NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
555786 | 2lo9 | 18203 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 1HT VAL 1 11.017 0.162 2.414 2 H2 VAL 1 2HT VAL 1 9.563 0.536 3.201 3 H3 VAL 1 3HT VAL 1 10.497 1.770 2.505 4 HA VAL 1 HA VAL 1 9.739 1.394 0.430 5 HB VAL 1 HB VAL 1 9.164 -0.985 -0.266 6 HG11 VAL 1 2HG1 VAL 1 11.742 -1.683 0.515 7 HG12 VAL 1 3HG1 VAL 1 11.779 0.081 0.486 8 HG13 VAL 1 1HG1 VAL 1 11.305 -0.811 -0.957 9 HG21 VAL 1 1HG2 VAL 1 10.532 -1.950 2.211 10 HG22 VAL 1 2HG2 VAL 1 9.351 -2.774 1.190 11 HG23 VAL 1 3HG2 VAL 1 8.819 -1.536 2.330 12 H GLY 2 H GLY 2 7.516 0.794 -0.535 13 HA2 GLY 2 2HA GLY 2 5.241 -0.101 0.341 14 HA3 GLY 2 1HA GLY 2 5.451 1.103 1.587 15 H GLU 3 H GLU 3 6.782 2.847 -0.600 16 HA GLU 3 HA GLU 3 4.765 4.653 -1.167 17 HB2 GLU 3 2HB GLU 3 6.221 5.198 -3.199 18 HB3 GLU 3 1HB GLU 3 7.057 5.151 -1.650 19 HG2 GLU 3 2HG GLU 3 7.977 2.995 -2.097 20 HG3 GLU 3 1HG GLU 3 6.893 2.730 -3.457 21 H ARG 4 H ARG 4 5.513 1.717 -2.971 22 HA ARG 4 HA ARG 4 3.917 2.112 -5.265 23 HB2 ARG 4 2HB ARG 4 4.862 0.107 -5.666 24 HB3 ARG 4 1HB ARG 4 5.461 0.084 -4.013 25 HG2 ARG 4 2HG ARG 4 4.236 -1.865 -4.001 26 HG3 ARG 4 1HG ARG 4 2.971 -0.743 -3.505 27 HD2 ARG 4 2HD ARG 4 2.181 -0.564 -5.840 28 HD3 ARG 4 1HD ARG 4 3.481 -1.654 -6.370 29 HE ARG 4 HE ARG 4 2.295 -3.110 -4.375 30 HH11 ARG 4 1HH2 ARG 4 1.061 -1.441 -7.174 31 HH12 ARG 4 2HH2 ARG 4 -0.302 -2.494 -7.355 32 HH21 ARG 4 1HH1 ARG 4 0.529 -4.488 -4.616 33 HH22 ARG 4 2HH1 ARG 4 -0.608 -4.227 -5.900 34 H CYS 5 H CYS 5 2.912 1.452 -1.963 35 HA CYS 5 HA CYS 5 0.276 0.449 -2.709 36 HB2 CYS 5 2HB CYS 5 1.657 0.041 -0.558 37 HB3 CYS 5 1HB CYS 5 1.064 1.622 -0.043 38 H CYS 6 H CYS 6 1.159 3.473 -0.912 39 HA CYS 6 HA CYS 6 -1.321 4.780 -1.250 40 HB2 CYS 6 2HB CYS 6 1.433 6.068 -1.318 41 HB3 CYS 6 1HB CYS 6 -0.071 6.829 -0.829 42 H LYS 7 H LYS 7 1.444 4.594 -3.492 43 HA LYS 7 HA LYS 7 0.517 6.460 -5.464 44 HB2 LYS 7 2HB LYS 7 2.333 4.065 -5.354 45 HB3 LYS 7 1HB LYS 7 1.968 4.794 -6.916 46 HG2 LYS 7 2HG LYS 7 2.747 6.653 -4.720 47 HG3 LYS 7 1HG LYS 7 4.018 5.626 -5.382 48 HD2 LYS 7 2HD LYS 7 2.180 7.192 -7.195 49 HD3 LYS 7 1HD LYS 7 3.623 7.936 -6.506 50 HE2 LYS 7 2HE LYS 7 3.784 5.283 -7.961 51 HE3 LYS 7 1HE LYS 7 3.872 6.827 -8.838 52 HZ1 LYS 7 3HZ LYS 7 5.678 7.531 -7.419 53 HZ2 LYS 7 1HZ LYS 7 6.079 6.038 -8.114 54 HZ3 LYS 7 2HZ LYS 7 5.568 6.110 -6.498 55 H ASN 8 H ASN 8 -0.531 3.236 -4.675 56 HA ASN 8 HA ASN 8 -2.139 3.105 -7.201 57 HB2 ASN 8 2HB ASN 8 -0.437 1.250 -5.691 58 HB3 ASN 8 1HB ASN 8 -1.976 0.555 -6.172 59 HD21 ASN 8 1HD2 ASN 8 1.141 1.122 -7.268 60 HD22 ASN 8 2HD2 ASN 8 0.847 0.981 -8.929 61 H GLY 9 H GLY 9 -2.339 3.289 -3.764 62 HA2 GLY 9 2HA GLY 9 -4.176 3.179 -2.299 63 HA3 GLY 9 1HA GLY 9 -5.181 3.494 -3.711 64 H LYS 10 H LYS 10 -6.660 1.924 -4.035 65 HA LYS 10 HA LYS 10 -6.743 -0.607 -2.744 66 HB2 LYS 10 2HB LYS 10 -7.964 0.561 -5.246 67 HB3 LYS 10 1HB LYS 10 -8.312 -1.100 -4.763 68 HG2 LYS 10 2HG LYS 10 -9.028 -0.256 -2.515 69 HG3 LYS 10 1HG LYS 10 -8.792 1.391 -3.095 70 HD2 LYS 10 2HD LYS 10 -10.818 1.377 -4.086 71 HD3 LYS 10 1HD LYS 10 -10.396 -0.074 -4.995 72 HE2 LYS 10 2HE LYS 10 -11.205 -0.245 -2.079 73 HE3 LYS 10 1HE LYS 10 -12.412 -0.268 -3.382 74 HZ1 LYS 10 3HZ LYS 10 -10.064 -2.088 -3.133 75 HZ2 LYS 10 1HZ LYS 10 -11.164 -2.084 -4.427 76 HZ3 LYS 10 2HZ LYS 10 -11.683 -2.511 -2.875 77 H ARG 11 H ARG 11 -5.124 0.393 -5.708 78 HA ARG 11 HA ARG 11 -4.622 -2.263 -6.760 79 HB2 ARG 11 2HB ARG 11 -3.291 0.425 -7.147 80 HB3 ARG 11 1HB ARG 11 -2.980 -0.979 -8.157 81 HG2 ARG 11 2HG ARG 11 -5.760 -0.799 -8.124 82 HG3 ARG 11 1HG ARG 11 -5.242 0.884 -8.196 83 HD2 ARG 11 2HD ARG 11 -4.248 -1.307 -10.053 84 HD3 ARG 11 1HD ARG 11 -5.477 -0.101 -10.470 85 HE ARG 11 HE ARG 11 -2.974 1.037 -9.413 86 HH11 ARG 11 1HH2 ARG 11 -4.778 0.009 -12.207 87 HH12 ARG 11 2HH2 ARG 11 -3.876 0.986 -13.310 88 HH21 ARG 11 1HH1 ARG 11 -1.803 2.326 -10.845 89 HH22 ARG 11 2HH1 ARG 11 -2.185 2.303 -12.537 90 H GLY 12 H GLY 12 -3.186 -0.341 -4.307 91 HA2 GLY 12 2HA GLY 12 -0.663 -1.889 -4.305 92 HA3 GLY 12 1HA GLY 12 -1.008 -0.484 -3.304 93 H CYS 13 H CYS 13 -3.726 -1.878 -2.683 94 HA CYS 13 HA CYS 13 -3.097 -2.875 -0.128 95 HB2 CYS 13 2HB CYS 13 -5.364 -2.956 -2.034 96 HB3 CYS 13 1HB CYS 13 -5.400 -4.185 -0.769 97 H GLY 14 H GLY 14 -2.268 -4.771 0.573 98 HA2 GLY 14 2HA GLY 14 -2.684 -7.359 -0.338 99 HA3 GLY 14 1HA GLY 14 -1.304 -6.772 -1.276 100 H ARG 15 H ARG 15 -0.991 -8.880 0.590 101 HA ARG 15 HA ARG 15 -0.255 -8.263 3.208 102 HB2 ARG 15 2HB ARG 15 1.549 -10.080 2.818 103 HB3 ARG 15 1HB ARG 15 -0.136 -10.523 2.581 104 HG2 ARG 15 2HG ARG 15 0.123 -10.198 0.140 105 HG3 ARG 15 1HG ARG 15 1.804 -9.734 0.386 106 HD2 ARG 15 2HD ARG 15 1.559 -12.136 -0.293 107 HD3 ARG 15 1HD ARG 15 2.313 -11.976 1.303 108 HE ARG 15 HE ARG 15 -0.511 -12.783 0.782 109 HH11 ARG 15 1HH2 ARG 15 2.060 -12.099 3.028 110 HH12 ARG 15 2HH2 ARG 15 1.341 -12.995 4.311 111 HH21 ARG 15 1HH1 ARG 15 -1.445 -13.942 2.469 112 HH22 ARG 15 2HH1 ARG 15 -0.643 -14.045 4.000 113 H TRP 16 H TRP 16 1.721 -7.740 0.271 114 HA TRP 16 HA TRP 16 4.136 -6.833 1.484 115 HB2 TRP 16 2HB TRP 16 3.636 -7.250 -0.956 116 HB3 TRP 16 1HB TRP 16 2.758 -5.717 -0.979 117 HD1 TRP 16 HD TRP 16 6.247 -7.184 -0.628 118 HE1 TRP 16 1HE TRP 16 7.976 -5.345 -0.983 119 HE3 TRP 16 3HE TRP 16 3.173 -3.102 -0.774 120 HZ2 TRP 16 2HZ TRP 16 8.068 -2.488 -1.309 121 HZ3 TRP 16 3HZ TRP 16 4.104 -0.846 -1.117 122 HH2 TRP 16 HH TRP 16 6.549 -0.529 -1.377 123 H CYS 17 H CYS 17 1.434 -4.800 0.261 124 HA CYS 17 HA CYS 17 2.299 -2.390 1.521 125 HB2 CYS 17 2HB CYS 17 0.633 -2.491 -0.273 126 HB3 CYS 17 1HB CYS 17 -0.459 -3.400 0.758 127 H ARG 18 H ARG 18 0.069 -4.957 2.626 128 HA ARG 18 HA ARG 18 -0.809 -3.848 5.065 129 HB2 ARG 18 2HB ARG 18 -1.205 -6.135 3.804 130 HB3 ARG 18 1HB ARG 18 0.072 -6.716 4.868 131 HG2 ARG 18 2HG ARG 18 -1.393 -5.477 6.722 132 HG3 ARG 18 1HG ARG 18 -2.683 -5.768 5.557 133 HD2 ARG 18 2HD ARG 18 -0.846 -8.044 6.197 134 HD3 ARG 18 1HD ARG 18 -2.084 -7.598 7.381 135 HE ARG 18 HE ARG 18 -2.860 -7.965 4.520 136 HH11 ARG 18 1HH2 ARG 18 -3.035 -8.937 7.870 137 HH12 ARG 18 2HH2 ARG 18 -4.485 -9.847 7.653 138 HH21 ARG 18 1HH1 ARG 18 -4.752 -9.163 4.254 139 HH22 ARG 18 2HH1 ARG 18 -5.460 -9.977 5.610 140 H ASP 19 H ASP 19 2.250 -5.597 4.402 141 HA ASP 19 HA ASP 19 3.126 -5.118 7.195 142 HB2 ASP 19 2HB ASP 19 3.328 -7.230 5.505 143 HB3 ASP 19 1HB ASP 19 4.877 -6.441 5.204 144 H HIS 20 H HIS 20 3.824 -3.976 3.936 145 HA HIS 20 HA HIS 20 6.222 -2.477 4.924 146 HB2 HIS 20 2HB HIS 20 5.186 -3.082 2.135 147 HB3 HIS 20 1HB HIS 20 6.723 -2.315 2.505 148 HD1 HIS 20 1HD HIS 20 4.909 -5.612 3.133 149 HD2 HIS 20 2HD HIS 20 8.790 -4.129 2.878 150 HE1 HIS 20 1HE HIS 20 6.448 -7.623 3.203 151 H SER 21 H SER 21 2.900 -1.905 4.160 152 HA SER 21 HA SER 21 3.520 1.008 3.752 153 HB2 SER 21 2HB SER 21 1.632 -0.831 2.287 154 HB3 SER 21 1HB SER 21 1.683 0.897 2.039 155 HG SER 21 HG SER 21 3.922 -0.824 1.724 156 H ARG 22 H ARG 22 2.508 2.083 5.467 157 HA ARG 22 HA ARG 22 0.014 1.006 6.664 158 HB2 ARG 22 2HB ARG 22 1.717 3.498 7.097 159 HB3 ARG 22 1HB ARG 22 0.277 3.132 8.045 160 HG2 ARG 22 2HG ARG 22 2.648 1.259 7.791 161 HG3 ARG 22 1HG ARG 22 2.430 2.384 9.134 162 HD2 ARG 22 2HD ARG 22 0.529 0.136 8.357 163 HD3 ARG 22 1HD ARG 22 1.568 0.187 9.795 164 HE ARG 22 HE ARG 22 -0.895 1.740 9.387 165 HH11 ARG 22 1HH2 ARG 22 2.144 1.449 11.085 166 HH12 ARG 22 2HH2 ARG 22 1.626 2.405 12.425 167 HH21 ARG 22 1HH1 ARG 22 -1.565 2.990 11.138 168 HH22 ARG 22 2HH1 ARG 22 -0.489 3.269 12.467 169 H CYS 23 H CYS 23 -0.659 1.249 4.147 170 HA CYS 23 HA CYS 23 -2.058 3.894 3.862 171 HB2 CYS 23 2HB CYS 23 0.228 3.224 2.596 172 HB3 CYS 23 1HB CYS 23 -0.909 2.470 1.494 173 H CYS 24 H CYS 24 -2.545 0.602 4.131 174 HA CYS 24 HA CYS 24 -4.925 0.661 2.298 175 HB2 CYS 24 2HB CYS 24 -2.545 -0.994 2.340 176 HB3 CYS 24 1HB CYS 24 -3.994 -1.984 2.502 177 HN1 NH2 25 2H CYS 24 -6.824 -0.358 5.088 178 HN2 NH2 25 1H CYS 24 -6.695 0.637 3.724 Start of MODEL 2 1 H1 VAL 1 1HT VAL 1 11.344 1.104 2.364 2 H2 VAL 1 2HT VAL 1 10.022 0.541 3.266 3 H3 VAL 1 3HT VAL 1 9.967 2.065 2.517 4 HA VAL 1 HA VAL 1 9.912 1.081 0.341 5 HB VAL 1 HB VAL 1 10.459 -1.406 2.003 6 HG11 VAL 1 2HG1 VAL 1 8.740 -1.835 0.207 7 HG12 VAL 1 3HG1 VAL 1 10.250 -2.726 -0.020 8 HG13 VAL 1 1HG1 VAL 1 9.927 -1.274 -0.977 9 HG21 VAL 1 1HG2 VAL 1 12.577 -0.669 1.500 10 HG22 VAL 1 2HG2 VAL 1 12.006 0.367 0.196 11 HG23 VAL 1 3HG2 VAL 1 12.238 -1.355 -0.088 12 H GLY 2 H GLY 2 7.746 1.343 -0.166 13 HA2 GLY 2 2HA GLY 2 5.643 -0.363 0.432 14 HA3 GLY 2 1HA GLY 2 5.665 0.755 1.775 15 H GLU 3 H GLU 3 6.694 2.890 -0.214 16 HA GLU 3 HA GLU 3 4.485 4.430 -0.616 17 HB2 GLU 3 2HB GLU 3 5.748 5.325 -2.637 18 HB3 GLU 3 1HB GLU 3 6.660 5.240 -1.134 19 HG2 GLU 3 2HG GLU 3 7.829 3.296 -1.825 20 HG3 GLU 3 1HG GLU 3 6.716 2.996 -3.157 21 H ARG 4 H ARG 4 5.382 1.730 -2.712 22 HA ARG 4 HA ARG 4 3.715 2.150 -4.917 23 HB2 ARG 4 2HB ARG 4 4.690 0.173 -5.394 24 HB3 ARG 4 1HB ARG 4 5.249 0.058 -3.733 25 HG2 ARG 4 2HG ARG 4 3.997 -1.906 -4.059 26 HG3 ARG 4 1HG ARG 4 2.891 -0.845 -3.189 27 HD2 ARG 4 2HD ARG 4 1.406 -1.054 -4.897 28 HD3 ARG 4 1HD ARG 4 2.572 -0.277 -5.976 29 HE ARG 4 HE ARG 4 3.357 -2.440 -6.665 30 HH11 ARG 4 1HH2 ARG 4 1.003 -2.635 -4.107 31 HH12 ARG 4 2HH2 ARG 4 0.569 -4.269 -4.465 32 HH21 ARG 4 1HH1 ARG 4 2.808 -4.584 -7.095 33 HH22 ARG 4 2HH1 ARG 4 1.610 -5.378 -6.131 34 H CYS 5 H CYS 5 2.785 1.164 -1.666 35 HA CYS 5 HA CYS 5 0.190 0.133 -2.236 36 HB2 CYS 5 2HB CYS 5 1.437 -0.004 -0.070 37 HB3 CYS 5 1HB CYS 5 1.111 1.709 0.184 38 H CYS 6 H CYS 6 0.927 3.441 -0.996 39 HA CYS 6 HA CYS 6 -1.702 4.446 -1.580 40 HB2 CYS 6 2HB CYS 6 0.776 6.176 -1.529 41 HB3 CYS 6 1HB CYS 6 -0.838 6.527 -0.923 42 H LYS 7 H LYS 7 1.271 4.268 -3.518 43 HA LYS 7 HA LYS 7 0.621 6.026 -5.635 44 HB2 LYS 7 2HB LYS 7 2.307 3.627 -5.198 45 HB3 LYS 7 1HB LYS 7 1.932 3.983 -6.879 46 HG2 LYS 7 2HG LYS 7 3.249 5.821 -6.913 47 HG3 LYS 7 1HG LYS 7 2.680 6.366 -5.336 48 HD2 LYS 7 2HD LYS 7 4.972 5.869 -5.011 49 HD3 LYS 7 1HD LYS 7 4.110 4.487 -4.348 50 HE2 LYS 7 2HE LYS 7 5.351 3.162 -5.726 51 HE3 LYS 7 1HE LYS 7 4.489 3.891 -7.095 52 HZ1 LYS 7 3HZ LYS 7 6.923 4.210 -7.189 53 HZ2 LYS 7 1HZ LYS 7 6.844 5.126 -5.753 54 HZ3 LYS 7 2HZ LYS 7 6.055 5.665 -7.172 55 H ASN 8 H ASN 8 -0.640 2.855 -4.886 56 HA ASN 8 HA ASN 8 -2.216 2.875 -7.437 57 HB2 ASN 8 2HB ASN 8 -0.651 0.888 -5.937 58 HB3 ASN 8 1HB ASN 8 -2.209 0.304 -6.491 59 HD21 ASN 8 1HD2 ASN 8 0.971 0.748 -7.447 60 HD22 ASN 8 2HD2 ASN 8 0.730 0.653 -9.116 61 H GLY 9 H GLY 9 -2.574 3.264 -4.077 62 HA2 GLY 9 2HA GLY 9 -4.457 3.208 -2.677 63 HA3 GLY 9 1HA GLY 9 -5.417 3.337 -4.150 64 H LYS 10 H LYS 10 -6.806 1.652 -4.388 65 HA LYS 10 HA LYS 10 -6.738 -0.752 -2.849 66 HB2 LYS 10 2HB LYS 10 -8.030 0.037 -5.470 67 HB3 LYS 10 1HB LYS 10 -8.326 -1.530 -4.716 68 HG2 LYS 10 2HG LYS 10 -8.961 -0.251 -2.599 69 HG3 LYS 10 1HG LYS 10 -8.948 1.210 -3.591 70 HD2 LYS 10 2HD LYS 10 -10.748 0.476 -4.918 71 HD3 LYS 10 1HD LYS 10 -10.546 -1.206 -4.428 72 HE2 LYS 10 2HE LYS 10 -11.209 0.875 -2.349 73 HE3 LYS 10 1HE LYS 10 -12.499 0.181 -3.355 74 HZ1 LYS 10 3HZ LYS 10 -10.548 -1.684 -2.236 75 HZ2 LYS 10 1HZ LYS 10 -12.210 -1.874 -2.482 76 HZ3 LYS 10 2HZ LYS 10 -11.659 -0.992 -1.151 77 H ARG 11 H ARG 11 -5.225 0.110 -5.922 78 HA ARG 11 HA ARG 11 -4.430 -2.622 -6.596 79 HB2 ARG 11 2HB ARG 11 -3.527 0.122 -7.522 80 HB3 ARG 11 1HB ARG 11 -2.986 -1.384 -8.253 81 HG2 ARG 11 2HG ARG 11 -5.781 -1.592 -8.110 82 HG3 ARG 11 1HG ARG 11 -5.456 0.049 -8.668 83 HD2 ARG 11 2HD ARG 11 -3.649 -1.656 -10.072 84 HD3 ARG 11 1HD ARG 11 -5.255 -2.404 -10.167 85 HE ARG 11 HE ARG 11 -6.103 -0.401 -11.187 86 HH11 ARG 11 1HH2 ARG 11 -2.711 -0.176 -10.381 87 HH12 ARG 11 2HH2 ARG 11 -2.431 1.154 -11.447 88 HH21 ARG 11 1HH1 ARG 11 -5.703 1.333 -12.580 89 HH22 ARG 11 2HH1 ARG 11 -4.111 2.006 -12.682 90 H GLY 12 H GLY 12 -3.267 -0.148 -4.512 91 HA2 GLY 12 2HA GLY 12 -0.544 -1.260 -4.393 92 HA3 GLY 12 1HA GLY 12 -1.128 0.146 -3.499 93 H CYS 13 H CYS 13 -3.586 -1.714 -2.861 94 HA CYS 13 HA CYS 13 -2.812 -2.453 -0.214 95 HB2 CYS 13 2HB CYS 13 -5.127 -2.175 -1.637 96 HB3 CYS 13 1HB CYS 13 -5.009 -3.932 -1.570 97 H GLY 14 H GLY 14 -3.111 -4.897 0.480 98 HA2 GLY 14 2HA GLY 14 -2.849 -7.244 -0.449 99 HA3 GLY 14 1HA GLY 14 -1.532 -6.588 -1.418 100 H ARG 15 H ARG 15 -1.092 -8.712 0.347 101 HA ARG 15 HA ARG 15 -0.275 -8.224 2.965 102 HB2 ARG 15 2HB ARG 15 1.397 -10.040 2.537 103 HB3 ARG 15 1HB ARG 15 -0.212 -10.421 1.915 104 HG2 ARG 15 2HG ARG 15 0.655 -9.378 -0.316 105 HG3 ARG 15 1HG ARG 15 2.262 -9.622 0.378 106 HD2 ARG 15 2HD ARG 15 0.165 -11.802 0.076 107 HD3 ARG 15 1HD ARG 15 1.551 -11.564 -1.011 108 HE ARG 15 HE ARG 15 2.725 -11.605 1.489 109 HH11 ARG 15 1HH2 ARG 15 0.524 -13.711 -0.203 110 HH12 ARG 15 2HH2 ARG 15 1.104 -15.141 0.570 111 HH21 ARG 15 1HH1 ARG 15 3.450 -13.476 2.521 112 HH22 ARG 15 2HH1 ARG 15 2.753 -15.008 2.122 113 H TRP 16 H TRP 16 1.653 -7.581 0.012 114 HA TRP 16 HA TRP 16 4.051 -6.706 1.219 115 HB2 TRP 16 2HB TRP 16 3.487 -7.042 -1.231 116 HB3 TRP 16 1HB TRP 16 2.697 -5.464 -1.183 117 HD1 TRP 16 HD TRP 16 6.109 -7.122 -0.876 118 HE1 TRP 16 1HE TRP 16 7.928 -5.366 -1.214 119 HE3 TRP 16 3HE TRP 16 3.227 -2.920 -1.024 120 HZ2 TRP 16 2HZ TRP 16 8.152 -2.514 -1.529 121 HZ3 TRP 16 3HZ TRP 16 4.272 -0.699 -1.345 122 HH2 TRP 16 HH TRP 16 6.721 -0.486 -1.597 123 H CYS 17 H CYS 17 1.393 -4.558 0.096 124 HA CYS 17 HA CYS 17 2.345 -2.229 1.452 125 HB2 CYS 17 2HB CYS 17 0.712 -1.935 -0.223 126 HB3 CYS 17 1HB CYS 17 -0.309 -3.205 0.420 127 H ARG 18 H ARG 18 -0.044 -4.689 2.409 128 HA ARG 18 HA ARG 18 -0.913 -3.704 4.880 129 HB2 ARG 18 2HB ARG 18 -1.405 -5.896 3.573 130 HB3 ARG 18 1HB ARG 18 -0.062 -6.572 4.481 131 HG2 ARG 18 2HG ARG 18 -1.295 -5.608 6.570 132 HG3 ARG 18 1HG ARG 18 -2.705 -5.558 5.512 133 HD2 ARG 18 2HD ARG 18 -1.100 -8.084 5.550 134 HD3 ARG 18 1HD ARG 18 -2.152 -7.745 6.940 135 HE ARG 18 HE ARG 18 -3.802 -7.162 4.833 136 HH11 ARG 18 1HH2 ARG 18 -1.748 -9.886 5.554 137 HH12 ARG 18 2HH2 ARG 18 -2.751 -11.020 4.725 138 HH21 ARG 18 1HH1 ARG 18 -5.088 -8.650 3.718 139 HH22 ARG 18 2HH1 ARG 18 -4.627 -10.319 3.667 140 H ASP 19 H ASP 19 2.093 -5.539 4.232 141 HA ASP 19 HA ASP 19 2.958 -5.119 7.036 142 HB2 ASP 19 2HB ASP 19 3.139 -7.181 5.210 143 HB3 ASP 19 1HB ASP 19 4.761 -6.489 5.177 144 H HIS 20 H HIS 20 3.721 -3.980 3.801 145 HA HIS 20 HA HIS 20 6.175 -2.600 4.806 146 HB2 HIS 20 2HB HIS 20 5.109 -3.137 2.016 147 HB3 HIS 20 1HB HIS 20 6.658 -2.385 2.372 148 HD1 HIS 20 1HD HIS 20 4.815 -5.669 2.838 149 HD2 HIS 20 2HD HIS 20 8.709 -4.197 2.894 150 HE1 HIS 20 1HE HIS 20 6.337 -7.686 2.951 151 H SER 21 H SER 21 2.961 -1.779 4.580 152 HA SER 21 HA SER 21 3.685 1.058 4.004 153 HB2 SER 21 2HB SER 21 2.969 -0.332 1.940 154 HB3 SER 21 1HB SER 21 1.368 -0.335 2.666 155 HG SER 21 HG SER 21 2.932 1.919 1.913 156 H ARG 22 H ARG 22 2.616 2.419 5.361 157 HA ARG 22 HA ARG 22 0.348 1.390 6.999 158 HB2 ARG 22 2HB ARG 22 1.855 4.038 7.054 159 HB3 ARG 22 1HB ARG 22 0.760 3.440 8.298 160 HG2 ARG 22 2HG ARG 22 3.359 2.104 7.471 161 HG3 ARG 22 1HG ARG 22 3.121 3.064 8.928 162 HD2 ARG 22 2HD ARG 22 1.034 1.261 9.119 163 HD3 ARG 22 1HD ARG 22 2.327 0.278 8.401 164 HE ARG 22 HE ARG 22 3.341 1.942 10.548 165 HH11 ARG 22 1HH2 ARG 22 1.558 -0.936 9.810 166 HH12 ARG 22 2HH2 ARG 22 1.990 -1.747 11.277 167 HH21 ARG 22 1HH1 ARG 22 3.954 0.885 12.472 168 HH22 ARG 22 2HH1 ARG 22 3.367 -0.711 12.799 169 H CYS 23 H CYS 23 -0.374 1.508 4.398 170 HA CYS 23 HA CYS 23 -1.888 4.085 4.071 171 HB2 CYS 23 2HB CYS 23 0.143 3.160 2.559 172 HB3 CYS 23 1HB CYS 23 -1.180 2.304 1.782 173 H CYS 24 H CYS 24 -1.898 0.570 3.303 174 HA CYS 24 HA CYS 24 -4.885 0.656 3.114 175 HB2 CYS 24 2HB CYS 24 -2.997 -0.330 1.380 176 HB3 CYS 24 1HB CYS 24 -3.367 -1.770 2.322 177 HN1 NH2 25 2H CYS 24 -4.052 -0.800 6.499 178 HN2 NH2 25 1H CYS 24 -3.803 0.709 5.768 Start of MODEL 3 1 H1 VAL 1 1HT VAL 1 9.914 -0.863 2.454 2 H2 VAL 1 2HT VAL 1 10.251 0.743 2.870 3 H3 VAL 1 3HT VAL 1 11.371 -0.150 1.963 4 HA VAL 1 HA VAL 1 9.864 1.548 0.763 5 HB VAL 1 HB VAL 1 11.421 -0.017 -0.298 6 HG11 VAL 1 2HG1 VAL 1 9.222 -2.069 0.083 7 HG12 VAL 1 3HG1 VAL 1 10.811 -2.067 0.847 8 HG13 VAL 1 1HG1 VAL 1 10.671 -2.316 -0.890 9 HG21 VAL 1 1HG2 VAL 1 8.906 -0.587 -1.804 10 HG22 VAL 1 2HG2 VAL 1 10.463 -0.007 -2.387 11 HG23 VAL 1 3HG2 VAL 1 9.367 1.098 -1.566 12 H GLY 2 H GLY 2 7.701 2.081 0.614 13 HA2 GLY 2 2HA GLY 2 5.673 -0.020 0.380 14 HA3 GLY 2 1HA GLY 2 5.598 0.863 1.890 15 H GLU 3 H GLU 3 6.638 2.623 -0.943 16 HA GLU 3 HA GLU 3 4.399 4.444 -0.686 17 HB2 GLU 3 2HB GLU 3 5.434 5.417 -2.793 18 HB3 GLU 3 1HB GLU 3 6.516 5.300 -1.410 19 HG2 GLU 3 2HG GLU 3 7.644 3.430 -2.307 20 HG3 GLU 3 1HG GLU 3 6.357 3.096 -3.462 21 H ARG 4 H ARG 4 5.181 1.778 -2.856 22 HA ARG 4 HA ARG 4 3.336 2.090 -4.922 23 HB2 ARG 4 2HB ARG 4 4.332 0.119 -5.377 24 HB3 ARG 4 1HB ARG 4 4.957 0.053 -3.738 25 HG2 ARG 4 2HG ARG 4 3.730 -1.912 -3.846 26 HG3 ARG 4 1HG ARG 4 2.549 -0.809 -3.147 27 HD2 ARG 4 2HD ARG 4 1.232 -1.597 -4.859 28 HD3 ARG 4 1HD ARG 4 2.105 -0.374 -5.801 29 HE ARG 4 HE ARG 4 3.810 -2.222 -6.275 30 HH11 ARG 4 1HH2 ARG 4 0.448 -2.935 -5.596 31 HH12 ARG 4 2HH2 ARG 4 0.511 -4.473 -6.364 32 HH21 ARG 4 1HH1 ARG 4 3.837 -4.234 -7.293 33 HH22 ARG 4 2HH1 ARG 4 2.405 -5.203 -7.331 34 H CYS 5 H CYS 5 2.700 1.088 -1.579 35 HA CYS 5 HA CYS 5 0.036 0.131 -1.935 36 HB2 CYS 5 2HB CYS 5 1.426 -0.148 0.096 37 HB3 CYS 5 1HB CYS 5 1.299 1.584 0.412 38 H CYS 6 H CYS 6 1.108 3.396 -0.847 39 HA CYS 6 HA CYS 6 -1.541 4.548 -1.155 40 HB2 CYS 6 2HB CYS 6 0.917 5.204 0.018 41 HB3 CYS 6 1HB CYS 6 0.735 6.396 -1.268 42 H LYS 7 H LYS 7 1.290 4.156 -3.233 43 HA LYS 7 HA LYS 7 0.707 6.060 -5.264 44 HB2 LYS 7 2HB LYS 7 2.070 3.361 -5.238 45 HB3 LYS 7 1HB LYS 7 2.030 4.378 -6.675 46 HG2 LYS 7 2HG LYS 7 2.845 5.890 -4.322 47 HG3 LYS 7 1HG LYS 7 3.907 4.509 -4.609 48 HD2 LYS 7 2HD LYS 7 3.115 6.514 -6.742 49 HD3 LYS 7 1HD LYS 7 4.621 6.594 -5.822 50 HE2 LYS 7 2HE LYS 7 4.393 3.922 -6.798 51 HE3 LYS 7 1HE LYS 7 4.055 5.008 -8.160 52 HZ1 LYS 7 3HZ LYS 7 6.408 4.741 -7.982 53 HZ2 LYS 7 1HZ LYS 7 6.397 5.100 -6.319 54 HZ3 LYS 7 2HZ LYS 7 6.037 6.310 -7.463 55 H ASN 8 H ASN 8 -0.422 2.731 -4.824 56 HA ASN 8 HA ASN 8 -2.145 3.027 -7.261 57 HB2 ASN 8 2HB ASN 8 -0.519 0.923 -6.013 58 HB3 ASN 8 1HB ASN 8 -2.098 0.366 -6.547 59 HD21 ASN 8 1HD2 ASN 8 1.017 0.708 -7.646 60 HD22 ASN 8 2HD2 ASN 8 0.687 0.861 -9.302 61 H GLY 9 H GLY 9 -2.442 3.090 -3.881 62 HA2 GLY 9 2HA GLY 9 -4.294 2.878 -2.453 63 HA3 GLY 9 1HA GLY 9 -5.272 3.210 -3.878 64 H LYS 10 H LYS 10 -6.624 1.592 -4.479 65 HA LYS 10 HA LYS 10 -6.829 -0.895 -3.120 66 HB2 LYS 10 2HB LYS 10 -7.751 -0.011 -5.878 67 HB3 LYS 10 1HB LYS 10 -8.327 -1.463 -5.055 68 HG2 LYS 10 2HG LYS 10 -8.940 0.078 -3.096 69 HG3 LYS 10 1HG LYS 10 -8.690 1.417 -4.215 70 HD2 LYS 10 2HD LYS 10 -10.287 -0.110 -5.750 71 HD3 LYS 10 1HD LYS 10 -10.850 -0.630 -4.160 72 HE2 LYS 10 2HE LYS 10 -12.227 1.255 -4.646 73 HE3 LYS 10 1HE LYS 10 -10.957 1.926 -3.611 74 HZ1 LYS 10 3HZ LYS 10 -11.483 2.435 -6.374 75 HZ2 LYS 10 1HZ LYS 10 -9.873 1.966 -6.129 76 HZ3 LYS 10 2HZ LYS 10 -10.509 3.299 -5.290 77 H ARG 11 H ARG 11 -4.954 0.030 -5.968 78 HA ARG 11 HA ARG 11 -4.184 -2.752 -6.580 79 HB2 ARG 11 2HB ARG 11 -3.395 -0.011 -7.606 80 HB3 ARG 11 1HB ARG 11 -2.651 -1.491 -8.205 81 HG2 ARG 11 2HG ARG 11 -5.613 -1.493 -8.117 82 HG3 ARG 11 1HG ARG 11 -4.880 -0.403 -9.290 83 HD2 ARG 11 2HD ARG 11 -3.747 -3.162 -9.146 84 HD3 ARG 11 1HD ARG 11 -5.350 -2.996 -9.872 85 HE ARG 11 HE ARG 11 -4.367 -1.269 -11.399 86 HH11 ARG 11 1HH2 ARG 11 -2.177 -3.431 -9.712 87 HH12 ARG 11 2HH2 ARG 11 -0.929 -3.256 -10.885 88 HH21 ARG 11 1HH1 ARG 11 -2.704 -1.070 -12.907 89 HH22 ARG 11 2HH1 ARG 