NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608528 | 5kwp | 30141 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 1HT THR 1 -4.707 -7.192 1.046 2 H2 THR 1 2HT THR 1 -3.691 -8.209 1.980 3 H3 THR 1 3HT THR 1 -3.033 -7.110 0.877 4 HA THR 1 HA THR 1 -4.592 -6.334 3.212 5 HB THR 1 HB THR 1 -1.596 -6.187 2.833 6 HG1 THR 1 1HG THR 1 -2.823 -8.086 4.524 7 HG21 THR 1 1HG2 THR 1 -1.669 -5.979 5.304 8 HG22 THR 1 2HG2 THR 1 -3.431 -6.015 5.232 9 HG23 THR 1 3HG2 THR 1 -2.542 -4.684 4.489 10 H CYS 2 H CYS 2 -5.115 -4.183 3.100 11 HA CYS 2 HA CYS 2 -3.974 -2.645 0.883 12 HB2 CYS 2 2HB CYS 2 -6.673 -2.361 2.204 13 HB3 CYS 2 1HB CYS 2 -6.057 -1.353 0.904 14 H VAL 3 H VAL 3 -2.636 -1.150 1.512 15 HA VAL 3 HA VAL 3 -3.081 0.135 4.095 16 HB VAL 3 HB VAL 3 -0.754 1.026 3.899 17 HG11 VAL 3 1HG1 VAL 3 -0.929 -1.970 3.627 18 HG12 VAL 3 2HG1 VAL 3 -1.091 -1.039 5.118 19 HG13 VAL 3 3HG1 VAL 3 0.452 -1.080 4.267 20 HG21 VAL 3 1HG2 VAL 3 -0.607 -0.687 1.421 21 HG22 VAL 3 2HG2 VAL 3 0.769 0.107 2.185 22 HG23 VAL 3 3HG2 VAL 3 -0.529 1.075 1.479 23 H GLU 4 H GLU 4 -3.505 2.283 4.163 24 HA GLU 4 HA GLU 4 -3.922 3.545 1.548 25 HB2 GLU 4 2HB GLU 4 -5.721 3.740 3.970 26 HB3 GLU 4 1HB GLU 4 -5.996 4.494 2.404 27 HG2 GLU 4 2HG GLU 4 -6.206 2.328 1.354 28 HG3 GLU 4 1HG GLU 4 -5.825 1.526 2.870 29 H CYS 5 H CYS 5 -2.952 5.402 1.330 30 HA CYS 5 HA CYS 5 -2.362 7.019 3.682 31 HB2 CYS 5 2HB CYS 5 -0.084 7.464 2.739 32 HB3 CYS 5 1HB CYS 5 -0.309 5.814 3.311 33 H DAL 6 H DAL 6 -3.236 8.915 3.362 34 HA DAL 6 HA DAL 6 -2.662 10.641 1.295 35 HB1 DAL 6 1HB DAL 6 -4.361 12.107 2.149 36 HB2 DAL 6 2HB DAL 6 -3.511 11.342 3.493 37 HB3 DAL 6 3HB DAL 6 -5.117 10.780 3.029 38 HA DPR 7 HA DPR 7 -6.653 9.600 -1.103 39 HB2 DPR 7 1HB DPR 7 -8.138 7.445 -0.542 40 HB3 DPR 7 2HB DPR 7 -8.329 8.951 0.368 41 HG2 DPR 7 1HG DPR 7 -6.787 6.481 1.095 42 HG3 DPR 7 2HG DPR 7 -7.922 7.411 2.090 43 HD2 DPR 7 1HD DPR 7 -5.222 7.711 2.250 44 HD3 DPR 7 2HD DPR 7 -6.363 9.031 2.569 45 H VAL 8 H VAL 8 -4.000 7.758 -0.590 46 HA VAL 8 HA VAL 8 -4.347 6.298 -3.073 47 HB VAL 8 HB VAL 8 -1.901 6.502 -1.261 48 HG11 VAL 8 1HG1 VAL 8 -2.131 5.464 -4.089 49 HG12 VAL 8 2HG1 VAL 8 -1.861 4.489 -2.646 50 HG13 VAL 8 3HG1 VAL 8 -0.632 5.640 -3.175 51 HG21 VAL 8 1HG2 VAL 8 -2.480 8.672 -2.197 52 HG22 VAL 8 2HG2 VAL 8 -2.538 7.978 -3.816 53 HG23 VAL 8 3HG2 VAL 8 -1.006 8.056 -2.948 54 H LYS 9 H LYS 9 -4.705 4.162 -3.150 55 HA LYS 9 HA LYS 9 -4.949 2.739 -0.588 56 HB2 LYS 9 2HB LYS 9 -7.054 3.428 -1.863 57 HB3 LYS 9 1HB LYS 9 -6.542 2.319 -3.116 58 HG2 LYS 9 2HG LYS 9 -6.626 0.489 -1.411 59 HG3 LYS 9 1HG LYS 9 -7.348 1.655 -0.296 60 HD2 LYS 9 2HD LYS 9 -9.079 2.107 -2.078 61 HD3 LYS 9 1HD LYS 9 -8.446 0.702 -2.930 62 HE2 LYS 9 2HE LYS 9 -10.324 -0.027 -1.690 63 HE3 LYS 9 1HE LYS 9 -8.900 -0.626 -0.837 64 HZ1 LYS 9 1HZ LYS 9 -10.517 1.758 -0.114 65 HZ2 LYS 9 2HZ LYS 9 -9.148 1.297 0.717 66 HZ3 LYS 9 3HZ LYS 9 -10.501 0.294 0.701 67 H VAL 10 H VAL 10 -3.173 1.389 -0.589 68 HA VAL 10 HA VAL 10 -2.495 0.114 -3.135 69 HB VAL 10 HB VAL 10 -0.760 0.394 -0.663 70 HG11 VAL 10 1HG1 VAL 10 -0.090 -0.642 -3.418 71 HG12 VAL 10 2HG1 VAL 10 -0.236 -1.604 -1.947 72 HG13 VAL 10 3HG1 VAL 10 1.057 -0.413 -2.095 73 HG21 VAL 10 1HG2 VAL 10 -0.644 1.862 -3.300 74 HG22 VAL 10 2HG2 VAL 10 0.549 1.989 -2.011 75 HG23 VAL 10 3HG2 VAL 10 -1.103 2.547 -1.741 76 H CYS 11 H CYS 11 -3.389 -1.787 -3.335 77 HA CYS 11 HA CYS 11 -3.648 -3.487 -0.961 78 HB2 CYS 11 2HB CYS 11 -5.223 -3.484 -3.539 79 HB3 CYS 11 1HB CYS 11 -5.415 -4.677 -2.260 80 H ARG 12 H ARG 12 -2.049 -4.854 -0.856 81 HA ARG 12 HA ARG 12 -1.353 -6.422 -3.232 82 HB2 ARG 12 2HB ARG 12 0.687 -5.319 -1.250 83 HB3 ARG 12 1HB ARG 12 1.044 -6.396 -2.577 84 HG2 ARG 12 2HG ARG 12 0.082 -3.551 -2.822 85 HG3 ARG 12 1HG ARG 12 1.733 -4.113 -3.063 86 HD2 ARG 12 2HD ARG 12 0.958 -5.475 -4.976 87 HD3 ARG 12 1HD ARG 12 -0.679 -4.858 -4.731 88 HE ARG 12 HE ARG 12 1.480 -2.945 -5.132 89 HH11 ARG 12 1HH1 ARG 12 -1.278 -4.605 -6.644 90 HH12 ARG 12 2HH1 ARG 12 -1.502 -3.384 -7.812 91 HH21 ARG 12 1HH2 ARG 12 1.115 -1.300 -6.689 92 HH22 ARG 12 2HH2 ARG 12 -0.116 -1.474 -7.859 93 HA PRO 13 HA PRO 13 -1.959 -9.920 -0.580 94 HB2 PRO 13 2HB PRO 13 0.787 -10.856 -1.222 95 HB3 PRO 13 1HB PRO 13 -0.759 -11.701 -1.376 96 HG2 PRO 13 2HG PRO 13 0.492 -10.766 -3.528 97 HG3 PRO 13 1HG PRO 13 -1.271 -10.678 -3.383 98 HD2 PRO 13 2HD PRO 13 0.769 -8.534 -3.041 99 HD3 PRO 13 1HD PRO 13 -0.855 -8.441 -3.761 100 H ASP 14 H ASP 14 1.373 -8.731 -0.373 101 HA ASP 14 HA ASP 14 1.316 -9.320 2.484 102 HB2 ASP 14 2HB ASP 14 3.668 -8.740 0.678 103 HB3 ASP 14 1HB ASP 14 3.776 -8.980 2.417 104 HA PRO 15 HA PRO 15 0.710 -5.015 3.391 105 HB2 PRO 15 2HB PRO 15 1.908 -5.088 5.892 106 HB3 PRO 15 1HB PRO 15 0.220 -5.484 5.577 107 HG2 PRO 15 2HG PRO 15 2.567 -7.291 5.930 108 HG3 PRO 15 1HG PRO 15 0.896 -7.509 6.473 109 HD2 PRO 15 2HD PRO 15 1.873 -8.808 4.363 110 HD3 PRO 15 1HD PRO 15 0.190 -8.238 4.394 111 H GLU 16 H GLU 16 3.764 -6.585 3.960 112 HA GLU 16 HA GLU 16 5.350 -4.259 4.215 113 HB2 GLU 16 2HB GLU 16 6.096 -7.078 3.462 114 HB3 GLU 16 1HB GLU 16 7.234 -5.821 3.934 115 HG2 GLU 16 2HG GLU 16 6.348 -5.724 6.136 116 HG3 GLU 16 1HG GLU 16 4.987 -6.751 5.696 117 H GLU 17 H GLU 17 4.579 -6.384 1.487 118 HA GLU 17 HA GLU 17 6.199 -5.052 -0.416 119 HB2 GLU 17 2HB GLU 17 5.244 -7.336 -0.727 120 HB3 GLU 17 1HB GLU 17 3.649 -6.616 -0.882 121 HG2 GLU 17 2HG GLU 17 4.507 -7.130 -3.067 122 HG3 GLU 17 1HG GLU 17 4.430 -5.379 -2.861 123 H ALA 18 H ALA 18 2.867 -4.729 0.628 124 HA ALA 18 HA ALA 18 2.002 -2.777 -1.171 125 HB1 ALA 18 1HB ALA 18 1.135 -3.136 1.704 126 HB2 ALA 18 2HB ALA 18 0.495 -4.042 0.337 127 HB3 ALA 18 3HB ALA 18 0.234 -2.303 0.435 128 H ARG 19 H ARG 19 3.310 -2.419 2.108 129 HA ARG 19 HA ARG 19 3.440 0.354 2.193 130 HB2 ARG 19 2HB ARG 19 4.967 -1.793 3.556 131 HB3 ARG 19 1HB ARG 19 5.412 -0.110 3.773 132 HG2 ARG 19 2HG ARG 19 3.224 0.383 4.662 133 HG3 ARG 19 1HG ARG 19 2.712 -1.286 4.364 134 HD2 ARG 19 2HD ARG 19 3.445 -0.801 6.715 135 HD3 ARG 19 1HD ARG 19 4.276 -2.135 5.905 136 HE ARG 19 HE ARG 19 5.596 0.432 5.707 137 HH11 ARG 19 1HH1 ARG 19 5.330 -2.594 7.525 138 HH12 ARG 19 2HH1 ARG 19 6.888 -2.475 8.187 139 HH21 ARG 19 1HH2 ARG 19 7.693 0.581 6.590 140 HH22 ARG 19 2HH2 ARG 19 8.257 -0.612 7.681 141 H ARG 20 H ARG 20 5.795 -1.975 0.991 142 HA ARG 20 HA ARG 20 7.926 -0.285 0.674 143 HB2 ARG 20 2HB ARG 20 8.177 -2.690 0.456 144 HB3 ARG 20 1HB ARG 20 7.194 -2.705 -0.995 145 HG2 ARG 20 2HG ARG 20 8.877 -1.778 -2.297 146 HG3 ARG 20 1HG ARG 20 9.720 -1.109 -0.903 147 HD2 ARG 20 2HD ARG 20 10.941 -3.003 -1.847 148 HD3 ARG 20 1HD ARG 20 10.397 -3.346 -0.217 149 HE ARG 20 HE ARG 20 8.504 -4.415 -2.002 150 HH11 ARG 20 1HH1 ARG 20 11.878 -4.914 -1.072 151 HH12 ARG 20 2HH1 ARG 20 11.893 -6.566 -1.480 152 HH21 ARG 20 1HH2 ARG 20 8.523 -6.703 -2.553 153 HH22 ARG 20 2HH2 ARG 20 9.953 -7.590 -2.318 154 H GLU 21 H GLU 21 5.239 -0.701 -1.587 155 HA GLU 21 HA GLU 21 6.427 1.408 -3.186 156 HB2 GLU 21 2HB GLU 21 4.565 1.131 -4.774 157 HB3 GLU 21 1HB GLU 21 5.419 -0.371 -4.492 158 HG2 GLU 21 2HG GLU 21 3.610 -1.081 -2.984 159 HG3 GLU 21 1HG GLU 21 2.763 0.427 -3.333 160 H ALA 22 H ALA 22 3.756 0.995 -0.952 161 HA ALA 22 HA ALA 22 2.390 3.383 -1.438 162 HB1 ALA 22 1HB ALA 22 1.511 1.522 -0.070 163 HB2 ALA 22 2HB ALA 22 1.361 3.096 0.709 164 HB3 ALA 22 3HB ALA 22 2.631 1.983 1.213 165 H GLU 23 H GLU 23 4.920 2.730 0.989 166 HA GLU 23 HA GLU 23 4.898 5.434 1.926 167 HB2 GLU 23 2HB GLU 23 6.962 3.277 2.368 168 HB3 GLU 23 1HB GLU 23 6.825 4.771 3.281 169 HG2 GLU 23 2HG GLU 23 4.600 4.057 4.062 170 HG3 GLU 23 1HG GLU 23 4.815 2.535 3.203 171 H GLU 24 H GLU 24 6.278 3.867 -0.684 172 HA GLU 24 HA GLU 24 8.517 5.616 -1.071 173 HB2 GLU 24 2HB GLU 24 8.503 3.341 -2.013 174 HB3 GLU 24 1HB GLU 24 7.077 3.721 -2.955 175 HG2 GLU 24 2HG GLU 24 9.135 3.669 -4.293 176 HG3 GLU 24 1HG GLU 24 8.340 5.239 -4.333 177 H ARG 25 H ARG 25 5.149 5.688 -1.650 178 HA ARG 25 HA ARG 25 5.416 8.076 -3.332 179 HB2 ARG 25 2HB ARG 25 2.946 6.457 -2.662 180 HB3 ARG 25 1HB ARG 25 2.992 7.834 -3.739 181 HG2 ARG 25 2HG ARG 25 4.363 5.183 -4.199 182 HG3 ARG 25 1HG ARG 25 2.869 5.718 -4.957 183 HD2 ARG 25 2HD ARG 25 4.619 6.028 -6.551 184 HD3 ARG 25 1HD ARG 25 4.186 7.629 -5.959 185 HE ARG 25 HE ARG 25 6.248 6.914 -4.359 186 HH11 ARG 25 1HH1 ARG 25 5.924 7.086 -7.871 187 HH12 ARG 25 2HH1 ARG 25 7.589 7.334 -8.127 188 HH21 ARG 25 1HH2 ARG 25 8.503 7.226 -4.724 189 HH22 ARG 25 2HH2 ARG 25 9.096 7.357 -6.315 190 H CYS 26 H CYS 26 3.876 6.865 -0.411 191 HA CYS 26 HA CYS 26 3.200 9.552 0.442 192 HB2 CYS 26 2HB CYS 26 2.637 6.879 1.729 193 HB3 CYS 26 1HB CYS 26 1.898 8.422 2.140 194 HN1 NH2 27 HN1 NH2 27 5.330 10.225 0.817 195 HN2 NH2 27 HN2 NH2 27 6.238 9.718 2.200 Start of MODEL 2 1 H1 THR 1 1HT THR 1 -4.826 -7.259 0.811 2 H2 THR 1 2HT THR 1 -3.993 -8.251 1.920 3 H3 THR 1 3HT THR 1 -3.142 -7.304 0.797 4 HA THR 1 HA THR 1 -4.815 -6.262 2.964 5 HB THR 1 HB THR 1 -1.803 -6.341 2.617 6 HG1 THR 1 1HG THR 1 -3.551 -7.715 4.404 7 HG21 THR 1 1HG2 THR 1 -1.739 -5.381 4.887 8 HG22 THR 1 2HG2 THR 1 -3.502 -5.283 4.890 9 HG23 THR 1 3HG2 THR 1 -2.567 -4.306 3.761 10 H CYS 2 H CYS 2 -5.632 -4.348 2.347 11 HA CYS 2 HA CYS 2 -4.159 -2.756 0.399 12 HB2 CYS 2 2HB CYS 2 -7.024 -2.546 1.346 13 HB3 CYS 2 1HB CYS 2 -6.271 -1.502 0.146 14 H VAL 3 H VAL 3 -2.979 -1.218 1.147 15 HA VAL 3 HA VAL 3 -3.581 -0.133 3.787 16 HB VAL 3 HB VAL 3 -1.280 0.739 3.818 17 HG11 VAL 3 1HG1 VAL 3 -0.102 -1.414 4.012 18 HG12 VAL 3 2HG1 VAL 3 -1.466 -2.207 3.223 19 HG13 VAL 3 3HG1 VAL 3 -1.684 -1.430 4.792 20 HG21 VAL 3 1HG2 VAL 3 -0.916 1.062 1.442 21 HG22 VAL 3 2HG2 VAL 3 -0.996 -0.676 1.170 22 HG23 VAL 3 3HG2 VAL 3 0.342 0.010 2.096 23 H GLU 4 H GLU 4 -3.393 2.147 4.091 24 HA GLU 4 HA GLU 4 -3.939 3.686 1.663 25 HB2 GLU 4 2HB GLU 4 -6.027 3.037 2.826 26 HB3 GLU 4 1HB GLU 4 -5.438 3.840 4.273 27 HG2 GLU 4 2HG GLU 4 -5.310 5.942 2.931 28 HG3 GLU 4 1HG GLU 4 -6.150 5.086 1.641 29 H CYS 5 H CYS 5 -2.986 5.646 1.662 30 HA CYS 5 HA CYS 5 -2.431 7.048 4.114 31 HB2 CYS 5 2HB CYS 5 -0.319 5.812 3.921 32 HB3 CYS 5 1HB CYS 5 -0.126 6.374 2.260 33 H DAL 6 H DAL 6 -3.430 8.880 3.657 34 HA DAL 6 HA DAL 6 -2.319 10.739 1.959 35 HB1 DAL 6 1HB DAL 6 -4.182 12.188 2.392 36 HB2 DAL 6 2HB DAL 6 -3.715 11.343 3.863 37 HB3 DAL 6 3HB DAL 6 -5.149 10.833 2.973 38 HA DPR 7 HA DPR 7 -5.285 9.985 -1.603 39 HB2 DPR 7 1HB DPR 7 -7.271 8.267 -1.575 40 HB3 DPR 7 2HB DPR 7 -7.395 9.759 -0.628 41 HG2 DPR 7 1HG DPR 7 -6.663 6.988 0.274 42 HG3 DPR 7 2HG DPR 7 -7.818 8.114 1.002 43 HD2 DPR 7 1HD DPR 7 -5.200 7.804 1.841 44 HD3 DPR 7 2HD DPR 7 -6.159 9.276 2.085 45 H VAL 8 H VAL 8 -3.209 7.939 -0.420 46 HA VAL 8 HA VAL 8 -3.019 6.414 -2.856 47 HB VAL 8 HB VAL 8 -1.237 6.384 -0.399 48 HG11 VAL 8 1HG1 VAL 8 -0.704 5.337 -3.176 49 HG12 VAL 8 2HG1 VAL 8 -0.993 4.360 -1.737 50 HG13 VAL 8 3HG1 VAL 8 0.451 5.368 -1.841 51 HG21 VAL 8 1HG2 VAL 8 0.259 7.818 -1.706 52 HG22 VAL 8 2HG2 VAL 8 -1.308 8.579 -1.427 53 HG23 VAL 8 3HG2 VAL 8 -0.938 7.874 -3.001 54 H LYS 9 H LYS 9 -3.967 4.545 -3.124 55 HA LYS 9 HA LYS 9 -4.537 2.771 -0.837 56 HB2 LYS 9 2HB LYS 9 -5.806 2.959 -3.578 57 HB3 LYS 9 1HB LYS 9 -6.186 1.736 -2.388 58 HG2 LYS 9 2HG LYS 9 -6.545 4.651 -1.858 59 HG3 LYS 9 1HG LYS 9 -7.799 3.679 -2.639 60 HD2 LYS 9 2HD LYS 9 -7.628 2.151 -0.606 61 HD3 LYS 9 1HD LYS 9 -6.677 3.432 0.150 62 HE2 LYS 9 2HE LYS 9 -8.497 4.997 -0.072 63 HE3 LYS 9 1HE LYS 9 -9.444 3.838 -0.997 64 HZ1 LYS 9 1HZ LYS 9 -9.425 2.416 1.080 65 HZ2 LYS 9 2HZ LYS 9 -10.280 3.848 1.175 66 HZ3 LYS 9 3HZ LYS 9 -8.778 3.762 1.900 67 H VAL 10 H VAL 10 -3.262 1.039 -0.797 68 HA VAL 10 HA VAL 10 -2.206 -0.046 -3.340 69 HB VAL 10 HB VAL 10 -0.636 0.253 -0.754 70 HG11 VAL 10 1HG1 VAL 10 -0.205 -1.895 -1.910 71 HG12 VAL 10 2HG1 VAL 10 1.193 -0.839 -1.831 72 HG13 VAL 10 3HG1 VAL 10 0.294 -0.989 -3.346 73 HG21 VAL 10 1HG2 VAL 10 -0.176 1.442 -3.489 74 HG22 VAL 10 2HG2 VAL 10 0.881 1.637 -2.089 75 HG23 VAL 10 3HG2 VAL 10 -0.753 2.305 -2.065 76 H CYS 11 H CYS 11 -2.850 -2.108 -3.610 77 HA CYS 11 HA CYS 11 -3.460 -3.666 -1.206 78 HB2 CYS 11 2HB CYS 11 -4.583 -3.931 -4.001 79 HB3 CYS 11 1HB CYS 11 -4.979 -4.973 -2.640 80 H ARG 12 H ARG 12 -2.010 -5.112 -0.745 81 HA ARG 12 HA ARG 12 -0.846 -6.728 -2.865 82 HB2 ARG 12 2HB ARG 12 0.728 -5.255 -0.750 83 HB3 ARG 12 1HB ARG 12 1.362 -6.656 -1.590 84 HG2 ARG 12 2HG ARG 12 0.467 -4.125 -2.944 85 HG3 ARG 12 1HG ARG 12 2.135 -4.485 -2.492 86 HD2 ARG 12 2HD ARG 12 2.046 -6.503 -3.900 87 HD3 ARG 12 1HD ARG 12 0.412 -6.064 -4.408 88 HE ARG 12 HE ARG 12 1.885 -3.864 -4.908 89 HH11 ARG 12 1HH1 ARG 12 2.252 -7.243 -5.886 90 HH12 ARG 12 2HH1 ARG 12 2.935 -6.900 -7.398 91 HH21 ARG 12 1HH2 ARG 12 2.891 -3.358 -6.912 92 HH22 ARG 12 2HH2 ARG 12 3.312 -4.584 -8.020 93 HA PRO 13 HA PRO 13 -1.812 -10.105 -0.137 94 HB2 PRO 13 2HB PRO 13 0.825 -11.243 -0.927 95 HB3 PRO 13 1HB PRO 13 -0.784 -11.954 -1.055 96 HG2 PRO 13 2HG PRO 13 0.462 -11.063 -3.220 97 HG3 PRO 13 1HG PRO 13 -1.283 -10.836 -3.009 98 HD2 PRO 13 2HD PRO 13 0.933 -8.864 -2.673 99 HD3 PRO 13 1HD PRO 13 -0.688 -8.653 -3.369 100 H ASP 14 H ASP 14 1.587 -9.111 -0.102 101 HA ASP 14 HA ASP 14 1.728 -9.584 2.774 102 HB2 ASP 14 2HB ASP 14 3.831 -8.859 0.736 103 HB3 ASP 14 1HB ASP 14 4.134 -8.750 2.455 104 HA PRO 15 HA PRO 15 1.090 -5.259 3.664 105 HB2 PRO 15 2HB PRO 15 2.252 -5.195 6.130 106 HB3 PRO 15 1HB PRO 15 0.650 -5.889 5.860 107 HG2 PRO 15 2HG PRO 15 3.296 -7.278 6.056 108 HG3 PRO 15 1HG PRO 15 1.757 -7.700 6.827 109 HD2 PRO 15 2HD PRO 15 2.591 -8.965 4.626 110 HD3 PRO 15 1HD PRO 15 0.875 -8.581 4.873 111 H GLU 16 H GLU 16 4.060 -6.966 3.695 112 HA GLU 16 HA GLU 16 5.990 -4.966 3.948 113 HB2 GLU 16 2HB GLU 16 6.440 -7.368 3.948 114 HB3 GLU 16 1HB GLU 16 5.974 -7.472 2.258 115 HG2 GLU 16 2HG GLU 16 8.310 -7.530 2.349 116 HG3 GLU 16 1HG GLU 16 7.863 -5.928 1.757 117 H GLU 17 H GLU 17 4.657 -6.431 0.993 118 HA GLU 17 HA GLU 17 5.855 -4.552 -0.729 119 HB2 GLU 17 2HB GLU 17 3.674 -6.571 -1.169 120 HB3 GLU 17 1HB GLU 17 4.300 -5.553 -2.457 121 HG2 GLU 17 2HG GLU 17 6.536 -6.477 -2.098 122 HG3 GLU 17 1HG GLU 17 5.898 -7.487 -0.803 123 H ALA 18 H ALA 18 2.732 -4.742 0.785 124 HA ALA 18 HA ALA 18 1.427 -2.716 -0.630 125 HB1 ALA 18 1HB ALA 18 0.271 -4.243 0.935 126 HB2 ALA 18 2HB ALA 18 -0.049 -2.556 1.320 127 HB3 ALA 18 3HB ALA 18 1.110 -3.471 2.280 128 H ARG 19 H ARG 19 3.286 -2.599 2.389 129 HA ARG 19 HA ARG 19 3.163 0.142 2.814 130 HB2 ARG 19 2HB ARG 19 3.927 -1.338 4.561 131 HB3 ARG 19 1HB ARG 19 5.300 -1.838 3.581 132 HG2 ARG 19 2HG ARG 19 6.143 0.479 3.640 133 HG3 ARG 19 1HG ARG 19 4.819 0.902 4.720 134 HD2 ARG 19 2HD ARG 19 5.646 -0.589 6.397 135 HD3 ARG 19 1HD ARG 19 6.875 -1.214 5.292 136 HE ARG 19 HE ARG 19 7.560 1.248 5.233 137 HH11 ARG 19 1HH1 ARG 19 6.506 -0.567 8.112 138 HH12 ARG 19 2HH1 ARG 19 7.476 0.279 9.207 139 HH21 ARG 19 1HH2 ARG 19 8.861 2.514 6.799 140 HH22 ARG 19 2HH2 ARG 19 8.815 2.115 8.444 141 H ARG 20 H ARG 20 5.520 -1.797 1.017 142 HA ARG 20 HA ARG 20 7.314 0.346 0.681 143 HB2 ARG 20 2HB ARG 20 7.140 -2.104 -1.071 144 HB3 ARG 20 1HB ARG 20 8.513 -1.015 -0.938 145 HG2 ARG 20 2HG ARG 20 7.440 -2.887 1.162 146 HG3 ARG 20 1HG ARG 20 9.001 -2.958 0.350 147 HD2 ARG 20 2HD ARG 20 9.737 -0.957 1.482 148 HD3 ARG 20 1HD ARG 20 8.130 -0.700 2.160 149 HE ARG 20 HE ARG 20 9.041 -3.227 2.950 150 HH11 ARG 20 1HH1 ARG 20 9.423 0.205 3.767 151 HH12 ARG 20 2HH1 ARG 20 10.255 -0.126 5.211 152 HH21 ARG 20 1HH2 ARG 20 10.014 -3.639 4.898 153 HH22 ARG 20 2HH2 ARG 20 10.602 -2.401 5.922 154 H GLU 21 H GLU 21 4.689 -0.750 -1.402 155 HA GLU 21 HA GLU 21 5.348 1.190 -3.398 156 HB2 GLU 21 2HB GLU 21 2.714 -0.184 -2.920 157 HB3 GLU 21 1HB GLU 21 3.146 0.734 -4.348 158 HG2 GLU 21 2HG GLU 21 4.967 -0.923 -4.750 159 HG3 GLU 21 1HG GLU 21 4.289 -1.881 -3.431 160 H ALA 22 H ALA 22 3.253 1.092 -0.592 161 HA ALA 22 HA ALA 22 1.904 3.502 -1.082 162 HB1 ALA 22 1HB ALA 22 2.499 2.224 1.582 163 HB2 ALA 22 2HB ALA 22 1.126 1.839 0.546 164 HB3 ALA 22 3HB ALA 22 1.268 3.446 1.262 165 H GLU 23 H GLU 23 4.824 2.821 0.836 166 HA GLU 23 HA GLU 23 5.073 5.526 1.654 167 HB2 GLU 23 2HB GLU 23 7.197 4.912 2.681 168 HB3 GLU 23 1HB GLU 23 5.951 3.744 3.064 169 HG2 GLU 23 2HG GLU 23 6.876 2.179 1.495 170 HG3 GLU 23 1HG GLU 23 8.071 3.364 0.961 171 H GLU 24 H GLU 24 5.825 4.085 -1.247 172 HA GLU 24 HA GLU 24 8.024 5.724 -1.997 173 HB2 GLU 24 2HB GLU 24 7.460 3.655 -3.202 174 HB3 GLU 24 1HB GLU 24 5.931 4.358 -3.701 175 HG2 GLU 24 2HG GLU 24 7.139 6.064 -4.974 176 HG3 GLU 24 1HG GLU 24 8.665 5.327 -4.494 177 H ARG 25 H ARG 25 4.542 5.999 -2.193 178 HA ARG 25 HA ARG 25 4.751 8.668 -3.362 179 HB2 ARG 25 2HB ARG 25 3.112 7.066 -4.306 180 HB3 ARG 25 1HB ARG 25 2.301 6.997 -2.755 181 HG2 ARG 25 2HG ARG 25 1.066 8.403 -4.285 182 HG3 ARG 25 1HG ARG 25 1.710 9.371 -2.965 183 HD2 ARG 25 2HD ARG 25 3.482 10.207 -4.378 184 HD3 ARG 25 1HD ARG 25 2.990 9.138 -5.692 185 HE ARG 25 HE ARG 25 0.796 10.437 -5.492 186 HH11 ARG 25 1HH1 ARG 25 4.044 11.858 -5.189 187 HH12 ARG 25 2HH1 ARG 25 3.554 13.421 -5.642 188 HH21 ARG 25 1HH2 ARG 25 0.163 12.606 -6.175 189 HH22 ARG 25 2HH2 ARG 25 1.297 13.863 -6.229 190 H CYS 26 H CYS 26 3.728 6.997 -0.483 191 HA CYS 26 HA CYS 26 3.083 9.459 0.924 192 HB2 CYS 26 2HB CYS 26 1.486 7.722 1.270 193 HB3 CYS 26 1HB CYS 26 2.739 6.520 1.532 194 HN1 NH2 27 HN1 NH2 27 5.136 10.348 1.154 195 HN2 NH2 27 HN2 NH2 27 6.344 9.649 2.168 Start of MODEL 3 1 H1 THR 1 1HT THR 1 -4.165 -7.411 0.100 2 H2 THR 1 2HT THR 1 -4.338 -8.407 1.455 3 H3 THR 1 3HT THR 1 -3.069 -7.283 1.365 4 HA THR 1 HA THR 1 -5.907 -6.576 1.438 5 HB THR 1 HB THR 1 -3.821 -6.240 3.627 6 HG1 THR 1 1HG THR 1 -3.974 -8.299 3.848 7 HG21 THR 1 1HG2 THR 1 -5.805 -6.046 5.073 8 HG22 THR 1 2HG2 THR 1 -6.855 -6.268 3.677 9 HG23 THR 1 3HG2 THR 1 -5.837 -4.831 3.802 10 H CYS 2 H CYS 2 -5.843 -4.014 2.171 11 HA CYS 2 HA CYS 2 -3.755 -2.808 0.509 12 HB2 CYS 2 2HB CYS 2 -6.499 -1.671 1.051 13 HB3 CYS 2 1HB CYS 2 -5.344 -1.185 -0.180 14 H VAL 3 H VAL 3 -2.882 -0.869 1.227 15 HA VAL 3 HA VAL 3 -3.458 -0.206 4.027 16 HB VAL 3 HB VAL 3 -1.185 0.816 4.156 17 HG11 VAL 3 1HG1 VAL 3 -1.172 -2.080 3.341 18 HG12 VAL 3 2HG1 VAL 3 -1.491 -1.450 4.957 19 HG13 VAL 3 3HG1 VAL 3 0.108 -1.263 4.235 20 HG21 VAL 3 1HG2 VAL 3 -0.826 1.313 1.798 21 HG22 VAL 3 2HG2 VAL 3 -0.784 -0.408 1.425 22 HG23 VAL 3 3HG2 VAL 3 0.488 0.308 2.413 23 H GLU 4 H GLU 4 -3.743 1.942 4.574 24 HA GLU 4 HA GLU 4 -4.666 3.594 2.352 25 HB2 GLU 4 2HB GLU 4 -4.850 4.270 5.277 26 HB3 GLU 4 1HB GLU 4 -5.879 4.810 3.969 27 HG2 GLU 4 2HG GLU 4 -5.826 2.036 5.143 28 HG3 GLU 4 1HG GLU 4 -7.020 3.273 5.492 29 H CYS 5 H CYS 5 -3.055 4.903 1.542 30 HA CYS 5 HA CYS 5 -1.437 6.317 3.524 31 HB2 CYS 5 2HB CYS 5 -0.094 4.516 2.457 32 HB3 CYS 5 1HB CYS 5 -0.396 5.259 0.889 33 H DAL 6 H DAL 6 -2.281 8.256 3.435 34 HA DAL 6 HA DAL 6 -1.724 10.037 1.403 35 HB1 DAL 6 1HB DAL 6 -3.877 10.388 3.478 36 HB2 DAL 6 2HB DAL 6 -3.060 11.663 2.574 37 HB3 DAL 6 3HB DAL 6 -2.159 10.682 3.730 38 HA DPR 7 HA DPR 7 -6.113 9.745 -0.455 39 HB2 DPR 7 1HB DPR 7 -7.806 7.785 0.231 40 HB3 DPR 7 2HB DPR 7 -7.704 9.283 1.156 41 HG2 DPR 7 1HG DPR 7 -6.507 6.597 1.725 42 HG3 DPR 7 2HG DPR 7 -7.291 7.731 2.840 43 HD2 DPR 7 1HD DPR 7 -4.582 7.479 2.595 44 HD3 DPR 7 2HD DPR 7 -5.399 8.961 3.123 45 H VAL 8 H VAL 8 -3.772 7.496 -0.336 46 HA VAL 8 HA VAL 8 -4.753 6.146 -2.729 47 HB VAL 8 HB VAL 8 -1.930 6.315 -1.616 48 HG11 VAL 8 1HG1 VAL 8 -1.217 5.424 -3.783 49 HG12 VAL 8 2HG1 VAL 8 -2.903 5.263 -4.270 50 HG13 VAL 8 3HG1 VAL 8 -2.279 4.298 -2.936 51 HG21 VAL 8 1HG2 VAL 8 -2.692 8.489 -2.382 52 HG22 VAL 8 2HG2 VAL 8 -3.172 7.799 -3.932 53 HG23 VAL 8 3HG2 VAL 8 -1.468 7.849 -3.477 54 H LYS 9 H LYS 9 -5.445 4.149 -2.482 55 HA LYS 9 HA LYS 9 -4.652 2.688 -0.089 56 HB2 LYS 9 2HB LYS 9 -6.957 2.242 -1.992 57 HB3 LYS 9 1HB LYS 9 -6.616 1.246 -0.580 58 HG2 LYS 9 2HG LYS 9 -6.958 3.164 0.884 59 HG3 LYS 9 1HG LYS 9 -7.253 4.192 -0.513 60 HD2 LYS 9 2HD LYS 9 -8.925 1.809 0.284 61 HD3 LYS 9 1HD LYS 9 -9.330 3.489 0.630 62 HE2 LYS 9 2HE LYS 9 -9.333 3.930 -1.810 63 HE3 LYS 9 1HE LYS 9 -9.054 2.213 -2.087 64 HZ1 LYS 9 1HZ LYS 9 -11.418 3.402 -0.747 65 HZ2 LYS 9 2HZ LYS 9 -11.143 1.752 -0.930 66 HZ3 LYS 9 3HZ LYS 9 -11.364 2.730 -2.294 67 H VAL 10 H VAL 10 -2.945 1.575 -0.438 68 HA VAL 10 HA VAL 10 -2.395 0.475 -3.088 69 HB VAL 10 HB VAL 10 -0.594 0.672 -0.652 70 HG11 VAL 10 1HG1 VAL 10 1.232 0.046 -2.149 71 HG12 VAL 10 2HG1 VAL 10 0.089 -0.158 -3.474 72 HG13 VAL 10 3HG1 VAL 10 0.019 -1.235 -2.076 73 HG21 VAL 10 1HG2 VAL 10 -1.091 2.843 -1.606 74 HG22 VAL 10 2HG2 VAL 10 -0.654 2.260 -3.212 75 HG23 VAL 10 3HG2 VAL 10 0.578 2.392 -1.960 76 H CYS 11 H CYS 11 -3.121 -1.449 -3.468 77 HA CYS 11 HA CYS 11 -3.495 -3.352 -1.301 78 HB2 CYS 11 2HB CYS 11 -4.411 -3.419 -4.173 79 HB3 CYS 11 1HB CYS 11 -4.869 -4.543 -2.897 80 H ARG 12 H ARG 12 -2.389 -5.225 -1.183 81 HA ARG 12 HA ARG 12 -0.733 -6.222 -3.304 82 HB2 ARG 12 2HB ARG 12 0.493 -4.210 -2.311 83 HB3 ARG 12 1HB ARG 12 0.534 -5.108 -0.812 84 HG2 ARG 12 2HG ARG 12 2.633 -5.290 -1.818 85 HG3 ARG 12 1HG ARG 12 1.852 -6.865 -1.988 86 HD2 ARG 12 2HD ARG 12 1.374 -6.420 -4.301 87 HD3 ARG 12 1HD ARG 12 1.897 -4.741 -4.128 88 HE ARG 12 HE ARG 12 3.807 -6.894 -3.612 89 HH11 ARG 12 1HH1 ARG 12 2.806 -4.180 -5.703 90 HH12 ARG 12 2HH1 ARG 12 4.306 -4.049 -6.479 91 HH21 ARG 12 1HH2 ARG 12 5.874 -6.681 -4.649 92 HH22 ARG 12 2HH2 ARG 12 6.123 -5.497 -5.845 93 HA PRO 13 HA PRO 13 -1.829 -9.778 -0.682 94 HB2 PRO 13 2HB PRO 13 0.672 -10.943 -1.811 95 HB3 PRO 13 1HB PRO 13 -0.957 -11.625 -1.763 96 HG2 PRO 13 2HG PRO 13 0.014 -10.662 -4.035 97 HG3 PRO 13 1HG PRO 13 -1.678 -10.385 -3.588 98 