10.359 -24.241 116 HG3 ARG 15 3HG ARG 15 -7.670 -9.786 -25.907 117 HD2 ARG 15 2HD ARG 15 -6.483 -11.646 -26.604 118 HD3 ARG 15 3HD ARG 15 -5.914 -12.017 -24.977 119 HE ARG 15 HE ARG 15 -8.716 -12.280 -25.080 120 HH11 ARG 15 1HH1 ARG 15 -5.811 -13.835 -26.204 121 HH12 ARG 15 2HH1 ARG 15 -6.521 -15.414 -26.258 122 HH21 ARG 15 1HH2 ARG 15 -9.663 -14.354 -25.148 123 HH22 ARG 15 2HH2 ARG 15 -8.713 -15.708 -25.659 124 H VAL 16 H VAL 16 -5.353 -7.074 -23.580 125 HA VAL 16 HA VAL 16 -2.521 -6.445 -23.991 126 HB VAL 16 HB VAL 16 -4.685 -4.415 -23.457 127 HG11 VAL 16 1HG1 VAL 16 -2.969 -3.941 -21.866 128 HG12 VAL 16 2HG1 VAL 16 -1.706 -4.160 -23.079 129 HG13 VAL 16 3HG1 VAL 16 -2.807 -2.786 -23.188 130 HG21 VAL 16 3HG2 VAL 16 -2.566 -4.693 -25.583 131 HG22 VAL 16 1HG2 VAL 16 -4.314 -4.799 -25.789 132 HG23 VAL 16 2HG2 VAL 16 -3.567 -3.257 -25.369 133 H CYS 17 H CYS 17 -1.326 -6.252 -22.127 134 HA CYS 17 HA CYS 17 -2.767 -6.800 -19.614 135 HB2 CYS 17 2HB CYS 17 -0.741 -8.308 -20.879 136 HB3 CYS 17 3HB CYS 17 0.006 -7.554 -19.474 137 H MET 18 H MET 18 -2.359 -5.535 -17.882 138 HA MET 18 HA MET 18 -0.188 -3.560 -18.106 139 HB2 MET 18 2HB MET 18 -1.591 -1.833 -17.228 140 HB3 MET 18 3HB MET 18 -2.444 -2.571 -18.577 141 HG2 MET 18 2HG MET 18 -3.725 -3.933 -16.940 142 HG3 MET 18 3HG MET 18 -2.950 -3.020 -15.648 143 HE1 MET 18 3HE MET 18 -4.317 -1.829 -14.458 144 HE2 MET 18 1HE MET 18 -3.828 -0.253 -15.080 145 HE3 MET 18 2HE MET 18 -5.540 -0.650 -14.934 146 H ARG 19 H ARG 19 0.810 -2.936 -16.177 147 HA ARG 19 HA ARG 19 0.308 -4.760 -13.923 148 HB2 ARG 19 2HB ARG 19 2.668 -4.103 -13.249 149 HB3 ARG 19 3HB ARG 19 2.517 -5.081 -14.703 150 HG2 ARG 19 2HG ARG 19 3.271 -3.438 -16.054 151 HG3 ARG 19 3HG ARG 19 2.533 -2.157 -15.090 152 HD2 ARG 19 2HD ARG 19 4.306 -2.085 -13.596 153 HD3 ARG 19 3HD ARG 19 4.846 -3.712 -14.008 154 HE ARG 19 HE ARG 19 5.204 -2.312 -16.307 155 HH11 ARG 19 1HH1 ARG 19 6.220 -1.857 -13.008 156 HH12 ARG 19 2HH1 ARG 19 7.684 -1.035 -13.436 157 HH21 ARG 19 1HH2 ARG 19 7.128 -1.231 -16.882 158 HH22 ARG 19 2HH2 ARG 19 8.199 -0.679 -15.639 159 H VAL 20 H VAL 20 -1.278 -3.569 -12.872 160 HA VAL 20 HA VAL 20 -1.010 -0.792 -12.289 161 HB VAL 20 HB VAL 20 -3.197 -1.985 -12.387 162 HG11 VAL 20 1HG1 VAL 20 -2.527 -4.021 -11.207 163 HG12 VAL 20 2HG1 VAL 20 -2.348 -3.097 -9.714 164 HG13 VAL 20 3HG1 VAL 20 -3.938 -3.277 -10.457 165 HG21 VAL 20 3HG2 VAL 20 -2.540 0.178 -10.968 166 HG22 VAL 20 1HG2 VAL 20 -4.175 -0.482 -10.994 167 HG23 VAL 20 2HG2 VAL 20 -3.095 -0.855 -9.651 168 H CYS 21 H CYS 21 -0.389 0.230 -10.415 169 HA CYS 21 HA CYS 21 0.798 -1.451 -8.311 170 HB2 CYS 21 2HB CYS 21 2.222 0.174 -10.096 171 HB3 CYS 21 3HB CYS 21 2.168 1.084 -8.590 172 H THR 22 H THR 22 0.107 -0.987 -6.330 173 HA THR 22 HA THR 22 -0.637 1.711 -5.586 174 HB THR 22 HB THR 22 -2.735 0.917 -6.546 175 HG1 THR 22 HG1 THR 22 -3.054 2.226 -4.789 176 HG21 THR 22 3HG2 THR 22 -2.588 -1.439 -6.393 177 HG22 THR 22 1HG2 THR 22 -3.918 -0.977 -5.332 178 HG23 THR 22 2HG2 THR 22 -2.346 -1.387 -4.647 Start of MODEL 2 1 H1 ARG 1 H ARG 1 -1.756 -2.047 -1.136 2 HA ARG 1 HA ARG 1 -0.169 -0.315 -2.873 3 HB2 ARG 1 2HB ARG 1 0.147 -1.425 -0.133 4 HB3 ARG 1 3HB ARG 1 1.615 -1.123 -1.053 5 HG2 ARG 1 2HG ARG 1 1.390 1.120 -0.940 6 HG3 ARG 1 3HG ARG 1 -0.372 1.057 -1.010 7 HD2 ARG 1 2HD ARG 1 -0.512 0.456 1.297 8 HD3 ARG 1 3HD ARG 1 1.233 0.225 1.399 9 HE ARG 1 HE ARG 1 0.991 2.819 0.667 10 HH11 ARG 1 1HH1 ARG 1 -0.389 0.913 3.232 11 HH12 ARG 1 2HH1 ARG 1 -0.511 2.245 4.333 12 HH21 ARG 1 1HH2 ARG 1 0.836 4.581 2.107 13 HH22 ARG 1 2HH2 ARG 1 0.186 4.331 3.692 14 H GLY 2 H GLY 2 2.232 -1.248 -3.065 15 HA2 GLY 2 2HA GLY 2 3.632 -2.984 -3.757 16 HA3 GLY 2 3HA GLY 2 2.276 -4.095 -3.635 17 H CYS 3 H CYS 3 3.578 -4.662 -5.732 18 HA CYS 3 HA CYS 3 2.285 -3.244 -7.970 19 HB2 CYS 3 2HB CYS 3 4.918 -4.721 -8.106 20 HB3 CYS 3 3HB CYS 3 4.201 -3.698 -9.347 21 H TYR 4 H TYR 4 1.267 -4.442 -9.514 22 HA TYR 4 HA TYR 4 1.562 -7.317 -9.605 23 HB2 TYR 4 2HB TYR 4 -0.940 -7.646 -9.321 24 HB3 TYR 4 3HB TYR 4 -0.042 -7.266 -7.855 25 HD1 TYR 4 HD2 TYR 4 -1.880 -5.486 -10.584 26 HD2 TYR 4 HD1 TYR 4 -0.944 -5.687 -6.438 27 HE1 TYR 4 HE2 TYR 4 -3.392 -3.593 -10.156 28 HE2 TYR 4 HE1 TYR 4 -2.454 -3.796 -5.999 29 HH TYR 4 HH TYR 4 -3.503 -1.983 -7.100 30 H THR 5 H THR 5 0.413 -8.282 -11.408 31 HA THR 5 HA THR 5 0.170 -6.394 -13.624 32 HB THR 5 HB THR 5 0.328 -9.413 -13.615 33 HG1 THR 5 HG1 THR 5 2.240 -7.702 -14.765 34 HG21 THR 5 3HG2 THR 5 0.150 -7.447 -15.896 35 HG22 THR 5 1HG2 THR 5 -0.965 -8.760 -15.521 36 HG23 THR 5 2HG2 THR 5 0.666 -9.123 -16.083 37 H ARG 6 H ARG 6 -1.666 -6.084 -14.796 38 HA ARG 6 HA ARG 6 -4.034 -7.677 -14.126 39 HB2 ARG 6 2HB ARG 6 -3.716 -4.711 -13.870 40 HB3 ARG 6 3HB ARG 6 -5.285 -5.379 -14.299 41 HG2 ARG 6 2HG ARG 6 -3.937 -6.603 -11.978 42 HG3 ARG 6 3HG ARG 6 -4.501 -4.942 -11.779 43 HD2 ARG 6 2HD ARG 6 -6.322 -6.221 -11.095 44 HD3 ARG 6 3HD ARG 6 -6.717 -5.798 -12.760 45 HE ARG 6 HE ARG 6 -6.613 -8.015 -13.304 46 HH11 ARG 6 1HH1 ARG 6 -5.021 -7.526 -10.247 47 HH12 ARG 6 2HH1 ARG 6 -4.804 -9.217 -9.941 48 HH21 ARG 6 1HH2 ARG 6 -6.334 -10.245 -12.913 49 HH22 ARG 6 2HH2 ARG 6 -5.550 -10.763 -11.459 50 H CYS 7 H CYS 7 -5.561 -7.862 -15.767 51 HA CYS 7 HA CYS 7 -4.757 -6.749 -18.375 52 HB2 CYS 7 2HB CYS 7 -6.171 -9.389 -18.058 53 HB3 CYS 7 3HB CYS 7 -5.306 -8.772 -19.462 54 H TRP 8 H TRP 8 -6.658 -6.912 -19.986 55 HA TRP 8 HA TRP 8 -9.279 -6.610 -18.791 56 HB2 TRP 8 2HB TRP 8 -9.671 -4.361 -19.505 57 HB3 TRP 8 3HB TRP 8 -8.168 -4.358 -18.587 58 HD1 TRP 8 HD1 TRP 8 -9.564 -3.647 -22.029 59 HE1 TRP 8 HE1 TRP 8 -7.703 -2.674 -23.516 60 HE3 TRP 8 HE3 TRP 8 -5.558 -4.481 -18.965 61 HZ2 TRP 8 HZ2 TRP 8 -4.906 -2.308 -23.405 62 HZ3 TRP 8 HZ3 TRP 8 -3.324 -3.790 -19.730 63 HH2 TRP 8 HH2 TRP 8 -3.007 -2.727 -21.905 64 H LYS 9 H LYS 9 -10.968 -6.244 -20.470 65 HA LYS 9 HA LYS 9 -10.449 -7.955 -22.727 66 HB2 LYS 9 2HB LYS 9 -12.628 -7.671 -21.262 67 HB3 LYS 9 3HB LYS 9 -12.991 -6.410 -22.434 68 HG2 LYS 9 2HG LYS 9 -12.143 -8.793 -23.786 69 HG3 LYS 9 3HG LYS 9 -13.460 -9.158 -22.669 70 HD2 LYS 9 2HD LYS 9 -14.863 -7.500 -23.681 71 HD3 LYS 9 3HD LYS 9 -13.529 -6.904 -24.671 72 HE2 LYS 9 2HE LYS 9 -14.705 -8.228 -26.161 73 HE3 LYS 9 3HE LYS 9 -13.452 -9.326 -25.586 74 HZ1 LYS 9 3HZ LYS 9 -15.102 -10.169 -23.953 75 HZ2 LYS 9 1HZ LYS 9 -15.514 -10.479 -25.564 76 HZ3 LYS 9 2HZ LYS 9 -16.287 -9.235 -24.719 77 H VAL 10 H VAL 10 -9.142 -6.981 -24.205 78 HA VAL 10 HA VAL 10 -9.554 -4.252 -25.033 79 HB VAL 10 HB VAL 10 -7.831 -6.216 -26.511 80 HG11 VAL 10 1HG1 VAL 10 -7.521 -4.305 -27.648 81 HG12 VAL 10 2HG1 VAL 10 -8.136 -3.304 -26.331 82 HG13 VAL 10 3HG1 VAL 10 -6.467 -3.874 -26.303 83 HG21 VAL 10 3HG2 VAL 10 -6.844 -6.689 -24.538 84 HG22 VAL 10 1HG2 VAL 10 -6.086 -5.114 -24.769 85 HG23 VAL 10 2HG2 VAL 10 -7.511 -5.264 -23.742 86 H GLY 11 H GLY 11 -9.834 -3.680 -27.341 87 HA2 GLY 11 2HA GLY 11 -12.200 -4.782 -28.384 88 HA3 GLY 11 3HA GLY 11 -11.121 -3.690 -29.240 89 H ARG 12 H ARG 12 -11.508 -4.833 -31.185 90 HA ARG 12 HA ARG 12 -10.988 -7.614 -31.450 91 HB2 ARG 12 2HB ARG 12 -11.375 -5.346 -33.373 92 HB3 ARG 12 3HB ARG 12 -10.818 -6.907 -33.960 93 HG2 ARG 12 2HG ARG 12 -12.982 -7.396 -34.159 94 HG3 ARG 12 3HG ARG 12 -12.952 -7.610 -32.408 95 HD2 ARG 12 2HD ARG 12 -13.808 -5.452 -32.025 96 HD3 ARG 12 3HD ARG 12 -13.472 -4.938 -33.677 97 HE ARG 12 HE ARG 12 -15.798 -6.316 -32.742 98 HH11 ARG 12 1HH1 ARG 12 -13.730 -5.806 -35.496 99 HH12 ARG 12 2HH1 ARG 12 -14.963 -6.181 -36.655 100 HH21 ARG 12 1HH2 ARG 12 -17.429 -6.811 -34.257 101 HH22 ARG 12 2HH2 ARG 12 -17.066 -6.751 -35.949 102 H ASN 13 H ASN 13 -8.917 -7.728 -30.352 103 HA ASN 13 HA ASN 13 -6.750 -7.896 -32.137 104 HB2 ASN 13 2HB ASN 13 -7.000 -5.340 -31.658 105 HB3 ASN 13 3HB ASN 13 -6.257 -5.738 -30.111 106 HD21 ASN 13 1HD2 ASN 13 -5.725 -5.007 -33.345 107 HD22 ASN 13 2HD2 ASN 13 -4.036 -5.362 -33.411 108 H GLY 14 H GLY 14 -8.112 -9.415 -30.072 109 HA2 GLY 14 2HA GLY 14 -7.496 -11.007 -28.527 110 HA3 GLY 14 3HA GLY 14 -5.825 -10.533 -28.794 111 H ARG 15 H ARG 15 -6.003 -11.096 -26.366 112 HA ARG 15 HA ARG 15 -7.027 -8.887 -24.766 113 HB2 ARG 15 2HB ARG 15 -5.973 -11.625 -24.148 114 HB3 ARG 15 3HB ARG 15 -6.059 -10.409 -22.880 115 HG2 ARG 15 2HG ARG 15 -8.535 -10.171 -23.772 116 HG3 ARG 15 3HG ARG 15 -8.239 -11.828 -24.303 117 HD2 ARG 15 2HD ARG 15 -7.694 -10.900 -21.495 118 HD3 ARG 15 3HD ARG 15 -9.261 -11.533 -21.998 119 HE ARG 15 HE ARG 15 -6.905 -13.037 -21.445 120 HH11 ARG 15 1HH1 ARG 15 -9.769 -12.954 -23.422 121 HH12 ARG 15 2HH1 ARG 15 -9.827 -14.672 -23.640 122 HH21 ARG 15 1HH2 ARG 15 -6.970 -15.300 -21.724 123 HH22 ARG 15 2HH2 ARG 15 -8.235 -16.006 -22.673 124 H VAL 16 H VAL 16 -5.617 -8.033 -22.997 125 HA VAL 16 HA VAL 16 -2.760 -8.076 -23.521 126 HB VAL 16 HB VAL 16 -4.402 -5.560 -23.793 127 HG11 VAL 16 1HG1 VAL 16 -2.546 -5.010 -22.380 128 HG12 VAL 16 2HG1 VAL 16 -1.425 -5.868 -23.439 129 HG13 VAL 16 3HG1 VAL 16 -2.212 -4.392 -23.997 130 HG21 VAL 16 3HG2 VAL 16 -2.496 -7.004 -25.627 131 HG22 VAL 16 1HG2 VAL 16 -4.229 -6.766 -25.850 132 HG23 VAL 16 2HG2 VAL 16 -3.132 -5.389 -25.939 133 H CYS 17 H CYS 17 -1.523 -7.500 -21.758 134 HA CYS 17 HA CYS 17 -3.014 -6.845 -19.301 135 HB2 CYS 17 2HB CYS 17 -0.521 -8.544 -19.534 136 HB3 CYS 17 3HB CYS 17 -1.391 -8.178 -18.048 137 H MET 18 H MET 18 -2.355 -5.124 -18.165 138 HA MET 18 HA MET 18 0.070 -3.743 -19.083 139 HB2 MET 18 2HB MET 18 -0.923 -1.728 -18.040 140 HB3 MET 18 3HB MET 18 -1.940 -2.413 -19.301 141 HG2 MET 18 2HG MET 18 -3.400 -3.392 -17.669 142 HG3 MET 18 3HG MET 18 -2.330 -2.898 -16.359 143 HE1 MET 18 3HE MET 18 -5.732 -0.920 -16.175 144 HE2 MET 18 1HE MET 18 -5.033 -2.531 -16.007 145 HE3 MET 18 2HE MET 18 -4.454 -1.209 -14.994 146 H ARG 19 H ARG 19 1.598 -2.981 -17.618 147 HA ARG 19 HA ARG 19 1.788 -4.513 -15.175 148 HB2 ARG 19 2HB ARG 19 4.011 -3.389 -14.966 149 HB3 ARG 19 3HB ARG 19 3.796 -4.283 -16.465 150 HG2 ARG 19 2HG ARG 19 4.204 -2.471 -17.669 151 HG3 ARG 19 3HG ARG 19 2.955 -1.563 -16.816 152 HD2 ARG 19 2HD ARG 19 5.468 -2.011 -15.338 153 HD3 ARG 19 3HD ARG 19 5.578 -0.948 -16.741 154 HE ARG 19 HE ARG 19 3.373 -0.155 -15.223 155 HH11 ARG 19 1HH1 ARG 19 6.843 -0.276 -14.973 156 HH12 ARG 19 2HH1 ARG 19 6.944 1.090 -13.912 157 HH21 ARG 19 1HH2 ARG 19 3.493 1.645 -13.827 158 HH22 ARG 19 2HH2 ARG 19 5.038 2.181 -13.260 159 H VAL 20 H VAL 20 0.824 -3.849 -13.379 160 HA VAL 20 HA VAL 20 0.523 -0.959 -12.911 161 HB VAL 20 HB VAL 20 -0.972 -3.233 -11.597 162 HG11 VAL 20 1HG1 VAL 20 -0.954 -0.287 -11.239 163 HG12 VAL 20 2HG1 VAL 20 -2.509 -1.117 -11.142 164 HG13 VAL 20 3HG1 VAL 20 -1.195 -1.571 -10.055 165 HG21 VAL 20 3HG2 VAL 20 -2.318 -3.276 -13.363 166 HG22 VAL 20 1HG2 VAL 20 -2.645 -1.554 -13.167 167 HG23 VAL 20 2HG2 VAL 20 -1.296 -2.086 -14.170 168 H CYS 21 H CYS 21 2.402 -0.396 -11.905 169 HA CYS 21 HA CYS 21 2.908 -1.673 -9.303 170 HB2 CYS 21 2HB CYS 21 4.623 -2.435 -10.862 171 HB3 CYS 21 3HB CYS 21 4.988 -0.771 -11.306 172 H THR 22 H THR 22 3.431 -0.323 -7.627 173 HA THR 22 HA THR 22 3.019 2.531 -8.132 174 HB THR 22 HB THR 22 1.596 1.525 -6.417 175 HG1 THR 22 HG1 THR 22 3.546 3.218 -5.213 176 HG21 THR 22 3HG2 THR 22 3.062 -0.265 -5.667 177 HG22 THR 22 1HG2 THR 22 2.579 0.735 -4.298 178 HG23 THR 22 2HG2 THR 22 4.189 0.913 -4.994 Start of MODEL 3 1 H1 ARG 1 H ARG 1 4.740 -1.426 -0.185 2 HA ARG 1 HA ARG 1 2.184 -1.620 -1.639 3 HB2 ARG 1 2HB ARG 1 3.768 0.738 -0.856 4 HB3 ARG 1 3HB ARG 1 3.235 0.732 -2.532 5 HG2 ARG 1 2HG ARG 1 1.325 1.586 -1.794 6 HG3 ARG 1 3HG ARG 1 0.976 -0.012 -1.132 7 HD2 ARG 1 2HD ARG 1 0.696 1.367 0.707 8 HD3 ARG 1 3HD ARG 1 2.354 0.799 0.903 9 HE ARG 1 HE ARG 1 2.160 3.272 -0.540 10 HH11 ARG 1 1HH1 ARG 1 2.305 1.817 2.619 11 HH12 ARG 1 2HH1 ARG 1 2.941 3.235 3.386 12 HH21 ARG 1 1HH2 ARG 1 2.997 5.145 0.458 13 HH22 ARG 1 2HH2 ARG 1 3.333 5.127 2.156 14 H GLY 2 H GLY 2 2.355 -1.358 -3.980 15 HA2 GLY 2 2HA GLY 2 4.732 -1.277 -5.425 16 HA3 GLY 2 3HA GLY 2 4.420 -2.969 -5.062 17 H CYS 3 H CYS 3 4.472 -2.695 -7.580 18 HA CYS 3 HA CYS 3 1.704 -2.250 -8.490 19 HB2 CYS 3 2HB CYS 3 4.174 -2.143 -10.224 20 HB3 CYS 3 3HB CYS 3 2.543 -1.630 -10.644 21 H TYR 4 H TYR 4 0.690 -3.826 -9.644 22 HA TYR 4 HA TYR 4 2.191 -6.328 -10.064 23 HB2 TYR 4 2HB TYR 4 -0.046 -7.470 -9.722 24 HB3 TYR 4 3HB TYR 4 0.665 -6.740 -8.287 25 HD1 TYR 4 HD1 TYR 4 -0.249 -4.592 -7.417 26 HD2 TYR 4 HD2 TYR 4 -2.138 -6.726 -10.576 27 HE1 TYR 4 HE1 TYR 4 -2.313 -3.309 -7.041 28 HE2 TYR 4 HE2 TYR 4 -4.207 -5.448 -10.210 29 HH TYR 4 HH TYR 4 -4.709 -3.020 -9.154 30 H THR 5 H THR 5 1.424 -7.689 -11.813 31 HA THR 5 HA THR 5 0.701 -6.100 -14.128 32 HB THR 5 HB THR 5 1.440 -9.023 -13.893 33 HG1 THR 5 HG1 THR 5 3.424 -8.321 -14.115 34 HG21 THR 5 3HG2 THR 5 1.859 -8.469 -16.472 35 HG22 THR 5 1HG2 THR 5 0.517 -7.366 -16.173 36 HG23 THR 5 2HG2 THR 5 0.321 -9.093 -15.876 37 H ARG 6 H ARG 6 -1.242 -6.034 -15.067 38 HA ARG 6 HA ARG 6 -3.187 -8.149 -14.498 39 HB2 ARG 6 2HB ARG 6 -3.387 -5.304 -13.718 40 HB3 ARG 6 3HB ARG 6 -4.824 -5.995 -14.460 41 HG2 ARG 6 2HG ARG 6 -3.402 -7.146 -12.069 42 HG3 ARG 6 3HG ARG 6 -4.839 -6.124 -12.000 43 HD2 ARG 6 2HD ARG 6 -5.996 -7.818 -13.441 44 HD3 ARG 6 3HD ARG 6 -4.587 -8.858 -13.240 45 HE ARG 6 HE ARG 6 -6.642 -8.319 -11.296 46 HH11 ARG 6 1HH1 ARG 6 -3.364 -9.376 -11.803 47 HH12 ARG 6 2HH1 ARG 6 -3.278 -10.254 -10.312 48 HH21 ARG 6 1HH2 ARG 6 -6.542 -9.472 -9.330 49 HH22 ARG 6 2HH2 ARG 6 -5.087 -10.309 -8.906 50 H CYS 7 H CYS 7 -4.808 -8.400 -16.074 51 HA CYS 7 HA CYS 7 -4.294 -6.955 -18.591 52 HB2 CYS 7 2HB CYS 7 -5.382 -9.761 -18.428 53 HB3 CYS 7 3HB CYS 7 -4.714 -8.933 -19.830 54 H TRP 8 H TRP 8 -6.260 -7.239 -20.132 55 HA TRP 8 HA TRP 8 -8.835 -7.377 -18.858 56 HB2 TRP 8 2HB TRP 8 -9.517 -5.126 -19.102 57 HB3 TRP 8 3HB TRP 8 -7.926 -5.045 -18.351 58 HD1 TRP 8 HD1 TRP 8 -9.799 -4.067 -21.493 59 HE1 TRP 8 HE1 TRP 8 -8.269 -2.622 -22.975 60 HE3 TRP 8 HE3 TRP 8 -5.394 -4.706 -18.978 61 HZ2 TRP 8 HZ2 TRP 8 -5.553 -1.856 -23.067 62 HZ3 TRP 8 HZ3 TRP 8 -3.376 -3.584 -19.829 63 HH2 TRP 8 HH2 TRP 8 -3.457 -2.189 -21.832 64 H LYS 9 H LYS 9 -10.538 -7.533 -20.328 65 HA LYS 9 HA LYS 9 -9.922 -8.610 -22.845 66 HB2 LYS 9 2HB LYS 9 -12.320 -8.599 -23.254 67 HB3 LYS 9 3HB LYS 9 -11.989 -9.124 -21.608 68 HG2 LYS 9 2HG LYS 9 -12.360 -6.578 -21.070 69 HG3 LYS 9 3HG LYS 9 -13.267 -6.624 -22.584 70 HD2 LYS 9 2HD LYS 9 -13.750 -8.688 -20.470 71 HD3 LYS 9 3HD LYS 9 -14.495 -7.093 -20.343 72 HE2 LYS 9 2HE LYS 9 -16.122 -8.253 -21.478 73 HE3 LYS 9 3HE LYS 9 -15.208 -7.557 -22.815 74 HZ1 LYS 9 3HZ LYS 9 -15.675 -10.274 -22.224 75 HZ2 LYS 9 1HZ LYS 9 -14.009 -9.980 -22.195 76 HZ3 LYS 9 2HZ LYS 9 -14.910 -9.600 -23.574 77 H VAL 10 H VAL 10 -9.438 -7.678 -24.716 78 HA VAL 10 HA VAL 10 -10.006 -4.807 -25.039 79 HB VAL 10 HB VAL 10 -8.043 -6.288 -26.750 80 HG11 VAL 10 1HG1 VAL 10 -7.993 -4.226 -27.617 81 HG12 VAL 10 2HG1 VAL 10 -8.803 -3.520 -26.217 82 HG13 VAL 10 3HG1 VAL 10 -7.060 -3.792 -26.185 83 HG21 VAL 10 3HG2 VAL 10 -7.764 -5.625 -23.881 84 HG22 VAL 10 1HG2 VAL 10 -6.983 -6.884 -24.838 85 HG23 VAL 10 2HG2 VAL 10 -6.399 -5.222 -24.922 86 H GLY 11 H GLY 11 -10.385 -4.091 -27.311 87 HA2 GLY 11 2HA GLY 11 -12.599 -5.425 -28.415 88 HA3 GLY 11 3HA GLY 11 -11.694 -4.137 -29.196 89 H ARG 12 H ARG 12 -11.964 -5.178 -31.217 90 HA ARG 12 HA ARG 12 -11.073 -7.834 -31.694 91 HB2 ARG 12 2HB ARG 12 -11.188 -7.140 -34.112 92 HB3 ARG 12 3HB ARG 12 -12.675 -6.914 -33.200 93 HG2 ARG 12 2HG ARG 12 -11.169 -4.523 -33.002 94 HG3 ARG 12 3HG ARG 12 -11.202 -5.011 -34.697 95 HD2 ARG 12 2HD ARG 12 -13.654 -4.855 -32.954 96 HD3 ARG 12 3HD ARG 12 -13.093 -3.526 -33.969 97 HE ARG 12 HE ARG 12 -13.402 -5.949 -35.444 98 HH11 ARG 12 1HH1 ARG 12 -15.129 -3.242 -34.099 99 HH12 ARG 12 2HH1 ARG 12 -16.430 -3.338 -35.239 100 HH21 ARG 12 1HH2 ARG 12 -15.109 -6.086 -36.951 101 HH22 ARG 12 2HH2 ARG 12 -16.418 -4.957 -36.860 102 H ASN 13 H ASN 13 -8.982 -7.715 -30.620 103 HA ASN 13 HA ASN 13 -6.852 -7.472 -32.440 104 HB2 ASN 13 2HB ASN 13 -7.451 -5.008 -31.802 105 HB3 ASN 13 3HB ASN 13 -6.618 -5.385 -30.297 106 HD21 ASN 13 1HD2 ASN 13 -4.975 -3.927 -30.712 107 HD22 ASN 13 2HD2 ASN 13 -3.762 -4.215 -31.907 108 H GLY 14 H GLY 14 -7.937 -9.288 -30.457 109 HA2 GLY 14 2HA GLY 14 -7.076 -10.857 -29.011 110 HA3 GLY 14 3HA GLY 14 -5.492 -10.146 -29.281 111 H ARG 15 H ARG 15 -5.532 -10.861 -26.885 112 HA ARG 15 HA ARG 15 -6.834 -8.954 -25.124 113 HB2 ARG 15 2HB ARG 15 -5.435 -11.545 -24.810 114 HB3 ARG 15 3HB ARG 15 -5.297 -10.423 -23.463 115 HG2 ARG 15 2HG ARG 15 -7.793 -10.257 -23.457 116 HG3 ARG 15 3HG ARG 15 -7.815 -11.562 -24.645 117 HD2 ARG 15 2HD ARG 15 -6.212 -12.017 -22.203 118 HD3 ARG 15 3HD ARG 15 -7.963 -11.971 -21.998 119 HE ARG 15 HE ARG 15 -7.307 -13.647 -24.165 120 HH11 ARG 15 1HH1 ARG 15 -7.142 -13.524 -20.690 121 HH12 ARG 15 2HH1 ARG 15 -7.223 -15.244 -20.495 122 HH21 ARG 15 1HH2 ARG 15 -7.413 -15.912 -23.922 123 HH22 ARG 15 2HH2 ARG 15 -7.376 -16.601 -22.334 124 H VAL 16 H VAL 16 -5.417 -8.112 -23.255 125 HA VAL 16 HA VAL 16 -2.701 -7.438 -24.049 126 HB VAL 16 HB VAL 16 -4.845 -5.349 -23.672 127 HG11 VAL 16 1HG1 VAL 16 -2.950 -4.639 -22.381 128 HG12 VAL 16 2HG1 VAL 16 -1.848 -5.025 -23.705 129 HG13 VAL 16 3HG1 VAL 16 -2.998 -3.697 -23.871 130 HG21 VAL 16 3HG2 VAL 16 -3.969 -4.552 -25.868 131 HG22 VAL 16 1HG2 VAL 16 -2.960 -5.998 -25.933 132 HG23 VAL 16 2HG2 VAL 16 -4.717 -6.148 -25.929 133 H CYS 17 H CYS 17 -1.378 -6.879 -22.340 134 HA CYS 17 HA CYS 17 -2.621 -6.866 -19.670 135 HB2 CYS 17 2HB CYS 17 -0.070 -8.276 -20.483 136 HB3 CYS 17 3HB CYS 17 -0.675 -8.148 -18.834 137 H MET 18 H MET 18 -1.915 -5.341 -18.281 138 HA MET 18 HA MET 18 0.501 -3.825 -18.980 139 HB2 MET 18 2HB MET 18 -0.562 -1.729 -18.673 140 HB3 MET 18 3HB MET 18 -1.618 -2.656 -19.731 141 HG2 MET 18 2HG MET 18 -3.027 -3.215 -17.794 142 HG3 MET 18 3HG MET 18 -1.990 -2.215 -16.779 143 HE1 MET 18 3HE MET 18 -3.602 -0.311 -15.918 144 HE2 MET 18 1HE MET 18 -2.044 0.206 -16.563 145 HE3 MET 18 2HE MET 18 -3.504 1.116 -16.950 146 H ARG 19 H ARG 19 1.606 -2.893 -17.236 147 HA ARG 19 HA ARG 19 1.232 -4.268 -14.734 148 HB2 ARG 19 2HB ARG 19 3.487 -3.959 -15.471 149 HB3 ARG 19 3HB ARG 19 3.246 -2.230 -15.678 150 HG2 ARG 19 2HG ARG 19 3.373 -1.801 -13.423 151 HG3 ARG 19 3HG ARG 19 2.894 -3.440 -12.978 152 HD2 ARG 19 2HD ARG 19 5.463 -2.994 -14.433 153 HD3 ARG 19 3HD ARG 19 5.375 -2.665 -12.703 154 HE ARG 19 HE ARG 19 4.318 -5.163 -12.968 155 HH11 ARG 19 1HH1 ARG 19 7.318 -3.659 -13.894 156 HH12 ARG 19 2HH1 ARG 19 8.242 -5.118 -13.759 157 HH21 ARG 19 1HH2 ARG 19 5.524 -7.091 -12.787 158 HH22 ARG 19 2HH2 ARG 19 7.221 -7.070 -13.130 159 H VAL 20 H VAL 20 -0.710 -3.504 -13.894 160 HA VAL 20 HA VAL 20 -1.150 -0.678 -13.520 161 HB VAL 20 HB VAL 20 -3.013 -2.286 -13.936 162 HG11 VAL 20 1HG1 VAL 20 -3.776 -3.770 -12.253 163 HG12 VAL 20 2HG1 VAL 20 -2.045 -4.062 -12.429 164 HG13 VAL 20 3HG1 VAL 20 -2.648 -3.116 -11.067 165 HG21 VAL 20 3HG2 VAL 20 -3.058 -0.009 -12.559 166 HG22 VAL 20 1HG2 VAL 20 -4.501 -0.994 -12.799 167 HG23 VAL 20 2HG2 VAL 20 -3.604 -1.098 -11.284 168 H CYS 21 H CYS 21 -1.330 0.389 -11.509 169 HA CYS 21 HA CYS 21 0.027 -0.953 -9.265 170 HB2 CYS 21 2HB CYS 21 1.246 0.966 -10.677 171 HB3 CYS 21 3HB CYS 21 0.334 1.990 -9.572 172 H THR 22 H THR 22 -0.901 -0.747 -7.306 173 HA THR 22 HA THR 22 -2.456 -0.263 -5.715 174 HB THR 22 HB THR 22 -3.279 2.334 -6.820 175 HG1 