NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20402 | 2fqc | 6951 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H PHE 1 1HT PHE 1 5.439 14.499 2.745 2 2H PHE 1 2HT PHE 1 6.271 13.243 3.514 3 3H PHE 1 3HT PHE 1 4.589 13.355 3.658 4 HA PHE 1 HA PHE 1 5.563 13.202 0.946 5 1HB PHE 1 2HB PHE 1 7.116 11.692 2.152 6 2HB PHE 1 1HB PHE 1 5.741 10.848 2.852 7 HD1 PHE 1 1HD PHE 1 6.871 11.888 -0.560 8 HD2 PHE 1 2HD PHE 1 5.261 8.824 1.918 9 HE1 PHE 1 1HE PHE 1 6.828 10.357 -2.486 10 HE2 PHE 1 2HE PHE 1 5.216 7.288 -0.004 11 HZ PHE 1 HZ PHE 1 6.000 8.054 -2.209 12 HA PRO 2 HA PRO 2 1.130 12.600 0.908 13 1HB PRO 2 2HB PRO 2 0.854 12.170 -1.759 14 2HB PRO 2 1HB PRO 2 1.113 13.777 -1.072 15 1HG PRO 2 2HG PRO 2 3.081 11.924 -2.353 16 2HG PRO 2 1HG PRO 2 2.911 13.679 -2.538 17 1HD PRO 2 2HD PRO 2 4.789 12.546 -0.943 18 2HD PRO 2 1HD PRO 2 4.052 14.122 -0.590 19 H ARG 3 H ARG 3 -0.177 10.835 1.082 20 HA ARG 3 HA ARG 3 0.990 8.244 1.030 21 1HB ARG 3 2HB ARG 3 -1.772 9.289 1.537 22 2HB ARG 3 1HB ARG 3 -1.513 7.564 1.327 23 1HG ARG 3 2HG ARG 3 0.070 7.588 3.201 24 2HG ARG 3 1HG ARG 3 -0.239 9.313 3.421 25 1HD ARG 3 2HD ARG 3 -1.549 7.912 4.974 26 2HD ARG 3 1HD ARG 3 -2.566 8.875 3.905 27 HE ARG 3 HE ARG 3 -3.400 6.946 3.005 28 1HH1 ARG 3 1HH1 ARG 3 -0.506 6.147 4.814 29 2HH1 ARG 3 2HH1 ARG 3 -0.696 4.438 4.607 30 1HH2 ARG 3 1HH2 ARG 3 -3.647 4.702 2.711 31 2HH2 ARG 3 2HH2 ARG 3 -2.492 3.610 3.413 32 HA PRO 4 HA PRO 4 0.341 7.598 -3.358 33 1HB PRO 4 2HB PRO 4 1.175 4.853 -2.632 34 2HB PRO 4 1HB PRO 4 1.870 5.960 -3.820 35 1HG PRO 4 2HG PRO 4 3.123 5.425 -1.515 36 2HG PRO 4 1HG PRO 4 3.175 7.041 -2.247 37 1HD PRO 4 2HD PRO 4 1.532 6.055 0.055 38 2HD PRO 4 1HD PRO 4 2.356 7.613 -0.160 39 H ARG 5 H ARG 5 -1.430 6.891 -4.412 40 HA ARG 5 HA ARG 5 -3.691 5.984 -3.082 41 1HB ARG 5 2HB ARG 5 -3.724 7.095 -5.288 42 2HB ARG 5 1HB ARG 5 -3.043 5.647 -6.017 43 1HG ARG 5 2HG ARG 5 -5.028 4.382 -5.427 44 2HG ARG 5 1HG ARG 5 -5.707 5.794 -4.617 45 1HD ARG 5 2HD ARG 5 -5.018 5.633 -7.551 46 2HD ARG 5 1HD ARG 5 -6.636 5.449 -6.877 47 HE ARG 5 HE ARG 5 -5.243 7.888 -7.366 48 1HH1 ARG 5 1HH1 ARG 5 -7.646 6.393 -5.302 49 2HH1 ARG 5 2HH1 ARG 5 -8.370 7.896 -4.836 50 1HH2 ARG 5 1HH2 ARG 5 -6.198 9.879 -6.753 51 2HH2 ARG 5 2HH2 ARG 5 -7.545 9.882 -5.663 52 H ILE 6 H ILE 6 -1.127 4.182 -4.636 53 HA ILE 6 HA ILE 6 -2.365 1.658 -4.684 54 HB ILE 6 HB ILE 6 0.577 2.269 -4.434 55 1HG1 ILE 6 2HG1 ILE 6 -0.398 3.404 -6.369 56 2HG1 ILE 6 1HG1 ILE 6 0.638 2.080 -6.892 57 1HG2 ILE 6 1HG2 ILE 6 -0.805 -0.195 -4.415 58 2HG2 ILE 6 2HG2 ILE 6 0.937 0.081 -4.463 59 3HG2 ILE 6 3HG2 ILE 6 0.027 -0.071 -5.966 60 1HD1 ILE 6 1HD1 ILE 6 -1.881 0.942 -6.697 61 2HD1 ILE 6 2HD1 ILE 6 -1.046 1.428 -8.174 62 3HD1 ILE 6 3HD1 ILE 6 -2.166 2.540 -7.387 63 H CYS 7 H CYS 7 -0.447 3.292 -2.230 64 HA CYS 7 HA CYS 7 -0.117 1.153 -0.462 65 1HB CYS 7 2HB CYS 7 -0.315 4.125 0.013 66 2HB CYS 7 1HB CYS 7 0.028 2.977 1.299 67 H ASN 8 H ASN 8 -2.834 3.198 -1.118 68 HA ASN 8 HA ASN 8 -4.311 2.555 1.246 69 1HB ASN 8 2HB ASN 8 -5.223 3.601 -1.442 70 2HB ASN 8 1HB ASN 8 -6.284 3.412 -0.051 71 1HD2 ASN 8 1HD2 ASN 8 -4.772 5.656 -1.714 72 2HD2 ASN 8 2HD2 ASN 8 -4.371 6.789 -0.477 73 H LEU 9 H LEU 9 -4.292 1.354 -2.060 74 HA LEU 9 HA LEU 9 -6.266 -0.633 -1.751 75 1HB LEU 9 2HB LEU 9 -5.640 0.045 -3.954 76 2HB LEU 9 1HB LEU 9 -3.953 -0.322 -3.654 77 HG LEU 9 HG LEU 9 -4.568 -2.737 -3.505 78 1HD1 LEU 9 1HD1 LEU 9 -7.246 -1.672 -4.372 79 2HD1 LEU 9 2HD1 LEU 9 -6.875 -2.645 -2.948 80 3HD1 LEU 9 3HD1 LEU 9 -6.760 -3.356 -4.559 81 1HD2 LEU 9 1HD2 LEU 9 -4.540 -3.071 -5.827 82 2HD2 LEU 9 2HD2 LEU 9 -3.737 -1.521 -5.582 83 3HD2 LEU 9 3HD2 LEU 9 -5.410 -1.569 -6.141 84 H ALA 10 H ALA 10 -2.784 -0.647 -1.449 85 HA ALA 10 HA ALA 10 -2.337 -3.351 -0.965 86 1HB ALA 10 1HB ALA 10 -0.444 -2.034 0.574 87 2HB ALA 10 2HB ALA 10 -0.846 -0.882 -0.699 88 3HB ALA 10 3HB ALA 10 -0.284 -2.500 -1.120 89 H CYS 11 H CYS 11 -3.025 -0.720 1.337 90 HA CYS 11 HA CYS 11 -2.794 -2.269 3.676 91 1HB CYS 11 2HB CYS 11 -4.519 0.166 3.130 92 2HB CYS 11 1HB CYS 11 -4.286 -0.530 4.724 93 H ARG 12 H ARG 12 -5.583 -1.568 1.602 94 HA ARG 12 HA ARG 12 -7.538 -2.819 3.175 95 1HB ARG 12 2HB ARG 12 -7.996 -1.275 1.282 96 2HB ARG 12 1HB ARG 12 -7.507 -2.546 0.168 97 1HG ARG 12 2HG ARG 12 -9.329 -3.967 1.120 98 2HG ARG 12 1HG ARG 12 -9.873 -2.554 2.025 99 1HD ARG 12 2HD ARG 12 -11.172 -2.745 0.006 100 2HD ARG 12 1HD ARG 12 -10.123 -1.333 -0.111 101 HE ARG 12 HE ARG 12 -9.167 -2.276 -1.941 102 1HH1 ARG 12 1HH1 ARG 12 -10.630 -4.850 -0.066 103 2HH1 ARG 12 2HH1 ARG 12 -10.236 -6.087 -1.211 104 1HH2 ARG 12 1HH2 ARG 12 -8.649 -3.909 -3.463 105 2HH2 ARG 12 2HH2 ARG 12 -9.106 -5.550 -3.149 106 H ALA 13 H ALA 13 -5.664 -4.080 0.439 107 HA ALA 13 HA ALA 13 -6.803 -6.693 0.648 108 1HB ALA 13 1HB ALA 13 -5.536 -5.379 -1.344 109 2HB ALA 13 2HB ALA 13 -5.778 -7.125 -1.309 110 3HB ALA 13 3HB ALA 13 -4.247 -6.436 -0.770 111 H GLY 14 H GLY 14 -4.436 -5.065 2.301 112 1HA GLY 14 2HA GLY 14 -3.127 -5.717 4.094 113 2HA GLY 14 1HA GLY 14 -3.761 -7.336 3.897 114 H ILE 15 H ILE 15 -2.440 -5.826 1.172 115 HA ILE 15 HA ILE 15 -0.213 -7.709 1.213 116 HB ILE 15 HB ILE 15 0.165 -6.968 -1.154 117 1HG1 ILE 15 2HG1 ILE 15 -2.459 -5.519 -0.737 118 2HG1 ILE 15 1HG1 ILE 15 -0.893 -4.750 -0.974 119 1HG2 ILE 15 1HG2 ILE 15 -2.477 -7.840 -1.578 120 2HG2 ILE 15 2HG2 ILE 15 -1.930 -8.583 -0.075 121 3HG2 ILE 15 3HG2 ILE 15 -1.003 -8.808 -1.557 122 1HD1 ILE 15 1HD1 ILE 15 -2.685 -5.209 -2.934 123 2HD1 ILE 15 2HD1 ILE 15 -1.676 -6.649 -3.068 124 3HD1 ILE 15 3HD1 ILE 15 -0.948 -5.047 -3.193 125 H GLY 16 H GLY 16 -0.542 -5.200 2.791 126 1HA GLY 16 2HA GLY 16 1.251 -3.225 1.902 127 2HA GLY 16 1HA GLY 16 0.819 -3.527 3.580 128 H HIS 17 H HIS 17 1.808 -6.111 3.878 129 HA HIS 17 HA HIS 17 4.556 -5.554 4.328 130 1HB HIS 17 2HB HIS 17 2.969 -7.182 5.597 131 2HB HIS 17 1HB HIS 17 3.422 -8.337 4.350 132 HD1 HIS 17 1HD HIS 17 6.363 -8.073 4.088 133 HD2 HIS 17 2HD HIS 17 4.456 -7.738 7.770 134 HE1 HIS 17 1HE HIS 17 8.117 -8.610 5.810 135 H LYS 18 H LYS 18 2.833 -6.732 1.645 136 HA LYS 18 HA LYS 18 5.055 -8.161 0.479 137 1HB LYS 18 2HB LYS 18 2.801 -8.962 0.039 138 2HB LYS 18 1HB LYS 18 2.357 -7.410 -0.658 139 1HG LYS 18 2HG LYS 18 2.772 -9.063 -2.389 140 2HG LYS 18 1HG LYS 18 3.953 -7.754 -2.466 141 1HD LYS 18 2HD LYS 18 5.381 -9.335 -0.957 142 2HD LYS 18 1HD LYS 18 4.316 -10.590 -1.593 143 1HE LYS 18 2HE LYS 18 6.319 -10.431 -2.947 144 2HE LYS 18 1HE LYS 18 4.915 -9.913 -3.879 145 1HZ LYS 18 1HZ LYS 18 7.238 -8.511 -3.533 146 2HZ LYS 18 2HZ LYS 18 6.145 -7.730 -2.502 147 3HZ LYS 18 3HZ LYS 18 5.786 -7.900 -4.149 148 H TYR 19 H TYR 19 3.504 -5.021 0.168 149 HA TYR 19 HA TYR 19 5.319 -4.280 -2.014 150 1HB TYR 19 2HB TYR 19 2.923 -2.921 -0.779 151 2HB TYR 19 1HB TYR 19 3.969 -2.108 -1.935 152 HD1 TYR 19 1HD TYR 19 2.938 -5.678 -2.051 153 HD2 TYR 19 2HD TYR 19 2.459 -1.796 -3.722 154 HE1 TYR 19 1HE TYR 19 1.638 -6.639 -3.900 155 HE2 TYR 19 2HE TYR 19 1.157 -2.750 -5.576 156 HH TYR 19 HH TYR 19 0.260 -4.586 -6.442 157 HA PRO 20 HA PRO 20 8.208 -2.840 1.165 158 1HB PRO 20 2HB PRO 20 9.405 -1.674 -1.304 159 2HB PRO 20 1HB PRO 20 10.176 -2.584 -0.001 160 1HG PRO 20 2HG PRO 20 9.670 -3.747 -2.335 161 2HG PRO 20 1HG PRO 20 9.437 -4.632 -0.815 162 1HD PRO 20 2HD PRO 20 7.409 -3.418 -2.637 163 2HD PRO 20 1HD PRO 20 7.316 -4.907 -1.676 164 H PHE 21 H PHE 21 7.289 -0.701 -1.543 165 HA PHE 21 HA PHE 21 7.767 1.676 -0.070 166 1HB PHE 21 2HB PHE 21 6.396 2.728 -1.986 167 2HB PHE 21 1HB PHE 21 7.936 1.975 -2.369 168 HD1 PHE 21 1HD PHE 21 4.284 1.226 -2.277 169 HD2 PHE 21 2HD PHE 21 8.055 0.448 -4.085 170 HE1 PHE 21 1HE PHE 21 3.180 -0.172 -3.970 171 HE2 PHE 21 2HE PHE 21 6.957 -0.954 -5.781 172 HZ PHE 21 HZ PHE 21 4.516 -1.265 -5.726 173 H CYS 22 H CYS 22 5.112 -0.491 -0.195 174 HA CYS 22 HA CYS 22 3.509 1.424 1.372 175 1HB CYS 22 2HB CYS 22 2.543 -0.680 -0.578 176 2HB CYS 22 1HB CYS 22 1.490 0.198 0.525 177 H HIS 23 H HIS 23 5.256 0.073 2.732 178 HA HIS 23 HA HIS 23 4.633 -2.544 3.541 179 1HB HIS 23 2HB HIS 23 6.117 -1.972 5.548 180 2HB HIS 23 1HB HIS 23 6.846 -1.900 3.949 181 HD1 HIS 23 1HD HIS 23 7.280 0.528 2.970 182 HD2 HIS 23 2HD HIS 23 6.189 0.371 6.985 183 HE1 HIS 23 1HE HIS 23 7.805 2.805 3.907 184 H CYS 24 H CYS 24 2.308 -1.727 3.622 185 HA CYS 24 HA CYS 24 1.415 -0.738 6.207 186 1HB CYS 24 2HB CYS 24 0.447 -0.201 3.873 187 2HB CYS 24 1HB CYS 24 -0.293 -1.793 3.971 188 H ARG 25 H ARG 25 -0.866 -2.113 6.574 189 HA ARG 25 HA ARG 25 -0.072 -4.400 7.989 190 1HB ARG 25 2HB ARG 25 -2.465 -4.879 8.251 191 2HB ARG 25 1HB ARG 25 -2.122 -3.178 8.533 192 1HG ARG 25 2HG ARG 25 -2.971 -2.602 6.346 193 2HG ARG 25 1HG ARG 25 -3.212 -4.306 5.961 194 1HD ARG 25 2HD ARG 25 -4.575 -2.868 8.234 195 2HD ARG 25 1HD ARG 25 -5.289 -3.101 6.640 196 HE ARG 25 HE ARG 25 -5.071 -5.036 8.741 197 1HH1 ARG 25 1HH1 ARG 25 -5.367 -4.625 5.266 198 2HH1 ARG 25 2HH1 ARG 25 -5.976 -6.229 5.005 199 1HH2 ARG 25 1HH2 ARG 25 -5.874 -7.153 8.386 200 2HH2 ARG 25 2HH2 ARG 25 -6.260 -7.664 6.777 201 1HN NH2 26 1H ARG 25 0.019 -6.572 7.438 202 2HN NH2 26 2H ARG 25 -0.853 -7.253 6.110 Start of MODEL 2 1 1H PHE 1 1HT PHE 1 2.421 12.735 5.175 2 2H PHE 1 2HT PHE 1 3.283 14.149 5.525 3 3H PHE 1 3HT PHE 1 3.554 12.746 6.432 4 HA PHE 1 HA PHE 1 4.973 13.573 4.262 5 1HB PHE 1 2HB PHE 1 5.960 11.230 4.466 6 2HB PHE 1 1HB PHE 1 5.932 12.190 5.938 7 HD1 PHE 1 1HD PHE 1 3.977 9.569 4.137 8 HD2 PHE 1 2HD PHE 1 5.074 11.287 7.874 9 HE1 PHE 1 1HE PHE 1 2.819 7.747 5.312 10 HE2 PHE 1 2HE PHE 1 3.914 9.466 9.054 11 HZ PHE 1 HZ PHE 1 2.786 7.693 7.772 12 HA PRO 2 HA PRO 2 2.896 12.173 0.638 13 1HB PRO 2 2HB PRO 2 5.009 11.727 -1.021 14 2HB PRO 2 1HB PRO 2 4.436 13.343 -0.596 15 1HG PRO 2 2HG PRO 2 6.732 11.789 0.533 16 2HG PRO 2 1HG PRO 2 6.650 13.507 0.096 17 1HD PRO 2 2HD PRO 2 6.433 12.651 2.651 18 2HD PRO 2 1HD PRO 2 5.569 14.082 2.052 19 H ARG 3 H ARG 3 2.116 10.301 -0.135 20 HA ARG 3 HA ARG 3 3.711 7.881 -0.125 21 1HB ARG 3 2HB ARG 3 1.311 8.282 1.637 22 2HB ARG 3 1HB ARG 3 1.667 6.687 0.989 23 1HG ARG 3 2HG ARG 3 3.516 8.352 2.687 24 2HG ARG 3 1HG ARG 3 2.575 6.959 3.228 25 1HD ARG 3 2HD ARG 3 3.847 5.461 1.967 26 2HD ARG 3 1HD ARG 3 4.492 6.736 0.934 27 HE ARG 3 HE ARG 3 5.321 7.182 3.581 28 1HH1 ARG 3 1HH1 ARG 3 5.843 4.925 0.964 29 2HH1 ARG 3 2HH1 ARG 3 7.495 4.619 1.380 30 1HH2 ARG 3 1HH2 ARG 3 7.503 6.773 4.156 31 2HH2 ARG 3 2HH2 ARG 3 8.444 5.672 3.208 32 HA PRO 4 HA PRO 4 1.535 7.336 -3.918 33 1HB PRO 4 2HB PRO 4 1.923 4.437 -3.473 34 2HB PRO 4 1HB PRO 4 2.474 5.454 -4.808 35 1HG PRO 4 2HG PRO 4 4.179 4.527 -2.965 36 2HG PRO 4 1HG PRO 4 4.370 6.139 -3.679 37 1HD PRO 4 2HD PRO 4 3.282 5.366 -1.003 38 2HD PRO 4 1HD PRO 4 4.315 6.739 -1.446 39 H ARG 5 H ARG 5 -0.514 6.931 -4.565 40 HA ARG 5 HA ARG 5 -2.544 6.456 -2.697 41 1HB ARG 5 2HB ARG 5 -2.778 7.665 -4.882 42 2HB ARG 5 1HB ARG 5 -2.730 6.107 -5.695 43 1HG ARG 5 2HG ARG 5 -4.782 5.431 -4.656 44 2HG ARG 5 1HG ARG 5 -4.797 6.879 -3.645 45 1HD ARG 5 2HD ARG 5 -4.975 8.268 -5.667 46 2HD ARG 5 1HD ARG 5 -5.002 6.809 -6.656 47 HE ARG 5 HE ARG 5 -7.180 7.953 -5.202 48 1HH1 ARG 5 1HH1 ARG 5 -5.894 4.945 -6.453 49 2HH1 ARG 5 2HH1 ARG 5 -7.429 4.145 -6.476 50 1HH2 ARG 5 1HH2 ARG 5 -9.214 6.902 -5.229 51 2HH2 ARG 5 2HH2 ARG 5 -9.324 5.262 -5.778 52 H ILE 6 H ILE 6 -0.540 4.302 -4.401 53 HA ILE 6 HA ILE 6 -2.151 2.005 -4.588 54 HB ILE 6 HB ILE 6 0.818 2.051 -4.100 55 1HG1 ILE 6 2HG1 ILE 6 -0.632 2.276 -6.750 56 2HG1 ILE 6 1HG1 ILE 6 0.201 3.598 -5.942 57 1HG2 ILE 6 1HG2 ILE 6 -0.098 0.088 -5.984 58 2HG2 ILE 6 2HG2 ILE 6 -1.006 -0.049 -4.479 59 3HG2 ILE 6 3HG2 ILE 6 0.755 -0.143 -4.458 60 1HD1 ILE 6 1HD1 ILE 6 1.996 3.032 -7.109 61 2HD1 ILE 6 2HD1 ILE 6 1.248 1.530 -7.652 62 3HD1 ILE 6 3HD1 ILE 6 2.100 1.584 -6.110 63 H CYS 7 H CYS 7 -0.319 3.415 -1.969 64 HA CYS 7 HA CYS 7 -0.096 1.279 -0.217 65 1HB CYS 7 2HB CYS 7 -0.537 4.217 0.323 66 2HB CYS 7 1HB CYS 7 -0.206 3.050 1.591 67 H ASN 8 H ASN 8 -2.853 3.224 -1.041 68 HA ASN 8 HA ASN 8 -4.547 2.549 1.127 69 1HB ASN 8 2HB ASN 8 -4.988 4.361 -0.558 70 2HB ASN 8 1HB ASN 8 -5.393 3.113 -1.723 71 1HD2 ASN 8 1HD2 ASN 8 -7.483 2.825 -1.948 72 2HD2 ASN 8 2HD2 ASN 8 -8.676 2.994 -0.712 73 H LEU 9 H LEU 9 -4.234 1.221 -2.114 74 HA LEU 9 HA LEU 9 -6.036 -0.915 -1.838 75 1HB LEU 9 2HB LEU 9 -5.352 -0.255 -4.026 76 2HB LEU 9 1HB LEU 9 -3.659 -0.480 -3.633 77 HG LEU 9 HG LEU 9 -4.077 -2.925 -3.444 78 1HD1 LEU 9 1HD1 LEU 9 -6.589 -2.728 -4.963 79 2HD1 LEU 9 2HD1 LEU 9 -6.697 -2.293 -3.258 80 3HD1 LEU 9 3HD1 LEU 9 -6.094 -3.882 -3.726 81 1HD2 LEU 9 1HD2 LEU 9 -4.777 -2.972 -6.071 82 2HD2 LEU 9 2HD2 LEU 9 -3.152 -2.651 -5.468 83 3HD2 LEU 9 3HD2 LEU 9 -4.217 -1.310 -5.885 84 H ALA 10 H ALA 10 -2.585 -0.658 -1.336 85 HA ALA 10 HA ALA 10 -1.962 -3.305 -0.781 86 1HB ALA 10 1HB ALA 10 0.074 -2.466 -0.496 87 2HB ALA 10 2HB ALA 10 -0.446 -1.533 0.907 88 3HB ALA 10 3HB ALA 10 -0.619 -0.860 -0.712 89 H CYS 11 H CYS 11 -2.971 -0.731 1.477 90 HA CYS 11 HA CYS 11 -2.890 -2.373 3.788 91 1HB CYS 11 2HB CYS 11 -4.602 0.080 3.286 92 2HB CYS 11 1HB CYS 11 -4.296 -0.646 4.854 93 H ARG 12 H ARG 12 -5.488 -1.502 1.544 94 HA ARG 12 HA ARG 12 -7.615 -2.704 2.884 95 1HB ARG 12 2HB ARG 12 -7.995 -1.171 1.063 96 2HB ARG 12 1HB ARG 12 -7.191 -2.249 -0.069 97 1HG ARG 12 2HG ARG 12 -9.602 -2.351 -0.330 98 2HG ARG 12 1HG ARG 12 -8.967 -3.899 0.231 99 1HD ARG 12 2HD ARG 12 -9.590 -3.246 2.549 100 2HD ARG 12 1HD ARG 12 -10.340 -1.791 1.895 101 HE ARG 12 HE ARG 12 -12.137 -3.045 1.278 102 1HH1 ARG 12 1HH1 ARG 12 -9.457 -5.225 1.919 103 2HH1 ARG 12 2HH1 ARG 12 -10.403 -6.655 1.656 104 1HH2 ARG 12 1HH2 ARG 12 -13.376 -4.939 0.937 105 2HH2 ARG 12 2HH2 ARG 12 -12.630 -6.493 1.098 106 H ALA 13 H ALA 13 -5.434 -4.086 0.454 107 HA ALA 13 HA ALA 13 -6.769 -6.657 0.666 108 1HB ALA 13 1HB ALA 13 -4.272 -6.115 -0.906 109 2HB ALA 13 2HB ALA 13 -5.868 -5.658 -1.500 110 3HB ALA 13 3HB ALA 13 -5.498 -7.352 -1.178 111 H GLY 14 H GLY 14 -4.614 -5.079 2.481 112 1HA GLY 14 2HA GLY 14 -3.198 -5.709 4.178 113 2HA GLY 14 1HA GLY 14 -3.822 -7.330 3.980 114 H ILE 15 H ILE 15 -2.517 -5.877 1.228 115 HA ILE 15 HA ILE 15 -0.265 -7.728 1.303 116 HB ILE 15 HB ILE 15 0.088 -7.051 -1.076 117 1HG1 ILE 15 2HG1 ILE 15 -2.493 -5.527 -0.638 118 2HG1 ILE 15 1HG1 ILE 15 -0.916 -4.821 -0.971 119 1HG2 ILE 15 1HG2 ILE 15 -2.453 -7.940 -1.622 120 2HG2 ILE 15 2HG2 ILE 15 -2.183 -8.500 0.029 121 3HG2 ILE 15 3HG2 ILE 15 -1.061 -8.957 -1.252 122 1HD1 ILE 15 1HD1 ILE 15 -1.857 -6.769 -2.956 123 2HD1 ILE 15 2HD1 ILE 15 -1.073 -5.206 -3.175 124 3HD1 ILE 15 3HD1 ILE 15 -2.802 -5.284 -2.836 125 H GLY 16 H GLY 16 -0.614 -5.195 2.830 126 1HA GLY 16 2HA GLY 16 1.132 -3.206 1.900 127 2HA GLY 16 1HA GLY 16 0.745 -3.502 3.590 128 H HIS 17 H HIS 17 1.782 -6.022 3.952 129 HA HIS 17 HA HIS 17 4.535 -5.437 4.286 130 1HB HIS 17 2HB HIS 17 2.768 -7.741 4.872 131 2HB HIS 17 1HB HIS 17 4.490 -8.084 4.735 132 HD1 HIS 17 1HD HIS 17 2.624 -5.196 6.413 133 HD2 HIS 17 2HD HIS 17 5.468 -8.122 7.244 134 HE1 HIS 17 1HE HIS 17 3.319 -4.810 8.797 135 H LYS 18 H LYS 18 2.789 -6.657 1.651 136 HA LYS 18 HA LYS 18 5.019 -8.101 0.513 137 1HB LYS 18 2HB LYS 18 2.699 -8.864 0.126 138 2HB LYS 18 1HB LYS 18 2.361 -7.365 -0.726 139 1HG LYS 18 2HG LYS 18 2.732 -8.922 -2.417 140 2HG LYS 18 1HG LYS 18 4.250 -8.033 -2.306 141 1HD LYS 18 2HD LYS 18 3.761 -10.667 -0.920 142 2HD LYS 18 1HD LYS 18 4.463 -10.536 -2.531 143 1HE LYS 18 2HE LYS 18 5.599 -9.378 0.016 144 2HE LYS 18 1HE LYS 18 6.198 -10.799 -0.838 145 1HZ LYS 18 1HZ LYS 18 7.595 -9.147 -1.574 146 2HZ LYS 18 2HZ LYS 18 6.388 -7.959 -1.599 147 3HZ LYS 18 3HZ LYS 18 6.428 -9.154 -2.800 148 H TYR 19 H TYR 19 3.397 -5.006 0.141 149 HA TYR 19 HA TYR 19 5.156 -4.227 -2.058 150 1HB TYR 19 2HB TYR 19 2.841 -2.875 -0.672 151 2HB TYR 19 1HB TYR 19 3.838 -2.041 -1.856 152 HD1 TYR 19 1HD TYR 19 2.105 -1.645 -3.443 153 HD2 TYR 19 2HD TYR 19 2.901 -5.610 -2.126 154 HE1 TYR 19 1HE TYR 19 0.699 -2.524 -5.258 155 HE2 TYR 19 2HE TYR 19 1.497 -6.499 -3.937 156 HH TYR 19 HH TYR 19 0.580 -4.782 -6.567 157 HA PRO 20 HA PRO 20 8.168 -2.816 1.014 158 1HB PRO 20 2HB PRO 20 9.357 -1.685 -1.468 159 2HB PRO 20 1HB PRO 20 10.110 -2.660 -0.201 160 1HG PRO 20 2HG PRO 20 9.511 -3.742 -2.553 161 2HG PRO 20 1HG PRO 20 9.264 -4.651 -1.049 162 1HD PRO 20 2HD PRO 20 7.257 -3.267 -2.780 163 2HD PRO 20 1HD PRO 20 7.124 -4.809 -1.910 164 H PHE 21 H PHE 21 7.146 -0.720 -1.681 165 HA PHE 21 HA PHE 21 7.754 1.683 -0.295 166 1HB PHE 21 2HB PHE 21 6.373 2.748 -2.162 167 2HB PHE 21 1HB PHE 21 7.818 1.864 -2.629 168 HD1 PHE 21 1HD PHE 21 7.696 0.290 -4.301 169 HD2 PHE 21 2HD PHE 21 4.134 1.418 -2.266 170 HE1 PHE 21 1HE PHE 21 6.372 -1.037 -5.893 171 HE2 PHE 21 2HE PHE 21 2.804 0.089 -3.852 172 HZ PHE 21 HZ PHE 21 3.922 -1.141 -5.668 173 H CYS 22 H CYS 22 5.164 -0.469 -0.022 174 HA CYS 22 HA CYS 22 3.710 1.495 1.601 175 1HB CYS 22 2HB CYS 22 2.467 -0.321 -0.478 176 2HB CYS 22 1HB CYS 22 1.547 0.525 0.758 177 H HIS 23 H HIS 23 5.334 -0.083 2.827 178 HA HIS 23 HA HIS 23 4.482 -2.707 3.407 179 1HB HIS 23 2HB HIS 23 6.058 -2.465 5.418 180 2HB HIS 23 1HB HIS 23 6.753 -2.357 3.808 181 HD1 HIS 23 1HD HIS 23 7.466 0.062 2.997 182 HD2 HIS 23 2HD HIS 23 6.420 -0.253 7.016 183 HE1 HIS 23 1HE HIS 23 8.291 2.175 4.082 184 H CYS 24 H CYS 24 2.262 -1.621 3.613 185 HA CYS 24 HA CYS 24 1.475 -0.670 6.207 186 1HB CYS 24 2HB CYS 24 0.428 -0.133 3.946 187 2HB CYS 24 1HB CYS 24 -0.278 -1.740 4.000 188 H ARG 25 H ARG 25 -0.797 -1.925 6.738 189 HA ARG 25 HA ARG 25 0.038 -4.321 8.046 190 1HB ARG 25 2HB ARG 25 -2.612 -2.898 7.829 191 2HB ARG 25 1HB ARG 25 -2.450 -4.432 8.668 192 1HG ARG 25 2HG ARG 25 -2.378 -2.696 10.290 193 2HG ARG 25 1HG ARG 25 -0.753 -3.365 10.151 194 1HD ARG 25 2HD ARG 25 -0.651 -0.949 10.291 195 2HD ARG 25 1HD ARG 25 -0.121 -1.484 8.700 196 HE ARG 25 HE ARG 25 -1.815 -0.269 7.790 197 1HH1 ARG 25 1HH1 ARG 25 -2.625 -0.875 11.146 198 2HH1 ARG 25 2HH1 ARG 25 -4.073 0.073 11.102 199 1HH2 ARG 25 1HH2 ARG 25 -3.721 0.988 7.729 200 2HH2 ARG 25 2HH2 ARG 25 -4.698 1.137 9.152 201 1HN NH2 26 1H ARG 25 -2.143 -6.027 7.857 202 2HN NH2 26 2H ARG 25 -1.825 -6.864 6.380 Start of MODEL 3 1 1H PHE 1 1HT PHE 1 6.062 13.144 3.517 2 2H PHE 1 2HT PHE 1 6.787 14.541 2.895 3 3H PHE 1 3HT PHE 1 7.710 13.144 3.131 4 HA PHE 1 HA PHE 1 6.549 13.892 0.804 5 1HB PHE 1 2HB PHE 1 7.480 11.213 1.856 6 2HB PHE 1 1HB PHE 1 7.050 11.464 0.169 7 HD1 PHE 1 1HD PHE 1 8.844 11.665 -1.215 8 HD2 PHE 1 2HD PHE 1 9.121 13.277 2.713 9 HE1 PHE 1 1HE PHE 1 11.134 12.423 -1.693 10 HE2 PHE 1 2HE PHE 1 11.413 14.041 2.241 11 HZ PHE 1 HZ PHE 1 12.421 13.614 0.036 12 HA PRO 2 HA PRO 2 2.295 12.688 0.986 13 1HB PRO 2 2HB PRO 2 1.806 12.317 -1.672 14 2HB PRO 2 1HB PRO 2 1.943 13.913 -0.925 15 1HG PRO 2 2HG PRO 2 3.979 12.366 -2.477 16 2HG PRO 2 1HG PRO 2 3.596 14.097 -2.544 17 1HD PRO 2 2HD PRO 2 5.734 13.127 -1.196 18 2HD PRO 2 1HD PRO 2 4.850 14.573 -0.669 19 H ARG 3 H ARG 3 1.345 10.788 1.420 20 HA ARG 3 HA ARG 3 2.696 8.346 0.997 21 1HB ARG 3 2HB ARG 3 0.643 7.301 1.936 22 2HB ARG 3 1HB ARG 3 1.297 8.590 2.934 23 1HG ARG 3 2HG ARG 3 -0.412 10.119 1.923 24 2HG ARG 3 1HG ARG 3 -1.130 8.697 1.162 25 1HD ARG 3 2HD ARG 3 -0.716 9.049 4.130 26 2HD ARG 3 1HD ARG 3 -2.238 9.325 3.285 27 HE ARG 3 HE ARG 3 -1.094 6.797 4.031 28 1HH1 ARG 3 1HH1 ARG 3 -3.331 8.403 1.868 29 2HH1 ARG 3 2HH1 ARG 3 -4.211 6.953 1.497 30 1HH2 ARG 3 1HH2 ARG 3 -2.269 4.884 3.539 31 2HH2 ARG 3 2HH2 ARG 3 -3.610 4.967 2.440 32 HA PRO 4 HA PRO 4 1.583 7.400 -3.165 33 1HB PRO 4 2HB PRO 4 1.841 4.602 -2.191 34 2HB PRO 4 1HB PRO 4 2.630 5.395 -3.559 35 1HG PRO 4 2HG PRO 4 3.980 4.888 -1.322 36 2HG PRO 4 1HG PRO 4 4.241 6.393 -2.223 37 1HD PRO 4 2HD PRO 4 2.710 5.938 0.303 38 2HD PRO 4 1HD PRO 4 3.727 7.313 -0.168 39 H ARG 5 H ARG 5 -0.261 6.979 -4.214 40 HA ARG 5 HA ARG 5 -2.664 6.573 -2.793 41 1HB ARG 5 2HB ARG 5 -2.131 6.340 -5.759 42 2HB ARG 5 1HB ARG 5 -3.722 6.451 -5.019 43 1HG ARG 5 2HG ARG 5 -1.579 8.565 -4.893 44 2HG ARG 5 1HG ARG 5 -2.994 8.589 -5.947 45 1HD ARG 5 2HD ARG 5 -4.454 8.604 -3.978 46 2HD ARG 5 1HD ARG 5 -3.037 8.587 -2.929 47 HE ARG 5 HE ARG 5 -4.162 10.841 -4.284 48 1HH1 ARG 5 1HH1 ARG 5 -1.209 9.539 -2.908 49 2HH1 ARG 5 2HH1 ARG 5 -0.424 11.077 -2.812 50 1HH2 ARG 5 1HH2 ARG 5 -3.127 12.876 -4.145 51 2HH2 ARG 5 2HH2 ARG 5 -1.518 12.979 -3.515 52 H ILE 6 H ILE 6 -0.476 4.418 -4.403 53 HA ILE 6 HA ILE 6 -2.138 2.172 -4.707 54 HB ILE 6 HB ILE 6 0.822 2.139 -4.157 55 1HG1 ILE 6 2HG1 ILE 6 -0.577 2.421 -6.829 56 2HG1 ILE 6 1HG1 ILE 6 0.239 3.730 -5.980 57 1HG2 ILE 6 1HG2 ILE 6 -0.845 0.030 -4.355 58 2HG2 ILE 6 2HG2 ILE 6 0.852 -0.014 -4.838 59 3HG2 ILE 6 3HG2 ILE 6 -0.404 0.241 -6.049 60 1HD1 ILE 6 1HD1 ILE 6 2.325 2.280 -6.092 61 2HD1 ILE 6 2HD1 ILE 6 1.757 3.002 -7.599 62 3HD1 ILE 6 3HD1 ILE 6 1.436 1.301 -7.261 63 H CYS 7 H CYS 7 -0.252 3.373 -2.015 64 HA CYS 7 HA CYS 7 -0.201 1.167 -0.348 65 1HB CYS 7 2HB CYS 7 -0.438 4.100 0.312 66 2HB CYS 7 1HB CYS 7 -0.184 2.859 1.525 67 H ASN 8 H ASN 8 -2.827 3.308 -1.111 68 HA ASN 8 HA ASN 8 -4.539 2.704 1.054 69 1HB ASN 8 2HB ASN 8 -5.235 3.473 -1.789 70 2HB ASN 8 1HB ASN 8 -6.390 3.410 -0.464 71 1HD2 ASN 8 1HD2 ASN 8 -4.825 5.487 -2.262 72 2HD2 ASN 8 2HD2 ASN 8 -4.538 6.766 -1.136 73 H LEU 9 H LEU 9 -4.210 1.259 -2.144 74 HA LEU 9 HA LEU 9 -6.182 -0.752 -1.785 75 1HB LEU 9 2HB LEU 9 -3.845 -1.172 -3.590 76 2HB LEU 9 1HB LEU 9 -5.538 -1.545 -3.861 77 HG LEU 9 HG LEU 9 -4.380 1.237 -3.870 78 1HD1 LEU 9 1HD1 LEU 9 -4.330 -0.826 -5.869 79 2HD1 LEU 9 2HD1 LEU 9 -3.630 0.792 -5.911 80 3HD1 LEU 9 3HD1 LEU 9 -5.298 0.539 -6.421 81 1HD2 LEU 9 1HD2 LEU 9 -6.474 1.994 -4.584 82 2HD2 LEU 9 2HD2 LEU 9 -6.856 0.844 -3.304 83 3HD2 LEU 9 3HD2 LEU 9 -7.026 0.370 -4.993 84 H ALA 10 H ALA 10 -2.748 -0.518 -1.344 85 HA ALA 10 HA ALA 10 -2.087 -3.170 -0.835 86 1HB ALA 10 1HB ALA 10 -0.468 -1.324 -1.165 87 2HB ALA 10 2HB ALA 10 -0.093 -2.348 0.220 88 3HB ALA 10 3HB ALA 10 -0.826 -0.763 0.468 89 H CYS 11 H CYS 11 -3.104 -0.659 1.507 90 HA CYS 11 HA CYS 11 -2.906 -2.346 3.779 91 1HB CYS 11 2HB CYS 11 -4.900 -0.083 3.516 92 2HB CYS 11 1HB CYS 11 -4.162 -0.701 4.982 93 H ARG 12 H ARG 12 -5.611 -1.505 1.651 94 HA ARG 12 HA ARG 12 -7.649 -2.839 2.989 95 1HB ARG 12 2HB ARG 12 -8.072 -1.247 1.195 96 2HB ARG 12 1HB ARG 12 -7.339 -2.338 0.028 97 1HG ARG 12 2HG ARG 12 -9.113 -3.978 0.469 98 2HG ARG 12 1HG ARG 12 -9.859 -2.845 1.596 99 1HD ARG 12 2HD ARG 12 -10.943 -2.793 -0.602 100 2HD ARG 12 1HD ARG 12 -10.202 -1.247 -0.198 101 HE ARG 12 HE ARG 12 -8.952 -1.451 -2.077 102 1HH1 ARG 12 1HH1 ARG 12 -9.841 -4.690 -1.073 103 2HH1 ARG 12 2HH1 ARG 12 -9.075 -5.457 -2.423 104 1HH2 ARG 12 1HH2 ARG 12 -7.947 -2.461 -3.865 105 2HH2 ARG 12 2HH2 ARG 12 -7.997 -4.186 -4.017 106 H ALA 13 H ALA 13 -5.454 -4.056 0.490 107 HA ALA 13 HA ALA 13 -6.681 -6.686 0.636 108 1HB ALA 13 1HB ALA 13 -4.504 -7.011 -0.966 109 2HB ALA 13 2HB ALA 13 -4.876 -5.305 -1.210 110 3HB ALA 13 3HB ALA 13 -6.106 -6.530 -1.527 111 H GLY 14 H GLY 14 -4.628 -5.091 2.517 112 1HA GLY 14 2HA GLY 14 -3.131 -5.685 4.150 113 2HA GLY 14 1HA GLY 14 -3.723 -7.316 3.952 114 H ILE 15 H ILE 15 -2.437 -5.782 1.210 115 HA ILE 15 HA ILE 15 -0.219 -7.655 1.215 116 HB ILE 15 HB ILE 15 0.201 -6.784 -1.111 117 1HG1 ILE 15 2HG1 ILE 15 -2.428 -5.369 -0.606 118 2HG1 ILE 15 1HG1 ILE 15 -0.869 -4.594 -0.863 119 1HG2 ILE 15 1HG2 ILE 15 -2.052 -7.797 -1.967 120 2HG2 ILE 15 2HG2 ILE 15 -2.299 -8.167 -0.260 121 3HG2 ILE 15 3HG2 ILE 15 -0.890 -8.806 -1.105 122 1HD1 ILE 15 1HD1 ILE 15 -0.812 -5.288 -3.131 123 2HD1 ILE 15 2HD1 ILE 15 -2.405 -4.593 -2.829 124 3HD1 ILE 15 3HD1 ILE 15 -2.206 -6.344 -2.905 125 H GLY 16 H GLY 16 -0.493 -5.182 2.889 126 1HA GLY 16 2HA GLY 16 1.398 -3.252 2.087 127 2HA GLY 16 1HA GLY 16 0.933 -3.589 3.751 128 H HIS 17 H HIS 17 1.786 -6.315 3.776 129 HA HIS 17 HA HIS 17 4.521 -5.923 4.434 130 1HB HIS 17 2HB HIS 17 2.895 -7.595 5.489 131 2HB HIS 17 1HB HIS 17 3.177 -8.602 4.075 132 HD1 HIS 17 1HD HIS 17 4.003 -10.188 6.218 133 HD2 HIS 17 2HD HIS 17 6.488 -7.077 5.016 134 HE1 HIS 17 1HE HIS 17 6.270 -10.733 7.158 135 H LYS 18 H LYS 18 2.859 -6.995 1.613 136 HA LYS 18 HA LYS 18 5.187 -8.166 0.380 137 1HB LYS 18 2HB LYS 18 3.020 -9.118 -0.115 138 2HB LYS 18 1HB LYS 18 2.423 -7.566 -0.682 139 1HG LYS 18 2HG LYS 18 2.920 -9.070 -2.533 140 2HG LYS 18 1HG LYS 18 3.952 -7.641 -2.570 141 1HD LYS 18 2HD LYS 18 5.276 -9.591 -3.080 142 2HD LYS 18 1HD LYS 18 5.753 -8.965 -1.502 143 1HE LYS 18 2HE LYS 18 4.369 -10.670 -0.415 144 2HE LYS 18 1HE LYS 18 3.904 -11.297 -1.995 145 1HZ LYS 18 1HZ LYS 18 6.650 -11.250 -0.865 146 2HZ LYS 18 2HZ LYS 18 6.255 -11.782 -2.421 147 3HZ LYS 18 3HZ LYS 18 5.674 -12.617 -1.070 148 H TYR 19 H TYR 19 3.481 -5.096 0.266 149 HA TYR 19 HA TYR 19 5.086 -4.178 -1.979 150 1HB TYR 19 2HB TYR 19 2.819 -2.997 -0.407 151 2HB TYR 19 1HB TYR 19 3.792 -1.985 -1.468 152 HD1 TYR 19 1HD TYR 19 2.839 -5.513 -2.121 153 HD2 TYR 19 2HD TYR 19 2.168 -1.424 -3.082 154 HE1 TYR 19 1HE TYR 19 1.463 -6.195 -4.041 155 HE2 TYR 19 2HE TYR 19 0.791 -2.096 -5.003 156 HH TYR 19 HH TYR 19 0.842 -4.879 -6.421 157 HA PRO 20 HA PRO 20 8.327 -2.846 0.829 158 1HB PRO 20 2HB PRO 20 9.775 -1.616 -1.187 159 2HB PRO 20 1HB PRO 20 9.910 -3.317 -0.733 160 1HG PRO 20 2HG PRO 20 8.371 -2.064 -2.966 161 2HG PRO 20 1HG PRO 20 9.289 -3.582 -2.945 162 1HD PRO 20 2HD PRO 20 6.610 -3.556 -2.793 163 2HD PRO 20 1HD PRO 20 7.579 -4.746 -1.899 164 H PHE 21 H PHE 21 7.067 -0.714 -1.726 165 HA PHE 21 HA PHE 21 7.696 1.644 -0.192 166 1HB PHE 21 2HB PHE 21 6.549 2.813 -2.139 167 2HB PHE 21 1HB PHE 21 8.001 1.897 -2.517 168 HD1 PHE 21 1HD PHE 21 4.294 1.398 -2.380 169 HD2 PHE 21 2HD PHE 21 7.962 0.552 -4.366 170 HE1 PHE 21 1HE PHE 21 3.067 0.152 -4.110 171 HE2 PHE 21 2HE PHE 21 6.740 -0.694 -6.099 172 HZ PHE 21 HZ PHE 21 4.289 -0.894 -5.973 173 H CYS 22 H CYS 22 5.383 -0.534 0.276 174 HA CYS 22 HA CYS 22 3.606 1.427 1.487 175 1HB CYS 22 2HB CYS 22 2.708 -0.549 -0.615 176 2HB CYS 22 1HB CYS 22 1.596 0.122 0.571 177 H HIS 23 H HIS 23 5.194 0.062 3.006 178 HA HIS 23 HA HIS 23 4.270 -2.549 3.703 179 1HB HIS 23 2HB HIS 23 6.255 -0.667 4.931 180 2HB HIS 23 1HB HIS 23 5.745 -2.117 5.791 181 HD1 HIS 23 1HD HIS 23 5.624 -4.030 3.324 182 HD2 HIS 23 2HD HIS 23 8.778 -1.468 4.211 183 HE1 HIS 23 1HE HIS 23 7.655 -5.072 2.269 184 H CYS 24 H CYS 24 2.089 -1.288 3.687 185 HA CYS 24 HA CYS 24 1.292 -0.140 6.200 186 1HB CYS 24 2HB CYS 24 0.396 0.487 3.935 187 2HB CYS 24 1HB CYS 24 -0.405 -1.076 3.887 188 H ARG 25 H ARG 25 -0.828 -1.052 7.149 189 HA ARG 25 HA ARG 25 -1.123 -3.916 7.062 190 1HB ARG 25 2HB ARG 25 0.762 -3.701 8.620 191 2HB ARG 25 1HB ARG 25 -0.160 -2.569 9.598 192 1HG ARG 25 2HG ARG 25 -0.139 -4.769 10.615 193 2HG ARG 25 1HG ARG 25 -1.774 -4.331 10.119 194 1HD ARG 25 2HD ARG 25 -1.450 -5.664 8.050 195 2HD ARG 25 1HD ARG 25 0.121 -6.172 8.665 196 HE ARG 25 HE ARG 25 -0.936 -7.690 9.990 197 1HH1 ARG 25 1HH1 ARG 25 -3.308 -5.303 8.980 198 2HH1 ARG 25 2HH1 ARG 25 -4.636 -6.132 9.725 199 1HH2 ARG 25 1HH2 ARG 25 -2.697 -8.777 10.968 200 2HH2 ARG 25 2HH2 ARG 25 -4.289 -8.106 10.856 201 1HN NH2 26 1H ARG 25 -3.198 -0.955 7.540 202 2HN NH2 26 2H ARG 25 -2.510 -0.969 9.125 Start of MODEL 4 1 1H PHE 1 1HT PHE 1 9.098 15.508 -3.264 2 2H PHE 1 2HT PHE 1 9.847 14.491 -2.140 3 3H PHE 1 3HT PHE 1 8.210 14.279 -2.515 4 HA PHE 1 HA PHE 1 9.789 14.179 -4.857 5 1HB PHE 1 2HB PHE 1 10.926 12.022 -4.304 6 2HB PHE 1 1HB PHE 1 11.559 13.391 -3.400 7 HD1 PHE 1 1HD PHE 1 9.193 10.527 -3.106 8 HD2 PHE 1 2HD PHE 1 11.741 13.280 -1.096 9 HE1 PHE 1 1HE PHE 1 8.856 9.297 -1.003 10 HE2 PHE 1 2HE PHE 1 11.409 12.054 1.011 11 HZ PHE 1 HZ PHE 1 9.965 10.060 1.058 12 HA PRO 2 HA PRO 2 6.221 11.873 -6.015 13 1HB PRO 2 2HB PRO 2 7.288 9.931 -7.647 14 2HB PRO 2 1HB PRO 2 6.989 11.598 -8.150 15 1HG PRO 2 2HG PRO 2 9.534 10.314 -7.251 16 2HG PRO 2 1HG PRO 2 9.265 11.476 -8.564 17 1HD PRO 2 2HD PRO 2 10.287 12.230 -6.198 18 2HD PRO 2 1HD PRO 2 9.193 13.283 -7.119 19 H ARG 3 H ARG 3 5.026 10.199 -5.256 20 HA ARG 3 HA ARG 3 6.291 7.782 -4.279 21 1HB ARG 3 2HB ARG 3 6.505 9.247 -2.347 22 2HB ARG 3 1HB ARG 3 4.808 9.686 -2.453 23 1HG ARG 3 2HG ARG 3 5.105 8.136 -0.658 24 2HG ARG 3 1HG ARG 3 4.210 7.341 -1.952 25 1HD ARG 3 2HD ARG 3 6.176 6.160 -2.665 26 2HD ARG 3 1HD ARG 3 7.185 7.068 -1.539 27 HE ARG 3 HE ARG 3 5.630 4.747 -0.962 28 1HH1 ARG 3 1HH1 ARG 3 6.845 7.720 0.437 29 2HH1 ARG 3 2HH1 ARG 3 6.739 7.149 2.067 30 1HH2 ARG 3 1HH2 ARG 3 5.482 3.985 1.179 31 2HH2 ARG 3 2HH2 ARG 3 5.961 5.015 2.494 32 HA PRO 4 HA PRO 4 2.424 6.451 -6.109 33 1HB PRO 4 2HB PRO 4 3.227 3.825 -5.026 34 2HB PRO 4 1HB PRO 4 2.896 4.296 -6.696 35 1HG PRO 4 2HG PRO 4 5.388 3.793 -5.844 36 2HG PRO 4 1HG PRO 4 5.049 5.045 -7.053 37 1HD PRO 4 2HD PRO 4 5.633 5.335 -4.134 38 2HD PRO 4 1HD PRO 4 6.170 6.337 -5.496 39 H ARG 5 H ARG 5 0.517 6.676 -5.131 40 HA ARG 5 HA ARG 5 0.295 6.197 -2.276 41 1HB ARG 5 2HB ARG 5 -1.722 7.317 -4.230 42 2HB ARG 5 1HB ARG 5 -1.905 7.273 -2.482 43 1HG ARG 5 2HG ARG 5 0.174 8.820 -4.017 44 2HG ARG 5 1HG ARG 5 -1.250 9.482 -3.214 45 1HD ARG 5 2HD ARG 5 1.003 8.023 -1.837 46 2HD ARG 5 1HD ARG 5 0.819 9.774 -1.898 47 HE ARG 5 HE ARG 5 -0.507 7.974 -0.141 48 1HH1 ARG 5 1HH1 ARG 5 -0.921 10.995 -1.860 49 2HH1 ARG 5 2HH1 ARG 5 -2.135 11.596 -0.783 50 1HH2 ARG 5 1HH2 ARG 5 -2.107 8.767 1.297 51 2HH2 ARG 5 2HH2 ARG 5 -2.811 10.324 1.022 52 H ILE 6 H ILE 6 0.627 3.919 -3.971 53 HA ILE 6 HA ILE 6 -1.848 2.554 -4.390 54 HB ILE 6 HB ILE 6 0.810 1.233 -3.977 55 1HG1 ILE 6 2HG1 ILE 6 1.166 3.085 -5.551 56 2HG1 ILE 6 1HG1 ILE 6 1.278 1.535 -6.377 57 1HG2 ILE 6 1HG2 ILE 6 -1.351 -0.082 -4.249 58 2HG2 ILE 6 2HG2 ILE 6 -0.014 -0.515 -5.314 59 3HG2 ILE 6 3HG2 ILE 6 -1.344 0.469 -5.924 60 1HD1 ILE 6 1HD1 ILE 6 0.030 2.760 -7.854 61 2HD1 ILE 6 2HD1 ILE 6 -0.811 3.644 -6.581 62 3HD1 ILE 6 3HD1 ILE 6 -1.236 1.966 -6.916 63 H CYS 7 H CYS 7 -0.053 3.316 -1.681 64 HA CYS 7 HA CYS 7 -0.151 1.172 0.028 65 1HB CYS 7 2HB CYS 7 -0.611 4.095 0.639 66 2HB CYS 7 1HB CYS 7 -0.288 2.868 1.849 67 H ASN 8 H ASN 8 -2.721 3.215 -1.051 68 HA ASN 8 HA ASN 8 -4.662 2.660 0.920 69 1HB ASN 8 2HB ASN 8 -6.285 3.511 -0.631 70 2HB ASN 8 1HB ASN 8 -4.823 4.459 -0.814 71 1HD2 ASN 8 1HD2 ASN 8 -7.233 3.482 -2.535 72 2HD2 ASN 8 2HD2 ASN 8 -6.472 3.092 -4.035 73 H LEU 9 H LEU 9 -4.098 1.203 -2.222 74 HA LEU 9 HA LEU 9 -6.000 -0.880 -1.971 75 1HB LEU 9 2HB LEU 9 -5.278 -0.284 -4.154 76 2HB LEU 9 1HB LEU 9 -3.590 -0.482 -3.726 77 HG LEU 9 HG LEU 9 -3.991 -2.931 -3.495 78 1HD1 LEU 9 1HD1 LEU 9 -6.471 -2.765 -5.077 79 2HD1 LEU 9 2HD1 LEU 9 -6.613 -2.332 -3.373 80 3HD1 LEU 9 3HD1 LEU 9 -5.990 -3.917 -3.832 81 1HD2 LEU 9 1HD2 LEU 9 -4.705 -1.825 -6.207 82 2HD2 LEU 9 2HD2 LEU 9 -3.945 -3.377 -5.853 83 3HD2 LEU 9 3HD2 LEU 9 -3.071 -1.877 -5.546 84 H ALA 10 H ALA 10 -2.562 -0.653 -1.386 85 HA ALA 10 HA ALA 10 -1.988 -3.306 -0.794 86 1HB ALA 10 1HB ALA 10 -0.072 -2.098 -0.975 87 2HB ALA 10 2HB ALA 10 -0.215 -2.119 0.783 88 3HB ALA 10 3HB ALA 10 -0.738 -0.702 -0.128 89 H CYS 11 H CYS 11 -2.996 -0.706 1.431 90 HA CYS 11 HA CYS 11 -2.935 -2.313 3.760 91 1HB CYS 11 2HB CYS 11 -4.606 0.154 3.180 92 2HB CYS 11 1HB CYS 11 -4.393 -0.564 4.767 93 H ARG 12 H ARG 12 -5.491 -1.583 1.422 94 HA ARG 12 HA ARG 12 -7.629 -2.714 2.837 95 1HB ARG 12 2HB ARG 12 -7.893 -1.218 0.884 96 2HB ARG 12 1HB ARG 12 -7.309 -2.509 -0.161 97 1HG ARG 12 2HG ARG 12 -9.218 -3.885 0.428 98 2HG ARG 12 1HG ARG 12 -9.788 -2.647 1.545 99 1HD ARG 12 2HD ARG 12 -11.049 -2.474 -0.483 100 2HD ARG 12 1HD ARG 12 -9.975 -1.081 -0.373 101 HE ARG 12 HE ARG 12 -8.656 -3.040 -1.852 102 1HH1 ARG 12 1HH1 ARG 12 -11.508 -1.034 -2.115 103 2HH1 ARG 12 2HH1 ARG 12 -11.483 -0.985 -3.846 104 1HH2 ARG 12 1HH2 ARG 12 -8.613 -2.986 -4.152 105 2HH2 ARG 12 2HH2 ARG 12 -9.831 -2.100 -5.009 106 H ALA 13 H ALA 13 -5.490 -4.154 0.401 107 HA ALA 13 HA ALA 13 -6.778 -6.732 0.735 108 1HB ALA 13 1HB ALA 13 -5.831 -7.331 -1.222 109 2HB ALA 13 2HB ALA 13 -4.288 -6.573 -0.828 110 3HB ALA 13 3HB ALA 13 -5.631 -5.590 -1.413 111 H GLY 14 H GLY 14 -4.694 -5.092 2.533 112 1HA GLY 14 2HA GLY 14 -3.233 -5.642 4.215 113 2HA GLY 14 1HA GLY 14 -3.835 -7.275 4.072 114 H ILE 15 H ILE 15 -2.529 -5.854 1.290 115 HA ILE 15 HA ILE 15 -0.292 -7.713 1.394 116 HB ILE 15 HB ILE 15 0.096 -7.019 -0.986 117 1HG1 ILE 15 2HG1 ILE 15 -2.508 -5.536 -0.556 118 2HG1 ILE 15 1HG1 ILE 15 -0.942 -4.813 -0.903 119 1HG2 ILE 15 1HG2 ILE 15 -2.449 -8.287 -0.060 120 2HG2 ILE 15 2HG2 ILE 15 -1.023 -9.033 -0.780 121 3HG2 ILE 15 3HG2 ILE 15 -2.126 -8.092 -1.784 122 1HD1 ILE 15 1HD1 ILE 15 -2.456 -4.898 -2.851 123 2HD1 ILE 15 2HD1 ILE 15 -2.410 -6.659 -2.769 124 3HD1 ILE 15 3HD1 ILE 15 -0.935 -5.754 -3.107 125 H GLY 16 H GLY 16 -0.569 -5.192 2.950 126 1HA GLY 16 2HA GLY 16 1.218 -3.234 2.005 127 2HA GLY 16 1HA GLY 16 0.840 -3.531 3.697 128 H HIS 17 H HIS 17 1.804 -6.168 3.889 129 HA HIS 17 HA HIS 17 4.545 -5.668 4.359 130 1HB HIS 17 2HB HIS 17 2.940 -8.219 4.337 131 2HB HIS 17 1HB HIS 17 4.662 -8.196 4.698 132 HD1 HIS 17 1HD HIS 17 3.205 -9.259 6.940 133 HD2 HIS 17 2HD HIS 17 3.472 -5.146 6.392 134 HE1 HIS 17 1HE HIS 17 2.750 -8.248 9.196 135 H LYS 18 H LYS 18 2.801 -6.988 1.696 136 HA LYS 18 HA LYS 18 5.024 -8.130 0.323 137 1HB LYS 18 2HB LYS 18 2.809 -8.964 -0.116 138 2HB LYS 18 1HB LYS 18 2.242 -7.364 -0.567 139 1HG LYS 18 2HG LYS 18 3.934 -7.473 -2.463 140 2HG LYS 18 1HG LYS 18 4.067 -9.193 -2.088 141 1HD LYS 18 2HD LYS 18 1.736 -9.533 -2.530 142 2HD LYS 18 1HD LYS 18 1.465 -7.797 -2.694 143 1HE LYS 18 2HE LYS 18 3.058 -7.832 -4.633 144 2HE LYS 18 1HE LYS 18 3.049 -9.593 -4.522 145 1HZ LYS 18 1HZ LYS 18 0.954 -7.775 -5.438 146 2HZ LYS 18 2HZ LYS 18 0.461 -9.171 -4.620 147 3HZ LYS 18 3HZ LYS 18 1.394 -9.301 -6.024 148 H TYR 19 H TYR 19 3.381 -5.003 0.230 149 HA TYR 19 HA TYR 19 5.007 -4.137 -2.022 150 1HB TYR 19 2HB TYR 19 2.780 -2.849 -0.461 151 2HB TYR 19 1HB TYR 19 3.743 -1.930 -1.613 152 HD1 TYR 19 1HD TYR 19 2.107 -1.455 -3.254 153 HD2 TYR 19 2HD TYR 19 2.687 -5.467 -1.971 154 HE1 TYR 19 1HE TYR 19 0.683 -2.247 -5.097 155 HE2 TYR 19 2HE TYR 19 1.270 -6.267 -3.805 156 HH TYR 19 HH TYR 19 -0.344 -4.015 -6.006 157 HA PRO 20 HA PRO 20 8.302 -2.808 0.706 158 1HB PRO 20 2HB PRO 20 9.239 -1.603 -1.840 159 2HB PRO 20 1HB PRO 20 10.088 -2.673 -0.719 160 1HG PRO 20 2HG PRO 20 9.189 -3.585 -3.056 161 2HG PRO 20 1HG PRO 20 9.109 -4.584 -1.592 162 1HD PRO 20 2HD PRO 20 6.936 -3.054 -2.968 163 2HD PRO 20 1HD PRO 20 6.876 -4.653 -2.198 164 H PHE 21 H PHE 21 7.006 -0.641 -1.807 165 HA PHE 21 HA PHE 21 7.723 1.702 -0.317 166 1HB PHE 21 2HB PHE 21 6.437 2.893 -2.144 167 2HB PHE 21 1HB PHE 21 7.818 1.938 -2.666 168 HD1 PHE 21 1HD PHE 21 4.120 1.625 -2.217 169 HD2 PHE 21 2HD PHE 21 7.567 0.533 -4.459 170 HE1 PHE 21 1HE PHE 21 2.692 0.435 -3.826 171 HE2 PHE 21 2HE PHE 21 6.145 -0.658 -6.073 172 HZ PHE 21 HZ PHE 21 3.701 -0.709 -5.758 173 H CYS 22 H CYS 22 5.353 -0.463 0.239 174 HA CYS 22 HA CYS 22 3.786 1.482 1.730 175 1HB CYS 22 2HB CYS 22 2.603 -0.275 -0.428 176 2HB CYS 22 1HB CYS 22 1.636 0.422 0.865 177 H HIS 23 H HIS 23 5.325 -0.019 3.077 178 HA HIS 23 HA HIS 23 4.488 -2.686 3.551 179 1HB HIS 23 2HB HIS 23 6.404 -0.850 4.932 180 2HB HIS 23 1HB HIS 23 5.936 -2.369 5.691 181 HD1 HIS 23 1HD HIS 23 5.908 -4.193 3.203 182 HD2 HIS 23 2HD HIS 23 8.917 -1.457 4.064 183 HE1 HIS 23 1HE HIS 23 7.960 -5.071 2.055 184 H CYS 24 H CYS 24 2.241 -1.580 3.675 185 HA CYS 24 HA CYS 24 1.359 -0.706 6.266 186 1HB CYS 24 2HB CYS 24 0.378 -0.124 3.980 187 2HB CYS 24 1HB CYS 24 -0.326 -1.735 3.991 188 H ARG 25 H ARG 25 -0.929 -2.011 6.673 189 HA ARG 25 HA ARG 25 -0.186 -4.321 8.092 190 1HB ARG 25 2HB ARG 25 -2.961 -3.548 7.166 191 2HB ARG 25 1HB ARG 25 -2.568 -4.640 8.485 192 1HG ARG 25 2HG ARG 25 -1.578 -2.795 9.732 193 2HG ARG 25 1HG ARG 25 -1.946 -1.695 8.402 194 1HD ARG 25 2HD ARG 25 -3.943 -3.229 10.064 195 2HD ARG 25 1HD ARG 25 -3.615 -1.501 10.161 196 HE ARG 25 HE ARG 25 -5.323 -2.816 8.308 197 1HH1 ARG 25 1HH1 ARG 25 -3.161 -0.075 8.624 198 2HH1 ARG 25 2HH1 ARG 25 -3.903 0.825 7.345 199 1HH2 ARG 25 1HH2 ARG 25 -6.313 -1.630 6.624 200 2HH2 ARG 25 2HH2 ARG 25 -5.712 -0.057 6.213 201 1HN NH2 26 1H ARG 25 -0.742 -6.551 7.686 202 2HN NH2 26 2H ARG 25 -1.462 -7.084 6.207 Start of MODEL 5 1 1H PHE 1 1HT PHE 1 -2.340 13.358 7.569 2 2H PHE 1 2HT PHE 1 -0.873 12.580 7.890 3 3H PHE 1 3HT PHE 1 -2.179 11.702 7.268 4 HA PHE 1 HA PHE 1 -1.535 13.910 5.609 5 1HB PHE 1 2HB PHE 1 0.628 12.932 4.796 6 2HB PHE 1 1HB PHE 1 0.719 13.615 6.412 7 HD1 PHE 1 1HD PHE 1 1.545 12.354 8.174 8 HD2 PHE 1 2HD PHE 1 0.337 10.385 4.599 9 HE1 PHE 1 1HE PHE 1 2.505 10.249 9.012 10 HE2 PHE 1 2HE PHE 1 1.289 8.277 5.434 11 HZ PHE 1 HZ PHE 1 2.374 8.206 7.643 12 HA PRO 2 HA PRO 2 -3.656 11.111 2.946 13 1HB PRO 2 2HB PRO 2 -2.747 11.899 0.503 14 2HB PRO 2 1HB PRO 2 -3.915 12.830 1.447 15 1HG PRO 2 2HG PRO 2 -0.965 13.226 1.157 16 2HG PRO 2 1HG PRO 2 -2.261 14.435 1.175 17 1HD PRO 2 2HD PRO 2 -0.707 13.928 3.334 18 2HD PRO 2 1HD PRO 2 -2.404 14.433 3.474 19 H ARG 3 H ARG 3 -3.326 9.054 2.372 20 HA ARG 3 HA ARG 3 -0.598 8.091 2.104 21 1HB ARG 3 2HB ARG 3 -3.168 6.499 2.114 22 2HB ARG 3 1HB ARG 3 -1.538 5.868 2.304 23 1HG ARG 3 2HG ARG 3 -1.341 7.116 4.423 24 2HG ARG 3 1HG ARG 3 -3.016 7.640 4.237 25 1HD ARG 3 2HD ARG 3 -1.982 4.838 4.620 26 2HD ARG 3 1HD ARG 3 -3.034 5.761 5.692 27 HE ARG 3 HE ARG 3 -4.251 5.460 3.156 28 1HH1 ARG 3 1HH1 ARG 3 -3.495 3.652 6.054 29 2HH1 ARG 3 2HH1 ARG 3 -4.775 2.510 5.830 30 1HH2 ARG 3 1HH2 ARG 3 -5.930 3.968 2.843 31 2HH2 ARG 3 2HH2 ARG 3 -6.175 2.691 3.993 32 HA PRO 4 HA PRO 4 -0.527 7.933 -2.315 33 1HB PRO 4 2HB PRO 4 0.755 5.276 -1.909 34 2HB PRO 4 1HB PRO 4 1.315 6.661 -2.852 35 1HG PRO 4 2HG PRO 4 2.428 6.084 -0.506 36 2HG PRO 4 1HG PRO 4 2.137 7.768 -0.983 37 1HD PRO 4 2HD PRO 4 0.625 6.053 0.942 38 2HD PRO 4 1HD PRO 4 0.999 7.787 1.025 39 H ARG 5 H ARG 5 -1.852 7.158 -3.868 40 HA ARG 5 HA ARG 5 -4.136 5.757 -3.305 41 1HB ARG 5 2HB ARG 5 -4.403 5.435 -5.741 42 2HB ARG 5 1HB ARG 5 -3.940 7.075 -5.314 43 1HG ARG 5 2HG ARG 5 -1.641 6.612 -5.969 44 2HG ARG 5 1HG ARG 5 -2.083 4.952 -6.367 45 1HD ARG 5 2HD ARG 5 -3.221 7.423 -7.670 46 2HD ARG 5 1HD ARG 5 -1.958 6.402 -8.355 47 HE ARG 5 HE ARG 5 -4.180 4.799 -7.761 48 1HH1 ARG 5 1HH1 ARG 5 -3.249 7.351 -9.968 49 2HH1 ARG 5 2HH1 ARG 5 -4.328 6.842 -11.223 50 1HH2 ARG 5 1HH2 ARG 5 -5.613 4.116 -9.420 51 2HH2 ARG 5 2HH2 ARG 5 -5.677 4.996 -10.910 52 H ILE 6 H ILE 6 -1.039 4.425 -4.321 53 HA ILE 6 HA ILE 6 -2.040 1.791 -4.744 54 HB ILE 6 HB ILE 6 0.808 2.637 -4.205 55 1HG1 ILE 6 2HG1 ILE 6 -0.611 2.253 -6.852 56 2HG1 ILE 6 1HG1 ILE 6 -0.200 3.811 -6.145 57 1HG2 ILE 6 1HG2 ILE 6 1.469 0.560 -5.195 58 2HG2 ILE 6 2HG2 ILE 6 -0.196 0.177 -5.628 59 3HG2 ILE 6 3HG2 ILE 6 0.287 0.208 -3.934 60 1HD1 ILE 6 1HD1 ILE 6 2.138 3.365 -6.372 61 2HD1 ILE 6 2HD1 ILE 6 1.353 3.053 -7.921 62 3HD1 ILE 6 3HD1 ILE 6 1.818 1.706 -6.881 63 H CYS 7 H CYS 7 -0.405 3.399 -2.085 64 HA CYS 7 HA CYS 7 -0.155 1.166 -0.407 65 1HB CYS 7 2HB CYS 7 -0.397 4.109 0.210 66 2HB CYS 7 1HB CYS 7 -0.058 2.889 1.427 67 H ASN 8 H ASN 8 -2.819 3.257 -1.144 68 HA ASN 8 HA ASN 8 -4.430 2.637 1.105 69 1HB ASN 8 2HB ASN 8 -5.074 3.702 -1.631 70 2HB ASN 8 1HB ASN 8 -6.354 3.309 -0.486 71 1HD2 ASN 8 1HD2 ASN 8 -4.753 5.798 -1.657 72 2HD2 ASN 8 2HD2 ASN 8 -4.690 6.843 -0.286 73 H LEU 9 H LEU 9 -4.315 1.232 -2.164 74 HA LEU 9 HA LEU 9 -6.283 -0.734 -1.558 75 1HB LEU 9 2HB LEU 9 -5.628 -1.790 -3.677 76 2HB LEU 9 1HB LEU 9 -5.955 -0.081 -3.856 77 HG LEU 9 HG LEU 9 -3.304 0.059 -3.569 78 1HD1 LEU 9 1HD1 LEU 9 -2.221 -1.782 -4.752 79 2HD1 LEU 9 2HD1 LEU 9 -3.758 -2.642 -4.829 80 3HD1 LEU 9 3HD1 LEU 9 -2.996 -2.339 -3.267 81 1HD2 LEU 9 1HD2 LEU 9 -3.266 -0.244 -6.153 82 2HD2 LEU 9 2HD2 LEU 9 -4.204 1.067 -5.435 83 3HD2 LEU 9 3HD2 LEU 9 -5.014 -0.405 -5.971 84 H ALA 10 H ALA 10 -2.842 -0.502 -1.271 85 HA ALA 10 HA ALA 10 -2.202 -3.210 -0.908 86 1HB ALA 10 1HB ALA 10 -0.458 -1.771 0.725 87 2HB ALA 10 2HB ALA 10 -0.879 -0.668 -0.584 88 3HB ALA 10 3HB ALA 10 -0.196 -2.252 -0.951 89 H CYS 11 H CYS 11 -3.044 -0.680 1.478 90 HA CYS 11 HA CYS 11 -2.851 -2.367 3.743 91 1HB CYS 11 2HB CYS 11 -4.749 -0.025 3.474 92 2HB CYS 11 1HB CYS 11 -4.090 -0.692 4.953 93 H ARG 12 H ARG 12 -5.529 -1.542 1.597 94 HA ARG 12 HA ARG 12 -7.601 -2.772 2.993 95 1HB ARG 12 2HB ARG 12 -7.983 -1.221 1.156 96 2HB ARG 12 1HB ARG 12 -7.293 -2.368 0.019 97 1HG ARG 12 2HG ARG 12 -9.700 -2.382 -0.144 98 2HG ARG 12 1HG ARG 12 -9.134 -3.926 0.492 99 1HD ARG 12 2HD ARG 12 -10.047 -1.702 2.295 100 2HD ARG 12 1HD ARG 12 -11.180 -2.857 1.600 101 HE ARG 12 HE ARG 12 -9.141 -4.327 2.797 102 1HH1 ARG 12 1HH1 ARG 12 -11.661 -2.101 3.778 103 2HH1 ARG 12 2HH1 ARG 12 -11.839 -2.794 5.355 104 1HH2 ARG 12 1HH2 ARG 12 -9.366 -5.245 4.868 105 2HH2 ARG 12 2HH2 ARG 12 -10.527 -4.594 5.979 106 H ALA 13 H ALA 13 -5.545 -4.129 0.427 107 HA ALA 13 HA ALA 13 -6.816 -6.717 0.768 108 1HB ALA 13 1HB ALA 13 -4.725 -7.102 -0.977 109 2HB ALA 13 2HB ALA 13 -5.206 -5.432 -1.279 110 3HB ALA 13 3HB ALA 13 -6.391 -6.730 -1.419 111 H GLY 14 H GLY 14 -4.625 -5.168 2.506 112 1HA GLY 14 2HA GLY 14 -3.107 -5.836 4.098 113 2HA GLY 14 1HA GLY 14 -3.658 -7.468 3.813 114 H ILE 15 H ILE 15 -2.409 -5.616 1.219 115 HA ILE 15 HA ILE 15 -0.193 -7.478 0.948 116 HB ILE 15 HB ILE 15 -0.751 -5.196 -0.932 117 1HG1 ILE 15 2HG1 ILE 15 -2.873 -6.443 -0.594 118 2HG1 ILE 15 1HG1 ILE 15 -2.242 -6.618 -2.227 119 1HG2 ILE 15 1HG2 ILE 15 0.928 -7.581 -0.932 120 2HG2 ILE 15 2HG2 ILE 15 1.071 -6.090 -1.865 121 3HG2 ILE 15 3HG2 ILE 15 -0.009 -7.373 -2.413 122 1HD1 ILE 15 1HD1 ILE 15 -2.938 -8.636 -0.367 123 2HD1 ILE 15 2HD1 ILE 15 -1.204 -8.742 -0.670 124 3HD1 ILE 15 3HD1 ILE 15 -2.340 -8.815 -2.016 125 H GLY 16 H GLY 16 -0.526 -5.213 2.929 126 1HA GLY 16 2HA GLY 16 1.402 -3.214 2.424 127 2HA GLY 16 1HA GLY 16 0.827 -3.698 4.013 128 H HIS 17 H HIS 17 1.713 -6.502 3.458 129 HA HIS 17 HA HIS 17 4.417 -6.147 4.414 130 1HB HIS 17 2HB HIS 17 2.686 -7.823 5.328 131 2HB HIS 17 1HB HIS 17 3.059 -8.789 3.908 132 HD1 HIS 17 1HD HIS 17 6.029 -8.826 3.763 133 HD2 HIS 17 2HD HIS 17 4.007 -8.913 7.397 134 HE1 HIS 17 1HE HIS 17 7.628 -9.868 5.402 135 H LYS 18 H LYS 18 2.845 -6.939 1.458 136 HA LYS 18 HA LYS 18 5.239 -8.146 0.333 137 1HB LYS 18 2HB LYS 18 3.095 -9.143 -0.231 138 2HB LYS 18 1HB LYS 18 2.524 -7.613 -0.881 139 1HG LYS 18 2HG LYS 18 3.159 -9.162 -2.651 140 2HG LYS 18 1HG LYS 18 4.181 -7.725 -2.657 141 1HD LYS 18 2HD LYS 18 5.898 -9.006 -1.398 142 2HD LYS 18 1HD LYS 18 4.886 -10.444 -1.556 143 1HE LYS 18 2HE LYS 18 5.054 -10.336 -3.969 144 2HE LYS 18 1HE LYS 18 5.972 -8.834 -3.863 145 1HZ LYS 18 1HZ LYS 18 7.269 -10.727 -2.283 146 2HZ LYS 18 2HZ LYS 18 7.809 -10.035 -3.728 147 3HZ LYS 18 3HZ LYS 18 6.923 -11.474 -3.761 148 H TYR 19 H TYR 19 3.506 -5.118 0.248 149 HA TYR 19 HA TYR 19 5.123 -4.119 -1.959 150 1HB TYR 19 2HB TYR 19 2.822 -3.003 -0.378 151 2HB TYR 19 1HB TYR 19 3.781 -1.971 -1.433 152 HD1 TYR 19 1HD TYR 19 1.454 -1.610 -2.466 153 HD2 TYR 19 2HD TYR 19 3.553 -5.303 -2.688 154 HE1 TYR 19 1HE TYR 19 0.078 -2.269 -4.391 155 HE2 TYR 19 2HE TYR 19 2.180 -5.974 -4.612 156 HH TYR 19 HH TYR 19 0.711 -4.268 -6.508 157 HA PRO 20 HA PRO 20 8.194 -2.796 1.085 158 1HB PRO 20 2HB PRO 20 9.486 -1.750 -1.362 159 2HB PRO 20 1HB PRO 20 10.128 -2.840 -0.131 160 1HG PRO 20 2HG PRO 20 9.465 -3.735 -2.562 161 2HG PRO 20 1HG PRO 20 9.188 -4.715 -1.109 162 1HD PRO 20 2HD PRO 20 7.236 -3.108 -2.712 163 2HD PRO 20 1HD PRO 20 7.036 -4.707 -1.964 164 H PHE 21 H PHE 21 7.085 -0.858 -1.656 165 HA PHE 21 HA PHE 21 7.712 1.636 -0.384 166 1HB PHE 21 2HB PHE 21 6.416 2.574 -2.387 167 2HB PHE 21 1HB PHE 21 7.900 1.694 -2.724 168 HD1 PHE 21 1HD PHE 21 7.874 0.144 -4.405 169 HD2 PHE 21 2HD PHE 21 4.227 1.061 -2.416 170 HE1 PHE 21 1HE PHE 21 6.659 -1.319 -5.965 171 HE2 PHE 21 2HE PHE 21 3.007 -0.403 -3.968 172 HZ PHE 21 HZ PHE 21 4.223 -1.595 -5.746 173 H CYS 22 H CYS 22 5.317 -0.548 0.160 174 HA CYS 22 HA CYS 22 3.640 1.495 1.402 175 1HB CYS 22 2HB CYS 22 2.623 -0.600 -0.528 176 2HB CYS 22 1HB CYS 22 1.580 0.219 0.627 177 H HIS 23 H HIS 23 5.282 0.243 2.883 178 HA HIS 23 HA HIS 23 4.531 -2.346 3.786 179 1HB HIS 23 2HB HIS 23 6.834 -1.265 3.963 180 2HB HIS 23 1HB HIS 23 6.193 -0.353 5.327 181 HD1 HIS 23 1HD HIS 23 5.038 -2.085 7.227 182 HD2 HIS 23 2HD HIS 23 8.038 -3.543 4.747 183 HE1 HIS 23 1HE HIS 23 5.940 -4.125 8.390 184 H CYS 24 H CYS 24 2.261 -1.278 3.797 185 HA CYS 24 HA CYS 24 1.421 0.143 6.116 186 1HB CYS 24 2HB CYS 24 0.319 0.004 3.804 187 2HB CYS 24 1HB CYS 24 -0.321 -1.545 4.337 188 H ARG 25 H ARG 25 -0.679 -0.973 7.156 189 HA ARG 25 HA ARG 25 -0.247 -3.726 7.914 190 1HB ARG 25 2HB ARG 25 -0.169 -3.161 10.368 191 2HB ARG 25 1HB ARG 25 1.287 -2.752 9.470 192 1HG ARG 25 2HG ARG 25 0.703 -0.435 9.444 193 2HG ARG 25 1HG ARG 25 -0.885 -0.777 10.130 194 1HD ARG 25 2HD ARG 25 1.744 -1.295 11.512 195 2HD ARG 25 1HD ARG 25 0.726 0.118 11.782 196 HE ARG 25 HE ARG 25 0.414 -2.435 12.950 197 1HH1 ARG 25 1HH1 ARG 25 -1.485 0.203 11.636 198 2HH1 ARG 25 2HH1 ARG 25 -2.886 -0.158 12.588 199 1HH2 ARG 25 1HH2 ARG 25 -1.436 -2.910 14.215 200 2HH2 ARG 25 2HH2 ARG 25 -2.856 -1.930 14.059 