HD2 PRO 13 2HD PRO 13 0.640 -8.499 -3.476 99 HD3 PRO 13 1HD PRO 13 -1.052 -8.195 -3.918 100 H ASP 14 H ASP 14 1.477 -8.610 -0.815 101 HA ASP 14 HA ASP 14 1.959 -9.481 1.933 102 HB2 ASP 14 2HB ASP 14 3.771 -8.366 -0.193 103 HB3 ASP 14 1HB ASP 14 4.265 -8.384 1.489 104 HA PRO 15 HA PRO 15 0.717 -5.310 3.196 105 HB2 PRO 15 2HB PRO 15 1.392 -5.650 5.838 106 HB3 PRO 15 1HB PRO 15 -0.146 -6.171 5.145 107 HG2 PRO 15 2HG PRO 15 2.325 -7.776 5.674 108 HG3 PRO 15 1HG PRO 15 0.633 -8.199 5.983 109 HD2 PRO 15 2HD PRO 15 1.930 -9.168 3.877 110 HD3 PRO 15 1HD PRO 15 0.225 -8.695 3.747 111 H GLU 16 H GLU 16 3.689 -6.934 3.837 112 HA GLU 16 HA GLU 16 5.284 -4.763 4.664 113 HB2 GLU 16 2HB GLU 16 6.046 -7.275 3.169 114 HB3 GLU 16 1HB GLU 16 7.186 -6.177 3.932 115 HG2 GLU 16 2HG GLU 16 6.240 -6.665 6.110 116 HG3 GLU 16 1HG GLU 16 5.032 -7.708 5.369 117 H GLU 17 H GLU 17 4.875 -6.258 1.446 118 HA GLU 17 HA GLU 17 6.325 -4.270 0.064 119 HB2 GLU 17 2HB GLU 17 4.186 -6.119 -0.948 120 HB3 GLU 17 1HB GLU 17 5.186 -5.109 -1.975 121 HG2 GLU 17 2HG GLU 17 7.148 -6.395 -1.054 122 HG3 GLU 17 1HG GLU 17 5.963 -7.499 -0.340 123 H ALA 18 H ALA 18 2.926 -4.637 0.908 124 HA ALA 18 HA ALA 18 1.787 -2.606 -0.606 125 HB1 ALA 18 1HB ALA 18 0.016 -2.512 1.047 126 HB2 ALA 18 2HB ALA 18 1.059 -3.262 2.244 127 HB3 ALA 18 3HB ALA 18 0.504 -4.201 0.868 128 H ARG 19 H ARG 19 3.214 -2.440 2.613 129 HA ARG 19 HA ARG 19 2.912 0.315 2.967 130 HB2 ARG 19 2HB ARG 19 3.368 -1.273 4.788 131 HB3 ARG 19 1HB ARG 19 4.989 -1.513 4.142 132 HG2 ARG 19 2HG ARG 19 5.528 0.800 4.533 133 HG3 ARG 19 1HG ARG 19 3.898 1.104 5.120 134 HD2 ARG 19 2HD ARG 19 4.278 -0.442 6.968 135 HD3 ARG 19 1HD ARG 19 5.904 -0.767 6.361 136 HE ARG 19 HE ARG 19 5.810 1.930 6.607 137 HH11 ARG 19 1HH1 ARG 19 5.146 -0.697 8.865 138 HH12 ARG 19 2HH1 ARG 19 5.758 0.122 10.227 139 HH21 ARG 19 1HH2 ARG 19 6.616 3.054 8.409 140 HH22 ARG 19 2HH2 ARG 19 6.636 2.357 9.958 141 H ARG 20 H ARG 20 5.672 -1.606 1.800 142 HA ARG 20 HA ARG 20 7.417 0.538 1.476 143 HB2 ARG 20 2HB ARG 20 7.329 -2.143 0.133 144 HB3 ARG 20 1HB ARG 20 8.578 -0.968 -0.239 145 HG2 ARG 20 2HG ARG 20 8.035 -1.967 2.549 146 HG3 ARG 20 1HG ARG 20 9.193 -2.723 1.458 147 HD2 ARG 20 2HD ARG 20 10.378 -1.223 2.943 148 HD3 ARG 20 1HD ARG 20 10.409 -0.575 1.309 149 HE ARG 20 HE ARG 20 8.490 0.422 3.310 150 HH11 ARG 20 1HH1 ARG 20 11.203 1.071 1.099 151 HH12 ARG 20 2HH1 ARG 20 11.061 2.758 1.196 152 HH21 ARG 20 1HH2 ARG 20 8.363 2.751 3.488 153 HH22 ARG 20 2HH2 ARG 20 9.411 3.754 2.592 154 H GLU 21 H GLU 21 5.168 -0.852 -0.867 155 HA GLU 21 HA GLU 21 5.830 0.864 -2.982 156 HB2 GLU 21 2HB GLU 21 3.309 -0.624 -2.292 157 HB3 GLU 21 1HB GLU 21 3.444 0.360 -3.743 158 HG2 GLU 21 2HG GLU 21 5.237 -1.962 -3.067 159 HG3 GLU 21 1HG GLU 21 3.835 -2.047 -4.135 160 H ALA 22 H ALA 22 3.366 1.110 -0.463 161 HA ALA 22 HA ALA 22 2.164 3.478 -1.298 162 HB1 ALA 22 1HB ALA 22 2.450 2.465 1.520 163 HB2 ALA 22 2HB ALA 22 1.209 1.962 0.374 164 HB3 ALA 22 3HB ALA 22 1.264 3.632 0.939 165 H GLU 23 H GLU 23 4.678 3.065 1.181 166 HA GLU 23 HA GLU 23 4.821 5.787 1.818 167 HB2 GLU 23 2HB GLU 23 6.912 3.657 2.217 168 HB3 GLU 23 1HB GLU 23 6.917 5.247 2.967 169 HG2 GLU 23 2HG GLU 23 4.833 4.723 4.113 170 HG3 GLU 23 1HG GLU 23 4.814 3.133 3.355 171 H GLU 24 H GLU 24 6.666 3.928 -0.564 172 HA GLU 24 HA GLU 24 8.484 6.022 -1.161 173 HB2 GLU 24 2HB GLU 24 7.580 3.670 -2.809 174 HB3 GLU 24 1HB GLU 24 8.834 4.786 -3.325 175 HG2 GLU 24 2HG GLU 24 8.925 3.087 -0.842 176 HG3 GLU 24 1HG GLU 24 9.728 2.727 -2.369 177 H ARG 25 H ARG 25 5.324 5.179 -2.401 178 HA ARG 25 HA ARG 25 5.351 7.111 -4.516 179 HB2 ARG 25 2HB ARG 25 2.989 5.778 -3.182 180 HB3 ARG 25 1HB ARG 25 2.927 6.690 -4.680 181 HG2 ARG 25 2HG ARG 25 4.347 5.039 -5.760 182 HG3 ARG 25 1HG ARG 25 4.471 4.148 -4.244 183 HD2 ARG 25 2HD ARG 25 1.949 3.976 -4.289 184 HD3 ARG 25 1HD ARG 25 2.032 4.575 -5.946 185 HE ARG 25 HE ARG 25 3.804 2.481 -5.739 186 HH11 ARG 25 1HH1 ARG 25 0.286 2.988 -5.726 187 HH12 ARG 25 2HH1 ARG 25 -0.078 1.362 -6.044 188 HH21 ARG 25 1HH2 ARG 25 3.262 0.185 -6.198 189 HH22 ARG 25 2HH2 ARG 25 1.618 -0.232 -6.347 190 H CYS 26 H CYS 26 3.919 6.969 -1.301 191 HA CYS 26 HA CYS 26 2.728 9.490 -1.293 192 HB2 CYS 26 2HB CYS 26 3.729 7.777 0.982 193 HB3 CYS 26 1HB CYS 26 2.751 9.220 1.204 194 HN1 NH2 27 HN1 NH2 27 5.622 8.671 0.636 195 HN2 NH2 27 HN2 NH2 27 6.372 10.208 0.412 Start of MODEL 4 1 H1 THR 1 1HT THR 1 -2.182 -5.811 3.526 2 H2 THR 1 2HT THR 1 -2.973 -7.324 3.568 3 H3 THR 1 3HT THR 1 -3.828 -5.914 3.858 4 HA THR 1 HA THR 1 -2.512 -6.681 1.358 5 HB THR 1 HB THR 1 -5.456 -6.590 2.027 6 HG1 THR 1 1HG THR 1 -4.716 -9.041 1.519 7 HG21 THR 1 1HG2 THR 1 -4.931 -6.239 -0.356 8 HG22 THR 1 2HG2 THR 1 -5.691 -7.812 -0.107 9 HG23 THR 1 3HG2 THR 1 -3.950 -7.703 -0.358 10 H CYS 2 H CYS 2 -4.876 -4.358 2.873 11 HA CYS 2 HA CYS 2 -4.145 -2.561 0.697 12 HB2 CYS 2 2HB CYS 2 -6.660 -2.606 2.352 13 HB3 CYS 2 1HB CYS 2 -6.277 -1.402 1.126 14 H VAL 3 H VAL 3 -2.748 -1.187 1.206 15 HA VAL 3 HA VAL 3 -2.827 0.015 3.862 16 HB VAL 3 HB VAL 3 -0.460 0.729 3.421 17 HG11 VAL 3 1HG1 VAL 3 0.568 -1.485 3.675 18 HG12 VAL 3 2HG1 VAL 3 -0.943 -2.237 3.169 19 HG13 VAL 3 3HG1 VAL 3 -0.876 -1.319 4.675 20 HG21 VAL 3 1HG2 VAL 3 -0.752 -0.987 0.963 21 HG22 VAL 3 2HG2 VAL 3 0.758 -0.286 1.559 22 HG23 VAL 3 3HG2 VAL 3 -0.557 0.765 1.019 23 H GLU 4 H GLU 4 -2.242 2.394 3.819 24 HA GLU 4 HA GLU 4 -3.595 3.581 1.500 25 HB2 GLU 4 2HB GLU 4 -3.812 4.390 4.389 26 HB3 GLU 4 1HB GLU 4 -4.589 5.193 3.034 27 HG2 GLU 4 2HG GLU 4 -5.910 3.221 2.586 28 HG3 GLU 4 1HG GLU 4 -5.080 2.350 3.873 29 H CYS 5 H CYS 5 -2.843 5.472 0.754 30 HA CYS 5 HA CYS 5 -0.862 6.905 2.300 31 HB2 CYS 5 2HB CYS 5 0.461 5.506 0.734 32 HB3 CYS 5 1HB CYS 5 -0.428 6.204 -0.620 33 H DAL 6 H DAL 6 -2.090 8.594 2.657 34 HA DAL 6 HA DAL 6 -2.404 10.593 0.809 35 HB1 DAL 6 1HB DAL 6 -3.730 11.790 2.432 36 HB2 DAL 6 2HB DAL 6 -2.403 10.957 3.238 37 HB3 DAL 6 3HB DAL 6 -4.035 10.304 3.330 38 HA DPR 7 HA DPR 7 -6.889 9.490 -0.218 39 HB2 DPR 7 1HB DPR 7 -8.199 7.437 0.819 40 HB3 DPR 7 2HB DPR 7 -7.932 8.899 1.776 41 HG2 DPR 7 1HG DPR 7 -6.485 6.275 1.853 42 HG3 DPR 7 2HG DPR 7 -7.015 7.293 3.203 43 HD2 DPR 7 1HD DPR 7 -4.445 7.255 2.154 44 HD3 DPR 7 2HD DPR 7 -5.139 8.580 3.105 45 H VAL 8 H VAL 8 -4.315 7.709 -0.808 46 HA VAL 8 HA VAL 8 -5.615 6.217 -2.921 47 HB VAL 8 HB VAL 8 -2.656 6.400 -2.240 48 HG11 VAL 8 1HG1 VAL 8 -2.299 5.563 -4.534 49 HG12 VAL 8 2HG1 VAL 8 -4.042 5.388 -4.720 50 HG13 VAL 8 3HG1 VAL 8 -3.182 4.407 -3.536 51 HG21 VAL 8 1HG2 VAL 8 -4.253 7.902 -4.314 52 HG22 VAL 8 2HG2 VAL 8 -2.502 7.977 -4.113 53 HG23 VAL 8 3HG2 VAL 8 -3.564 8.581 -2.840 54 H LYS 9 H LYS 9 -5.967 4.090 -2.899 55 HA LYS 9 HA LYS 9 -5.307 2.624 -0.461 56 HB2 LYS 9 2HB LYS 9 -7.233 1.970 -2.690 57 HB3 LYS 9 1HB LYS 9 -7.059 1.103 -1.176 58 HG2 LYS 9 2HG LYS 9 -7.829 3.971 -1.319 59 HG3 LYS 9 1HG LYS 9 -9.034 2.670 -1.370 60 HD2 LYS 9 2HD LYS 9 -8.132 1.902 0.833 61 HD3 LYS 9 1HD LYS 9 -7.090 3.329 0.848 62 HE2 LYS 9 2HE LYS 9 -8.963 4.800 0.902 63 HE3 LYS 9 1HE LYS 9 -10.094 3.486 0.603 64 HZ1 LYS 9 1HZ LYS 9 -8.482 3.923 3.076 65 HZ2 LYS 9 2HZ LYS 9 -9.411 2.562 2.784 66 HZ3 LYS 9 3HZ LYS 9 -10.152 4.056 2.916 67 H VAL 10 H VAL 10 -3.529 1.520 -0.681 68 HA VAL 10 HA VAL 10 -2.845 0.414 -3.307 69 HB VAL 10 HB VAL 10 -1.042 0.685 -0.882 70 HG11 VAL 10 1HG1 VAL 10 0.794 0.191 -2.438 71 HG12 VAL 10 2HG1 VAL 10 -0.382 -0.061 -3.729 72 HG13 VAL 10 3HG1 VAL 10 -0.362 -1.138 -2.334 73 HG21 VAL 10 1HG2 VAL 10 0.069 2.513 -2.101 74 HG22 VAL 10 2HG2 VAL 10 -1.618 2.889 -1.751 75 HG23 VAL 10 3HG2 VAL 10 -1.145 2.387 -3.374 76 H CYS 11 H CYS 11 -3.900 -1.447 -3.424 77 HA CYS 11 HA CYS 11 -3.773 -3.239 -1.144 78 HB2 CYS 11 2HB CYS 11 -5.560 -3.306 -3.582 79 HB3 CYS 11 1HB CYS 11 -5.568 -4.505 -2.294 80 H ARG 12 H ARG 12 -2.229 -4.559 -1.122 81 HA ARG 12 HA ARG 12 -1.498 -6.077 -3.470 82 HB2 ARG 12 2HB ARG 12 -0.094 -4.012 -3.303 83 HB3 ARG 12 1HB ARG 12 0.477 -4.606 -1.757 84 HG2 ARG 12 2HG ARG 12 1.638 -6.379 -2.745 85 HG3 ARG 12 1HG ARG 12 0.783 -6.179 -4.288 86 HD2 ARG 12 2HD ARG 12 1.771 -4.048 -4.632 87 HD3 ARG 12 1HD ARG 12 2.423 -4.107 -2.998 88 HE ARG 12 HE ARG 12 3.716 -6.119 -3.964 89 HH11 ARG 12 1HH1 ARG 12 2.857 -3.348 -5.964 90 HH12 ARG 12 2HH1 ARG 12 4.350 -3.311 -6.798 91 HH21 ARG 12 1HH2 ARG 12 5.810 -6.011 -5.054 92 HH22 ARG 12 2HH2 ARG 12 6.029 -4.874 -6.299 93 HA PRO 13 HA PRO 13 -2.394 -9.216 -0.455 94 HB2 PRO 13 2HB PRO 13 -0.159 -10.578 -1.879 95 HB3 PRO 13 1HB PRO 13 -1.739 -11.215 -1.401 96 HG2 PRO 13 2HG PRO 13 -1.337 -10.484 -3.896 97 HG3 PRO 13 1HG PRO 13 -2.857 -10.055 -3.086 98 HD2 PRO 13 2HD PRO 13 -0.519 -8.339 -3.773 99 HD3 PRO 13 1HD PRO 13 -2.251 -7.943 -3.719 100 H ASP 14 H ASP 14 1.051 -8.628 -0.972 101 HA ASP 14 HA ASP 14 1.603 -9.734 1.640 102 HB2 ASP 14 2HB ASP 14 3.391 -8.798 -0.594 103 HB3 ASP 14 1HB ASP 14 4.042 -9.195 0.987 104 HA PRO 15 HA PRO 15 1.067 -5.865 3.702 105 HB2 PRO 15 2HB PRO 15 2.593 -6.487 5.935 106 HB3 PRO 15 1HB PRO 15 0.892 -6.902 5.704 107 HG2 PRO 15 2HG PRO 15 3.330 -8.562 5.243 108 HG3 PRO 15 1HG PRO 15 1.772 -9.030 5.952 109 HD2 PRO 15 2HD PRO 15 2.389 -9.684 3.465 110 HD3 PRO 15 1HD PRO 15 0.742 -9.163 3.887 111 H GLU 16 H GLU 16 4.463 -7.035 4.042 112 HA GLU 16 HA GLU 16 5.560 -4.432 4.519 113 HB2 GLU 16 2HB GLU 16 6.512 -6.855 4.971 114 HB3 GLU 16 1HB GLU 16 7.112 -6.728 3.333 115 HG2 GLU 16 2HG GLU 16 7.798 -4.855 5.579 116 HG3 GLU 16 1HG GLU 16 8.764 -6.236 5.068 117 H GLU 17 H GLU 17 5.373 -6.562 1.855 118 HA GLU 17 HA GLU 17 6.514 -5.272 -0.301 119 HB2 GLU 17 2HB GLU 17 5.444 -7.543 -0.152 120 HB3 GLU 17 1HB GLU 17 3.897 -6.742 -0.291 121 HG2 GLU 17 2HG GLU 17 4.399 -7.622 -2.396 122 HG3 GLU 17 1HG GLU 17 4.664 -5.882 -2.499 123 H ALA 18 H ALA 18 3.129 -4.967 0.855 124 HA ALA 18 HA ALA 18 2.371 -2.948 -0.993 125 HB1 ALA 18 1HB ALA 18 0.309 -2.799 0.225 126 HB2 ALA 18 2HB ALA 18 1.040 -3.533 1.647 127 HB3 ALA 18 3HB ALA 18 0.776 -4.504 0.204 128 H ARG 19 H ARG 19 3.410 -2.865 2.369 129 HA ARG 19 HA ARG 19 3.113 -0.141 2.940 130 HB2 ARG 19 2HB ARG 19 5.196 -2.109 3.885 131 HB3 ARG 19 1HB ARG 19 5.063 -0.481 4.519 132 HG2 ARG 19 2HG ARG 19 2.866 -2.530 4.633 133 HG3 ARG 19 1HG ARG 19 4.018 -2.224 5.933 134 HD2 ARG 19 2HD ARG 19 2.079 -0.225 4.769 135 HD3 ARG 19 1HD ARG 19 1.922 -1.044 6.320 136 HE ARG 19 HE ARG 19 4.168 0.773 5.699 137 HH11 ARG 19 1HH1 ARG 19 1.660 -0.323 7.954 138 HH12 ARG 19 2HH1 ARG 19 2.107 0.772 9.168 139 HH21 ARG 19 1HH2 ARG 19 4.753 2.227 7.330 140 HH22 ARG 19 2HH2 ARG 19 3.926 2.280 8.809 141 H ARG 20 H ARG 20 5.766 -1.875 1.507 142 HA ARG 20 HA ARG 20 7.714 0.057 1.172 143 HB2 ARG 20 2HB ARG 20 7.825 -2.392 0.732 144 HB3 ARG 20 1HB ARG 20 6.921 -2.120 -0.741 145 HG2 ARG 20 2HG ARG 20 8.737 -0.755 -1.603 146 HG3 ARG 20 1HG ARG 20 9.657 -1.042 -0.117 147 HD2 ARG 20 2HD ARG 20 8.736 -3.081 -2.125 148 HD3 ARG 20 1HD ARG 20 10.401 -2.598 -1.776 149 HE ARG 20 HE ARG 20 9.753 -3.480 0.586 150 HH11 ARG 20 1HH1 ARG 20 9.016 -4.975 -2.536 151 HH12 ARG 20 2HH1 ARG 20 8.665 -6.500 -1.874 152 HH21 ARG 20 1HH2 ARG 20 9.346 -5.621 1.480 153 HH22 ARG 20 2HH2 ARG 20 8.928 -6.893 0.433 154 H GLU 21 H GLU 21 5.107 -0.857 -1.001 155 HA GLU 21 HA GLU 21 5.601 1.016 -3.016 156 HB2 GLU 21 2HB GLU 21 3.113 -0.457 -2.200 157 HB3 GLU 21 1HB GLU 21 3.196 0.571 -3.624 158 HG2 GLU 21 2HG GLU 21 5.011 -1.770 -3.143 159 HG3 GLU 21 1HG GLU 21 3.503 -1.862 -4.057 160 H ALA 22 H ALA 22 3.239 1.057 -0.382 161 HA ALA 22 HA ALA 22 2.064 3.515 -1.032 162 HB1 ALA 22 1HB ALA 22 2.194 2.207 1.667 163 HB2 ALA 22 2HB ALA 22 1.023 1.851 0.396 164 HB3 ALA 22 3HB ALA 22 1.045 3.444 1.154 165 H GLU 23 H GLU 23 4.553 2.802 1.408 166 HA GLU 23 HA GLU 23 4.642 5.481 2.273 167 HB2 GLU 23 2HB GLU 23 6.534 3.194 2.743 168 HB3 GLU 23 1HB GLU 23 6.651 4.758 3.550 169 HG2 GLU 23 2HG GLU 23 4.433 4.470 4.475 170 HG3 GLU 23 1HG GLU 23 4.272 2.924 3.657 171 H GLU 24 H GLU 24 6.337 3.787 -0.217 172 HA GLU 24 HA GLU 24 8.284 5.801 -0.720 173 HB2 GLU 24 2HB GLU 24 8.538 3.570 -1.680 174 HB3 GLU 24 1HB GLU 24 7.037 3.753 -2.570 175 HG2 GLU 24 2HG GLU 24 8.052 5.579 -3.870 176 HG3 GLU 24 1HG GLU 24 9.567 5.329 -3.008 177 H ARG 25 H ARG 25 5.007 5.205 -1.814 178 HA ARG 25 HA ARG 25 4.834 7.316 -3.705 179 HB2 ARG 25 2HB ARG 25 2.642 5.926 -2.157 180 HB3 ARG 25 1HB ARG 25 2.368 7.041 -3.480 181 HG2 ARG 25 2HG ARG 25 3.808 4.409 -3.668 182 HG3 ARG 25 1HG ARG 25 2.142 4.698 -4.148 183 HD2 ARG 25 2HD ARG 25 4.579 6.015 -5.356 184 HD3 ARG 25 1HD ARG 25 3.652 4.702 -6.074 185 HE ARG 25 HE ARG 25 2.073 7.000 -5.444 186 HH11 ARG 25 1HH1 ARG 25 4.130 5.512 -7.925 187 HH12 ARG 25 2HH1 ARG 25 3.485 6.430 -9.196 188 HH21 ARG 25 1HH2 ARG 25 1.183 8.257 -7.202 189 HH22 ARG 25 2HH2 ARG 25 1.776 8.022 -8.781 190 H CYS 26 H CYS 26 4.317 7.105 -0.276 191 HA CYS 26 HA CYS 26 3.127 9.651 0.008 192 HB2 CYS 26 2HB CYS 26 4.633 7.989 2.041 193 HB3 CYS 26 1HB CYS 26 3.673 9.412 2.420 194 HN1 NH2 27 HN1 NH2 27 6.304 8.814 1.358 195 HN2 NH2 27 HN2 NH2 27 7.080 10.255 0.819 Start of MODEL 5 1 H1 THR 1 1HT THR 1 -2.980 -6.931 0.920 2 H2 THR 1 2HT THR 1 -4.624 -6.952 0.546 3 H3 THR 1 3HT THR 1 -4.040 -7.962 1.758 4 HA THR 1 HA THR 1 -5.218 -6.067 2.611 5 HB THR 1 HB THR 1 -3.435 -7.000 4.014 6 HG1 THR 1 1HG THR 1 -3.953 -5.374 5.213 7 HG21 THR 1 1HG2 THR 1 -1.565 -5.095 2.591 8 HG22 THR 1 2HG2 THR 1 -1.552 -6.853 2.453 9 HG23 THR 1 3HG2 THR 1 -1.148 -6.085 3.990 10 H CYS 2 H CYS 2 -5.474 -3.817 2.725 11 HA CYS 2 HA CYS 2 -4.075 -2.364 0.601 12 HB2 CYS 2 2HB CYS 2 -6.898 -1.967 1.604 13 HB3 CYS 2 1HB CYS 2 -6.097 -0.961 0.407 14 H VAL 3 H VAL 3 -2.689 -1.023 1.415 15 HA VAL 3 HA VAL 3 -3.224 0.196 4.001 16 HB VAL 3 HB VAL 3 -0.873 1.092 3.837 17 HG11 VAL 3 1HG1 VAL 3 0.270 -1.068 4.153 18 HG12 VAL 3 2HG1 VAL 3 -1.149 -1.894 3.509 19 HG13 VAL 3 3HG1 VAL 3 -1.264 -0.985 5.015 20 HG21 VAL 3 1HG2 VAL 3 -0.644 1.167 1.420 21 HG22 VAL 3 2HG2 VAL 3 -0.771 -0.589 1.335 22 HG23 VAL 3 3HG2 VAL 3 0.626 0.154 2.116 23 H GLU 4 H GLU 4 -3.692 2.337 4.220 24 HA GLU 4 HA GLU 4 -4.235 3.697 1.678 25 HB2 GLU 4 2HB GLU 4 -5.696 3.947 4.309 26 HB3 GLU 4 1HB GLU 4 -6.131 4.717 2.791 27 HG2 GLU 4 2HG GLU 4 -6.642 2.579 1.793 28 HG3 GLU 4 1HG GLU 4 -6.051 1.742 3.222 29 H CYS 5 H CYS 5 -2.642 5.166 1.437 30 HA CYS 5 HA CYS 5 -2.062 6.814 3.768 31 HB2 CYS 5 2HB CYS 5 0.136 7.342 2.665 32 HB3 CYS 5 1HB CYS 5 -0.039 5.661 3.139 33 H DAL 6 H DAL 6 -3.412 8.424 3.625 34 HA DAL 6 HA DAL 6 -2.884 10.540 1.990 35 HB1 DAL 6 1HB DAL 6 -5.501 10.112 3.416 36 HB2 DAL 6 2HB DAL 6 -4.845 11.647 2.853 37 HB3 DAL 6 3HB DAL 6 -4.024 10.757 4.133 38 HA DPR 7 HA DPR 7 -6.342 9.674 -1.106 39 HB2 DPR 7 1HB DPR 7 -7.964 7.572 -1.004 40 HB3 DPR 7 2HB DPR 7 -8.207 8.948 0.080 41 HG2 DPR 7 1HG DPR 7 -6.949 6.284 0.629 42 HG3 DPR 7 2HG DPR 7 -8.058 7.230 1.639 43 HD2 DPR 7 1HD DPR 7 -5.291 7.176 1.931 44 HD3 DPR 7 2HD DPR 7 -6.361 8.452 2.541 45 H VAL 8 H VAL 8 -3.824 7.727 -0.461 46 HA VAL 8 HA VAL 8 -4.030 6.340 -3.016 47 HB VAL 8 HB VAL 8 -1.619 6.745 -1.204 48 HG11 VAL 8 1HG1 VAL 8 -0.283 5.952 -3.102 49 HG12 VAL 8 2HG1 VAL 8 -1.761 5.645 -4.011 50 HG13 VAL 8 3HG1 VAL 8 -1.418 4.719 -2.549 51 HG21 VAL 8 1HG2 VAL 8 -0.838 8.344 -2.902 52 HG22 VAL 8 2HG2 VAL 8 -2.362 8.855 -2.177 53 HG23 VAL 8 3HG2 VAL 8 -2.349 8.133 -3.785 54 H LYS 9 H LYS 9 -4.832 4.333 -2.871 55 HA LYS 9 HA LYS 9 -4.367 2.842 -0.396 56 HB2 LYS 9 2HB LYS 9 -6.369 2.286 -2.581 57 HB3 LYS 9 1HB LYS 9 -6.239 1.442 -1.049 58 HG2 LYS 9 2HG LYS 9 -6.803 3.633 0.076 59 HG3 LYS 9 1HG LYS 9 -7.140 4.271 -1.526 60 HD2 LYS 9 2HD LYS 9 -8.528 1.928 -0.209 61 HD3 LYS 9 1HD LYS 9 -9.209 3.531 -0.478 62 HE2 LYS 9 2HE LYS 9 -9.029 3.170 -2.924 63 HE3 LYS 9 1HE LYS 9 -8.360 1.574 -2.616 64 HZ1 LYS 9 1HZ LYS 9 -10.690 1.451 -3.126 65 HZ2 LYS 9 2HZ LYS 9 -11.078 2.484 -1.859 66 HZ3 LYS 9 3HZ LYS 9 -10.433 0.955 -1.537 67 H VAL 10 H VAL 10 -2.706 1.553 -0.554 68 HA VAL 10 HA VAL 10 -2.106 0.338 -3.143 69 HB VAL 10 HB VAL 10 -0.387 0.466 -0.643 70 HG11 VAL 10 1HG1 VAL 10 0.046 -1.567 -1.939 71 HG12 VAL 10 2HG1 VAL 10 1.400 -0.443 -2.017 72 HG13 VAL 10 3HG1 VAL 10 0.298 -0.590 -3.389 73 HG21 VAL 10 1HG2 VAL 10 1.030 1.970 -1.985 74 HG22 VAL 10 2HG2 VAL 10 -0.582 2.632 -1.714 75 HG23 VAL 10 3HG2 VAL 10 -0.170 1.925 -3.277 76 H CYS 11 H CYS 11 -3.025 -1.517 -3.447 77 HA CYS 11 HA CYS 11 -3.513 -3.265 -1.157 78 HB2 CYS 11 2HB CYS 11 -4.779 -3.272 -3.907 79 HB3 CYS 11 1HB CYS 11 -5.172 -4.375 -2.596 80 H ARG 12 H ARG 12 -2.159 -4.858 -0.899 81 HA ARG 12 HA ARG 12 -1.201 -6.355 -3.201 82 HB2 ARG 12 2HB ARG 12 0.491 -4.486 -2.534 83 HB3 ARG 12 1HB ARG 12 0.719 -5.408 -1.058 84 HG2 ARG 12 2HG ARG 12 2.496 -5.920 -2.566 85 HG3 ARG 12 1HG ARG 12 1.456 -7.338 -2.432 86 HD2 ARG 12 2HD ARG 12 2.066 -6.980 -4.756 87 HD3 ARG 12 1HD ARG 12 0.345 -6.678 -4.553 88 HE ARG 12 HE ARG 12 2.242 -4.447 -4.485 89 HH11 ARG 12 1HH1 ARG 12 -0.414 -6.097 -6.175 90 HH12 ARG 12 2HH1 ARG 12 -0.767 -4.777 -7.195 91 HH21 ARG 12 1HH2 ARG 12 1.810 -2.708 -5.913 92 HH22 ARG 12 2HH2 ARG 12 0.540 -2.800 -7.059 93 HA PRO 13 HA PRO 13 -2.258 -9.561 -0.206 94 HB2 PRO 13 2HB PRO 13 -0.621 -11.583 -1.123 95 HB3 PRO 13 1HB PRO 13 -2.193 -11.187 -1.821 96 HG2 PRO 13 2HG PRO 13 0.540 -10.398 -2.734 97 HG3 PRO 13 1HG PRO 13 -0.856 -10.909 -3.699 98 HD2 PRO 13 2HD PRO 13 -0.163 -8.337 -3.500 99 HD3 PRO 13 1HD PRO 13 -1.869 -8.827 -3.560 100 H ASP 14 H ASP 14 1.020 -8.654 -0.814 101 HA ASP 14 HA ASP 14 1.852 -9.796 1.736 102 HB2 ASP 14 2HB ASP 14 3.534 -8.583 -0.468 103 HB3 ASP 14 1HB ASP 14 4.159 -9.323 1.000 104 HA PRO 15 HA PRO 15 1.054 -5.719 3.381 105 HB2 PRO 15 2HB PRO 15 2.170 -6.186 5.852 106 HB3 PRO 15 1HB PRO 15 0.530 -6.653 5.396 107 HG2 PRO 15 2HG PRO 15 3.024 -8.301 5.451 108 HG3 PRO 15 1HG PRO 15 1.385 -8.736 5.968 109 HD2 PRO 15 2HD PRO 15 2.391 -9.570 3.645 110 HD3 PRO 15 1HD PRO 15 0.678 -9.130 3.797 111 H GLU 16 H GLU 16 4.235 -7.209 3.734 112 HA GLU 16 HA GLU 16 5.627 -4.847 4.437 113 HB2 GLU 16 2HB GLU 16 6.771 -7.195 2.931 114 HB3 GLU 16 1HB GLU 16 7.641 -6.059 3.950 115 HG2 GLU 16 2HG GLU 16 5.628 -8.096 4.877 116 HG3 GLU 16 1HG GLU 16 7.375 -8.217 5.059 117 H GLU 17 H GLU 17 5.036 -6.467 1.369 118 HA GLU 17 HA GLU 17 6.427 -4.758 -0.366 119 HB2 GLU 17 2HB GLU 17 3.928 -6.392 -0.826 120 HB3 GLU 17 1HB GLU 17 4.883 -5.650 -2.100 121 HG2 GLU 17 2HG GLU 17 5.946 -7.702 -0.178 122 HG3 GLU 17 1HG GLU 17 5.289 -8.088 -1.764 123 H ALA 18 H ALA 18 3.042 -4.788 0.678 124 HA ALA 18 HA ALA 18 2.095 -2.587 -0.738 125 HB1 ALA 18 1HB ALA 18 0.281 -2.504 0.885 126 HB2 ALA 18 2HB ALA 18 1.210 -3.502 1.998 127 HB3 ALA 18 3HB ALA 18 0.640 -4.182 0.480 128 H ARG 19 H ARG 19 3.526 -2.757 2.470 129 HA ARG 19 HA ARG 19 3.282 -0.083 3.247 130 HB2 ARG 19 2HB ARG 19 3.896 -1.977 4.711 131 HB3 ARG 19 1HB ARG 19 5.445 -2.061 3.889 132 HG2 ARG 19 2HG ARG 19 6.103 0.058 4.772 133 HG3 ARG 19 1HG ARG 19 4.503 0.313 5.479 134 HD2 ARG 19 2HD ARG 19 6.438 -1.887 6.187 135 HD3 ARG 19 1HD ARG 19 6.090 -0.461 7.165 136 HE ARG 19 HE ARG 19 3.786 -1.272 7.308 137 HH11 ARG 19 1HH1 ARG 19 6.388 -3.618 6.732 138 HH12 ARG 19 2HH1 ARG 19 5.470 -4.966 7.206 139 HH21 ARG 19 1HH2 ARG 19 2.559 -3.142 8.041 140 HH22 ARG 19 2HH2 ARG 19 3.267 -4.689 8.015 141 H ARG 20 H ARG 20 5.919 -1.769 1.587 142 HA ARG 20 HA ARG 20 7.668 0.406 1.389 143 HB2 ARG 20 2HB ARG 20 8.357 -1.914 0.965 144 HB3 ARG 20 1HB ARG 20 7.388 -1.928 -0.503 145 HG2 ARG 20 2HG ARG 20 8.790 -0.055 -1.365 146 HG3 ARG 20 1HG ARG 20 9.845 -0.267 0.033 147 HD2 ARG 20 2HD ARG 20 10.756 -1.463 -1.852 148 HD3 ARG 20 1HD ARG 20 10.178 -2.616 -0.643 149 HE ARG 20 HE ARG 20 8.647 -1.858 -3.030 150 HH11 ARG 20 1HH1 ARG 20 9.869 -4.355 -0.830 151 HH12 ARG 20 2HH1 ARG 20 8.933 -5.606 -1.499 152 HH21 ARG 20 1HH2 ARG 20 7.400 -3.642 -4.022 153 HH22 ARG 20 2HH2 ARG 20 7.565 -5.207 -3.350 154 H GLU 21 H GLU 21 5.306 -0.873 -0.932 155 HA GLU 21 HA GLU 21 5.745 1.030 -2.939 156 HB2 GLU 21 2HB GLU 21 3.331 -0.651 -2.313 157 HB3 GLU 21 1HB GLU 21 3.476 0.322 -3.774 158 HG2 GLU 21 2HG GLU 21 5.468 -1.007 -4.391 159 HG3 GLU 21 1HG GLU 21 5.220 -1.993 -2.950 160 H ALA 22 H ALA 22 3.533 1.005 -0.196 161 HA ALA 22 HA ALA 22 2.057 3.289 -0.779 162 HB1 ALA 22 1HB ALA 22 2.913 2.306 1.939 163 HB2 ALA 22 2HB ALA 22 1.506 1.743 1.036 164 HB3 ALA 22 3HB ALA 22 1.581 3.413 1.600 165 H GLU 23 H GLU 23 5.009 3.030 1.204 166 HA GLU 23 HA GLU 23 5.070 5.878 1.354 167 HB2 GLU 23 2HB GLU 23 7.094 3.889 2.332 168 HB3 GLU 23 1HB GLU 23 7.219 5.629 2.583 169 HG2 GLU 23 2HG GLU 23 4.994 5.569 3.672 170 HG3 GLU 23 1HG GLU 23 5.038 3.815 3.563 171 H GLU 24 H GLU 24 6.081 3.833 -0.992 172 HA GLU 24 HA GLU 24 8.212 5.428 -2.050 173 HB2 GLU 24 2HB GLU 24 7.830 3.007 -2.628 174 HB3 GLU 24 1HB GLU 24 6.396 3.496 -3.517 175 HG2 GLU 24 2HG GLU 24 8.242 3.135 -5.032 176 HG3 GLU 24 1HG GLU 24 7.793 4.839 -5.010 177 H ARG 25 H ARG 25 4.760 5.434 -2.192 178 HA ARG 25 HA ARG 25 4.805 7.638 -4.109 179 HB2 ARG 25 2HB ARG 25 3.187 5.848 -4.559 180 HB3 ARG 25 1HB ARG 25 2.477 6.071 -2.970 181 HG2 ARG 25 2HG ARG 25 1.084 7.079 -4.682 182 HG3 ARG 25 1HG ARG 25 1.741 8.318 -3.614 183 HD2 ARG 25 2HD ARG 25 3.478 8.817 -5.291 184 HD3 ARG 25 1HD ARG 25 2.782 7.595 -6.357 185 HE ARG 25 HE ARG 25 0.846 9.477 -5.545 186 HH11 ARG 25 1HH1 ARG 25 3.561 9.119 -7.815 187 HH12 ARG 25 2HH1 ARG 25 2.953 10.265 -8.912 188 HH21 ARG 25 1HH2 ARG 25 0.024 11.036 -7.119 189 HH22 ARG 25 2HH2 ARG 25 0.908 11.362 -8.523 190 H CYS 26 H CYS 26 3.700 6.820 -0.864 191 HA CYS 26 HA CYS 26 3.105 9.610 -0.286 192 HB2 CYS 26 2HB CYS 26 2.634 7.122 1.375 193 HB3 CYS 26 1HB CYS 26 1.977 8.729 1.677 194 HN1 NH2 27 HN1 NH2 27 5.201 10.400 -0.094 