THR 22 HG1 THR 22 -0.545 1.751 -6.279 176 HG21 THR 22 3HG2 THR 22 -2.371 2.995 -4.497 177 HG22 THR 22 1HG2 THR 22 -2.239 1.259 -4.218 178 HG23 THR 22 2HG2 THR 22 -3.810 1.978 -4.573 Start of MODEL 4 1 H1 ARG 1 H ARG 1 3.245 -4.934 -0.877 2 HA ARG 1 HA ARG 1 2.684 -2.191 -1.560 3 HB2 ARG 1 2HB ARG 1 4.964 -1.392 -1.492 4 HB3 ARG 1 3HB ARG 1 4.509 -1.971 0.105 5 HG2 ARG 1 2HG ARG 1 5.655 -4.137 -0.479 6 HG3 ARG 1 3HG ARG 1 6.290 -3.314 -1.906 7 HD2 ARG 1 2HD ARG 1 6.629 -2.049 0.772 8 HD3 ARG 1 3HD ARG 1 7.668 -3.403 0.328 9 HE ARG 1 HE ARG 1 7.667 -1.530 -1.762 10 HH11 ARG 1 1HH1 ARG 1 8.788 -1.884 1.515 11 HH12 ARG 1 2HH1 ARG 1 10.135 -0.814 1.309 12 HH21 ARG 1 1HH2 ARG 1 9.437 -0.119 -2.046 13 HH22 ARG 1 2HH2 ARG 1 10.502 0.190 -0.718 14 H GLY 2 H GLY 2 4.025 -1.562 -3.571 15 HA2 GLY 2 2HA GLY 2 5.178 -2.307 -5.541 16 HA3 GLY 2 3HA GLY 2 4.588 -3.932 -5.223 17 H CYS 3 H CYS 3 4.187 -3.407 -7.669 18 HA CYS 3 HA CYS 3 1.538 -2.168 -7.975 19 HB2 CYS 3 2HB CYS 3 3.456 -2.916 -10.184 20 HB3 CYS 3 3HB CYS 3 2.046 -1.868 -10.294 21 H TYR 4 H TYR 4 -0.172 -3.290 -8.795 22 HA TYR 4 HA TYR 4 0.126 -6.193 -8.879 23 HB2 TYR 4 2HB TYR 4 -2.344 -4.448 -8.836 24 HB3 TYR 4 3HB TYR 4 -2.358 -6.208 -8.831 25 HD1 TYR 4 HD1 TYR 4 -1.137 -7.378 -6.881 26 HD2 TYR 4 HD2 TYR 4 -2.261 -3.275 -6.824 27 HE1 TYR 4 HE1 TYR 4 -0.985 -7.377 -4.426 28 HE2 TYR 4 HE2 TYR 4 -2.112 -3.262 -4.369 29 HH TYR 4 HH TYR 4 -2.311 -5.543 -2.503 30 H THR 5 H THR 5 -0.921 -7.441 -10.564 31 HA THR 5 HA THR 5 -0.577 -6.173 -13.173 32 HB THR 5 HB THR 5 -0.903 -9.084 -12.424 33 HG1 THR 5 HG1 THR 5 1.135 -8.241 -11.883 34 HG21 THR 5 3HG2 THR 5 -1.743 -9.056 -14.576 35 HG22 THR 5 1HG2 THR 5 -0.022 -9.294 -14.879 36 HG23 THR 5 2HG2 THR 5 -0.737 -7.692 -15.064 37 H ARG 6 H ARG 6 -2.160 -6.088 -14.737 38 HA ARG 6 HA ARG 6 -4.835 -7.057 -14.026 39 HB2 ARG 6 2HB ARG 6 -3.992 -4.281 -14.223 40 HB3 ARG 6 3HB ARG 6 -5.304 -4.647 -15.336 41 HG2 ARG 6 2HG ARG 6 -5.570 -5.585 -12.536 42 HG3 ARG 6 3HG ARG 6 -5.741 -3.857 -12.852 43 HD2 ARG 6 2HD ARG 6 -7.311 -4.748 -14.792 44 HD3 ARG 6 3HD ARG 6 -7.452 -6.132 -13.708 45 HE ARG 6 HE ARG 6 -7.873 -3.637 -12.373 46 HH11 ARG 6 1HH1 ARG 6 -9.379 -6.078 -14.346 47 HH12 ARG 6 2HH1 ARG 6 -10.981 -5.726 -13.788 48 HH21 ARG 6 1HH2 ARG 6 -9.978 -3.164 -11.631 49 HH22 ARG 6 2HH2 ARG 6 -11.321 -4.068 -12.244 50 H CYS 7 H CYS 7 -6.322 -7.099 -15.887 51 HA CYS 7 HA CYS 7 -5.217 -6.882 -18.535 52 HB2 CYS 7 2HB CYS 7 -4.798 -9.297 -17.241 53 HB3 CYS 7 3HB CYS 7 -6.238 -9.596 -18.209 54 H TRP 8 H TRP 8 -6.819 -7.365 -20.209 55 HA TRP 8 HA TRP 8 -9.549 -7.822 -19.462 56 HB2 TRP 8 2HB TRP 8 -10.470 -5.687 -19.992 57 HB3 TRP 8 3HB TRP 8 -9.153 -5.398 -18.858 58 HD1 TRP 8 HD1 TRP 8 -10.294 -4.599 -22.365 59 HE1 TRP 8 HE1 TRP 8 -8.619 -2.980 -23.460 60 HE3 TRP 8 HE3 TRP 8 -6.562 -4.808 -18.876 61 HZ2 TRP 8 HZ2 TRP 8 -6.056 -1.930 -22.917 62 HZ3 TRP 8 HZ3 TRP 8 -4.532 -3.466 -19.239 63 HH2 TRP 8 HH2 TRP 8 -4.286 -2.058 -21.219 64 H LYS 9 H LYS 9 -10.919 -8.141 -21.256 65 HA LYS 9 HA LYS 9 -9.581 -9.075 -23.596 66 HB2 LYS 9 2HB LYS 9 -11.745 -9.761 -24.363 67 HB3 LYS 9 3HB LYS 9 -11.661 -10.088 -22.637 68 HG2 LYS 9 2HG LYS 9 -12.815 -7.813 -22.354 69 HG3 LYS 9 3HG LYS 9 -13.194 -7.954 -24.072 70 HD2 LYS 9 2HD LYS 9 -14.589 -9.761 -23.753 71 HD3 LYS 9 3HD LYS 9 -13.795 -10.242 -22.251 72 HE2 LYS 9 2HE LYS 9 -15.250 -9.072 -21.042 73 HE3 LYS 9 3HE LYS 9 -14.933 -7.616 -21.984 74 HZ1 LYS 9 3HZ LYS 9 -16.649 -9.689 -23.147 75 HZ2 LYS 9 1HZ LYS 9 -16.689 -8.011 -23.362 76 HZ3 LYS 9 2HZ LYS 9 -17.295 -8.696 -21.939 77 H VAL 10 H VAL 10 -9.198 -8.072 -25.470 78 HA VAL 10 HA VAL 10 -10.377 -5.399 -25.864 79 HB VAL 10 HB VAL 10 -7.885 -6.284 -27.269 80 HG11 VAL 10 1HG1 VAL 10 -7.599 -3.666 -26.625 81 HG12 VAL 10 2HG1 VAL 10 -8.317 -4.250 -28.127 82 HG13 VAL 10 3HG1 VAL 10 -9.352 -3.787 -26.776 83 HG21 VAL 10 3HG2 VAL 10 -6.602 -5.199 -25.389 84 HG22 VAL 10 1HG2 VAL 10 -8.082 -5.295 -24.433 85 HG23 VAL 10 2HG2 VAL 10 -7.312 -6.770 -25.017 86 H GLY 11 H GLY 11 -10.572 -4.739 -28.186 87 HA2 GLY 11 2HA GLY 11 -12.211 -6.550 -29.582 88 HA3 GLY 11 3HA GLY 11 -11.549 -5.060 -30.237 89 H ARG 12 H ARG 12 -11.173 -5.986 -32.263 90 HA ARG 12 HA ARG 12 -9.669 -8.373 -32.612 91 HB2 ARG 12 2HB ARG 12 -10.504 -6.142 -34.446 92 HB3 ARG 12 3HB ARG 12 -9.432 -7.420 -35.004 93 HG2 ARG 12 2HG ARG 12 -11.208 -9.053 -34.226 94 HG3 ARG 12 3HG ARG 12 -12.273 -7.655 -34.066 95 HD2 ARG 12 2HD ARG 12 -12.445 -7.358 -36.310 96 HD3 ARG 12 3HD ARG 12 -10.806 -7.929 -36.620 97 HE ARG 12 HE ARG 12 -12.198 -10.148 -35.813 98 HH11 ARG 12 1HH1 ARG 12 -12.518 -7.787 -38.351 99 HH12 ARG 12 2HH1 ARG 12 -13.269 -8.888 -39.458 100 HH21 ARG 12 1HH2 ARG 12 -13.187 -11.607 -37.261 101 HH22 ARG 12 2HH2 ARG 12 -13.650 -11.060 -38.837 102 H ASN 13 H ASN 13 -7.889 -7.849 -31.143 103 HA ASN 13 HA ASN 13 -5.561 -7.100 -32.531 104 HB2 ASN 13 2HB ASN 13 -6.776 -4.841 -32.027 105 HB3 ASN 13 3HB ASN 13 -6.178 -5.090 -30.390 106 HD21 ASN 13 1HD2 ASN 13 -4.172 -4.489 -29.931 107 HD22 ASN 13 2HD2 ASN 13 -2.980 -4.015 -31.088 108 H GLY 14 H GLY 14 -6.587 -9.172 -30.777 109 HA2 GLY 14 2HA GLY 14 -5.752 -10.559 -29.147 110 HA3 GLY 14 3HA GLY 14 -4.277 -9.605 -29.203 111 H ARG 15 H ARG 15 -4.570 -10.328 -26.820 112 HA ARG 15 HA ARG 15 -6.318 -8.499 -25.351 113 HB2 ARG 15 2HB ARG 15 -4.746 -10.940 -24.538 114 HB3 ARG 15 3HB ARG 15 -5.504 -9.875 -23.361 115 HG2 ARG 15 2HG ARG 15 -7.606 -10.326 -24.957 116 HG3 ARG 15 3HG ARG 15 -6.713 -11.827 -25.211 117 HD2 ARG 15 2HD ARG 15 -7.448 -10.699 -22.513 118 HD3 ARG 15 3HD ARG 15 -8.361 -11.948 -23.359 119 HE ARG 15 HE ARG 15 -5.859 -12.972 -23.253 120 HH11 ARG 15 1HH1 ARG 15 -8.009 -11.648 -20.856 121 HH12 ARG 15 2HH1 ARG 15 -7.396 -12.637 -19.572 122 HH21 ARG 15 1HH2 ARG 15 -5.044 -14.279 -21.571 123 HH22 ARG 15 2HH2 ARG 15 -5.709 -14.133 -19.980 124 H VAL 16 H VAL 16 -5.308 -7.659 -23.232 125 HA VAL 16 HA VAL 16 -2.488 -7.003 -23.427 126 HB VAL 16 HB VAL 16 -4.643 -4.912 -23.661 127 HG11 VAL 16 1HG1 VAL 16 -2.782 -3.253 -23.390 128 HG12 VAL 16 2HG1 VAL 16 -3.231 -4.114 -21.916 129 HG13 VAL 16 3HG1 VAL 16 -1.776 -4.576 -22.801 130 HG21 VAL 16 3HG2 VAL 16 -3.139 -4.138 -25.519 131 HG22 VAL 16 1HG2 VAL 16 -2.208 -5.618 -25.286 132 HG23 VAL 16 2HG2 VAL 16 -3.899 -5.708 -25.778 133 H CYS 17 H CYS 17 -1.571 -6.541 -21.473 134 HA CYS 17 HA CYS 17 -3.387 -6.518 -19.151 135 HB2 CYS 17 2HB CYS 17 -0.639 -7.732 -19.461 136 HB3 CYS 17 3HB CYS 17 -1.430 -7.524 -17.902 137 H MET 18 H MET 18 -3.305 -4.800 -17.858 138 HA MET 18 HA MET 18 -1.175 -2.836 -18.296 139 HB2 MET 18 2HB MET 18 -2.682 -1.271 -17.096 140 HB3 MET 18 3HB MET 18 -3.414 -1.961 -18.539 141 HG2 MET 18 2HG MET 18 -4.653 -3.545 -17.160 142 HG3 MET 18 3HG MET 18 -3.912 -2.866 -15.713 143 HE1 MET 18 3HE MET 18 -5.896 -0.238 -14.578 144 HE2 MET 18 1HE MET 18 -6.655 -1.830 -14.546 145 HE3 MET 18 2HE MET 18 -4.909 -1.682 -14.349 146 H ARG 19 H ARG 19 0.033 -1.972 -16.607 147 HA ARG 19 HA ARG 19 0.119 -3.655 -14.202 148 HB2 ARG 19 2HB ARG 19 2.401 -2.606 -13.902 149 HB3 ARG 19 3HB ARG 19 2.220 -3.647 -15.308 150 HG2 ARG 19 2HG ARG 19 2.625 -1.981 -16.740 151 HG3 ARG 19 3HG ARG 19 1.630 -0.836 -15.839 152 HD2 ARG 19 2HD ARG 19 3.383 -0.263 -14.404 153 HD3 ARG 19 3HD ARG 19 4.312 -1.702 -14.820 154 HE ARG 19 HE ARG 19 4.120 -0.303 -17.159 155 HH11 ARG 19 1HH1 ARG 19 5.288 0.387 -13.952 156 HH12 ARG 19 2HH1 ARG 19 6.483 1.520 -14.490 157 HH21 ARG 19 1HH2 ARG 19 5.690 1.187 -17.879 158 HH22 ARG 19 2HH2 ARG 19 6.710 1.975 -16.724 159 H VAL 20 H VAL 20 -1.519 -2.658 -13.015 160 HA VAL 20 HA VAL 20 -1.445 0.186 -12.515 161 HB VAL 20 HB VAL 20 -3.584 -1.099 -12.649 162 HG11 VAL 20 1HG1 VAL 20 -2.700 -3.076 -11.377 163 HG12 VAL 20 2HG1 VAL 20 -2.867 -2.115 -9.906 164 HG13 VAL 20 3HG1 VAL 20 -4.291 -2.510 -10.869 165 HG21 VAL 20 3HG2 VAL 20 -3.159 1.114 -11.364 166 HG22 VAL 20 1HG2 VAL 20 -4.677 0.251 -11.116 167 HG23 VAL 20 2HG2 VAL 20 -3.384 0.122 -9.924 168 H CYS 21 H CYS 21 -0.935 1.200 -10.590 169 HA CYS 21 HA CYS 21 0.363 -0.463 -8.537 170 HB2 CYS 21 2HB CYS 21 1.776 1.119 -10.218 171 HB3 CYS 21 3HB CYS 21 1.424 2.270 -8.934 172 H THR 22 H THR 22 0.498 0.571 -6.409 173 HA THR 22 HA THR 22 -1.991 1.897 -5.778 174 HB THR 22 HB THR 22 -0.726 1.830 -3.400 175 HG1 THR 22 HG1 THR 22 0.720 0.185 -3.311 176 HG21 THR 22 3HG2 THR 22 -2.886 0.728 -4.162 177 HG22 THR 22 1HG2 THR 22 -1.975 -0.119 -2.913 178 HG23 THR 22 2HG2 THR 22 -1.905 -0.674 -4.586 Start of MODEL 5 1 H1 ARG 1 H ARG 1 -8.071 0.348 -11.577 2 HA ARG 1 HA ARG 1 -5.359 -0.165 -12.381 3 HB2 ARG 1 2HB ARG 1 -6.242 2.552 -11.995 4 HB3 ARG 1 3HB ARG 1 -5.040 2.129 -10.784 5 HG2 ARG 1 2HG ARG 1 -3.404 1.684 -12.396 6 HG3 ARG 1 3HG ARG 1 -4.591 1.597 -13.699 7 HD2 ARG 1 2HD ARG 1 -5.039 4.101 -12.886 8 HD3 ARG 1 3HD ARG 1 -3.350 3.953 -12.405 9 HE ARG 1 HE ARG 1 -4.387 4.099 -15.086 10 HH11 ARG 1 1HH1 ARG 1 -1.723 3.096 -13.082 11 HH12 ARG 1 2HH1 ARG 1 -0.563 3.158 -14.367 12 HH21 ARG 1 1HH2 ARG 1 -2.869 4.185 -16.786 13 HH22 ARG 1 2HH2 ARG 1 -1.215 3.779 -16.474 14 H GLY 2 H GLY 2 -3.922 -0.475 -10.538 15 HA2 GLY 2 2HA GLY 2 -4.535 -0.279 -7.870 16 HA3 GLY 2 3HA GLY 2 -5.279 -1.785 -8.384 17 H CYS 3 H CYS 3 -3.598 -2.312 -6.564 18 HA CYS 3 HA CYS 3 -0.874 -2.545 -7.493 19 HB2 CYS 3 2HB CYS 3 -1.966 -2.338 -5.015 20 HB3 CYS 3 3HB CYS 3 -1.708 -4.077 -5.108 21 H TYR 4 H TYR 4 0.139 -4.846 -6.939 22 HA TYR 4 HA TYR 4 0.401 -7.009 -7.592 23 HB2 TYR 4 2HB TYR 4 -2.619 -7.136 -7.638 24 HB3 TYR 4 3HB TYR 4 -1.504 -8.493 -7.516 25 HD1 TYR 4 HD2 TYR 4 0.403 -7.446 -5.493 26 HD2 TYR 4 HD1 TYR 4 -3.845 -7.254 -5.651 27 HE1 TYR 4 HE2 TYR 4 0.324 -7.292 -3.039 28 HE2 TYR 4 HE1 TYR 4 -3.935 -7.099 -3.198 29 HH TYR 4 HH TYR 4 -1.178 -7.661 -1.219 30 H THR 5 H THR 5 0.203 -8.450 -9.442 31 HA THR 5 HA THR 5 0.062 -6.977 -11.895 32 HB THR 5 HB THR 5 0.492 -9.929 -11.398 33 HG1 THR 5 HG1 THR 5 2.653 -9.410 -11.664 34 HG21 THR 5 3HG2 THR 5 1.599 -9.239 -13.853 35 HG22 THR 5 1HG2 THR 5 0.023 -8.448 -13.846 36 HG23 THR 5 2HG2 THR 5 0.137 -10.189 -13.589 37 H ARG 6 H ARG 6 -1.644 -6.711 -13.172 38 HA ARG 6 HA ARG 6 -3.783 -8.716 -13.147 39 HB2 ARG 6 2HB ARG 6 -4.080 -5.762 -12.659 40 HB3 ARG 6 3HB ARG 6 -5.406 -6.718 -13.305 41 HG2 ARG 6 2HG ARG 6 -4.684 -8.219 -11.169 42 HG3 ARG 6 3HG ARG 6 -4.316 -6.594 -10.588 43 HD2 ARG 6 2HD ARG 6 -6.924 -7.110 -11.942 44 HD3 ARG 6 3HD ARG 6 -6.705 -7.622 -10.269 45 HE ARG 6 HE ARG 6 -5.919 -4.909 -10.679 46 HH11 ARG 6 1HH1 ARG 6 -8.661 -6.996 -10.186 47 HH12 ARG 6 2HH1 ARG 6 -9.649 -5.751 -9.494 48 HH21 ARG 6 1HH2 ARG 6 -7.209 -3.262 -9.769 49 HH22 ARG 6 2HH2 ARG 6 -8.822 -3.628 -9.258 50 H CYS 7 H CYS 7 -4.844 -8.994 -15.086 51 HA CYS 7 HA CYS 7 -4.084 -7.260 -17.324 52 HB2 CYS 7 2HB CYS 7 -4.066 -10.263 -17.592 53 HB3 CYS 7 3HB CYS 7 -3.450 -9.067 -18.727 54 H TRP 8 H TRP 8 -5.678 -6.908 -18.784 55 HA TRP 8 HA TRP 8 -8.038 -8.619 -18.789 56 HB2 TRP 8 2HB TRP 8 -9.525 -6.585 -18.629 57 HB3 TRP 8 3HB TRP 8 -8.691 -7.020 -17.140 58 HD1 TRP 8 HD1 TRP 8 -9.128 -4.196 -19.568 59 HE1 TRP 8 HE1 TRP 8 -7.706 -2.183 -18.825 60 HE3 TRP 8 HE3 TRP 8 -6.329 -6.472 -15.945 61 HZ2 TRP 8 HZ2 TRP 8 -5.667 -1.633 -16.952 62 HZ3 TRP 8 HZ3 TRP 8 -4.664 -5.132 -14.725 63 HH2 TRP 8 HH2 TRP 8 -4.341 -2.764 -15.220 64 H LYS 9 H LYS 9 -9.174 -8.596 -20.709 65 HA LYS 9 HA LYS 9 -7.744 -7.569 -22.987 66 HB2 LYS 9 2HB LYS 9 -8.854 -9.799 -22.975 67 HB3 LYS 9 3HB LYS 9 -10.413 -8.988 -22.890 68 HG2 LYS 9 2HG LYS 9 -8.857 -7.954 -25.077 69 HG3 LYS 9 3HG LYS 9 -8.997 -9.710 -25.180 70 HD2 LYS 9 2HD LYS 9 -11.530 -9.141 -24.586 71 HD3 LYS 9 3HD LYS 9 -11.092 -7.616 -25.359 72 HE2 LYS 9 2HE LYS 9 -11.098 -8.539 -27.392 73 HE3 LYS 9 3HE LYS 9 -10.147 -9.921 -26.851 74 HZ1 LYS 9 3HZ LYS 9 -12.220 -10.869 -25.936 75 HZ2 LYS 9 1HZ LYS 9 -12.264 -10.683 -27.617 76 HZ3 LYS 9 2HZ LYS 9 -13.088 -9.590 -26.624 77 H VAL 10 H VAL 10 -8.095 -5.709 -24.005 78 HA VAL 10 HA VAL 10 -10.664 -4.331 -23.570 79 HB VAL 10 HB VAL 10 -8.070 -2.858 -23.960 80 HG11 VAL 10 1HG1 VAL 10 -9.494 -1.131 -22.658 81 HG12 VAL 10 2HG1 VAL 10 -9.833 -1.408 -24.367 82 HG13 VAL 10 3HG1 VAL 10 -10.856 -2.145 -23.133 83 HG21 VAL 10 3HG2 VAL 10 -7.433 -3.626 -21.951 84 HG22 VAL 10 1HG2 VAL 10 -8.657 -2.527 -21.315 85 HG23 VAL 10 2HG2 VAL 10 -9.045 -4.229 -21.564 86 H GLY 11 H GLY 11 -11.300 -2.852 -25.276 87 HA2 GLY 11 2HA GLY 11 -11.788 -2.475 -27.491 88 HA3 GLY 11 3HA GLY 11 -10.043 -2.457 -27.699 89 H ARG 12 H ARG 12 -10.467 -3.341 -29.822 90 HA ARG 12 HA ARG 12 -10.861 -6.257 -29.718 91 HB2 ARG 12 2HB ARG 12 -11.760 -4.465 -31.979 92 HB3 ARG 12 3HB ARG 12 -12.030 -6.197 -31.830 93 HG2 ARG 12 2HG ARG 12 -13.292 -5.583 -29.665 94 HG3 ARG 12 3HG ARG 12 -13.323 -3.953 -30.339 95 HD2 ARG 12 2HD ARG 12 -14.075 -5.843 -32.354 96 HD3 ARG 12 3HD ARG 12 -15.051 -6.103 -30.909 97 HE ARG 12 HE ARG 12 -15.186 -3.876 -32.702 98 HH11 ARG 12 1HH1 ARG 12 -15.701 -4.900 -29.415 99 HH12 ARG 12 2HH1 ARG 12 -16.873 -3.669 -29.078 100 HH21 ARG 12 1HH2 ARG 12 -16.727 -2.251 -32.270 101 HH22 ARG 12 2HH2 ARG 12 -17.456 -2.163 -30.703 102 H ASN 13 H ASN 13 -8.367 -5.386 -29.459 103 HA ASN 13 HA ASN 13 -7.080 -6.382 -31.811 104 HB2 ASN 13 2HB ASN 13 -7.580 -3.772 -32.066 105 HB3 ASN 13 3HB ASN 13 -6.100 -3.656 -31.119 106 HD21 ASN 13 1HD2 ASN 13 -4.401 -3.342 -32.341 107 HD22 ASN 13 2HD2 ASN 13 -4.121 -4.026 -33.902 108 H GLY 14 H GLY 14 -7.034 -7.462 -29.368 109 HA2 GLY 14 2HA GLY 14 -4.956 -8.424 -28.452 110 HA3 GLY 14 3HA GLY 14 -4.340 -6.781 -28.359 111 H ARG 15 H ARG 15 -3.978 -7.740 -26.094 112 HA ARG 15 HA ARG 15 -6.293 -6.995 -24.436 113 HB2 ARG 15 2HB ARG 15 -4.353 -9.261 -23.944 114 HB3 ARG 15 3HB ARG 15 -5.568 -8.716 -22.796 115 HG2 ARG 15 2HG ARG 15 -7.022 -10.103 -23.715 116 HG3 ARG 15 3HG ARG 15 -6.904 -9.202 -25.228 117 HD2 ARG 15 2HD ARG 15 -6.394 -11.443 -25.765 118 HD3 ARG 15 3HD ARG 15 -4.853 -10.587 -25.742 119 HE ARG 15 HE ARG 15 -5.491 -11.812 -23.232 120 HH11 ARG 15 1HH1 ARG 15 -4.131 -12.351 -26.391 121 HH12 ARG 15 2HH1 ARG 15 -3.154 -13.690 -25.885 122 HH21 ARG 15 1HH2 ARG 15 -4.210 -13.573 -22.554 123 HH22 ARG 15 2HH2 ARG 15 -3.201 -14.385 -23.702 124 H VAL 16 H VAL 16 -5.450 -6.742 -22.038 125 HA VAL 16 HA VAL 16 -2.991 -5.116 -22.144 126 HB VAL 16 HB VAL 16 -5.564 -4.595 -20.666 127 HG11 VAL 16 1HG1 VAL 16 -3.965 -4.173 -19.005 128 HG12 VAL 16 2HG1 VAL 16 -2.819 -3.487 -20.159 129 HG13 VAL 16 3HG1 VAL 16 -4.280 -2.596 -19.729 130 HG21 VAL 16 3HG2 VAL 16 -5.554 -3.710 -22.885 131 HG22 VAL 16 1HG2 VAL 16 -5.301 -2.365 -21.773 132 HG23 VAL 16 2HG2 VAL 16 -3.939 -3.036 -22.669 133 H CYS 17 H CYS 17 -1.549 -5.283 -20.465 134 HA CYS 17 HA CYS 17 -2.206 -6.990 -18.192 135 HB2 CYS 17 2HB CYS 17 -1.124 -8.289 -20.199 136 HB3 CYS 17 3HB CYS 17 0.364 -7.534 -19.635 137 H MET 18 H MET 18 -1.831 -5.591 -16.588 138 HA MET 18 HA MET 18 0.377 -3.716 -16.728 139 HB2 MET 18 2HB MET 18 -1.866 -4.167 -14.775 140 HB3 MET 18 3HB MET 18 -0.530 -3.087 -14.399 141 HG2 MET 18 2HG MET 18 -2.303 -2.824 -16.815 142 HG3 MET 18 3HG MET 18 -2.532 -1.947 -15.303 143 HE1 MET 18 3HE MET 18 -0.714 -0.243 -18.727 144 HE2 MET 18 1HE MET 18 -0.231 -1.940 -18.720 145 HE3 MET 18 2HE MET 18 -1.926 -1.505 -18.497 146 H ARG 19 H ARG 19 2.113 -3.634 -15.285 147 HA ARG 19 HA ARG 19 3.077 -6.184 -14.421 148 HB2 ARG 19 2HB ARG 19 4.134 -3.381 -14.341 149 HB3 ARG 19 3HB ARG 19 4.930 -4.643 -13.410 150 HG2 ARG 19 2HG ARG 19 4.881 -5.923 -15.699 151 HG3 ARG 19 3HG ARG 19 4.739 -4.292 -16.356 152 HD2 ARG 19 2HD ARG 19 7.046 -4.753 -16.313 153 HD3 ARG 19 3HD ARG 19 6.750 -3.699 -14.930 154 HE ARG 19 HE ARG 19 6.552 -6.312 -14.019 155 HH11 ARG 19 1HH1 ARG 19 8.970 -4.231 -15.412 156 HH12 ARG 19 2HH1 ARG 19 10.292 -5.013 -14.611 157 HH21 ARG 19 1HH2 ARG 19 8.284 -7.351 -12.959 158 HH22 ARG 19 2HH2 ARG 19 9.901 -6.788 -13.217 159 H VAL 20 H VAL 20 3.854 -6.626 -12.229 160 HA VAL 20 HA VAL 20 1.891 -6.516 -10.306 161 HB VAL 20 HB VAL 20 3.681 -8.069 -10.038 162 HG11 VAL 20 1HG1 VAL 20 5.322 -5.781 -10.607 163 HG12 VAL 20 2HG1 VAL 20 5.876 -6.580 -9.134 164 HG13 VAL 20 3HG1 VAL 20 5.742 -7.493 -10.638 165 HG21 VAL 20 3HG2 VAL 20 4.241 -7.783 -7.719 166 HG22 VAL 20 1HG2 VAL 20 3.940 -6.048 -7.816 167 HG23 VAL 20 2HG2 VAL 20 2.602 -7.186 -7.978 168 H CYS 21 H CYS 21 0.949 -4.656 -9.695 169 HA CYS 21 HA CYS 21 0.649 -2.607 -8.754 170 HB2 CYS 21 2HB CYS 21 2.265 -3.927 -7.068 171 HB3 CYS 21 3HB CYS 21 3.343 -2.604 -7.501 172 H THR 22 H THR 22 1.662 -0.356 -8.525 173 HA THR 22 HA THR 22 3.456 0.142 -10.811 174 HB THR 22 HB THR 22 1.238 0.888 -11.421 175 HG1 THR 22 HG1 THR 22 1.840 2.908 -12.024 176 HG21 THR 22 3HG2 THR 22 0.362 2.906 -9.980 177 HG22 THR 22 1HG2 THR 22 1.295 2.123 -8.705 178 HG23 THR 22 2HG2 THR 22 -0.002 1.245 -9.515 Start of MODEL 6 1 H1 ARG 1 H ARG 1 -0.408 -3.758 -0.005 2 HA ARG 1 HA ARG 1 -0.353 -1.627 -2.025 3 HB2 ARG 1 2HB ARG 1 0.757 -1.878 0.601 4 HB3 ARG 1 3HB ARG 1 2.071 -1.698 -0.553 5 HG2 ARG 1 2HG ARG 1 1.665 0.490 -0.129 6 HG3 ARG 1 3HG ARG 1 0.517 0.253 -1.449 7 HD2 ARG 1 2HD ARG 1 -1.269 -0.135 0.173 8 HD3 ARG 1 3HD ARG 1 -0.122 0.085 1.494 9 HE ARG 1 HE ARG 1 -0.261 2.322 -0.306 10 HH11 ARG 1 1HH1 ARG 1 -1.640 0.827 2.519 11 HH12 ARG 1 2HH1 ARG 1 -2.278 2.308 3.152 12 HH21 ARG 1 1HH2 ARG 1 -1.095 4.279 0.517 13 HH22 ARG 1 2HH2 ARG 1 -1.968 4.271 2.012 14 H GLY 2 H GLY 2 2.040 -1.393 -2.927 15 HA2 GLY 2 2HA GLY 2 3.945 -2.511 -3.823 16 HA3 GLY 2 3HA GLY 2 3.102 -4.041 -3.625 17 H CYS 3 H CYS 3 4.151 -4.006 -5.931 18 HA CYS 3 HA CYS 3 2.297 -2.801 -7.859 19 HB2 CYS 3 2HB CYS 3 4.923 -4.162 -8.468 20 HB3 CYS 3 3HB CYS 3 3.996 -3.093 -9.516 21 H TYR 4 H TYR 4 1.104 -4.004 -9.265 22 HA TYR 4 HA TYR 4 1.411 -6.921 -9.205 23 HB2 TYR 4 2HB TYR 4 -1.102 -7.112 -9.117 24 HB3 TYR 4 3HB TYR 4 -0.347 -6.547 -7.631 25 HD1 TYR 4 HD1 TYR 4 -0.632 -4.243 -6.887 26 HD2 TYR 4 HD2 TYR 4 -2.501 -5.645 -10.442 27 HE1 TYR 4 HE1 TYR 4 -2.095 -2.265 -6.891 28 HE2 TYR 4 HE2 TYR 4 -3.969 -3.671 -10.456 29 HH TYR 4 HH TYR 4 -4.504 -1.768 -9.455 30 H THR 5 H THR 5 0.390 -8.012 -11.008 31 HA THR 5 HA THR 5 0.385 -6.322 -13.405 32 HB THR 5 HB THR 5 0.659 -9.319 -13.118 33 HG1 THR 5 HG1 THR 5 2.781 -8.956 -13.528 34 HG21 THR 5 3HG2 THR 5 1.297 -9.112 -15.591 35 HG22 THR 5 1HG2 THR 5 0.483 -7.549 -15.542 36 HG23 THR 5 2HG2 THR 5 -0.417 -9.024 -15.186 37 H ARG 6 H ARG 6 -1.397 -6.002 -14.591 38 HA ARG 6 HA ARG 6 -3.717 -7.750 -14.167 39 HB2 ARG 6 2HB ARG 6 -3.621 -4.756 -13.924 40 HB3 ARG 6 3HB ARG 6 -5.111 -5.580 -14.362 41 HG2 ARG 6 2HG ARG 6 -3.636 -6.501 -11.951 42 HG3 ARG 6 3HG ARG 6 -4.555 -4.996 -11.866 43 HD2 ARG 6 2HD ARG 6 -6.055 -7.116 -13.153 44 HD3 ARG 6 3HD ARG 6 -5.541 -7.567 -11.528 45 HE ARG 6 HE ARG 6 -6.591 -5.014 -11.344 46 HH11 ARG 6 1HH1 ARG 6 -7.700 -8.188 -12.249 47 HH12 ARG 6 2HH1 ARG 6 -9.333 -7.904 -11.744 48 HH21 ARG 6 1HH2 ARG 6 -8.737 -4.628 -10.675 49 HH22 ARG 6 2HH2 ARG 6 -9.922 -5.878 -10.849 50 H CYS 7 H CYS 7 -5.057 -8.023 -15.940 51 HA CYS 7 HA CYS 7 -4.114 -6.802 -18.452 52 HB2 CYS 7 2HB CYS 7 -5.374 -9.533 -18.289 53 HB3 CYS 7 3HB CYS 7 -4.442 -8.835 -19.610 54 H TRP 8 H TRP 8 -5.910 -7.235 -20.226 55 HA TRP 8 HA TRP 8 -8.619 -7.185 -19.354 56 HB2 TRP 8 2HB TRP 8 -9.181 -4.895 -19.810 57 HB3 TRP 8 3HB TRP 8 -7.840 -4.901 -18.667 58 HD1 TRP 8 HD1 TRP 8 -8.824 -3.668 -22.079 59 HE1 TRP 8 HE1 TRP 8 -6.876 -2.339 -23.111 60 HE3 TRP 8 HE3 TRP 8 -5.156 -4.866 -18.725 61 HZ2 