201 1HN NH2 26 1H ARG 25 -3.629 -3.826 8.607 202 2HN NH2 26 2H ARG 25 -2.128 -4.666 8.468 Start of MODEL 6 1 1H PHE 1 1HT PHE 1 8.509 12.117 2.031 2 2H PHE 1 2HT PHE 1 9.487 13.132 1.097 3 3H PHE 1 3HT PHE 1 10.168 11.810 1.902 4 HA PHE 1 HA PHE 1 9.429 11.802 -0.676 5 1HB PHE 1 2HB PHE 1 10.903 10.204 0.449 6 2HB PHE 1 1HB PHE 1 9.537 9.523 1.323 7 HD1 PHE 1 1HD PHE 1 8.700 7.543 0.557 8 HD2 PHE 1 2HD PHE 1 10.552 10.187 -2.216 9 HE1 PHE 1 1HE PHE 1 8.384 5.883 -1.230 10 HE2 PHE 1 2HE PHE 1 10.236 8.533 -4.009 11 HZ PHE 1 HZ PHE 1 9.149 6.377 -3.517 12 HA PRO 2 HA PRO 2 4.958 11.649 -0.620 13 1HB PRO 2 2HB PRO 2 4.643 11.103 -3.285 14 2HB PRO 2 1HB PRO 2 4.951 12.719 -2.643 15 1HG PRO 2 2HG PRO 2 6.859 10.771 -3.868 16 2HG PRO 2 1HG PRO 2 6.754 12.527 -4.088 17 1HD PRO 2 2HD PRO 2 8.595 11.391 -2.478 18 2HD PRO 2 1HD PRO 2 7.866 12.968 -2.114 19 H ARG 3 H ARG 3 3.599 10.011 -0.194 20 HA ARG 3 HA ARG 3 4.530 7.301 -0.628 21 1HB ARG 3 2HB ARG 3 2.117 8.339 0.869 22 2HB ARG 3 1HB ARG 3 2.631 6.658 0.813 23 1HG ARG 3 2HG ARG 3 4.143 8.964 2.024 24 2HG ARG 3 1HG ARG 3 3.333 7.656 2.887 25 1HD ARG 3 2HD ARG 3 5.721 7.407 1.060 26 2HD ARG 3 1HD ARG 3 5.721 7.249 2.815 27 HE ARG 3 HE ARG 3 5.116 5.224 0.930 28 1HH1 ARG 3 1HH1 ARG 3 4.178 6.388 4.098 29 2HH1 ARG 3 2HH1 ARG 3 3.568 4.855 4.622 30 1HH2 ARG 3 1HH2 ARG 3 4.321 3.209 1.603 31 2HH2 ARG 3 2HH2 ARG 3 3.646 3.039 3.196 32 HA PRO 4 HA PRO 4 2.204 6.751 -4.343 33 1HB PRO 4 2HB PRO 4 2.232 3.897 -3.556 34 2HB PRO 4 1HB PRO 4 2.833 4.665 -5.028 35 1HG PRO 4 2HG PRO 4 4.506 3.751 -3.148 36 2HG PRO 4 1HG PRO 4 4.859 5.225 -4.070 37 1HD PRO 4 2HD PRO 4 3.859 4.937 -1.270 38 2HD PRO 4 1HD PRO 4 5.000 6.113 -1.949 39 H ARG 5 H ARG 5 0.091 6.691 -4.827 40 HA ARG 5 HA ARG 5 -1.884 6.548 -2.836 41 1HB ARG 5 2HB ARG 5 -3.510 6.595 -4.699 42 2HB ARG 5 1HB ARG 5 -2.259 7.818 -4.866 43 1HG ARG 5 2HG ARG 5 -1.128 6.496 -6.536 44 2HG ARG 5 1HG ARG 5 -2.274 5.174 -6.308 45 1HD ARG 5 2HD ARG 5 -4.095 6.634 -7.067 46 2HD ARG 5 1HD ARG 5 -2.938 7.943 -7.311 47 HE ARG 5 HE ARG 5 -3.431 5.715 -9.046 48 1HH1 ARG 5 1HH1 ARG 5 -1.067 8.123 -8.104 49 2HH1 ARG 5 2HH1 ARG 5 -0.142 7.973 -9.560 50 1HH2 ARG 5 1HH2 ARG 5 -2.210 5.513 -10.973 51 2HH2 ARG 5 2HH2 ARG 5 -0.794 6.486 -11.195 52 H ILE 6 H ILE 6 -0.328 4.121 -4.644 53 HA ILE 6 HA ILE 6 -2.229 2.075 -4.758 54 HB ILE 6 HB ILE 6 0.726 1.728 -4.312 55 1HG1 ILE 6 2HG1 ILE 6 0.330 3.292 -6.174 56 2HG1 ILE 6 1HG1 ILE 6 0.993 1.767 -6.750 57 1HG2 ILE 6 1HG2 ILE 6 -0.754 -0.094 -6.088 58 2HG2 ILE 6 2HG2 ILE 6 -1.167 -0.190 -4.375 59 3HG2 ILE 6 3HG2 ILE 6 0.500 -0.438 -4.895 60 1HD1 ILE 6 1HD1 ILE 6 -0.922 2.858 -8.059 61 2HD1 ILE 6 2HD1 ILE 6 -1.957 2.259 -6.762 62 3HD1 ILE 6 3HD1 ILE 6 -1.009 1.128 -7.729 63 H CYS 7 H CYS 7 -0.224 3.248 -2.158 64 HA CYS 7 HA CYS 7 -0.207 1.137 -0.376 65 1HB CYS 7 2HB CYS 7 -0.436 4.104 0.142 66 2HB CYS 7 1HB CYS 7 -0.155 2.918 1.407 67 H ASN 8 H ASN 8 -2.788 3.279 -1.237 68 HA ASN 8 HA ASN 8 -4.556 2.869 0.906 69 1HB ASN 8 2HB ASN 8 -4.718 3.915 -1.807 70 2HB ASN 8 1HB ASN 8 -6.180 3.050 -1.349 71 1HD2 ASN 8 1HD2 ASN 8 -4.666 5.969 -1.313 72 2HD2 ASN 8 2HD2 ASN 8 -5.570 6.745 -0.062 73 H LEU 9 H LEU 9 -4.272 1.167 -2.175 74 HA LEU 9 HA LEU 9 -6.236 -0.805 -1.593 75 1HB LEU 9 2HB LEU 9 -4.021 -1.344 -3.509 76 2HB LEU 9 1HB LEU 9 -5.735 -1.682 -3.667 77 HG LEU 9 HG LEU 9 -4.528 1.074 -3.849 78 1HD1 LEU 9 1HD1 LEU 9 -4.184 0.813 -6.046 79 2HD1 LEU 9 2HD1 LEU 9 -5.662 -0.123 -6.267 80 3HD1 LEU 9 3HD1 LEU 9 -4.195 -0.914 -5.690 81 1HD2 LEU 9 1HD2 LEU 9 -6.874 1.031 -3.146 82 2HD2 LEU 9 2HD2 LEU 9 -7.279 0.047 -4.553 83 3HD2 LEU 9 3HD2 LEU 9 -6.701 1.699 -4.770 84 H ALA 10 H ALA 10 -2.780 -0.568 -1.339 85 HA ALA 10 HA ALA 10 -2.083 -3.186 -0.791 86 1HB ALA 10 1HB ALA 10 -0.879 -0.576 0.030 87 2HB ALA 10 2HB ALA 10 -0.298 -1.755 -1.147 88 3HB ALA 10 3HB ALA 10 -0.190 -2.104 0.579 89 H CYS 11 H CYS 11 -3.074 -0.677 1.553 90 HA CYS 11 HA CYS 11 -2.781 -2.364 3.816 91 1HB CYS 11 2HB CYS 11 -4.691 -0.029 3.579 92 2HB CYS 11 1HB CYS 11 -4.035 -0.709 5.056 93 H ARG 12 H ARG 12 -5.570 -1.528 1.807 94 HA ARG 12 HA ARG 12 -7.522 -2.886 3.281 95 1HB ARG 12 2HB ARG 12 -7.499 -2.339 0.312 96 2HB ARG 12 1HB ARG 12 -8.917 -2.684 1.296 97 1HG ARG 12 2HG ARG 12 -8.661 -0.632 2.500 98 2HG ARG 12 1HG ARG 12 -7.114 -0.313 1.717 99 1HD ARG 12 2HD ARG 12 -8.428 -0.363 -0.478 100 2HD ARG 12 1HD ARG 12 -9.871 -0.240 0.529 101 HE ARG 12 HE ARG 12 -8.030 1.763 1.268 102 1HH1 ARG 12 1HH1 ARG 12 -10.221 0.932 -1.329 103 2HH1 ARG 12 2HH1 ARG 12 -10.445 2.572 -1.841 104 1HH2 ARG 12 1HH2 ARG 12 -8.305 3.933 0.594 105 2HH2 ARG 12 2HH2 ARG 12 -9.362 4.283 -0.737 106 H ALA 13 H ALA 13 -5.550 -3.988 0.547 107 HA ALA 13 HA ALA 13 -6.765 -6.617 0.649 108 1HB ALA 13 1HB ALA 13 -4.540 -5.513 -1.054 109 2HB ALA 13 2HB ALA 13 -6.220 -5.756 -1.527 110 3HB ALA 13 3HB ALA 13 -5.188 -7.147 -1.196 111 H GLY 14 H GLY 14 -4.633 -5.138 2.531 112 1HA GLY 14 2HA GLY 14 -3.086 -5.825 4.080 113 2HA GLY 14 1HA GLY 14 -3.694 -7.440 3.812 114 H ILE 15 H ILE 15 -2.485 -5.791 1.099 115 HA ILE 15 HA ILE 15 -0.249 -7.654 1.000 116 HB ILE 15 HB ILE 15 0.103 -6.806 -1.320 117 1HG1 ILE 15 2HG1 ILE 15 -2.461 -5.292 -0.780 118 2HG1 ILE 15 1HG1 ILE 15 -0.874 -4.573 -1.031 119 1HG2 ILE 15 1HG2 ILE 15 -2.223 -7.708 -2.128 120 2HG2 ILE 15 2HG2 ILE 15 -2.423 -8.099 -0.419 121 3HG2 ILE 15 3HG2 ILE 15 -1.070 -8.774 -1.327 122 1HD1 ILE 15 1HD1 ILE 15 -1.017 -5.900 -3.301 123 2HD1 ILE 15 2HD1 ILE 15 -1.764 -4.316 -3.107 124 3HD1 ILE 15 3HD1 ILE 15 -2.747 -5.774 -2.990 125 H GLY 16 H GLY 16 -0.608 -5.151 2.643 126 1HA GLY 16 2HA GLY 16 1.322 -3.243 1.849 127 2HA GLY 16 1HA GLY 16 0.743 -3.492 3.492 128 H HIS 17 H HIS 17 1.550 -6.258 3.595 129 HA HIS 17 HA HIS 17 4.185 -5.913 4.554 130 1HB HIS 17 2HB HIS 17 2.776 -8.511 3.921 131 2HB HIS 17 1HB HIS 17 4.186 -8.319 4.953 132 HD1 HIS 17 1HD HIS 17 3.566 -6.470 7.058 133 HD2 HIS 17 2HD HIS 17 0.546 -8.782 5.382 134 HE1 HIS 17 1HE HIS 17 1.726 -6.519 8.769 135 H LYS 18 H LYS 18 2.856 -7.156 1.591 136 HA LYS 18 HA LYS 18 5.354 -8.128 0.585 137 1HB LYS 18 2HB LYS 18 3.176 -9.138 -0.018 138 2HB LYS 18 1HB LYS 18 2.752 -7.664 -0.877 139 1HG LYS 18 2HG LYS 18 4.639 -8.017 -2.400 140 2HG LYS 18 1HG LYS 18 5.040 -9.505 -1.544 141 1HD LYS 18 2HD LYS 18 3.791 -10.022 -3.556 142 2HD LYS 18 1HD LYS 18 2.822 -10.411 -2.133 143 1HE LYS 18 2HE LYS 18 1.546 -8.388 -2.387 144 2HE LYS 18 1HE LYS 18 2.589 -7.847 -3.699 145 1HZ LYS 18 1HZ LYS 18 1.833 -10.041 -4.804 146 2HZ LYS 18 2HZ LYS 18 0.792 -8.705 -4.816 147 3HZ LYS 18 3HZ LYS 18 0.544 -9.961 -3.709 148 H TYR 19 H TYR 19 3.535 -5.139 0.298 149 HA TYR 19 HA TYR 19 5.226 -4.215 -1.884 150 1HB TYR 19 2HB TYR 19 2.875 -3.028 -0.435 151 2HB TYR 19 1HB TYR 19 3.858 -2.056 -1.523 152 HD1 TYR 19 1HD TYR 19 2.203 -1.613 -3.169 153 HD2 TYR 19 2HD TYR 19 3.047 -5.628 -2.047 154 HE1 TYR 19 1HE TYR 19 0.895 -2.422 -5.089 155 HE2 TYR 19 2HE TYR 19 1.743 -6.444 -3.958 156 HH TYR 19 HH TYR 19 0.213 -4.201 -6.241 157 HA PRO 20 HA PRO 20 8.267 -2.731 1.090 158 1HB PRO 20 2HB PRO 20 9.826 -1.539 -0.864 159 2HB PRO 20 1HB PRO 20 9.962 -3.221 -0.343 160 1HG PRO 20 2HG PRO 20 8.559 -2.079 -2.719 161 2HG PRO 20 1HG PRO 20 9.502 -3.576 -2.581 162 1HD PRO 20 2HD PRO 20 6.817 -3.597 -2.617 163 2HD PRO 20 1HD PRO 20 7.744 -4.740 -1.621 164 H PHE 21 H PHE 21 7.182 -0.707 -1.636 165 HA PHE 21 HA PHE 21 7.693 1.727 -0.224 166 1HB PHE 21 2HB PHE 21 6.443 2.755 -2.195 167 2HB PHE 21 1HB PHE 21 7.924 1.884 -2.559 168 HD1 PHE 21 1HD PHE 21 4.238 1.316 -2.374 169 HD2 PHE 21 2HD PHE 21 7.922 0.371 -4.280 170 HE1 PHE 21 1HE PHE 21 3.031 -0.062 -4.014 171 HE2 PHE 21 2HE PHE 21 6.721 -1.009 -5.924 172 HZ PHE 21 HZ PHE 21 4.272 -1.227 -5.794 173 H CYS 22 H CYS 22 5.280 -0.521 0.079 174 HA CYS 22 HA CYS 22 3.562 1.431 1.426 175 1HB CYS 22 2HB CYS 22 2.630 -0.581 -0.632 176 2HB CYS 22 1HB CYS 22 1.544 0.172 0.529 177 H HIS 23 H HIS 23 5.286 0.030 2.777 178 HA HIS 23 HA HIS 23 4.520 -2.594 3.513 179 1HB HIS 23 2HB HIS 23 6.799 -1.275 3.770 180 2HB HIS 23 1HB HIS 23 6.136 -0.895 5.357 181 HD1 HIS 23 1HD HIS 23 6.316 -4.106 3.307 182 HD2 HIS 23 2HD HIS 23 7.117 -2.674 7.129 183 HE1 HIS 23 1HE HIS 23 7.171 -6.084 4.599 184 H CYS 24 H CYS 24 2.263 -1.450 3.639 185 HA CYS 24 HA CYS 24 1.511 -0.354 6.179 186 1HB CYS 24 2HB CYS 24 0.495 0.102 3.885 187 2HB CYS 24 1HB CYS 24 -0.286 -1.465 4.034 188 H ARG 25 H ARG 25 -0.599 -1.395 7.126 189 HA ARG 25 HA ARG 25 0.184 -3.924 8.217 190 1HB ARG 25 2HB ARG 25 -1.013 -2.188 9.532 191 2HB ARG 25 1HB ARG 25 -2.434 -2.439 8.528 192 1HG ARG 25 2HG ARG 25 -2.597 -4.742 9.315 193 2HG ARG 25 1HG ARG 25 -1.153 -4.508 10.305 194 1HD ARG 25 2HD ARG 25 -3.748 -2.989 10.585 195 2HD ARG 25 1HD ARG 25 -3.217 -4.312 11.622 196 HE ARG 25 HE ARG 25 -2.426 -1.581 11.783 197 1HH1 ARG 25 1HH1 ARG 25 -1.318 -4.852 12.375 198 2HH1 ARG 25 2HH1 ARG 25 -0.107 -4.374 13.519 199 1HH2 ARG 25 1HH2 ARG 25 -0.836 -0.945 13.299 200 2HH2 ARG 25 2HH2 ARG 25 0.165 -2.143 14.048 201 1HN NH2 26 1H ARG 25 -3.095 -4.379 5.804 202 2HN NH2 26 2H ARG 25 -2.254 -2.871 5.870 Start of MODEL 7 1 1H PHE 1 1HT PHE 1 0.958 12.302 6.089 2 2H PHE 1 2HT PHE 1 0.155 12.215 4.603 3 3H PHE 1 3HT PHE 1 0.863 13.669 5.096 4 HA PHE 1 HA PHE 1 2.905 13.079 4.447 5 1HB PHE 1 2HB PHE 1 3.053 11.403 6.232 6 2HB PHE 1 1HB PHE 1 2.126 10.263 5.265 7 HD1 PHE 1 1HD PHE 1 3.346 8.569 4.348 8 HD2 PHE 1 2HD PHE 1 5.171 12.386 4.797 9 HE1 PHE 1 1HE PHE 1 5.431 7.679 3.394 10 HE2 PHE 1 2HE PHE 1 7.259 11.504 3.839 11 HZ PHE 1 HZ PHE 1 7.390 9.148 3.137 12 HA PRO 2 HA PRO 2 1.429 12.097 0.335 13 1HB PRO 2 2HB PRO 2 3.635 12.875 -1.021 14 2HB PRO 2 1HB PRO 2 2.494 14.035 -0.327 15 1HG PRO 2 2HG PRO 2 5.137 13.110 0.725 16 2HG PRO 2 1HG PRO 2 4.451 14.744 0.703 17 1HD PRO 2 2HD PRO 2 4.440 13.137 2.909 18 2HD PRO 2 1HD PRO 2 3.217 14.385 2.602 19 H ARG 3 H ARG 3 1.486 10.238 -0.791 20 HA ARG 3 HA ARG 3 3.824 8.770 -1.361 21 1HB ARG 3 2HB ARG 3 3.462 6.784 -0.013 22 2HB ARG 3 1HB ARG 3 3.648 8.182 1.032 23 1HG ARG 3 2HG ARG 3 1.180 8.268 1.267 24 2HG ARG 3 1HG ARG 3 1.083 6.773 0.331 25 1HD ARG 3 2HD ARG 3 2.428 7.188 2.996 26 2HD ARG 3 1HD ARG 3 1.010 6.196 2.653 27 HE ARG 3 HE ARG 3 3.042 5.204 1.067 28 1HH1 ARG 3 1HH1 ARG 3 2.432 5.590 4.488 29 2HH1 ARG 3 2HH1 ARG 3 3.421 4.249 4.952 30 1HH2 ARG 3 1HH2 ARG 3 4.355 3.427 1.657 31 2HH2 ARG 3 2HH2 ARG 3 4.521 3.015 3.334 32 HA PRO 4 HA PRO 4 1.487 7.054 -4.636 33 1HB PRO 4 2HB PRO 4 1.828 4.293 -4.150 34 2HB PRO 4 1HB PRO 4 2.821 5.321 -5.184 35 1HG PRO 4 2HG PRO 4 3.279 4.446 -2.379 36 2HG PRO 4 1HG PRO 4 4.455 4.756 -3.670 37 1HD PRO 4 2HD PRO 4 4.124 6.488 -1.665 38 2HD PRO 4 1HD PRO 4 4.412 7.056 -3.324 39 H ARG 5 H ARG 5 -0.567 6.678 -5.007 40 HA ARG 5 HA ARG 5 -2.502 6.393 -3.019 41 1HB ARG 5 2HB ARG 5 -2.743 7.286 -5.401 42 2HB ARG 5 1HB ARG 5 -2.864 5.612 -5.912 43 1HG ARG 5 2HG ARG 5 -5.070 6.169 -5.751 44 2HG ARG 5 1HG ARG 5 -4.788 5.529 -4.132 45 1HD ARG 5 2HD ARG 5 -4.413 8.445 -4.692 46 2HD ARG 5 1HD ARG 5 -6.029 7.796 -4.430 47 HE ARG 5 HE ARG 5 -4.638 6.864 -2.302 48 1HH1 ARG 5 1HH1 ARG 5 -5.034 10.061 -3.676 49 2HH1 ARG 5 2HH1 ARG 5 -4.973 10.867 -2.146 50 1HH2 ARG 5 1HH2 ARG 5 -4.584 7.910 -0.287 51 2HH2 ARG 5 2HH2 ARG 5 -4.712 9.638 -0.206 52 H ILE 6 H ILE 6 -0.714 4.055 -4.818 53 HA ILE 6 HA ILE 6 -2.257 1.771 -4.683 54 HB ILE 6 HB ILE 6 0.730 1.868 -4.324 55 1HG1 ILE 6 2HG1 ILE 6 -0.845 1.840 -6.910 56 2HG1 ILE 6 1HG1 ILE 6 -0.028 3.253 -6.249 57 1HG2 ILE 6 1HG2 ILE 6 -0.808 -0.303 -4.154 58 2HG2 ILE 6 2HG2 ILE 6 0.805 -0.338 -4.867 59 3HG2 ILE 6 3HG2 ILE 6 -0.616 -0.244 -5.906 60 1HD1 ILE 6 1HD1 ILE 6 1.919 2.625 -7.105 61 2HD1 ILE 6 2HD1 ILE 6 1.018 1.416 -8.023 62 3HD1 ILE 6 3HD1 ILE 6 1.754 0.985 -6.478 63 H CYS 7 H CYS 7 -0.228 3.211 -2.204 64 HA CYS 7 HA CYS 7 -0.070 1.119 -0.388 65 1HB CYS 7 2HB CYS 7 -0.308 4.090 0.096 66 2HB CYS 7 1HB CYS 7 0.088 2.925 1.347 67 H ASN 8 H ASN 8 -2.727 3.204 -1.150 68 HA ASN 8 HA ASN 8 -4.294 2.672 1.157 69 1HB ASN 8 2HB ASN 8 -5.017 3.661 -1.596 70 2HB ASN 8 1HB ASN 8 -6.206 3.474 -0.310 71 1HD2 ASN 8 1HD2 ASN 8 -3.795 4.189 1.528 72 2HD2 ASN 8 2HD2 ASN 8 -3.802 5.915 1.495 73 H LEU 9 H LEU 9 -4.275 1.226 -2.096 74 HA LEU 9 HA LEU 9 -6.291 -0.677 -1.408 75 1HB LEU 9 2HB LEU 9 -5.790 -1.746 -3.547 76 2HB LEU 9 1HB LEU 9 -6.023 -0.020 -3.728 77 HG LEU 9 HG LEU 9 -3.363 -0.025 -3.558 78 1HD1 LEU 9 1HD1 LEU 9 -2.338 -1.915 -4.536 79 2HD1 LEU 9 2HD1 LEU 9 -3.893 -2.649 -4.929 80 3HD1 LEU 9 3HD1 LEU 9 -3.373 -2.532 -3.247 81 1HD2 LEU 9 1HD2 LEU 9 -4.889 0.788 -5.396 82 2HD2 LEU 9 2HD2 LEU 9 -4.733 -0.815 -6.114 83 3HD2 LEU 9 3HD2 LEU 9 -3.307 0.202 -5.907 84 H ALA 10 H ALA 10 -2.848 -0.500 -1.234 85 HA ALA 10 HA ALA 10 -2.214 -3.213 -0.905 86 1HB ALA 10 1HB ALA 10 -0.236 -2.261 0.432 87 2HB ALA 10 2HB ALA 10 -0.887 -0.680 0.004 88 3HB ALA 10 3HB ALA 10 -0.389 -1.800 -1.263 89 H CYS 11 H CYS 11 -3.044 -0.698 1.480 90 HA CYS 11 HA CYS 11 -2.834 -2.377 3.754 91 1HB CYS 11 2HB CYS 11 -4.694 -0.006 3.438 92 2HB CYS 11 1HB CYS 11 -4.145 -0.706 4.948 93 H ARG 12 H ARG 12 -5.519 -1.577 1.604 94 HA ARG 12 HA ARG 12 -7.580 -2.825 3.007 95 1HB ARG 12 2HB ARG 12 -7.935 -1.262 1.143 96 2HB ARG 12 1HB ARG 12 -7.315 -2.465 0.021 97 1HG ARG 12 2HG ARG 12 -9.742 -2.390 -0.030 98 2HG ARG 12 1HG ARG 12 -9.172 -3.949 0.570 99 1HD ARG 12 2HD ARG 12 -11.040 -3.178 1.907 100 2HD ARG 12 1HD ARG 12 -9.566 -3.188 2.874 101 HE ARG 12 HE ARG 12 -9.958 -0.635 1.728 102 1HH1 ARG 12 1HH1 ARG 12 -11.203 -2.725 4.236 103 2HH1 ARG 12 2HH1 ARG 12 -11.787 -1.424 5.220 104 1HH2 ARG 12 1HH2 ARG 12 -10.729 1.100 3.018 105 2HH2 ARG 12 2HH2 ARG 12 -11.517 0.761 4.522 106 H ALA 13 H ALA 13 -5.542 -4.135 0.405 107 HA ALA 13 HA ALA 13 -6.767 -6.745 0.695 108 1HB ALA 13 1HB ALA 13 -5.525 -5.428 -1.395 109 2HB ALA 13 2HB ALA 13 -6.031 -7.118 -1.373 110 3HB ALA 13 3HB ALA 13 -4.376 -6.686 -0.940 111 H GLY 14 H GLY 14 -4.668 -5.175 2.521 112 1HA GLY 14 2HA GLY 14 -3.149 -5.788 4.130 113 2HA GLY 14 1HA GLY 14 -3.728 -7.422 3.905 114 H ILE 15 H ILE 15 -2.501 -5.845 1.163 115 HA ILE 15 HA ILE 15 -0.237 -7.671 1.137 116 HB ILE 15 HB ILE 15 0.133 -6.809 -1.193 117 1HG1 ILE 15 2HG1 ILE 15 -2.508 -5.422 -0.672 118 2HG1 ILE 15 1HG1 ILE 15 -0.959 -4.629 -0.934 119 1HG2 ILE 15 1HG2 ILE 15 -0.995 -8.877 -0.927 120 2HG2 ILE 15 2HG2 ILE 15 -1.909 -7.951 -2.118 121 3HG2 ILE 15 3HG2 ILE 15 -2.495 -8.077 -0.459 122 1HD1 ILE 15 1HD1 ILE 15 -2.732 -6.014 -2.883 123 2HD1 ILE 15 2HD1 ILE 15 -1.000 -5.910 -3.196 124 3HD1 ILE 15 3HD1 ILE 15 -1.949 -4.439 -2.992 125 H GLY 16 H GLY 16 -0.602 -5.198 2.786 126 1HA GLY 16 2HA GLY 16 1.239 -3.218 1.991 127 2HA GLY 16 1HA GLY 16 0.751 -3.546 3.650 128 H HIS 17 H HIS 17 1.650 -6.183 3.849 129 HA HIS 17 HA HIS 17 4.395 -5.715 4.410 130 1HB HIS 17 2HB HIS 17 4.453 -8.091 5.136 131 2HB HIS 17 1HB HIS 17 3.158 -7.169 5.881 132 HD1 HIS 17 1HD HIS 17 2.536 -9.901 6.217 133 HD2 HIS 17 2HD HIS 17 1.815 -8.130 2.526 134 HE1 HIS 17 1HE HIS 17 0.855 -11.380 5.077 135 H LYS 18 H LYS 18 2.821 -6.630 1.592 136 HA LYS 18 HA LYS 18 5.094 -8.107 0.535 137 1HB LYS 18 2HB LYS 18 2.920 -9.003 -0.008 138 2HB LYS 18 1HB LYS 18 2.389 -7.453 -0.642 139 1HG LYS 18 2HG LYS 18 2.920 -9.102 -2.398 140 2HG LYS 18 1HG LYS 18 3.894 -7.636 -2.507 141 1HD LYS 18 2HD LYS 18 5.281 -9.583 -2.899 142 2HD LYS 18 1HD LYS 18 5.746 -8.813 -1.382 143 1HE LYS 18 2HE LYS 18 4.430 -10.481 -0.151 144 2HE LYS 18 1HE LYS 18 4.002 -11.257 -1.676 145 1HZ LYS 18 1HZ LYS 18 6.437 -11.562 -2.046 146 2HZ LYS 18 2HZ LYS 18 5.810 -12.449 -0.751 147 3HZ LYS 18 3HZ LYS 18 6.698 -11.041 -0.458 148 H TYR 19 H TYR 19 3.464 -5.014 0.184 149 HA TYR 19 HA TYR 19 5.252 -4.213 -1.975 150 1HB TYR 19 2HB TYR 19 2.918 -2.874 -0.616 151 2HB TYR 19 1HB TYR 19 3.944 -2.019 -1.761 152 HD1 TYR 19 1HD TYR 19 2.502 -1.627 -3.556 153 HD2 TYR 19 2HD TYR 19 2.769 -5.554 -1.942 154 HE1 TYR 19 1HE TYR 19 1.149 -2.480 -5.422 155 HE2 TYR 19 2HE TYR 19 1.418 -6.417 -3.805 156 HH TYR 19 HH TYR 19 1.000 -5.094 -6.543 157 HA PRO 20 HA PRO 20 8.256 -2.774 1.052 158 1HB PRO 20 2HB PRO 20 9.830 -1.543 -0.877 159 2HB PRO 20 1HB PRO 20 9.976 -3.225 -0.357 160 1HG PRO 20 2HG PRO 20 8.593 -2.089 -2.747 161 2HG PRO 20 1HG PRO 20 9.537 -3.583 -2.599 162 1HD PRO 20 2HD PRO 20 6.858 -3.622 -2.670 163 2HD PRO 20 1HD PRO 20 7.773 -4.750 -1.645 164 H PHE 21 H PHE 21 7.230 -0.673 -1.638 165 HA PHE 21 HA PHE 21 7.741 1.722 -0.161 166 1HB PHE 21 2HB PHE 21 6.512 2.797 -2.132 167 2HB PHE 21 1HB PHE 21 8.012 1.951 -2.479 168 HD1 PHE 21 1HD PHE 21 8.068 0.450 -4.215 169 HD2 PHE 21 2HD PHE 21 4.327 1.369 -2.414 170 HE1 PHE 21 1HE PHE 21 6.918 -0.888 -5.930 171 HE2 PHE 21 2HE PHE 21 3.170 0.030 -4.121 172 HZ PHE 21 HZ PHE 21 4.466 -1.102 -5.882 173 H CYS 22 H CYS 22 5.286 -0.507 0.017 174 HA CYS 22 HA CYS 22 3.565 1.442 1.374 175 1HB CYS 22 2HB CYS 22 2.634 -0.616 -0.645 176 2HB CYS 22 1HB CYS 22 1.556 0.223 0.464 177 H HIS 23 H HIS 23 5.293 0.046 2.736 178 HA HIS 23 HA HIS 23 4.547 -2.570 3.500 179 1HB HIS 23 2HB HIS 23 6.831 -1.425 3.756 180 2HB HIS 23 1HB HIS 23 6.167 -0.691 5.211 181 HD1 HIS 23 1HD HIS 23 8.398 -2.267 5.992 182 HD2 HIS 23 2HD HIS 23 4.774 -4.140 5.202 183 HE1 HIS 23 1HE HIS 23 8.527 -4.496 7.145 184 H CYS 24 H CYS 24 2.264 -1.503 3.595 185 HA CYS 24 HA CYS 24 1.474 -0.401 6.132 186 1HB CYS 24 2HB CYS 24 0.431 0.022 3.838 187 2HB CYS 24 1HB CYS 24 -0.299 -1.570 3.996 188 H ARG 25 H ARG 25 -0.667 -1.571 6.983 189 HA ARG 25 HA ARG 25 0.259 -4.023 8.134 190 1HB ARG 25 2HB ARG 25 -1.165 -2.353 9.336 191 2HB ARG 25 1HB ARG 25 -2.507 -2.815 8.299 192 1HG ARG 25 2HG ARG 25 -2.631 -3.906 10.476 193 2HG ARG 25 1HG ARG 25 -2.433 -5.081 9.175 194 1HD ARG 25 2HD ARG 25 -1.020 -5.626 11.097 195 2HD ARG 25 1HD ARG 25 -0.056 -5.254 9.671 196 HE ARG 25 HE ARG 25 -0.390 -2.914 11.195 197 1HH1 ARG 25 1HH1 ARG 25 1.266 -5.989 11.319 198 2HH1 ARG 25 2HH1 ARG 25 2.565 -5.403 12.302 199 1HH2 ARG 25 1HH2 ARG 25 1.325 -2.123 12.495 200 2HH2 ARG 25 2HH2 ARG 25 2.599 -3.194 12.973 201 1HN NH2 26 1H ARG 25 -2.970 -4.790 5.768 202 2HN NH2 26 2H ARG 25 -2.208 -3.246 5.656 Start of MODEL 8 1 1H PHE 1 1HT PHE 1 7.637 16.063 -5.149 2 2H PHE 1 2HT PHE 1 8.391 14.659 -5.716 3 3H PHE 1 3HT PHE 1 7.481 14.612 -4.291 4 HA PHE 1 HA PHE 1 5.885 15.613 -6.369 5 1HB PHE 1 2HB PHE 1 5.849 13.535 -7.760 6 2HB PHE 1 1HB PHE 1 7.353 14.434 -7.890 7 HD1 PHE 1 1HD PHE 1 5.811 11.510 -6.180 8 HD2 PHE 1 2HD PHE 1 9.388 13.383 -7.526 9 HE1 PHE 1 1HE PHE 1 7.078 9.475 -5.631 10 HE2 PHE 1 2HE PHE 1 10.662 11.351 -6.978 11 HZ PHE 1 HZ PHE 1 9.507 9.394 -6.029 12 HA PRO 2 HA PRO 2 3.029 13.676 -3.627 13 1HB PRO 2 2HB PRO 2 1.212 13.103 -5.854 14 2HB PRO 2 1HB PRO 2 1.004 14.218 -4.504 15 1HG PRO 2 2HG PRO 2 1.409 15.073 -7.026 16 2HG PRO 2 1HG PRO 2 2.008 15.961 -5.613 17 1HD PRO 2 2HD PRO 2 3.489 14.161 -7.490 18 2HD PRO 2 1HD PRO 2 4.000 15.699 -6.762 19 H ARG 3 H ARG 3 2.707 11.677 -2.826 20 HA ARG 3 HA ARG 3 3.668 9.427 -4.345 21 1HB ARG 3 2HB ARG 3 2.810 9.844 -1.503 22 2HB ARG 3 1HB ARG 3 2.946 8.213 -2.142 23 1HG ARG 3 2HG ARG 3 5.283 8.551 -2.628 24 2HG ARG 3 1HG ARG 3 5.171 10.240 -2.125 25 1HD ARG 3 2HD ARG 3 6.154 8.763 -0.393 26 2HD ARG 3 1HD ARG 3 4.693 9.592 0.140 27 HE ARG 3 HE ARG 3 3.665 7.567 0.378 28 1HH1 ARG 3 1HH1 ARG 3 6.570 7.092 -1.522 29 2HH1 ARG 3 2HH1 ARG 3 6.416 5.368 -1.557 30 1HH2 ARG 3 1HH2 ARG 3 3.460 5.288 0.322 31 2HH2 ARG 3 2HH2 ARG 3 4.654 4.335 -0.499 32 HA PRO 4 HA PRO 4 -0.297 8.235 -5.939 33 1HB PRO 4 2HB PRO 4 0.889 5.523 -5.978 34 2HB PRO 4 1HB PRO 4 0.216 6.473 -7.305 35 1HG PRO 4 2HG PRO 4 2.858 6.084 -7.052 36 2HG PRO 4 1HG PRO 4 2.189 7.604 -7.680 37 1HD PRO 4 2HD PRO 4 3.319 6.999 -4.982 38 2HD PRO 4 1HD PRO 4 3.436 8.480 -5.950 39 H ARG 5 H ARG 5 -2.135 7.422 -5.025 40 HA ARG 5 HA ARG 5 -1.995 6.533 -2.305 41 1HB ARG 5 2HB ARG 5 -3.775 8.060 -3.282 42 2HB ARG 5 1HB ARG 5 -4.467 6.629 -4.032 43 1HG ARG 5 2HG ARG 5 -4.757 5.619 -1.819 44 2HG ARG 5 1HG ARG 5 -4.091 7.074 -1.078 45 1HD ARG 5 2HD ARG 5 -5.930 8.392 -1.872 46 2HD ARG 5 1HD ARG 5 -6.546 7.040 -2.824 47 HE ARG 5 HE ARG 5 -6.402 6.222 -0.157 48 1HH1 ARG 5 1HH1 ARG 5 -8.188 8.524 -2.093 49 2HH1 ARG 5 2HH1 ARG 5 -9.609 8.445 -1.108 50 1HH2 ARG 5 1HH2 ARG 5 -8.265 6.088 1.133 51 2HH2 ARG 5 2HH2 ARG 5 -9.654 7.054 0.742 52 H ILE 6 H ILE 6 -0.696 4.744 -3.977 53 HA ILE 6 HA ILE 6 -2.324 2.473 -4.589 54 HB ILE 6 HB ILE 6 -0.034 1.297 -4.581 55 1HG1 ILE 6 2HG1 ILE 6 0.847 4.191 -4.557 56 2HG1 ILE 6 1HG1 ILE 6 1.172 3.003 -3.300 57 1HG2 ILE 6 1HG2 ILE 6 -0.248 1.521 -6.784 58 2HG2 ILE 6 2HG2 ILE 6 0.233 3.216 -6.707 59 3HG2 ILE 6 3HG2 ILE 6 -1.459 2.768 -6.484 60 1HD1 ILE 6 1HD1 ILE 6 2.910 3.630 -5.230 61 2HD1 ILE 6 2HD1 ILE 6 2.069 2.295 -6.015 62 3HD1 ILE 6 3HD1 ILE 6 2.851 2.049 -4.453 63 H CYS 7 H CYS 7 -0.374 3.504 -1.888 64 HA CYS 7 HA CYS 7 -0.214 1.157 -0.404 65 1HB CYS 7 2HB CYS 7 -0.489 4.021 0.522 66 2HB CYS 7 1HB CYS 7 -0.092 2.681 1.580 67 H ASN 8 H ASN 8 -2.831 3.299 -0.985 68 HA ASN 8 HA ASN 8 -4.583 2.715 1.128 69 1HB ASN 8 2HB ASN 8 -4.864 4.466 -0.703 70 2HB ASN 8 1HB ASN 8 -5.424 3.164 -1.739 71 1HD2 ASN 8 1HD2 ASN 8 -7.501 2.605 -1.664 72 2HD2 ASN 8 2HD2 ASN 8 -8.643 3.174 -0.500 73 H LEU 9 H LEU 9 -4.259 1.262 -2.063 74 HA LEU 9 HA LEU 9 -6.169 -0.801 -1.691 75 1HB LEU 9 2HB LEU 9 -3.843 -1.149 -3.527 76 2HB LEU 9 1HB LEU 9 -5.528 -1.563 -3.780 77 HG LEU 9 HG LEU 9 -4.444 1.246 -3.781 78 1HD1 LEU 9 1HD1 LEU 9 -4.998 1.029 -6.275 79 2HD1 LEU 9 2HD1 LEU 9 -4.946 -0.711 -5.997 80 3HD1 LEU 9 3HD1 LEU 9 -3.516 0.274 -5.690 81 1HD2 LEU 9 1HD2 LEU 9 -7.105 0.166 -3.686 82 2HD2 LEU 9 2HD2 LEU 9 -6.864 1.053 -5.190 83 3HD2 LEU 9 3HD2 LEU 9 -6.581 1.849 -3.642 84 H ALA 10 H ALA 10 -2.721 -0.507 -1.310 85 HA ALA 10 HA ALA 10 -2.013 -3.147 -0.823 86 1HB ALA 10 1HB ALA 10 -0.264 -1.609 -1.111 87 2HB ALA 10 2HB ALA 10 -0.133 -2.147 0.564 88 3HB ALA 10 3HB ALA 10 -0.845 -0.576 0.195 89 H CYS 11 H CYS 11 -3.042 -0.692 1.573 90 HA CYS 11 HA CYS 11 -2.850 -2.432 3.807 91 1HB CYS 11 2HB CYS 11 -4.839 -0.168 3.629 92 2HB CYS 11 1HB CYS 11 -4.038 -0.796 5.056 93 H ARG 12 H ARG 12 -5.547 -1.524 1.703 94 HA ARG 12 HA ARG 12 -7.595 -2.875 3.006 95 1HB ARG 12 2HB ARG 12 -8.056 -1.256 1.277 96 2HB ARG 12 1HB ARG 12 -7.257 -2.255 0.072 97 1HG ARG 12 2HG ARG 12 -9.666 -2.408 -0.140 98 2HG ARG 12 1HG ARG 12 -8.984 -3.963 0.340 99 1HD ARG 12 2HD ARG 12 -9.572 -3.428 2.695 100 2HD ARG 12 1HD ARG 12 -10.368 -1.964 2.126 101 HE ARG 12 HE ARG 12 -12.150 -3.231 1.489 102 1HH1 ARG 12 1HH1 ARG 12 -9.408 -5.376 1.960 103 2HH1 