195 HN2 NH2 27 HN2 NH2 27 6.256 9.975 1.206 Start of MODEL 6 1 H1 THR 1 1HT THR 1 -2.920 -7.381 0.563 2 H2 THR 1 2HT THR 1 -4.566 -7.395 0.146 3 H3 THR 1 3HT THR 1 -3.995 -8.478 1.291 4 HA THR 1 HA THR 1 -5.231 -6.658 2.216 5 HB THR 1 HB THR 1 -3.507 -7.750 3.600 6 HG1 THR 1 1HG THR 1 -3.207 -6.059 5.061 7 HG21 THR 1 1HG2 THR 1 -1.538 -7.367 2.188 8 HG22 THR 1 2HG2 THR 1 -1.250 -6.773 3.824 9 HG23 THR 1 3HG2 THR 1 -1.622 -5.640 2.526 10 H CYS 2 H CYS 2 -5.511 -4.467 2.509 11 HA CYS 2 HA CYS 2 -4.081 -2.808 0.550 12 HB2 CYS 2 2HB CYS 2 -6.872 -2.425 1.658 13 HB3 CYS 2 1HB CYS 2 -6.074 -1.383 0.492 14 H VAL 3 H VAL 3 -3.071 -1.046 1.228 15 HA VAL 3 HA VAL 3 -3.589 -0.165 3.961 16 HB VAL 3 HB VAL 3 -1.261 0.547 4.209 17 HG11 VAL 3 1HG1 VAL 3 -1.395 -2.319 3.317 18 HG12 VAL 3 2HG1 VAL 3 -1.678 -1.698 4.945 19 HG13 VAL 3 3HG1 VAL 3 -0.071 -1.603 4.231 20 HG21 VAL 3 1HG2 VAL 3 0.465 0.008 2.551 21 HG22 VAL 3 2HG2 VAL 3 -0.758 1.111 1.912 22 HG23 VAL 3 3HG2 VAL 3 -0.791 -0.595 1.468 23 H GLU 4 H GLU 4 -3.495 2.124 4.224 24 HA GLU 4 HA GLU 4 -3.765 3.546 1.686 25 HB2 GLU 4 2HB GLU 4 -5.364 3.933 4.209 26 HB3 GLU 4 1HB GLU 4 -5.458 4.960 2.784 27 HG2 GLU 4 2HG GLU 4 -6.221 3.066 1.461 28 HG3 GLU 4 1HG GLU 4 -6.112 2.031 2.877 29 H CYS 5 H CYS 5 -2.609 5.252 1.454 30 HA CYS 5 HA CYS 5 -1.466 6.616 3.768 31 HB2 CYS 5 2HB CYS 5 0.247 5.040 3.004 32 HB3 CYS 5 1HB CYS 5 0.081 5.626 1.355 33 H DAL 6 H DAL 6 -2.311 8.549 3.546 34 HA DAL 6 HA DAL 6 -1.517 10.306 1.573 35 HB1 DAL 6 1HB DAL 6 -2.234 10.996 3.816 36 HB2 DAL 6 2HB DAL 6 -3.903 10.668 3.359 37 HB3 DAL 6 3HB DAL 6 -3.001 11.943 2.538 38 HA DPR 7 HA DPR 7 -5.634 9.967 -0.856 39 HB2 DPR 7 1HB DPR 7 -7.439 8.091 -0.337 40 HB3 DPR 7 2HB DPR 7 -7.335 9.534 0.683 41 HG2 DPR 7 1HG DPR 7 -6.168 6.802 1.148 42 HG3 DPR 7 2HG DPR 7 -7.152 7.783 2.249 43 HD2 DPR 7 1HD DPR 7 -4.444 7.713 2.377 44 HD3 DPR 7 2HD DPR 7 -5.386 9.156 2.800 45 H VAL 8 H VAL 8 -3.281 7.822 -0.469 46 HA VAL 8 HA VAL 8 -3.884 6.463 -2.941 47 HB VAL 8 HB VAL 8 -1.375 6.338 -1.233 48 HG11 VAL 8 1HG1 VAL 8 -1.631 4.364 -2.638 49 HG12 VAL 8 2HG1 VAL 8 -0.304 5.377 -3.205 50 HG13 VAL 8 3HG1 VAL 8 -1.846 5.389 -4.060 51 HG21 VAL 8 1HG2 VAL 8 -0.365 7.808 -2.927 52 HG22 VAL 8 2HG2 VAL 8 -1.723 8.580 -2.110 53 HG23 VAL 8 3HG2 VAL 8 -1.926 7.933 -3.738 54 H LYS 9 H LYS 9 -4.858 4.613 -2.909 55 HA LYS 9 HA LYS 9 -4.798 2.920 -0.505 56 HB2 LYS 9 2HB LYS 9 -6.677 2.922 -2.878 57 HB3 LYS 9 1HB LYS 9 -6.797 1.863 -1.487 58 HG2 LYS 9 2HG LYS 9 -7.398 3.697 -0.064 59 HG3 LYS 9 1HG LYS 9 -7.047 4.863 -1.344 60 HD2 LYS 9 2HD LYS 9 -8.836 3.899 -2.704 61 HD3 LYS 9 1HD LYS 9 -9.174 2.730 -1.435 62 HE2 LYS 9 2HE LYS 9 -9.346 5.713 -1.062 63 HE3 LYS 9 1HE LYS 9 -10.715 4.706 -1.516 64 HZ1 LYS 9 1HZ LYS 9 -10.442 3.487 0.556 65 HZ2 LYS 9 2HZ LYS 9 -10.672 5.132 0.840 66 HZ3 LYS 9 3HZ LYS 9 -9.154 4.471 1.028 67 H VAL 10 H VAL 10 -3.227 1.416 -0.756 68 HA VAL 10 HA VAL 10 -2.989 0.262 -3.416 69 HB VAL 10 HB VAL 10 -1.019 1.625 -3.057 70 HG11 VAL 10 1HG1 VAL 10 -1.008 1.746 -0.646 71 HG12 VAL 10 2HG1 VAL 10 0.568 1.237 -1.255 72 HG13 VAL 10 3HG1 VAL 10 -0.531 0.051 -0.550 73 HG21 VAL 10 1HG2 VAL 10 -0.350 -1.288 -2.741 74 HG22 VAL 10 2HG2 VAL 10 0.758 -0.038 -3.308 75 HG23 VAL 10 3HG2 VAL 10 -0.671 -0.448 -4.256 76 H CYS 11 H CYS 11 -3.042 -1.859 -3.613 77 HA CYS 11 HA CYS 11 -3.312 -3.421 -1.149 78 HB2 CYS 11 2HB CYS 11 -4.758 -3.830 -3.768 79 HB3 CYS 11 1HB CYS 11 -4.995 -4.732 -2.274 80 H ARG 12 H ARG 12 -1.902 -4.984 -0.954 81 HA ARG 12 HA ARG 12 -0.787 -6.306 -3.310 82 HB2 ARG 12 2HB ARG 12 0.867 -5.249 -0.985 83 HB3 ARG 12 1HB ARG 12 1.478 -6.278 -2.256 84 HG2 ARG 12 2HG ARG 12 0.434 -3.476 -2.606 85 HG3 ARG 12 1HG ARG 12 2.131 -3.937 -2.563 86 HD2 ARG 12 2HD ARG 12 1.768 -5.322 -4.579 87 HD3 ARG 12 1HD ARG 12 0.088 -4.786 -4.623 88 HE ARG 12 HE ARG 12 2.460 -3.128 -5.040 89 HH11 ARG 12 1HH1 ARG 12 -1.044 -3.611 -5.442 90 HH12 ARG 12 2HH1 ARG 12 -1.263 -2.225 -6.392 91 HH21 ARG 12 1HH2 ARG 12 2.116 -1.154 -6.263 92 HH22 ARG 12 2HH2 ARG 12 0.554 -0.792 -6.853 93 HA PRO 13 HA PRO 13 -1.633 -9.950 -0.877 94 HB2 PRO 13 2HB PRO 13 1.101 -10.896 -1.580 95 HB3 PRO 13 1HB PRO 13 -0.450 -11.709 -1.809 96 HG2 PRO 13 2HG PRO 13 0.799 -10.648 -3.887 97 HG3 PRO 13 1HG PRO 13 -0.959 -10.480 -3.720 98 HD2 PRO 13 2HD PRO 13 1.190 -8.467 -3.172 99 HD3 PRO 13 1HD PRO 13 -0.395 -8.254 -3.939 100 H ASP 14 H ASP 14 1.802 -9.040 -0.583 101 HA ASP 14 HA ASP 14 1.672 -9.776 2.217 102 HB2 ASP 14 2HB ASP 14 4.032 -8.970 0.508 103 HB3 ASP 14 1HB ASP 14 4.141 -9.384 2.215 104 HA PRO 15 HA PRO 15 0.931 -5.665 3.600 105 HB2 PRO 15 2HB PRO 15 2.104 -5.864 6.086 106 HB3 PRO 15 1HB PRO 15 0.487 -6.464 5.702 107 HG2 PRO 15 2HG PRO 15 3.079 -7.955 5.826 108 HG3 PRO 15 1HG PRO 15 1.490 -8.435 6.443 109 HD2 PRO 15 2HD PRO 15 2.437 -9.424 4.158 110 HD3 PRO 15 1HD PRO 15 0.712 -9.020 4.325 111 H GLU 16 H GLU 16 4.109 -7.062 3.847 112 HA GLU 16 HA GLU 16 5.608 -4.748 4.398 113 HB2 GLU 16 2HB GLU 16 6.420 -7.185 2.830 114 HB3 GLU 16 1HB GLU 16 7.520 -6.001 3.520 115 HG2 GLU 16 2HG GLU 16 6.701 -6.603 5.757 116 HG3 GLU 16 1HG GLU 16 5.686 -7.846 5.025 117 H GLU 17 H GLU 17 4.740 -6.312 1.370 118 HA GLU 17 HA GLU 17 6.054 -4.545 -0.373 119 HB2 GLU 17 2HB GLU 17 5.222 -6.820 -0.946 120 HB3 GLU 17 1HB GLU 17 3.582 -6.208 -0.850 121 HG2 GLU 17 2HG GLU 17 4.346 -6.374 -3.154 122 HG3 GLU 17 1HG GLU 17 4.011 -4.704 -2.699 123 H ALA 18 H ALA 18 2.776 -4.714 0.866 124 HA ALA 18 HA ALA 18 1.662 -2.568 -0.528 125 HB1 ALA 18 1HB ALA 18 0.337 -4.221 0.725 126 HB2 ALA 18 2HB ALA 18 -0.085 -2.572 1.176 127 HB3 ALA 18 3HB ALA 18 0.936 -3.543 2.238 128 H ARG 19 H ARG 19 3.215 -2.649 2.658 129 HA ARG 19 HA ARG 19 3.016 0.054 3.319 130 HB2 ARG 19 2HB ARG 19 5.071 -2.012 4.003 131 HB3 ARG 19 1HB ARG 19 5.164 -0.376 4.612 132 HG2 ARG 19 2HG ARG 19 3.011 -0.681 5.732 133 HG3 ARG 19 1HG ARG 19 2.941 -2.338 5.115 134 HD2 ARG 19 2HD ARG 19 3.808 -2.223 7.434 135 HD3 ARG 19 1HD ARG 19 4.958 -2.907 6.282 136 HE ARG 19 HE ARG 19 5.416 -0.161 6.467 137 HH11 ARG 19 1HH1 ARG 19 5.846 -3.049 8.461 138 HH12 ARG 19 2HH1 ARG 19 7.122 -2.403 9.380 139 HH21 ARG 19 1HH2 ARG 19 7.168 0.713 7.677 140 HH22 ARG 19 2HH2 ARG 19 7.888 -0.196 8.931 141 H ARG 20 H ARG 20 5.585 -1.680 1.631 142 HA ARG 20 HA ARG 20 7.290 0.506 1.322 143 HB2 ARG 20 2HB ARG 20 8.125 -1.746 1.074 144 HB3 ARG 20 1HB ARG 20 7.073 -2.032 -0.300 145 HG2 ARG 20 2HG ARG 20 8.919 0.237 -0.604 146 HG3 ARG 20 1HG ARG 20 9.683 -1.345 -0.479 147 HD2 ARG 20 2HD ARG 20 7.474 -0.665 -2.417 148 HD3 ARG 20 1HD ARG 20 9.194 -0.655 -2.811 149 HE ARG 20 HE ARG 20 7.477 -2.951 -2.475 150 HH11 ARG 20 1HH1 ARG 20 10.822 -1.797 -2.763 151 HH12 ARG 20 2HH1 ARG 20 11.477 -3.367 -2.929 152 HH21 ARG 20 1HH2 ARG 20 8.415 -5.086 -2.702 153 HH22 ARG 20 2HH2 ARG 20 10.107 -5.256 -2.877 154 H GLU 21 H GLU 21 4.832 -0.778 -0.851 155 HA GLU 21 HA GLU 21 5.180 1.052 -2.914 156 HB2 GLU 21 2HB GLU 21 2.738 -0.403 -1.938 157 HB3 GLU 21 1HB GLU 21 2.732 0.627 -3.363 158 HG2 GLU 21 2HG GLU 21 4.592 -1.703 -3.038 159 HG3 GLU 21 1HG GLU 21 2.995 -1.830 -3.775 160 H ALA 22 H ALA 22 3.112 1.205 -0.053 161 HA ALA 22 HA ALA 22 1.810 3.598 -0.578 162 HB1 ALA 22 1HB ALA 22 1.281 3.655 1.783 163 HB2 ALA 22 2HB ALA 22 2.549 2.474 2.111 164 HB3 ALA 22 3HB ALA 22 1.139 2.010 1.158 165 H GLU 23 H GLU 23 4.780 3.090 1.341 166 HA GLU 23 HA GLU 23 5.068 5.836 1.967 167 HB2 GLU 23 2HB GLU 23 7.358 5.285 2.686 168 HB3 GLU 23 1HB GLU 23 6.172 4.177 3.352 169 HG2 GLU 23 2HG GLU 23 6.797 2.484 1.771 170 HG3 GLU 23 1HG GLU 23 7.890 3.598 0.953 171 H GLU 24 H GLU 24 6.223 3.951 -0.762 172 HA GLU 24 HA GLU 24 7.871 6.082 -1.685 173 HB2 GLU 24 2HB GLU 24 6.769 3.734 -3.188 174 HB3 GLU 24 1HB GLU 24 7.968 4.852 -3.824 175 HG2 GLU 24 2HG GLU 24 9.431 4.174 -1.888 176 HG3 GLU 24 1HG GLU 24 8.260 2.894 -1.567 177 H ARG 25 H ARG 25 4.547 5.146 -2.172 178 HA ARG 25 HA ARG 25 4.059 6.952 -4.320 179 HB2 ARG 25 2HB ARG 25 2.060 5.913 -2.294 180 HB3 ARG 25 1HB ARG 25 1.663 6.723 -3.790 181 HG2 ARG 25 2HG ARG 25 2.869 3.980 -3.452 182 HG3 ARG 25 1HG ARG 25 1.257 4.364 -4.028 183 HD2 ARG 25 2HD ARG 25 2.303 3.937 -6.005 184 HD3 ARG 25 1HD ARG 25 2.609 5.666 -5.875 185 HE ARG 25 HE ARG 25 4.591 3.730 -4.923 186 HH11 ARG 25 1HH1 ARG 25 3.783 6.426 -7.094 187 HH12 ARG 25 2HH1 ARG 25 5.313 6.481 -7.811 188 HH21 ARG 25 1HH2 ARG 25 6.650 3.790 -5.937 189 HH22 ARG 25 2HH2 ARG 25 6.997 4.934 -7.163 190 H CYS 26 H CYS 26 3.839 7.176 -0.841 191 HA CYS 26 HA CYS 26 2.923 9.896 -0.875 192 HB2 CYS 26 2HB CYS 26 3.825 8.052 1.325 193 HB3 CYS 26 1HB CYS 26 3.222 9.669 1.633 194 HN1 NH2 27 HN1 NH2 27 4.500 11.037 -1.930 195 HN2 NH2 27 HN2 NH2 27 6.070 11.336 -1.267 Start of MODEL 7 1 H1 THR 1 1HT THR 1 -2.822 -6.403 3.179 2 H2 THR 1 2HT THR 1 -3.958 -7.652 3.400 3 H3 THR 1 3HT THR 1 -4.403 -6.061 3.672 4 HA THR 1 HA THR 1 -3.644 -7.283 1.101 5 HB THR 1 HB THR 1 -6.312 -6.141 1.924 6 HG1 THR 1 1HG THR 1 -5.593 -8.911 1.904 7 HG21 THR 1 1HG2 THR 1 -5.478 -8.057 -0.270 8 HG22 THR 1 2HG2 THR 1 -5.887 -6.357 -0.490 9 HG23 THR 1 3HG2 THR 1 -7.123 -7.500 0.035 10 H CYS 2 H CYS 2 -5.185 -4.335 2.551 11 HA CYS 2 HA CYS 2 -3.757 -2.828 0.486 12 HB2 CYS 2 2HB CYS 2 -6.548 -2.320 1.528 13 HB3 CYS 2 1HB CYS 2 -5.684 -1.310 0.375 14 H VAL 3 H VAL 3 -2.914 -0.899 1.091 15 HA VAL 3 HA VAL 3 -3.314 -0.101 3.871 16 HB VAL 3 HB VAL 3 -1.023 0.863 3.895 17 HG11 VAL 3 1HG1 VAL 3 -1.052 -2.076 3.251 18 HG12 VAL 3 2HG1 VAL 3 -1.327 -1.343 4.831 19 HG13 VAL 3 3HG1 VAL 3 0.257 -1.218 4.064 20 HG21 VAL 3 1HG2 VAL 3 0.613 0.236 2.158 21 HG22 VAL 3 2HG2 VAL 3 -0.695 1.234 1.523 22 HG23 VAL 3 3HG2 VAL 3 -0.693 -0.504 1.228 23 H GLU 4 H GLU 4 -3.950 1.888 4.146 24 HA GLU 4 HA GLU 4 -4.357 3.513 1.782 25 HB2 GLU 4 2HB GLU 4 -5.385 3.957 4.600 26 HB3 GLU 4 1HB GLU 4 -5.854 4.865 3.176 27 HG2 GLU 4 2HG GLU 4 -7.652 3.461 3.407 28 HG3 GLU 4 1HG GLU 4 -6.650 2.521 2.312 29 H CYS 5 H CYS 5 -2.855 4.946 1.313 30 HA CYS 5 HA CYS 5 -1.618 6.401 3.536 31 HB2 CYS 5 2HB CYS 5 0.009 4.743 2.625 32 HB3 CYS 5 1HB CYS 5 -0.166 5.485 1.037 33 H DAL 6 H DAL 6 -2.183 8.429 3.381 34 HA DAL 6 HA DAL 6 -1.825 10.051 1.173 35 HB1 DAL 6 1HB DAL 6 -3.078 11.758 2.334 36 HB2 DAL 6 2HB DAL 6 -2.050 10.897 3.477 37 HB3 DAL 6 3HB DAL 6 -3.778 10.560 3.419 38 HA DPR 7 HA DPR 7 -6.407 9.509 -0.166 39 HB2 DPR 7 1HB DPR 7 -7.501 7.123 1.092 40 HB3 DPR 7 2HB DPR 7 -8.112 8.779 1.154 41 HG2 DPR 7 1HG DPR 7 -7.074 7.532 3.318 42 HG3 DPR 7 2HG DPR 7 -6.932 9.281 3.065 43 HD2 DPR 7 1HD DPR 7 -4.926 7.125 2.493 44 HD3 DPR 7 2HD DPR 7 -4.691 8.680 3.317 45 H VAL 8 H VAL 8 -3.889 7.547 -0.397 46 HA VAL 8 HA VAL 8 -4.967 6.245 -2.740 47 HB VAL 8 HB VAL 8 -2.117 6.339 -1.709 48 HG11 VAL 8 1HG1 VAL 8 -1.476 5.677 -3.980 49 HG12 VAL 8 2HG1 VAL 8 -3.177 5.543 -4.420 50 HG13 VAL 8 3HG1 VAL 8 -2.493 4.456 -3.211 51 HG21 VAL 8 1HG2 VAL 8 -1.746 8.052 -3.436 52 HG22 VAL 8 2HG2 VAL 8 -2.919 8.572 -2.227 53 HG23 VAL 8 3HG2 VAL 8 -3.469 8.029 -3.811 54 H LYS 9 H LYS 9 -5.630 4.205 -2.708 55 HA LYS 9 HA LYS 9 -4.914 2.504 -0.461 56 HB2 LYS 9 2HB LYS 9 -6.763 1.946 -2.792 57 HB3 LYS 9 1HB LYS 9 -6.507 0.885 -1.424 58 HG2 LYS 9 2HG LYS 9 -7.461 2.681 0.036 59 HG3 LYS 9 1HG LYS 9 -7.868 3.570 -1.436 60 HD2 LYS 9 2HD LYS 9 -9.160 1.595 -2.223 61 HD3 LYS 9 1HD LYS 9 -8.815 0.799 -0.694 62 HE2 LYS 9 2HE LYS 9 -11.014 1.724 -0.560 63 HE3 LYS 9 1HE LYS 9 -9.947 2.684 0.464 64 HZ1 LYS 9 1HZ LYS 9 -9.840 4.351 -1.315 65 HZ2 LYS 9 2HZ LYS 9 -11.430 4.082 -0.833 66 HZ3 LYS 9 3HZ LYS 9 -10.869 3.418 -2.260 67 H VAL 10 H VAL 10 -3.091 1.460 -0.642 68 HA VAL 10 HA VAL 10 -2.258 0.472 -3.278 69 HB VAL 10 HB VAL 10 -0.641 0.692 -0.711 70 HG11 VAL 10 1HG1 VAL 10 0.140 -1.112 -2.154 71 HG12 VAL 10 2HG1 VAL 10 1.294 0.222 -2.113 72 HG13 VAL 10 3HG1 VAL 10 0.242 0.011 -3.513 73 HG21 VAL 10 1HG2 VAL 10 0.543 2.533 -1.825 74 HG22 VAL 10 2HG2 VAL 10 -1.169 2.897 -1.607 75 HG23 VAL 10 3HG2 VAL 10 -0.564 2.413 -3.191 76 H CYS 11 H CYS 11 -2.611 -1.651 -3.640 77 HA CYS 11 HA CYS 11 -3.092 -3.317 -1.290 78 HB2 CYS 11 2HB CYS 11 -4.438 -3.518 -3.983 79 HB3 CYS 11 1HB CYS 11 -4.727 -4.569 -2.600 80 H ARG 12 H ARG 12 -2.086 -5.147 -1.097 81 HA ARG 12 HA ARG 12 -0.914 -6.561 -3.276 82 HB2 ARG 12 2HB ARG 12 0.750 -4.689 -2.620 83 HB3 ARG 12 1HB ARG 12 0.877 -5.499 -1.069 84 HG2 ARG 12 2HG ARG 12 2.744 -6.095 -2.435 85 HG3 ARG 12 1HG ARG 12 1.710 -7.513 -2.230 86 HD2 ARG 12 2HD ARG 12 2.455 -7.329 -4.537 87 HD3 ARG 12 1HD ARG 12 0.714 -7.074 -4.425 88 HE ARG 12 HE ARG 12 2.280 -4.653 -4.360 89 HH11 ARG 12 1HH1 ARG 12 0.596 -6.949 -6.485 90 HH12 ARG 12 2HH1 ARG 12 0.512 -5.865 -7.798 91 HH21 ARG 12 1HH2 ARG 12 2.174 -3.217 -6.094 92 HH22 ARG 12 2HH2 ARG 12 1.440 -3.643 -7.578 93 HA PRO 13 HA PRO 13 -2.221 -9.682 -0.195 94 HB2 PRO 13 2HB PRO 13 -0.118 -11.318 -1.541 95 HB3 PRO 13 1HB PRO 13 -1.807 -11.723 -1.212 96 HG2 PRO 13 2HG PRO 13 -1.053 -11.087 -3.668 97 HG3 PRO 13 1HG PRO 13 -2.591 -10.485 -3.021 98 HD2 PRO 13 2HD PRO 13 0.007 -9.043 -3.378 99 HD3 PRO 13 1HD PRO 13 -1.653 -8.473 -3.645 100 H ASP 14 H ASP 14 0.901 -8.505 -0.657 101 HA ASP 14 HA ASP 14 1.874 -9.584 1.885 102 HB2 ASP 14 2HB ASP 14 3.444 -8.274 -0.351 103 HB3 ASP 14 1HB ASP 14 4.122 -9.003 1.099 104 HA PRO 15 HA PRO 15 0.578 -5.395 3.025 105 HB2 PRO 15 2HB PRO 15 1.262 -5.613 5.673 106 HB3 PRO 15 1HB PRO 15 -0.257 -6.204 4.991 107 HG2 PRO 15 2HG PRO 15 2.264 -7.689 5.568 108 HG3 PRO 15 1HG PRO 15 0.595 -8.175 5.906 109 HD2 PRO 15 2HD PRO 15 1.928 -9.160 3.834 110 HD3 PRO 15 1HD PRO 15 0.201 -8.771 3.683 111 H GLU 16 H GLU 16 3.706 -6.807 3.883 112 HA GLU 16 HA GLU 16 4.974 -4.385 4.573 113 HB2 GLU 16 2HB GLU 16 5.932 -6.560 5.160 114 HB3 GLU 16 1HB GLU 16 6.149 -6.930 3.453 115 HG2 GLU 16 2HG GLU 16 7.718 -5.093 3.254 116 HG3 GLU 16 1HG GLU 16 7.517 -4.740 4.970 117 H GLU 17 H GLU 17 4.719 -6.164 1.534 118 HA GLU 17 HA GLU 17 6.265 -4.372 -0.014 119 HB2 GLU 17 2HB GLU 17 4.110 -6.315 -0.836 120 HB3 GLU 17 1HB GLU 17 5.155 -5.462 -1.963 121 HG2 GLU 17 2HG GLU 17 6.100 -7.365 0.165 122 HG3 GLU 17 1HG GLU 17 5.858 -7.789 -1.527 123 H ALA 18 H ALA 18 2.845 -4.585 0.746 124 HA ALA 18 HA ALA 18 1.908 -2.551 -0.943 125 HB1 ALA 18 1HB ALA 18 0.841 -3.319 1.781 126 HB2 ALA 18 2HB ALA 18 0.407 -4.108 0.267 127 HB3 ALA 18 3HB ALA 18 -0.034 -2.425 0.540 128 H ARG 19 H ARG 19 2.945 -2.406 2.453 129 HA ARG 19 HA ARG 19 2.686 0.369 2.861 130 HB2 ARG 19 2HB ARG 19 3.152 -1.423 4.600 131 HB3 ARG 19 1HB ARG 19 4.822 -1.399 4.057 132 HG2 ARG 19 2HG ARG 19 4.679 1.146 4.559 133 HG3 ARG 19 1HG ARG 19 3.292 0.686 5.551 134 HD2 ARG 19 2HD ARG 19 5.199 0.667 6.972 135 HD3 ARG 19 1HD ARG 19 4.790 -1.021 6.640 136 HE ARG 19 HE ARG 19 6.825 0.425 5.104 137 HH11 ARG 19 1HH1 ARG 19 5.944 -2.381 7.097 138 HH12 ARG 19 2HH1 ARG 19 7.408 -3.205 6.877 139 HH21 ARG 19 1HH2 ARG 19 8.844 -0.728 4.729 140 HH22 ARG 19 2HH2 ARG 19 9.134 -2.230 5.467 141 H ARG 20 H ARG 20 5.366 -1.612 1.776 142 HA ARG 20 HA ARG 20 7.422 0.198 1.466 143 HB2 ARG 20 2HB ARG 20 7.624 -2.214 1.289 144 HB3 ARG 20 1HB ARG 20 6.661 -2.203 -0.170 145 HG2 ARG 20 2HG ARG 20 8.451 -0.985 -1.316 146 HG3 ARG 20 1HG ARG 20 9.421 -1.064 0.164 147 HD2 ARG 20 2HD ARG 20 9.278 -3.497 0.135 148 HD3 ARG 20 1HD ARG 20 8.318 -3.428 -1.337 149 HE ARG 20 HE ARG 20 10.654 -2.079 -1.855 150 HH11 ARG 20 1HH1 ARG 20 9.703 -5.411 -1.003 151 HH12 ARG 20 2HH1 ARG 20 11.093 -6.093 -1.713 152 HH21 ARG 20 1HH2 ARG 20 12.458 -3.066 -2.891 153 HH22 ARG 20 2HH2 ARG 20 12.662 -4.761 -2.850 154 H GLU 21 H GLU 21 5.028 -0.820 -0.972 155 HA GLU 21 HA GLU 21 5.820 0.976 -2.975 156 HB2 GLU 21 2HB GLU 21 3.194 -0.403 -2.459 157 HB3 GLU 21 1HB GLU 21 3.500 0.560 -3.898 158 HG2 GLU 21 2HG GLU 21 5.307 -0.970 -4.511 159 HG3 GLU 21 1HG GLU 21 4.991 -1.918 -3.060 160 H ALA 22 H ALA 22 3.433 1.235 -0.405 161 HA ALA 22 HA ALA 22 2.279 3.674 -1.164 162 HB1 ALA 22 1HB ALA 22 1.280 2.153 0.480 163 HB2 ALA 22 2HB ALA 22 1.421 3.798 1.103 164 HB3 ALA 22 3HB ALA 22 2.563 2.558 1.620 165 H GLU 23 H GLU 23 4.866 3.078 1.222 166 HA GLU 23 HA GLU 23 5.301 5.756 1.926 167 HB2 GLU 23 2HB GLU 23 7.263 3.461 1.916 168 HB3 GLU 23 1HB GLU 23 7.506 4.992 2.740 169 HG2 GLU 23 2HG GLU 23 5.598 4.518 4.183 170 HG3 GLU 23 1HG GLU 23 5.342 2.993 3.336 171 H GLU 24 H GLU 24 6.519 3.882 -0.749 172 HA GLU 24 HA GLU 24 8.567 5.719 -1.527 173 HB2 GLU 24 2HB GLU 24 8.529 3.256 -2.032 174 HB3 GLU 24 1HB GLU 24 7.228 3.554 -3.168 175 HG2 GLU 24 2HG GLU 24 9.340 3.304 -4.325 176 HG3 GLU 24 1HG GLU 24 8.729 4.947 -4.513 177 H ARG 25 H ARG 25 5.202 5.723 -1.845 178 HA ARG 25 HA ARG 25 5.297 7.570 -4.129 179 HB2 ARG 25 2HB ARG 25 2.939 6.075 -2.962 180 HB3 ARG 25 1HB ARG 25 2.870 7.155 -4.354 181 HG2 ARG 25 2HG ARG 25 4.305 5.721 -5.617 182 HG3 ARG 25 1HG ARG 25 4.587 4.699 -4.215 183 HD2 ARG 25 2HD ARG 25 2.154 4.158 -4.219 184 HD3 ARG 25 1HD ARG 25 2.015 5.052 -5.739 185 HE ARG 25 HE ARG 25 3.950 3.444 -6.381 186 HH11 ARG 25 1HH1 ARG 25 0.873 2.676 -4.897 187 HH12 ARG 25 2HH1 ARG 25 0.998 0.994 -5.164 188 HH21 ARG 25 1HH2 ARG 25 4.129 1.182 -6.781 189 HH22 ARG 25 2HH2 ARG 25 2.954 0.092 -6.214 190 H CYS 26 H CYS 26 4.250 7.215 -0.826 191 HA CYS 26 HA CYS 26 3.149 9.851 -0.646 192 HB2 CYS 26 2HB CYS 26 3.867 7.814 1.467 193 HB3 CYS 26 1HB CYS 26 3.037 9.328 1.796 194 HN1 NH2 27 HN1 NH2 27 4.763 11.258 -1.235 195 HN2 NH2 27 HN2 NH2 27 6.178 11.535 -0.279 Start of MODEL 8 1 H1 THR 1 1HT THR 1 -2.332 -7.336 1.373 2 H2 THR 1 2HT THR 1 -3.245 -8.339 2.427 3 H3 THR 1 3HT THR 1 -2.846 -6.763 2.899 4 HA THR 1 HA THR 1 -4.475 -7.537 0.616 5 HB THR 1 HB THR 1 -5.467 -6.322 3.193 6 HG1 THR 1 1HG THR 1 -6.213 -8.834 3.010 7 HG21 THR 1 1HG2 THR 1 -7.630 -7.141 2.347 8 HG22 THR 1 2HG2 THR 1 -6.827 -7.813 0.933 9 HG23 THR 1 3HG2 THR 1 -6.876 -6.067 1.169 10 H CYS 2 H CYS 2 -4.679 -4.649 2.790 11 HA CYS 2 HA CYS 2 -3.803 -3.007 0.558 12 HB2 CYS 2 2HB CYS 2 -6.530 -2.685 1.840 13 HB3 CYS 2 1HB CYS 2 -5.808 -1.576 0.689 14 H VAL 3 H VAL 3 -2.868 -1.166 1.177 15 HA VAL 3 HA VAL 3 -3.122 -0.346 3.980 16 HB VAL 3 HB VAL 3 -0.832 0.552 3.904 17 HG11 VAL 3 1HG1 VAL 3 0.449 -1.542 3.871 18 HG12 VAL 3 2HG1 VAL 3 -0.926 -2.350 3.116 19 HG13 VAL 3 3HG1 VAL 3 -1.076 -1.692 4.744 20 HG21 VAL 3 1HG2 VAL 3 0.683 0.012 2.020 21 HG22 VAL 3 2HG2 VAL 3 -0.647 1.068 1.550 22 HG23 VAL 3 3HG2 VAL 3 -0.699 -0.645 1.142 23 H GLU 4 H GLU 4 -3.068 1.979 4.291 24 HA GLU 4 HA GLU 4 -3.625 3.456 1.834 25 HB2 GLU 4 2HB GLU 4 -5.318 3.541 4.334 26 HB3 GLU 4 1HB GLU 4 -5.518 4.598 2.943 27 HG2 GLU 4 2HG GLU 4 -5.999 2.656 1.540 28 HG3 GLU 4 1HG GLU 4 -5.816 1.602 2.940 29 H CYS 5 H CYS 5 -2.345 5.079 1.671 30 HA CYS 5 HA CYS 5 -1.489 6.513 4.094 31 HB2 CYS 5 2HB CYS 5 0.395 5.222 3.101 32 HB3 CYS 5 1HB CYS 5 0.131 6.047 1.571 33 H DAL 6 H DAL 6 -2.724 8.307 4.019 34 HA DAL 6 HA DAL 6 -2.161 10.370 2.309 35 HB1 DAL 6 1HB DAL 6 -4.016 11.592 3.232 36 HB2 DAL 6 2HB DAL 6 -3.236 10.656 4.506 37 HB3 DAL 6 3HB DAL 6 -4.759 10.106 3.819 38 HA DPR 7 HA DPR 7 -5.848 9.619 -0.610 39 HB2 DPR 7 1HB DPR 7 -7.544 7.593 -0.353 40 HB3 DPR 7 2HB DPR 7 -7.661 9.004 0.708 41 HG2 DPR 7 1HG DPR 7 -6.443 6.314 1.245 42 HG3 DPR 7 2HG DPR 7 -7.503 7.288 2.280 43 HD2 DPR 7 1HD DPR 7 -4.763 7.207 2.515 44 HD3 DPR 7 2HD DPR 7 -5.785 8.548 3.063 45 H VAL 8 H VAL 8 -3.370 7.676 -0.116 46 HA VAL 8 HA VAL 8 -3.629 6.345 -2.676 47 HB VAL 8 HB VAL 8 -1.275 6.458 -0.754 48 HG11 VAL 8 1HG1 VAL 8 -1.154 4.549 -2.252 49 HG12 VAL 8 2HG1 VAL 8 0.076 5.745 -2.667 50 HG13 VAL 8 3HG1 VAL 8 -1.389 5.610 -3.641 51 HG21 VAL 8 1HG2 VAL 8 -1.799 8.097 -3.233 52 HG22 VAL 8 2HG2 VAL 8 -0.325 8.136 -2.264 53 HG23 VAL 8 3HG2 VAL 8 -1.850 8.683 -1.571 54 H LYS 9 H LYS 9 -4.616 4.459 -2.631 55 HA LYS 9 HA LYS 9 -4.356 2.696 -0.297 56 HB2 LYS 9 2HB LYS 9 -6.648 3.352 -1.025 57 HB3 LYS 9 1HB LYS 9 -6.328 2.636 -2.596 58 HG2 LYS 9 2HG LYS 9 -5.914 0.455 -1.340 59 HG3 LYS 9 1HG LYS 9 -6.647 1.251 0.051 60 HD2 LYS 9 2HD LYS 9 -7.939 0.843 -2.649 61 HD3 LYS 9 1HD LYS 9 -8.285 -0.075 -1.190 62 HE2 LYS 9 2HE LYS 9 -8.716 2.900 -1.484 63 HE3 LYS 9 1HE LYS 9 -9.958 1.679 -1.736 64 HZ1 LYS 9 1HZ LYS 9 -8.590 2.324 0.839 65 HZ2 LYS 9 2HZ LYS 9 -9.555 0.973 0.590 66 HZ3 LYS 9 3HZ LYS 9 -10.213 2.503 0.434 67 H VAL 10 H VAL 10 -2.882 1.153 -0.582 68 HA VAL 10 HA VAL 10 -2.384 0.185 -3.313 69 HB VAL 10 HB VAL 10 -0.439 0.185 -0.979 70 HG11 VAL 10 1HG1 VAL 10 -0.148 -1.719 -2.484 71 HG12 VAL 10 2HG1 VAL 10 1.205 -0.599 -2.593 72 HG13 VAL 10 3HG1 VAL 10 -0.025 -0.623 -3.860 73 HG21 VAL 10 1HG2 VAL 10 -0.769 2.429 -1.864 74 HG22 VAL 10 2HG2 VAL 10 -0.461 1.842 -3.499 75 HG23 VAL 10 3HG2 VAL 10 0.831 1.824 -2.299 76 H CYS 11 H CYS 11 -3.094 -1.784 -3.638 77 HA CYS 11 HA CYS 11 -3.404 -3.513 -1.323 78 HB2 CYS 11 2HB CYS 11 -4.927 -3.505 -3.923 79 HB3 CYS 11 1HB CYS 11 -5.145 -4.675 -2.622 80 H ARG 12 H ARG 12 -2.005 -4.980 -1.104 81 HA ARG 12 HA ARG 12 -1.024 -6.564 -3.358 82 HB2 ARG 12 2HB ARG 12 0.795 -5.546 -1.133 83 HB3 ARG 12 1HB ARG 12 1.244 -6.605 -2.440 84 HG2 ARG 12 2HG ARG 12 0.412 -3.741 -2.751 85 HG3 ARG 12 1HG ARG 12 2.069 -4.347 -2.782 86 HD2 ARG 12 2HD ARG 12 1.584 -5.650 -4.750 87 HD3 ARG 12 1HD ARG 12 -0.114 -5.169 -4.672 88 HE ARG 12 HE ARG 12 2.042 -3.221 -5.003 89 HH11 ARG 12 1HH1 ARG 12 -1.018 -4.650 -6.119 90 HH12 ARG 12 2HH1 ARG 12 -1.306 -3.428 -7.276 91 HH21 ARG 12 1HH2 ARG 12 1.571 -1.528 -6.475 92 HH22 ARG 12 2HH2 ARG 12 0.209 -1.606 -7.503 93 HA PRO 13 HA PRO 13 -2.112 -9.873 -0.585 94 HB2 PRO 13 2HB PRO 13 0.560 -11.003 -1.278 95 HB3 PRO 13 1HB PRO 13 -1.025 -11.787 -1.341 96 HG2 PRO 13 2HG PRO 13 0.139 -11.029 -3.578 97 HG3 PRO 13 1HG PRO 13 -1.595 -10.734 -3.344 98 HD2 PRO 13 2HD PRO 13 0.695 -8.827 -3.130 99 HD3 