NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14420 | 1wo7 | 6325 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H PHE 1 1HT PHE 1 -2.332 2.161 5.127 2 2H PHE 1 2HT PHE 1 -3.024 1.865 3.585 3 3H PHE 1 3HT PHE 1 -1.376 1.483 3.877 4 HA PHE 1 HA PHE 1 -1.888 -0.269 5.245 5 1HB PHE 1 2HB PHE 1 -4.455 1.203 5.462 6 2HB PHE 1 1HB PHE 1 -4.555 -0.552 5.561 7 HD1 PHE 1 1HD PHE 1 -4.054 -1.659 7.546 8 HD2 PHE 1 2HD PHE 1 -2.857 2.394 7.043 9 HE1 PHE 1 1HE PHE 1 -3.392 -1.565 9.914 10 HE2 PHE 1 2HE PHE 1 -2.192 2.495 9.410 11 HZ PHE 1 HZ PHE 1 -2.459 0.514 10.849 12 H VAL 2 H VAL 2 -1.754 -2.068 4.080 13 HA VAL 2 HA VAL 2 -2.503 -2.250 1.393 14 HB VAL 2 HB VAL 2 -0.759 -3.663 2.394 15 1HG1 VAL 2 1HG1 VAL 2 -1.382 -5.639 3.714 16 2HG1 VAL 2 2HG1 VAL 2 -3.057 -5.086 3.733 17 3HG1 VAL 2 3HG1 VAL 2 -1.805 -4.135 4.533 18 1HG2 VAL 2 1HG2 VAL 2 -1.040 -5.287 0.858 19 2HG2 VAL 2 2HG2 VAL 2 -2.443 -4.327 0.388 20 3HG2 VAL 2 3HG2 VAL 2 -2.643 -5.719 1.453 21 H SER 3 H SER 3 -4.234 -3.050 4.321 22 HA SER 3 HA SER 3 -6.251 -4.653 3.155 23 1HB SER 3 2HB SER 3 -6.312 -2.969 5.671 24 2HB SER 3 1HB SER 3 -7.520 -4.177 5.234 25 HG SER 3 HG SER 3 -6.248 -5.594 6.092 26 H THR 4 H THR 4 -5.810 -1.203 3.453 27 HA THR 4 HA THR 4 -8.457 -0.767 2.242 28 HB THR 4 HB THR 4 -8.173 1.599 3.015 29 HG1 THR 4 1HG THR 4 -6.528 2.030 4.482 30 1HG2 THR 4 1HG2 THR 4 -9.291 -0.265 4.397 31 2HG2 THR 4 2HG2 THR 4 -8.871 1.255 5.186 32 3HG2 THR 4 3HG2 THR 4 -7.845 -0.164 5.400 33 H CYS 5 H CYS 5 -5.979 -1.572 0.842 34 HA CYS 5 HA CYS 5 -4.870 0.631 -0.530 35 1HB CYS 5 2HB CYS 5 -3.754 -1.542 -0.457 36 2HB CYS 5 1HB CYS 5 -5.072 -2.268 -1.369 37 H TYR 6 H TYR 6 -5.165 1.221 -2.769 38 HA TYR 6 HA TYR 6 -7.984 1.192 -3.505 39 1HB TYR 6 2HB TYR 6 -7.354 2.943 -5.125 40 2HB TYR 6 1HB TYR 6 -6.857 3.352 -3.487 41 HD1 TYR 6 1HD TYR 6 -4.489 3.348 -2.869 42 HD2 TYR 6 2HD TYR 6 -5.725 2.500 -6.851 43 HE1 TYR 6 1HE TYR 6 -2.185 3.700 -3.653 44 HE2 TYR 6 2HE TYR 6 -3.424 2.848 -7.645 45 HH TYR 6 HH TYR 6 -0.761 3.109 -5.511 46 H LEU 7 H LEU 7 -4.832 0.393 -4.933 47 HA LEU 7 HA LEU 7 -6.146 -0.834 -7.225 48 1HB LEU 7 2HB LEU 7 -3.903 -1.118 -8.126 49 2HB LEU 7 1HB LEU 7 -4.173 0.540 -7.626 50 HG LEU 7 HG LEU 7 -3.000 -0.237 -5.412 51 1HD1 LEU 7 1HD1 LEU 7 -1.105 -1.869 -6.406 52 2HD1 LEU 7 2HD1 LEU 7 -2.516 -2.459 -7.284 53 3HD1 LEU 7 3HD1 LEU 7 -2.522 -2.436 -5.520 54 1HD2 LEU 7 1HD2 LEU 7 -1.280 1.001 -6.136 55 2HD2 LEU 7 2HD2 LEU 7 -2.226 1.186 -7.613 56 3HD2 LEU 7 3HD2 LEU 7 -0.976 -0.054 -7.515 57 HA PRO 8 HA PRO 8 -5.916 -4.915 -5.531 58 1HB PRO 8 2HB PRO 8 -6.141 -6.381 -7.778 59 2HB PRO 8 1HB PRO 8 -7.491 -5.434 -7.139 60 1HG PRO 8 2HG PRO 8 -5.602 -4.776 -9.367 61 2HG PRO 8 1HG PRO 8 -7.360 -4.557 -9.289 62 1HD PRO 8 2HD PRO 8 -5.569 -2.542 -8.852 63 2HD PRO 8 1HD PRO 8 -7.185 -2.592 -8.118 64 H LYS 9 H LYS 9 -4.777 -7.107 -6.116 65 HA LYS 9 HA LYS 9 -2.828 -8.277 -6.198 66 1HB LYS 9 2HB LYS 9 -1.897 -6.183 -8.164 67 2HB LYS 9 1HB LYS 9 -1.317 -7.836 -8.011 68 1HG LYS 9 2HG LYS 9 -4.199 -7.509 -8.550 69 2HG LYS 9 1HG LYS 9 -3.095 -7.056 -9.851 70 1HD LYS 9 2HD LYS 9 -2.018 -9.415 -9.075 71 2HD LYS 9 1HD LYS 9 -3.724 -9.707 -8.731 72 1HE LYS 9 2HE LYS 9 -3.969 -8.619 -11.155 73 2HE LYS 9 1HE LYS 9 -2.346 -9.289 -11.321 74 1HZ LYS 9 1HZ LYS 9 -3.506 -11.106 -11.927 75 2HZ LYS 9 2HZ LYS 9 -4.903 -10.654 -11.086 76 3HZ LYS 9 3HZ LYS 9 -3.610 -11.362 -10.257 77 H CYS 10 H CYS 10 -3.094 -6.329 -4.161 78 HA CYS 10 HA CYS 10 -0.285 -5.505 -3.807 79 1HB CYS 10 2HB CYS 10 -2.393 -3.803 -3.899 80 2HB CYS 10 1HB CYS 10 -2.348 -4.153 -2.175 81 H ALA 11 H ALA 11 -3.192 -6.729 -2.210 82 HA ALA 11 HA ALA 11 -1.712 -7.336 0.216 83 1HB ALA 11 1HB ALA 11 -4.573 -8.040 -0.395 84 2HB ALA 11 2HB ALA 11 -4.074 -6.466 0.222 85 3HB ALA 11 3HB ALA 11 -3.800 -7.918 1.184 86 H ALA 12 H ALA 12 -0.331 -9.004 -0.088 87 HA ALA 12 HA ALA 12 -1.408 -11.476 -1.271 88 1HB ALA 12 1HB ALA 12 0.581 -10.399 -2.372 89 2HB ALA 12 2HB ALA 12 0.799 -12.084 -1.898 90 3HB ALA 12 3HB ALA 12 1.503 -10.796 -0.922 91 H ALA 13 H ALA 13 0.174 -10.083 1.516 92 HA ALA 13 HA ALA 13 -0.473 -12.470 3.053 93 1HB ALA 13 1HB ALA 13 2.299 -11.361 3.308 94 2HB ALA 13 2HB ALA 13 1.922 -12.611 2.122 95 3HB ALA 13 3HB ALA 13 1.671 -12.921 3.840 96 H ALA 14 H ALA 14 -1.449 -9.722 2.940 97 HA ALA 14 HA ALA 14 -2.109 -8.061 4.349 98 1HB ALA 14 1HB ALA 14 -2.171 -8.590 6.766 99 2HB ALA 14 2HB ALA 14 -1.251 -10.059 6.438 100 3HB ALA 14 3HB ALA 14 -2.868 -9.861 5.761 101 H ASN 15 H ASN 15 0.634 -8.092 3.345 102 HA ASN 15 HA ASN 15 2.223 -6.968 5.504 103 1HB ASN 15 2HB ASN 15 2.746 -7.839 2.703 104 2HB ASN 15 1HB ASN 15 3.807 -6.611 3.388 105 1HD2 ASN 15 1HD2 ASN 15 5.603 -7.488 4.088 106 2HD2 ASN 15 2HD2 ASN 15 5.750 -8.990 4.929 107 H VAL 16 H VAL 16 2.065 -4.899 6.027 108 HA VAL 16 HA VAL 16 0.703 -2.994 4.411 109 HB VAL 16 HB VAL 16 0.707 -2.850 6.864 110 1HG1 VAL 16 1HG1 VAL 16 3.510 -1.807 6.795 111 2HG1 VAL 16 2HG1 VAL 16 3.204 -3.538 6.949 112 3HG1 VAL 16 3HG1 VAL 16 2.576 -2.420 8.160 113 1HG2 VAL 16 1HG2 VAL 16 0.476 -0.607 6.846 114 2HG2 VAL 16 2HG2 VAL 16 0.744 -0.795 5.113 115 3HG2 VAL 16 3HG2 VAL 16 2.082 -0.340 6.168 116 H ALA 17 H ALA 17 4.117 -3.565 5.169 117 HA ALA 17 HA ALA 17 5.198 -1.322 3.904 118 1HB ALA 17 1HB ALA 17 6.241 -4.007 4.650 119 2HB ALA 17 2HB ALA 17 6.760 -2.405 5.175 120 3HB ALA 17 3HB ALA 17 7.208 -2.997 3.575 121 H ALA 18 H ALA 18 4.593 -4.581 2.617 122 HA ALA 18 HA ALA 18 5.587 -4.170 0.041 123 1HB ALA 18 1HB ALA 18 3.769 -5.984 -0.514 124 2HB ALA 18 2HB ALA 18 3.625 -6.063 1.242 125 3HB ALA 18 3HB ALA 18 5.178 -6.383 0.469 126 H HIS 19 H HIS 19 2.743 -2.946 1.530 127 HA HIS 19 HA HIS 19 1.391 -2.416 -0.982 128 1HB HIS 19 2HB HIS 19 -0.192 -2.912 0.625 129 2HB HIS 19 1HB HIS 19 0.717 -2.136 1.914 130 HD2 HIS 19 2HD HIS 19 -0.519 0.060 2.763 131 HE1 HIS 19 1HE HIS 19 -2.374 1.126 -0.889 132 HE2 HIS 19 2HE HIS 19 -2.210 1.639 1.590 133 H ILE 20 H ILE 20 2.310 -0.349 1.780 134 HA ILE 20 HA ILE 20 2.133 2.067 0.379 135 HB ILE 20 HB ILE 20 2.134 1.928 2.830 136 1HG1 ILE 20 2HG1 ILE 20 4.496 3.623 2.072 137 2HG1 ILE 20 1HG1 ILE 20 2.896 3.993 1.438 138 1HG2 ILE 20 1HG2 ILE 20 4.252 0.283 2.601 139 2HG2 ILE 20 2HG2 ILE 20 3.828 1.133 4.087 140 3HG2 ILE 20 3HG2 ILE 20 5.070 1.788 3.019 141 1HD1 ILE 20 1HD1 ILE 20 2.655 3.600 4.232 142 2HD1 ILE 20 2HD1 ILE 20 2.420 5.079 3.300 143 3HD1 ILE 20 3HD1 ILE 20 4.015 4.685 3.942 144 H THR 21 H THR 21 4.609 -0.332 0.348 145 HA THR 21 HA THR 21 6.920 1.068 -0.131 146 HB THR 21 HB THR 21 6.915 -1.347 0.013 147 HG1 THR 21 1HG THR 21 8.626 -1.323 -1.167 148 1HG2 THR 21 1HG2 THR 21 5.897 -2.810 -1.393 149 2HG2 THR 21 2HG2 THR 21 5.921 -1.692 -2.757 150 3HG2 THR 21 3HG2 THR 21 4.742 -1.480 -1.463 151 H HIS 22 H HIS 22 4.435 0.189 -2.516 152 HA HIS 22 HA HIS 22 5.684 2.071 -4.402 153 1HB HIS 22 2HB HIS 22 4.526 0.855 -6.181 154 2HB HIS 22 1HB HIS 22 5.517 -0.242 -5.224 155 HD1 HIS 22 1HD HIS 22 4.349 -2.166 -4.091 156 HD2 HIS 22 2HD HIS 22 1.703 0.595 -5.714 157 HE1 HIS 22 1HE HIS 22 2.078 -3.233 -3.923 158 HE2 HIS 22 2HE HIS 22 0.507 -1.584 -4.999 159 H CYS 23 H CYS 23 2.769 1.273 -2.676 160 HA CYS 23 HA CYS 23 1.110 3.136 -4.110 161 1HB CYS 23 2HB CYS 23 0.725 1.466 -1.636 162 2HB CYS 23 1HB CYS 23 -0.468 2.659 -2.131 163 H TYR 24 H TYR 24 1.000 5.251 -3.783 164 HA TYR 24 HA TYR 24 1.617 6.328 -1.128 165 1HB TYR 24 2HB TYR 24 2.941 7.071 -3.721 166 2HB TYR 24 1HB TYR 24 2.798 8.252 -2.422 167 HD1 TYR 24 1HD TYR 24 3.396 6.947 -0.007 168 HD2 TYR 24 2HD TYR 24 5.059 6.185 -3.848 169 HE1 TYR 24 1HE TYR 24 5.415 6.028 1.056 170 HE2 TYR 24 2HE TYR 24 7.081 5.262 -2.797 171 HH TYR 24 HH TYR 24 8.240 5.665 -0.370 172 H LYS 25 H LYS 25 1.235 8.902 -1.358 173 HA LYS 25 HA LYS 25 -1.559 9.163 -1.822 174 1HB LYS 25 2HB LYS 25 -1.263 11.486 -1.156 175 2HB LYS 25 1HB LYS 25 -0.383 10.424 -0.066 176 1HG LYS 25 2HG LYS 25 1.588 10.953 -1.765 177 2HG LYS 25 1HG LYS 25 0.629 12.414 -2.008 178 1HD LYS 25 2HD LYS 25 1.923 13.109 -0.263 179 2HD LYS 25 1HD LYS 25 0.594 12.382 0.642 180 1HE LYS 25 2HE LYS 25 2.427 11.449 1.681 181 2HE LYS 25 1HE LYS 25 2.036 10.218 0.481 182 1HZ LYS 25 1HZ LYS 25 3.981 12.351 -0.129 183 2HZ LYS 25 2HZ LYS 25 3.822 10.824 -0.839 184 3HZ LYS 25 3HZ LYS 25 4.459 10.968 0.721 Start of MODEL 2 1 1H PHE 1 1HT PHE 1 -2.691 2.791 4.883 2 2H PHE 1 2HT PHE 1 -3.625 2.316 3.524 3 3H PHE 1 3HT PHE 1 -1.914 2.189 3.479 4 HA PHE 1 HA PHE 1 -1.884 0.479 5.012 5 1HB PHE 1 2HB PHE 1 -4.621 1.502 5.567 6 2HB PHE 1 1HB PHE 1 -4.354 -0.224 5.788 7 HD1 PHE 1 1HD PHE 1 -3.250 3.130 6.861 8 HD2 PHE 1 2HD PHE 1 -3.175 -1.050 7.653 9 HE1 PHE 1 1HE PHE 1 -2.270 3.572 9.074 10 HE2 PHE 1 2HE PHE 1 -2.195 -0.616 9.868 11 HZ PHE 1 HZ PHE 1 -1.742 1.697 10.582 12 H VAL 2 H VAL 2 -1.925 -1.567 4.218 13 HA VAL 2 HA VAL 2 -2.683 -2.039 1.576 14 HB VAL 2 HB VAL 2 -0.987 -3.379 2.744 15 1HG1 VAL 2 1HG1 VAL 2 -3.179 -4.907 4.099 16 2HG1 VAL 2 2HG1 VAL 2 -2.433 -3.507 4.870 17 3HG1 VAL 2 3HG1 VAL 2 -1.449 -4.906 4.438 18 1HG2 VAL 2 1HG2 VAL 2 -2.166 -4.224 0.712 19 2HG2 VAL 2 2HG2 VAL 2 -3.242 -5.131 1.777 20 3HG2 VAL 2 3HG2 VAL 2 -1.516 -5.493 1.752 21 H SER 3 H SER 3 -4.357 -2.766 4.603 22 HA SER 3 HA SER 3 -6.448 -4.299 3.545 23 1HB SER 3 2HB SER 3 -6.156 -2.619 6.018 24 2HB SER 3 1HB SER 3 -7.706 -3.362 5.625 25 HG SER 3 HG SER 3 -6.044 -4.558 6.978 26 H THR 4 H THR 4 -5.917 -0.854 3.618 27 HA THR 4 HA THR 4 -8.583 -0.418 2.452 28 HB THR 4 HB THR 4 -7.881 2.069 2.975 29 HG1 THR 4 1HG THR 4 -5.853 1.809 3.730 30 1HG2 THR 4 1HG2 THR 4 -9.744 0.819 4.058 31 2HG2 THR 4 2HG2 THR 4 -8.940 1.995 5.097 32 3HG2 THR 4 3HG2 THR 4 -8.593 0.276 5.278 33 H CYS 5 H CYS 5 -6.141 -1.388 1.055 34 HA CYS 5 HA CYS 5 -5.042 0.686 -0.513 35 1HB CYS 5 2HB CYS 5 -3.960 -1.501 -0.289 36 2HB CYS 5 1HB CYS 5 -5.303 -2.264 -1.133 37 H TYR 6 H TYR 6 -5.428 1.201 -2.725 38 HA TYR 6 HA TYR 6 -8.252 0.900 -3.462 39 1HB TYR 6 2HB TYR 6 -7.794 2.815 -5.009 40 2HB TYR 6 1HB TYR 6 -7.556 3.196 -3.307 41 HD1 TYR 6 1HD TYR 6 -5.942 2.788 -6.551 42 HD2 TYR 6 2HD TYR 6 -5.299 3.539 -2.413 43 HE1 TYR 6 1HE TYR 6 -3.667 3.576 -7.054 44 HE2 TYR 6 2HE TYR 6 -3.024 4.329 -2.904 45 HH TYR 6 HH TYR 6 -1.296 3.867 -4.860 46 H LEU 7 H LEU 7 -5.008 0.785 -4.926 47 HA LEU 7 HA LEU 7 -6.024 -0.380 -7.357 48 1HB LEU 7 2HB LEU 7 -3.683 -0.479 -8.046 49 2HB LEU 7 1HB LEU 7 -4.107 1.111 -7.440 50 HG LEU 7 HG LEU 7 -3.116 0.196 -5.187 51 1HD1 LEU 7 1HD1 LEU 7 -1.026 -1.219 -6.103 52 2HD1 LEU 7 2HD1 LEU 7 -2.285 -1.798 -7.194 53 3HD1 LEU 7 3HD1 LEU 7 -2.489 -1.955 -5.449 54 1HD2 LEU 7 1HD2 LEU 7 -1.975 2.005 -5.932 55 2HD2 LEU 7 2HD2 LEU 7 -1.830 1.377 -7.574 56 3HD2 LEU 7 3HD2 LEU 7 -0.760 0.782 -6.305 57 HA PRO 8 HA PRO 8 -5.761 -4.617 -6.131 58 1HB PRO 8 2HB PRO 8 -5.499 -5.809 -8.542 59 2HB PRO 8 1HB PRO 8 -7.011 -5.062 -8.015 60 1HG PRO 8 2HG PRO 8 -4.890 -3.973 -9.826 61 2HG PRO 8 1HG PRO 8 -6.653 -3.906 -10.002 62 1HD PRO 8 2HD PRO 8 -5.180 -1.820 -9.071 63 2HD PRO 8 1HD PRO 8 -6.854 -2.122 -8.565 64 H LYS 9 H LYS 9 -4.376 -6.670 -7.131 65 HA LYS 9 HA LYS 9 -2.357 -7.716 -7.077 66 1HB LYS 9 2HB LYS 9 -1.482 -5.086 -8.279 67 2HB LYS 9 1HB LYS 9 -0.436 -6.492 -8.137 68 1HG LYS 9 2HG LYS 9 -1.604 -7.687 -9.732 69 2HG LYS 9 1HG LYS 9 -3.067 -6.723 -9.530 70 1HD LYS 9 2HD LYS 9 -2.312 -5.865 -11.509 71 2HD LYS 9 1HD LYS 9 -1.482 -4.787 -10.384 72 1HE LYS 9 2HE LYS 9 0.237 -5.395 -11.788 73 2HE LYS 9 1HE LYS 9 0.405 -6.581 -10.494 74 1HZ LYS 9 1HZ LYS 9 0.426 -8.002 -12.221 75 2HZ LYS 9 2HZ LYS 9 -0.404 -6.955 -13.259 76 3HZ LYS 9 3HZ LYS 9 -1.258 -7.866 -12.117 77 H CYS 10 H CYS 10 -3.264 -6.231 -4.745 78 HA CYS 10 HA CYS 10 -0.649 -5.774 -3.471 79 1HB CYS 10 2HB CYS 10 -2.706 -3.885 -3.807 80 2HB CYS 10 1HB CYS 10 -2.770 -4.360 -2.113 81 H ALA 11 H ALA 11 -0.638 -6.153 -1.127 82 HA ALA 11 HA ALA 11 -0.986 -7.481 0.688 83 1HB ALA 11 1HB ALA 11 -3.057 -7.384 1.558 84 2HB ALA 11 2HB ALA 11 -3.808 -8.058 0.111 85 3HB ALA 11 3HB ALA 11 -3.393 -6.345 0.173 86 H ALA 12 H ALA 12 0.292 -9.191 -0.029 87 HA ALA 12 HA ALA 12 -1.132 -11.420 -1.321 88 1HB ALA 12 1HB ALA 12 0.979 -10.362 -2.364 89 2HB ALA 12 2HB ALA 12 0.864 -12.120 -2.283 90 3HB ALA 12 3HB ALA 12 1.850 -11.245 -1.112 91 H ALA 13 H ALA 13 0.769 -10.471 1.452 92 HA ALA 13 HA ALA 13 0.051 -12.995 2.753 93 1HB ALA 13 1HB ALA 13 2.461 -12.805 3.805 94 2HB ALA 13 2HB ALA 13 2.809 -11.983 2.284 95 3HB ALA 13 3HB ALA 13 2.192 -13.635 2.272 96 H ALA 14 H ALA 14 -0.938 -10.252 2.955 97 HA ALA 14 HA ALA 14 -1.593 -8.763 4.546 98 1HB ALA 14 1HB ALA 14 -0.630 -10.663 6.655 99 2HB ALA 14 2HB ALA 14 -2.056 -11.023 5.683 100 3HB ALA 14 3HB ALA 14 -2.017 -9.574 6.688 101 H ASN 15 H ASN 15 0.200 -7.416 3.804 102 HA ASN 15 HA ASN 15 1.974 -6.773 6.021 103 1HB ASN 15 2HB ASN 15 3.077 -8.378 4.255 104 2HB ASN 15 1HB ASN 15 3.217 -6.905 3.299 105 1HD2 ASN 15 1HD2 ASN 15 5.425 -6.813 3.387 106 2HD2 ASN 15 2HD2 ASN 15 6.300 -6.463 4.835 107 H VAL 16 H VAL 16 1.967 -4.650 6.347 108 HA VAL 16 HA VAL 16 0.592 -2.883 4.598 109 HB VAL 16 HB VAL 16 0.646 -2.541 7.034 110 1HG1 VAL 16 1HG1 VAL 16 3.439 -1.490 6.812 111 2HG1 VAL 16 2HG1 VAL 16 3.151 -3.203 7.118 112 3HG1 VAL 16 3HG1 VAL 16 2.542 -1.993 8.245 113 1HG2 VAL 16 1HG2 VAL 16 0.026 -0.533 6.238 114 2HG2 VAL 16 2HG2 VAL 16 1.341 -0.480 5.064 115 3HG2 VAL 16 3HG2 VAL 16 1.638 -0.027 6.743 116 H ALA 17 H ALA 17 4.012 -3.441 5.311 117 HA ALA 17 HA ALA 17 5.092 -1.307 3.869 118 1HB ALA 17 1HB ALA 17 6.122 -3.968 4.736 119 2HB ALA 17 2HB ALA 17 6.652 -2.350 5.195 120 3HB ALA 17 3HB ALA 17 7.077 -3.001 3.612 121 H ALA 18 H ALA 18 4.371 -4.627 2.824 122 HA ALA 18 HA ALA 18 5.315 -4.431 0.206 123 1HB ALA 18 1HB ALA 18 3.680 -6.282 -0.272 124 2HB ALA 18 2HB ALA 18 3.111 -6.106 1.388 125 3HB ALA 18 3HB ALA 18 4.783 -6.575 1.073 126 H HIS 19 H HIS 19 2.550 -3.005 1.664 127 HA HIS 19 HA HIS 19 1.156 -2.601 -0.847 128 1HB HIS 19 2HB HIS 19 -0.397 -2.920 0.835 129 2HB HIS 19 1HB HIS 19 0.573 -2.080 2.036 130 HD2 HIS 19 2HD HIS 19 -0.565 0.217 2.741 131 HE1 HIS 19 1HE HIS 19 -2.486 1.064 -0.935 132 HE2 HIS 19 2HE HIS 19 -1.954 1.938 1.386 133 H ILE 20 H ILE 20 2.202 -0.368 1.734 134 HA ILE 20 HA ILE 20 2.084 1.942 0.163 135 HB ILE 20 HB ILE 20 2.144 1.981 2.619 136 1HG1 ILE 20 2HG1 ILE 20 4.562 3.549 1.919 137 2HG1 ILE 20 1HG1 ILE 20 3.131 3.841 0.936 138 1HG2 ILE 20 1HG2 ILE 20 4.194 0.245 2.460 139 2HG2 ILE 20 2HG2 ILE 20 3.841 1.217 3.889 140 3HG2 ILE 20 3HG2 ILE 20 5.076 1.745 2.747 141 1HD1 ILE 20 1HD1 ILE 20 2.689 3.816 3.841 142 2HD1 ILE 20 2HD1 ILE 20 2.047 4.890 2.598 143 3HD1 ILE 20 3HD1 ILE 20 3.679 5.138 3.220 144 H THR 21 H THR 21 4.491 -0.532 0.284 145 HA THR 21 HA THR 21 6.827 0.750 -0.366 146 HB THR 21 HB THR 21 6.745 -1.649 -0.025 147 HG1 THR 21 1HG THR 21 8.496 -1.086 -1.215 148 1HG2 THR 21 1HG2 THR 21 5.668 -3.186 -1.309 149 2HG2 THR 21 2HG2 THR 21 5.685 -2.164 -2.746 150 3HG2 THR 21 3HG2 THR 21 4.544 -1.833 -1.442 151 H HIS 22 H HIS 22 4.264 -0.247 -2.618 152 HA HIS 22 HA HIS 22 5.520 1.435 -4.681 153 1HB HIS 22 2HB HIS 22 4.266 0.119 -6.322 154 2HB HIS 22 1HB HIS 22 5.261 -0.924 -5.312 155 HD1 HIS 22 1HD HIS 22 4.066 -2.618 -3.824 156 HD2 HIS 22 2HD HIS 22 1.475 -0.127 -5.909 157 HE1 HIS 22 1HE HIS 22 1.782 -3.631 -3.536 158 HE2 HIS 22 2HE HIS 22 0.247 -2.161 -4.887 159 H CYS 23 H CYS 23 2.636 0.893 -2.813 160 HA CYS 23 HA CYS 23 1.005 2.694 -4.361 161 1HB CYS 23 2HB CYS 23 0.611 1.228 -1.761 162 2HB CYS 23 1HB CYS 23 -0.555 2.413 -2.334 163 H TYR 24 H TYR 24 0.559 4.800 -3.959 164 HA TYR 24 HA TYR 24 1.473 6.034 -1.485 165 1HB TYR 24 2HB TYR 24 2.691 6.497 -4.157 166 2HB TYR 24 1HB TYR 24 2.420 7.913 -3.147 167 HD1 TYR 24 1HD TYR 24 3.076 7.212 -0.504 168 HD2 TYR 24 2HD TYR 24 4.882 5.803 -4.088 169 HE1 TYR 24 1HE TYR 24 5.144 6.726 0.736 170 HE2 TYR 24 2HE TYR 24 6.954 5.312 -2.859 171 HH TYR 24 HH TYR 24 7.114 5.356 0.566 172 H LYS 25 H LYS 25 0.155 6.759 -4.718 173 HA LYS 25 HA LYS 25 -2.314 7.691 -3.750 174 1HB LYS 25 2HB LYS 25 -2.037 10.114 -4.264 175 2HB LYS 25 1HB LYS 25 -1.112 9.577 -2.868 176 1HG LYS 25 2HG LYS 25 0.806 9.293 -4.621 177 2HG LYS 25 1HG LYS 25 -0.164 10.432 -5.557 178 1HD LYS 25 2HD LYS 25 1.296 11.802 -4.356 179 2HD LYS 25 1HD LYS 25 -0.194 11.849 -3.412 180 1HE LYS 25 2HE LYS 25 0.758 10.014 -1.994 181 2HE LYS 25 1HE LYS 25 2.282 10.225 -2.856 182 1HZ LYS 25 1HZ LYS 25 1.026 12.576 -1.632 183 2HZ LYS 25 2HZ LYS 25 2.664 12.235 -1.875 184 3HZ LYS 25 3HZ LYS 25 1.820 11.472 -0.625 Start of MODEL 3 1 1H PHE 1 1HT PHE 1 -2.346 2.517 5.161 2 2H PHE 1 2HT PHE 1 -3.867 2.176 4.442 3 3H PHE 1 3HT PHE 1 -2.434 2.109 3.499 4 HA PHE 1 HA PHE 1 -1.645 0.330 4.977 5 1HB PHE 1 2HB PHE 1 -4.547 0.368 5.839 6 2HB PHE 1 1HB PHE 1 -3.323 -0.788 6.354 7 HD1 PHE 1 1HD PHE 1 -1.814 -0.282 8.104 8 HD2 PHE 1 2HD PHE 1 -4.391 2.733 6.564 9 HE1 PHE 1 1HE PHE 1 -1.232 1.176 9.998 10 HE2 PHE 1 2HE PHE 1 -3.814 4.198 8.455 11 HZ PHE 1 HZ PHE 1 -2.232 3.420 10.175 12 H VAL 2 H VAL 2 -1.876 -1.801 4.195 13 HA VAL 2 HA VAL 2 -2.725 -2.046 1.546 14 HB VAL 2 HB VAL 2 -1.047 -3.529 2.558 15 1HG1 VAL 2 1HG1 VAL 2 -3.162 -5.195 3.821 16 2HG1 VAL 2 2HG1 VAL 2 -2.591 -3.767 4.683 17 3HG1 VAL 2 3HG1 VAL 2 -1.454 -5.035 4.228 18 1HG2 VAL 2 1HG2 VAL 2 -1.996 -4.303 0.525 19 2HG2 VAL 2 2HG2 VAL 2 -3.462 -4.849 1.339 20 3HG2 VAL 2 3HG2 VAL 2 -1.936 -5.690 1.614 21 H SER 3 H SER 3 -4.367 -2.795 4.567 22 HA SER 3 HA SER 3 -6.523 -4.251 3.531 23 1HB SER 3 2HB SER 3 -5.991 -2.730 6.030 24 2HB SER 3 1HB SER 3 -7.677 -3.082 5.654 25 HG SER 3 HG SER 3 -7.334 -5.066 6.223 26 H THR 4 H THR 4 -5.875 -0.828 3.607 27 HA THR 4 HA THR 4 -8.547 -0.292 2.499 28 HB THR 4 HB THR 4 -6.680 1.867 3.408 29 HG1 THR 4 1HG THR 4 -6.785 1.177 5.367 30 1HG2 THR 4 1HG2 THR 4 -8.797 2.483 2.318 31 2HG2 THR 4 2HG2 THR 4 -8.693 3.040 3.989 32 3HG2 THR 4 3HG2 THR 4 -9.671 1.628 3.588 33 H CYS 5 H CYS 5 -6.138 -1.351 1.064 34 HA CYS 5 HA CYS 5 -5.043 0.681 -0.562 35 1HB CYS 5 2HB CYS 5 -3.998 -1.529 -0.314 36 2HB CYS 5 1HB CYS 5 -5.360 -2.272 -1.146 37 H TYR 6 H TYR 6 -5.438 1.068 -2.832 38 HA TYR 6 HA TYR 6 -8.286 0.769 -3.506 39 1HB TYR 6 2HB TYR 6 -7.986 2.735 -4.954 40 2HB TYR 6 1HB TYR 6 -7.554 3.089 -3.285 41 HD1 TYR 6 1HD TYR 6 -6.314 2.720 -6.700 42 HD2 TYR 6 2HD TYR 6 -5.222 3.466 -2.656 43 HE1 TYR 6 1HE TYR 6 -4.119 3.537 -7.450 44 HE2 TYR 6 2HE TYR 6 -3.025 4.286 -3.394 45 HH TYR 6 HH TYR 6 -1.518 3.881 -5.492 46 H LEU 7 H LEU 7 -5.040 0.729 -4.959 47 HA LEU 7 HA LEU 7 -6.033 -0.411 -7.416 48 1HB LEU 7 2HB LEU 7 -3.703 -0.436 -8.118 49 2HB LEU 7 1HB LEU 7 -4.140 1.127 -7.452 50 HG LEU 7 HG LEU 7 -3.117 0.145 -5.242 51 1HD1 LEU 7 1HD1 LEU 7 -2.468 -1.989 -5.589 52 2HD1 LEU 7 2HD1 LEU 7 -1.020 -1.210 -6.225 53 3HD1 LEU 7 3HD1 LEU 7 -2.278 -1.764 -7.328 54 1HD2 LEU 7 1HD2 LEU 7 -1.893 1.450 -7.587 55 2HD2 LEU 7 2HD2 LEU 7 -0.776 0.789 -6.393 56 3HD2 LEU 7 3HD2 LEU 7 -1.983 1.980 -5.907 57 HA PRO 8 HA PRO 8 -5.693 -4.662 -6.265 58 1HB PRO 8 2HB PRO 8 -5.335 -5.804 -8.692 59 2HB PRO 8 1HB PRO 8 -6.881 -5.116 -8.186 60 1HG PRO 8 2HG PRO 8 -4.756 -3.923 -9.926 61 2HG PRO 8 1HG PRO 8 -6.517 -3.910 -10.141 62 1HD PRO 8 2HD PRO 8 -5.143 -1.794 -9.143 63 2HD PRO 8 1HD PRO 8 -6.811 -2.168 -8.666 64 H LYS 9 H LYS 9 -4.234 -6.665 -7.267 65 HA LYS 9 HA LYS 9 -2.192 -7.663 -7.175 66 1HB LYS 9 2HB LYS 9 -1.972 -5.820 -9.102 67 2HB LYS 9 1HB LYS 9 -0.773 -5.180 -7.988 68 1HG LYS 9 2HG LYS 9 0.524 -6.540 -9.290 69 2HG LYS 9 1HG LYS 9 0.101 -7.644 -7.978 70 1HD LYS 9 2HD LYS 9 -1.170 -8.946 -9.314 71 2HD LYS 9 1HD LYS 9 -1.796 -7.573 -10.230 72 1HE LYS 9 2HE LYS 9 0.782 -7.553 -11.024 73 2HE LYS 9 1HE LYS 9 0.559 -9.276 -10.727 74 1HZ LYS 9 1HZ LYS 9 0.036 -8.440 -13.038 75 2HZ LYS 9 2HZ LYS 9 -1.336 -7.710 -12.372 76 3HZ LYS 9 3HZ LYS 9 -1.154 -9.390 -12.299 77 H CYS 10 H CYS 10 -3.197 -6.240 -4.845 78 HA CYS 10 HA CYS 10 -0.630 -5.769 -3.485 79 1HB CYS 10 2HB CYS 10 -2.731 -3.902 -3.853 80 2HB CYS 10 1HB CYS 