ARG 12 2HH1 ARG 12 -10.326 -6.814 1.651 104 1HH2 ARG 12 1HH2 ARG 12 -13.354 -5.134 1.087 105 2HH2 ARG 12 2HH2 ARG 12 -12.571 -6.677 1.155 106 H ALA 13 H ALA 13 -5.437 -4.059 0.455 107 HA ALA 13 HA ALA 13 -6.692 -6.677 0.553 108 1HB ALA 13 1HB ALA 13 -4.216 -6.103 -1.011 109 2HB ALA 13 2HB ALA 13 -5.762 -5.444 -1.541 110 3HB ALA 13 3HB ALA 13 -5.553 -7.189 -1.387 111 H GLY 14 H GLY 14 -4.643 -5.183 2.504 112 1HA GLY 14 2HA GLY 14 -3.159 -5.863 4.117 113 2HA GLY 14 1HA GLY 14 -3.734 -7.485 3.820 114 H ILE 15 H ILE 15 -2.481 -5.835 1.151 115 HA ILE 15 HA ILE 15 -0.201 -7.641 1.111 116 HB ILE 15 HB ILE 15 0.167 -6.804 -1.204 117 1HG1 ILE 15 2HG1 ILE 15 -2.404 -5.287 -0.695 118 2HG1 ILE 15 1HG1 ILE 15 -0.813 -4.571 -0.936 119 1HG2 ILE 15 1HG2 ILE 15 -2.197 -7.684 -2.010 120 2HG2 ILE 15 2HG2 ILE 15 -2.333 -8.132 -0.309 121 3HG2 ILE 15 3HG2 ILE 15 -1.002 -8.757 -1.284 122 1HD1 ILE 15 1HD1 ILE 15 -2.510 -4.651 -2.891 123 2HD1 ILE 15 2HD1 ILE 15 -1.986 -6.327 -3.042 124 3HD1 ILE 15 3HD1 ILE 15 -0.812 -5.019 -3.194 125 H GLY 16 H GLY 16 -0.583 -5.224 2.818 126 1HA GLY 16 2HA GLY 16 1.198 -3.181 2.065 127 2HA GLY 16 1HA GLY 16 0.744 -3.575 3.717 128 H HIS 17 H HIS 17 1.752 -6.149 3.923 129 HA HIS 17 HA HIS 17 4.525 -5.572 4.319 130 1HB HIS 17 2HB HIS 17 4.688 -7.678 5.409 131 2HB HIS 17 1HB HIS 17 3.111 -7.032 5.835 132 HD1 HIS 17 1HD HIS 17 4.604 -9.511 3.357 133 HD2 HIS 17 2HD HIS 17 1.077 -8.786 5.439 134 HE1 HIS 17 1HE HIS 17 3.119 -11.485 2.878 135 H LYS 18 H LYS 18 2.821 -6.522 1.646 136 HA LYS 18 HA LYS 18 4.929 -8.189 0.520 137 1HB LYS 18 2HB LYS 18 2.565 -8.802 0.116 138 2HB LYS 18 1HB LYS 18 2.312 -7.262 -0.694 139 1HG LYS 18 2HG LYS 18 4.114 -7.970 -2.321 140 2HG LYS 18 1HG LYS 18 4.006 -9.573 -1.597 141 1HD LYS 18 2HD LYS 18 1.706 -8.078 -2.856 142 2HD LYS 18 1HD LYS 18 2.641 -9.348 -3.644 143 1HE LYS 18 2HE LYS 18 1.920 -10.947 -1.961 144 2HE LYS 18 1HE LYS 18 1.037 -9.680 -1.110 145 1HZ LYS 18 1HZ LYS 18 -0.695 -9.982 -2.437 146 2HZ LYS 18 2HZ LYS 18 0.091 -11.309 -3.132 147 3HZ LYS 18 3HZ LYS 18 0.248 -9.776 -3.827 148 H TYR 19 H TYR 19 3.445 -5.029 0.140 149 HA TYR 19 HA TYR 19 5.301 -4.318 -1.998 150 1HB TYR 19 2HB TYR 19 2.933 -2.895 -0.774 151 2HB TYR 19 1HB TYR 19 3.987 -2.139 -1.962 152 HD1 TYR 19 1HD TYR 19 2.306 -1.806 -3.631 153 HD2 TYR 19 2HD TYR 19 3.020 -5.705 -2.086 154 HE1 TYR 19 1HE TYR 19 0.960 -2.770 -5.449 155 HE2 TYR 19 2HE TYR 19 1.678 -6.675 -3.898 156 HH TYR 19 HH TYR 19 0.371 -4.681 -6.496 157 HA PRO 20 HA PRO 20 8.122 -2.826 1.197 158 1HB PRO 20 2HB PRO 20 9.505 -1.821 -1.234 159 2HB PRO 20 1HB PRO 20 10.139 -2.783 0.107 160 1HG PRO 20 2HG PRO 20 9.666 -3.907 -2.259 161 2HG PRO 20 1HG PRO 20 9.304 -4.772 -0.752 162 1HD PRO 20 2HD PRO 20 7.442 -3.375 -2.633 163 2HD PRO 20 1HD PRO 20 7.220 -4.901 -1.751 164 H PHE 21 H PHE 21 7.249 -0.879 -1.644 165 HA PHE 21 HA PHE 21 7.780 1.605 -0.330 166 1HB PHE 21 2HB PHE 21 6.629 2.566 -2.394 167 2HB PHE 21 1HB PHE 21 8.099 1.638 -2.658 168 HD1 PHE 21 1HD PHE 21 4.401 1.101 -2.515 169 HD2 PHE 21 2HD PHE 21 8.106 0.112 -4.358 170 HE1 PHE 21 1HE PHE 21 3.214 -0.334 -4.122 171 HE2 PHE 21 2HE PHE 21 6.927 -1.324 -5.968 172 HZ PHE 21 HZ PHE 21 4.476 -1.548 -5.851 173 H CYS 22 H CYS 22 5.379 -0.529 0.170 174 HA CYS 22 HA CYS 22 3.651 1.505 1.326 175 1HB CYS 22 2HB CYS 22 2.765 -0.441 -0.794 176 2HB CYS 22 1HB CYS 22 1.633 0.153 0.414 177 H HIS 23 H HIS 23 5.306 0.036 2.733 178 HA HIS 23 HA HIS 23 4.383 -2.507 3.557 179 1HB HIS 23 2HB HIS 23 6.000 -2.282 5.419 180 2HB HIS 23 1HB HIS 23 6.709 -1.947 3.847 181 HD1 HIS 23 1HD HIS 23 8.443 -0.882 5.803 182 HD2 HIS 23 2HD HIS 23 5.018 1.244 4.794 183 HE1 HIS 23 1HE HIS 23 8.885 1.486 6.521 184 H CYS 24 H CYS 24 2.183 -1.280 3.605 185 HA CYS 24 HA CYS 24 1.445 -0.081 6.109 186 1HB CYS 24 2HB CYS 24 0.442 0.437 3.862 187 2HB CYS 24 1HB CYS 24 -0.313 -1.151 3.899 188 H ARG 25 H ARG 25 -0.617 -1.017 7.169 189 HA ARG 25 HA ARG 25 0.052 -3.622 8.173 190 1HB ARG 25 2HB ARG 25 -0.841 -1.862 9.644 191 2HB ARG 25 1HB ARG 25 -2.345 -1.863 8.736 192 1HG ARG 25 2HG ARG 25 -2.667 -4.240 9.398 193 2HG ARG 25 1HG ARG 25 -1.244 -4.093 10.430 194 1HD ARG 25 2HD ARG 25 -2.308 -2.389 11.747 195 2HD ARG 25 1HD ARG 25 -3.680 -2.329 10.642 196 HE ARG 25 HE ARG 25 -3.321 -4.122 12.807 197 1HH1 ARG 25 1HH1 ARG 25 -4.621 -3.963 9.553 198 2HH1 ARG 25 2HH1 ARG 25 -5.736 -5.265 9.795 199 1HH2 ARG 25 1HH2 ARG 25 -4.795 -5.844 13.130 200 2HH2 ARG 25 2HH2 ARG 25 -5.836 -6.338 11.836 201 1HN NH2 26 1H ARG 25 -1.673 -5.546 5.919 202 2HN NH2 26 2H ARG 25 -0.203 -4.635 5.958 Start of MODEL 9 1 1H PHE 1 1HT PHE 1 0.344 12.940 7.524 2 2H PHE 1 2HT PHE 1 -0.276 11.488 8.134 3 3H PHE 1 3HT PHE 1 -0.737 12.025 6.598 4 HA PHE 1 HA PHE 1 2.088 11.811 6.813 5 1HB PHE 1 2HB PHE 1 1.518 10.069 8.438 6 2HB PHE 1 1HB PHE 1 0.388 9.349 7.299 7 HD1 PHE 1 1HD PHE 1 3.979 10.406 7.284 8 HD2 PHE 1 2HD PHE 1 1.103 7.421 6.317 9 HE1 PHE 1 1HE PHE 1 5.773 8.967 6.408 10 HE2 PHE 1 2HE PHE 1 2.891 5.976 5.442 11 HZ PHE 1 HZ PHE 1 5.230 6.748 5.486 12 HA PRO 2 HA PRO 2 0.787 11.507 2.536 13 1HB PRO 2 2HB PRO 2 3.152 12.109 1.425 14 2HB PRO 2 1HB PRO 2 2.182 13.335 2.249 15 1HG PRO 2 2HG PRO 2 4.595 11.866 3.209 16 2HG PRO 2 1HG PRO 2 4.140 13.560 3.459 17 1HD PRO 2 2HD PRO 2 3.773 11.517 5.302 18 2HD PRO 2 1HD PRO 2 2.903 13.062 5.303 19 H ARG 3 H ARG 3 0.846 9.897 1.012 20 HA ARG 3 HA ARG 3 3.004 8.087 0.701 21 1HB ARG 3 2HB ARG 3 2.137 6.075 1.582 22 2HB ARG 3 1HB ARG 3 1.910 7.260 2.856 23 1HG ARG 3 2HG ARG 3 -0.268 6.479 0.937 24 2HG ARG 3 1HG ARG 3 0.013 5.655 2.470 25 1HD ARG 3 2HD ARG 3 -0.300 7.804 3.642 26 2HD ARG 3 1HD ARG 3 -0.657 8.572 2.095 27 HE ARG 3 HE ARG 3 -2.361 6.368 2.430 28 1HH1 ARG 3 1HH1 ARG 3 -1.804 9.538 3.784 29 2HH1 ARG 3 2HH1 ARG 3 -3.456 9.778 4.247 30 1HH2 ARG 3 1HH2 ARG 3 -4.551 6.661 3.050 31 2HH2 ARG 3 2HH2 ARG 3 -5.024 8.129 3.837 32 HA PRO 4 HA PRO 4 1.218 7.741 -3.287 33 1HB PRO 4 2HB PRO 4 1.724 5.059 -3.814 34 2HB PRO 4 1HB PRO 4 2.857 6.387 -4.075 35 1HG PRO 4 2HG PRO 4 2.674 4.469 -1.797 36 2HG PRO 4 1HG PRO 4 4.112 5.154 -2.580 37 1HD PRO 4 2HD PRO 4 3.245 6.048 -0.203 38 2HD PRO 4 1HD PRO 4 3.953 7.148 -1.408 39 H ARG 5 H ARG 5 -0.624 7.108 -4.332 40 HA ARG 5 HA ARG 5 -2.860 6.384 -2.847 41 1HB ARG 5 2HB ARG 5 -2.919 7.588 -5.005 42 2HB ARG 5 1HB ARG 5 -2.456 6.110 -5.833 43 1HG ARG 5 2HG ARG 5 -4.819 6.467 -6.075 44 2HG ARG 5 1HG ARG 5 -4.543 5.053 -5.058 45 1HD ARG 5 2HD ARG 5 -4.974 6.381 -3.065 46 2HD ARG 5 1HD ARG 5 -5.184 7.826 -4.054 47 HE ARG 5 HE ARG 5 -6.974 5.871 -4.955 48 1HH1 ARG 5 1HH1 ARG 5 -6.440 7.880 -2.142 49 2HH1 ARG 5 2HH1 ARG 5 -8.114 7.942 -1.703 50 1HH2 ARG 5 1HH2 ARG 5 -9.196 5.958 -4.388 51 2HH2 ARG 5 2HH2 ARG 5 -9.688 6.848 -2.986 52 H ILE 6 H ILE 6 -0.515 4.388 -4.446 53 HA ILE 6 HA ILE 6 -1.960 2.006 -4.721 54 HB ILE 6 HB ILE 6 0.978 2.237 -4.088 55 1HG1 ILE 6 2HG1 ILE 6 -0.377 2.319 -6.795 56 2HG1 ILE 6 1HG1 ILE 6 0.323 3.711 -5.975 57 1HG2 ILE 6 1HG2 ILE 6 -0.475 -0.015 -4.230 58 2HG2 ILE 6 2HG2 ILE 6 1.217 0.077 -4.722 59 3HG2 ILE 6 3HG2 ILE 6 -0.062 0.177 -5.933 60 1HD1 ILE 6 1HD1 ILE 6 1.752 1.313 -7.082 61 2HD1 ILE 6 2HD1 ILE 6 2.520 2.498 -6.024 62 3HD1 ILE 6 3HD1 ILE 6 1.886 2.995 -7.593 63 H CYS 7 H CYS 7 -0.235 3.374 -1.992 64 HA CYS 7 HA CYS 7 -0.182 1.162 -0.299 65 1HB CYS 7 2HB CYS 7 -0.415 4.105 0.317 66 2HB CYS 7 1HB CYS 7 -0.156 2.875 1.542 67 H ASN 8 H ASN 8 -2.759 3.286 -1.178 68 HA ASN 8 HA ASN 8 -4.531 2.822 0.968 69 1HB ASN 8 2HB ASN 8 -4.696 4.536 -0.973 70 2HB ASN 8 1HB ASN 8 -5.484 3.234 -1.854 71 1HD2 ASN 8 1HD2 ASN 8 -7.602 3.087 -1.657 72 2HD2 ASN 8 2HD2 ASN 8 -8.552 3.764 -0.384 73 H LEU 9 H LEU 9 -4.296 1.261 -2.213 74 HA LEU 9 HA LEU 9 -6.270 -0.698 -1.573 75 1HB LEU 9 2HB LEU 9 -5.625 -1.774 -3.686 76 2HB LEU 9 1HB LEU 9 -5.975 -0.070 -3.876 77 HG LEU 9 HG LEU 9 -3.325 0.110 -3.622 78 1HD1 LEU 9 1HD1 LEU 9 -2.498 -1.868 -5.129 79 2HD1 LEU 9 2HD1 LEU 9 -3.862 -2.714 -4.399 80 3HD1 LEU 9 3HD1 LEU 9 -2.589 -2.047 -3.377 81 1HD2 LEU 9 1HD2 LEU 9 -3.207 0.061 -6.093 82 2HD2 LEU 9 2HD2 LEU 9 -4.573 0.993 -5.479 83 3HD2 LEU 9 3HD2 LEU 9 -4.832 -0.628 -6.125 84 H ALA 10 H ALA 10 -2.833 -0.457 -1.271 85 HA ALA 10 HA ALA 10 -2.175 -3.162 -0.947 86 1HB ALA 10 1HB ALA 10 -0.231 -2.220 0.418 87 2HB ALA 10 2HB ALA 10 -0.902 -0.631 0.046 88 3HB ALA 10 3HB ALA 10 -0.376 -1.694 -1.259 89 H CYS 11 H CYS 11 -3.097 -0.698 1.454 90 HA CYS 11 HA CYS 11 -2.891 -2.398 3.708 91 1HB CYS 11 2HB CYS 11 -4.708 0.004 3.345 92 2HB CYS 11 1HB CYS 11 -4.266 -0.730 4.878 93 H ARG 12 H ARG 12 -5.565 -1.573 1.554 94 HA ARG 12 HA ARG 12 -7.642 -2.830 2.920 95 1HB ARG 12 2HB ARG 12 -7.969 -1.284 1.031 96 2HB ARG 12 1HB ARG 12 -7.324 -2.499 -0.066 97 1HG ARG 12 2HG ARG 12 -9.186 -4.001 0.582 98 2HG ARG 12 1HG ARG 12 -9.857 -2.686 1.549 99 1HD ARG 12 2HD ARG 12 -10.959 -2.772 -0.601 100 2HD ARG 12 1HD ARG 12 -10.000 -1.298 -0.477 101 HE ARG 12 HE ARG 12 -8.417 -3.243 -1.699 102 1HH1 ARG 12 1HH1 ARG 12 -11.340 -1.446 -2.368 103 2HH1 ARG 12 2HH1 ARG 12 -11.128 -1.476 -4.088 104 1HH2 ARG 12 1HH2 ARG 12 -8.121 -3.290 -3.975 105 2HH2 ARG 12 2HH2 ARG 12 -9.289 -2.529 -5.005 106 H ALA 13 H ALA 13 -5.466 -4.135 0.446 107 HA ALA 13 HA ALA 13 -6.703 -6.753 0.687 108 1HB ALA 13 1HB ALA 13 -5.569 -7.362 -1.230 109 2HB ALA 13 2HB ALA 13 -4.243 -6.239 -0.926 110 3HB ALA 13 3HB ALA 13 -5.805 -5.632 -1.478 111 H GLY 14 H GLY 14 -4.669 -5.148 2.555 112 1HA GLY 14 2HA GLY 14 -3.163 -5.725 4.187 113 2HA GLY 14 1HA GLY 14 -3.738 -7.362 3.989 114 H ILE 15 H ILE 15 -2.469 -5.815 1.251 115 HA ILE 15 HA ILE 15 -0.229 -7.661 1.255 116 HB ILE 15 HB ILE 15 0.167 -6.794 -1.078 117 1HG1 ILE 15 2HG1 ILE 15 -2.471 -5.406 -0.552 118 2HG1 ILE 15 1HG1 ILE 15 -0.926 -4.620 -0.854 119 1HG2 ILE 15 1HG2 ILE 15 -1.946 -8.476 -0.080 120 2HG2 ILE 15 2HG2 ILE 15 -0.919 -8.683 -1.498 121 3HG2 ILE 15 3HG2 ILE 15 -2.402 -7.735 -1.614 122 1HD1 ILE 15 1HD1 ILE 15 -2.548 -4.697 -2.779 123 2HD1 ILE 15 2HD1 ILE 15 -2.236 -6.431 -2.855 124 3HD1 ILE 15 3HD1 ILE 15 -0.919 -5.286 -3.110 125 H GLY 16 H GLY 16 -0.500 -5.222 2.948 126 1HA GLY 16 2HA GLY 16 1.340 -3.248 2.121 127 2HA GLY 16 1HA GLY 16 0.899 -3.594 3.788 128 H HIS 17 H HIS 17 1.803 -6.300 3.810 129 HA HIS 17 HA HIS 17 4.552 -5.850 4.402 130 1HB HIS 17 2HB HIS 17 2.951 -7.520 5.525 131 2HB HIS 17 1HB HIS 17 3.253 -8.560 4.140 132 HD1 HIS 17 1HD HIS 17 6.189 -8.572 3.779 133 HD2 HIS 17 2HD HIS 17 4.463 -8.407 7.561 134 HE1 HIS 17 1HE HIS 17 7.932 -9.462 5.358 135 H LYS 18 H LYS 18 2.825 -6.876 1.634 136 HA LYS 18 HA LYS 18 5.082 -8.152 0.360 137 1HB LYS 18 2HB LYS 18 2.326 -7.444 -0.645 138 2HB LYS 18 1HB LYS 18 3.541 -8.256 -1.621 139 1HG LYS 18 2HG LYS 18 3.568 -10.117 -0.040 140 2HG LYS 18 1HG LYS 18 2.347 -9.303 0.936 141 1HD LYS 18 2HD LYS 18 1.221 -10.925 -0.397 142 2HD LYS 18 1HD LYS 18 0.844 -9.341 -1.072 143 1HE LYS 18 2HE LYS 18 3.072 -11.056 -2.144 144 2HE LYS 18 1HE LYS 18 1.411 -11.217 -2.710 145 1HZ LYS 18 1HZ LYS 18 3.150 -8.820 -2.918 146 2HZ LYS 18 2HZ LYS 18 1.500 -8.814 -3.288 147 3HZ LYS 18 3HZ LYS 18 2.563 -9.774 -4.185 148 H TYR 19 H TYR 19 3.453 -5.042 0.255 149 HA TYR 19 HA TYR 19 5.067 -4.190 -2.013 150 1HB TYR 19 2HB TYR 19 2.825 -2.916 -0.463 151 2HB TYR 19 1HB TYR 19 3.785 -1.989 -1.613 152 HD1 TYR 19 1HD TYR 19 2.828 -5.543 -2.034 153 HD2 TYR 19 2HD TYR 19 2.080 -1.520 -3.200 154 HE1 TYR 19 1HE TYR 19 1.415 -6.346 -3.875 155 HE2 TYR 19 2HE TYR 19 0.662 -2.316 -5.045 156 HH TYR 19 HH TYR 19 -0.141 -4.085 -6.122 157 HA PRO 20 HA PRO 20 8.337 -2.866 0.756 158 1HB PRO 20 2HB PRO 20 9.287 -1.647 -1.781 159 2HB PRO 20 1HB PRO 20 10.138 -2.707 -0.652 160 1HG PRO 20 2HG PRO 20 9.271 -3.632 -2.992 161 2HG PRO 20 1HG PRO 20 9.179 -4.629 -1.527 162 1HD PRO 20 2HD PRO 20 7.015 -3.116 -2.933 163 2HD PRO 20 1HD PRO 20 6.953 -4.713 -2.157 164 H PHE 21 H PHE 21 7.043 -0.700 -1.753 165 HA PHE 21 HA PHE 21 7.715 1.647 -0.235 166 1HB PHE 21 2HB PHE 21 6.417 2.806 -2.116 167 2HB PHE 21 1HB PHE 21 7.893 1.958 -2.553 168 HD1 PHE 21 1HD PHE 21 4.229 1.255 -2.257 169 HD2 PHE 21 2HD PHE 21 7.837 0.661 -4.433 170 HE1 PHE 21 1HE PHE 21 2.993 -0.033 -3.947 171 HE2 PHE 21 2HE PHE 21 6.607 -0.627 -6.128 172 HZ PHE 21 HZ PHE 21 4.180 -0.975 -5.887 173 H CYS 22 H CYS 22 5.356 -0.544 0.227 174 HA CYS 22 HA CYS 22 3.679 1.423 1.585 175 1HB CYS 22 2HB CYS 22 2.624 -0.598 -0.407 176 2HB CYS 22 1HB CYS 22 1.610 0.208 0.782 177 H HIS 23 H HIS 23 5.268 0.178 3.068 178 HA HIS 23 HA HIS 23 4.677 -2.491 3.814 179 1HB HIS 23 2HB HIS 23 6.338 -0.297 4.974 180 2HB HIS 23 1HB HIS 23 5.985 -1.714 5.959 181 HD1 HIS 23 1HD HIS 23 8.848 -1.358 5.355 182 HD2 HIS 23 2HD HIS 23 6.300 -3.340 2.738 183 HE1 HIS 23 1HE HIS 23 10.332 -2.830 3.960 184 H CYS 24 H CYS 24 2.299 -1.523 3.755 185 HA CYS 24 HA CYS 24 1.329 -0.552 6.289 186 1HB CYS 24 2HB CYS 24 0.384 -0.105 3.934 187 2HB CYS 24 1HB CYS 24 -0.323 -1.712 4.062 188 H ARG 25 H ARG 25 -0.869 -1.890 6.829 189 HA ARG 25 HA ARG 25 0.126 -4.369 7.931 190 1HB ARG 25 2HB ARG 25 -2.545 -2.974 8.188 191 2HB ARG 25 1HB ARG 25 -2.172 -4.504 8.968 192 1HG ARG 25 2HG ARG 25 -1.824 -2.905 10.625 193 2HG ARG 25 1HG ARG 25 -0.204 -3.283 10.041 194 1HD ARG 25 2HD ARG 25 -0.405 -1.280 8.527 195 2HD ARG 25 1HD ARG 25 -1.882 -0.867 9.395 196 HE ARG 25 HE ARG 25 -0.606 -0.075 11.108 197 1HH1 ARG 25 1HH1 ARG 25 1.411 -2.106 9.085 198 2HH1 ARG 25 2HH1 ARG 25 2.861 -1.777 9.974 199 1HH2 ARG 25 1HH2 ARG 25 1.309 0.360 12.287 200 2HH2 ARG 25 2HH2 ARG 25 2.801 -0.375 11.802 201 1HN NH2 26 1H ARG 25 -1.028 -6.564 7.455 202 2HN NH2 26 2H ARG 25 -2.581 -6.409 6.714 Start of MODEL 10 1 1H PHE 1 1HT PHE 1 -1.724 12.540 7.519 2 2H PHE 1 2HT PHE 1 -1.718 11.004 8.228 3 3H PHE 1 3HT PHE 1 -2.161 11.185 6.606 4 HA PHE 1 HA PHE 1 0.432 12.249 7.168 5 1HB PHE 1 2HB PHE 1 -0.184 9.330 7.664 6 2HB PHE 1 1HB PHE 1 1.431 9.899 7.266 7 HD1 PHE 1 1HD PHE 1 2.829 10.020 9.057 8 HD2 PHE 1 2HD PHE 1 -1.285 10.951 9.625 9 HE1 PHE 1 1HE PHE 1 3.262 10.466 11.436 10 HE2 PHE 1 2HE PHE 1 -0.858 11.403 12.004 11 HZ PHE 1 HZ PHE 1 1.417 11.161 12.914 12 HA PRO 2 HA PRO 2 0.273 11.740 2.773 13 1HB PRO 2 2HB PRO 2 2.936 11.880 2.211 14 2HB PRO 2 1HB PRO 2 1.953 13.292 2.615 15 1HG PRO 2 2HG PRO 2 3.793 11.700 4.357 16 2HG PRO 2 1HG PRO 2 3.582 13.458 4.262 17 1HD PRO 2 2HD PRO 2 2.469 11.967 6.224 18 2HD PRO 2 1HD PRO 2 1.691 13.428 5.582 19 H ARG 3 H ARG 3 0.363 10.100 1.307 20 HA ARG 3 HA ARG 3 2.224 7.961 1.414 21 1HB ARG 3 2HB ARG 3 0.586 6.144 1.892 22 2HB ARG 3 1HB ARG 3 0.918 7.170 3.280 23 1HG ARG 3 2HG ARG 3 -1.174 8.194 3.178 24 2HG ARG 3 1HG ARG 3 -1.450 7.672 1.517 25 1HD ARG 3 2HD ARG 3 -2.789 6.415 3.179 26 2HD ARG 3 1HD ARG 3 -1.721 5.392 2.219 27 HE ARG 3 HE ARG 3 -0.386 6.106 4.575 28 1HH1 ARG 3 1HH1 ARG 3 -3.133 4.216 3.544 29 2HH1 ARG 3 2HH1 ARG 3 -3.002 3.064 4.833 30 1HH2 ARG 3 1HH2 ARG 3 -0.204 4.598 6.304 31 2HH2 ARG 3 2HH2 ARG 3 -1.336 3.292 6.418 32 HA PRO 4 HA PRO 4 1.068 7.799 -2.842 33 1HB PRO 4 2HB PRO 4 1.688 4.900 -2.643 34 2HB PRO 4 1HB PRO 4 2.357 6.121 -3.731 35 1HG PRO 4 2HG PRO 4 3.792 5.182 -1.691 36 2HG PRO 4 1HG PRO 4 3.868 6.893 -2.151 37 1HD PRO 4 2HD PRO 4 2.419 5.602 0.124 38 2HD PRO 4 1HD PRO 4 3.293 7.147 0.075 39 H ARG 5 H ARG 5 -0.673 7.215 -4.087 40 HA ARG 5 HA ARG 5 -3.066 6.513 -2.880 41 1HB ARG 5 2HB ARG 5 -2.833 7.682 -5.060 42 2HB ARG 5 1HB ARG 5 -2.341 6.164 -5.794 43 1HG ARG 5 2HG ARG 5 -4.651 6.587 -6.293 44 2HG ARG 5 1HG ARG 5 -4.534 5.200 -5.209 45 1HD ARG 5 2HD ARG 5 -6.351 6.641 -4.513 46 2HD ARG 5 1HD ARG 5 -5.068 6.666 -3.306 47 HE ARG 5 HE ARG 5 -4.850 8.901 -3.660 48 1HH1 ARG 5 1HH1 ARG 5 -6.485 7.534 -6.443 49 2HH1 ARG 5 2HH1 ARG 5 -6.725 9.065 -7.217 50 1HH2 ARG 5 1HH2 ARG 5 -5.173 10.927 -4.676 51 2HH2 ARG 5 2HH2 ARG 5 -5.978 10.999 -6.209 52 H ILE 6 H ILE 6 -0.653 4.473 -4.381 53 HA ILE 6 HA ILE 6 -2.152 2.107 -4.616 54 HB ILE 6 HB ILE 6 0.811 2.324 -4.124 55 1HG1 ILE 6 2HG1 ILE 6 -0.677 2.371 -6.761 56 2HG1 ILE 6 1HG1 ILE 6 0.064 3.773 -5.997 57 1HG2 ILE 6 1HG2 ILE 6 -0.876 0.095 -4.438 58 2HG2 ILE 6 2HG2 ILE 6 0.889 0.121 -4.403 59 3HG2 ILE 6 3HG2 ILE 6 0.035 0.252 -5.941 60 1HD1 ILE 6 1HD1 ILE 6 2.172 2.097 -6.089 61 2HD1 ILE 6 2HD1 ILE 6 1.778 3.268 -7.346 62 3HD1 ILE 6 3HD1 ILE 6 1.283 1.586 -7.523 63 H CYS 7 H CYS 7 -0.270 3.427 -1.958 64 HA CYS 7 HA CYS 7 -0.132 1.213 -0.293 65 1HB CYS 7 2HB CYS 7 -0.391 4.145 0.363 66 2HB CYS 7 1HB CYS 7 -0.083 2.911 1.573 67 H ASN 8 H ASN 8 -2.808 3.280 -1.010 68 HA ASN 8 HA ASN 8 -4.423 2.634 1.224 69 1HB ASN 8 2HB ASN 8 -5.192 3.558 -1.548 70 2HB ASN 8 1HB ASN 8 -6.325 3.413 -0.206 71 1HD2 ASN 8 1HD2 ASN 8 -4.635 5.570 -1.871 72 2HD2 ASN 8 2HD2 ASN 8 -4.347 6.764 -0.656 73 H LEU 9 H LEU 9 -4.331 1.273 -2.069 74 HA LEU 9 HA LEU 9 -6.263 -0.726 -1.471 75 1HB LEU 9 2HB LEU 9 -5.639 -1.740 -3.613 76 2HB LEU 9 1HB LEU 9 -5.965 -0.027 -3.763 77 HG LEU 9 HG LEU 9 -3.311 0.107 -3.508 78 1HD1 LEU 9 1HD1 LEU 9 -3.429 -2.341 -5.172 79 2HD1 LEU 9 2HD1 LEU 9 -3.479 -2.547 -3.421 80 3HD1 LEU 9 3HD1 LEU 9 -2.121 -1.708 -4.170 81 1HD2 LEU 9 1HD2 LEU 9 -3.219 0.498 -5.803 82 2HD2 LEU 9 2HD2 LEU 9 -4.897 0.838 -5.381 83 3HD2 LEU 9 3HD2 LEU 9 -4.474 -0.691 -6.153 84 H ALA 10 H ALA 10 -2.828 -0.463 -1.200 85 HA ALA 10 HA ALA 10 -2.154 -3.172 -0.901 86 1HB ALA 10 1HB ALA 10 -0.504 -1.552 0.781 87 2HB ALA 10 2HB ALA 10 -0.820 -0.695 -0.727 88 3HB ALA 10 3HB ALA 10 -0.113 -2.309 -0.764 89 H CYS 11 H CYS 11 -3.075 -0.704 1.497 90 HA CYS 11 HA CYS 11 -2.847 -2.403 3.756 91 1HB CYS 11 2HB CYS 11 -4.720 -0.042 3.446 92 2HB CYS 11 1HB CYS 11 -4.195 -0.760 4.957 93 H ARG 12 H ARG 12 -5.546 -1.590 1.622 94 HA ARG 12 HA ARG 12 -7.579 -2.911 3.011 95 1HB ARG 12 2HB ARG 12 -7.938 -1.262 1.201 96 2HB ARG 12 1HB ARG 12 -7.357 -2.437 0.033 97 1HG ARG 12 2HG ARG 12 -9.689 -3.101 1.779 98 2HG ARG 12 1HG ARG 12 -9.906 -2.077 0.360 99 1HD ARG 12 2HD ARG 12 -8.980 -3.823 -1.061 100 2HD ARG 12 1HD ARG 12 -8.691 -4.840 0.350 101 HE ARG 12 HE ARG 12 -11.416 -4.146 0.239 102 1HH1 ARG 12 1HH1 ARG 12 -9.053 -6.121 -1.406 103 2HH1 ARG 12 2HH1 ARG 12 -10.209 -7.284 -1.964 104 1HH2 ARG 12 1HH2 ARG 12 -12.966 -5.679 -0.491 105 2HH2 ARG 12 2HH2 ARG 12 -12.447 -7.031 -1.442 106 H ALA 13 H ALA 13 -5.525 -4.082 0.358 107 HA ALA 13 HA ALA 13 -6.709 -6.715 0.514 108 1HB ALA 13 1HB ALA 13 -6.135 -6.532 -1.643 109 2HB ALA 13 2HB ALA 13 -4.530 -7.019 -1.095 110 3HB ALA 13 3HB ALA 13 -4.908 -5.309 -1.311 111 H GLY 14 H GLY 14 -4.632 -5.177 2.422 112 1HA GLY 14 2HA GLY 14 -3.169 -5.841 4.062 113 2HA GLY 14 1HA GLY 14 -3.742 -7.466 3.781 114 H ILE 15 H ILE 15 -2.468 -5.839 1.103 115 HA ILE 15 HA ILE 15 -0.193 -7.649 1.090 116 HB ILE 15 HB ILE 15 0.205 -6.743 -1.223 117 1HG1 ILE 15 2HG1 ILE 15 -2.459 -5.402 -0.705 118 2HG1 ILE 15 1HG1 ILE 15 -0.920 -4.588 -0.963 119 1HG2 ILE 15 1HG2 ILE 15 -2.585 -7.791 -1.096 120 2HG2 ILE 15 2HG2 ILE 15 -1.259 -8.781 -0.490 121 3HG2 ILE 15 3HG2 ILE 15 -1.260 -8.241 -2.168 122 1HD1 ILE 15 1HD1 ILE 15 -1.496 -4.453 -3.096 123 2HD1 ILE 15 2HD1 ILE 15 -2.836 -5.581 -2.880 124 3HD1 ILE 15 3HD1 ILE 15 -1.211 -6.191 -3.196 125 H GLY 16 H GLY 16 -0.599 -5.193 2.760 126 1HA GLY 16 2HA GLY 16 1.266 -3.214 1.984 127 2HA GLY 16 1HA GLY 16 0.712 -3.507 3.627 128 H HIS 17 H HIS 17 1.594 -6.167 3.865 129 HA HIS 17 HA HIS 17 4.308 -5.709 4.579 130 1HB HIS 17 2HB HIS 17 2.567 -8.171 4.610 131 2HB HIS 17 1HB HIS 17 4.261 -8.220 5.086 132 HD1 HIS 17 1HD HIS 17 2.397 -9.007 7.235 133 HD2 HIS 17 2HD HIS 17 3.351 -5.021 6.545 134 HE1 HIS 17 1HE HIS 17 1.933 -7.820 9.400 135 H LYS 18 H LYS 18 2.790 -6.719 1.720 136 HA LYS 18 HA LYS 18 5.124 -8.115 0.688 137 1HB LYS 18 2HB LYS 18 2.333 -7.668 -0.300 138 2HB LYS 18 1HB LYS 18 3.591 -8.106 -1.444 139 1HG LYS 18 2HG LYS 18 2.435 -10.084 -0.784 140 2HG LYS 18 1HG LYS 18 4.054 -10.128 -0.089 141 1HD LYS 18 2HD LYS 18 3.175 -9.437 2.066 142 2HD LYS 18 1HD LYS 18 1.556 -9.287 1.379 143 1HE LYS 18 2HE LYS 18 1.832 -11.386 2.618 144 2HE LYS 18 1HE LYS 18 1.508 -11.668 0.908 145 1HZ LYS 18 1HZ LYS 18 3.438 -12.716 0.673 146 2HZ LYS 18 2HZ LYS 18 3.576 -12.716 2.358 147 3HZ LYS 18 3HZ LYS 18 4.305 -11.489 1.450 148 H TYR 19 H TYR 19 3.475 -5.039 0.348 149 HA TYR 19 HA TYR 19 5.147 -4.254 -1.896 150 1HB TYR 19 2HB TYR 19 2.870 -2.962 -0.424 151 2HB TYR 19 1HB TYR 19 3.871 -2.025 -1.527 152 HD1 TYR 19 1HD TYR 19 2.136 -1.526 -3.090 153 HD2 TYR 19 2HD TYR 19 3.004 -5.572 -2.097 154 HE1 TYR 19 1HE TYR 19 0.777 -2.279 -4.993 155 HE2 TYR 19 2HE TYR 19 1.647 -6.335 -3.998 156 HH TYR 19 HH TYR 19 0.910 -4.786 -6.470 157 HA PRO 20 HA PRO 20 8.324 -2.782 0.924 158 1HB PRO 20 2HB PRO 20 9.418 -1.713 -1.614 159 2HB PRO 20 1HB PRO 20 10.183 -2.752 -0.409 160 1HG PRO 20 2HG PRO 20 9.401 -3.730 -2.766 161 2HG PRO 20 1HG PRO 20 9.239 -4.681 -1.277 162 1HD PRO 20 2HD PRO 20 7.150 -3.178 -2.804 163 2HD PRO 20 1HD PRO 20 7.041 -4.757 -1.997 164 H PHE 21 H PHE 21 7.101 -0.800 -1.763 165 HA PHE 21 HA PHE 21 7.731 1.656 -0.404 166 1HB PHE 21 2HB PHE 21 6.548 2.700 -2.381 167 2HB PHE 21 1HB PHE 21 7.957 1.718 -2.763 168 HD1 PHE 21 1HD PHE 21 4.239 1.502 -2.547 169 HD2 PHE 21 2HD PHE 21 7.807 0.096 -4.391 170 HE1 PHE 21 1HE PHE 21 2.896 0.186 -4.131 171 HE2 PHE 21 2HE PHE 21 6.469 -1.223 -5.979 172 HZ PHE 21 HZ PHE 21 4.011 -1.178 -5.851 173 H CYS 22 H CYS 22 5.371 -0.520 0.126 174 HA CYS 22 HA CYS 22 3.673 1.472 1.401 175 1HB CYS 22 2HB CYS 22 2.675 -0.475 -0.686 176 2HB CYS 22 1HB CYS 22 1.613 0.215 0.533 177 H HIS 23 H HIS 23 5.312 0.112 2.787 178 HA HIS 23 HA HIS 23 4.601 -2.529 3.495 179 1HB HIS 23 2HB HIS 23 6.835 -1.182 3.818 180 2HB HIS 23 1HB HIS 23 6.119 -0.780 5.377 181 HD1 HIS 23 1HD HIS 23 6.490 -4.005 3.376 182 HD2 HIS 23 2HD HIS 23 6.978 -2.535 7.236 183 HE1 HIS 23 1HE HIS 23 7.298 -5.955 4.740 184 H CYS 24 H CYS 24 2.288 -1.400 3.586 185 HA CYS 24 HA CYS 24 1.471 -0.423 6.159 186 1HB CYS 24 2HB CYS 24 0.418 0.058 3.883 187 2HB CYS 24 1HB CYS 24 -0.272 -1.556 3.977 188 H ARG 25 H ARG 25 -0.688 -1.675 6.919 189 HA ARG 25 HA ARG 25 0.206 -3.985 8.242 190 1HB ARG 25 2HB ARG 25 -1.653 -2.528 9.026 191 2HB ARG 25 1HB ARG 25 -2.660 -3.159 7.731 192 1HG ARG 25 2HG ARG 25 -2.459 -5.410 8.691 193 2HG ARG 25 1HG ARG 25 -1.487 -4.749 10.005 194 1HD ARG 25 2HD ARG 25 -3.725 -4.984 10.800 195 2HD ARG 25 1HD ARG 25 -3.410 -3.264 10.578 196 HE ARG 25 HE ARG 25 -4.584 -4.304 8.240 197 1HH1 ARG 25 1HH1 ARG 25 -5.393 -3.535 11.553 198 2HH1 ARG 25 2HH1 ARG 25 -7.072 -3.260 11.223 199 1HH2 ARG 25 1HH2 ARG 25 -6.808 -3.946 7.789 200 2HH2 ARG 25 2HH2 ARG 25 -7.880 -3.498 9.074 201 1HN NH2 26 1H ARG 25 -1.840 -3.704 5.298 