PRO 13 1HD PRO 13 -0.915 -8.579 -3.838 100 H ASP 14 H ASP 14 1.285 -8.961 -0.568 101 HA ASP 14 HA ASP 14 1.513 -9.428 2.265 102 HB2 ASP 14 2HB ASP 14 3.510 -8.453 0.217 103 HB3 ASP 14 1HB ASP 14 3.883 -8.653 1.924 104 HA PRO 15 HA PRO 15 0.099 -5.219 3.013 105 HB2 PRO 15 2HB PRO 15 0.768 -5.224 5.692 106 HB3 PRO 15 1HB PRO 15 -0.746 -5.859 5.042 107 HG2 PRO 15 2HG PRO 15 1.757 -7.310 5.794 108 HG3 PRO 15 1HG PRO 15 0.070 -7.773 6.079 109 HD2 PRO 15 2HD PRO 15 1.512 -8.878 4.143 110 HD3 PRO 15 1HD PRO 15 -0.210 -8.521 3.896 111 H GLU 16 H GLU 16 3.184 -6.404 4.252 112 HA GLU 16 HA GLU 16 4.289 -3.825 4.631 113 HB2 GLU 16 2HB GLU 16 5.618 -6.531 4.450 114 HB3 GLU 16 1HB GLU 16 6.413 -5.050 4.986 115 HG2 GLU 16 2HG GLU 16 4.916 -4.867 6.860 116 HG3 GLU 16 1HG GLU 16 3.990 -6.252 6.297 117 H GLU 17 H GLU 17 4.270 -6.096 1.977 118 HA GLU 17 HA GLU 17 6.141 -4.832 0.289 119 HB2 GLU 17 2HB GLU 17 5.290 -7.076 -0.182 120 HB3 GLU 17 1HB GLU 17 3.663 -6.432 -0.365 121 HG2 GLU 17 2HG GLU 17 4.402 -5.159 -2.316 122 HG3 GLU 17 1HG GLU 17 6.012 -5.850 -2.147 123 H ALA 18 H ALA 18 2.666 -4.555 0.667 124 HA ALA 18 HA ALA 18 2.173 -2.556 -1.224 125 HB1 ALA 18 1HB ALA 18 0.389 -3.904 -0.172 126 HB2 ALA 18 2HB ALA 18 0.083 -2.182 -0.035 127 HB3 ALA 18 3HB ALA 18 0.691 -3.078 1.357 128 H ARG 19 H ARG 19 2.807 -2.381 2.237 129 HA ARG 19 HA ARG 19 2.659 0.351 2.652 130 HB2 ARG 19 2HB ARG 19 2.890 -1.338 4.442 131 HB3 ARG 19 1HB ARG 19 4.562 -1.588 3.971 132 HG2 ARG 19 2HG ARG 19 5.039 0.773 4.531 133 HG3 ARG 19 1HG ARG 19 3.375 0.945 5.090 134 HD2 ARG 19 2HD ARG 19 4.802 0.541 6.988 135 HD3 ARG 19 1HD ARG 19 3.783 -0.873 6.719 136 HE ARG 19 HE ARG 19 6.303 -1.098 5.406 137 HH11 ARG 19 1HH1 ARG 19 4.779 -1.474 8.576 138 HH12 ARG 19 2HH1 ARG 19 5.938 -2.583 9.145 139 HH21 ARG 19 1HH2 ARG 19 7.894 -2.593 6.202 140 HH22 ARG 19 2HH2 ARG 19 7.740 -3.236 7.774 141 H ARG 20 H ARG 20 5.413 -1.571 1.548 142 HA ARG 20 HA ARG 20 7.277 0.516 1.674 143 HB2 ARG 20 2HB ARG 20 7.989 -1.815 1.567 144 HB3 ARG 20 1HB ARG 20 7.336 -1.963 -0.052 145 HG2 ARG 20 2HG ARG 20 9.842 -1.726 0.105 146 HG3 ARG 20 1HG ARG 20 9.035 -0.583 -0.967 147 HD2 ARG 20 2HD ARG 20 10.830 0.410 0.500 148 HD3 ARG 20 1HD ARG 20 9.251 1.180 0.606 149 HE ARG 20 HE ARG 20 9.867 -0.857 2.576 150 HH11 ARG 20 1HH1 ARG 20 9.817 2.601 1.824 151 HH12 ARG 20 2HH1 ARG 20 9.656 3.106 3.442 152 HH21 ARG 20 1HH2 ARG 20 9.584 -0.147 4.839 153 HH22 ARG 20 2HH2 ARG 20 9.468 1.518 5.160 154 H GLU 21 H GLU 21 5.406 -0.624 -1.157 155 HA GLU 21 HA GLU 21 6.527 1.480 -2.721 156 HB2 GLU 21 2HB GLU 21 4.930 0.818 -4.487 157 HB3 GLU 21 1HB GLU 21 5.867 -0.533 -3.877 158 HG2 GLU 21 2HG GLU 21 3.981 -1.318 -2.606 159 HG3 GLU 21 1HG GLU 21 3.059 0.119 -3.058 160 H ALA 22 H ALA 22 3.761 1.175 -0.688 161 HA ALA 22 HA ALA 22 2.310 3.418 -1.554 162 HB1 ALA 22 1HB ALA 22 1.378 1.773 0.023 163 HB2 ALA 22 2HB ALA 22 1.277 3.413 0.664 164 HB3 ALA 22 3HB ALA 22 2.523 2.312 1.250 165 H GLU 23 H GLU 23 4.660 3.103 1.112 166 HA GLU 23 HA GLU 23 4.787 5.815 1.797 167 HB2 GLU 23 2HB GLU 23 6.910 3.681 2.031 168 HB3 GLU 23 1HB GLU 23 7.020 5.267 2.773 169 HG2 GLU 23 2HG GLU 23 4.942 3.174 3.360 170 HG3 GLU 23 1HG GLU 23 6.329 3.576 4.368 171 H GLU 24 H GLU 24 6.382 4.027 -0.697 172 HA GLU 24 HA GLU 24 8.391 5.866 -1.361 173 HB2 GLU 24 2HB GLU 24 8.280 3.462 -2.035 174 HB3 GLU 24 1HB GLU 24 7.023 3.894 -3.184 175 HG2 GLU 24 2HG GLU 24 9.153 3.706 -4.297 176 HG3 GLU 24 1HG GLU 24 8.595 5.379 -4.326 177 H ARG 25 H ARG 25 5.053 5.499 -2.508 178 HA ARG 25 HA ARG 25 5.471 7.782 -4.304 179 HB2 ARG 25 2HB ARG 25 3.179 5.817 -4.210 180 HB3 ARG 25 1HB ARG 25 3.352 7.124 -5.376 181 HG2 ARG 25 2HG ARG 25 5.425 6.102 -6.201 182 HG3 ARG 25 1HG ARG 25 5.221 4.785 -5.049 183 HD2 ARG 25 2HD ARG 25 3.340 5.498 -7.298 184 HD3 ARG 25 1HD ARG 25 4.456 4.143 -7.291 185 HE ARG 25 HE ARG 25 2.035 4.444 -5.682 186 HH11 ARG 25 1HH1 ARG 25 4.722 2.361 -6.705 187 HH12 ARG 25 2HH1 ARG 25 3.894 0.907 -6.322 188 HH21 ARG 25 1HH2 ARG 25 0.944 2.377 -5.181 189 HH22 ARG 25 2HH2 ARG 25 1.829 0.915 -5.447 190 H CYS 26 H CYS 26 4.045 7.027 -1.351 191 HA CYS 26 HA CYS 26 2.089 9.121 -1.351 192 HB2 CYS 26 2HB CYS 26 1.766 7.061 -0.028 193 HB3 CYS 26 1HB CYS 26 3.192 7.441 0.919 194 HN1 NH2 27 HN1 NH2 27 4.912 8.633 0.787 195 HN2 NH2 27 HN2 NH2 27 5.330 10.301 0.857 Start of MODEL 9 1 H1 THR 1 1HT THR 1 -4.210 -5.818 4.116 2 H2 THR 1 2HT THR 1 -2.535 -5.702 3.996 3 H3 THR 1 3HT THR 1 -3.284 -7.224 4.066 4 HA THR 1 HA THR 1 -2.540 -6.768 1.886 5 HB THR 1 HB THR 1 -5.567 -6.654 2.093 6 HG1 THR 1 1HG THR 1 -4.470 -9.130 1.854 7 HG21 THR 1 1HG2 THR 1 -4.690 -6.472 -0.210 8 HG22 THR 1 2HG2 THR 1 -5.503 -8.017 0.043 9 HG23 THR 1 3HG2 THR 1 -3.742 -7.938 0.040 10 H CYS 2 H CYS 2 -5.007 -4.325 2.945 11 HA CYS 2 HA CYS 2 -3.916 -2.587 0.875 12 HB2 CYS 2 2HB CYS 2 -6.711 -2.706 2.002 13 HB3 CYS 2 1HB CYS 2 -6.125 -1.444 0.925 14 H VAL 3 H VAL 3 -3.158 -0.728 1.470 15 HA VAL 3 HA VAL 3 -3.842 0.331 4.093 16 HB VAL 3 HB VAL 3 -1.475 1.298 4.224 17 HG11 VAL 3 1HG1 VAL 3 -2.123 -0.565 5.633 18 HG12 VAL 3 2HG1 VAL 3 -0.460 -0.769 5.070 19 HG13 VAL 3 3HG1 VAL 3 -1.761 -1.698 4.328 20 HG21 VAL 3 1HG2 VAL 3 0.292 0.130 2.970 21 HG22 VAL 3 2HG2 VAL 3 -0.823 0.972 1.893 22 HG23 VAL 3 3HG2 VAL 3 -0.940 -0.776 2.091 23 H GLU 4 H GLU 4 -4.439 2.420 4.061 24 HA GLU 4 HA GLU 4 -4.235 3.778 1.479 25 HB2 GLU 4 2HB GLU 4 -6.183 4.345 3.729 26 HB3 GLU 4 1HB GLU 4 -6.146 5.141 2.173 27 HG2 GLU 4 2HG GLU 4 -7.956 3.636 2.094 28 HG3 GLU 4 1HG GLU 4 -6.676 2.885 1.150 29 H CYS 5 H CYS 5 -2.669 5.180 1.448 30 HA CYS 5 HA CYS 5 -2.190 6.753 3.875 31 HB2 CYS 5 2HB CYS 5 -0.355 5.133 3.430 32 HB3 CYS 5 1HB CYS 5 -0.126 5.860 1.846 33 H DAL 6 H DAL 6 -2.930 8.699 3.480 34 HA DAL 6 HA DAL 6 -1.787 10.442 1.708 35 HB1 DAL 6 1HB DAL 6 -4.549 10.797 2.845 36 HB2 DAL 6 2HB DAL 6 -3.465 12.059 2.267 37 HB3 DAL 6 3HB DAL 6 -3.044 11.127 3.700 38 HA DPR 7 HA DPR 7 -5.089 10.049 -1.646 39 HB2 DPR 7 1HB DPR 7 -7.137 8.349 -1.543 40 HB3 DPR 7 2HB DPR 7 -7.166 9.861 -0.628 41 HG2 DPR 7 1HG DPR 7 -6.612 7.077 0.309 42 HG3 DPR 7 2HG DPR 7 -7.535 8.365 1.103 43 HD2 DPR 7 1HD DPR 7 -4.891 7.700 1.660 44 HD3 DPR 7 2HD DPR 7 -5.675 9.233 2.079 45 H VAL 8 H VAL 8 -3.072 7.807 -0.652 46 HA VAL 8 HA VAL 8 -3.252 6.287 -3.139 47 HB VAL 8 HB VAL 8 -0.963 6.435 -1.150 48 HG11 VAL 8 1HG1 VAL 8 -0.924 4.407 -2.489 49 HG12 VAL 8 2HG1 VAL 8 0.397 5.480 -2.947 50 HG13 VAL 8 3HG1 VAL 8 -1.036 5.362 -3.967 51 HG21 VAL 8 1HG2 VAL 8 -1.345 8.621 -2.147 52 HG22 VAL 8 2HG2 VAL 8 -1.308 7.908 -3.759 53 HG23 VAL 8 3HG2 VAL 8 0.149 7.917 -2.766 54 H LYS 9 H LYS 9 -4.391 4.492 -2.909 55 HA LYS 9 HA LYS 9 -4.156 2.985 -0.427 56 HB2 LYS 9 2HB LYS 9 -6.181 1.748 -1.284 57 HB3 LYS 9 1HB LYS 9 -6.444 3.436 -0.882 58 HG2 LYS 9 2HG LYS 9 -6.406 4.047 -3.230 59 HG3 LYS 9 1HG LYS 9 -6.030 2.385 -3.678 60 HD2 LYS 9 2HD LYS 9 -8.522 3.210 -2.202 61 HD3 LYS 9 1HD LYS 9 -8.445 3.032 -3.954 62 HE2 LYS 9 2HE LYS 9 -7.825 0.686 -3.687 63 HE3 LYS 9 1HE LYS 9 -7.858 0.858 -1.942 64 HZ1 LYS 9 1HZ LYS 9 -10.227 1.308 -2.050 65 HZ2 LYS 9 2HZ LYS 9 -9.877 -0.149 -2.791 66 HZ3 LYS 9 3HZ LYS 9 -10.206 1.195 -3.737 67 H VAL 10 H VAL 10 -2.690 1.507 -0.463 68 HA VAL 10 HA VAL 10 -2.014 0.245 -3.022 69 HB VAL 10 HB VAL 10 -0.436 0.288 -0.435 70 HG11 VAL 10 1HG1 VAL 10 -0.074 -1.720 -1.826 71 HG12 VAL 10 2HG1 VAL 10 1.351 -0.712 -1.663 72 HG13 VAL 10 3HG1 VAL 10 0.419 -0.676 -3.167 73 HG21 VAL 10 1HG2 VAL 10 -0.013 1.799 -3.011 74 HG22 VAL 10 2HG2 VAL 10 1.105 1.766 -1.652 75 HG23 VAL 10 3HG2 VAL 10 -0.497 2.486 -1.458 76 H CYS 11 H CYS 11 -2.679 -1.743 -3.349 77 HA CYS 11 HA CYS 11 -3.251 -3.413 -1.028 78 HB2 CYS 11 2HB CYS 11 -4.696 -3.303 -3.671 79 HB3 CYS 11 1HB CYS 11 -4.974 -4.519 -2.430 80 H ARG 12 H ARG 12 -1.790 -4.896 -0.869 81 HA ARG 12 HA ARG 12 -0.993 -6.409 -3.242 82 HB2 ARG 12 2HB ARG 12 0.891 -5.521 -1.023 83 HB3 ARG 12 1HB ARG 12 1.304 -6.608 -2.324 84 HG2 ARG 12 2HG ARG 12 0.606 -3.690 -2.619 85 HG3 ARG 12 1HG ARG 12 2.228 -4.376 -2.660 86 HD2 ARG 12 2HD ARG 12 -0.007 -4.883 -4.618 87 HD3 ARG 12 1HD ARG 12 1.436 -3.920 -4.906 88 HE ARG 12 HE ARG 12 1.530 -6.824 -4.389 89 HH11 ARG 12 1HH1 ARG 12 2.883 -4.003 -6.035 90 HH12 ARG 12 2HH1 ARG 12 3.599 -4.897 -7.287 91 HH21 ARG 12 1HH2 ARG 12 2.554 -8.068 -6.082 92 HH22 ARG 12 2HH2 ARG 12 3.441 -7.277 -7.299 93 HA PRO 13 HA PRO 13 -2.199 -9.727 -0.501 94 HB2 PRO 13 2HB PRO 13 -0.585 -11.730 -1.491 95 HB3 PRO 13 1HB PRO 13 -2.107 -11.235 -2.236 96 HG2 PRO 13 2HG PRO 13 0.690 -10.479 -2.960 97 HG3 PRO 13 1HG PRO 13 -0.672 -10.874 -4.021 98 HD2 PRO 13 2HD PRO 13 0.088 -8.330 -3.596 99 HD3 PRO 13 1HD PRO 13 -1.617 -8.768 -3.799 100 H ASP 14 H ASP 14 0.992 -8.627 -0.858 101 HA ASP 14 HA ASP 14 1.886 -9.916 1.619 102 HB2 ASP 14 2HB ASP 14 3.425 -8.509 -0.556 103 HB3 ASP 14 1HB ASP 14 4.152 -9.088 0.936 104 HA PRO 15 HA PRO 15 1.048 -5.897 3.458 105 HB2 PRO 15 2HB PRO 15 2.420 -6.347 5.799 106 HB3 PRO 15 1HB PRO 15 0.786 -6.950 5.490 107 HG2 PRO 15 2HG PRO 15 3.403 -8.369 5.206 108 HG3 PRO 15 1HG PRO 15 1.901 -8.944 5.950 109 HD2 PRO 15 2HD PRO 15 2.595 -9.691 3.497 110 HD3 PRO 15 1HD PRO 15 0.895 -9.340 3.879 111 H GLU 16 H GLU 16 4.180 -7.375 3.282 112 HA GLU 16 HA GLU 16 5.779 -5.168 3.922 113 HB2 GLU 16 2HB GLU 16 6.437 -7.552 2.196 114 HB3 GLU 16 1HB GLU 16 7.614 -6.419 2.840 115 HG2 GLU 16 2HG GLU 16 5.835 -8.244 4.442 116 HG3 GLU 16 1HG GLU 16 7.565 -8.438 4.163 117 H GLU 17 H GLU 17 4.817 -6.513 0.806 118 HA GLU 17 HA GLU 17 6.123 -4.639 -0.838 119 HB2 GLU 17 2HB GLU 17 3.605 -6.191 -1.457 120 HB3 GLU 17 1HB GLU 17 4.740 -5.519 -2.616 121 HG2 GLU 17 2HG GLU 17 5.331 -7.744 -0.672 122 HG3 GLU 17 1HG GLU 17 4.977 -7.946 -2.386 123 H ALA 18 H ALA 18 2.929 -4.802 0.604 124 HA ALA 18 HA ALA 18 1.774 -2.612 -0.691 125 HB1 ALA 18 1HB ALA 18 0.447 -4.269 0.527 126 HB2 ALA 18 2HB ALA 18 0.115 -2.641 1.117 127 HB3 ALA 18 3HB ALA 18 1.155 -3.723 2.044 128 H ARG 19 H ARG 19 3.480 -2.836 2.426 129 HA ARG 19 HA ARG 19 3.154 -0.136 3.126 130 HB2 ARG 19 2HB ARG 19 3.841 -1.893 4.753 131 HB3 ARG 19 1HB ARG 19 5.386 -1.994 3.913 132 HG2 ARG 19 2HG ARG 19 5.984 0.224 4.559 133 HG3 ARG 19 1HG ARG 19 4.388 0.513 5.242 134 HD2 ARG 19 2HD ARG 19 6.325 -1.575 6.237 135 HD3 ARG 19 1HD ARG 19 6.151 0.031 6.930 136 HE ARG 19 HE ARG 19 3.648 -1.227 6.850 137 HH11 ARG 19 1HH1 ARG 19 6.733 -1.488 8.579 138 HH12 ARG 19 2HH1 ARG 19 6.076 -2.095 10.010 139 HH21 ARG 19 1HH2 ARG 19 2.708 -2.086 8.834 140 HH22 ARG 19 2HH2 ARG 19 3.724 -2.468 10.148 141 H ARG 20 H ARG 20 5.662 -1.848 1.353 142 HA ARG 20 HA ARG 20 7.582 0.122 1.081 143 HB2 ARG 20 2HB ARG 20 7.914 -2.176 0.313 144 HB3 ARG 20 1HB ARG 20 6.741 -1.927 -0.970 145 HG2 ARG 20 2HG ARG 20 8.279 -0.067 -1.800 146 HG3 ARG 20 1HG ARG 20 9.489 -0.742 -0.707 147 HD2 ARG 20 2HD ARG 20 9.765 -1.661 -2.933 148 HD3 ARG 20 1HD ARG 20 9.240 -2.921 -1.812 149 HE ARG 20 HE ARG 20 7.286 -1.503 -3.470 150 HH11 ARG 20 1HH1 ARG 20 8.995 -4.485 -2.731 151 HH12 ARG 20 2HH1 ARG 20 7.866 -5.535 -3.430 152 HH21 ARG 20 1HH2 ARG 20 5.675 -2.940 -4.569 153 HH22 ARG 20 2HH2 ARG 20 5.966 -4.607 -4.582 154 H GLU 21 H GLU 21 4.958 -0.666 -1.216 155 HA GLU 21 HA GLU 21 5.430 1.543 -2.910 156 HB2 GLU 21 2HB GLU 21 2.983 -0.169 -2.567 157 HB3 GLU 21 1HB GLU 21 3.136 1.065 -3.805 158 HG2 GLU 21 2HG GLU 21 5.086 -0.180 -4.703 159 HG3 GLU 21 1HG GLU 21 4.773 -1.442 -3.511 160 H ALA 22 H ALA 22 3.406 1.087 -0.099 161 HA ALA 22 HA ALA 22 1.751 3.303 -0.339 162 HB1 ALA 22 1HB ALA 22 1.373 3.117 2.048 163 HB2 ALA 22 2HB ALA 22 2.799 2.092 2.211 164 HB3 ALA 22 3HB ALA 22 1.399 1.515 1.308 165 H GLU 23 H GLU 23 4.737 3.074 1.607 166 HA GLU 23 HA GLU 23 4.605 5.896 2.015 167 HB2 GLU 23 2HB GLU 23 6.777 5.657 3.184 168 HB3 GLU 23 1HB GLU 23 5.529 4.585 3.788 169 HG2 GLU 23 2HG GLU 23 6.514 2.755 2.473 170 HG3 GLU 23 1HG GLU 23 7.799 3.853 1.967 171 H GLU 24 H GLU 24 5.835 4.046 -0.489 172 HA GLU 24 HA GLU 24 7.917 5.799 -1.362 173 HB2 GLU 24 2HB GLU 24 7.746 3.413 -2.029 174 HB3 GLU 24 1HB GLU 24 6.288 3.796 -2.922 175 HG2 GLU 24 2HG GLU 24 7.606 5.332 -4.331 176 HG3 GLU 24 1HG GLU 24 9.061 4.794 -3.490 177 H ARG 25 H ARG 25 4.521 5.302 -2.230 178 HA ARG 25 HA ARG 25 4.670 7.639 -3.950 179 HB2 ARG 25 2HB ARG 25 2.668 5.413 -3.784 180 HB3 ARG 25 1HB ARG 25 2.362 6.872 -4.721 181 HG2 ARG 25 2HG ARG 25 4.375 6.450 -6.043 182 HG3 ARG 25 1HG ARG 25 4.693 5.000 -5.095 183 HD2 ARG 25 2HD ARG 25 2.168 5.423 -6.665 184 HD3 ARG 25 1HD ARG 25 3.603 4.669 -7.347 185 HE ARG 25 HE ARG 25 3.394 2.964 -5.641 186 HH11 ARG 25 1HH1 ARG 25 0.472 4.896 -6.302 187 HH12 ARG 25 2HH1 ARG 25 -0.593 3.608 -5.962 188 HH21 ARG 25 1HH2 ARG 25 1.835 1.151 -5.263 189 HH22 ARG 25 2HH2 ARG 25 0.179 1.509 -5.359 190 H CYS 26 H CYS 26 3.604 6.848 -0.886 191 HA CYS 26 HA CYS 26 1.863 9.180 -0.782 192 HB2 CYS 26 2HB CYS 26 0.955 7.204 0.289 193 HB3 CYS 26 1HB CYS 26 2.420 6.986 1.213 194 HN1 NH2 27 HN1 NH2 27 4.138 7.939 1.646 195 HN2 NH2 27 HN2 NH2 27 5.008 9.414 1.823 Start of MODEL 10 1 H1 THR 1 1HT THR 1 -2.053 -6.954 1.559 2 H2 THR 1 2HT THR 1 -2.737 -8.000 2.715 3 H3 THR 1 3HT THR 1 -2.487 -6.369 3.092 4 HA THR 1 HA THR 1 -4.289 -7.389 1.052 5 HB THR 1 HB THR 1 -6.007 -6.293 2.621 6 HG1 THR 1 1HG THR 1 -5.307 -6.279 4.838 7 HG21 THR 1 1HG2 THR 1 -5.776 -8.762 2.323 8 HG22 THR 1 2HG2 THR 1 -6.275 -8.315 3.945 9 HG23 THR 1 3HG2 THR 1 -4.603 -8.778 3.643 10 H CYS 2 H CYS 2 -4.707 -4.459 2.962 11 HA CYS 2 HA CYS 2 -3.828 -2.833 0.726 12 HB2 CYS 2 2HB CYS 2 -6.640 -2.732 1.832 13 HB3 CYS 2 1HB CYS 2 -5.944 -1.542 0.746 14 H VAL 3 H VAL 3 -3.163 -0.844 1.276 15 HA VAL 3 HA VAL 3 -3.678 0.108 3.970 16 HB VAL 3 HB VAL 3 -1.399 1.107 4.080 17 HG11 VAL 3 1HG1 VAL 3 -1.338 -1.868 3.682 18 HG12 VAL 3 2HG1 VAL 3 -1.739 -1.011 5.171 19 HG13 VAL 3 3HG1 VAL 3 -0.105 -0.918 4.512 20 HG21 VAL 3 1HG2 VAL 3 0.371 0.330 2.537 21 HG22 VAL 3 2HG2 VAL 3 -0.864 1.310 1.757 22 HG23 VAL 3 3HG2 VAL 3 -0.873 -0.446 1.548 23 H GLU 4 H GLU 4 -4.081 2.265 4.060 24 HA GLU 4 HA GLU 4 -4.338 3.561 1.457 25 HB2 GLU 4 2HB GLU 4 -6.011 3.760 3.942 26 HB3 GLU 4 1HB GLU 4 -6.158 4.887 2.599 27 HG2 GLU 4 2HG GLU 4 -6.817 3.140 1.119 28 HG3 GLU 4 1HG GLU 4 -6.463 1.913 2.331 29 H CYS 5 H CYS 5 -2.774 4.895 1.205 30 HA CYS 5 HA CYS 5 -1.751 6.324 3.551 31 HB2 CYS 5 2HB CYS 5 -0.137 4.814 2.427 32 HB3 CYS 5 1HB CYS 5 -0.357 5.721 0.937 33 H DAL 6 H DAL 6 -2.745 8.213 3.607 34 HA DAL 6 HA DAL 6 -2.214 10.242 1.819 35 HB1 DAL 6 1HB DAL 6 -3.815 11.600 3.001 36 HB2 DAL 6 2HB DAL 6 -2.909 10.611 4.145 37 HB3 DAL 6 3HB DAL 6 -4.559 10.167 3.711 38 HA DPR 7 HA DPR 7 -6.305 9.686 -0.526 39 HB2 DPR 7 1HB DPR 7 -7.974 7.649 -0.107 40 HB3 DPR 7 2HB DPR 7 -7.975 9.052 0.971 41 HG2 DPR 7 1HG DPR 7 -6.676 6.380 1.326 42 HG3 DPR 7 2HG DPR 7 -7.653 7.297 2.491 43 HD2 DPR 7 1HD DPR 7 -4.911 7.285 2.488 44 HD3 DPR 7 2HD DPR 7 -5.885 8.646 3.078 45 H VAL 8 H VAL 8 -3.735 7.823 -0.447 46 HA VAL 8 HA VAL 8 -4.287 6.647 -3.003 47 HB VAL 8 HB VAL 8 -1.761 6.441 -1.319 48 HG11 VAL 8 1HG1 VAL 8 -0.647 5.816 -3.415 49 HG12 VAL 8 2HG1 VAL 8 -2.199 5.865 -4.251 50 HG13 VAL 8 3HG1 VAL 8 -1.916 4.664 -2.992 51 HG21 VAL 8 1HG2 VAL 8 -0.852 8.187 -2.785 52 HG22 VAL 8 2HG2 VAL 8 -2.261 8.762 -1.893 53 HG23 VAL 8 3HG2 VAL 8 -2.413 8.320 -3.593 54 H LYS 9 H LYS 9 -5.110 4.795 -3.269 55 HA LYS 9 HA LYS 9 -5.523 2.917 -1.106 56 HB2 LYS 9 2HB LYS 9 -7.229 3.653 -2.869 57 HB3 LYS 9 1HB LYS 9 -6.314 2.692 -4.010 58 HG2 LYS 9 2HG LYS 9 -8.216 1.435 -3.302 59 HG3 LYS 9 1HG LYS 9 -6.780 0.690 -2.594 60 HD2 LYS 9 2HD LYS 9 -7.242 1.554 -0.466 61 HD3 LYS 9 1HD LYS 9 -8.390 2.736 -1.095 62 HE2 LYS 9 2HE LYS 9 -9.598 0.990 0.003 63 HE3 LYS 9 1HE LYS 9 -9.886 0.872 -1.724 64 HZ1 LYS 9 1HZ LYS 9 -8.065 -0.834 -0.119 65 HZ2 LYS 9 2HZ LYS 9 -8.280 -0.972 -1.803 66 HZ3 LYS 9 3HZ LYS 9 -9.554 -1.264 -0.759 67 H VAL 10 H VAL 10 -3.630 1.772 -0.722 68 HA VAL 10 HA VAL 10 -2.240 0.679 -3.051 69 HB VAL 10 HB VAL 10 -1.282 0.999 -0.204 70 HG11 VAL 10 1HG1 VAL 10 0.210 0.098 -2.662 71 HG12 VAL 10 2HG1 VAL 10 -0.253 -0.910 -1.290 72 HG13 VAL 10 3HG1 VAL 10 0.920 0.388 -1.072 73 HG21 VAL 10 1HG2 VAL 10 -1.496 3.145 -1.325 74 HG22 VAL 10 2HG2 VAL 10 -0.541 2.550 -2.684 75 HG23 VAL 10 3HG2 VAL 10 0.201 2.733 -1.094 76 H CYS 11 H CYS 11 -2.924 -1.323 -3.486 77 HA CYS 11 HA CYS 11 -3.336 -3.098 -1.214 78 HB2 CYS 11 2HB CYS 11 -4.732 -3.131 -3.895 79 HB3 CYS 11 1HB CYS 11 -4.882 -4.405 -2.685 80 H ARG 12 H ARG 12 -2.400 -5.028 -1.172 81 HA ARG 12 HA ARG 12 -0.869 -6.175 -3.293 82 HB2 ARG 12 2HB ARG 12 0.493 -4.139 -2.426 83 HB3 ARG 12 1HB ARG 12 0.616 -5.040 -0.926 84 HG2 ARG 12 2HG ARG 12 2.619 -5.338 -2.112 85 HG3 ARG 12 1HG ARG 12 1.732 -6.865 -2.193 86 HD2 ARG 12 2HD ARG 12 0.971 -6.302 -4.436 87 HD3 ARG 12 1HD ARG 12 1.783 -4.742 -4.315 88 HE ARG 12 HE ARG 12 3.478 -7.046 -3.957 89 HH11 ARG 12 1HH1 ARG 12 2.271 -4.549 -6.191 90 HH12 ARG 12 2HH1 ARG 12 3.455 -4.867 -7.383 91 HH21 ARG 12 1HH2 ARG 12 5.092 -7.433 -5.589 92 HH22 ARG 12 2HH2 ARG 12 5.100 -6.532 -7.024 93 HA PRO 13 HA PRO 13 -1.950 -9.541 -0.451 94 HB2 PRO 13 2HB PRO 13 0.577 -10.789 -1.420 95 HB3 PRO 13 1HB PRO 13 -1.051 -11.464 -1.359 96 HG2 PRO 13 2HG PRO 13 -0.005 -10.663 -3.670 97 HG3 PRO 13 1HG PRO 13 -1.720 -10.409 -3.301 98 HD2 PRO 13 2HD PRO 13 0.530 -8.449 -3.308 99 HD3 PRO 13 1HD PRO 13 -1.172 -8.224 -3.760 100 H ASP 14 H ASP 14 1.574 -9.060 -0.645 101 HA ASP 14 HA ASP 14 1.867 -9.542 2.170 102 HB2 ASP 14 2HB ASP 14 3.812 -8.623 0.069 103 HB3 ASP 14 1HB ASP 14 4.243 -8.588 1.770 104 HA PRO 15 HA PRO 15 0.849 -5.408 3.334 105 HB2 PRO 15 2HB PRO 15 1.705 -5.547 5.910 106 HB3 PRO 15 1HB PRO 15 0.172 -6.245 5.379 107 HG2 PRO 15 2HG PRO 15 2.817 -7.581 5.790 108 HG3 PRO 15 1HG PRO 15 1.210 -8.132 6.293 109 HD2 PRO 15 2HD PRO 15 2.406 -9.111 4.109 110 HD3 PRO 15 1HD PRO 15 0.651 -8.835 4.141 111 H GLU 16 H GLU 16 3.970 -6.898 3.787 112 HA GLU 16 HA GLU 16 5.335 -4.472 4.311 113 HB2 GLU 16 2HB GLU 16 6.406 -7.144 3.421 114 HB3 GLU 16 1HB GLU 16 7.397 -5.792 3.969 115 HG2 GLU 16 2HG GLU 16 5.339 -7.283 5.583 116 HG3 GLU 16 1HG GLU 16 7.092 -7.372 5.768 117 H GLU 17 H GLU 17 4.681 -6.337 1.408 118 HA GLU 17 HA GLU 17 6.189 -4.595 -0.261 119 HB2 GLU 17 2HB GLU 17 3.920 -6.459 -0.964 120 HB3 GLU 17 1HB GLU 17 4.883 -5.595 -2.148 121 HG2 GLU 17 2HG GLU 17 6.868 -6.802 -1.200 122 HG3 GLU 17 1HG GLU 17 5.724 -7.810 -0.316 123 H ALA 18 H ALA 18 2.913 -4.696 0.926 124 HA ALA 18 HA ALA 18 1.818 -2.619 -0.611 125 HB1 ALA 18 1HB ALA 18 0.115 -2.433 1.124 126 HB2 ALA 18 2HB ALA 18 1.128 -3.339 2.240 127 HB3 ALA 18 3HB ALA 18 0.454 -4.140 0.827 128 H ARG 19 H ARG 19 3.278 -2.550 2.650 129 HA ARG 19 HA ARG 19 3.202 0.232 2.937 130 HB2 ARG 19 2HB ARG 19 5.191 -1.687 4.174 131 HB3 ARG 19 1HB ARG 19 4.974 -0.016 4.654 132 HG2 ARG 19 2HG ARG 19 2.570 -0.649 5.191 133 HG3 ARG 19 1HG ARG 19 3.097 -2.324 5.022 134 HD2 ARG 19 2HD ARG 19 4.260 -0.279 6.902 135 HD3 ARG 19 1HD ARG 19 3.164 -1.577 7.364 136 HE ARG 19 HE ARG 19 5.057 -3.098 6.540 137 HH11 ARG 19 1HH1 ARG 19 5.617 0.055 8.051 138 HH12 ARG 19 2HH1 ARG 19 7.124 -0.342 8.700 139 HH21 ARG 19 1HH2 ARG 19 7.122 -3.678 7.439 140 HH22 ARG 19 2HH2 ARG 19 8.020 -2.545 8.340 141 H ARG 20 H ARG 20 5.583 -1.876 1.485 142 HA ARG 20 HA ARG 20 7.704 -0.123 1.156 143 HB2 ARG 20 2HB ARG 20 7.766 -2.551 0.616 144 HB3 ARG 20 1HB ARG 20 6.834 -2.220 -0.834 145 HG2 ARG 20 2HG ARG 20 8.652 -0.803 -1.677 146 HG3 ARG 20 1HG ARG 20 9.592 -1.164 -0.229 147 HD2 ARG 20 2HD ARG 20 9.408 -3.596 -0.842 148 HD3 ARG 20 1HD ARG 20 8.699 -3.085 -2.367 149 HE ARG 20 HE ARG 20 10.881 -1.722 -2.533 150 HH11 ARG 20 1HH1 ARG 20 10.619 -5.008 -1.188 151 HH12 ARG 20 2HH1 ARG 20 12.202 -5.448 -1.625 152 HH21 ARG 20 1HH2 ARG 20 13.036 -2.328 -3.081 153 HH22 ARG 20 2HH2 ARG 20 13.618 -3.904 -2.711 154 H GLU 21 H GLU 21 5.010 -0.707 -1.108 155 HA GLU 21 HA GLU 21 5.961 1.450 -2.721 156 HB2 GLU 21 2HB GLU 21 3.999 1.017 -4.174 157 HB3 GLU 21 1HB GLU 21 5.072 -0.354 -3.952 158 HG2 GLU 21 2HG GLU 21 3.497 -1.343 -2.399 159 HG3 GLU 21 1HG GLU 21 2.444 0.065 -2.567 160 H ALA 22 H ALA 22 3.559 1.085 -0.252 161 HA ALA 22 HA ALA 22 2.123 3.457 -0.744 162 HB1 ALA 22 1HB ALA 22 1.477 3.361 1.616 163 HB2 ALA 22 2HB ALA 22 2.745 2.176 1.923 164 HB3 ALA 22 3HB ALA 22 1.381 1.758 0.885 165 H GLU 23 H GLU 23 4.949 2.812 1.272 166 HA GLU 23 HA GLU 23 5.394 5.480 2.026 167 HB2 GLU 23 2HB GLU 23 7.256 3.123 1.850 168 HB3 GLU 23 1HB GLU 23 7.699 4.665 2.561 169 HG2 GLU 23 2HG GLU 23 5.583 2.773 3.516 170 HG3 GLU 23 1HG GLU 23 7.152 3.095 4.255 171 H GLU 24 H GLU 24 6.356 3.607 -0.755 172 HA GLU 24 HA GLU 24 8.280 5.445 -1.755 173 HB2 GLU 24 2HB GLU 24 8.085 3.071 -2.517 174 HB3 GLU 24 1HB GLU 24 6.579 3.487 -3.319 175 HG2 GLU 24 2HG GLU 24 8.357 3.394 -4.937 176 HG3 GLU 24 1HG GLU 24 7.805 5.057 -4.763 177 H ARG 25 H ARG 25 4.832 4.965 -2.394 178 HA ARG 25 HA ARG 25 4.616 7.145 -4.211 179 HB2 ARG 25 2HB ARG 25 2.514 5.601 -2.696 180 HB3 ARG 25 1HB ARG 25 2.131 6.876 -3.836 181 HG2 ARG 25 2HG ARG 25 3.586 4.313 -4.480 182 HG3 ARG 25 1HG ARG 25 1.897 4.671 -4.850 183 HD2 ARG 25 2HD ARG 25 2.679 6.609 -6.212 184 HD3 ARG 25 1HD ARG 25 4.334 6.080 -5.930 185 HE ARG 25 HE ARG 25 2.997 3.913 -6.965 186 HH11 ARG 25 1HH1 ARG 25 3.955 7.163 -8.006 187 HH12 ARG 25 2HH1 ARG 25 3.881 6.826 -9.660 188 HH21 ARG 25 1HH2 ARG 25 2.965 3.415 -9.268 189 HH22 ARG 25 2HH2 ARG 25 3.334 4.633 -10.403 190 H CYS 26 H CYS 26 4.283 6.873 -0.763 191 HA CYS 26 HA CYS 26 3.364 9.612 -0.614 192 HB2 CYS 26 2HB CYS 26 3.793 7.501 1.491 193 HB3 CYS 26 1HB CYS 26 3.229 9.122 1.864 194 HN1 NH2 27 HN1 NH2 27 5.581 8.336 1.793 195 HN2 NH2 27 HN2 NH2 27 6.858 9.434 1.426 