TRP 8 HZ2 TRP 8 -4.146 -1.863 -22.575 62 HZ3 TRP 8 HZ3 TRP 8 -2.904 -3.932 -19.057 63 HH2 TRP 8 HH2 TRP 8 -2.411 -2.462 -20.943 64 H LYS 9 H LYS 9 -10.068 -7.354 -21.057 65 HA LYS 9 HA LYS 9 -8.857 -8.009 -23.618 66 HB2 LYS 9 2HB LYS 9 -11.711 -8.290 -22.657 67 HB3 LYS 9 3HB LYS 9 -11.091 -8.890 -24.190 68 HG2 LYS 9 2HG LYS 9 -10.222 -10.717 -23.253 69 HG3 LYS 9 3HG LYS 9 -9.563 -9.815 -21.885 70 HD2 LYS 9 2HD LYS 9 -12.137 -9.685 -21.233 71 HD3 LYS 9 3HD LYS 9 -12.191 -11.167 -22.191 72 HE2 LYS 9 2HE LYS 9 -9.954 -11.072 -20.319 73 HE3 LYS 9 3HE LYS 9 -11.528 -10.991 -19.529 74 HZ1 LYS 9 3HZ LYS 9 -11.768 -13.154 -19.846 75 HZ2 LYS 9 1HZ LYS 9 -10.242 -13.236 -20.572 76 HZ3 LYS 9 2HZ LYS 9 -11.616 -12.966 -21.520 77 H VAL 10 H VAL 10 -8.328 -6.001 -24.481 78 HA VAL 10 HA VAL 10 -10.411 -3.997 -24.800 79 HB VAL 10 HB VAL 10 -8.240 -3.140 -24.251 80 HG11 VAL 10 1HG1 VAL 10 -6.581 -4.564 -24.847 81 HG12 VAL 10 2HG1 VAL 10 -7.352 -5.000 -26.373 82 HG13 VAL 10 3HG1 VAL 10 -6.476 -3.476 -26.231 83 HG21 VAL 10 3HG2 VAL 10 -8.642 -2.583 -27.183 84 HG22 VAL 10 1HG2 VAL 10 -9.673 -1.915 -25.917 85 HG23 VAL 10 2HG2 VAL 10 -7.956 -1.513 -25.961 86 H GLY 11 H GLY 11 -11.072 -3.170 -26.838 87 HA2 GLY 11 2HA GLY 11 -11.915 -3.454 -28.958 88 HA3 GLY 11 3HA GLY 11 -10.298 -4.022 -29.346 89 H ARG 12 H ARG 12 -11.381 -5.409 -30.898 90 HA ARG 12 HA ARG 12 -12.307 -7.892 -29.627 91 HB2 ARG 12 2HB ARG 12 -13.938 -8.201 -31.448 92 HB3 ARG 12 3HB ARG 12 -14.278 -6.763 -30.495 93 HG2 ARG 12 2HG ARG 12 -12.621 -6.434 -32.930 94 HG3 ARG 12 3HG ARG 12 -14.343 -6.756 -33.139 95 HD2 ARG 12 2HD ARG 12 -14.406 -4.851 -31.214 96 HD3 ARG 12 3HD ARG 12 -12.970 -4.365 -32.113 97 HE ARG 12 HE ARG 12 -14.957 -4.848 -33.981 98 HH11 ARG 12 1HH1 ARG 12 -14.396 -2.680 -31.316 99 HH12 ARG 12 2HH1 ARG 12 -15.342 -1.396 -31.992 100 HH21 ARG 12 1HH2 ARG 12 -16.206 -3.165 -34.881 101 HH22 ARG 12 2HH2 ARG 12 -16.373 -1.673 -34.019 102 H ASN 13 H ASN 13 -9.728 -7.686 -30.223 103 HA ASN 13 HA ASN 13 -9.362 -9.690 -32.233 104 HB2 ASN 13 2HB ASN 13 -9.462 -7.333 -33.403 105 HB3 ASN 13 3HB ASN 13 -7.813 -7.192 -32.800 106 HD21 ASN 13 1HD2 ASN 13 -9.917 -8.733 -35.047 107 HD22 ASN 13 2HD2 ASN 13 -8.699 -9.566 -35.946 108 H GLY 14 H GLY 14 -8.822 -9.903 -29.623 109 HA2 GLY 14 2HA GLY 14 -6.749 -11.052 -28.887 110 HA3 GLY 14 3HA GLY 14 -5.880 -9.646 -29.485 111 H ARG 15 H ARG 15 -5.090 -9.965 -27.146 112 HA ARG 15 HA ARG 15 -6.647 -8.132 -25.465 113 HB2 ARG 15 2HB ARG 15 -5.525 -10.809 -24.648 114 HB3 ARG 15 3HB ARG 15 -5.929 -9.559 -23.479 115 HG2 ARG 15 2HG ARG 15 -8.150 -9.876 -23.701 116 HG3 ARG 15 3HG ARG 15 -8.036 -10.243 -25.424 117 HD2 ARG 15 2HD ARG 15 -7.033 -12.141 -23.324 118 HD3 ARG 15 3HD ARG 15 -8.717 -12.138 -23.847 119 HE ARG 15 HE ARG 15 -6.962 -12.288 -26.071 120 HH11 ARG 15 1HH1 ARG 15 -8.299 -14.181 -23.472 121 HH12 ARG 15 2HH1 ARG 15 -8.162 -15.684 -24.322 122 HH21 ARG 15 1HH2 ARG 15 -6.777 -14.261 -27.200 123 HH22 ARG 15 2HH2 ARG 15 -7.295 -15.729 -26.443 124 H VAL 16 H VAL 16 -5.233 -7.503 -23.475 125 HA VAL 16 HA VAL 16 -2.388 -7.421 -24.043 126 HB VAL 16 HB VAL 16 -4.098 -4.939 -24.043 127 HG11 VAL 16 1HG1 VAL 16 -2.306 -4.452 -22.547 128 HG12 VAL 16 2HG1 VAL 16 -1.125 -5.193 -23.629 129 HG13 VAL 16 3HG1 VAL 16 -1.928 -3.692 -24.092 130 HG21 VAL 16 3HG2 VAL 16 -2.788 -4.488 -26.127 131 HG22 VAL 16 1HG2 VAL 16 -2.111 -6.111 -25.981 132 HG23 VAL 16 2HG2 VAL 16 -3.846 -5.896 -26.218 133 H CYS 17 H CYS 17 -1.140 -7.070 -22.241 134 HA CYS 17 HA CYS 17 -2.590 -6.643 -19.711 135 HB2 CYS 17 2HB CYS 17 -1.611 -9.006 -20.259 136 HB3 CYS 17 3HB CYS 17 -0.070 -8.263 -19.841 137 H MET 18 H MET 18 -1.562 -5.432 -18.111 138 HA MET 18 HA MET 18 0.975 -4.151 -18.835 139 HB2 MET 18 2HB MET 18 0.186 -1.968 -18.443 140 HB3 MET 18 3HB MET 18 -1.054 -2.721 -19.438 141 HG2 MET 18 2HG MET 18 -2.259 -3.242 -17.263 142 HG3 MET 18 3HG MET 18 -1.129 -2.125 -16.501 143 HE1 MET 18 3HE MET 18 -2.905 0.421 -16.019 144 HE2 MET 18 1HE MET 18 -4.426 -0.366 -16.442 145 HE3 MET 18 2HE MET 18 -3.164 -1.275 -15.610 146 H ARG 19 H ARG 19 2.216 -3.412 -17.079 147 HA ARG 19 HA ARG 19 1.534 -4.713 -14.549 148 HB2 ARG 19 2HB ARG 19 3.940 -4.206 -13.982 149 HB3 ARG 19 3HB ARG 19 3.701 -5.307 -15.332 150 HG2 ARG 19 2HG ARG 19 4.756 -3.957 -16.747 151 HG3 ARG 19 3HG ARG 19 3.864 -2.541 -16.186 152 HD2 ARG 19 2HD ARG 19 5.541 -1.879 -14.863 153 HD3 ARG 19 3HD ARG 19 5.807 -3.508 -14.245 154 HE ARG 19 HE ARG 19 6.776 -3.265 -16.898 155 HH11 ARG 19 1HH1 ARG 19 7.510 -2.403 -13.606 156 HH12 ARG 19 2HH1 ARG 19 9.221 -2.341 -13.866 157 HH21 ARG 19 1HH2 ARG 19 9.028 -3.187 -17.253 158 HH22 ARG 19 2HH2 ARG 19 10.084 -2.787 -15.941 159 H VAL 20 H VAL 20 0.015 -3.203 -13.780 160 HA VAL 20 HA VAL 20 0.800 -0.438 -13.424 161 HB VAL 20 HB VAL 20 -1.551 -1.105 -13.967 162 HG11 VAL 20 1HG1 VAL 20 -1.813 -1.886 -11.081 163 HG12 VAL 20 2HG1 VAL 20 -2.952 -2.140 -12.404 164 HG13 VAL 20 3HG1 VAL 20 -1.458 -3.075 -12.334 165 HG21 VAL 20 3HG2 VAL 20 -2.362 0.752 -12.952 166 HG22 VAL 20 1HG2 VAL 20 -1.757 0.280 -11.363 167 HG23 VAL 20 2HG2 VAL 20 -0.662 0.990 -12.549 168 H CYS 21 H CYS 21 1.377 0.542 -11.543 169 HA CYS 21 HA CYS 21 1.545 -1.138 -9.131 170 HB2 CYS 21 2HB CYS 21 3.769 -0.914 -10.226 171 HB3 CYS 21 3HB CYS 21 3.649 0.834 -10.046 172 H THR 22 H THR 22 1.265 -0.093 -7.158 173 HA THR 22 HA THR 22 0.508 2.745 -7.262 174 HB THR 22 HB THR 22 -1.578 1.488 -7.313 175 HG1 THR 22 HG1 THR 22 -2.183 3.085 -6.069 176 HG21 THR 22 3HG2 THR 22 -1.024 -0.613 -6.388 177 HG22 THR 22 1HG2 THR 22 -2.152 0.116 -5.246 178 HG23 THR 22 2HG2 THR 22 -0.423 0.113 -4.897 Start of MODEL 7 1 H1 ARG 1 H ARG 1 4.952 -1.929 0.212 2 HA ARG 1 HA ARG 1 3.206 -3.310 -1.511 3 HB2 ARG 1 2HB ARG 1 2.218 -1.126 -1.974 4 HB3 ARG 1 3HB ARG 1 2.538 -1.312 -0.255 5 HG2 ARG 1 2HG ARG 1 4.841 -0.136 -1.275 6 HG3 ARG 1 3HG ARG 1 3.509 0.673 -2.104 7 HD2 ARG 1 2HD ARG 1 2.696 1.596 -0.187 8 HD3 ARG 1 3HD ARG 1 3.245 0.256 0.819 9 HE ARG 1 HE ARG 1 5.493 1.623 -0.126 10 HH11 ARG 1 1HH1 ARG 1 2.784 2.130 2.002 11 HH12 ARG 1 2HH1 ARG 1 3.628 3.248 3.022 12 HH21 ARG 1 1HH2 ARG 1 6.614 3.093 1.210 13 HH22 ARG 1 2HH2 ARG 1 5.806 3.796 2.570 14 H GLY 2 H GLY 2 2.695 -2.142 -3.760 15 HA2 GLY 2 2HA GLY 2 4.597 -1.051 -5.395 16 HA3 GLY 2 3HA GLY 2 4.949 -2.772 -5.424 17 H CYS 3 H CYS 3 4.437 -2.027 -7.790 18 HA CYS 3 HA CYS 3 1.636 -1.855 -8.432 19 HB2 CYS 3 2HB CYS 3 3.909 -2.390 -10.345 20 HB3 CYS 3 3HB CYS 3 2.331 -1.702 -10.714 21 H TYR 4 H TYR 4 0.533 -3.381 -9.836 22 HA TYR 4 HA TYR 4 1.543 -6.135 -9.626 23 HB2 TYR 4 2HB TYR 4 -1.362 -5.431 -9.224 24 HB3 TYR 4 3HB TYR 4 -0.564 -6.968 -8.908 25 HD1 TYR 4 HD1 TYR 4 0.959 -7.189 -6.956 26 HD2 TYR 4 HD2 TYR 4 -1.373 -3.689 -7.598 27 HE1 TYR 4 HE1 TYR 4 1.316 -6.528 -4.613 28 HE2 TYR 4 HE2 TYR 4 -1.022 -3.018 -5.258 29 HH TYR 4 HH TYR 4 1.183 -3.863 -3.413 30 H THR 5 H THR 5 0.566 -7.628 -11.163 31 HA THR 5 HA THR 5 0.308 -6.417 -13.756 32 HB THR 5 HB THR 5 0.103 -9.313 -12.910 33 HG1 THR 5 HG1 THR 5 2.196 -8.797 -12.692 34 HG21 THR 5 3HG2 THR 5 -0.086 -7.971 -15.572 35 HG22 THR 5 1HG2 THR 5 -1.000 -9.339 -14.938 36 HG23 THR 5 2HG2 THR 5 0.671 -9.559 -15.457 37 H ARG 6 H ARG 6 -1.475 -6.320 -15.067 38 HA ARG 6 HA ARG 6 -4.015 -7.353 -14.035 39 HB2 ARG 6 2HB ARG 6 -3.257 -4.578 -14.116 40 HB3 ARG 6 3HB ARG 6 -4.609 -4.858 -15.206 41 HG2 ARG 6 2HG ARG 6 -4.760 -6.011 -12.476 42 HG3 ARG 6 3HG ARG 6 -4.967 -4.268 -12.662 43 HD2 ARG 6 2HD ARG 6 -6.724 -4.708 -14.355 44 HD3 ARG 6 3HD ARG 6 -6.561 -6.433 -14.027 45 HE ARG 6 HE ARG 6 -7.936 -4.493 -12.427 46 HH11 ARG 6 1HH1 ARG 6 -6.252 -7.540 -12.379 47 HH12 ARG 6 2HH1 ARG 6 -7.051 -8.107 -10.950 48 HH21 ARG 6 1HH2 ARG 6 -8.996 -5.229 -10.546 49 HH22 ARG 6 2HH2 ARG 6 -8.612 -6.793 -9.909 50 H CYS 7 H CYS 7 -5.747 -7.309 -15.691 51 HA CYS 7 HA CYS 7 -4.989 -6.987 -18.447 52 HB2 CYS 7 2HB CYS 7 -4.210 -9.350 -17.505 53 HB3 CYS 7 3HB CYS 7 -5.895 -9.756 -17.815 54 H TRP 8 H TRP 8 -6.821 -7.647 -19.919 55 HA TRP 8 HA TRP 8 -9.417 -8.064 -18.848 56 HB2 TRP 8 2HB TRP 8 -10.410 -5.895 -19.288 57 HB3 TRP 8 3HB TRP 8 -9.074 -5.705 -18.156 58 HD1 TRP 8 HD1 TRP 8 -10.159 -4.789 -21.689 59 HE1 TRP 8 HE1 TRP 8 -8.525 -3.040 -22.636 60 HE3 TRP 8 HE3 TRP 8 -6.615 -4.912 -18.007 61 HZ2 TRP 8 HZ2 TRP 8 -6.060 -1.869 -21.918 62 HZ3 TRP 8 HZ3 TRP 8 -4.649 -3.447 -18.213 63 HH2 TRP 8 HH2 TRP 8 -4.379 -1.958 -20.129 64 H LYS 9 H LYS 9 -11.129 -7.706 -20.585 65 HA LYS 9 HA LYS 9 -10.098 -8.802 -23.064 66 HB2 LYS 9 2HB LYS 9 -12.906 -8.311 -22.064 67 HB3 LYS 9 3HB LYS 9 -12.541 -8.994 -23.644 68 HG2 LYS 9 2HG LYS 9 -11.858 -10.994 -22.779 69 HG3 LYS 9 3HG LYS 9 -11.361 -10.285 -21.241 70 HD2 LYS 9 2HD LYS 9 -13.275 -11.061 -20.397 71 HD3 LYS 9 3HD LYS 9 -14.095 -9.824 -21.353 72 HE2 LYS 9 2HE LYS 9 -15.070 -12.025 -21.743 73 HE3 LYS 9 3HE LYS 9 -14.314 -11.399 -23.208 74 HZ1 LYS 9 3HZ LYS 9 -12.904 -13.099 -23.266 75 HZ2 LYS 9 1HZ LYS 9 -13.872 -13.845 -22.096 76 HZ3 LYS 9 2HZ LYS 9 -12.511 -12.957 -21.626 77 H VAL 10 H VAL 10 -9.840 -7.725 -24.917 78 HA VAL 10 HA VAL 10 -10.842 -4.956 -25.047 79 HB VAL 10 HB VAL 10 -8.599 -5.956 -26.766 80 HG11 VAL 10 1HG1 VAL 10 -9.175 -3.853 -27.474 81 HG12 VAL 10 2HG1 VAL 10 -9.675 -3.328 -25.865 82 HG13 VAL 10 3HG1 VAL 10 -7.960 -3.457 -26.259 83 HG21 VAL 10 3HG2 VAL 10 -8.354 -4.984 -23.921 84 HG22 VAL 10 1HG2 VAL 10 -7.908 -6.573 -24.542 85 HG23 VAL 10 2HG2 VAL 10 -7.006 -5.143 -25.047 86 H GLY 11 H GLY 11 -11.263 -4.152 -27.286 87 HA2 GLY 11 2HA GLY 11 -13.179 -5.764 -28.568 88 HA3 GLY 11 3HA GLY 11 -12.493 -4.283 -29.218 89 H ARG 12 H ARG 12 -12.419 -5.103 -31.320 90 HA ARG 12 HA ARG 12 -11.145 -7.558 -31.976 91 HB2 ARG 12 2HB ARG 12 -12.840 -6.413 -33.407 92 HB3 ARG 12 3HB ARG 12 -11.643 -5.177 -33.769 93 HG2 ARG 12 2HG ARG 12 -10.426 -7.650 -34.323 94 HG3 ARG 12 3HG ARG 12 -12.051 -7.715 -35.010 95 HD2 ARG 12 2HD ARG 12 -9.966 -5.594 -35.507 96 HD3 ARG 12 3HD ARG 12 -10.492 -6.836 -36.641 97 HE ARG 12 HE ARG 12 -12.717 -5.326 -35.828 98 HH11 ARG 12 1HH1 ARG 12 -9.820 -5.031 -37.736 99 HH12 ARG 12 2HH1 ARG 12 -10.485 -3.832 -38.796 100 HH21 ARG 12 1HH2 ARG 12 -13.604 -3.749 -37.217 101 HH22 ARG 12 2HH2 ARG 12 -12.636 -3.103 -38.500 102 H ASN 13 H ASN 13 -9.174 -7.261 -30.707 103 HA ASN 13 HA ASN 13 -6.972 -6.576 -32.316 104 HB2 ASN 13 2HB ASN 13 -7.947 -4.280 -31.536 105 HB3 ASN 13 3HB ASN 13 -7.186 -4.682 -29.999 106 HD21 ASN 13 1HD2 ASN 13 -6.711 -3.666 -33.240 107 HD22 ASN 13 2HD2 ASN 13 -5.003 -3.423 -33.147 108 H GLY 14 H GLY 14 -7.943 -8.689 -30.579 109 HA2 GLY 14 2HA GLY 14 -7.029 -10.241 -29.153 110 HA3 GLY 14 3HA GLY 14 -5.505 -9.380 -29.319 111 H ARG 15 H ARG 15 -5.580 -10.249 -26.969 112 HA ARG 15 HA ARG 15 -7.079 -8.524 -25.168 113 HB2 ARG 15 2HB ARG 15 -5.500 -11.037 -24.885 114 HB3 ARG 15 3HB ARG 15 -5.665 -10.002 -23.473 115 HG2 ARG 15 2HG ARG 15 -8.238 -10.178 -24.473 116 HG3 ARG 15 3HG ARG 15 -7.576 -11.800 -24.686 117 HD2 ARG 15 2HD ARG 15 -7.550 -10.224 -22.115 118 HD3 ARG 15 3HD ARG 15 -8.685 -11.515 -22.507 119 HE ARG 15 HE ARG 15 -5.985 -11.810 -21.610 120 HH11 ARG 15 1HH1 ARG 15 -8.517 -13.281 -23.492 121 HH12 ARG 15 2HH1 ARG 15 -7.909 -14.891 -23.292 122 HH21 ARG 15 1HH2 ARG 15 -5.174 -13.925 -21.339 123 HH22 ARG 15 2HH2 ARG 15 -6.008 -15.256 -22.067 124 H VAL 16 H VAL 16 -5.783 -7.764 -23.168 125 HA VAL 16 HA VAL 16 -3.063 -6.941 -23.764 126 HB VAL 16 HB VAL 16 -5.350 -5.006 -23.591 127 HG11 VAL 16 1HG1 VAL 16 -2.508 -4.567 -22.737 128 HG12 VAL 16 2HG1 VAL 16 -3.501 -3.242 -23.349 129 HG13 VAL 16 3HG1 VAL 16 -3.997 -4.124 -21.904 130 HG21 VAL 16 3HG2 VAL 16 -4.746 -5.434 -25.810 131 HG22 VAL 16 1HG2 VAL 16 -3.909 -3.932 -25.419 132 HG23 VAL 16 2HG2 VAL 16 -3.023 -5.457 -25.433 133 H CYS 17 H CYS 17 -1.874 -6.984 -21.969 134 HA CYS 17 HA CYS 17 -3.265 -6.824 -19.375 135 HB2 CYS 17 2HB CYS 17 -0.779 -8.426 -20.011 136 HB3 CYS 17 3HB CYS 17 -1.633 -8.387 -18.472 137 H MET 18 H MET 18 -2.721 -5.113 -18.209 138 HA MET 18 HA MET 18 -0.014 -3.995 -18.527 139 HB2 MET 18 2HB MET 18 -2.545 -2.434 -17.983 140 HB3 MET 18 3HB MET 18 -0.932 -1.765 -18.186 141 HG2 MET 18 2HG MET 18 -2.389 -3.297 -20.323 142 HG3 MET 18 3HG MET 18 -2.425 -1.542 -20.167 143 HE1 MET 18 3HE MET 18 -0.411 -1.320 -23.085 144 HE2 MET 18 1HE MET 18 -1.786 -0.857 -22.083 145 HE3 MET 18 2HE MET 18 -0.210 -0.112 -21.814 146 H ARG 19 H ARG 19 1.015 -3.237 -16.680 147 HA ARG 19 HA ARG 19 0.101 -4.432 -14.212 148 HB2 ARG 19 2HB ARG 19 2.589 -2.874 -14.922 149 HB3 ARG 19 3HB ARG 19 2.270 -3.521 -13.318 150 HG2 ARG 19 2HG ARG 19 1.905 -5.653 -15.106 151 HG3 ARG 19 3HG ARG 19 3.377 -4.822 -15.612 152 HD2 ARG 19 2HD ARG 19 2.766 -5.826 -12.834 153 HD3 ARG 19 3HD ARG 19 3.867 -6.576 -13.989 154 HE ARG 19 HE ARG 19 4.392 -4.298 -12.325 155 HH11 ARG 19 1HH1 ARG 19 5.232 -5.918 -15.290 156 HH12 ARG 19 2HH1 ARG 19 6.817 -5.225 -15.373 157 HH21 ARG 19 1HH2 ARG 19 6.477 -3.378 -12.423 158 HH22 ARG 19 2HH2 ARG 19 7.525 -3.780 -13.741 159 H VAL 20 H VAL 20 -1.466 -3.377 -13.158 160 HA VAL 20 HA VAL 20 -1.641 -0.495 -13.180 161 HB VAL 20 HB VAL 20 -3.660 -1.965 -13.207 162 HG11 VAL 20 1HG1 VAL 20 -2.902 -3.670 -11.649 163 HG12 VAL 20 2HG1 VAL 20 -2.889 -2.488 -10.338 164 HG13 VAL 20 3HG1 VAL 20 -4.414 -2.953 -11.092 165 HG21 VAL 20 3HG2 VAL 20 -3.508 0.468 -12.329 166 HG22 VAL 20 1HG2 VAL 20 -4.967 -0.469 -12.009 167 HG23 VAL 20 2HG2 VAL 20 -3.755 -0.265 -10.744 168 H CYS 21 H CYS 21 -1.165 0.896 -11.548 169 HA CYS 21 HA CYS 21 0.050 -0.260 -9.124 170 HB2 CYS 21 2HB CYS 21 1.422 1.140 -10.986 171 HB3 CYS 21 3HB CYS 21 0.879 2.459 -9.954 172 H THR 22 H THR 22 -0.625 0.490 -7.192 173 HA THR 22 HA THR 22 -2.994 2.101 -7.108 174 HB THR 22 HB THR 22 -2.640 0.225 -5.538 175 HG1 THR 22 HG1 THR 22 -4.055 1.493 -4.571 176 HG21 THR 22 3HG2 THR 22 -0.710 1.959 -4.030 177 HG22 THR 22 1HG2 THR 22 -0.145 0.828 -5.259 178 HG23 THR 22 2HG2 THR 22 -1.025 0.233 -3.851 Start of MODEL 8 1 H1 ARG 1 H ARG 1 5.046 -2.316 -0.806 2 HA ARG 1 HA ARG 1 6.323 -0.520 -2.748 3 HB2 ARG 1 2HB ARG 1 6.139 -2.222 -4.493 4 HB3 ARG 1 3HB ARG 1 7.156 -2.785 -3.174 5 HG2 ARG 1 2HG ARG 1 4.846 -3.800 -2.343 6 HG3 ARG 1 3HG ARG 1 4.507 -3.745 -4.075 7 HD2 ARG 1 2HD ARG 1 6.096 -5.303 -4.575 8 HD3 ARG 1 3HD ARG 1 7.123 -4.850 -3.216 9 HE ARG 1 HE ARG 1 6.085 -6.449 -1.965 10 HH11 ARG 1 1HH1 ARG 1 4.068 -5.686 -4.698 11 HH12 ARG 1 2HH1 ARG 1 2.915 -6.934 -4.362 12 HH21 ARG 1 1HH2 ARG 1 4.574 -8.097 -1.512 13 HH22 ARG 1 2HH2 ARG 1 3.203 -8.305 -2.549 14 H GLY 2 H GLY 2 4.868 -0.470 -4.826 15 HA2 GLY 2 2HA GLY 2 2.029 -0.504 -4.040 16 HA3 GLY 2 3HA GLY 2 2.731 0.958 -4.718 17 H CYS 3 H CYS 3 0.731 0.309 -6.131 18 HA CYS 3 HA CYS 3 -0.055 -0.326 -8.169 19 HB2 CYS 3 2HB CYS 3 2.395 0.760 -8.604 20 HB3 CYS 3 3HB CYS 3 2.623 -0.838 -9.307 21 H TYR 4 H TYR 4 0.269 -2.107 -9.972 22 HA TYR 4 HA TYR 4 1.463 -4.563 -9.254 23 HB2 TYR 4 2HB TYR 4 -0.688 -5.832 -8.866 24 HB3 TYR 4 3HB TYR 4 -0.193 -4.772 -7.551 25 HD1 TYR 4 HD2 TYR 4 -2.407 -4.858 -10.549 26 HD2 TYR 4 HD1 TYR 4 -1.705 -3.235 -6.679 27 HE1 TYR 4 HE2 TYR 4 -4.603 -3.754 -10.621 28 HE2 TYR 4 HE1 TYR 4 -3.901 -2.128 -6.739 29 HH TYR 4 HH TYR 4 -6.029 -2.422 -9.570 30 H THR 5 H THR 5 0.967 -6.282 -10.770 31 HA THR 5 HA THR 5 0.418 -5.226 -13.400 32 HB THR 5 HB THR 5 1.136 -8.026 -12.511 33 HG1 THR 5 HG1 THR 5 3.175 -7.441 -12.946 34 HG21 THR 5 3HG2 THR 5 0.859 -6.834 -15.268 35 HG22 THR 5 1HG2 THR 5 -0.050 -8.184 -14.590 36 HG23 THR 5 2HG2 THR 5 1.671 -8.362 -14.933 37 H ARG 6 H ARG 6 -1.489 -5.243 -14.381 38 HA ARG 6 HA ARG 6 -3.404 -7.371 -13.807 39 HB2 ARG 6 2HB ARG 6 -3.719 -4.545 -13.044 40 HB3 ARG 6 3HB ARG 6 -5.087 -5.223 -13.916 41 HG2 ARG 6 2HG ARG 6 -3.872 -6.381 -11.417 42 HG3 ARG 6 3HG ARG 6 -5.342 -5.407 -11.488 43 HD2 ARG 6 2HD ARG 6 -6.549 -7.207 -11.973 44 HD3 ARG 6 3HD ARG 6 -5.537 -7.539 -13.379 45 HE ARG 6 HE ARG 6 -4.489 -9.182 -12.185 46 HH11 ARG 6 1HH1 ARG 6 -6.204 -7.102 -9.983 47 HH12 ARG 6 2HH1 ARG 6 -5.913 -8.106 -8.602 48 HH21 ARG 6 1HH2 ARG 6 -4.099 -10.513 -10.374 49 HH22 ARG 6 2HH2 ARG 6 -4.715 -10.046 -8.825 50 H CYS 7 H CYS 7 -4.966 -7.687 -15.442 51 HA CYS 7 HA CYS 7 -4.418 -6.248 -17.955 52 HB2 CYS 7 2HB CYS 7 -5.350 -9.094 -17.969 53 HB3 CYS 7 3HB CYS 7 -4.434 -8.214 -19.189 54 H TRP 8 H TRP 8 -6.292 -6.804 -19.588 55 HA TRP 8 HA TRP 8 -8.894 -7.130 -18.425 56 HB2 TRP 8 2HB TRP 8 -9.767 -4.927 -18.886 57 HB3 TRP 8 3HB TRP 8 -8.355 -4.763 -17.846 58 HD1 TRP 8 HD1 TRP 8 -9.556 -4.035 -21.403 59 HE1 TRP 8 HE1 TRP 8 -7.912 -2.391 -22.507 60 HE3 TRP 8 HE3 TRP 8 -5.923 -3.983 -17.807 61 HZ2 TRP 8 HZ2 TRP 8 -5.405 -1.228 -21.930 62 HZ3 TRP 8 HZ3 TRP 8 -3.934 -2.579 -18.160 63 HH2 TRP 8 HH2 TRP 8 -3.682 -1.231 -20.180 64 H LYS 9 H LYS 9 -10.618 -7.009 -20.056 65 HA LYS 9 HA LYS 9 -9.744 -8.178 -22.526 66 HB2 LYS 9 2HB LYS 9 -12.410 -7.558 -21.301 67 HB3 LYS 9 3HB LYS 9 -12.306 -8.002 -22.999 68 HG2 LYS 9 2HG LYS 9 -11.055 -10.068 -22.242 69 HG3 LYS 9 3HG LYS 9 -11.552 -9.645 -20.602 70 HD2 LYS 9 2HD LYS 9 -13.933 -9.503 -21.698 71 HD3 LYS 9 3HD LYS 9 -13.203 -10.549 -22.918 72 HE2 LYS 9 2HE LYS 9 -12.392 -11.733 -20.596 73 HE3 LYS 9 3HE LYS 9 -13.989 -11.129 -20.155 74 HZ1 LYS 9 3HZ LYS 9 -14.714 -12.217 -22.347 75 HZ2 LYS 9 1HZ LYS 9 -14.421 -13.216 -21.014 76 HZ3 LYS 9 2HZ LYS 9 -13.265 -13.083 -22.241 77 H VAL 10 H VAL 10 -9.241 -7.132 -24.327 78 HA VAL 10 HA VAL 10 -10.125 -4.343 -24.631 79 HB VAL 10 HB VAL 10 -7.965 -5.603 -26.290 80 HG11 VAL 10 1HG1 VAL 10 -7.243 -3.038 -25.793 81 HG12 VAL 10 2HG1 VAL 10 -8.201 -3.551 -27.184 82 HG13 VAL 10 3HG1 VAL 10 -9.001 -2.906 -25.750 83 HG21 VAL 10 3HG2 VAL 10 -7.868 -4.935 -23.421 84 HG22 VAL 10 1HG2 VAL 10 -6.872 -6.042 -24.366 85 HG23 VAL 10 2HG2 VAL 10 -6.540 -4.310 -24.398 86 H GLY 11 H GLY 11 -10.554 -3.613 -26.875 87 HA2 GLY 11 2HA GLY 11 -12.566 -5.165 -28.077 88 HA3 GLY 11 3HA GLY 11 -11.811 -3.748 -28.790 89 H ARG 12 H ARG 12 -11.885 -4.714 -30.855 90 HA ARG 12 HA ARG 12 -10.689 -7.231 -31.411 91 HB2 ARG 12 2HB ARG 12 -12.419 -6.000 -32.817 92 HB3 ARG 12 3HB ARG 12 -11.096 -4.991 -33.389 93 HG2 ARG 12 2HG ARG 12 -10.939 -6.504 -35.025 94 HG3 ARG 12 3HG ARG 12 -10.090 -7.475 -33.820 95 HD2 ARG 12 2HD ARG 12 -12.623 -8.124 -33.218 96 HD3 ARG 12 3HD ARG 12 -12.811 -7.774 -34.936 97 HE ARG 12 HE ARG 12 -11.441 -10.013 -33.758 98 HH11 ARG 12 1HH1 ARG 12 -11.743 -7.990 -36.575 99 HH12 ARG 12 2HH1 ARG 12 -11.114 -9.185 -37.661 100 HH21 ARG 12 1HH2 ARG 12 -10.612 -11.595 -35.178 101 HH22 ARG 12 2HH2 ARG 12 -10.472 -11.235 -36.866 102 H ASN 13 H ASN 13 -8.658 -6.946 -30.263 103 HA ASN 13 HA ASN 13 -6.513 -6.377 -31.989 104 HB2 ASN 13 2HB ASN 13 -7.395 -4.030 -31.251 105 HB3 ASN 13 3HB ASN 13 -6.576 -4.397 -29.736 106 HD21 ASN 13 1HD2 ASN 13 -5.827 -2.253 -31.250 107 HD22 ASN 13 2HD2 ASN 13 -4.265 -2.538 -31.932 108 H GLY 14 H GLY 14 -7.458 -8.402 -30.138 109 HA2 GLY 14 2HA GLY 14 -6.464 -9.951 -28.754 110 HA3 GLY 14 3HA GLY 14 -4.967 -9.044 -28.910 111 H ARG 15 H ARG 15 -5.012 -9.901 -26.563 112 HA ARG 15 HA ARG 15 -6.600 -8.264 -24.762 113 HB2 ARG 15 2HB ARG 15 -4.874 -10.673 -24.496 114 HB3 ARG 15 3HB ARG 15 -5.044 -9.640 -23.083 115 HG2 ARG 15 2HG ARG 15 -7.615 -9.858 -23.720 116 HG3 ARG 15 3HG ARG 15 -7.035 -11.368 -24.424 117 HD2 ARG 15 2HD ARG 15 -5.905 -11.802 -22.193 118 HD3 ARG 15 3HD ARG 15 -6.854 -10.456 -21.564 119 HE ARG 15 HE ARG 15 -8.682 -12.103 -22.759 120 HH11 ARG 15 1HH1 ARG 15 -6.277 -12.463 -20.268 121 HH12 ARG 15 2HH1 ARG 15 -7.153 -13.692 -19.418 122 HH21 ARG 15 1HH2 ARG 15 -9.846 -13.720 -21.649 123 HH22 ARG 15 2HH2 ARG 15 -9.183 -14.407 -20.205 124 H VAL 16 H VAL 16 -5.362 -7.393 -22.779 125 HA VAL 16 HA VAL 16 -2.718 -6.357 -23.429 126 HB VAL 16 HB VAL 16 -5.129 -4.601 -23.013 127 HG11 VAL 16 1HG1 VAL 16 -3.478 -2.709 -22.917 128 HG12 VAL 16 2HG1 VAL 16 -3.523 -3.739 -21.485 129 HG13 VAL 16 3HG1 VAL 16 -2.218 -3.916 -22.658 130 HG21 VAL 16 3HG2 VAL 16 -4.160 -3.458 -25.022 131 HG22 VAL 16 1HG2 VAL 16 -2.989 -4.772 -25.128 132 HG23 VAL 16 2HG2 VAL 16 -4.711 -5.109 -25.309 133 H CYS 17 H CYS 17 -1.484 -5.894 -21.652 134 HA CYS 17 HA CYS 17 -2.767 -6.001 -19.016 135 HB2 CYS 17 2HB CYS 17 -1.669 -8.233 -19.864 136 HB3 CYS 17 3HB CYS 17 -0.166 -7.426 -19.427 137 H MET 18 H MET 18 -2.169 -4.332 -17.811 138 HA MET 18 HA MET 18 0.539 -3.248 -18.105 139 HB2 MET 18 2HB MET 18 -1.901 -1.479 -17.941 140 HB3 MET 18 3HB MET 18 -0.236 -0.982 -18.209 141 HG2 MET 18 2HG MET 18 -1.777 -2.711 -20.122 142 HG3 MET 18 3HG MET 18 -1.710 -0.954 -20.228 143 HE1 MET 18 3HE MET 18 0.996 0.255 -21.448 144 HE2 MET 18 1HE MET 18 0.513 -0.706 -22.846 145 HE3 MET 18 2HE MET 18 -0.713 -0.051 -21.761 146 H ARG 19 H ARG 19 1.390 -2.285 -16.253 147 HA ARG 19 HA ARG 19 0.381 -3.284 -13.788 148 HB2 ARG 19 2HB ARG 19 2.679 -1.559 -14.607 149 HB3 ARG 19 3HB ARG 19 2.219 -1.602 -12.910 150 HG2 ARG 19 2HG ARG 19 2.855 -3.783 -12.647 151 HG3 ARG 19 3HG ARG 19 2.598 -4.177 -14.348 152 HD2 ARG 19 2HD ARG 19 4.571 -2.463 -14.688 153 HD3 ARG 19 3HD ARG 19 4.937 -2.900 -13.020 154 HE ARG 19 HE ARG 19 5.715 -4.906 -13.773 155 HH11 ARG 19 1HH1 ARG 19 3.640 -3.531 -16.208 156 HH12 ARG 19 2HH1 ARG 19 3.976 -4.765 -17.377 157 HH21 ARG 19 1HH2 ARG 19 6.165 -6.536 -15.304 158 HH22 ARG 19 2HH2 ARG 19 5.412 -6.474 -16.861 159 H VAL 20 H VAL 20 -1.715 -2.412 -13.595 160 HA VAL 20 HA VAL 20 -2.061 0.460 -13.463 161 HB VAL 20 HB VAL 20 -3.814 -1.050 -14.409 162 HG11 VAL 20 1HG1 VAL 20 -3.389 -2.640 -12.299 163 HG12 VAL 20 2HG1 VAL 20 -4.775 -1.729 -11.697 164 HG13 VAL 20 3HG1 VAL 20 -4.900 -2.632 -13.207 165 HG21 VAL 20 3HG2 VAL 20 -4.861 0.459 -12.029 166 HG22 VAL 20 1HG2 VAL 20 -4.215 1.270 -13.456 167 HG23 VAL 20 2HG2 VAL 20 -5.626 0.222 -13.600 168 H CYS 21 H CYS 21 -2.226 1.682 -11.666 169 HA CYS 21 HA CYS 21 -1.677 0.366 -9.108 170 HB2 CYS 21 2HB CYS 21 -1.632 3.330 -9.685 171 HB3 CYS 21 3HB CYS 21 -0.908 2.488 -8.318 172 H THR 22 H THR 22 -2.814 1.043 -7.186 173 HA THR 22 HA THR 22 -5.629 1.107 -7.559 174 HB THR 22 HB THR 22 -4.744 -0.009 -5.617 175 HG1 THR 22 HG1 THR 22 -6.106 0.914 -4.087 176 HG21 THR 22 3HG2 THR 22 -3.747 1.404 -3.758 177 HG22 THR 22 1HG2 THR 22 -3.558 2.680 -4.959 178 HG23 THR 22 2HG2 THR 22 -2.723 1.141 -5.169 Start of MODEL 9 1 H1 ARG 1 H ARG 1 3.811 -4.005 -0.135 2 HA ARG 1 HA ARG 1 1.630 -3.359 -1.342 3 HB2 ARG 1 2HB ARG 1 1.411 -0.952 -1.719 4 HB3 ARG 1 3HB ARG 1 1.342 -1.328 -0.002 5 HG2 ARG 1 2HG ARG 1 4.018 -0.845 -0.434 6 HG3 ARG 1 3HG ARG 1 3.213 0.332 -1.474 7 HD2 ARG 1 2HD ARG 1 2.431 -0.072 1.400 8 HD3 ARG 1 3HD ARG 1 3.715 1.039 0.924 9 HE ARG 1 HE ARG 1 1.510 1.684 -0.614 10 HH11 ARG 1 1HH1 ARG 1 2.340 1.594 2.766 11 HH12 ARG 1 2HH1 ARG 1 1.265 2.882 3.198 12 HH21 ARG 1 1HH2 ARG 1 0.091 3.381 -0.058 13 HH22 ARG 1 2HH2 ARG 1 -0.015 3.897 1.591 14 H GLY 2 H GLY 2 1.917 -1.838 -3.473 15 HA2 GLY 2 2HA GLY 2 4.055 -1.167 -4.822 16 HA3 GLY 2 3HA GLY 2 4.353 -2.895 -4.716 17 H CYS 3 H CYS 3 4.308 -2.248 -7.164 18 HA CYS 3 HA CYS 3 1.626 -2.159 -8.269 19 HB2 CYS 3 2HB CYS 3 4.225 -2.429 -9.781 20 HB3 CYS 3 3HB CYS 3 2.676 -1.864 -10.398 21 H TYR 4 H TYR 4 0.840 -3.721 -9.792 22 HA TYR 4 HA TYR 4 2.095 -6.370 -9.621 23 HB2 TYR 4 2HB TYR 4 -0.240 -7.335 -9.401 24 HB3 TYR 4 3HB TYR 4 0.385 -6.513 -7.977 25 HD1 TYR 4 HD2 TYR 4 -1.661 -5.804 -11.022 26 HD2 TYR 4 HD1 TYR 4 -0.977 -4.985 -6.903 27 HE1 TYR 4 HE2 TYR 4 -3.657 -4.368 -10.982 28 HE2 TYR 4 HE1 TYR 4 -2.973 -3.548 -6.852 29 HH TYR 4 HH TYR 4 -5.284 -3.551 -8.498 30 H THR 5 H THR 5 1.405 -7.855 -11.300 31 HA THR 5 HA THR 5 1.036 -6.477 -13.820 32 HB THR 5 HB THR 5 1.483 -9.407 -13.220 33 HG1 THR 5 HG1 THR 5 3.568 -8.964 -13.531 34 HG21 THR 5 3HG2 THR 5 0.508 -9.546 -15.293 35 HG22 THR 5 1HG2 THR 5 2.179 -9.238 -15.764 36 HG23 THR 5 2HG2 THR 5 1.008 -7.920 -15.758 37 H ARG 6 H ARG 6 -0.793 -6.364 -14.964 38 HA ARG 6 HA ARG 6 -2.963 -8.248 -14.402 39 HB2 ARG 6 2HB ARG 6 -3.003 -5.315 -13.951 40 HB3 ARG 6 3HB ARG 6 -4.429 -6.016 -14.704 41 HG2 ARG 6 2HG ARG 6 -4.330 -7.710 -12.750 42 HG3 ARG 6 3HG ARG 6 -3.302 -6.498 -11.982 43 HD2 ARG 6 2HD ARG 6 -5.360 -5.840 -11.221 44 HD3 ARG 6 3HD ARG 6 -5.237 -4.873 -12.690 45 HE ARG 6 HE ARG 6 -6.462 -7.317 -13.315 46 HH11 ARG 6 1HH1 ARG 6 -7.093 -4.388 -11.543 47 HH12 ARG 6 2HH1 ARG 6 -8.810 -4.469 -11.764 48 HH21 ARG 6 1HH2 ARG 6 -8.720 -7.436 -13.613 49 HH22 ARG 6 2HH2 ARG 6 -9.734 -6.204 -12.941 50 H CYS 7 H CYS 7 -4.418 -8.554 -16.111 51 HA CYS 7 HA CYS 7 -3.704 -7.253 -18.652 52 HB2 CYS 7 2HB CYS 7 -4.508 -10.148 -18.528 53 HB3 CYS 7 3HB CYS 7 -3.696 -9.286 -19.830 54 H TRP 8 H TRP 8 -5.422 -7.473 -20.317 55 HA TRP 8 HA TRP 8 -8.064 -8.208 -19.587 56 HB2 TRP 8 2HB TRP 8 -9.093 -6.000 -19.505 57 HB3 TRP 8 3HB TRP 8 -7.873 -6.145 -18.242 58 HD1 TRP 8 HD1 TRP 8 -8.674 -4.227 -21.426 59 HE1 TRP 8 HE1 TRP 8 -7.000 -2.288 -21.678 60 HE3 TRP 8 HE3 TRP 8 -5.432 -5.460 -17.669 61 HZ2 TRP 8 HZ2 TRP 8 -4.620 -1.399 -20.447 62 HZ3 TRP 8 HZ3 TRP 8 -3.482 -4.013 -17.273 63 HH2 TRP 8 HH2 TRP 8 -3.086 -2.026 -18.634 64 H LYS 9 H LYS 9 -9.426 -8.270 -21.345 65 HA LYS 9 HA LYS 9 -8.217 -8.205 -23.910 66 HB2 LYS 9 2HB LYS 9 -10.521 -8.678 -24.738 67 HB3 LYS 9 3HB LYS 9 -9.981 -9.781 -23.479 68 HG2 LYS 9 2HG LYS 9 -11.259 -7.724 -22.113 69 HG3 LYS 9 3HG LYS 9 -12.264 -8.020 -23.534 70 HD2 LYS 9 2HD LYS 9 -11.752 -10.557 -22.760 71 HD3 LYS 9 3HD LYS 9 -11.721 -9.737 -21.197 72 HE2 LYS 9 2HE LYS 9 -13.946 -10.033 -21.245 73 HE3 LYS 9 3HE LYS 9 -13.937 -8.645 -22.330 74 HZ1 LYS 9 3HZ LYS 9 -13.710 -10.301 -24.185 75 HZ2 LYS 9 1HZ LYS 9 -15.199 -10.312 -23.381 76 HZ3 LYS 9 2HZ LYS 9 -14.053 -11.514 -23.057 77 H VAL 10 H VAL 10 -7.550 -6.250 -24.626 78 HA VAL 10 HA VAL 10 -9.329 -3.946 -24.426 79 HB VAL 10 HB VAL 10 -7.033 -3.507 -23.865 80 HG11 VAL 10 1HG1 VAL 10 -5.272 -3.726 -25.677 81 HG12 VAL 10 2HG1 VAL 10 -5.843 -5.230 -24.952 82 HG13 VAL 10 3HG1 VAL 10 -6.429 -4.738 -26.541 83 HG21 VAL 10 3HG2 VAL 10 -6.638 -1.611 -25.204 84 HG22 VAL 10 1HG2 VAL 10 -7.409 -2.344 -26.611 85 HG23 VAL 10 2HG2 VAL 10 -8.387 -1.840 -25.232 86 H GLY 11 H GLY 11 -9.941 -2.692 -26.249 87 HA2 GLY 11 2HA GLY 11 -10.902 -2.494 -28.329 88 HA3 GLY 11 3HA GLY 11 -9.380 -3.157 -28.905 89 H ARG 12 H ARG 12 -10.575 -4.165 -30.612 90 HA ARG 12 HA ARG 12 -11.921 -6.631 -29.729 91 HB2 ARG 12 2HB ARG 12 -13.357 -4.718 -30.807 92 HB3 ARG 12 3HB ARG 12 -12.664 -5.311 -32.310 93 HG2 ARG 12 2HG ARG 12 -13.659 -7.433 -32.048 94 HG3 ARG 12 3HG ARG 12 -14.083 -7.106 -30.366 95 HD2 ARG 12 2HD ARG 12 -15.898 -5.858 -30.923 96 HD3 ARG 12 3HD ARG 12 -15.161 -5.252 -32.405 97 HE ARG 12 HE ARG 12 -15.616 -7.925 -32.850 98 HH11 ARG 12 1HH1 ARG 12 -17.546 -5.148 -32.025 99 HH12 ARG 12 2HH1 ARG 12 -18.969 -5.738 -32.818 100 HH21 ARG 12 1HH2 ARG 12 -17.482 -8.713 -33.898 101 HH22 ARG 12 2HH2 ARG 12 -18.932 -7.766 -33.883 102 H ASN 13 H ASN 13 -9.290 -6.777 -30.094 103 HA ASN 13 HA ASN 13 -9.041 -8.589 -32.292 104 HB2 ASN 13 2HB ASN 13 -8.697 -6.164 -33.214 105 HB3 ASN 13 3HB ASN 13 -7.122 -6.290 -32.437 106 HD21 ASN 13 1HD2 ASN 13 -8.491 -6.492 -35.297 107 HD22 ASN 13 2HD2 ASN 13 -7.531 -7.717 -36.048 108 H GLY 14 H GLY 14 -8.778 -9.153 -29.692 109 HA2 GLY 14 2HA GLY 14 -7.038 -10.670 -28.866 110 HA3 GLY 14 3HA GLY 14 -5.859 -9.464 -29.359 111 H ARG 15 H ARG 15 -5.292 -10.028 -26.998 112 HA ARG 15 HA ARG 15 -6.655 -8.075 -25.265 113 HB2 ARG 15 2HB ARG 15 -5.465 -10.718 -24.403 114 HB3 ARG 15 3HB ARG 15 -6.233 -9.537 -23.350 115 HG2 ARG 15 2HG ARG 15 -8.157 -10.577 -23.668 116 HG3 ARG 15 3HG ARG 15 -8.097 -10.099 -25.366 117 HD2 ARG 15 2HD ARG 15 -8.336 -12.422 -25.434 118 HD3 ARG 15 3HD ARG 15 -6.613 -12.157 -25.697 119 HE ARG 15 HE ARG 15 -6.830 -12.498 -23.005 120 HH11 ARG 15 1HH1 ARG 15 -7.793 -14.352 -25.789 121 HH12 ARG 15 2HH1 ARG 15 -7.633 -15.881 -24.990 122 HH21 ARG 15 1HH2 ARG 15 -6.615 -14.504 -21.941 123 HH22 ARG 15 2HH2 ARG 15 -6.963 -15.966 -22.800 124 H VAL 16 H VAL 16 -5.323 -7.092 -23.627 125 HA VAL 16 HA VAL 16 -2.448 -7.145 -24.277 126 HB VAL 16 HB VAL 16 -3.676 -5.052 -25.007 127 HG11 VAL 16 1HG1 VAL 16 -3.587 -4.090 -22.205 128 HG12 VAL 16 2HG1 VAL 16 -4.656 -3.627 -23.531 129 HG13 VAL 16 3HG1 VAL 16 -4.930 -5.138 -22.661 130 HG21 VAL 16 3HG2 VAL 16 -1.831 -3.716 -24.587 131 HG22 VAL 16 1HG2 VAL 16 -1.596 -4.373 -22.967 132 HG23 VAL 16 2HG2 VAL 16 -1.171 -5.338 -24.381 133 H CYS 17 H CYS 17 -1.011 -6.558 -22.521 134 HA CYS 17 HA CYS 17 -2.170 -6.888 -19.842 135 HB2 CYS 17 2HB CYS 17 -1.106 -9.024 -20.872 136 HB3 CYS 17 3HB CYS 17 0.427 -8.216 -20.562 137 H MET 18 H MET 18 -1.416 -5.485 -18.379 138 HA MET 18 HA MET 18 1.196 -4.245 -18.760 139 HB2 MET 18 2HB MET 18 -1.189 -2.496 -18.212 140 HB3 MET 18 3HB MET 18 0.426 -2.019 -18.720 141 HG2 MET 18 2HG MET 18 0.044 -2.976 -20.915 142 HG3 MET 18 3HG MET 18 -1.553 -3.527 -20.413 143 HE1 MET 18 3HE MET 18 -0.378 0.356 -22.213 144 HE2 MET 18 1HE MET 18 0.480 0.130 -20.689 145 HE3 MET 18 2HE MET 18 0.570 -1.107 -21.943 146 H ARG 19 H ARG 19 2.121 -3.437 -16.866 147 HA ARG 19 HA ARG 19 1.031 -4.574 -14.435 148 HB2 ARG 19 2HB ARG 19 3.469 -4.701 -15.068 149 HB3 ARG 19 3HB ARG 19 3.569 -2.972 -14.762 150 HG2 ARG 19 2HG