11 -1.217 -1.923 -12.679 90 H GLY 12 H GLY 12 -3.224 -0.303 -4.442 91 HA2 GLY 12 2HA GLY 12 -0.443 -1.245 -4.154 92 HA3 GLY 12 1HA GLY 12 -1.178 0.106 -3.284 93 H CYS 13 H CYS 13 -3.600 -1.548 -2.661 94 HA CYS 13 HA CYS 13 -2.899 -2.496 -0.074 95 HB2 CYS 13 2HB CYS 13 -5.208 -2.544 -1.933 96 HB3 CYS 13 1HB CYS 13 -5.214 -3.817 -0.714 97 H GLY 14 H GLY 14 -2.623 -4.669 0.700 98 HA2 GLY 14 2HA GLY 14 -2.888 -7.123 -0.313 99 HA3 GLY 14 1HA GLY 14 -1.576 -6.545 -1.344 100 H ARG 15 H ARG 15 -1.086 -8.710 0.297 101 HA ARG 15 HA ARG 15 -0.166 -8.398 2.905 102 HB2 ARG 15 2HB ARG 15 1.507 -10.168 2.241 103 HB3 ARG 15 1HB ARG 15 -0.148 -10.515 1.743 104 HG2 ARG 15 2HG ARG 15 0.772 -9.128 -0.434 105 HG3 ARG 15 1HG ARG 15 2.239 -9.945 0.095 106 HD2 ARG 15 2HD ARG 15 -0.421 -11.333 -0.411 107 HD3 ARG 15 1HD ARG 15 0.965 -11.338 -1.520 108 HE ARG 15 HE ARG 15 1.582 -12.177 1.236 109 HH11 ARG 15 1HH2 ARG 15 0.655 -13.119 -1.987 110 HH12 ARG 15 2HH2 ARG 15 1.307 -14.710 -1.835 111 HH21 ARG 15 1HH1 ARG 15 2.408 -14.268 1.418 112 HH22 ARG 15 2HH1 ARG 15 2.298 -15.359 0.082 113 H TRP 16 H TRP 16 1.589 -7.484 -0.074 114 HA TRP 16 HA TRP 16 4.070 -6.722 1.115 115 HB2 TRP 16 2HB TRP 16 3.456 -6.947 -1.335 116 HB3 TRP 16 1HB TRP 16 2.633 -5.390 -1.200 117 HD1 TRP 16 HD TRP 16 6.082 -6.999 -1.036 118 HE1 TRP 16 1HE TRP 16 7.870 -5.202 -1.333 119 HE3 TRP 16 3HE TRP 16 3.152 -2.821 -0.919 120 HZ2 TRP 16 2HZ TRP 16 8.060 -2.338 -1.518 121 HZ3 TRP 16 3HZ TRP 16 4.167 -0.577 -1.155 122 HH2 TRP 16 HH TRP 16 6.612 -0.335 -1.455 123 H CYS 17 H CYS 17 1.385 -4.529 0.140 124 HA CYS 17 HA CYS 17 2.356 -2.243 1.542 125 HB2 CYS 17 2HB CYS 17 0.647 -1.902 -0.045 126 HB3 CYS 17 1HB CYS 17 -0.348 -3.188 0.610 127 H ARG 18 H ARG 18 0.075 -4.774 2.547 128 HA ARG 18 HA ARG 18 -0.668 -3.819 5.086 129 HB2 ARG 18 2HB ARG 18 -0.217 -6.497 3.820 130 HB3 ARG 18 1HB ARG 18 -0.543 -6.442 5.555 131 HG2 ARG 18 2HG ARG 18 -2.654 -5.411 5.250 132 HG3 ARG 18 1HG ARG 18 -2.272 -4.930 3.595 133 HD2 ARG 18 2HD ARG 18 -3.700 -6.810 3.306 134 HD3 ARG 18 1HD ARG 18 -2.080 -7.501 3.137 135 HE ARG 18 HE ARG 18 -2.277 -8.461 5.319 136 HH11 ARG 18 1HH2 ARG 18 -4.965 -6.405 4.508 137 HH12 ARG 18 2HH2 ARG 18 -5.968 -7.002 5.778 138 HH21 ARG 18 1HH1 ARG 18 -3.593 -9.229 7.001 139 HH22 ARG 18 2HH1 ARG 18 -5.193 -8.594 7.197 140 H ASP 19 H ASP 19 2.308 -5.640 4.247 141 HA ASP 19 HA ASP 19 3.321 -5.295 7.028 142 HB2 ASP 19 2HB ASP 19 3.373 -7.386 5.390 143 HB3 ASP 19 1HB ASP 19 4.842 -6.604 4.812 144 H HIS 20 H HIS 20 3.899 -4.020 3.791 145 HA HIS 20 HA HIS 20 6.389 -2.639 4.736 146 HB2 HIS 20 2HB HIS 20 5.237 -3.118 1.965 147 HB3 HIS 20 1HB HIS 20 6.802 -2.397 2.300 148 HD1 HIS 20 1HD HIS 20 4.915 -5.649 2.756 149 HD2 HIS 20 2HD HIS 20 8.844 -4.275 2.692 150 HE1 HIS 20 1HE HIS 20 6.394 -7.703 2.761 151 H SER 21 H SER 21 3.086 -1.924 4.327 152 HA SER 21 HA SER 21 3.722 0.971 3.863 153 HB2 SER 21 2HB SER 21 1.526 -0.734 2.668 154 HB3 SER 21 1HB SER 21 1.719 0.980 2.393 155 HG SER 21 HG SER 21 4.037 -0.301 1.896 156 H ARG 22 H ARG 22 1.900 2.407 4.482 157 HA ARG 22 HA ARG 22 0.136 1.288 6.631 158 HB2 ARG 22 2HB ARG 22 1.585 3.967 6.600 159 HB3 ARG 22 1HB ARG 22 0.613 3.320 7.920 160 HG2 ARG 22 2HG ARG 22 2.296 1.291 7.775 161 HG3 ARG 22 1HG ARG 22 3.338 2.473 6.981 162 HD2 ARG 22 2HD ARG 22 2.066 2.796 9.726 163 HD3 ARG 22 1HD ARG 22 3.787 2.495 9.401 164 HE ARG 22 HE ARG 22 3.406 4.699 7.880 165 HH11 ARG 22 1HH2 ARG 22 2.345 3.957 11.109 166 HH12 ARG 22 2HH2 ARG 22 2.314 5.611 11.616 167 HH21 ARG 22 1HH1 ARG 22 3.338 6.866 8.536 168 HH22 ARG 22 2HH1 ARG 22 2.882 7.264 10.155 169 H CYS 23 H CYS 23 -0.169 2.093 3.654 170 HA CYS 23 HA CYS 23 -2.342 4.133 3.996 171 HB2 CYS 23 2HB CYS 23 -0.329 4.905 2.773 172 HB3 CYS 23 1HB CYS 23 -0.471 3.537 1.674 173 H CYS 24 H CYS 24 -3.218 1.645 4.477 174 HA CYS 24 HA CYS 24 -5.045 1.061 2.294 175 HB2 CYS 24 2HB CYS 24 -2.421 -0.122 2.300 176 HB3 CYS 24 1HB CYS 24 -3.613 -1.395 2.537 177 HN1 NH2 25 2H CYS 24 -6.250 0.135 5.675 178 HN2 NH2 25 1H CYS 24 -5.870 1.548 4.822 Start of MODEL 4 1 H1 VAL 1 1HT VAL 1 9.928 -0.729 2.553 2 H2 VAL 1 2HT VAL 1 10.243 0.880 2.993 3 H3 VAL 1 3HT VAL 1 11.379 0.001 2.090 4 HA VAL 1 HA VAL 1 9.849 1.705 0.883 5 HB VAL 1 HB VAL 1 11.471 0.266 -0.211 6 HG11 VAL 1 2HG1 VAL 1 11.359 -1.880 0.618 7 HG12 VAL 1 3HG1 VAL 1 10.455 -2.127 -0.872 8 HG13 VAL 1 1HG1 VAL 1 9.600 -1.899 0.651 9 HG21 VAL 1 1HG2 VAL 1 10.444 0.006 -2.303 10 HG22 VAL 1 2HG2 VAL 1 9.451 1.232 -1.521 11 HG23 VAL 1 3HG2 VAL 1 8.890 -0.439 -1.597 12 H GLY 2 H GLY 2 7.692 2.174 0.740 13 HA2 GLY 2 2HA GLY 2 5.731 0.002 0.438 14 HA3 GLY 2 1HA GLY 2 5.556 0.960 1.892 15 H GLU 3 H GLU 3 6.761 2.894 -0.654 16 HA GLU 3 HA GLU 3 4.514 4.611 -0.760 17 HB2 GLU 3 2HB GLU 3 5.666 5.502 -2.787 18 HB3 GLU 3 1HB GLU 3 6.781 5.237 -1.449 19 HG2 GLU 3 2HG GLU 3 7.413 3.047 -2.430 20 HG3 GLU 3 1HG GLU 3 6.336 3.357 -3.788 21 H ARG 4 H ARG 4 5.307 1.789 -2.712 22 HA ARG 4 HA ARG 4 3.624 2.004 -4.908 23 HB2 ARG 4 2HB ARG 4 4.172 -0.372 -3.121 24 HB3 ARG 4 1HB ARG 4 3.485 -0.491 -4.740 25 HG2 ARG 4 2HG ARG 4 6.172 0.741 -4.059 26 HG3 ARG 4 1HG ARG 4 5.927 -0.861 -4.743 27 HD2 ARG 4 2HD ARG 4 4.641 1.403 -6.201 28 HD3 ARG 4 1HD ARG 4 6.405 1.261 -6.300 29 HE ARG 4 HE ARG 4 4.685 -1.132 -6.790 30 HH11 ARG 4 1HH2 ARG 4 7.111 1.166 -7.846 31 HH12 ARG 4 2HH2 ARG 4 7.570 0.226 -9.217 32 HH21 ARG 4 1HH1 ARG 4 5.306 -2.349 -8.584 33 HH22 ARG 4 2HH1 ARG 4 6.547 -1.764 -9.639 34 H CYS 5 H CYS 5 2.697 1.104 -1.588 35 HA CYS 5 HA CYS 5 0.003 0.368 -2.173 36 HB2 CYS 5 2HB CYS 5 1.387 0.027 -0.056 37 HB3 CYS 5 1HB CYS 5 0.978 1.692 0.354 38 H CYS 6 H CYS 6 1.268 3.537 -0.971 39 HA CYS 6 HA CYS 6 -1.242 4.934 -1.217 40 HB2 CYS 6 2HB CYS 6 1.669 5.783 -1.255 41 HB3 CYS 6 1HB CYS 6 0.349 6.938 -1.323 42 H LYS 7 H LYS 7 1.457 4.377 -3.471 43 HA LYS 7 HA LYS 7 0.570 6.117 -5.574 44 HB2 LYS 7 2HB LYS 7 2.594 4.093 -5.047 45 HB3 LYS 7 1HB LYS 7 1.975 3.958 -6.693 46 HG2 LYS 7 2HG LYS 7 2.896 5.926 -7.339 47 HG3 LYS 7 1HG LYS 7 2.508 6.723 -5.815 48 HD2 LYS 7 2HD LYS 7 4.797 6.620 -5.585 49 HD3 LYS 7 1HD LYS 7 4.395 5.045 -4.909 50 HE2 LYS 7 2HE LYS 7 5.271 3.904 -6.699 51 HE3 LYS 7 1HE LYS 7 4.719 5.120 -7.866 52 HZ1 LYS 7 3HZ LYS 7 6.422 6.645 -6.810 53 HZ2 LYS 7 1HZ LYS 7 7.033 5.380 -7.757 54 HZ3 LYS 7 2HZ LYS 7 7.077 5.259 -6.059 55 H ASN 8 H ASN 8 -0.299 2.817 -4.723 56 HA ASN 8 HA ASN 8 -1.868 2.560 -7.248 57 HB2 ASN 8 2HB ASN 8 -0.447 0.775 -5.362 58 HB3 ASN 8 1HB ASN 8 -1.900 0.118 -6.094 59 HD21 ASN 8 1HD2 ASN 8 1.389 0.482 -6.588 60 HD22 ASN 8 2HD2 ASN 8 1.407 0.275 -8.268 61 H GLY 9 H GLY 9 -2.334 3.030 -3.846 62 HA2 GLY 9 2HA GLY 9 -4.278 3.080 -2.547 63 HA3 GLY 9 1HA GLY 9 -5.128 3.413 -4.048 64 H LYS 10 H LYS 10 -6.551 1.854 -4.723 65 HA LYS 10 HA LYS 10 -7.136 -0.490 -3.217 66 HB2 LYS 10 2HB LYS 10 -7.606 0.265 -6.119 67 HB3 LYS 10 1HB LYS 10 -8.365 -1.126 -5.348 68 HG2 LYS 10 2HG LYS 10 -9.894 0.173 -4.301 69 HG3 LYS 10 1HG LYS 10 -8.656 1.297 -3.743 70 HD2 LYS 10 2HD LYS 10 -10.072 2.566 -5.200 71 HD3 LYS 10 1HD LYS 10 -8.601 2.229 -6.113 72 HE2 LYS 10 2HE LYS 10 -10.508 1.768 -7.569 73 HE3 LYS 10 1HE LYS 10 -9.779 0.215 -7.119 74 HZ1 LYS 10 3HZ LYS 10 -12.324 0.561 -6.813 75 HZ2 LYS 10 1HZ LYS 10 -11.876 1.392 -5.411 76 HZ3 LYS 10 2HZ LYS 10 -11.441 -0.236 -5.603 77 H ARG 11 H ARG 11 -4.928 0.054 -5.918 78 HA ARG 11 HA ARG 11 -4.289 -2.784 -6.262 79 HB2 ARG 11 2HB ARG 11 -3.030 -0.201 -7.249 80 HB3 ARG 11 1HB ARG 11 -2.518 -1.803 -7.767 81 HG2 ARG 11 2HG ARG 11 -4.557 -2.241 -8.856 82 HG3 ARG 11 1HG ARG 11 -5.399 -0.962 -7.983 83 HD2 ARG 11 2HD ARG 11 -5.040 -0.024 -10.141 84 HD3 ARG 11 1HD ARG 11 -3.725 0.651 -9.165 85 HE ARG 11 HE ARG 11 -2.180 -0.800 -10.269 86 HH11 ARG 11 1HH2 ARG 11 -5.495 -1.544 -11.061 87 HH12 ARG 11 2HH2 ARG 11 -5.077 -2.558 -12.396 88 HH21 ARG 11 1HH1 ARG 11 -1.651 -2.137 -12.028 89 HH22 ARG 11 2HH1 ARG 11 -2.911 -2.909 -12.931 90 H GLY 12 H GLY 12 -3.305 -0.232 -4.197 91 HA2 GLY 12 2HA GLY 12 -0.651 -1.204 -3.563 92 HA3 GLY 12 1HA GLY 12 -1.561 0.005 -2.659 93 H CYS 13 H CYS 13 -3.867 -1.423 -2.037 94 HA CYS 13 HA CYS 13 -3.311 -2.786 0.321 95 HB2 CYS 13 2HB CYS 13 -5.510 -2.922 -1.728 96 HB3 CYS 13 1HB CYS 13 -5.550 -4.006 -0.340 97 H GLY 14 H GLY 14 -2.530 -4.804 0.842 98 HA2 GLY 14 2HA GLY 14 -2.786 -7.254 -0.311 99 HA3 GLY 14 1HA GLY 14 -1.537 -6.520 -1.325 100 H ARG 15 H ARG 15 -0.957 -8.762 0.265 101 HA ARG 15 HA ARG 15 0.018 -8.488 2.841 102 HB2 ARG 15 2HB ARG 15 0.066 -10.556 1.576 103 HB3 ARG 15 1HB ARG 15 1.194 -9.873 0.406 104 HG2 ARG 15 2HG ARG 15 2.755 -10.917 1.708 105 HG3 ARG 15 1HG ARG 15 2.589 -9.468 2.699 106 HD2 ARG 15 2HD ARG 15 2.378 -11.457 4.130 107 HD3 ARG 15 1HD ARG 15 0.796 -10.657 4.026 108 HE ARG 15 HE ARG 15 0.863 -12.450 1.868 109 HH11 ARG 15 1HH2 ARG 15 1.060 -12.585 5.344 110 HH12 ARG 15 2HH2 ARG 15 0.399 -14.177 5.443 111 HH21 ARG 15 1HH1 ARG 15 -0.006 -14.527 2.007 112 HH22 ARG 15 2HH1 ARG 15 -0.192 -15.279 3.555 113 H TRP 16 H TRP 16 1.871 -7.606 -0.137 114 HA TRP 16 HA TRP 16 4.245 -6.698 1.119 115 HB2 TRP 16 2HB TRP 16 3.721 -6.974 -1.353 116 HB3 TRP 16 1HB TRP 16 2.871 -5.428 -1.263 117 HD1 TRP 16 HD TRP 16 6.340 -6.964 -0.974 118 HE1 TRP 16 1HE TRP 16 8.107 -5.135 -1.183 119 HE3 TRP 16 3HE TRP 16 3.320 -2.833 -0.957 120 HZ2 TRP 16 2HZ TRP 16 8.237 -2.258 -1.337 121 HZ3 TRP 16 3HZ TRP 16 4.304 -0.580 -1.136 122 HH2 TRP 16 HH TRP 16 6.745 -0.281 -1.334 123 H CYS 17 H CYS 17 1.559 -4.572 0.003 124 HA CYS 17 HA CYS 17 2.462 -2.247 1.382 125 HB2 CYS 17 2HB CYS 17 0.824 -1.911 -0.261 126 HB3 CYS 17 1HB CYS 17 -0.146 -3.260 0.297 127 H ARG 18 H ARG 18 0.072 -4.724 2.336 128 HA ARG 18 HA ARG 18 -0.788 -3.707 4.798 129 HB2 ARG 18 2HB ARG 18 -0.367 -6.387 3.574 130 HB3 ARG 18 1HB ARG 18 -0.627 -6.368 5.317 131 HG2 ARG 18 2HG ARG 18 -2.730 -5.303 5.114 132 HG3 ARG 18 1HG ARG 18 -2.414 -4.812 3.452 133 HD2 ARG 18 2HD ARG 18 -3.844 -6.643 3.163 134 HD3 ARG 18 1HD ARG 18 -2.255 -7.417 3.019 135 HE ARG 18 HE ARG 18 -2.526 -7.680 5.632 136 HH11 ARG 18 1HH2 ARG 18 -5.019 -7.941 3.217 137 HH12 ARG 18 2HH2 ARG 18 -6.002 -8.984 4.176 138 HH21 ARG 18 1HH1 ARG 18 -3.787 -9.101 6.838 139 HH22 ARG 18 2HH1 ARG 18 -5.305 -9.650 6.219 140 H ASP 19 H ASP 19 2.246 -5.505 4.180 141 HA ASP 19 HA ASP 19 3.058 -5.146 7.021 142 HB2 ASP 19 2HB ASP 19 3.284 -7.235 5.382 143 HB3 ASP 19 1HB ASP 19 4.772 -6.403 4.915 144 H HIS 20 H HIS 20 4.124 -4.230 3.746 145 HA HIS 20 HA HIS 20 6.427 -2.691 4.782 146 HB2 HIS 20 2HB HIS 20 5.299 -3.163 2.002 147 HB3 HIS 20 1HB HIS 20 6.848 -2.401 2.341 148 HD1 HIS 20 1HD HIS 20 5.051 -5.715 2.782 149 HD2 HIS 20 2HD HIS 20 8.931 -4.210 2.819 150 HE1 HIS 20 1HE HIS 20 6.593 -7.720 2.860 151 H SER 21 H SER 21 3.129 -1.998 4.169 152 HA SER 21 HA SER 21 3.751 0.925 3.981 153 HB2 SER 21 2HB SER 21 3.152 -0.357 1.797 154 HB3 SER 21 1HB SER 21 1.532 -0.457 2.475 155 HG SER 21 HG SER 21 3.046 1.860 1.833 156 H ARG 22 H ARG 22 1.931 2.280 4.610 157 HA ARG 22 HA ARG 22 -0.135 0.932 6.322 158 HB2 ARG 22 2HB ARG 22 1.361 3.530 6.843 159 HB3 ARG 22 1HB ARG 22 0.145 2.814 7.899 160 HG2 ARG 22 2HG ARG 22 2.460 1.085 7.144 161 HG3 ARG 22 1HG ARG 22 2.783 2.397 8.277 162 HD2 ARG 22 2HD ARG 22 1.255 1.540 9.885 163 HD3 ARG 22 1HD ARG 22 0.455 0.501 8.688 164 HE ARG 22 HE ARG 22 3.143 0.012 9.887 165 HH11 ARG 22 1HH2 ARG 22 0.614 -0.933 7.650 166 HH12 ARG 22 2HH2 ARG 22 1.211 -2.547 7.472 167 HH21 ARG 22 1HH1 ARG 22 3.888 -2.100 9.640 168 HH22 ARG 22 2HH1 ARG 22 3.061 -3.201 8.594 169 H CYS 23 H CYS 23 -0.401 1.554 3.603 170 HA CYS 23 HA CYS 23 -2.094 4.041 3.574 171 HB2 CYS 23 2HB CYS 23 0.150 3.487 2.176 172 HB3 CYS 23 1HB CYS 23 -1.025 2.734 1.105 173 H CYS 24 H CYS 24 -2.746 1.027 4.186 174 HA CYS 24 HA CYS 24 -5.040 0.840 2.272 175 HB2 CYS 24 2HB CYS 24 -3.305 -0.685 1.498 176 HB3 CYS 24 1HB CYS 24 -3.061 -1.297 3.128 177 HN1 NH2 25 2H CYS 24 -7.080 -0.224 4.986 178 HN2 NH2 25 1H CYS 24 -6.999 0.126 3.329 Start of MODEL 5 1 H1 VAL 1 1HT VAL 1 11.412 1.797 1.323 2 H2 VAL 1 2HT VAL 1 10.314 2.015 2.594 3 H3 VAL 1 3HT VAL 1 10.092 2.833 1.127 4 HA VAL 1 HA VAL 1 9.771 0.684 -0.010 5 HB VAL 1 HB VAL 1 9.703 -0.366 2.838 6 HG11 VAL 1 2HG1 VAL 1 8.501 -1.921 1.670 7 HG12 VAL 1 3HG1 VAL 1 10.112 -2.509 1.253 8 HG13 VAL 1 1HG1 VAL 1 9.224 -1.482 0.121 9 HG21 VAL 1 1HG2 VAL 1 12.001 0.076 2.543 10 HG22 VAL 1 2HG2 VAL 1 11.940 -0.249 0.811 11 HG23 VAL 1 3HG2 VAL 1 11.854 -1.584 1.959 12 H GLY 2 H GLY 2 7.556 -0.268 -0.018 13 HA2 GLY 2 2HA GLY 2 5.265 -0.346 0.709 14 HA3 GLY 2 1HA GLY 2 5.585 1.003 1.780 15 H GLU 3 H GLU 3 6.967 2.464 -0.492 16 HA GLU 3 HA GLU 3 5.178 4.314 -1.332 17 HB2 GLU 3 2HB GLU 3 6.589 4.322 -3.495 18 HB3 GLU 3 1HB GLU 3 7.433 4.521 -1.957 19 HG2 GLU 3 2HG GLU 3 7.213 1.731 -2.394 20 HG3 GLU 3 1HG GLU 3 7.734 2.443 -3.916 21 H ARG 4 H ARG 4 5.589 1.256 -3.149 22 HA ARG 4 HA ARG 4 3.721 1.781 -5.194 23 HB2 ARG 4 2HB ARG 4 4.301 -0.312 -5.820 24 HB3 ARG 4 1HB ARG 4 5.451 -0.205 -4.497 25 HG2 ARG 4 2HG ARG 4 4.469 -2.059 -3.690 26 HG3 ARG 4 1HG ARG 4 3.120 -1.030 -3.233 27 HD2 ARG 4 2HD ARG 4 2.406 -1.416 -5.781 28 HD3 ARG 4 1HD ARG 4 3.380 -2.885 -5.577 29 HE ARG 4 HE ARG 4 1.722 -2.668 -3.285 30 HH11 ARG 4 1HH2 ARG 4 1.477 -3.187 -6.719 31 HH12 ARG 4 2HH2 ARG 4 -0.017 -4.047 -6.606 32 HH21 ARG 4 1HH1 ARG 4 -0.215 -3.796 -3.141 33 HH22 ARG 4 2HH1 ARG 4 -0.983 -4.384 -4.573 34 H CYS 5 H CYS 5 3.055 1.148 -1.839 35 HA CYS 5 HA CYS 5 0.384 0.048 -2.242 36 HB2 CYS 5 2HB CYS 5 1.629 -0.376 -0.194 37 HB3 CYS 5 1HB CYS 5 1.770 1.351 0.127 38 H CYS 6 H CYS 6 1.305 3.196 -0.749 39 HA CYS 6 HA CYS 6 -1.244 4.424 -1.069 40 HB2 CYS 6 2HB CYS 6 1.359 5.072 -0.140 41 HB3 CYS 6 1HB CYS 6 0.912 6.331 -1.288 42 H LYS 7 H LYS 7 1.544 4.332 -3.310 43 HA LYS 7 HA LYS 7 0.626 6.197 -5.241 44 HB2 LYS 7 2HB LYS 7 2.626 4.147 -4.968 45 HB3 LYS 7 1HB LYS 7 1.863 3.965 -6.540 46 HG2 LYS 7 2HG LYS 7 2.940 6.585 -5.472 47 HG3 LYS 7 1HG LYS 7 3.826 5.521 -6.567 48 HD2 LYS 7 2HD LYS 7 1.066 6.188 -7.424 49 HD3 LYS 7 1HD LYS 7 2.187 7.544 -7.401 50 HE2 LYS 7 2HE LYS 7 3.608 5.377 -8.573 51 HE3 LYS 7 1HE LYS 7 2.010 5.408 -9.341 52 HZ1 LYS 7 3HZ LYS 7 4.010 7.579 -9.147 53 HZ2 LYS 7 1HZ LYS 7 2.370 7.932 -9.414 54 HZ3 LYS 7 2HZ LYS 7 3.226 6.985 -10.525 55 H ASN 8 H ASN 8 -0.323 2.856 -4.682 56 HA ASN 8 HA ASN 8 -2.063 2.901 -7.108 57 HB2 ASN 8 2HB ASN 8 -0.699 0.868 -5.418 58 HB3 ASN 8 1HB ASN 8 -2.197 0.389 -6.190 59 HD21 ASN 8 1HD2 ASN 8 1.114 0.645 -6.711 60 HD22 ASN 8 2HD2 ASN 8 1.095 0.555 -8.396 61 H GLY 9 H GLY 9 -2.253 3.037 -3.641 62 HA2 GLY 9 2HA GLY 9 -4.087 3.050 -2.185 63 HA3 GLY 9 1HA GLY 9 -5.029 3.590 -3.574 64 H LYS 10 H LYS 10 -6.546 2.183 -4.335 65 HA LYS 10 HA LYS 10 -7.174 -0.280 -3.087 66 HB2 LYS 10 2HB LYS 10 -7.746 0.857 -5.835 67 HB3 LYS 10 1HB LYS 10 -8.507 -0.618 -5.239 68 HG2 LYS 10 2HG LYS 10 -8.821 1.208 -3.145 69 HG3 LYS 10 1HG LYS 10 -9.120 2.158 -4.600 70 HD2 LYS 10 2HD LYS 10 -10.528 -0.044 -5.249 71 HD3 LYS 10 1HD LYS 10 -10.653 -0.142 -3.492 72 HE2 LYS 10 2HE LYS 10 -12.550 1.169 -4.332 73 HE3 LYS 10 1HE LYS 10 -11.447 2.262 -3.475 74 HZ1 LYS 10 3HZ LYS 10 -10.612 3.114 -5.429 75 HZ2 LYS 10 1HZ LYS 10 -12.227 2.865 -5.866 76 HZ3 LYS 10 2HZ LYS 10 -11.041 1.752 -6.350 77 H ARG 11 H ARG 11 -4.996 0.422 -5.792 78 HA ARG 11 HA ARG 11 -4.569 -2.441 -6.369 79 HB2 ARG 11 2HB ARG 11 -3.360 0.147 -7.401 80 HB3 ARG 11 1HB ARG 11 -2.853 -1.440 -7.961 81 HG2 ARG 11 2HG ARG 11 -5.364 -1.874 -8.425 82 HG3 ARG 11 1HG ARG 11 -5.547 -0.124 -8.286 83 HD2 ARG 11 2HD ARG 11 -5.157 -0.482 -10.604 84 HD3 ARG 11 1HD ARG 11 -3.568 -0.003 -9.977 85 HE ARG 11 HE ARG 11 -3.874 -2.857 -9.727 86 HH11 ARG 11 1HH2 ARG 11 -3.425 -0.341 -12.084 87 HH12 ARG 11 2HH2 ARG 11 -2.575 -1.349 -13.200 88 HH21 ARG 11 1HH1 ARG 11 -2.792 -4.206 -11.207 89 HH22 ARG 11 2HH1 ARG 11 -2.221 -3.549 -12.708 90 H GLY 12 H GLY 12 -3.315 -0.086 -4.237 91 HA2 GLY 12 2HA GLY 12 -0.639 -1.247 -3.983 92 HA3 GLY 12 1HA GLY 12 -1.326 0.023 -2.969 93 H CYS 13 H CYS 13 -3.785 -1.607 -2.452 94 HA CYS 13 HA CYS 13 -3.124 -2.788 0.014 95 HB2 CYS 13 2HB CYS 13 -5.356 -2.753 -1.898 96 HB3 CYS 13 1HB CYS 13 -5.329 -4.195 -0.884 97 H GLY 14 H GLY 14 -2.614 -4.891 0.655 98 HA2 GLY 14 2HA GLY 14 -2.696 -7.325 -0.455 99 HA3 GLY 14 1HA GLY 14 -1.397 -6.610 -1.417 100 H ARG 15 H ARG 15 -0.871 -8.804 0.242 101 HA ARG 15 HA ARG 15 -0.037 -8.430 2.870 102 HB2 ARG 15 2HB ARG 15 1.586 -10.212 2.388 103 HB3 ARG 15 1HB ARG 15 0.067 -10.534 1.557 104 HG2 ARG 15 2HG ARG 15 1.254 -9.193 -0.409 105 HG3 ARG 15 1HG ARG 15 2.719 -9.708 0.422 106 HD2 ARG 15 2HD ARG 15 2.471 -11.613 -0.830 107 HD3 ARG 15 1HD ARG 15 1.256 -12.041 0.392 108 HE ARG 15 HE ARG 15 0.192 -10.295 -1.699 109 HH11 ARG 15 1HH2 ARG 15 0.925 -13.557 -0.776 110 HH12 ARG 15 2HH2 ARG 15 -0.281 -14.257 -1.795 111 HH21 ARG 15 1HH1 ARG 15 -1.377 -11.205 -3.050 112 HH22 ARG 15 2HH1 ARG 15 -1.584 -12.923 -3.090 113 H TRP 16 H TRP 16 1.761 -7.498 -0.060 114 HA TRP 16 HA TRP 16 4.185 -6.608 1.102 115 HB2 TRP 16 2HB TRP 16 3.506 -6.870 -1.334 116 HB3 TRP 16 1HB TRP 16 2.665 -5.326 -1.180 117 HD1 TRP 16 HD TRP 16 6.147 -6.875 -1.104 118 HE1 TRP 16 1HE TRP 16 7.869 -5.034 -1.494 119 HE3 TRP 16 3HE TRP 16 3.102 -2.760 -0.930 120 HZ2 TRP 16 2HZ TRP 16 7.968 -2.192 -1.740 121 HZ3 TRP 16 3HZ TRP 16 4.060 -0.506 -1.264 122 HH2 TRP 16 HH TRP 16 6.485 -0.222 -1.666 123 H CYS 17 H CYS 17 1.397 -4.508 0.173 124 HA CYS 17 HA CYS 17 2.344 -2.214 1.598 125 HB2 CYS 17 2HB CYS 17 0.604 -2.029 -0.086 126 HB3 CYS 17 1HB CYS 17 -0.433 -3.143 0.793 127 H ARG 18 H ARG 18 0.080 -4.815 2.522 128 HA ARG 18 HA ARG 18 -0.747 -4.032 5.058 129 HB2 ARG 18 2HB ARG 18 -1.047 -6.197 3.610 130 HB3 ARG 18 1HB ARG 18 0.319 -6.794 4.531 131 HG2 ARG 18 2HG ARG 18 -1.194 -5.844 6.560 132 HG3 ARG 18 1HG ARG 18 -2.468 -6.271 5.412 133 HD2 ARG 18 2HD ARG 18 -1.889 -8.208 6.874 134 HD3 ARG 18 1HD ARG 18 -1.479 -8.535 5.174 135 HE ARG 18 HE ARG 18 0.678 -7.246 6.668 136 HH11 ARG 18 1HH2 ARG 18 -0.780 -10.254 5.698 137 HH12 ARG 18 2HH2 ARG 18 0.660 -11.173 5.962 138 HH21 ARG 18 1HH1 ARG 18 2.546 -8.454 7.006 139 HH22 ARG 18 2HH1 ARG 18 2.531 -10.160 6.725 140 H ASP 19 H ASP 19 2.348 -5.611 4.230 141 HA ASP 19 HA ASP 19 3.301 -5.276 7.019 142 HB2 ASP 19 2HB ASP 19 3.518 -7.251 5.138 143 HB3 ASP 19 1HB ASP 19 5.056 -6.410 4.925 144 H HIS 20 H HIS 20 3.849 -3.897 3.814 145 HA HIS 20 HA HIS 20 6.277 -2.447 4.795 146 HB2 HIS 20 2HB HIS 20 5.087 -2.889 2.038 147 HB3 HIS 20 1HB HIS 20 6.609 -2.064 2.352 148 HD1 HIS 20 1HD HIS 20 4.998 -5.481 2.839 149 HD2 HIS 20 2HD HIS 20 8.784 -3.780 2.565 150 HE1 HIS 20 1HE HIS 20 6.648 -7.403 2.788 151 H SER 21 H SER 21 2.936 -1.756 4.452 152 HA SER 21 HA SER 21 3.566 1.155 4.395 153 HB2 SER 21 2HB SER 21 2.455 -0.489 2.239 154 HB3 SER 21 1HB SER 21 1.470 0.921 2.601 155 HG SER 21 HG SER 21 3.511 2.122 2.492 156 H ARG 22 H ARG 22 1.692 2.502 4.937 157 HA ARG 22 HA ARG 22 -0.435 1.051 6.490 158 HB2 ARG 22 2HB ARG 22 0.761 3.818 6.899 159 HB3 ARG 22 1HB ARG 22 -0.430 3.047 7.942 160 HG2 ARG 22 2HG ARG 22 2.375 2.004 7.417 161 HG3 ARG 22 1HG ARG 22 1.855 2.853 8.873 162 HD2 ARG 22 2HD ARG 22 0.950 0.965 9.750 163 HD3 ARG 22 1HD ARG 22 0.084 0.613 8.242 164 HE ARG 22 HE ARG 22 3.009 0.136 8.252 165 HH11 ARG 22 1HH2 ARG 22 -0.212 -1.163 8.512 166 HH12 ARG 22 2HH2 ARG 22 0.255 -2.742 7.993 167 HH21 ARG 22 1HH1 ARG 22 3.610 -1.929 7.583 168 HH22 ARG 22 2HH1 ARG 22 2.411 -3.177 7.462 169 H CYS 23 H CYS 23 -0.394 1.865 3.593 170 HA CYS 23 HA CYS 23 -2.507 3.986 3.538 171 HB2 CYS 23 2HB CYS 23 -0.239 3.960 2.221 172 HB3 CYS 23 1HB CYS 23 -1.042 2.788 1.185 173 H CYS 24 H CYS 24 -3.160 1.295 4.407 174 HA CYS 24 HA CYS 24 -5.333 0.653 2.558 175 HB2 CYS 24 2HB CYS 24 -2.707 -0.571 2.331 176 HB3 CYS 24 1HB CYS 24 -3.933 -1.797 2.663 177 HN1 