Start of MODEL 11 1 H1 THR 1 1HT THR 1 -2.683 -5.835 3.663 2 H2 THR 1 2HT THR 1 -3.517 -7.318 3.652 3 H3 THR 1 3HT THR 1 -4.374 -5.875 3.602 4 HA THR 1 HA THR 1 -2.525 -6.864 1.544 5 HB THR 1 HB THR 1 -5.553 -6.702 1.434 6 HG1 THR 1 1HG THR 1 -4.097 -9.123 1.669 7 HG21 THR 1 1HG2 THR 1 -5.265 -8.197 -0.500 8 HG22 THR 1 2HG2 THR 1 -3.516 -8.148 -0.278 9 HG23 THR 1 3HG2 THR 1 -4.386 -6.686 -0.737 10 H CYS 2 H CYS 2 -5.260 -4.564 2.177 11 HA CYS 2 HA CYS 2 -3.948 -2.748 0.315 12 HB2 CYS 2 2HB CYS 2 -6.814 -2.822 1.256 13 HB3 CYS 2 1HB CYS 2 -6.139 -1.627 0.158 14 H VAL 3 H VAL 3 -2.750 -1.350 1.268 15 HA VAL 3 HA VAL 3 -3.516 -0.287 3.880 16 HB VAL 3 HB VAL 3 -1.284 0.767 3.938 17 HG11 VAL 3 1HG1 VAL 3 0.102 -1.239 4.105 18 HG12 VAL 3 2HG1 VAL 3 -1.136 -2.155 3.248 19 HG13 VAL 3 3HG1 VAL 3 -1.487 -1.474 4.835 20 HG21 VAL 3 1HG2 VAL 3 -0.861 -0.536 1.253 21 HG22 VAL 3 2HG2 VAL 3 0.395 0.250 2.208 22 HG23 VAL 3 3HG2 VAL 3 -0.958 1.195 1.580 23 H GLU 4 H GLU 4 -3.343 2.127 4.080 24 HA GLU 4 HA GLU 4 -3.974 3.399 1.535 25 HB2 GLU 4 2HB GLU 4 -6.007 2.703 2.913 26 HB3 GLU 4 1HB GLU 4 -5.502 3.911 4.078 27 HG2 GLU 4 2HG GLU 4 -5.885 5.665 2.544 28 HG3 GLU 4 1HG GLU 4 -6.117 4.534 1.205 29 H CYS 5 H CYS 5 -2.736 5.092 1.248 30 HA CYS 5 HA CYS 5 -1.661 6.485 3.587 31 HB2 CYS 5 2HB CYS 5 0.014 4.863 2.701 32 HB3 CYS 5 1HB CYS 5 -0.074 5.662 1.138 33 H DAL 6 H DAL 6 -2.287 8.495 3.435 34 HA DAL 6 HA DAL 6 -1.704 10.184 1.301 35 HB1 DAL 6 1HB DAL 6 -2.021 10.969 3.614 36 HB2 DAL 6 2HB DAL 6 -3.760 10.735 3.446 37 HB3 DAL 6 3HB DAL 6 -2.928 11.918 2.441 38 HA DPR 7 HA DPR 7 -6.238 9.933 -0.299 39 HB2 DPR 7 1HB DPR 7 -7.458 7.515 0.772 40 HB3 DPR 7 2HB DPR 7 -8.040 9.181 0.848 41 HG2 DPR 7 1HG DPR 7 -7.177 7.840 3.030 42 HG3 DPR 7 2HG DPR 7 -7.003 9.595 2.850 43 HD2 DPR 7 1HD DPR 7 -4.964 7.445 2.405 44 HD3 DPR 7 2HD DPR 7 -4.802 9.004 3.231 45 H VAL 8 H VAL 8 -3.869 7.632 -0.263 46 HA VAL 8 HA VAL 8 -4.854 6.489 -2.773 47 HB VAL 8 HB VAL 8 -2.018 6.567 -1.703 48 HG11 VAL 8 1HG1 VAL 8 -1.364 5.989 -4.002 49 HG12 VAL 8 2HG1 VAL 8 -3.062 5.896 -4.449 50 HG13 VAL 8 3HG1 VAL 8 -2.398 4.751 -3.283 51 HG21 VAL 8 1HG2 VAL 8 -1.601 8.358 -3.308 52 HG22 VAL 8 2HG2 VAL 8 -2.845 8.825 -2.147 53 HG23 VAL 8 3HG2 VAL 8 -3.300 8.336 -3.780 54 H LYS 9 H LYS 9 -5.563 4.471 -2.674 55 HA LYS 9 HA LYS 9 -4.828 2.784 -0.421 56 HB2 LYS 9 2HB LYS 9 -6.710 2.205 -2.719 57 HB3 LYS 9 1HB LYS 9 -6.525 1.253 -1.257 58 HG2 LYS 9 2HG LYS 9 -7.408 3.131 0.065 59 HG3 LYS 9 1HG LYS 9 -7.616 4.065 -1.418 60 HD2 LYS 9 2HD LYS 9 -9.742 3.127 -0.899 61 HD3 LYS 9 1HD LYS 9 -9.093 2.198 -2.249 62 HE2 LYS 9 2HE LYS 9 -10.037 0.641 -0.717 63 HE3 LYS 9 1HE LYS 9 -8.291 0.500 -0.563 64 HZ1 LYS 9 1HZ LYS 9 -9.111 0.567 1.635 65 HZ2 LYS 9 2HZ LYS 9 -10.228 1.733 1.238 66 HZ3 LYS 9 3HZ LYS 9 -8.650 2.198 1.402 67 H VAL 10 H VAL 10 -3.362 1.234 -0.580 68 HA VAL 10 HA VAL 10 -2.343 0.523 -3.244 69 HB VAL 10 HB VAL 10 -0.818 0.709 -0.623 70 HG11 VAL 10 1HG1 VAL 10 0.007 -1.131 -1.980 71 HG12 VAL 10 2HG1 VAL 10 1.168 0.198 -1.931 72 HG13 VAL 10 3HG1 VAL 10 0.169 -0.047 -3.365 73 HG21 VAL 10 1HG2 VAL 10 0.443 2.503 -1.728 74 HG22 VAL 10 2HG2 VAL 10 -1.268 2.901 -1.575 75 HG23 VAL 10 3HG2 VAL 10 -0.620 2.378 -3.129 76 H CYS 11 H CYS 11 -2.709 -1.542 -3.725 77 HA CYS 11 HA CYS 11 -3.219 -3.389 -1.505 78 HB2 CYS 11 2HB CYS 11 -4.417 -3.386 -4.277 79 HB3 CYS 11 1HB CYS 11 -4.678 -4.641 -3.072 80 H ARG 12 H ARG 12 -1.627 -4.725 -1.216 81 HA ARG 12 HA ARG 12 -0.423 -6.048 -3.522 82 HB2 ARG 12 2HB ARG 12 1.078 -4.908 -1.137 83 HB3 ARG 12 1HB ARG 12 1.792 -5.978 -2.321 84 HG2 ARG 12 2HG ARG 12 0.740 -3.195 -2.846 85 HG3 ARG 12 1HG ARG 12 2.436 -3.661 -2.719 86 HD2 ARG 12 2HD ARG 12 2.088 -5.182 -4.667 87 HD3 ARG 12 1HD ARG 12 0.456 -4.533 -4.816 88 HE ARG 12 HE ARG 12 2.179 -2.374 -4.827 89 HH11 ARG 12 1HH1 ARG 12 1.291 -5.064 -6.895 90 HH12 ARG 12 2HH1 ARG 12 2.017 -4.441 -8.289 91 HH21 ARG 12 1HH2 ARG 12 3.250 -1.492 -6.741 92 HH22 ARG 12 2HH2 ARG 12 3.114 -2.325 -8.216 93 HA PRO 13 HA PRO 13 -1.394 -9.738 -1.334 94 HB2 PRO 13 2HB PRO 13 1.409 -10.699 -1.535 95 HB3 PRO 13 1HB PRO 13 -0.080 -11.456 -2.095 96 HG2 PRO 13 2HG PRO 13 1.586 -10.333 -3.834 97 HG3 PRO 13 1HG PRO 13 -0.169 -10.197 -4.031 98 HD2 PRO 13 2HD PRO 13 1.784 -8.172 -3.017 99 HD3 PRO 13 1HD PRO 13 0.375 -7.948 -4.074 100 H ASP 14 H ASP 14 1.931 -8.905 -0.327 101 HA ASP 14 HA ASP 14 1.126 -9.492 2.416 102 HB2 ASP 14 2HB ASP 14 3.869 -9.051 1.222 103 HB3 ASP 14 1HB ASP 14 3.587 -9.144 2.951 104 HA PRO 15 HA PRO 15 0.618 -5.314 3.599 105 HB2 PRO 15 2HB PRO 15 1.629 -5.403 6.158 106 HB3 PRO 15 1HB PRO 15 0.033 -6.014 5.720 107 HG2 PRO 15 2HG PRO 15 2.601 -7.520 6.032 108 HG3 PRO 15 1HG PRO 15 0.987 -7.931 6.640 109 HD2 PRO 15 2HD PRO 15 1.943 -9.093 4.454 110 HD3 PRO 15 1HD PRO 15 0.238 -8.606 4.539 111 H GLU 16 H GLU 16 3.718 -6.859 4.008 112 HA GLU 16 HA GLU 16 5.307 -4.630 4.564 113 HB2 GLU 16 2HB GLU 16 5.863 -7.092 4.779 114 HB3 GLU 16 1HB GLU 16 6.124 -7.093 3.040 115 HG2 GLU 16 2HG GLU 16 8.210 -6.890 4.115 116 HG3 GLU 16 1HG GLU 16 7.824 -5.333 3.360 117 H GLU 17 H GLU 17 4.631 -6.318 1.487 118 HA GLU 17 HA GLU 17 6.004 -4.467 -0.151 119 HB2 GLU 17 2HB GLU 17 3.905 -6.531 -0.781 120 HB3 GLU 17 1HB GLU 17 4.499 -5.437 -2.015 121 HG2 GLU 17 2HG GLU 17 5.631 -7.558 -2.158 122 HG3 GLU 17 1HG GLU 17 6.760 -6.301 -1.680 123 H ALA 18 H ALA 18 2.736 -4.661 0.985 124 HA ALA 18 HA ALA 18 1.638 -2.643 -0.635 125 HB1 ALA 18 1HB ALA 18 0.268 -4.205 0.690 126 HB2 ALA 18 2HB ALA 18 -0.158 -2.528 1.016 127 HB3 ALA 18 3HB ALA 18 0.829 -3.427 2.171 128 H ARG 19 H ARG 19 3.080 -2.552 2.579 129 HA ARG 19 HA ARG 19 2.917 0.203 3.030 130 HB2 ARG 19 2HB ARG 19 3.474 -1.417 4.784 131 HB3 ARG 19 1HB ARG 19 4.998 -1.770 3.978 132 HG2 ARG 19 2HG ARG 19 5.639 0.602 4.273 133 HG3 ARG 19 1HG ARG 19 4.170 0.830 5.218 134 HD2 ARG 19 2HD ARG 19 6.068 0.491 6.667 135 HD3 ARG 19 1HD ARG 19 4.944 -0.858 6.803 136 HE ARG 19 HE ARG 19 6.493 -2.226 5.661 137 HH11 ARG 19 1HH1 ARG 19 7.853 1.040 5.793 138 HH12 ARG 19 2HH1 ARG 19 9.436 0.505 6.106 139 HH21 ARG 19 1HH2 ARG 19 8.592 -2.925 5.971 140 HH22 ARG 19 2HH2 ARG 19 9.908 -1.847 6.201 141 H ARG 20 H ARG 20 5.441 -1.791 1.591 142 HA ARG 20 HA ARG 20 7.472 0.037 1.210 143 HB2 ARG 20 2HB ARG 20 7.438 -2.472 0.742 144 HB3 ARG 20 1HB ARG 20 6.720 -2.072 -0.809 145 HG2 ARG 20 2HG ARG 20 9.034 -2.371 -1.185 146 HG3 ARG 20 1HG ARG 20 8.740 -0.629 -1.234 147 HD2 ARG 20 2HD ARG 20 10.743 -1.134 0.063 148 HD3 ARG 20 1HD ARG 20 9.495 -0.431 1.088 149 HE ARG 20 HE ARG 20 9.398 -3.280 1.041 150 HH11 ARG 20 1HH1 ARG 20 10.990 -0.539 2.592 151 HH12 ARG 20 2HH1 ARG 20 11.495 -1.406 3.957 152 HH21 ARG 20 1HH2 ARG 20 10.088 -4.502 2.916 153 HH22 ARG 20 2HH2 ARG 20 10.974 -3.719 4.141 154 H GLU 21 H GLU 21 4.900 -0.844 -1.043 155 HA GLU 21 HA GLU 21 5.524 1.055 -3.040 156 HB2 GLU 21 2HB GLU 21 2.989 -0.446 -2.440 157 HB3 GLU 21 1HB GLU 21 3.270 0.486 -3.909 158 HG2 GLU 21 2HG GLU 21 4.931 -1.846 -3.009 159 HG3 GLU 21 1HG GLU 21 3.603 -1.973 -4.148 160 H ALA 22 H ALA 22 3.374 1.123 -0.244 161 HA ALA 22 HA ALA 22 2.024 3.518 -0.885 162 HB1 ALA 22 1HB ALA 22 1.334 3.557 1.445 163 HB2 ALA 22 2HB ALA 22 2.547 2.338 1.840 164 HB3 ALA 22 3HB ALA 22 1.192 1.926 0.788 165 H GLU 23 H GLU 23 4.890 2.889 1.095 166 HA GLU 23 HA GLU 23 5.246 5.646 1.691 167 HB2 GLU 23 2HB GLU 23 7.171 3.342 1.955 168 HB3 GLU 23 1HB GLU 23 7.442 4.957 2.599 169 HG2 GLU 23 2HG GLU 23 5.386 4.698 3.961 170 HG3 GLU 23 1HG GLU 23 5.268 3.037 3.388 171 H GLU 24 H GLU 24 6.119 3.667 -0.939 172 HA GLU 24 HA GLU 24 8.106 5.363 -2.070 173 HB2 GLU 24 2HB GLU 24 7.768 3.022 -2.773 174 HB3 GLU 24 1HB GLU 24 6.175 3.437 -3.382 175 HG2 GLU 24 2HG GLU 24 7.292 5.013 -4.967 176 HG3 GLU 24 1HG GLU 24 8.834 4.341 -4.440 177 H ARG 25 H ARG 25 4.641 5.132 -2.155 178 HA ARG 25 HA ARG 25 4.146 7.151 -4.115 179 HB2 ARG 25 2HB ARG 25 2.541 5.359 -3.688 180 HB3 ARG 25 1HB ARG 25 2.378 5.873 -2.022 181 HG2 ARG 25 2HG ARG 25 0.453 6.561 -3.269 182 HG3 ARG 25 1HG ARG 25 1.379 7.983 -2.803 183 HD2 ARG 25 2HD ARG 25 2.349 8.101 -5.040 184 HD3 ARG 25 1HD ARG 25 1.459 6.648 -5.504 185 HE ARG 25 HE ARG 25 -0.444 8.344 -4.607 186 HH11 ARG 25 1HH1 ARG 25 2.022 8.567 -7.124 187 HH12 ARG 25 2HH1 ARG 25 1.133 9.637 -8.097 188 HH21 ARG 25 1HH2 ARG 25 -1.688 9.827 -5.969 189 HH22 ARG 25 2HH2 ARG 25 -0.998 10.362 -7.420 190 H CYS 26 H CYS 26 4.000 6.992 -0.601 191 HA CYS 26 HA CYS 26 3.528 9.835 -0.390 192 HB2 CYS 26 2HB CYS 26 3.880 7.704 1.726 193 HB3 CYS 26 1HB CYS 26 3.358 9.355 2.027 194 HN1 NH2 27 HN1 NH2 27 5.534 10.459 -1.338 195 HN2 NH2 27 HN2 NH2 27 7.003 10.450 -0.434 Start of MODEL 12 1 H1 THR 1 1HT THR 1 -4.952 -5.749 3.630 2 H2 THR 1 2HT THR 1 -3.342 -6.219 3.360 3 H3 THR 1 3HT THR 1 -4.532 -7.378 3.557 4 HA THR 1 HA THR 1 -3.894 -7.232 1.303 5 HB THR 1 HB THR 1 -6.668 -6.088 1.668 6 HG1 THR 1 1HG THR 1 -5.834 -8.810 1.979 7 HG21 THR 1 1HG2 THR 1 -5.917 -6.477 -0.647 8 HG22 THR 1 2HG2 THR 1 -7.199 -7.599 -0.185 9 HG23 THR 1 3HG2 THR 1 -5.524 -8.148 -0.235 10 H CYS 2 H CYS 2 -5.287 -4.105 2.470 11 HA CYS 2 HA CYS 2 -3.743 -2.807 0.363 12 HB2 CYS 2 2HB CYS 2 -6.542 -2.038 1.224 13 HB3 CYS 2 1HB CYS 2 -5.581 -1.268 -0.028 14 H VAL 3 H VAL 3 -2.617 -1.111 1.092 15 HA VAL 3 HA VAL 3 -3.251 -0.176 3.792 16 HB VAL 3 HB VAL 3 -0.940 0.688 3.957 17 HG11 VAL 3 1HG1 VAL 3 0.260 -1.447 4.124 18 HG12 VAL 3 2HG1 VAL 3 -1.044 -2.232 3.234 19 HG13 VAL 3 3HG1 VAL 3 -1.359 -1.527 4.819 20 HG21 VAL 3 1HG2 VAL 3 -0.462 1.113 1.613 21 HG22 VAL 3 2HG2 VAL 3 -0.517 -0.611 1.264 22 HG23 VAL 3 3HG2 VAL 3 0.770 0.039 2.283 23 H GLU 4 H GLU 4 -3.648 1.986 4.077 24 HA GLU 4 HA GLU 4 -4.006 3.419 1.560 25 HB2 GLU 4 2HB GLU 4 -5.373 3.768 4.221 26 HB3 GLU 4 1HB GLU 4 -5.679 4.732 2.786 27 HG2 GLU 4 2HG GLU 4 -6.527 2.820 1.617 28 HG3 GLU 4 1HG GLU 4 -6.088 1.761 2.956 29 H CYS 5 H CYS 5 -2.586 4.913 1.175 30 HA CYS 5 HA CYS 5 -1.482 6.338 3.448 31 HB2 CYS 5 2HB CYS 5 0.453 6.886 1.898 32 HB3 CYS 5 1HB CYS 5 0.337 5.211 2.408 33 H DAL 6 H DAL 6 -2.765 8.003 3.682 34 HA DAL 6 HA DAL 6 -2.472 10.213 2.040 35 HB1 DAL 6 1HB DAL 6 -4.087 11.347 3.414 36 HB2 DAL 6 2HB DAL 6 -3.040 10.352 4.423 37 HB3 DAL 6 3HB DAL 6 -4.677 9.815 4.054 38 HA DPR 7 HA DPR 7 -6.594 9.541 -0.136 39 HB2 DPR 7 1HB DPR 7 -8.255 7.519 0.348 40 HB3 DPR 7 2HB DPR 7 -8.158 8.889 1.461 41 HG2 DPR 7 1HG DPR 7 -6.955 6.160 1.685 42 HG3 DPR 7 2HG DPR 7 -7.723 7.150 2.939 43 HD2 DPR 7 1HD DPR 7 -4.976 6.936 2.528 44 HD3 DPR 7 2HD DPR 7 -5.789 8.246 3.405 45 H VAL 8 H VAL 8 -4.063 7.551 -0.209 46 HA VAL 8 HA VAL 8 -4.968 6.281 -2.679 47 HB VAL 8 HB VAL 8 -2.142 6.610 -1.615 48 HG11 VAL 8 1HG1 VAL 8 -1.432 6.019 -3.889 49 HG12 VAL 8 2HG1 VAL 8 -3.116 5.761 -4.344 50 HG13 VAL 8 3HG1 VAL 8 -2.359 4.719 -3.138 51 HG21 VAL 8 1HG2 VAL 8 -1.885 8.369 -3.323 52 HG22 VAL 8 2HG2 VAL 8 -3.106 8.787 -2.123 53 HG23 VAL 8 3HG2 VAL 8 -3.596 8.220 -3.719 54 H LYS 9 H LYS 9 -5.647 4.226 -2.476 55 HA LYS 9 HA LYS 9 -4.528 2.717 -0.274 56 HB2 LYS 9 2HB LYS 9 -6.330 1.096 -0.628 57 HB3 LYS 9 1HB LYS 9 -6.965 2.710 -0.370 58 HG2 LYS 9 2HG LYS 9 -7.436 2.936 -2.720 59 HG3 LYS 9 1HG LYS 9 -6.692 1.369 -3.046 60 HD2 LYS 9 2HD LYS 9 -8.372 0.297 -1.602 61 HD3 LYS 9 1HD LYS 9 -9.119 1.878 -1.345 62 HE2 LYS 9 2HE LYS 9 -9.589 2.070 -3.700 63 HE3 LYS 9 1HE LYS 9 -8.780 0.534 -4.009 64 HZ1 LYS 9 1HZ LYS 9 -10.458 -0.587 -2.716 65 HZ2 LYS 9 2HZ LYS 9 -11.191 0.339 -3.932 66 HZ3 LYS 9 3HZ LYS 9 -11.203 0.882 -2.342 67 H VAL 10 H VAL 10 -2.923 1.513 -0.603 68 HA VAL 10 HA VAL 10 -2.343 0.576 -3.297 69 HB VAL 10 HB VAL 10 -0.585 0.670 -0.825 70 HG11 VAL 10 1HG1 VAL 10 1.241 0.083 -2.307 71 HG12 VAL 10 2HG1 VAL 10 0.125 -0.067 -3.666 72 HG13 VAL 10 3HG1 VAL 10 0.020 -1.190 -2.306 73 HG21 VAL 10 1HG2 VAL 10 0.618 2.438 -2.028 74 HG22 VAL 10 2HG2 VAL 10 -1.062 2.882 -1.727 75 HG23 VAL 10 3HG2 VAL 10 -0.564 2.349 -3.333 76 H CYS 11 H CYS 11 -3.377 -1.214 -3.619 77 HA CYS 11 HA CYS 11 -3.618 -3.196 -1.538 78 HB2 CYS 11 2HB CYS 11 -4.760 -3.085 -4.324 79 HB3 CYS 11 1HB CYS 11 -5.062 -4.382 -3.169 80 H ARG 12 H ARG 12 -2.174 -4.614 -1.229 81 HA ARG 12 HA ARG 12 -0.973 -6.103 -3.362 82 HB2 ARG 12 2HB ARG 12 0.549 -4.077 -2.923 83 HB3 ARG 12 1HB ARG 12 0.763 -4.708 -1.299 84 HG2 ARG 12 2HG ARG 12 2.653 -5.360 -2.583 85 HG3 ARG 12 1HG ARG 12 1.666 -6.799 -2.313 86 HD2 ARG 12 2HD ARG 12 2.454 -6.683 -4.638 87 HD3 ARG 12 1HD ARG 12 0.695 -6.557 -4.559 88 HE ARG 12 HE ARG 12 2.297 -4.114 -4.620 89 HH11 ARG 12 1HH1 ARG 12 0.195 -6.293 -6.476 90 HH12 ARG 12 2HH1 ARG 12 -0.328 -5.073 -7.537 91 HH21 ARG 12 1HH2 ARG 12 1.575 -2.499 -6.037 92 HH22 ARG 12 2HH2 ARG 12 0.505 -2.836 -7.318 93 HA PRO 13 HA PRO 13 -2.327 -9.019 -0.228 94 HB2 PRO 13 2HB PRO 13 -0.121 -10.567 -1.527 95 HB3 PRO 13 1HB PRO 13 -1.745 -11.102 -1.060 96 HG2 PRO 13 2HG PRO 13 -1.308 -10.535 -3.573 97 HG3 PRO 13 1HG PRO 13 -2.768 -9.908 -2.790 98 HD2 PRO 13 2HD PRO 13 -0.234 -8.463 -3.465 99 HD3 PRO 13 1HD PRO 13 -1.920 -7.914 -3.576 100 H ASP 14 H ASP 14 1.190 -8.798 -0.744 101 HA ASP 14 HA ASP 14 1.716 -9.546 1.981 102 HB2 ASP 14 2HB ASP 14 3.554 -8.531 -0.202 103 HB3 ASP 14 1HB ASP 14 4.120 -8.947 1.412 104 HA PRO 15 HA PRO 15 0.673 -5.504 3.457 105 HB2 PRO 15 2HB PRO 15 1.650 -5.817 6.006 106 HB3 PRO 15 1HB PRO 15 0.086 -6.425 5.458 107 HG2 PRO 15 2HG PRO 15 2.693 -7.872 5.722 108 HG3 PRO 15 1HG PRO 15 1.068 -8.417 6.168 109 HD2 PRO 15 2HD PRO 15 2.245 -9.252 3.927 110 HD3 PRO 15 1HD PRO 15 0.500 -8.918 3.972 111 H GLU 16 H GLU 16 3.928 -6.743 4.058 112 HA GLU 16 HA GLU 16 4.927 -4.127 4.599 113 HB2 GLU 16 2HB GLU 16 6.402 -6.694 4.051 114 HB3 GLU 16 1HB GLU 16 7.127 -5.218 4.664 115 HG2 GLU 16 2HG GLU 16 5.873 -5.336 6.686 116 HG3 GLU 16 1HG GLU 16 4.910 -6.679 6.070 117 H GLU 17 H GLU 17 4.809 -6.248 1.803 118 HA GLU 17 HA GLU 17 6.385 -4.606 0.122 119 HB2 GLU 17 2HB GLU 17 4.258 -6.639 -0.469 120 HB3 GLU 17 1HB GLU 17 5.039 -5.723 -1.747 121 HG2 GLU 17 2HG GLU 17 6.463 -7.471 0.235 122 HG3 GLU 17 1HG GLU 17 6.046 -7.935 -1.414 123 H ALA 18 H ALA 18 2.973 -4.708 0.887 124 HA ALA 18 HA ALA 18 2.049 -2.737 -0.848 125 HB1 ALA 18 1HB ALA 18 1.086 -3.240 1.973 126 HB2 ALA 18 2HB ALA 18 0.611 -4.207 0.592 127 HB3 ALA 18 3HB ALA 18 0.164 -2.501 0.663 128 H ARG 19 H ARG 19 3.207 -2.469 2.474 129 HA ARG 19 HA ARG 19 3.134 0.310 2.811 130 HB2 ARG 19 2HB ARG 19 3.525 -1.226 4.652 131 HB3 ARG 19 1HB ARG 19 5.041 -1.738 3.933 132 HG2 ARG 19 2HG ARG 19 5.907 0.572 4.236 133 HG3 ARG 19 1HG ARG 19 4.417 0.968 5.093 134 HD2 ARG 19 2HD ARG 19 6.316 -1.230 5.868 135 HD3 ARG 19 1HD ARG 19 6.301 0.365 6.609 136 HE ARG 19 HE ARG 19 3.811 -0.360 6.996 137 HH11 ARG 19 1HH1 ARG 19 6.795 -2.231 7.497 138 HH12 ARG 19 2HH1 ARG 19 6.161 -3.200 8.740 139 HH21 ARG 19 1HH2 ARG 19 2.960 -1.659 8.766 140 HH22 ARG 19 2HH2 ARG 19 3.937 -2.877 9.463 141 H ARG 20 H ARG 20 5.752 -1.769 1.719 142 HA ARG 20 HA ARG 20 7.835 -0.006 1.429 143 HB2 ARG 20 2HB ARG 20 7.903 -2.469 1.343 144 HB3 ARG 20 1HB ARG 20 7.163 -2.415 -0.240 145 HG2 ARG 20 2HG ARG 20 9.135 -1.354 -1.153 146 HG3 ARG 20 1HG ARG 20 9.871 -1.302 0.457 147 HD2 ARG 20 2HD ARG 20 9.731 -3.737 0.603 148 HD3 ARG 20 1HD ARG 20 9.010 -3.799 -0.997 149 HE ARG 20 HE ARG 20 11.514 -2.479 -1.026 150 HH11 ARG 20 1HH1 ARG 20 10.013 -5.696 -0.935 151 HH12 ARG 20 2HH1 ARG 20 11.386 -6.486 -1.577 152 HH21 ARG 20 1HH2 ARG 20 13.347 -3.565 -1.903 153 HH22 ARG 20 2HH2 ARG 20 13.317 -5.250 -2.162 154 H GLU 21 H GLU 21 5.461 -0.937 -1.072 155 HA GLU 21 HA GLU 21 6.592 1.017 -2.847 156 HB2 GLU 21 2HB GLU 21 4.787 0.329 -4.421 157 HB3 GLU 21 1HB GLU 21 5.801 -1.001 -3.877 158 HG2 GLU 21 2HG GLU 21 4.042 -1.676 -2.320 159 HG3 GLU 21 1HG GLU 21 3.059 -0.320 -2.870 160 H ALA 22 H ALA 22 4.011 0.933 -0.566 161 HA ALA 22 HA ALA 22 2.545 3.135 -1.568 162 HB1 ALA 22 1HB ALA 22 1.446 3.206 0.589 163 HB2 ALA 22 2HB ALA 22 2.685 2.156 1.276 164 HB3 ALA 22 3HB ALA 22 1.593 1.534 0.039 165 H GLU 23 H GLU 23 4.891 2.948 1.111 166 HA GLU 23 HA GLU 23 4.687 5.711 1.673 167 HB2 GLU 23 2HB GLU 23 6.528 5.410 3.195 168 HB3 GLU 23 1HB GLU 23 5.413 4.064 3.341 169 HG2 GLU 23 2HG GLU 23 6.931 2.688 1.989 170 HG3 GLU 23 1HG GLU 23 8.054 4.045 1.899 171 H GLU 24 H GLU 24 6.578 4.010 -0.613 172 HA GLU 24 HA GLU 24 8.549 6.050 -0.983 173 HB2 GLU 24 2HB GLU 24 8.991 3.721 -1.632 174 HB3 GLU 24 1HB GLU 24 7.708 3.802 -2.830 175 HG2 GLU 24 2HG GLU 24 8.943 5.502 -4.057 176 HG3 GLU 24 1HG GLU 24 10.217 5.462 -2.843 177 H ARG 25 H ARG 25 5.384 5.407 -2.202 178 HA ARG 25 HA ARG 25 5.683 7.539 -4.166 179 HB2 ARG 25 2HB ARG 25 3.581 5.401 -3.882 180 HB3 ARG 25 1HB ARG 25 3.481 6.718 -5.051 181 HG2 ARG 25 2HG ARG 25 5.510 5.989 -6.127 182 HG3 ARG 25 1HG ARG 25 5.752 4.750 -4.899 183 HD2 ARG 25 2HD ARG 25 3.406 4.874 -6.787 184 HD3 ARG 25 1HD ARG 25 4.845 3.876 -7.010 185 HE ARG 25 HE ARG 25 3.889 3.288 -4.512 186 HH11 ARG 25 1HH1 ARG 25 2.769 2.937 -7.863 187 HH12 ARG 25 2HH1 ARG 25 1.753 1.609 -7.513 188 HH21 ARG 25 1HH2 ARG 25 2.463 1.445 -4.081 189 HH22 ARG 25 2HH2 ARG 25 1.612 0.737 -5.364 190 H CYS 26 H CYS 26 3.970 6.741 -1.260 191 HA CYS 26 HA CYS 26 2.561 9.281 -1.354 192 HB2 CYS 26 2HB CYS 26 2.449 6.947 0.562 193 HB3 CYS 26 1HB CYS 26 1.544 8.433 0.805 194 HN1 NH2 27 HN1 NH2 27 4.436 10.575 -1.201 195 HN2 NH2 27 HN2 NH2 27 5.264 10.782 0.301 Start of MODEL 13 1 H1 THR 1 1HT THR 1 -2.747 -7.223 0.506 2 H2 THR 1 2HT THR 1 -4.427 -7.244 0.351 3 H3 THR 1 3HT THR 1 -3.660 -8.301 1.439 4 HA THR 1 HA THR 1 -4.662 -6.524 2.601 5 HB THR 1 HB THR 1 -1.647 -6.211 2.515 6 HG1 THR 1 1HG THR 1 -3.016 -8.001 4.227 7 HG21 THR 1 1HG2 THR 1 -2.822 -4.580 3.938 8 HG22 THR 1 2HG2 THR 1 -1.910 -5.725 4.923 9 HG23 THR 1 3HG2 THR 1 -3.655 -5.897 4.761 10 H CYS 2 H CYS 2 -5.451 -4.506 2.351 11 HA CYS 2 HA CYS 2 -4.142 -2.743 0.421 12 HB2 CYS 2 2HB CYS 2 -6.939 -2.665 1.571 13 HB3 CYS 2 1HB CYS 2 -6.283 -1.489 0.442 14 H VAL 3 H VAL 3 -2.814 -1.377 1.293 15 HA VAL 3 HA VAL 3 -3.483 -0.273 3.920 16 HB VAL 3 HB VAL 3 -1.102 0.331 4.183 17 HG11 VAL 3 1HG1 VAL 3 -1.821 -1.808 5.076 18 HG12 VAL 3 2HG1 VAL 3 -0.166 -1.919 4.478 19 HG13 VAL 3 3HG1 VAL 3 -1.493 -2.585 3.528 20 HG21 VAL 3 1HG2 VAL 3 -0.714 -1.104 1.564 21 HG22 VAL 3 2HG2 VAL 3 0.584 -0.553 2.622 22 HG23 VAL 3 3HG2 VAL 3 -0.492 0.621 1.859 23 H GLU 4 H GLU 4 -3.075 2.011 4.186 24 HA GLU 4 HA GLU 4 -3.283 3.448 1.646 25 HB2 GLU 4 2HB GLU 4 -5.496 2.960 2.609 26 HB3 GLU 4 1HB GLU 4 -5.028 3.817 4.066 27 HG2 GLU 4 2HG GLU 4 -4.734 5.855 2.709 28 HG3 GLU 4 1HG GLU 4 -5.358 4.965 1.318 29 H CYS 5 H CYS 5 -2.165 5.308 1.604 30 HA CYS 5 HA CYS 5 -1.580 6.759 4.017 31 HB2 CYS 5 2HB CYS 5 0.288 5.082 3.844 32 HB3 CYS 5 1HB CYS 5 0.726 5.775 2.295 33 H DAL 6 H DAL 6 -1.704 8.845 3.565 34 HA DAL 6 HA DAL 6 -0.615 10.184 1.421 35 HB1 DAL 6 1HB DAL 6 -2.925 11.127 3.097 36 HB2 DAL 6 2HB DAL 6 -1.822 12.125 2.149 37 HB3 DAL 6 3HB DAL 6 -1.221 11.225 3.543 38 HA DPR 7 HA DPR 7 -4.766 10.242 -0.963 39 HB2 DPR 7 1HB DPR 7 -6.680 8.420 -0.376 40 HB3 DPR 7 2HB DPR 7 -6.620 10.030 0.349 41 HG2 DPR 7 1HG DPR 7 -5.764 7.409 1.472 42 HG3 DPR 7 2HG DPR 7 -6.583 8.762 2.269 43 HD2 DPR 7 1HD DPR 7 -3.916 8.262 2.511 44 HD3 DPR 7 2HD DPR 7 -4.640 9.872 2.669 45 H VAL 8 H VAL 8 -2.795 7.653 -0.214 46 HA VAL 8 HA VAL 8 -3.414 6.423 -2.782 47 HB VAL 8 HB VAL 8 -0.834 6.261 -1.206 48 HG11 VAL 8 1HG1 VAL 8 -1.489 5.394 -4.016 49 HG12 VAL 8 2HG1 VAL 8 -1.211 4.335 -2.637 50 HG13 VAL 8 3HG1 VAL 8 0.106 5.322 -3.270 51 HG21 VAL 8 1HG2 VAL 8 0.104 7.770 -2.901 52 HG22 VAL 8 2HG2 VAL 8 -1.210 8.535 -2.008 53 HG23 VAL 8 3HG2 VAL 8 -1.491 7.927 -3.638 54 H LYS 9 H LYS 9 -4.193 4.450 -2.785 55 HA LYS 9 HA LYS 9 -4.009 2.799 -0.356 56 HB2 LYS 9 2HB LYS 9 -6.277 3.622 -0.839 57 HB3 LYS 9 1HB LYS 9 -6.175 2.955 -2.458 58 HG2 LYS 9 2HG LYS 9 -5.948 0.691 -1.421 59 HG3 LYS 9 1HG LYS 9 -6.288 1.443 0.141 60 HD2 LYS 9 2HD LYS 9 -8.412 2.300 -0.758 61 HD3 LYS 9 1HD LYS 9 -8.077 1.491 -2.287 62 HE2 LYS 9 2HE LYS 9 -8.016 -0.666 -1.051 63 HE3 LYS 9 1HE LYS 9 -8.516 0.200 0.399 64 HZ1 LYS 9 1HZ LYS 9 -10.037 -0.017 -2.132 65 HZ2 LYS 9 2HZ LYS 9 -10.535 0.907 -0.829 66 HZ3 LYS 9 3HZ LYS 9 -10.418 -0.771 -0.685 67 H VAL 10 H VAL 10 -2.626 1.165 -0.756 68 HA VAL 10 HA VAL 10 -2.571 0.041 -3.476 69 HB VAL 10 HB VAL 10 -0.260 0.110 -1.492 70 HG11 VAL 10 1HG1 VAL 10 -0.222 -1.948 -2.808 71 HG12 VAL 10 2HG1 VAL 10 1.087 -0.877 -3.308 72 HG13 VAL 10 3HG1 VAL 10 -0.363 -1.014 -4.295 73 HG21 VAL 10 1HG2 VAL 10 -0.620 1.525 -4.136 74 HG22 VAL 10 2HG2 VAL 10 0.839 1.555 -3.147 75 HG23 VAL 10 3HG2 VAL 10 -0.653 2.273 -2.539 76 H CYS 11 H CYS 11 -2.876 -2.095 -3.702 77 HA CYS 11 HA CYS 11 -3.317 -3.624 -1.244 78 HB2 CYS 11 2HB CYS 11 -4.724 -3.907 -3.907 79 HB3 CYS 11 1HB CYS 11 -5.030 -4.877 -2.468 80 H ARG 12 H ARG 12 -1.764 -5.009 -0.964 81 HA ARG 12 HA ARG 12 -0.826 -6.626 -3.208 82 HB2 ARG 12 2HB ARG 12 0.747 -4.628 -2.671 83 HB3 ARG 12 1HB ARG 12 1.060 -5.440 -1.149 84 HG2 ARG 12 2HG ARG 12 2.845 -5.918 -2.648 85 HG3 ARG 12 1HG ARG 12 1.901 -7.393 -2.430 86 HD2 ARG 12 2HD ARG 12 2.472 -7.100 -4.777 87 HD3 ARG 12 1HD ARG 12 0.735 -6.937 -4.559 88 HE ARG 12 HE ARG 12 2.321 -4.483 -4.564 89 HH11 ARG 12 1HH1 ARG 12 0.202 -6.638 -6.421 90 HH12 ARG 12 2HH1 ARG 12 -0.117 -5.489 -7.629 91 HH21 ARG 12 1HH2 ARG 12 1.902 -2.946 -6.209 92 HH22 ARG 12 2HH2 ARG 12 0.838 -3.319 -7.492 93 HA PRO 13 HA PRO 13 -1.743 -9.909 -0.268 94 HB2 PRO 13 2HB PRO 13 0.807 -11.067 -1.312 95 HB3 PRO 13 1HB PRO 13 -0.767 -11.847 -1.075 96 HG2 PRO 13 2HG PRO 13 -0.042 -11.146 -3.499 97 HG3 PRO 13 1HG PRO 13 -1.695 -10.814 -2.951 98 HD2 PRO 13 2HD PRO 13 0.609 -8.934 -3.248 99 HD3 PRO 13 1HD PRO 13 -1.116 -8.682 -3.592 