202 2HN NH2 26 2H ARG 25 -2.346 -5.354 5.380 Start of MODEL 11 1 1H PHE 1 1HT PHE 1 1.547 10.377 8.787 2 2H PHE 1 2HT PHE 1 0.448 10.638 7.529 3 3H PHE 1 3HT PHE 1 1.154 11.955 8.320 4 HA PHE 1 HA PHE 1 2.905 11.943 7.003 5 1HB PHE 1 2HB PHE 1 2.926 8.986 7.630 6 2HB PHE 1 1HB PHE 1 4.128 9.732 6.586 7 HD1 PHE 1 1HD PHE 1 2.593 10.577 9.899 8 HD2 PHE 1 2HD PHE 1 6.139 10.029 7.610 9 HE1 PHE 1 1HE PHE 1 3.949 11.162 11.866 10 HE2 PHE 1 2HE PHE 1 7.501 10.613 9.573 11 HZ PHE 1 HZ PHE 1 6.407 11.179 11.705 12 HA PRO 2 HA PRO 2 0.927 11.231 3.095 13 1HB PRO 2 2HB PRO 2 2.885 12.135 1.468 14 2HB PRO 2 1HB PRO 2 1.901 13.221 2.456 15 1HG PRO 2 2HG PRO 2 4.662 12.185 2.956 16 2HG PRO 2 1HG PRO 2 4.019 13.819 3.197 17 1HD PRO 2 2HD PRO 2 4.337 12.023 5.222 18 2HD PRO 2 1HD PRO 2 3.096 13.290 5.230 19 H ARG 3 H ARG 3 0.972 9.776 1.365 20 HA ARG 3 HA ARG 3 3.242 8.189 0.732 21 1HB ARG 3 2HB ARG 3 2.388 6.013 1.467 22 2HB ARG 3 1HB ARG 3 2.660 7.082 2.835 23 1HG ARG 3 2HG ARG 3 0.211 7.588 2.820 24 2HG ARG 3 1HG ARG 3 0.024 6.325 1.599 25 1HD ARG 3 2HD ARG 3 1.023 4.701 3.154 26 2HD ARG 3 1HD ARG 3 1.158 5.965 4.373 27 HE ARG 3 HE ARG 3 -1.114 4.401 3.834 28 1HH1 ARG 3 1HH1 ARG 3 -0.257 7.720 4.569 29 2HH1 ARG 3 2HH1 ARG 3 -1.783 8.083 5.301 30 1HH2 ARG 3 1HH2 ARG 3 -3.120 4.874 4.821 31 2HH2 ARG 3 2HH2 ARG 3 -3.413 6.460 5.453 32 HA PRO 4 HA PRO 4 1.230 7.766 -3.140 33 1HB PRO 4 2HB PRO 4 1.838 4.851 -2.962 34 2HB PRO 4 1HB PRO 4 2.192 5.998 -4.260 35 1HG PRO 4 2HG PRO 4 4.116 5.188 -2.615 36 2HG PRO 4 1HG PRO 4 4.038 6.875 -3.160 37 1HD PRO 4 2HD PRO 4 3.302 5.698 -0.520 38 2HD PRO 4 1HD PRO 4 4.029 7.275 -0.893 39 H ARG 5 H ARG 5 -0.751 7.306 -3.970 40 HA ARG 5 HA ARG 5 -2.820 6.506 -2.260 41 1HB ARG 5 2HB ARG 5 -2.770 6.720 -5.270 42 2HB ARG 5 1HB ARG 5 -4.229 6.452 -4.328 43 1HG ARG 5 2HG ARG 5 -2.442 8.872 -4.267 44 2HG ARG 5 1HG ARG 5 -4.092 8.772 -4.883 45 1HD ARG 5 2HD ARG 5 -3.208 8.463 -2.015 46 2HD ARG 5 1HD ARG 5 -4.094 9.821 -2.704 47 HE ARG 5 HE ARG 5 -5.180 7.356 -1.773 48 1HH1 ARG 5 1HH1 ARG 5 -5.670 9.883 -4.159 49 2HH1 ARG 5 2HH1 ARG 5 -7.359 9.554 -4.341 50 1HH2 ARG 5 1HH2 ARG 5 -7.387 6.926 -2.007 51 2HH2 ARG 5 2HH2 ARG 5 -8.344 7.863 -3.110 52 H ILE 6 H ILE 6 -0.736 4.665 -4.301 53 HA ILE 6 HA ILE 6 -2.280 2.363 -4.716 54 HB ILE 6 HB ILE 6 0.704 2.472 -4.274 55 1HG1 ILE 6 2HG1 ILE 6 -0.833 2.781 -6.865 56 2HG1 ILE 6 1HG1 ILE 6 -0.058 4.099 -5.991 57 1HG2 ILE 6 1HG2 ILE 6 -0.362 0.218 -4.271 58 2HG2 ILE 6 2HG2 ILE 6 0.818 0.453 -5.562 59 3HG2 ILE 6 3HG2 ILE 6 -0.908 0.527 -5.919 60 1HD1 ILE 6 1HD1 ILE 6 2.117 2.949 -6.304 61 2HD1 ILE 6 2HD1 ILE 6 1.343 3.442 -7.810 62 3HD1 ILE 6 3HD1 ILE 6 1.291 1.754 -7.303 63 H CYS 7 H CYS 7 -0.364 3.462 -2.017 64 HA CYS 7 HA CYS 7 -0.226 1.139 -0.486 65 1HB CYS 7 2HB CYS 7 -0.418 4.033 0.354 66 2HB CYS 7 1HB CYS 7 -0.044 2.714 1.452 67 H ASN 8 H ASN 8 -2.833 3.345 -1.058 68 HA ASN 8 HA ASN 8 -4.495 2.720 1.135 69 1HB ASN 8 2HB ASN 8 -5.210 3.576 -1.678 70 2HB ASN 8 1HB ASN 8 -6.386 3.427 -0.379 71 1HD2 ASN 8 1HD2 ASN 8 -3.721 4.403 1.168 72 2HD2 ASN 8 2HD2 ASN 8 -3.926 6.116 1.090 73 H LEU 9 H LEU 9 -4.231 1.312 -2.086 74 HA LEU 9 HA LEU 9 -6.216 -0.687 -1.718 75 1HB LEU 9 2HB LEU 9 -3.918 -1.091 -3.576 76 2HB LEU 9 1HB LEU 9 -5.616 -1.456 -3.817 77 HG LEU 9 HG LEU 9 -4.455 1.324 -3.812 78 1HD1 LEU 9 1HD1 LEU 9 -4.033 -0.551 -5.740 79 2HD1 LEU 9 2HD1 LEU 9 -4.069 1.190 -6.019 80 3HD1 LEU 9 3HD1 LEU 9 -5.512 0.220 -6.314 81 1HD2 LEU 9 1HD2 LEU 9 -7.160 0.351 -4.726 82 2HD2 LEU 9 2HD2 LEU 9 -6.592 2.019 -4.673 83 3HD2 LEU 9 3HD2 LEU 9 -6.849 1.127 -3.173 84 H ALA 10 H ALA 10 -2.760 -0.495 -1.378 85 HA ALA 10 HA ALA 10 -2.120 -3.155 -0.895 86 1HB ALA 10 1HB ALA 10 -0.057 -2.421 -0.164 87 2HB ALA 10 2HB ALA 10 -0.722 -0.975 0.595 88 3HB ALA 10 3HB ALA 10 -0.600 -1.072 -1.162 89 H CYS 11 H CYS 11 -3.102 -0.655 1.459 90 HA CYS 11 HA CYS 11 -2.855 -2.332 3.734 91 1HB CYS 11 2HB CYS 11 -4.843 -0.062 3.474 92 2HB CYS 11 1HB CYS 11 -4.123 -0.687 4.943 93 H ARG 12 H ARG 12 -5.582 -1.559 1.610 94 HA ARG 12 HA ARG 12 -7.596 -2.895 2.999 95 1HB ARG 12 2HB ARG 12 -7.294 -2.326 0.055 96 2HB ARG 12 1HB ARG 12 -8.759 -2.985 0.769 97 1HG ARG 12 2HG ARG 12 -9.004 -0.994 2.142 98 2HG ARG 12 1HG ARG 12 -7.511 -0.336 1.470 99 1HD ARG 12 2HD ARG 12 -9.494 0.622 0.392 100 2HD ARG 12 1HD ARG 12 -8.500 -0.284 -0.747 101 HE ARG 12 HE ARG 12 -10.275 -1.654 -1.116 102 1HH1 ARG 12 1HH1 ARG 12 -10.792 -0.067 1.964 103 2HH1 ARG 12 2HH1 ARG 12 -12.340 -0.794 2.227 104 1HH2 ARG 12 1HH2 ARG 12 -12.324 -2.615 -0.774 105 2HH2 ARG 12 2HH2 ARG 12 -13.214 -2.247 0.664 106 H ALA 13 H ALA 13 -5.503 -4.087 0.397 107 HA ALA 13 HA ALA 13 -6.665 -6.729 0.572 108 1HB ALA 13 1HB ALA 13 -5.278 -7.313 -1.266 109 2HB ALA 13 2HB ALA 13 -4.224 -5.926 -0.993 110 3HB ALA 13 3HB ALA 13 -5.871 -5.680 -1.575 111 H GLY 14 H GLY 14 -4.644 -5.125 2.481 112 1HA GLY 14 2HA GLY 14 -3.166 -5.713 4.134 113 2HA GLY 14 1HA GLY 14 -3.740 -7.348 3.920 114 H ILE 15 H ILE 15 -2.415 -5.760 1.219 115 HA ILE 15 HA ILE 15 -0.203 -7.637 1.232 116 HB ILE 15 HB ILE 15 0.273 -6.713 -1.064 117 1HG1 ILE 15 2HG1 ILE 15 -2.384 -5.338 -0.604 118 2HG1 ILE 15 1HG1 ILE 15 -0.827 -4.538 -0.791 119 1HG2 ILE 15 1HG2 ILE 15 -0.843 -8.778 -0.941 120 2HG2 ILE 15 2HG2 ILE 15 -1.791 -7.803 -2.064 121 3HG2 ILE 15 3HG2 ILE 15 -2.345 -8.027 -0.405 122 1HD1 ILE 15 1HD1 ILE 15 -1.526 -4.308 -2.910 123 2HD1 ILE 15 2HD1 ILE 15 -2.627 -5.684 -2.812 124 3HD1 ILE 15 3HD1 ILE 15 -0.903 -5.950 -3.074 125 H GLY 16 H GLY 16 -0.473 -5.222 2.973 126 1HA GLY 16 2HA GLY 16 1.455 -3.284 2.250 127 2HA GLY 16 1HA GLY 16 0.950 -3.654 3.894 128 H HIS 17 H HIS 17 1.739 -6.457 3.653 129 HA HIS 17 HA HIS 17 4.476 -6.175 4.452 130 1HB HIS 17 2HB HIS 17 2.747 -7.816 5.404 131 2HB HIS 17 1HB HIS 17 3.022 -8.775 3.957 132 HD1 HIS 17 1HD HIS 17 5.948 -9.018 3.679 133 HD2 HIS 17 2HD HIS 17 4.135 -8.912 7.421 134 HE1 HIS 17 1HE HIS 17 7.568 -10.129 5.246 135 H LYS 18 H LYS 18 2.806 -6.947 1.558 136 HA LYS 18 HA LYS 18 5.100 -8.196 0.305 137 1HB LYS 18 2HB LYS 18 2.252 -7.793 -0.420 138 2HB LYS 18 1HB LYS 18 3.406 -7.950 -1.738 139 1HG LYS 18 2HG LYS 18 3.008 -9.934 0.491 140 2HG LYS 18 1HG LYS 18 2.388 -10.087 -1.152 141 1HD LYS 18 2HD LYS 18 5.319 -9.835 -0.485 142 2HD LYS 18 1HD LYS 18 4.492 -11.379 -0.681 143 1HE LYS 18 2HE LYS 18 5.486 -10.980 -2.762 144 2HE LYS 18 1HE LYS 18 3.801 -10.520 -2.987 145 1HZ LYS 18 1HZ LYS 18 5.798 -8.993 -3.761 146 2HZ LYS 18 2HZ LYS 18 5.662 -8.414 -2.178 147 3HZ LYS 18 3HZ LYS 18 4.332 -8.343 -3.221 148 H TYR 19 H TYR 19 3.533 -5.075 0.342 149 HA TYR 19 HA TYR 19 5.153 -4.180 -1.924 150 1HB TYR 19 2HB TYR 19 2.823 -2.993 -0.442 151 2HB TYR 19 1HB TYR 19 3.818 -2.003 -1.503 152 HD1 TYR 19 1HD TYR 19 2.177 -1.495 -3.141 153 HD2 TYR 19 2HD TYR 19 2.958 -5.551 -2.124 154 HE1 TYR 19 1HE TYR 19 0.866 -2.230 -5.085 155 HE2 TYR 19 2HE TYR 19 1.648 -6.296 -4.063 156 HH TYR 19 HH TYR 19 0.311 -3.986 -6.376 157 HA PRO 20 HA PRO 20 8.224 -2.782 1.061 158 1HB PRO 20 2HB PRO 20 9.440 -1.697 -1.413 159 2HB PRO 20 1HB PRO 20 10.139 -2.761 -0.188 160 1HG PRO 20 2HG PRO 20 9.452 -3.696 -2.593 161 2HG PRO 20 1HG PRO 20 9.220 -4.667 -1.128 162 1HD PRO 20 2HD PRO 20 7.211 -3.120 -2.718 163 2HD PRO 20 1HD PRO 20 7.054 -4.713 -1.948 164 H PHE 21 H PHE 21 7.125 -0.785 -1.666 165 HA PHE 21 HA PHE 21 7.692 1.663 -0.266 166 1HB PHE 21 2HB PHE 21 6.576 2.709 -2.293 167 2HB PHE 21 1HB PHE 21 8.028 1.766 -2.603 168 HD1 PHE 21 1HD PHE 21 4.312 1.380 -2.534 169 HD2 PHE 21 2HD PHE 21 8.007 0.227 -4.303 170 HE1 PHE 21 1HE PHE 21 3.094 0.040 -4.198 171 HE2 PHE 21 2HE PHE 21 6.793 -1.114 -5.971 172 HZ PHE 21 HZ PHE 21 4.333 -1.208 -5.920 173 H CYS 22 H CYS 22 5.354 -0.519 0.196 174 HA CYS 22 HA CYS 22 3.559 1.478 1.327 175 1HB CYS 22 2HB CYS 22 2.713 -0.592 -0.703 176 2HB CYS 22 1HB CYS 22 1.578 0.094 0.451 177 H HIS 23 H HIS 23 5.201 0.222 2.832 178 HA HIS 23 HA HIS 23 4.469 -2.383 3.683 179 1HB HIS 23 2HB HIS 23 6.735 -1.221 3.940 180 2HB HIS 23 1HB HIS 23 6.027 -0.398 5.328 181 HD1 HIS 23 1HD HIS 23 6.072 -4.033 4.193 182 HD2 HIS 23 2HD HIS 23 6.777 -1.708 7.565 183 HE1 HIS 23 1HE HIS 23 6.706 -5.654 6.008 184 H CYS 24 H CYS 24 2.171 -1.258 3.647 185 HA CYS 24 HA CYS 24 1.327 -0.043 6.102 186 1HB CYS 24 2HB CYS 24 0.334 0.230 3.754 187 2HB CYS 24 1HB CYS 24 -0.426 -1.333 4.024 188 H ARG 25 H ARG 25 -0.748 -1.104 7.099 189 HA ARG 25 HA ARG 25 -0.743 -3.967 7.271 190 1HB ARG 25 2HB ARG 25 1.210 -3.315 8.712 191 2HB ARG 25 1HB ARG 25 0.094 -2.423 9.735 192 1HG ARG 25 2HG ARG 25 -1.127 -4.553 10.148 193 2HG ARG 25 1HG ARG 25 0.144 -5.394 9.258 194 1HD ARG 25 2HD ARG 25 0.537 -5.507 11.662 195 2HD ARG 25 1HD ARG 25 1.805 -4.586 10.856 196 HE ARG 25 HE ARG 25 1.229 -2.800 12.133 197 1HH1 ARG 25 1HH1 ARG 25 -1.530 -4.956 12.036 198 2HH1 ARG 25 2HH1 ARG 25 -2.499 -3.975 13.083 199 1HH2 ARG 25 1HH2 ARG 25 -0.045 -1.506 13.527 200 2HH2 ARG 25 2HH2 ARG 25 -1.651 -2.008 13.934 201 1HN NH2 26 1H ARG 25 -3.971 -2.377 7.645 202 2HN NH2 26 2H ARG 25 -2.917 -3.220 6.566 Start of MODEL 12 1 1H PHE 1 1HT PHE 1 1.598 15.325 4.587 2 2H PHE 1 2HT PHE 1 1.136 14.885 3.021 3 3H PHE 1 3HT PHE 1 2.075 16.270 3.268 4 HA PHE 1 HA PHE 1 3.971 15.145 3.322 5 1HB PHE 1 2HB PHE 1 2.400 13.148 4.966 6 2HB PHE 1 1HB PHE 1 4.088 12.903 4.539 7 HD1 PHE 1 1HD PHE 1 2.033 15.719 5.913 8 HD2 PHE 1 2HD PHE 1 5.549 13.344 6.226 9 HE1 PHE 1 1HE PHE 1 2.727 17.014 7.886 10 HE2 PHE 1 2HE PHE 1 6.249 14.633 8.200 11 HZ PHE 1 HZ PHE 1 4.837 16.470 9.033 12 HA PRO 2 HA PRO 2 3.362 12.848 -0.416 13 1HB PRO 2 2HB PRO 2 6.128 11.896 -0.120 14 2HB PRO 2 1HB PRO 2 5.425 12.921 -1.374 15 1HG PRO 2 2HG PRO 2 7.130 13.895 0.463 16 2HG PRO 2 1HG PRO 2 5.786 14.859 -0.176 17 1HD PRO 2 2HD PRO 2 5.998 13.400 2.431 18 2HD PRO 2 1HD PRO 2 5.324 15.009 2.093 19 H ARG 3 H ARG 3 2.671 10.840 -0.903 20 HA ARG 3 HA ARG 3 3.764 8.471 0.235 21 1HB ARG 3 2HB ARG 3 1.728 7.721 1.420 22 2HB ARG 3 1HB ARG 3 2.452 9.135 2.173 23 1HG ARG 3 2HG ARG 3 0.772 10.566 1.205 24 2HG ARG 3 1HG ARG 3 0.093 9.212 0.302 25 1HD ARG 3 2HD ARG 3 0.202 9.445 3.307 26 2HD ARG 3 1HD ARG 3 -1.222 9.728 2.305 27 HE ARG 3 HE ARG 3 -0.202 7.157 1.780 28 1HH1 ARG 3 1HH1 ARG 3 -1.865 8.941 4.284 29 2HH1 ARG 3 2HH1 ARG 3 -2.656 7.549 4.940 30 1HH2 ARG 3 1HH2 ARG 3 -1.242 5.303 2.641 31 2HH2 ARG 3 2HH2 ARG 3 -2.302 5.468 4.000 32 HA PRO 4 HA PRO 4 2.131 7.046 -3.611 33 1HB PRO 4 2HB PRO 4 2.228 4.341 -2.439 34 2HB PRO 4 1HB PRO 4 3.090 4.990 -3.838 35 1HG PRO 4 2HG PRO 4 4.353 4.465 -1.531 36 2HG PRO 4 1HG PRO 4 4.808 5.843 -2.551 37 1HD PRO 4 2HD PRO 4 3.172 5.798 -0.041 38 2HD PRO 4 1HD PRO 4 4.413 6.960 -0.558 39 H ARG 5 H ARG 5 0.120 6.818 -4.369 40 HA ARG 5 HA ARG 5 -2.098 6.588 -2.615 41 1HB ARG 5 2HB ARG 5 -1.950 6.466 -5.632 42 2HB ARG 5 1HB ARG 5 -3.451 6.523 -4.717 43 1HG ARG 5 2HG ARG 5 -2.762 8.693 -3.775 44 2HG ARG 5 1HG ARG 5 -1.307 8.638 -4.770 45 1HD ARG 5 2HD ARG 5 -2.691 8.590 -6.788 46 2HD ARG 5 1HD ARG 5 -4.147 8.633 -5.795 47 HE ARG 5 HE ARG 5 -2.537 10.844 -6.559 48 1HH1 ARG 5 1HH1 ARG 5 -4.545 9.646 -3.948 49 2HH1 ARG 5 2HH1 ARG 5 -4.865 11.219 -3.299 50 1HH2 ARG 5 1HH2 ARG 5 -2.958 12.924 -5.704 51 2HH2 ARG 5 2HH2 ARG 5 -3.960 13.088 -4.300 52 H ILE 6 H ILE 6 -0.223 4.330 -4.397 53 HA ILE 6 HA ILE 6 -1.988 2.179 -4.686 54 HB ILE 6 HB ILE 6 0.959 2.005 -4.087 55 1HG1 ILE 6 2HG1 ILE 6 0.574 3.570 -5.935 56 2HG1 ILE 6 1HG1 ILE 6 1.319 2.087 -6.522 57 1HG2 ILE 6 1HG2 ILE 6 -0.411 -0.105 -4.029 58 2HG2 ILE 6 2HG2 ILE 6 0.936 -0.105 -5.169 59 3HG2 ILE 6 3HG2 ILE 6 -0.712 0.137 -5.750 60 1HD1 ILE 6 1HD1 ILE 6 -1.567 2.894 -6.777 61 2HD1 ILE 6 2HD1 ILE 6 -0.930 1.315 -7.237 62 3HD1 ILE 6 3HD1 ILE 6 -0.370 2.768 -8.065 63 H CYS 7 H CYS 7 -0.164 3.336 -1.950 64 HA CYS 7 HA CYS 7 -0.172 1.162 -0.252 65 1HB CYS 7 2HB CYS 7 -0.489 4.096 0.374 66 2HB CYS 7 1HB CYS 7 -0.194 2.863 1.588 67 H ASN 8 H ASN 8 -2.772 3.256 -1.158 68 HA ASN 8 HA ASN 8 -4.588 2.776 0.931 69 1HB ASN 8 2HB ASN 8 -4.849 4.483 -0.893 70 2HB ASN 8 1HB ASN 8 -5.291 3.178 -1.980 71 1HD2 ASN 8 1HD2 ASN 8 -7.388 3.101 -2.298 72 2HD2 ASN 8 2HD2 ASN 8 -8.610 3.399 -1.114 73 H LEU 9 H LEU 9 -4.365 1.205 -2.239 74 HA LEU 9 HA LEU 9 -6.244 -0.822 -1.576 75 1HB LEU 9 2HB LEU 9 -5.564 -1.902 -3.673 76 2HB LEU 9 1HB LEU 9 -5.941 -0.207 -3.887 77 HG LEU 9 HG LEU 9 -3.296 0.018 -3.606 78 1HD1 LEU 9 1HD1 LEU 9 -3.439 -2.562 -5.107 79 2HD1 LEU 9 2HD1 LEU 9 -3.257 -2.563 -3.353 80 3HD1 LEU 9 3HD1 LEU 9 -2.049 -1.770 -4.365 81 1HD2 LEU 9 1HD2 LEU 9 -5.005 0.489 -5.563 82 2HD2 LEU 9 2HD2 LEU 9 -4.204 -0.913 -6.275 83 3HD2 LEU 9 3HD2 LEU 9 -3.262 0.511 -5.830 84 H ALA 10 H ALA 10 -2.816 -0.481 -1.264 85 HA ALA 10 HA ALA 10 -2.093 -3.169 -0.896 86 1HB ALA 10 1HB ALA 10 -0.289 -1.939 0.653 87 2HB ALA 10 2HB ALA 10 -0.888 -0.548 -0.251 88 3HB ALA 10 3HB ALA 10 -0.210 -1.931 -1.109 89 H CYS 11 H CYS 11 -3.079 -0.688 1.462 90 HA CYS 11 HA CYS 11 -2.868 -2.387 3.728 91 1HB CYS 11 2HB CYS 11 -4.626 0.059 3.360 92 2HB CYS 11 1HB CYS 11 -4.228 -0.695 4.894 93 H ARG 12 H ARG 12 -5.520 -1.532 1.556 94 HA ARG 12 HA ARG 12 -7.612 -2.759 2.932 95 1HB ARG 12 2HB ARG 12 -7.988 -1.209 1.094 96 2HB ARG 12 1HB ARG 12 -7.274 -2.347 -0.039 97 1HG ARG 12 2HG ARG 12 -9.704 -2.357 -0.176 98 2HG ARG 12 1HG ARG 12 -9.086 -3.919 0.367 99 1HD ARG 12 2HD ARG 12 -9.554 -3.215 2.710 100 2HD ARG 12 1HD ARG 12 -10.309 -1.754 2.076 101 HE ARG 12 HE ARG 12 -11.453 -4.358 2.218 102 1HH1 ARG 12 1HH1 ARG 12 -11.467 -1.400 0.343 103 2HH1 ARG 12 2HH1 ARG 12 -13.034 -1.683 -0.336 104 1HH2 ARG 12 1HH2 ARG 12 -13.526 -4.736 1.326 105 2HH2 ARG 12 2HH2 ARG 12 -14.211 -3.585 0.227 106 H ALA 13 H ALA 13 -5.467 -4.099 0.445 107 HA ALA 13 HA ALA 13 -6.743 -6.695 0.686 108 1HB ALA 13 1HB ALA 13 -5.644 -7.307 -1.238 109 2HB ALA 13 2HB ALA 13 -4.255 -6.275 -0.900 110 3HB ALA 13 3HB ALA 13 -5.766 -5.562 -1.466 111 H GLY 14 H GLY 14 -4.643 -5.095 2.514 112 1HA GLY 14 2HA GLY 14 -3.180 -5.693 4.179 113 2HA GLY 14 1HA GLY 14 -3.772 -7.325 3.981 114 H ILE 15 H ILE 15 -2.481 -5.820 1.234 115 HA ILE 15 HA ILE 15 -0.245 -7.674 1.263 116 HB ILE 15 HB ILE 15 0.164 -6.825 -1.074 117 1HG1 ILE 15 2HG1 ILE 15 -2.485 -5.441 -0.590 118 2HG1 ILE 15 1HG1 ILE 15 -0.937 -4.646 -0.849 119 1HG2 ILE 15 1HG2 ILE 15 -2.639 -7.825 -0.912 120 2HG2 ILE 15 2HG2 ILE 15 -1.328 -8.820 -0.282 121 3HG2 ILE 15 3HG2 ILE 15 -1.323 -8.325 -1.974 122 1HD1 ILE 15 1HD1 ILE 15 -2.327 -4.598 -2.845 123 2HD1 ILE 15 2HD1 ILE 15 -2.386 -6.361 -2.853 124 3HD1 ILE 15 3HD1 ILE 15 -0.853 -5.529 -3.112 125 H GLY 16 H GLY 16 -0.524 -5.226 2.934 126 1HA GLY 16 2HA GLY 16 1.329 -3.263 2.101 127 2HA GLY 16 1HA GLY 16 0.859 -3.584 3.766 128 H HIS 17 H HIS 17 1.749 -6.358 3.663 129 HA HIS 17 HA HIS 17 4.480 -5.909 4.383 130 1HB HIS 17 2HB HIS 17 2.823 -8.427 4.211 131 2HB HIS 17 1HB HIS 17 4.509 -8.423 4.714 132 HD1 HIS 17 1HD HIS 17 2.899 -9.511 6.823 133 HD2 HIS 17 2HD HIS 17 3.163 -5.390 6.337 134 HE1 HIS 17 1HE HIS 17 2.255 -8.527 9.045 135 H LYS 18 H LYS 18 2.822 -6.948 1.572 136 HA LYS 18 HA LYS 18 5.117 -8.162 0.324 137 1HB LYS 18 2HB LYS 18 2.946 -9.062 -0.200 138 2HB LYS 18 1HB LYS 18 2.356 -7.481 -0.692 139 1HG LYS 18 2HG LYS 18 3.920 -7.494 -2.579 140 2HG LYS 18 1HG LYS 18 4.474 -9.098 -2.094 141 1HD LYS 18 2HD LYS 18 2.293 -10.030 -2.494 142 2HD LYS 18 1HD LYS 18 1.623 -8.427 -2.807 143 1HE LYS 18 2HE LYS 18 2.052 -9.685 -4.878 144 2HE LYS 18 1HE LYS 18 2.998 -8.200 -4.784 145 1HZ LYS 18 1HZ LYS 18 4.936 -9.416 -4.255 146 2HZ LYS 18 2HZ LYS 18 4.228 -10.215 -5.566 147 3HZ LYS 18 3HZ LYS 18 4.073 -10.850 -4.006 148 H TYR 19 H TYR 19 3.452 -5.069 0.230 149 HA TYR 19 HA TYR 19 5.108 -4.150 -1.980 150 1HB TYR 19 2HB TYR 19 2.806 -2.937 -0.472 151 2HB TYR 19 1HB TYR 19 3.777 -1.982 -1.586 152 HD1 TYR 19 1HD TYR 19 2.841 -5.542 -2.046 153 HD2 TYR 19 2HD TYR 19 2.144 -1.519 -3.235 154 HE1 TYR 19 1HE TYR 19 1.482 -6.343 -3.926 155 HE2 TYR 19 2HE TYR 19 0.779 -2.311 -5.121 156 HH TYR 19 HH TYR 19 -0.218 -4.094 -6.056 157 HA PRO 20 HA PRO 20 8.228 -2.787 0.965 158 1HB PRO 20 2HB PRO 20 9.380 -1.658 -1.522 159 2HB PRO 20 1HB PRO 20 10.118 -2.724 -0.323 160 1HG PRO 20 2HG PRO 20 9.390 -3.650 -2.716 161 2HG PRO 20 1HG PRO 20 9.187 -4.632 -1.252 162 1HD PRO 20 2HD PRO 20 7.143 -3.088 -2.799 163 2HD PRO 20 1HD PRO 20 7.007 -4.683 -2.030 164 H PHE 21 H PHE 21 7.063 -0.724 -1.689 165 HA PHE 21 HA PHE 21 7.699 1.693 -0.272 166 1HB PHE 21 2HB PHE 21 6.476 2.780 -2.216 167 2HB PHE 21 1HB PHE 21 7.905 1.840 -2.620 168 HD1 PHE 21 1HD PHE 21 4.197 1.476 -2.370 169 HD2 PHE 21 2HD PHE 21 7.789 0.320 -4.336 170 HE1 PHE 21 1HE PHE 21 2.885 0.171 -3.990 171 HE2 PHE 21 2HE PHE 21 6.482 -0.987 -5.959 172 HZ PHE 21 HZ PHE 21 4.028 -1.061 -5.788 173 H CYS 22 H CYS 22 5.362 -0.486 0.251 174 HA CYS 22 HA CYS 22 3.664 1.473 1.573 175 1HB CYS 22 2HB CYS 22 2.641 -0.494 -0.487 176 2HB CYS 22 1HB CYS 22 1.601 0.253 0.718 177 H HIS 23 H HIS 23 5.312 0.139 2.950 178 HA HIS 23 HA HIS 23 4.703 -2.526 3.646 179 1HB HIS 23 2HB HIS 23 6.896 -1.239 3.988 180 2HB HIS 23 1HB HIS 23 6.145 -0.583 5.437 181 HD1 HIS 23 1HD HIS 23 8.404 -1.979 6.339 182 HD2 HIS 23 2HD HIS 23 5.039 -4.152 5.231 183 HE1 HIS 23 1HE HIS 23 8.670 -4.229 7.427 184 H CYS 24 H CYS 24 2.337 -1.561 3.700 185 HA CYS 24 HA CYS 24 1.433 -0.600 6.259 186 1HB CYS 24 2HB CYS 24 0.422 -0.194 3.920 187 2HB CYS 24 1HB CYS 24 -0.273 -1.800 4.094 188 H ARG 25 H ARG 25 -0.782 -1.968 6.769 189 HA ARG 25 HA ARG 25 0.165 -4.281 8.140 190 1HB ARG 25 2HB ARG 25 -2.665 -3.297 7.724 191 2HB ARG 25 1HB ARG 25 -2.172 -4.530 8.877 192 1HG ARG 25 2HG ARG 25 -0.834 -2.897 10.081 193 2HG ARG 25 1HG ARG 25 -1.270 -1.657 8.906 194 1HD ARG 25 2HD ARG 25 -3.628 -1.904 9.529 195 2HD ARG 25 1HD ARG 25 -3.184 -3.136 10.710 196 HE ARG 25 HE ARG 25 -2.620 -1.473 12.153 197 1HH1 ARG 25 1HH1 ARG 25 -2.636 -0.115 8.922 198 2HH1 ARG 25 2HH1 ARG 25 -2.268 1.490 9.454 199 1HH2 ARG 25 1HH2 ARG 25 -2.134 0.648 12.859 200 2HH2 ARG 25 2HH2 ARG 25 -1.984 1.926 11.699 201 1HN NH2 26 1H ARG 25 -1.175 -6.374 7.992 202 2HN NH2 26 2H ARG 25 -1.653 -6.931 6.427 Start of MODEL 13 1 1H PHE 1 1HT PHE 1 3.502 17.218 0.479 2 2H PHE 1 2HT PHE 1 2.613 16.897 1.882 3 3H PHE 1 3HT PHE 1 2.192 16.147 0.425 4 HA PHE 1 HA PHE 1 4.914 15.685 1.225 5 1HB PHE 1 2HB PHE 1 3.790 15.747 3.423 6 2HB PHE 1 1HB PHE 1 2.590 14.597 2.844 7 HD1 PHE 1 1HD PHE 1 6.319 14.850 2.993 8 HD2 PHE 1 2HD PHE 1 2.852 12.448 3.569 9 HE1 PHE 1 1HE PHE 1 7.738 12.990 3.754 10 HE2 PHE 1 2HE PHE 1 4.265 10.585 4.331 11 HZ PHE 1 HZ PHE 1 6.712 10.854 4.425 12 HA PRO 2 HA PRO 2 3.824 12.800 -2.011 13 1HB PRO 2 2HB PRO 2 6.188 11.454 -2.086 14 2HB PRO 2 1HB PRO 2 5.962 13.048 -2.813 15 1HG PRO 2 2HG PRO 2 7.197 12.318 -0.190 16 2HG PRO 2 1HG PRO 2 7.726 13.519 -1.382 17 1HD PRO 2 2HD PRO 2 6.380 14.184 0.877 18 2HD PRO 2 1HD PRO 2 6.229 15.101 -0.635 19 H ARG 3 H ARG 3 2.874 10.842 -1.987 20 HA ARG 3 HA ARG 3 3.722 8.725 -0.251 21 1HB ARG 3 2HB ARG 3 2.279 10.313 1.180 22 2HB ARG 3 1HB ARG 3 0.924 9.762 0.207 23 1HG ARG 3 2HG ARG 3 2.640 7.710 1.494 24 2HG ARG 3 1HG ARG 3 1.544 8.640 2.513 25 1HD ARG 3 2HD ARG 3 0.718 7.117 0.045 26 2HD ARG 3 1HD ARG 3 0.583 6.502 1.692 27 HE ARG 3 HE ARG 3 -0.709 9.024 1.412 28 1HH1 ARG 3 1HH1 ARG 3 -1.086 5.622 0.719 29 2HH1 ARG 3 2HH1 ARG 3 -2.824 5.665 0.774 30 1HH2 ARG 3 1HH2 ARG 3 -3.010 9.093 1.461 31 2HH2 ARG 3 2HH2 ARG 3 -3.911 7.634 1.189 32 HA PRO 4 HA PRO 4 2.210 6.726 -3.914 33 1HB PRO 4 2HB PRO 4 2.305 4.296 -2.224 34 2HB PRO 4 1HB PRO 4 3.095 4.626 -3.769 35 1HG PRO 4 2HG PRO 4 4.490 4.589 -1.493 36 2HG PRO 4 1HG PRO 4 4.859 5.756 -2.777 37 1HD PRO 4 2HD PRO 4 3.376 6.164 -0.211 38 2HD PRO 4 1HD PRO 4 4.539 7.232 -1.023 39 H ARG 5 H ARG 5 0.201 6.622 -4.599 40 HA ARG 5 HA ARG 5 -2.036 6.493 -2.851 41 1HB ARG 5 2HB ARG 5 -3.389 6.482 -4.914 42 2HB ARG 5 1HB ARG 5 -2.166 7.744 -4.933 43 1HG ARG 5 2HG ARG 5 -0.755 6.343 -6.367 44 2HG ARG 5 1HG ARG 5 -2.007 5.101 -6.366 45 1HD ARG 5 2HD ARG 5 -2.346 7.922 -7.383 46 2HD ARG 5 1HD ARG 5 -2.058 6.507 -8.393 47 HE ARG 5 HE ARG 5 -4.307 5.995 -6.822 48 1HH1 ARG 5 1HH1 ARG 5 -3.333 8.148 -9.402 49 2HH1 ARG 5 2HH1 ARG 5 -4.930 8.307 -10.055 50 1HH2 ARG 5 1HH2 ARG 5 -6.429 6.199 -7.680 51 2HH2 ARG 5 2HH2 ARG 5 -6.697 7.196 -9.071 52 H ILE 6 H ILE 6 -0.112 4.154 -4.386 53 HA ILE 6 HA ILE 6 -1.939 2.030 -4.690 54 HB ILE 6 HB ILE 6 0.996 1.795 -4.057 55 1HG1 ILE 6 2HG1 ILE 6 -0.311 2.128 -6.770 56 2HG1 ILE 6 1HG1 ILE 6 0.597 3.380 -5.928 57 1HG2 ILE 6 1HG2 ILE 6 -0.288 -0.053 -5.949 58 2HG2 ILE 6 2HG2 ILE 6 -0.847 -0.178 -4.281 59 3HG2 ILE 6 3HG2 ILE 6 0.866 -0.373 -4.654 60 1HD1 ILE 6 1HD1 ILE 6 2.084 0.897 -6.231 61 2HD1 ILE 6 2HD1 ILE 6 2.549 2.557 -6.606 62 3HD1 ILE 6 3HD1 ILE 6 1.604 1.621 -7.765 63 H CYS 7 H CYS 7 -0.068 3.221 -1.997 64 HA CYS 7 HA CYS 7 -0.144 1.111 -0.225 65 1HB CYS 7 2HB CYS 7 -0.420 4.064 0.339 66 2HB CYS 7 1HB CYS 7 -0.095 2.848 1.559 67 H ASN 8 H ASN 8 -2.684 3.273 -1.174 68 HA ASN 8 HA ASN 8 -4.485 2.853 0.946 69 1HB ASN 8 2HB ASN 8 -5.092 3.455 -1.957 70 2HB ASN 8 1HB ASN 8 -6.259 3.550 -0.644 71 1HD2 ASN 8 1HD2 ASN 8 -4.743 5.461 -2.577 72 2HD2 ASN 8 2HD2 ASN 8 -4.338 6.785 -1.543 73 H LEU 9 H LEU 9 -4.238 1.183 -2.191 74 HA LEU 9 HA LEU 9 -6.251 -0.717 -1.471 75 1HB LEU 9 2HB LEU 9 -5.643 -1.870 -3.558 76 2HB LEU 9 1HB LEU 9 -5.986 -0.170 -3.799 77 HG LEU 9 HG LEU 9 -3.326 -0.011 -3.574 78 1HD1 LEU 9 1HD1 LEU 9 -2.144 -1.845 -4.298 79 2HD1 LEU 9 2HD1 LEU 9 -3.551 -2.588 -5.058 80 3HD1 LEU 9 3HD1 LEU 9 -3.386 -2.605 -3.302 81 1HD2 LEU 9 1HD2 LEU 9 -3.423 -0.509 -6.181 82 2HD2 LEU 9 2HD2 LEU 9 -4.134 0.939 -5.469 83 3HD2 LEU 9 3HD2 LEU 9 -5.156 -0.443 -5.863 84 H ALA 10 H ALA 10 -2.812 -0.496 -1.229 85 HA ALA 10 HA ALA 10 -2.148 -3.185 -0.848 86 1HB ALA 10 1HB ALA 10 -0.473 -1.447 -1.208 87 2HB ALA 10 2HB ALA 10 -0.132 -2.362 0.260 88 3HB ALA 10 3HB ALA 10 -0.844 -0.753 0.369 89 H CYS 11 H CYS 11 -3.106 -0.697 1.512 90 HA CYS 11 HA CYS 11 -2.868 -2.361 3.791 91 1HB CYS 11 2HB CYS 11 -4.736 -0.002 3.414 92 2HB CYS 11 1HB CYS 11 -4.257 -0.704 4.949 93 H ARG 12 H ARG 12 -5.567 -1.587 1.650 94 HA ARG 12 HA ARG 12 -7.606 -2.881 3.044 95 1HB ARG 12 2HB ARG 12 -8.019 -1.311 1.217 96 2HB ARG 12 1HB ARG 12 -7.327 -2.447 0.068 97 1HG ARG 12 2HG ARG 12 -9.127 -4.038 0.584 98 2HG ARG 12 1HG ARG 12 -9.832 -2.858 1.690 99 1HD ARG 12 2HD ARG 12 -9.402 -2.458 -1.268 100 2HD ARG 12 1HD ARG 12 -10.940 -2.850 -0.502 101 HE ARG 12 HE ARG 12 -9.919 -0.532 0.694 102 1HH1 ARG 12 1HH1 ARG 12 -11.194 -1.595 -2.382 103 2HH1 ARG 12 2HH1 ARG 12 -11.820 -0.039 -2.815 104 