NH2 25 2H CYS 24 -6.125 -0.091 6.081 178 HN2 NH2 25 1H CYS 24 -5.943 1.253 5.056 Start of MODEL 6 1 H1 VAL 1 1HT VAL 1 10.092 -0.222 3.142 2 H2 VAL 1 2HT VAL 1 9.227 1.197 3.473 3 H3 VAL 1 3HT VAL 1 10.799 1.289 2.852 4 HA VAL 1 HA VAL 1 9.595 1.696 0.958 5 HB VAL 1 HB VAL 1 9.714 -0.401 -0.336 6 HG11 VAL 1 2HG1 VAL 1 11.807 0.781 1.073 7 HG12 VAL 1 3HG1 VAL 1 11.962 -0.342 -0.280 8 HG13 VAL 1 1HG1 VAL 1 12.019 -0.949 1.369 9 HG21 VAL 1 1HG2 VAL 1 9.179 -2.380 0.620 10 HG22 VAL 1 2HG2 VAL 1 9.023 -1.582 2.181 11 HG23 VAL 1 3HG2 VAL 1 10.580 -2.247 1.690 12 H GLY 2 H GLY 2 7.521 1.808 -0.016 13 HA2 GLY 2 2HA GLY 2 5.373 0.027 0.388 14 HA3 GLY 2 1HA GLY 2 5.255 1.220 1.660 15 H GLU 3 H GLU 3 6.394 3.346 -0.205 16 HA GLU 3 HA GLU 3 4.183 4.727 -0.993 17 HB2 GLU 3 2HB GLU 3 5.625 5.790 -2.681 18 HB3 GLU 3 1HB GLU 3 6.515 5.487 -1.193 19 HG2 GLU 3 2HG GLU 3 7.574 3.545 -2.141 20 HG3 GLU 3 1HG GLU 3 6.545 3.616 -3.571 21 H ARG 4 H ARG 4 5.572 2.055 -2.865 22 HA ARG 4 HA ARG 4 4.100 2.278 -5.253 23 HB2 ARG 4 2HB ARG 4 5.445 0.478 -5.534 24 HB3 ARG 4 1HB ARG 4 5.685 0.346 -3.801 25 HG2 ARG 4 2HG ARG 4 4.717 -1.705 -4.246 26 HG3 ARG 4 1HG ARG 4 3.272 -0.761 -3.882 27 HD2 ARG 4 2HD ARG 4 2.653 -1.707 -5.930 28 HD3 ARG 4 1HD ARG 4 3.412 -0.201 -6.484 29 HE ARG 4 HE ARG 4 5.420 -2.236 -6.143 30 HH11 ARG 4 1HH2 ARG 4 2.804 -1.267 -8.221 31 HH12 ARG 4 2HH2 ARG 4 3.498 -1.974 -9.631 32 HH21 ARG 4 1HH1 ARG 4 6.319 -3.169 -7.999 33 HH22 ARG 4 2HH1 ARG 4 5.484 -3.055 -9.509 34 H CYS 5 H CYS 5 3.083 1.235 -2.055 35 HA CYS 5 HA CYS 5 0.574 0.016 -2.848 36 HB2 CYS 5 2HB CYS 5 1.552 -0.592 -0.763 37 HB3 CYS 5 1HB CYS 5 1.795 1.089 -0.295 38 H CYS 6 H CYS 6 1.266 3.141 -1.173 39 HA CYS 6 HA CYS 6 -1.375 4.198 -1.459 40 HB2 CYS 6 2HB CYS 6 1.202 5.804 -1.463 41 HB3 CYS 6 1HB CYS 6 -0.372 6.287 -0.837 42 H LYS 7 H LYS 7 1.490 4.354 -3.584 43 HA LYS 7 HA LYS 7 0.529 6.157 -5.559 44 HB2 LYS 7 2HB LYS 7 2.523 4.010 -5.278 45 HB3 LYS 7 1HB LYS 7 1.980 4.267 -6.936 46 HG2 LYS 7 2HG LYS 7 2.919 6.350 -7.070 47 HG3 LYS 7 1HG LYS 7 2.572 6.723 -5.379 48 HD2 LYS 7 2HD LYS 7 4.910 6.513 -5.381 49 HD3 LYS 7 1HD LYS 7 4.380 4.916 -4.857 50 HE2 LYS 7 2HE LYS 7 5.152 3.909 -6.759 51 HE3 LYS 7 1HE LYS 7 4.582 5.233 -7.793 52 HZ1 LYS 7 3HZ LYS 7 7.032 5.141 -7.648 53 HZ2 LYS 7 1HZ LYS 7 6.944 5.399 -5.968 54 HZ3 LYS 7 2HZ LYS 7 6.409 6.605 -7.054 55 H ASN 8 H ASN 8 -0.317 2.829 -4.902 56 HA ASN 8 HA ASN 8 -1.826 2.585 -7.458 57 HB2 ASN 8 2HB ASN 8 -0.523 0.826 -5.476 58 HB3 ASN 8 1HB ASN 8 -2.021 0.202 -6.132 59 HD21 ASN 8 1HD2 ASN 8 1.267 0.810 -6.799 60 HD22 ASN 8 2HD2 ASN 8 1.250 0.313 -8.415 61 H GLY 9 H GLY 9 -2.348 3.163 -4.083 62 HA2 GLY 9 2HA GLY 9 -4.314 3.407 -2.827 63 HA3 GLY 9 1HA GLY 9 -5.143 3.632 -4.370 64 H LYS 10 H LYS 10 -6.661 2.103 -4.794 65 HA LYS 10 HA LYS 10 -7.082 -0.227 -3.211 66 HB2 LYS 10 2HB LYS 10 -8.628 -0.858 -5.068 67 HB3 LYS 10 1HB LYS 10 -8.816 0.824 -4.580 68 HG2 LYS 10 2HG LYS 10 -6.812 0.847 -6.572 69 HG3 LYS 10 1HG LYS 10 -8.056 -0.248 -7.175 70 HD2 LYS 10 2HD LYS 10 -9.347 2.029 -6.001 71 HD3 LYS 10 1HD LYS 10 -8.105 2.603 -7.109 72 HE2 LYS 10 2HE LYS 10 -10.101 2.313 -8.424 73 HE3 LYS 10 1HE LYS 10 -9.052 0.936 -8.822 74 HZ1 LYS 10 3HZ LYS 10 -10.280 -0.484 -7.488 75 HZ2 LYS 10 1HZ LYS 10 -11.491 0.496 -8.141 76 HZ3 LYS 10 2HZ LYS 10 -10.945 0.772 -6.560 77 H ARG 11 H ARG 11 -4.943 0.308 -5.937 78 HA ARG 11 HA ARG 11 -4.528 -2.544 -6.508 79 HB2 ARG 11 2HB ARG 11 -3.181 0.041 -7.330 80 HB3 ARG 11 1HB ARG 11 -2.663 -1.530 -7.924 81 HG2 ARG 11 2HG ARG 11 -4.831 -1.928 -8.926 82 HG3 ARG 11 1HG ARG 11 -5.488 -0.465 -8.195 83 HD2 ARG 11 2HD ARG 11 -4.694 0.814 -9.890 84 HD3 ARG 11 1HD ARG 11 -3.066 0.129 -9.716 85 HE ARG 11 HE ARG 11 -4.919 -1.763 -10.934 86 HH11 ARG 11 1HH2 ARG 11 -2.863 0.992 -11.492 87 HH12 ARG 11 2HH2 ARG 11 -2.613 0.628 -13.162 88 HH21 ARG 11 1HH1 ARG 11 -4.583 -2.233 -13.135 89 HH22 ARG 11 2HH1 ARG 11 -3.584 -1.195 -14.093 90 H GLY 12 H GLY 12 -3.436 -0.413 -4.101 91 HA2 GLY 12 2HA GLY 12 -0.824 -1.784 -3.802 92 HA3 GLY 12 1HA GLY 12 -1.316 -0.322 -2.956 93 H CYS 13 H CYS 13 -3.994 -1.661 -2.303 94 HA CYS 13 HA CYS 13 -3.280 -2.613 0.295 95 HB2 CYS 13 2HB CYS 13 -5.764 -2.969 -1.399 96 HB3 CYS 13 1HB CYS 13 -5.689 -3.287 0.328 97 H GLY 14 H GLY 14 -1.872 -4.367 0.330 98 HA2 GLY 14 2HA GLY 14 -2.971 -6.990 -0.275 99 HA3 GLY 14 1HA GLY 14 -1.657 -6.539 -1.362 100 H ARG 15 H ARG 15 -1.108 -8.683 0.114 101 HA ARG 15 HA ARG 15 -0.176 -8.627 2.715 102 HB2 ARG 15 2HB ARG 15 -0.203 -10.573 1.212 103 HB3 ARG 15 1HB ARG 15 1.071 -9.852 0.229 104 HG2 ARG 15 2HG ARG 15 2.316 -11.268 1.575 105 HG3 ARG 15 1HG ARG 15 2.372 -9.776 2.510 106 HD2 ARG 15 2HD ARG 15 1.770 -11.451 4.106 107 HD3 ARG 15 1HD ARG 15 0.236 -10.663 3.696 108 HE ARG 15 HE ARG 15 -0.438 -12.631 2.577 109 HH11 ARG 15 1HH2 ARG 15 3.000 -12.614 3.064 110 HH12 ARG 15 2HH2 ARG 15 3.197 -14.275 2.641 111 HH21 ARG 15 1HH1 ARG 15 -0.177 -14.826 2.051 112 HH22 ARG 15 2HH1 ARG 15 1.409 -15.531 2.078 113 H TRP 16 H TRP 16 1.626 -7.418 -0.151 114 HA TRP 16 HA TRP 16 4.043 -6.737 1.243 115 HB2 TRP 16 2HB TRP 16 3.661 -6.926 -1.236 116 HB3 TRP 16 1HB TRP 16 2.771 -5.402 -1.166 117 HD1 TRP 16 HD TRP 16 6.256 -6.873 -0.609 118 HE1 TRP 16 1HE TRP 16 7.994 -5.009 -0.828 119 HE3 TRP 16 3HE TRP 16 3.158 -2.829 -1.047 120 HZ2 TRP 16 2HZ TRP 16 8.079 -2.145 -1.169 121 HZ3 TRP 16 3HZ TRP 16 4.087 -0.562 -1.324 122 HH2 TRP 16 HH TRP 16 6.541 -0.208 -1.381 123 H CYS 17 H CYS 17 1.501 -4.483 0.067 124 HA CYS 17 HA CYS 17 2.356 -2.207 1.511 125 HB2 CYS 17 2HB CYS 17 0.667 -2.172 -0.250 126 HB3 CYS 17 1HB CYS 17 -0.417 -3.141 0.736 127 H ARG 18 H ARG 18 0.061 -4.773 2.486 128 HA ARG 18 HA ARG 18 -0.811 -3.836 4.969 129 HB2 ARG 18 2HB ARG 18 -1.070 -6.107 3.596 130 HB3 ARG 18 1HB ARG 18 0.139 -6.669 4.740 131 HG2 ARG 18 2HG ARG 18 -1.301 -5.945 6.615 132 HG3 ARG 18 1HG ARG 18 -2.517 -5.390 5.460 133 HD2 ARG 18 2HD ARG 18 -1.598 -8.186 5.052 134 HD3 ARG 18 1HD ARG 18 -2.533 -7.907 6.534 135 HE ARG 18 HE ARG 18 -3.523 -7.609 3.777 136 HH11 ARG 18 1HH2 ARG 18 -3.901 -6.743 7.127 137 HH12 ARG 18 2HH2 ARG 18 -5.581 -6.378 6.978 138 HH21 ARG 18 1HH1 ARG 18 -5.736 -7.155 3.587 139 HH22 ARG 18 2HH1 ARG 18 -6.628 -6.614 4.968 140 H ASP 19 H ASP 19 2.267 -5.597 4.361 141 HA ASP 19 HA ASP 19 3.111 -5.018 7.151 142 HB2 ASP 19 2HB ASP 19 3.341 -7.207 5.596 143 HB3 ASP 19 1HB ASP 19 4.876 -6.420 5.208 144 H HIS 20 H HIS 20 3.798 -3.916 3.894 145 HA HIS 20 HA HIS 20 6.309 -2.592 4.792 146 HB2 HIS 20 2HB HIS 20 4.987 -2.978 2.089 147 HB3 HIS 20 1HB HIS 20 6.555 -2.214 2.323 148 HD1 HIS 20 1HD HIS 20 4.816 -5.554 2.909 149 HD2 HIS 20 2HD HIS 20 8.662 -4.009 2.568 150 HE1 HIS 20 1HE HIS 20 6.386 -7.546 2.873 151 H SER 21 H SER 21 3.014 -1.746 3.814 152 HA SER 21 HA SER 21 3.786 1.146 4.115 153 HB2 SER 21 2HB SER 21 2.956 -0.264 1.841 154 HB3 SER 21 1HB SER 21 1.523 0.605 2.370 155 HG SER 21 HG SER 21 3.293 2.398 2.596 156 H ARG 22 H ARG 22 2.721 1.960 5.893 157 HA ARG 22 HA ARG 22 0.224 0.792 6.903 158 HB2 ARG 22 2HB ARG 22 1.640 3.418 7.540 159 HB3 ARG 22 1HB ARG 22 0.440 2.613 8.551 160 HG2 ARG 22 2HG ARG 22 2.511 0.715 7.970 161 HG3 ARG 22 1HG ARG 22 3.275 2.203 8.525 162 HD2 ARG 22 2HD ARG 22 2.736 0.698 10.434 163 HD3 ARG 22 1HD ARG 22 1.800 2.204 10.531 164 HE ARG 22 HE ARG 22 0.255 0.420 8.978 165 HH11 ARG 22 1HH2 ARG 22 1.587 0.541 12.185 166 HH12 ARG 22 2HH2 ARG 22 0.282 -0.339 12.900 167 HH21 ARG 22 1HH1 ARG 22 -1.478 -0.705 9.916 168 HH22 ARG 22 2HH1 ARG 22 -1.465 -1.040 11.615 169 H CYS 23 H CYS 23 -0.387 1.198 4.419 170 HA CYS 23 HA CYS 23 -1.764 3.862 4.136 171 HB2 CYS 23 2HB CYS 23 0.318 2.900 2.711 172 HB3 CYS 23 1HB CYS 23 -0.982 2.116 1.826 173 H CYS 24 H CYS 24 -1.905 0.354 3.579 174 HA CYS 24 HA CYS 24 -4.800 0.554 2.830 175 HB2 CYS 24 2HB CYS 24 -2.490 -1.256 2.235 176 HB3 CYS 24 1HB CYS 24 -4.118 -1.930 2.152 177 HN1 NH2 25 2H CYS 24 -5.738 -1.991 5.284 178 HN2 NH2 25 1H CYS 24 -6.039 -1.560 3.671 Start of MODEL 7 1 H1 VAL 1 1HT VAL 1 10.329 0.086 2.672 2 H2 VAL 1 2HT VAL 1 10.463 1.726 2.259 3 H3 VAL 1 3HT VAL 1 11.605 0.608 1.687 4 HA VAL 1 HA VAL 1 9.901 1.316 0.005 5 HB VAL 1 HB VAL 1 11.354 -0.837 0.170 6 HG11 VAL 1 2HG1 VAL 1 10.271 -2.899 0.673 7 HG12 VAL 1 3HG1 VAL 1 8.672 -2.162 0.614 8 HG13 VAL 1 1HG1 VAL 1 9.750 -1.809 1.955 9 HG21 VAL 1 1HG2 VAL 1 10.183 -0.044 -1.880 10 HG22 VAL 1 2HG2 VAL 1 8.766 -0.979 -1.403 11 HG23 VAL 1 3HG2 VAL 1 10.281 -1.798 -1.785 12 H GLY 2 H GLY 2 7.650 1.071 -0.641 13 HA2 GLY 2 2HA GLY 2 5.536 -0.269 0.329 14 HA3 GLY 2 1HA GLY 2 5.793 0.844 1.655 15 H GLU 3 H GLU 3 6.742 2.935 -0.390 16 HA GLU 3 HA GLU 3 4.471 4.519 -0.637 17 HB2 GLU 3 2HB GLU 3 5.738 5.584 -2.547 18 HB3 GLU 3 1HB GLU 3 6.709 5.319 -1.104 19 HG2 GLU 3 2HG GLU 3 7.684 3.309 -2.066 20 HG3 GLU 3 1HG GLU 3 6.618 3.423 -3.464 21 H ARG 4 H ARG 4 5.490 1.962 -2.850 22 HA ARG 4 HA ARG 4 3.772 2.417 -5.032 23 HB2 ARG 4 2HB ARG 4 4.830 0.530 -5.669 24 HB3 ARG 4 1HB ARG 4 5.551 0.462 -4.070 25 HG2 ARG 4 2HG ARG 4 4.546 -1.608 -4.153 26 HG3 ARG 4 1HG ARG 4 3.245 -0.678 -3.421 27 HD2 ARG 4 2HD ARG 4 1.957 -0.712 -5.359 28 HD3 ARG 4 1HD ARG 4 3.376 -0.827 -6.420 29 HE ARG 4 HE ARG 4 3.533 -3.170 -5.024 30 HH11 ARG 4 1HH2 ARG 4 0.990 -1.600 -6.795 31 HH12 ARG 4 2HH2 ARG 4 0.114 -3.063 -7.080 32 HH21 ARG 4 1HH1 ARG 4 2.446 -5.087 -5.481 33 HH22 ARG 4 2HH1 ARG 4 0.961 -5.040 -6.369 34 H CYS 5 H CYS 5 2.981 1.240 -1.822 35 HA CYS 5 HA CYS 5 0.483 -0.025 -2.430 36 HB2 CYS 5 2HB CYS 5 1.518 -0.437 -0.329 37 HB3 CYS 5 1HB CYS 5 1.683 1.286 0.017 38 H CYS 6 H CYS 6 0.847 3.147 -0.766 39 HA CYS 6 HA CYS 6 -1.825 4.019 -1.298 40 HB2 CYS 6 2HB CYS 6 0.564 5.858 -1.003 41 HB3 CYS 6 1HB CYS 6 -1.080 6.102 -0.410 42 H LYS 7 H LYS 7 1.198 4.394 -3.152 43 HA LYS 7 HA LYS 7 0.400 6.272 -5.095 44 HB2 LYS 7 2HB LYS 7 2.213 3.895 -4.966 45 HB3 LYS 7 1HB LYS 7 1.908 4.603 -6.551 46 HG2 LYS 7 2HG LYS 7 2.534 6.526 -4.376 47 HG3 LYS 7 1HG LYS 7 3.861 5.484 -4.888 48 HD2 LYS 7 2HD LYS 7 2.159 6.958 -6.906 49 HD3 LYS 7 1HD LYS 7 3.554 7.728 -6.153 50 HE2 LYS 7 2HE LYS 7 3.824 5.006 -7.444 51 HE3 LYS 7 1HE LYS 7 3.943 6.487 -8.411 52 HZ1 LYS 7 3HZ LYS 7 5.738 7.250 -7.159 53 HZ2 LYS 7 1HZ LYS 7 6.073 5.605 -7.348 54 HZ3 LYS 7 2HZ LYS 7 5.444 6.173 -5.880 55 H ASN 8 H ASN 8 -0.380 2.855 -4.804 56 HA ASN 8 HA ASN 8 -1.996 2.965 -7.311 57 HB2 ASN 8 2HB ASN 8 -0.417 0.976 -5.817 58 HB3 ASN 8 1HB ASN 8 -1.931 0.361 -6.447 59 HD21 ASN 8 1HD2 ASN 8 1.270 1.072 -7.300 60 HD22 ASN 8 2HD2 ASN 8 1.081 0.972 -8.978 61 H GLY 9 H GLY 9 -2.339 2.886 -3.871 62 HA2 GLY 9 2HA GLY 9 -4.224 2.696 -2.495 63 HA3 GLY 9 1HA GLY 9 -5.157 3.193 -3.905 64 H LYS 10 H LYS 10 -6.583 1.694 -4.661 65 HA LYS 10 HA LYS 10 -6.984 -0.862 -3.515 66 HB2 LYS 10 2HB LYS 10 -7.702 0.450 -6.136 67 HB3 LYS 10 1HB LYS 10 -8.202 -1.207 -5.800 68 HG2 LYS 10 2HG LYS 10 -8.741 1.026 -3.834 69 HG3 LYS 10 1HG LYS 10 -9.852 0.676 -5.158 70 HD2 LYS 10 2HD LYS 10 -9.088 -1.780 -3.837 71 HD3 LYS 10 1HD LYS 10 -9.721 -0.634 -2.656 72 HE2 LYS 10 2HE LYS 10 -11.248 -0.788 -5.197 73 HE3 LYS 10 1HE LYS 10 -11.321 -2.234 -4.171 74 HZ1 LYS 10 3HZ LYS 10 -11.628 0.487 -3.038 75 HZ2 LYS 10 1HZ LYS 10 -12.069 -0.999 -2.345 76 HZ3 LYS 10 2HZ LYS 10 -12.958 -0.369 -3.644 77 H ARG 11 H ARG 11 -4.867 0.150 -6.132 78 HA ARG 11 HA ARG 11 -4.214 -2.601 -6.951 79 HB2 ARG 11 2HB ARG 11 -3.156 0.151 -7.635 80 HB3 ARG 11 1HB ARG 11 -2.595 -1.327 -8.412 81 HG2 ARG 11 2HG ARG 11 -4.736 -1.751 -9.362 82 HG3 ARG 11 1HG ARG 11 -5.521 -0.574 -8.315 83 HD2 ARG 11 2HD ARG 11 -5.332 0.599 -10.363 84 HD3 ARG 11 1HD ARG 11 -3.906 1.149 -9.454 85 HE ARG 11 HE ARG 11 -3.603 -1.279 -11.142 86 HH11 ARG 11 1HH2 ARG 11 -2.989 2.115 -10.639 87 HH12 ARG 11 2HH2 ARG 11 -1.713 2.172 -11.795 88 HH21 ARG 11 1HH1 ARG 11 -1.952 -1.172 -12.671 89 HH22 ARG 11 2HH1 ARG 11 -1.134 0.325 -12.952 90 H GLY 12 H GLY 12 -3.264 -0.583 -4.428 91 HA2 GLY 12 2HA GLY 12 -0.550 -1.808 -4.257 92 HA3 GLY 12 1HA GLY 12 -1.019 -0.306 -3.470 93 H CYS 13 H CYS 13 -3.655 -1.578 -2.628 94 HA CYS 13 HA CYS 13 -2.923 -2.423 -0.008 95 HB2 CYS 13 2HB CYS 13 -5.367 -2.681 -1.762 96 HB3 CYS 13 1HB CYS 13 -5.357 -3.357 -0.139 97 H GLY 14 H GLY 14 -2.429 -4.436 0.836 98 HA2 GLY 14 2HA GLY 14 -3.124 -6.968 0.116 99 HA3 GLY 14 1HA GLY 14 -1.840 -6.612 -1.043 100 H ARG 15 H ARG 15 -1.149 -8.625 0.524 101 HA ARG 15 HA ARG 15 -0.167 -8.197 3.123 102 HB2 ARG 15 2HB ARG 15 0.556 -10.325 2.819 103 HB3 ARG 15 1HB ARG 15 -0.169 -10.215 1.223 104 HG2 ARG 15 2HG ARG 15 1.860 -10.171 0.179 105 HG3 ARG 15 1HG ARG 15 2.574 -9.110 1.390 106 HD2 ARG 15 2HD ARG 15 1.939 -11.963 2.100 107 HD3 ARG 15 1HD ARG 15 3.447 -11.559 1.259 108 HE ARG 15 HE ARG 15 2.703 -10.686 3.996 109 HH11 ARG 15 1HH2 ARG 15 4.804 -10.367 1.227 110 HH12 ARG 15 2HH2 ARG 15 6.085 -9.646 2.129 111 HH21 ARG 15 1HH1 ARG 15 4.377 -9.696 5.155 112 HH22 ARG 15 2HH1 ARG 15 5.838 -9.251 4.345 113 H TRP 16 H TRP 16 1.458 -7.475 0.020 114 HA TRP 16 HA TRP 16 4.005 -6.641 1.009 115 HB2 TRP 16 2HB TRP 16 3.175 -6.950 -1.384 116 HB3 TRP 16 1HB TRP 16 2.387 -5.378 -1.220 117 HD1 TRP 16 HD TRP 16 5.804 -7.027 -1.438 118 HE1 TRP 16 1HE TRP 16 7.573 -5.234 -1.877 119 HE3 TRP 16 3HE TRP 16 2.964 -2.816 -0.877 120 HZ2 TRP 16 2HZ TRP 16 7.774 -2.369 -2.007 121 HZ3 TRP 16 3HZ TRP 16 3.961 -0.581 -1.169 122 HH2 TRP 16 HH TRP 16 6.359 -0.348 -1.734 123 H CYS 17 H CYS 17 1.222 -4.536 0.162 124 HA CYS 17 HA CYS 17 2.245 -2.204 1.463 125 HB2 CYS 17 2HB CYS 17 0.468 -2.089 -0.164 126 HB3 CYS 17 1HB CYS 17 -0.544 -3.163 0.783 127 H ARG 18 H ARG 18 -0.046 -4.701 2.612 128 HA ARG 18 HA ARG 18 -0.641 -3.710 5.174 129 HB2 ARG 18 2HB ARG 18 -1.372 -5.839 3.938 130 HB3 ARG 18 1HB ARG 18 0.081 -6.583 4.589 131 HG2 ARG 18 2HG ARG 18 -0.822 -5.586 6.876 132 HG3 ARG 18 1HG ARG 18 -2.368 -5.631 6.028 133 HD2 ARG 18 2HD ARG 18 -2.103 -7.745 7.202 134 HD3 ARG 18 1HD ARG 18 -1.896 -8.060 5.468 135 HE ARG 18 HE ARG 18 0.677 -7.468 6.330 136 HH11 ARG 18 1HH2 ARG 18 -1.808 -9.683 7.370 137 HH12 ARG 18 2HH2 ARG 18 -0.686 -10.877 7.914 138 HH21 ARG 18 1HH1 ARG 18 2.139 -9.058 7.024 139 HH22 ARG 18 2HH1 ARG 18 1.536 -10.533 7.708 140 H ASP 19 H ASP 19 2.270 -5.505 4.153 141 HA ASP 19 HA ASP 19 3.409 -5.298 6.872 142 HB2 ASP 19 2HB ASP 19 3.552 -7.068 4.666 143 HB3 ASP 19 1HB ASP 19 5.172 -6.405 4.878 144 H HIS 20 H HIS 20 3.947 -3.931 3.629 145 HA HIS 20 HA HIS 20 6.354 -2.468 4.643 146 HB2 HIS 20 2HB HIS 20 5.206 -2.819 1.856 147 HB3 HIS 20 1HB HIS 20 6.772 -2.114 2.238 148 HD1 HIS 20 1HD HIS 20 4.912 -5.422 2.619 149 HD2 HIS 20 2HD HIS 20 8.812 -3.997 2.377 150 HE1 HIS 20 1HE HIS 20 6.416 -7.457 2.501 151 H SER 21 H SER 21 3.036 -1.859 4.271 152 HA SER 21 HA SER 21 3.543 1.085 4.003 153 HB2 SER 21 2HB SER 21 1.606 -0.711 2.542 154 HB3 SER 21 1HB SER 21 1.540 1.037 2.465 155 HG SER 21 HG SER 21 3.444 1.067 1.400 156 H ARG 22 H ARG 22 2.544 2.131 5.680 157 HA ARG 22 HA ARG 22 0.270 0.799 7.087 158 HB2 ARG 22 2HB ARG 22 2.166 3.088 7.677 159 HB3 ARG 22 1HB ARG 22 0.720 2.819 8.652 160 HG2 ARG 22 2HG ARG 22 1.961 0.287 8.355 161 HG3 ARG 22 1HG ARG 22 3.244 1.430 8.759 162 HD2 ARG 22 2HD ARG 22 0.934 2.006 10.386 163 HD3 ARG 22 1HD ARG 22 1.353 0.292 10.547 164 HE ARG 22 HE ARG 22 3.748 1.091 10.910 165 HH11 ARG 22 1HH2 ARG 22 0.999 3.128 11.660 166 HH12 ARG 22 2HH2 ARG 22 1.888 4.112 12.762 167 HH21 ARG 22 1HH1 ARG 22 4.870 2.364 12.381 168 HH22 ARG 22 2HH1 ARG 22 4.078 3.684 13.175 169 H CYS 23 H CYS 23 -0.638 1.390 4.733 170 HA CYS 23 HA CYS 23 -2.530 3.590 5.046 171 HB2 CYS 23 2HB CYS 23 -0.862 5.062 4.422 172 HB3 CYS 23 1HB CYS 23 0.080 3.812 3.635 173 H CYS 24 H CYS 24 -3.901 1.692 4.621 174 HA CYS 24 HA CYS 24 -4.794 1.390 1.930 175 HB2 CYS 24 2HB CYS 24 -2.401 0.017 2.492 176 HB3 CYS 24 1HB CYS 24 -3.652 -1.226 2.508 177 HN1 NH2 25 2H CYS 24 -7.484 -0.209 3.576 178 HN2 NH2 25 1H CYS 24 -6.964 0.842 2.350 Start of MODEL 8 1 H1 VAL 1 1HT VAL 1 11.581 -0.333 1.845 2 H2 VAL 1 2HT VAL 1 10.096 -0.930 2.415 3 H3 VAL 1 3HT VAL 1 10.592 0.644 2.802 4 HA VAL 1 HA VAL 1 10.103 1.488 0.740 5 HB VAL 1 HB VAL 1 9.904 -0.163 -1.220 6 HG11 VAL 1 2HG1 VAL 1 12.623 -0.368 0.040 7 HG12 VAL 1 3HG1 VAL 1 11.989 1.205 -0.437 8 HG13 VAL 1 1HG1 VAL 1 12.190 -0.061 -1.640 9 HG21 VAL 1 1HG2 VAL 1 10.906 -2.370 -0.922 10 HG22 VAL 1 2HG2 VAL 1 9.565 -2.193 0.199 11 HG23 VAL 1 3HG2 VAL 1 11.225 -2.036 0.773 12 H GLY 2 H GLY 2 7.943 2.050 0.557 13 HA2 GLY 2 2HA GLY 2 5.882 -0.061 0.531 14 HA3 GLY 2 1HA GLY 2 5.818 1.037 1.896 15 H GLU 3 H GLU 3 6.940 2.346 -1.125 16 HA GLU 3 HA GLU 3 4.885 4.354 -1.195 17 HB2 GLU 3 2HB GLU 3 5.977 4.925 -3.360 18 HB3 GLU 3 1HB GLU 3 7.154 4.667 -2.074 19 HG2 GLU 3 2HG GLU 3 7.509 2.349 -2.873 20 HG3 GLU 3 1HG GLU 3 6.350 2.621 -4.168 21 H ARG 4 H ARG 4 5.352 1.366 -3.025 22 HA ARG 4 HA ARG 4 3.435 1.585 -5.035 23 HB2 ARG 4 2HB ARG 4 4.176 -0.803 -3.328 24 HB3 ARG 4 1HB ARG 4 3.323 -0.902 -4.865 25 HG2 ARG 4 2HG ARG 4 6.104 0.217 -4.426 26 HG3 ARG 4 1HG ARG 4 5.689 -1.286 -5.231 27 HD2 ARG 4 2HD ARG 4 5.186 -0.237 -7.191 28 HD3 ARG 4 1HD ARG 4 4.302 1.058 -6.367 29 HE ARG 4 HE ARG 4 6.315 2.314 -6.239 30 HH11 ARG 4 1HH2 ARG 4 6.932 -1.002 -7.102 31 HH12 ARG 4 2HH2 ARG 4 8.611 -0.742 -7.395 32 HH21 ARG 4 1HH1 ARG 4 8.501 2.664 -6.638 33 HH22 ARG 4 2HH1 ARG 4 9.504 1.337 -7.132 34 H CYS 5 H CYS 5 2.824 1.016 -1.587 35 HA CYS 5 HA CYS 5 0.138 0.049 -1.860 36 HB2 CYS 5 2HB CYS 5 1.524 -0.150 0.177 37 HB3 CYS 5 1HB CYS 5 1.462 1.601 0.388 38 H CYS 6 H CYS 6 0.936 3.289 -0.509 39 HA CYS 6 HA CYS 6 -1.628 4.398 -1.061 40 HB2 CYS 6 2HB CYS 6 0.805 5.158 0.140 41 HB3 CYS 6 1HB CYS 6 0.505 6.363 -1.110 42 H LYS 7 H LYS 7 1.359 4.373 -3.014 43 HA LYS 7 HA LYS 7 0.639 6.172 -5.067 44 HB2 LYS 7 2HB LYS 7 2.273 3.644 -4.915 45 HB3 LYS 7 1HB LYS 7 2.100 4.498 -6.448 46 HG2 LYS 7 2HG LYS 7 2.782 6.218 -4.142 47 HG3 LYS 7 1HG LYS 7 4.029 5.057 -4.593 48 HD2 LYS 7 2HD LYS 7 2.670 6.938 -6.542 49 HD3 LYS 7 1HD LYS 7 4.241 7.244 -5.800 50 HE2 LYS 7 2HE LYS 7 5.093 5.108 -6.780 51 HE3 LYS 7 1HE LYS 7 3.536 4.904 -7.609 52 HZ1 LYS 7 3HZ LYS 7 3.942 7.314 -8.379 53 HZ2 LYS 7 1HZ LYS 7 4.786 6.069 -9.150 54 HZ3 LYS 7 2HZ LYS 7 5.565 7.009 -7.977 55 H ASN 8 H ASN 8 -0.197 2.754 -4.689 56 HA ASN 8 HA ASN 8 -1.806 2.815 -7.180 57 HB2 ASN 8 2HB ASN 8 -0.506 0.832 -5.423 58 HB3 ASN 8 1HB ASN 8 -2.021 0.312 -6.125 59 HD21 ASN 8 1HD2 ASN 8 1.279 0.581 -6.746 60 HD22 ASN 8 2HD2 ASN 8 1.211 0.386 -8.423 61 H GLY 9 H GLY 9 -2.266 2.948 -3.730 62 HA2 GLY 9 2HA GLY 9 -4.236 3.132 -2.456 63 HA3 GLY 9 1HA GLY 9 -5.075 3.510 -3.961 64 H LYS 10 H LYS 10 -6.618 2.045 -4.497 65 HA LYS 10 HA LYS 10 -7.096 -0.406 -3.159 66 HB2 LYS 10 2HB LYS 10 -8.449 -0.906 -5.269 67 HB3 LYS 10 1HB LYS 10 -8.815 0.620 -4.470 68 HG2 LYS 10 2HG LYS 10 -8.356 1.714 -6.384 69 HG3 LYS 10 1HG LYS 10 -6.697 1.126 -6.311 70 HD2 LYS 10 2HD LYS 10 -7.064 -0.256 -8.044 71 HD3 LYS 10 1HD LYS 10 -8.411 -1.010 -7.195 72 HE2 LYS 10 2HE LYS 10 -8.742 1.663 -8.553 73 HE3 LYS 10 1HE LYS 10 -8.924 0.147 -9.458 74 HZ1 LYS 10 3HZ LYS 10 -10.263 0.479 -6.851 75 HZ2 LYS 10 1HZ LYS 10 -10.672 -0.538 -8.137 76 HZ3 LYS 10 2HZ LYS 10 -10.972 1.129 -8.253 77 H ARG 11 H ARG 11 -4.990 0.310 -5.892 78 HA ARG 11 HA ARG 11 -4.450 -2.500 -6.527 79 HB2 ARG 11 2HB ARG 11 -3.190 0.144 -7.330 80 HB3 ARG 11 1HB ARG 11 -2.723 -1.409 -8.014 81 HG2 ARG 11 2HG ARG 11 -5.519 -1.350 -8.175 82 HG3 ARG 11 1HG ARG 11 -4.976 0.253 -8.678 83 HD2 ARG 11 2HD ARG 11 -3.151 -1.481 -9.913 84 HD3 ARG 11 1HD ARG 11 -4.721 -2.285 -10.095 85 HE ARG 11 HE ARG 11 -5.564 -0.360 -11.250 86 HH11 ARG 11 1HH2 ARG 11 -2.293 0.068 -10.132 87 HH12 ARG 11 2HH2 ARG 11 -1.966 1.382 -11.194 88 HH21 ARG 11 1HH1 ARG 11 -5.132 1.384 -12.644 89 HH22 ARG 11 2HH1 ARG 11 -3.575 2.139 -12.616 90 H GLY 12 H GLY 12 -3.285 -0.186 -4.278 91 HA2 GLY 12 2HA GLY 12 -0.651 -1.423 -3.926 92 HA3 GLY 12 1HA GLY 12 -1.323 -0.103 -2.962 93 H CYS 13 H CYS 13 -3.864 -1.657 -2.513 94 HA CYS 13 HA CYS 13 -3.295 -2.824 -0.001 95 HB2 CYS 13 2HB CYS 13 -5.507 -2.765 -1.963 96 HB3 CYS 13 1HB CYS 13 -5.548 -4.138 -0.853 97 H GLY 14 H GLY 14 -2.163 -4.616 0.485 98 HA2 GLY 14 2HA GLY 14 -2.555 -7.197 -0.533 99 HA3 GLY 14 1HA GLY 14 -1.246 -6.500 -1.489 100 H ARG 15 H ARG 15 -0.743 -8.684 0.195 101 HA ARG 15 HA ARG 15 0.035 -8.271 2.836 102 HB2 ARG 15 2HB ARG 15 1.894 -9.956 2.254 103 HB3 ARG 15 1HB ARG 15 0.243 -10.443 1.888 104 HG2 ARG 15 2HG ARG 15 0.755 -10.676 -0.289 105 HG3 ARG 15 1HG ARG 15 1.325 -9.014 -0.370 106 HD2 ARG 15 2HD ARG 15 3.156 -10.540 -0.980 107 HD3 ARG 15 1HD ARG 15 3.530 -9.785 0.584 108 HE ARG 15 HE ARG 15 1.991 -12.225 0.925 109 HH11 ARG 15 1HH2 ARG 15 5.165 -10.954 0.300 110 HH12 ARG 15 2HH2 ARG 15 5.985 -12.327 0.953 111 HH21 ARG 15 1HH1 ARG 15 3.071 -14.032 1.775 112 HH22 ARG 15 2HH1 ARG 15 4.800 -14.075 1.783 113 H TRP 16 H TRP 16 1.917 -7.391 -0.072 114 HA TRP 16 HA TRP 16 4.299 -6.487 1.181 115 HB2 TRP 16 2HB TRP 16 3.720 -6.777 -1.292 116 HB3 TRP 16 1HB TRP 16 2.906 -5.214 -1.193 117 HD1 TRP 16 HD TRP 16 6.349 -6.828 -0.953 118 HE1 TRP 16 1HE TRP 16 8.137 -5.034 -1.239 119 HE3 TRP 16 3HE TRP 16 3.416 -2.656 -0.932 120 HZ2 TRP 16 2HZ TRP 16 8.326 -2.190 -1.443 121 HZ3 TRP 16 3HZ TRP 16 4.430 -0.419 -1.177 122 HH2 TRP 16 HH TRP 16 6.881 -0.177 -1.431 123 H CYS 17 H CYS 17 1.544 -4.424 0.103 124 HA CYS 17 HA CYS 17 2.410 -2.087 1.505 125 HB2 CYS 17 2HB CYS 17 0.792 -1.721 -0.125 126 HB3 CYS 17 1HB CYS 17 -0.146 -3.119 0.343 127 H ARG 18 H ARG 18 0.170 -4.677 2.436 128 HA ARG 18 HA ARG 18 -0.743 -3.644 4.909 129 HB2 ARG 18 2HB ARG 18 -1.118 -5.917 3.527 130 HB3 ARG 18 1HB ARG 18 0.018 -6.531 4.724 131 HG2 ARG 18 2HG ARG 18 -1.423 -5.655 6.536 132 HG3 ARG 18 1HG ARG 18 -2.575 -5.079 5.334 133 HD2 ARG 18 2HD ARG 18 -1.794 -7.966 5.173 134 HD3 ARG 18 1HD ARG 18 -2.855 -7.478 6.508 135 HE ARG 18 HE ARG 18 -3.625 -6.392 3.876 136 HH11 ARG 18 1HH2 ARG 18 -3.936 -8.985 6.177 137 HH12 ARG 18 2HH2 ARG 18 -5.507 -9.453 5.632 138 HH21 ARG 18 1HH1 ARG 18 -5.707 -6.992 3.189 139 HH22 ARG 18 2HH1 ARG 18 -6.515 -8.318 3.953 140 H ASP 19 H ASP 19 2.247 -5.463 4.209 141 HA ASP 19 HA ASP 19 3.167 -5.208 7.012 142 HB2 ASP 19 2HB ASP 19 3.321 -7.175 5.189 143 HB3 ASP 19 1HB ASP 19 4.825 -6.346 4.799 144 H HIS 20 H HIS 20 3.968 -3.917 3.797 145 HA HIS 20 HA HIS 20 6.304 -2.416 4.914 146 HB2 HIS 20 2HB HIS 20 5.317 -2.913 2.085 147 HB3 HIS 20 1HB HIS 20 6.840 -2.146 2.508 148 HD1 HIS 20 1HD HIS 20 5.063 -5.504 2.878 149 HD2 HIS 20 2HD HIS 20 8.912 -3.924 2.937 150 HE1 HIS 20 1HE HIS 20 6.652 -7.480 2.921 151 H SER 21 H SER 21 3.008 -1.790 4.316 152 HA SER 21 HA SER 21 3.628 1.110 3.880 153 HB2 SER 21 2HB SER 21 1.474 -0.579 2.586 154 HB3 SER 21 1HB SER 21 1.789 1.108 2.255 155 HG SER 21 HG SER 21 4.075 0.037 1.872 156 H ARG 22 H ARG 22 1.786 2.520 4.398 157 HA ARG 22 HA ARG 22 -0.099 1.407 6.452 158 HB2 ARG 22 2HB ARG 22 1.995 3.456 6.593 159 HB3 ARG 22 1HB ARG 22 0.421 4.082 7.071 160 HG2 ARG 22 2HG ARG 22 0.276 1.856 8.469 161 HG3 ARG 22 1HG ARG 22 2.032 1.878 8.312 162 HD2 ARG 22 2HD ARG 22 1.435 3.042 10.380 163 HD3 ARG 22 1HD ARG 22 2.003 4.252 9.223 164 HE ARG 22 HE ARG 22 -0.843 3.762 9.958 165 HH11 ARG 22 1HH2 ARG 22 1.557 5.556 8.138 166 HH12 ARG 22 2HH2 ARG 22 0.470 6.840 7.765 167 HH21 ARG 22 1HH1 ARG 22 -2.230 5.454 9.443 168 HH22 ARG 22 2HH1 ARG 22 -1.666 6.783 8.493 169 H CYS 23 H CYS 23 -0.875 1.576 3.818 170 HA CYS 23 HA CYS 23 -2.745 3.906 3.815 171 HB2 CYS 23 2HB CYS 23 -0.605 4.344 2.527 172 HB3 CYS 23 1HB CYS 23 -1.036 3.002 1.472 173 H CYS 24 H CYS 24 -3.316 1.182 4.459 174 HA CYS 24 HA CYS 24 -5.418 0.573 2.521 175 HB2 CYS 24 2HB CYS 24 -2.754 -0.567 2.298 176 HB3 CYS 24 1HB CYS 24 -3.951 -1.837 2.552 177 HN1 NH2 25 2H CYS 24 -6.411 -0.456 5.866 178 HN2 NH2 25 1H CYS 24 -6.369 0.899 4.844 Start of MODEL 9 1 H1 VAL 1 1HT VAL 1 10.687 1.746 1.271 2 H2 VAL 1 2HT VAL 1 10.211 2.089 -0.324 3 H3 VAL 1 3HT VAL 1 11.463 0.985 -0.028 4 HA VAL 1 HA VAL 1 9.495 -0.244 -0.589 5 HB VAL 1 HB VAL 1 9.329 -0.801 2.254 6 HG11 VAL 1 2HG1 VAL 1 10.872 -2.215 0.048 7 HG12 VAL 1 3HG1 VAL 1 9.143 -2.406 0.347 8 HG13 VAL 1 1HG1 VAL 1 10.307 -2.923 1.567 9 HG21 VAL 1 1HG2 VAL 1 11.819 -1.257 2.577 10 HG22 VAL 1 2HG2 VAL 1 11.355 0.441 2.636 11 HG23 VAL 1 3HG2 VAL 1 12.114 -0.215 1.185 12 H GLY 2 H GLY 2 7.294 -0.886 0.263 13 HA2 GLY 2 2HA GLY 2 5.112 -0.386 0.934 14 HA3 GLY 2 1HA GLY 2 5.787 0.834 1.985 15 H GLU 3 H GLU 3 7.021 2.451 -0.115 16 HA GLU 3 HA GLU 3 5.233 4.406 -0.713 17 HB2 GLU 3 2HB GLU 3 6.712 4.870 -2.684 18 HB3 GLU 3 1HB GLU 3 7.616 4.477 -1.218 19 HG2 GLU 3 2HG GLU 3 7.351 1.995 -2.188 20 HG3 GLU 3 1HG GLU 3 7.253 2.881 -3.709 21 H ARG 4 H ARG 4 5.570 1.460 -2.656 22 HA ARG 4 HA ARG 4 3.944 2.185 -4.855 23 HB2 ARG 4 2HB ARG 4 4.241 -0.535 -3.568 24 HB3 ARG 4 1HB ARG 4 3.814 -0.212 -5.243 25 HG2 ARG 4 2HG ARG 4 6.466 0.344 -3.887 26 HG3 ARG 4 1HG ARG 4 6.134 -0.769 -5.199 27 HD2 ARG 4 2HD ARG 4 5.215 1.687 -6.162 28 HD3 ARG 4 1HD ARG 4 6.748 2.063 -5.358 29 HE ARG 4 HE ARG 4 6.403 0.322 -7.695 30 HH11 ARG 4 1HH2 ARG 4 8.414 1.194 -4.970 31 HH12 ARG 4 2HH2 ARG 4 9.850 0.537 -5.672 32 HH21 ARG 4 1HH1 ARG 4 8.269 -0.544 -8.580 33 HH22 ARG 4 2HH1 ARG 4 9.769 -0.449 -7.720 34 H CYS 5 H CYS 5 2.970 1.165 -1.611 35 HA CYS 5 HA CYS 5 0.332 0.263 -2.222 36 HB2 CYS 5 2HB CYS 5 1.482 -0.138 -0.107 37 HB3 CYS 5 1HB CYS 5 1.465 1.587 0.256 38 H CYS 6 H CYS 6 0.892 3.354 -0.477 39 HA CYS 6 HA CYS 6 -1.603 4.509 -1.043 40 HB2 CYS 6 2HB CYS 6 0.903 5.260 0.066 41 HB3 CYS 6 1HB CYS 6 0.462 6.522 -1.083 42 H LYS 7 H LYS 7 1.302 4.443 -3.072 43 HA LYS 7 HA LYS 7 0.499 6.324 -5.065 44 HB2 LYS 7 2HB LYS 7 2.329 3.962 -4.850 45 HB3 LYS 7 1HB LYS 7 2.029 4.637 -6.451 46 HG2 LYS 7 2HG LYS 7 2.823 6.397 -4.130 47 HG3 LYS 7 1HG LYS 7 4.033 5.579 -5.113 48 HD2 LYS 7 2HD LYS 7 1.890 7.424 -6.211 49 HD3 LYS 7 1HD LYS 7 3.557 7.900 -5.901 50 HE2 LYS 7 2HE LYS 7 4.308 6.075 -7.480 51 HE3 LYS 7 1HE LYS 7 2.610 5.812 -7.899 52 HZ1 LYS 7 3HZ LYS 7 4.200 8.286 -8.258 53 HZ2 LYS 7 1HZ LYS 7 2.508 8.288 -8.328 54 HZ3 LYS 7 2HZ LYS 7 3.405 7.375 -9.445 55 H ASN 8 H ASN 8 -0.142 2.872 -4.689 56 HA ASN 8 HA ASN 8 -1.673 2.802 -7.224 57 HB2 ASN 8 2HB ASN 8 -0.269 0.944 -5.417 58 HB3 ASN 8 1HB ASN 8 -1.730 0.294 -6.134 59 HD21 ASN 8 1HD2 ASN 8 1.545 0.702 -6.690 60 HD22 ASN 8 2HD2 ASN 8 1.531 0.532 -8.378 61 H GLY 9 H GLY 9 -2.249 2.854 -3.773 62 HA2 GLY 9 2HA GLY 9 -4.276 2.960 -2.585 63 HA3 GLY 9 1HA GLY 9 -5.070 3.299 -4.116 64 H LYS 10 H LYS 10 -6.482 1.767 -4.791 65 HA LYS 10 HA LYS 10 -7.055 -0.635 -3.412 66 HB2 LYS 10 2HB LYS 10 -7.619 0.564 -6.092 67 HB3 LYS 10 1HB LYS 10 -7.963 -1.154 -5.908 68 HG2 LYS 10 2HG LYS 10 -8.894 0.609 -3.701 69 HG3 LYS 10 1HG LYS 10 -9.742 0.773 -5.239 70 HD2 LYS 10 2HD LYS 10 -9.966 -1.765 -5.255 71 HD3 LYS 10 1HD LYS 10 -9.384 -1.748 -3.592 72 HE2 LYS 10 2HE LYS 10 -11.752 -0.075 -4.479 73 HE3 LYS 10 1HE LYS 10 -11.933 -1.730 -3.875 74 HZ1 LYS 10 3HZ LYS 10 -11.595 -1.037 -1.804 75 HZ2 LYS 10 1HZ LYS 10 -11.638 0.559 -2.353 76 HZ3 LYS 10 2HZ LYS 10 -10.153 -0.244 -2.224 77 H ARG 11 H ARG 11 -4.771 0.021 -6.019 78 HA ARG 11 HA ARG 11 -4.125 -2.784 -6.519 79 HB2 ARG 11 2HB ARG 11 -2.814 -0.141 -7.237 80 HB3 ARG 11 1HB ARG 11 -2.305 -1.696 -7.891 81 HG2 ARG 11 2HG ARG 11 -5.041 -1.715 -8.316 82 HG3 ARG 11 1HG ARG 11 -4.612 -0.028 -8.610 83 HD2 ARG 11 2HD ARG 11 -3.177 -2.395 -9.866 84 HD3 ARG 11 1HD ARG 11 -4.433 -1.432 -10.675 85 HE ARG 11 HE ARG 11 -2.256 0.183 -9.522 86 HH11 ARG 11 1HH2 ARG 11 -3.371 -1.628 -12.280 87 HH12 ARG 11 2HH2 ARG 11 -2.440 -0.714 -13.413 88 HH21 ARG 11 1HH1 ARG 11 -1.077 1.401 -11.003 89 HH22 ARG 11 2HH1 ARG 11 -1.138 1.013 -12.692 90 H GLY 12 H GLY 12 -3.037 -0.271 -4.412 91 HA2 GLY 12 2HA GLY 12 -0.504 -1.493 -3.704 92 HA3 GLY 12 1HA GLY 12 -1.274 -0.153 -2.856 93 H CYS 13 H CYS 13 -3.822 -1.616 -2.465 94 HA CYS 13 HA CYS 13 -3.361 -2.758 0.084 95 HB2 CYS 13 2HB CYS 13 -5.527 -2.377 -1.769 96 HB3 CYS 13 1HB CYS 13 -5.647 -3.991 -1.066 97 H GLY 14 H GLY 14 -2.479 -4.655 0.686 98 HA2 GLY 14 2HA GLY 14 -2.923 -7.217 -0.185 99 HA3 GLY 14 1HA GLY 14 -1.690 -6.638 -1.309 100 H ARG 15 H ARG 15 -0.945 -8.713 0.300 101 HA ARG 15 HA ARG 15 0.059 -8.403 2.853 102 HB2 ARG 15 2HB ARG 15 0.309 -10.473 1.690 103 HB3 ARG 15 1HB ARG 15 1.157 -9.708 0.349 104 HG2 ARG 15 2HG ARG 15 3.074 -10.322 1.351 105 HG3 ARG 15 1HG ARG 15 2.721 -9.101 2.573 106 HD2 ARG 15 2HD ARG 15 1.125 -11.240 3.365 107 HD3 ARG 15 1HD ARG 15 2.618 -12.025 2.808 108 HE ARG 15 HE ARG 15 3.093 -9.641 4.460 109 HH11 ARG 15 1HH2 ARG 15 2.559 -13.083 4.404 110 HH12 ARG 15 2HH2 ARG 15 3.294 -13.348 5.943 111 HH21 ARG 15 1HH1 ARG 15 4.058 -9.984 6.480 112 HH22 ARG 15 2HH1 ARG 15 4.150 -11.593 7.122 113 H TRP 16 H TRP 16 1.823 -7.476 -0.124 114 HA TRP 16 HA TRP 16 4.164 -6.404 0.953 115 HB2 TRP 16 2HB TRP 16 3.359 -6.714 -1.459 116 HB3 TRP 16 1HB TRP 16 2.560 -5.150 -1.281 117 HD1 TRP 16 HD TRP 16 6.000 -6.774 -1.432 118 HE1 TRP 16 1HE TRP 16 7.742 -4.952 -1.855 119 HE3 TRP 16 3HE TRP 16 3.067 -2.636 -0.929 120 HZ2 TRP 16 2HZ TRP 16 7.879 -2.081 -1.996 121 HZ3 TRP 16 3HZ TRP 16 4.020 -0.387 -1.223 122 HH2 TRP 16 HH TRP 16 6.419 -0.097 -1.753 123 H CYS 17 H CYS 17 1.279 -4.410 0.115 124 HA CYS 17 HA CYS 17 2.218 -2.084 1.509 125 HB2 CYS 17 2HB CYS 17 0.534 -1.868 -0.169 126 HB3 CYS 17 1HB CYS 17 -0.489 -3.063 0.601 127 H ARG 18 H ARG 18 0.020 -4.719 2.482 128 HA ARG 18 HA ARG 18 -0.782 -3.734 5.019 129 HB2 ARG 18 2HB ARG 18 -0.998 -6.080 3.539 130 HB3 ARG 18 1HB ARG 18 -0.143 -6.592 4.991 131 HG2 ARG 18 2HG ARG 18 -1.879 -5.619 6.405 132 HG3 ARG 18 1HG ARG 18 -2.724 -4.996 4.986 133 HD2 ARG 18 2HD ARG 18 -2.126 -7.944 5.188 134 HD3 ARG 18 1HD ARG 18 -3.527 -7.270 6.041 135 HE ARG 18 HE ARG 18 -3.224 -7.475 3.128 136 HH11 ARG 18 1HH2 ARG 18 -4.763 -5.852 5.808 137 HH12 ARG 18 2HH2 ARG 18 -6.118 -5.321 4.869 138 HH21 ARG 18 1HH1 ARG 18 -5.000 -6.785 1.918 139 HH22 ARG 18 2HH1 ARG 18 -6.251 -5.851 2.665 140 H ASP 19 H ASP 19 2.223 -5.427 4.118 141 HA ASP 19 HA ASP 19 3.222 -5.287 6.917 142 HB2 ASP 19 2HB ASP 19 3.373 -7.169 4.967 143 HB3 ASP 19 1HB ASP 19 4.887 -6.312 4.674 144 H HIS 20 H HIS 20 3.940 -3.934 3.698 145 HA HIS 20 HA HIS 20 6.294 -2.447 4.775 146 HB2 HIS 20 2HB HIS 20 5.141 -2.798 1.989 147 HB3 HIS 20 1HB HIS 20 6.666 -2.003 2.349 148 HD1 HIS 20 1HD HIS 20 5.002 -5.411 2.515 149 HD2 HIS 20 2HD HIS 20 8.814 -3.762 2.696 150 HE1 HIS 20 1HE HIS 20 6.629 -7.351 2.451 151 H SER 21 H SER 21 2.960 -1.845 4.073 152 HA SER 21 HA SER 21 3.533 1.096 3.889 153 HB2 SER 21 2HB SER 21 1.407 -0.643 2.632 154 HB3 SER 21 1HB SER 21 1.499 1.098 2.439 155 HG SER 21 HG SER 21 3.255 0.883 1.218 156 H ARG 22 H ARG 22 1.705 2.447 4.538 157 HA ARG 22 HA ARG 22 -0.087 1.274 6.628 158 HB2 ARG 22 2HB ARG 22 1.650 3.770 6.661 159 HB3 ARG 22 1HB ARG 22 0.347 3.508 7.817 160 HG2 ARG 22 2HG ARG 22 1.474 1.244 8.321 161 HG3 ARG 22 1HG ARG 22 2.870 1.880 7.451 162 HD2 ARG 22 2HD ARG 22 3.148 2.330 9.843 163 HD3 ARG 22 1HD ARG 22 2.855 3.866 9.005 164 HE ARG 22 HE ARG 22 0.384 2.574 9.887 165 HH11 ARG 22 1HH2 ARG 22 3.033 4.635 10.811 166 HH12 ARG 22 2HH2 ARG 22 2.146 5.421 12.069 167 HH21 ARG 22 1HH1 ARG 22 -0.775 3.658 11.516 168 HH22 ARG 22 2HH1 ARG 22 -0.004 4.891 12.445 169 H CYS 23 H CYS 23 -0.720 1.677 3.892 170 HA CYS 23 HA CYS 23 -2.583 4.036 3.973 171 HB2 CYS 23 2HB CYS 23 -0.488 4.274 2.585 172 HB3 CYS 23 1HB CYS 23 -1.022 2.902 1.622 173 H CYS 24 H CYS 24 -3.037 1.092 4.580 174 HA CYS 24 HA CYS 24 -5.425 0.755 2.896 175 HB2 CYS 24 2HB CYS 24 -2.906 -0.356 2.148 176 HB3 CYS 24 1HB CYS 24 -3.948 -1.692 2.644 177 HN1 NH2 25 2H CYS 24 -6.263 -0.585 6.126 178 HN2 NH2 25 1H CYS 24 -6.367 0.798 5.146 Start of MODEL 10 1 H1 VAL 1 1HT VAL 1 11.077 1.428 2.199 2 H2 VAL 1 2HT VAL 1 11.197 -0.259 2.265 3 H3 VAL 1 3HT VAL 1 9.896 0.524 3.011 4 HA VAL 1 HA VAL 1 10.039 1.215 0.238 5 HB VAL 1 HB VAL 1 9.446 -1.067 -0.575 6 HG11 VAL 1 2HG1 VAL 1 11.913 -0.106 -0.246 7 HG12 VAL 1 3HG1 VAL 1 11.639 -1.742 -0.842 8 HG13 VAL 1 1HG1 VAL 1 12.041 -1.478 0.853 9 HG21 VAL 1 1HG2 VAL 1 8.702 -1.776 1.823 10 HG22 VAL 1 2HG2 VAL 1 10.408 -2.153 2.074 11 HG23 VAL 1 3HG2 VAL 1 9.498 -2.984 0.813 12 H GLY 2 H GLY 2 7.725 0.665 -0.658 13 HA2 GLY 2 2HA GLY 2 5.467 -0.164 0.304 14 HA3 GLY 2 1HA GLY 2 5.791 0.966 1.594 15 H GLU 3 H GLU 3 7.031 2.711 -0.761 16 HA GLU 3 HA GLU 3 4.990 4.599 -1.008 17 HB2 GLU 3 2HB GLU 3 6.273 5.306 -3.053 18 HB3 GLU 3 1HB GLU 3 7.277 5.026 -1.634 19 HG2 GLU 3 2HG GLU 3 8.158 3.058 -2.475 20 HG3 GLU 3 1HG GLU 3 6.779 2.756 -3.524 21 H ARG 4 H ARG 4 5.423 1.664 -2.886 22 HA ARG 4 HA ARG 4 3.734 2.221 -5.105 23 HB2 ARG 4 2HB ARG 4 4.139 -0.414 -3.671 24 HB3 ARG 4 1HB ARG 4 3.681 -0.195 -5.356 25 HG2 ARG 4 2HG ARG 4 6.331 0.426 -4.048 26 HG3 ARG 4 1HG ARG 4 5.994 -0.665 -5.381 27 HD2 ARG 4 2HD ARG 4 5.058 1.753 -6.358 28 HD3 ARG 4 1HD ARG 4 6.518 2.213 -5.459 29 HE ARG 4 HE ARG 4 6.635 -0.146 -7.284 30 HH11 ARG 4 1HH2 ARG 4 7.616 3.127 -6.502 31 HH12 ARG 4 2HH2 ARG 4 8.994 3.068 -7.544 32 HH21 ARG 4 1HH1 ARG 4 8.444 -0.163 -8.645 33 HH22 ARG 4 2HH1 ARG 4 9.461 1.234 -8.740 34 H CYS 5 H CYS 5 2.929 1.395 -1.778 35 HA CYS 5 HA CYS 5 0.290 0.395 -2.271 36 HB2 CYS 5 2HB CYS 5 1.576 0.043 -0.198 37 HB3 CYS 5 1HB CYS 5 1.421 1.761 0.188 38 H CYS 6 H CYS 6 0.946 3.592 -0.683 39 HA CYS 6 HA CYS 6 -1.655 4.608 -1.085 40 HB2 CYS 6 2HB CYS 6 0.898 6.237 -1.179 41 HB3 CYS 6 1HB CYS 6 -0.693 6.774 -0.669 42 H LYS 7 H LYS 7 1.139 4.739 -3.293 43 HA LYS 7 HA LYS 7 0.088 6.469 -5.282 44 HB2 LYS 7 2HB LYS 7 2.209 4.487 -4.960 45 HB3 LYS 7 1HB LYS 7 1.559 4.473 -6.595 46 HG2 LYS 7 2HG LYS 7 2.445 6.484 -7.095 47 HG3 LYS 7 1HG LYS 7 1.980 7.178 -5.542 48 HD2 LYS 7 2HD LYS 7 4.276 7.182 -5.279 49 HD3 LYS 7 1HD LYS 7 3.921 5.571 -4.658 50 HE2 LYS 7 2HE LYS 7 5.684 5.215 -6.225 51 HE3 LYS 7 1HE LYS 7 4.225 4.787 -7.131 52 HZ1 LYS 7 3HZ LYS 7 4.165 6.880 -8.162 53 HZ2 LYS 7 1HZ LYS 7 5.791 6.423 -8.241 54 HZ3 LYS 7 2HZ LYS 7 5.288 7.554 -7.076 55 H ASN 8 H ASN 8 -0.240 2.966 -4.910 56 HA ASN 8 HA ASN 8 -2.018 2.811 -7.267 57 HB2 ASN 8 2HB ASN 8 -0.415 1.003 -5.536 58 HB3 ASN 8 1HB ASN 8 -1.822 0.299 -6.310 59 HD21 ASN 8 1HD2 ASN 8 1.415 0.875 -6.808 60 HD22 ASN 8 2HD2 ASN 8 1.426 0.841 -8.497 61 H GLY 9 H GLY 9 -2.271 2.806 -3.782 62 HA2 GLY 9 2HA GLY 9 -4.136 2.608 -2.363 63 HA3 GLY 9 1HA GLY 9 -5.083 3.153 -3.747 64 H LYS 10 H LYS 10 -6.500 1.698 -4.590 65 HA LYS 10 HA LYS 10 -6.945 -0.893 -3.514 66 HB2 LYS 10 2HB LYS 10 -7.660 0.492 -6.104 67 HB3 LYS 10 1HB LYS 10 -8.208 -1.151 -5.771 68 HG2 LYS 10 2HG LYS 10 -9.676 -0.476 -4.141 69 HG3 LYS 10 1HG LYS 10 -8.627 0.835 -3.595 70 HD2 LYS 10 2HD LYS 10 -9.923 2.269 -4.737 71 HD3 LYS 10 1HD LYS 10 -9.370 1.512 -6.230 72 HE2 LYS 10 2HE LYS 10 -11.706 0.456 -4.593 73 HE3 LYS 10 1HE LYS 10 -11.883 1.542 -5.985 74 HZ1 LYS 10 3HZ LYS 10 -12.019 -0.760 -6.696 75 HZ2 LYS 10 1HZ LYS 10 -10.516 -1.104 -6.002 76 HZ3 LYS 10 2HZ LYS 10 -10.616 -0.044 -7.328 77 H ARG 11 H ARG 11 -4.843 0.210 -6.112 78 HA ARG 11 HA ARG 11 -4.254 -2.445 -7.156 79 HB2 ARG 11 2HB ARG 11 -2.941 0.270 -7.446 80 HB3 ARG 11 1HB ARG 11 -2.509 -1.138 -8.409 81 HG2 ARG 11 2HG ARG 11 -4.633 -1.187 -9.461 82 HG3 ARG 11 1HG ARG 11 -5.347 -0.113 -8.257 83 HD2 ARG 11 2HD ARG 11 -4.902 1.587 -9.708 84 HD3 ARG 11 1HD ARG 11 -3.196 1.355 -9.288 85 HE ARG 11 HE ARG 11 -4.423 -0.342 -11.415 86 HH11 ARG 11 1HH2 ARG 11 -2.056 2.023 -10.374 87 HH12 ARG 11 2HH2 ARG 11 -1.189 1.973 -11.865 88 HH21 ARG 11 1HH1 ARG 11 -3.263 -0.383 -13.343 89 HH22 ARG 11 2HH1 ARG 11 -1.873 0.627 -13.541 90 H GLY 12 H GLY 12 -3.108 -0.535 -4.534 91 HA2 GLY 12 2HA GLY 12 -0.769 -2.366 -4.214 92 HA3 GLY 12 1HA GLY 12 -0.764 -0.688 -3.673 93 H CYS 13 H CYS 13 -3.673 -2.568 -3.199 94 HA CYS 13 HA CYS 13 -3.182 -2.445 -0.267 95 HB2 CYS 13 2HB CYS 13 -5.255 -1.586 -1.657 96 HB3 CYS 13 1HB CYS 13 -5.754 -3.272 -1.571 97 H GLY 14 H GLY 14 -1.710 -4.267 -0.330 98 HA2 GLY 14 2HA GLY 14 -3.137 -6.857 -0.232 99 HA3 GLY 14 1HA GLY 14 -1.764 -6.742 -1.333 100 H ARG 15 H ARG 15 -1.321 -8.584 0.467 101 HA ARG 15 HA ARG 15 -0.531 -8.047 3.083 102 HB2 ARG 15 2HB ARG 15 1.126 -9.929 2.709 103 HB3 ARG 15 1HB ARG 15 -0.525 -10.286 2.217 104 HG2 ARG 15 2HG ARG 15 0.192 -9.534 -0.138 105 HG3 ARG 15 1HG ARG 15 1.848 -9.631 0.465 106 HD2 ARG 15 2HD ARG 15 -0.180 -11.902 0.426 107 HD3 ARG 15 1HD ARG 15 1.273 -11.772 -0.578 108 HE ARG 15 HE ARG 15 1.215 -12.395 2.313 109 HH11 ARG 15 1HH2 ARG 15 3.058 -11.420 -0.477 110 HH12 ARG 15 2HH2 ARG 15 4.579 -11.844 0.222 111 HH21 ARG 15 1HH1 ARG 15 3.195 -12.973 3.217 112 HH22 ARG 15 2HH1 ARG 15 4.660 -12.749 2.324 113 H TRP 16 H TRP 16 1.429 -7.485 0.146 114 HA TRP 16 HA TRP 16 3.885 -6.722 1.375 115 HB2 TRP 16 2HB TRP 16 3.330 -7.029 -1.090 116 HB3 TRP 16 1HB TRP 16 2.594 -5.427 -1.041 117 HD1 TRP 16 HD TRP 16 5.955 -7.201 -0.700 118 HE1 TRP 16 1HE TRP 16 7.832 -5.504 -1.054 119 HE3 TRP 16 3HE TRP 16 3.218 -2.891 -0.908 120 HZ2 TRP 16 2HZ TRP 16 8.153 -2.677 -1.402 121 HZ3 TRP 16 3HZ TRP 16 4.338 -0.724 -1.265 122 HH2 TRP 16 HH TRP 16 6.792 -0.607 -1.520 123 H CYS 17 H CYS 17 1.336 -4.462 0.203 124 HA CYS 17 HA CYS 17 2.386 -2.183 1.566 125 HB2 CYS 17 2HB CYS 17 0.783 -1.832 -0.148 126 HB3 CYS 17 1HB CYS 17 -0.333 -3.003 0.540 127 H ARG 18 H ARG 18 -0.133 -4.533 2.485 128 HA ARG 18 HA ARG 18 -1.015 -3.518 4.930 129 HB2 ARG 18 2HB ARG 18 -1.058 -5.953 3.529 130 HB3 ARG 18 1HB ARG 18 -0.389 -6.362 5.108 131 HG2 ARG 18 2HG ARG 18 -2.284 -5.510 6.253 132 HG3 ARG 18 1HG ARG 18 -2.862 -4.654 4.823 133 HD2 ARG 18 2HD ARG 18 -2.566 -7.662 4.779 134 HD3 ARG 18 1HD ARG 18 -4.032 -6.910 5.433 135 HE ARG 18 HE ARG 18 -3.169 -6.860 2.615 136 HH11 ARG 18 1HH2 ARG 18 -5.112 -5.404 5.097 137 HH12 ARG 18 2HH2 ARG 18 -6.268 -4.760 3.991 138 HH21 ARG 18 1HH1 ARG 18 -4.689 -6.029 1.160 139 HH22 ARG 18 2HH1 ARG 18 -6.031 -5.111 1.750 140 H ASP 19 H ASP 19 1.992 -5.353 4.331 141 HA ASP 19 HA ASP 19 2.859 -4.960 7.143 142 HB2 ASP 19 2HB ASP 19 2.991 -7.088 5.534 143 HB3 ASP 19 1HB ASP 19 4.493 -6.314 5.033 144 H HIS 20 H HIS 20 3.814 -4.018 3.850 145 HA HIS 20 HA HIS 20 6.202 -2.555 4.871 146 HB2 HIS 20 2HB HIS 20 5.143 -3.102 2.073 147 HB3 HIS 20 1HB HIS 20 6.716 -2.409 2.447 148 HD1 HIS 20 1HD HIS 20 4.741 -5.616 2.987 149 HD2 HIS 20 2HD HIS 20 8.683 -4.297 2.922 150 HE1 HIS 20 1HE HIS 20 6.190 -7.684 3.175 151 H SER 21 H SER 21 2.965 -1.704 4.480 152 HA SER 21 HA SER 21 3.719 1.133 3.938 153 HB2 SER 21 2HB SER 21 1.846 -0.672 2.418 154 HB3 SER 21 1HB SER 21 1.691 1.071 2.337 155 HG SER 21 HG SER 21 3.645 1.217 1.401 156 H ARG 22 H ARG 22 2.737 2.366 5.528 157 HA ARG 22 HA ARG 22 0.388 1.349 7.012 158 HB2 ARG 22 2HB ARG 22 1.908 3.994 7.021 159 HB3 ARG 22 1HB ARG 22 0.661 3.563 8.186 160 HG2 ARG 22 2HG ARG 22 3.301 2.137 7.759 161 HG3 ARG 22 1HG ARG 22 2.863 3.134 9.144 162 HD2 ARG 22 2HD ARG 22 2.069 1.258 10.141 163 HD3 ARG 22 1HD ARG 22 0.797 1.217 8.908 164 HE ARG 22 HE ARG 22 3.458 0.105 8.195 165 HH11 ARG 22 1HH2 ARG 22 0.098 -0.409 9.001 166 HH12 ARG 22 2HH2 ARG 22 0.085 -2.026 8.401 167 HH21 ARG 22 1HH1 ARG 22 3.408 -2.006 7.409 168 HH22 ARG 22 2HH1 ARG 22 1.935 -2.921 7.487 169 H CYS 23 H CYS 23 -0.451 1.298 4.526 170 HA CYS 23 HA CYS 23 -2.148 3.739 4.143 171 HB2 CYS 23 2HB CYS 23 0.173 3.345 2.834 172 HB3 CYS 23 1HB CYS 23 -0.879 2.394 1.800 173 H CYS 24 H CYS 24 -2.103 0.399 4.518 174 HA CYS 24 HA CYS 24 -4.821 0.029 3.627 175 HB2 CYS 24 2HB CYS 24 -2.804 -0.049 1.629 176 HB3 CYS 24 1HB CYS 24 -3.300 -1.717 1.894 177 HN1 NH2 25 2H CYS 24 -3.565 -2.362 6.183 178 HN2 NH2 25 1H CYS 24 -3.855 -0.696 6.072 Start of MODEL 11 1 H1 VAL 1 1HT VAL 1 9.878 -0.682 2.465 2 H2 VAL 1 2HT VAL 1 10.445 0.911 2.488 3 H3 VAL 1 3HT VAL 1 11.273 -0.267 1.595 4 HA VAL 1 HA VAL 1 9.739 1.363 0.341 5 HB VAL 1 HB VAL 1 9.103 -0.604 -1.159 6 HG11 VAL 1 2HG1 VAL 1 11.908 -1.163 -0.484 7 HG12 VAL 1 3HG1 VAL 1 11.550 0.557 -0.650 8 HG13 VAL 1 1HG1 VAL 1 11.211 -0.546 -1.982 9 HG21 VAL 1 1HG2 VAL 1 9.305 -2.770 -0.452 10 HG22 VAL 1 2HG2 VAL 1 9.160 -2.071 1.160 11 HG23 VAL 1 3HG2 VAL 1 10.752 -2.427 0.497 12 H GLY 2 H GLY 2 7.444 1.207 -0.588 13 HA2 GLY 2 2HA GLY 2 5.288 -0.182 0.345 14 HA3 GLY 2 1HA GLY 2 5.562 0.948 1.650 15 H GLU 3 H GLU 3 6.541 3.032 -0.314 16 HA GLU 3 HA GLU 3 4.347 4.660 -0.605 17 HB2 GLU 3 2HB GLU 3 5.630 5.746 -2.418 18 HB3 GLU 3 1HB GLU 3 6.679 5.270 -1.085 19 HG2 GLU 3 2HG GLU 3 7.383 3.278 -2.285 20 HG3 GLU 3 1HG GLU 3 6.250 3.622 -3.588 21 H ARG 4 H ARG 4 5.206 2.046 -2.842 22 HA ARG 4 HA ARG 4 3.441 2.655 -4.965 23 HB2 ARG 4 2HB ARG 4 4.369 0.731 -5.732 24 HB3 ARG 4 1HB ARG 4 5.227 0.636 -4.199 25 HG2 ARG 4 2HG ARG 4 3.941 -1.069 -3.443 26 HG3 ARG 4 1HG ARG 4 2.461 -0.386 -4.104 27 HD2 ARG 4 2HD ARG 4 2.770 -1.401 -6.189 28 HD3 ARG 4 1HD ARG 4 4.529 -1.484 -5.996 29 HE ARG 4 HE ARG 4 4.251 -3.353 -4.462 30 HH11 ARG 4 1HH2 ARG 4 1.267 -2.191 -5.843 31 HH12 ARG 4 2HH2 ARG 4 0.410 -3.657 -5.532 32 HH21 ARG 4 1HH1 ARG 4 3.118 -5.266 -4.068 33 HH22 ARG 4 2HH1 ARG 4 1.455 -5.395 -4.531 34 H CYS 5 H CYS 5 2.796 1.415 -1.768 35 HA CYS 5 HA CYS 5 0.265 0.192 -2.153 36 HB2 CYS 5 2HB CYS 5 1.605 0.075 -0.103 37 HB3 CYS 5 1HB CYS 5 1.388 1.807 0.160 38 H CYS 6 H CYS 6 0.989 3.573 -1.189 39 HA CYS 6 HA CYS 6 -1.800 4.403 -1.509 40 HB2 CYS 6 2HB CYS 6 0.520 6.313 -1.463 41 HB3 CYS 6 1HB CYS 6 -1.036 6.432 -0.652 42 H LYS 7 H LYS 7 1.153 4.501 -3.480 43 HA LYS 7 HA LYS 7 0.281 6.304 -5.519 44 HB2 LYS 7 2HB LYS 7 2.298 4.167 -5.141 45 HB3 LYS 7 1HB LYS 7 1.864 4.490 -6.818 46 HG2 LYS 7 2HG LYS 7 2.954 6.473 -6.831 47 HG3 LYS 7 1HG LYS 7 2.263 6.955 -5.281 48 HD2 LYS 7 2HD LYS 7 4.584 6.780 -4.839 49 HD3 LYS 7 1HD LYS 7 3.915 5.263 -4.238 50 HE2 LYS 7 2HE LYS 7 5.306 4.139 -5.615 51 HE3 LYS 7 1HE LYS 7 4.481 4.879 -7.003 52 HZ1 LYS 7 3HZ LYS 7 6.768 5.519 -7.077 53 HZ2 LYS 7 1HZ LYS 7 6.762 6.007 -5.454 54 HZ3 LYS 7 2HZ LYS 7 5.879 6.887 -6.616 55 H ASN 8 H ASN 8 -0.243 2.841 -5.077 56 HA ASN 8 HA ASN 8 -1.818 2.688 -7.597 57 HB2 ASN 8 2HB ASN 8 -0.289 0.898 -5.816 58 HB3 ASN 8 1HB ASN 8 -1.729 0.182 -6.509 59 HD21 ASN 8 1HD2 ASN 8 1.503 0.939 -7.130 60 HD22 ASN 8 2HD2 ASN 8 1.480 0.669 -8.799 61 H GLY 9 H GLY 9 -2.358 3.002 -4.201 62 HA2 GLY 9 2HA GLY 9 -4.305 2.883 -2.907 63 HA3 GLY 9 1HA GLY 9 -5.175 3.191 -4.405 64 H LYS 10 H LYS 10 -6.505 1.570 -5.088 65 HA LYS 10 HA LYS 10 -6.971 -0.839 -3.699 66 HB2 LYS 10 2HB LYS 10 -7.468 0.179 -6.483 67 HB3 LYS 10 1HB LYS 10 -7.925 -1.474 -6.073 68 HG2 LYS 10 2HG LYS 10 -8.811 0.148 -3.923 69 HG3 LYS 10 1HG LYS 10 -9.272 0.987 -5.402 70 HD2 LYS 10 2HD LYS 10 -10.801 -0.583 -5.969 71 HD3 LYS 10 1HD LYS 10 -9.747 -1.911 -5.500 72 HE2 LYS 10 2HE LYS 10 -11.155 -2.193 -3.725 73 HE3 LYS 10 1HE LYS 10 -10.412 -0.726 -3.057 74 HZ1 LYS 10 3HZ LYS 10 -12.687 -0.721 -4.975 75 HZ2 LYS 10 1HZ LYS 10 -12.041 0.621 -4.170 76 HZ3 LYS 10 2HZ LYS 10 -12.866 -0.576 -3.294 77 H ARG 11 H ARG 11 -4.616 -0.152 -6.254 78 HA ARG 11 HA ARG 11 -3.884 -2.987 -6.593 79 HB2 ARG 11 2HB ARG 11 -2.820 -0.348 -7.646 80 HB3 ARG 11 1HB ARG 11 -2.070 -1.890 -8.040 81 HG2 ARG 11 2HG ARG 11 -4.622 -2.513 -8.627 82 HG3 ARG 11 1HG ARG 11 -4.684 -0.775 -8.921 83 HD2 ARG 11 2HD ARG 11 -3.836 -1.295 -10.984 84 HD3 ARG 11 1HD ARG 11 -2.295 -1.481 -10.133 85 HE ARG 11 HE ARG 11 -2.771 -3.895 -9.893 86 HH11 ARG 11 1HH2 ARG 11 -4.841 -2.116 -12.069 87 HH12 ARG 11 2HH2 ARG 11 -5.385 -3.523 -12.900 88 HH21 ARG 11 1HH1 ARG 11 -3.462 -5.721 -10.989 89 HH22 ARG 11 2HH1 ARG 11 -4.591 -5.585 -12.296 90 H GLY 12 H GLY 12 -2.988 -0.356 -4.581 91 HA2 GLY 12 2HA GLY 12 -0.362 -1.471 -3.869 92 HA3 GLY 12 1HA GLY 12 -1.099 -0.024 -3.178 93 H CYS 13 H CYS 13 -3.654 -1.404 -2.634 94 HA CYS 13 HA CYS 13 -3.163 -2.327 0.036 95 HB2 CYS 13 2HB CYS 13 -5.383 -2.098 -1.902 96 HB3 CYS 13 1HB CYS 13 -5.608 -3.357 -0.692 97 H GLY 14 H GLY 14 -2.286 -4.257 0.630 98 HA2 GLY 14 2HA GLY 14 -3.125 -6.801 -0.144 99 HA3 GLY 14 1HA GLY 14 -1.818 -6.389 -1.254 100 H ARG 15 H ARG 15 -1.421 -8.505 0.441 101 HA ARG 15 HA ARG 15 -0.399 -8.194 3.001 102 HB2 ARG 15 2HB ARG 15 1.239 -10.033 2.284 103 HB3 ARG 15 1HB ARG 15 -0.468 -10.359 2.028 104 HG2 ARG 15 2HG ARG 15 0.200 -9.160 -0.341 105 HG3 ARG 15 1HG ARG 15 1.698 -9.995 0.061 106 HD2 ARG 15 2HD ARG 15 -1.067 -11.240 -0.148 107 HD3 ARG 15 1HD ARG 15 0.311 -11.544 -1.211 108 HE ARG 15 HE ARG 15 0.152 -12.363 1.668 109 HH11 ARG 15 1HH2 ARG 15 1.673 -12.516 -1.467 110 HH12 ARG 15 2HH2 ARG 15 2.688 -13.839 -1.040 111 HH21 ARG 15 1HH1 ARG 15 1.492 -14.095 2.214 112 HH22 ARG 15 2HH1 ARG 15 2.593 -14.738 1.041 113 H TRP 16 H TRP 16 1.278 -7.396 -0.035 114 HA TRP 16 HA TRP 16 3.847 -6.721 0.997 115 HB2 TRP 16 2HB TRP 16 3.043 -6.860 -1.410 116 HB3 TRP 16 1HB TRP 16 2.277 -5.289 -1.167 117 HD1 TRP 16 HD TRP 16 5.699 -6.969 -1.324 118 HE1 TRP 16 1HE TRP 16 7.484 -5.180 -1.706 119 HE3 TRP 16 3HE TRP 16 2.833 -2.750 -0.906 120 HZ2 TRP 16 2HZ TRP 16 7.693 -2.334 -1.851 121 HZ3 TRP 16 3HZ TRP 16 3.853 -0.516 -1.185 122 HH2 TRP 16 HH TRP 16 6.281 -0.306 -1.654 123 H CYS 17 H CYS 17 1.177 -4.415 0.272 124 HA CYS 17 HA CYS 17 2.345 -2.229 1.678 125 HB2 CYS 17 2HB CYS 17 0.487 -2.015 0.099 126 HB3 CYS 17 1HB CYS 17 -0.552 -2.945 1.164 127 H ARG 18 H ARG 18 0.058 -4.744 2.785 128 HA ARG 18 HA ARG 18 -0.456 -3.826 5.396 129 HB2 ARG 18 2HB ARG 18 -0.919 -6.067 3.865 130 HB3 ARG 18 1HB ARG 18 0.134 -6.703 5.129 131 HG2 ARG 18 2HG ARG 18 -1.374 -5.580 6.818 132 HG3 ARG 18 1HG ARG 18 -2.490 -5.233 5.494 133 HD2 ARG 18 2HD ARG 18 -1.481 -8.033 6.066 134 HD3 ARG 18 1HD ARG 18 -2.968 -7.382 6.785 135 HE ARG 18 HE ARG 18 -2.656 -7.141 3.842 136 HH11 ARG 18 1HH2 ARG 18 -4.146 -8.714 6.571 137 HH12 ARG 18 2HH2 ARG 18 -5.451 -9.360 5.639 138 HH21 ARG 18 1HH1 ARG 18 -4.369 -7.977 2.639 139 HH22 ARG 18 2HH1 ARG 18 -5.572 -8.951 3.412 140 H ASP 19 H ASP 19 2.401 -5.589 4.186 141 HA ASP 19 HA ASP 19 3.637 -5.528 6.890 142 HB2 ASP 19 2HB ASP 19 3.565 -7.471 5.145 143 HB3 ASP 19 1HB ASP 19 4.860 -6.576 4.344 144 H HIS 20 H HIS 20 3.895 -3.898 3.786 145 HA HIS 20 HA HIS 20 6.489 -2.649 4.605 146 HB2 HIS 20 2HB HIS 20 5.033 -2.785 1.946 147 HB3 HIS 20 1HB HIS 20 6.636 -2.107 2.193 148 HD1 HIS 20 1HD HIS 20 4.821 -5.423 2.642 149 HD2 HIS 20 2HD HIS 20 8.647 -3.977 1.926 150 HE1 HIS 20 1HE HIS 20 6.283 -7.446 2.209 151 H SER 21 H SER 21 3.098 -1.801 4.257 152 HA SER 21 HA SER 21 3.856 1.055 4.679 153 HB2 SER 21 2HB SER 21 2.957 -0.201 2.228 154 HB3 SER 21 1HB SER 21 1.820 1.041 2.731 155 HG SER 21 HG SER 21 3.660 2.449 2.942 156 H ARG 22 H ARG 22 2.586 1.822 6.318 157 HA ARG 22 HA ARG 22 0.004 0.548 7.001 158 HB2 ARG 22 2HB ARG 22 1.602 2.892 8.100 159 HB3 ARG 22 1HB ARG 22 0.074 2.350 8.791 160 HG2 ARG 22 2HG ARG 22 1.089 0.056 9.052 161 HG3 ARG 22 1HG ARG 22 2.640 0.752 8.576 162 HD2 ARG 22 2HD ARG 22 2.280 2.462 10.460 163 HD3 ARG 22 1HD ARG 22 0.992 1.381 11.035 164 HE ARG 22 HE ARG 22 3.066 -0.370 10.618 165 HH11 ARG 22 1HH2 ARG 22 2.777 2.651 12.314 166 HH12 ARG 22 2HH2 ARG 22 4.016 2.272 13.458 167 HH21 ARG 22 1HH1 ARG 22 4.688 -0.874 12.123 168 HH22 ARG 22 2HH1 ARG 22 5.108 0.275 13.349 169 H CYS 23 H CYS 23 -0.333 1.350 4.500 170 HA CYS 23 HA CYS 23 -1.941 3.876 4.633 171 HB2 CYS 23 2HB CYS 23 0.227 4.443 3.732 172 HB3 CYS 23 1HB CYS 23 0.248 3.016 2.712 173 H CYS 24 H CYS 24 -3.046 1.299 4.816 174 HA CYS 24 HA CYS 24 -4.844 1.239 2.523 175 HB2 CYS 24 2HB CYS 24 -2.352 -0.153 2.410 176 HB3 CYS 24 1HB CYS 24 -3.624 -1.361 2.546 177 HN1 NH2 25 2H CYS 24 -6.696 -1.256 4.400 178 HN2 NH2 25 1H CYS 24 -6.426 -0.692 2.821 Start of MODEL 12 1 H1 VAL 1 1HT VAL 1 10.806 2.362 1.505 2 H2 VAL 1 2HT VAL 1 11.281 0.861 2.127 3 H3 VAL 1 3HT VAL 1 9.923 1.646 2.763 4 HA VAL 1 HA VAL 1 9.665 1.277 -0.050 5 HB VAL 1 HB VAL 1 11.204 -0.627 0.554 6 HG11 VAL 1 2HG1 VAL 1 10.052 -0.768 2.927 7 HG12 VAL 1 3HG1 VAL 1 10.651 -2.236 2.165 8 HG13 VAL 1 1HG1 VAL 1 8.929 -1.843 2.110 9 HG21 VAL 1 1HG2 VAL 1 10.015 -2.236 -0.685 10 HG22 VAL 1 2HG2 VAL 1 9.260 -0.729 -1.185 11 HG23 VAL 1 3HG2 VAL 1 8.460 -1.757 0.002 12 H GLY 2 H GLY 2 7.446 0.858 -0.474 13 HA2 GLY 2 2HA GLY 2 5.335 -0.136 0.620 14 HA3 GLY 2 1HA GLY 2 5.673 0.981 1.921 15 H GLU 3 H GLU 3 6.668 3.012 -0.110 16 HA GLU 3 HA GLU 3 4.443 4.665 -0.373 17 HB2 GLU 3 2HB GLU 3 5.814 5.661 -2.298 18 HB3 GLU 3 1HB GLU 3 6.657 5.488 -0.761 19 HG2 GLU 3 2HG GLU 3 7.711 3.417 -1.529 20 HG3 GLU 3 1HG GLU 3 6.813 3.488 -3.043 21 H ARG 4 H ARG 4 5.471 2.080 -2.553 22 HA ARG 4 HA ARG 4 3.853 2.586 -4.798 23 HB2 ARG 4 2HB ARG 4 4.721 0.588 -5.428 24 HB3 ARG 4 1HB ARG 4 5.577 0.616 -3.892 25 HG2 ARG 4 2HG ARG 4 4.529 -1.414 -3.684 26 HG3 ARG 4 1HG ARG 4 3.266 -0.394 -3.010 27 HD2 ARG 4 2HD ARG 4 1.844 -0.980 -4.676 28 HD3 ARG 4 1HD ARG 4 3.026 -0.502 -5.910 29 HE ARG 4 HE ARG 4 4.096 -2.850 -5.018 30 HH11 ARG 4 1HH2 ARG 4 0.881 -1.931 -6.010 31 HH12 ARG 4 2HH2 ARG 4 0.463 -3.512 -6.563 32 HH21 ARG 4 1HH1 ARG 4 3.537 -4.913 -5.728 33 HH22 ARG 4 2HH1 ARG 4 1.972 -5.206 -6.405 34 H CYS 5 H CYS 5 2.880 1.531 -1.593 35 HA CYS 5 HA CYS 5 0.391 0.287 -2.241 36 HB2 CYS 5 2HB CYS 5 1.562 0.248 -0.033 37 HB3 CYS 5 1HB CYS 5 1.131 1.944 0.193 38 H CYS 6 H CYS 6 0.920 3.696 -1.102 39 HA CYS 6 HA CYS 6 -1.761 4.525 -1.742 40 HB2 CYS 6 2HB CYS 6 0.630 6.369 -1.808 41 HB3 CYS 6 1HB CYS 6 -1.001 6.701 -1.247 42 H LYS 7 H LYS 7 1.298 4.585 -3.557 43 HA LYS 7 HA LYS 7 0.583 6.020 -5.859 44 HB2 LYS 7 2HB LYS 7 2.423 3.829 -5.089 45 HB3 LYS 7 1HB LYS 7 2.107 3.964 -6.819 46 HG2 LYS 7 2HG LYS 7 2.709 6.483 -5.337 47 HG3 LYS 7 1HG LYS 7 4.048 5.374 -5.613 48 HD2 LYS 7 2HD LYS 7 2.202 6.479 -7.750 49 HD3 LYS 7 1HD LYS 7 3.850 7.020 -7.450 50 HE2 LYS 7 2HE LYS 7 2.980 4.272 -8.417 51 HE3 LYS 7 1HE LYS 7 3.936 5.470 -9.306 52 HZ1 LYS 7 3HZ LYS 7 5.442 5.332 -7.200 53 HZ2 LYS 7 1HZ LYS 7 5.579 4.154 -8.415 54 HZ3 LYS 7 2HZ LYS 7 4.714 3.814 -7.001 55 H ASN 8 H ASN 8 -0.251 2.707 -4.960 56 HA ASN 8 HA ASN 8 -1.660 2.299 -7.555 57 HB2 ASN 8 2HB ASN 8 -0.323 0.676 -5.493 58 HB3 ASN 8 1HB ASN 8 -1.772 -0.050 -6.161 59 HD21 ASN 8 1HD2 ASN 8 1.509 0.577 -6.727 60 HD22 ASN 8 2HD2 ASN 8 1.555 0.067 -8.337 61 H GLY 9 H GLY 9 -2.389 3.091 -4.282 62 HA2 GLY 9 2HA GLY 9 -4.427 3.235 -3.120 63 HA3 GLY 9 1HA GLY 9 -5.174 3.335 -4.715 64 H LYS 10 H LYS 10 -6.565 1.702 -5.184 65 HA LYS 10 HA LYS 10 -7.086 -0.520 -3.490 66 HB2 LYS 10 2HB LYS 10 -7.557 -0.002 -6.442 67 HB3 LYS 10 1HB LYS 10 -8.244 -1.389 -5.598 68 HG2 LYS 10 2HG LYS 10 -8.897 0.716 -3.927 69 HG3 LYS 10 1HG LYS 10 -9.050 1.432 -5.532 70 HD2 LYS 10 2HD LYS 10 -10.294 -0.886 -6.033 71 HD3 LYS 10 1HD LYS 10 -10.613 -0.798 -4.300 72 HE2 LYS 10 2HE LYS 10 -11.204 1.484 -6.228 73 HE3 LYS 10 1HE LYS 10 -12.416 0.302 -5.698 74 HZ1 LYS 10 3HZ LYS 10 -11.912 0.877 -3.402 75 HZ2 LYS 10 1HZ LYS 10 -12.428 2.239 -4.259 76 HZ3 LYS 10 2HZ LYS 10 -10.781 2.031 -3.918 77 H ARG 11 H ARG 11 -4.781 -0.116 -6.129 78 HA ARG 11 HA ARG 11 -4.106 -2.963 -6.287 79 HB2 ARG 11 2HB ARG 11 -2.882 -0.414 -7.376 80 HB3 ARG 11 1HB ARG 11 -2.260 -2.014 -7.752 81 HG2 ARG 11 2HG ARG 11 -4.653 -2.587 -8.490 82 HG3 ARG 11 1HG ARG 11 -4.960 -0.852 -8.436 83 HD2 ARG 11 2HD ARG 11 -4.296 -1.418 -10.713 84 HD3 ARG 11 1HD ARG 11 -2.961 -0.532 -9.951 85 HE ARG 11 HE ARG 11 -2.795 -3.430 -9.577 86 HH11 ARG 11 1HH2 ARG 11 -2.042 -0.719 -11.653 87 HH12 ARG 11 2HH2 ARG 11 -0.695 -1.511 -12.394 88 HH21 ARG 11 1HH1 ARG 11 -1.011 -4.422 -10.521 89 HH22 ARG 11 2HH1 ARG 11 -0.111 -3.597 -11.748 90 H GLY 12 H GLY 12 -3.313 -0.421 -4.180 91 HA2 GLY 12 2HA GLY 12 -0.631 -1.391 -3.485 92 HA3 GLY 12 1HA GLY 12 -1.497 -0.068 -2.697 93 H CYS 13 H CYS 13 -3.895 -1.341 -2.041 94 HA CYS 13 HA CYS 13 -3.386 -2.584 0.426 95 HB2 CYS 13 2HB CYS 13 -5.637 -2.399 -1.526 96 HB3 CYS 13 1HB CYS 13 -5.799 -3.591 -0.236 97 H GLY 14 H GLY 14 -2.366 -4.487 0.807 98 HA2 GLY 14 2HA GLY 14 -3.122 -7.010 -0.082 99 HA3 GLY 14 1HA GLY 14 -1.896 -6.469 -1.235 100 H ARG 15 H ARG 15 -1.263 -8.636 0.326 101 HA ARG 15 HA ARG 15 -0.144 -8.363 2.848 102 HB2 ARG 15 2HB ARG 15 1.543 -10.081 2.001 103 HB3 ARG 15 1HB ARG 15 -0.147 -10.485 1.731 104 HG2 ARG 15 2HG ARG 15 0.358 -10.756 -0.458 105 HG3 ARG 15 1HG ARG 15 0.624 -9.020 -0.550 106 HD2 ARG 15 2HD ARG 15 2.597 -10.423 -1.336 107 HD3 ARG 15 1HD ARG 15 2.988 -9.295 -0.022 108 HE ARG 15 HE ARG 15 2.178 -12.097 0.645 109 HH11 ARG 15 1HH2 ARG 15 4.572 -9.553 0.627 110 HH12 ARG 15 2HH2 ARG 15 5.565 -10.316 1.817 111 HH21 ARG 15 1HH1 ARG 15 3.465 -13.069 2.203 112 HH22 ARG 15 2HH1 ARG 15 4.930 -12.313 2.724 113 H TRP 16 H TRP 16 1.412 -7.396 -0.237 114 HA TRP 16 HA TRP 16 3.953 -6.594 0.766 115 HB2 TRP 16 2HB TRP 16 3.090 -6.744 -1.634 116 HB3 TRP 16 1HB TRP 16 2.302 -5.186 -1.358 117 HD1 TRP 16 HD TRP 16 5.706 -6.807 -1.776 118 HE1 TRP 16 1HE TRP 16 7.474 -4.988 -2.080 119 HE3 TRP 16 3HE TRP 16 2.894 -2.663 -0.759 120 HZ2 TRP 16 2HZ TRP 16 7.679 -2.120 -1.932 121 HZ3 TRP 16 3HZ TRP 16 3.900 -0.418 -0.855 122 HH2 TRP 16 HH TRP 16 6.282 -0.144 -1.448 123 H CYS 17 H CYS 17 1.135 -4.452 0.122 124 HA CYS 17 HA CYS 17 2.188 -2.207 1.566 125 HB2 CYS 17 2HB CYS 17 0.391 -2.074 -0.097 126 HB3 CYS 17 1HB CYS 17 -0.651 -3.057 0.915 127 H ARG 18 H ARG 18 -0.028 -4.829 2.537 128 HA ARG 18 HA ARG 18 -0.639 -3.979 5.167 129 HB2 ARG 18 2HB ARG 18 -0.569 -6.451 3.574 130 HB3 ARG 18 1HB ARG 18 -0.339 -6.733 5.300 131 HG2 ARG 18 2HG ARG 18 -2.379 -5.303 5.723 132 HG3 ARG 18 1HG ARG 18 -2.653 -5.290 3.978 133 HD2 ARG 18 2HD ARG 18 -3.919 -7.099 5.285 134 HD3 ARG 18 1HD ARG 18 -2.940 -7.684 3.929 135 HE ARG 18 HE ARG 18 -1.747 -7.577 6.668 136 HH11 ARG 18 1HH2 ARG 18 -2.806 -9.410 3.892 137 HH12 ARG 18 2HH2 ARG 18 -1.940 -10.833 4.351 138 HH21 ARG 18 1HH1 ARG 18 -0.639 -9.438 7.268 139 HH22 ARG 18 2HH1 ARG 18 -0.708 -10.850 6.273 140 H ASP 19 H ASP 19 2.240 -5.695 3.958 141 HA ASP 19 HA ASP 19 3.420 -5.824 6.687 142 HB2 ASP 19 2HB ASP 19 3.426 -7.411 4.390 143 HB3 ASP 19 1HB ASP 19 5.044 -6.716 4.427 144 H HIS 20 H HIS 20 3.926 -4.122 3.613 145 HA HIS 20 HA HIS 20 6.397 -2.824 4.711 146 HB2 HIS 20 2HB HIS 20 5.206 -2.912 1.917 147 HB3 HIS 20 1HB HIS 20 6.784 -2.264 2.334 148 HD1 HIS 20 1HD HIS 20 4.888 -5.570 2.496 149 HD2 HIS 20 2HD HIS 20 8.793 -4.162 2.229 150 HE1 HIS 20 1HE HIS 20 6.359 -7.597 2.111 151 H SER 21 H SER 21 3.050 -2.127 4.150 152 HA SER 21 HA SER 21 3.658 0.812 4.186 153 HB2 SER 21 2HB SER 21 1.601 -0.801 2.680 154 HB3 SER 21 1HB SER 21 1.644 0.951 2.693 155 HG SER 21 HG SER 21 3.296 0.915 1.381 156 H ARG 22 H ARG 22 1.953 2.147 4.989 157 HA ARG 22 HA ARG 22 0.124 0.865 6.988 158 HB2 ARG 22 2HB ARG 22 2.122 2.596 7.483 159 HB3 ARG 22 1HB ARG 22 0.886 3.768 7.028 160 HG2 ARG 22 2HG ARG 22 -0.392 1.928 8.759 161 HG3 ARG 22 1HG ARG 22 1.164 2.304 9.510 162 HD2 ARG 22 2HD ARG 22 -0.861 4.362 8.535 163 HD3 ARG 22 1HD ARG 22 -0.539 3.938 10.231 164 HE ARG 22 HE ARG 22 1.982 4.512 9.285 165 HH11 ARG 22 1HH2 ARG 22 -1.069 6.167 9.194 166 HH12 ARG 22 2HH2 ARG 22 -0.362 7.741 9.158 167 HH21 ARG 22 1HH1 ARG 22 2.916 6.566 9.271 168 HH22 ARG 22 2HH1 ARG 22 1.909 7.973 9.210 169 H CYS 23 H CYS 23 0.409 2.690 4.090 170 HA CYS 23 HA CYS 23 -1.761 4.420 3.956 171 HB2 CYS 23 2HB CYS 23 0.180 3.525 2.315 172 HB3 CYS 23 1HB CYS 23 -1.168 2.612 1.652 173 H CYS 24 H CYS 24 -1.802 0.884 3.241 174 HA CYS 24 HA CYS 24 -4.712 0.902 2.807 175 HB2 CYS 24 2HB CYS 24 -3.124 -0.573 1.563 176 HB3 CYS 24 1HB CYS 24 -2.708 -1.372 3.071 177 HN1 NH2 25 2H CYS 24 -5.822 -0.123 6.007 178 HN2 NH2 25 1H CYS 24 -6.240 0.377 4.443 Start of MODEL 13 1 H1 VAL 1 1HT VAL 1 10.216 1.731 2.126 2 H2 VAL 1 2HT VAL 1 9.953 2.327 0.560 3 H3 VAL 1 3HT VAL 1 11.405 1.538 0.941 4 HA VAL 1 HA VAL 1 9.853 0.141 -0.342 5 HB VAL 1 HB VAL 1 11.625 -0.809 1.020 6 HG11 VAL 1 2HG1 VAL 1 9.733 -0.320 3.328 7 HG12 VAL 1 3HG1 VAL 1 11.393 0.231 3.135 8 HG13 VAL 1 1HG1 VAL 1 11.061 -1.472 3.433 9 HG21 VAL 1 1HG2 VAL 1 9.850 -2.319 0.089 10 HG22 VAL 1 2HG2 VAL 1 9.044 -2.265 1.659 11 HG23 VAL 1 3HG2 VAL 1 10.654 -2.974 1.516 12 H GLY 2 H GLY 2 7.686 0.489 -0.711 13 HA2 GLY 2 2HA GLY 2 5.541 -0.630 0.350 14 HA3 GLY 2 1HA GLY 2 5.815 0.578 1.600 15 H GLU 3 H GLU 3 6.869 2.463 -0.483 16 HA GLU 3 HA GLU 3 4.917 4.262 -0.915 17 HB2 GLU 3 2HB GLU 3 6.146 4.586 -3.220 18 HB3 GLU 3 1HB GLU 3 7.010 4.826 -1.704 19 HG2 GLU 3 2HG GLU 3 7.107 2.033 -2.399 20 HG3 GLU 3 1HG GLU 3 7.631 2.987 -3.770 21 H ARG 4 H ARG 4 5.388 1.525 -3.134 22 HA ARG 4 HA ARG 4 3.476 2.136 -5.070 23 HB2 ARG 4 2HB ARG 4 3.997 0.055 -5.811 24 HB3 ARG 4 1HB ARG 4 5.152 0.051 -4.488 25 HG2 ARG 4 2HG ARG 4 4.047 -1.901 -3.992 26 HG3 ARG 4 1HG ARG 4 2.991 -0.788 -3.127 27 HD2 ARG 4 2HD ARG 4 1.516 -2.114 -4.455 28 HD3 ARG 4 1HD ARG 4 1.696 -0.604 -5.368 29 HE ARG 4 HE ARG 4 3.792 -2.136 -6.286 30 HH11 ARG 4 1HH2 ARG 4 0.350 -2.636 -5.995 31 HH12 ARG 4 2HH2 ARG 4 0.283 -3.741 -7.318 32 HH21 ARG 4 1HH1 ARG 4 3.682 -3.586 -8.006 33 HH22 ARG 4 2HH1 ARG 4 2.161 -4.281 -8.452 34 H CYS 5 H CYS 5 2.830 1.078 -1.758 35 HA CYS 5 HA CYS 5 0.175 0.089 -2.169 36 HB2 CYS 5 2HB CYS 5 1.495 -0.243 -0.120 37 HB3 CYS 5 1HB CYS 5 1.400 1.483 0.226 38 H CYS 6 H CYS 6 0.962 3.309 -0.709 39 HA CYS 6 HA CYS 6 -1.677 4.348 -1.164 40 HB2 CYS 6 2HB CYS 6 0.831 6.041 -1.070 41 HB3 CYS 6 1HB CYS 6 -0.775 6.418 -0.450 42 H LYS 7 H LYS 7 1.299 4.475 -3.112 43 HA LYS 7 HA LYS 7 0.495 6.307 -5.102 44 HB2 LYS 7 2HB LYS 7 2.375 4.001 -4.873 45 HB3 LYS 7 1HB LYS 7 2.073 4.641 -6.486 46 HG2 LYS 7 2HG LYS 7 2.987 6.272 -4.093 47 HG3 LYS 7 1HG LYS 7 4.016 5.749 -5.424 48 HD2 LYS 7 2HD LYS 7 1.667 7.659 -5.571 49 HD3 LYS 7 1HD LYS 7 3.363 8.038 -5.841 50 HE2 LYS 7 2HE LYS 7 2.983 7.650 -8.046 51 HE3 LYS 7 1HE LYS 7 2.825 5.933 -7.634 52 HZ1 LYS 7 3HZ LYS 7 0.834 7.323 -8.687 53 HZ2 LYS 7 1HZ LYS 7 0.527 7.646 -7.057 54 HZ3 LYS 7 2HZ LYS 7 0.574 6.039 -7.610 55 H ASN 8 H ASN 8 -0.444 2.961 -4.664 56 HA ASN 8 HA ASN 8 -1.894 3.050 -7.286 57 HB2 ASN 8 2HB ASN 8 -0.373 1.036 -5.750 58 HB3 ASN 8 1HB ASN 8 -1.829 0.435 -6.516 59 HD21 ASN 8 1HD2 ASN 8 1.417 0.966 -7.079 60 HD22 ASN 8 2HD2 ASN 8 1.370 1.030 -8.769 61 H GLY 9 H GLY 9 -2.431 3.147 -3.904 62 HA2 GLY 9 2HA GLY 9 -4.359 2.845 -2.592 63 HA3 GLY 9 1HA GLY 9 -5.223 3.356 -4.039 64 H LYS 10 H LYS 10 -6.499 1.860 -5.032 65 HA LYS 10 HA LYS 10 -7.104 -0.678 -3.908 66 HB2 LYS 10 2HB LYS 10 -7.411 0.365 -6.748 67 HB3 LYS 10 1HB LYS 10 -8.265 -1.034 -6.090 68 HG2 LYS 10 2HG LYS 10 -8.480 1.377 -4.408 69 HG3 LYS 10 1HG LYS 10 -9.199 1.563 -6.010 70 HD2 LYS 10 2HD LYS 10 -10.391 -0.639 -5.617 71 HD3 LYS 10 1HD LYS 10 -9.838 -0.561 -3.943 72 HE2 LYS 10 2HE LYS 10 -11.506 1.588 -5.319 73 HE3 LYS 10 1HE LYS 10 -12.141 0.370 -4.196 74 HZ1 LYS 10 3HZ LYS 10 -10.139 2.491 -3.632 75 HZ2 LYS 10 1HZ LYS 10 -10.369 1.165 -2.600 76 HZ3 LYS 10 2HZ LYS 10 -11.638 2.249 -2.876 77 H ARG 11 H ARG 11 -4.687 0.259 -6.292 78 HA ARG 11 HA ARG 11 -3.970 -2.550 -6.912 79 HB2 ARG 11 2HB ARG 11 -2.981 0.188 -7.747 80 HB3 ARG 11 1HB ARG 11 -2.206 -1.294 -8.289 81 HG2 ARG 11 2HG ARG 11 -4.445 -2.049 -9.170 82 HG3 ARG 11 1HG ARG 11 -5.072 -0.451 -8.768 83 HD2 ARG 11 2HD ARG 11 -4.182 0.442 -10.653 84 HD3 ARG 11 1HD ARG 11 -2.582 -0.222 -10.272 85 HE ARG 11 HE ARG 11 -4.504 -2.227 -11.210 86 HH11 ARG 11 1HH2 ARG 11 -2.081 0.132 -12.055 87 HH12 ARG 11 2HH2 ARG 11 -1.714 -0.609 -13.575 88 HH21 ARG 11 1HH1 ARG 11 -4.027 -3.186 -13.185 89 HH22 ARG 11 2HH1 ARG 11 -2.821 -2.499 -14.216 90 H GLY 12 H GLY 12 -3.280 -0.340 -4.477 91 HA2 