100 H ASP 14 H ASP 14 1.641 -8.882 -0.436 101 HA ASP 14 HA ASP 14 1.967 -9.525 2.379 102 HB2 ASP 14 2HB ASP 14 3.922 -8.503 0.312 103 HB3 ASP 14 1HB ASP 14 4.320 -8.626 2.017 104 HA PRO 15 HA PRO 15 0.619 -5.384 3.437 105 HB2 PRO 15 2HB PRO 15 1.594 -5.476 6.038 106 HB3 PRO 15 1HB PRO 15 0.008 -6.069 5.547 107 HG2 PRO 15 2HG PRO 15 2.541 -7.579 5.997 108 HG3 PRO 15 1HG PRO 15 0.878 -8.038 6.400 109 HD2 PRO 15 2HD PRO 15 2.160 -9.067 4.302 110 HD3 PRO 15 1HD PRO 15 0.416 -8.723 4.232 111 H GLU 16 H GLU 16 3.750 -6.700 4.076 112 HA GLU 16 HA GLU 16 5.216 -4.371 4.630 113 HB2 GLU 16 2HB GLU 16 6.158 -6.878 3.245 114 HB3 GLU 16 1HB GLU 16 7.166 -5.705 4.076 115 HG2 GLU 16 2HG GLU 16 6.112 -6.284 6.193 116 HG3 GLU 16 1HG GLU 16 5.073 -7.437 5.361 117 H GLU 17 H GLU 17 4.875 -6.223 1.616 118 HA GLU 17 HA GLU 17 6.278 -4.349 0.049 119 HB2 GLU 17 2HB GLU 17 4.368 -6.512 -0.821 120 HB3 GLU 17 1HB GLU 17 5.474 -5.643 -1.876 121 HG2 GLU 17 2HG GLU 17 7.349 -6.501 -0.452 122 HG3 GLU 17 1HG GLU 17 6.167 -7.535 0.347 123 H ALA 18 H ALA 18 2.913 -4.769 0.847 124 HA ALA 18 HA ALA 18 1.775 -2.986 -0.989 125 HB1 ALA 18 1HB ALA 18 0.448 -4.506 0.483 126 HB2 ALA 18 2HB ALA 18 -0.104 -2.840 0.543 127 HB3 ALA 18 3HB ALA 18 0.877 -3.485 1.857 128 H ARG 19 H ARG 19 3.032 -2.471 2.287 129 HA ARG 19 HA ARG 19 2.623 0.307 2.347 130 HB2 ARG 19 2HB ARG 19 4.510 -1.452 3.872 131 HB3 ARG 19 1HB ARG 19 4.418 0.282 4.118 132 HG2 ARG 19 2HG ARG 19 2.040 0.026 4.712 133 HG3 ARG 19 1HG ARG 19 2.231 -1.724 4.560 134 HD2 ARG 19 2HD ARG 19 2.433 -0.991 6.883 135 HD3 ARG 19 1HD ARG 19 3.932 -1.713 6.289 136 HE ARG 19 HE ARG 19 4.360 0.902 5.845 137 HH11 ARG 19 1HH1 ARG 19 3.403 -0.872 8.733 138 HH12 ARG 19 2HH1 ARG 19 3.965 0.285 9.839 139 HH21 ARG 19 1HH2 ARG 19 5.125 2.514 7.291 140 HH22 ARG 19 2HH2 ARG 19 5.027 2.284 8.983 141 H ARG 20 H ARG 20 5.319 -1.640 1.281 142 HA ARG 20 HA ARG 20 7.202 0.392 0.998 143 HB2 ARG 20 2HB ARG 20 7.673 -2.046 0.867 144 HB3 ARG 20 1HB ARG 20 6.929 -2.072 -0.722 145 HG2 ARG 20 2HG ARG 20 8.637 -0.610 -1.590 146 HG3 ARG 20 1HG ARG 20 9.369 -0.463 0.011 147 HD2 ARG 20 2HD ARG 20 10.617 -2.074 -1.269 148 HD3 ARG 20 1HD ARG 20 9.729 -2.907 0.006 149 HE ARG 20 HE ARG 20 8.689 -2.758 -2.718 150 HH11 ARG 20 1HH1 ARG 20 9.591 -4.703 0.113 151 HH12 ARG 20 2HH1 ARG 20 9.209 -6.174 -0.612 152 HH21 ARG 20 1HH2 ARG 20 8.064 -4.800 -3.665 153 HH22 ARG 20 2HH2 ARG 20 8.229 -6.241 -2.778 154 H GLU 21 H GLU 21 4.610 -0.591 -1.108 155 HA GLU 21 HA GLU 21 5.377 1.282 -3.170 156 HB2 GLU 21 2HB GLU 21 2.967 -0.486 -2.813 157 HB3 GLU 21 1HB GLU 21 3.200 0.554 -4.218 158 HG2 GLU 21 2HG GLU 21 5.211 -0.676 -4.804 159 HG3 GLU 21 1HG GLU 21 5.051 -1.654 -3.349 160 H ALA 22 H ALA 22 2.798 0.983 -0.749 161 HA ALA 22 HA ALA 22 1.388 3.304 -1.436 162 HB1 ALA 22 1HB ALA 22 1.525 2.013 1.278 163 HB2 ALA 22 2HB ALA 22 0.459 1.519 -0.037 164 HB3 ALA 22 3HB ALA 22 0.274 3.113 0.697 165 H GLU 23 H GLU 23 3.887 2.866 1.072 166 HA GLU 23 HA GLU 23 3.667 5.534 1.971 167 HB2 GLU 23 2HB GLU 23 5.865 3.512 2.407 168 HB3 GLU 23 1HB GLU 23 5.735 5.049 3.255 169 HG2 GLU 23 2HG GLU 23 3.593 4.352 4.193 170 HG3 GLU 23 1HG GLU 23 3.719 2.816 3.341 171 H GLU 24 H GLU 24 5.431 4.029 -0.542 172 HA GLU 24 HA GLU 24 7.371 6.087 -0.923 173 HB2 GLU 24 2HB GLU 24 7.757 3.831 -1.718 174 HB3 GLU 24 1HB GLU 24 6.350 3.923 -2.759 175 HG2 GLU 24 2HG GLU 24 7.428 5.595 -4.125 176 HG3 GLU 24 1HG GLU 24 8.820 5.617 -3.041 177 H ARG 25 H ARG 25 4.182 5.418 -2.129 178 HA ARG 25 HA ARG 25 4.214 7.662 -3.947 179 HB2 ARG 25 2HB ARG 25 2.032 5.783 -3.083 180 HB3 ARG 25 1HB ARG 25 1.821 7.028 -4.314 181 HG2 ARG 25 2HG ARG 25 3.512 5.935 -5.703 182 HG3 ARG 25 1HG ARG 25 3.752 4.715 -4.452 183 HD2 ARG 25 2HD ARG 25 2.317 3.881 -6.244 184 HD3 ARG 25 1HD ARG 25 1.446 3.977 -4.718 185 HE ARG 25 HE ARG 25 0.905 6.349 -5.901 186 HH11 ARG 25 1HH1 ARG 25 0.590 3.014 -7.074 187 HH12 ARG 25 2HH1 ARG 25 -0.808 3.348 -7.991 188 HH21 ARG 25 1HH2 ARG 25 -0.974 6.774 -7.141 189 HH22 ARG 25 2HH2 ARG 25 -1.728 5.530 -8.032 190 H CYS 26 H CYS 26 3.257 6.924 -0.774 191 HA CYS 26 HA CYS 26 1.580 9.099 -0.187 192 HB2 CYS 26 2HB CYS 26 1.751 7.022 1.135 193 HB3 CYS 26 1HB CYS 26 3.384 7.474 1.597 194 HN1 NH2 27 HN1 NH2 27 4.863 8.608 1.109 195 HN2 NH2 27 HN2 NH2 27 5.342 10.260 0.976 Start of MODEL 14 1 H1 THR 1 1HT THR 1 -4.047 -7.127 4.105 2 H2 THR 1 2HT THR 1 -5.235 -6.207 3.371 3 H3 THR 1 3HT THR 1 -3.890 -5.435 4.082 4 HA THR 1 HA THR 1 -2.500 -6.587 2.443 5 HB THR 1 HB THR 1 -3.830 -7.419 0.433 6 HG1 THR 1 1HG THR 1 -5.928 -7.543 0.633 7 HG21 THR 1 1HG2 THR 1 -4.070 -8.869 3.057 8 HG22 THR 1 2HG2 THR 1 -2.665 -8.912 1.985 9 HG23 THR 1 3HG2 THR 1 -4.205 -9.616 1.465 10 H CYS 2 H CYS 2 -5.054 -4.318 2.742 11 HA CYS 2 HA CYS 2 -3.880 -2.789 0.553 12 HB2 CYS 2 2HB CYS 2 -6.727 -2.720 1.576 13 HB3 CYS 2 1HB CYS 2 -6.063 -1.644 0.354 14 H VAL 3 H VAL 3 -2.820 -1.117 1.207 15 HA VAL 3 HA VAL 3 -3.489 0.024 3.814 16 HB VAL 3 HB VAL 3 -1.134 0.933 3.869 17 HG11 VAL 3 1HG1 VAL 3 -0.034 -1.187 4.414 18 HG12 VAL 3 2HG1 VAL 3 -1.343 -2.067 3.625 19 HG13 VAL 3 3HG1 VAL 3 -1.668 -1.120 5.076 20 HG21 VAL 3 1HG2 VAL 3 -0.677 0.891 1.476 21 HG22 VAL 3 2HG2 VAL 3 -0.744 -0.871 1.488 22 HG23 VAL 3 3HG2 VAL 3 0.539 -0.031 2.362 23 H GLU 4 H GLU 4 -3.829 2.182 3.980 24 HA GLU 4 HA GLU 4 -4.014 3.652 1.444 25 HB2 GLU 4 2HB GLU 4 -6.212 2.822 2.279 26 HB3 GLU 4 1HB GLU 4 -5.938 3.695 3.771 27 HG2 GLU 4 2HG GLU 4 -6.046 5.800 2.622 28 HG3 GLU 4 1HG GLU 4 -6.217 4.991 1.064 29 H CYS 5 H CYS 5 -2.455 5.094 1.589 30 HA CYS 5 HA CYS 5 -2.113 6.587 4.110 31 HB2 CYS 5 2HB CYS 5 -0.228 4.987 3.585 32 HB3 CYS 5 1HB CYS 5 0.066 5.916 2.132 33 H DAL 6 H DAL 6 -2.773 8.568 3.783 34 HA DAL 6 HA DAL 6 -1.639 10.330 2.001 35 HB1 DAL 6 1HB DAL 6 -2.771 10.989 4.081 36 HB2 DAL 6 2HB DAL 6 -4.328 10.708 3.304 37 HB3 DAL 6 3HB DAL 6 -3.251 11.962 2.695 38 HA DPR 7 HA DPR 7 -5.185 9.947 -1.144 39 HB2 DPR 7 1HB DPR 7 -6.863 7.658 -0.636 40 HB3 DPR 7 2HB DPR 7 -7.317 9.362 -0.618 41 HG2 DPR 7 1HG DPR 7 -7.277 7.777 1.617 42 HG3 DPR 7 2HG DPR 7 -7.065 9.535 1.650 43 HD2 DPR 7 1HD DPR 7 -4.981 7.383 1.741 44 HD3 DPR 7 2HD DPR 7 -5.103 8.871 2.703 45 H VAL 8 H VAL 8 -2.930 7.838 -0.329 46 HA VAL 8 HA VAL 8 -3.069 6.457 -2.878 47 HB VAL 8 HB VAL 8 -0.820 6.526 -0.841 48 HG11 VAL 8 1HG1 VAL 8 -0.750 4.531 -2.246 49 HG12 VAL 8 2HG1 VAL 8 0.575 5.625 -2.633 50 HG13 VAL 8 3HG1 VAL 8 -0.831 5.535 -3.695 51 HG21 VAL 8 1HG2 VAL 8 -1.243 8.729 -1.811 52 HG22 VAL 8 2HG2 VAL 8 -1.118 8.034 -3.431 53 HG23 VAL 8 3HG2 VAL 8 0.292 8.065 -2.373 54 H LYS 9 H LYS 9 -4.132 4.625 -2.824 55 HA LYS 9 HA LYS 9 -3.700 2.888 -0.534 56 HB2 LYS 9 2HB LYS 9 -5.992 3.698 -0.509 57 HB3 LYS 9 1HB LYS 9 -6.207 3.176 -2.172 58 HG2 LYS 9 2HG LYS 9 -6.251 0.916 -1.593 59 HG3 LYS 9 1HG LYS 9 -5.484 1.208 -0.032 60 HD2 LYS 9 2HD LYS 9 -7.873 0.710 0.198 61 HD3 LYS 9 1HD LYS 9 -7.473 2.323 0.771 62 HE2 LYS 9 2HE LYS 9 -8.220 3.185 -1.473 63 HE3 LYS 9 1HE LYS 9 -8.831 1.561 -1.798 64 HZ1 LYS 9 1HZ LYS 9 -9.592 3.311 0.439 65 HZ2 LYS 9 2HZ LYS 9 -10.202 1.758 0.203 66 HZ3 LYS 9 3HZ LYS 9 -10.576 2.987 -0.896 67 H VAL 10 H VAL 10 -2.744 1.171 -0.934 68 HA VAL 10 HA VAL 10 -2.782 0.098 -3.641 69 HB VAL 10 HB VAL 10 -0.378 -0.628 -3.243 70 HG11 VAL 10 1HG1 VAL 10 0.588 1.580 -3.787 71 HG12 VAL 10 2HG1 VAL 10 -0.933 2.346 -3.322 72 HG13 VAL 10 3HG1 VAL 10 -0.878 1.259 -4.709 73 HG21 VAL 10 1HG2 VAL 10 -0.327 -0.374 -0.832 74 HG22 VAL 10 2HG2 VAL 10 -0.603 1.357 -0.993 75 HG23 VAL 10 3HG2 VAL 10 0.904 0.653 -1.568 76 H CYS 11 H CYS 11 -2.680 -2.130 -3.802 77 HA CYS 11 HA CYS 11 -3.115 -3.572 -1.297 78 HB2 CYS 11 2HB CYS 11 -4.531 -3.965 -3.942 79 HB3 CYS 11 1HB CYS 11 -4.709 -5.008 -2.540 80 H ARG 12 H ARG 12 -1.974 -5.412 -1.062 81 HA ARG 12 HA ARG 12 -0.734 -6.727 -3.305 82 HB2 ARG 12 2HB ARG 12 0.734 -4.717 -2.615 83 HB3 ARG 12 1HB ARG 12 0.965 -5.549 -1.094 84 HG2 ARG 12 2HG ARG 12 2.862 -5.908 -2.450 85 HG3 ARG 12 1HG ARG 12 1.984 -7.435 -2.338 86 HD2 ARG 12 2HD ARG 12 2.770 -7.039 -4.599 87 HD3 ARG 12 1HD ARG 12 1.008 -6.995 -4.556 88 HE ARG 12 HE ARG 12 1.503 -4.432 -4.350 89 HH11 ARG 12 1HH1 ARG 12 3.157 -6.747 -6.476 90 HH12 ARG 12 2HH1 ARG 12 3.441 -5.600 -7.695 91 HH21 ARG 12 1HH2 ARG 12 1.910 -2.892 -6.026 92 HH22 ARG 12 2HH2 ARG 12 2.758 -3.369 -7.431 93 HA PRO 13 HA PRO 13 -1.593 -10.260 -0.640 94 HB2 PRO 13 2HB PRO 13 1.236 -10.963 -1.340 95 HB3 PRO 13 1HB PRO 13 -0.189 -12.008 -1.283 96 HG2 PRO 13 2HG PRO 13 0.650 -11.115 -3.611 97 HG3 PRO 13 1HG PRO 13 -1.083 -11.123 -3.241 98 HD2 PRO 13 2HD PRO 13 0.814 -8.834 -3.362 99 HD3 PRO 13 1HD PRO 13 -0.916 -8.892 -3.754 100 H ASP 14 H ASP 14 1.710 -8.939 -0.219 101 HA ASP 14 HA ASP 14 1.400 -9.481 2.646 102 HB2 ASP 14 2HB ASP 14 3.926 -8.842 1.095 103 HB3 ASP 14 1HB ASP 14 3.858 -9.020 2.840 104 HA PRO 15 HA PRO 15 0.526 -5.235 3.565 105 HB2 PRO 15 2HB PRO 15 1.785 -5.194 6.062 106 HB3 PRO 15 1HB PRO 15 0.120 -5.693 5.782 107 HG2 PRO 15 2HG PRO 15 2.573 -7.361 6.084 108 HG3 PRO 15 1HG PRO 15 0.928 -7.668 6.666 109 HD2 PRO 15 2HD PRO 15 1.895 -8.938 4.542 110 HD3 PRO 15 1HD PRO 15 0.199 -8.407 4.580 111 H GLU 16 H GLU 16 3.750 -6.460 4.255 112 HA GLU 16 HA GLU 16 5.044 -3.957 4.282 113 HB2 GLU 16 2HB GLU 16 7.130 -5.303 4.031 114 HB3 GLU 16 1HB GLU 16 6.088 -5.780 5.363 115 HG2 GLU 16 2HG GLU 16 5.337 -7.707 4.217 116 HG3 GLU 16 1HG GLU 16 6.066 -7.168 2.705 117 H GLU 17 H GLU 17 4.353 -6.237 1.725 118 HA GLU 17 HA GLU 17 6.084 -4.963 -0.170 119 HB2 GLU 17 2HB GLU 17 5.256 -7.419 -0.096 120 HB3 GLU 17 1HB GLU 17 3.796 -6.802 -0.844 121 HG2 GLU 17 2HG GLU 17 5.159 -7.638 -2.593 122 HG3 GLU 17 1HG GLU 17 5.261 -5.882 -2.675 123 H ALA 18 H ALA 18 2.754 -4.787 0.842 124 HA ALA 18 HA ALA 18 1.826 -3.047 -1.204 125 HB1 ALA 18 1HB ALA 18 0.845 -3.332 1.649 126 HB2 ALA 18 2HB ALA 18 0.269 -4.285 0.288 127 HB3 ALA 18 3HB ALA 18 -0.028 -2.550 0.334 128 H ARG 19 H ARG 19 3.141 -2.580 2.037 129 HA ARG 19 HA ARG 19 3.051 0.196 2.014 130 HB2 ARG 19 2HB ARG 19 4.808 -1.658 3.569 131 HB3 ARG 19 1HB ARG 19 4.896 0.085 3.750 132 HG2 ARG 19 2HG ARG 19 2.500 0.113 4.358 133 HG3 ARG 19 1HG ARG 19 2.493 -1.650 4.274 134 HD2 ARG 19 2HD ARG 19 2.754 -0.873 6.564 135 HD3 ARG 19 1HD ARG 19 4.189 -1.744 6.019 136 HE ARG 19 HE ARG 19 4.402 1.070 5.614 137 HH11 ARG 19 1HH1 ARG 19 4.642 -1.396 8.134 138 HH12 ARG 19 2HH1 ARG 19 5.801 -0.532 9.055 139 HH21 ARG 19 1HH2 ARG 19 5.976 2.270 6.900 140 HH22 ARG 19 2HH2 ARG 19 6.538 1.567 8.361 141 H ARG 20 H ARG 20 5.387 -1.971 0.663 142 HA ARG 20 HA ARG 20 7.552 -0.360 0.129 143 HB2 ARG 20 2HB ARG 20 7.285 -2.724 -0.606 144 HB3 ARG 20 1HB ARG 20 6.205 -2.175 -1.876 145 HG2 ARG 20 2HG ARG 20 8.149 -0.739 -2.683 146 HG3 ARG 20 1HG ARG 20 9.156 -1.714 -1.612 147 HD2 ARG 20 2HD ARG 20 9.276 -2.731 -3.742 148 HD3 ARG 20 1HD ARG 20 8.198 -3.745 -2.784 149 HE ARG 20 HE ARG 20 6.921 -1.704 -4.404 150 HH11 ARG 20 1HH1 ARG 20 7.535 -5.152 -3.979 151 HH12 ARG 20 2HH1 ARG 20 6.782 -5.612 -5.427 152 HH21 ARG 20 1HH2 ARG 20 5.874 -2.271 -6.274 153 HH22 ARG 20 2HH2 ARG 20 5.742 -3.888 -6.815 154 H GLU 21 H GLU 21 4.490 -0.537 -1.574 155 HA GLU 21 HA GLU 21 5.098 1.489 -3.512 156 HB2 GLU 21 2HB GLU 21 2.486 0.193 -2.745 157 HB3 GLU 21 1HB GLU 21 2.781 1.148 -4.191 158 HG2 GLU 21 2HG GLU 21 4.151 -1.444 -3.534 159 HG3 GLU 21 1HG GLU 21 2.746 -1.286 -4.586 160 H ALA 22 H ALA 22 3.156 1.154 -0.598 161 HA ALA 22 HA ALA 22 1.862 3.629 -0.651 162 HB1 ALA 22 1HB ALA 22 1.213 1.714 0.784 163 HB2 ALA 22 2HB ALA 22 1.253 3.269 1.609 164 HB3 ALA 22 3HB ALA 22 2.567 2.121 1.847 165 H GLU 23 H GLU 23 4.784 2.745 1.208 166 HA GLU 23 HA GLU 23 5.137 5.235 2.460 167 HB2 GLU 23 2HB GLU 23 7.319 3.303 1.664 168 HB3 GLU 23 1HB GLU 23 7.401 4.507 2.935 169 HG2 GLU 23 2HG GLU 23 5.585 2.105 2.925 170 HG3 GLU 23 1HG GLU 23 7.125 2.220 3.764 171 H GLU 24 H GLU 24 6.083 4.029 -0.613 172 HA GLU 24 HA GLU 24 7.958 6.053 -1.284 173 HB2 GLU 24 2HB GLU 24 8.025 3.761 -2.102 174 HB3 GLU 24 1HB GLU 24 6.510 4.006 -2.940 175 HG2 GLU 24 2HG GLU 24 7.550 5.571 -4.438 176 HG3 GLU 24 1HG GLU 24 9.062 5.474 -3.530 177 H ARG 25 H ARG 25 4.532 5.518 -1.949 178 HA ARG 25 HA ARG 25 4.481 7.912 -3.633 179 HB2 ARG 25 2HB ARG 25 2.502 5.682 -3.253 180 HB3 ARG 25 1HB ARG 25 2.179 7.096 -4.257 181 HG2 ARG 25 2HG ARG 25 3.965 6.524 -5.738 182 HG3 ARG 25 1HG ARG 25 4.524 5.255 -4.650 183 HD2 ARG 25 2HD ARG 25 3.324 4.347 -6.570 184 HD3 ARG 25 1HD ARG 25 2.487 3.984 -5.062 185 HE ARG 25 HE ARG 25 1.426 6.334 -6.127 186 HH11 ARG 25 1HH1 ARG 25 1.608 2.941 -7.081 187 HH12 ARG 25 2HH1 ARG 25 0.087 2.911 -7.845 188 HH21 ARG 25 1HH2 ARG 25 -0.618 6.322 -7.145 189 HH22 ARG 25 2HH2 ARG 25 -1.247 4.893 -7.846 190 H CYS 26 H CYS 26 3.881 7.148 -0.460 191 HA CYS 26 HA CYS 26 1.783 9.148 -0.147 192 HB2 CYS 26 2HB CYS 26 1.554 6.991 1.052 193 HB3 CYS 26 1HB CYS 26 3.062 7.313 1.883 194 HN1 NH2 27 HN1 NH2 27 2.759 11.087 -0.386 195 HN2 NH2 27 HN2 NH2 27 4.098 11.639 0.555 Start of MODEL 15 1 H1 THR 1 1HT THR 1 -4.367 -6.964 4.347 2 H2 THR 1 2HT THR 1 -5.536 -6.074 3.548 3 H3 THR 1 3HT THR 1 -4.205 -5.273 4.252 4 HA THR 1 HA THR 1 -2.785 -6.553 2.698 5 HB THR 1 HB THR 1 -4.111 -7.396 0.681 6 HG1 THR 1 1HG THR 1 -6.263 -7.850 1.063 7 HG21 THR 1 1HG2 THR 1 -4.522 -9.564 1.745 8 HG22 THR 1 2HG2 THR 1 -4.435 -8.787 3.329 9 HG23 THR 1 3HG2 THR 1 -2.998 -8.866 2.307 10 H CYS 2 H CYS 2 -5.248 -4.205 2.825 11 HA CYS 2 HA CYS 2 -4.061 -2.855 0.514 12 HB2 CYS 2 2HB CYS 2 -6.835 -2.479 1.657 13 HB3 CYS 2 1HB CYS 2 -6.174 -1.695 0.228 14 H VAL 3 H VAL 3 -2.674 -1.440 1.270 15 HA VAL 3 HA VAL 3 -3.291 -0.218 3.823 16 HB VAL 3 HB VAL 3 -1.068 0.768 3.874 17 HG11 VAL 3 1HG1 VAL 3 0.321 -1.246 3.945 18 HG12 VAL 3 2HG1 VAL 3 -0.959 -2.134 3.119 19 HG13 VAL 3 3HG1 VAL 3 -1.246 -1.463 4.725 20 HG21 VAL 3 1HG2 VAL 3 0.606 0.308 2.125 21 HG22 VAL 3 2HG2 VAL 3 -0.748 1.271 1.529 22 HG23 VAL 3 3HG2 VAL 3 -0.658 -0.449 1.155 23 H GLU 4 H GLU 4 -3.512 1.912 4.144 24 HA GLU 4 HA GLU 4 -4.248 3.440 1.758 25 HB2 GLU 4 2HB GLU 4 -5.626 3.382 4.462 26 HB3 GLU 4 1HB GLU 4 -6.126 4.333 3.065 27 HG2 GLU 4 2HG GLU 4 -6.648 2.350 1.815 28 HG3 GLU 4 1HG GLU 4 -5.964 1.329 3.066 29 H CYS 5 H CYS 5 -2.826 5.026 1.566 30 HA CYS 5 HA CYS 5 -1.878 6.413 3.974 31 HB2 CYS 5 2HB CYS 5 -0.126 4.902 3.169 32 HB3 CYS 5 1HB CYS 5 -0.273 5.565 1.551 33 H DAL 6 H DAL 6 -3.063 8.254 3.748 34 HA DAL 6 HA DAL 6 -2.209 10.234 2.005 35 HB1 DAL 6 1HB DAL 6 -4.861 10.197 3.442 36 HB2 DAL 6 2HB DAL 6 -4.022 11.612 2.813 37 HB3 DAL 6 3HB DAL 6 -3.323 10.696 4.146 38 HA DPR 7 HA DPR 7 -5.796 9.481 -1.026 39 HB2 DPR 7 1HB DPR 7 -7.500 7.453 -0.782 40 HB3 DPR 7 2HB DPR 7 -7.681 8.896 0.229 41 HG2 DPR 7 1HG DPR 7 -6.424 6.257 0.901 42 HG3 DPR 7 2HG DPR 7 -7.597 7.195 1.840 43 HD2 DPR 7 1HD DPR 7 -4.905 7.251 2.292 44 HD3 DPR 7 2HD DPR 7 -5.991 8.608 2.653 45 H VAL 8 H VAL 8 -3.239 7.749 -0.473 46 HA VAL 8 HA VAL 8 -3.418 6.264 -2.939 47 HB VAL 8 HB VAL 8 -1.120 6.425 -0.950 48 HG11 VAL 8 1HG1 VAL 8 0.288 5.652 -2.807 49 HG12 VAL 8 2HG1 VAL 8 -1.142 5.499 -3.825 50 HG13 VAL 8 3HG1 VAL 8 -0.960 4.473 -2.403 51 HG21 VAL 8 1HG2 VAL 8 -1.580 8.014 -3.477 52 HG22 VAL 8 2HG2 VAL 8 -0.116 8.059 -2.494 53 HG23 VAL 8 3HG2 VAL 8 -1.643 8.637 -1.829 54 H LYS 9 H LYS 9 -4.364 4.329 -2.905 55 HA LYS 9 HA LYS 9 -4.006 2.694 -0.509 56 HB2 LYS 9 2HB LYS 9 -6.296 2.604 -2.464 57 HB3 LYS 9 1HB LYS 9 -6.117 1.650 -1.006 58 HG2 LYS 9 2HG LYS 9 -6.155 3.829 0.273 59 HG3 LYS 9 1HG LYS 9 -6.644 4.593 -1.240 60 HD2 LYS 9 2HD LYS 9 -8.570 3.071 -1.367 61 HD3 LYS 9 1HD LYS 9 -8.104 2.368 0.182 62 HE2 LYS 9 2HE LYS 9 -8.234 4.734 1.105 63 HE3 LYS 9 1HE LYS 9 -9.048 5.155 -0.401 64 HZ1 LYS 9 1HZ LYS 9 -9.886 3.220 1.644 65 HZ2 LYS 9 2HZ LYS 9 -10.685 3.353 0.160 66 HZ3 LYS 9 3HZ LYS 9 -10.675 4.652 1.256 67 H VAL 10 H VAL 10 -3.067 0.809 -0.810 68 HA VAL 10 HA VAL 10 -3.115 -0.292 -3.484 69 HB VAL 10 HB VAL 10 -0.945 0.699 -3.440 70 HG11 VAL 10 1HG1 VAL 10 -0.654 0.965 -1.058 71 HG12 VAL 10 2HG1 VAL 10 0.751 0.169 -1.780 72 HG13 VAL 10 3HG1 VAL 10 -0.441 -0.777 -0.887 73 HG21 VAL 10 1HG2 VAL 10 -1.044 -1.484 -4.495 74 HG22 VAL 10 2HG2 VAL 10 -0.703 -2.263 -2.951 75 HG23 VAL 10 3HG2 VAL 10 0.523 -1.254 -3.716 76 H CYS 11 H CYS 11 -3.883 -2.183 -3.550 77 HA CYS 11 HA CYS 11 -3.853 -3.860 -1.179 78 HB2 CYS 11 2HB CYS 11 -5.233 -4.218 -3.845 79 HB3 CYS 11 1HB CYS 11 -5.385 -5.302 -2.469 80 H ARG 12 H ARG 12 -2.444 -5.392 -0.925 81 HA ARG 12 HA ARG 12 -1.063 -6.574 -3.209 82 HB2 ARG 12 2HB ARG 12 0.013 -4.425 -1.981 83 HB3 ARG 12 1HB ARG 12 0.473 -5.664 -0.831 84 HG2 ARG 12 2HG ARG 12 2.294 -5.212 -2.308 85 HG3 ARG 12 1HG ARG 12 1.685 -6.837 -2.624 86 HD2 ARG 12 2HD ARG 12 0.714 -6.201 -4.656 87 HD3 ARG 12 1HD ARG 12 0.714 -4.490 -4.226 88 HE ARG 12 HE ARG 12 2.991 -4.365 -4.656 89 HH11 ARG 12 1HH1 ARG 12 1.611 -7.483 -5.708 90 HH12 ARG 12 2HH1 ARG 12 2.984 -7.940 -6.580 91 HH21 ARG 12 1HH2 ARG 12 4.874 -5.022 -5.910 92 HH22 ARG 12 2HH2 ARG 12 4.886 -6.526 -6.688 93 HA PRO 13 HA PRO 13 -1.949 -10.089 -0.479 94 HB2 PRO 13 2HB PRO 13 0.667 -11.138 -1.442 95 HB3 PRO 13 1HB PRO 13 -0.917 -11.922 -1.441 96 HG2 PRO 13 2HG PRO 13 0.102 -10.987 -3.704 97 HG3 PRO 13 1HG PRO 13 -1.624 -10.787 -3.348 98 HD2 PRO 13 2HD PRO 13 0.594 -8.788 -3.189 99 HD3 PRO 13 1HD PRO 13 -1.084 -8.586 -3.739 100 H ASP 14 H ASP 14 1.323 -8.827 -0.599 101 HA ASP 14 HA ASP 14 1.658 -9.468 2.226 102 HB2 ASP 14 2HB ASP 14 3.714 -8.583 0.180 103 HB3 ASP 14 1HB ASP 14 4.058 -8.853 1.880 104 HA PRO 15 HA PRO 15 0.501 -5.161 2.863 105 HB2 PRO 15 2HB PRO 15 1.108 -5.145 5.558 106 HB3 PRO 15 1HB PRO 15 -0.426 -5.716 4.895 107 HG2 PRO 15 2HG PRO 15 1.986 -7.288 5.705 108 HG3 PRO 15 1HG PRO 15 0.277 -7.647 6.003 109 HD2 PRO 15 2HD PRO 15 1.654 -8.883 4.107 110 HD3 PRO 15 1HD PRO 15 -0.045 -8.428 3.838 111 H GLU 16 H GLU 16 3.439 -6.672 3.860 112 HA GLU 16 HA GLU 16 5.103 -4.497 4.468 113 HB2 GLU 16 2HB GLU 16 5.890 -6.991 2.981 114 HB3 GLU 16 1HB GLU 16 6.931 -5.954 3.937 115 HG2 GLU 16 2HG GLU 16 5.799 -6.625 5.949 116 HG3 GLU 16 1HG GLU 16 4.673 -7.610 5.010 117 H GLU 17 H GLU 17 4.537 -6.242 1.457 118 HA GLU 17 HA GLU 17 6.228 -4.719 -0.211 119 HB2 GLU 17 2HB GLU 17 5.336 -7.036 -0.664 120 HB3 GLU 17 1HB GLU 17 3.776 -6.309 -1.003 121 HG2 GLU 17 2HG GLU 17 4.779 -6.694 -3.092 122 HG3 GLU 17 1HG GLU 17 4.941 -4.965 -2.797 123 H ALA 18 H ALA 18 2.845 -4.576 0.652 124 HA ALA 18 HA ALA 18 1.946 -2.591 -1.105 125 HB1 ALA 18 1HB ALA 18 0.436 -3.989 0.258 126 HB2 ALA 18 2HB ALA 18 0.097 -2.275 0.461 127 HB3 ALA 18 3HB ALA 18 0.989 -3.147 1.705 128 H ARG 19 H ARG 19 3.019 -2.278 2.277 129 HA ARG 19 HA ARG 19 2.951 0.526 2.390 130 HB2 ARG 19 2HB ARG 19 4.719 -1.397 3.893 131 HB3 ARG 19 1HB ARG 19 4.571 0.311 4.265 132 HG2 ARG 19 2HG ARG 19 2.161 -0.061 4.729 133 HG3 ARG 19 1HG ARG 19 2.434 -1.793 4.483 134 HD2 ARG 19 2HD ARG 19 2.531 -1.168 6.868 135 HD3 ARG 19 1HD ARG 19 4.064 -1.821 6.280 136 HE ARG 19 HE ARG 19 3.852 1.031 6.106 137 HH11 ARG 19 1HH1 ARG 19 4.743 -1.595 8.319 138 HH12 ARG 19 2HH1 ARG 19 5.880 -0.683 9.171 139 HH21 ARG 19 1HH2 ARG 19 5.431 2.271 7.228 140 HH22 ARG 19 2HH2 ARG 19 6.270 1.594 8.557 141 H ARG 20 H ARG 20 5.507 -1.695 1.554 142 HA ARG 20 HA ARG 20 7.668 -0.019 1.296 143 HB2 ARG 20 2HB ARG 20 7.708 -2.452 1.261 144 HB3 ARG 20 1HB ARG 20 6.937 -2.451 -0.308 145 HG2 ARG 20 2HG ARG 20 8.916 -1.412 -1.276 146 HG3 ARG 20 1HG ARG 20 9.688 -1.398 0.316 147 HD2 ARG 20 2HD ARG 20 9.448 -3.816 0.448 148 HD3 ARG 20 1HD ARG 20 8.699 -3.840 -1.140 149 HE ARG 20 HE ARG 20 11.415 -2.798 -0.857 150 HH11 ARG 20 1HH1 ARG 20 9.191 -5.267 -2.158 151 HH12 ARG 20 2HH1 ARG 20 10.419 -6.119 -2.961 152 HH21 ARG 20 1HH2 ARG 20 13.074 -3.987 -1.996 153 HH22 ARG 20 2HH2 ARG 20 12.666 -5.382 -2.884 154 H GLU 21 H GLU 21 5.121 -0.665 -1.111 155 HA GLU 21 HA GLU 21 6.460 1.183 -2.882 156 HB2 GLU 21 2HB GLU 21 4.618 0.679 -4.525 157 HB3 GLU 21 1HB GLU 21 5.609 -0.691 -4.071 158 HG2 GLU 21 2HG GLU 21 3.841 -1.468 -2.574 159 HG3 GLU 21 1HG GLU 21 2.855 -0.075 -3.020 160 H ALA 22 H ALA 22 3.617 1.158 -0.857 161 HA ALA 22 HA ALA 22 2.456 3.538 -1.834 162 HB1 ALA 22 1HB ALA 22 1.234 1.908 -0.468 163 HB2 ALA 22 2HB ALA 22 1.118 3.543 0.179 164 HB3 ALA 22 3HB ALA 22 2.202 2.373 0.929 165 H GLU 23 H GLU 23 4.781 2.989 0.797 166 HA GLU 23 HA GLU 23 4.677 5.670 1.721 167 HB2 GLU 23 2HB GLU 23 6.808 3.585 2.198 168 HB3 GLU 23 1HB GLU 23 6.633 5.096 3.082 169 HG2 GLU 23 2HG GLU 23 4.440 4.371 3.882 170 HG3 GLU 23 1HG GLU 23 4.631 2.851 3.016 171 H GLU 24 H GLU 24 6.175 4.288 -0.920 172 HA GLU 24 HA GLU 24 8.269 6.232 -1.248 173 HB2 GLU 24 2HB GLU 24 6.982 4.295 -3.163 174 HB3 GLU 24 1HB GLU 24 8.316 5.354 -3.594 175 HG2 GLU 24 2HG GLU 24 8.417 3.305 -1.401 176 HG3 GLU 24 1HG GLU 24 8.987 3.049 -3.051 177 H ARG 25 H ARG 25 4.923 5.924 -2.063 178 HA ARG 25 HA ARG 25 4.914 8.216 -3.834 179 HB2 ARG 25 2HB ARG 25 2.638 6.602 -2.660 180 HB3 ARG 25 1HB ARG 25 2.447 7.883 -3.846 181 HG2 ARG 25 2HG ARG 25 3.923 5.293 -4.254 182 HG3 ARG 25 1HG ARG 25 2.326 5.697 -4.887 183 HD2 ARG 25 2HD ARG 25 3.307 7.532 -6.178 184 HD3 ARG 25 1HD ARG 25 4.908 7.123 -5.555 185 HE ARG 25 HE ARG 25 3.558 4.968 -6.847 186 HH11 ARG 25 1HH1 ARG 25 5.736 7.721 -7.313 187 HH12 ARG 25 2HH1 ARG 25 6.319 7.199 -8.817 188 HH21 ARG 25 1HH2 ARG 25 4.370 4.226 -8.897 189 HH22 ARG 25 2HH2 ARG 25 5.520 5.144 -9.748 190 H CYS 26 H CYS 26 4.061 7.384 -0.572 191 HA CYS 26 HA CYS 26 3.112 10.003 0.090 192 HB2 CYS 26 2HB CYS 26 3.955 7.726 1.896 193 HB3 CYS 26 1HB CYS 26 3.026 9.140 2.377 194 HN1 NH2 27 HN1 NH2 27 4.789 11.379 -0.451 195 HN2 NH2 27 HN2 NH2 27 6.294 11.443 0.399 Start of MODEL 16 1 H1 THR 1 1HT THR 