10 -2.745 -4.359 -2.153 81 H ALA 11 H ALA 11 -0.822 -6.031 -1.073 82 HA ALA 11 HA ALA 11 -1.251 -7.349 0.732 83 1HB ALA 11 1HB ALA 11 -3.406 -7.427 1.399 84 2HB ALA 11 2HB ALA 11 -3.969 -8.092 -0.135 85 3HB ALA 11 3HB ALA 11 -3.648 -6.363 0.012 86 H ALA 12 H ALA 12 0.201 -8.979 0.163 87 HA ALA 12 HA ALA 12 -0.966 -11.332 -1.168 88 1HB ALA 12 1HB ALA 12 0.870 -10.743 -2.452 89 2HB ALA 12 2HB ALA 12 1.535 -11.974 -1.378 90 3HB ALA 12 3HB ALA 12 1.827 -10.266 -1.049 91 H ALA 13 H ALA 13 0.678 -10.176 1.690 92 HA ALA 13 HA ALA 13 0.003 -12.667 3.051 93 1HB ALA 13 1HB ALA 13 2.466 -12.570 2.116 94 2HB ALA 13 2HB ALA 13 2.115 -13.251 3.704 95 3HB ALA 13 3HB ALA 13 2.733 -11.605 3.568 96 H ALA 14 H ALA 14 -1.094 -10.020 3.175 97 HA ALA 14 HA ALA 14 -1.808 -8.492 4.703 98 1HB ALA 14 1HB ALA 14 -2.242 -9.261 6.815 99 2HB ALA 14 2HB ALA 14 -0.682 -10.071 6.960 100 3HB ALA 14 3HB ALA 14 -1.961 -10.788 5.979 101 H ASN 15 H ASN 15 0.886 -8.276 3.604 102 HA ASN 15 HA ASN 15 2.395 -7.066 5.798 103 1HB ASN 15 2HB ASN 15 3.075 -8.055 3.070 104 2HB ASN 15 1HB ASN 15 4.057 -6.757 3.742 105 1HD2 ASN 15 1HD2 ASN 15 5.855 -7.539 4.545 106 2HD2 ASN 15 2HD2 ASN 15 6.016 -8.989 5.469 107 H VAL 16 H VAL 16 1.880 -5.022 6.225 108 HA VAL 16 HA VAL 16 0.571 -3.264 4.481 109 HB VAL 16 HB VAL 16 0.562 -2.969 6.918 110 1HG1 VAL 16 1HG1 VAL 16 3.352 -1.877 6.720 111 2HG1 VAL 16 2HG1 VAL 16 3.034 -3.563 7.130 112 3HG1 VAL 16 3HG1 VAL 16 2.422 -2.272 8.166 113 1HG2 VAL 16 1HG2 VAL 16 0.597 -0.606 6.938 114 2HG2 VAL 16 2HG2 VAL 16 0.158 -1.070 5.294 115 3HG2 VAL 16 3HG2 VAL 16 1.802 -0.538 5.652 116 H ALA 17 H ALA 17 4.001 -3.714 5.193 117 HA ALA 17 HA ALA 17 5.011 -1.477 3.857 118 1HB ALA 17 1HB ALA 17 6.257 -4.194 4.259 119 2HB ALA 17 2HB ALA 17 6.408 -2.792 5.317 120 3HB ALA 17 3HB ALA 17 7.123 -2.761 3.707 121 H ALA 18 H ALA 18 4.349 -4.752 2.661 122 HA ALA 18 HA ALA 18 5.319 -4.435 0.063 123 1HB ALA 18 1HB ALA 18 3.104 -6.176 1.127 124 2HB ALA 18 2HB ALA 18 4.791 -6.618 0.860 125 3HB ALA 18 3HB ALA 18 3.737 -6.288 -0.515 126 H HIS 19 H HIS 19 2.538 -3.088 1.555 127 HA HIS 19 HA HIS 19 1.150 -2.600 -0.945 128 1HB HIS 19 2HB HIS 19 -0.406 -2.986 0.723 129 2HB HIS 19 1HB HIS 19 0.556 -2.180 1.954 130 HD2 HIS 19 2HD HIS 19 -0.573 0.101 2.722 131 HE1 HIS 19 1HE HIS 19 -2.525 1.034 -0.915 132 HE2 HIS 19 2HE HIS 19 -1.979 1.851 1.422 133 H ILE 20 H ILE 20 2.155 -0.445 1.718 134 HA ILE 20 HA ILE 20 2.035 1.914 0.229 135 HB ILE 20 HB ILE 20 2.086 1.879 2.679 136 1HG1 ILE 20 2HG1 ILE 20 4.517 3.446 1.932 137 2HG1 ILE 20 1HG1 ILE 20 2.999 3.822 1.125 138 1HG2 ILE 20 1HG2 ILE 20 3.562 0.460 3.587 139 2HG2 ILE 20 2HG2 ILE 20 4.696 1.803 3.452 140 3HG2 ILE 20 3HG2 ILE 20 4.654 0.556 2.205 141 1HD1 ILE 20 1HD1 ILE 20 1.998 4.552 3.072 142 2HD1 ILE 20 2HD1 ILE 20 3.658 5.118 3.251 143 3HD1 ILE 20 3HD1 ILE 20 3.124 3.670 4.103 144 H THR 21 H THR 21 4.458 -0.549 0.265 145 HA THR 21 HA THR 21 6.784 0.779 -0.339 146 HB THR 21 HB THR 21 6.714 -1.634 -0.059 147 HG1 THR 21 1HG THR 21 8.477 -1.007 -1.203 148 1HG2 THR 21 1HG2 THR 21 5.678 -3.142 -1.412 149 2HG2 THR 21 2HG2 THR 21 5.701 -2.071 -2.813 150 3HG2 THR 21 3HG2 THR 21 4.539 -1.798 -1.515 151 H HIS 22 H HIS 22 4.224 -0.171 -2.613 152 HA HIS 22 HA HIS 22 5.469 1.576 -4.629 153 1HB HIS 22 2HB HIS 22 4.235 0.290 -6.310 154 2HB HIS 22 1HB HIS 22 5.242 -0.768 -5.327 155 HD1 HIS 22 1HD HIS 22 4.061 -2.503 -3.864 156 HD2 HIS 22 2HD HIS 22 1.453 -0.022 -5.937 157 HE1 HIS 22 1HE HIS 22 1.792 -3.557 -3.618 158 HE2 HIS 22 2HE HIS 22 0.248 -2.093 -4.965 159 H CYS 23 H CYS 23 2.578 0.933 -2.798 160 HA CYS 23 HA CYS 23 0.928 2.755 -4.298 161 1HB CYS 23 2HB CYS 23 0.560 1.205 -1.747 162 2HB CYS 23 1HB CYS 23 -0.612 2.413 -2.253 163 H TYR 24 H TYR 24 0.480 4.850 -3.867 164 HA TYR 24 HA TYR 24 1.117 6.074 -1.349 165 1HB TYR 24 2HB TYR 24 2.933 6.356 -3.686 166 2HB TYR 24 1HB TYR 24 2.582 7.816 -2.767 167 HD1 TYR 24 1HD TYR 24 2.537 7.060 -0.033 168 HD2 TYR 24 2HD TYR 24 5.011 5.531 -3.138 169 HE1 TYR 24 1HE TYR 24 4.226 6.417 1.636 170 HE2 TYR 24 2HE TYR 24 6.706 4.884 -1.477 171 HH TYR 24 HH TYR 24 6.104 4.716 1.795 172 H LYS 25 H LYS 25 0.468 6.678 -4.790 173 HA LYS 25 HA LYS 25 -1.965 8.022 -4.264 174 1HB LYS 25 2HB LYS 25 -1.263 10.277 -5.105 175 2HB LYS 25 1HB LYS 25 -0.627 9.862 -3.518 176 1HG LYS 25 2HG LYS 25 1.508 9.219 -4.586 177 2HG LYS 25 1HG LYS 25 0.859 9.764 -6.134 178 1HD LYS 25 2HD LYS 25 2.050 11.617 -5.416 179 2HD LYS 25 1HD LYS 25 0.413 11.990 -4.874 180 1HE LYS 25 2HE LYS 25 2.347 10.574 -3.076 181 2HE LYS 25 1HE LYS 25 2.382 12.329 -3.236 182 1HZ LYS 25 1HZ LYS 25 -0.207 11.936 -2.807 183 2HZ LYS 25 2HZ LYS 25 0.904 12.197 -1.560 184 3HZ LYS 25 3HZ LYS 25 0.418 10.623 -1.942 Start of MODEL 4 1 1H PHE 1 1HT PHE 1 -1.527 2.081 5.512 2 2H PHE 1 2HT PHE 1 -2.392 2.094 4.029 3 3H PHE 1 3HT PHE 1 -0.870 1.307 4.131 4 HA PHE 1 HA PHE 1 -1.738 -0.300 5.612 5 1HB PHE 1 2HB PHE 1 -4.234 1.385 5.359 6 2HB PHE 1 1HB PHE 1 -4.243 -0.251 6.011 7 HD1 PHE 1 1HD PHE 1 -3.759 3.204 6.723 8 HD2 PHE 1 2HD PHE 1 -2.771 -0.720 8.039 9 HE1 PHE 1 1HE PHE 1 -3.195 4.097 8.945 10 HE2 PHE 1 2HE PHE 1 -2.206 0.165 10.266 11 HZ PHE 1 HZ PHE 1 -2.417 2.576 10.720 12 H VAL 2 H VAL 2 -1.977 -2.149 4.528 13 HA VAL 2 HA VAL 2 -2.384 -2.233 1.760 14 HB VAL 2 HB VAL 2 -1.184 -3.990 2.988 15 1HG1 VAL 2 1HG1 VAL 2 -3.804 -5.141 3.866 16 2HG1 VAL 2 2HG1 VAL 2 -2.953 -3.970 4.872 17 3HG1 VAL 2 3HG1 VAL 2 -2.177 -5.496 4.448 18 1HG2 VAL 2 1HG2 VAL 2 -1.992 -4.516 0.776 19 2HG2 VAL 2 2HG2 VAL 2 -3.575 -4.955 1.421 20 3HG2 VAL 2 3HG2 VAL 2 -2.161 -5.936 1.808 21 H SER 3 H SER 3 -4.603 -2.872 4.443 22 HA SER 3 HA SER 3 -6.774 -3.810 2.945 23 1HB SER 3 2HB SER 3 -6.310 -3.512 5.590 24 2HB SER 3 1HB SER 3 -7.396 -2.150 5.320 25 HG SER 3 HG SER 3 -7.880 -4.889 5.123 26 H THR 4 H THR 4 -5.623 -0.573 3.571 27 HA THR 4 HA THR 4 -7.976 0.765 2.666 28 HB THR 4 HB THR 4 -5.159 1.844 2.848 29 HG1 THR 4 1HG THR 4 -5.838 2.541 4.927 30 1HG2 THR 4 1HG2 THR 4 -7.622 3.062 2.069 31 2HG2 THR 4 2HG2 THR 4 -6.005 3.761 2.159 32 3HG2 THR 4 3HG2 THR 4 -7.051 3.773 3.579 33 H CYS 5 H CYS 5 -5.266 -0.673 1.108 34 HA CYS 5 HA CYS 5 -5.114 0.807 -1.251 35 1HB CYS 5 2HB CYS 5 -3.595 -1.096 -0.418 36 2HB CYS 5 1HB CYS 5 -4.760 -2.182 -1.168 37 H TYR 6 H TYR 6 -6.398 1.015 -2.969 38 HA TYR 6 HA TYR 6 -8.898 -0.467 -3.026 39 1HB TYR 6 2HB TYR 6 -9.419 1.114 -4.938 40 2HB TYR 6 1HB TYR 6 -9.148 1.874 -3.373 41 HD1 TYR 6 1HD TYR 6 -7.730 1.294 -6.719 42 HD2 TYR 6 2HD TYR 6 -7.268 3.326 -3.010 43 HE1 TYR 6 1HE TYR 6 -6.006 2.729 -7.727 44 HE2 TYR 6 2HE TYR 6 -5.544 4.768 -4.008 45 HH TYR 6 HH TYR 6 -3.871 4.505 -6.034 46 H LEU 7 H LEU 7 -6.087 0.086 -5.117 47 HA LEU 7 HA LEU 7 -7.029 -1.677 -7.169 48 1HB LEU 7 2HB LEU 7 -4.888 -1.318 -8.218 49 2HB LEU 7 1HB LEU 7 -5.517 0.211 -7.635 50 HG LEU 7 HG LEU 7 -4.014 -0.366 -5.530 51 1HD1 LEU 7 1HD1 LEU 7 -3.006 -2.358 -5.922 52 2HD1 LEU 7 2HD1 LEU 7 -1.836 -1.316 -6.732 53 3HD1 LEU 7 3HD1 LEU 7 -3.059 -2.168 -7.675 54 1HD2 LEU 7 1HD2 LEU 7 -3.469 1.624 -6.472 55 2HD2 LEU 7 2HD2 LEU 7 -3.431 0.967 -8.108 56 3HD2 LEU 7 3HD2 LEU 7 -2.072 0.696 -7.017 57 HA PRO 8 HA PRO 8 -5.606 -5.482 -5.406 58 1HB PRO 8 2HB PRO 8 -5.559 -7.030 -7.611 59 2HB PRO 8 1HB PRO 8 -7.073 -6.476 -6.884 60 1HG PRO 8 2HG PRO 8 -5.601 -5.392 -9.255 61 2HG PRO 8 1HG PRO 8 -7.340 -5.670 -9.050 62 1HD PRO 8 2HD PRO 8 -6.174 -3.221 -8.775 63 2HD PRO 8 1HD PRO 8 -7.646 -3.701 -7.908 64 H LYS 9 H LYS 9 -4.013 -7.380 -6.398 65 HA LYS 9 HA LYS 9 -1.841 -7.993 -6.673 66 1HB LYS 9 2HB LYS 9 -1.473 -5.456 -8.258 67 2HB LYS 9 1HB LYS 9 -0.593 -6.970 -8.420 68 1HG LYS 9 2HG LYS 9 -2.718 -8.039 -9.170 69 2HG LYS 9 1HG LYS 9 -3.457 -6.436 -9.172 70 1HD LYS 9 2HD LYS 9 -2.778 -6.387 -11.318 71 2HD LYS 9 1HD LYS 9 -1.212 -5.968 -10.620 72 1HE LYS 9 2HE LYS 9 -0.572 -7.710 -11.941 73 2HE LYS 9 1HE LYS 9 -0.982 -8.600 -10.476 74 1HZ LYS 9 1HZ LYS 9 -1.903 -9.460 -12.665 75 2HZ LYS 9 2HZ LYS 9 -2.967 -8.146 -12.619 76 3HZ LYS 9 3HZ LYS 9 -2.998 -9.301 -11.383 77 H CYS 10 H CYS 10 -2.487 -6.534 -4.344 78 HA CYS 10 HA CYS 10 0.139 -5.366 -3.764 79 1HB CYS 10 2HB CYS 10 -2.081 -3.780 -4.077 80 2HB CYS 10 1HB CYS 10 -2.072 -4.060 -2.339 81 H ALA 11 H ALA 11 -2.939 -6.478 -2.372 82 HA ALA 11 HA ALA 11 -1.599 -7.197 0.111 83 1HB ALA 11 1HB ALA 11 -3.682 -7.344 1.083 84 2HB ALA 11 2HB ALA 11 -4.475 -7.786 -0.429 85 3HB ALA 11 3HB ALA 11 -3.960 -6.121 -0.157 86 H ALA 12 H ALA 12 -0.319 -8.952 -0.366 87 HA ALA 12 HA ALA 12 -1.661 -11.331 -1.457 88 1HB ALA 12 1HB ALA 12 0.557 -10.251 -2.416 89 2HB ALA 12 2HB ALA 12 0.304 -11.997 -2.403 90 3HB ALA 12 3HB ALA 12 1.292 -11.240 -1.154 91 H ALA 13 H ALA 13 0.148 -10.085 1.263 92 HA ALA 13 HA ALA 13 -0.607 -12.458 2.799 93 1HB ALA 13 1HB ALA 13 1.798 -12.170 3.863 94 2HB ALA 13 2HB ALA 13 2.169 -11.549 2.254 95 3HB ALA 13 3HB ALA 13 1.527 -13.181 2.444 96 H ALA 14 H ALA 14 -1.535 -9.677 2.691 97 HA ALA 14 HA ALA 14 -2.174 -8.010 4.103 98 1HB ALA 14 1HB ALA 14 -2.604 -10.248 5.455 99 2HB ALA 14 2HB ALA 14 -2.856 -8.660 6.177 100 3HB ALA 14 3HB ALA 14 -1.373 -9.553 6.509 101 H ASN 15 H ASN 15 0.603 -8.125 3.196 102 HA ASN 15 HA ASN 15 2.139 -7.074 5.431 103 1HB ASN 15 2HB ASN 15 2.864 -8.558 3.259 104 2HB ASN 15 1HB ASN 15 3.312 -6.939 2.730 105 1HD2 ASN 15 1HD2 ASN 15 5.362 -6.548 3.083 106 2HD2 ASN 15 2HD2 ASN 15 6.280 -7.052 4.456 107 H VAL 16 H VAL 16 1.796 -5.025 5.978 108 HA VAL 16 HA VAL 16 0.660 -3.070 4.300 109 HB VAL 16 HB VAL 16 0.550 -2.936 6.749 110 1HG1 VAL 16 1HG1 VAL 16 2.458 -2.258 8.071 111 2HG1 VAL 16 2HG1 VAL 16 3.475 -2.214 6.631 112 3HG1 VAL 16 3HG1 VAL 16 2.831 -3.751 7.208 113 1HG2 VAL 16 1HG2 VAL 16 0.263 -0.913 5.353 114 2HG2 VAL 16 2HG2 VAL 16 1.976 -0.553 5.572 115 3HG2 VAL 16 3HG2 VAL 16 0.890 -0.557 6.961 116 H ALA 17 H ALA 17 4.013 -3.795 5.154 117 HA ALA 17 HA ALA 17 5.233 -1.559 4.007 118 1HB ALA 17 1HB ALA 17 6.210 -4.362 4.473 119 2HB ALA 17 2HB ALA 17 6.558 -2.907 5.408 120 3HB ALA 17 3HB ALA 17 7.241 -3.103 3.793 121 H ALA 18 H ALA 18 4.607 -4.764 2.586 122 HA ALA 18 HA ALA 18 5.679 -4.270 0.058 123 1HB ALA 18 1HB ALA 18 3.281 -5.980 0.146 124 2HB ALA 18 2HB ALA 18 4.586 -6.425 1.246 125 3HB ALA 18 3HB ALA 18 4.893 -6.313 -0.487 126 H HIS 19 H HIS 19 2.799 -3.078 1.502 127 HA HIS 19 HA HIS 19 1.536 -2.435 -1.030 128 1HB HIS 19 2HB HIS 19 -0.115 -2.973 0.486 129 2HB HIS 19 1HB HIS 19 0.763 -2.291 1.848 130 HD2 HIS 19 2HD HIS 19 -0.414 -0.091 2.769 131 HE1 HIS 19 1HE HIS 19 -2.206 1.165 -0.853 132 HE2 HIS 19 2HE HIS 19 -2.058 1.572 1.646 133 H ILE 20 H ILE 20 2.406 -0.504 1.844 134 HA ILE 20 HA ILE 20 2.273 1.980 0.567 135 HB ILE 20 HB ILE 20 2.254 1.717 3.009 136 1HG1 ILE 20 2HG1 ILE 20 3.709 3.638 3.546 137 2HG1 ILE 20 1HG1 ILE 20 4.511 3.458 1.989 138 1HG2 ILE 20 1HG2 ILE 20 4.251 1.263 4.263 139 2HG2 ILE 20 2HG2 ILE 20 5.214 1.200 2.787 140 3HG2 ILE 20 3HG2 ILE 20 4.001 -0.042 3.104 141 1HD1 ILE 20 1HD1 ILE 20 1.719 3.637 1.529 142 2HD1 ILE 20 2HD1 ILE 20 2.994 4.761 1.059 143 3HD1 ILE 20 3HD1 ILE 20 2.191 4.940 2.619 144 H THR 21 H THR 21 4.696 -0.451 0.395 145 HA THR 21 HA THR 21 7.046 0.915 0.025 146 HB THR 21 HB THR 21 6.893 -1.529 -0.008 147 HG1 THR 21 1HG THR 21 8.680 -1.517 -1.078 148 1HG2 THR 21 1HG2 THR 21 5.999 -2.806 -1.690 149 2HG2 THR 21 2HG2 THR 21 6.056 -1.493 -2.865 150 3HG2 THR 21 3HG2 THR 21 4.837 -1.483 -1.591 151 H HIS 22 H HIS 22 4.543 0.298 -2.423 152 HA HIS 22 HA HIS 22 5.851 2.300 -4.143 153 1HB HIS 22 2HB HIS 22 4.728 1.223 -6.038 154 2HB HIS 22 1HB HIS 22 5.729 0.071 -5.159 155 HD1 HIS 22 1HD HIS 22 4.580 -1.941 -4.146 156 HD2 HIS 22 2HD HIS 22 1.914 0.851 -5.686 157 HE1 HIS 22 1HE HIS 22 2.331 -3.067 -4.109 158 HE2 HIS 22 2HE HIS 22 0.752 -1.393 -5.135 159 H CYS 23 H CYS 23 2.879 1.346 -2.587 160 HA CYS 23 HA CYS 23 1.234 3.273 -3.925 161 1HB CYS 23 2HB CYS 23 0.865 1.458 -1.562 162 2HB CYS 23 1HB CYS 23 -0.317 2.714 -1.907 163 H TYR 24 H TYR 24 0.965 5.359 -3.463 164 HA TYR 24 HA TYR 24 1.591 6.349 -0.787 165 1HB TYR 24 2HB TYR 24 3.069 7.015 -3.274 166 2HB TYR 24 1HB TYR 24 2.696 8.355 -2.195 167 HD1 TYR 24 1HD TYR 24 4.158 8.834 -0.462 168 HD2 TYR 24 2HD TYR 24 4.162 4.920 -2.130 169 HE1 TYR 24 1HE TYR 24 6.090 8.245 0.940 170 HE2 TYR 24 2HE TYR 24 6.094 4.320 -0.732 171 HH TYR 24 HH TYR 24 7.186 6.301 1.844 172 H LYS 25 H LYS 25 1.037 8.792 -0.694 173 HA LYS 25 HA LYS 25 -0.574 10.395 -0.769 174 1HB LYS 25 2HB LYS 25 -0.527 9.386 -3.581 175 2HB LYS 25 1HB LYS 25 -1.804 10.496 -3.103 176 1HG LYS 25 2HG LYS 25 1.011 11.207 -2.460 177 2HG LYS 25 1HG LYS 25 0.449 11.366 -4.126 178 1HD LYS 25 2HD LYS 25 -0.889 13.119 -3.642 179 2HD LYS 25 1HD LYS 25 -1.351 12.465 -2.070 180 1HE LYS 25 2HE LYS 25 1.205 13.900 -2.769 181 2HE LYS 25 1HE LYS 25 -0.095 14.486 -1.732 182 1HZ LYS 25 1HZ LYS 25 1.255 13.692 -0.133 183 2HZ LYS 25 2HZ LYS 25 2.028 12.587 -1.153 184 3HZ LYS 25 3HZ LYS 25 0.512 12.217 -0.502 Start of MODEL 5 1 1H PHE 1 1HT PHE 1 -2.132 2.370 5.072 2 2H PHE 1 2HT PHE 1 -2.821 2.044 3.535 3 3H PHE 1 3HT PHE 1 -1.205 1.575 3.869 4 HA PHE 1 HA PHE 1 -1.845 -0.072 5.315 5 1HB PHE 1 2HB PHE 1 -4.336 1.548 5.390 6 2HB PHE 1 1HB PHE 1 -4.520 -0.191 5.601 7 HD1 PHE 1 1HD PHE 1 -4.506 2.609 7.412 8 HD2 PHE 1 2HD PHE 1 -2.309 -1.029 7.173 9 HE1 PHE 1 1HE PHE 1 -3.879 2.836 9.781 10 HE2 PHE 1 2HE PHE 1 -1.678 -0.808 9.541 11 HZ PHE 1 HZ PHE 1 -2.465 1.126 10.848 12 H VAL 2 H VAL 2 -1.687 -1.867 4.152 13 HA VAL 2 HA VAL 2 -2.491 -2.129 1.491 14 HB VAL 2 HB VAL 2 -0.741 -3.523 2.506 15 1HG1 VAL 2 1HG1 VAL 2 -1.420 -5.500 3.857 16 2HG1 VAL 2 2HG1 VAL 2 -3.042 -4.816 3.961 17 3HG1 VAL 2 3HG1 VAL 2 -1.675 -3.956 4.670 18 1HG2 VAL 2 1HG2 VAL 2 -1.812 -4.253 0.434 19 2HG2 VAL 2 2HG2 VAL 2 -3.026 -5.131 1.366 20 3HG2 VAL 2 3HG2 VAL 2 -1.337 -5.632 1.425 21 H SER 3 H SER 3 -4.177 -2.828 4.470 22 HA SER 3 HA SER 3 -6.221 -4.456 3.399 23 1HB SER 3 2HB SER 3 -5.675 -4.226 5.837 24 2HB SER 3 1HB SER 3 -6.424 -2.631 5.804 25 HG SER 3 HG SER 3 -7.610 -5.163 5.517 26 H THR 4 H THR 4 -5.757 -1.001 3.535 27 HA THR 4 HA THR 4 -8.422 -0.601 2.352 28 HB THR 4 HB THR 4 -6.693 1.590 3.473 29 HG1 THR 4 1HG THR 4 -6.937 0.623 5.321 30 1HG2 THR 4 1HG2 THR 4 -8.654 2.269 2.174 31 2HG2 THR 4 2HG2 THR 4 -8.787 2.722 3.873 32 3HG2 THR 4 3HG2 THR 4 -9.682 1.332 3.258 33 H CYS 5 H CYS 5 -5.965 -1.489 0.951 34 HA CYS 5 HA CYS 5 -4.875 0.641 -0.548 35 1HB CYS 5 2HB CYS 5 -3.759 -1.525 -0.387 36 2HB CYS 5 1HB CYS 5 -5.095 -2.299 -1.232 37 H TYR 6 H TYR 6 -5.207 1.117 -2.808 38 HA TYR 6 HA TYR 6 -8.040 0.969 -3.524 39 1HB TYR 6 2HB TYR 6 -7.498 2.758 -5.146 40 2HB TYR 6 1HB TYR 6 -7.070 3.197 -3.495 41 HD1 TYR 6 1HD TYR 6 -5.779 2.350 -6.816 42 HD2 TYR 6 2HD TYR 6 -4.746 3.434 -2.834 43 HE1 TYR 6 1HE TYR 6 -3.488 2.857 -7.555 44 HE2 TYR 6 2HE TYR 6 -2.453 3.944 -3.561 45 HH TYR 6 HH TYR 6 -0.923 3.316 -5.404 46 H LEU 7 H LEU 7 -4.833 0.412 -4.952 47 HA LEU 7 HA LEU 7 -6.001 -0.827 -7.295 48 1HB LEU 7 2HB LEU 7 -3.750 -1.028 -8.109 49 2HB LEU 7 1HB LEU 7 -3.975 0.581 -7.450 50 HG LEU 7 HG LEU 7 -2.931 -0.500 -5.285 51 1HD1 LEU 7 1HD1 LEU 7 -2.513 -2.684 -5.674 52 2HD1 LEU 7 2HD1 LEU 7 -1.031 -2.040 -6.381 53 3HD1 LEU 7 3HD1 LEU 7 -2.392 -2.465 -7.420 54 1HD2 LEU 7 1HD2 LEU 7 -1.704 1.246 -6.052 55 2HD2 LEU 7 2HD2 LEU 7 -1.699 0.659 -7.715 56 3HD2 LEU 7 3HD2 LEU 7 -0.611 -0.055 -6.523 57 HA PRO 8 HA PRO 8 -5.878 -4.942 -5.662 58 1HB PRO 8 2HB PRO 8 -6.038 -6.358 -7.945 59 2HB PRO 8 1HB PRO 8 -7.400 -5.412 -7.334 60 1HG PRO 8 2HG PRO 8 -5.431 -4.728 -9.482 61 2HG PRO 8 1HG PRO 8 -7.188 -4.492 -9.459 62 1HD PRO 8 2HD PRO 8 -5.393 -2.504 -8.918 63 2HD PRO 8 1HD PRO 8 -7.035 -2.551 -8.245 64 H LYS 9 H LYS 9 -4.711 -7.096 -6.120 65 HA LYS 9 HA LYS 9 -2.766 -8.273 -6.141 66 1HB LYS 9 2HB LYS 9 -2.412 -6.354 -8.399 67 2HB LYS 9 1HB LYS 9 -1.023 -7.300 -7.883 68 1HG LYS 9 2HG LYS 9 -3.519 -8.807 -8.299 69 2HG LYS 9 1HG LYS 9 -2.780 -8.111 -9.743 70 1HD LYS 9 2HD LYS 9 -0.733 -9.268 -9.344 71 2HD LYS 9 1HD LYS 9 -1.266 -9.779 -7.741 72 1HE LYS 9 2HE LYS 9 -1.371 -11.533 -9.556 73 2HE LYS 9 1HE LYS 9 -2.857 -11.275 -8.643 74 1HZ LYS 9 1HZ LYS 9 -3.177 -11.457 -11.079 75 2HZ LYS 9 2HZ LYS 9 -2.297 -10.026 -11.275 76 3HZ LYS 9 3HZ LYS 9 -3.761 -10.008 -10.428 77 H CYS 10 H CYS 10 -2.982 -6.472 -4.088 78 HA CYS 10 HA CYS 10 -0.212 -5.512 -3.795 79 1HB CYS 10 2HB CYS 10 -2.384 -3.882 -3.832 80 2HB CYS 10 1HB CYS 10 -2.278 -4.237 -2.111 81 H ALA 11 H ALA 11 -3.062 -6.780 -2.117 82 HA ALA 11 HA ALA 11 -1.399 -7.508 0.179 83 1HB ALA 11 1HB ALA 11 -4.272 -8.161 0.217 84 2HB ALA 11 2HB ALA 11 -3.875 -6.445 0.121 85 3HB ALA 11 3HB ALA 11 -3.256 -7.419 1.454 86 H ALA 12 H ALA 12 -0.315 -9.351 -0.203 87 HA ALA 12 HA ALA 12 -1.804 -11.628 -1.331 88 1HB ALA 12 1HB ALA 12 0.385 -10.652 -2.404 89 2HB ALA 12 2HB ALA 12 0.106 -12.392 -2.344 90 3HB ALA 12 3HB ALA 12 1.170 -11.629 -1.163 91 H ALA 13 H ALA 13 0.179 -10.532 1.332 92 HA ALA 13 HA ALA 13 -0.624 -12.895 2.853 93 1HB ALA 13 1HB ALA 13 2.210 -12.000 3.113 94 2HB ALA 13 2HB ALA 13 1.756 -13.069 1.785 95 3HB ALA 13 3HB ALA 13 1.489 -13.574 3.454 96 H ALA 14 H ALA 14 -1.396 -10.068 2.852 97 HA ALA 14 HA ALA 14 -1.870 -8.404 4.330 98 1HB ALA 14 1HB ALA 14 -2.406 -10.594 5.657 99 2HB ALA 14 2HB ALA 14 -2.396 -9.034 6.477 100 3HB ALA 14 3HB ALA 14 -1.008 -10.113 6.617 101 H ASN 15 H ASN 15 0.022 -7.293 3.436 102 HA ASN 15 HA ASN 15 1.990 -6.769 5.545 103 1HB ASN 15 2HB ASN 15 2.685 -8.281 3.396 104 2HB ASN 15 1HB ASN 15 3.057 -6.669 2.791 105 1HD2 ASN 15 1HD2 ASN 15 5.160 -6.393 2.948 106 2HD2 ASN 15 2HD2 ASN 15 6.130 -6.745 4.334 107 H VAL 16 H VAL 16 1.949 -4.684 6.023 108 HA VAL 16 HA VAL 16 0.627 -2.773 4.365 109 HB VAL 16 HB VAL 16 0.583 -2.606 6.819 110 1HG1 VAL 16 1HG1 VAL 16 3.400 -1.603 6.794 111 2HG1 VAL 16 2HG1 VAL 16 3.069 -3.327 6.960 112 3HG1 VAL 16 3HG1 VAL 16 2.431 -2.189 8.146 113 1HG2 VAL 16 1HG2 VAL 16 0.324 -0.611 5.286 114 2HG2 VAL 16 2HG2 VAL 16 1.990 -0.198 5.692 115 3HG2 VAL 16 3HG2 VAL 16 0.761 -0.252 6.956 116 H ALA 17 H ALA 17 4.010 -3.415 5.199 117 HA ALA 17 HA ALA 17 5.166 -1.207 3.938 118 1HB ALA 17 1HB ALA 17 6.339 -2.765 5.480 119 2HB ALA 17 2HB ALA 17 7.237 -2.423 4.001 120 3HB ALA 17 3HB ALA 17 6.382 -3.955 4.180 121 H ALA 18 H ALA 18 4.612 -4.489 2.669 122 HA ALA 18 HA ALA 18 5.632 -4.080 0.106 123 1HB ALA 18 1HB ALA 18 3.398 -5.911 0.975 124 2HB ALA 18 2HB ALA 18 5.120 -6.293 0.954 125 3HB ALA 18 3HB ALA 18 4.261 -6.009 -0.560 126 H HIS 19 H HIS 19 2.743 -2.899 1.542 127 HA HIS 19 HA HIS 19 1.419 -2.403 -0.990 128 1HB HIS 19 2HB HIS 19 -0.186 -2.894 0.590 129 2HB HIS 19 1HB HIS 19 0.708 -2.125 1.895 130 HD2 HIS 19 2HD HIS 19 -0.484 0.103 2.727 131 HE1 HIS 19 1HE HIS 19 -2.402 1.119 -0.907 132 HE2 HIS 19 2HE HIS 19 -1.920 1.861 1.470 133 H ILE 20 H ILE 20 2.289 -0.302 1.764 134 HA ILE 20 HA ILE 20 2.087 2.104 0.354 135 HB ILE 20 HB ILE 20 2.102 1.959 2.812 136 1HG1 ILE 20 2HG1 ILE 20 3.629 3.926 3.210 137 2HG1 ILE 20 1HG1 ILE 20 4.197 3.739 1.554 138 1HG2 ILE 20 1HG2 ILE 20 4.024 0.277 2.815 139 2HG2 ILE 20 2HG2 ILE 20 4.011 1.502 4.083 140 3HG2 ILE 20 3HG2 ILE 20 5.087 1.679 2.697 141 1HD1 ILE 20 1HD1 ILE 20 1.449 4.491 2.496 142 2HD1 ILE 20 2HD1 ILE 20 1.797 4.011 0.835 143 3HD1 ILE 20 3HD1 ILE 20 2.571 5.439 1.520 144 H THR 21 H THR 21 4.627 -0.246 0.407 145 HA THR 21 HA THR 21 6.903 1.178 -0.119 146 HB THR 21 HB THR 21 6.905 -1.246 0.083 147 HG1 THR 21 1HG THR 21 8.697 -0.645 -0.952 148 1HG2 THR 21 1HG2 THR 21 5.954 -2.737 -1.340 149 2HG2 THR 21 2HG2 THR 21 6.017 -1.637 -2.717 150 3HG2 THR 21 3HG2 THR 21 4.789 -1.420 -1.472 151 H HIS 22 H HIS 22 4.399 0.264 -2.465 152 HA HIS 22 HA HIS 22 5.650 2.105 -4.395 153 1HB HIS 22 2HB HIS 22 4.537 0.835 -6.159 154 2HB HIS 22 1HB HIS 22 5.524 -0.231 -5.166 155 HD1 HIS 22 1HD HIS 22 4.362 -2.156 -4.031 156 HD2 HIS 22 2HD HIS 22 1.707 0.563 -5.711 157 HE1 HIS 22 1HE HIS 22 2.098 -3.240 -3.872 158 HE2 HIS 22 2HE HIS 22 0.525 -1.621 -4.990 159 H CYS 