GLY 12 2HA GLY 12 -0.513 -1.319 -4.046 92 HA3 GLY 12 1HA GLY 12 -1.259 0.056 -3.228 93 H CYS 13 H CYS 13 -3.762 -1.380 -2.633 94 HA CYS 13 HA CYS 13 -3.175 -2.399 -0.060 95 HB2 CYS 13 2HB CYS 13 -5.400 -1.779 -1.491 96 HB3 CYS 13 1HB CYS 13 -5.490 -3.539 -1.535 97 H GLY 14 H GLY 14 -2.518 -4.388 0.670 98 HA2 GLY 14 2HA GLY 14 -2.969 -6.925 -0.303 99 HA3 GLY 14 1HA GLY 14 -1.598 -6.372 -1.263 100 H ARG 15 H ARG 15 -1.094 -8.497 0.341 101 HA ARG 15 HA ARG 15 -0.378 -8.179 3.035 102 HB2 ARG 15 2HB ARG 15 -0.350 -10.248 1.599 103 HB3 ARG 15 1HB ARG 15 1.148 -9.668 0.869 104 HG2 ARG 15 2HG ARG 15 2.365 -10.384 2.610 105 HG3 ARG 15 1HG ARG 15 1.312 -9.564 3.759 106 HD2 ARG 15 2HD ARG 15 -0.141 -11.820 2.752 107 HD3 ARG 15 1HD ARG 15 1.469 -12.384 3.218 108 HE ARG 15 HE ARG 15 1.062 -11.665 5.470 109 HH11 ARG 15 1HH2 ARG 15 -1.522 -10.789 3.288 110 HH12 ARG 15 2HH2 ARG 15 -2.634 -10.410 4.557 111 HH21 ARG 15 1HH1 ARG 15 -0.397 -11.168 7.122 112 HH22 ARG 15 2HH1 ARG 15 -1.998 -10.631 6.737 113 H TRP 16 H TRP 16 1.781 -7.666 0.213 114 HA TRP 16 HA TRP 16 4.099 -6.752 1.518 115 HB2 TRP 16 2HB TRP 16 3.624 -7.193 -0.939 116 HB3 TRP 16 1HB TRP 16 2.876 -5.597 -1.000 117 HD1 TRP 16 HD TRP 16 6.230 -7.298 -0.320 118 HE1 TRP 16 1HE TRP 16 8.116 -5.629 -0.757 119 HE3 TRP 16 3HE TRP 16 3.473 -3.094 -1.223 120 HZ2 TRP 16 2HZ TRP 16 8.434 -2.843 -1.411 121 HZ3 TRP 16 3HZ TRP 16 4.600 -0.951 -1.752 122 HH2 TRP 16 HH TRP 16 7.065 -0.822 -1.855 123 H CYS 17 H CYS 17 1.593 -4.600 0.094 124 HA CYS 17 HA CYS 17 2.485 -2.193 1.285 125 HB2 CYS 17 2HB CYS 17 0.875 -1.845 -0.329 126 HB3 CYS 17 1HB CYS 17 -0.028 -3.278 0.116 127 H ARG 18 H ARG 18 -0.017 -4.478 2.440 128 HA ARG 18 HA ARG 18 -0.864 -3.178 4.759 129 HB2 ARG 18 2HB ARG 18 -0.825 -5.853 3.704 130 HB3 ARG 18 1HB ARG 18 -0.503 -5.919 5.435 131 HG2 ARG 18 2HG ARG 18 -2.493 -4.570 5.894 132 HG3 ARG 18 1HG ARG 18 -2.800 -4.402 4.164 133 HD2 ARG 18 2HD ARG 18 -2.538 -7.172 5.296 134 HD3 ARG 18 1HD ARG 18 -4.056 -6.290 5.547 135 HE ARG 18 HE ARG 18 -3.011 -7.228 2.975 136 HH11 ARG 18 1HH2 ARG 18 -5.036 -4.899 4.602 137 HH12 ARG 18 2HH2 ARG 18 -6.129 -4.733 3.270 138 HH21 ARG 18 1HH1 ARG 18 -4.410 -6.980 1.230 139 HH22 ARG 18 2HH1 ARG 18 -5.765 -5.908 1.347 140 H ASP 19 H ASP 19 2.153 -5.090 4.437 141 HA ASP 19 HA ASP 19 2.900 -4.390 7.239 142 HB2 ASP 19 2HB ASP 19 3.154 -6.660 5.787 143 HB3 ASP 19 1HB ASP 19 4.709 -5.907 5.421 144 H HIS 20 H HIS 20 4.070 -3.952 3.908 145 HA HIS 20 HA HIS 20 6.367 -2.319 4.741 146 HB2 HIS 20 2HB HIS 20 5.126 -2.972 2.042 147 HB3 HIS 20 1HB HIS 20 6.701 -2.219 2.265 148 HD1 HIS 20 1HD HIS 20 4.872 -5.472 2.956 149 HD2 HIS 20 2HD HIS 20 8.768 -4.014 2.855 150 HE1 HIS 20 1HE HIS 20 6.395 -7.482 3.173 151 H SER 21 H SER 21 3.051 -1.665 4.235 152 HA SER 21 HA SER 21 3.629 1.253 4.061 153 HB2 SER 21 2HB SER 21 3.038 -0.300 1.852 154 HB3 SER 21 1HB SER 21 1.451 0.273 2.332 155 HG SER 21 HG SER 21 3.746 1.923 1.948 156 H ARG 22 H ARG 22 2.597 1.776 6.031 157 HA ARG 22 HA ARG 22 0.114 0.517 6.908 158 HB2 ARG 22 2HB ARG 22 1.786 2.918 7.689 159 HB3 ARG 22 1HB ARG 22 0.225 2.623 8.458 160 HG2 ARG 22 2HG ARG 22 1.077 0.981 9.743 161 HG3 ARG 22 1HG ARG 22 1.776 0.173 8.341 162 HD2 ARG 22 2HD ARG 22 3.081 2.621 9.573 163 HD3 ARG 22 1HD ARG 22 3.449 0.981 10.135 164 HE ARG 22 HE ARG 22 4.248 2.130 7.562 165 HH11 ARG 22 1HH2 ARG 22 3.457 -0.798 9.284 166 HH12 ARG 22 2HH2 ARG 22 4.427 -1.804 8.262 167 HH21 ARG 22 1HH1 ARG 22 5.526 0.789 6.238 168 HH22 ARG 22 2HH1 ARG 22 5.600 -0.913 6.564 169 H CYS 23 H CYS 23 -0.580 0.979 4.476 170 HA CYS 23 HA CYS 23 -2.100 3.575 4.361 171 HB2 CYS 23 2HB CYS 23 0.089 2.921 2.937 172 HB3 CYS 23 1HB CYS 23 -1.119 2.130 1.939 173 H CYS 24 H CYS 24 -2.551 0.322 4.751 174 HA CYS 24 HA CYS 24 -5.262 0.363 3.641 175 HB2 CYS 24 2HB CYS 24 -3.207 -0.282 1.930 176 HB3 CYS 24 1HB CYS 24 -3.703 -1.871 2.509 177 HN1 NH2 25 2H CYS 24 -4.815 -1.696 6.725 178 HN2 NH2 25 1H CYS 24 -4.663 -0.060 6.304 Start of MODEL 14 1 H1 VAL 1 1HT VAL 1 9.322 1.491 3.250 2 H2 VAL 1 2HT VAL 1 10.772 1.688 2.402 3 H3 VAL 1 3HT VAL 1 10.244 0.138 2.838 4 HA VAL 1 HA VAL 1 9.499 1.793 0.576 5 HB VAL 1 HB VAL 1 9.129 -0.444 -0.381 6 HG11 VAL 1 2HG1 VAL 1 11.573 -0.355 1.416 7 HG12 VAL 1 3HG1 VAL 1 11.456 0.305 -0.215 8 HG13 VAL 1 1HG1 VAL 1 11.363 -1.440 0.043 9 HG21 VAL 1 1HG2 VAL 1 9.875 -1.873 2.129 10 HG22 VAL 1 2HG2 VAL 1 8.758 -2.351 0.844 11 HG23 VAL 1 3HG2 VAL 1 8.237 -1.201 2.080 12 H GLY 2 H GLY 2 7.252 0.514 -0.361 13 HA2 GLY 2 2HA GLY 2 4.979 -0.127 0.379 14 HA3 GLY 2 1HA GLY 2 5.177 0.945 1.747 15 H GLU 3 H GLU 3 6.532 2.796 -0.500 16 HA GLU 3 HA GLU 3 4.466 4.666 -0.792 17 HB2 GLU 3 2HB GLU 3 5.803 5.380 -2.838 18 HB3 GLU 3 1HB GLU 3 6.722 5.223 -1.346 19 HG2 GLU 3 2HG GLU 3 7.486 2.993 -2.031 20 HG3 GLU 3 1HG GLU 3 6.539 3.109 -3.513 21 H ARG 4 H ARG 4 5.235 1.948 -2.941 22 HA ARG 4 HA ARG 4 3.441 2.412 -5.056 23 HB2 ARG 4 2HB ARG 4 4.250 0.384 -5.657 24 HB3 ARG 4 1HB ARG 4 5.161 0.407 -4.158 25 HG2 ARG 4 2HG ARG 4 4.059 -1.574 -3.854 26 HG3 ARG 4 1HG ARG 4 2.825 -0.507 -3.193 27 HD2 ARG 4 2HD ARG 4 1.476 -1.568 -4.720 28 HD3 ARG 4 1HD ARG 4 2.198 -0.409 -5.853 29 HE ARG 4 HE ARG 4 4.066 -2.357 -5.929 30 HH11 ARG 4 1HH2 ARG 4 0.572 -2.544 -6.024 31 HH12 ARG 4 2HH2 ARG 4 0.559 -4.028 -6.903 32 HH21 ARG 4 1HH1 ARG 4 4.014 -4.290 -7.114 33 HH22 ARG 4 2HH1 ARG 4 2.492 -5.006 -7.531 34 H CYS 5 H CYS 5 2.799 1.436 -1.776 35 HA CYS 5 HA CYS 5 0.170 0.348 -2.087 36 HB2 CYS 5 2HB CYS 5 1.932 0.445 -0.128 37 HB3 CYS 5 1HB CYS 5 1.077 1.922 0.303 38 H CYS 6 H CYS 6 1.145 3.622 -0.945 39 HA CYS 6 HA CYS 6 -1.551 4.685 -1.208 40 HB2 CYS 6 2HB CYS 6 0.913 5.410 -0.033 41 HB3 CYS 6 1HB CYS 6 0.574 6.672 -1.218 42 H LYS 7 H LYS 7 1.154 4.306 -3.401 43 HA LYS 7 HA LYS 7 0.361 6.366 -5.295 44 HB2 LYS 7 2HB LYS 7 2.277 4.101 -5.116 45 HB3 LYS 7 1HB LYS 7 1.855 4.652 -6.737 46 HG2 LYS 7 2HG LYS 7 2.953 6.631 -6.490 47 HG3 LYS 7 1HG LYS 7 2.429 6.817 -4.815 48 HD2 LYS 7 2HD LYS 7 4.707 6.448 -4.528 49 HD3 LYS 7 1HD LYS 7 4.063 4.816 -4.376 50 HE2 LYS 7 2HE LYS 7 5.296 4.143 -6.139 51 HE3 LYS 7 1HE LYS 7 4.514 5.360 -7.166 52 HZ1 LYS 7 3HZ LYS 7 6.971 5.619 -5.526 53 HZ2 LYS 7 1HZ LYS 7 6.061 6.996 -5.922 54 HZ3 LYS 7 2HZ LYS 7 6.719 6.045 -7.152 55 H ASN 8 H ASN 8 -0.295 2.928 -4.902 56 HA ASN 8 HA ASN 8 -1.957 2.912 -7.385 57 HB2 ASN 8 2HB ASN 8 -0.357 1.005 -5.789 58 HB3 ASN 8 1HB ASN 8 -1.836 0.351 -6.457 59 HD21 ASN 8 1HD2 ASN 8 1.372 1.186 -7.205 60 HD22 ASN 8 2HD2 ASN 8 1.254 0.998 -8.883 61 H GLY 9 H GLY 9 -2.251 2.836 -3.920 62 HA2 GLY 9 2HA GLY 9 -4.132 2.665 -2.532 63 HA3 GLY 9 1HA GLY 9 -5.080 3.118 -3.950 64 H LYS 10 H LYS 10 -6.462 1.599 -4.701 65 HA LYS 10 HA LYS 10 -6.795 -0.969 -3.507 66 HB2 LYS 10 2HB LYS 10 -7.606 0.022 -6.267 67 HB3 LYS 10 1HB LYS 10 -8.337 -1.326 -5.397 68 HG2 LYS 10 2HG LYS 10 -8.264 1.197 -3.859 69 HG3 LYS 10 1HG LYS 10 -9.257 1.262 -5.315 70 HD2 LYS 10 2HD LYS 10 -10.583 -0.612 -4.596 71 HD3 LYS 10 1HD LYS 10 -9.472 -0.961 -3.271 72 HE2 LYS 10 2HE LYS 10 -11.444 0.214 -2.380 73 HE3 LYS 10 1HE LYS 10 -10.036 1.288 -2.274 74 HZ1 LYS 10 3HZ LYS 10 -10.665 2.384 -4.271 75 HZ2 LYS 10 1HZ LYS 10 -12.065 2.301 -3.320 76 HZ3 LYS 10 2HZ LYS 10 -11.861 1.229 -4.615 77 H ARG 11 H ARG 11 -4.770 0.121 -6.177 78 HA ARG 11 HA ARG 11 -4.194 -2.566 -7.173 79 HB2 ARG 11 2HB ARG 11 -3.070 0.208 -7.639 80 HB3 ARG 11 1HB ARG 11 -2.434 -1.220 -8.459 81 HG2 ARG 11 2HG ARG 11 -5.324 -1.202 -8.605 82 HG3 ARG 11 1HG ARG 11 -4.674 0.320 -9.222 83 HD2 ARG 11 2HD ARG 11 -3.541 -2.357 -10.054 84 HD3 ARG 11 1HD ARG 11 -4.869 -1.575 -10.936 85 HE ARG 11 HE ARG 11 -3.270 0.495 -10.938 86 HH11 ARG 11 1HH2 ARG 11 -2.260 -2.829 -11.138 87 HH12 ARG 11 2HH2 ARG 11 -0.772 -2.451 -11.917 88 HH21 ARG 11 1HH1 ARG 11 -1.322 0.975 -11.953 89 HH22 ARG 11 2HH1 ARG 11 -0.235 -0.301 -12.381 90 H GLY 12 H GLY 12 -3.129 -0.736 -4.529 91 HA2 GLY 12 2HA GLY 12 -0.538 -2.206 -4.402 92 HA3 GLY 12 1HA GLY 12 -0.876 -0.704 -3.543 93 H CYS 13 H CYS 13 -3.344 -1.259 -2.407 94 HA CYS 13 HA CYS 13 -2.884 -2.424 0.030 95 HB2 CYS 13 2HB CYS 13 -5.247 -2.232 -1.785 96 HB3 CYS 13 1HB CYS 13 -5.420 -3.191 -0.321 97 H GLY 14 H GLY 14 -2.408 -4.459 0.787 98 HA2 GLY 14 2HA GLY 14 -3.419 -6.917 0.095 99 HA3 GLY 14 1HA GLY 14 -2.116 -6.682 -1.074 100 H ARG 15 H ARG 15 -1.315 -8.684 0.214 101 HA ARG 15 HA ARG 15 -0.432 -8.624 2.880 102 HB2 ARG 15 2HB ARG 15 -0.473 -10.580 1.364 103 HB3 ARG 15 1HB ARG 15 0.839 -9.883 0.419 104 HG2 ARG 15 2HG ARG 15 1.883 -11.437 1.888 105 HG3 ARG 15 1HG ARG 15 2.192 -9.853 2.593 106 HD2 ARG 15 2HD ARG 15 1.425 -11.560 4.300 107 HD3 ARG 15 1HD ARG 15 0.340 -10.166 4.187 108 HE ARG 15 HE ARG 15 -1.285 -11.529 3.105 109 HH11 ARG 15 1HH2 ARG 15 1.779 -13.151 3.435 110 HH12 ARG 15 2HH2 ARG 15 1.145 -14.705 3.033 111 HH21 ARG 15 1HH1 ARG 15 -2.127 -13.551 2.602 112 HH22 ARG 15 2HH1 ARG 15 -1.097 -14.941 2.582 113 H TRP 16 H TRP 16 1.422 -7.709 -0.050 114 HA TRP 16 HA TRP 16 3.844 -6.874 1.154 115 HB2 TRP 16 2HB TRP 16 3.240 -7.038 -1.291 116 HB3 TRP 16 1HB TRP 16 2.334 -5.533 -1.110 117 HD1 TRP 16 HD TRP 16 5.884 -6.940 -0.977 118 HE1 TRP 16 1HE TRP 16 7.538 -5.029 -1.317 119 HE3 TRP 16 3HE TRP 16 2.687 -2.946 -0.886 120 HZ2 TRP 16 2HZ TRP 16 7.544 -2.191 -1.548 121 HZ3 TRP 16 3HZ TRP 16 3.548 -0.662 -1.175 122 HH2 TRP 16 HH TRP 16 5.975 -0.280 -1.508 123 H CYS 17 H CYS 17 1.057 -4.836 0.280 124 HA CYS 17 HA CYS 17 1.813 -2.427 1.523 125 HB2 CYS 17 2HB CYS 17 -0.693 -3.837 0.748 126 HB3 CYS 17 1HB CYS 17 -0.861 -2.457 1.829 127 H ARG 18 H ARG 18 0.051 -5.212 2.874 128 HA ARG 18 HA ARG 18 -0.586 -4.236 5.440 129 HB2 ARG 18 2HB ARG 18 -0.907 -6.533 4.096 130 HB3 ARG 18 1HB ARG 18 0.443 -7.027 5.106 131 HG2 ARG 18 2HG ARG 18 -0.929 -7.295 6.859 132 HG3 ARG 18 1HG ARG 18 -1.450 -5.615 6.738 133 HD2 ARG 18 2HD ARG 18 -2.571 -7.750 4.903 134 HD3 ARG 18 1HD ARG 18 -3.294 -7.399 6.480 135 HE ARG 18 HE ARG 18 -2.968 -5.393 4.280 136 HH11 ARG 18 1HH2 ARG 18 -4.503 -6.515 7.210 137 HH12 ARG 18 2HH2 ARG 18 -5.637 -5.214 7.258 138 HH21 ARG 18 1HH1 ARG 18 -4.468 -3.695 4.362 139 HH22 ARG 18 2HH1 ARG 18 -5.624 -3.629 5.644 140 H ASP 19 H ASP 19 2.439 -5.858 4.396 141 HA ASP 19 HA ASP 19 3.648 -5.337 7.058 142 HB2 ASP 19 2HB ASP 19 3.673 -7.447 5.393 143 HB3 ASP 19 1HB ASP 19 5.114 -6.620 4.799 144 H HIS 20 H HIS 20 3.925 -4.164 3.735 145 HA HIS 20 HA HIS 20 6.449 -2.726 4.410 146 HB2 HIS 20 2HB HIS 20 4.936 -3.161 1.818 147 HB3 HIS 20 1HB HIS 20 6.522 -2.405 1.951 148 HD1 HIS 20 1HD HIS 20 4.808 -5.733 2.677 149 HD2 HIS 20 2HD HIS 20 8.625 -4.208 1.995 150 HE1 HIS 20 1HE HIS 20 6.364 -7.730 2.524 151 H SER 21 H SER 21 3.027 -2.001 3.950 152 HA SER 21 HA SER 21 3.777 0.903 3.898 153 HB2 SER 21 2HB SER 21 1.244 -0.008 2.651 154 HB3 SER 21 1HB SER 21 2.352 1.250 2.144 155 HG SER 21 HG SER 21 3.804 -0.700 1.717 156 H ARG 22 H ARG 22 2.244 2.361 4.821 157 HA ARG 22 HA ARG 22 0.443 1.116 6.869 158 HB2 ARG 22 2HB ARG 22 1.936 3.761 6.758 159 HB3 ARG 22 1HB ARG 22 0.833 3.300 8.052 160 HG2 ARG 22 2HG ARG 22 2.922 1.304 7.390 161 HG3 ARG 22 1HG ARG 22 3.499 2.801 8.122 162 HD2 ARG 22 2HD ARG 22 1.254 1.096 9.267 163 HD3 ARG 22 1HD ARG 22 2.929 1.070 9.837 164 HE ARG 22 HE ARG 22 1.025 3.316 10.181 165 HH11 ARG 22 1HH2 ARG 22 4.309 2.139 10.346 166 HH12 ARG 22 2HH2 ARG 22 4.848 3.431 11.353 167 HH21 ARG 22 1HH1 ARG 22 1.758 5.004 11.484 168 HH22 ARG 22 2HH1 ARG 22 3.414 5.050 11.993 169 H CYS 23 H CYS 23 0.448 2.765 3.911 170 HA CYS 23 HA CYS 23 -1.825 4.545 4.304 171 HB2 CYS 23 2HB CYS 23 -0.067 4.989 2.672 172 HB3 CYS 23 1HB CYS 23 -0.350 3.437 1.892 173 H CYS 24 H CYS 24 -1.486 1.141 3.657 174 HA CYS 24 HA CYS 24 -4.301 0.987 2.650 175 HB2 CYS 24 2HB CYS 24 -1.784 -0.558 2.339 176 HB3 CYS 24 1HB CYS 24 -3.253 -1.523 2.434 177 HN1 NH2 25 2H CYS 24 -4.511 0.189 6.321 178 HN2 NH2 25 1H CYS 24 -4.158 1.572 5.403 Start of MODEL 15 1 H1 VAL 1 1HT VAL 1 10.128 2.215 1.389 2 H2 VAL 1 2HT VAL 1 9.686 2.747 -0.166 3 H3 VAL 1 3HT VAL 1 11.093 1.836 0.046 4 HA VAL 1 HA VAL 1 9.328 0.458 -0.878 5 HB VAL 1 HB VAL 1 9.759 -0.249 2.042 6 HG11 VAL 1 2HG1 VAL 1 8.452 -1.865 0.814 7 HG12 VAL 1 3HG1 VAL 1 10.071 -2.532 1.008 8 HG13 VAL 1 1HG1 VAL 1 9.594 -1.833 -0.534 9 HG21 VAL 1 1HG2 VAL 1 11.959 0.323 1.550 10 HG22 VAL 1 2HG2 VAL 1 11.766 -0.005 -0.174 11 HG23 VAL 1 3HG2 VAL 1 11.928 -1.346 0.962 12 H GLY 2 H GLY 2 7.239 -0.637 -0.324 13 HA2 GLY 2 2HA GLY 2 5.038 -0.661 0.535 14 HA3 GLY 2 1HA GLY 2 5.536 0.498 1.744 15 H GLU 3 H GLU 3 6.445 2.588 0.055 16 HA GLU 3 HA GLU 3 4.378 4.277 -0.401 17 HB2 GLU 3 2HB GLU 3 5.816 5.185 -2.279 18 HB3 GLU 3 1HB GLU 3 6.674 4.881 -0.768 19 HG2 GLU 3 2HG GLU 3 7.327 2.618 -1.691 20 HG3 GLU 3 1HG GLU 3 6.639 3.115 -3.234 21 H ARG 4 H ARG 4 5.282 1.688 -2.670 22 HA ARG 4 HA ARG 4 3.704 2.304 -4.884 23 HB2 ARG 4 2HB ARG 4 4.858 0.405 -5.343 24 HB3 ARG 4 1HB ARG 4 5.005 0.011 -3.638 25 HG2 ARG 4 2HG ARG 4 3.733 -1.771 -4.306 26 HG3 ARG 4 1HG ARG 4 2.428 -0.637 -3.952 27 HD2 ARG 4 2HD ARG 4 2.611 0.111 -6.404 28 HD3 ARG 4 1HD ARG 4 3.596 -1.339 -6.664 29 HE ARG 4 HE ARG 4 0.712 -1.295 -6.043 30 HH11 ARG 4 1HH2 ARG 4 3.674 -3.116 -6.162 31 HH12 ARG 4 2HH2 ARG 4 2.877 -4.638 -6.337 32 HH21 ARG 4 1HH1 ARG 4 -0.336 -3.293 -6.225 33 HH22 ARG 4 2HH1 ARG 4 0.604 -4.745 -6.338 34 H CYS 5 H CYS 5 2.726 1.148 -1.718 35 HA CYS 5 HA CYS 5 0.082 0.257 -2.311 36 HB2 CYS 5 2HB CYS 5 1.525 0.050 -0.185 37 HB3 CYS 5 1HB CYS 5 0.979 1.681 0.198 38 H CYS 6 H CYS 6 1.064 3.417 -0.882 39 HA CYS 6 HA CYS 6 -1.469 4.704 -1.331 40 HB2 CYS 6 2HB CYS 6 1.131 5.300 -0.259 41 HB3 CYS 6 1HB CYS 6 0.698 6.581 -1.383 42 H LYS 7 H LYS 7 1.526 4.510 -3.252 43 HA LYS 7 HA LYS 7 0.935 6.327 -5.332 44 HB2 LYS 7 2HB LYS 7 2.563 3.875 -4.931 45 HB3 LYS 7 1HB LYS 7 2.263 4.332 -6.605 46 HG2 LYS 7 2HG LYS 7 3.665 6.101 -6.488 47 HG3 LYS 7 1HG LYS 7 3.000 6.627 -4.942 48 HD2 LYS 7 2HD LYS 7 5.186 6.055 -4.372 49 HD3 LYS 7 1HD LYS 7 4.298 4.592 -3.971 50 HE2 LYS 7 2HE LYS 7 5.673 3.443 -5.365 51 HE3 LYS 7 1HE LYS 7 4.991 4.366 -6.719 52 HZ1 LYS 7 3HZ LYS 7 7.284 5.176 -4.981 53 HZ2 LYS 7 1HZ LYS 7 6.543 6.198 -6.124 54 HZ3 LYS 7 2HZ LYS 7 7.334 4.794 -6.642 55 H ASN 8 H ASN 8 -0.408 3.156 -4.691 56 HA ASN 8 HA ASN 8 -1.903 3.285 -7.290 57 HB2 ASN 8 2HB ASN 8 -0.322 1.240 -5.890 58 HB3 ASN 8 1HB ASN 8 -1.847 0.650 -6.522 59 HD21 ASN 8 1HD2 ASN 8 1.330 1.154 -7.353 60 HD22 ASN 8 2HD2 ASN 8 1.149 1.222 -9.028 61 H GLY 9 H GLY 9 -2.312 3.412 -3.916 62 HA2 GLY 9 2HA GLY 9 -4.199 3.211 -2.545 63 HA3 GLY 9 1HA GLY 9 -5.141 3.483 -4.009 64 H LYS 10 H LYS 10 -6.574 1.867 -4.330 65 HA LYS 10 HA LYS 10 -6.591 -0.644 -3.025 66 HB2 LYS 10 2HB LYS 10 -8.234 -1.233 -4.847 67 HB3 LYS 10 1HB LYS 10 -8.562 0.309 -4.063 68 HG2 LYS 10 2HG LYS 10 -8.526 1.286 -6.091 69 HG3 LYS 10 1HG LYS 10 -6.815 0.890 -6.214 70 HD2 LYS 10 2HD LYS 10 -7.344 -0.462 -7.944 71 HD3 LYS 10 1HD LYS 10 -8.146 -1.515 -6.782 72 HE2 LYS 10 2HE LYS 10 -9.736 -0.944 -8.551 73 HE3 LYS 10 1HE LYS 10 -10.231 -0.110 -7.063 74 HZ1 LYS 10 3HZ LYS 10 -8.353 1.194 -8.929 75 HZ2 LYS 10 1HZ LYS 10 -9.419 1.901 -7.812 76 HZ3 LYS 10 2HZ LYS 10 -10.020 1.236 -9.245 77 H ARG 11 H ARG 11 -4.886 0.358 -5.938 78 HA ARG 11 HA ARG 11 -4.270 -2.325 -6.899 79 HB2 ARG 11 2HB ARG 11 -3.112 0.432 -7.422 80 HB3 ARG 11 1HB ARG 11 -2.679 -1.004 -8.339 81 HG2 ARG 11 2HG ARG 11 -4.680 -1.090 -9.424 82 HG3 ARG 11 1HG ARG 11 -5.576 -0.442 -8.053 83 HD2 ARG 11 2HD ARG 11 -5.532 1.242 -9.824 84 HD3 ARG 11 1HD ARG 11 -4.494 1.784 -8.491 85 HE ARG 11 HE ARG 11 -2.566 1.333 -9.822 86 HH11 ARG 11 1HH2 ARG 11 -5.504 0.177 -11.312 87 HH12 ARG 11 2HH2 ARG 11 -4.777 -0.036 -12.863 88 HH21 ARG 11 1HH1 ARG 11 -1.630 1.062 -11.864 89 HH22 ARG 11 2HH1 ARG 11 -2.579 0.458 -13.181 90 H GLY 12 H GLY 12 -3.133 -0.434 -4.331 91 HA2 GLY 12 2HA GLY 12 -0.468 -1.761 -4.316 92 HA3 GLY 12 1HA GLY 12 -0.906 -0.339 -3.371 93 H CYS 13 H CYS 13 -3.521 -1.626 -2.559 94 HA CYS 13 HA CYS 13 -2.865 -2.666 -0.040 95 HB2 CYS 13 2HB CYS 13 -5.167 -2.655 -1.892 96 HB3 CYS 13 1HB CYS 13 -5.208 -3.945 -0.696 97 H GLY 14 H GLY 14 -2.544 -4.755 0.775 98 HA2 GLY 14 2HA GLY 14 -2.882 -7.260 -0.138 99 HA3 GLY 14 1HA GLY 14 -1.533 -6.747 -1.160 100 H ARG 15 H ARG 15 -1.132 -8.846 0.607 101 HA ARG 15 HA ARG 15 -0.259 -8.361 3.219 102 HB2 ARG 15 2HB ARG 15 1.474 -10.193 2.663 103 HB3 ARG 15 1HB ARG 15 -0.219 -10.585 2.384 104 HG2 ARG 15 2HG ARG 15 0.181 -10.953 0.199 105 HG3 ARG 15 1HG ARG 15 0.881 -9.352 0.012 106 HD2 ARG 15 2HD ARG 15 2.594 -10.955 -0.575 107 HD3 ARG 15 1HD ARG 15 3.026 -10.293 1.014 108 HE ARG 15 HE ARG 15 1.385 -12.786 0.863 109 HH11 ARG 15 1HH2 ARG 15 4.312 -11.119 1.799 110 HH12 ARG 15 2HH2 ARG 15 4.850 -12.400 2.814 111 HH21 ARG 15 1HH1 ARG 15 2.121 -14.441 2.211 112 HH22 ARG 15 2HH1 ARG 15 3.623 -14.269 3.044 113 H TRP 16 H TRP 16 1.515 -7.724 0.206 114 HA TRP 16 HA TRP 16 4.028 -6.880 1.231 115 HB2 TRP 16 2HB TRP 16 3.300 -7.222 -1.154 116 HB3 TRP 16 1HB TRP 16 2.402 -5.709 -1.051 117 HD1 TRP 16 HD TRP 16 5.936 -7.108 -1.024 118 HE1 TRP 16 1HE TRP 16 7.566 -5.246 -1.612 119 HE3 TRP 16 3HE TRP 16 2.761 -3.103 -0.944 120 HZ2 TRP 16 2HZ TRP 16 7.554 -2.412 -2.027 121 HZ3 TRP 16 3HZ TRP 16 3.609 -0.837 -1.435 122 HH2 TRP 16 HH TRP 16 5.996 -0.483 -1.976 123 H CYS 17 H CYS 17 1.252 -4.764 0.335 124 HA CYS 17 HA CYS 17 2.270 -2.422 1.627 125 HB2 CYS 17 2HB CYS 17 0.410 -2.442 0.009 126 HB3 CYS 17 1HB CYS 17 -0.582 -3.350 1.149 127 H ARG 18 H ARG 18 0.065 -4.990 2.789 128 HA ARG 18 HA ARG 18 -0.614 -4.134 5.341 129 HB2 ARG 18 2HB ARG 18 -0.925 -6.377 3.996 130 HB3 ARG 18 1HB ARG 18 0.480 -6.897 4.911 131 HG2 ARG 18 2HG ARG 18 -0.635 -6.773 6.958 132 HG3 ARG 18 1HG ARG 18 -1.838 -5.637 6.346 133 HD2 ARG 18 2HD ARG 18 -1.683 -8.410 5.163 134 HD3 ARG 18 1HD ARG 18 -2.566 -8.141 6.680 135 HE ARG 18 HE ARG 18 -3.351 -6.083 4.900 136 HH11 ARG 18 1HH2 ARG 18 -3.476 -9.564 5.065 137 HH12 ARG 18 2HH2 ARG 18 -4.973 -9.672 4.215 138 HH21 ARG 18 1HH1 ARG 18 -5.334 -6.229 3.825 139 HH22 ARG 18 2HH1 ARG 18 -6.036 -7.780 3.521 140 H ASP 19 H ASP 19 2.463 -5.734 4.451 141 HA ASP 19 HA ASP 19 3.550 -5.180 7.153 142 HB2 ASP 19 2HB ASP 19 3.721 -7.324 5.601 143 HB3 ASP 19 1HB ASP 19 5.087 -6.438 4.910 144 H HIS 20 H HIS 20 3.850 -3.958 3.874 145 HA HIS 20 HA HIS 20 6.345 -2.479 4.588 146 HB2 HIS 20 2HB HIS 20 4.885 -2.993 1.976 147 HB3 HIS 20 1HB HIS 20 6.421 -2.144 2.110 148 HD1 HIS 20 1HD HIS 20 4.908 -5.547 2.911 149 HD2 HIS 20 2HD HIS 20 8.615 -3.841 2.121 150 HE1 HIS 20 1HE HIS 20 6.569 -7.457 2.778 151 H SER 21 H SER 21 2.947 -1.857 4.400 152 HA SER 21 HA SER 21 3.516 1.064 4.466 153 HB2 SER 21 2HB SER 21 2.749 -0.388 2.147 154 HB3 SER 21 1HB SER 21 1.350 0.560 2.632 155 HG SER 21 HG SER 21 3.954 1.681 2.524 156 H ARG 22 H ARG 22 1.834 2.300 5.356 157 HA ARG 22 HA ARG 22 -0.289 0.780 6.802 158 HB2 ARG 22 2HB ARG 22 0.658 3.658 7.058 159 HB3 ARG 22 1HB ARG 22 -0.412 2.812 8.175 160 HG2 ARG 22 2HG ARG 22 1.388 2.065 9.308 161 HG3 ARG 22 1HG ARG 22 1.918 1.200 7.867 162 HD2 ARG 22 2HD ARG 22 3.674 2.770 8.635 163 HD3 ARG 22 1HD ARG 22 3.050 3.263 7.057 164 HE ARG 22 HE ARG 22 1.758 5.019 8.135 165 HH11 ARG 22 1HH2 ARG 22 3.782 3.180 10.292 166 HH12 ARG 22 2HH2 ARG 22 3.748 4.374 11.540 167 HH21 ARG 22 1HH1 ARG 22 1.733 6.583 9.755 168 HH22 ARG 22 2HH1 ARG 22 2.577 6.308 11.239 169 H CYS 23 H CYS 23 0.199 2.681 4.013 170 HA CYS 23 HA CYS 23 -2.346 4.086 3.877 171 HB2 CYS 23 2HB CYS 23 -0.214 4.746 2.752 172 HB3 CYS 23 1HB CYS 23 -0.318 3.303 1.745 173 H CYS 24 H CYS 24 -3.278 1.663 4.533 174 HA CYS 24 HA CYS 24 -4.998 0.866 2.384 175 HB2 CYS 24 2HB CYS 24 -2.331 -0.261 2.383 176 HB3 CYS 24 1HB CYS 24 -3.510 -1.544 2.631 177 HN1 NH2 25 2H CYS 24 -6.141 -0.044 5.781 178 HN2 NH2 25 1H CYS 24 -5.859 1.359 4.870 Start of MODEL 