1 -4.948 -7.365 0.636 2 H2 THR 1 2HT THR 1 -4.064 -8.493 1.520 3 H3 THR 1 3HT THR 1 -3.290 -7.504 0.378 4 HA THR 1 HA THR 1 -4.596 -6.557 2.828 5 HB THR 1 HB THR 1 -1.640 -6.785 2.163 6 HG1 THR 1 1HG THR 1 -1.981 -8.798 2.814 7 HG21 THR 1 1HG2 THR 1 -3.060 -5.972 4.712 8 HG22 THR 1 2HG2 THR 1 -2.180 -4.888 3.634 9 HG23 THR 1 3HG2 THR 1 -1.317 -6.148 4.518 10 H CYS 2 H CYS 2 -5.333 -4.534 2.437 11 HA CYS 2 HA CYS 2 -3.940 -2.937 0.429 12 HB2 CYS 2 2HB CYS 2 -6.717 -2.608 1.572 13 HB3 CYS 2 1HB CYS 2 -6.011 -1.656 0.271 14 H VAL 3 H VAL 3 -3.051 -1.040 0.981 15 HA VAL 3 HA VAL 3 -3.427 -0.171 3.745 16 HB VAL 3 HB VAL 3 -1.147 0.710 3.810 17 HG11 VAL 3 1HG1 VAL 3 -1.482 -1.560 4.559 18 HG12 VAL 3 2HG1 VAL 3 0.119 -1.372 3.842 19 HG13 VAL 3 3HG1 VAL 3 -1.171 -2.165 2.934 20 HG21 VAL 3 1HG2 VAL 3 0.485 0.203 2.017 21 HG22 VAL 3 2HG2 VAL 3 -0.809 1.272 1.480 22 HG23 VAL 3 3HG2 VAL 3 -0.836 -0.431 1.030 23 H GLU 4 H GLU 4 -3.631 2.021 4.086 24 HA GLU 4 HA GLU 4 -4.137 3.627 1.665 25 HB2 GLU 4 2HB GLU 4 -5.622 3.762 4.289 26 HB3 GLU 4 1HB GLU 4 -6.021 4.607 2.804 27 HG2 GLU 4 2HG GLU 4 -6.598 2.526 1.723 28 HG3 GLU 4 1HG GLU 4 -6.084 1.620 3.143 29 H CYS 5 H CYS 5 -2.771 5.316 1.621 30 HA CYS 5 HA CYS 5 -2.183 6.679 4.113 31 HB2 CYS 5 2HB CYS 5 0.213 6.973 3.188 32 HB3 CYS 5 1HB CYS 5 -0.223 5.447 3.943 33 H DAL 6 H DAL 6 -2.946 8.611 3.922 34 HA DAL 6 HA DAL 6 -1.956 10.540 2.248 35 HB1 DAL 6 1HB DAL 6 -4.637 10.669 3.613 36 HB2 DAL 6 2HB DAL 6 -3.660 12.029 3.064 37 HB3 DAL 6 3HB DAL 6 -3.083 11.003 4.376 38 HA DPR 7 HA DPR 7 -5.519 10.290 -0.858 39 HB2 DPR 7 1HB DPR 7 -7.431 8.445 -0.789 40 HB3 DPR 7 2HB DPR 7 -7.473 9.841 0.294 41 HG2 DPR 7 1HG DPR 7 -6.644 7.017 0.853 42 HG3 DPR 7 2HG DPR 7 -7.603 8.116 1.858 43 HD2 DPR 7 1HD DPR 7 -4.885 7.636 2.163 44 HD3 DPR 7 2HD DPR 7 -5.742 9.059 2.779 45 H VAL 8 H VAL 8 -3.424 7.838 -0.182 46 HA VAL 8 HA VAL 8 -3.807 6.620 -2.825 47 HB VAL 8 HB VAL 8 -1.275 6.744 -1.155 48 HG11 VAL 8 1HG1 VAL 8 -1.324 4.822 -2.640 49 HG12 VAL 8 2HG1 VAL 8 -0.134 5.997 -3.196 50 HG13 VAL 8 3HG1 VAL 8 -1.692 5.867 -4.011 51 HG21 VAL 8 1HG2 VAL 8 -0.459 8.396 -2.790 52 HG22 VAL 8 2HG2 VAL 8 -1.874 8.978 -1.911 53 HG23 VAL 8 3HG2 VAL 8 -2.045 8.393 -3.565 54 H LYS 9 H LYS 9 -4.674 4.597 -2.699 55 HA LYS 9 HA LYS 9 -3.800 2.969 -0.467 56 HB2 LYS 9 2HB LYS 9 -5.961 1.858 -0.490 57 HB3 LYS 9 1HB LYS 9 -6.119 3.566 -0.112 58 HG2 LYS 9 2HG LYS 9 -6.832 3.929 -2.471 59 HG3 LYS 9 1HG LYS 9 -6.807 2.178 -2.696 60 HD2 LYS 9 2HD LYS 9 -8.415 1.957 -0.831 61 HD3 LYS 9 1HD LYS 9 -8.481 3.714 -0.716 62 HE2 LYS 9 2HE LYS 9 -9.285 3.794 -3.060 63 HE3 LYS 9 1HE LYS 9 -9.307 2.032 -3.074 64 HZ1 LYS 9 1HZ LYS 9 -10.900 3.782 -1.290 65 HZ2 LYS 9 2HZ LYS 9 -10.884 2.117 -1.207 66 HZ3 LYS 9 3HZ LYS 9 -11.496 2.882 -2.584 67 H VAL 10 H VAL 10 -2.989 1.076 -0.922 68 HA VAL 10 HA VAL 10 -3.271 0.026 -3.641 69 HB VAL 10 HB VAL 10 -1.124 1.248 -3.549 70 HG11 VAL 10 1HG1 VAL 10 -0.624 1.079 -1.207 71 HG12 VAL 10 2HG1 VAL 10 0.728 0.468 -2.164 72 HG13 VAL 10 3HG1 VAL 10 -0.366 -0.658 -1.359 73 HG21 VAL 10 1HG2 VAL 10 -0.776 -1.743 -3.708 74 HG22 VAL 10 2HG2 VAL 10 0.372 -0.556 -4.319 75 HG23 VAL 10 3HG2 VAL 10 -1.241 -0.667 -5.026 76 H CYS 11 H CYS 11 -3.097 -2.252 -3.824 77 HA CYS 11 HA CYS 11 -3.264 -3.661 -1.257 78 HB2 CYS 11 2HB CYS 11 -4.705 -4.323 -3.833 79 HB3 CYS 11 1HB CYS 11 -4.861 -5.175 -2.303 80 H ARG 12 H ARG 12 -1.879 -5.228 -0.938 81 HA ARG 12 HA ARG 12 -0.670 -6.685 -3.146 82 HB2 ARG 12 2HB ARG 12 0.873 -5.246 -0.949 83 HB3 ARG 12 1HB ARG 12 1.568 -6.525 -1.920 84 HG2 ARG 12 2HG ARG 12 0.458 -4.002 -3.129 85 HG3 ARG 12 1HG ARG 12 2.132 -4.155 -2.596 86 HD2 ARG 12 2HD ARG 12 0.832 -6.011 -4.584 87 HD3 ARG 12 1HD ARG 12 1.754 -4.574 -5.031 88 HE ARG 12 HE ARG 12 3.518 -5.818 -3.514 89 HH11 ARG 12 1HH1 ARG 12 1.494 -7.156 -6.117 90 HH12 ARG 12 2HH1 ARG 12 2.648 -8.307 -6.595 91 HH21 ARG 12 1HH2 ARG 12 5.122 -7.443 -4.172 92 HH22 ARG 12 2HH2 ARG 12 4.736 -8.458 -5.478 93 HA PRO 13 HA PRO 13 -1.515 -10.098 -0.465 94 HB2 PRO 13 2HB PRO 13 1.264 -11.098 -0.718 95 HB3 PRO 13 1HB PRO 13 -0.258 -11.890 -1.138 96 HG2 PRO 13 2HG PRO 13 1.368 -10.966 -3.044 97 HG3 PRO 13 1HG PRO 13 -0.392 -10.853 -3.203 98 HD2 PRO 13 2HD PRO 13 1.589 -8.744 -2.462 99 HD3 PRO 13 1HD PRO 13 0.153 -8.624 -3.501 100 H ASP 14 H ASP 14 1.853 -9.143 0.120 101 HA ASP 14 HA ASP 14 1.415 -9.434 2.977 102 HB2 ASP 14 2HB ASP 14 3.924 -8.905 1.380 103 HB3 ASP 14 1HB ASP 14 3.879 -8.859 3.137 104 HA PRO 15 HA PRO 15 0.656 -5.133 3.691 105 HB2 PRO 15 2HB PRO 15 1.802 -4.962 6.216 106 HB3 PRO 15 1HB PRO 15 0.147 -5.483 5.903 107 HG2 PRO 15 2HG PRO 15 2.584 -7.103 6.429 108 HG3 PRO 15 1HG PRO 15 0.915 -7.398 6.932 109 HD2 PRO 15 2HD PRO 15 2.064 -8.757 4.915 110 HD3 PRO 15 1HD PRO 15 0.336 -8.344 4.902 111 H GLU 16 H GLU 16 3.836 -6.485 4.442 112 HA GLU 16 HA GLU 16 5.266 -4.083 4.370 113 HB2 GLU 16 2HB GLU 16 7.278 -5.456 3.853 114 HB3 GLU 16 1HB GLU 16 6.363 -6.053 5.224 115 HG2 GLU 16 2HG GLU 16 5.519 -7.878 3.988 116 HG3 GLU 16 1HG GLU 16 6.055 -7.181 2.462 117 H GLU 17 H GLU 17 4.420 -6.321 1.787 118 HA GLU 17 HA GLU 17 5.784 -5.007 -0.297 119 HB2 GLU 17 2HB GLU 17 3.445 -6.890 -0.251 120 HB3 GLU 17 1HB GLU 17 4.093 -6.241 -1.750 121 HG2 GLU 17 2HG GLU 17 5.729 -7.767 0.251 122 HG3 GLU 17 1HG GLU 17 4.910 -8.508 -1.126 123 H ALA 18 H ALA 18 2.565 -4.688 1.013 124 HA ALA 18 HA ALA 18 1.565 -2.921 -0.942 125 HB1 ALA 18 1HB ALA 18 -0.187 -2.410 0.673 126 HB2 ALA 18 2HB ALA 18 0.760 -3.154 1.958 127 HB3 ALA 18 3HB ALA 18 0.119 -4.146 0.651 128 H ARG 19 H ARG 19 2.908 -2.304 2.291 129 HA ARG 19 HA ARG 19 2.882 0.475 1.940 130 HB2 ARG 19 2HB ARG 19 4.482 -1.183 3.874 131 HB3 ARG 19 1HB ARG 19 4.447 0.575 3.890 132 HG2 ARG 19 2HG ARG 19 1.948 0.406 4.161 133 HG3 ARG 19 1HG ARG 19 2.187 -1.324 4.420 134 HD2 ARG 19 2HD ARG 19 2.075 -0.170 6.549 135 HD3 ARG 19 1HD ARG 19 3.688 -0.824 6.286 136 HE ARG 19 HE ARG 19 3.743 1.772 5.333 137 HH11 ARG 19 1HH1 ARG 19 3.148 0.237 8.469 138 HH12 ARG 19 2HH1 ARG 19 3.779 1.537 9.369 139 HH21 ARG 19 1HH2 ARG 19 4.658 3.507 6.560 140 HH22 ARG 19 2HH2 ARG 19 4.667 3.427 8.267 141 H ARG 20 H ARG 20 5.276 -1.933 1.220 142 HA ARG 20 HA ARG 20 7.574 -0.575 0.750 143 HB2 ARG 20 2HB ARG 20 7.326 -2.952 0.425 144 HB3 ARG 20 1HB ARG 20 6.277 -2.688 -0.954 145 HG2 ARG 20 2HG ARG 20 8.151 -1.701 -2.165 146 HG3 ARG 20 1HG ARG 20 9.202 -2.029 -0.781 147 HD2 ARG 20 2HD ARG 20 8.706 -4.409 -0.966 148 HD3 ARG 20 1HD ARG 20 7.648 -4.086 -2.336 149 HE ARG 20 HE ARG 20 10.024 -3.003 -3.030 150 HH11 ARG 20 1HH1 ARG 20 8.890 -6.244 -2.147 151 HH12 ARG 20 2HH1 ARG 20 10.133 -7.051 -2.988 152 HH21 ARG 20 1HH2 ARG 20 11.733 -4.128 -4.190 153 HH22 ARG 20 2HH2 ARG 20 11.794 -5.822 -4.169 154 H GLU 21 H GLU 21 4.910 -0.853 -1.615 155 HA GLU 21 HA GLU 21 6.254 1.159 -3.179 156 HB2 GLU 21 2HB GLU 21 4.481 0.803 -4.883 157 HB3 GLU 21 1HB GLU 21 5.423 -0.623 -4.501 158 HG2 GLU 21 2HG GLU 21 3.546 -1.405 -3.077 159 HG3 GLU 21 1HG GLU 21 2.612 -0.008 -3.625 160 H ALA 22 H ALA 22 3.593 0.965 -1.004 161 HA ALA 22 HA ALA 22 2.337 3.383 -1.708 162 HB1 ALA 22 1HB ALA 22 2.470 2.187 1.043 163 HB2 ALA 22 2HB ALA 22 1.362 1.651 -0.217 164 HB3 ALA 22 3HB ALA 22 1.246 3.293 0.422 165 H GLU 23 H GLU 23 4.870 2.740 0.736 166 HA GLU 23 HA GLU 23 5.066 5.263 1.921 167 HB2 GLU 23 2HB GLU 23 7.402 3.405 1.386 168 HB3 GLU 23 1HB GLU 23 7.338 4.667 2.591 169 HG2 GLU 23 2HG GLU 23 5.712 2.131 2.595 170 HG3 GLU 23 1HG GLU 23 7.153 2.433 3.550 171 H GLU 24 H GLU 24 6.329 4.092 -1.055 172 HA GLU 24 HA GLU 24 8.314 6.004 -1.613 173 HB2 GLU 24 2HB GLU 24 8.028 3.825 -2.774 174 HB3 GLU 24 1HB GLU 24 6.587 4.457 -3.552 175 HG2 GLU 24 2HG GLU 24 8.385 4.558 -5.108 176 HG3 GLU 24 1HG GLU 24 8.002 6.204 -4.609 177 H ARG 25 H ARG 25 4.845 5.971 -2.153 178 HA ARG 25 HA ARG 25 5.002 8.540 -3.566 179 HB2 ARG 25 2HB ARG 25 2.644 6.676 -3.229 180 HB3 ARG 25 1HB ARG 25 2.669 8.138 -4.203 181 HG2 ARG 25 2HG ARG 25 4.327 5.668 -4.683 182 HG3 ARG 25 1HG ARG 25 2.884 6.136 -5.582 183 HD2 ARG 25 2HD ARG 25 4.036 8.175 -6.339 184 HD3 ARG 25 1HD ARG 25 5.465 7.698 -5.433 185 HE ARG 25 HE ARG 25 5.336 5.623 -6.919 186 HH11 ARG 25 1HH1 ARG 25 4.401 8.885 -8.012 187 HH12 ARG 25 2HH1 ARG 25 4.929 8.630 -9.610 188 HH21 ARG 25 1HH2 ARG 25 6.055 5.323 -9.168 189 HH22 ARG 25 2HH2 ARG 25 5.867 6.596 -10.264 190 H CYS 26 H CYS 26 3.579 6.964 -0.781 191 HA CYS 26 HA CYS 26 2.197 9.276 0.123 192 HB2 CYS 26 2HB CYS 26 2.892 6.700 1.536 193 HB3 CYS 26 1HB CYS 26 1.750 7.903 2.127 194 HN1 NH2 27 HN1 NH2 27 4.523 7.504 2.132 195 HN2 NH2 27 HN2 NH2 27 5.416 8.900 2.601 Start of MODEL 17 1 H1 THR 1 1HT THR 1 -4.081 -7.409 3.912 2 H2 THR 1 2HT THR 1 -4.844 -5.924 3.951 3 H3 THR 1 3HT THR 1 -3.146 -6.021 3.799 4 HA THR 1 HA THR 1 -3.261 -7.020 1.748 5 HB THR 1 HB THR 1 -5.394 -8.260 2.063 6 HG1 THR 1 1HG THR 1 -5.444 -8.441 0.061 7 HG21 THR 1 1HG2 THR 1 -6.729 -5.592 1.571 8 HG22 THR 1 2HG2 THR 1 -6.766 -6.516 3.075 9 HG23 THR 1 3HG2 THR 1 -7.553 -7.150 1.630 10 H CYS 2 H CYS 2 -5.058 -4.157 3.014 11 HA CYS 2 HA CYS 2 -3.914 -2.749 0.730 12 HB2 CYS 2 2HB CYS 2 -6.686 -2.310 1.857 13 HB3 CYS 2 1HB CYS 2 -5.929 -1.330 0.610 14 H VAL 3 H VAL 3 -2.887 -0.960 1.235 15 HA VAL 3 HA VAL 3 -3.235 0.054 3.954 16 HB VAL 3 HB VAL 3 -0.937 1.019 3.797 17 HG11 VAL 3 1HG1 VAL 3 -1.047 -1.949 3.292 18 HG12 VAL 3 2HG1 VAL 3 -1.264 -1.153 4.846 19 HG13 VAL 3 3HG1 VAL 3 0.300 -1.080 4.030 20 HG21 VAL 3 1HG2 VAL 3 0.589 0.276 2.013 21 HG22 VAL 3 2HG2 VAL 3 -0.753 1.222 1.364 22 HG23 VAL 3 3HG2 VAL 3 -0.759 -0.535 1.214 23 H GLU 4 H GLU 4 -3.984 2.037 4.211 24 HA GLU 4 HA GLU 4 -4.561 3.603 1.800 25 HB2 GLU 4 2HB GLU 4 -5.666 3.911 4.588 26 HB3 GLU 4 1HB GLU 4 -6.256 4.672 3.125 27 HG2 GLU 4 2HG GLU 4 -6.359 1.734 3.745 28 HG3 GLU 4 1HG GLU 4 -7.697 2.865 3.895 29 H CYS 5 H CYS 5 -3.171 5.271 1.488 30 HA CYS 5 HA CYS 5 -2.669 7.029 3.691 31 HB2 CYS 5 2HB CYS 5 -0.834 5.382 3.952 32 HB3 CYS 5 1HB CYS 5 -0.288 5.769 2.322 33 H DAL 6 H DAL 6 -2.600 9.029 3.048 34 HA DAL 6 HA DAL 6 -1.414 10.020 0.756 35 HB1 DAL 6 1HB DAL 6 -3.655 11.306 2.299 36 HB2 DAL 6 2HB DAL 6 -2.532 12.115 1.207 37 HB3 DAL 6 3HB DAL 6 -1.939 11.395 2.703 38 HA DPR 7 HA DPR 7 -5.677 10.000 -1.548 39 HB2 DPR 7 1HB DPR 7 -7.513 8.135 -0.799 40 HB3 DPR 7 2HB DPR 7 -7.512 9.790 -0.185 41 HG2 DPR 7 1HG DPR 7 -6.414 7.297 1.071 42 HG3 DPR 7 2HG DPR 7 -7.390 8.582 1.809 43 HD2 DPR 7 1HD DPR 7 -4.725 8.467 2.132 44 HD3 DPR 7 2HD DPR 7 -5.587 10.012 1.998 45 H VAL 8 H VAL 8 -3.623 7.480 -0.674 46 HA VAL 8 HA VAL 8 -4.239 6.054 -3.157 47 HB VAL 8 HB VAL 8 -1.612 6.264 -1.636 48 HG11 VAL 8 1HG1 VAL 8 -2.183 4.891 -4.265 49 HG12 VAL 8 2HG1 VAL 8 -1.813 4.092 -2.740 50 HG13 VAL 8 3HG1 VAL 8 -0.592 5.091 -3.530 51 HG21 VAL 8 1HG2 VAL 8 -0.819 7.532 -3.566 52 HG22 VAL 8 2HG2 VAL 8 -2.206 8.312 -2.795 53 HG23 VAL 8 3HG2 VAL 8 -2.422 7.415 -4.296 54 H LYS 9 H LYS 9 -4.680 3.914 -3.057 55 HA LYS 9 HA LYS 9 -4.300 2.603 -0.495 56 HB2 LYS 9 2HB LYS 9 -6.239 1.192 -1.055 57 HB3 LYS 9 1HB LYS 9 -6.671 2.882 -0.851 58 HG2 LYS 9 2HG LYS 9 -6.820 3.123 -3.284 59 HG3 LYS 9 1HG LYS 9 -6.330 1.443 -3.481 60 HD2 LYS 9 2HD LYS 9 -8.716 1.583 -3.717 61 HD3 LYS 9 1HD LYS 9 -8.345 0.753 -2.210 62 HE2 LYS 9 2HE LYS 9 -10.164 2.320 -1.864 63 HE3 LYS 9 1HE LYS 9 -8.746 2.853 -0.975 64 HZ1 LYS 9 1HZ LYS 9 -9.593 3.925 -3.621 65 HZ2 LYS 9 2HZ LYS 9 -8.307 4.495 -2.664 66 HZ3 LYS 9 3HZ LYS 9 -9.885 4.649 -2.129 67 H VAL 10 H VAL 10 -2.725 1.249 -0.654 68 HA VAL 10 HA VAL 10 -2.225 -0.012 -3.250 69 HB VAL 10 HB VAL 10 -0.375 0.054 -0.838 70 HG11 VAL 10 1HG1 VAL 10 1.331 -0.794 -2.376 71 HG12 VAL 10 2HG1 VAL 10 0.134 -0.869 -3.669 72 HG13 VAL 10 3HG1 VAL 10 -0.030 -1.912 -2.257 73 HG21 VAL 10 1HG2 VAL 10 -0.633 2.276 -1.808 74 HG22 VAL 10 2HG2 VAL 10 -0.271 1.634 -3.409 75 HG23 VAL 10 3HG2 VAL 10 0.973 1.634 -2.160 76 H CYS 11 H CYS 11 -3.263 -1.803 -3.472 77 HA CYS 11 HA CYS 11 -3.653 -3.502 -1.147 78 HB2 CYS 11 2HB CYS 11 -5.043 -3.474 -3.823 79 HB3 CYS 11 1HB CYS 11 -5.356 -4.657 -2.557 80 H ARG 12 H ARG 12 -2.368 -5.070 -0.844 81 HA ARG 12 HA ARG 12 -1.439 -6.758 -2.979 82 HB2 ARG 12 2HB ARG 12 0.183 -4.760 -2.660 83 HB3 ARG 12 1HB ARG 12 0.522 -5.459 -1.088 84 HG2 ARG 12 2HG ARG 12 2.238 -6.114 -2.582 85 HG3 ARG 12 1HG ARG 12 1.247 -7.534 -2.233 86 HD2 ARG 12 2HD ARG 12 1.835 -7.340 -4.629 87 HD3 ARG 12 1HD ARG 12 0.096 -7.294 -4.359 88 HE ARG 12 HE ARG 12 0.130 -4.958 -4.795 89 HH11 ARG 12 1HH1 ARG 12 3.304 -6.459 -5.393 90 HH12 ARG 12 2HH1 ARG 12 3.754 -5.278 -6.552 91 HH21 ARG 12 1HH2 ARG 12 0.815 -3.372 -6.372 92 HH22 ARG 12 2HH2 ARG 12 2.345 -3.531 -7.114 93 HA PRO 13 HA PRO 13 -2.393 -9.434 0.567 94 HB2 PRO 13 2HB PRO 13 -0.530 -11.325 -0.764 95 HB3 PRO 13 1HB PRO 13 -2.199 -11.583 -0.249 96 HG2 PRO 13 2HG PRO 13 -1.614 -11.292 -2.827 97 HG3 PRO 13 1HG PRO 13 -3.083 -10.573 -2.142 98 HD2 PRO 13 2HD PRO 13 -0.495 -9.263 -2.877 99 HD3 PRO 13 1HD PRO 13 -2.162 -8.676 -3.071 100 H ASP 14 H ASP 14 0.851 -9.016 -0.638 101 HA ASP 14 HA ASP 14 2.154 -9.733 1.829 102 HB2 ASP 14 2HB ASP 14 3.190 -8.385 -0.681 103 HB3 ASP 14 1HB ASP 14 4.208 -8.820 0.684 104 HA PRO 15 HA PRO 15 0.936 -5.678 3.404 105 HB2 PRO 15 2HB PRO 15 2.232 -5.918 5.828 106 HB3 PRO 15 1HB PRO 15 0.615 -6.543 5.494 107 HG2 PRO 15 2HG PRO 15 3.236 -7.977 5.508 108 HG3 PRO 15 1HG PRO 15 1.659 -8.524 6.100 109 HD2 PRO 15 2HD PRO 15 2.663 -9.364 3.761 110 HD3 PRO 15 1HD PRO 15 0.925 -9.103 3.983 111 H GLU 16 H GLU 16 4.257 -6.876 3.654 112 HA GLU 16 HA GLU 16 5.304 -4.248 4.019 113 HB2 GLU 16 2HB GLU 16 6.728 -6.824 3.388 114 HB3 GLU 16 1HB GLU 16 7.512 -5.305 3.798 115 HG2 GLU 16 2HG GLU 16 5.591 -6.785 5.533 116 HG3 GLU 16 1HG GLU 16 7.347 -6.806 5.719 117 H GLU 17 H GLU 17 4.628 -6.240 1.306 118 HA GLU 17 HA GLU 17 6.197 -4.604 -0.458 119 HB2 GLU 17 2HB GLU 17 5.690 -6.929 -1.153 120 HB3 GLU 17 1HB GLU 17 3.977 -6.538 -1.182 121 HG2 GLU 17 2HG GLU 17 4.213 -5.111 -3.046 122 HG3 GLU 17 1HG GLU 17 5.960 -5.076 -2.890 123 H ALA 18 H ALA 18 2.870 -4.737 0.586 124 HA ALA 18 HA ALA 18 1.824 -2.707 -1.029 125 HB1 ALA 18 1HB ALA 18 0.422 -4.161 0.409 126 HB2 ALA 18 2HB ALA 18 0.102 -2.455 0.697 127 HB3 ALA 18 3HB ALA 18 1.093 -3.368 1.832 128 H ARG 19 H ARG 19 3.290 -2.586 2.170 129 HA ARG 19 HA ARG 19 3.236 0.194 2.503 130 HB2 ARG 19 2HB ARG 19 4.993 -1.920 3.698 131 HB3 ARG 19 1HB ARG 19 5.104 -0.226 4.149 132 HG2 ARG 19 2HG ARG 19 2.824 -0.250 4.940 133 HG3 ARG 19 1HG ARG 19 2.632 -1.919 4.396 134 HD2 ARG 19 2HD ARG 19 4.246 -2.691 5.967 135 HD3 ARG 19 1HD ARG 19 4.699 -1.039 6.382 136 HE ARG 19 HE ARG 19 2.111 -1.077 6.982 137 HH11 ARG 19 1HH1 ARG 19 4.582 -3.498 7.769 138 HH12 ARG 19 2HH1 ARG 19 4.064 -3.678 9.384 139 HH21 ARG 19 1HH2 ARG 19 1.365 -1.413 9.170 140 HH22 ARG 19 2HH2 ARG 19 2.181 -2.514 10.180 141 H ARG 20 H ARG 20 5.681 -1.894 1.035 142 HA ARG 20 HA ARG 20 7.705 0.042 0.831 143 HB2 ARG 20 2HB ARG 20 8.057 -2.376 0.547 144 HB3 ARG 20 1HB ARG 20 7.198 -2.307 -0.986 145 HG2 ARG 20 2HG ARG 20 8.903 -0.693 -1.788 146 HG3 ARG 20 1HG ARG 20 9.817 -0.985 -0.311 147 HD2 ARG 20 2HD ARG 20 10.684 -2.375 -2.072 148 HD3 ARG 20 1HD ARG 20 9.863 -3.380 -0.873 149 HE ARG 20 HE ARG 20 8.338 -2.510 -3.192 150 HH11 ARG 20 1HH1 ARG 20 10.026 -5.150 -1.519 151 HH12 ARG 20 2HH1 ARG 20 9.336 -6.363 -2.481 152 HH21 ARG 20 1HH2 ARG 20 7.449 -4.157 -4.497 153 HH22 ARG 20 2HH2 ARG 20 7.791 -5.805 -4.200 154 H GLU 21 H GLU 21 5.124 -0.882 -1.404 155 HA GLU 21 HA GLU 21 6.012 0.965 -3.399 156 HB2 GLU 21 2HB GLU 21 3.304 -0.351 -3.121 157 HB3 GLU 21 1HB GLU 21 3.946 0.412 -4.567 158 HG2 GLU 21 2HG GLU 21 4.965 -2.103 -3.252 159 HG3 GLU 21 1HG GLU 21 4.073 -1.993 -4.765 160 H ALA 22 H ALA 22 3.758 1.006 -0.744 161 HA ALA 22 HA ALA 22 2.439 3.402 -1.428 162 HB1 ALA 22 1HB ALA 22 2.759 2.177 1.300 163 HB2 ALA 22 2HB ALA 22 1.495 1.771 0.138 164 HB3 ALA 22 3HB ALA 22 1.571 3.391 0.832 165 H GLU 23 H GLU 23 5.238 2.740 0.662 166 HA GLU 23 HA GLU 23 5.457 5.211 1.890 167 HB2 GLU 23 2HB GLU 23 7.784 4.654 2.397 168 HB3 GLU 23 1HB GLU 23 6.733 3.271 2.650 169 HG2 GLU 23 2HG GLU 23 7.460 2.326 0.525 170 HG3 GLU 23 1HG GLU 23 8.492 3.724 0.254 171 H GLU 24 H GLU 24 6.373 4.375 -1.338 172 HA GLU 24 HA GLU 24 8.143 6.521 -1.822 173 HB2 GLU 24 2HB GLU 24 6.393 5.016 -3.769 174 HB3 GLU 24 1HB GLU 24 7.662 6.141 -4.228 175 HG2 GLU 24 2HG GLU 24 9.307 4.702 -3.094 176 HG3 GLU 24 1HG GLU 24 8.013 3.562 -2.727 177 H ARG 25 H ARG 25 4.696 6.370 -1.666 178 HA ARG 25 HA ARG 25 4.635 9.192 -2.499 179 HB2 ARG 25 2HB ARG 25 2.343 7.220 -2.639 180 HB3 ARG 25 1HB ARG 25 2.231 8.928 -3.029 181 HG2 ARG 25 2HG ARG 25 3.713 6.775 -4.520 182 HG3 ARG 25 1HG ARG 25 2.384 7.784 -5.091 183 HD2 ARG 25 2HD ARG 25 5.222 8.641 -4.510 184 HD3 ARG 25 1HD ARG 25 4.429 8.564 -6.074 185 HE ARG 25 HE ARG 25 2.942 10.365 -5.223 186 HH11 ARG 25 1HH1 ARG 25 6.136 9.961 -3.688 187 HH12 ARG 25 2HH1 ARG 25 6.338 11.626 -3.402 188 HH21 ARG 25 1HH2 ARG 25 3.265 12.665 -4.775 189 HH22 ARG 25 2HH2 ARG 25 4.697 13.183 -4.030 190 H CYS 26 H CYS 26 3.743 6.920 -0.086 191 HA CYS 26 HA CYS 26 2.231 8.747 1.519 192 HB2 CYS 26 2HB CYS 26 1.737 6.365 1.583 193 HB3 CYS 26 1HB CYS 26 3.389 5.997 2.038 194 HN1 NH2 27 HN1 NH2 27 3.667 10.467 1.815 195 HN2 NH2 27 HN2 NH2 27 5.042 10.366 2.857 Start of MODEL 18 1 H1 THR 1 1HT THR 1 -2.696 -5.899 3.854 2 H2 THR 1 2HT THR 1 -3.684 -7.270 4.030 3 H3 THR 1 3HT THR 1 -4.345 -5.732 4.182 4 HA THR 1 HA THR 1 -3.162 -6.899 1.768 5 HB THR 1 HB THR 1 -6.063 -6.248 2.309 6 HG1 THR 1 1HG THR 1 -5.565 -8.895 2.197 7 HG21 THR 1 1HG2 THR 1 -4.681 -7.982 0.241 8 HG22 THR 1 2HG2 THR 1 -5.383 -6.391 -0.058 9 HG23 THR 1 3HG2 THR 1 -6.423 -7.747 0.380 10 H CYS 2 H CYS 2 -5.325 -4.210 2.938 11 HA CYS 2 HA CYS 2 -4.104 -2.557 0.855 12 HB2 CYS 2 2HB CYS 2 -6.916 -2.445 1.959 13 HB3 CYS 2 1HB CYS 2 -6.236 -1.296 0.813 14 H VAL 3 H VAL 3 -2.793 -1.142 1.677 15 HA VAL 3 HA VAL 3 -3.406 0.098 4.260 16 HB VAL 3 HB VAL 3 -1.094 1.035 4.168 17 HG11 VAL 3 1HG1 VAL 3 -1.446 -1.102 5.275 18 HG12 VAL 3 2HG1 VAL 3 0.139 -1.048 4.505 19 HG13 VAL 3 3HG1 VAL 3 -1.179 -1.947 3.752 20 HG21 VAL 3 1HG2 VAL 3 -0.842 -0.580 1.635 21 HG22 VAL 3 2HG2 VAL 3 0.487 0.227 2.465 22 HG23 VAL 3 3HG2 VAL 3 -0.819 1.182 1.754 23 H GLU 4 H GLU 4 -3.043 2.557 4.286 24 HA GLU 4 HA GLU 4 -3.958 3.652 1.718 25 HB2 GLU 4 2HB GLU 4 -5.899 3.249 3.142 26 HB3 GLU 4 1HB GLU 4 -5.168 4.193 4.427 27 HG2 GLU 4 2HG GLU 4 -5.205 6.156 2.921 28 HG3 GLU 4 1HG GLU 4 -6.094 5.180 1.752 29 H CYS 5 H CYS 5 -2.893 5.441 1.122 30 HA CYS 5 HA CYS 5 -1.817 7.195 3.173 31 HB2 CYS 5 2HB CYS 5 0.059 5.741 2.642 32 HB3 CYS 5 1HB CYS 5 -0.168 6.029 0.921 33 H DAL 6 H DAL 6 -2.887 8.982 2.738 34 HA DAL 6 HA DAL 6 -2.178 10.605 0.617 35 HB1 DAL 6 1HB DAL 6 -4.586 10.993 2.375 36 HB2 DAL 6 2HB DAL 6 -3.751 12.224 1.431 37 HB3 DAL 6 3HB DAL 6 -2.933 11.447 2.784 38 HA DPR 7 HA DPR 7 -6.184 9.826 -1.791 39 HB2 DPR 7 1HB DPR 7 -7.980 7.975 -1.086 40 HB3 DPR 7 2HB DPR 7 -7.969 9.575 -0.331 41 HG2 DPR 7 1HG DPR 7 -6.870 6.981 0.677 42 HG3 DPR 7 2HG DPR 7 -7.807 8.202 1.553 43 HD2 DPR 7 1HD DPR 7 -5.076 7.992 1.693 44 HD3 DPR 7 2HD DPR 7 -5.969 9.507 1.937 45 H VAL 8 H VAL 8 -3.789 7.803 -1.124 46 HA VAL 8 HA VAL 8 -4.453 6.074 -3.381 47 HB VAL 8 HB VAL 8 -1.757 6.642 -2.113 48 HG11 VAL 8 1HG1 VAL 8 -2.448 5.205 -4.672 49 HG12 VAL 8 2HG1 VAL 8 -1.831 4.467 -3.194 50 HG13 VAL 8 3HG1 VAL 8 -0.817 5.581 -4.114 51 HG21 VAL 8 1HG2 VAL 8 -2.941 7.730 -4.668 52 HG22 VAL 8 2HG2 VAL 8 -1.286 7.991 -4.115 53 HG23 VAL 8 3HG2 VAL 8 -2.638 8.644 -3.190 54 H LYS 9 H LYS 9 -5.171 4.103 -2.793 55 HA LYS 9 HA LYS 9 -4.125 3.009 -0.318 56 HB2 LYS 9 2HB LYS 9 -5.894 1.317 -0.477 57 HB3 LYS 9 1HB LYS 9 -6.564 2.937 -0.477 58 HG2 LYS 9 2HG LYS 9 -6.968 2.809 -2.848 59 HG3 LYS 9 1HG LYS 9 -6.157 1.241 -2.929 60 HD2 LYS 9 2HD LYS 9 -7.857 0.289 -1.460 61 HD3 LYS 9 1HD LYS 9 -8.656 1.858 -1.363 62 HE2 LYS 9 2HE LYS 9 -9.061 1.794 -3.779 63 HE3 LYS 9 1HE LYS 9 -8.243 0.237 -3.876 64 HZ1 LYS 9 1HZ LYS 9 -10.745 0.774 -2.355 65 HZ2 LYS 9 2HZ LYS 9 -9.947 -0.702 -2.438 66 HZ3 LYS 9 3HZ LYS 9 -10.625 -0.044 -3.820 67 H VAL 10 H VAL 10 -2.962 1.204 -0.276 68 HA VAL 10 HA VAL 10 -2.088 0.220 -2.897 69 HB VAL 10 HB VAL 10 -0.484 0.205 -0.317 70 HG11 VAL 10 1HG1 VAL 10 0.373 -0.438 -3.135 71 HG12 VAL 10 2HG1 VAL 10 0.068 -1.609 -1.856 72 HG13 VAL 10 3HG1 VAL 10 1.396 -0.459 -1.694 73 HG21 VAL 10 1HG2 VAL 10 -0.213 2.020 -2.717 74 HG22 VAL 10 2HG2 VAL 10 0.917 1.943 -1.367 75 HG23 VAL 10 3HG2 VAL 10 -0.738 2.494 -1.101 76 H CYS 11 H CYS 11 -3.018 -1.647 -3.239 77 HA CYS 11 HA CYS 11 -3.512 -3.408 -0.960 78 HB2 CYS 11 2HB CYS 11 -4.853 -3.330 -3.667 79 HB3 CYS 11 1HB CYS 11 -5.184 -4.519 -2.411 80 H ARG 12 H ARG 12 -1.979 -4.800 -0.740 81 HA ARG 12 HA ARG 12 -1.113 -6.274 -3.085 82 HB2 ARG 12 2HB ARG 12 0.695 -5.112 -0.955 83 HB3 ARG 12 1HB ARG 12 1.183 -6.407 -2.029 84 HG2 ARG 12 2HG ARG 12 0.368 -3.631 -2.886 85 HG3 ARG 12 1HG ARG 12 2.023 -4.231 -2.773 86 HD2 ARG 12 2HD ARG 12 -0.155 -5.183 -4.635 87 HD3 ARG 12 1HD ARG 12 1.323 -4.333 -5.070 88 HE ARG 12 HE ARG 12 2.116 -6.661 -3.775 89 HH11 ARG 12 1HH1 ARG 12 0.487 -5.820 -6.822 90 HH12 ARG 12 2HH1 ARG 12 0.853 -7.294 -7.558 91 HH21 ARG 12 1HH2 ARG 12 2.617 -8.601 -4.763 92 HH22 ARG 12 2HH2 ARG 12 2.101 -8.953 -6.366 93 HA PRO 13 HA PRO 13 -2.153 -9.857 -0.699 94 HB2 PRO 13 2HB PRO 13 0.407 -10.876 -1.855 95 HB3 PRO 13 1HB PRO 13 -1.180 -11.642 -1.835 96 HG2 PRO 13 2HG PRO 13 -0.301 -10.545 -4.063 97 HG3 PRO 13 1HG PRO 13 -1.989 -10.330 -3.574 98 HD2 PRO 13 2HD PRO 13 0.282 -8.413 -3.432 99 HD3 PRO 13 1HD PRO 13 -1.434 -8.129 -3.794 100 H ASP 14 H ASP 14 