23 H CYS 23 2.692 1.242 -2.742 160 HA CYS 23 HA CYS 23 1.024 3.047 -4.214 161 1HB CYS 23 2HB CYS 23 0.679 1.424 -1.709 162 2HB CYS 23 1HB CYS 23 -0.520 2.628 -2.163 163 H TYR 24 H TYR 24 0.558 5.132 -3.818 164 HA TYR 24 HA TYR 24 1.329 6.331 -1.270 165 1HB TYR 24 2HB TYR 24 2.564 6.928 -3.908 166 2HB TYR 24 1HB TYR 24 2.211 8.300 -2.863 167 HD1 TYR 24 1HD TYR 24 4.422 5.531 -3.498 168 HD2 TYR 24 2HD TYR 24 3.222 8.359 -0.555 169 HE1 TYR 24 1HE TYR 24 6.496 5.102 -2.248 170 HE2 TYR 24 2HE TYR 24 5.293 7.939 0.702 171 HH TYR 24 HH TYR 24 7.766 7.012 -0.081 172 H LYS 25 H LYS 25 -0.090 6.910 -4.477 173 HA LYS 25 HA LYS 25 -2.550 7.809 -3.462 174 1HB LYS 25 2HB LYS 25 -2.434 10.191 -3.971 175 2HB LYS 25 1HB LYS 25 -1.242 9.764 -2.751 176 1HG LYS 25 2HG LYS 25 0.420 9.604 -4.679 177 2HG LYS 25 1HG LYS 25 -0.801 10.443 -5.637 178 1HD LYS 25 2HD LYS 25 0.320 12.263 -4.873 179 2HD LYS 25 1HD LYS 25 -0.773 12.049 -3.504 180 1HE LYS 25 2HE LYS 25 1.764 10.533 -3.426 181 2HE LYS 25 1HE LYS 25 1.888 12.282 -3.247 182 1HZ LYS 25 1HZ LYS 25 0.274 10.439 -1.570 183 2HZ LYS 25 2HZ LYS 25 0.233 12.125 -1.443 184 3HZ LYS 25 3HZ LYS 25 1.660 11.286 -1.099 Start of MODEL 6 1 1H PHE 1 1HT PHE 1 -2.944 2.722 4.906 2 2H PHE 1 2HT PHE 1 -3.793 2.190 3.512 3 3H PHE 1 3HT PHE 1 -2.077 2.229 3.512 4 HA PHE 1 HA PHE 1 -1.906 0.476 4.962 5 1HB PHE 1 2HB PHE 1 -4.844 0.987 5.450 6 2HB PHE 1 1HB PHE 1 -4.027 -0.471 6.005 7 HD1 PHE 1 1HD PHE 1 -1.592 0.265 7.138 8 HD2 PHE 1 2HD PHE 1 -5.224 2.481 7.134 9 HE1 PHE 1 1HE PHE 1 -0.870 1.442 9.175 10 HE2 PHE 1 2HE PHE 1 -4.509 3.664 9.170 11 HZ PHE 1 HZ PHE 1 -2.330 3.145 10.192 12 H VAL 2 H VAL 2 -1.911 -1.611 4.210 13 HA VAL 2 HA VAL 2 -2.611 -2.082 1.545 14 HB VAL 2 HB VAL 2 -0.884 -3.372 2.726 15 1HG1 VAL 2 1HG1 VAL 2 -3.052 -4.972 4.042 16 2HG1 VAL 2 2HG1 VAL 2 -2.333 -3.570 4.835 17 3HG1 VAL 2 3HG1 VAL 2 -1.323 -4.946 4.391 18 1HG2 VAL 2 1HG2 VAL 2 -1.404 -5.556 1.777 19 2HG2 VAL 2 2HG2 VAL 2 -1.884 -4.265 0.676 20 3HG2 VAL 2 3HG2 VAL 2 -3.102 -5.102 1.637 21 H SER 3 H SER 3 -4.276 -2.940 4.548 22 HA SER 3 HA SER 3 -6.313 -4.504 3.427 23 1HB SER 3 2HB SER 3 -5.937 -3.024 5.983 24 2HB SER 3 1HB SER 3 -7.580 -3.511 5.564 25 HG SER 3 HG SER 3 -6.693 -5.193 6.682 26 H THR 4 H THR 4 -5.888 -1.051 3.617 27 HA THR 4 HA THR 4 -8.579 -0.650 2.497 28 HB THR 4 HB THR 4 -6.813 1.543 3.553 29 HG1 THR 4 1HG THR 4 -6.971 0.210 5.287 30 1HG2 THR 4 1HG2 THR 4 -8.756 2.317 2.378 31 2HG2 THR 4 2HG2 THR 4 -8.970 2.594 4.107 32 3HG2 THR 4 3HG2 THR 4 -9.796 1.249 3.320 33 H CYS 5 H CYS 5 -6.084 -1.509 1.061 34 HA CYS 5 HA CYS 5 -5.120 0.638 -0.499 35 1HB CYS 5 2HB CYS 5 -3.925 -1.500 -0.297 36 2HB CYS 5 1HB CYS 5 -5.223 -2.312 -1.165 37 H TYR 6 H TYR 6 -5.520 1.058 -2.760 38 HA TYR 6 HA TYR 6 -8.341 0.616 -3.459 39 1HB TYR 6 2HB TYR 6 -8.076 2.588 -4.941 40 2HB TYR 6 1HB TYR 6 -7.754 2.959 -3.250 41 HD1 TYR 6 1HD TYR 6 -6.350 2.748 -6.599 42 HD2 TYR 6 2HD TYR 6 -5.443 3.364 -2.488 43 HE1 TYR 6 1HE TYR 6 -4.161 3.674 -7.228 44 HE2 TYR 6 2HE TYR 6 -3.252 4.292 -3.105 45 HH TYR 6 HH TYR 6 -2.444 5.115 -6.329 46 H LEU 7 H LEU 7 -5.097 0.722 -4.913 47 HA LEU 7 HA LEU 7 -6.029 -0.441 -7.376 48 1HB LEU 7 2HB LEU 7 -3.683 -0.409 -8.044 49 2HB LEU 7 1HB LEU 7 -4.183 1.141 -7.396 50 HG LEU 7 HG LEU 7 -3.169 0.184 -5.161 51 1HD1 LEU 7 1HD1 LEU 7 -2.384 -1.896 -5.490 52 2HD1 LEU 7 2HD1 LEU 7 -0.988 -1.053 -6.161 53 3HD1 LEU 7 3HD1 LEU 7 -2.239 -1.681 -7.234 54 1HD2 LEU 7 1HD2 LEU 7 -2.117 2.082 -5.791 55 2HD2 LEU 7 2HD2 LEU 7 -1.959 1.567 -7.471 56 3HD2 LEU 7 3HD2 LEU 7 -0.842 0.955 -6.252 57 HA PRO 8 HA PRO 8 -5.582 -4.698 -6.298 58 1HB PRO 8 2HB PRO 8 -5.060 -5.783 -8.724 59 2HB PRO 8 1HB PRO 8 -6.656 -5.166 -8.279 60 1HG PRO 8 2HG PRO 8 -4.502 -3.859 -9.898 61 2HG PRO 8 1HG PRO 8 -6.250 -3.910 -10.195 62 1HD PRO 8 2HD PRO 8 -5.013 -1.759 -9.100 63 2HD PRO 8 1HD PRO 8 -6.682 -2.212 -8.700 64 H LYS 9 H LYS 9 -4.007 -6.634 -7.262 65 HA LYS 9 HA LYS 9 -1.938 -7.563 -7.083 66 1HB LYS 9 2HB LYS 9 -1.424 -4.945 -8.397 67 2HB LYS 9 1HB LYS 9 -0.033 -5.819 -7.773 68 1HG LYS 9 2HG LYS 9 -0.100 -6.636 -9.896 69 2HG LYS 9 1HG LYS 9 -1.120 -7.824 -9.083 70 1HD LYS 9 2HD LYS 9 -3.062 -6.233 -9.721 71 2HD LYS 9 1HD LYS 9 -1.914 -5.563 -10.881 72 1HE LYS 9 2HE LYS 9 -2.911 -7.172 -12.170 73 2HE LYS 9 1HE LYS 9 -1.563 -8.090 -11.503 74 1HZ LYS 9 1HZ LYS 9 -4.411 -8.342 -10.994 75 2HZ LYS 9 2HZ LYS 9 -3.409 -8.512 -9.641 76 3HZ LYS 9 3HZ LYS 9 -3.198 -9.523 -10.981 77 H CYS 10 H CYS 10 -3.109 -6.219 -4.784 78 HA CYS 10 HA CYS 10 -0.635 -5.765 -3.264 79 1HB CYS 10 2HB CYS 10 -2.736 -3.866 -3.745 80 2HB CYS 10 1HB CYS 10 -2.686 -4.251 -2.028 81 H ALA 11 H ALA 11 -0.958 -6.047 -0.893 82 HA ALA 11 HA ALA 11 -1.553 -7.337 0.884 83 1HB ALA 11 1HB ALA 11 -3.743 -7.302 1.448 84 2HB ALA 11 2HB ALA 11 -4.273 -7.886 -0.130 85 3HB ALA 11 3HB ALA 11 -3.839 -6.190 0.082 86 H ALA 12 H ALA 12 -0.103 -8.984 0.133 87 HA ALA 12 HA ALA 12 -1.446 -11.318 -1.062 88 1HB ALA 12 1HB ALA 12 0.592 -10.196 -2.193 89 2HB ALA 12 2HB ALA 12 0.547 -11.954 -2.063 90 3HB ALA 12 3HB ALA 12 1.529 -11.012 -0.941 91 H ALA 13 H ALA 13 0.480 -10.178 1.621 92 HA ALA 13 HA ALA 13 -0.094 -12.672 3.040 93 1HB ALA 13 1HB ALA 13 2.374 -12.261 3.990 94 2HB ALA 13 2HB ALA 13 2.591 -11.645 2.352 95 3HB ALA 13 3HB ALA 13 2.038 -13.300 2.606 96 H ALA 14 H ALA 14 -1.221 -10.009 3.194 97 HA ALA 14 HA ALA 14 -1.887 -8.491 4.752 98 1HB ALA 14 1HB ALA 14 -2.278 -10.599 6.033 99 2HB ALA 14 2HB ALA 14 -1.971 -9.181 7.038 100 3HB ALA 14 3HB ALA 14 -0.696 -10.372 6.781 101 H ASN 15 H ASN 15 0.774 -8.270 3.574 102 HA ASN 15 HA ASN 15 2.353 -7.079 5.726 103 1HB ASN 15 2HB ASN 15 2.937 -8.023 2.959 104 2HB ASN 15 1HB ASN 15 3.944 -6.738 3.619 105 1HD2 ASN 15 1HD2 ASN 15 4.846 -7.176 5.812 106 2HD2 ASN 15 2HD2 ASN 15 5.394 -8.781 6.138 107 H VAL 16 H VAL 16 2.190 -4.985 6.142 108 HA VAL 16 HA VAL 16 0.712 -3.211 4.472 109 HB VAL 16 HB VAL 16 0.755 -2.951 6.914 110 1HG1 VAL 16 1HG1 VAL 16 2.704 -2.079 8.059 111 2HG1 VAL 16 2HG1 VAL 16 3.618 -2.077 6.551 112 3HG1 VAL 16 3HG1 VAL 16 3.100 -3.603 7.267 113 1HG2 VAL 16 1HG2 VAL 16 0.162 -1.022 5.598 114 2HG2 VAL 16 2HG2 VAL 16 1.862 -0.608 5.372 115 3HG2 VAL 16 3HG2 VAL 16 1.134 -0.501 6.975 116 H ALA 17 H ALA 17 4.151 -3.692 5.126 117 HA ALA 17 HA ALA 17 5.154 -1.454 3.789 118 1HB ALA 17 1HB ALA 17 6.339 -4.178 4.273 119 2HB ALA 17 2HB ALA 17 6.632 -2.686 5.168 120 3HB ALA 17 3HB ALA 17 7.237 -2.860 3.520 121 H ALA 18 H ALA 18 4.486 -4.726 2.578 122 HA ALA 18 HA ALA 18 5.403 -4.388 -0.032 123 1HB ALA 18 1HB ALA 18 2.989 -6.051 0.339 124 2HB ALA 18 2HB ALA 18 4.395 -6.465 1.319 125 3HB ALA 18 3HB ALA 18 4.525 -6.433 -0.440 126 H HIS 19 H HIS 19 2.634 -3.069 1.515 127 HA HIS 19 HA HIS 19 1.211 -2.556 -0.958 128 1HB HIS 19 2HB HIS 19 -0.316 -2.967 0.729 129 2HB HIS 19 1HB HIS 19 0.658 -2.165 1.952 130 HD2 HIS 19 2HD HIS 19 -0.501 0.085 2.765 131 HE1 HIS 19 1HE HIS 19 -2.470 1.061 -0.850 132 HE2 HIS 19 2HE HIS 19 -2.201 1.659 1.598 133 H ILE 20 H ILE 20 2.257 -0.427 1.709 134 HA ILE 20 HA ILE 20 2.105 1.946 0.242 135 HB ILE 20 HB ILE 20 2.184 1.881 2.695 136 1HG1 ILE 20 2HG1 ILE 20 4.587 3.495 2.030 137 2HG1 ILE 20 1HG1 ILE 20 3.133 3.824 1.093 138 1HG2 ILE 20 1HG2 ILE 20 4.242 0.167 2.452 139 2HG2 ILE 20 2HG2 ILE 20 3.900 1.083 3.920 140 3HG2 ILE 20 3HG2 ILE 20 5.122 1.659 2.786 141 1HD1 ILE 20 1HD1 ILE 20 2.807 3.669 4.021 142 2HD1 ILE 20 2HD1 ILE 20 2.053 4.745 2.845 143 3HD1 ILE 20 3HD1 ILE 20 3.702 5.050 3.387 144 H THR 21 H THR 21 4.548 -0.501 0.251 145 HA THR 21 HA THR 21 6.859 0.837 -0.371 146 HB THR 21 HB THR 21 6.802 -1.577 -0.116 147 HG1 THR 21 1HG THR 21 7.646 -0.930 -2.742 148 1HG2 THR 21 1HG2 THR 21 5.760 -3.076 -1.479 149 2HG2 THR 21 2HG2 THR 21 5.754 -1.983 -2.863 150 3HG2 THR 21 3HG2 THR 21 4.611 -1.741 -1.543 151 H HIS 22 H HIS 22 4.286 -0.105 -2.633 152 HA HIS 22 HA HIS 22 5.504 1.665 -4.644 153 1HB HIS 22 2HB HIS 22 4.250 0.394 -6.322 154 2HB HIS 22 1HB HIS 22 5.269 -0.672 -5.361 155 HD1 HIS 22 1HD HIS 22 4.105 -2.420 -3.898 156 HD2 HIS 22 2HD HIS 22 1.473 0.077 -5.923 157 HE1 HIS 22 1HE HIS 22 1.839 -3.478 -3.636 158 HE2 HIS 22 2HE HIS 22 0.281 -2.006 -4.959 159 H CYS 23 H CYS 23 2.649 1.027 -2.765 160 HA CYS 23 HA CYS 23 0.985 2.867 -4.236 161 1HB CYS 23 2HB CYS 23 0.621 1.290 -1.697 162 2HB CYS 23 1HB CYS 23 -0.560 2.486 -2.214 163 H TYR 24 H TYR 24 0.496 4.945 -3.727 164 HA TYR 24 HA TYR 24 1.442 6.082 -1.218 165 1HB TYR 24 2HB TYR 24 2.768 6.483 -3.768 166 2HB TYR 24 1HB TYR 24 2.205 8.008 -3.093 167 HD1 TYR 24 1HD TYR 24 2.559 7.664 -0.234 168 HD2 TYR 24 2HD TYR 24 5.057 6.382 -3.429 169 HE1 TYR 24 1HE TYR 24 4.502 7.719 1.272 170 HE2 TYR 24 2HE TYR 24 7.008 6.432 -1.932 171 HH TYR 24 HH TYR 24 6.706 6.791 1.470 172 H LYS 25 H LYS 25 0.108 7.040 -4.387 173 HA LYS 25 HA LYS 25 -2.390 7.826 -3.333 174 1HB LYS 25 2HB LYS 25 -2.123 10.301 -3.766 175 2HB LYS 25 1HB LYS 25 -1.300 9.689 -2.338 176 1HG LYS 25 2HG LYS 25 0.704 9.463 -4.065 177 2HG LYS 25 1HG LYS 25 -0.186 10.762 -4.862 178 1HD LYS 25 2HD LYS 25 0.205 12.248 -3.177 179 2HD LYS 25 1HD LYS 25 0.252 10.995 -1.936 180 1HE LYS 25 2HE LYS 25 2.435 10.323 -3.351 181 2HE LYS 25 1HE LYS 25 2.411 12.061 -3.649 182 1HZ LYS 25 1HZ LYS 25 2.023 12.055 -1.041 183 2HZ LYS 25 2HZ LYS 25 3.569 12.053 -1.724 184 3HZ LYS 25 3HZ LYS 25 2.889 10.607 -1.168 Start of MODEL 7 1 1H PHE 1 1HT PHE 1 -2.798 2.687 4.862 2 2H PHE 1 2HT PHE 1 -3.619 2.155 3.452 3 3H PHE 1 3HT PHE 1 -1.905 2.106 3.520 4 HA PHE 1 HA PHE 1 -1.883 0.395 5.027 5 1HB PHE 1 2HB PHE 1 -4.603 1.414 5.575 6 2HB PHE 1 1HB PHE 1 -4.412 -0.331 5.710 7 HD1 PHE 1 1HD PHE 1 -2.107 -0.972 6.996 8 HD2 PHE 1 2HD PHE 1 -4.380 2.587 7.521 9 HE1 PHE 1 1HE PHE 1 -1.145 -0.695 9.244 10 HE2 PHE 1 2HE PHE 1 -3.422 2.871 9.770 11 HZ PHE 1 HZ PHE 1 -1.803 1.230 10.634 12 H VAL 2 H VAL 2 -1.846 -1.650 4.242 13 HA VAL 2 HA VAL 2 -2.570 -2.160 1.593 14 HB VAL 2 HB VAL 2 -0.824 -3.422 2.781 15 1HG1 VAL 2 1HG1 VAL 2 -2.949 -5.061 4.107 16 2HG1 VAL 2 2HG1 VAL 2 -2.303 -3.618 4.888 17 3HG1 VAL 2 3HG1 VAL 2 -1.228 -4.954 4.477 18 1HG2 VAL 2 1HG2 VAL 2 -2.449 -4.325 0.827 19 2HG2 VAL 2 2HG2 VAL 2 -2.677 -5.588 2.037 20 3HG2 VAL 2 3HG2 VAL 2 -1.059 -5.220 1.439 21 H SER 3 H SER 3 -4.194 -3.018 4.621 22 HA SER 3 HA SER 3 -6.228 -4.606 3.544 23 1HB SER 3 2HB SER 3 -5.545 -4.078 6.037 24 2HB SER 3 1HB SER 3 -6.790 -2.837 5.893 25 HG SER 3 HG SER 3 -7.043 -5.546 6.114 26 H THR 4 H THR 4 -5.835 -1.147 3.654 27 HA THR 4 HA THR 4 -8.531 -0.808 2.522 28 HB THR 4 HB THR 4 -6.794 1.365 3.690 29 HG1 THR 4 1HG THR 4 -7.184 0.327 5.488 30 1HG2 THR 4 1HG2 THR 4 -8.494 2.372 2.442 31 2HG2 THR 4 2HG2 THR 4 -9.075 2.392 4.107 32 3HG2 THR 4 3HG2 THR 4 -9.697 1.195 2.971 33 H CYS 5 H CYS 5 -6.050 -1.630 1.095 34 HA CYS 5 HA CYS 5 -5.065 0.529 -0.434 35 1HB CYS 5 2HB CYS 5 -3.875 -1.609 -0.259 36 2HB CYS 5 1HB CYS 5 -5.179 -2.416 -1.122 37 H TYR 6 H TYR 6 -5.449 0.979 -2.692 38 HA TYR 6 HA TYR 6 -8.274 0.595 -3.398 39 1HB TYR 6 2HB TYR 6 -7.914 2.540 -4.926 40 2HB TYR 6 1HB TYR 6 -7.661 2.918 -3.225 41 HD1 TYR 6 1HD TYR 6 -6.115 2.652 -6.506 42 HD2 TYR 6 2HD TYR 6 -5.380 3.285 -2.364 43 HE1 TYR 6 1HE TYR 6 -3.882 3.532 -7.042 44 HE2 TYR 6 2HE TYR 6 -3.146 4.169 -2.889 45 HH TYR 6 HH TYR 6 -1.741 3.881 -6.006 46 H LEU 7 H LEU 7 -5.025 0.580 -4.847 47 HA LEU 7 HA LEU 7 -6.004 -0.592 -7.295 48 1HB LEU 7 2HB LEU 7 -3.666 -0.597 -7.989 49 2HB LEU 7 1HB LEU 7 -4.142 0.969 -7.363 50 HG LEU 7 HG LEU 7 -3.114 0.039 -5.123 51 1HD1 LEU 7 1HD1 LEU 7 -2.369 -2.063 -5.441 52 2HD1 LEU 7 2HD1 LEU 7 -0.957 -1.238 -6.103 53 3HD1 LEU 7 3HD1 LEU 7 -2.205 -1.857 -7.185 54 1HD2 LEU 7 1HD2 LEU 7 -1.914 1.369 -7.470 55 2HD2 LEU 7 2HD2 LEU 7 -0.792 0.770 -6.248 56 3HD2 LEU 7 3HD2 LEU 7 -2.054 1.918 -5.799 57 HA PRO 8 HA PRO 8 -5.589 -4.833 -6.152 58 1HB PRO 8 2HB PRO 8 -5.106 -5.966 -8.564 59 2HB PRO 8 1HB PRO 8 -6.689 -5.322 -8.114 60 1HG PRO 8 2HG PRO 8 -4.537 -4.068 -9.776 61 2HG PRO 8 1HG PRO 8 -6.288 -4.103 -10.054 62 1HD PRO 8 2HD PRO 8 -5.011 -1.950 -9.008 63 2HD PRO 8 1HD PRO 8 -6.683 -2.374 -8.586 64 H LYS 9 H LYS 9 -4.044 -6.802 -7.100 65 HA LYS 9 HA LYS 9 -1.984 -7.751 -6.928 66 1HB LYS 9 2HB LYS 9 -1.507 -5.199 -8.347 67 2HB LYS 9 1HB LYS 9 -0.086 -5.963 -7.648 68 1HG LYS 9 2HG LYS 9 -0.413 -6.615 -9.974 69 2HG LYS 9 1HG LYS 9 -0.543 -7.999 -8.889 70 1HD LYS 9 2HD LYS 9 -3.099 -7.410 -8.951 71 2HD LYS 9 1HD LYS 9 -2.663 -6.606 -10.460 72 1HE LYS 9 2HE LYS 9 -1.402 -8.985 -10.761 73 2HE LYS 9 1HE LYS 9 -2.802 -9.472 -9.806 74 1HZ LYS 9 1HZ LYS 9 -2.893 -7.974 -12.370 75 2HZ LYS 9 2HZ LYS 9 -4.238 -8.435 -11.453 76 3HZ LYS 9 3HZ LYS 9 -3.259 -9.614 -12.170 77 H CYS 10 H CYS 10 -3.119 -6.342 -4.642 78 HA CYS 10 HA CYS 10 -0.623 -5.889 -3.156 79 1HB CYS 10 2HB CYS 10 -2.716 -3.986 -3.641 80 2HB CYS 10 1HB CYS 10 -2.657 -4.350 -1.921 81 H ALA 11 H ALA 11 -1.085 -5.964 -0.712 82 HA ALA 11 HA ALA 11 -1.689 -7.204 1.098 83 1HB ALA 11 1HB ALA 11 -4.297 -8.004 -0.034 84 2HB ALA 11 2HB ALA 11 -3.997 -6.271 0.099 85 3HB ALA 11 3HB ALA 11 -3.907 -7.294 1.532 86 H ALA 12 H ALA 12 -0.181 -8.517 -0.847 87 HA ALA 12 HA ALA 12 -1.226 -11.031 -1.596 88 1HB ALA 12 1HB ALA 12 0.854 -11.492 -2.447 89 2HB ALA 12 2HB ALA 12 1.694 -10.674 -1.129 90 3HB ALA 12 3HB ALA 12 0.907 -9.729 -2.394 91 H ALA 13 H ALA 13 0.311 -9.865 1.315 92 HA ALA 13 HA ALA 13 -0.350 -12.374 2.642 93 1HB ALA 13 1HB ALA 13 2.352 -11.311 3.251 94 2HB ALA 13 2HB ALA 13 2.142 -12.211 1.748 95 3HB ALA 13 3HB ALA 13 1.749 -12.967 3.292 96 H ALA 14 H ALA 14 -1.377 -9.643 2.721 97 HA ALA 14 HA ALA 14 -2.105 -8.110 4.236 98 1HB ALA 14 1HB ALA 14 -1.517 -10.500 5.897 99 2HB ALA 14 2HB ALA 14 -3.039 -9.650 5.634 100 3HB ALA 14 3HB ALA 14 -1.830 -8.974 6.725 101 H ASN 15 H ASN 15 0.659 -8.008 3.318 102 HA ASN 15 HA ASN 15 2.111 -6.970 5.630 103 1HB ASN 15 2HB ASN 15 2.856 -7.815 2.870 104 2HB ASN 15 1HB ASN 15 3.864 -6.604 3.658 105 1HD2 ASN 15 1HD2 ASN 15 5.510 -7.378 4.740 106 2HD2 ASN 15 2HD2 ASN 15 5.611 -8.939 5.474 107 H VAL 16 H VAL 16 2.038 -4.890 6.133 108 HA VAL 16 HA VAL 16 0.711 -2.968 4.533 109 HB VAL 16 HB VAL 16 0.801 -2.797 6.983 110 1HG1 VAL 16 1HG1 VAL 16 3.638 -1.854 6.771 111 2HG1 VAL 16 2HG1 VAL 16 3.258 -3.556 7.034 112 3HG1 VAL 16 3HG1 VAL 16 2.734 -2.344 8.203 113 1HG2 VAL 16 1HG2 VAL 16 0.280 -0.789 5.804 114 2HG2 VAL 16 2HG2 VAL 16 1.982 -0.485 5.455 115 3HG2 VAL 16 3HG2 VAL 16 1.386 -0.366 7.111 116 H ALA 17 H ALA 17 4.142 -3.548 5.234 117 HA ALA 17 HA ALA 17 5.199 -1.361 3.856 118 1HB ALA 17 1HB ALA 17 6.734 -3.886 3.758 119 2HB ALA 17 2HB ALA 17 6.280 -3.297 5.357 120 3HB ALA 17 3HB ALA 17 7.229 -2.276 4.278 121 H ALA 18 H ALA 18 4.545 -4.665 2.724 122 HA ALA 18 HA ALA 18 5.492 -4.376 0.113 123 1HB ALA 18 1HB ALA 18 3.866 -6.248 -0.406 124 2HB ALA 18 2HB ALA 18 3.368 -6.152 1.283 125 3HB ALA 18 3HB ALA 18 5.036 -6.559 0.877 126 H HIS 19 H HIS 19 2.689 -3.066 1.605 127 HA HIS 19 HA HIS 19 1.280 -2.639 -0.893 128 1HB HIS 19 2HB HIS 19 -0.269 -3.028 0.771 129 2HB HIS 19 1HB HIS 19 0.690 -2.219 2.002 130 HD2 HIS 19 2HD HIS 19 -0.463 0.046 2.788 131 HE1 HIS 19 1HE HIS 19 -2.440 0.974 -0.838 132 HE2 HIS 19 2HE HIS 19 -2.170 1.601 1.605 133 H ILE 20 H ILE 20 2.293 -0.446 1.735 134 HA ILE 20 HA ILE 20 2.101 1.900 0.221 135 HB ILE 20 HB ILE 20 2.168 1.893 2.671 136 1HG1 ILE 20 2HG1 ILE 20 4.563 3.516 2.040 137 2HG1 ILE 20 1HG1 ILE 20 3.157 3.796 1.017 138 1HG2 ILE 20 1HG2 ILE 20 4.760 0.616 2.195 139 2HG2 ILE 20 2HG2 ILE 20 3.680 0.515 3.585 140 3HG2 ILE 20 3HG2 ILE 20 4.785 1.879 3.426 141 1HD1 ILE 20 1HD1 ILE 20 2.342 3.715 3.753 142 2HD1 ILE 20 2HD1 ILE 20 2.220 5.033 2.588 143 3HD1 ILE 20 3HD1 ILE 20 3.681 4.847 3.560 144 H THR 21 H THR 21 4.582 -0.510 0.289 145 HA THR 21 HA THR 21 6.875 0.850 -0.352 146 HB THR 21 HB THR 21 6.857 -1.558 -0.050 147 HG1 THR 21 1HG THR 21 8.575 -0.819 -1.259 148 1HG2 THR 21 1HG2 THR 21 5.831 -3.101 -1.372 149 2HG2 THR 21 2HG2 THR 21 5.816 -2.045 -2.785 150 3HG2 THR 21 3HG2 THR 21 4.666 -1.780 -1.473 151 H HIS 22 H HIS 22 4.322 -0.172 -2.601 152 HA HIS 22 HA HIS 22 5.525 1.564 -4.648 153 1HB HIS 22 2HB HIS 22 4.276 0.249 -6.296 154 2HB HIS 22 1HB HIS 22 5.304 -0.789 -5.314 155 HD1 HIS 22 1HD HIS 22 4.146 -2.491 -3.781 156 HD2 HIS 22 2HD HIS 22 1.507 -0.094 -5.915 157 HE1 HIS 22 1HE HIS 22 1.888 -3.561 -3.500 158 HE2 HIS 22 2HE HIS 22 0.326 -2.151 -4.884 159 H CYS 23 H CYS 23 2.675 0.947 -2.754 160 HA CYS 23 HA CYS 23 1.001 2.752 -4.259 161 1HB CYS 23 2HB CYS 23 0.636 1.223 -1.689 162 2HB CYS 23 1HB CYS 23 -0.555 2.388 -2.252 163 H TYR 24 H TYR 24 0.599 4.851 -3.850 164 HA TYR 24 HA TYR 24 1.542 6.025 -1.340 165 1HB TYR 24 2HB TYR 24 2.541 6.662 -4.075 166 2HB TYR 24 1HB TYR 24 2.331 7.997 -2.947 167 HD1 TYR 24 1HD TYR 24 3.285 7.313 -0.464 168 HD2 TYR 24 2HD TYR 24 4.679 5.831 -4.200 169 HE1 TYR 24 1HE TYR 24 5.458 6.790 0.561 170 HE2 TYR 24 2HE TYR 24 6.855 5.303 -3.187 171 HH TYR 24 HH TYR 24 8.209 6.101 -1.213 172 H LYS 25 H LYS 25 0.013 6.825 -4.462 173 HA LYS 25 HA LYS 25 -2.437 7.604 -3.328 174 1HB LYS 25 2HB LYS 25 -2.306 10.047 -3.685 175 2HB LYS 25 1HB LYS 25 -1.219 9.491 -2.420 176 1HG LYS 25 2HG LYS 25 0.581 9.455 -4.234 177 2HG LYS 25 1HG LYS 25 -0.550 10.416 -5.189 178 1HD LYS 25 2HD LYS 25 0.538 12.129 -4.176 179 2HD LYS 25 1HD LYS 25 -0.636 11.801 -2.901 180 1HE LYS 25 2HE LYS 25 1.923 10.287 -2.880 181 2HE LYS 25 1HE LYS 25 1.958 11.984 -2.402 182 1HZ LYS 25 1HZ LYS 25 0.353 9.812 -1.174 183 2HZ LYS 25 2HZ LYS 25 0.158 11.449 -0.797 184 3HZ LYS 25 3HZ LYS 25 1.624 10.673 -0.463 Start of MODEL 8 1 1H PHE 1 1HT PHE 1 -2.243 2.206 5.268 2 2H PHE 1 2HT PHE 1 -3.389 2.007 4.006 3 3H PHE 1 3HT PHE 1 -1.723 1.728 3.705 4 HA PHE 1 HA PHE 1 -1.722 -0.117 5.177 5 1HB PHE 1 2HB PHE 1 -4.563 0.789 5.606 6 2HB PHE 1 1HB PHE 1 -4.066 -0.862 5.958 7 HD1 PHE 1 1HD PHE 1 -4.797 2.033 7.510 8 HD2 PHE 1 2HD PHE 1 -1.582 -0.744 7.251 9 HE1 PHE 1 1HE PHE 1 -4.005 2.750 9.726 10 HE2 PHE 1 2HE PHE 1 -0.785 -0.032 9.468 11 HZ PHE 1 HZ PHE 1 -1.997 1.716 10.708 12 H VAL 2 H VAL 2 -1.733 -2.002 4.088 13 HA VAL 2 HA VAL 2 -2.503 -2.126 1.407 14 HB VAL 2 HB VAL 2 -0.788 -3.593 2.391 15 1HG1 VAL 2 1HG1 VAL 2 -1.408 -5.545 3.696 16 2HG1 VAL 2 2HG1 VAL 2 -3.104 -5.066 3.642 17 3HG1 VAL 2 3HG1 VAL 2 -1.935 -4.071 4.508 18 1HG2 VAL 2 1HG2 VAL 2 -1.255 -4.578 0.426 19 2HG2 VAL 2 2HG2 VAL 2 -2.996 -4.534 0.702 20 3HG2 VAL 2 3HG2 VAL 2 -2.021 -5.814 1.423 21 H SER 3 H SER 3 -4.224 -2.987 4.331 22 HA SER 3 HA SER 3 -6.284 -4.509 3.152 23 1HB SER 3 2HB SER 3 -5.908 -3.090 5.749 24 2HB SER 3 1HB SER 3 -7.544 -3.573 5.301 25 HG SER 3 HG SER 3 -7.027 -5.524 5.842 26 H THR 4 H THR 4 -5.762 -1.076 3.459 27 HA THR 4 HA THR 4 -8.427 -0.561 2.327 28 HB THR 4 HB THR 4 -6.599 1.538 3.469 29 HG1 THR 4 1HG THR 4 -6.899 -0.009 5.088 30 1HG2 THR 4 1HG2 THR 4 -9.556 1.357 3.013 31 2HG2 THR 4 2HG2 THR 4 -8.413 2.541 2.377 32 3HG2 THR 4 3HG2 THR 4 -8.829 2.549 4.091 33 H CYS 5 H CYS 5 -5.940 -1.450 0.890 34 HA CYS 5 HA CYS 5 -4.905 0.711 -0.602 35 1HB CYS 5 2HB CYS 5 -3.768 -1.462 -0.449 36 2HB CYS 5 1HB CYS 5 -5.080 -2.216 -1.346 37 H TYR 6 H TYR 6 -5.268 1.195 -2.861 38 HA TYR 6 HA TYR 6 -8.106 1.008 -3.536 39 1HB TYR 6 2HB TYR 6 -7.683 2.829 -5.097 40 2HB TYR 6 1HB TYR 6 -7.058 3.242 -3.503 41 HD1 TYR 6 1HD TYR 6 -6.166 2.375 -6.954 42 HD2 TYR 6 2HD TYR 6 -4.680 3.469 -3.121 43 HE1 TYR 6 1HE TYR 6 -3.970 2.854 -7.949 44 HE2 TYR 6 2HE TYR 6 -2.479 3.952 -4.106 45 HH TYR 6 HH TYR 6 -1.169 3.404 -6.047 46 H LEU 7 H LEU 7 -4.921 0.224 -4.826 47 HA LEU 7 HA LEU 7 -6.151 -0.993 -7.186 48 1HB LEU 7 2HB LEU 7 -3.964 -1.092 -8.132 49 2HB LEU 7 1HB LEU 7 -4.177 0.504 -7.438 50 HG LEU 7 HG LEU 7 -3.003 -0.867 -5.369 51 1HD1 LEU 7 1HD1 LEU 7 -1.662 -2.513 -6.048 52 2HD1 LEU 7 2HD1 LEU 7 -1.126 -1.608 -7.463 53 3HD1 LEU 7 3HD1 LEU 7 -2.625 -2.534 -7.525 54 1HD2 LEU 7 1HD2 LEU 7 -2.105 1.185 -5.670 55 2HD2 LEU 7 2HD2 LEU 7 -2.137 1.063 -7.429 56 3HD2 LEU 7 3HD2 LEU 7 -0.859 0.265 -6.513 57 HA PRO 8 HA PRO 8 -5.818 -5.049 -5.442 58 1HB PRO 8 2HB PRO 8 -5.986 -6.536 -7.685 59 2HB PRO 8 1HB PRO 8 -7.372 -5.649 -7.039 60 1HG PRO 8 2HG PRO 8 -5.526 -4.909 -9.278 61 2HG PRO 8 1HG PRO 8 -7.292 -4.771 -9.191 62 1HD PRO 8 2HD PRO 8 -5.610 -2.670 -8.772 63 2HD PRO 8 1HD PRO 8 -7.203 -2.806 -8.002 64 H LYS 9 H LYS 9 -4.625 -7.229 -6.106 65 HA LYS 9 HA LYS 9 -2.640 -8.336 -6.186 66 1HB LYS 9 2HB LYS 9 -2.353 -6.261 -8.308 67 2HB LYS 9 1HB LYS 9 -0.924 -7.174 -7.845 68 1HG LYS 9 2HG LYS 9 -1.845 -9.200 -8.551 69 2HG LYS 9 1HG LYS 9 -3.483 -8.547 -8.583 70 1HD LYS 9 2HD LYS 9 -3.159 -7.472 -10.588 71 2HD LYS 9 1HD LYS 9 -1.417 -7.328 -10.351 72 1HE LYS 9 2HE LYS 9 -0.993 -9.389 -11.199 73 2HE LYS 9 1HE LYS 9 -2.502 -10.068 -10.589 74 1HZ LYS 9 1HZ LYS 9 -2.571 -9.980 -12.969 75 2HZ LYS 9 2HZ LYS 9 -2.182 -8.334 -12.978 76 3HZ LYS 9 3HZ LYS 9 -3.671 -8.847 -12.360 77 H CYS 10 H CYS 10 -3.036 -6.256 -4.188 78 HA CYS 10 HA CYS 10 -0.235 -5.466 -3.722 79 1HB CYS 10 2HB CYS 10 -2.396 -3.800 -3.863 80 2HB CYS 10 1HB CYS 10 -2.310 -4.109 -2.133 81 H ALA 11 H ALA 11 -3.160 -6.786 -2.266 82 HA ALA 11 HA ALA 11 -1.734 -7.378 0.210 83 1HB ALA 11 1HB ALA 11 -3.899 -8.044 1.090 84 2HB ALA 11 2HB ALA 11 -4.625 -7.854 -0.506 85 3HB ALA 11 3HB ALA 11 -3.999 -6.445 0.352 86 H ALA 12 H ALA 12 -0.377 -9.066 -0.155 87 HA ALA 12 HA ALA 12 -1.535 -11.517 -1.305 88 1HB ALA 12 1HB ALA 12 0.483 -10.431 -2.414 89 2HB ALA 12 2HB ALA 12 0.601 -12.152 -2.046 90 3HB ALA 12 3HB ALA 12 1.405 -10.971 -1.011 91 H ALA 13 H ALA 13 0.147 -10.154 1.438 92 HA ALA 13 HA ALA 13 -0.497 -12.535 2.989 93 1HB ALA 13 1HB ALA 13 1.951 -12.184 3.984 94 2HB ALA 13 2HB ALA 13 2.252 -11.655 2.329 95 3HB ALA 13 3HB ALA 13 1.621 -13.273 2.637 96 H ALA 14 H ALA 14 -1.467 -9.785 2.895 97 HA ALA 14 HA ALA 14 -2.096 -8.123 4.316 98 1HB ALA 14 1HB ALA 14 -2.509 -10.271 5.710 99 2HB ALA 14 2HB ALA 14 -2.540 -8.701 6.513 100 3HB ALA 14 3HB ALA 14 -1.113 -9.728 6.639 101 H ASN 15 H ASN 15 0.628 -8.162 3.265 102 HA ASN 15 HA ASN 15 2.266 -7.056 5.392 103 1HB ASN 15 2HB ASN 15 2.718 -7.867 2.557 104 2HB ASN 15 1HB ASN 15 3.809 -6.677 3.261 105 1HD2 ASN 15 1HD2 ASN 15 4.059 -9.572 2.428 106 2HD2 ASN 15 2HD2 ASN 15 4.798 -10.338 3.788 107 H VAL 16 H VAL 16 2.061 -5.002 5.960 108 HA VAL 16 HA VAL 16 0.693 -3.077 4.376 109 HB VAL 16 HB VAL 16 0.693 -2.976 6.831 110 1HG1 VAL 16 1HG1 VAL 16 3.495 -1.925 6.775 111 2HG1 VAL 16 2HG1 VAL 16 3.188 -3.656 6.916 112 3HG1 VAL 16 3HG1 VAL 16 2.561 -2.547 8.136 113 1HG2 VAL 16 1HG2 VAL 16 0.622 -0.681 6.962 114 2HG2 VAL 16 2HG2 VAL 16 0.538 -0.919 5.217 115 3HG2 VAL 16 3HG2 VAL 16 2.067 -0.470 5.973 116 H ALA 17 H ALA 17 4.112 -3.627 5.138 117 HA ALA 17 HA ALA 17 5.174 -1.360 3.904 118 1HB ALA 17 1HB ALA 17 6.232 -3.404 5.305 119 2HB ALA 17 2HB ALA 17 7.191 -2.266 4.358 120 3HB ALA 17 3HB ALA 17 6.760 -3.835 3.678 121 H ALA 18 H ALA 18 4.568 -4.598 2.572 122 HA ALA 18 HA ALA 18 5.577 -4.157 0.006 123 1HB ALA 18 1HB ALA 18 3.388 -5.989 0.964 124 2HB ALA 18 2HB ALA 18 5.087 -6.382 0.704 125 3HB ALA 18 3HB ALA 18 4.045 -6.020 -0.673 126 H HIS 19 H HIS 19 2.739 -2.937 1.502 127 HA HIS 19 HA HIS 19 1.394 -2.369 -1.007 128 1HB HIS 19 2HB HIS 19 -0.194 -2.880 0.593 129 2HB HIS 19 1HB HIS 19 0.714 -2.120 1.892 130 HD2 HIS 19 2HD HIS 19 -0.500 0.083 2.754 131 HE1 HIS 19 1HE HIS 19 -2.372 1.171 -0.882 132 HE2 HIS 19 2HE HIS 19 -2.190 1.673 1.597 133 H ILE 20 H ILE 20 2.300 -0.338 1.786 134 HA ILE 20 HA ILE 20 2.141 2.096 0.419 135 HB ILE 20 HB ILE 20 2.144 1.922 2.869 136 1HG1 ILE 20 2HG1 ILE 20 4.526 3.618 2.356 137 2HG1 ILE 20 1HG1 ILE 20 3.097 3.955 1.384 138 1HG2 ILE 20 1HG2 ILE 20 4.244 0.266 2.620 139 2HG2 ILE 20 2HG2 ILE 20 3.841 1.112 4.114 140 3HG2 ILE 20 3HG2 ILE 20 5.082 1.760 3.041 141 1HD1 ILE 20 1HD1 ILE 20 2.605 3.651 4.260 142 2HD1 ILE 20 2HD1 ILE 20 1.977 4.834 3.114 143 3HD1 ILE 20 3HD1 ILE 20 3.590 5.040 3.800 144 H THR 21 H THR 21 4.607 -0.312 0.351 145 HA THR 21 HA THR 21 6.922 1.091 -0.112 146 HB THR 21 HB THR 21 6.912 -1.327 0.009 147 HG1 THR 21 1HG THR 21 7.774 -0.539 -2.571 148 1HG2 THR 21 1HG2 THR 21 5.894 -2.774 -1.415 149 2HG2 THR 21 2HG2 THR 21 5.917 -1.640 -2.765 150 3HG2 THR 21 3HG2 THR 21 4.740 -1.443 -1.468 151 H HIS 22 H HIS 22 4.435 0.237 -2.505 152 HA HIS 22 HA HIS 22 5.683 2.139 -4.371 153 1HB HIS 22 2HB HIS 22 4.533 0.939 -6.164 154 2HB HIS 22 1HB HIS 22 5.519 -0.168 -5.215 155 HD1 HIS 22 1HD HIS 22 4.349 -2.110 -4.120 156 HD2 HIS 22 2HD HIS 22 1.706 0.683 -5.694 157 HE1 HIS 22 1HE HIS 22 2.076 -3.175 -3.966 158 HE2 HIS 22 2HE HIS 22 0.507 -1.505 -5.014 159 H CYS 23 H CYS 23 2.763 1.312 -2.665 160 HA CYS 23 HA CYS 23 1.102 3.185 -4.081 161 1HB CYS 23 2HB CYS 23 0.728 1.486 -1.627 162 2HB CYS 23 1HB CYS 23 -0.464 2.694 -2.086 163 H TYR 24 H TYR 24 1.525 5.290 -3.885 164 HA TYR 24 HA TYR 24 2.584 6.387 -1.424 165 1HB TYR 24 2HB TYR 24 2.102 7.417 -4.186 166 2HB TYR 24 1HB TYR 24 2.237 8.578 -2.869 167 HD1 TYR 24 1HD TYR 24 4.065 5.378 -3.438 168 HD2 TYR 24 2HD TYR 24 4.298 9.616 -3.155 169 HE1 TYR 24 1HE TYR 24 6.517 5.248 -3.585 170 HE2 TYR 24 2HE TYR 24 6.750 9.498 -3.302 171 HH TYR 24 HH TYR 24 8.543 7.937 -2.935 172 H LYS 25 H LYS 25 -0.130 7.421 -3.497 173 HA LYS 25 HA LYS 25 -1.507 8.395 -1.107 174 1HB LYS 25 2HB LYS 25 -2.304 8.806 -3.990 175 2HB LYS 25 1HB LYS 25 -2.879 9.694 -2.585 176 1HG LYS 25 2HG LYS 25 0.033 9.739 -3.142 177 2HG LYS 25 1HG LYS 25 -1.029 10.662 -4.208 178 1HD LYS 25 2HD LYS 25 -0.361 12.148 -2.490 179 2HD LYS 25 1HD LYS 25 -2.025 11.686 -2.122 180 1HE LYS 25 2HE LYS 25 0.089 9.996 -0.943 181 2HE LYS 25 1HE LYS 25 -0.029 11.641 -0.318 182 1HZ LYS 25 1HZ LYS 25 -2.533 10.188 -0.573 183 2HZ LYS 25 2HZ LYS 25 -2.003 11.226 0.653 184 3HZ LYS 25 3HZ LYS 25 -1.470 9.620 0.615 Start of MODEL 9 1 1H PHE 1 1HT PHE 1 -1.677 1.958 3.433 2 2H PHE 1 2HT PHE 1 -2.681 2.780 4.557 3 3H PHE 1 3HT PHE 1 -3.340 2.189 3.086 4 HA PHE 1 HA PHE 1 -2.096 0.435 5.079 5 1HB PHE 1 2HB PHE 1 -4.279 2.011 5.597 6 2HB PHE 1 1HB PHE 1 -5.036 0.555 4.959 7 HD1 PHE 1 1HD PHE 1 -4.691 1.972 7.871 8 HD2 PHE 1 2HD PHE 1 -3.256 -1.546 5.955 9 HE1 PHE 1 1HE PHE 1 -4.437 0.887 10.064 10 HE2 PHE 1 2HE PHE 1 -3.000 -2.638 8.144 11 HZ PHE 1 HZ PHE 1 -3.591 -1.422 10.203 12 H VAL 2 H VAL 2 -1.878 -1.541 4.260 13 HA VAL 2 HA VAL 2 -2.552 -2.220 1.636 14 HB VAL 2 HB VAL 2 -0.792 -3.370 2.909 15 1HG1 VAL 2 1HG1 VAL 2 -1.296 -5.011 4.591 16 2HG1 VAL 2 2HG1 VAL 2 -3.029 -4.757 4.378 17 3HG1 VAL 2 3HG1 VAL 2 -2.027 -3.475 5.058 18 1HG2 VAL 2 1HG2 VAL 2 -2.346 -4.423 0.992 19 2HG2 VAL 2 2HG2 VAL 2 -2.618 -5.604 2.274 20 3HG2 VAL 2 3HG2 VAL 2 -0.980 -5.279 1.708 21 H SER 3 H SER 3 -4.335 -2.568 4.620 22 HA SER 3 HA SER 3 -6.292 -4.378 3.604 23 1HB SER 3 2HB SER 3 -6.202 -2.592 6.035 24 2HB SER 3 1HB SER 3 -7.592 -3.609 5.661 25 HG SER 3 HG SER 3 -6.076 -5.398 5.639 26 H THR 4 H THR 4 -5.914 -0.914 3.626 27 HA THR 4 HA THR 4 -8.599 -0.610 2.463 28 HB THR 4 HB THR 4 -6.922 1.695 3.399 29 HG1 THR 4 1HG THR 4 -8.430 -0.079 5.001 30 1HG2 THR 4 1HG2 THR 4 -9.289 1.754 2.215 31 2HG2 THR 4 2HG2 THR 4 -8.836 2.895 3.481 32 3HG2 THR 4 3HG2 THR 4 -9.833 1.494 3.872 33 H CYS 5 H CYS 5 -6.077 -1.484 1.095 34 HA CYS 5 HA CYS 5 -5.121 0.612 -0.537 35 1HB CYS 5 2HB CYS 5 -3.894 -1.492 -0.240 36 2HB CYS 5 1HB CYS 5 -5.175 -2.366 -1.072 37 H TYR 6 H TYR 6 -5.649 1.223 -2.632 38 HA TYR 6 HA TYR 6 -8.403 0.640 -3.397 39 1HB TYR 6 2HB TYR 6 -8.112 2.546 -4.970 40 2HB TYR 6 1HB TYR 6 -7.819 2.983 -3.290 41 HD1 TYR 6 1HD TYR 6 -6.305 2.514 -6.587 42 HD2 TYR 6 2HD TYR 6 -5.576 3.540 -2.523 43 HE1 TYR 6 1HE TYR 6 -4.104 3.412 -7.214 44 HE2 TYR 6 2HE TYR 6 -3.373 4.441 -3.139 45 HH TYR 6 HH TYR 6 -1.730 4.258 -4.886 46 H LEU 7 H LEU 7 -5.165 0.682 -4.877 47 HA LEU 7 HA LEU 7 -6.102 -0.564 -7.288 48 1HB LEU 7 2HB LEU 7 -3.728 -0.636 -7.914 49 2HB LEU 7 1HB LEU 7 -4.233 0.960 -7.395 50 HG LEU 7 HG LEU 7 -3.286 0.071 -5.060 51 1HD1 LEU 7 1HD1 LEU 7 -1.027 -1.061 -5.934 52 2HD1 LEU 7 2HD1 LEU 7 -2.152 -1.710 -7.127 53 3HD1 LEU 7 3HD1 LEU 7 -2.429 -1.991 -5.408 54 1HD2 LEU 7 1HD2 LEU 7 -2.430 1.811 -7.101 55 2HD2 LEU 7 2HD2 LEU 7 -1.014 0.892 -6.595 56 3HD2 LEU 7 3HD2 LEU 7 -1.944 1.803 -5.407 57 HA PRO 8 HA PRO 8 -5.751 -4.774 -5.981 58 1HB PRO 8 2HB PRO 8 -5.490 -6.001 -8.373 59 2HB PRO 8 1HB PRO 8 -7.011 -5.268 -7.848 60 1HG PRO 8 2HG PRO 8 -4.920 -4.179 -9.693 61 2HG PRO 8 1HG PRO 8 -6.685 -4.143 -9.858 62 1HD PRO 8 2HD PRO 8 -5.234 -2.019 -8.973 63 2HD PRO 8 1HD PRO 8 -6.903 -2.333 -8.457 64 H LYS 9 H LYS 9 -4.333 -6.815 -6.968 65 HA LYS 9 HA LYS 9 -2.292 -7.816 -6.918 66 1HB LYS 9 2HB LYS 9 -2.124 -6.137 -8.941 67 2HB LYS 9 1HB LYS 9 -0.981 -5.311 -7.891 68 1HG LYS 9 2HG LYS 9 0.583 -6.940 -8.075 69 2HG LYS 9 1HG LYS 9 -0.615 -8.225 -8.247 70 1HD LYS 9 2HD LYS 9 -0.535 -6.271 -10.448 71 2HD LYS 9 1HD LYS 9 0.907 -7.275 -10.277 72 1HE LYS 9 2HE LYS 9 -0.680 -8.317 -11.793 73 2HE LYS 9 1HE LYS 9 -0.495 -9.284 -10.331 74 1HZ LYS 9 1HZ LYS 9 -2.773 -9.225 -10.687 75 2HZ LYS 9 2HZ LYS 9 -2.776 -7.598 -11.147 76 3HZ LYS 9 3HZ LYS 9 -2.544 -8.016 -9.525 77 H CYS 10 H CYS 10 -3.207 -6.351 -4.593 78 HA CYS 10 HA CYS 10 -0.594 -5.839 -3.340 79 1HB CYS 10 2HB CYS 10 -2.676 -3.963 -3.704 80 2HB CYS 10 1HB CYS 10 -2.677 -4.380 -1.995 81 H ALA 11 H ALA 11 -0.832 -5.901 -0.859 82 HA ALA 11 HA ALA 11 -1.229 -7.138 1.010 83 1HB ALA 11 1HB ALA 11 -3.880 -8.072 0.101 84 2HB ALA 11 2HB ALA 11 -3.651 -6.327 0.206 85 3HB ALA 11 3HB ALA 11 -3.396 -7.337 1.629 86 H ALA 12 H ALA 12 0.220 -8.411 -0.960 87 HA ALA 12 HA ALA 12 -0.702 -10.929 -1.753 88 1HB ALA 12 1HB ALA 12 1.529 -9.513 -2.248 89 2HB ALA 12 2HB ALA 12 1.367 -11.233 -2.602 90 3HB ALA 12 3HB ALA 12 2.170 -10.710 -1.122 91 H ALA 13 H ALA 13 0.644 -9.820 1.273 92 HA ALA 13 HA ALA 13 -0.026 -12.394 2.478 93 1HB ALA 13 1HB ALA 13 2.164 -12.954 2.350 94 2HB ALA 13 2HB ALA 13 2.257 -11.969 3.810 95 3HB ALA 13 3HB ALA 13 2.701 -11.277 2.249 96 H ALA 14 H ALA 14 -1.182 -9.707 2.547 97 HA ALA 14 HA ALA 14 -2.102 -8.258 4.040 98 1HB ALA 14 1HB ALA 14 -2.400 -10.658 5.146 99 2HB ALA 14 2HB ALA 14 -2.899 -9.176 5.960 100 3HB ALA 14 3HB ALA 14 -1.360 -9.932 6.371 101 H ASN 15 H ASN 15 0.733 -8.024 3.379 102 HA ASN 15 HA ASN 15 1.887 -6.961 5.850 103 1HB ASN 15 2HB ASN 15 2.985 -7.835 3.222 104 2HB ASN 15 1HB ASN 15 3.858 -6.579 4.093 105 1HD2 ASN 15 1HD2 ASN 15 5.285 -7.212 5.541 106 2HD2 ASN 15 2HD2 ASN 15 5.374 -8.781 6.260 107 H VAL 16 H VAL 16 1.933 -4.854 6.278 108 HA VAL 16 HA VAL 16 0.633 -2.974 4.612 109 HB VAL 16 HB VAL 16 0.719 -2.738 7.059 110 1HG1 VAL 16 1HG1 VAL 16 3.551 -1.787 6.818 111 2HG1 VAL 16 2HG1 VAL 16 3.179 -3.482 7.132 112 3HG1 VAL 16 3HG1 VAL 16 2.648 -2.239 8.265 113 1HG2 VAL 16 1HG2 VAL 16 0.142 -0.684 6.352 114 2HG2 VAL 16 2HG2 VAL 16 1.451 -0.611 5.173 115 3HG2 VAL 16 3HG2 VAL 16 1.769 -0.240 6.868 116 H ALA 17 H ALA 17 4.055 -3.570 5.332 117 HA ALA 17 HA ALA 17 5.144 -1.426 3.915 118 1HB ALA 17 1HB ALA 17 6.184 -3.394 5.432 119 2HB ALA 17 2HB ALA 17 7.148 -2.352 4.387 120 3HB ALA 17 3HB ALA 17 6.662 -3.953 3.829 121 H ALA 18 H ALA 18 4.405 -4.727 2.831 122 HA ALA 18 HA ALA 18 5.370 -4.505 0.220 123 1HB ALA 18 1HB ALA 18 3.434 -6.267 -0.173 124 2HB ALA 18 2HB ALA 18 3.409 -6.263 1.590 125 3HB ALA 18 3HB ALA 18 4.893 -6.675 0.731 126 H HIS 19 H HIS 19 2.608 -3.086 1.683 127 HA HIS 19 HA HIS 19 1.219 -2.659 -0.827 128 1HB HIS 19 2HB HIS 19 -0.341 -2.991 0.844 129 2HB HIS 19 1HB HIS 19 0.628 -2.167 2.059 130 HD2 HIS 19 2HD HIS 19 -0.500 0.128 2.785 131 HE1 HIS 19 1HE HIS 19 -2.419 1.015 -0.881 132 HE2 HIS 19 2HE HIS 19 -1.884 1.867 1.446 133 H ILE 20 H ILE 20 2.268 -0.454 1.777 134 HA ILE 20 HA ILE 20 2.153 1.873 0.230 135 HB ILE 20 HB ILE 20 2.211 1.898 2.680 136 1HG1 ILE 20 2HG1 ILE 20 4.650 3.423 1.854 137 2HG1 ILE 20 1HG1 ILE 20 3.108 3.804 1.095 138 1HG2 ILE 20 1HG2 ILE 20 3.676 0.491 3.621 139 2HG2 ILE 20 2HG2 ILE 20 4.824 1.819 3.446 140 3HG2 ILE 20 3HG2 ILE 20 4.763 0.539 2.234 141 1HD1 ILE 20 1HD1 ILE 20 3.346 3.699 4.070 142 2HD1 ILE 20 2HD1 ILE 20 2.182 4.569 3.069 143 3HD1 ILE 20 3HD1 ILE 20 3.851 5.129 3.171 144 H THR 21 H THR 21 4.552 -0.610 0.320 145 HA THR 21 HA THR 21 6.892 0.671 -0.317 146 HB THR 21 HB THR 21 6.807 -1.730 -0.003 147 HG1 THR 21 1HG THR 21 7.641 -1.142 -2.646 148 1HG2 THR 21 1HG2 THR 21 5.716 -3.250 -1.293 149 2HG2 THR 21 2HG2 THR 21 5.734 -2.218 -2.723 150 3HG2 THR 21 3HG2 THR 21 4.598 -1.892 -1.414 151 H HIS 22 H HIS 22 4.326 -0.294 -2.581 152 HA HIS 22 HA HIS 22 5.587 1.410 -4.623 153 1HB HIS 22 2HB HIS 22 4.338 0.115 -6.281 154 2HB HIS 22 1HB HIS 22 5.320 -0.946 -5.277 155 HD1 HIS 22 1HD HIS 22 4.114 -2.699 -3.896 156 HD2 HIS 22 2HD HIS 22 1.531 -0.063 -5.807 157 HE1 HIS 22 1HE HIS 22 1.817 -3.684 -3.614 158 HE2 HIS 22 2HE HIS 22 0.283 -2.120 -4.860 159 H CYS 23 H CYS 23 2.695 0.844 -2.771 160 HA CYS 23 HA CYS 23 1.069 2.667 -4.296 161 1HB CYS 23 2HB CYS 23 0.678 1.176 -1.709 162 2HB CYS 23 1HB CYS 23 -0.485 2.374 -2.263 163 H TYR 24 H TYR 24 1.207 4.798 -4.164 164 HA TYR 24 HA TYR 24 1.919 6.014 -1.582 165 1HB TYR 24 2HB TYR 24 3.172 6.413 -4.248 166 2HB TYR 24 1HB TYR 24 2.956 7.841 -3.242 167 HD1 TYR 24 1HD TYR 24 3.579 7.143 -0.600 168 HD2 TYR 24 2HD TYR 24 5.322 5.602 -4.161 169 HE1 TYR 24 1HE TYR 24 5.618 6.574 0.651 170 HE2 TYR 24 2HE TYR 24 7.365 5.027 -2.920 171 HH TYR 24 HH TYR 24 8.320 6.221 -0.294 172 H LYS 25 H LYS 25 1.592 8.593 -1.985 173 HA LYS 25 HA LYS 25 -1.251 8.824 -2.539 174 1HB LYS 25 2HB LYS 25 -1.075 11.029 -1.516 175 2HB LYS 25 1HB LYS 25 -0.329 9.815 -0.486 176 1HG LYS 25 2HG LYS 25 1.746 10.677 -0.732 177 2HG LYS 25 1HG LYS 25 1.450 11.204 -2.390 178 1HD LYS 25 2HD LYS 25 1.691 13.157 -1.029 179 2HD LYS 25 1HD LYS 25 -0.010 13.013 -1.475 180 1HE LYS 25 2HE LYS 25 -0.347 13.350 0.727 181 2HE LYS 25 1HE LYS 25 0.001 11.625 0.836 182 1HZ LYS 25 1HZ LYS 25 1.498 12.346 2.337 183 2HZ LYS 25 2HZ LYS 25 1.605 13.899 1.675 184 3HZ LYS 25 3HZ LYS 25 2.457 12.619 0.971 Start of MODEL 10 1 1H PHE 1 1HT PHE 1 -2.378 2.404 5.242 2 2H PHE 1 2HT PHE 1 -3.569 2.150 4.032 3 3H PHE 1 3HT PHE 1 -1.911 1.881 3.678 4 HA PHE 1 HA PHE 1 -1.837 0.093 5.231 5 1HB PHE 1 2HB PHE 1 -4.556 1.151 5.806 6 2HB PHE 1 1HB PHE 1 -4.346 -0.595 5.894 7 HD1 PHE 1 1HD PHE 1 -4.412 2.234 7.810 8 HD2 PHE 1 2HD PHE 1 -1.994 -1.207 7.158 9 HE1 PHE 1 1HE PHE 1 -3.476 2.468 10.073 10 HE2 PHE 1 2HE PHE 1 -1.054 -0.980 9.421 11 HZ PHE 1 HZ PHE 1 -1.796 0.859 10.882 12 H VAL 2 H VAL 2 -1.939 -1.897 4.299 13 HA VAL 2 HA VAL 2 -2.652 -2.132 1.604 14 HB VAL 2 HB VAL 2 -0.999 -3.595 2.687 15 1HG1 VAL 2 1HG1 VAL 2 -3.403 -4.788 4.058 16 2HG1 VAL 2 2HG1 VAL 2 -2.036 -3.974 4.818 17 3HG1 VAL 2 3HG1 VAL 2 -1.803 -5.530 4.022 18 1HG2 VAL 2 1HG2 VAL 2 -2.140 -4.253 0.575 19 2HG2 VAL 2 2HG2 VAL 2 -3.275 -5.201 1.535 20 3HG2 VAL 2 3HG2 VAL 2 -1.562 -5.621 1.528 21 H SER 3 H SER 3 -4.462 -2.741 4.529 22 HA SER 3 HA SER 3 -6.539 -4.288 3.405 23 1HB SER 3 2HB SER 3 -6.126 -2.765 5.921 24 2HB SER 3 1HB SER 3 -7.797 -3.102 5.468 25 HG SER 3 HG SER 3 -7.424 -5.239 5.616 26 H THR 4 H THR 4 -5.939 -0.850 3.539 27 HA THR 4 HA THR 4 -8.541 -0.348 2.259 28 HB THR 4 HB THR 4 -6.804 1.859 3.288 29 HG1 THR 4 1HG THR 4 -6.976 1.196 5.253 30 1HG2 THR 4 1HG2 THR 4 -8.906 2.396 2.140 31 2HG2 THR 4 2HG2 THR 4 -8.896 2.921 3.824 32 3HG2 THR 4 3HG2 THR 4 -9.785 1.472 3.358 33 H CYS 5 H CYS 5 -6.084 -1.371 0.950 34 HA CYS 5 HA CYS 5 -4.856 0.680 -0.551 35 1HB CYS 5 2HB CYS 5 -3.843 -1.531 -0.315 36 2HB CYS 5 1HB CYS 5 -5.184 -2.260 -1.190 37 H TYR 6 H TYR 6 -5.096 1.127 -2.831 38 HA TYR 6 HA TYR 6 -7.911 1.091 -3.629 39 1HB TYR 6 2HB TYR 6 -7.242 2.822 -5.266 40 2HB TYR 6 1HB TYR 6 -6.842 3.274 -3.612 41 HD1 TYR 6 1HD TYR 6 -5.518 2.411 -6.898 42 HD2 TYR 6 2HD TYR 6 -4.506 3.315 -2.866 43 HE1 TYR 6 1HE TYR 6 -3.188 2.803 -7.577 44 HE2 TYR 6 2HE TYR 6 -2.173 3.709 -3.534 45 HH TYR 6 HH TYR 6 -0.979 2.854 -6.637 46 H LEU 7 H LEU 7 -4.693 0.340 -4.934 47 HA LEU 7 HA LEU 7 -5.855 -0.889 -7.290 48 1HB LEU 7 2HB LEU 7 -3.594 -1.202 -8.042 49 2HB LEU 7 1HB LEU 7 -3.772 0.431 -7.431 50 HG LEU 7 HG LEU 7 -2.822 -0.619 -5.214 51 1HD1 LEU 7 1HD1 LEU 7 -2.499 -2.835 -5.522 52 2HD1 LEU 7 2HD1 LEU 7 -0.969 -2.281 -6.203 53 3HD1 LEU 7 3HD1 LEU 7 -2.317 -2.679 -7.269 54 1HD2 LEU 7 1HD2 LEU 7 -1.485 1.032 -5.991 55 2HD2 LEU 7 2HD2 LEU 7 -1.500 0.418 -7.645 56 3HD2 LEU 7 3HD2 LEU 7 -0.457 -0.331 -6.436 57 HA PRO 8 HA PRO 8 -5.929 -4.976 -5.589 58 1HB PRO 8 2HB PRO 8 -6.048 -6.431 -7.849 59 2HB PRO 8 1HB PRO 8 -7.398 -5.423 -7.315 60 1HG PRO 8 2HG PRO 8 -5.315 -4.856 -9.389 61 2HG PRO 8 1HG PRO 8 -7.062 -4.556 -9.447 62 1HD PRO 8 2HD PRO 8 -5.219 -2.625 -8.867 63 2HD PRO 8 1HD PRO 8 -6.888 -2.597 -8.267 64 H LYS 9 H LYS 9 -4.853 -7.232 -6.183 65 HA LYS 9 HA LYS 9 -2.958 -8.486 -6.126 66 1HB LYS 9 2HB LYS 9 -2.275 -6.398 -8.165 67 2HB LYS 9 1HB LYS 9 -1.054 -7.556 -7.659 68 1HG LYS 9 2HG LYS 9 -2.553 -9.392 -8.320 69 2HG LYS 9 1HG LYS 9 -3.726 -8.202 -8.888 70 1HD LYS 9 2HD LYS 9 -2.481 -7.647 -10.718 71 2HD LYS 9 1HD LYS 9 -0.949 -7.994 -9.915 72 1HE LYS 9 2HE LYS 9 -1.060 -10.245 -10.377 73 2HE LYS 9 1HE LYS 9 -2.820 -10.240 -10.502 74 1HZ LYS 9 1HZ LYS 9 -0.831 -9.355 -12.500 75 2HZ LYS 9 2HZ LYS 9 -2.438 -8.834 -12.576 76 3HZ LYS 9 3HZ LYS 9 -2.079 -10.484 -12.678 77 H CYS 10 H CYS 10 -3.337 -6.365 -4.155 78 HA CYS 10 HA CYS 10 -0.523 -5.808 -3.479 79 1HB CYS 10 2HB CYS 10 -2.455 -3.946 -3.812 80 2HB CYS 10 1HB CYS 10 -2.651 -4.284 -2.097 81 H ALA 11 H ALA 11 -3.629 -6.946 -2.288 82 HA ALA 11 HA ALA 11 -2.599 -7.464 0.366 83 1HB ALA 11 1HB ALA 11 -5.186 -8.621 -0.499 84 2HB ALA 11 2HB ALA 11 -5.059 -6.862 -0.460 85 3HB ALA 11 3HB ALA 11 -4.754 -7.801 1.001 86 H ALA 12 H ALA 12 -0.898 -8.793 -1.066 87 HA ALA 12 HA ALA 12 -1.822 -11.589 -1.153 88 1HB ALA 12 1HB ALA 12 -0.712 -10.225 -3.189 89 2HB ALA 12 2HB ALA 12 -0.562 -11.970 -2.986 90 3HB ALA 12 3HB ALA 12 0.736 -10.904 -2.447 91 H ALA 13 H ALA 13 0.613 -9.394 0.069 92 HA ALA 13 HA ALA 13 2.040 -11.567 1.397 93 1HB ALA 13 1HB ALA 13 3.833 -10.198 1.512 94 2HB ALA 13 2HB ALA 13 2.859 -8.772 1.872 95 3HB ALA 13 3HB ALA 13 2.991 -9.353 0.212 96 H ALA 14 H ALA 14 -0.340 -9.178 2.063 97 HA ALA 14 HA ALA 14 -1.548 -8.702 3.932 98 1HB ALA 14 1HB ALA 14 -1.144 -11.310 4.177 99 2HB ALA 14 2HB ALA 14 -1.909 -10.361 5.453 100 3HB ALA 14 3HB ALA 14 -0.200 -10.780 5.570 101 H ASN 15 H ASN 15 1.049 -7.491 3.420 102 HA ASN 15 HA ASN 15 1.690 -6.661 6.171 103 1HB ASN 15 2HB ASN 15 3.469 -7.663 4.061 104 2HB ASN 15 1HB ASN 15 4.009 -6.153 4.786 105 1HD2 ASN 15 1HD2 ASN 15 5.747 -7.037 5.828 106 2HD2 ASN 15 2HD2 ASN 15 5.597 -8.117 7.168 107 H VAL 16 H VAL 16 1.699 -4.518 6.542 108 HA VAL 16 HA VAL 16 0.550 -2.734 4.724 109 HB VAL 16 HB VAL 16 0.529 -2.365 7.152 110 1HG1 VAL 16 1HG1 VAL 16 2.421 -1.722 8.396 111 2HG1 VAL 16 2HG1 VAL 16 3.391 -1.472 6.946 112 3HG1 VAL 16 3HG1 VAL 16 2.943 -3.106 7.435 113 1HG2 VAL 16 1HG2 VAL 16 0.355 -0.122 6.940 114 2HG2 VAL 16 2HG2 VAL 16 0.595 -0.483 5.231 115 3HG2 VAL 16 3HG2 VAL 16 1.957 0.044 6.220 116 H ALA 17 H ALA 17 3.941 -3.327 5.537 117 HA ALA 17 HA ALA 17 5.081 -1.213 4.105 118 1HB ALA 17 1HB ALA 17 6.585 -3.749 4.124 119 2HB ALA 17 2HB ALA 17 6.068 -3.145 5.699 120 3HB ALA 17 3HB ALA 17 7.065 -2.136 4.652 121 H ALA 18 H ALA 18 4.386 -4.549 3.088 122 HA ALA 18 HA ALA 18 5.406 -4.384 0.495 123 1HB ALA 18 1HB ALA 18 2.971 -6.016 1.024 124 2HB ALA 18 2HB ALA 18 4.465 -6.402 1.879 125 3HB ALA 18 3HB ALA 18 4.426 -6.424 0.117 126 H HIS 19 H HIS 19 2.597 -2.954 1.855 127 HA HIS 19 HA HIS 19 1.265 -2.607 -0.699 128 1HB HIS 19 2HB HIS 19 -0.335 -2.905 0.938 129 2HB HIS 19 1HB HIS 19 0.599 -2.050 2.158 130 HD2 HIS 19 2HD HIS 19 -0.581 0.242 2.811 131 HE1 HIS 19 1HE HIS 19 -2.368 1.062 -0.938 132 HE2 HIS 19 2HE HIS 19 -1.924 1.952 1.396 133 H ILE 20 H ILE 20 2.252 -0.331 1.869 134 HA ILE 20 HA ILE 20 2.152 1.954 0.251 135 HB ILE 20 HB ILE 20 2.139 2.039 2.706 136 