ARG 19 2.546 -3.672 -12.436 151 HG3 ARG 19 3HG ARG 19 3.272 -5.225 -12.853 152 HD2 ARG 19 2HD ARG 19 5.357 -3.719 -13.416 153 HD3 ARG 19 3HD ARG 19 4.570 -2.601 -12.302 154 HE ARG 19 HE ARG 19 4.638 -5.082 -11.058 155 HH11 ARG 19 1HH1 ARG 19 6.896 -2.705 -12.231 156 HH12 ARG 19 2HH1 ARG 19 8.116 -3.099 -11.066 157 HH21 ARG 19 1HH2 ARG 19 6.237 -5.610 -9.519 158 HH22 ARG 19 2HH2 ARG 19 7.741 -4.752 -9.524 159 H VAL 20 H VAL 20 -0.774 -3.293 -14.001 160 HA VAL 20 HA VAL 20 -0.517 -0.428 -13.761 161 HB VAL 20 HB VAL 20 -2.626 -1.528 -14.521 162 HG11 VAL 20 1HG1 VAL 20 -3.172 -2.181 -11.648 163 HG12 VAL 20 2HG1 VAL 20 -4.000 -2.752 -13.098 164 HG13 VAL 20 3HG1 VAL 20 -2.386 -3.349 -12.710 165 HG21 VAL 20 3HG2 VAL 20 -3.788 0.261 -13.824 166 HG22 VAL 20 1HG2 VAL 20 -3.526 -0.114 -12.120 167 HG23 VAL 20 2HG2 VAL 20 -2.283 0.738 -13.037 168 H CYS 21 H CYS 21 -0.415 0.768 -11.909 169 HA CYS 21 HA CYS 21 0.201 -0.722 -9.455 170 HB2 CYS 21 2HB CYS 21 1.655 1.216 -10.666 171 HB3 CYS 21 3HB CYS 21 0.699 2.193 -9.557 172 H THR 22 H THR 22 -1.069 -0.600 -7.712 173 HA THR 22 HA THR 22 -2.829 -0.088 -6.362 174 HB THR 22 HB THR 22 -3.275 2.649 -7.269 175 HG1 THR 22 HG1 THR 22 -1.230 3.047 -7.681 176 HG21 THR 22 3HG2 THR 22 -3.752 1.426 -5.008 177 HG22 THR 22 1HG2 THR 22 -3.259 3.118 -5.004 178 HG23 THR 22 2HG2 THR 22 -2.081 1.855 -4.645 Start of MODEL 10 1 H1 ARG 1 H ARG 1 -0.669 5.457 -14.216 2 HA ARG 1 HA ARG 1 0.789 3.061 -14.245 3 HB2 ARG 1 2HB ARG 1 1.136 3.415 -11.886 4 HB3 ARG 1 3HB ARG 1 1.208 4.969 -12.706 5 HG2 ARG 1 2HG ARG 1 -1.342 5.051 -12.062 6 HG3 ARG 1 3HG ARG 1 -0.825 3.910 -10.819 7 HD2 ARG 1 2HD ARG 1 0.970 6.183 -11.069 8 HD3 ARG 1 3HD ARG 1 -0.681 6.665 -10.678 9 HE ARG 1 HE ARG 1 1.175 5.338 -8.959 10 HH11 ARG 1 1HH1 ARG 1 -2.207 5.726 -9.689 11 HH12 ARG 1 2HH1 ARG 1 -2.732 5.326 -8.087 12 HH21 ARG 1 1HH2 ARG 1 0.496 4.811 -6.846 13 HH22 ARG 1 2HH2 ARG 1 -1.194 4.807 -6.471 14 H GLY 2 H GLY 2 0.439 1.272 -12.591 15 HA2 GLY 2 2HA GLY 2 -2.397 0.633 -12.204 16 HA3 GLY 2 3HA GLY 2 -1.414 -0.489 -13.132 17 H CYS 3 H CYS 3 -2.431 -1.750 -11.184 18 HA CYS 3 HA CYS 3 -0.252 -2.220 -9.348 19 HB2 CYS 3 2HB CYS 3 -2.465 -0.604 -8.544 20 HB3 CYS 3 3HB CYS 3 -2.553 -2.133 -7.676 21 H TYR 4 H TYR 4 -0.441 -4.224 -8.218 22 HA TYR 4 HA TYR 4 -0.975 -6.426 -8.020 23 HB2 TYR 4 2HB TYR 4 -3.725 -5.602 -8.969 24 HB3 TYR 4 3HB TYR 4 -3.310 -7.073 -8.095 25 HD1 TYR 4 HD2 TYR 4 -1.483 -5.927 -6.026 26 HD2 TYR 4 HD1 TYR 4 -5.227 -4.551 -7.506 27 HE1 TYR 4 HE2 TYR 4 -1.898 -4.780 -3.891 28 HE2 TYR 4 HE1 TYR 4 -5.652 -3.399 -5.375 29 HH TYR 4 HH TYR 4 -3.278 -3.490 -2.732 30 H THR 5 H THR 5 -1.401 -8.370 -9.262 31 HA THR 5 HA THR 5 -0.782 -7.961 -12.083 32 HB THR 5 HB THR 5 -0.758 -10.477 -10.406 33 HG1 THR 5 HG1 THR 5 1.529 -10.223 -10.674 34 HG21 THR 5 3HG2 THR 5 0.760 -10.783 -12.762 35 HG22 THR 5 1HG2 THR 5 -0.806 -10.138 -13.251 36 HG23 THR 5 2HG2 THR 5 -0.721 -11.628 -12.312 37 H ARG 6 H ARG 6 -2.558 -7.637 -13.288 38 HA ARG 6 HA ARG 6 -4.538 -9.764 -13.387 39 HB2 ARG 6 2HB ARG 6 -5.119 -6.961 -12.535 40 HB3 ARG 6 3HB ARG 6 -6.310 -7.807 -13.513 41 HG2 ARG 6 2HG ARG 6 -6.594 -9.492 -11.872 42 HG3 ARG 6 3HG ARG 6 -5.189 -8.932 -10.962 43 HD2 ARG 6 2HD ARG 6 -6.811 -7.943 -9.719 44 HD3 ARG 6 3HD ARG 6 -6.605 -6.680 -10.932 45 HE ARG 6 HE ARG 6 -8.550 -8.497 -11.824 46 HH11 ARG 6 1HH1 ARG 6 -8.078 -6.060 -9.383 47 HH12 ARG 6 2HH1 ARG 6 -9.758 -5.650 -9.282 48 HH21 ARG 6 1HH2 ARG 6 -10.765 -7.966 -11.700 49 HH22 ARG 6 2HH2 ARG 6 -11.286 -6.735 -10.600 50 H CYS 7 H CYS 7 -5.545 -9.967 -15.375 51 HA CYS 7 HA CYS 7 -4.872 -8.003 -17.445 52 HB2 CYS 7 2HB CYS 7 -4.619 -10.962 -17.958 53 HB3 CYS 7 3HB CYS 7 -4.053 -9.629 -18.960 54 H TRP 8 H TRP 8 -6.403 -7.738 -19.019 55 HA TRP 8 HA TRP 8 -8.642 -9.587 -19.182 56 HB2 TRP 8 2HB TRP 8 -10.277 -7.669 -18.966 57 HB3 TRP 8 3HB TRP 8 -9.475 -8.148 -17.472 58 HD1 TRP 8 HD1 TRP 8 -9.960 -5.210 -19.770 59 HE1 TRP 8 HE1 TRP 8 -8.728 -3.160 -18.820 60 HE3 TRP 8 HE3 TRP 8 -7.270 -7.516 -16.085 61 HZ2 TRP 8 HZ2 TRP 8 -6.861 -2.595 -16.779 62 HZ3 TRP 8 HZ3 TRP 8 -5.784 -6.149 -14.678 63 HH2 TRP 8 HH2 TRP 8 -5.585 -3.740 -15.020 64 H LYS 9 H LYS 9 -10.092 -9.076 -21.002 65 HA LYS 9 HA LYS 9 -8.540 -8.129 -23.263 66 HB2 LYS 9 2HB LYS 9 -9.791 -10.217 -23.479 67 HB3 LYS 9 3HB LYS 9 -11.292 -9.375 -23.120 68 HG2 LYS 9 2HG LYS 9 -10.280 -7.957 -25.248 69 HG3 LYS 9 3HG LYS 9 -9.845 -9.626 -25.626 70 HD2 LYS 9 2HD LYS 9 -12.614 -8.979 -24.699 71 HD3 LYS 9 3HD LYS 9 -12.156 -8.682 -26.377 72 HE2 LYS 9 2HE LYS 9 -12.669 -10.819 -26.757 73 HE3 LYS 9 3HE LYS 9 -11.195 -11.223 -25.878 74 HZ1 LYS 9 3HZ LYS 9 -13.154 -10.765 -23.974 75 HZ2 LYS 9 1HZ LYS 9 -12.460 -12.249 -24.399 76 HZ3 LYS 9 2HZ LYS 9 -13.878 -11.729 -25.160 77 H VAL 10 H VAL 10 -8.488 -5.885 -22.776 78 HA VAL 10 HA VAL 10 -11.050 -4.467 -22.898 79 HB VAL 10 HB VAL 10 -9.653 -3.756 -21.078 80 HG11 VAL 10 1HG1 VAL 10 -7.499 -4.491 -21.872 81 HG12 VAL 10 2HG1 VAL 10 -7.524 -3.286 -23.161 82 HG13 VAL 10 3HG1 VAL 10 -7.417 -2.775 -21.476 83 HG21 VAL 10 3HG2 VAL 10 -10.941 -2.037 -22.336 84 HG22 VAL 10 1HG2 VAL 10 -9.524 -1.395 -21.505 85 HG23 VAL 10 2HG2 VAL 10 -9.477 -1.667 -23.247 86 H GLY 11 H GLY 11 -11.403 -2.761 -24.375 87 HA2 GLY 11 2HA GLY 11 -11.441 -1.931 -26.522 88 HA3 GLY 11 3HA GLY 11 -9.711 -1.740 -26.276 89 H ARG 12 H ARG 12 -9.367 -2.147 -28.506 90 HA ARG 12 HA ARG 12 -9.636 -4.991 -29.229 91 HB2 ARG 12 2HB ARG 12 -10.827 -2.873 -30.527 92 HB3 ARG 12 3HB ARG 12 -9.367 -3.130 -31.473 93 HG2 ARG 12 2HG ARG 12 -10.057 -5.142 -32.253 94 HG3 ARG 12 3HG ARG 12 -10.960 -5.525 -30.786 95 HD2 ARG 12 2HD ARG 12 -12.859 -4.670 -31.604 96 HD3 ARG 12 3HD ARG 12 -12.042 -3.242 -32.237 97 HE ARG 12 HE ARG 12 -12.720 -5.629 -33.678 98 HH11 ARG 12 1HH1 ARG 12 -10.559 -2.903 -33.530 99 HH12 ARG 12 2HH1 ARG 12 -10.186 -2.941 -35.221 100 HH21 ARG 12 1HH2 ARG 12 -12.237 -5.689 -35.906 101 HH22 ARG 12 2HH2 ARG 12 -11.142 -4.526 -36.572 102 H ASN 13 H ASN 13 -8.105 -5.099 -31.459 103 HA ASN 13 HA ASN 13 -5.963 -5.338 -32.183 104 HB2 ASN 13 2HB ASN 13 -6.035 -2.852 -32.186 105 HB3 ASN 13 3HB ASN 13 -5.420 -2.858 -30.535 106 HD21 ASN 13 1HD2 ASN 13 -3.444 -2.040 -30.714 107 HD22 ASN 13 2HD2 ASN 13 -2.205 -2.639 -31.759 108 H GLY 14 H GLY 14 -6.884 -6.473 -29.575 109 HA2 GLY 14 2HA GLY 14 -5.352 -8.180 -28.600 110 HA3 GLY 14 3HA GLY 14 -4.220 -6.859 -28.352 111 H ARG 15 H ARG 15 -4.444 -7.962 -26.132 112 HA ARG 15 HA ARG 15 -6.627 -6.650 -24.649 113 HB2 ARG 15 2HB ARG 15 -5.143 -9.151 -23.829 114 HB3 ARG 15 3HB ARG 15 -6.542 -8.442 -23.034 115 HG2 ARG 15 2HG ARG 15 -7.918 -8.939 -24.981 116 HG3 ARG 15 3HG ARG 15 -6.514 -9.623 -25.804 117 HD2 ARG 15 2HD ARG 15 -7.369 -10.660 -23.129 118 HD3 ARG 15 3HD ARG 15 -8.177 -11.204 -24.599 119 HE ARG 15 HE ARG 15 -5.556 -11.934 -23.697 120 HH11 ARG 15 1HH1 ARG 15 -7.594 -11.544 -26.493 121 HH12 ARG 15 2HH1 ARG 15 -6.703 -12.671 -27.461 122 HH21 ARG 15 1HH2 ARG 15 -4.375 -13.420 -24.962 123 HH22 ARG 15 2HH2 ARG 15 -4.873 -13.738 -26.590 124 H VAL 16 H VAL 16 -5.880 -6.658 -22.150 125 HA VAL 16 HA VAL 16 -3.242 -5.340 -22.111 126 HB VAL 16 HB VAL 16 -5.257 -3.855 -21.730 127 HG11 VAL 16 1HG1 VAL 16 -6.550 -5.467 -20.393 128 HG12 VAL 16 2HG1 VAL 16 -5.361 -5.325 -19.097 129 HG13 VAL 16 3HG1 VAL 16 -6.335 -3.928 -19.559 130 HG21 VAL 16 3HG2 VAL 16 -3.585 -3.797 -19.268 131 HG22 VAL 16 1HG2 VAL 16 -2.790 -3.617 -20.832 132 HG23 VAL 16 2HG2 VAL 16 -4.051 -2.483 -20.349 133 H CYS 17 H CYS 17 -2.051 -5.467 -20.098 134 HA CYS 17 HA CYS 17 -2.839 -7.533 -18.212 135 HB2 CYS 17 2HB CYS 17 -1.445 -8.459 -20.263 136 HB3 CYS 17 3HB CYS 17 -0.090 -7.804 -19.349 137 H MET 18 H MET 18 -2.821 -6.116 -16.528 138 HA MET 18 HA MET 18 -0.698 -4.234 -16.121 139 HB2 MET 18 2HB MET 18 -3.095 -5.085 -14.525 140 HB3 MET 18 3HB MET 18 -1.867 -4.048 -13.811 141 HG2 MET 18 2HG MET 18 -2.257 -2.640 -15.994 142 HG3 MET 18 3HG MET 18 -3.809 -3.475 -15.984 143 HE1 MET 18 3HE MET 18 -3.808 -0.354 -15.885 144 HE2 MET 18 1HE MET 18 -5.249 -1.363 -15.759 145 HE3 MET 18 2HE MET 18 -4.972 -0.073 -14.589 146 H ARG 19 H ARG 19 0.868 -4.244 -14.481 147 HA ARG 19 HA ARG 19 1.625 -6.936 -13.598 148 HB2 ARG 19 2HB ARG 19 3.091 -4.554 -14.442 149 HB3 ARG 19 3HB ARG 19 3.723 -5.255 -12.959 150 HG2 ARG 19 2HG ARG 19 4.121 -7.346 -14.023 151 HG3 ARG 19 3HG ARG 19 3.247 -6.839 -15.470 152 HD2 ARG 19 2HD ARG 19 5.456 -5.073 -14.700 153 HD3 ARG 19 3HD ARG 19 5.950 -6.706 -15.144 154 HE ARG 19 HE ARG 19 4.154 -5.733 -17.071 155 HH11 ARG 19 1HH1 ARG 19 7.399 -5.216 -15.922 156 HH12 ARG 19 2HH1 ARG 19 7.991 -4.656 -17.451 157 HH21 ARG 19 1HH2 ARG 19 4.921 -4.998 -19.089 158 HH22 ARG 19 2HH2 ARG 19 6.580 -4.532 -19.252 159 H VAL 20 H VAL 20 2.582 -7.161 -11.435 160 HA VAL 20 HA VAL 20 0.894 -6.426 -9.397 161 HB VAL 20 HB VAL 20 2.726 -8.169 -9.310 162 HG11 VAL 20 1HG1 VAL 20 4.421 -6.183 -9.895 163 HG12 VAL 20 2HG1 VAL 20 4.556 -6.166 -8.135 164 HG13 VAL 20 3HG1 VAL 20 4.911 -7.642 -9.033 165 HG21 VAL 20 3HG2 VAL 20 2.487 -8.272 -7.067 166 HG22 VAL 20 1HG2 VAL 20 3.031 -6.611 -6.828 167 HG23 VAL 20 2HG2 VAL 20 1.371 -6.932 -7.331 168 H CYS 21 H CYS 21 1.229 -5.000 -7.550 169 HA CYS 21 HA CYS 21 1.463 -2.341 -8.201 170 HB2 CYS 21 2HB CYS 21 1.753 -3.821 -5.607 171 HB3 CYS 21 3HB CYS 21 2.024 -2.082 -5.663 172 H THR 22 H THR 22 3.167 -1.479 -9.213 173 HA THR 22 HA THR 22 5.869 -2.288 -8.624 174 HB THR 22 HB THR 22 6.378 -0.288 -10.210 175 HG1 THR 22 HG1 THR 22 4.680 0.750 -10.906 176 HG21 THR 22 3HG2 THR 22 5.004 -2.018 -11.981 177 HG22 THR 22 1HG2 THR 22 5.611 -3.002 -10.650 178 HG23 THR 22 2HG2 THR 22 6.723 -2.003 -11.587
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