1HH2 ARG 12 1HH2 ARG 12 -10.741 1.538 0.132 105 2HH2 ARG 12 2HH2 ARG 12 -11.562 1.750 -1.378 106 H ALA 13 H ALA 13 -5.550 -4.132 0.427 107 HA ALA 13 HA ALA 13 -6.746 -6.756 0.671 108 1HB ALA 13 1HB ALA 13 -5.917 -5.623 -1.494 109 2HB ALA 13 2HB ALA 13 -5.607 -7.343 -1.263 110 3HB ALA 13 3HB ALA 13 -4.322 -6.170 -0.978 111 H GLY 14 H GLY 14 -4.653 -5.192 2.519 112 1HA GLY 14 2HA GLY 14 -3.123 -5.816 4.113 113 2HA GLY 14 1HA GLY 14 -3.715 -7.444 3.891 114 H ILE 15 H ILE 15 -2.475 -5.815 1.180 115 HA ILE 15 HA ILE 15 -0.226 -7.666 1.118 116 HB ILE 15 HB ILE 15 0.119 -6.799 -1.219 117 1HG1 ILE 15 2HG1 ILE 15 -2.538 -5.449 -0.686 118 2HG1 ILE 15 1HG1 ILE 15 -0.999 -4.629 -0.929 119 1HG2 ILE 15 1HG2 ILE 15 -2.237 -7.814 -1.952 120 2HG2 ILE 15 2HG2 ILE 15 -2.239 -8.307 -0.260 121 3HG2 ILE 15 3HG2 ILE 15 -0.923 -8.808 -1.324 122 1HD1 ILE 15 1HD1 ILE 15 -2.742 -6.012 -2.906 123 2HD1 ILE 15 2HD1 ILE 15 -1.008 -5.891 -3.205 124 3HD1 ILE 15 3HD1 ILE 15 -1.970 -4.428 -2.992 125 H GLY 16 H GLY 16 -0.604 -5.160 2.744 126 1HA GLY 16 2HA GLY 16 1.232 -3.194 1.907 127 2HA GLY 16 1HA GLY 16 0.758 -3.497 3.575 128 H HIS 17 H HIS 17 1.672 -6.040 3.956 129 HA HIS 17 HA HIS 17 4.414 -5.589 4.443 130 1HB HIS 17 2HB HIS 17 4.481 -7.951 5.204 131 2HB HIS 17 1HB HIS 17 3.182 -7.023 5.936 132 HD1 HIS 17 1HD HIS 17 2.581 -9.756 6.311 133 HD2 HIS 17 2HD HIS 17 1.837 -8.041 2.598 134 HE1 HIS 17 1HE HIS 17 0.909 -11.264 5.194 135 H LYS 18 H LYS 18 2.816 -6.617 1.653 136 HA LYS 18 HA LYS 18 5.116 -8.061 0.616 137 1HB LYS 18 2HB LYS 18 2.322 -7.625 -0.375 138 2HB LYS 18 1HB LYS 18 3.580 -8.161 -1.479 139 1HG LYS 18 2HG LYS 18 2.651 -9.571 1.013 140 2HG LYS 18 1HG LYS 18 2.369 -10.066 -0.658 141 1HD LYS 18 2HD LYS 18 5.053 -9.878 0.712 142 2HD LYS 18 1HD LYS 18 4.179 -11.365 0.344 143 1HE LYS 18 2HE LYS 18 4.404 -10.985 -2.013 144 2HE LYS 18 1HE LYS 18 5.073 -9.377 -1.740 145 1HZ LYS 18 1HZ LYS 18 6.757 -11.075 -2.283 146 2HZ LYS 18 2HZ LYS 18 6.371 -11.895 -0.855 147 3HZ LYS 18 3HZ LYS 18 7.025 -10.337 -0.785 148 H TYR 19 H TYR 19 3.469 -4.990 0.234 149 HA TYR 19 HA TYR 19 5.170 -4.251 -2.010 150 1HB TYR 19 2HB TYR 19 2.893 -2.895 -0.587 151 2HB TYR 19 1HB TYR 19 3.900 -2.021 -1.735 152 HD1 TYR 19 1HD TYR 19 2.737 -5.554 -1.963 153 HD2 TYR 19 2HD TYR 19 2.415 -1.598 -3.489 154 HE1 TYR 19 1HE TYR 19 1.360 -6.388 -3.818 155 HE2 TYR 19 2HE TYR 19 1.036 -2.421 -5.347 156 HH TYR 19 HH TYR 19 0.896 -5.050 -6.511 157 HA PRO 20 HA PRO 20 8.356 -2.834 0.809 158 1HB PRO 20 2HB PRO 20 9.783 -1.559 -1.210 159 2HB PRO 20 1HB PRO 20 9.977 -3.244 -0.720 160 1HG PRO 20 2HG PRO 20 8.428 -2.096 -2.996 161 2HG PRO 20 1HG PRO 20 9.381 -3.590 -2.924 162 1HD PRO 20 2HD PRO 20 6.703 -3.631 -2.813 163 2HD PRO 20 1HD PRO 20 7.687 -4.764 -1.861 164 H PHE 21 H PHE 21 7.128 -0.673 -1.746 165 HA PHE 21 HA PHE 21 7.739 1.674 -0.210 166 1HB PHE 21 2HB PHE 21 6.504 2.834 -2.119 167 2HB PHE 21 1HB PHE 21 7.977 1.965 -2.527 168 HD1 PHE 21 1HD PHE 21 4.297 1.317 -2.306 169 HD2 PHE 21 2HD PHE 21 7.940 0.666 -4.404 170 HE1 PHE 21 1HE PHE 21 3.078 0.045 -4.019 171 HE2 PHE 21 2HE PHE 21 6.727 -0.609 -6.122 172 HZ PHE 21 HZ PHE 21 4.292 -0.920 -5.932 173 H CYS 22 H CYS 22 5.390 -0.521 0.213 174 HA CYS 22 HA CYS 22 3.673 1.420 1.548 175 1HB CYS 22 2HB CYS 22 2.672 -0.531 -0.540 176 2HB CYS 22 1HB CYS 22 1.623 0.229 0.649 177 H HIS 23 H HIS 23 5.298 0.009 2.960 178 HA HIS 23 HA HIS 23 4.528 -2.639 3.614 179 1HB HIS 23 2HB HIS 23 6.451 -0.661 4.682 180 2HB HIS 23 1HB HIS 23 5.919 -1.916 5.798 181 HD1 HIS 23 1HD HIS 23 8.767 -2.117 5.213 182 HD2 HIS 23 2HD HIS 23 5.946 -3.782 2.657 183 HE1 HIS 23 1HE HIS 23 9.993 -3.890 3.921 184 H CYS 24 H CYS 24 2.239 -1.529 3.653 185 HA CYS 24 HA CYS 24 1.390 -0.618 6.263 186 1HB CYS 24 2HB CYS 24 0.464 0.145 4.026 187 2HB CYS 24 1HB CYS 24 -0.299 -1.434 3.899 188 H ARG 25 H ARG 25 -0.824 -1.777 6.911 189 HA ARG 25 HA ARG 25 -0.053 -4.440 7.689 190 1HB ARG 25 2HB ARG 25 -2.582 -2.871 8.220 191 2HB ARG 25 1HB ARG 25 -2.221 -4.445 8.916 192 1HG ARG 25 2HG ARG 25 -0.221 -3.472 9.989 193 2HG ARG 25 1HG ARG 25 -0.685 -1.892 9.355 194 1HD ARG 25 2HD ARG 25 -2.356 -3.592 11.204 195 2HD ARG 25 1HD ARG 25 -1.376 -2.214 11.699 196 HE ARG 25 HE ARG 25 -3.107 -1.342 9.697 197 1HH1 ARG 25 1HH1 ARG 25 -3.290 -2.574 12.964 198 2HH1 ARG 25 2HH1 ARG 25 -4.738 -1.708 13.353 199 1HH2 ARG 25 1HH2 ARG 25 -5.028 -0.187 10.201 200 2HH2 ARG 25 2HH2 ARG 25 -5.730 -0.347 11.776 201 1HN NH2 26 1H ARG 25 -3.458 -5.038 7.061 202 2HN NH2 26 2H ARG 25 -3.437 -4.070 5.630 Start of MODEL 14 1 1H PHE 1 1HT PHE 1 3.644 15.797 3.877 2 2H PHE 1 2HT PHE 1 4.115 14.666 5.042 3 3H PHE 1 3HT PHE 1 2.783 14.351 4.051 4 HA PHE 1 HA PHE 1 5.158 14.894 2.559 5 1HB PHE 1 2HB PHE 1 5.066 12.638 4.564 6 2HB PHE 1 1HB PHE 1 6.051 12.539 3.110 7 HD1 PHE 1 1HD PHE 1 5.413 15.160 5.711 8 HD2 PHE 1 2HD PHE 1 8.264 12.894 3.510 9 HE1 PHE 1 1HE PHE 1 7.237 16.351 6.854 10 HE2 PHE 1 2HE PHE 1 10.093 14.081 4.650 11 HZ PHE 1 HZ PHE 1 9.581 15.811 6.325 12 HA PRO 2 HA PRO 2 2.486 12.862 -0.310 13 1HB PRO 2 2HB PRO 2 4.324 11.970 -2.121 14 2HB PRO 2 1HB PRO 2 3.807 13.657 -2.009 15 1HG PRO 2 2HG PRO 2 6.262 12.350 -0.906 16 2HG PRO 2 1HG PRO 2 6.095 13.920 -1.712 17 1HD PRO 2 2HD PRO 2 6.285 13.698 0.969 18 2HD PRO 2 1HD PRO 2 5.303 14.957 0.193 19 H ARG 3 H ARG 3 1.747 10.823 -0.875 20 HA ARG 3 HA ARG 3 3.330 8.486 -0.207 21 1HB ARG 3 2HB ARG 3 1.488 7.506 1.157 22 2HB ARG 3 1HB ARG 3 2.258 8.893 1.911 23 1HG ARG 3 2HG ARG 3 0.376 10.302 1.093 24 2HG ARG 3 1HG ARG 3 -0.413 8.830 0.525 25 1HD ARG 3 2HD ARG 3 0.430 9.323 3.378 26 2HD ARG 3 1HD ARG 3 -1.195 9.608 2.759 27 HE ARG 3 HE ARG 3 0.003 7.077 3.417 28 1HH1 ARG 3 1HH1 ARG 3 -2.516 8.666 1.576 29 2HH1 ARG 3 2HH1 ARG 3 -3.487 7.235 1.427 30 1HH2 ARG 3 1HH2 ARG 3 -1.288 5.185 3.212 31 2HH2 ARG 3 2HH2 ARG 3 -2.792 5.269 2.350 32 HA PRO 4 HA PRO 4 1.508 7.088 -3.963 33 1HB PRO 4 2HB PRO 4 1.813 4.381 -2.778 34 2HB PRO 4 1HB PRO 4 2.432 5.019 -4.305 35 1HG PRO 4 2HG PRO 4 4.060 4.631 -2.230 36 2HG PRO 4 1HG PRO 4 4.255 6.036 -3.294 37 1HD PRO 4 2HD PRO 4 3.052 5.878 -0.561 38 2HD PRO 4 1HD PRO 4 4.076 7.143 -1.271 39 H ARG 5 H ARG 5 -0.533 6.864 -4.584 40 HA ARG 5 HA ARG 5 -2.643 6.531 -2.739 41 1HB ARG 5 2HB ARG 5 -2.666 6.404 -5.761 42 2HB ARG 5 1HB ARG 5 -4.109 6.451 -4.755 43 1HG ARG 5 2HG ARG 5 -3.292 8.632 -3.839 44 2HG ARG 5 1HG ARG 5 -2.016 8.591 -5.057 45 1HD ARG 5 2HD ARG 5 -4.980 8.531 -5.624 46 2HD ARG 5 1HD ARG 5 -3.948 9.955 -5.750 47 HE ARG 5 HE ARG 5 -2.857 7.934 -7.349 48 1HH1 ARG 5 1HH1 ARG 5 -5.686 9.984 -7.225 49 2HH1 ARG 5 2HH1 ARG 5 -5.917 10.000 -8.942 50 1HH2 ARG 5 1HH2 ARG 5 -3.153 7.947 -9.629 51 2HH2 ARG 5 2HH2 ARG 5 -4.471 8.837 -10.312 52 H ILE 6 H ILE 6 -0.801 4.315 -4.609 53 HA ILE 6 HA ILE 6 -2.580 2.137 -4.735 54 HB ILE 6 HB ILE 6 0.423 2.006 -4.519 55 1HG1 ILE 6 2HG1 ILE 6 -1.274 2.292 -7.010 56 2HG1 ILE 6 1HG1 ILE 6 -0.303 3.575 -6.298 57 1HG2 ILE 6 1HG2 ILE 6 -1.430 -0.031 -4.579 58 2HG2 ILE 6 2HG2 ILE 6 0.278 -0.175 -4.989 59 3HG2 ILE 6 3HG2 ILE 6 -0.913 0.094 -6.261 60 1HD1 ILE 6 1HD1 ILE 6 0.511 1.928 -8.290 61 2HD1 ILE 6 2HD1 ILE 6 1.180 1.121 -6.873 62 3HD1 ILE 6 3HD1 ILE 6 1.587 2.804 -7.203 63 H CYS 7 H CYS 7 -0.370 3.271 -2.275 64 HA CYS 7 HA CYS 7 -0.251 1.066 -0.595 65 1HB CYS 7 2HB CYS 7 -0.270 4.010 0.076 66 2HB CYS 7 1HB CYS 7 0.136 2.740 1.219 67 H ASN 8 H ASN 8 -2.796 3.362 -1.097 68 HA ASN 8 HA ASN 8 -4.311 2.847 1.244 69 1HB ASN 8 2HB ASN 8 -5.258 3.688 -1.507 70 2HB ASN 8 1HB ASN 8 -6.239 3.723 -0.052 71 1HD2 ASN 8 1HD2 ASN 8 -4.806 5.676 -2.054 72 2HD2 ASN 8 2HD2 ASN 8 -4.251 6.928 -0.998 73 H LEU 9 H LEU 9 -4.320 1.432 -1.963 74 HA LEU 9 HA LEU 9 -6.366 -0.485 -1.447 75 1HB LEU 9 2HB LEU 9 -4.267 -0.967 -3.506 76 2HB LEU 9 1HB LEU 9 -5.997 -1.235 -3.600 77 HG LEU 9 HG LEU 9 -4.690 1.480 -3.666 78 1HD1 LEU 9 1HD1 LEU 9 -5.143 -0.521 -5.753 79 2HD1 LEU 9 2HD1 LEU 9 -4.089 0.892 -5.743 80 3HD1 LEU 9 3HD1 LEU 9 -5.799 1.072 -6.131 81 1HD2 LEU 9 1HD2 LEU 9 -6.778 2.130 -3.173 82 2HD2 LEU 9 2HD2 LEU 9 -7.458 0.541 -3.527 83 3HD2 LEU 9 3HD2 LEU 9 -7.157 1.684 -4.836 84 H ALA 10 H ALA 10 -2.895 -0.372 -1.321 85 HA ALA 10 HA ALA 10 -2.248 -3.042 -0.979 86 1HB ALA 10 1HB ALA 10 -0.625 -1.325 0.700 87 2HB ALA 10 2HB ALA 10 -0.872 -0.650 -0.910 88 3HB ALA 10 3HB ALA 10 -0.180 -2.261 -0.728 89 H CYS 11 H CYS 11 -3.084 -0.657 1.550 90 HA CYS 11 HA CYS 11 -2.757 -2.421 3.731 91 1HB CYS 11 2HB CYS 11 -4.871 -0.270 3.692 92 2HB CYS 11 1HB CYS 11 -3.932 -0.847 5.055 93 H ARG 12 H ARG 12 -5.576 -1.609 1.760 94 HA ARG 12 HA ARG 12 -7.487 -3.130 3.116 95 1HB ARG 12 2HB ARG 12 -7.367 -2.379 0.196 96 2HB ARG 12 1HB ARG 12 -8.788 -3.024 1.007 97 1HG ARG 12 2HG ARG 12 -8.847 -1.080 2.472 98 2HG ARG 12 1HG ARG 12 -7.406 -0.436 1.683 99 1HD ARG 12 2HD ARG 12 -8.610 -0.317 -0.436 100 2HD ARG 12 1HD ARG 12 -10.047 -0.991 0.332 101 HE ARG 12 HE ARG 12 -9.207 1.720 0.366 102 1HH1 ARG 12 1HH1 ARG 12 -10.823 -0.702 2.313 103 2HH1 ARG 12 2HH1 ARG 12 -11.670 0.457 3.285 104 1HH2 ARG 12 1HH2 ARG 12 -10.327 3.254 1.645 105 2HH2 ARG 12 2HH2 ARG 12 -11.386 2.711 2.903 106 H ALA 13 H ALA 13 -5.445 -4.034 0.356 107 HA ALA 13 HA ALA 13 -6.548 -6.706 0.295 108 1HB ALA 13 1HB ALA 13 -4.613 -5.166 -1.340 109 2HB ALA 13 2HB ALA 13 -6.002 -6.132 -1.838 110 3HB ALA 13 3HB ALA 13 -4.497 -6.927 -1.375 111 H GLY 14 H GLY 14 -4.688 -5.390 2.480 112 1HA GLY 14 2HA GLY 14 -3.138 -6.126 4.001 113 2HA GLY 14 1HA GLY 14 -3.686 -7.725 3.581 114 H ILE 15 H ILE 15 -2.261 -5.610 1.277 115 HA ILE 15 HA ILE 15 -0.017 -7.475 1.084 116 HB ILE 15 HB ILE 15 0.454 -6.330 -1.122 117 1HG1 ILE 15 2HG1 ILE 15 -2.310 -5.202 -0.633 118 2HG1 ILE 15 1HG1 ILE 15 -0.818 -4.276 -0.731 119 1HG2 ILE 15 1HG2 ILE 15 -1.415 -8.328 -0.421 120 2HG2 ILE 15 2HG2 ILE 15 -0.527 -8.142 -1.933 121 3HG2 ILE 15 3HG2 ILE 15 -2.113 -7.394 -1.743 122 1HD1 ILE 15 1HD1 ILE 15 -1.704 -3.962 -2.818 123 2HD1 ILE 15 2HD1 ILE 15 -2.380 -5.589 -2.897 124 3HD1 ILE 15 3HD1 ILE 15 -0.645 -5.344 -3.100 125 H GLY 16 H GLY 16 -0.457 -5.316 3.045 126 1HA GLY 16 2HA GLY 16 1.302 -3.153 2.584 127 2HA GLY 16 1HA GLY 16 0.823 -3.756 4.164 128 H HIS 17 H HIS 17 1.872 -6.398 3.802 129 HA HIS 17 HA HIS 17 4.663 -5.831 4.362 130 1HB HIS 17 2HB HIS 17 3.162 -7.427 5.716 131 2HB HIS 17 1HB HIS 17 3.351 -8.552 4.378 132 HD1 HIS 17 1HD HIS 17 6.245 -8.641 3.794 133 HD2 HIS 17 2HD HIS 17 4.833 -8.170 7.681 134 HE1 HIS 17 1HE HIS 17 8.104 -9.436 5.292 135 H LYS 18 H LYS 18 2.756 -6.793 1.761 136 HA LYS 18 HA LYS 18 4.761 -8.335 0.380 137 1HB LYS 18 2HB LYS 18 2.049 -7.290 -0.443 138 2HB LYS 18 1HB LYS 18 3.099 -8.172 -1.537 139 1HG LYS 18 2HG LYS 18 1.447 -9.668 -0.668 140 2HG LYS 18 1HG LYS 18 3.013 -10.109 0.007 141 1HD LYS 18 2HD LYS 18 2.469 -9.202 2.118 142 2HD LYS 18 1HD LYS 18 1.072 -8.338 1.473 143 1HE LYS 18 2HE LYS 18 1.243 -11.337 1.424 144 2HE LYS 18 1HE LYS 18 0.637 -10.465 2.830 145 1HZ LYS 18 1HZ LYS 18 -1.082 -11.237 1.193 146 2HZ LYS 18 2HZ LYS 18 -0.481 -10.085 0.110 147 3HZ LYS 18 3HZ LYS 18 -1.146 -9.592 1.587 148 H TYR 19 H TYR 19 3.407 -5.088 0.230 149 HA TYR 19 HA TYR 19 5.223 -4.385 -1.953 150 1HB TYR 19 2HB TYR 19 2.855 -2.994 -0.713 151 2HB TYR 19 1HB TYR 19 3.938 -2.167 -1.823 152 HD1 TYR 19 1HD TYR 19 2.997 -5.722 -2.192 153 HD2 TYR 19 2HD TYR 19 2.297 -1.736 -3.503 154 HE1 TYR 19 1HE TYR 19 1.698 -6.581 -4.092 155 HE2 TYR 19 2HE TYR 19 0.998 -2.586 -5.407 156 HH TYR 19 HH TYR 19 0.897 -4.759 -6.746 157 HA PRO 20 HA PRO 20 8.100 -2.906 1.180 158 1HB PRO 20 2HB PRO 20 9.457 -1.893 -1.256 159 2HB PRO 20 1HB PRO 20 10.092 -2.897 0.052 160 1HG PRO 20 2HG PRO 20 9.558 -3.946 -2.341 161 2HG PRO 20 1HG PRO 20 9.230 -4.851 -0.851 162 1HD PRO 20 2HD PRO 20 7.329 -3.393 -2.642 163 2HD PRO 20 1HD PRO 20 7.120 -4.941 -1.798 164 H PHE 21 H PHE 21 7.142 -0.964 -1.640 165 HA PHE 21 HA PHE 21 7.703 1.514 -0.310 166 1HB PHE 21 2HB PHE 21 6.585 2.514 -2.358 167 2HB PHE 21 1HB PHE 21 8.030 1.556 -2.643 168 HD1 PHE 21 1HD PHE 21 8.003 -0.115 -4.228 169 HD2 PHE 21 2HD PHE 21 4.314 1.293 -2.645 170 HE1 PHE 21 1HE PHE 21 6.781 -1.469 -5.880 171 HE2 PHE 21 2HE PHE 21 3.087 -0.062 -4.289 172 HZ PHE 21 HZ PHE 21 4.320 -1.445 -5.909 173 H CYS 22 H CYS 22 5.222 -0.648 0.002 174 HA CYS 22 HA CYS 22 3.492 1.443 1.116 175 1HB CYS 22 2HB CYS 22 2.612 -0.825 -0.679 176 2HB CYS 22 1HB CYS 22 1.505 0.011 0.400 177 H HIS 23 H HIS 23 5.178 0.355 2.685 178 HA HIS 23 HA HIS 23 4.501 -2.148 3.838 179 1HB HIS 23 2HB HIS 23 6.761 -1.005 3.915 180 2HB HIS 23 1HB HIS 23 6.089 0.068 5.138 181 HD1 HIS 23 1HD HIS 23 6.170 -3.712 4.674 182 HD2 HIS 23 2HD HIS 23 6.786 -0.814 7.588 183 HE1 HIS 23 1HE HIS 23 6.797 -4.975 6.758 184 H CYS 24 H CYS 24 2.182 -1.079 3.737 185 HA CYS 24 HA CYS 24 1.363 0.463 5.991 186 1HB CYS 24 2HB CYS 24 0.259 0.303 3.700 187 2HB CYS 24 1HB CYS 24 -0.388 -1.244 4.233 188 H ARG 25 H ARG 25 -0.601 -0.453 7.267 189 HA ARG 25 HA ARG 25 0.383 -2.542 8.925 190 1HB ARG 25 2HB ARG 25 -1.032 -0.674 9.741 191 2HB ARG 25 1HB ARG 25 -2.385 -1.325 8.830 192 1HG ARG 25 2HG ARG 25 -2.273 -3.382 10.183 193 2HG ARG 25 1HG ARG 25 -0.973 -2.656 11.132 194 1HD ARG 25 2HD ARG 25 -2.493 -0.820 11.759 195 2HD ARG 25 1HD ARG 25 -3.788 -1.602 10.857 196 HE ARG 25 HE ARG 25 -4.117 -2.993 12.625 197 1HH1 ARG 25 1HH1 ARG 25 -0.926 -1.585 12.944 198 2HH1 ARG 25 2HH1 ARG 25 -0.609 -2.321 14.478 199 1HH2 ARG 25 1HH2 ARG 25 -3.704 -3.969 14.657 200 2HH2 ARG 25 2HH2 ARG 25 -2.194 -3.681 15.456 201 1HN NH2 26 1H ARG 25 0.556 -4.463 7.487 202 2HN NH2 26 2H ARG 25 -0.813 -5.435 7.892 Start of MODEL 15 1 1H PHE 1 1HT PHE 1 4.648 15.490 4.985 2 2H PHE 1 2HT PHE 1 4.919 14.493 6.322 3 3H PHE 1 3HT PHE 1 3.501 14.324 5.416 4 HA PHE 1 HA PHE 1 5.913 14.054 3.873 5 1HB PHE 1 2HB PHE 1 6.581 13.045 6.044 6 2HB PHE 1 1HB PHE 1 5.170 11.996 5.976 7 HD1 PHE 1 1HD PHE 1 5.660 9.829 5.450 8 HD2 PHE 1 2HD PHE 1 7.935 12.936 3.637 9 HE1 PHE 1 1HE PHE 1 6.972 8.148 4.223 10 HE2 PHE 1 2HE PHE 1 9.248 11.261 2.405 11 HZ PHE 1 HZ PHE 1 8.767 8.864 2.696 12 HA PRO 2 HA PRO 2 2.447 12.458 1.523 13 1HB PRO 2 2HB PRO 2 3.727 12.106 -0.807 14 2HB PRO 2 1HB PRO 2 3.344 13.722 -0.195 15 1HG PRO 2 2HG PRO 2 5.933 12.225 -0.102 16 2HG PRO 2 1HG PRO 2 5.641 13.934 -0.474 17 1HD PRO 2 2HD PRO 2 6.477 13.025 1.973 18 2HD PRO 2 1HD PRO 2 5.556 14.524 1.737 19 H ARG 3 H ARG 3 2.184 10.552 -0.063 20 HA ARG 3 HA ARG 3 3.904 8.299 0.247 21 1HB ARG 3 2HB ARG 3 2.352 6.831 1.437 22 2HB ARG 3 1HB ARG 3 2.792 8.207 2.438 23 1HG ARG 3 2HG ARG 3 0.671 9.266 1.993 24 2HG ARG 3 1HG ARG 3 0.234 7.979 0.866 25 1HD ARG 3 2HD ARG 3 -0.852 7.636 3.013 26 2HD ARG 3 1HD ARG 3 0.316 6.355 2.699 27 HE ARG 3 HE ARG 3 1.453 7.002 4.559 28 1HH1 ARG 3 1HH1 ARG 3 -0.608 9.655 3.578 29 2HH1 ARG 3 2HH1 ARG 3 -0.207 10.644 4.940 30 1HH2 ARG 3 1HH2 ARG 3 1.988 8.302 6.364 31 2HH2 ARG 3 2HH2 ARG 3 1.274 9.870 6.533 32 HA PRO 4 HA PRO 4 2.017 7.344 -3.607 33 1HB PRO 4 2HB PRO 4 2.240 4.595 -3.563 34 2HB PRO 4 1HB PRO 4 3.543 5.701 -4.008 35 1HG PRO 4 2HG PRO 4 3.032 4.312 -1.414 36 2HG PRO 4 1HG PRO 4 4.571 4.622 -2.240 37 1HD PRO 4 2HD PRO 4 3.753 6.092 -0.135 38 2HD PRO 4 1HD PRO 4 4.691 6.796 -1.468 39 H ARG 5 H ARG 5 0.015 6.951 -4.361 40 HA ARG 5 HA ARG 5 -2.118 6.495 -2.582 41 1HB ARG 5 2HB ARG 5 -1.933 6.632 -5.577 42 2HB ARG 5 1HB ARG 5 -3.443 6.192 -4.794 43 1HG ARG 5 2HG ARG 5 -3.612 8.488 -5.182 44 2HG ARG 5 1HG ARG 5 -3.208 8.352 -3.471 45 1HD ARG 5 2HD ARG 5 -1.880 10.106 -4.378 46 2HD ARG 5 1HD ARG 5 -0.812 8.732 -4.100 47 HE ARG 5 HE ARG 5 -0.350 8.731 -6.326 48 1HH1 ARG 5 1HH1 ARG 5 -3.422 10.359 -5.885 49 2HH1 ARG 5 2HH1 ARG 5 -3.604 10.748 -7.563 50 1HH2 ARG 5 1HH2 ARG 5 -0.588 9.247 -8.546 51 2HH2 ARG 5 2HH2 ARG 5 -1.990 10.113 -9.079 52 H ILE 6 H ILE 6 -0.069 4.342 -4.215 53 HA ILE 6 HA ILE 6 -1.716 2.115 -4.630 54 HB ILE 6 HB ILE 6 1.188 2.057 -3.830 55 1HG1 ILE 6 2HG1 ILE 6 0.882 3.617 -5.695 56 2HG1 ILE 6 1HG1 ILE 6 1.709 2.161 -6.237 57 1HG2 ILE 6 1HG2 ILE 6 -0.270 -0.078 -3.963 58 2HG2 ILE 6 2HG2 ILE 6 1.315 -0.070 -4.735 59 3HG2 ILE 6 3HG2 ILE 6 -0.140 0.146 -5.707 60 1HD1 ILE 6 1HD1 ILE 6 -0.093 1.441 -7.475 61 2HD1 ILE 6 2HD1 ILE 6 -0.189 3.192 -7.671 62 3HD1 ILE 6 3HD1 ILE 6 -1.252 2.372 -6.527 63 H CYS 7 H CYS 7 -0.112 3.346 -1.780 64 HA CYS 7 HA CYS 7 -0.193 1.159 -0.087 65 1HB CYS 7 2HB CYS 7 -0.582 4.089 0.533 66 2HB CYS 7 1HB CYS 7 -0.341 2.851 1.754 67 H ASN 8 H ASN 8 -2.731 3.243 -1.157 68 HA ASN 8 HA ASN 8 -4.717 2.790 0.763 69 1HB ASN 8 2HB ASN 8 -5.009 4.458 -0.954 70 2HB ASN 8 1HB ASN 8 -4.940 3.245 -2.215 71 1HD2 ASN 8 1HD2 ASN 8 -6.855 3.117 -3.111 72 2HD2 ASN 8 2HD2 ASN 8 -8.363 3.017 -2.279 73 H LEU 9 H LEU 9 -4.251 1.145 -2.328 74 HA LEU 9 HA LEU 9 -6.169 -0.876 -1.746 75 1HB LEU 9 2HB LEU 9 -5.351 -1.984 -3.789 76 2HB LEU 9 1HB LEU 9 -5.767 -0.303 -4.041 77 HG LEU 9 HG LEU 9 -3.137 -0.012 -3.619 78 1HD1 LEU 9 1HD1 LEU 9 -2.902 -2.496 -3.304 79 2HD1 LEU 9 2HD1 LEU 9 -1.846 -1.779 -4.521 80 3HD1 LEU 9 3HD1 LEU 9 -3.285 -2.671 -5.017 81 1HD2 LEU 9 1HD2 LEU 9 -4.887 -0.196 -5.905 82 2HD2 LEU 9 2HD2 LEU 9 -3.249 -0.706 -6.311 83 3HD2 LEU 9 3HD2 LEU 9 -3.527 0.889 -5.610 84 H ALA 10 H ALA 10 -2.739 -0.573 -1.338 85 HA ALA 10 HA ALA 10 -2.102 -3.265 -0.873 86 1HB ALA 10 1HB ALA 10 -0.119 -2.260 -1.000 87 2HB ALA 10 2HB ALA 10 -0.339 -1.841 0.700 88 3HB ALA 10 3HB ALA 10 -0.797 -0.693 -0.558 89 H CYS 11 H CYS 11 -3.048 -0.685 1.389 90 HA CYS 11 HA CYS 11 -2.775 -2.245 3.725 91 1HB CYS 11 2HB CYS 11 -4.511 0.176 3.184 92 2HB CYS 11 1HB CYS 11 -4.295 -0.536 4.773 93 H ARG 12 H ARG 12 -5.638 -1.518 1.730 94 HA ARG 12 HA ARG 12 -7.427 -2.925 3.391 95 1HB ARG 12 2HB ARG 12 -9.042 -2.744 1.579 96 2HB ARG 12 1HB ARG 12 -8.213 -1.221 1.849 97 1HG ARG 12 2HG ARG 12 -6.781 -1.672 -0.093 98 2HG ARG 12 1HG ARG 12 -7.667 -3.173 -0.375 99 1HD ARG 12 2HD ARG 12 -8.550 -1.468 -1.822 100 2HD ARG 12 1HD ARG 12 -9.751 -1.851 -0.590 101 HE ARG 12 HE ARG 12 -8.058 0.376 0.096 102 1HH1 ARG 12 1HH1 ARG 12 -10.981 -0.612 -1.554 103 2HH1 ARG 12 2HH1 ARG 12 -11.710 0.958 -1.490 104 1HH2 ARG 12 1HH2 ARG 12 -8.995 2.467 0.167 105 2HH2 ARG 12 2HH2 ARG 12 -10.582 2.712 -0.496 106 H ALA 13 H ALA 13 -5.527 -3.964 0.603 107 HA ALA 13 HA ALA 13 -6.770 -6.579 0.633 108 1HB ALA 13 1HB ALA 13 -5.122 -5.090 -1.198 109 2HB ALA 13 2HB ALA 13 -6.137 -6.500 -1.499 110 3HB ALA 13 3HB ALA 13 -4.474 -6.713 -0.952 111 H GLY 14 H GLY 14 -4.610 -5.086 2.516 112 1HA GLY 14 2HA GLY 14 -3.133 -5.778 4.129 113 2HA GLY 14 1HA GLY 14 -3.776 -7.382 3.892 114 H ILE 15 H ILE 15 -2.479 -5.812 1.186 115 HA ILE 15 HA ILE 15 -0.264 -7.708 1.169 116 HB ILE 15 HB ILE 15 0.090 -6.927 -1.191 117 1HG1 ILE 15 2HG1 ILE 15 -2.514 -5.473 -0.672 118 2HG1 ILE 15 1HG1 ILE 15 -0.955 -4.726 -1.006 119 1HG2 ILE 15 1HG2 ILE 15 -1.376 -8.896 -0.369 120 2HG2 ILE 15 2HG2 ILE 15 -1.494 -8.379 -2.052 121 3HG2 ILE 15 3HG2 ILE 15 -2.726 -7.888 -0.890 122 1HD1 ILE 15 1HD1 ILE 15 -2.253 -6.583 -2.962 123 2HD1 ILE 15 2HD1 ILE 15 -0.993 -5.380 -3.242 124 3HD1 ILE 15 3HD1 ILE 15 -2.646 -4.865 -2.904 125 H GLY 16 H GLY 16 -0.614 -5.150 2.717 126 1HA GLY 16 2HA GLY 16 1.243 -3.233 1.820 127 2HA GLY 16 1HA GLY 16 0.762 -3.478 3.495 128 H HIS 17 H HIS 17 1.672 -6.077 3.871 129 HA HIS 17 HA HIS 17 4.378 -5.609 4.482 130 1HB HIS 17 2HB HIS 17 2.866 -8.226 4.355 131 2HB HIS 17 1HB HIS 17 4.465 -8.024 5.065 132 HD1 HIS 17 1HD HIS 17 4.335 -5.858 6.972 133 HD2 HIS 17 2HD HIS 17 1.001 -8.243 6.292 134 HE1 HIS 17 1HE HIS 17 2.885 -5.580 9.004 135 H LYS 18 H LYS 18 2.818 -6.911 1.705 136 HA LYS 18 HA LYS 18 5.185 -8.092 0.577 137 1HB LYS 18 2HB LYS 18 3.011 -9.055 0.081 138 2HB LYS 18 1HB LYS 18 2.462 -7.532 -0.605 139 1HG LYS 18 2HG LYS 18 4.102 -7.741 -2.400 140 2HG LYS 18 1HG LYS 18 4.669 -9.261 -1.707 141 1HD LYS 18 2HD LYS 18 1.845 -8.757 -2.645 142 2HD LYS 18 1HD LYS 18 3.091 -9.547 -3.612 143 1HE LYS 18 2HE LYS 18 2.058 -10.509 -0.945 144 2HE LYS 18 1HE LYS 18 1.612 -11.171 -2.517 145 1HZ LYS 18 1HZ LYS 18 4.170 -11.468 -2.748 146 2HZ LYS 18 2HZ LYS 18 3.266 -12.595 -1.868 147 3HZ LYS 18 3HZ LYS 18 4.150 -11.403 -1.057 148 H TYR 19 H TYR 19 3.462 -5.036 0.279 149 HA TYR 19 HA TYR 19 5.098 -4.225 -1.980 150 1HB TYR 19 2HB TYR 19 2.844 -2.933 -0.472 151 2HB TYR 19 1HB TYR 19 3.810 -2.014 -1.622 152 HD1 TYR 19 1HD TYR 19 2.185 -1.575 -3.274 153 HD2 TYR 19 2HD TYR 19 2.811 -5.574 -1.966 154 HE1 TYR 19 1HE TYR 19 0.792 -2.394 -5.126 155 HE2 TYR 19 2HE TYR 19 1.419 -6.403 -3.813 156 HH TYR 19 HH TYR 19 -0.405 -4.242 -5.853 157 HA PRO 20 HA PRO 20 8.403 -2.784 0.665 158 1HB PRO 20 2HB PRO 20 9.203 -1.508 -1.897 159 2HB PRO 20 1HB PRO 20 10.141 -2.535 -0.807 160 1HG PRO 20 2HG PRO 20 9.219 -3.494 -3.112 161 2HG PRO 20 1HG PRO 20 9.220 -4.493 -1.645 162 1HD PRO 20 2HD PRO 20 6.949 -3.070 -2.970 163 2HD PRO 20 1HD PRO 20 6.978 -4.662 -2.185 164 H PHE 21 H PHE 21 7.034 -0.577 -1.780 165 HA PHE 21 HA PHE 21 7.694 1.733 -0.209 166 1HB PHE 21 2HB PHE 21 6.357 2.929 -2.032 167 2HB PHE 21 1HB PHE 21 7.824 2.093 -2.523 168 HD1 PHE 21 1HD PHE 21 4.179 1.324 -2.132 169 HD2 PHE 21 2HD PHE 21 7.715 0.899 -4.461 170 HE1 PHE 21 1HE PHE 21 2.908 0.075 -3.827 171 HE2 PHE 21 2HE PHE 21 6.449 -0.349 -6.161 172 HZ PHE 21 HZ PHE 21 4.042 -0.763 -5.845 173 H CYS 22 H CYS 22 5.377 -0.484 0.286 174 HA CYS 22 HA CYS 22 3.730 1.410 1.762 175 1HB CYS 22 2HB CYS 22 2.624 -0.396 -0.400 176 2HB CYS 22 1HB CYS 22 1.626 0.302 0.867 177 H HIS 23 H HIS 23 5.345 -0.103 3.075 178 HA HIS 23 HA HIS 23 4.528 -2.778 3.546 179 1HB HIS 23 2HB HIS 23 6.432 -0.930 4.927 180 2HB HIS 23 1HB HIS 23 5.988 -2.461 5.676 181 HD1 HIS 23 1HD HIS 23 6.011 -4.328 3.263 182 HD2 HIS 23 2HD HIS 23 8.912 -1.429 3.945 183 HE1 HIS 23 1HE HIS 23 8.062 -5.142 2.070 184 H CYS 24 H CYS 24 2.277 -1.621 3.689 185 HA CYS 24 HA CYS 24 1.411 -0.804 6.300 186 1HB CYS 24 2HB CYS 24 0.473 -0.150 4.007 187 2HB CYS 24 1HB CYS 24 -0.293 -1.731 3.999 188 H ARG 25 H ARG 25 -0.885 -2.041 6.723 189 HA ARG 25 HA ARG 25 -0.150 -4.488 7.955 190 1HB ARG 25 2HB ARG 25 -2.533 -4.658 8.560 191 2HB ARG 25 1HB ARG 25 -1.882 -3.061 8.905 192 1HG ARG 25 2HG ARG 25 -2.904 -2.207 6.847 193 2HG ARG 25 1HG ARG 25 -3.576 -3.808 6.527 194 1HD ARG 25 2HD ARG 25 -5.256 -2.371 7.530 195 2HD ARG 25 1HD ARG 25 -4.841 -3.687 8.625 196 HE ARG 25 HE ARG 25 -4.183 -2.129 10.142 197 1HH1 ARG 25 1HH1 ARG 25 -4.090 -0.627 6.979 198 2HH1 ARG 25 2HH1 ARG 25 -3.626 0.928 7.584 199 1HH2 ARG 25 1HH2 ARG 25 -3.583 -0.070 10.950 200 2HH2 ARG 25 2HH2 ARG 25 -3.344 1.247 9.850 201 1HN NH2 26 1H ARG 25 -1.661 -6.469 7.622 202 2HN NH2 26 2H ARG 25 -1.814 -7.006 