1HG1 ILE 20 2HG1 ILE 20 4.569 3.597 1.950 137 2HG1 ILE 20 1HG1 ILE 20 3.080 3.903 1.061 138 1HG2 ILE 20 1HG2 ILE 20 5.054 1.304 2.473 139 2HG2 ILE 20 2HG2 ILE 20 3.774 0.317 3.181 140 3HG2 ILE 20 3HG2 ILE 20 4.249 1.830 3.951 141 1HD1 ILE 20 1HD1 ILE 20 2.656 3.847 3.926 142 2HD1 ILE 20 2HD1 ILE 20 2.218 5.073 2.737 143 3HD1 ILE 20 3HD1 ILE 20 3.836 5.062 3.437 144 H THR 21 H THR 21 4.555 -0.511 0.465 145 HA THR 21 HA THR 21 6.911 0.764 -0.125 146 HB THR 21 HB THR 21 6.823 -1.629 0.232 147 HG1 THR 21 1HG THR 21 8.610 -1.210 -0.889 148 1HG2 THR 21 1HG2 THR 21 5.768 -3.176 -1.054 149 2HG2 THR 21 2HG2 THR 21 5.830 -2.177 -2.507 150 3HG2 THR 21 3HG2 THR 21 4.655 -1.822 -1.240 151 H HIS 22 H HIS 22 4.416 -0.251 -2.446 152 HA HIS 22 HA HIS 22 5.733 1.415 -4.483 153 1HB HIS 22 2HB HIS 22 4.533 0.086 -6.151 154 2HB HIS 22 1HB HIS 22 5.485 -0.954 -5.097 155 HD1 HIS 22 1HD HIS 22 4.246 -2.707 -3.762 156 HD2 HIS 22 2HD HIS 22 1.707 -0.056 -5.707 157 HE1 HIS 22 1HE HIS 22 1.941 -3.680 -3.513 158 HE2 HIS 22 2HE HIS 22 0.433 -2.105 -4.777 159 H CYS 23 H CYS 23 2.795 0.889 -2.697 160 HA CYS 23 HA CYS 23 1.208 2.676 -4.306 161 1HB CYS 23 2HB CYS 23 0.745 1.253 -1.691 162 2HB CYS 23 1HB CYS 23 -0.408 2.421 -2.327 163 H TYR 24 H TYR 24 1.777 4.762 -4.304 164 HA TYR 24 HA TYR 24 1.875 6.144 -1.726 165 1HB TYR 24 2HB TYR 24 4.059 6.011 -3.744 166 2HB TYR 24 1HB TYR 24 3.774 7.560 -2.960 167 HD1 TYR 24 1HD TYR 24 3.183 6.973 -0.239 168 HD2 TYR 24 2HD TYR 24 5.908 4.984 -2.830 169 HE1 TYR 24 1HE TYR 24 4.483 6.227 1.711 170 HE2 TYR 24 2HE TYR 24 7.216 4.232 -0.888 171 HH TYR 24 HH TYR 24 6.940 3.857 1.485 172 H LYS 25 H LYS 25 2.212 8.668 -2.374 173 HA LYS 25 HA LYS 25 0.535 9.321 -4.674 174 1HB LYS 25 2HB LYS 25 -0.955 10.730 -3.362 175 2HB LYS 25 1HB LYS 25 -1.019 9.071 -2.781 176 1HG LYS 25 2HG LYS 25 0.439 9.650 -0.921 177 2HG LYS 25 1HG LYS 25 0.543 11.310 -1.510 178 1HD LYS 25 2HD LYS 25 -1.165 11.664 -0.085 179 2HD LYS 25 1HD LYS 25 -2.142 10.983 -1.387 180 1HE LYS 25 2HE LYS 25 -2.827 9.760 0.460 181 2HE LYS 25 1HE LYS 25 -1.619 8.710 -0.279 182 1HZ LYS 25 1HZ LYS 25 -1.568 9.200 2.264 183 2HZ LYS 25 2HZ LYS 25 -0.770 10.613 1.788 184 3HZ LYS 25 3HZ LYS 25 -0.124 9.102 1.388 Start of MODEL 11 1 1H PHE 1 1HT PHE 1 -2.696 2.858 4.483 2 2H PHE 1 2HT PHE 1 -3.291 2.264 2.987 3 3H PHE 1 3HT PHE 1 -1.648 2.017 3.418 4 HA PHE 1 HA PHE 1 -2.165 0.507 5.045 5 1HB PHE 1 2HB PHE 1 -4.286 2.106 5.543 6 2HB PHE 1 1HB PHE 1 -5.104 0.763 4.752 7 HD1 PHE 1 1HD PHE 1 -5.815 -0.996 6.045 8 HD2 PHE 1 2HD PHE 1 -2.571 1.393 7.415 9 HE1 PHE 1 1HE PHE 1 -5.778 -2.262 8.153 10 HE2 PHE 1 2HE PHE 1 -2.528 0.130 9.526 11 HZ PHE 1 HZ PHE 1 -4.132 -1.700 9.897 12 H VAL 2 H VAL 2 -1.906 -1.458 4.218 13 HA VAL 2 HA VAL 2 -2.517 -2.138 1.579 14 HB VAL 2 HB VAL 2 -0.777 -3.278 2.887 15 1HG1 VAL 2 1HG1 VAL 2 -1.541 -5.136 4.429 16 2HG1 VAL 2 2HG1 VAL 2 -3.127 -4.365 4.416 17 3HG1 VAL 2 3HG1 VAL 2 -1.727 -3.491 5.036 18 1HG2 VAL 2 1HG2 VAL 2 -0.933 -5.206 1.703 19 2HG2 VAL 2 2HG2 VAL 2 -2.258 -4.336 0.930 20 3HG2 VAL 2 3HG2 VAL 2 -2.597 -5.509 2.204 21 H SER 3 H SER 3 -4.371 -2.470 4.517 22 HA SER 3 HA SER 3 -6.298 -4.292 3.441 23 1HB SER 3 2HB SER 3 -5.657 -3.610 5.960 24 2HB SER 3 1HB SER 3 -7.042 -2.543 5.725 25 HG SER 3 HG SER 3 -8.298 -4.344 5.236 26 H THR 4 H THR 4 -5.926 -0.829 3.535 27 HA THR 4 HA THR 4 -8.625 -0.474 2.439 28 HB THR 4 HB THR 4 -6.813 1.791 3.198 29 HG1 THR 4 1HG THR 4 -8.305 0.142 4.944 30 1HG2 THR 4 1HG2 THR 4 -9.230 1.916 2.139 31 2HG2 THR 4 2HG2 THR 4 -8.675 3.068 3.354 32 3HG2 THR 4 3HG2 THR 4 -9.702 1.714 3.827 33 H CYS 5 H CYS 5 -6.001 -1.371 1.064 34 HA CYS 5 HA CYS 5 -5.265 0.661 -0.753 35 1HB CYS 5 2HB CYS 5 -3.891 -1.353 -0.287 36 2HB CYS 5 1HB CYS 5 -5.086 -2.336 -1.127 37 H TYR 6 H TYR 6 -6.185 1.375 -2.574 38 HA TYR 6 HA TYR 6 -8.749 0.264 -3.351 39 1HB TYR 6 2HB TYR 6 -8.890 2.230 -4.840 40 2HB TYR 6 1HB TYR 6 -8.549 2.684 -3.174 41 HD1 TYR 6 1HD TYR 6 -7.226 2.526 -6.581 42 HD2 TYR 6 2HD TYR 6 -6.384 3.607 -2.553 43 HE1 TYR 6 1HE TYR 6 -5.262 3.797 -7.339 44 HE2 TYR 6 2HE TYR 6 -4.419 4.882 -3.300 45 HH TYR 6 HH TYR 6 -3.631 6.000 -5.383 46 H LEU 7 H LEU 7 -5.548 0.762 -4.780 47 HA LEU 7 HA LEU 7 -6.281 -0.397 -7.297 48 1HB LEU 7 2HB LEU 7 -3.919 -0.227 -7.846 49 2HB LEU 7 1HB LEU 7 -4.507 1.270 -7.149 50 HG LEU 7 HG LEU 7 -3.282 -0.628 -5.245 51 1HD1 LEU 7 1HD1 LEU 7 -1.153 -0.589 -5.990 52 2HD1 LEU 7 2HD1 LEU 7 -1.329 0.993 -6.748 53 3HD1 LEU 7 3HD1 LEU 7 -1.943 -0.447 -7.560 54 1HD2 LEU 7 1HD2 LEU 7 -3.036 1.229 -4.030 55 2HD2 LEU 7 2HD2 LEU 7 -4.070 2.011 -5.226 56 3HD2 LEU 7 3HD2 LEU 7 -2.315 2.115 -5.375 57 HA PRO 8 HA PRO 8 -5.700 -4.652 -6.245 58 1HB PRO 8 2HB PRO 8 -5.249 -5.698 -8.694 59 2HB PRO 8 1HB PRO 8 -6.839 -5.104 -8.198 60 1HG PRO 8 2HG PRO 8 -4.750 -3.756 -9.867 61 2HG PRO 8 1HG PRO 8 -6.505 -3.827 -10.113 62 1HD PRO 8 2HD PRO 8 -5.248 -1.675 -9.026 63 2HD PRO 8 1HD PRO 8 -6.911 -2.136 -8.611 64 H LYS 9 H LYS 9 -4.105 -6.527 -7.279 65 HA LYS 9 HA LYS 9 -2.006 -7.395 -7.192 66 1HB LYS 9 2HB LYS 9 -1.886 -5.479 -9.062 67 2HB LYS 9 1HB LYS 9 -0.729 -4.811 -7.917 68 1HG LYS 9 2HG LYS 9 0.805 -6.421 -8.316 69 2HG LYS 9 1HG LYS 9 -0.413 -7.669 -8.587 70 1HD LYS 9 2HD LYS 9 -0.862 -6.046 -10.710 71 2HD LYS 9 1HD LYS 9 0.876 -5.833 -10.491 72 1HE LYS 9 2HE LYS 9 0.742 -7.642 -11.944 73 2HE LYS 9 1HE LYS 9 0.957 -8.403 -10.369 74 1HZ LYS 9 1HZ LYS 9 -0.854 -9.286 -11.942 75 2HZ LYS 9 2HZ LYS 9 -1.749 -7.942 -11.440 76 3HZ LYS 9 3HZ LYS 9 -1.234 -9.085 -10.306 77 H CYS 10 H CYS 10 -3.065 -6.332 -4.798 78 HA CYS 10 HA CYS 10 -0.564 -5.761 -3.388 79 1HB CYS 10 2HB CYS 10 -2.638 -3.852 -3.790 80 2HB CYS 10 1HB CYS 10 -2.647 -4.299 -2.088 81 H ALA 11 H ALA 11 -0.843 -6.022 -0.981 82 HA ALA 11 HA ALA 11 -1.355 -7.342 0.799 83 1HB ALA 11 1HB ALA 11 -4.075 -7.953 -0.204 84 2HB ALA 11 2HB ALA 11 -3.680 -6.259 0.084 85 3HB ALA 11 3HB ALA 11 -3.546 -7.430 1.395 86 H ALA 12 H ALA 12 0.123 -8.955 0.083 87 HA ALA 12 HA ALA 12 -1.137 -11.311 -1.154 88 1HB ALA 12 1HB ALA 12 1.666 -10.264 -1.215 89 2HB ALA 12 2HB ALA 12 0.617 -10.727 -2.555 90 3HB ALA 12 3HB ALA 12 1.336 -11.968 -1.529 91 H ALA 13 H ALA 13 0.696 -10.147 1.582 92 HA ALA 13 HA ALA 13 0.192 -12.697 2.941 93 1HB ALA 13 1HB ALA 13 2.363 -13.035 3.617 94 2HB ALA 13 2HB ALA 13 2.803 -11.338 3.424 95 3HB ALA 13 3HB ALA 13 2.616 -12.367 2.005 96 H ALA 14 H ALA 14 -1.087 -10.070 3.058 97 HA ALA 14 HA ALA 14 -1.928 -8.622 4.600 98 1HB ALA 14 1HB ALA 14 -2.057 -10.966 5.784 99 2HB ALA 14 2HB ALA 14 -2.425 -9.482 6.664 100 3HB ALA 14 3HB ALA 14 -0.847 -10.248 6.848 101 H ASN 15 H ASN 15 0.808 -8.267 3.644 102 HA ASN 15 HA ASN 15 2.137 -7.056 5.955 103 1HB ASN 15 2HB ASN 15 3.220 -8.583 4.047 104 2HB ASN 15 1HB ASN 15 3.392 -7.019 3.256 105 1HD2 ASN 15 1HD2 ASN 15 4.881 -9.179 5.215 106 2HD2 ASN 15 2HD2 ASN 15 6.008 -8.133 6.004 107 H VAL 16 H VAL 16 2.190 -4.922 6.269 108 HA VAL 16 HA VAL 16 0.685 -3.192 4.554 109 HB VAL 16 HB VAL 16 0.694 -2.876 6.989 110 1HG1 VAL 16 1HG1 VAL 16 3.576 -2.062 6.621 111 2HG1 VAL 16 2HG1 VAL 16 3.005 -3.518 7.437 112 3HG1 VAL 16 3HG1 VAL 16 2.646 -1.930 8.115 113 1HG2 VAL 16 1HG2 VAL 16 1.037 -0.435 7.002 114 2HG2 VAL 16 2HG2 VAL 16 0.137 -0.982 5.587 115 3HG2 VAL 16 3HG2 VAL 16 1.842 -0.558 5.438 116 H ALA 17 H ALA 17 4.112 -3.681 5.255 117 HA ALA 17 HA ALA 17 5.144 -1.472 3.890 118 1HB ALA 17 1HB ALA 17 6.275 -4.176 4.528 119 2HB ALA 17 2HB ALA 17 6.648 -2.617 5.263 120 3HB ALA 17 3HB ALA 17 7.203 -2.977 3.627 121 H ALA 18 H ALA 18 4.425 -4.748 2.733 122 HA ALA 18 HA ALA 18 5.391 -4.474 0.128 123 1HB ALA 18 1HB ALA 18 2.946 -6.097 0.554 124 2HB ALA 18 2HB ALA 18 4.386 -6.525 1.478 125 3HB ALA 18 3HB ALA 18 4.444 -6.501 -0.284 126 H HIS 19 H HIS 19 2.637 -3.070 1.616 127 HA HIS 19 HA HIS 19 1.246 -2.590 -0.884 128 1HB HIS 19 2HB HIS 19 -0.305 -2.943 0.797 129 2HB HIS 19 1HB HIS 19 0.667 -2.125 2.013 130 HD2 HIS 19 2HD HIS 19 -0.468 0.160 2.758 131 HE1 HIS 19 1HE HIS 19 -2.378 1.080 -0.905 132 HE2 HIS 19 2HE HIS 19 -1.849 1.909 1.432 133 H ILE 20 H ILE 20 2.293 -0.425 1.753 134 HA ILE 20 HA ILE 20 2.200 1.922 0.238 135 HB ILE 20 HB ILE 20 2.256 1.900 2.694 136 1HG1 ILE 20 2HG1 ILE 20 4.687 3.469 2.068 137 2HG1 ILE 20 1HG1 ILE 20 3.289 3.784 1.045 138 1HG2 ILE 20 1HG2 ILE 20 4.294 0.153 2.497 139 2HG2 ILE 20 2HG2 ILE 20 3.945 1.093 3.947 140 3HG2 ILE 20 3HG2 ILE 20 5.188 1.639 2.821 141 1HD1 ILE 20 1HD1 ILE 20 2.710 3.710 3.914 142 2HD1 ILE 20 2HD1 ILE 20 2.189 4.850 2.673 143 3HD1 ILE 20 3HD1 ILE 20 3.787 5.010 3.403 144 H THR 21 H THR 21 4.589 -0.573 0.301 145 HA THR 21 HA THR 21 6.936 0.705 -0.314 146 HB THR 21 HB THR 21 6.834 -1.699 -0.033 147 HG1 THR 21 1HG THR 21 8.596 -1.167 -1.193 148 1HG2 THR 21 1HG2 THR 21 5.749 -3.196 -1.359 149 2HG2 THR 21 2HG2 THR 21 5.774 -2.135 -2.768 150 3HG2 THR 21 3HG2 THR 21 4.635 -1.833 -1.456 151 H HIS 22 H HIS 22 4.368 -0.215 -2.594 152 HA HIS 22 HA HIS 22 5.639 1.513 -4.610 153 1HB HIS 22 2HB HIS 22 4.391 0.244 -6.289 154 2HB HIS 22 1HB HIS 22 5.367 -0.833 -5.296 155 HD1 HIS 22 1HD HIS 22 4.152 -2.611 -3.960 156 HD2 HIS 22 2HD HIS 22 1.581 0.078 -5.810 157 HE1 HIS 22 1HE HIS 22 1.851 -3.589 -3.693 158 HE2 HIS 22 2HE HIS 22 0.323 -1.991 -4.903 159 H CYS 23 H CYS 23 2.742 0.924 -2.773 160 HA CYS 23 HA CYS 23 1.122 2.774 -4.272 161 1HB CYS 23 2HB CYS 23 0.723 1.241 -1.712 162 2HB CYS 23 1HB CYS 23 -0.438 2.448 -2.251 163 H TYR 24 H TYR 24 1.191 4.904 -4.079 164 HA TYR 24 HA TYR 24 1.895 6.077 -1.479 165 1HB TYR 24 2HB TYR 24 3.700 6.049 -3.482 166 2HB TYR 24 1HB TYR 24 2.834 7.527 -3.888 167 HD1 TYR 24 1HD TYR 24 3.945 5.971 -0.671 168 HD2 TYR 24 2HD TYR 24 4.000 9.390 -3.202 169 HE1 TYR 24 1HE TYR 24 5.253 7.191 1.017 170 HE2 TYR 24 2HE TYR 24 5.309 10.620 -1.522 171 HH TYR 24 HH TYR 24 5.566 10.390 1.140 172 H LYS 25 H LYS 25 0.944 8.073 -1.017 173 HA LYS 25 HA LYS 25 -0.708 9.634 -1.020 174 1HB LYS 25 2HB LYS 25 -0.214 9.358 -3.979 175 2HB LYS 25 1HB LYS 25 -1.403 10.483 -3.338 176 1HG LYS 25 2HG LYS 25 1.326 10.599 -2.195 177 2HG LYS 25 1HG LYS 25 1.106 11.183 -3.847 178 1HD LYS 25 2HD LYS 25 -0.701 12.662 -3.050 179 2HD LYS 25 1HD LYS 25 -0.400 12.112 -1.401 180 1HE LYS 25 2HE LYS 25 1.615 13.217 -1.257 181 2HE LYS 25 1HE LYS 25 1.860 13.218 -3.002 182 1HZ LYS 25 1HZ LYS 25 0.636 15.083 -3.268 183 2HZ LYS 25 2HZ LYS 25 1.124 15.367 -1.673 184 3HZ LYS 25 3HZ LYS 25 -0.413 14.735 -1.986 Start of MODEL 12 1 1H PHE 1 1HT PHE 1 -1.843 2.036 5.900 2 2H PHE 1 2HT PHE 1 -3.267 2.045 4.943 3 3H PHE 1 3HT PHE 1 -1.739 1.778 4.208 4 HA PHE 1 HA PHE 1 -1.546 -0.212 5.672 5 1HB PHE 1 2HB PHE 1 -4.485 0.451 5.951 6 2HB PHE 1 1HB PHE 1 -3.785 -1.110 6.369 7 HD1 PHE 1 1HD PHE 1 -4.397 2.260 7.440 8 HD2 PHE 1 2HD PHE 1 -2.069 -1.221 8.195 9 HE1 PHE 1 1HE PHE 1 -3.870 3.106 9.689 10 HE2 PHE 1 2HE PHE 1 -1.539 -0.382 10.447 11 HZ PHE 1 HZ PHE 1 -2.439 1.784 11.196 12 H VAL 2 H VAL 2 -2.033 -2.245 4.683 13 HA VAL 2 HA VAL 2 -2.364 -2.063 1.858 14 HB VAL 2 HB VAL 2 -0.897 -3.745 2.883 15 1HG1 VAL 2 1HG1 VAL 2 -3.278 -5.365 3.677 16 2HG1 VAL 2 2HG1 VAL 2 -2.636 -4.146 4.779 17 3HG1 VAL 2 3HG1 VAL 2 -1.609 -5.473 4.236 18 1HG2 VAL 2 1HG2 VAL 2 -1.193 -5.191 1.182 19 2HG2 VAL 2 2HG2 VAL 2 -2.439 -4.048 0.681 20 3HG2 VAL 2 3HG2 VAL 2 -2.882 -5.491 1.594 21 H SER 3 H SER 3 -4.397 -3.218 4.512 22 HA SER 3 HA SER 3 -6.462 -4.332 2.990 23 1HB SER 3 2HB SER 3 -6.443 -3.075 5.735 24 2HB SER 3 1HB SER 3 -7.882 -3.824 5.044 25 HG SER 3 HG SER 3 -6.522 -5.212 6.386 26 H THR 4 H THR 4 -5.747 -1.019 3.839 27 HA THR 4 HA THR 4 -8.285 0.029 3.027 28 HB THR 4 HB THR 4 -6.754 2.210 2.976 29 HG1 THR 4 1HG THR 4 -4.816 1.865 3.651 30 1HG2 THR 4 1HG2 THR 4 -8.371 2.223 4.611 31 2HG2 THR 4 2HG2 THR 4 -6.883 2.206 5.558 32 3HG2 THR 4 3HG2 THR 4 -7.803 0.718 5.333 33 H CYS 5 H CYS 5 -5.429 -0.920 1.388 34 HA CYS 5 HA CYS 5 -5.354 0.776 -0.802 35 1HB CYS 5 2HB CYS 5 -3.729 -1.086 -0.199 36 2HB CYS 5 1HB CYS 5 -4.857 -2.195 -0.970 37 H TYR 6 H TYR 6 -6.064 0.395 -3.022 38 HA TYR 6 HA TYR 6 -8.634 -1.038 -3.164 39 1HB TYR 6 2HB TYR 6 -9.390 0.768 -4.742 40 2HB TYR 6 1HB TYR 6 -9.174 1.293 -3.076 41 HD1 TYR 6 1HD TYR 6 -8.368 1.944 -6.469 42 HD2 TYR 6 2HD TYR 6 -6.904 2.406 -2.501 43 HE1 TYR 6 1HE TYR 6 -6.869 3.736 -7.237 44 HE2 TYR 6 2HE TYR 6 -5.401 4.200 -3.257 45 HH TYR 6 HH TYR 6 -4.359 5.001 -5.273 46 H LEU 7 H LEU 7 -5.835 0.184 -4.951 47 HA LEU 7 HA LEU 7 -6.516 -1.169 -7.376 48 1HB LEU 7 2HB LEU 7 -4.376 -0.444 -8.187 49 2HB LEU 7 1HB LEU 7 -5.126 0.874 -7.305 50 HG LEU 7 HG LEU 7 -3.300 -0.833 -5.732 51 1HD1 LEU 7 1HD1 LEU 7 -1.752 -0.813 -7.386 52 2HD1 LEU 7 2HD1 LEU 7 -1.449 0.800 -6.740 53 3HD1 LEU 7 3HD1 LEU 7 -2.451 0.598 -8.178 54 1HD2 LEU 7 1HD2 LEU 7 -4.047 0.968 -4.524 55 2HD2 LEU 7 2HD2 LEU 7 -4.091 2.033 -5.928 56 3HD2 LEU 7 3HD2 LEU 7 -2.546 1.619 -5.183 57 HA PRO 8 HA PRO 8 -5.118 -5.278 -6.584 58 1HB PRO 8 2HB PRO 8 -3.894 -5.167 -9.290 59 2HB PRO 8 1HB PRO 8 -5.053 -6.322 -8.626 60 1HG PRO 8 2HG PRO 8 -5.826 -4.465 -10.374 61 2HG PRO 8 1HG PRO 8 -6.864 -4.928 -9.013 62 1HD PRO 8 2HD PRO 8 -5.166 -2.494 -9.363 63 2HD PRO 8 1HD PRO 8 -6.767 -2.655 -8.615 64 H LYS 9 H LYS 9 -2.922 -6.581 -7.485 65 HA LYS 9 HA LYS 9 -0.725 -6.935 -7.010 66 1HB LYS 9 2HB LYS 9 -0.776 -4.112 -7.988 67 2HB LYS 9 1HB LYS 9 0.717 -4.743 -7.307 68 1HG LYS 9 2HG LYS 9 0.784 -5.018 -9.677 69 2HG LYS 9 1HG LYS 9 0.609 -6.611 -8.937 70 1HD LYS 9 2HD LYS 9 -1.915 -5.253 -9.602 71 2HD LYS 9 1HD LYS 9 -0.914 -5.698 -10.986 72 1HE LYS 9 2HE LYS 9 -0.846 -8.001 -10.233 73 2HE LYS 9 1HE LYS 9 -1.757 -7.578 -8.784 74 1HZ LYS 9 1HZ LYS 9 -2.694 -7.663 -11.584 75 2HZ LYS 9 2HZ LYS 9 -3.531 -6.782 -10.407 76 3HZ LYS 9 3HZ LYS 9 -3.334 -8.452 -10.231 77 H CYS 10 H CYS 10 -2.527 -6.205 -4.841 78 HA CYS 10 HA CYS 10 -0.504 -5.600 -2.853 79 1HB CYS 10 2HB CYS 10 -2.656 -3.721 -3.608 80 2HB CYS 10 1HB CYS 10 -2.462 -3.987 -1.879 81 H ALA 11 H ALA 11 -1.234 -6.045 -0.659 82 HA ALA 11 HA ALA 11 -2.239 -7.353 0.907 83 1HB ALA 11 1HB ALA 11 -4.550 -7.347 1.023 84 2HB ALA 11 2HB ALA 11 -4.741 -7.434 -0.728 85 3HB ALA 11 3HB ALA 11 -4.220 -5.929 0.027 86 H ALA 12 H ALA 12 -0.698 -8.979 -0.006 87 HA ALA 12 HA ALA 12 -2.119 -11.203 -1.313 88 1HB ALA 12 1HB ALA 12 -0.033 -10.108 -2.381 89 2HB ALA 12 2HB ALA 12 -0.142 -11.868 -2.330 90 3HB ALA 12 3HB ALA 12 0.865 -11.013 -1.162 91 H ALA 13 H ALA 13 -0.172 -10.259 1.431 92 HA ALA 13 HA ALA 13 -0.939 -12.705 2.803 93 1HB ALA 13 1HB ALA 13 1.510 -12.917 3.604 94 2HB ALA 13 2HB ALA 13 1.894 -11.994 2.151 95 3HB ALA 13 3HB ALA 13 1.073 -13.549 2.017 96 H ALA 14 H ALA 14 -1.569 -9.865 3.040 97 HA ALA 14 HA ALA 14 -1.885 -8.296 4.658 98 1HB ALA 14 1HB ALA 14 -2.357 -10.561 5.894 99 2HB ALA 14 2HB ALA 14 -2.257 -9.048 6.795 100 3HB ALA 14 3HB ALA 14 -0.880 -10.149 6.765 101 H ASN 15 H ASN 15 -0.074 -7.138 3.706 102 HA ASN 15 HA ASN 15 2.032 -6.711 5.676 103 1HB ASN 15 2HB ASN 15 2.627 -8.329 3.603 104 2HB ASN 15 1HB ASN 15 2.980 -6.770 2.866 105 1HD2 ASN 15 1HD2 ASN 15 5.099 -6.545 2.882 106 2HD2 ASN 15 2HD2 ASN 15 6.134 -6.792 4.243 107 H VAL 16 H VAL 16 2.099 -4.612 6.088 108 HA VAL 16 HA VAL 16 0.794 -2.697 4.423 109 HB VAL 16 HB VAL 16 0.871 -2.452 6.869 110 1HG1 VAL 16 1HG1 VAL 16 2.791 -2.099 8.100 111 2HG1 VAL 16 2HG1 VAL 16 3.717 -1.557 6.699 112 3HG1 VAL 16 3HG1 VAL 16 3.342 -3.269 6.901 113 1HG2 VAL 16 1HG2 VAL 16 0.382 -0.379 6.158 114 2HG2 VAL 16 2HG2 VAL 16 1.693 -0.365 4.978 115 3HG2 VAL 16 3HG2 VAL 16 2.025 0.002 6.670 116 H ALA 17 H ALA 17 4.172 -3.503 5.097 117 HA ALA 17 HA ALA 17 5.382 -1.382 3.736 118 1HB ALA 17 1HB ALA 17 6.368 -4.201 4.154 119 2HB ALA 17 2HB ALA 17 6.652 -2.814 5.205 120 3HB ALA 17 3HB ALA 17 7.362 -2.857 3.591 121 H ALA 18 H ALA 18 4.556 -4.644 2.570 122 HA ALA 18 HA ALA 18 5.477 -4.344 -0.049 123 1HB ALA 18 1HB ALA 18 3.189 -6.031 0.957 124 2HB ALA 18 2HB ALA 18 4.885 -6.507 0.885 125 3HB ALA 18 3HB ALA 18 3.988 -6.213 -0.605 126 H HIS 19 H HIS 19 2.741 -2.962 1.497 127 HA HIS 19 HA HIS 19 1.324 -2.451 -0.984 128 1HB HIS 19 2HB HIS 19 -0.234 -2.825 0.672 129 2HB HIS 19 1HB HIS 19 0.758 -2.089 1.923 130 HD2 HIS 19 2HD HIS 19 -0.306 0.191 2.783 131 HE1 HIS 19 1HE HIS 19 -2.261 1.305 -0.801 132 HE2 HIS 19 2HE HIS 19 -1.956 1.846 1.658 133 H ILE 20 H ILE 20 2.464 -0.364 1.681 134 HA ILE 20 HA ILE 20 2.317 2.027 0.224 135 HB ILE 20 HB ILE 20 2.415 1.961 2.673 136 1HG1 ILE 20 2HG1 ILE 20 4.822 3.502 1.734 137 2HG1 ILE 20 1HG1 ILE 20 3.199 3.955 1.224 138 1HG2 ILE 20 1HG2 ILE 20 4.947 0.603 2.134 139 2HG2 ILE 20 2HG2 ILE 20 3.890 0.521 3.542 140 3HG2 ILE 20 3HG2 ILE 20 5.045 1.844 3.384 141 1HD1 ILE 20 1HD1 ILE 20 3.589 3.576 4.118 142 2HD1 ILE 20 2HD1 ILE 20 2.658 4.791 3.241 143 3HD1 ILE 20 3HD1 ILE 20 4.407 4.957 3.387 144 H THR 21 H THR 21 4.639 -0.495 0.086 145 HA THR 21 HA THR 21 7.009 0.769 -0.496 146 HB THR 21 HB THR 21 6.822 -1.656 -0.334 147 HG1 THR 21 1HG THR 21 8.605 -1.406 -1.421 148 1HG2 THR 21 1HG2 THR 21 5.747 -3.043 -1.797 149 2HG2 THR 21 2HG2 THR 21 5.768 -1.861 -3.105 150 3HG2 THR 21 3HG2 THR 21 4.641 -1.669 -1.762 151 H HIS 22 H HIS 22 4.365 0.035 -2.754 152 HA HIS 22 HA HIS 22 5.630 1.838 -4.707 153 1HB HIS 22 2HB HIS 22 4.327 0.676 -6.425 154 2HB HIS 22 1HB HIS 22 5.314 -0.462 -5.514 155 HD1 HIS 22 1HD HIS 22 4.121 -2.355 -4.372 156 HD2 HIS 22 2HD HIS 22 1.518 0.570 -5.760 157 HE1 HIS 22 1HE HIS 22 1.815 -3.310 -4.070 158 HE2 HIS 22 2HE HIS 22 0.261 -1.559 -5.004 159 H CYS 23 H CYS 23 2.735 1.165 -2.881 160 HA CYS 23 HA CYS 23 1.102 3.091 -4.244 161 1HB CYS 23 2HB CYS 23 0.787 1.482 -1.720 162 2HB CYS 23 1HB CYS 23 -0.374 2.731 -2.154 163 H TYR 24 H TYR 24 1.074 5.214 -3.950 164 HA TYR 24 HA TYR 24 1.706 6.360 -1.355 165 1HB TYR 24 2HB TYR 24 3.460 6.590 -3.742 166 2HB TYR 24 1HB TYR 24 3.205 8.053 -2.798 167 HD1 TYR 24 1HD TYR 24 3.368 7.536 -0.121 168 HD2 TYR 24 2HD TYR 24 5.353 5.398 -3.218 169 HE1 TYR 24 1HE TYR 24 5.073 6.799 1.490 170 HE2 TYR 24 2HE TYR 24 7.064 4.654 -1.615 171 HH TYR 24 HH TYR 24 7.353 4.350 0.762 172 H LYS 25 H LYS 25 1.727 8.957 -1.798 173 HA LYS 25 HA LYS 25 -0.410 9.657 -3.656 174 1HB LYS 25 2HB LYS 25 -1.728 10.785 -1.946 175 2HB LYS 25 1HB LYS 25 -1.558 9.078 -1.559 176 1HG LYS 25 2HG LYS 25 -1.071 9.866 0.485 177 2HG LYS 25 1HG LYS 25 0.540 10.073 -0.202 178 1HD LYS 25 2HD LYS 25 -0.231 12.403 -0.890 179 2HD LYS 25 1HD LYS 25 -1.609 12.142 0.180 180 1HE LYS 25 2HE LYS 25 -0.091 13.240 1.549 181 2HE LYS 25 1HE LYS 25 0.171 11.543 1.950 182 1HZ LYS 25 1HZ LYS 25 1.850 13.284 0.240 183 2HZ LYS 25 2HZ LYS 25 2.019 11.601 0.269 184 3HZ LYS 25 3HZ LYS 25 2.288 12.501 1.675 Start of MODEL 13 1 1H PHE 1 1HT PHE 1 -2.229 2.290 5.835 2 2H PHE 1 2HT PHE 1 -3.243 2.160 4.456 3 3H PHE 1 3HT PHE 1 -1.555 1.886 4.311 4 HA PHE 1 HA PHE 1 -1.720 -0.020 5.718 5 1HB PHE 1 2HB PHE 1 -4.561 0.937 5.852 6 2HB PHE 1 1HB PHE 1 -4.209 -0.776 6.053 7 HD1 PHE 1 1HD PHE 1 -3.062 -1.592 8.007 8 HD2 PHE 1 2HD PHE 1 -3.832 2.563 7.498 9 HE1 PHE 1 1HE PHE 1 -2.533 -1.207 10.379 10 HE2 PHE 1 2HE PHE 1 -3.303 2.956 9.869 11 HZ PHE 1 HZ PHE 1 -2.652 1.070 11.312 12 H VAL 2 H VAL 2 -2.046 -2.070 4.775 13 HA VAL 2 HA VAL 2 -2.216 -2.049 1.934 14 HB VAL 2 HB VAL 2 -0.780 -3.639 3.134 15 1HG1 VAL 2 1HG1 VAL 2 -1.683 -5.520 4.335 16 2HG1 VAL 2 2HG1 VAL 2 -3.332 -5.008 3.976 17 3HG1 VAL 2 3HG1 VAL 2 -2.316 -4.032 5.038 18 1HG2 VAL 2 1HG2 VAL 2 -1.882 -4.077 0.833 19 2HG2 VAL 2 2HG2 VAL 2 -2.824 -5.290 1.701 20 3HG2 VAL 2 3HG2 VAL 2 -1.065 -5.404 1.657 21 H SER 3 H SER 3 -4.367 -3.200 4.508 22 HA SER 3 HA SER 3 -6.313 -4.389 2.890 23 1HB SER 3 2HB SER 3 -6.551 -3.062 5.597 24 2HB SER 3 1HB SER 3 -7.850 -3.982 4.841 25 HG SER 3 HG SER 3 -6.852 -5.500 5.985 26 H THR 4 H THR 4 -5.988 -1.054 4.032 27 HA THR 4 HA THR 4 -8.422 -0.092 3.003 28 HB THR 4 HB THR 4 -7.480 2.126 3.293 29 HG1 THR 4 1HG THR 4 -5.279 2.371 3.770 30 1HG2 THR 4 1HG2 THR 4 -8.095 1.001 5.355 31 2HG2 THR 4 2HG2 THR 4 -6.694 2.046 5.592 32 3HG2 