16 1 H1 VAL 1 1HT VAL 1 10.082 2.341 2.577 2 H2 VAL 1 2HT VAL 1 11.341 1.211 2.652 3 H3 VAL 1 3HT VAL 1 9.935 0.985 3.577 4 HA VAL 1 HA VAL 1 9.903 1.079 0.614 5 HB VAL 1 HB VAL 1 11.396 -0.709 1.351 6 HG11 VAL 1 2HG1 VAL 1 9.329 -1.074 3.459 7 HG12 VAL 1 3HG1 VAL 1 11.069 -1.329 3.533 8 HG13 VAL 1 1HG1 VAL 1 10.027 -2.549 2.805 9 HG21 VAL 1 1HG2 VAL 1 8.753 -2.074 0.869 10 HG22 VAL 1 2HG2 VAL 1 10.347 -2.517 0.260 11 HG23 VAL 1 3HG2 VAL 1 9.514 -1.104 -0.390 12 H GLY 2 H GLY 2 7.782 0.887 -0.149 13 HA2 GLY 2 2HA GLY 2 5.561 -0.359 0.596 14 HA3 GLY 2 1HA GLY 2 5.636 0.805 1.902 15 H GLU 3 H GLU 3 6.884 2.736 -0.167 16 HA GLU 3 HA GLU 3 4.863 4.497 -0.687 17 HB2 GLU 3 2HB GLU 3 6.255 5.079 -2.755 18 HB3 GLU 3 1HB GLU 3 7.128 5.008 -1.224 19 HG2 GLU 3 2HG GLU 3 7.981 2.800 -1.729 20 HG3 GLU 3 1HG GLU 3 6.929 2.661 -3.132 21 H ARG 4 H ARG 4 5.487 1.614 -2.645 22 HA ARG 4 HA ARG 4 3.889 2.193 -4.899 23 HB2 ARG 4 2HB ARG 4 4.367 -0.458 -3.509 24 HB3 ARG 4 1HB ARG 4 3.859 -0.259 -5.180 25 HG2 ARG 4 2HG ARG 4 6.511 0.444 -3.932 26 HG3 ARG 4 1HG ARG 4 6.177 -0.571 -5.331 27 HD2 ARG 4 2HD ARG 4 5.563 1.349 -6.682 28 HD3 ARG 4 1HD ARG 4 5.683 2.423 -5.275 29 HE ARG 4 HE ARG 4 8.053 2.306 -5.406 30 HH11 ARG 4 1HH2 ARG 4 6.518 -0.084 -7.456 31 HH12 ARG 4 2HH2 ARG 4 7.997 -0.536 -8.231 32 HH21 ARG 4 1HH1 ARG 4 9.962 1.679 -6.422 33 HH22 ARG 4 2HH1 ARG 4 9.939 0.455 -7.650 34 H CYS 5 H CYS 5 2.857 1.144 -1.689 35 HA CYS 5 HA CYS 5 0.276 0.151 -2.414 36 HB2 CYS 5 2HB CYS 5 1.416 -0.212 -0.276 37 HB3 CYS 5 1HB CYS 5 1.222 1.495 0.122 38 H CYS 6 H CYS 6 0.726 3.284 -0.665 39 HA CYS 6 HA CYS 6 -1.833 4.318 -1.324 40 HB2 CYS 6 2HB CYS 6 0.574 5.184 -0.067 41 HB3 CYS 6 1HB CYS 6 0.119 6.433 -1.223 42 H LYS 7 H LYS 7 1.193 4.422 -3.183 43 HA LYS 7 HA LYS 7 0.462 6.220 -5.265 44 HB2 LYS 7 2HB LYS 7 2.485 4.287 -4.654 45 HB3 LYS 7 1HB LYS 7 1.929 3.982 -6.288 46 HG2 LYS 7 2HG LYS 7 2.779 6.695 -5.257 47 HG3 LYS 7 1HG LYS 7 3.812 5.604 -6.179 48 HD2 LYS 7 2HD LYS 7 1.178 6.754 -7.143 49 HD3 LYS 7 1HD LYS 7 2.778 7.299 -7.646 50 HE2 LYS 7 2HE LYS 7 2.981 5.594 -9.143 51 HE3 LYS 7 1HE LYS 7 2.458 4.393 -7.948 52 HZ1 LYS 7 3HZ LYS 7 0.803 4.543 -9.648 53 HZ2 LYS 7 1HZ LYS 7 0.727 6.226 -9.509 54 HZ3 LYS 7 2HZ LYS 7 0.163 5.246 -8.234 55 H ASN 8 H ASN 8 -0.517 2.945 -4.603 56 HA ASN 8 HA ASN 8 -1.844 2.693 -7.267 57 HB2 ASN 8 2HB ASN 8 -0.623 0.911 -5.227 58 HB3 ASN 8 1HB ASN 8 -1.982 0.256 -6.117 59 HD21 ASN 8 1HD2 ASN 8 1.327 0.525 -6.229 60 HD22 ASN 8 2HD2 ASN 8 1.534 0.357 -7.895 61 H GLY 9 H GLY 9 -2.538 3.161 -3.906 62 HA2 GLY 9 2HA GLY 9 -4.584 3.333 -2.768 63 HA3 GLY 9 1HA GLY 9 -5.354 3.473 -4.344 64 H LYS 10 H LYS 10 -6.695 1.837 -4.870 65 HA LYS 10 HA LYS 10 -7.111 -0.457 -3.220 66 HB2 LYS 10 2HB LYS 10 -7.778 0.193 -6.108 67 HB3 LYS 10 1HB LYS 10 -8.407 -1.227 -5.268 68 HG2 LYS 10 2HG LYS 10 -9.081 0.595 -3.432 69 HG3 LYS 10 1HG LYS 10 -9.040 1.668 -4.834 70 HD2 LYS 10 2HD LYS 10 -10.421 -0.429 -5.884 71 HD3 LYS 10 1HD LYS 10 -10.924 -0.534 -4.196 72 HE2 LYS 10 2HE LYS 10 -12.468 0.944 -5.416 73 HE3 LYS 10 1HE LYS 10 -11.523 1.912 -4.271 74 HZ1 LYS 10 3HZ LYS 10 -10.270 1.507 -6.855 75 HZ2 LYS 10 1HZ LYS 10 -10.394 2.916 -5.922 76 HZ3 LYS 10 2HZ LYS 10 -11.687 2.432 -6.902 77 H ARG 11 H ARG 11 -5.000 0.106 -5.995 78 HA ARG 11 HA ARG 11 -4.311 -2.707 -6.365 79 HB2 ARG 11 2HB ARG 11 -3.016 -0.106 -7.244 80 HB3 ARG 11 1HB ARG 11 -2.502 -1.698 -7.786 81 HG2 ARG 11 2HG ARG 11 -5.116 -1.918 -8.358 82 HG3 ARG 11 1HG ARG 11 -4.962 -0.162 -8.477 83 HD2 ARG 11 2HD ARG 11 -4.455 -0.969 -10.683 84 HD3 ARG 11 1HD ARG 11 -2.871 -0.632 -9.955 85 HE ARG 11 HE ARG 11 -3.880 -3.357 -9.480 86 HH11 ARG 11 1HH2 ARG 11 -1.995 -1.246 -11.520 87 HH12 ARG 11 2HH2 ARG 11 -1.029 -2.531 -12.162 88 HH21 ARG 11 1HH1 ARG 11 -2.641 -5.027 -10.350 89 HH22 ARG 11 2HH1 ARG 11 -1.392 -4.674 -11.490 90 H GLY 12 H GLY 12 -3.311 -0.171 -4.273 91 HA2 GLY 12 2HA GLY 12 -0.724 -1.298 -3.576 92 HA3 GLY 12 1HA GLY 12 -1.550 0.007 -2.727 93 H CYS 13 H CYS 13 -4.021 -1.467 -2.282 94 HA CYS 13 HA CYS 13 -3.489 -2.682 0.228 95 HB2 CYS 13 2HB CYS 13 -5.687 -2.076 -1.419 96 HB3 CYS 13 1HB CYS 13 -5.822 -3.797 -1.093 97 H GLY 14 H GLY 14 -2.338 -4.493 0.586 98 HA2 GLY 14 2HA GLY 14 -2.934 -7.056 -0.445 99 HA3 GLY 14 1HA GLY 14 -1.614 -6.401 -1.418 100 H ARG 15 H ARG 15 -1.068 -8.631 0.105 101 HA ARG 15 HA ARG 15 -0.236 -8.439 2.763 102 HB2 ARG 15 2HB ARG 15 -0.007 -10.522 1.683 103 HB3 ARG 15 1HB ARG 15 0.840 -9.822 0.309 104 HG2 ARG 15 2HG ARG 15 2.625 -10.819 1.407 105 HG3 ARG 15 1HG ARG 15 2.665 -9.228 2.159 106 HD2 ARG 15 2HD ARG 15 2.762 -10.703 3.998 107 HD3 ARG 15 1HD ARG 15 1.038 -10.285 3.919 108 HE ARG 15 HE ARG 15 1.268 -12.465 2.207 109 HH11 ARG 15 1HH2 ARG 15 2.099 -11.793 5.516 110 HH12 ARG 15 2HH2 ARG 15 1.910 -13.435 6.025 111 HH21 ARG 15 1HH1 ARG 15 1.016 -14.604 2.877 112 HH22 ARG 15 2HH1 ARG 15 1.291 -15.025 4.531 113 H TRP 16 H TRP 16 1.827 -7.658 -0.063 114 HA TRP 16 HA TRP 16 4.125 -6.692 1.235 115 HB2 TRP 16 2HB TRP 16 3.587 -7.025 -1.238 116 HB3 TRP 16 1HB TRP 16 2.816 -5.436 -1.188 117 HD1 TRP 16 HD TRP 16 6.208 -7.144 -0.875 118 HE1 TRP 16 1HE TRP 16 8.046 -5.383 -1.136 119 HE3 TRP 16 3HE TRP 16 3.352 -2.930 -0.935 120 HZ2 TRP 16 2HZ TRP 16 8.280 -2.509 -1.339 121 HZ3 TRP 16 3HZ TRP 16 4.397 -0.706 -1.159 122 HH2 TRP 16 HH TRP 16 6.859 -0.487 -1.371 123 H CYS 17 H CYS 17 1.458 -4.594 0.046 124 HA CYS 17 HA CYS 17 2.315 -2.240 1.400 125 HB2 CYS 17 2HB CYS 17 0.731 -1.993 -0.315 126 HB3 CYS 17 1HB CYS 17 -0.283 -3.272 0.309 127 H ARG 18 H ARG 18 -0.032 -4.728 2.361 128 HA ARG 18 HA ARG 18 -0.981 -3.677 4.780 129 HB2 ARG 18 2HB ARG 18 -0.628 -6.297 3.523 130 HB3 ARG 18 1HB ARG 18 -0.636 -6.377 5.286 131 HG2 ARG 18 2HG ARG 18 -2.731 -4.943 5.238 132 HG3 ARG 18 1HG ARG 18 -2.769 -5.190 3.491 133 HD2 ARG 18 2HD ARG 18 -2.516 -7.599 5.273 134 HD3 ARG 18 1HD ARG 18 -4.109 -6.844 5.074 135 HE ARG 18 HE ARG 18 -2.467 -8.044 2.906 136 HH11 ARG 18 1HH2 ARG 18 -5.297 -6.297 3.900 137 HH12 ARG 18 2HH2 ARG 18 -6.226 -6.746 2.515 138 HH21 ARG 18 1HH1 ARG 18 -3.670 -8.617 1.072 139 HH22 ARG 18 2HH1 ARG 18 -5.293 -8.043 0.891 140 H ASP 19 H ASP 19 2.066 -5.469 4.250 141 HA ASP 19 HA ASP 19 2.833 -5.121 7.101 142 HB2 ASP 19 2HB ASP 19 3.058 -7.211 5.488 143 HB3 ASP 19 1HB ASP 19 4.540 -6.392 4.986 144 H HIS 20 H HIS 20 3.847 -3.988 3.882 145 HA HIS 20 HA HIS 20 6.181 -2.566 5.055 146 HB2 HIS 20 2HB HIS 20 5.177 -2.908 2.206 147 HB3 HIS 20 1HB HIS 20 6.728 -2.218 2.663 148 HD1 HIS 20 1HD HIS 20 4.801 -5.497 2.894 149 HD2 HIS 20 2HD HIS 20 8.724 -4.118 3.062 150 HE1 HIS 20 1HE HIS 20 6.283 -7.550 2.975 151 H SER 21 H SER 21 3.374 -1.800 3.011 152 HA SER 21 HA SER 21 3.805 1.070 3.111 153 HB2 SER 21 2HB SER 21 1.438 -0.622 2.304 154 HB3 SER 21 1HB SER 21 1.706 1.043 1.833 155 HG SER 21 HG SER 21 3.367 0.427 0.563 156 H ARG 22 H ARG 22 2.172 2.595 3.907 157 HA ARG 22 HA ARG 22 0.691 1.633 6.333 158 HB2 ARG 22 2HB ARG 22 2.720 3.624 5.981 159 HB3 ARG 22 1HB ARG 22 1.217 4.462 6.371 160 HG2 ARG 22 2HG ARG 22 1.096 2.396 8.141 161 HG3 ARG 22 1HG ARG 22 2.845 2.624 8.031 162 HD2 ARG 22 2HD ARG 22 1.945 4.051 9.829 163 HD3 ARG 22 1HD ARG 22 2.500 5.076 8.492 164 HE ARG 22 HE ARG 22 -0.048 4.772 7.729 165 HH11 ARG 22 1HH2 ARG 22 1.211 5.227 10.955 166 HH12 ARG 22 2HH2 ARG 22 -0.220 6.011 11.528 167 HH21 ARG 22 1HH1 ARG 22 -1.905 5.808 8.503 168 HH22 ARG 22 2HH1 ARG 22 -1.976 6.335 10.146 169 H CYS 23 H CYS 23 -0.161 1.821 3.466 170 HA CYS 23 HA CYS 23 -2.303 3.896 3.674 171 HB2 CYS 23 2HB CYS 23 -0.463 3.883 1.841 172 HB3 CYS 23 1HB CYS 23 -1.332 2.505 1.174 173 H CYS 24 H CYS 24 -1.675 0.508 3.670 174 HA CYS 24 HA CYS 24 -4.561 -0.101 3.677 175 HB2 CYS 24 2HB CYS 24 -2.903 -0.350 1.342 176 HB3 CYS 24 1HB CYS 24 -3.390 -1.954 1.879 177 HN1 NH2 25 2H CYS 24 -2.114 -2.049 5.934 178 HN2 NH2 25 1H CYS 24 -2.214 -0.389 5.584 Start of MODEL 17 1 H1 VAL 1 1HT VAL 1 11.578 1.463 0.843 2 H2 VAL 1 2HT VAL 1 10.332 1.969 1.879 3 H3 VAL 1 3HT VAL 1 10.406 2.555 0.287 4 HA VAL 1 HA VAL 1 9.729 0.556 -0.652 5 HB VAL 1 HB VAL 1 11.354 -0.792 0.588 6 HG11 VAL 1 2HG1 VAL 1 11.019 0.258 2.813 7 HG12 VAL 1 3HG1 VAL 1 10.951 -1.499 2.897 8 HG13 VAL 1 1HG1 VAL 1 9.461 -0.558 2.951 9 HG21 VAL 1 1HG2 VAL 1 10.032 -2.804 0.911 10 HG22 VAL 1 2HG2 VAL 1 9.408 -1.916 -0.477 11 HG23 VAL 1 3HG2 VAL 1 8.554 -1.852 1.068 12 H GLY 2 H GLY 2 7.574 -0.364 -0.489 13 HA2 GLY 2 2HA GLY 2 5.402 -0.637 0.541 14 HA3 GLY 2 1HA GLY 2 5.865 0.538 1.764 15 H GLU 3 H GLU 3 6.812 2.577 0.088 16 HA GLU 3 HA GLU 3 4.832 4.337 -0.424 17 HB2 GLU 3 2HB GLU 3 6.342 5.038 -2.411 18 HB3 GLU 3 1HB GLU 3 7.069 4.955 -0.807 19 HG2 GLU 3 2HG GLU 3 7.460 2.389 -1.635 20 HG3 GLU 3 1HG GLU 3 7.527 3.224 -3.178 21 H ARG 4 H ARG 4 5.762 1.861 -2.806 22 HA ARG 4 HA ARG 4 4.159 2.538 -4.984 23 HB2 ARG 4 2HB ARG 4 5.199 0.652 -5.639 24 HB3 ARG 4 1HB ARG 4 5.622 0.292 -3.971 25 HG2 ARG 4 2HG ARG 4 4.395 -1.591 -4.577 26 HG3 ARG 4 1HG ARG 4 3.152 -0.598 -3.824 27 HD2 ARG 4 2HD ARG 4 1.995 -0.459 -5.774 28 HD3 ARG 4 1HD ARG 4 3.450 0.067 -6.645 29 HE ARG 4 HE ARG 4 3.105 -2.818 -5.949 30 HH11 ARG 4 1HH2 ARG 4 3.528 -0.277 -8.306 31 HH12 ARG 4 2HH2 ARG 4 3.811 -1.375 -9.605 32 HH21 ARG 4 1HH1 ARG 4 3.494 -4.229 -7.668 33 HH22 ARG 4 2HH1 ARG 4 3.791 -3.596 -9.249 34 H CYS 5 H CYS 5 3.130 1.194 -1.900 35 HA CYS 5 HA CYS 5 0.543 0.220 -2.632 36 HB2 CYS 5 2HB CYS 5 1.659 -0.270 -0.516 37 HB3 CYS 5 1HB CYS 5 1.640 1.437 -0.077 38 H CYS 6 H CYS 6 1.315 3.361 -1.006 39 HA CYS 6 HA CYS 6 -1.293 4.493 -1.382 40 HB2 CYS 6 2HB CYS 6 1.348 5.997 -1.264 41 HB3 CYS 6 1HB CYS 6 -0.237 6.566 -0.752 42 H LYS 7 H LYS 7 1.568 4.403 -3.482 43 HA LYS 7 HA LYS 7 0.756 6.318 -5.436 44 HB2 LYS 7 2HB LYS 7 2.577 3.977 -5.222 45 HB3 LYS 7 1HB LYS 7 2.146 4.463 -6.858 46 HG2 LYS 7 2HG LYS 7 3.176 6.394 -4.767 47 HG3 LYS 7 1HG LYS 7 4.217 5.588 -5.940 48 HD2 LYS 7 2HD LYS 7 1.882 7.415 -6.596 49 HD3 LYS 7 1HD LYS 7 3.586 7.825 -6.755 50 HE2 LYS 7 2HE LYS 7 3.506 7.004 -8.867 51 HE3 LYS 7 1HE LYS 7 3.254 5.391 -8.174 52 HZ1 LYS 7 3HZ LYS 7 0.898 5.763 -8.105 53 HZ2 LYS 7 1HZ LYS 7 1.421 6.138 -9.677 54 HZ3 LYS 7 2HZ LYS 7 1.077 7.382 -8.575 55 H ASN 8 H ASN 8 -0.505 3.169 -4.728 56 HA ASN 8 HA ASN 8 -1.950 3.113 -7.354 57 HB2 ASN 8 2HB ASN 8 -0.498 1.178 -5.703 58 HB3 ASN 8 1HB ASN 8 -2.067 0.591 -6.226 59 HD21 ASN 8 1HD2 ASN 8 1.132 0.989 -7.200 60 HD22 ASN 8 2HD2 ASN 8 0.900 0.744 -8.850 61 H GLY 9 H GLY 9 -2.407 3.432 -3.959 62 HA2 GLY 9 2HA GLY 9 -4.365 3.569 -2.676 63 HA3 GLY 9 1HA GLY 9 -5.238 3.758 -4.195 64 H LYS 10 H LYS 10 -6.768 2.199 -4.421 65 HA LYS 10 HA LYS 10 -6.946 -0.175 -2.889 66 HB2 LYS 10 2HB LYS 10 -8.621 -0.825 -4.623 67 HB3 LYS 10 1HB LYS 10 -8.825 0.833 -4.071 68 HG2 LYS 10 2HG LYS 10 -8.846 1.343 -6.275 69 HG3 LYS 10 1HG LYS 10 -7.095 1.170 -6.173 70 HD2 LYS 10 2HD LYS 10 -7.092 -0.809 -7.318 71 HD3 LYS 10 1HD LYS 10 -8.569 -1.369 -6.541 72 HE2 LYS 10 2HE LYS 10 -8.638 -0.834 -9.101 73 HE3 LYS 10 1HE LYS 10 -9.961 -0.231 -8.091 74 HZ1 LYS 10 3HZ LYS 10 -8.798 1.431 -9.623 75 HZ2 LYS 10 1HZ LYS 10 -7.506 1.371 -8.543 76 HZ3 LYS 10 2HZ LYS 10 -9.033 1.898 -8.012 77 H ARG 11 H ARG 11 -5.110 0.448 -5.830 78 HA ARG 11 HA ARG 11 -4.699 -2.352 -6.507 79 HB2 ARG 11 2HB ARG 11 -3.347 0.253 -7.258 80 HB3 ARG 11 1HB ARG 11 -2.827 -1.298 -7.902 81 HG2 ARG 11 2HG ARG 11 -5.295 -1.648 -8.564 82 HG3 ARG 11 1HG ARG 11 -5.480 0.081 -8.279 83 HD2 ARG 11 2HD ARG 11 -4.957 -0.082 -10.595 84 HD3 ARG 11 1HD ARG 11 -3.410 0.342 -9.836 85 HE ARG 11 HE ARG 11 -3.437 -2.424 -9.723 86 HH11 ARG 11 1HH2 ARG 11 -3.910 -0.074 -12.244 87 HH12 ARG 11 2HH2 ARG 11 -3.238 -1.075 -13.480 88 HH21 ARG 11 1HH1 ARG 11 -2.536 -3.727 -11.342 89 HH22 ARG 11 2HH1 ARG 11 -2.465 -3.160 -12.966 90 H GLY 12 H GLY 12 -3.390 -0.268 -4.126 91 HA2 GLY 12 2HA GLY 12 -0.905 -1.856 -3.869 92 HA3 GLY 12 1HA GLY 12 -1.267 -0.373 -2.994 93 H CYS 13 H CYS 13 -3.890 -2.609 -3.026 94 HA CYS 13 HA CYS 13 -3.517 -3.062 -0.136 95 HB2 CYS 13 2HB CYS 13 -5.640 -2.972 -2.075 96 HB3 CYS 13 1HB CYS 13 -5.766 -4.453 -1.132 97 H GLY 14 H GLY 14 -2.079 -4.641 0.336 98 HA2 GLY 14 2HA GLY 14 -2.658 -7.394 -0.234 99 HA3 GLY 14 1HA GLY 14 -1.312 -6.846 -1.236 100 H ARG 15 H ARG 15 -0.883 -8.823 0.712 101 HA ARG 15 HA ARG 15 -0.135 -8.082 3.296 102 HB2 ARG 15 2HB ARG 15 1.597 -9.905 3.049 103 HB3 ARG 15 1HB ARG 15 -0.013 -10.374 2.514 104 HG2 ARG 15 2HG ARG 15 0.574 -10.228 0.235 105 HG3 ARG 15 1HG ARG 15 2.000 -9.253 0.573 106 HD2 ARG 15 2HD ARG 15 3.037 -11.282 0.280 107 HD3 ARG 15 1HD ARG 15 2.657 -11.436 2.005 108 HE ARG 15 HE ARG 15 0.427 -12.474 1.157 109 HH11 ARG 15 1HH2 ARG 15 3.490 -12.724 -0.503 110 HH12 ARG 15 2HH2 ARG 15 3.052 -14.172 -1.337 111 HH21 ARG 15 1HH1 ARG 15 -0.117 -14.377 0.101 112 HH22 ARG 15 2HH1 ARG 15 1.007 -15.119 -0.986 113 H TRP 16 H TRP 16 1.646 -7.538 0.288 114 HA TRP 16 HA TRP 16 4.136 -6.622 1.249 115 HB2 TRP 16 2HB TRP 16 3.292 -7.021 -1.122 116 HB3 TRP 16 1HB TRP 16 2.511 -5.443 -1.027 117 HD1 TRP 16 HD TRP 16 5.935 -7.104 -1.051 118 HE1 TRP 16 1HE TRP 16 7.707 -5.367 -1.655 119 HE3 TRP 16 3HE TRP 16 3.063 -2.862 -0.967 120 HZ2 TRP 16 2HZ TRP 16 7.898 -2.527 -2.067 121 HZ3 TRP 16 3HZ TRP 16 4.085 -0.665 -1.482 122 HH2 TRP 16 HH TRP 16 6.488 -0.494 -2.033 123 H CYS 17 H CYS 17 1.352 -4.535 0.334 124 HA CYS 17 HA CYS 17 2.402 -2.192 1.633 125 HB2 CYS 17 2HB CYS 17 0.716 -2.089 -0.125 126 HB3 CYS 17 1HB CYS 17 -0.389 -3.047 0.842 127 H ARG 18 H ARG 18 -0.001 -4.645 2.651 128 HA ARG 18 HA ARG 18 -0.802 -3.675 5.153 129 HB2 ARG 18 2HB ARG 18 -0.538 -6.227 3.789 130 HB3 ARG 18 1HB ARG 18 -0.218 -6.418 5.510 131 HG2 ARG 18 2HG ARG 18 -2.350 -5.453 6.091 132 HG3 ARG 18 1HG ARG 18 -2.632 -4.953 4.424 133 HD2 ARG 18 2HD ARG 18 -3.926 -6.988 4.915 134 HD3 ARG 18 1HD ARG 18 -2.658 -7.360 3.734 135 HE ARG 18 HE ARG 18 -1.388 -7.847 6.117 136 HH11 ARG 18 1HH2 ARG 18 -4.466 -8.827 4.798 137 HH12 ARG 18 2HH2 ARG 18 -4.483 -10.334 5.643 138 HH21 ARG 18 1HH1 ARG 18 -1.444 -9.798 7.237 139 HH22 ARG 18 2HH1 ARG 18 -2.777 -10.879 7.034 140 H ASP 19 H ASP 19 2.259 -5.344 4.361 141 HA ASP 19 HA ASP 19 3.249 -4.969 7.140 142 HB2 ASP 19 2HB ASP 19 3.525 -6.874 5.077 143 HB3 ASP 19 1HB ASP 19 5.111 -6.112 5.239 144 H HIS 20 H HIS 20 4.059 -3.974 3.806 145 HA HIS 20 HA HIS 20 6.384 -2.407 4.720 146 HB2 HIS 20 2HB HIS 20 5.043 -2.856 2.039 147 HB3 HIS 20 1HB HIS 20 6.581 -2.026 2.251 148 HD1 HIS 20 1HD HIS 20 4.988 -5.441 2.772 149 HD2 HIS 20 2HD HIS 20 8.772 -3.742 2.507 150 HE1 HIS 20 1HE HIS 20 6.637 -7.364 2.717 151 H SER 21 H SER 21 2.989 -1.710 4.175 152 HA SER 21 HA SER 21 3.612 1.171 4.534 153 HB2 SER 21 2HB SER 21 3.003 -0.155 2.029 154 HB3 SER 21 1HB SER 21 1.793 1.067 2.387 155 HG SER 21 HG SER 21 4.476 1.740 2.819 156 H ARG 22 H ARG 22 2.175 1.840 6.105 157 HA ARG 22 HA ARG 22 -0.400 0.506 6.558 158 HB2 ARG 22 2HB ARG 22 1.306 2.577 7.765 159 HB3 ARG 22 1HB ARG 22 -0.403 2.995 7.837 160 HG2 ARG 22 2HG ARG 22 -0.391 1.714 9.715 161 HG3 ARG 22 1HG ARG 22 -0.501 0.373 8.575 162 HD2 ARG 22 2HD ARG 22 2.245 1.386 9.075 163 HD3 ARG 22 1HD ARG 22 1.471 0.562 10.444 164 HE ARG 22 HE ARG 22 0.865 -1.179 8.488 165 HH11 ARG 22 1HH2 ARG 22 3.829 0.594 9.016 166 HH12 ARG 22 2HH2 ARG 22 4.833 -0.662 8.365 167 HH21 ARG 22 1HH1 ARG 22 2.169 -2.796 7.645 168 HH22 ARG 22 2HH1 ARG 22 3.896 -2.587 7.611 169 H CYS 23 H CYS 23 -0.855 0.905 4.097 170 HA CYS 23 HA CYS 23 -2.270 3.542 3.761 171 HB2 CYS 23 2HB CYS 23 0.125 2.959 2.686 172 HB3 CYS 23 1HB CYS 23 -0.892 2.184 1.483 173 H CYS 24 H CYS 24 -3.019 0.500 4.232 174 HA CYS 24 HA CYS 24 -5.318 0.501 2.397 175 HB2 CYS 24 2HB CYS 24 -2.897 -0.627 1.562 176 HB3 CYS 24 1HB CYS 24 -3.879 -2.003 2.071 177 HN1 NH2 25 2H CYS 24 -6.742 -1.318 5.074 178 HN2 NH2 25 1H CYS 24 -6.882 -0.039 3.968 Start of MODEL 18 1 H1 VAL 1 1HT VAL 1 10.474 0.837 3.030 2 H2 VAL 1 2HT VAL 1 9.606 2.257 2.738 3 H3 VAL 1 3HT VAL 1 11.055 1.976 1.914 4 HA VAL 1 HA VAL 1 9.701 1.298 0.256 5 HB VAL 1 HB VAL 1 9.892 -0.973 2.260 6 HG11 VAL 1 2HG1 VAL 1 8.055 -1.637 0.879 7 HG12 VAL 1 3HG1 VAL 1 9.469 -2.468 0.230 8 HG13 VAL 1 1HG1 VAL 1 8.842 -1.032 -0.581 9 HG21 VAL 1 1HG2 VAL 1 11.575 -1.722 0.438 10 HG22 VAL 1 2HG2 VAL 1 12.042 -0.377 1.476 11 HG23 VAL 1 3HG2 VAL 1 11.453 -0.069 -0.158 12 H GLY 2 H GLY 2 7.488 0.425 -0.399 13 HA2 GLY 2 2HA GLY 2 5.208 -0.185 0.354 14 HA3 GLY 2 1HA GLY 2 5.422 0.892 1.708 15 H GLU 3 H GLU 3 6.730 2.832 -0.399 16 HA GLU 3 HA GLU 3 4.682 4.672 -0.720 17 HB2 GLU 3 2HB GLU 3 5.989 5.397 -2.790 18 HB3 GLU 3 1HB GLU 3 6.933 5.218 -1.315 19 HG2 GLU 3 2HG GLU 3 7.473 2.852 -2.075 20 HG3 GLU 3 1HG GLU 3 6.751 3.272 -3.628 21 H ARG 4 H ARG 4 5.362 1.970 -2.917 22 HA ARG 4 HA ARG 4 3.552 2.593 -4.983 23 HB2 ARG 4 2HB ARG 4 4.436 0.668 -5.755 24 HB3 ARG 4 1HB ARG 4 5.291 0.522 -4.227 25 HG2 ARG 4 2HG ARG 4 4.080 -1.286 -3.676 26 HG3 ARG 4 1HG ARG 4 2.572 -0.418 -3.915 27 HD2 ARG 4 2HD ARG 4 3.088 -0.788 -6.479 28 HD3 ARG 4 1HD ARG 4 4.111 -2.096 -5.875 29 HE ARG 4 HE ARG 4 1.163 -1.953 -5.618 30 HH11 ARG 4 1HH2 ARG 4 4.169 -3.456 -4.670 31 HH12 ARG 4 2HH2 ARG 4 3.425 -4.946 -4.217 32 HH21 ARG 4 1HH1 ARG 4 0.187 -3.876 -4.974 33 HH22 ARG 4 2HH1 ARG 4 1.157 -5.186 -4.375 34 H CYS 5 H CYS 5 2.876 1.341 -1.758 35 HA CYS 5 HA CYS 5 0.266 0.283 -2.304 36 HB2 CYS 5 2HB CYS 5 1.437 -0.264 -0.271 37 HB3 CYS 5 1HB CYS 5 1.580 1.439 0.171 38 H CYS 6 H CYS 6 0.979 3.344 -0.558 39 HA CYS 6 HA CYS 6 -1.601 4.474 -0.745 40 HB2 CYS 6 2HB CYS 6 0.923 5.152 0.219 41 HB3 CYS 6 1HB CYS 6 0.599 6.395 -0.985 42 H LYS 7 H LYS 7 0.994 4.382 -3.149 43 HA LYS 7 HA LYS 7 -0.181 6.348 -4.949 44 HB2 LYS 7 2HB LYS 7 2.154 4.573 -4.764 45 HB3 LYS 7 1HB LYS 7 1.549 4.742 -6.411 46 HG2 LYS 7 2HG LYS 7 1.780 7.234 -4.794 47 HG3 LYS 7 1HG LYS 7 3.282 6.490 -5.338 48 HD2 LYS 7 2HD LYS 7 0.945 7.144 -7.159 49 HD3 LYS 7 1HD LYS 7 2.360 8.173 -6.953 50 HE2 LYS 7 2HE LYS 7 2.599 5.264 -7.810 51 HE3 LYS 7 1HE LYS 7 2.449 6.596 -8.973 52 HZ1 LYS 7 3HZ LYS 7 4.359 7.670 -7.984 53 HZ2 LYS 7 1HZ LYS 7 4.784 6.091 -8.425 54 HZ3 LYS 7 2HZ LYS 7 4.484 6.462 -6.801 55 H ASN 8 H ASN 8 -0.042 2.798 -4.869 56 HA ASN 8 HA ASN 8 -1.579 2.477 -7.326 57 HB2 ASN 8 2HB ASN 8 -0.332 0.774 -5.233 58 HB3 ASN 8 1HB ASN 8 -1.579 0.053 -6.220 59 HD21 ASN 8 1HD2 ASN 8 1.682 1.122 -6.196 60 HD22 ASN 8 2HD2 ASN 8 2.029 0.721 -7.801 61 H GLY 9 H GLY 9 -2.391 2.581 -3.915 62 HA2 GLY 9 2HA GLY 9 -4.490 2.515 -2.857 63 HA3 GLY 9 1HA GLY 9 -5.193 2.906 -4.424 64 H LYS 10 H LYS 10 -6.207 1.304 -5.550 65 HA LYS 10 HA LYS 10 -6.961 -1.164 -4.343 66 HB2 LYS 10 2HB LYS 10 -6.933 -0.004 -7.116 67 HB3 LYS 10 1HB LYS 10 -7.366 -1.703 -6.911 68 HG2 LYS 10 2HG LYS 10 -9.308 -1.213 -5.745 69 HG3 LYS 10 1HG LYS 10 -8.668 0.305 -5.116 70 HD2 LYS 10 2HD LYS 10 -9.795 1.379 -6.739 71 HD3 LYS 10 1HD LYS 10 -8.703 0.629 -7.903 72 HE2 LYS 10 2HE LYS 10 -11.232 -0.729 -6.885 73 HE3 LYS 10 1HE LYS 10 -11.153 0.191 -8.398 74 HZ1 LYS 10 3HZ LYS 10 -10.659 -2.045 -8.955 75 HZ2 LYS 10 1HZ LYS 10 -9.588 -2.219 -7.662 76 HZ3 LYS 10 2HZ LYS 10 -9.171 -1.224 -8.974 77 H ARG 11 H ARG 11 -4.241 -0.312 -6.439 78 HA ARG 11 HA ARG 11 -3.307 -3.116 -6.629 79 HB2 ARG 11 2HB ARG 11 -2.339 -0.427 -7.613 80 HB3 ARG 11 1HB ARG 11 -1.427 -1.913 -7.872 81 HG2 ARG 11 2HG ARG 11 -3.386 -2.895 -9.015 82 HG3 ARG 11 1HG ARG 11 -4.276 -1.392 -8.764 83 HD2 ARG 11 2HD ARG 11 -3.447 -0.864 -10.840 84 HD3 ARG 11 1HD ARG 11 -1.987 -0.441 -9.930 85 HE ARG 11 HE ARG 11 -2.458 -3.010 -11.366 86 HH11 ARG 11 1HH2 ARG 11 -0.344 -0.921 -9.515 87 HH12 ARG 11 2HH2 ARG 11 1.074 -1.819 -9.922 88 HH21 ARG 11 1HH1 ARG 11 -0.610 -4.147 -11.877 89 HH22 ARG 11 2HH1 ARG 11 0.919 -3.660 -11.244 90 H GLY 12 H GLY 12 -3.153 -0.752 -4.303 91 HA2 GLY 12 2HA GLY 12 -0.415 -1.468 -3.398 92 HA3 GLY 12 