5.987 Start of MODEL 16 1 1H PHE 1 1HT PHE 1 -0.705 12.626 8.270 2 2H PHE 1 2HT PHE 1 0.415 11.405 8.609 3 3H PHE 1 3HT PHE 1 -1.108 11.006 7.992 4 HA PHE 1 HA PHE 1 0.255 12.848 6.307 5 1HB PHE 1 2HB PHE 1 1.551 10.204 7.002 6 2HB PHE 1 1HB PHE 1 1.872 11.044 5.490 7 HD1 PHE 1 1HD PHE 1 3.818 12.227 5.430 8 HD2 PHE 1 2HD PHE 1 1.741 11.917 9.132 9 HE1 PHE 1 1HE PHE 1 5.584 13.538 6.527 10 HE2 PHE 1 2HE PHE 1 3.503 13.232 10.235 11 HZ PHE 1 HZ PHE 1 5.428 14.045 8.932 12 HA PRO 2 HA PRO 2 -2.798 10.898 3.764 13 1HB PRO 2 2HB PRO 2 -1.260 11.759 1.421 14 2HB PRO 2 1HB PRO 2 -2.856 12.282 1.962 15 1HG PRO 2 2HG PRO 2 -0.699 13.890 2.092 16 2HG PRO 2 1HG PRO 2 -2.006 13.958 3.289 17 1HD PRO 2 2HD PRO 2 0.689 12.664 3.494 18 2HD PRO 2 1HD PRO 2 -0.206 13.605 4.708 19 H ARG 3 H ARG 3 -3.057 8.916 2.876 20 HA ARG 3 HA ARG 3 -0.686 7.295 2.501 21 1HB ARG 3 2HB ARG 3 -3.620 6.571 2.385 22 2HB ARG 3 1HB ARG 3 -2.302 5.425 2.209 23 1HG ARG 3 2HG ARG 3 -1.550 6.061 4.504 24 2HG ARG 3 1HG ARG 3 -3.032 7.010 4.656 25 1HD ARG 3 2HD ARG 3 -4.348 4.974 4.196 26 2HD ARG 3 1HD ARG 3 -2.854 4.044 4.129 27 HE ARG 3 HE ARG 3 -2.812 4.017 6.407 28 1HH1 ARG 3 1HH1 ARG 3 -5.059 6.493 5.376 29 2HH1 ARG 3 2HH1 ARG 3 -5.597 6.860 6.981 30 1HH2 ARG 3 1HH2 ARG 3 -3.518 4.492 8.531 31 2HH2 ARG 3 2HH2 ARG 3 -4.716 5.718 8.782 32 HA PRO 4 HA PRO 4 -0.528 7.969 -1.904 33 1HB PRO 4 2HB PRO 4 0.779 5.300 -1.830 34 2HB PRO 4 1HB PRO 4 1.349 6.813 -2.545 35 1HG PRO 4 2HG PRO 4 2.401 5.893 -0.274 36 2HG PRO 4 1HG PRO 4 2.132 7.628 -0.522 37 1HD PRO 4 2HD PRO 4 0.559 5.679 1.109 38 2HD PRO 4 1HD PRO 4 0.938 7.382 1.439 39 H ARG 5 H ARG 5 -1.697 7.260 -3.651 40 HA ARG 5 HA ARG 5 -4.040 5.878 -3.293 41 1HB ARG 5 2HB ARG 5 -3.419 7.340 -5.244 42 2HB ARG 5 1HB ARG 5 -2.532 5.975 -5.906 43 1HG ARG 5 2HG ARG 5 -4.735 6.182 -6.922 44 2HG ARG 5 1HG ARG 5 -4.587 4.673 -6.019 45 1HD ARG 5 2HD ARG 5 -6.748 5.706 -5.599 46 2HD ARG 5 1HD ARG 5 -5.773 5.695 -4.130 47 HE ARG 5 HE ARG 5 -5.435 8.136 -5.524 48 1HH1 ARG 5 1HH1 ARG 5 -7.726 6.417 -3.518 49 2HH1 ARG 5 2HH1 ARG 5 -8.485 7.853 -2.919 50 1HH2 ARG 5 1HH2 ARG 5 -6.435 10.047 -4.739 51 2HH2 ARG 5 2HH2 ARG 5 -7.749 9.924 -3.618 52 H ILE 6 H ILE 6 -0.896 4.563 -4.163 53 HA ILE 6 HA ILE 6 -1.898 1.953 -4.757 54 HB ILE 6 HB ILE 6 0.930 2.788 -4.094 55 1HG1 ILE 6 2HG1 ILE 6 0.081 3.975 -6.054 56 2HG1 ILE 6 1HG1 ILE 6 1.286 2.786 -6.533 57 1HG2 ILE 6 1HG2 ILE 6 0.997 0.585 -5.780 58 2HG2 ILE 6 2HG2 ILE 6 -0.270 0.208 -4.613 59 3HG2 ILE 6 3HG2 ILE 6 1.355 0.604 -4.054 60 1HD1 ILE 6 1HD1 ILE 6 -0.480 1.277 -7.259 61 2HD1 ILE 6 2HD1 ILE 6 -0.597 2.836 -8.073 62 3HD1 ILE 6 3HD1 ILE 6 -1.698 2.447 -6.751 63 H CYS 7 H CYS 7 -0.355 3.443 -1.967 64 HA CYS 7 HA CYS 7 -0.197 1.152 -0.357 65 1HB CYS 7 2HB CYS 7 -0.460 4.072 0.355 66 2HB CYS 7 1HB CYS 7 -0.193 2.808 1.544 67 H ASN 8 H ASN 8 -2.794 3.267 -1.171 68 HA ASN 8 HA ASN 8 -4.612 2.787 0.905 69 1HB ASN 8 2HB ASN 8 -4.920 4.486 -0.870 70 2HB ASN 8 1HB ASN 8 -5.217 3.205 -2.031 71 1HD2 ASN 8 1HD2 ASN 8 -7.263 2.923 -2.469 72 2HD2 ASN 8 2HD2 ASN 8 -8.586 3.159 -1.385 73 H LEU 9 H LEU 9 -4.362 1.202 -2.250 74 HA LEU 9 HA LEU 9 -6.240 -0.829 -1.599 75 1HB LEU 9 2HB LEU 9 -5.500 -1.924 -3.680 76 2HB LEU 9 1HB LEU 9 -5.929 -0.243 -3.905 77 HG LEU 9 HG LEU 9 -3.288 0.057 -3.590 78 1HD1 LEU 9 1HD1 LEU 9 -3.142 -2.498 -3.337 79 2HD1 LEU 9 2HD1 LEU 9 -1.997 -1.694 -4.409 80 3HD1 LEU 9 3HD1 LEU 9 -3.392 -2.538 -5.082 81 1HD2 LEU 9 1HD2 LEU 9 -3.465 0.807 -5.674 82 2HD2 LEU 9 2HD2 LEU 9 -5.118 0.196 -5.666 83 3HD2 LEU 9 3HD2 LEU 9 -3.812 -0.804 -6.301 84 H ALA 10 H ALA 10 -2.798 -0.494 -1.299 85 HA ALA 10 HA ALA 10 -2.093 -3.172 -0.884 86 1HB ALA 10 1HB ALA 10 -0.263 -1.819 -1.196 87 2HB ALA 10 2HB ALA 10 -0.216 -2.055 0.551 88 3HB ALA 10 3HB ALA 10 -0.872 -0.562 -0.119 89 H CYS 11 H CYS 11 -3.086 -0.671 1.457 90 HA CYS 11 HA CYS 11 -2.810 -2.324 3.745 91 1HB CYS 11 2HB CYS 11 -4.727 0.001 3.411 92 2HB CYS 11 1HB CYS 11 -4.149 -0.667 4.926 93 H ARG 12 H ARG 12 -5.586 -1.518 1.689 94 HA ARG 12 HA ARG 12 -7.542 -2.884 3.135 95 1HB ARG 12 2HB ARG 12 -8.078 -1.253 1.406 96 2HB ARG 12 1HB ARG 12 -7.428 -2.323 0.172 97 1HG ARG 12 2HG ARG 12 -9.184 -3.887 0.479 98 2HG ARG 12 1HG ARG 12 -9.737 -3.074 1.944 99 1HD ARG 12 2HD ARG 12 -9.769 -1.875 -0.825 100 2HD ARG 12 1HD ARG 12 -11.159 -2.601 -0.021 101 HE ARG 12 HE ARG 12 -10.155 0.024 0.360 102 1HH1 ARG 12 1HH1 ARG 12 -11.673 -2.623 2.080 103 2HH1 ARG 12 2HH1 ARG 12 -12.339 -1.610 3.317 104 1HH2 ARG 12 1HH2 ARG 12 -11.037 1.370 1.989 105 2HH2 ARG 12 2HH2 ARG 12 -11.977 0.669 3.263 106 H ALA 13 H ALA 13 -5.508 -4.033 0.469 107 HA ALA 13 HA ALA 13 -6.708 -6.664 0.597 108 1HB ALA 13 1HB ALA 13 -6.049 -6.694 -1.523 109 2HB ALA 13 2HB ALA 13 -4.376 -6.774 -0.968 110 3HB ALA 13 3HB ALA 13 -5.124 -5.210 -1.292 111 H GLY 14 H GLY 14 -4.648 -5.121 2.517 112 1HA GLY 14 2HA GLY 14 -3.168 -5.762 4.147 113 2HA GLY 14 1HA GLY 14 -3.756 -7.387 3.900 114 H ILE 15 H ILE 15 -2.469 -5.807 1.193 115 HA ILE 15 HA ILE 15 -0.223 -7.651 1.197 116 HB ILE 15 HB ILE 15 0.183 -6.786 -1.128 117 1HG1 ILE 15 2HG1 ILE 15 -2.446 -5.375 -0.615 118 2HG1 ILE 15 1HG1 ILE 15 -0.890 -4.604 -0.906 119 1HG2 ILE 15 1HG2 ILE 15 -2.427 -8.077 -0.385 120 2HG2 ILE 15 2HG2 ILE 15 -0.938 -8.845 -0.938 121 3HG2 ILE 15 3HG2 ILE 15 -1.907 -7.890 -2.059 122 1HD1 ILE 15 1HD1 ILE 15 -1.676 -4.443 -2.999 123 2HD1 ILE 15 2HD1 ILE 15 -2.805 -5.781 -2.793 124 3HD1 ILE 15 3HD1 ILE 15 -1.105 -6.106 -3.128 125 H GLY 16 H GLY 16 -0.535 -5.215 2.887 126 1HA GLY 16 2HA GLY 16 1.298 -3.225 2.100 127 2HA GLY 16 1HA GLY 16 0.837 -3.584 3.758 128 H HIS 17 H HIS 17 1.765 -6.291 3.754 129 HA HIS 17 HA HIS 17 4.503 -5.812 4.390 130 1HB HIS 17 2HB HIS 17 2.929 -7.474 5.530 131 2HB HIS 17 1HB HIS 17 3.192 -8.520 4.141 132 HD1 HIS 17 1HD HIS 17 4.078 -10.002 6.344 133 HD2 HIS 17 2HD HIS 17 6.509 -6.943 4.924 134 HE1 HIS 17 1HE HIS 17 6.375 -10.496 7.240 135 H LYS 18 H LYS 18 2.810 -6.889 1.611 136 HA LYS 18 HA LYS 18 5.099 -8.134 0.369 137 1HB LYS 18 2HB LYS 18 2.342 -7.484 -0.673 138 2HB LYS 18 1HB LYS 18 3.582 -8.292 -1.622 139 1HG LYS 18 2HG LYS 18 3.626 -10.118 0.018 140 2HG LYS 18 1HG LYS 18 2.345 -9.313 0.926 141 1HD LYS 18 2HD LYS 18 1.441 -11.081 -0.498 142 2HD LYS 18 1HD LYS 18 0.855 -9.495 -1.002 143 1HE LYS 18 2HE LYS 18 1.474 -10.862 -2.929 144 2HE LYS 18 1HE LYS 18 2.514 -9.445 -2.795 145 1HZ LYS 18 1HZ LYS 18 4.242 -10.807 -2.828 146 2HZ LYS 18 2HZ LYS 18 3.241 -12.169 -2.831 147 3HZ LYS 18 3HZ LYS 18 3.736 -11.488 -1.364 148 H TYR 19 H TYR 19 3.444 -5.042 0.244 149 HA TYR 19 HA TYR 19 5.054 -4.164 -2.015 150 1HB TYR 19 2HB TYR 19 2.805 -2.930 -0.446 151 2HB TYR 19 1HB TYR 19 3.777 -1.960 -1.547 152 HD1 TYR 19 1HD TYR 19 2.881 -5.491 -2.177 153 HD2 TYR 19 2HD TYR 19 2.021 -1.423 -3.068 154 HE1 TYR 19 1HE TYR 19 1.471 -6.208 -4.058 155 HE2 TYR 19 2HE TYR 19 0.607 -2.129 -4.951 156 HH TYR 19 HH TYR 19 0.473 -4.194 -6.480 157 HA PRO 20 HA PRO 20 8.309 -2.895 0.821 158 1HB PRO 20 2HB PRO 20 9.299 -1.673 -1.702 159 2HB PRO 20 1HB PRO 20 10.135 -2.729 -0.558 160 1HG PRO 20 2HG PRO 20 9.303 -3.666 -2.904 161 2HG PRO 20 1HG PRO 20 9.181 -4.654 -1.436 162 1HD PRO 20 2HD PRO 20 7.049 -3.143 -2.890 163 2HD PRO 20 1HD PRO 20 6.968 -4.734 -2.103 164 H PHE 21 H PHE 21 7.092 -0.703 -1.704 165 HA PHE 21 HA PHE 21 7.742 1.634 -0.165 166 1HB PHE 21 2HB PHE 21 6.463 2.793 -2.069 167 2HB PHE 21 1HB PHE 21 7.964 1.967 -2.467 168 HD1 PHE 21 1HD PHE 21 7.967 0.744 -4.388 169 HD2 PHE 21 2HD PHE 21 4.318 1.141 -2.234 170 HE1 PHE 21 1HE PHE 21 6.804 -0.552 -6.126 171 HE2 PHE 21 2HE PHE 21 3.151 -0.158 -3.965 172 HZ PHE 21 HZ PHE 21 4.393 -1.006 -5.915 173 H CYS 22 H CYS 22 5.339 -0.547 0.201 174 HA CYS 22 HA CYS 22 3.651 1.426 1.542 175 1HB CYS 22 2HB CYS 22 2.662 -0.580 -0.493 176 2HB CYS 22 1HB CYS 22 1.606 0.162 0.701 177 H HIS 23 H HIS 23 5.279 0.113 3.001 178 HA HIS 23 HA HIS 23 4.560 -2.523 3.776 179 1HB HIS 23 2HB HIS 23 6.389 -0.425 4.851 180 2HB HIS 23 1HB HIS 23 5.958 -1.776 5.893 181 HD1 HIS 23 1HD HIS 23 8.834 -1.619 5.191 182 HD2 HIS 23 2HD HIS 23 6.086 -3.568 2.758 183 HE1 HIS 23 1HE HIS 23 10.177 -3.257 3.840 184 H CYS 24 H CYS 24 2.250 -1.400 3.746 185 HA CYS 24 HA CYS 24 1.357 -0.317 6.253 186 1HB CYS 24 2HB CYS 24 0.421 0.079 3.887 187 2HB CYS 24 1HB CYS 24 -0.362 -1.485 4.078 188 H ARG 25 H ARG 25 -0.809 -1.469 7.040 189 HA ARG 25 HA ARG 25 -0.797 -4.315 7.049 190 1HB ARG 25 2HB ARG 25 -0.012 -4.828 9.186 191 2HB ARG 25 1HB ARG 25 1.143 -3.640 8.613 192 1HG ARG 25 2HG ARG 25 -1.143 -3.101 10.500 193 2HG ARG 25 1HG ARG 25 0.547 -3.296 10.955 194 1HD ARG 25 2HD ARG 25 -0.674 -1.087 9.310 195 2HD ARG 25 1HD ARG 25 0.037 -0.959 10.916 196 HE ARG 25 HE ARG 25 1.896 -1.918 8.958 197 1HH1 ARG 25 1HH1 ARG 25 0.448 0.936 10.361 198 2HH1 ARG 25 2HH1 ARG 25 1.703 2.002 9.823 199 1HH2 ARG 25 1HH2 ARG 25 3.548 -0.512 8.203 200 2HH2 ARG 25 2HH2 ARG 25 3.474 1.175 8.600 201 1HN NH2 26 1H ARG 25 -2.538 -5.160 8.521 202 2HN NH2 26 2H ARG 25 -3.956 -4.184 8.390 Start of MODEL 17 1 1H PHE 1 1HT PHE 1 8.488 13.644 1.190 2 2H PHE 1 2HT PHE 1 6.879 13.630 1.709 3 3H PHE 1 3HT PHE 1 7.546 15.044 1.061 4 HA PHE 1 HA PHE 1 7.042 14.463 -0.985 5 1HB PHE 1 2HB PHE 1 7.795 12.273 -1.902 6 2HB PHE 1 1HB PHE 1 9.073 13.132 -1.055 7 HD1 PHE 1 1HD PHE 1 10.225 12.131 0.715 8 HD2 PHE 1 2HD PHE 1 6.622 10.366 -0.709 9 HE1 PHE 1 1HE PHE 1 10.671 10.130 2.073 10 HE2 PHE 1 2HE PHE 1 7.060 8.366 0.654 11 HZ PHE 1 HZ PHE 1 9.087 8.246 2.047 12 HA PRO 2 HA PRO 2 2.991 12.770 -0.543 13 1HB PRO 2 2HB PRO 2 2.836 12.251 -3.407 14 2HB PRO 2 1HB PRO 2 1.996 13.476 -2.454 15 1HG PRO 2 2HG PRO 2 3.940 14.075 -4.249 16 2HG PRO 2 1HG PRO 2 3.623 15.051 -2.803 17 1HD PRO 2 2HD PRO 2 5.768 13.021 -3.293 18 2HD PRO 2 1HD PRO 2 5.862 14.583 -2.449 19 H ARG 3 H ARG 3 2.257 10.795 -0.025 20 HA ARG 3 HA ARG 3 3.799 8.487 -0.752 21 1HB ARG 3 2HB ARG 3 1.276 8.758 0.887 22 2HB ARG 3 1HB ARG 3 2.143 7.247 0.651 23 1HG ARG 3 2HG ARG 3 4.144 8.317 1.686 24 2HG ARG 3 1HG ARG 3 3.133 9.713 2.063 25 1HD ARG 3 2HD ARG 3 1.640 8.270 3.367 26 2HD ARG 3 1HD ARG 3 2.665 6.884 3.001 27 HE ARG 3 HE ARG 3 4.096 7.555 4.641 28 1HH1 ARG 3 1HH1 ARG 3 2.017 10.254 3.839 29 2HH1 ARG 3 2HH1 ARG 3 2.639 11.278 5.090 30 1HH2 ARG 3 1HH2 ARG 3 4.928 8.900 6.295 31 2HH2 ARG 3 2HH2 ARG 3 4.302 10.504 6.492 32 HA PRO 4 HA PRO 4 1.551 7.243 -4.314 33 1HB PRO 4 2HB PRO 4 1.884 4.527 -4.119 34 2HB PRO 4 1HB PRO 4 3.119 5.635 -4.722 35 1HG PRO 4 2HG PRO 4 2.837 4.399 -2.018 36 2HG PRO 4 1HG PRO 4 4.302 4.684 -2.976 37 1HD PRO 4 2HD PRO 4 3.586 6.272 -0.908 38 2HD PRO 4 1HD PRO 4 4.441 6.896 -2.332 39 H ARG 5 H ARG 5 -0.503 6.756 -4.811 40 HA ARG 5 HA ARG 5 -2.404 6.326 -2.764 41 1HB ARG 5 2HB ARG 5 -2.491 6.553 -5.728 42 2HB ARG 5 1HB ARG 5 -3.876 5.821 -4.930 43 1HG ARG 5 2HG ARG 5 -4.114 8.254 -5.333 44 2HG ARG 5 1HG ARG 5 -4.265 7.796 -3.637 45 1HD ARG 5 2HD ARG 5 -1.959 8.488 -3.239 46 2HD ARG 5 1HD ARG 5 -1.785 8.915 -4.939 47 HE ARG 5 HE ARG 5 -3.948 10.349 -3.996 48 1HH1 ARG 5 1HH1 ARG 5 -0.542 10.103 -3.214 49 2HH1 ARG 5 2HH1 ARG 5 -0.393 11.769 -2.768 50 1HH2 ARG 5 1HH2 ARG 5 -3.758 12.553 -3.395 51 2HH2 ARG 5 2HH2 ARG 5 -2.230 13.166 -2.864 52 H ILE 6 H ILE 6 -0.446 4.185 -4.481 53 HA ILE 6 HA ILE 6 -2.032 1.886 -4.688 54 HB ILE 6 HB ILE 6 0.916 1.967 -4.059 55 1HG1 ILE 6 2HG1 ILE 6 -0.435 2.061 -6.770 56 2HG1 ILE 6 1HG1 ILE 6 0.369 3.419 -5.990 57 1HG2 ILE 6 1HG2 ILE 6 -0.291 -0.088 -5.823 58 2HG2 ILE 6 2HG2 ILE 6 -0.614 -0.210 -4.094 59 3HG2 ILE 6 3HG2 ILE 6 1.048 -0.218 -4.685 60 1HD1 ILE 6 1HD1 ILE 6 1.510 1.695 -7.773 61 2HD1 ILE 6 2HD1 ILE 6 2.060 1.061 -6.222 62 3HD1 ILE 6 3HD1 ILE 6 2.382 2.740 -6.651 63 H CYS 7 H CYS 7 -0.282 3.304 -2.022 64 HA CYS 7 HA CYS 7 -0.247 1.191 -0.218 65 1HB CYS 7 2HB CYS 7 -0.533 4.159 0.257 66 2HB CYS 7 1HB CYS 7 -0.238 2.990 1.532 67 H ASN 8 H ASN 8 -2.817 3.302 -1.202 68 HA ASN 8 HA ASN 8 -4.645 2.849 0.907 69 1HB ASN 8 2HB ASN 8 -5.079 3.563 -1.995 70 2HB ASN 8 1HB ASN 8 -6.398 3.438 -0.840 71 1HD2 ASN 8 1HD2 ASN 8 -3.980 4.498 1.007 72 2HD2 ASN 8 2HD2 ASN 8 -4.181 6.204 0.838 73 H LEU 9 H LEU 9 -4.067 1.180 -2.125 74 HA LEU 9 HA LEU 9 -6.127 -0.771 -1.726 75 1HB LEU 9 2HB LEU 9 -5.539 -0.266 -3.976 76 2HB LEU 9 1HB LEU 9 -3.834 -0.520 -3.660 77 HG LEU 9 HG LEU 9 -4.318 -2.940 -3.304 78 1HD1 LEU 9 1HD1 LEU 9 -7.035 -2.212 -4.398 79 2HD1 LEU 9 2HD1 LEU 9 -6.693 -2.737 -2.749 80 3HD1 LEU 9 3HD1 LEU 9 -6.438 -3.843 -4.099 81 1HD2 LEU 9 1HD2 LEU 9 -3.672 -3.148 -5.413 82 2HD2 LEU 9 2HD2 LEU 9 -4.127 -1.470 -5.703 83 3HD2 LEU 9 3HD2 LEU 9 -5.294 -2.762 -5.980 84 H ALA 10 H ALA 10 -2.660 -0.613 -1.377 85 HA ALA 10 HA ALA 10 -2.041 -3.226 -0.792 86 1HB ALA 10 1HB ALA 10 -0.134 -2.043 -0.989 87 2HB ALA 10 2HB ALA 10 -0.257 -1.986 0.770 88 3HB ALA 10 3HB ALA 10 -0.807 -0.618 -0.198 89 H CYS 11 H CYS 11 -3.077 -0.710 1.523 90 HA CYS 11 HA CYS 11 -2.804 -2.360 3.801 91 1HB CYS 11 2HB CYS 11 -4.705 -0.027 3.470 92 2HB CYS 11 1HB CYS 11 -4.146 -0.708 4.986 93 H ARG 12 H ARG 12 -5.674 -1.546 1.849 94 HA ARG 12 HA ARG 12 -7.478 -3.048 3.391 95 1HB ARG 12 2HB ARG 12 -9.079 -2.722 1.647 96 2HB ARG 12 1HB ARG 12 -8.133 -1.251 1.803 97 1HG ARG 12 2HG ARG 12 -6.779 -1.991 -0.148 98 2HG ARG 12 1HG ARG 12 -7.891 -3.349 -0.338 99 1HD ARG 12 2HD ARG 12 -8.584 -1.629 -1.838 100 2HD ARG 12 1HD ARG 12 -9.753 -1.691 -0.518 101 HE ARG 12 HE ARG 12 -7.756 0.207 0.080 102 1HH1 ARG 12 1HH1 ARG 12 -10.491 -0.265 -2.054 103 2HH1 ARG 12 2HH1 ARG 12 -10.815 1.428 -2.230 104 1HH2 ARG 12 1HH2 ARG 12 -8.182 2.444 -0.141 105 2HH2 ARG 12 2HH2 ARG 12 -9.493 2.976 -1.138 106 H ALA 13 H ALA 13 -5.484 -3.967 0.633 107 HA ALA 13 HA ALA 13 -6.718 -6.592 0.524 108 1HB ALA 13 1HB ALA 13 -5.201 -7.023 -1.335 109 2HB ALA 13 2HB ALA 13 -4.378 -5.494 -1.026 110 3HB ALA 13 3HB ALA 13 -6.058 -5.498 -1.561 111 H GLY 14 H GLY 14 -4.646 -5.215 2.546 112 1HA GLY 14 2HA GLY 14 -3.138 -5.977 4.096 113 2HA GLY 14 1HA GLY 14 -3.752 -7.573 3.748 114 H ILE 15 H ILE 15 -2.450 -5.808 1.157 115 HA ILE 15 HA ILE 15 -0.197 -7.663 1.065 116 HB ILE 15 HB ILE 15 0.152 -6.843 -1.250 117 1HG1 ILE 15 2HG1 ILE 15 -2.357 -5.242 -0.698 118 2HG1 ILE 15 1HG1 ILE 15 -0.747 -4.586 -0.979 119 1HG2 ILE 15 1HG2 ILE 15 -1.894 -8.487 -0.271 120 2HG2 ILE 15 2HG2 ILE 15 -1.187 -8.494 -1.887 121 3HG2 ILE 15 3HG2 ILE 15 -2.620 -7.521 -1.556 122 1HD1 ILE 15 1HD1 ILE 15 -2.278 -6.198 -3.004 123 2HD1 ILE 15 2HD1 ILE 15 -0.783 -5.297 -3.253 124 3HD1 ILE 15 3HD1 ILE 15 -2.287 -4.436 -2.922 125 H GLY 16 H GLY 16 -0.612 -5.231 2.762 126 1HA GLY 16 2HA GLY 16 1.169 -3.189 2.011 127 2HA GLY 16 1HA GLY 16 0.699 -3.567 3.662 128 H HIS 17 H HIS 17 1.738 -6.175 3.821 129 HA HIS 17 HA HIS 17 4.481 -5.542 4.324 130 1HB HIS 17 2HB HIS 17 2.925 -8.110 4.602 131 2HB HIS 17 1HB HIS 17 4.629 -7.967 5.021 132 HD1 HIS 17 1HD HIS 17 4.881 -5.572 6.670 133 HD2 HIS 17 2HD HIS 17 1.479 -7.948 6.871 134 HE1 HIS 17 1HE HIS 17 3.841 -5.067 8.900 135 H LYS 18 H LYS 18 2.805 -6.735 1.646 136 HA LYS 18 HA LYS 18 5.024 -8.203 0.523 137 1HB LYS 18 2HB LYS 18 2.343 -7.411 -0.619 138 2HB LYS 18 1HB LYS 18 3.536 -8.371 -1.482 139 1HG LYS 18 2HG LYS 18 3.344 -10.151 0.111 140 2HG LYS 18 1HG LYS 18 2.299 -9.171 1.144 141 1HD LYS 18 2HD LYS 18 1.007 -10.789 -0.169 142 2HD LYS 18 1HD LYS 18 0.595 -9.129 -0.601 143 1HE LYS 18 2HE LYS 18 2.143 -9.310 -2.536 144 2HE LYS 18 1HE LYS 18 2.393 -11.006 -2.130 145 1HZ LYS 18 1HZ LYS 18 0.533 -11.539 -3.185 146 2HZ LYS 18 2HZ LYS 18 0.391 -9.937 -3.708 147 3HZ LYS 18 3HZ LYS 18 -0.374 -10.429 -2.282 148 H TYR 19 H TYR 19 3.472 -5.068 0.130 149 HA TYR 19 HA TYR 19 5.335 -4.361 -2.012 150 1HB TYR 19 2HB TYR 19 2.921 -2.949 -0.864 151 2HB TYR 19 1HB TYR 19 3.966 -2.230 -2.084 152 HD1 TYR 19 1HD TYR 19 2.806 -5.767 -1.859 153 HD2 TYR 19 2HD TYR 19 2.560 -2.073 -3.953 154 HE1 TYR 19 1HE TYR 19 1.500 -6.864 -3.622 155 HE2 TYR 19 2HE TYR 19 1.250 -3.165 -5.728 156 HH TYR 19 HH TYR 19 0.467 -5.102 -6.517 157 HA PRO 20 HA PRO 20 8.135 -2.831 1.184 158 1HB PRO 20 2HB PRO 20 9.798 -1.649 -0.728 159 2HB PRO 20 1HB PRO 20 9.964 -3.278 -0.066 160 1HG PRO 20 2HG PRO 20 8.711 -2.387 -2.622 161 2HG PRO 20 1HG PRO 20 9.664 -3.844 -2.283 162 1HD PRO 20 2HD PRO 20 7.007 -3.960 -2.530 163 2HD PRO 20 1HD PRO 20 7.855 -4.948 -1.319 164 H PHE 21 H PHE 21 7.259 -0.796 -1.615 165 HA PHE 21 HA PHE 21 7.796 1.637 -0.269 166 1HB PHE 21 2HB PHE 21 6.451 2.652 -2.185 167 2HB PHE 21 1HB PHE 21 7.899 1.753 -2.612 168 HD1 PHE 21 1HD PHE 21 4.208 1.337 -2.293 169 HD2 PHE 21 2HD PHE 21 7.796 0.124 -4.231 170 HE1 PHE 21 1HE PHE 21 2.896 -0.042 -3.847 171 HE2 PHE 21 2HE PHE 21 6.490 -1.259 -5.790 172 HZ PHE 21 HZ PHE 21 4.036 -1.343 -5.600 173 H CYS 22 H CYS 22 5.135 -0.501 -0.154 174 HA CYS 22 HA CYS 22 3.646 1.498 1.406 175 1HB CYS 22 2HB CYS 22 2.553 -0.450 -0.625 176 2HB CYS 22 1HB CYS 22 1.541 0.297 0.606 177 H HIS 23 H HIS 23 5.314 0.092 2.741 178 HA HIS 23 HA HIS 23 4.563 -2.507 3.549 179 1HB HIS 23 2HB HIS 23 6.129 -2.041 5.511 180 2HB HIS 23 1HB HIS 23 6.826 -1.971 3.898 181 HD1 HIS 23 1HD HIS 23 7.379 0.450 2.962 182 HD2 HIS 23 2HD HIS 23 6.328 0.273 6.987 183 HE1 HIS 23 1HE HIS 23 8.038 2.674 3.934 184 H CYS 24 H CYS 24 2.292 -1.419 3.649 185 HA CYS 24 HA CYS 24 1.506 -0.292 6.170 186 1HB CYS 24 2HB CYS 24 0.453 0.106 3.896 187 2HB CYS 24 1HB CYS 24 -0.238 -1.505 4.030 188 H ARG 25 H ARG 25 -0.662 -1.460 6.999 189 HA ARG 25 HA ARG 25 0.229 -3.772 8.375 190 1HB ARG 25 2HB ARG 25 -2.561 -2.640 8.080 191 2HB ARG 25 1HB ARG 25 -2.104 -3.898 9.219 192 1HG ARG 25 2HG ARG 25 -1.018 -1.088 9.189 193 2HG ARG 25 1HG ARG 25 -2.257 -1.703 10.285 194 1HD ARG 25 2HD ARG 25 0.587 -2.695 10.081 195 2HD ARG 25 1HD ARG 25 -0.060 -1.664 11.357 196 HE ARG 25 HE ARG 25 -1.600 -4.009 11.200 197 1HH1 ARG 25 1HH1 ARG 25 1.588 -2.944 12.160 198 2HH1 ARG 25 2HH1 ARG 25 1.808 -4.206 13.325 199 1HH2 ARG 25 1HH2 ARG 25 -1.320 -5.693 12.734 200 2HH2 ARG 25 2HH2 ARG 25 0.149 -5.781 13.649 201 1HN NH2 26 1H ARG 25 -2.656 -5.008 5.791 202 2HN NH2 26 2H ARG 25 -2.025 -3.413 5.591 Start of MODEL 18 1 1H PHE 1 1HT PHE 1 4.385 10.715 7.497 2 2H PHE 1 2HT PHE 1 3.200 11.124 6.362 3 3H PHE 1 3HT PHE 1 4.500 12.169 6.638 4 HA PHE 1 HA PHE 1 5.918 11.011 5.364 5 1HB PHE 1 2HB PHE 1 5.852 9.095 6.902 6 2HB PHE 1 1HB PHE 1 4.344 8.549 6.180 7 HD1 PHE 1 1HD PHE 1 7.692 9.592 4.873 8 HD2 PHE 1 2HD PHE 1 4.595 6.674 4.909 9 HE1 PHE 1 1HE PHE 1 8.957 8.234 3.258 10 HE2 PHE 1 2HE PHE 1 5.855 5.311 3.294 11 HZ PHE 1 HZ PHE 1 8.038 6.092 2.465 12 HA PRO 2 HA PRO 2 3.094 11.356 1.892 13 1HB PRO 2 2HB PRO 2 5.398 11.525 0.157 14 2HB PRO 2 1HB PRO 2 4.295 12.812 0.643 15 1HG PRO 2 2HG PRO 2 6.917 12.675 1.419 16 2HG PRO 2 1HG PRO 2 5.653 13.505 2.343 17 1HD PRO 2 2HD PRO 2 6.849 10.794 2.771 18 2HD PRO 2 1HD PRO 2 6.389 12.027 3.964 19 H ARG 3 H ARG 3 2.856 8.946 2.488 20 HA ARG 3 HA ARG 3 4.294 7.058 0.919 21 1HB ARG 3 2HB ARG 3 2.586 5.432 1.739 22 2HB ARG 3 1HB ARG 3 3.410 6.317 3.010 23 1HG ARG 3 2HG ARG 3 1.218 6.301 3.727 24 2HG ARG 3 1HG ARG 3 1.352 7.877 2.944 25 1HD ARG 3 2HD ARG 3 0.227 7.105 1.007 26 2HD ARG 3 1HD ARG 3 0.344 5.425 1.525 27 HE ARG 3 HE ARG 3 -1.108 6.842 3.449 28 1HH1 ARG 3 1HH1 ARG 3 -1.382 5.861 0.113 29 2HH1 ARG 3 2HH1 ARG 3 -3.112 5.697 0.163 30 1HH2 ARG 3 1HH2 ARG 3 -3.404 6.629 3.527 31 2HH2 ARG 3 2HH2 ARG 3 -4.261 6.123 2.104 32 HA PRO 4 HA PRO 4 2.360 7.221 -3.005 33 1HB PRO 4 2HB PRO 4 2.357 4.250 -2.889 34 2HB PRO 4 1HB PRO 4 3.041 5.331 -4.109 35 1HG PRO 4 2HG PRO 4 4.615 4.067 -2.371 36 2HG PRO 4 1HG PRO 4 4.953 5.737 -2.866 37 1HD PRO 4 2HD PRO 4 3.762 4.717 -0.323 38 2HD PRO 4 1HD PRO 4 4.881 6.070 -0.584 39 H ARG 5 H ARG 5 0.417 6.930 -4.069 40 HA ARG 5 HA ARG 5 -1.901 6.695 -2.497 41 1HB ARG 5 2HB ARG 5 -3.138 6.772 -4.631 42 2HB ARG 5 1HB ARG 5 -1.906 8.018 -4.528 43 1HG ARG 5 2HG ARG 5 -0.456 6.780 -5.994 44 2HG ARG 5 1HG ARG 5 -1.575 5.415 -6.005 45 1HD ARG 5 2HD ARG 5 -3.279 6.840 -7.056 46 2HD ARG 5 1HD ARG 5 -2.137 8.182 -7.070 47 HE ARG 5 HE ARG 5 -2.243 5.968 -8.891 48 1HH1 ARG 5 1HH1 ARG 5 -0.173 8.444 -7.526 49 2HH1 ARG 5 2HH1 ARG 5 1.002 8.346 -8.796 50 1HH2 ARG 5 1HH2 ARG 5 -0.694 5.838 -10.572 51 2HH2 ARG 5 2HH2 ARG 5 0.703 6.860 -10.533 52 H ILE 6 H ILE 6 -0.024 4.361 -4.192 53 HA ILE 6 HA ILE 6 -1.879 2.298 -4.596 54 HB ILE 6 HB ILE 6 1.029 1.971 -3.887 55 1HG1 ILE 6 2HG1 ILE 6 -0.202 2.456 -6.611 56 2HG1 ILE 6 1HG1 ILE 6 0.733 3.633 -5.696 57 1HG2 ILE 6 1HG2 ILE 6 0.934 -0.145 -4.765 58 2HG2 ILE 6 2HG2 ILE 6 -0.416 0.240 -5.832 59 3HG2 ILE 6 3HG2 ILE 6 -0.696 -0.005 -4.107 60 1HD1 ILE 6 1HD1 ILE 6 2.637 1.962 -5.778 61 2HD1 ILE 6 2HD1 ILE 6 2.203 2.756 -7.292 62 3HD1 ILE 6 3HD1 ILE 6 1.683 1.099 -6.983 63 H CYS 7 H CYS 7 -0.110 3.326 -1.772 64 HA CYS 7 HA CYS 7 -0.246 1.128 -0.125 65 1HB CYS 7 2HB CYS 7 -0.559 4.044 0.581 66 2HB CYS 7 1HB CYS 7 -0.297 2.767 1.752 67 H ASN 8 H ASN 8 -2.790 3.284 -1.081 68 HA ASN 8 HA ASN 8 -4.670 2.778 0.940 69 1HB ASN 8 2HB ASN 8 -5.096 3.438 -1.978 70 2HB ASN 8 1HB ASN 8 -6.409 3.330 -0.813 71 1HD2 ASN 8 1HD2 ASN 8 -4.861 5.503 -2.438 72 2HD2 ASN 8 2HD2 ASN 8 -4.743 6.791 -1.291 73 H LEU 9 H LEU 9 -4.249 1.142 -2.198 74 HA LEU 9 HA LEU 9 -6.200 -0.848 -1.553 75 1HB LEU 9 2HB LEU 9 -5.485 -1.954 -3.628 76 2HB LEU 9 1HB LEU 9 -5.885 -0.268 -3.868 77 HG LEU 9 HG LEU 9 -3.244 -0.002 -3.569 78 1HD1 LEU 9 1HD1 LEU 9 -2.565 -2.205 -3.228 79 2HD1 LEU 9 2HD1 LEU 9 -2.244 -1.925 -4.940 80 3HD1 LEU 9 3HD1 LEU 9 -3.673 -2.836 -4.447 81 1HD2 LEU 9 1HD2 LEU 9 -3.829 0.895 -5.528 82 2HD2 LEU 9 2HD2 LEU 9 -5.061 -0.331 -5.827 83 3HD2 LEU 9 3HD2 LEU 9 -3.374 -0.662 -6.222 84 H ALA 10 H ALA 10 -2.772 -0.490 -1.234 85 HA ALA 10 HA ALA 10 -2.037 -3.162 -0.826 86 1HB ALA 10 1HB ALA 10 -0.712 -0.935 0.672 87 2HB ALA 10 2HB ALA 10 -0.568 -1.045 -1.083 88 3HB ALA 10 3HB ALA 10 0.003 -2.369 -0.069 89 H CYS 11 H CYS 11 -3.071 -0.684 1.520 90 HA CYS 11 HA CYS 11 -2.847 -2.379 3.788 91 1HB CYS 11 2HB CYS 11 -4.658 0.025 3.440 92 2HB CYS 11 1HB CYS 11 -4.195 -0.706 4.965 93 H ARG 12 H ARG 12 -5.514 -1.536 1.634 94 HA ARG 12 HA ARG 12 -7.590 -2.794 2.999 95 1HB ARG 12 2HB ARG 12 -7.964 -1.221 1.177 96 2HB ARG 12 1HB ARG 12 -7.263 -2.355 0.031 97 1HG ARG 12 2HG ARG 12 -9.080 -3.926 0.468 98 2HG ARG 12 1HG ARG 12 -9.786 -2.788 1.618 99 1HD ARG 12 2HD ARG 12 -10.077 -1.150 -0.166 100 2HD ARG 12 1HD ARG 12 -9.337 -2.259 -1.319 101 HE ARG 12 HE ARG 12 -11.350 -3.289 -1.527 102 1HH1 ARG 12 1HH1 ARG 12 -11.359 -1.555 1.516 103 2HH1 ARG 12 2HH1 ARG 12 -12.994 -1.976 1.901 104 1HH2 ARG 12 1HH2 ARG 12 -13.513 -3.844 -1.025 105 2HH2 ARG 12 2HH2 ARG 12 -14.223 -3.280 0.451 106 H ALA 13 H ALA 13 -5.503 -4.093 0.431 107 HA ALA 13 HA ALA 13 -6.761 -6.696 0.681 108 1HB ALA 13 1HB ALA 13 -4.322 -6.245 -0.973 109 2HB ALA 13 2HB ALA 13 -5.856 -5.535 -1.482 110 3HB ALA 13 3HB ALA 13 -5.715 -7.283 -1.280 111 H GLY 14 H GLY 14 -4.654 -5.148 2.518 112 1HA GLY 14 2HA GLY 14 -3.125 -5.776 4.112 113 2HA GLY 14 1HA GLY 14 -3.730 -7.399 3.899 114 H ILE 15 H ILE 15 -2.489 -5.814 1.167 115 HA ILE 15 HA ILE 15 -0.253 -7.678 1.115 116 HB ILE 15 HB ILE 15 0.094 -6.844 -1.227 117 1HG1 ILE 15 2HG1 ILE 15 -2.511 -5.401 -0.674 118 2HG1 ILE 15 1HG1 ILE 15 -0.950 -4.646 -0.982 119 1HG2 ILE 15 1HG2 ILE 15 -1.902 -8.000 -2.141 120 2HG2 ILE 15 2HG2 ILE 15 -2.590 -8.015 -0.517 121 3HG2 ILE 15 3HG2 ILE 15 -1.099 -8.894 -0.850 122 1HD1 ILE 15 1HD1 ILE 15 -2.933 -5.301 -2.837 123 2HD1 ILE 15 2HD1 ILE 15 -1.611 -6.434 -3.121 124 3HD1 ILE 15 3HD1 ILE 15 -1.309 -4.696 -3.163 125 H GLY 16 H GLY 16 -0.609 -5.156 2.721 126 1HA GLY 16 2HA GLY 16 1.262 -3.222 1.870 127 2HA GLY 16 1HA GLY 16 0.758 -3.488 3.536 128 H HIS 17 H HIS 17 1.612 -6.080 3.906 129 HA HIS 17 HA HIS 17 4.339 -5.669 4.496 130 1HB HIS 17 2HB HIS 17 4.355 -8.044 5.210 131 2HB HIS 17 1HB HIS 17 3.030 -7.128 5.905 132 HD1 HIS 17 1HD HIS 17 2.363 -9.838 6.213 133 HD2 HIS 17 2HD HIS 17 1.857 -8.091 2.475 134 HE1 HIS 17 1HE HIS 17 0.743 -11.320 4.990 135 H LYS 18 H LYS 18 2.800 -6.692 1.656 136 HA LYS 18 HA LYS 18 5.123 -8.109 0.631 137 1HB LYS 18 2HB LYS 18 2.787 -8.916 0.218 138 2HB LYS 18 1HB LYS 18 2.507 -7.479 -0.750 139 1HG LYS 18 2HG LYS 18 4.803 -9.229 -1.462 140 2HG LYS 18 1HG LYS 18 3.171 -9.781 -1.839 141 1HD LYS 18 2HD LYS 18 2.767 -7.693 -3.071 142 2HD LYS 18 1HD LYS 18 4.412 -7.170 -2.710 143 1HE LYS 18 2HE LYS 18 5.306 -9.060 -3.949 144 2HE LYS 18 1HE LYS 18 3.674 -9.646 -4.266 145 1HZ LYS 18 1HZ LYS 18 4.507 -8.467 -6.172 146 2HZ LYS 18 2HZ LYS 18 4.845 -7.097 -5.241 147 3HZ LYS 18 3HZ LYS 18 3.242 -7.577 -5.486 148 H TYR 19 H TYR 19 3.476 -5.027 0.281 149 HA TYR 19 HA TYR 19 5.190 -4.258 -1.946 150 1HB TYR 19 2HB TYR 19 2.878 -2.930 -0.555 151 2HB TYR 19 1HB TYR 19 3.897 -2.037 -1.677 152 HD1 TYR 19 1HD TYR 19 2.641 -1.677 -3.593 153 HD2 TYR 19 2HD TYR 19 2.601 -5.539 -1.814 154 HE1 TYR 19 1HE TYR 19 1.336 -2.536 -5.495 155 HE2 TYR 19 2HE TYR 19 1.299 -6.407 -3.705 156 HH TYR 19 HH TYR 19 -0.216 -4.424 -5.969 157 HA PRO 20 HA PRO 20 8.327 -2.778 0.896 158 1HB PRO 20 2HB PRO 20 9.818 -1.573 -1.103 159 2HB PRO 20 1HB PRO 20 9.957 -3.263 -0.610 160 1HG PRO 20 2HG PRO 20 8.461 -2.075 -2.907 161 2HG PRO 20 1HG PRO 20 9.402 -3.576 -2.836 162 1HD PRO 20 2HD PRO 20 6.724 -3.600 -2.753 163 2HD PRO 20 1HD PRO 20 7.689 -4.748 -1.799 164 H PHE 21 H PHE 21 7.145 -0.686 -1.741 165 HA PHE 21 HA PHE 21 7.748 1.704 -0.272 166 1HB PHE 21 2HB PHE 21 6.542 2.827 -2.200 167 2HB PHE 21 1HB PHE 21 7.970 1.891 -2.618 168 HD1 PHE 21 1HD PHE 21 4.264 1.476 -2.350 169 HD2 PHE 21 2HD PHE 21 7.853 0.464 -4.402 170 HE1 PHE 21 1HE PHE 21 2.958 0.210 -4.003 171 HE2 PHE 21 2HE PHE 21 6.552 -0.805 -6.058 172 HZ PHE 21 HZ PHE 21 4.101 -0.932 -5.862 173 H CYS 22 H CYS 22 5.397 -0.492 0.178 174 HA CYS 22 HA CYS 22 3.700 1.445 1.534 175 1HB CYS 22 2HB CYS 22 2.723 -0.386 -0.659 176 2HB CYS 22 1HB CYS 22 1.648 0.177 0.613 177 H HIS 23 H HIS 23 5.343 0.012 2.863 178 HA HIS 23 HA HIS 23 4.606 -2.652 3.461 179 1HB HIS 23 2HB HIS 23 6.870 -1.451 3.823 180 2HB HIS 23 1HB HIS 23 6.166 -0.912 5.346 181 HD1 HIS 23 1HD HIS 23 6.460 -4.262 3.541 182 HD2 HIS 23 2HD HIS 23 6.828 -2.605 7.340 183 HE1 HIS 23 1HE HIS 23 7.125 -6.164 5.044 184 H CYS 24 H CYS 24 2.311 -1.514 3.586 185 HA CYS 24 HA CYS 24 1.495 -0.629 6.196 186 1HB CYS 24 2HB CYS 24 0.481 -0.004 3.937 187 2HB CYS 24 1HB CYS 24 -0.251 -1.604 3.939 188 H ARG 25 H ARG 25 -0.700 -1.869 6.858 189 HA ARG 25 HA ARG 25 0.215 -4.435 7.790 190 1HB ARG 25 2HB ARG 25 -2.451 -3.056 8.174 191 2HB ARG 25 1HB ARG 25 -1.926 -4.508 9.016 192 1HG ARG 25 2HG ARG 25 -0.063 -3.229 10.001 193 2HG ARG 25 1HG ARG 25 -0.676 -1.775 9.208 194 1HD ARG 25 2HD ARG 25 -2.793 -2.026 10.436 195 2HD ARG 25 1HD ARG 25 -2.142 -3.447 11.250 196 HE ARG 25 HE ARG 25 -1.701 -0.738 11.948 197 1HH1 ARG 25 1HH1 ARG 25 -0.079 -3.844 11.853 198 2HH1 ARG 25 2HH1 ARG 25 1.055 -3.437 13.097 199 1HH2 ARG 25 1HH2 ARG 25 -0.208 -0.199 13.595 200 2HH2 ARG 25 2HH2 ARG 25 0.979 -1.359 14.092 201 1HN NH2 26 1H ARG 25 -3.241 -5.292 6.769 202 2HN NH2 26 2H ARG 25 -2.994 -3.989 5.661 Start of MODEL 19 1 1H PHE 1 1HT PHE 1 10.411 9.886 4.347 2 2H PHE 1 2HT PHE 1 10.203 8.570 5.389 3 3H PHE 1 3HT PHE 1 8.854 9.332 4.709 4 HA PHE 1 HA PHE 1 10.796 8.309 2.822 5 1HB PHE 1 2HB PHE 1 10.791 6.545 4.529 6 2HB PHE 1 1HB PHE 1 9.032 6.517 4.519 7 HD1 PHE 1 1HD PHE 1 11.741 6.328 1.944 8 HD2 PHE 1 2HD PHE 1 8.140 4.681 3.502 9 HE1 PHE 1 1HE PHE 1 11.777 4.603 0.191 10 HE2 PHE 1 2HE PHE 1 8.170 2.952 1.753 11 HZ PHE 1 HZ PHE 1 9.990 2.911 0.095 12 HA PRO 2 HA PRO 2 7.129 9.570 0.573 13 1HB PRO 2 2HB PRO 2 8.520 8.596 -1.806 14 2HB PRO 2 1HB PRO 2 8.060 10.246 -1.385 15 1HG PRO 2 2HG PRO 2 10.635 9.423 -1.420 16 2HG PRO 2 1HG PRO 2 10.044 10.665 -0.302 17 1HD PRO 2 2HD PRO 2 10.577 7.759 0.202 18 2HD PRO 2 1HD PRO 2 10.946 9.166 1.223 19 H ARG 3 H ARG 3 5.330 8.476 -0.054 20 HA ARG 3 HA ARG 3 5.617 5.687 -0.896 21 1HB ARG 3 2HB ARG 3 3.755 6.668 1.267 22 2HB ARG 3 1HB ARG 3 3.652 5.080 0.524 23 1HG ARG 3 2HG ARG 3 5.983 4.649 1.300 24 2HG ARG 3 1HG ARG 3 5.907 6.170 2.186 25 1HD ARG 3 2HD ARG 3 3.972 3.892 2.571 26 2HD ARG 3 1HD ARG 3 5.415 4.132 3.550 27 HE ARG 3 HE ARG 3 4.408 5.966 4.571 28 1HH1 ARG 3 1HH1 ARG 3 2.322 4.600 2.117 29 2HH1 ARG 3 2HH1 ARG 3 0.916 5.458 2.655 30 1HH2 ARG 3 1HH2 ARG 3 2.554 7.101 5.285 31 2HH2 ARG 3 2HH2 ARG 3 1.047 6.882 4.460 32 HA PRO 4 HA PRO 4 2.824 7.007 -4.038 33 1HB PRO 4 2HB PRO 4 2.116 4.549 -4.961 34 2HB PRO 4 1HB PRO 4 3.672 5.307 -5.317 35 1HG PRO 4 2HG PRO 4 3.001 3.218 -3.290 36 2HG PRO 4 1HG PRO 4 4.422 3.344 -4.342 37 1HD PRO 4 2HD PRO 4 4.450 4.058 -1.721 38 2HD PRO 4 1HD PRO 4 5.480 4.830 -2.940 39 H ARG 5 H ARG 5 0.566 6.645 -4.744 40 HA ARG 5 HA ARG 5 -1.190 6.696 -2.513 41 1HB ARG 5 2HB ARG 5 -1.888 6.493 -5.447 42 2HB ARG 5 1HB ARG 5 -2.981 6.960 -4.152 43 1HG ARG 5 2HG ARG 5 -0.563 8.490 -5.094 44 2HG ARG 5 1HG ARG 5 -2.251 8.904 -5.386 45 1HD ARG 5 2HD ARG 5 -1.674 10.296 -3.622 46 2HD ARG 5 1HD ARG 5 -2.449 8.938 -2.808 47 HE ARG 5 HE ARG 5 0.267 8.377 -2.900 48 1HH1 ARG 5 1HH1 ARG 5 -1.827 10.785 -1.473 49 2HH1 ARG 5 2HH1 ARG 5 -0.770 11.107 -0.140 50 1HH2 ARG 5 1HH2 ARG 5 1.686 8.793 -1.143 51 2HH2 ARG 5 2HH2 ARG 5 1.233 9.975 0.045 52 H ILE 6 H ILE 6 -0.061 4.229 -4.592 53 HA ILE 6 HA ILE 6 -2.000 2.287 -4.671 54 HB ILE 6 HB ILE 6 0.895 1.704 -4.115 55 1HG1 ILE 6 2HG1 ILE 6 -0.376 2.364 -6.784 56 2HG1 ILE 6 1HG1 ILE 6 0.687 3.438 -5.881 57 1HG2 ILE 6 1HG2 ILE 6 -1.395 0.135 -4.932 58 2HG2 ILE 6 2HG2 ILE 6 0.195 -0.393 -4.382 59 3HG2 ILE 6 3HG2 ILE 6 -0.064 -0.003 -6.082 60 1HD1 ILE 6 1HD1 ILE 6 1.354 1.366 -7.726 61 2HD1 ILE 6 2HD1 ILE 6 2.066 1.011 -6.152 62 3HD1 ILE 6 3HD1 ILE 6 2.404 2.548 -6.946 63 H CYS 7 H CYS 7 -0.126 3.313 -1.942 64 HA CYS 7 HA CYS 7 -0.212 1.154 -0.238 65 1HB CYS 7 2HB CYS 7 -0.502 4.098 0.347 66 2HB CYS 7 1HB CYS 7 -0.304 2.882 1.595 67 H ASN 8 H ASN 8 -2.785 3.246 -1.243 68 HA ASN 8 HA ASN 8 -4.649 2.826 0.803 69 1HB ASN 8 2HB ASN 8 -6.307 3.641 -0.680 70 2HB ASN 8 1HB ASN 8 -4.828 4.470 -1.116 71 1HD2 ASN 8 1HD2 ASN 8 -7.482 3.296 -2.399 72 2HD2 ASN 8 2HD2 ASN 8 -6.904 2.760 -3.936 73 H LEU 9 H LEU 9 -4.354 1.101 -2.274 74 HA LEU 9 HA LEU 9 -6.240 -0.904 -1.522 75 1HB LEU 9 2HB LEU 9 -5.559 -2.068 -3.571 76 2HB LEU 9 1HB LEU 9 -5.948 -0.387 -3.859 77 HG LEU 9 HG LEU 9 -3.302 -0.136 -3.594 78 1HD1 LEU 9 1HD1 LEU 9 -2.143 -2.000 -4.628 79 2HD1 LEU 9 2HD1 LEU 9 -3.649 -2.911 -4.719 80 3HD1 LEU 9 3HD1 LEU 9 -2.948 -2.523 -3.148 81 1HD2 LEU 9 1HD2 LEU 9 -3.897 -1.130 -6.251 82 2HD2 LEU 9 2HD2 LEU 9 -3.472 0.497 -5.720 83 3HD2 LEU 9 3HD2 LEU 9 -5.149 -0.044 -5.647 84 H ALA 10 H ALA 10 -2.808 -0.519 -1.270 85 HA ALA 10 HA ALA 10 -2.041 -3.165 -0.777 86 1HB ALA 10 1HB ALA 10 -0.901 -0.541 0.139 87 2HB ALA 10 2HB ALA 10 -0.311 -1.617 -1.128 88 3HB ALA 10 3HB ALA 10 -0.165 -2.085 0.568 89 H CYS 11 H CYS 11 -3.138 -0.645 1.504 90 HA CYS 11 HA CYS 11 -2.939 -2.334 3.799 91 1HB CYS 11 2HB CYS 11 -4.759 0.062 3.475 92 2HB CYS 11 1HB CYS 11 -4.197 -0.636 4.978 93 H ARG 12 H ARG 12 -5.485 -1.522 1.526 94 HA ARG 12 HA ARG 12 -7.679 -2.625 2.835 95 1HB ARG 12 2HB ARG 12 -8.024 -1.197 0.956 96 2HB ARG 12 1HB ARG 12 -7.104 -2.259 -0.100 97 1HG ARG 12 2HG ARG 12 -9.468 -2.469 -0.549 98 2HG ARG 12 1HG ARG 12 -8.841 -3.974 0.122 99 1HD ARG 12 2HD ARG 12 -9.691 -3.283 2.345 100 2HD ARG 12 1HD ARG 12 -10.400 -1.853 1.597 101 HE ARG 12 HE ARG 12 -12.122 -3.145 0.857 102 1HH1 ARG 12 1HH1 ARG 12 -9.474 -5.279 1.743 103 2HH1 ARG 12 2HH1 ARG 12 -10.374 -6.725 1.422 104 1HH2 ARG 12 1HH2 ARG 12 -13.303 -5.061 0.444 105 2HH2 ARG 12 2HH2 ARG 12 -12.552 -6.603 0.686 106 H ALA 13 H ALA 13 -5.469 -4.178 0.520 107 HA ALA 13 HA ALA 13 -6.843 -6.716 1.000 108 1HB ALA 13 1HB ALA 13 -6.554 -6.755 -1.226 109 2HB ALA 13 2HB ALA 13 -4.936 -7.328 -0.820 110 3HB ALA 13 3HB ALA 13 -5.204 -5.619 -1.172 111 H GLY 14 H GLY 14 -4.620 -5.129 2.606 112 1HA GLY 14 2HA GLY 14 -3.014 -5.719 4.139 113 2HA GLY 14 1HA GLY 14 -3.600 -7.356 3.972 114 H ILE 15 H ILE 15 -2.433 -5.641 1.247 115 HA ILE 15 HA ILE 15 -0.274 -7.562 0.945 116 HB ILE 15 HB ILE 15 -0.886 -5.324 -0.970 117 1HG1 ILE 15 2HG1 ILE 15 -2.985 -6.572 -0.520 118 2HG1 ILE 15 1HG1 ILE 15 -2.420 -6.780 -2.174 119 1HG2 ILE 15 1HG2 ILE 15 0.819 -7.680 -0.978 120 2HG2 ILE 15 2HG2 ILE 15 0.886 -6.229 -1.977 121 3HG2 ILE 15 3HG2 ILE 15 -0.194 -7.552 -2.416 122 1HD1 ILE 15 1HD1 ILE 15 -1.311 -8.860 -0.594 123 2HD1 ILE 15 2HD1 ILE 15 -2.474 -8.972 -1.916 124 3HD1 ILE 15 3HD1 ILE 15 -3.040 -8.762 -0.258 125 H GLY 16 H GLY 16 -0.578 -5.087 2.758 126 1HA GLY 16 2HA GLY 16 1.383 -3.196 2.145 127 2HA GLY 16 1HA GLY 16 0.881 -3.623 3.774 128 H HIS 17 H HIS 17 1.704 -6.300 3.800 129 HA HIS 17 HA HIS 17 4.452 -5.928 4.380 130 1HB HIS 17 2HB HIS 17 4.492 -8.336 4.949 131 2HB HIS 17 1HB HIS 17 3.198 -7.461 5.747 132 HD1 HIS 17 1HD HIS 17 2.660 -10.262 5.861 133 HD2 HIS 17 2HD HIS 17 1.775 -8.150 2.391 134 HE1 HIS 17 1HE HIS 17 0.949 -11.646 4.647 135 H LYS 18 H LYS 18 2.844 -6.775 1.488 136 HA LYS 18 HA LYS 18 5.197 -8.111 0.394 137 1HB LYS 18 2HB LYS 18 2.488 -7.523 -0.799 138 2HB LYS 18 1HB LYS 18 3.797 -8.293 -1.683 139 1HG LYS 18 2HG LYS 18 3.787 -10.137 -0.061 140 2HG LYS 18 1HG LYS 18 2.437 -9.370 0.778 141 1HD LYS 18 2HD LYS 18 1.075 -9.544 -1.246 142 2HD LYS 18 1HD LYS 18 2.425 -10.297 -2.096 143 1HE LYS 18 2HE LYS 18 2.369 -12.170 -0.525 144 2HE LYS 18 1HE LYS 18 1.027 -11.414 0.333 145 1HZ LYS 18 1HZ LYS 18 0.308 -11.546 -2.349 146 2HZ LYS 18 2HZ LYS 18 -0.343 -12.431 -1.062 147 3HZ LYS 18 3HZ LYS 18 0.950 -13.061 -1.952 148 H TYR 19 H TYR 19 3.519 -5.044 0.220 149 HA TYR 19 HA TYR 19 5.159 -4.126 -1.997 150 1HB TYR 19 2HB TYR 19 2.917 -2.900 -0.409 151 2HB TYR 19 1HB TYR 19 3.874 -1.941 -1.530 152 HD1 TYR 19 1HD TYR 19 1.591 -1.528 -2.577 153 HD2 TYR 19 2HD TYR 19 3.466 -5.346 -2.577 154 HE1 TYR 19 1HE TYR 19 0.146 -2.234 -4.435 155 HE2 TYR 19 2HE TYR 19 2.024 -6.061 -4.435 156 HH TYR 19 HH TYR 19 0.685 -4.562 -6.407 157 HA PRO 20 HA PRO 20 8.368 -2.795 0.861 158 1HB PRO 20 2HB PRO 20 9.398 -1.566 -1.634 159 2HB PRO 20 1HB PRO 20 10.204 -2.653 -0.498 160 1HG PRO 20 2HG PRO 20 9.396 -3.524 -2.886 161 2HG PRO 20 1HG PRO 20 9.269 -4.549 -1.445 162 1HD PRO 20 2HD PRO 20 7.138 -3.001 -2.865 163 2HD PRO 20 1HD PRO 20 7.060 -4.619 -2.136 164 H PHE 21 H PHE 21 7.127 -0.675 -1.701 165 HA PHE 21 HA PHE 21 7.715 1.713 -0.221 166 1HB PHE 21 2HB PHE 21 6.378 2.781 -2.141 167 2HB PHE 21 1HB PHE 21 7.899 1.992 -2.534 168 HD1 PHE 21 1HD PHE 21 7.860 0.894 -4.529 169 HD2 PHE 21 2HD PHE 21 4.340 0.881 -2.136 170 HE1 PHE 21 1HE PHE 21 6.719 -0.481 -6.218 171 HE2 PHE 21 2HE PHE 21 3.195 -0.496 -3.821 172 HZ PHE 21 HZ PHE 21 4.385 -1.179 -5.866 173 H CYS 22 H CYS 22 5.376 -0.531 0.227 174 HA CYS 22 HA CYS 22 3.676 1.400 1.593 175 1HB CYS 22 2HB CYS 22 2.670 -0.489 -0.542 176 2HB CYS 22 1HB CYS 22 1.616 0.193 0.689 177 H HIS 23 H HIS 23 5.277 -0.020 3.012 178 HA HIS 23 HA HIS 23 4.394 -2.658 3.630 179 1HB HIS 23 2HB HIS 23 6.404 -0.803 4.835 180 2HB HIS 23 1HB HIS 23 5.886 -2.224 5.738 181 HD1 HIS 23 1HD HIS 23 5.723 -4.270 3.453 182 HD2 HIS 23 2HD HIS 23 8.860 -1.588 3.953 183 HE1 HIS 23 1HE HIS 23 7.703 -5.336 2.331 184 H CYS 24 H CYS 24 2.193 -1.485 3.700 185 HA CYS 24 HA CYS 24 1.391 -0.394 6.230 186 1HB CYS 24 2HB CYS 24 0.420 0.120 3.937 187 2HB CYS 24 1HB CYS 24 -0.359 -1.453 4.017 188 H ARG 25 H ARG 25 -0.753 -1.441 7.104 189 HA ARG 25 HA ARG 25 -0.022 -3.907 8.288 190 1HB ARG 25 2HB ARG 25 -2.384 -3.875 9.176 191 2HB ARG 25 1HB ARG 25 -1.421 -2.453 9.549 192 1HG ARG 25 2HG ARG 25 -2.552 -1.152 7.922 193 2HG ARG 25 1HG ARG 25 -3.336 -2.575 7.237 194 1HD ARG 25 2HD ARG 25 -4.560 -2.890 9.348 195 2HD ARG 25 1HD ARG 25 -3.798 -1.438 9.994 196 HE ARG 25 HE ARG 25 -5.408 -0.244 8.936 197 1HH1 ARG 25 1HH1 ARG 25 -4.992 -3.237 7.157 198 2HH1 ARG 25 2HH1 ARG 25 -6.204 -2.861 5.979 199 1HH2 ARG 25 1HH2 ARG 25 -7.023 0.253 7.391 200 2HH2 ARG 25 2HH2 ARG 25 -7.373 -0.875 6.124 201 1HN NH2 26 1H ARG 25 0.081 -5.766 6.998 202 2HN NH2 26 2H ARG 25 -1.462 -6.477 6.686 Start of MODEL 20 1 1H PHE 1 1HT PHE 1 6.638 13.934 4.008 2 2H PHE 1 2HT PHE 1 7.698 12.617 3.976 3 3H PHE 1 3HT PHE 1 6.027 12.357 4.052 4 HA PHE 1 HA PHE 1 6.714 13.966 1.823 5 1HB PHE 1 2HB PHE 1 7.784 12.008 0.577 6 2HB PHE 1 1HB PHE 1 8.801 12.850 1.735 7 HD1 PHE 1 1HD PHE 1 6.494 9.904 1.602 8 HD2 PHE 1 2HD PHE 1 10.082 11.593 3.148 9 HE1 PHE 1 1HE PHE 1 7.022 7.768 2.701 10 HE2 PHE 1 2HE PHE 1 10.616 9.460 4.249 11 HZ PHE 1 HZ PHE 1 9.085 7.544 4.027 12 HA PRO 2 HA PRO 2 2.815 12.338 0.598 13 1HB PRO 2 2HB PRO 2 3.176 12.078 -2.123 14 2HB PRO 2 1HB PRO 2 2.798 13.595 -1.302 15 1HG PRO 2 2HG PRO 2 5.442 12.543 -2.222 16 2HG PRO 2 1HG PRO 2 4.796 14.193 -2.319 17 1HD PRO 2 2HD PRO 2 6.581 13.506 -0.445 18 2HD PRO 2 1HD PRO 2 5.262 14.639 -0.089 19 H ARG 3 H ARG 3 1.740 10.446 -0.046 20 HA ARG 3 HA ARG 3 3.465 8.122 -0.562 21 1HB ARG 3 2HB ARG 3 2.062 8.565 1.760 22 2HB ARG 3 1HB ARG 3 0.930 7.593 0.832 23 1HG ARG 3 2HG ARG 3 2.145 6.054 2.096 24 2HG ARG 3 1HG ARG 3 2.862 5.968 0.486 25 1HD ARG 3 2HD ARG 3 3.962 7.623 2.755 26 2HD ARG 3 1HD ARG 3 4.524 6.004 2.343 27 HE ARG 3 HE ARG 3 5.104 8.467 0.959 28 1HH1 ARG 3 1HH1 ARG 3 5.027 4.973 0.717 29 2HH1 ARG 3 2HH1 ARG 3 6.116 4.916 -0.624 30 1HH2 ARG 3 1HH2 ARG 3 6.515 8.401 -0.823 31 2HH2 ARG 3 2HH2 ARG 3 6.974 6.875 -1.504 32 HA PRO 4 HA PRO 4 0.937 7.664 -4.181 33 1HB PRO 4 2HB PRO 4 1.699 4.818 -4.055 34 2HB PRO 4 1HB PRO 4 2.000 6.006 -5.326 35 1HG PRO 4 2HG PRO 4 3.966 5.111 -3.729 36 2HG PRO 4 1HG PRO 4 3.930 6.778 -4.333 37 1HD PRO 4 2HD PRO 4 3.209 5.726 -1.629 38 2HD PRO 4 1HD PRO 4 4.041 7.228 -2.072 39 H ARG 5 H ARG 5 -1.092 6.938 -4.694 40 HA ARG 5 HA ARG 5 -2.806 6.121 -2.628 41 1HB ARG 5 2HB ARG 5 -4.538 5.879 -4.341 42 2HB ARG 5 1HB ARG 5 -3.644 7.377 -4.537 43 1HG ARG 5 2HG ARG 5 -2.786 5.003 -6.108 44 2HG ARG 5 1HG ARG 5 -4.253 5.855 -6.590 45 1HD ARG 5 2HD ARG 5 -1.501 7.054 -6.279 46 2HD ARG 5 1HD ARG 5 -2.330 6.719 -7.799 47 HE ARG 5 HE ARG 5 -3.919 8.407 -6.191 48 1HH1 ARG 5 1HH1 ARG 5 -1.028 8.458 -8.165 49 2HH1 ARG 5 2HH1 ARG 5 -1.141 10.149 -8.519 50 1HH2 ARG 5 1HH2 ARG 5 -4.077 10.644 -6.657 51 2HH2 ARG 5 2HH2 ARG 5 -2.881 11.396 -7.659 52 H ILE 6 H ILE 6 -0.626 4.287 -4.369 53 HA ILE 6 HA ILE 6 -1.999 1.844 -4.679 54 HB ILE 6 HB ILE 6 0.948 2.219 -4.138 55 1HG1 ILE 6 2HG1 ILE 6 -0.495 2.184 -6.800 56 2HG1 ILE 6 1HG1 ILE 6 0.153 3.625 -6.025 57 1HG2 ILE 6 1HG2 ILE 6 -0.323 0.042 -5.768 58 2HG2 ILE 6 2HG2 ILE 6 -0.117 -0.105 -4.022 59 3HG2 ILE 6 3HG2 ILE 6 1.293 0.094 -5.064 60 1HD1 ILE 6 1HD1 ILE 6 1.990 3.252 -7.213 61 2HD1 ILE 6 2HD1 ILE 6 1.485 1.614 -7.630 62 3HD1 ILE 6 3HD1 ILE 6 2.314 1.919 -6.103 63 H CYS 7 H CYS 7 -0.289 3.340 -2.030 64 HA CYS 7 HA CYS 7 -0.120 1.158 -0.278 65 1HB CYS 7 2HB CYS 7 -0.415 4.115 0.276 66 2HB CYS 7 1HB CYS 7 -0.046 2.918 1.504 67 H ASN 8 H ASN 8 -2.723 3.256 -1.158 68 HA ASN 8 HA ASN 8 -4.463 2.795 1.014 69 1HB ASN 8 2HB ASN 8 -5.113 3.460 -1.865 70 2HB ASN 8 1HB ASN 8 -6.278 3.492 -0.549 71 1HD2 ASN 8 1HD2 ASN 8 -3.682 4.484 1.005 72 2HD2 ASN 8 2HD2 ASN 8 -3.750 6.186 0.717 73 H LEU 9 H LEU 9 -4.284 1.223 -2.178 74 HA LEU 9 HA LEU 9 -6.258 -0.718 -1.504 75 1HB LEU 9 2HB LEU 9 -5.614 -1.822 -3.609 76 2HB LEU 9 1HB LEU 9 -5.973 -0.122 -3.813 77 HG LEU 9 HG LEU 9 -3.318 0.064 -3.557 78 1HD1 LEU 9 1HD1 LEU 9 -3.583 -2.541 -5.019 79 2HD1 LEU 9 2HD1 LEU 9 -3.242 -2.478 -3.291 80 3HD1 LEU 9 3HD1 LEU 9 -2.124 -1.740 -4.438 81 1HD2 LEU 9 1HD2 LEU 9 -3.339 -0.320 -6.156 82 2HD2 LEU 9 2HD2 LEU 9 -4.192 1.044 -5.431 83 3HD2 LEU 9 3HD2 LEU 9 -5.083 -0.402 -5.907 84 H ALA 10 H ALA 10 -2.813 -0.511 -1.247 85 HA ALA 10 HA ALA 10 -2.173 -3.211 -0.888 86 1HB ALA 10 1HB ALA 10 -0.894 -0.640 -0.093 87 2HB ALA 10 2HB ALA 10 -0.296 -1.918 -1.152 88 3HB ALA 10 3HB ALA 10 -0.283 -2.144 0.598 89 H CYS 11 H CYS 11 -3.053 -0.717 1.496 90 HA CYS 11 HA CYS 11 -2.882 -2.402 3.762 91 1HB CYS 11 2HB CYS 11 -4.654 0.026 3.382 92 2HB CYS 11 1HB CYS 11 -4.230 -0.707 4.919 93 H ARG 12 H ARG 12 -5.513 -1.652 1.536 94 HA ARG 12 HA ARG 12 -7.609 -2.845 2.958 95 1HB ARG 12 2HB ARG 12 -7.255 -2.435 -0.010 96 2HB ARG 12 1HB ARG 12 -8.754 -2.976 0.732 97 1HG ARG 12 2HG ARG 12 -7.376 -0.353 1.266 98 2HG ARG 12 1HG ARG 12 -8.796 -0.590 0.245 99 1HD ARG 12 2HD ARG 12 -10.058 -1.386 2.175 100 2HD ARG 12 1HD ARG 12 -8.636 -1.187 3.198 101 HE ARG 12 HE ARG 12 -9.184 1.262 1.960 102 1HH1 ARG 12 1HH1 ARG 12 -10.594 -0.884 4.333 103 2HH1 ARG 12 2HH1 ARG 12 -11.387 0.384 5.205 104 1HH2 ARG 12 1HH2 ARG 12 -10.225 2.952 3.109 105 2HH2 ARG 12 2HH2 ARG 12 -11.176 2.575 4.507 106 H ALA 13 H ALA 13 -5.555 -4.201 0.396 107 HA ALA 13 HA ALA 13 -6.772 -6.807 0.726 108 1HB ALA 13 1HB ALA 13 -4.323 -6.499 -0.908 109 2HB ALA 13 2HB ALA 13 -5.763 -5.629 -1.438 110 3HB ALA 13 3HB ALA 13 -5.811 -7.380 -1.250 111 H GLY 14 H GLY 14 -4.675 -5.187 2.519 112 1HA GLY 14 2HA GLY 14 -3.173 -5.765 4.155 113 2HA GLY 14 1HA GLY 14 -3.734 -7.407 3.956 114 H ILE 15 H ILE 15 -2.520 -5.864 1.194 115 HA ILE 15 HA ILE 15 -0.236 -7.665 1.197 116 HB ILE 15 HB ILE 15 0.117 -6.842 -1.150 117 1HG1 ILE 15 2HG1 ILE 15 -2.540 -5.477 -0.658 118 2HG1 ILE 15 1HG1 ILE 15 -1.000 -4.667 -0.921 119 1HG2 ILE 15 1HG2 ILE 15 -2.053 -7.950 -1.996 120 2HG2 ILE 15 2HG2 ILE 15 -2.400 -8.211 -0.286 121 3HG2 ILE 15 3HG2 ILE 15 -0.944 -8.900 -1.007 122 1HD1 ILE 15 1HD1 ILE 15 -0.950 -5.236 -3.171 123 2HD1 ILE 15 2HD1 ILE 15 -2.643 -4.841 -2.874 124 3HD1 ILE 15 3HD1 ILE 15 -2.136 -6.526 -2.970 125 H GLY 16 H GLY 16 -0.572 -5.206 2.847 126 1HA GLY 16 2HA GLY 16 1.203 -3.196 1.981 127 2HA GLY 16 1HA GLY 16 0.773 -3.526 3.655 128 H HIS 17 H HIS 17 1.760 -6.146 3.846 129 HA HIS 17 HA HIS 17 4.512 -5.592 4.319 130 1HB HIS 17 2HB HIS 17 3.147 -7.134 5.729 131 2HB HIS 17 1HB HIS 17 3.114 -8.275 4.389 132 HD1 HIS 17 1HD HIS 17 5.885 -6.412 6.248 133 HD2 HIS 17 2HD HIS 17 4.974 -10.189 4.769 134 HE1 HIS 17 1HE HIS 17 7.851 -7.860 6.844 135 H LYS 18 H LYS 18 2.783 -6.712 1.626 136 HA LYS 18 HA LYS 18 4.990 -8.143 0.430 137 1HB LYS 18 2HB LYS 18 2.739 -8.919 -0.033 138 2HB LYS 18 1HB LYS 18 2.285 -7.339 -0.654 139 1HG LYS 18 2HG LYS 18 3.860 -7.617 -2.508 140 2HG LYS 18 1HG LYS 18 4.305 -9.206 -1.884 141 1HD LYS 18 2HD LYS 18 1.503 -8.432 -2.689 142 2HD LYS 18 1HD LYS 18 2.646 -9.248 -3.757 143 1HE LYS 18 2HE LYS 18 1.695 -10.304 -1.096 144 2HE LYS 18 1HE LYS 18 1.069 -10.804 -2.666 145 1HZ LYS 18 1HZ LYS 18 3.091 -11.804 -3.228 146 2HZ LYS 18 2HZ LYS 18 2.839 -12.258 -1.618 147 3HZ LYS 18 3HZ LYS 18 3.940 -11.028 -1.988 148 H TYR 19 H TYR 19 3.418 -5.008 0.149 149 HA TYR 19 HA TYR 19 5.204 -4.213 -2.017 150 1HB TYR 19 2HB TYR 19 2.884 -2.849 -0.652 151 2HB TYR 19 1HB TYR 19 3.902 -2.025 -1.826 152 HD1 TYR 19 1HD TYR 19 2.769 -5.565 -1.985 153 HD2 TYR 19 2HD TYR 19 2.357 -1.635 -3.554 154 HE1 TYR 19 1HE TYR 19 1.383 -6.446 -3.810 155 HE2 TYR 19 2HE TYR 19 0.968 -2.506 -5.385 156 HH TYR 19 HH TYR 19 0.462 -4.499 -6.524 157 HA PRO 20 HA PRO 20 8.186 -2.856 1.099 158 1HB PRO 20 2HB PRO 20 9.436 -1.750 -1.362 159 2HB PRO 20 1HB PRO 20 10.145 -2.750 -0.089 160 1HG PRO 20 2HG PRO 20 9.553 -3.796 -2.464 161 2HG PRO 20 1HG PRO 20 9.283 -4.715 -0.972 162 1HD PRO 20 2HD PRO 20 7.310 -3.291 -2.708 163 2HD PRO 20 1HD PRO 20 7.146 -4.834 -1.846 164 H PHE 21 H PHE 21 7.237 -0.766 -1.624 165 HA PHE 21 HA PHE 21 7.826 1.640 -0.212 166 1HB PHE 21 2HB PHE 21 6.582 2.717 -2.161 167 2HB PHE 21 1HB PHE 21 8.031 1.800 -2.546 168 HD1 PHE 21 1HD PHE 21 4.327 1.388 -2.338 169 HD2 PHE 21 2HD PHE 21 7.958 0.259 -4.247 170 HE1 PHE 21 1HE PHE 21 3.053 0.058 -3.967 171 HE2 PHE 21 2HE PHE 21 6.690 -1.074 -5.880 172 HZ PHE 21 HZ PHE 21 4.234 -1.173 -5.742 173 H CYS 22 H CYS 22 5.292 -0.506 0.042 174 HA CYS 22 HA CYS 22 3.684 1.498 1.455 175 1HB CYS 22 2HB CYS 22 2.649 -0.486 -0.581 176 2HB CYS 22 1HB CYS 22 1.610 0.306 0.596 177 H HIS 23 H HIS 23 5.360 0.074 2.790 178 HA HIS 23 HA HIS 23 4.651 -2.534 3.551 179 1HB HIS 23 2HB HIS 23 6.209 -2.156 5.481 180 2HB HIS 23 1HB HIS 23 6.902 -1.843 3.896 181 HD1 HIS 23 1HD HIS 23 5.240 0.211 6.649 182 HD2 HIS 23 2HD HIS 23 8.296 0.464 3.841 183 HE1 HIS 23 1HE HIS 23 6.332 2.446 7.037 184 H CYS 24 H CYS 24 2.344 -1.577 3.640 185 HA CYS 24 HA CYS 24 1.476 -0.595 6.218 186 1HB CYS 24 2HB CYS 24 0.462 -0.070 3.926 187 2HB CYS 24 1HB CYS 24 -0.225 -1.688 3.984 188 H ARG 25 H ARG 25 -0.741 -1.917 6.780 189 HA ARG 25 HA ARG 25 0.178 -4.301 8.025 190 1HB ARG 25 2HB ARG 25 -2.150 -4.569 8.779 191 2HB ARG 25 1HB ARG 25 -1.560 -2.937 9.057 192 1HG ARG 25 2HG ARG 25 -2.769 -2.146 7.100 193 2HG ARG 25 1HG ARG 25 -3.330 -3.787 6.771 194 1HD ARG 25 2HD ARG 25 -5.061 -2.498 7.890 195 2HD ARG 25 1HD ARG 25 -4.503 -3.812 8.922 196 HE ARG 25 HE ARG 25 -3.045 -1.482 9.519 197 1HH1 ARG 25 1HH1 ARG 25 -6.265 -2.802 9.858 198 2HH1 ARG 25 2HH1 ARG 25 -6.640 -1.883 11.277 199 1HH2 ARG 25 1HH2 ARG 25 -3.529 -0.259 11.403 200 2HH2 ARG 25 2HH2 ARG 25 -5.076 -0.431 12.160 201 1HN NH2 26 1H ARG 25 -0.530 -6.452 7.659 202 2HN NH2 26 2H ARG 25 -1.221 -6.967 6.160
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