THR 4 3HG2 THR 4 -6.481 0.300 5.463 33 H CYS 5 H CYS 5 -5.492 -0.959 1.445 34 HA CYS 5 HA CYS 5 -5.444 0.714 -0.767 35 1HB CYS 5 2HB CYS 5 -3.721 -1.015 -0.120 36 2HB CYS 5 1HB CYS 5 -4.778 -2.231 -0.827 37 H TYR 6 H TYR 6 -6.207 0.464 -2.915 38 HA TYR 6 HA TYR 6 -8.644 -1.181 -3.129 39 1HB TYR 6 2HB TYR 6 -9.379 0.617 -4.802 40 2HB TYR 6 1HB TYR 6 -9.405 1.047 -3.095 41 HD1 TYR 6 1HD TYR 6 -7.296 1.313 -6.152 42 HD2 TYR 6 2HD TYR 6 -8.285 2.954 -2.354 43 HE1 TYR 6 1HE TYR 6 -5.869 3.258 -6.628 44 HE2 TYR 6 2HE TYR 6 -6.862 4.905 -2.820 45 HH TYR 6 HH TYR 6 -5.909 6.085 -4.693 46 H LEU 7 H LEU 7 -5.812 0.092 -4.793 47 HA LEU 7 HA LEU 7 -6.391 -1.199 -7.278 48 1HB LEU 7 2HB LEU 7 -4.129 -0.533 -7.918 49 2HB LEU 7 1HB LEU 7 -5.016 0.803 -7.208 50 HG LEU 7 HG LEU 7 -3.793 0.051 -5.005 51 1HD1 LEU 7 1HD1 LEU 7 -2.493 -1.739 -5.382 52 2HD1 LEU 7 2HD1 LEU 7 -1.364 -0.555 -6.039 53 3HD1 LEU 7 3HD1 LEU 7 -2.427 -1.455 -7.121 54 1HD2 LEU 7 1HD2 LEU 7 -3.272 2.181 -5.574 55 2HD2 LEU 7 2HD2 LEU 7 -2.938 1.768 -7.256 56 3HD2 LEU 7 3HD2 LEU 7 -1.737 1.431 -6.009 57 HA PRO 8 HA PRO 8 -5.086 -5.340 -6.456 58 1HB PRO 8 2HB PRO 8 -3.848 -5.240 -9.157 59 2HB PRO 8 1HB PRO 8 -5.026 -6.381 -8.500 60 1HG PRO 8 2HG PRO 8 -5.766 -4.511 -10.248 61 2HG PRO 8 1HG PRO 8 -6.817 -4.963 -8.892 62 1HD PRO 8 2HD PRO 8 -5.087 -2.550 -9.230 63 2HD PRO 8 1HD PRO 8 -6.694 -2.695 -8.486 64 H LYS 9 H LYS 9 -2.912 -6.681 -7.311 65 HA LYS 9 HA LYS 9 -0.724 -7.065 -6.818 66 1HB LYS 9 2HB LYS 9 -0.663 -4.212 -7.754 67 2HB LYS 9 1HB LYS 9 0.805 -5.007 -7.201 68 1HG LYS 9 2HG LYS 9 0.556 -5.090 -9.636 69 2HG LYS 9 1HG LYS 9 0.575 -6.700 -8.912 70 1HD LYS 9 2HD LYS 9 -1.846 -6.823 -9.068 71 2HD LYS 9 1HD LYS 9 -1.906 -5.184 -9.718 72 1HE LYS 9 2HE LYS 9 -0.999 -5.817 -11.752 73 2HE LYS 9 1HE LYS 9 -0.265 -7.275 -11.085 74 1HZ LYS 9 1HZ LYS 9 -2.297 -7.569 -12.545 75 2HZ LYS 9 2HZ LYS 9 -3.199 -6.947 -11.256 76 3HZ LYS 9 3HZ LYS 9 -2.313 -8.373 -11.056 77 H CYS 10 H CYS 10 -2.517 -6.274 -4.669 78 HA CYS 10 HA CYS 10 -0.490 -5.644 -2.689 79 1HB CYS 10 2HB CYS 10 -2.687 -3.799 -3.442 80 2HB CYS 10 1HB CYS 10 -2.401 -4.010 -1.718 81 H ALA 11 H ALA 11 -1.356 -5.894 -0.447 82 HA ALA 11 HA ALA 11 -2.376 -7.158 1.146 83 1HB ALA 11 1HB ALA 11 -4.556 -6.596 -0.784 84 2HB ALA 11 2HB ALA 11 -4.428 -6.201 0.930 85 3HB ALA 11 3HB ALA 11 -4.845 -7.841 0.432 86 H ALA 12 H ALA 12 -0.697 -8.490 -0.688 87 HA ALA 12 HA ALA 12 -1.950 -10.934 -1.536 88 1HB ALA 12 1HB ALA 12 0.175 -9.680 -2.470 89 2HB ALA 12 2HB ALA 12 0.024 -11.434 -2.575 90 3HB ALA 12 3HB ALA 12 1.006 -10.708 -1.302 91 H ALA 13 H ALA 13 -0.146 -9.838 1.247 92 HA ALA 13 HA ALA 13 -0.786 -12.331 2.614 93 1HB ALA 13 1HB ALA 13 1.699 -12.109 3.550 94 2HB ALA 13 2HB ALA 13 1.958 -11.442 1.939 95 3HB ALA 13 3HB ALA 13 1.305 -13.070 2.124 96 H ALA 14 H ALA 14 -1.700 -9.563 2.783 97 HA ALA 14 HA ALA 14 -2.247 -8.015 4.359 98 1HB ALA 14 1HB ALA 14 -2.473 -10.387 5.593 99 2HB ALA 14 2HB ALA 14 -2.813 -8.848 6.384 100 3HB ALA 14 3HB ALA 14 -1.252 -9.633 6.619 101 H ASN 15 H ASN 15 0.438 -8.013 3.219 102 HA ASN 15 HA ASN 15 2.114 -7.049 5.406 103 1HB ASN 15 2HB ASN 15 2.918 -8.580 3.487 104 2HB ASN 15 1HB ASN 15 2.908 -7.118 2.505 105 1HD2 ASN 15 1HD2 ASN 15 5.243 -8.108 2.557 106 2HD2 ASN 15 2HD2 ASN 15 6.306 -7.351 3.689 107 H VAL 16 H VAL 16 2.065 -4.983 5.961 108 HA VAL 16 HA VAL 16 0.752 -3.000 4.400 109 HB VAL 16 HB VAL 16 0.809 -2.906 6.859 110 1HG1 VAL 16 1HG1 VAL 16 3.694 -2.085 6.611 111 2HG1 VAL 16 2HG1 VAL 16 3.179 -3.716 7.043 112 3HG1 VAL 16 3HG1 VAL 16 2.767 -2.355 8.087 113 1HG2 VAL 16 1HG2 VAL 16 0.262 -0.810 6.251 114 2HG2 VAL 16 2HG2 VAL 16 1.601 -0.680 5.112 115 3HG2 VAL 16 3HG2 VAL 16 1.879 -0.415 6.833 116 H ALA 17 H ALA 17 4.155 -3.695 5.113 117 HA ALA 17 HA ALA 17 5.291 -1.481 3.843 118 1HB ALA 17 1HB ALA 17 6.275 -4.218 4.520 119 2HB ALA 17 2HB ALA 17 6.796 -2.650 5.138 120 3HB ALA 17 3HB ALA 17 7.267 -3.158 3.516 121 H ALA 18 H ALA 18 4.539 -4.708 2.559 122 HA ALA 18 HA ALA 18 5.534 -4.319 -0.028 123 1HB ALA 18 1HB ALA 18 3.151 -6.033 0.625 124 2HB ALA 18 2HB ALA 18 4.801 -6.493 1.047 125 3HB ALA 18 3HB ALA 18 4.354 -6.267 -0.644 126 H HIS 19 H HIS 19 2.758 -3.006 1.497 127 HA HIS 19 HA HIS 19 1.352 -2.479 -0.982 128 1HB HIS 19 2HB HIS 19 -0.209 -2.850 0.668 129 2HB HIS 19 1HB HIS 19 0.787 -2.128 1.924 130 HD2 HIS 19 2HD HIS 19 -0.236 0.170 2.790 131 HE1 HIS 19 1HE HIS 19 -2.239 1.287 -0.767 132 HE2 HIS 19 2HE HIS 19 -1.896 1.829 1.686 133 H ILE 20 H ILE 20 2.481 -0.387 1.683 134 HA ILE 20 HA ILE 20 2.338 2.000 0.216 135 HB ILE 20 HB ILE 20 2.409 1.934 2.670 136 1HG1 ILE 20 2HG1 ILE 20 4.831 3.521 2.075 137 2HG1 ILE 20 1HG1 ILE 20 3.441 3.845 1.043 138 1HG2 ILE 20 1HG2 ILE 20 4.348 0.156 2.530 139 2HG2 ILE 20 2HG2 ILE 20 4.187 1.230 3.919 140 3HG2 ILE 20 3HG2 ILE 20 5.362 1.594 2.655 141 1HD1 ILE 20 1HD1 ILE 20 2.090 4.368 2.971 142 2HD1 ILE 20 2HD1 ILE 20 3.560 5.341 2.981 143 3HD1 ILE 20 3HD1 ILE 20 3.420 3.945 4.049 144 H THR 21 H THR 21 4.656 -0.519 0.091 145 HA THR 21 HA THR 21 7.031 0.770 -0.467 146 HB THR 21 HB THR 21 6.827 -1.667 -0.261 147 HG1 THR 21 1HG THR 21 8.611 -1.699 -1.330 148 1HG2 THR 21 1HG2 THR 21 5.942 -1.910 -3.086 149 2HG2 THR 21 2HG2 THR 21 4.730 -1.691 -1.824 150 3HG2 THR 21 3HG2 THR 21 5.830 -3.068 -1.760 151 H HIS 22 H HIS 22 4.362 0.050 -2.687 152 HA HIS 22 HA HIS 22 5.648 1.794 -4.683 153 1HB HIS 22 2HB HIS 22 4.372 0.600 -6.389 154 2HB HIS 22 1HB HIS 22 5.333 -0.529 -5.441 155 HD1 HIS 22 1HD HIS 22 4.110 -2.434 -4.384 156 HD2 HIS 22 2HD HIS 22 1.547 0.577 -5.662 157 HE1 HIS 22 1HE HIS 22 1.789 -3.350 -4.073 158 HE2 HIS 22 2HE HIS 22 0.259 -1.547 -4.942 159 H CYS 23 H CYS 23 2.713 1.105 -2.910 160 HA CYS 23 HA CYS 23 1.084 2.999 -4.295 161 1HB CYS 23 2HB CYS 23 0.796 1.436 -1.747 162 2HB CYS 23 1HB CYS 23 -0.360 2.699 -2.154 163 H TYR 24 H TYR 24 0.772 5.114 -3.921 164 HA TYR 24 HA TYR 24 1.463 6.353 -1.422 165 1HB TYR 24 2HB TYR 24 3.292 6.483 -3.747 166 2HB TYR 24 1HB TYR 24 2.969 8.012 -2.936 167 HD1 TYR 24 1HD TYR 24 3.215 7.956 -0.317 168 HD2 TYR 24 2HD TYR 24 5.003 5.141 -2.959 169 HE1 TYR 24 1HE TYR 24 4.869 7.392 1.414 170 HE2 TYR 24 2HE TYR 24 6.662 4.568 -1.236 171 HH TYR 24 HH TYR 24 7.082 6.429 1.603 172 H LYS 25 H LYS 25 1.485 8.941 -1.971 173 HA LYS 25 HA LYS 25 -1.069 9.370 -3.359 174 1HB LYS 25 2HB LYS 25 -1.305 11.383 -2.011 175 2HB LYS 25 1HB LYS 25 -1.010 9.993 -0.976 176 1HG LYS 25 2HG LYS 25 1.448 10.709 -1.038 177 2HG LYS 25 1HG LYS 25 0.842 12.241 -1.669 178 1HD LYS 25 2HD LYS 25 0.861 12.692 0.582 179 2HD LYS 25 1HD LYS 25 -0.781 12.076 0.392 180 1HE LYS 25 2HE LYS 25 0.136 11.014 2.307 181 2HE LYS 25 1HE LYS 25 0.106 9.811 1.019 182 1HZ LYS 25 1HZ LYS 25 2.375 11.060 2.340 183 2HZ LYS 25 2HZ LYS 25 2.535 10.813 0.673 184 3HZ LYS 25 3HZ LYS 25 2.218 9.503 1.696 Start of MODEL 14 1 1H PHE 1 1HT PHE 1 -2.796 2.330 4.579 2 2H PHE 1 2HT PHE 1 -3.310 1.855 3.012 3 3H PHE 1 3HT PHE 1 -1.678 1.622 3.490 4 HA PHE 1 HA PHE 1 -2.203 -0.046 4.949 5 1HB PHE 1 2HB PHE 1 -4.984 1.066 4.670 6 2HB PHE 1 1HB PHE 1 -4.725 -0.565 5.281 7 HD1 PHE 1 1HD PHE 1 -5.575 2.448 6.401 8 HD2 PHE 1 2HD PHE 1 -2.454 -0.383 6.995 9 HE1 PHE 1 1HE PHE 1 -5.181 3.361 8.651 10 HE2 PHE 1 2HE PHE 1 -2.054 0.524 9.247 11 HZ PHE 1 HZ PHE 1 -3.419 2.398 10.078 12 H VAL 2 H VAL 2 -1.843 -1.914 3.956 13 HA VAL 2 HA VAL 2 -2.350 -2.369 1.244 14 HB VAL 2 HB VAL 2 -0.598 -3.553 2.495 15 1HG1 VAL 2 1HG1 VAL 2 -2.735 -5.304 3.669 16 2HG1 VAL 2 2HG1 VAL 2 -2.095 -3.902 4.527 17 3HG1 VAL 2 3HG1 VAL 2 -1.022 -5.230 4.081 18 1HG2 VAL 2 1HG2 VAL 2 -1.473 -4.462 0.370 19 2HG2 VAL 2 2HG2 VAL 2 -2.594 -5.465 1.290 20 3HG2 VAL 2 3HG2 VAL 2 -0.856 -5.713 1.449 21 H SER 3 H SER 3 -4.077 -3.509 4.126 22 HA SER 3 HA SER 3 -5.948 -5.126 2.792 23 1HB SER 3 2HB SER 3 -5.464 -5.085 5.282 24 2HB SER 3 1HB SER 3 -6.456 -3.629 5.368 25 HG SER 3 HG SER 3 -7.233 -6.193 5.296 26 H THR 4 H THR 4 -5.804 -1.685 3.342 27 HA THR 4 HA THR 4 -8.446 -1.387 2.076 28 HB THR 4 HB THR 4 -6.991 0.714 3.680 29 HG1 THR 4 1HG THR 4 -7.407 -0.633 5.260 30 1HG2 THR 4 1HG2 THR 4 -8.679 1.765 2.455 31 2HG2 THR 4 2HG2 THR 4 -9.379 1.490 4.050 32 3HG2 THR 4 3HG2 THR 4 -9.809 0.434 2.704 33 H CYS 5 H CYS 5 -5.904 -1.844 0.691 34 HA CYS 5 HA CYS 5 -4.909 0.562 -0.399 35 1HB CYS 5 2HB CYS 5 -3.652 -1.530 -0.521 36 2HB CYS 5 1HB CYS 5 -4.893 -2.237 -1.547 37 H TYR 6 H TYR 6 -5.279 1.524 -2.429 38 HA TYR 6 HA TYR 6 -8.032 1.470 -3.247 39 1HB TYR 6 2HB TYR 6 -7.361 3.262 -4.812 40 2HB TYR 6 1HB TYR 6 -6.852 3.593 -3.160 41 HD1 TYR 6 1HD TYR 6 -5.732 2.772 -6.546 42 HD2 TYR 6 2HD TYR 6 -4.498 3.574 -2.555 43 HE1 TYR 6 1HE TYR 6 -3.423 3.093 -7.330 44 HE2 TYR 6 2HE TYR 6 -2.186 3.897 -3.328 45 HH TYR 6 HH TYR 6 -1.172 3.051 -6.496 46 H LEU 7 H LEU 7 -4.930 0.697 -4.813 47 HA LEU 7 HA LEU 7 -6.319 -0.390 -7.121 48 1HB LEU 7 2HB LEU 7 -4.110 -0.721 -8.068 49 2HB LEU 7 1HB LEU 7 -4.278 0.914 -7.455 50 HG LEU 7 HG LEU 7 -3.121 -0.073 -5.319 51 1HD1 LEU 7 1HD1 LEU 7 -2.839 -2.304 -5.624 52 2HD1 LEU 7 2HD1 LEU 7 -1.339 -1.745 -6.365 53 3HD1 LEU 7 3HD1 LEU 7 -2.721 -2.164 -7.378 54 1HD2 LEU 7 1HD2 LEU 7 -2.297 1.449 -7.430 55 2HD2 LEU 7 2HD2 LEU 7 -1.122 0.136 -7.443 56 3HD2 LEU 7 3HD2 LEU 7 -1.341 1.108 -5.989 57 HA PRO 8 HA PRO 8 -6.300 -4.572 -5.703 58 1HB PRO 8 2HB PRO 8 -6.385 -5.898 -8.053 59 2HB PRO 8 1HB PRO 8 -7.762 -4.977 -7.438 60 1HG PRO 8 2HG PRO 8 -5.728 -4.198 -9.492 61 2HG PRO 8 1HG PRO 8 -7.485 -3.963 -9.513 62 1HD PRO 8 2HD PRO 8 -5.732 -1.994 -8.839 63 2HD PRO 8 1HD PRO 8 -7.375 -2.094 -8.178 64 H LYS 9 H LYS 9 -5.194 -6.782 -6.469 65 HA LYS 9 HA LYS 9 -3.275 -8.003 -6.464 66 1HB LYS 9 2HB LYS 9 -2.638 -5.796 -8.389 67 2HB LYS 9 1HB LYS 9 -1.390 -6.952 -7.945 68 1HG LYS 9 2HG LYS 9 -3.000 -8.769 -8.637 69 2HG LYS 9 1HG LYS 9 -4.002 -7.490 -9.325 70 1HD LYS 9 2HD LYS 9 -2.478 -7.001 -10.981 71 2HD LYS 9 1HD LYS 9 -1.110 -7.610 -10.046 72 1HE LYS 9 2HE LYS 9 -1.312 -9.290 -11.581 73 2HE LYS 9 1HE LYS 9 -2.385 -9.901 -10.322 74 1HZ LYS 9 1HZ LYS 9 -3.019 -8.899 -12.974 75 2HZ LYS 9 2HZ LYS 9 -4.088 -8.445 -11.745 76 3HZ LYS 9 3HZ LYS 9 -3.797 -10.083 -12.048 77 H CYS 10 H CYS 10 -3.682 -6.109 -4.338 78 HA CYS 10 HA CYS 10 -0.879 -5.714 -3.544 79 1HB CYS 10 2HB CYS 10 -2.456 -3.614 -4.174 80 2HB CYS 10 1HB CYS 10 -2.859 -3.790 -2.470 81 H ALA 11 H ALA 11 -1.638 -7.944 -2.700 82 HA ALA 11 HA ALA 11 -1.842 -7.793 0.096 83 1HB ALA 11 1HB ALA 11 -4.076 -8.790 0.423 84 2HB ALA 11 2HB ALA 11 -4.397 -8.584 -1.299 85 3HB ALA 11 3HB ALA 11 -4.148 -7.172 -0.272 86 H ALA 12 H ALA 12 -0.168 -9.262 0.032 87 HA ALA 12 HA ALA 12 -0.783 -11.922 -1.071 88 1HB ALA 12 1HB ALA 12 1.727 -10.353 -0.853 89 2HB ALA 12 2HB ALA 12 1.145 -11.388 -2.157 90 3HB ALA 12 3HB ALA 12 1.836 -12.107 -0.703 91 H ALA 13 H ALA 13 0.217 -10.162 1.777 92 HA ALA 13 HA ALA 13 -0.483 -12.415 3.444 93 1HB ALA 13 1HB ALA 13 1.850 -11.988 4.658 94 2HB ALA 13 2HB ALA 13 2.333 -11.605 3.005 95 3HB ALA 13 3HB ALA 13 1.651 -13.187 3.380 96 H ALA 14 H ALA 14 -1.390 -9.672 2.995 97 HA ALA 14 HA ALA 14 -2.137 -7.881 4.183 98 1HB ALA 14 1HB ALA 14 -2.685 -9.935 5.722 99 2HB ALA 14 2HB ALA 14 -2.893 -8.286 6.311 100 3HB ALA 14 3HB ALA 14 -1.460 -9.208 6.763 101 H ASN 15 H ASN 15 0.653 -7.984 3.423 102 HA ASN 15 HA ASN 15 2.129 -6.800 5.615 103 1HB ASN 15 2HB ASN 15 2.767 -7.653 2.826 104 2HB ASN 15 1HB ASN 15 3.811 -6.460 3.593 105 1HD2 ASN 15 1HD2 ASN 15 4.736 -7.042 5.681 106 2HD2 ASN 15 2HD2 ASN 15 5.130 -8.696 5.984 107 H VAL 16 H VAL 16 2.029 -4.719 6.105 108 HA VAL 16 HA VAL 16 0.700 -2.826 4.435 109 HB VAL 16 HB VAL 16 0.627 -2.673 6.891 110 1HG1 VAL 16 1HG1 VAL 16 3.508 -1.803 6.735 111 2HG1 VAL 16 2HG1 VAL 16 2.976 -3.398 7.267 112 3HG1 VAL 16 3HG1 VAL 16 2.517 -1.963 8.185 113 1HG2 VAL 16 1HG2 VAL 16 0.038 -0.612 6.215 114 2HG2 VAL 16 2HG2 VAL 16 1.418 -0.464 5.126 115 3HG2 VAL 16 3HG2 VAL 16 1.617 -0.144 6.849 116 H ALA 17 H ALA 17 4.088 -3.341 5.365 117 HA ALA 17 HA ALA 17 5.194 -1.126 4.077 118 1HB ALA 17 1HB ALA 17 6.256 -2.902 5.671 119 2HB ALA 17 2HB ALA 17 7.256 -2.076 4.475 120 3HB ALA 17 3HB ALA 17 6.680 -3.715 4.165 121 H ALA 18 H ALA 18 4.677 -4.429 2.869 122 HA ALA 18 HA ALA 18 5.791 -4.078 0.328 123 1HB ALA 18 1HB ALA 18 3.612 -5.926 1.281 124 2HB ALA 18 2HB ALA 18 5.332 -6.281 1.108 125 3HB ALA 18 3HB ALA 18 4.339 -6.011 -0.324 126 H HIS 19 H HIS 19 2.872 -2.856 1.653 127 HA HIS 19 HA HIS 19 1.596 -2.461 -0.921 128 1HB HIS 19 2HB HIS 19 -0.055 -2.874 0.620 129 2HB HIS 19 1HB HIS 19 0.830 -2.112 1.934 130 HD2 HIS 19 2HD HIS 19 -0.312 0.160 2.722 131 HE1 HIS 19 1HE HIS 19 -2.197 1.151 -0.935 132 HE2 HIS 19 2HE HIS 19 -1.987 1.737 1.523 133 H ILE 20 H ILE 20 2.427 -0.255 1.761 134 HA ILE 20 HA ILE 20 2.249 2.091 0.240 135 HB ILE 20 HB ILE 20 2.183 2.084 2.690 136 1HG1 ILE 20 2HG1 ILE 20 4.571 3.741 1.938 137 2HG1 ILE 20 1HG1 ILE 20 3.002 4.074 1.213 138 1HG2 ILE 20 1HG2 ILE 20 4.821 0.862 2.356 139 2HG2 ILE 20 2HG2 ILE 20 3.673 0.744 3.689 140 3HG2 ILE 20 3HG2 ILE 20 4.759 2.129 3.582 141 1HD1 ILE 20 1HD1 ILE 20 2.904 3.805 4.112 142 2HD1 ILE 20 2HD1 ILE 20 2.242 5.057 3.060 143 3HD1 ILE 20 3HD1 ILE 20 3.934 5.122 3.553 144 H THR 21 H THR 21 4.785 -0.253 0.455 145 HA THR 21 HA THR 21 7.073 1.163 -0.067 146 HB THR 21 HB THR 21 7.087 -1.248 0.246 147 HG1 THR 21 1HG THR 21 8.824 -1.392 -0.906 148 1HG2 THR 21 1HG2 THR 21 6.200 -2.817 -1.151 149 2HG2 THR 21 2HG2 THR 21 6.229 -1.747 -2.553 150 3HG2 THR 21 3HG2 THR 21 5.001 -1.533 -1.304 151 H HIS 22 H HIS 22 4.677 0.064 -2.448 152 HA HIS 22 HA HIS 22 5.951 1.810 -4.444 153 1HB HIS 22 2HB HIS 22 4.767 0.468 -6.135 154 2HB HIS 22 1HB HIS 22 5.799 -0.535 -5.121 155 HD1 HIS 22 1HD HIS 22 4.670 -2.307 -3.674 156 HD2 HIS 22 2HD HIS 22 1.986 0.086 -5.755 157 HE1 HIS 22 1HE HIS 22 2.435 -3.431 -3.424 158 HE2 HIS 22 2HE HIS 22 0.842 -2.012 -4.764 159 H CYS 23 H CYS 23 3.018 1.168 -2.688 160 HA CYS 23 HA CYS 23 1.399 2.943 -4.286 161 1HB CYS 23 2HB CYS 23 0.919 1.448 -1.712 162 2HB CYS 23 1HB CYS 23 -0.263 2.564 -2.385 163 H TYR 24 H TYR 24 1.790 5.059 -4.190 164 HA TYR 24 HA TYR 24 1.924 6.322 -1.549 165 1HB TYR 24 2HB TYR 24 3.971 6.443 -3.703 166 2HB TYR 24 1HB TYR 24 3.616 7.942 -2.850 167 HD1 TYR 24 1HD TYR 24 3.549 7.668 -0.195 168 HD2 TYR 24 2HD TYR 24 5.652 5.109 -2.864 169 HE1 TYR 24 1HE TYR 24 5.029 6.978 1.644 170 HE2 TYR 24 2HE TYR 24 7.138 4.410 -1.033 171 HH TYR 24 HH TYR 24 7.180 4.322 1.373 172 H LYS 25 H LYS 25 0.597 8.010 -1.372 173 HA LYS 25 HA LYS 25 -1.186 8.730 -3.409 174 1HB LYS 25 2HB LYS 25 -1.905 10.525 -1.924 175 2HB LYS 25 1HB LYS 25 -1.664 9.038 -1.017 176 1HG LYS 25 2HG LYS 25 0.761 10.138 -0.714 177 2HG LYS 25 1HG LYS 25 -0.213 11.600 -0.881 178 1HD LYS 25 2HD LYS 25 -0.525 11.353 1.336 179 2HD LYS 25 1HD LYS 25 -1.738 10.170 0.840 180 1HE LYS 25 2HE LYS 25 -0.212 9.318 2.589 181 2HE LYS 25 1HE LYS 25 -0.157 8.371 1.103 182 1HZ LYS 25 1HZ LYS 25 1.772 10.553 1.486 183 2HZ LYS 25 2HZ LYS 25 1.929 9.127 0.590 184 3HZ LYS 25 3HZ LYS 25 2.029 9.080 2.277 Start of MODEL 15 1 1H PHE 1 1HT PHE 1 -0.885 1.356 4.285 2 2H PHE 1 2HT PHE 1 -1.736 2.292 5.445 3 3H PHE 1 3HT PHE 1 -2.359 2.119 3.856 4 HA PHE 1 HA PHE 1 -1.910 -0.172 5.628 5 1HB PHE 1 2HB PHE 1 -4.025 1.903 5.657 6 2HB PHE 1 1HB PHE 1 -4.584 0.236 5.744 7 HD1 PHE 1 1HD PHE 1 -3.708 -1.239 7.582 8 HD2 PHE 1 2HD PHE 1 -3.109 2.974 7.527 9 HE1 PHE 1 1HE PHE 1 -3.212 -1.282 9.992 10 HE2 PHE 1 2HE PHE 1 -2.611 2.939 9.936 11 HZ PHE 1 HZ PHE 1 -2.662 0.810 11.172 12 H VAL 2 H VAL 2 -1.868 -1.862 4.302 13 HA VAL 2 HA VAL 2 -2.726 -1.870 1.639 14 HB VAL 2 HB VAL 2 -1.091 -3.478 2.520 15 1HG1 VAL 2 1HG1 VAL 2 -1.765 -5.374 3.855 16 2HG1 VAL 2 2HG1 VAL 2 -3.441 -4.824 3.847 17 3HG1 VAL 2 3HG1 VAL 2 -2.209 -3.883 4.686 18 1HG2 VAL 2 1HG2 VAL 2 -2.137 -4.035 0.439 19 2HG2 VAL 2 2HG2 VAL 2 -3.555 -4.680 1.265 20 3HG2 VAL 2 3HG2 VAL 2 -2.004 -5.510 1.395 21 H SER 3 H SER 3 -4.413 -2.599 4.606 22 HA SER 3 HA SER 3 -6.602 -4.003 3.548 23 1HB SER 3 2HB SER 3 -5.870 -3.544 6.032 24 2HB SER 3 1HB SER 3 -6.946 -2.155 5.880 25 HG SER 3 HG SER 3 -8.602 -3.634 5.265 26 H THR 4 H THR 4 -5.842 -0.603 3.630 27 HA THR 4 HA THR 4 -8.519 0.074 2.649 28 HB THR 4 HB THR 4 -7.369 2.470 2.853 29 HG1 THR 4 1HG THR 4 -5.695 2.523 4.145 30 1HG2 THR 4 1HG2 THR 4 -9.217 1.157 4.331 31 2HG2 THR 4 2HG2 THR 4 -8.655 2.799 4.649 32 3HG2 THR 4 3HG2 THR 4 -7.953 1.440 5.528 33 H CYS 5 H CYS 5 -5.989 -1.122 1.196 34 HA CYS 5 HA CYS 5 -5.235 0.771 -0.756 35 1HB CYS 5 2HB CYS 5 -3.968 -1.311 -0.233 36 2HB CYS 5 1HB CYS 5 -5.242 -2.243 -1.013 37 H TYR 6 H TYR 6 -5.819 0.861 -2.991 38 HA TYR 6 HA TYR 6 -8.583 -0.027 -3.492 39 1HB TYR 6 2HB TYR 6 -8.599 1.916 -5.156 40 2HB TYR 6 1HB TYR 6 -8.630 2.330 -3.445 41 HD1 TYR 6 1HD TYR 6 -6.627 2.359 -6.512 42 HD2 TYR 6 2HD TYR 6 -6.723 3.395 -2.387 43 HE1 TYR 6 1HE TYR 6 -4.647 3.783 -6.829 44 HE2 TYR 6 2HE TYR 6 -4.745 4.821 -2.693 45 HH TYR 6 HH TYR 6 -2.882 5.089 -4.199 46 H LEU 7 H LEU 7 -5.433 0.555 -5.012 47 HA LEU 7 HA LEU 7 -6.174 -0.683 -7.483 48 1HB LEU 7 2HB LEU 7 -3.750 -0.540 -7.998 49 2HB LEU 7 1HB LEU 7 -4.467 0.988 -7.526 50 HG LEU 7 HG LEU 7 -3.526 0.034 -5.129 51 1HD1 LEU 7 1HD1 LEU 7 -1.668 -1.203 -5.329 52 2HD1 LEU 7 2HD1 LEU 7 -1.138 -0.358 -6.784 53 3HD1 LEU 7 3HD1 LEU 7 -2.339 -1.645 -6.899 54 1HD2 LEU 7 1HD2 LEU 7 -2.379 1.966 -5.138 55 2HD2 LEU 7 2HD2 LEU 7 -3.226 2.258 -6.656 56 3HD2 LEU 7 3HD2 LEU 7 -1.587 1.607 -6.672 57 HA PRO 8 HA PRO 8 -5.486 -4.916 -6.429 58 1HB PRO 8 2HB PRO 8 -4.830 -5.931 -8.856 59 2HB PRO 8 1HB PRO 8 -6.476 -5.443 -8.437 60 1HG PRO 8 2HG PRO 8 -4.396 -3.954 -9.995 61 2HG PRO 8 1HG PRO 8 -6.129 -4.133 -10.329 62 1HD PRO 8 2HD PRO 8 -5.086 -1.909 -9.188 63 2HD PRO 8 1HD PRO 8 -6.718 -2.499 -8.814 64 H LYS 9 H LYS 9 -3.762 -6.730 -7.368 65 HA LYS 9 HA LYS 9 -1.642 -7.521 -7.149 66 1HB LYS 9 2HB LYS 9 -1.273 -4.861 -8.427 67 2HB LYS 9 1HB LYS 9 0.159 -5.650 -7.779 68 1HG LYS 9 2HG LYS 9 0.029 -6.258 -10.053 69 2HG LYS 9 1HG LYS 9 -0.480 -7.674 -9.131 70 1HD LYS 9 2HD LYS 9 -2.857 -6.437 -9.499 71 2HD LYS 9 1HD LYS 9 -2.011 -5.957 -10.971 72 1HE LYS 9 2HE LYS 9 -1.383 -8.521 -11.024 73 2HE LYS 9 1HE LYS 9 -2.843 -8.660 -10.047 74 1HZ LYS 9 1HZ LYS 9 -4.111 -7.626 -11.773 75 2HZ LYS 9 2HZ LYS 9 -3.236 -8.903 -12.456 76 3HZ LYS 9 3HZ LYS 9 -2.724 -7.308 -12.687 77 H CYS 10 H CYS 10 -2.951 -6.287 -4.864 78 HA CYS 10 HA CYS 10 -0.548 -5.729 -3.272 79 1HB CYS 10 2HB CYS 10 -2.673 -3.881 -3.829 80 2HB CYS 10 1HB CYS 10 -2.675 -4.263 -2.111 81 H ALA 11 H ALA 11 -0.904 -6.055 -0.930 82 HA ALA 11 HA ALA 11 -1.519 -7.364 0.827 83 1HB ALA 11 1HB ALA 11 -3.717 -7.341 1.361 84 2HB ALA 11 2HB ALA 11 -4.222 -7.912 -0.229 85 3HB ALA 11 3HB ALA 11 -3.797 -6.216 0.005 86 H ALA 12 H ALA 12 -0.037 -8.981 0.023 87 HA ALA 12 HA ALA 12 -1.366 -11.318 -1.180 88 1HB ALA 12 1HB ALA 12 0.435 -10.528 -2.553 89 2HB ALA 12 2HB ALA 12 0.927 -12.047 -1.808 90 3HB ALA 12 3HB ALA 12 1.540 -10.518 -1.179 91 H ALA 13 H ALA 13 0.553 -10.187 1.512 92 HA ALA 13 HA ALA 13 0.021 -12.715 2.894 93 1HB ALA 13 1HB ALA 13 2.455 -12.228 3.894 94 2HB ALA 13 2HB ALA 13 2.676 -11.575 2.270 95 3HB ALA 13 3HB ALA 13 2.182 -13.254 2.486 96 H ALA 14 H ALA 14 -1.173 -10.060 3.047 97 HA ALA 14 HA ALA 14 -1.915 -8.584 4.610 98 1HB ALA 14 1HB ALA 14 -2.021 -10.921 5.827 99 2HB ALA 14 2HB ALA 14 -2.355 -9.420 6.690 100 3HB ALA 14 3HB ALA 14 -0.775 -10.189 6.837 101 H ASN 15 H ASN 15 0.784 -8.301 3.530 102 HA ASN 15 HA ASN 15 2.256 -7.115 5.764 103 1HB ASN 15 2HB ASN 15 3.174 -8.635 3.737 104 2HB ASN 15 1HB ASN 15 3.381 -7.040 3.019 105 1HD2 ASN 15 1HD2 ASN 15 5.410 -6.447 3.209 106 2HD2 ASN 15 2HD2 ASN 15 6.395 -6.618 4.617 107 H VAL 16 H VAL 16 2.117 -5.016 6.167 108 HA VAL 16 HA VAL 16 0.654 -3.249 4.480 109 HB VAL 16 HB VAL 16 0.678 -2.986 6.923 110 1HG1 VAL 16 1HG1 VAL 16 3.415 -1.806 6.802 111 2HG1 VAL 16 2HG1 VAL 16 3.227 -3.551 6.969 112 3HG1 VAL 16 3HG1 VAL 16 2.536 -2.470 