1HA GLY 12 -1.353 -0.088 -2.823 93 H CYS 13 H CYS 13 -3.770 -1.201 -2.179 94 HA CYS 13 HA CYS 13 -3.393 -2.324 0.391 95 HB2 CYS 13 2HB CYS 13 -5.579 -2.000 -1.595 96 HB3 CYS 13 1HB CYS 13 -5.852 -3.241 -0.372 97 H GLY 14 H GLY 14 -2.675 -4.338 0.972 98 HA2 GLY 14 2HA GLY 14 -3.548 -6.807 0.196 99 HA3 GLY 14 1HA GLY 14 -2.364 -6.430 -1.056 100 H ARG 15 H ARG 15 -1.663 -8.541 0.281 101 HA ARG 15 HA ARG 15 -0.452 -8.515 2.779 102 HB2 ARG 15 2HB ARG 15 1.157 -10.192 1.669 103 HB3 ARG 15 1HB ARG 15 -0.563 -10.544 1.556 104 HG2 ARG 15 2HG ARG 15 -0.589 -10.268 -0.708 105 HG3 ARG 15 1HG ARG 15 0.500 -8.888 -0.651 106 HD2 ARG 15 2HD ARG 15 1.638 -10.742 -1.777 107 HD3 ARG 15 1HD ARG 15 2.406 -10.484 -0.201 108 HE ARG 15 HE ARG 15 0.363 -12.607 -0.763 109 HH11 ARG 15 1HH2 ARG 15 3.050 -11.364 1.094 110 HH12 ARG 15 2HH2 ARG 15 3.195 -12.794 2.049 111 HH21 ARG 15 1HH1 ARG 15 0.524 -14.431 0.515 112 HH22 ARG 15 2HH1 ARG 15 1.750 -14.540 1.733 113 H TRP 16 H TRP 16 1.041 -7.304 -0.252 114 HA TRP 16 HA TRP 16 3.638 -6.760 0.849 115 HB2 TRP 16 2HB TRP 16 2.931 -6.871 -1.568 116 HB3 TRP 16 1HB TRP 16 2.160 -5.296 -1.358 117 HD1 TRP 16 HD TRP 16 5.578 -6.988 -1.374 118 HE1 TRP 16 1HE TRP 16 7.390 -5.224 -1.695 119 HE3 TRP 16 3HE TRP 16 2.744 -2.759 -1.025 120 HZ2 TRP 16 2HZ TRP 16 7.623 -2.367 -1.823 121 HZ3 TRP 16 3HZ TRP 16 3.791 -0.533 -1.252 122 HH2 TRP 16 HH TRP 16 6.225 -0.329 -1.650 123 H CYS 17 H CYS 17 1.022 -4.424 0.078 124 HA CYS 17 HA CYS 17 2.155 -2.214 1.458 125 HB2 CYS 17 2HB CYS 17 0.319 -1.990 -0.080 126 HB3 CYS 17 1HB CYS 17 -0.701 -3.022 0.904 127 H ARG 18 H ARG 18 -0.045 -4.751 2.653 128 HA ARG 18 HA ARG 18 -0.528 -3.699 5.245 129 HB2 ARG 18 2HB ARG 18 -1.165 -5.963 3.855 130 HB3 ARG 18 1HB ARG 18 -0.054 -6.614 5.061 131 HG2 ARG 18 2HG ARG 18 -1.359 -5.556 6.856 132 HG3 ARG 18 1HG ARG 18 -2.470 -4.879 5.665 133 HD2 ARG 18 2HD ARG 18 -1.980 -7.855 5.746 134 HD3 ARG 18 1HD ARG 18 -3.152 -7.106 6.845 135 HE ARG 18 HE ARG 18 -3.433 -7.359 3.949 136 HH11 ARG 18 1HH2 ARG 18 -4.281 -5.512 6.776 137 HH12 ARG 18 2HH2 ARG 18 -5.757 -4.928 6.103 138 HH21 ARG 18 1HH1 ARG 18 -5.361 -6.570 3.070 139 HH22 ARG 18 2HH1 ARG 18 -6.370 -5.525 4.010 140 H ASP 19 H ASP 19 2.218 -5.713 4.122 141 HA ASP 19 HA ASP 19 3.486 -5.453 6.801 142 HB2 ASP 19 2HB ASP 19 3.246 -7.526 5.115 143 HB3 ASP 19 1HB ASP 19 4.778 -6.868 4.528 144 H HIS 20 H HIS 20 3.808 -4.149 3.565 145 HA HIS 20 HA HIS 20 6.485 -2.983 4.260 146 HB2 HIS 20 2HB HIS 20 5.027 -3.369 1.623 147 HB3 HIS 20 1HB HIS 20 6.651 -2.711 1.786 148 HD1 HIS 20 1HD HIS 20 4.697 -5.907 2.419 149 HD2 HIS 20 2HD HIS 20 8.652 -4.653 2.031 150 HE1 HIS 20 1HE HIS 20 6.109 -8.007 2.296 151 H SER 21 H SER 21 3.187 -2.046 4.084 152 HA SER 21 HA SER 21 4.030 0.793 3.599 153 HB2 SER 21 2HB SER 21 1.614 -0.737 2.621 154 HB3 SER 21 1HB SER 21 1.853 0.978 2.374 155 HG SER 21 HG SER 21 3.800 -0.913 1.561 156 H ARG 22 H ARG 22 2.411 2.371 4.404 157 HA ARG 22 HA ARG 22 0.782 1.392 6.733 158 HB2 ARG 22 2HB ARG 22 2.482 3.914 6.519 159 HB3 ARG 22 1HB ARG 22 1.546 3.418 7.931 160 HG2 ARG 22 2HG ARG 22 3.195 1.208 7.181 161 HG3 ARG 22 1HG ARG 22 4.219 2.645 7.200 162 HD2 ARG 22 2HD ARG 22 4.066 1.467 9.445 163 HD3 ARG 22 1HD ARG 22 3.537 3.157 9.496 164 HE ARG 22 HE ARG 22 1.315 2.423 9.826 165 HH11 ARG 22 1HH2 ARG 22 3.335 -0.181 8.697 166 HH12 ARG 22 2HH2 ARG 22 2.158 -1.399 9.023 167 HH21 ARG 22 1HH1 ARG 22 -0.228 0.828 10.227 168 HH22 ARG 22 2HH1 ARG 22 0.134 -0.828 9.893 169 H CYS 23 H CYS 23 -0.327 1.684 4.222 170 HA CYS 23 HA CYS 23 -2.129 4.012 4.567 171 HB2 CYS 23 2HB CYS 23 -0.275 4.927 3.306 172 HB3 CYS 23 1HB CYS 23 -0.239 3.525 2.238 173 H CYS 24 H CYS 24 -3.134 1.610 4.980 174 HA CYS 24 HA CYS 24 -5.062 1.143 2.908 175 HB2 CYS 24 2HB CYS 24 -2.445 -0.049 2.593 176 HB3 CYS 24 1HB CYS 24 -3.663 -1.312 2.747 177 HN1 NH2 25 2H CYS 24 -5.646 -0.189 6.416 178 HN2 NH2 25 1H CYS 24 -5.128 1.310 5.812 Start of MODEL 19 1 H1 VAL 1 1HT VAL 1 8.935 3.223 2.760 2 H2 VAL 1 2HT VAL 1 10.528 2.752 2.418 3 H3 VAL 1 3HT VAL 1 9.669 2.013 3.682 4 HA VAL 1 HA VAL 1 9.429 1.601 0.777 5 HB VAL 1 HB VAL 1 10.700 0.179 2.518 6 HG11 VAL 1 2HG1 VAL 1 9.113 -1.502 3.653 7 HG12 VAL 1 3HG1 VAL 1 7.835 -0.325 3.350 8 HG13 VAL 1 1HG1 VAL 1 9.212 0.112 4.367 9 HG21 VAL 1 1HG2 VAL 1 8.748 -1.695 1.378 10 HG22 VAL 1 2HG2 VAL 1 10.473 -1.526 1.050 11 HG23 VAL 1 3HG2 VAL 1 9.316 -0.496 0.211 12 H GLY 2 H GLY 2 7.457 0.524 0.021 13 HA2 GLY 2 2HA GLY 2 5.160 -0.198 0.430 14 HA3 GLY 2 1HA GLY 2 5.060 0.969 1.722 15 H GLU 3 H GLU 3 6.639 2.488 -0.817 16 HA GLU 3 HA GLU 3 4.629 4.375 -1.342 17 HB2 GLU 3 2HB GLU 3 5.986 4.884 -3.355 18 HB3 GLU 3 1HB GLU 3 7.013 4.587 -1.955 19 HG2 GLU 3 2HG GLU 3 7.181 2.163 -2.748 20 HG3 GLU 3 1HG GLU 3 6.434 2.697 -4.252 21 H ARG 4 H ARG 4 5.261 1.310 -3.000 22 HA ARG 4 HA ARG 4 3.490 1.497 -5.168 23 HB2 ARG 4 2HB ARG 4 4.367 -0.563 -5.433 24 HB3 ARG 4 1HB ARG 4 5.052 -0.458 -3.817 25 HG2 ARG 4 2HG ARG 4 3.764 -2.386 -3.662 26 HG3 ARG 4 1HG ARG 4 2.638 -1.179 -3.046 27 HD2 ARG 4 2HD ARG 4 1.772 -0.949 -5.452 28 HD3 ARG 4 1HD ARG 4 2.703 -2.415 -5.820 29 HE ARG 4 HE ARG 4 0.995 -2.649 -3.437 30 HH11 ARG 4 1HH2 ARG 4 1.198 -3.006 -6.909 31 HH12 ARG 4 2HH2 ARG 4 -0.043 -4.203 -6.971 32 HH21 ARG 4 1HH1 ARG 4 -0.632 -4.205 -3.552 33 HH22 ARG 4 2HH1 ARG 4 -1.084 -4.875 -5.083 34 H CYS 5 H CYS 5 2.751 0.873 -1.763 35 HA CYS 5 HA CYS 5 0.020 0.055 -2.258 36 HB2 CYS 5 2HB CYS 5 1.447 -0.399 -0.209 37 HB3 CYS 5 1HB CYS 5 1.163 1.280 0.258 38 H CYS 6 H CYS 6 1.443 3.161 -1.104 39 HA CYS 6 HA CYS 6 -1.086 4.573 -1.189 40 HB2 CYS 6 2HB CYS 6 1.607 5.009 -0.379 41 HB3 CYS 6 1HB CYS 6 1.203 6.294 -1.512 42 H LYS 7 H LYS 7 1.581 4.122 -3.506 43 HA LYS 7 HA LYS 7 0.862 6.028 -5.481 44 HB2 LYS 7 2HB LYS 7 2.182 3.314 -5.502 45 HB3 LYS 7 1HB LYS 7 1.936 4.200 -7.006 46 HG2 LYS 7 2HG LYS 7 2.989 6.158 -5.421 47 HG3 LYS 7 1HG LYS 7 3.821 4.737 -4.795 48 HD2 LYS 7 2HD LYS 7 3.647 5.358 -7.755 49 HD3 LYS 7 1HD LYS 7 4.977 5.917 -6.740 50 HE2 LYS 7 2HE LYS 7 4.555 3.113 -6.228 51 HE3 LYS 7 1HE LYS 7 4.705 3.367 -7.975 52 HZ1 LYS 7 3HZ LYS 7 6.897 3.189 -7.110 53 HZ2 LYS 7 1HZ LYS 7 6.585 4.281 -5.856 54 HZ3 LYS 7 2HZ LYS 7 6.655 4.828 -7.465 55 H ASN 8 H ASN 8 -0.218 2.684 -5.048 56 HA ASN 8 HA ASN 8 -2.139 2.944 -7.296 57 HB2 ASN 8 2HB ASN 8 -0.763 0.829 -5.768 58 HB3 ASN 8 1HB ASN 8 -2.405 0.440 -6.244 59 HD21 ASN 8 1HD2 ASN 8 0.788 0.560 -7.350 60 HD22 ASN 8 2HD2 ASN 8 0.456 0.359 -8.999 61 H GLY 9 H GLY 9 -2.109 2.993 -3.820 62 HA2 GLY 9 2HA GLY 9 -3.840 3.331 -2.283 63 HA3 GLY 9 1HA GLY 9 -4.865 3.770 -3.649 64 H LYS 10 H LYS 10 -6.516 2.365 -4.091 65 HA LYS 10 HA LYS 10 -6.984 -0.012 -2.581 66 HB2 LYS 10 2HB LYS 10 -8.059 1.301 -5.043 67 HB3 LYS 10 1HB LYS 10 -8.518 -0.379 -4.757 68 HG2 LYS 10 2HG LYS 10 -10.139 0.508 -3.452 69 HG3 LYS 10 1HG LYS 10 -8.849 0.695 -2.267 70 HD2 LYS 10 2HD LYS 10 -8.396 2.969 -3.464 71 HD3 LYS 10 1HD LYS 10 -10.020 2.767 -4.116 72 HE2 LYS 10 2HE LYS 10 -10.274 4.037 -2.094 73 HE3 LYS 10 1HE LYS 10 -10.789 2.387 -1.692 74 HZ1 LYS 10 3HZ LYS 10 -7.939 2.870 -1.455 75 HZ2 LYS 10 1HZ LYS 10 -8.992 2.056 -0.399 76 HZ3 LYS 10 2HZ LYS 10 -8.892 3.745 -0.363 77 H ARG 11 H ARG 11 -5.234 0.539 -5.577 78 HA ARG 11 HA ARG 11 -4.955 -2.331 -6.189 79 HB2 ARG 11 2HB ARG 11 -3.769 0.225 -7.313 80 HB3 ARG 11 1HB ARG 11 -3.384 -1.374 -7.940 81 HG2 ARG 11 2HG ARG 11 -5.958 -1.676 -8.140 82 HG3 ARG 11 1HG ARG 11 -6.014 0.084 -8.016 83 HD2 ARG 11 2HD ARG 11 -5.888 -0.559 -10.384 84 HD3 ARG 11 1HD ARG 11 -4.369 0.220 -9.902 85 HE ARG 11 HE ARG 11 -4.673 -2.765 -9.856 86 HH11 ARG 11 1HH2 ARG 11 -2.891 0.128 -10.698 87 HH12 ARG 11 2HH2 ARG 11 -1.539 -0.750 -11.300 88 HH21 ARG 11 1HH1 ARG 11 -2.876 -3.878 -10.636 89 HH22 ARG 11 2HH1 ARG 11 -1.515 -3.002 -11.257 90 H GLY 12 H GLY 12 -3.410 -0.031 -4.212 91 HA2 GLY 12 2HA GLY 12 -0.745 -1.204 -4.306 92 HA3 GLY 12 1HA GLY 12 -1.296 0.047 -3.195 93 H CYS 13 H CYS 13 -3.652 -1.687 -2.408 94 HA CYS 13 HA CYS 13 -2.664 -2.822 -0.038 95 HB2 CYS 13 2HB CYS 13 -5.095 -2.966 -1.714 96 HB3 CYS 13 1HB CYS 13 -4.881 -4.339 -0.628 97 H GLY 14 H GLY 14 -2.443 -5.125 0.564 98 HA2 GLY 14 2HA GLY 14 -2.400 -7.446 -0.759 99 HA3 GLY 14 1HA GLY 14 -1.018 -6.658 -1.531 100 H ARG 15 H ARG 15 -0.734 -9.015 0.074 101 HA ARG 15 HA ARG 15 -0.122 -8.749 2.778 102 HB2 ARG 15 2HB ARG 15 0.002 -10.849 1.563 103 HB3 ARG 15 1HB ARG 15 1.288 -10.228 0.529 104 HG2 ARG 15 2HG ARG 15 2.329 -11.626 2.177 105 HG3 ARG 15 1HG ARG 15 2.700 -9.959 2.611 106 HD2 ARG 15 2HD ARG 15 2.020 -11.039 4.657 107 HD3 ARG 15 1HD ARG 15 0.634 -10.064 4.144 108 HE ARG 15 HE ARG 15 -0.528 -12.061 3.533 109 HH11 ARG 15 1HH2 ARG 15 2.822 -12.670 4.255 110 HH12 ARG 15 2HH2 ARG 15 2.618 -14.380 4.349 111 HH21 ARG 15 1HH1 ARG 15 -0.797 -14.297 3.681 112 HH22 ARG 15 2HH1 ARG 15 0.574 -15.308 4.019 113 H TRP 16 H TRP 16 1.952 -7.813 0.013 114 HA TRP 16 HA TRP 16 4.256 -7.038 1.527 115 HB2 TRP 16 2HB TRP 16 4.079 -7.340 -0.955 116 HB3 TRP 16 1HB TRP 16 3.145 -5.842 -1.025 117 HD1 TRP 16 HD TRP 16 6.633 -7.150 -0.140 118 HE1 TRP 16 1HE TRP 16 8.301 -5.230 -0.306 119 HE3 TRP 16 3HE TRP 16 3.432 -3.262 -0.991 120 HZ2 TRP 16 2HZ TRP 16 8.310 -2.414 -0.756 121 HZ3 TRP 16 3HZ TRP 16 4.315 -0.981 -1.292 122 HH2 TRP 16 HH TRP 16 6.742 -0.554 -1.184 123 H CYS 17 H CYS 17 1.745 -4.879 0.101 124 HA CYS 17 HA CYS 17 2.478 -2.531 1.512 125 HB2 CYS 17 2HB CYS 17 0.929 -2.253 -0.236 126 HB3 CYS 17 1HB CYS 17 -0.060 -3.601 0.299 127 H ARG 18 H ARG 18 0.102 -5.036 2.345 128 HA ARG 18 HA ARG 18 -0.974 -4.136 4.730 129 HB2 ARG 18 2HB ARG 18 -0.031 -6.788 3.692 130 HB3 ARG 18 1HB ARG 18 -0.595 -6.705 5.355 131 HG2 ARG 18 2HG ARG 18 -2.749 -5.839 4.643 132 HG3 ARG 18 1HG ARG 18 -2.183 -5.695 2.977 133 HD2 ARG 18 2HD ARG 18 -3.604 -7.779 3.520 134 HD3 ARG 18 1HD ARG 18 -2.055 -8.085 2.719 135 HE ARG 18 HE ARG 18 -1.156 -8.892 4.795 136 HH11 ARG 18 1HH2 ARG 18 -4.383 -7.602 5.121 137 HH12 ARG 18 2HH2 ARG 18 -4.627 -8.280 6.691 138 HH21 ARG 18 1HH1 ARG 18 -1.489 -9.774 6.858 139 HH22 ARG 18 2HH1 ARG 18 -2.996 -9.523 7.668 140 H ASP 19 H ASP 19 2.227 -5.732 4.378 141 HA ASP 19 HA ASP 19 2.890 -5.109 7.218 142 HB2 ASP 19 2HB ASP 19 3.264 -7.295 5.705 143 HB3 ASP 19 1HB ASP 19 4.758 -6.452 5.311 144 H HIS 20 H HIS 20 3.900 -4.245 3.935 145 HA HIS 20 HA HIS 20 6.177 -2.608 4.935 146 HB2 HIS 20 2HB HIS 20 5.204 -3.383 2.163 147 HB3 HIS 20 1HB HIS 20 6.716 -2.550 2.502 148 HD1 HIS 20 1HD HIS 20 4.972 -5.853 3.306 149 HD2 HIS 20 2HD HIS 20 8.813 -4.258 3.099 150 HE1 HIS 20 1HE HIS 20 6.572 -7.789 3.639 151 H SER 21 H SER 21 2.884 -1.987 4.180 152 HA SER 21 HA SER 21 3.588 0.853 3.520 153 HB2 SER 21 2HB SER 21 1.450 -0.939 2.358 154 HB3 SER 21 1HB SER 21 1.665 0.749 1.953 155 HG SER 21 HG SER 21 3.824 -1.047 1.694 156 H ARG 22 H ARG 22 2.534 2.321 4.820 157 HA ARG 22 HA ARG 22 0.254 1.367 6.514 158 HB2 ARG 22 2HB ARG 22 1.930 3.910 6.577 159 HB3 ARG 22 1HB ARG 22 0.768 3.420 7.806 160 HG2 ARG 22 2HG ARG 22 3.292 1.902 7.057 161 HG3 ARG 22 1HG ARG 22 3.074 2.879 8.510 162 HD2 ARG 22 2HD ARG 22 1.386 0.447 7.799 163 HD3 ARG 22 1HD ARG 22 2.703 0.455 8.987 164 HE ARG 22 HE ARG 22 0.079 1.794 9.285 165 HH11 ARG 22 1HH2 ARG 22 3.358 1.413 10.404 166 HH12 ARG 22 2HH2 ARG 22 3.013 1.989 11.995 167 HH21 ARG 22 1HH1 ARG 22 -0.369 2.516 11.394 168 HH22 ARG 22 2HH1 ARG 22 0.914 2.628 12.551 169 H CYS 23 H CYS 23 -0.214 1.699 3.748 170 HA CYS 23 HA CYS 23 -2.031 4.078 3.705 171 HB2 CYS 23 2HB CYS 23 0.203 4.348 2.493 172 HB3 CYS 23 1HB CYS 23 -0.313 3.058 1.415 173 H CYS 24 H CYS 24 -2.982 1.572 4.404 174 HA CYS 24 HA CYS 24 -4.857 0.969 2.251 175 HB2 CYS 24 2HB CYS 24 -2.314 -0.312 2.305 176 HB3 CYS 24 1HB CYS 24 -3.509 -1.522 2.769 177 HN1 NH2 25 2H CYS 24 -6.753 -0.587 4.802 178 HN2 NH2 25 1H CYS 24 -6.707 -0.010 3.210 Start of MODEL 20 1 H1 VAL 1 1HT VAL 1 8.929 1.437 3.546 2 H2 VAL 1 2HT VAL 1 9.210 2.652 2.401 3 H3 VAL 1 3HT VAL 1 10.512 1.805 3.071 4 HA VAL 1 HA VAL 1 9.893 1.114 0.756 5 HB VAL 1 HB VAL 1 11.270 -0.257 2.227 6 HG11 VAL 1 2HG1 VAL 1 10.289 -0.484 4.305 7 HG12 VAL 1 3HG1 VAL 1 9.783 -2.030 3.615 8 HG13 VAL 1 1HG1 VAL 1 8.668 -0.662 3.626 9 HG21 VAL 1 1HG2 VAL 1 9.894 -1.266 0.162 10 HG22 VAL 1 2HG2 VAL 1 9.207 -2.276 1.437 11 HG23 VAL 1 3HG2 VAL 1 10.948 -2.272 1.151 12 H GLY 2 H GLY 2 7.639 2.127 0.472 13 HA2 GLY 2 2HA GLY 2 5.690 0.000 0.102 14 HA3 GLY 2 1HA GLY 2 5.235 1.108 1.380 15 H GLU 3 H GLU 3 6.942 1.925 -1.612 16 HA GLU 3 HA GLU 3 5.281 4.196 -2.155 17 HB2 GLU 3 2HB GLU 3 6.529 4.164 -4.344 18 HB3 GLU 3 1HB GLU 3 7.574 4.070 -2.926 19 HG2 GLU 3 2HG GLU 3 7.177 1.431 -3.349 20 HG3 GLU 3 1HG GLU 3 6.996 2.014 -5.002 21 H ARG 4 H ARG 4 5.307 0.929 -3.582 22 HA ARG 4 HA ARG 4 3.316 1.455 -5.563 23 HB2 ARG 4 2HB ARG 4 3.564 -0.793 -6.038 24 HB3 ARG 4 1HB ARG 4 5.053 -0.490 -5.162 25 HG2 ARG 4 2HG ARG 4 4.403 -2.268 -3.914 26 HG3 ARG 4 1HG ARG 4 3.366 -1.097 -3.108 27 HD2 ARG 4 2HD ARG 4 1.874 -2.855 -3.710 28 HD3 ARG 4 1HD ARG 4 1.643 -1.652 -4.990 29 HE ARG 4 HE ARG 4 3.790 -3.556 -5.575 30 HH11 ARG 4 1HH2 ARG 4 0.355 -2.958 -5.708 31 HH12 ARG 4 2HH2 ARG 4 0.117 -3.959 -7.092 32 HH21 ARG 4 1HH1 ARG 4 3.453 -4.883 -7.392 33 HH22 ARG 4 2HH1 ARG 4 1.857 -5.048 -8.047 34 H CYS 5 H CYS 5 2.888 1.334 -2.169 35 HA CYS 5 HA CYS 5 0.233 0.077 -2.336 36 HB2 CYS 5 2HB CYS 5 1.622 -0.404 -0.415 37 HB3 CYS 5 1HB CYS 5 1.802 1.313 -0.061 38 H CYS 6 H CYS 6 0.959 3.068 -0.527 39 HA CYS 6 HA CYS 6 -1.585 4.218 -0.822 40 HB2 CYS 6 2HB CYS 6 0.959 4.884 0.233 41 HB3 CYS 6 1HB CYS 6 0.470 6.249 -0.773 42 H LYS 7 H LYS 7 1.244 4.597 -2.981 43 HA LYS 7 HA LYS 7 0.192 6.624 -4.690 44 HB2 LYS 7 2HB LYS 7 2.165 4.372 -4.954 45 HB3 LYS 7 1HB LYS 7 1.761 5.351 -6.361 46 HG2 LYS 7 2HG LYS 7 2.436 6.799 -3.829 47 HG3 LYS 7 1HG LYS 7 3.759 6.036 -4.714 48 HD2 LYS 7 2HD LYS 7 1.742 7.902 -6.007 49 HD3 LYS 7 1HD LYS 7 3.307 8.435 -5.388 50 HE2 LYS 7 2HE LYS 7 3.215 6.104 -7.307 51 HE3 LYS 7 1HE LYS 7 3.111 7.763 -7.936 52 HZ1 LYS 7 3HZ LYS 7 5.426 6.913 -7.669 53 HZ2 LYS 7 1HZ LYS 7 5.176 6.861 -5.995 54 HZ3 LYS 7 2HZ LYS 7 5.112 8.344 -6.817 55 H ASN 8 H ASN 8 -0.440 3.181 -4.558 56 HA ASN 8 HA ASN 8 -1.960 3.308 -7.115 57 HB2 ASN 8 2HB ASN 8 -0.457 1.317 -5.540 58 HB3 ASN 8 1HB ASN 8 -1.897 0.695 -6.323 59 HD21 ASN 8 1HD2 ASN 8 1.354 1.325 -6.843 60 HD22 ASN 8 2HD2 ASN 8 1.331 1.333 -8.534 61 H GLY 9 H GLY 9 -2.450 3.012 -3.669 62 HA2 GLY 9 2HA GLY 9 -4.439 2.883 -2.420 63 HA3 GLY 9 1HA GLY 9 -5.287 3.368 -3.885 64 H LYS 10 H LYS 10 -6.583 1.845 -4.818 65 HA LYS 10 HA LYS 10 -7.046 -0.722 -3.680 66 HB2 LYS 10 2HB LYS 10 -7.656 0.649 -6.293 67 HB3 LYS 10 1HB LYS 10 -8.043 -1.063 -6.117 68 HG2 LYS 10 2HG LYS 10 -8.979 0.022 -3.749 69 HG3 LYS 10 1HG LYS 10 -9.356 1.280 -4.928 70 HD2 LYS 10 2HD LYS 10 -10.582 -0.295 -6.303 71 HD3 LYS 10 1HD LYS 10 -10.050 -1.650 -5.313 72 HE2 LYS 10 2HE LYS 10 -12.267 -1.196 -4.560 73 HE3 LYS 10 1HE LYS 10 -11.222 -0.424 -3.352 74 HZ1 LYS 10 3HZ LYS 10 -11.361 1.561 -5.034 75 HZ2 LYS 10 1HZ LYS 10 -12.579 1.316 -3.894 76 HZ3 LYS 10 2HZ LYS 10 -12.813 0.804 -5.495 77 H ARG 11 H ARG 11 -4.796 0.338 -6.169 78 HA ARG 11 HA ARG 11 -4.013 -2.388 -6.939 79 HB2 ARG 11 2HB ARG 11 -2.996 0.407 -7.546 80 HB3 ARG 11 1HB ARG 11 -2.289 -1.044 -8.253 81 HG2 ARG 11 2HG ARG 11 -5.247 -0.715 -8.448 82 HG3 ARG 11 1HG ARG 11 -4.234 0.300 -9.475 83 HD2 ARG 11 2HD ARG 11 -4.269 -1.511 -10.881 84 HD3 ARG 11 1HD ARG 11 -3.028 -2.139 -9.781 85 HE ARG 11 HE ARG 11 -5.899 -2.615 -9.118 86 HH11 ARG 11 1HH2 ARG 11 -2.771 -3.820 -10.075 87 HH12 ARG 11 2HH2 ARG 11 -3.151 -5.460 -9.694 88 HH21 ARG 11 1HH1 ARG 11 -6.398 -4.769 -8.626 89 HH22 ARG 11 2HH1 ARG 11 -5.215 -6.007 -8.885 90 H GLY 12 H GLY 12 -3.194 -0.156 -4.492 91 HA2 GLY 12 2HA GLY 12 -0.490 -1.244 -4.065 92 HA3 GLY 12 1HA GLY 12 -1.231 0.082 -3.167 93 H CYS 13 H CYS 13 -3.685 -1.242 -2.511 94 HA CYS 13 HA CYS 13 -3.146 -2.426 -0.051 95 HB2 CYS 13 2HB CYS 13 -5.359 -2.078 -1.839 96 HB3 CYS 13 1HB CYS 13 -5.426 -3.709 -1.178 97 H GLY 14 H GLY 14 -2.316 -4.383 0.573 98 HA2 GLY 14 2HA GLY 14 -2.756 -6.914 -0.480 99 HA3 GLY 14 1HA GLY 14 -1.380 -6.303 -1.396 100 H ARG 15 H ARG 15 -1.299 -8.515 0.513 101 HA ARG 15 HA ARG 15 -0.507 -8.029 3.113 102 HB2 ARG 15 2HB ARG 15 1.133 -9.971 2.711 103 HB3 ARG 15 1HB ARG 15 -0.568 -10.262 2.362 104 HG2 ARG 15 2HG ARG 15 -0.208 -10.052 -0.005 105 HG3 ARG 15 1HG ARG 15 1.412 -9.399 0.241 106 HD2 ARG 15 2HD ARG 15 0.655 -12.181 1.186 107 HD3 ARG 15 1HD ARG 15 1.321 -11.868 -0.426 108 HE ARG 15 HE ARG 15 3.362 -11.046 0.591 109 HH11 ARG 15 1HH2 ARG 15 1.017 -12.198 2.905 110 HH12 ARG 15 2HH2 ARG 15 2.172 -12.336 4.179 111 HH21 ARG 15 1HH1 ARG 15 4.849 -11.265 2.273 112 HH22 ARG 15 2HH1 ARG 15 4.326 -11.822 3.823 113 H TRP 16 H TRP 16 1.607 -7.570 0.239 114 HA TRP 16 HA TRP 16 4.009 -6.878 1.645 115 HB2 TRP 16 2HB TRP 16 3.742 -7.262 -0.831 116 HB3 TRP 16 1HB TRP 16 2.933 -5.691 -0.937 117 HD1 TRP 16 HD TRP 16 6.309 -7.263 -0.051 118 HE1 TRP 16 1HE TRP 16 8.138 -5.489 -0.247 119 HE3 TRP 16 3HE TRP 16 3.432 -3.145 -0.989 120 HZ2 TRP 16 2HZ TRP 16 8.363 -2.665 -0.738 121 HZ3 TRP 16 3HZ TRP 16 4.498 -0.936 -1.311 122 HH2 TRP 16 HH TRP 16 6.953 -0.698 -1.197 123 H CYS 17 H CYS 17 1.600 -4.635 0.200 124 HA CYS 17 HA CYS 17 2.529 -2.288 1.525 125 HB2 CYS 17 2HB CYS 17 1.007 -1.932 -0.230 126 HB3 CYS 17 1HB CYS 17 -0.070 -3.201 0.316 127 H ARG 18 H ARG 18 -0.017 -4.621 2.425 128 HA ARG 18 HA ARG 18 -1.013 -3.525 4.777 129 HB2 ARG 18 2HB ARG 18 -0.241 -6.353 4.025 130 HB3 ARG 18 1HB ARG 18 -1.066 -5.991 5.537 131 HG2 ARG 18 2HG ARG 18 -2.759 -4.697 4.010 132 HG3 ARG 18 1HG ARG 18 -2.075 -5.692 2.723 133 HD2 ARG 18 2HD ARG 18 -3.897 -6.985 3.538 134 HD3 ARG 18 1HD ARG 18 -2.488 -7.694 4.340 135 HE ARG 18 HE ARG 18 -3.009 -6.347 6.335 136 HH11 ARG 18 1HH2 ARG 18 -5.467 -6.486 3.844 137 HH12 ARG 18 2HH2 ARG 18 -6.724 -5.943 4.888 138 HH21 ARG 18 1HH1 ARG 18 -4.678 -5.614 7.676 139 HH22 ARG 18 2HH1 ARG 18 -6.286 -5.467 7.057 140 H ASP 19 H ASP 19 2.026 -5.405 4.495 141 HA ASP 19 HA ASP 19 2.731 -4.750 7.307 142 HB2 ASP 19 2HB ASP 19 3.020 -6.945 5.604 143 HB3 ASP 19 1HB ASP 19 4.654 -6.283 5.731 144 H HIS 20 H HIS 20 3.824 -4.034 4.004 145 HA HIS 20 HA HIS 20 6.228 -2.593 5.007 146 HB2 HIS 20 2HB HIS 20 5.165 -3.241 2.235 147 HB3 HIS 20 1HB HIS 20 6.734 -2.524 2.562 148 HD1 HIS 20 1HD HIS 20 4.792 -5.732 3.186 149 HD2 HIS 20 2HD HIS 20 8.724 -4.363 3.231 150 HE1 HIS 20 1HE HIS 20 6.265 -7.777 3.472 151 H SER 21 H SER 21 2.995 -1.835 4.022 152 HA SER 21 HA SER 21 3.768 1.041 3.633 153 HB2 SER 21 2HB SER 21 1.730 -0.708 2.243 154 HB3 SER 21 1HB SER 21 1.901 1.010 1.958 155 HG SER 21 HG SER 21 4.082 -0.783 1.688 156 H ARG 22 H ARG 22 2.835 2.234 5.287 157 HA ARG 22 HA ARG 22 0.519 1.251 6.794 158 HB2 ARG 22 2HB ARG 22 2.206 3.765 6.743 159 HB3 ARG 22 1HB ARG 22 0.757 3.670 7.742 160 HG2 ARG 22 2HG ARG 22 2.968 1.603 7.870 161 HG3 ARG 22 1HG ARG 22 2.931 3.027 8.911 162 HD2 ARG 22 2HD ARG 22 0.722 0.942 8.724 163 HD3 ARG 22 1HD ARG 22 1.890 1.084 10.051 164 HE ARG 22 HE ARG 22 0.920 3.595 10.042 165 HH11 ARG 22 1HH2 ARG 22 -0.717 0.538 9.734 166 HH12 ARG 22 2HH2 ARG 22 -2.198 1.128 10.382 167 HH21 ARG 22 1HH1 ARG 22 -1.029 4.343 10.907 168 HH22 ARG 22 2HH1 ARG 22 -2.381 3.279 11.043 169 H CYS 23 H CYS 23 -0.506 1.132 4.409 170 HA CYS 23 HA CYS 23 -2.347 3.456 4.206 171 HB2 CYS 23 2HB CYS 23 -0.245 3.832 2.842 172 HB3 CYS 23 1HB CYS 23 -0.694 2.430 1.876 173 H CYS 24 H CYS 24 -2.459 0.423 4.805 174 HA CYS 24 HA CYS 24 -4.921 -0.147 3.366 175 HB2 CYS 24 2HB CYS 24 -3.375 -0.550 1.522 176 HB3 CYS 24 1HB CYS 24 -2.348 -1.540 2.545 177 HN1 NH2 25 2H CYS 24 -5.267 -2.365 6.113 178 HN2 NH2 25 1H CYS 24 -5.985 -1.212 5.094
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