1.308 -9.047 -0.863 101 HA ASP 14 HA ASP 14 1.574 -9.813 1.930 102 HB2 ASP 14 2HB ASP 14 3.602 -9.246 -0.215 103 HB3 ASP 14 1HB ASP 14 4.056 -9.241 1.483 104 HA PRO 15 HA PRO 15 1.314 -5.585 3.283 105 HB2 PRO 15 2HB PRO 15 2.647 -5.914 5.674 106 HB3 PRO 15 1HB PRO 15 0.948 -6.334 5.441 107 HG2 PRO 15 2HG PRO 15 3.361 -8.098 5.367 108 HG3 PRO 15 1HG PRO 15 1.788 -8.397 6.120 109 HD2 PRO 15 2HD PRO 15 2.449 -9.491 3.778 110 HD3 PRO 15 1HD PRO 15 0.787 -8.942 4.094 111 H GLU 16 H GLU 16 4.158 -7.471 3.094 112 HA GLU 16 HA GLU 16 6.314 -5.786 3.379 113 HB2 GLU 16 2HB GLU 16 6.483 -8.159 2.917 114 HB3 GLU 16 1HB GLU 16 5.773 -7.932 1.328 115 HG2 GLU 16 2HG GLU 16 8.085 -8.242 1.043 116 HG3 GLU 16 1HG GLU 16 7.734 -6.541 0.750 117 H GLU 17 H GLU 17 4.555 -6.515 0.391 118 HA GLU 17 HA GLU 17 5.875 -4.571 -1.189 119 HB2 GLU 17 2HB GLU 17 3.275 -6.001 -1.692 120 HB3 GLU 17 1HB GLU 17 4.273 -5.202 -2.896 121 HG2 GLU 17 2HG GLU 17 6.029 -6.844 -2.540 122 HG3 GLU 17 1HG GLU 17 5.057 -7.627 -1.293 123 H ALA 18 H ALA 18 2.785 -4.788 0.455 124 HA ALA 18 HA ALA 18 1.523 -2.512 -0.510 125 HB1 ALA 18 1HB ALA 18 0.122 -2.604 1.480 126 HB2 ALA 18 2HB ALA 18 1.291 -3.651 2.274 127 HB3 ALA 18 3HB ALA 18 0.398 -4.238 0.873 128 H ARG 19 H ARG 19 3.432 -2.837 2.473 129 HA ARG 19 HA ARG 19 3.379 -0.095 3.101 130 HB2 ARG 19 2HB ARG 19 5.235 -2.301 3.950 131 HB3 ARG 19 1HB ARG 19 5.314 -0.662 4.584 132 HG2 ARG 19 2HG ARG 19 3.103 -0.851 5.465 133 HG3 ARG 19 1HG ARG 19 2.925 -2.463 4.765 134 HD2 ARG 19 2HD ARG 19 4.664 -3.329 6.151 135 HD3 ARG 19 1HD ARG 19 5.069 -1.715 6.731 136 HE ARG 19 HE ARG 19 2.696 -1.747 7.586 137 HH11 ARG 19 1HH1 ARG 19 4.702 -4.683 7.415 138 HH12 ARG 19 2HH1 ARG 19 4.061 -5.378 8.818 139 HH21 ARG 19 1HH2 ARG 19 1.862 -2.702 9.577 140 HH22 ARG 19 2HH2 ARG 19 2.438 -4.215 10.097 141 H ARG 20 H ARG 20 5.708 -2.096 1.399 142 HA ARG 20 HA ARG 20 7.839 -0.386 0.988 143 HB2 ARG 20 2HB ARG 20 7.778 -2.726 0.240 144 HB3 ARG 20 1HB ARG 20 6.574 -2.314 -0.961 145 HG2 ARG 20 2HG ARG 20 8.269 -0.833 -2.038 146 HG3 ARG 20 1HG ARG 20 9.463 -1.489 -0.909 147 HD2 ARG 20 2HD ARG 20 9.529 -2.676 -3.038 148 HD3 ARG 20 1HD ARG 20 8.996 -3.743 -1.736 149 HE ARG 20 HE ARG 20 6.748 -2.589 -2.928 150 HH11 ARG 20 1HH1 ARG 20 9.241 -4.959 -3.720 151 HH12 ARG 20 2HH1 ARG 20 8.260 -5.819 -4.821 152 HH21 ARG 20 1HH2 ARG 20 5.392 -3.797 -4.471 153 HH22 ARG 20 2HH2 ARG 20 6.105 -5.127 -5.270 154 H GLU 21 H GLU 21 5.004 -0.784 -1.090 155 HA GLU 21 HA GLU 21 5.764 1.374 -2.755 156 HB2 GLU 21 2HB GLU 21 3.260 -0.287 -2.617 157 HB3 GLU 21 1HB GLU 21 3.605 0.898 -3.881 158 HG2 GLU 21 2HG GLU 21 5.529 -0.326 -4.599 159 HG3 GLU 21 1HG GLU 21 5.397 -1.420 -3.229 160 H ALA 22 H ALA 22 3.651 1.027 0.016 161 HA ALA 22 HA ALA 22 2.247 3.436 -0.254 162 HB1 ALA 22 1HB ALA 22 3.051 2.059 2.306 163 HB2 ALA 22 2HB ALA 22 1.621 1.682 1.346 164 HB3 ALA 22 3HB ALA 22 1.772 3.261 2.121 165 H GLU 23 H GLU 23 5.330 2.714 1.340 166 HA GLU 23 HA GLU 23 5.857 5.222 2.462 167 HB2 GLU 23 2HB GLU 23 7.833 3.251 1.305 168 HB3 GLU 23 1HB GLU 23 8.253 4.600 2.341 169 HG2 GLU 23 2HG GLU 23 6.935 3.600 4.149 170 HG3 GLU 23 1HG GLU 23 6.555 2.236 3.097 171 H GLU 24 H GLU 24 6.256 4.132 -0.824 172 HA GLU 24 HA GLU 24 7.648 6.547 -1.555 173 HB2 GLU 24 2HB GLU 24 6.760 4.188 -3.183 174 HB3 GLU 24 1HB GLU 24 7.584 5.587 -3.863 175 HG2 GLU 24 2HG GLU 24 9.481 5.184 -2.376 176 HG3 GLU 24 1HG GLU 24 8.660 3.764 -1.731 177 H ARG 25 H ARG 25 4.406 5.490 -1.463 178 HA ARG 25 HA ARG 25 3.495 7.530 -3.322 179 HB2 ARG 25 2HB ARG 25 1.861 5.804 -1.435 180 HB3 ARG 25 1HB ARG 25 1.216 6.824 -2.711 181 HG2 ARG 25 2HG ARG 25 2.943 4.384 -3.072 182 HG3 ARG 25 1HG ARG 25 1.215 4.503 -3.390 183 HD2 ARG 25 2HD ARG 25 1.614 6.085 -5.169 184 HD3 ARG 25 1HD ARG 25 3.338 6.118 -4.800 185 HE ARG 25 HE ARG 25 2.697 3.492 -5.271 186 HH11 ARG 25 1HH1 ARG 25 2.514 6.478 -7.146 187 HH12 ARG 25 2HH1 ARG 25 2.907 5.745 -8.628 188 HH21 ARG 25 1HH2 ARG 25 3.244 2.471 -7.313 189 HH22 ARG 25 2HH2 ARG 25 3.280 3.400 -8.725 190 H CYS 26 H CYS 26 4.090 7.119 0.003 191 HA CYS 26 HA CYS 26 2.716 9.461 0.892 192 HB2 CYS 26 2HB CYS 26 4.837 7.732 2.182 193 HB3 CYS 26 1HB CYS 26 4.013 9.024 3.026 194 HN1 NH2 27 HN1 NH2 27 3.441 11.232 -0.201 195 HN2 NH2 27 HN2 NH2 27 5.079 11.776 -0.210 Start of MODEL 19 1 H1 THR 1 1HT THR 1 -3.729 -5.581 4.039 2 H2 THR 1 2HT THR 1 -3.985 -7.226 3.782 3 H3 THR 1 3HT THR 1 -5.108 -6.131 3.205 4 HA THR 1 HA THR 1 -2.334 -6.492 2.304 5 HB THR 1 HB THR 1 -3.549 -7.008 0.124 6 HG1 THR 1 1HG THR 1 -5.762 -7.973 1.298 7 HG21 THR 1 1HG2 THR 1 -3.948 -9.335 0.745 8 HG22 THR 1 2HG2 THR 1 -3.974 -8.881 2.450 9 HG23 THR 1 3HG2 THR 1 -2.482 -8.729 1.520 10 H CYS 2 H CYS 2 -5.056 -4.344 2.508 11 HA CYS 2 HA CYS 2 -3.856 -2.581 0.526 12 HB2 CYS 2 2HB CYS 2 -6.558 -2.460 1.878 13 HB3 CYS 2 1HB CYS 2 -5.977 -1.360 0.635 14 H VAL 3 H VAL 3 -2.569 -1.115 1.274 15 HA VAL 3 HA VAL 3 -3.042 -0.098 3.968 16 HB VAL 3 HB VAL 3 -0.775 0.887 3.866 17 HG11 VAL 3 1HG1 VAL 3 0.538 -1.186 3.964 18 HG12 VAL 3 2HG1 VAL 3 -0.808 -2.057 3.227 19 HG13 VAL 3 3HG1 VAL 3 -0.998 -1.329 4.821 20 HG21 VAL 3 1HG2 VAL 3 -0.592 -0.481 1.189 21 HG22 VAL 3 2HG2 VAL 3 0.755 0.283 2.027 22 HG23 VAL 3 3HG2 VAL 3 -0.610 1.257 1.475 23 H GLU 4 H GLU 4 -3.266 2.118 4.248 24 HA GLU 4 HA GLU 4 -4.047 3.474 1.784 25 HB2 GLU 4 2HB GLU 4 -5.077 3.785 4.596 26 HB3 GLU 4 1HB GLU 4 -5.538 4.823 3.254 27 HG2 GLU 4 2HG GLU 4 -6.516 2.975 2.083 28 HG3 GLU 4 1HG GLU 4 -5.934 1.848 3.306 29 H CYS 5 H CYS 5 -2.868 5.097 1.204 30 HA CYS 5 HA CYS 5 -1.523 6.666 3.249 31 HB2 CYS 5 2HB CYS 5 0.039 4.923 2.269 32 HB3 CYS 5 1HB CYS 5 -0.165 5.722 0.713 33 H DAL 6 H DAL 6 -1.968 8.702 2.905 34 HA DAL 6 HA DAL 6 -2.000 10.082 0.535 35 HB1 DAL 6 1HB DAL 6 -3.607 10.777 2.986 36 HB2 DAL 6 2HB DAL 6 -3.110 11.882 1.706 37 HB3 DAL 6 3HB DAL 6 -1.896 11.141 2.749 38 HA DPR 7 HA DPR 7 -6.752 9.493 -0.035 39 HB2 DPR 7 1HB DPR 7 -8.051 7.490 1.186 40 HB3 DPR 7 2HB DPR 7 -7.793 9.045 1.986 41 HG2 DPR 7 1HG DPR 7 -6.236 6.498 2.245 42 HG3 DPR 7 2HG DPR 7 -6.862 7.549 3.532 43 HD2 DPR 7 1HD DPR 7 -4.289 7.658 2.691 44 HD3 DPR 7 2HD DPR 7 -5.161 9.099 3.246 45 H VAL 8 H VAL 8 -4.272 7.425 -0.458 46 HA VAL 8 HA VAL 8 -5.692 5.975 -2.560 47 HB VAL 8 HB VAL 8 -2.710 6.385 -2.134 48 HG11 VAL 8 1HG1 VAL 8 -4.183 5.267 -4.515 49 HG12 VAL 8 2HG1 VAL 8 -3.201 4.344 -3.380 50 HG13 VAL 8 3HG1 VAL 8 -2.446 5.553 -4.418 51 HG21 VAL 8 1HG2 VAL 8 -4.586 7.758 -4.064 52 HG22 VAL 8 2HG2 VAL 8 -2.834 7.956 -4.022 53 HG23 VAL 8 3HG2 VAL 8 -3.816 8.493 -2.658 54 H LYS 9 H LYS 9 -6.045 3.822 -2.318 55 HA LYS 9 HA LYS 9 -4.678 2.503 -0.127 56 HB2 LYS 9 2HB LYS 9 -6.361 0.760 -0.277 57 HB3 LYS 9 1HB LYS 9 -7.165 2.316 -0.203 58 HG2 LYS 9 2HG LYS 9 -7.565 2.214 -2.630 59 HG3 LYS 9 1HG LYS 9 -6.728 0.666 -2.683 60 HD2 LYS 9 2HD LYS 9 -8.421 -0.249 -1.118 61 HD3 LYS 9 1HD LYS 9 -9.298 1.277 -1.228 62 HE2 LYS 9 2HE LYS 9 -10.294 -0.306 -2.755 63 HE3 LYS 9 1HE LYS 9 -9.476 0.949 -3.680 64 HZ1 LYS 9 1HZ LYS 9 -8.377 -1.766 -3.121 65 HZ2 LYS 9 2HZ LYS 9 -7.612 -0.585 -4.053 66 HZ3 LYS 9 3HZ LYS 9 -9.044 -1.269 -4.564 67 H VAL 10 H VAL 10 -3.037 1.275 -0.520 68 HA VAL 10 HA VAL 10 -2.581 0.304 -3.258 69 HB VAL 10 HB VAL 10 -0.603 0.503 -0.948 70 HG11 VAL 10 1HG1 VAL 10 -0.134 -0.172 -3.855 71 HG12 VAL 10 2HG1 VAL 10 -0.037 -1.290 -2.494 72 HG13 VAL 10 3HG1 VAL 10 1.120 0.035 -2.631 73 HG21 VAL 10 1HG2 VAL 10 -1.243 2.719 -1.742 74 HG22 VAL 10 2HG2 VAL 10 -0.880 2.244 -3.401 75 HG23 VAL 10 3HG2 VAL 10 0.419 2.352 -2.211 76 H CYS 11 H CYS 11 -3.244 -1.727 -3.544 77 HA CYS 11 HA CYS 11 -3.333 -3.476 -1.201 78 HB2 CYS 11 2HB CYS 11 -4.892 -3.688 -3.785 79 HB3 CYS 11 1HB CYS 11 -5.061 -4.718 -2.373 80 H ARG 12 H ARG 12 -1.685 -4.778 -1.096 81 HA ARG 12 HA ARG 12 -0.839 -6.175 -3.527 82 HB2 ARG 12 2HB ARG 12 1.016 -5.137 -1.347 83 HB3 ARG 12 1HB ARG 12 1.513 -6.151 -2.677 84 HG2 ARG 12 2HG ARG 12 0.513 -3.316 -2.843 85 HG3 ARG 12 1HG ARG 12 2.157 -3.885 -3.128 86 HD2 ARG 12 2HD ARG 12 -0.294 -4.499 -4.782 87 HD3 ARG 12 1HD ARG 12 1.049 -3.457 -5.231 88 HE ARG 12 HE ARG 12 2.270 -5.801 -4.761 89 HH11 ARG 12 1HH1 ARG 12 -0.600 -5.068 -6.720 90 HH12 ARG 12 2HH1 ARG 12 -0.263 -6.244 -7.897 91 HH21 ARG 12 1HH2 ARG 12 2.729 -7.375 -6.349 92 HH22 ARG 12 2HH2 ARG 12 1.729 -7.591 -7.702 93 HA PRO 13 HA PRO 13 -1.543 -9.950 -1.350 94 HB2 PRO 13 2HB PRO 13 0.893 -11.266 -1.691 95 HB3 PRO 13 1HB PRO 13 -0.434 -11.268 -2.857 96 HG2 PRO 13 2HG PRO 13 2.010 -9.538 -2.773 97 HG3 PRO 13 1HG PRO 13 1.243 -10.320 -4.169 98 HD2 PRO 13 2HD PRO 13 0.876 -7.744 -3.759 99 HD3 PRO 13 1HD PRO 13 -0.504 -8.758 -4.222 100 H ASP 14 H ASP 14 1.616 -8.546 -0.715 101 HA ASP 14 HA ASP 14 1.472 -9.502 2.040 102 HB2 ASP 14 2HB ASP 14 3.784 -8.543 0.363 103 HB3 ASP 14 1HB ASP 14 3.901 -8.649 2.110 104 HA PRO 15 HA PRO 15 0.345 -5.365 3.236 105 HB2 PRO 15 2HB PRO 15 1.240 -5.542 5.848 106 HB3 PRO 15 1HB PRO 15 -0.336 -6.123 5.304 107 HG2 PRO 15 2HG PRO 15 2.197 -7.648 5.753 108 HG3 PRO 15 1HG PRO 15 0.534 -8.108 6.152 109 HD2 PRO 15 2HD PRO 15 1.775 -9.118 4.021 110 HD3 PRO 15 1HD PRO 15 0.048 -8.712 3.965 111 H GLU 16 H GLU 16 3.448 -6.798 3.881 112 HA GLU 16 HA GLU 16 4.938 -4.458 4.477 113 HB2 GLU 16 2HB GLU 16 5.910 -7.031 3.244 114 HB3 GLU 16 1HB GLU 16 6.887 -5.833 4.076 115 HG2 GLU 16 2HG GLU 16 5.729 -6.307 6.148 116 HG3 GLU 16 1HG GLU 16 4.724 -7.501 5.325 117 H GLU 17 H GLU 17 4.236 -6.231 1.516 118 HA GLU 17 HA GLU 17 5.978 -4.764 -0.183 119 HB2 GLU 17 2HB GLU 17 5.098 -7.048 -0.687 120 HB3 GLU 17 1HB GLU 17 3.499 -6.350 -0.901 121 HG2 GLU 17 2HG GLU 17 4.376 -4.988 -2.749 122 HG3 GLU 17 1HG GLU 17 5.942 -5.765 -2.553 123 H ALA 18 H ALA 18 2.586 -4.617 0.640 124 HA ALA 18 HA ALA 18 1.801 -2.539 -1.066 125 HB1 ALA 18 1HB ALA 18 0.219 -4.022 0.131 126 HB2 ALA 18 2HB ALA 18 -0.136 -2.321 0.374 127 HB3 ALA 18 3HB ALA 18 0.671 -3.239 1.645 128 H ARG 19 H ARG 19 2.835 -2.511 2.330 129 HA ARG 19 HA ARG 19 2.654 0.224 2.838 130 HB2 ARG 19 2HB ARG 19 3.144 -1.644 4.492 131 HB3 ARG 19 1HB ARG 19 4.811 -1.565 3.937 132 HG2 ARG 19 2HG ARG 19 4.705 0.917 4.532 133 HG3 ARG 19 1HG ARG 19 3.234 0.512 5.416 134 HD2 ARG 19 2HD ARG 19 4.979 0.401 6.996 135 HD3 ARG 19 1HD ARG 19 4.609 -1.275 6.573 136 HE ARG 19 HE ARG 19 6.765 0.185 5.253 137 HH11 ARG 19 1HH1 ARG 19 5.713 -2.624 7.170 138 HH12 ARG 19 2HH1 ARG 19 7.233 -3.369 7.218 139 HH21 ARG 19 1HH2 ARG 19 8.878 -0.840 5.315 140 HH22 ARG 19 2HH2 ARG 19 9.118 -2.302 6.144 141 H ARG 20 H ARG 20 5.322 -1.715 1.623 142 HA ARG 20 HA ARG 20 7.409 0.051 1.422 143 HB2 ARG 20 2HB ARG 20 7.561 -2.318 0.853 144 HB3 ARG 20 1HB ARG 20 6.550 -2.057 -0.550 145 HG2 ARG 20 2HG ARG 20 8.317 -0.513 -1.437 146 HG3 ARG 20 1HG ARG 20 9.351 -1.055 -0.113 147 HD2 ARG 20 2HD ARG 20 9.818 -2.321 -2.130 148 HD3 ARG 20 1HD ARG 20 9.117 -3.369 -0.897 149 HE ARG 20 HE ARG 20 6.997 -2.496 -2.425 150 HH11 ARG 20 1HH1 ARG 20 9.965 -4.318 -3.045 151 HH12 ARG 20 2HH1 ARG 20 9.324 -5.212 -4.338 152 HH21 ARG 20 1HH2 ARG 20 6.087 -3.721 -4.259 153 HH22 ARG 20 2HH2 ARG 20 7.086 -4.864 -5.020 154 H GLU 21 H GLU 21 5.058 -0.658 -1.123 155 HA GLU 21 HA GLU 21 6.073 1.348 -2.816 156 HB2 GLU 21 2HB GLU 21 3.541 -0.272 -2.930 157 HB3 GLU 21 1HB GLU 21 4.067 0.822 -4.211 158 HG2 GLU 21 2HG GLU 21 6.092 -0.436 -4.524 159 HG3 GLU 21 1HG GLU 21 5.691 -1.480 -3.166 160 H ALA 22 H ALA 22 3.435 1.284 -0.520 161 HA ALA 22 HA ALA 22 2.261 3.721 -1.279 162 HB1 ALA 22 1HB ALA 22 1.207 3.707 0.905 163 HB2 ALA 22 2HB ALA 22 2.329 2.462 1.455 164 HB3 ALA 22 3HB ALA 22 1.158 2.097 0.185 165 H GLU 23 H GLU 23 4.743 3.018 1.196 166 HA GLU 23 HA GLU 23 4.933 5.771 1.942 167 HB2 GLU 23 2HB GLU 23 6.823 5.096 3.351 168 HB3 GLU 23 1HB GLU 23 5.453 4.014 3.561 169 HG2 GLU 23 2HG GLU 23 6.532 2.382 2.095 170 HG3 GLU 23 1HG GLU 23 7.902 3.471 1.908 171 H GLU 24 H GLU 24 6.652 3.763 -0.351 172 HA GLU 24 HA GLU 24 8.659 5.731 -0.845 173 HB2 GLU 24 2HB GLU 24 7.748 3.370 -2.495 174 HB3 GLU 24 1HB GLU 24 9.096 4.409 -2.936 175 HG2 GLU 24 2HG GLU 24 8.909 2.750 -0.427 176 HG3 GLU 24 1HG GLU 24 9.843 2.341 -1.864 177 H ARG 25 H ARG 25 5.448 5.241 -1.902 178 HA ARG 25 HA ARG 25 5.551 7.041 -4.128 179 HB2 ARG 25 2HB ARG 25 3.866 5.255 -3.961 180 HB3 ARG 25 1HB ARG 25 3.225 5.991 -2.506 181 HG2 ARG 25 2HG ARG 25 1.784 6.484 -4.364 182 HG3 ARG 25 1HG ARG 25 2.573 7.963 -3.826 183 HD2 ARG 25 2HD ARG 25 4.129 7.872 -5.641 184 HD3 ARG 25 1HD ARG 25 3.545 6.286 -6.127 185 HE ARG 25 HE ARG 25 1.371 7.968 -6.132 186 HH11 ARG 25 1HH1 ARG 25 4.446 7.824 -7.866 187 HH12 ARG 25 2HH1 ARG 25 3.810 8.404 -9.336 188 HH21 ARG 25 1HH2 ARG 25 0.492 8.791 -8.152 189 HH22 ARG 25 2HH2 ARG 25 1.510 8.982 -9.499 190 H CYS 26 H CYS 26 4.066 7.164 -0.911 191 HA CYS 26 HA CYS 26 3.404 9.891 -0.950 192 HB2 CYS 26 2HB CYS 26 3.825 8.006 1.359 193 HB3 CYS 26 1HB CYS 26 3.035 9.563 1.492 194 HN1 NH2 27 HN1 NH2 27 5.708 8.472 1.357 195 HN2 NH2 27 HN2 NH2 27 6.842 9.761 1.266 Start of MODEL 20 1 H1 THR 1 1HT THR 1 -4.221 -6.396 3.459 2 H2 THR 1 2HT THR 1 -4.803 -7.898 3.011 3 H3 THR 1 3HT THR 1 -5.693 -6.519 2.645 4 HA THR 1 HA THR 1 -3.003 -7.201 1.650 5 HB THR 1 HB THR 1 -4.744 -8.723 0.709 6 HG1 THR 1 1HG THR 1 -2.936 -7.537 -0.632 7 HG21 THR 1 1HG2 THR 1 -6.688 -7.264 0.839 8 HG22 THR 1 2HG2 THR 1 -6.465 -7.834 -0.816 9 HG23 THR 1 3HG2 THR 1 -5.990 -6.194 -0.376 10 H CYS 2 H CYS 2 -5.364 -4.657 2.118 11 HA CYS 2 HA CYS 2 -3.808 -2.950 0.308 12 HB2 CYS 2 2HB CYS 2 -6.711 -2.690 1.088 13 HB3 CYS 2 1HB CYS 2 -5.832 -1.619 -0.001 14 H VAL 3 H VAL 3 -2.923 -1.180 1.160 15 HA VAL 3 HA VAL 3 -3.672 -0.467 3.911 16 HB VAL 3 HB VAL 3 -1.411 0.343 4.304 17 HG11 VAL 3 1HG1 VAL 3 -1.396 -2.479 3.268 18 HG12 VAL 3 2HG1 VAL 3 -1.831 -1.955 4.894 19 HG13 VAL 3 3HG1 VAL 3 -0.170 -1.773 4.322 20 HG21 VAL 3 1HG2 VAL 3 -0.791 -0.617 1.514 21 HG22 VAL 3 2HG2 VAL 3 0.410 -0.087 2.686 22 HG23 VAL 3 3HG2 VAL 3 -0.791 1.056 2.075 23 H GLU 4 H GLU 4 -3.274 1.834 4.432 24 HA GLU 4 HA GLU 4 -4.017 3.488 2.130 25 HB2 GLU 4 2HB GLU 4 -4.508 3.991 5.074 26 HB3 GLU 4 1HB GLU 4 -4.978 5.056 3.771 27 HG2 GLU 4 2HG GLU 4 -6.936 3.950 4.468 28 HG3 GLU 4 1HG GLU 4 -6.470 3.194 2.951 29 H CYS 5 H CYS 5 -2.687 5.117 1.579 30 HA CYS 5 HA CYS 5 -0.918 6.239 3.614 31 HB2 CYS 5 2HB CYS 5 0.466 4.734 2.222 32 HB3 CYS 5 1HB CYS 5 -0.099 5.562 0.772 33 H DAL 6 H DAL 6 -1.988 8.067 3.853 34 HA DAL 6 HA DAL 6 -1.759 10.167 2.114 35 HB1 DAL 6 1HB DAL 6 -3.884 9.895 4.244 36 HB2 DAL 6 2HB DAL 6 -3.307 11.393 3.524 37 HB3 DAL 6 3HB DAL 6 -2.223 10.419 4.514 38 HA DPR 7 HA DPR 7 -6.075 9.599 0.222 39 HB2 DPR 7 1HB DPR 7 -7.722 7.599 0.821 40 HB3 DPR 7 2HB DPR 7 -7.537 8.973 1.921 41 HG2 DPR 7 1HG DPR 7 -6.315 6.238 2.064 42 HG3 DPR 7 2HG DPR 7 -7.048 7.199 3.360 43 HD2 DPR 7 1HD DPR 7 -4.330 7.038 2.884 44 HD3 DPR 7 2HD DPR 7 -5.130 8.377 3.726 45 H VAL 8 H VAL 8 -3.576 7.670 -0.055 46 HA VAL 8 HA VAL 8 -4.585 6.436 -2.473 47 HB VAL 8 HB VAL 8 -1.753 6.494 -1.373 48 HG11 VAL 8 1HG1 VAL 8 -1.064 5.888 -3.648 49 HG12 VAL 8 2HG1 VAL 8 -2.756 5.786 -4.132 50 HG13 VAL 8 3HG1 VAL 8 -2.111 4.656 -2.941 51 HG21 VAL 8 1HG2 VAL 8 -3.047 8.252 -3.455 52 HG22 VAL 8 2HG2 VAL 8 -1.335 8.248 -3.045 53 HG23 VAL 8 3HG2 VAL 8 -2.528 8.747 -1.844 54 H LYS 9 H LYS 9 -5.125 4.357 -2.582 55 HA LYS 9 HA LYS 9 -4.455 2.681 -0.294 56 HB2 LYS 9 2HB LYS 9 -6.365 1.281 -0.979 57 HB3 LYS 9 1HB LYS 9 -6.854 2.921 -0.585 58 HG2 LYS 9 2HG LYS 9 -6.969 3.439 -2.998 59 HG3 LYS 9 1HG LYS 9 -6.532 1.769 -3.363 60 HD2 LYS 9 2HD LYS 9 -9.000 2.703 -1.893 61 HD3 LYS 9 1HD LYS 9 -8.938 2.131 -3.555 62 HE2 LYS 9 2HE LYS 9 -8.225 -0.079 -2.789 63 HE3 LYS 9 1HE LYS 9 -8.221 0.485 -1.122 64 HZ1 LYS 9 1HZ LYS 9 -10.217 -0.710 -1.567 65 HZ2 LYS 9 2HZ LYS 9 -10.590 0.257 -2.892 66 HZ3 LYS 9 3HZ LYS 9 -10.612 0.915 -1.342 67 H VAL 10 H VAL 10 -2.993 1.193 -0.589 68 HA VAL 10 HA VAL 10 -2.489 0.306 -3.340 69 HB VAL 10 HB VAL 10 -0.452 0.476 -1.094 70 HG11 VAL 10 1HG1 VAL 10 -0.145 -0.335 -3.986 71 HG12 VAL 10 2HG1 VAL 10 0.023 -1.392 -2.582 72 HG13 VAL 10 3HG1 VAL 10 1.180 -0.086 -2.856 73 HG21 VAL 10 1HG2 VAL 10 -1.024 2.678 -1.952 74 HG22 VAL 10 2HG2 VAL 10 -0.764 2.114 -3.601 75 HG23 VAL 10 3HG2 VAL 10 0.596 2.216 -2.485 76 H CYS 11 H CYS 11 -2.600 -1.764 -3.752 77 HA CYS 11 HA CYS 11 -3.084 -3.562 -1.509 78 HB2 CYS 11 2HB CYS 11 -4.231 -3.644 -4.307 79 HB3 CYS 11 1HB CYS 11 -4.572 -4.778 -3.003 80 H ARG 12 H ARG 12 -1.672 -5.111 -1.295 81 HA ARG 12 HA ARG 12 -0.366 -6.339 -3.586 82 HB2 ARG 12 2HB ARG 12 1.093 -5.118 -1.218 83 HB3 ARG 12 1HB ARG 12 1.813 -6.351 -2.223 84 HG2 ARG 12 2HG ARG 12 0.911 -3.641 -3.181 85 HG3 ARG 12 1HG ARG 12 2.570 -4.085 -2.784 86 HD2 ARG 12 2HD ARG 12 2.427 -5.872 -4.533 87 HD3 ARG 12 1HD ARG 12 0.850 -5.225 -4.989 88 HE ARG 12 HE ARG 12 2.516 -3.092 -5.044 89 HH11 ARG 12 1HH1 ARG 12 2.335 -6.171 -6.809 90 HH12 ARG 12 2HH1 ARG 12 3.277 -5.632 -8.116 91 HH21 ARG 12 1HH2 ARG 12 3.846 -2.382 -6.816 92 HH22 ARG 12 2HH2 ARG 12 4.125 -3.433 -8.130 93 HA PRO 13 HA PRO 13 -1.238 -10.085 -1.340 94 HB2 PRO 13 2HB PRO 13 1.200 -11.394 -1.445 95 HB3 PRO 13 1HB PRO 13 0.006 -11.399 -2.746 96 HG2 PRO 13 2HG PRO 13 2.421 -9.659 -2.401 97 HG3 PRO 13 1HG PRO 13 1.837 -10.476 -3.862 98 HD2 PRO 13 2HD PRO 13 1.404 -7.900 -3.551 99 HD3 PRO 13 1HD PRO 13 0.102 -8.942 -4.163 100 H ASP 14 H ASP 14 1.620 -8.315 -0.485 101 HA ASP 14 HA ASP 14 1.477 -9.362 2.260 102 HB2 ASP 14 2HB ASP 14 3.846 -8.179 0.799 103 HB3 ASP 14 1HB ASP 14 3.862 -8.684 2.480 104 HA PRO 15 HA PRO 15 0.148 -5.245 3.336 105 HB2 PRO 15 2HB PRO 15 0.926 -5.300 5.987 106 HB3 PRO 15 1HB PRO 15 -0.586 -5.980 5.382 107 HG2 PRO 15 2HG PRO 15 1.991 -7.350 6.015 108 HG3 PRO 15 1HG PRO 15 0.331 -7.894 6.316 109 HD2 PRO 15 2HD PRO 15 1.781 -8.870 4.280 110 HD3 PRO 15 1HD PRO 15 0.033 -8.600 4.138 111 H GLU 16 H GLU 16 3.357 -6.365 4.402 112 HA GLU 16 HA GLU 16 4.401 -3.767 4.795 113 HB2 GLU 16 2HB GLU 16 5.352 -5.769 5.852 114 HB3 GLU 16 1HB GLU 16 5.824 -6.370 4.272 115 HG2 GLU 16 2HG GLU 16 7.405 -4.634 3.993 116 HG3 GLU 16 1HG GLU 16 6.837 -3.809 5.443 117 H GLU 17 H GLU 17 4.240 -5.940 2.087 118 HA GLU 17 HA GLU 17 5.971 -4.563 0.318 119 HB2 GLU 17 2HB GLU 17 5.065 -6.876 0.014 120 HB3 GLU 17 1HB GLU 17 3.501 -6.168 -0.379 121 HG2 GLU 17 2HG GLU 17 4.557 -6.736 -2.407 122 HG3 GLU 17 1HG GLU 17 4.665 -4.983 -2.258 123 H ALA 18 H ALA 18 2.490 -4.489 0.913 124 HA ALA 18 HA ALA 18 1.781 -2.535 -0.949 125 HB1 ALA 18 1HB ALA 18 -0.283 -2.306 0.314 126 HB2 ALA 18 2HB ALA 18 0.447 -3.118 1.696 127 HB3 ALA 18 3HB ALA 18 0.154 -4.012 0.207 128 H ARG 19 H ARG 19 2.680 -2.267 2.464 129 HA ARG 19 HA ARG 19 2.418 0.496 2.768 130 HB2 ARG 19 2HB ARG 19 2.834 -0.940 4.690 131 HB3 ARG 19 1HB ARG 19 4.417 -1.365 4.041 132 HG2 ARG 19 2HG ARG 19 5.081 1.010 4.198 133 HG3 ARG 19 1HG ARG 19 3.545 1.352 4.984 134 HD2 ARG 19 2HD ARG 19 4.124 -0.006 6.853 135 HD3 ARG 19 1HD ARG 19 5.557 -0.626 6.025 136 HE ARG 19 HE ARG 19 5.760 2.132 6.064 137 HH11 ARG 19 1HH1 ARG 19 5.730 -0.447 8.480 138 HH12 ARG 19 2HH1 ARG 19 6.801 0.340 9.540 139 HH21 ARG 19 1HH2 ARG 19 7.123 3.222 7.476 140 HH22 ARG 19 2HH2 ARG 19 7.596 2.552 8.976 141 H ARG 20 H ARG 20 5.273 -1.394 1.849 142 HA ARG 20 HA ARG 20 7.013 0.740 1.560 143 HB2 ARG 20 2HB ARG 20 6.996 -1.958 0.251 144 HB3 ARG 20 1HB ARG 20 8.290 -0.804 -0.014 145 HG2 ARG 20 2HG ARG 20 8.723 -0.784 2.413 146 HG3 ARG 20 1HG ARG 20 7.463 -2.003 2.618 147 HD2 ARG 20 2HD ARG 20 9.697 -2.990 2.568 148 HD3 ARG 20 1HD ARG 20 8.705 -3.552 1.221 149 HE ARG 20 HE ARG 20 9.991 -1.538 0.079 150 HH11 ARG 20 1HH1 ARG 20 11.266 -4.143 2.108 151 HH12 ARG 20 2HH1 ARG 20 12.805 -4.134 1.381 152 HH21 ARG 20 1HH2 ARG 20 12.078 -1.528 -0.897 153 HH22 ARG 20 2HH2 ARG 20 13.290 -2.607 -0.376 154 H GLU 21 H GLU 21 4.994 -0.806 -0.893 155 HA GLU 21 HA GLU 21 5.649 0.759 -3.100 156 HB2 GLU 21 2HB GLU 21 3.021 -0.415 -2.240 157 HB3 GLU 21 1HB GLU 21 3.269 0.316 -3.820 158 HG2 GLU 21 2HG GLU 21 4.739 -2.072 -2.738 159 HG3 GLU 21 1HG GLU 21 3.356 -2.136 -3.827 160 H ALA 22 H ALA 22 3.126 1.217 -0.681 161 HA ALA 22 HA ALA 22 1.989 3.542 -1.677 162 HB1 ALA 22 1HB ALA 22 0.882 3.716 0.440 163 HB2 ALA 22 2HB ALA 22 2.048 2.622 1.183 164 HB3 ALA 22 3HB ALA 22 0.942 2.023 -0.052 165 H GLU 23 H GLU 23 4.228 3.281 1.111 166 HA GLU 23 HA GLU 23 4.251 6.106 1.298 167 HB2 GLU 23 2HB GLU 23 5.979 5.896 3.037 168 HB3 GLU 23 1HB GLU 23 4.566 4.902 3.335 169 HG2 GLU 23 2HG GLU 23 5.761 2.927 2.706 170 HG3 GLU 23 1HG GLU 23 7.146 3.884 2.178 171 H GLU 24 H GLU 24 6.268 3.901 -0.449 172 HA GLU 24 HA GLU 24 8.350 5.807 -0.844 173 HB2 GLU 24 2HB GLU 24 8.676 3.356 -1.128 174 HB3 GLU 24 1HB GLU 24 7.633 3.401 -2.535 175 HG2 GLU 24 2HG GLU 24 9.227 4.788 -3.713 176 HG3 GLU 24 1HG GLU 24 10.246 4.876 -2.277 177 H ARG 25 H ARG 25 5.334 5.011 -2.472 178 HA ARG 25 HA ARG 25 5.818 6.839 -4.609 179 HB2 ARG 25 2HB ARG 25 4.212 4.962 -4.884 180 HB3 ARG 25 1HB ARG 25 3.152 5.720 -3.696 181 HG2 ARG 25 2HG ARG 25 2.994 7.708 -5.144 182 HG3 ARG 25 1HG ARG 25 3.979 6.883 -6.342 183 HD2 ARG 25 2HD ARG 25 2.244 5.162 -6.558 184 HD3 ARG 25 1HD ARG 25 1.259 6.022 -5.366 185 HE ARG 25 HE ARG 25 2.103 7.677 -7.520 186 HH11 ARG 25 1HH1 ARG 25 -0.407 5.357 -6.605 187 HH12 ARG 25 2HH1 ARG 25 -1.553 5.973 -7.718 188 HH21 ARG 25 1HH2 ARG 25 0.496 8.524 -9.008 189 HH22 ARG 25 2HH2 ARG 25 -1.039 7.780 -9.072 190 H CYS 26 H CYS 26 4.080 6.992 -1.547 191 HA CYS 26 HA CYS 26 2.991 9.529 -1.804 192 HB2 CYS 26 2HB CYS 26 3.948 8.114 0.690 193 HB3 CYS 26 1HB CYS 26 2.994 9.588 0.702 194 HN1 NH2 27 HN1 NH2 27 5.892 8.895 0.182 195 HN2 NH2 27 HN2 NH2 27 6.649 10.398 -0.208
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