8.178 113 1HG2 VAL 16 1HG2 VAL 16 0.083 -1.063 5.601 114 2HG2 VAL 16 2HG2 VAL 16 1.782 -0.641 5.381 115 3HG2 VAL 16 3HG2 VAL 16 1.046 -0.534 6.982 116 H ALA 17 H ALA 17 4.089 -3.721 5.162 117 HA ALA 17 HA ALA 17 5.099 -1.483 3.834 118 1HB ALA 17 1HB ALA 17 6.751 -2.488 5.026 119 2HB ALA 17 2HB ALA 17 7.100 -3.199 3.450 120 3HB ALA 17 3HB ALA 17 6.186 -4.116 4.649 121 H ALA 18 H ALA 18 4.404 -4.742 2.615 122 HA ALA 18 HA ALA 18 5.355 -4.402 0.010 123 1HB ALA 18 1HB ALA 18 2.934 -6.066 0.399 124 2HB ALA 18 2HB ALA 18 4.370 -6.491 1.330 125 3HB ALA 18 3HB ALA 18 4.445 -6.436 -0.431 126 H HIS 19 H HIS 19 2.596 -3.060 1.543 127 HA HIS 19 HA HIS 19 1.187 -2.544 -0.940 128 1HB HIS 19 2HB HIS 19 -0.357 -2.957 0.732 129 2HB HIS 19 1HB HIS 19 0.610 -2.164 1.968 130 HD2 HIS 19 2HD HIS 19 -0.523 0.102 2.773 131 HE1 HIS 19 1HE HIS 19 -2.494 1.079 -0.842 132 HE2 HIS 19 2HE HIS 19 -2.217 1.681 1.605 133 H ILE 20 H ILE 20 2.211 -0.430 1.747 134 HA ILE 20 HA ILE 20 2.080 1.953 0.296 135 HB ILE 20 HB ILE 20 2.155 1.866 2.750 136 1HG1 ILE 20 2HG1 ILE 20 4.558 3.485 2.126 137 2HG1 ILE 20 1HG1 ILE 20 3.128 3.813 1.153 138 1HG2 ILE 20 1HG2 ILE 20 3.766 0.146 3.130 139 2HG2 ILE 20 2HG2 ILE 20 4.379 1.630 3.860 140 3HG2 ILE 20 3HG2 ILE 20 5.028 1.073 2.318 141 1HD1 ILE 20 1HD1 ILE 20 2.068 4.819 2.843 142 2HD1 ILE 20 2HD1 ILE 20 3.681 4.963 3.541 143 3HD1 ILE 20 3HD1 ILE 20 2.623 3.639 4.029 144 H THR 21 H THR 21 4.487 -0.518 0.252 145 HA THR 21 HA THR 21 6.817 0.812 -0.340 146 HB THR 21 HB THR 21 6.757 -1.598 -0.116 147 HG1 THR 21 1HG THR 21 8.348 -1.858 -1.467 148 1HG2 THR 21 1HG2 THR 21 5.669 -3.079 -1.454 149 2HG2 THR 21 2HG2 THR 21 5.670 -1.996 -2.847 150 3HG2 THR 21 3HG2 THR 21 4.539 -1.727 -1.520 151 H HIS 22 H HIS 22 4.244 -0.089 -2.622 152 HA HIS 22 HA HIS 22 5.475 1.707 -4.603 153 1HB HIS 22 2HB HIS 22 4.246 0.460 -6.308 154 2HB HIS 22 1HB HIS 22 5.233 -0.630 -5.341 155 HD1 HIS 22 1HD HIS 22 4.048 -2.496 -4.134 156 HD2 HIS 22 2HD HIS 22 1.428 0.295 -5.749 157 HE1 HIS 22 1HE HIS 22 1.756 -3.496 -3.872 158 HE2 HIS 22 2HE HIS 22 0.197 -1.833 -4.943 159 H CYS 23 H CYS 23 2.584 1.011 -2.784 160 HA CYS 23 HA CYS 23 0.925 2.865 -4.223 161 1HB CYS 23 2HB CYS 23 0.590 1.269 -1.695 162 2HB CYS 23 1HB CYS 23 -0.587 2.492 -2.157 163 H TYR 24 H TYR 24 0.532 4.962 -3.787 164 HA TYR 24 HA TYR 24 1.384 6.116 -1.255 165 1HB TYR 24 2HB TYR 24 2.694 6.640 -3.872 166 2HB TYR 24 1HB TYR 24 2.413 8.026 -2.825 167 HD1 TYR 24 1HD TYR 24 2.996 7.281 -0.197 168 HD2 TYR 24 2HD TYR 24 4.852 5.858 -3.750 169 HE1 TYR 24 1HE TYR 24 5.015 6.722 1.090 170 HE2 TYR 24 2HE TYR 24 6.876 5.294 -2.475 171 HH TYR 24 HH TYR 24 6.949 5.300 0.956 172 H LYS 25 H LYS 25 0.379 7.201 -4.504 173 HA LYS 25 HA LYS 25 -2.212 7.972 -3.741 174 1HB LYS 25 2HB LYS 25 -1.932 10.440 -3.797 175 2HB LYS 25 1HB LYS 25 -1.158 9.686 -2.410 176 1HG LYS 25 2HG LYS 25 1.006 9.839 -3.534 177 2HG LYS 25 1HG LYS 25 0.227 10.597 -4.924 178 1HD LYS 25 2HD LYS 25 -0.120 12.576 -3.823 179 2HD LYS 25 1HD LYS 25 -0.190 11.805 -2.237 180 1HE LYS 25 2HE LYS 25 2.338 12.011 -3.858 181 2HE LYS 25 1HE LYS 25 1.844 13.233 -2.688 182 1HZ LYS 25 1HZ LYS 25 1.982 11.663 -0.936 183 2HZ LYS 25 2HZ LYS 25 3.414 11.520 -1.825 184 3HZ LYS 25 3HZ LYS 25 2.188 10.368 -2.005 Start of MODEL 16 1 1H PHE 1 1HT PHE 1 -2.891 2.601 5.212 2 2H PHE 1 2HT PHE 1 -4.361 1.896 4.673 3 3H PHE 1 3HT PHE 1 -3.119 2.265 3.546 4 HA PHE 1 HA PHE 1 -1.679 0.690 4.706 5 1HB PHE 1 2HB PHE 1 -4.270 -0.137 6.031 6 2HB PHE 1 1HB PHE 1 -2.675 -0.836 6.291 7 HD1 PHE 1 1HD PHE 1 -5.043 1.523 7.437 8 HD2 PHE 1 2HD PHE 1 -0.862 0.761 7.219 9 HE1 PHE 1 1HE PHE 1 -4.663 3.096 9.290 10 HE2 PHE 1 2HE PHE 1 -0.475 2.332 9.072 11 HZ PHE 1 HZ PHE 1 -2.378 3.503 10.110 12 H VAL 2 H VAL 2 -1.879 -1.716 4.224 13 HA VAL 2 HA VAL 2 -2.678 -2.086 1.576 14 HB VAL 2 HB VAL 2 -0.993 -3.493 2.679 15 1HG1 VAL 2 1HG1 VAL 2 -1.604 -5.251 4.208 16 2HG1 VAL 2 2HG1 VAL 2 -3.309 -4.814 4.086 17 3HG1 VAL 2 3HG1 VAL 2 -2.166 -3.706 4.847 18 1HG2 VAL 2 1HG2 VAL 2 -2.048 -4.292 0.636 19 2HG2 VAL 2 2HG2 VAL 2 -3.335 -5.044 1.578 20 3HG2 VAL 2 3HG2 VAL 2 -1.680 -5.640 1.712 21 H SER 3 H SER 3 -4.379 -2.682 4.588 22 HA SER 3 HA SER 3 -6.495 -4.222 3.538 23 1HB SER 3 2HB SER 3 -5.763 -3.631 6.032 24 2HB SER 3 1HB SER 3 -7.007 -2.396 5.839 25 HG SER 3 HG SER 3 -7.551 -4.682 6.615 26 H THR 4 H THR 4 -5.883 -0.791 3.618 27 HA THR 4 HA THR 4 -8.554 -0.277 2.501 28 HB THR 4 HB THR 4 -6.634 1.826 3.478 29 HG1 THR 4 1HG THR 4 -7.551 1.651 5.486 30 1HG2 THR 4 1HG2 THR 4 -9.449 1.773 2.653 31 2HG2 THR 4 2HG2 THR 4 -8.274 3.088 2.624 32 3HG2 THR 4 3HG2 THR 4 -9.104 2.679 4.126 33 H CYS 5 H CYS 5 -6.114 -1.330 1.085 34 HA CYS 5 HA CYS 5 -5.058 0.696 -0.574 35 1HB CYS 5 2HB CYS 5 -3.974 -1.493 -0.284 36 2HB CYS 5 1HB CYS 5 -5.317 -2.270 -1.117 37 H TYR 6 H TYR 6 -5.453 1.030 -2.854 38 HA TYR 6 HA TYR 6 -8.288 0.628 -3.541 39 1HB TYR 6 2HB TYR 6 -7.907 2.597 -5.097 40 2HB TYR 6 1HB TYR 6 -7.858 2.959 -3.375 41 HD1 TYR 6 1HD TYR 6 -6.001 2.930 -6.483 42 HD2 TYR 6 2HD TYR 6 -5.665 3.355 -2.263 43 HE1 TYR 6 1HE TYR 6 -3.781 3.948 -6.768 44 HE2 TYR 6 2HE TYR 6 -3.445 4.376 -2.537 45 HH TYR 6 HH TYR 6 -1.558 4.152 -4.602 46 H LEU 7 H LEU 7 -5.040 0.791 -4.988 47 HA LEU 7 HA LEU 7 -5.937 -0.357 -7.461 48 1HB LEU 7 2HB LEU 7 -3.553 -0.365 -8.065 49 2HB LEU 7 1HB LEU 7 -4.099 1.200 -7.493 50 HG LEU 7 HG LEU 7 -3.154 0.165 -5.182 51 1HD1 LEU 7 1HD1 LEU 7 -2.074 -1.745 -5.635 52 2HD1 LEU 7 2HD1 LEU 7 -0.801 -0.687 -6.242 53 3HD1 LEU 7 3HD1 LEU 7 -1.966 -1.396 -7.360 54 1HD2 LEU 7 1HD2 LEU 7 -2.295 2.210 -5.558 55 2HD2 LEU 7 2HD2 LEU 7 -2.100 1.928 -7.287 56 3HD2 LEU 7 3HD2 LEU 7 -0.902 1.307 -6.151 57 HA PRO 8 HA PRO 8 -5.883 -4.609 -6.086 58 1HB PRO 8 2HB PRO 8 -5.470 -5.121 -8.986 59 2HB PRO 8 1HB PRO 8 -6.690 -5.777 -7.889 60 1HG PRO 8 2HG PRO 8 -7.333 -3.915 -9.681 61 2HG PRO 8 1HG PRO 8 -8.041 -3.901 -8.054 62 1HD PRO 8 2HD PRO 8 -5.868 -2.194 -9.192 63 2HD PRO 8 1HD PRO 8 -7.172 -1.762 -8.067 64 H LYS 9 H LYS 9 -4.510 -6.637 -7.196 65 HA LYS 9 HA LYS 9 -2.477 -7.655 -7.215 66 1HB LYS 9 2HB LYS 9 -2.359 -5.843 -9.169 67 2HB LYS 9 1HB LYS 9 -1.102 -5.180 -8.134 68 1HG LYS 9 2HG LYS 9 0.325 -6.882 -8.541 69 2HG LYS 9 1HG LYS 9 -0.965 -8.079 -8.675 70 1HD LYS 9 2HD LYS 9 -1.468 -6.538 -10.846 71 2HD LYS 9 1HD LYS 9 0.289 -6.401 -10.743 72 1HE LYS 9 2HE LYS 9 0.622 -8.570 -11.282 73 2HE LYS 9 1HE LYS 9 -0.808 -9.115 -10.406 74 1HZ LYS 9 1HZ LYS 9 -2.123 -8.867 -12.212 75 2HZ LYS 9 2HZ LYS 9 -0.668 -9.117 -13.036 76 3HZ LYS 9 3HZ LYS 9 -1.259 -7.548 -12.822 77 H CYS 10 H CYS 10 -3.318 -6.216 -4.833 78 HA CYS 10 HA CYS 10 -0.666 -5.746 -3.644 79 1HB CYS 10 2HB CYS 10 -2.678 -3.839 -3.924 80 2HB CYS 10 1HB CYS 10 -2.813 -4.364 -2.250 81 H ALA 11 H ALA 11 -0.739 -5.969 -1.201 82 HA ALA 11 HA ALA 11 -1.045 -7.287 0.629 83 1HB ALA 11 1HB ALA 11 -3.785 -8.094 -0.124 84 2HB ALA 11 2HB ALA 11 -3.491 -6.363 0.037 85 3HB ALA 11 3HB ALA 11 -3.168 -7.442 1.394 86 H ALA 12 H ALA 12 0.397 -8.909 0.081 87 HA ALA 12 HA ALA 12 -0.740 -11.279 -1.246 88 1HB ALA 12 1HB ALA 12 1.449 -9.951 -2.021 89 2HB ALA 12 2HB ALA 12 1.254 -11.691 -2.240 90 3HB ALA 12 3HB ALA 12 2.186 -11.073 -0.877 91 H ALA 13 H ALA 13 0.900 -10.102 1.605 92 HA ALA 13 HA ALA 13 0.350 -12.662 2.921 93 1HB ALA 13 1HB ALA 13 2.573 -12.479 4.088 94 2HB ALA 13 2HB ALA 13 3.006 -11.245 2.905 95 3HB ALA 13 3HB ALA 13 2.648 -12.888 2.374 96 H ALA 14 H ALA 14 -0.949 -10.046 2.984 97 HA ALA 14 HA ALA 14 -1.879 -8.614 4.487 98 1HB ALA 14 1HB ALA 14 -0.851 -10.430 6.652 99 2HB ALA 14 2HB ALA 14 -2.243 -10.838 5.647 100 3HB ALA 14 3HB ALA 14 -2.285 -9.403 6.673 101 H ASN 15 H ASN 15 0.891 -8.226 3.656 102 HA ASN 15 HA ASN 15 2.091 -6.990 6.028 103 1HB ASN 15 2HB ASN 15 3.136 -7.974 3.422 104 2HB ASN 15 1HB ASN 15 3.964 -6.603 4.154 105 1HD2 ASN 15 1HD2 ASN 15 5.716 -7.279 5.141 106 2HD2 ASN 15 2HD2 ASN 15 5.848 -8.684 6.138 107 H VAL 16 H VAL 16 2.019 -4.865 6.345 108 HA VAL 16 HA VAL 16 0.594 -3.158 4.577 109 HB VAL 16 HB VAL 16 0.615 -2.806 7.013 110 1HG1 VAL 16 1HG1 VAL 16 3.339 -1.606 6.853 111 2HG1 VAL 16 2HG1 VAL 16 3.175 -3.349 7.067 112 3HG1 VAL 16 3HG1 VAL 16 2.469 -2.244 8.247 113 1HG2 VAL 16 1HG2 VAL 16 -0.077 -0.828 6.201 114 2HG2 VAL 16 2HG2 VAL 16 1.248 -0.725 5.042 115 3HG2 VAL 16 3HG2 VAL 16 1.508 -0.257 6.722 116 H ALA 17 H ALA 17 4.022 -3.634 5.280 117 HA ALA 17 HA ALA 17 5.054 -1.449 3.879 118 1HB ALA 17 1HB ALA 17 6.147 -3.409 5.368 119 2HB ALA 17 2HB ALA 17 7.081 -2.337 4.324 120 3HB ALA 17 3HB ALA 17 6.623 -3.942 3.756 121 H ALA 18 H ALA 18 4.334 -4.742 2.770 122 HA ALA 18 HA ALA 18 5.291 -4.504 0.159 123 1HB ALA 18 1HB ALA 18 2.853 -6.123 0.536 124 2HB ALA 18 2HB ALA 18 4.221 -6.517 1.576 125 3HB ALA 18 3HB ALA 18 4.406 -6.556 -0.177 126 H HIS 19 H HIS 19 2.540 -3.080 1.635 127 HA HIS 19 HA HIS 19 1.142 -2.636 -0.867 128 1HB HIS 19 2HB HIS 19 -0.405 -2.966 0.819 129 2HB HIS 19 1HB HIS 19 0.570 -2.136 2.023 130 HD2 HIS 19 2HD HIS 19 -0.556 0.161 2.745 131 HE1 HIS 19 1HE HIS 19 -2.480 1.039 -0.921 132 HE2 HIS 19 2HE HIS 19 -2.221 1.719 1.508 133 H ILE 20 H ILE 20 2.196 -0.435 1.738 134 HA ILE 20 HA ILE 20 2.096 1.891 0.194 135 HB ILE 20 HB ILE 20 2.157 1.913 2.644 136 1HG1 ILE 20 2HG1 ILE 20 4.606 3.431 1.854 137 2HG1 ILE 20 1HG1 ILE 20 3.090 3.806 1.039 138 1HG2 ILE 20 1HG2 ILE 20 4.704 0.544 2.192 139 2HG2 ILE 20 2HG2 ILE 20 3.618 0.498 3.581 140 3HG2 ILE 20 3HG2 ILE 20 4.770 1.821 3.406 141 1HD1 ILE 20 1HD1 ILE 20 2.946 3.668 3.970 142 2HD1 ILE 20 2HD1 ILE 20 2.226 4.819 2.844 143 3HD1 ILE 20 3HD1 ILE 20 3.919 4.981 3.309 144 H THR 21 H THR 21 4.487 -0.602 0.280 145 HA THR 21 HA THR 21 6.830 0.671 -0.360 146 HB THR 21 HB THR 21 6.731 -1.731 -0.045 147 HG1 THR 21 1HG THR 21 8.443 -0.961 -1.319 148 1HG2 THR 21 1HG2 THR 21 5.644 -3.246 -1.348 149 2HG2 THR 21 2HG2 THR 21 5.663 -2.205 -2.771 150 3HG2 THR 21 3HG2 THR 21 4.528 -1.885 -1.460 151 H HIS 22 H HIS 22 4.256 -0.284 -2.619 152 HA HIS 22 HA HIS 22 5.518 1.416 -4.664 153 1HB HIS 22 2HB HIS 22 4.265 0.123 -6.320 154 2HB HIS 22 1HB HIS 22 5.242 -0.941 -5.314 155 HD1 HIS 22 1HD HIS 22 4.032 -2.701 -3.953 156 HD2 HIS 22 2HD HIS 22 1.455 -0.031 -5.823 157 HE1 HIS 22 1HE HIS 22 1.731 -3.673 -3.664 158 HE2 HIS 22 2HE HIS 22 0.199 -2.088 -4.885 159 H CYS 23 H CYS 23 2.629 0.854 -2.807 160 HA CYS 23 HA CYS 23 1.002 2.683 -4.325 161 1HB CYS 23 2HB CYS 23 0.614 1.185 -1.743 162 2HB CYS 23 1HB CYS 23 -0.548 2.386 -2.292 163 H TYR 24 H TYR 24 0.581 4.788 -3.908 164 HA TYR 24 HA TYR 24 1.359 6.008 -1.407 165 1HB TYR 24 2HB TYR 24 2.910 6.376 -3.920 166 2HB TYR 24 1HB TYR 24 2.631 7.801 -2.924 167 HD1 TYR 24 1HD TYR 24 3.086 7.324 -0.304 168 HD2 TYR 24 2HD TYR 24 4.869 5.229 -3.550 169 HE1 TYR 24 1HE TYR 24 4.960 6.677 1.150 170 HE2 TYR 24 2HE TYR 24 6.748 4.576 -2.104 171 HH TYR 24 HH TYR 24 7.152 4.275 0.368 172 H LYS 25 H LYS 25 0.434 6.696 -4.776 173 HA LYS 25 HA LYS 25 -2.041 7.835 -4.107 174 1HB LYS 25 2HB LYS 25 -1.614 10.200 -4.534 175 2HB LYS 25 1HB LYS 25 -0.668 9.640 -3.162 176 1HG LYS 25 2HG LYS 25 1.251 9.343 -4.799 177 2HG LYS 25 1HG LYS 25 0.274 10.272 -5.939 178 1HD LYS 25 2HD LYS 25 1.368 12.020 -5.010 179 2HD LYS 25 1HD LYS 25 0.107 11.870 -3.783 180 1HE LYS 25 2HE LYS 25 2.557 10.223 -3.463 181 2HE LYS 25 1HE LYS 25 2.691 11.955 -3.164 182 1HZ LYS 25 1HZ LYS 25 1.100 9.944 -1.722 183 2HZ LYS 25 2HZ LYS 25 0.601 11.560 -1.718 184 3HZ LYS 25 3HZ LYS 25 2.122 11.144 -1.107 Start of MODEL 17 1 1H PHE 1 1HT PHE 1 -2.818 2.129 4.636 2 2H PHE 1 2HT PHE 1 -1.422 1.533 3.835 3 3H PHE 1 3HT PHE 1 -1.360 1.904 5.510 4 HA PHE 1 HA PHE 1 -1.493 -0.377 5.392 5 1HB PHE 1 2HB PHE 1 -4.326 0.605 5.784 6 2HB PHE 1 1HB PHE 1 -3.567 -0.792 6.540 7 HD1 PHE 1 1HD PHE 1 -4.292 2.678 6.826 8 HD2 PHE 1 2HD PHE 1 -1.597 -0.357 8.106 9 HE1 PHE 1 1HE PHE 1 -3.621 4.083 8.732 10 HE2 PHE 1 2HE PHE 1 -0.921 1.042 10.015 11 HZ PHE 1 HZ PHE 1 -1.934 3.265 10.329 12 H VAL 2 H VAL 2 -1.815 -2.149 4.183 13 HA VAL 2 HA VAL 2 -2.720 -1.990 1.545 14 HB VAL 2 HB VAL 2 -1.190 -3.743 2.327 15 1HG1 VAL 2 1HG1 VAL 2 -3.466 -5.290 3.471 16 2HG1 VAL 2 2HG1 VAL 2 -2.666 -4.072 4.466 17 3HG1 VAL 2 3HG1 VAL 2 -1.738 -5.416 3.801 18 1HG2 VAL 2 1HG2 VAL 2 -1.946 -5.430 0.898 19 2HG2 VAL 2 2HG2 VAL 2 -2.729 -3.972 0.287 20 3HG2 VAL 2 3HG2 VAL 2 -3.641 -5.115 1.274 21 H SER 3 H SER 3 -4.413 -2.720 4.509 22 HA SER 3 HA SER 3 -6.704 -3.937 3.453 23 1HB SER 3 2HB SER 3 -6.055 -2.481 5.974 24 2HB SER 3 1HB SER 3 -7.755 -2.756 5.595 25 HG SER 3 HG SER 3 -7.084 -5.024 5.279 26 H THR 4 H THR 4 -5.714 -0.600 3.578 27 HA THR 4 HA THR 4 -8.348 0.286 2.656 28 HB THR 4 HB THR 4 -5.976 2.036 3.292 29 HG1 THR 4 1HG THR 4 -6.359 1.788 5.334 30 1HG2 THR 4 1HG2 THR 4 -8.665 2.560 2.465 31 2HG2 THR 4 2HG2 THR 4 -7.333 3.684 2.730 32 3HG2 THR 4 3HG2 THR 4 -8.380 3.225 4.073 33 H CYS 5 H CYS 5 -5.950 -1.093 1.137 34 HA CYS 5 HA CYS 5 -5.111 0.744 -0.835 35 1HB CYS 5 2HB CYS 5 -4.012 -1.453 -0.320 36 2HB CYS 5 1HB CYS 5 -5.353 -2.255 -1.131 37 H TYR 6 H TYR 6 -5.872 1.176 -2.888 38 HA TYR 6 HA TYR 6 -8.576 0.169 -3.489 39 1HB TYR 6 2HB TYR 6 -9.013 2.342 -4.593 40 2HB TYR 6 1HB TYR 6 -8.678 2.517 -2.873 41 HD1 TYR 6 1HD TYR 6 -7.583 3.315 -6.239 42 HD2 TYR 6 2HD TYR 6 -6.497 3.430 -2.128 43 HE1 TYR 6 1HE TYR 6 -5.816 4.944 -6.758 44 HE2 TYR 6 2HE TYR 6 -4.727 5.060 -2.634 45 HH TYR 6 HH TYR 6 -3.349 5.550 -5.171 46 H LEU 7 H LEU 7 -5.968 -0.901 -4.340 47 HA LEU 7 HA LEU 7 -6.546 -1.017 -7.178 48 1HB LEU 7 2HB LEU 7 -4.191 -0.567 -7.799 49 2HB LEU 7 1HB LEU 7 -5.025 0.832 -7.152 50 HG LEU 7 HG LEU 7 -3.395 -0.825 -5.287 51 1HD1 LEU 7 1HD1 LEU 7 -1.387 -0.259 -6.098 52 2HD1 LEU 7 2HD1 LEU 7 -1.925 1.353 -6.572 53 3HD1 LEU 7 3HD1 LEU 7 -2.243 -0.028 -7.623 54 1HD2 LEU 7 1HD2 LEU 7 -3.466 2.150 -5.403 55 2HD2 LEU 7 2HD2 LEU 7 -3.327 1.077 -4.010 56 3HD2 LEU 7 3HD2 LEU 7 -4.884 1.283 -4.813 57 HA PRO 8 HA PRO 8 -5.290 -5.208 -6.645 58 1HB PRO 8 2HB PRO 8 -4.342 -5.828 -9.111 59 2HB PRO 8 1HB PRO 8 -6.062 -5.608 -8.773 60 1HG PRO 8 2HG PRO 8 -4.108 -3.687 -9.980 61 2HG PRO 8 1HG PRO 8 -5.776 -4.042 -10.469 62 1HD PRO 8 2HD PRO 8 -5.120 -1.861 -9.006 63 2HD PRO 8 1HD PRO 8 -6.676 -2.696 -8.829 64 H LYS 9 H LYS 9 -3.313 -6.705 -7.468 65 HA LYS 9 HA LYS 9 -1.128 -7.249 -7.155 66 1HB LYS 9 2HB LYS 9 -1.087 -5.176 -8.879 67 2HB LYS 9 1HB LYS 9 -0.157 -4.479 -7.559 68 1HG LYS 9 2HG LYS 9 1.562 -5.436 -8.645 69 2HG LYS 9 1HG LYS 9 1.051 -6.868 -7.749 70 1HD LYS 9 2HD LYS 9 0.017 -6.193 -10.496 71 2HD LYS 9 1HD LYS 9 1.446 -7.193 -10.225 72 1HE LYS 9 2HE LYS 9 -0.045 -8.880 -10.254 73 2HE LYS 9 1HE LYS 9 -0.312 -8.404 -8.576 74 1HZ LYS 9 1HZ LYS 9 -2.264 -8.618 -10.356 75 2HZ LYS 9 2HZ LYS 9 -1.876 -6.987 -10.576 76 3HZ LYS 9 3HZ LYS 9 -2.327 -7.549 -9.045 77 H CYS 10 H CYS 10 -2.655 -6.486 -4.885 78 HA CYS 10 HA CYS 10 -0.472 -5.814 -3.083 79 1HB CYS 10 2HB CYS 10 -2.708 -4.021 -3.679 80 2HB CYS 10 1HB CYS 10 -2.525 -4.352 -1.960 81 H ALA 11 H ALA 11 -1.118 -6.149 -0.772 82 HA ALA 11 HA ALA 11 -1.909 -7.504 0.876 83 1HB ALA 11 1HB ALA 11 -4.439 -8.093 -0.541 84 2HB ALA 11 2HB ALA 11 -4.094 -6.399 -0.190 85 3HB ALA 11 3HB ALA 11 -4.162 -7.576 1.122 86 H ALA 12 H ALA 12 -0.236 -9.010 0.080 87 HA ALA 12 HA ALA 12 -1.396 -11.416 -1.163 88 1HB ALA 12 1HB ALA 12 0.713 -10.046 -2.076 89 2HB ALA 12 2HB ALA 12 0.539 -11.790 -2.276 90 3HB ALA 12 3HB ALA 12 1.541 -11.147 -0.975 91 H ALA 13 H ALA 13 0.388 -10.176 1.572 92 HA ALA 13 HA ALA 13 -0.100 -12.680 2.989 93 1HB ALA 13 1HB ALA 13 2.278 -12.520 3.924 94 2HB ALA 13 2HB ALA 13 2.614 -11.483 2.538 95 3HB ALA 13 3HB ALA 13 2.081 -13.146 2.288 96 H ALA 14 H ALA 14 -1.218 -9.989 3.113 97 HA ALA 14 HA ALA 14 -1.887 -8.465 4.665 98 1HB ALA 14 1HB ALA 14 -2.495 -10.341 6.011 99 2HB ALA 14 2HB ALA 14 -1.719 -9.154 7.060 100 3HB ALA 14 3HB ALA 14 -0.826 -10.580 6.530 101 H ASN 15 H ASN 15 0.786 -8.268 3.510 102 HA ASN 15 HA ASN 15 2.354 -7.087 5.678 103 1HB ASN 15 2HB ASN 15 3.272 -8.669 3.808 104 2HB ASN 15 1HB ASN 15 3.268 -7.209 2.823 105 1HD2 ASN 15 1HD2 ASN 15 5.131 -9.083 4.727 106 2HD2 ASN 15 2HD2 ASN 15 6.302 -7.922 5.241 107 H VAL 16 H VAL 16 1.967 -5.027 6.129 108 HA VAL 16 HA VAL 16 0.606 -3.244 4.418 109 HB VAL 16 HB VAL 16 0.608 -2.988 6.862 110 1HG1 VAL 16 1HG1 VAL 16 2.545 -2.066 8.021 111 2HG1 VAL 16 2HG1 VAL 16 3.480 -2.130 6.527 112 3HG1 VAL 16 3HG1 VAL 16 2.930 -3.622 7.287 113 1HG2 VAL 16 1HG2 VAL 16 0.454 -0.692 6.847 114 2HG2 VAL 16 2HG2 VAL 16 0.373 -1.047 5.121 115 3HG2 VAL 16 3HG2 VAL 16 1.886 -0.494 5.838 116 H ALA 17 H ALA 17 4.036 -3.712 5.130 117 HA ALA 17 HA ALA 17 5.054 -1.469 3.815 118 1HB ALA 17 1HB ALA 17 6.298 -3.083 5.315 119 2HB ALA 17 2HB ALA 17 7.163 -2.532 3.881 120 3HB ALA 17 3HB ALA 17 6.436 -4.138 3.908 121 H ALA 18 H ALA 18 4.411 -4.737 2.582 122 HA ALA 18 HA ALA 18 5.373 -4.383 -0.012 123 1HB ALA 18 1HB ALA 18 3.707 -6.214 -0.591 124 2HB ALA 18 2HB ALA 18 3.232 -6.169 1.107 125 3HB ALA 18 3HB ALA 18 4.889 -6.581 0.665 126 H HIS 19 H HIS 19 2.579 -3.080 1.499 127 HA HIS 19 HA HIS 19 1.194 -2.558 -0.996 128 1HB HIS 19 2HB HIS 19 -0.363 -2.996 0.657 129 2HB HIS 19 1HB HIS 19 0.584 -2.206 1.909 130 HD2 HIS 19 2HD HIS 19 -0.562 0.056 2.714 131 HE1 HIS 19 1HE HIS 19 -2.530 1.025 -0.905 132 HE2 HIS 19 2HE HIS 19 -2.265 1.624 1.544 133 H ILE 20 H ILE 20 2.161 -0.450 1.717 134 HA ILE 20 HA ILE 20 2.020 1.944 0.296 135 HB ILE 20 HB ILE 20 2.103 1.818 2.751 136 1HG1 ILE 20 2HG1 ILE 20 3.703 3.733 3.093 137 2HG1 ILE 20 1HG1 ILE 20 4.231 3.510 1.429 138 1HG2 ILE 20 1HG2 ILE 20 4.144 0.121 2.499 139 2HG2 ILE 20 2HG2 ILE 20 3.863 1.064 3.963 140 3HG2 ILE 20 3HG2 ILE 20 5.053 1.606 2.779 141 1HD1 ILE 20 1HD1 ILE 20 1.848 3.878 0.736 142 2HD1 ILE 20 2HD1 ILE 20 2.663 5.276 1.438 143 3HD1 ILE 20 3HD1 ILE 20 1.518 4.345 2.404 144 H THR 21 H THR 21 4.490 -0.484 0.293 145 HA THR 21 HA THR 21 6.789 0.869 -0.313 146 HB THR 21 HB THR 21 6.749 -1.545 -0.088 147 HG1 THR 21 1HG THR 21 8.475 -1.454 -1.248 148 1HG2 THR 21 1HG2 THR 21 5.702 -3.035 -1.449 149 2HG2 THR 21 2HG2 THR 21 5.706 -1.944 -2.835 150 3HG2 THR 21 3HG2 THR 21 4.554 -1.698 -1.522 151 H HIS 22 H HIS 22 4.233 -0.055 -2.608 152 HA HIS 22 HA HIS 22 5.458 1.757 -4.578 153 1HB HIS 22 2HB HIS 22 4.278 0.490 -6.299 154 2HB HIS 22 1HB HIS 22 5.263 -0.587 -5.315 155 HD1 HIS 22 1HD HIS 22 4.085 -2.475 -4.141 156 HD2 HIS 22 2HD HIS 22 1.452 0.294 -5.773 157 HE1 HIS 22 1HE HIS 22 1.803 -3.505 -3.915 158 HE2 HIS 22 2HE HIS 22 0.238 -1.855 -5.002 159 H CYS 23 H CYS 23 2.557 1.014 -2.793 160 HA CYS 23 HA CYS 23 0.884 2.835 -4.256 161 1HB CYS 23 2HB CYS 23 0.555 1.229 -1.740 162 2HB CYS 23 1HB CYS 23 -0.628 2.453 -2.181 163 H TYR 24 H TYR 24 0.365 4.909 -3.781 164 HA TYR 24 HA TYR 24 1.272 6.094 -1.279 165 1HB TYR 24 2HB TYR 24 2.416 6.697 -3.957 166 2HB TYR 24 1HB TYR 24 2.121 8.062 -2.884 167 HD1 TYR 24 1HD TYR 24 2.814 7.125 -0.265 168 HD2 TYR 24 2HD TYR 24 4.675 6.230 -3.985 169 HE1 TYR 24 1HE TYR 24 4.925 6.660 0.909 170 HE2 TYR 24 2HE TYR 24 6.791 5.761 -2.821 171 HH TYR 24 HH TYR 24 7.693 6.724 -0.186 172 H LYS 25 H LYS 25 0.121 7.243 -4.455 173 HA LYS 25 HA LYS 25 -2.496 7.827 -3.596 174 1HB LYS 25 2HB LYS 25 -2.302 10.338 -3.645 175 2HB LYS 25 1HB LYS 25 -1.586 9.561 -2.240 176 1HG LYS 25 2HG LYS 25 0.564 9.655 -3.837 177 2HG LYS 25 1HG LYS 25 -0.313 11.066 -4.431 178 1HD LYS 25 2HD LYS 25 -0.092 12.203 -2.465 179 2HD LYS 25 1HD LYS 25 -0.072 10.731 -1.491 180 1HE LYS 25 2HE LYS 25 2.188 10.306 -1.995 181 2HE LYS 25 1HE LYS 25 2.193 11.466 -3.323 182 1HZ LYS 25 1HZ LYS 25 1.569 12.513 -0.678 183 2HZ LYS 25 2HZ LYS 25 2.477 13.201 -1.928 184 3HZ LYS 25 3HZ LYS 25 3.168 12.020 -0.934 Start of MODEL 18 1 1H PHE 1 1HT PHE 1 -2.862 3.026 4.805 2 2H PHE 1 2HT PHE 1 -3.719 2.427 3.444 3 3H PHE 1 3HT PHE 1 -2.002 2.436 3.444 4 HA PHE 1 HA PHE 1 -1.859 0.767 4.987 5 1HB PHE 1 2HB PHE 1 -4.610 1.686 5.615 6 2HB PHE 1 1HB PHE 1 -4.290 -0.031 5.844 7 HD1 PHE 1 1HD PHE 1 -2.326 -0.689 7.316 8 HD2 PHE 1 2HD PHE 1 -3.942 3.247 7.208 9 HE1 PHE 1 1HE PHE 1 -1.286 -0.206 9.493 10 HE2 PHE 1 2HE PHE 1 -2.904 3.737 9.385 11 HZ PHE 1 HZ PHE 1 -1.574 2.009 10.529 12 H VAL 2 H VAL 2 -1.879 -1.345 4.333 13 HA VAL 2 HA VAL 2 -2.644 -1.953 1.714 14 HB VAL 2 HB VAL 2 -0.882 -3.178 2.906 15 1HG1 VAL 2 1HG1 VAL 2 -1.466 -4.914 4.537 16 2HG1 VAL 2 2HG1 VAL 2 -3.150 -4.391 4.481 17 3HG1 VAL 2 3HG1 VAL 2 -1.909 -3.304 5.104 18 1HG2 VAL 2 1HG2 VAL 2 -1.445 -5.423 2.116 19 2HG2 VAL 2 2HG2 VAL 2 -1.925 -4.194 0.947 20 3HG2 VAL 2 3HG2 VAL 2 -3.139 -4.953 1.977 21 H SER 3 H SER 3 -4.350 -2.277 4.743 22 HA SER 3 HA SER 3 -6.371 -4.049 3.829 23 1HB SER 3 2HB SER 3 -6.916 -2.080 6.011 24 2HB SER 3 1HB SER 3 -7.334 -3.791 5.914 25 HG SER 3 HG SER 3 -5.477 -2.963 7.340 26 H THR 4 H THR 4 -5.912 -0.604 3.631 27 HA THR 4 HA THR 4 -8.603 -0.316 2.473 28 HB THR 4 HB THR 4 -6.813 1.886 3.511 29 HG1 THR 4 1HG THR 4 -9.029 0.688 4.806 30 1HG2 THR 4 1HG2 THR 4 -8.350 2.955 2.168 31 2HG2 THR 4 2HG2 THR 4 -9.131 2.992 3.749 32 3HG2 THR 4 3HG2 THR 4 -9.634 1.806 2.544 33 H CYS 5 H CYS 5 -6.117 -1.288 1.134 34 HA CYS 5 HA CYS 5 -5.111 0.723 -0.574 35 1HB CYS 5 2HB CYS 5 -3.935 -1.399 -0.208 36 2HB CYS 5 1HB CYS 5 -5.243 -2.271 -1.000 37 H TYR 6 H TYR 6 -5.482 0.969 -2.867 38 HA TYR 6 HA TYR 6 -8.297 0.487 -3.569 39 1HB TYR 6 2HB TYR 6 -7.884 2.348 -5.256 40 2HB TYR 6 1HB TYR 6 -7.885 2.818 -3.560 41 HD1 TYR 6 1HD TYR 6 -5.786 3.423 -2.437 42 HD2 TYR 6 2HD TYR 6 -5.880 2.474 -6.583 43 HE1 TYR 6 1HE TYR 6 -3.562 4.434 -2.712 44 HE2 TYR 6 2HE TYR 6 -3.656 3.482 -6.870 45 HH TYR 6 HH TYR 6 -1.678 4.360 -4.212 46 H LEU 7 H LEU 7 -5.033 0.538 -4.983 47 HA LEU 7 HA LEU 7 -5.914 -0.767 -7.391 48 1HB LEU 7 2HB LEU 7 -3.557 -0.769 -8.013 49 2HB LEU 7 1HB LEU 7 -4.068 0.814 -7.459 50 HG LEU 7 HG LEU 7 -3.094 0.015 -5.162 51 1HD1 LEU 7 1HD1 LEU 7 -2.415 -2.138 -5.366 52 2HD1 LEU 7 2HD1 LEU 7 -0.938 -1.354 -5.925 53 3HD1 LEU 7 3HD1 LEU 7 -2.095 -1.991 -7.093 54 1HD2 LEU 7 1HD2 LEU 7 -2.007 1.841 -5.948 55 2HD2 LEU 7 2HD2 LEU 7 -1.785 1.154 -7.557 56 3HD2 LEU 7 3HD2 LEU 7 -0.734 0.655 -6.232 57 HA PRO 8 HA PRO 8 -5.473 -4.952 -6.054 58 1HB PRO 8 2HB PRO 8 -4.989 -6.184 -8.411 59 2HB PRO 8 1HB PRO 8 -6.572 -5.514 -8.001 60 1HG PRO 8 2HG PRO 8 -4.403 -4.346 -9.703 61 2HG PRO 8 1HG PRO 8 -6.152 -4.385 -9.992 62 1HD PRO 8 2HD PRO 8 -4.864 -2.196 -9.028 63 2HD PRO 8 1HD PRO 8 -6.547 -2.584 -8.617 64 H LYS 9 H LYS 9 -3.912 -6.946 -6.920 65 HA LYS 9 HA LYS 9 -1.846 -7.872 -6.697 66 1HB LYS 9 2HB LYS 9 -1.343 -5.352 -8.195 67 2HB LYS 9 1HB LYS 9 0.056 -6.184 -7.528 68 1HG LYS 9 2HG LYS 9 -0.126 -7.027 -9.685 69 2HG LYS 9 1HG LYS 9 -0.873 -8.273 -8.682 70 1HD LYS 9 2HD LYS 9 -3.070 -6.955 -9.182 71 2HD LYS 9 1HD LYS 9 -2.150 -6.316 -10.545 72 1HE LYS 9 2HE LYS 9 -1.607 -8.762 -11.080 73 2HE LYS 9 1HE LYS 9 -2.911 -9.161 -9.961 74 1HZ LYS 9 1HZ LYS 9 -3.040 -7.997 -12.623 75 2HZ LYS 9 2HZ LYS 9 -4.130 -7.371 -11.490 76 3HZ LYS 9 3HZ LYS 9 -4.128 -9.027 -11.835 77 H CYS 10 H CYS 10 -2.983 -6.360 -4.482 78 HA CYS 10 HA CYS 10 -0.485 -5.774 -3.044 79 1HB CYS 10 2HB CYS 10 -2.717 -4.008 -3.534 80 2HB CYS 10 1HB CYS 10 -2.507 -4.264 -1.806 81 H ALA 11 H ALA 11 -0.680 -6.007 -0.679 82 HA ALA 11 HA ALA 11 -1.171 -7.235 1.173 83 1HB ALA 11 1HB ALA 11 -3.323 -7.168 1.849 84 2HB ALA 11 2HB ALA 11 -3.930 -7.863 0.345 85 3HB ALA 11 3HB ALA 11 -3.518 -6.149 0.422 86 H ALA 12 H ALA 12 -0.012 -8.586 -1.011 87 HA ALA 12 HA ALA 12 -1.266 -11.001 -1.689 88 1HB ALA 12 1HB ALA 12 0.779 -9.940 -2.758 89 2HB ALA 12 2HB ALA 12 0.807 -11.692 -2.559 90 3HB ALA 12 3HB ALA 12 1.709 -10.664 -1.446 91 H ALA 13 H ALA 13 0.572 -10.047 1.123 92 HA ALA 13 HA ALA 13 -0.079 -12.622 2.364 93 1HB ALA 13 1HB ALA 13 2.138 -12.815 3.341 94 2HB ALA 13 2HB ALA 13 2.647 -11.340 2.520 95 3HB ALA 13 3HB ALA 13 2.241 -12.777 1.581 96 H ALA 14 H ALA 14 -1.223 -9.945 2.586 97 HA ALA 14 HA ALA 14 -2.005 -8.526 4.182 98 1HB ALA 14 1HB ALA 14 -2.423 -10.788 5.270 99 2HB ALA 14 2HB ALA 14 -2.387 -9.383 6.336 100 3HB ALA 14 3HB ALA 14 -0.992 -10.459 6.246 101 H ASN 15 H ASN 15 0.748 -8.262 3.246 102 HA ASN 15 HA ASN 15 2.138 -7.222 5.603 103 1HB ASN 15 2HB ASN 15 3.122 -8.671 3.562 104 2HB ASN 15 1HB ASN 15 3.389 -7.055 2.915 105 1HD2 ASN 15 1HD2 ASN 15 5.647 -7.646 3.060 106 2HD2 ASN 15 2HD2 ASN 15 6.479 -7.448 4.562 107 H VAL 16 H VAL 16 1.966 -5.151 6.111 108 HA VAL 16 HA VAL 16 0.623 -3.266 4.485 109 HB VAL 16 HB VAL 16 0.652 -3.102 6.935 110 1HG1 VAL 16 1HG1 VAL 16 3.441 -2.030 6.829 111 2HG1 VAL 16 2HG1 VAL 16 3.157 -3.763 6.999 112 3HG1 VAL 16 3HG1 VAL 16 2.528 -2.643 8.208 113 1HG2 VAL 16 1HG2 VAL 16 0.555 -0.808 7.002 114 2HG2 VAL 16 2HG2 VAL 16 0.479 -1.088 5.262 115 3HG2 VAL 16 3HG2 VAL 16 2.002 -0.611 6.012 116 H ALA 17 H ALA 17 4.049 -3.811 5.198 117 HA ALA 17 HA ALA 17 5.099 -1.565 3.913 118 1HB ALA 17 1HB ALA 17 6.270 -4.305 4.347 119 2HB ALA 17 2HB ALA 17 6.509 -2.860 5.329 120 3HB ALA 17 3HB ALA 17 7.185 -2.943 3.702 121 H ALA 18 H ALA 18 4.422 -4.811 2.646 122 HA ALA 18 HA ALA 18 5.409 -4.440 0.061 123 1HB ALA 18 1HB ALA 18 3.161 -6.195 1.035 124 2HB ALA 18 2HB ALA 18 4.859 -6.637 0.858 125 3HB ALA 18 3HB ALA 18 3.882 -6.296 -0.571 126 H HIS 19 H HIS 19 2.606 -3.144 1.565 127 HA HIS 19 HA HIS 19 1.228 -2.608 -0.925 128 1HB HIS 19 2HB HIS 19 -0.334 -3.006 0.728 129 2HB HIS 19 1HB HIS 19 0.636 -2.240 1.979 130 HD2 HIS 19 2HD HIS 19 -0.456 0.041 2.799 131 HE1 HIS 19 1HE HIS 19 -2.436 1.060 -0.801 132 HE2 HIS 19 2HE HIS 19 -1.860 1.828 1.546 133 H ILE 20 H ILE 20 2.272 -0.501 1.760 134 HA ILE 20 HA ILE 20 2.133 1.894 0.344 135 HB ILE 20 HB ILE 20 2.295 1.776 2.793 136 1HG1 ILE 20 2HG1 ILE 20 4.688 3.372 2.004 137 2HG1 ILE 20 1HG1 ILE 20 3.151 3.760 1.238 138 1HG2 ILE 20 1HG2 ILE 20 4.266 0.018 2.499 139 2HG2 ILE 20 2HG2 ILE 20 4.086 1.000 3.953 140 3HG2 ILE 20 3HG2 ILE 20 5.241 1.473 2.708 141 1HD1 ILE 20 1HD1 ILE 20 3.114 3.486 4.172 142 2HD1 ILE 20 2HD1 ILE 20 2.283 4.635 3.122 143 3HD1 ILE 20 3HD1 ILE 20 3.986 4.872 3.516 144 H THR 21 H THR 21 4.507 -0.598 0.182 145 HA THR 21 HA THR 21 6.799 0.799 -0.519 146 HB THR 21 HB THR 21 6.715 -1.638 -0.109 147 HG1 THR 21 1HG THR 21 8.547 -1.410 -1.095 148 1HG2 THR 21 1HG2 THR 21 5.727 -3.167 -1.430 149 2HG2 THR 21 2HG2 THR 21 5.987 -2.229 -2.901 150 3HG2 THR 21 3HG2 THR 21 4.664 -1.812 -1.811 151 H HIS 22 H HIS 22 3.989 -0.010 -2.477 152 HA HIS 22 HA HIS 22 5.100 1.680 -4.614 153 1HB HIS 22 2HB HIS 22 4.191 0.195 -6.306 154 2HB HIS 22 1HB HIS 22 5.274 -0.705 -5.249 155 HD1 HIS 22 1HD HIS 22 4.273 -2.610 -3.886 156 HD2 HIS 22 2HD HIS 22 1.441 -0.453 -6.028 157 HE1 HIS 22 1HE HIS 22 2.151 -3.950 -3.732 158 HE2 HIS 22 2HE HIS 22 0.485 -2.684 -5.135 159 H CYS 23 H CYS 23 2.926 1.796 -2.351 160 HA CYS 23 HA CYS 23 0.832 2.916 -4.091 161 1HB CYS 23 2HB CYS 23 0.624 1.233 -1.627 162 2HB CYS 23 1HB CYS 23 -0.633 2.412 -1.969 163 H TYR 24 H TYR 24 1.748 4.988 -4.003 164 HA TYR 24 HA TYR 24 1.786 6.261 -1.352 165 1HB TYR 24 2HB TYR 24 3.106 7.096 -3.942 166 2HB TYR 24 1HB TYR 24 3.150 8.033 -2.453 167 HD1 TYR 24 1HD TYR 24 4.162 6.870 -0.377 168 HD2 TYR 24 2HD TYR 24 4.744 5.494 -4.361 169 HE1 TYR 24 1HE TYR 24 6.153 5.625 0.350 170 HE2 TYR 24 2HE TYR 24 6.737 4.244 -3.644 171 HH TYR 24 HH TYR 24 7.430 3.511 -0.538 172 H LYS 25 H LYS 25 1.200 7.367 -4.692 173 HA LYS 25 HA LYS 25 -1.487 8.080 -4.300 174 1HB LYS 25 2HB LYS 25 -1.252 10.549 -4.230 175 2HB LYS 25 1HB LYS 25 -0.663 9.761 -2.773 176 1HG LYS 25 2HG LYS 25 1.564 10.185 -3.293 177 2HG LYS 25 1HG LYS 25 1.208 10.474 -4.997 178 1HD LYS 25 2HD LYS 25 1.688 12.574 -3.896 179 2HD LYS 25 1HD LYS 25 -0.013 12.524 -4.364 180 1HE LYS 25 2HE LYS 25 -0.305 13.241 -2.238 181 2HE LYS 25 1HE LYS 25 -0.210 11.515 -1.892 182 1HZ LYS 25 1HZ LYS 25 1.232 13.126 -0.537 183 2HZ LYS 25 2HZ LYS 25 2.228 13.171 -1.902 184 3HZ LYS 25 3HZ LYS 25 1.943 11.703 -1.113 Start of MODEL 19 1 1H PHE 1 1HT PHE 1 -2.160 2.256 5.293 2 2H PHE 1 2HT PHE 1 -3.594 2.010 4.381 3 3H PHE 1 3HT PHE 1 -2.059 1.868 3.627 4 HA PHE 1 HA PHE 1 -1.556 0.021 5.117 5 1HB PHE 1 2HB PHE 1 -4.516 0.165 5.722 6 2HB PHE 1 1HB PHE 1 -3.343 -0.958 6.403 7 HD1 PHE 1 1HD PHE 1 -5.005 2.153 6.807 8 HD2 PHE 1 2HD PHE 1 -1.449 0.044 7.811 9 HE1 PHE 1 1HE PHE 1 -4.619 3.704 8.677 10 HE2 PHE 1 2HE PHE 1 -1.054 1.590 9.683 11 HZ PHE 1 HZ PHE 1 -2.642 3.423 10.119 12 H VAL 2 H VAL 2 -1.705 -1.995 4.168 13 HA VAL 2 HA VAL 2 -2.518 -2.136 1.499 14 HB VAL 2 HB VAL 2 -0.816 -3.625 2.463 15 1HG1 VAL 2 1HG1 VAL 2 -1.371 -5.473 3.871 16 2HG1 VAL 2 2HG1 VAL 2 -3.093 -5.119 3.749 17 3HG1 VAL 2 3HG1 VAL 2 -2.025 -4.013 4.612 18 1HG2 VAL 2 1HG2 VAL 2 -1.656 -4.363 0.399 19 2HG2 VAL 2 2HG2 VAL 2 -3.187 -4.877 1.108 20 3HG2 VAL 2 3HG2 VAL 2 -1.711 -5.784 1.442 21 H SER 3 H SER 3 -4.218 -2.883 4.459 22 HA SER 3 HA SER 3 -6.316 -4.409 3.363 23 1HB SER 3 2HB SER 3 -5.876 -2.903 5.894 24 2HB SER 3 1HB SER 3 -7.536 -3.330 5.481 25 HG SER 3 HG SER 3 -5.365 -5.155 5.603 26 H THR 4 H THR 4 -5.738 -0.972 3.531 27 HA THR 4 HA THR 4 -8.391 -0.467 2.364 28 HB THR 4 HB THR 4 -7.644 1.995 2.942 29 HG1 THR 4 1HG THR 4 -5.781 1.984 3.897 30 1HG2 THR 4 1HG2 THR 4 -9.311 0.219 4.176 31 2HG2 THR 4 2HG2 THR 4 -9.117 1.919 4.604 32 3HG2 THR 4 3HG2 THR 4 -8.211 0.680 5.474 33 H CYS 5 H CYS 5 -5.951 -1.443 0.957 34 HA CYS 5 HA CYS 5 -4.826 0.649 -0.570 35 1HB CYS 5 2HB CYS 5 -3.760 -1.547 -0.386 36 2HB CYS 5 1HB CYS 5 -5.111 -2.290 -1.236 37 H TYR 6 H TYR 6 -5.163 1.111 -2.833 38 HA TYR 6 HA TYR 6 -8.001 0.969 -3.541 39 1HB TYR 6 2HB TYR 6 -7.394 2.760 -5.202 40 2HB TYR 6 1HB TYR 6 -7.170 3.210 -3.515 41 HD1 TYR 6 1HD TYR 6 -5.505 2.504 -6.688 42 HD2 TYR 6 2HD TYR 6 -4.924 3.484 -2.589 43 HE1 TYR 6 1HE TYR 6 -3.174 3.120 -7.171 44 HE2 TYR 6 2HE TYR 6 -2.592 4.102 -3.061 45 HH TYR 6 HH TYR 6 -0.874 3.222 -5.312 46 H LEU 7 H LEU 7 -4.787 0.479 -4.977 47 HA LEU 7 HA LEU 7 -5.917 -0.704 -7.356 48 1HB LEU 7 2HB LEU 7 -3.589 -1.030 -8.045 49 2HB LEU 7 1HB LEU 7 -3.900 0.623 -7.550 50 HG LEU 7 HG LEU 7 -2.975 -0.295 -5.226 51 1HD1 LEU 7 1HD1 LEU 7 -1.677 -2.127 -5.287 52 2HD1 LEU 7 2HD1 LEU 7 -1.086 -1.783 -6.913 53 3HD1 LEU 7 3HD1 LEU 7 -2.659 -2.546 -6.690 54 1HD2 LEU 7 1HD2 LEU 7 -1.768 1.477 -5.904 55 2HD2 LEU 7 2HD2 LEU 7 -1.737 0.947 -7.585 56 3HD2 LEU 7 3HD2 LEU 7 -0.609 0.252 -6.420 57 HA PRO 8 HA PRO 8 -5.957 -4.850 -5.784 58 1HB PRO 8 2HB PRO 8 -6.195 -6.207 -8.097 59 2HB PRO 8 1HB PRO 8 -7.517 -5.233 -7.443 60 1HG PRO 8 2HG PRO 8 -5.557 -4.558 -9.602 61 2HG PRO 8 1HG PRO 8 -7.306 -4.269 -9.549 62 1HD PRO 8 2HD PRO 8 -5.449 -2.350 -8.989 63 2HD PRO 8 1HD PRO 8 -7.077 -2.368 -8.282 64 H LYS 9 H LYS 9 -4.852 -7.001 -6.189 65 HA LYS 9 HA LYS 9 -2.952 -8.247 -6.261 66 1HB LYS 9 2HB LYS 9 -3.114 -7.602 -8.692 67 2HB LYS 9 1HB LYS 9 -1.991 -6.293 -8.352 68 1HG LYS 9 2HG LYS 9 -0.541 -8.273 -7.370 69 2HG LYS 9 1HG LYS 9 -1.514 -9.216 -8.501 70 1HD LYS 9 2HD LYS 9 -0.831 -7.169 -10.097 71 2HD LYS 9 1HD LYS 9 0.566 -7.176 -9.017 72 1HE LYS 9 2HE LYS 9 1.355 -8.712 -10.464 73 2HE LYS 9 1HE LYS 9 0.336 -9.814 -9.538 74 1HZ LYS 9 1HZ LYS 9 -0.144 -10.168 -11.808 75 2HZ LYS 9 2HZ LYS 9 -0.293 -8.514 -12.126 76 3HZ LYS 9 3HZ LYS 9 -1.458 -9.301 -11.188 77 H CYS 10 H CYS 10 -3.061 -6.410 -4.231 78 HA CYS 10 HA CYS 10 -0.264 -5.502 -4.028 79 1HB CYS 10 2HB CYS 10 -2.327 -3.809 -4.024 80 2HB CYS 10 1HB CYS 10 -2.358 -4.250 -2.321 81 H ALA 11 H ALA 11 -3.065 -6.709 -2.215 82 HA ALA 11 HA ALA 11 -1.465 -7.322 0.106 83 1HB ALA 11 1HB ALA 11 -3.770 -8.564 0.638 84 2HB ALA 11 2HB ALA 11 -4.334 -7.441 -0.600 85 3HB ALA 11 3HB ALA 11 -3.546 -6.828 0.853 86 H ALA 12 H ALA 12 -0.074 -8.966 -0.029 87 HA ALA 12 HA ALA 12 -0.938 -11.429 -1.392 88 1HB ALA 12 1HB ALA 12 1.679 -10.069 -1.135 89 2HB ALA 12 2HB ALA 12 0.987 -10.954 -2.495 90 3HB ALA 12 3HB ALA 12 1.685 -11.833 -1.134 91 H ALA 13 H ALA 13 0.296 -10.094 1.591 92 HA ALA 13 HA ALA 13 -0.483 -12.504 2.999 93 1HB ALA 13 1HB ALA 13 1.877 -12.287 4.208 94 2HB ALA 13 2HB ALA 13 2.346 -11.716 2.607 95 3HB ALA 13 3HB ALA 13 1.628 -13.316 2.799 96 H ALA 14 H ALA 14 -1.427 -9.791 2.940 97 HA ALA 14 HA ALA 14 -2.141 -8.163 4.361 98 1HB ALA 14 1HB ALA 14 -2.410 -10.423 5.745 99 2HB ALA 14 2HB ALA 14 -2.777 -8.841 6.432 100 3HB ALA 14 3HB ALA 14 -1.231 -9.615 6.777 101 H ASN 15 H ASN 15 0.615 -8.142 3.398 102 HA ASN 15 HA ASN 15 2.137 -6.996 5.599 103 1HB ASN 15 2HB ASN 15 2.761 -7.864 2.811 104 2HB ASN 15 1HB ASN 15 3.803 -6.660 3.564 105 1HD2 ASN 15 1HD2 ASN 15 5.539 -7.532 4.402 106 2HD2 ASN 15 2HD2 ASN 15 5.638 -9.064 5.195 107 H VAL 16 H VAL 16 1.943 -4.921 6.089 108 HA VAL 16 HA VAL 16 0.616 -3.052 4.406 109 HB VAL 16 HB VAL 16 0.543 -2.876 6.855 110 1HG1 VAL 16 1HG1 VAL 16 3.342 -1.817 6.845 111 2HG1 VAL 16 2HG1 VAL 16 3.033 -3.541 7.041 112 3HG1 VAL 16 3HG1 VAL 16 2.370 -2.390 8.200 113 1HG2 VAL 16 1HG2 VAL 16 0.299 -0.632 6.808 114 2HG2 VAL 16 2HG2 VAL 16 0.600 -0.847 5.084 115 3HG2 VAL 16 3HG2 VAL 16 1.914 -0.363 6.154 116 H ALA 17 H ALA 17 4.007 -3.622 5.241 117 HA ALA 17 HA ALA 17 5.120 -1.375 4.009 118 1HB ALA 17 1HB ALA 17 6.146 -4.069 4.756 119 2HB ALA 17 2HB ALA 17 6.638 -2.475 5.327 120 3HB ALA 17 3HB ALA 17 7.140 -3.034 3.731 121 H ALA 18 H ALA 18 4.567 -4.637 2.702 122 HA ALA 18 HA ALA 18 5.614 -4.217 0.153 123 1HB ALA 18 1HB ALA 18 3.246 -5.986 0.686 124 2HB ALA 18 2HB ALA 18 4.872 -6.402 1.229 125 3HB ALA 18 3HB ALA 18 4.540 -6.203 -0.492 126 H HIS 19 H HIS 19 2.714 -3.031 1.569 127 HA HIS 19 HA HIS 19 1.411 -2.509 -0.966 128 1HB HIS 19 2HB HIS 19 -0.204 -2.973 0.610 129 2HB HIS 19 1HB HIS 19 0.699 -2.219 1.916 130 HD2 HIS 19 2HD HIS 19 -0.467 0.021 2.751 131 HE1 HIS 19 1HE HIS 19 -2.358 1.076 -0.884 132 HE2 HIS 19 2HE HIS 19 -2.151 1.612 1.585 133 H ILE 20 H ILE 20 2.316 -0.413 1.780 134 HA ILE 20 HA ILE 20 2.136 1.997 0.386 135 HB ILE 20 HB ILE 20 2.201 1.869 2.831 136 1HG1 ILE 20 2HG1 ILE 20 4.589 3.519 2.097 137 2HG1 ILE 20 1HG1 ILE 20 3.029 3.902 1.373 138 1HG2 ILE 20 1HG2 ILE 20 4.798 0.627 2.294 139 2HG2 ILE 20 2HG2 ILE 20 3.713 0.446 3.673 140 3HG2 ILE 20 3HG2 ILE 20 4.814 1.821 3.592 141 1HD1 ILE 20 1HD1 ILE 20 2.798 3.539 4.224 142 2HD1 ILE 20 2HD1 ILE 20 2.346 4.915 3.218 143 3HD1 ILE 20 3HD1 ILE 20 3.997 4.767 3.820 144 H THR 21 H THR 21 4.585 -0.418 0.269 145 HA THR 21 HA THR 21 6.857 1.068 -0.322 146 HB THR 21 HB THR 21 6.838 -1.375 0.067 147 HG1 THR 21 1HG THR 21 8.005 -0.474 -2.350 148 1HG2 THR 21 1HG2 THR 21 5.959 -2.922 -1.308 149 2HG2 THR 21 2HG2 THR 21 6.255 -1.965 -2.758 150 3HG2 THR 21 3HG2 THR 21 4.871 -1.601 -1.728 151 H HIS 22 H HIS 22 4.113 0.268 -2.350 152 HA HIS 22 HA HIS 22 5.256 1.988 -4.441 153 1HB HIS 22 2HB HIS 22 4.470 0.492 -6.185 154 2HB HIS 22 1HB HIS 22 5.545 -0.380 -5.099 155 HD1 HIS 22 1HD HIS 22 4.574 -2.349 -3.815 156 HD2 HIS 22 2HD HIS 22 1.731 -0.254 -6.003 157 HE1 HIS 22 1HE HIS 22 2.500 -3.769 -3.754 158 HE2 HIS 22 2HE HIS 22 0.834 -2.539 -5.189 159 H CYS 23 H CYS 23 3.020 2.041 -2.264 160 HA CYS 23 HA CYS 23 0.941 3.079 -4.069 161 1HB CYS 23 2HB CYS 23 0.711 1.361 -1.634 162 2HB CYS 23 1HB CYS 23 -0.574 2.505 -1.992 163 H TYR 24 H TYR 24 0.793 5.208 -3.911 164 HA TYR 24 HA TYR 24 0.995 6.452 -1.262 165 1HB TYR 24 2HB TYR 24 2.466 7.307 -3.756 166 2HB TYR 24 1HB TYR 24 2.239 8.366 -2.368 167 HD1 TYR 24 1HD TYR 24 3.459 8.000 -0.311 168 HD2 TYR 24 2HD TYR 24 3.942 5.367 -3.617 169 HE1 TYR 24 1HE TYR 24 5.466 7.050 0.747 170 HE2 TYR 24 2HE TYR 24 5.950 4.409 -2.568 171 HH TYR 24 HH TYR 24 6.721 4.321 0.190 172 H LYS 25 H LYS 25 0.173 6.983 -4.682 173 HA LYS 25 HA LYS 25 -2.445 7.842 -4.153 174 1HB LYS 25 2HB LYS 25 -2.137 10.263 -4.829 175 2HB LYS 25 1HB LYS 25 -1.583 9.841 -3.214 176 1HG LYS 25 2HG LYS 25 0.703 9.479 -4.535 177 2HG LYS 25 1HG LYS 25 -0.043 10.680 -5.592 178 1HD LYS 25 2HD LYS 25 0.146 12.330 -4.063 179 2HD LYS 25 1HD LYS 25 -0.212 11.255 -2.709 180 1HE LYS 25 2HE LYS 25 2.205 10.312 -3.469 181 2HE LYS 25 1HE LYS 25 2.374 12.013 -3.901 182 1HZ LYS 25 1HZ LYS 25 1.332 12.248 -1.478 183 2HZ LYS 25 2HZ LYS 25 2.998 12.163 -1.755 184 3HZ LYS 25 3HZ LYS 25 2.149 10.780 -1.277 Start of MODEL 20 1 1H PHE 1 1HT PHE 1 -2.589 2.570 4.851 2 2H PHE 1 2HT PHE 1 -4.014 2.135 3.999 3 3H PHE 1 3HT PHE 1 -2.497 2.126 3.197 4 HA PHE 1 HA PHE 1 -1.761 0.420 4.784 5 1HB PHE 1 2HB PHE 1 -4.727 0.397 5.394 6 2HB PHE 1 1HB PHE 1 -3.558 -0.783 5.978 7 HD1 PHE 1 1HD PHE 1 -5.079 2.415 6.525 8 HD2 PHE 1 2HD PHE 1 -1.715 -0.001 7.506 9 HE1 PHE 1 1HE PHE 1 -4.638 3.834 8.486 10 HE2 PHE 1 2HE PHE 1 -1.268 1.412 9.470 11 HZ PHE 1 HZ PHE 1 -2.731 3.332 9.962 12 H VAL 2 H VAL 2 -1.822 -1.743 4.045 13 HA VAL 2 HA VAL 2 -2.417 -2.077 1.332 14 HB VAL 2 HB VAL 2 -0.744 -3.435 2.511 15 1HG1 VAL 2 1HG1 VAL 2 -2.862 -5.198 3.635 16 2HG1 VAL 2 2HG1 VAL 2 -2.430 -3.729 4.511 17 3HG1 VAL 2 3HG1 VAL 2 -1.200 -4.946 4.168 18 1HG2 VAL 2 1HG2 VAL 2 -0.953 -5.156 1.067 19 2HG2 VAL 2 2HG2 VAL 2 -2.303 -4.204 0.449 20 3HG2 VAL 2 3HG2 VAL 2 -2.600 -5.526 1.580 21 H SER 3 H SER 3 -4.316 -2.683 4.198 22 HA SER 3 HA SER 3 -6.282 -4.334 2.997 23 1HB SER 3 2HB SER 3 -6.713 -2.518 5.373 24 2HB SER 3 1HB SER 3 -7.545 -4.028 5.000 25 HG SER 3 HG SER 3 -5.371 -5.003 5.202 26 H THR 4 H THR 4 -5.821 -0.880 3.185 27 HA THR 4 HA THR 4 -8.421 -0.456 1.876 28 HB THR 4 HB THR 4 -6.694 1.727 3.015 29 HG1 THR 4 1HG THR 4 -6.990 0.372 4.734 30 1HG2 THR 4 1HG2 THR 4 -8.714 2.259 1.606 31 2HG2 THR 4 2HG2 THR 4 -8.677 2.972 3.219 32 3HG2 THR 4 3HG2 THR 4 -9.686 1.562 2.901 33 H CYS 5 H CYS 5 -5.865 -1.379 0.613 34 HA CYS 5 HA CYS 5 -4.749 0.723 -0.901 35 1HB CYS 5 2HB CYS 5 -3.609 -1.424 -0.612 36 2HB CYS 5 1HB CYS 5 -4.881 -2.236 -1.517 37 H TYR 6 H TYR 6 -5.316 1.637 -2.800 38 HA TYR 6 HA TYR 6 -7.965 1.533 -3.690 39 1HB TYR 6 2HB TYR 6 -7.181 2.853 -5.618 40 2HB TYR 6 1HB TYR 6 -6.528 3.463 -4.101 41 HD1 TYR 6 1HD TYR 6 -5.753 1.978 -7.321 42 HD2 TYR 6 2HD TYR 6 -4.146 3.081 -3.539 43 HE1 TYR 6 1HE TYR 6 -3.480 1.816 -8.247 44 HE2 TYR 6 2HE TYR 6 -1.869 2.923 -4.455 45 HH TYR 6 HH TYR 6 -0.704 1.785 -6.310 46 H LEU 7 H LEU 7 -5.074 -0.127 -4.842 47 HA LEU 7 HA LEU 7 -6.711 -1.562 -6.813 48 1HB LEU 7 2HB LEU 7 -4.579 -2.239 -7.833 49 2HB LEU 7 1HB LEU 7 -4.766 -0.496 -7.764 50 HG LEU 7 HG LEU 7 -3.348 -0.640 -5.606 51 1HD1 LEU 7 1HD1 LEU 7 -2.979 -2.765 -4.983 52 2HD1 LEU 7 2HD1 LEU 7 -1.687 -2.694 -6.180 53 3HD1 LEU 7 3HD1 LEU 7 -3.246 -3.399 -6.606 54 1HD2 LEU 7 1HD2 LEU 7 -2.760 -0.046 -8.173 55 2HD2 LEU 7 2HD2 LEU 7 -1.636 -1.374 -7.884 56 3HD2 LEU 7 3HD2 LEU 7 -1.601 0.052 -6.846 57 HA PRO 8 HA PRO 8 -6.517 -5.243 -4.380 58 1HB PRO 8 2HB PRO 8 -6.891 -7.123 -6.277 59 2HB PRO 8 1HB PRO 8 -8.181 -6.024 -5.772 60 1HG PRO 8 2HG PRO 8 -6.400 -5.878 -8.174 61 2HG PRO 8 1HG PRO 8 -8.146 -5.591 -8.058 62 1HD PRO 8 2HD PRO 8 -6.307 -3.584 -8.121 63 2HD PRO 8 1HD PRO 8 -7.867 -3.445 -7.286 64 H LYS 9 H LYS 9 -4.444 -4.995 -7.217 65 HA LYS 9 HA LYS 9 -2.802 -7.229 -6.621 66 1HB LYS 9 2HB LYS 9 -3.082 -5.706 -8.799 67 2HB LYS 9 1HB LYS 9 -1.669 -4.917 -8.112 68 1HG LYS 9 2HG LYS 9 -0.310 -6.663 -8.549 69 2HG LYS 9 1HG LYS 9 -1.571 -7.861 -8.248 70 1HD LYS 9 2HD LYS 9 -2.565 -7.411 -10.406 71 2HD LYS 9 1HD LYS 9 -1.410 -6.109 -10.700 72 1HE LYS 9 2HE LYS 9 0.257 -7.533 -11.242 73 2HE LYS 9 1HE LYS 9 -0.244 -8.737 -10.055 74 1HZ LYS 9 1HZ LYS 9 -1.557 -9.781 -11.536 75 2HZ LYS 9 2HZ LYS 9 -0.528 -9.063 -12.670 76 3HZ LYS 9 3HZ LYS 9 -2.024 -8.355 -12.321 77 H CYS 10 H CYS 10 -2.619 -6.724 -4.271 78 HA CYS 10 HA CYS 10 -0.046 -5.547 -3.755 79 1HB CYS 10 2HB CYS 10 -2.319 -3.898 -3.478 80 2HB CYS 10 1HB CYS 10 -1.825 -4.328 -1.844 81 H ALA 11 H ALA 11 -3.016 -6.304 -1.921 82 HA ALA 11 HA ALA 11 -1.715 -7.419 0.290 83 1HB ALA 11 1HB ALA 11 -4.022 -8.629 0.540 84 2HB ALA 11 2HB ALA 11 -4.492 -7.565 -0.786 85 3HB ALA 11 3HB ALA 11 -3.905 -6.879 0.729 86 H ALA 12 H ALA 12 -0.162 -8.920 -0.184 87 HA ALA 12 HA ALA 12 -1.033 -11.349 -1.602 88 1HB ALA 12 1HB ALA 12 0.936 -9.943 -2.472 89 2HB ALA 12 2HB ALA 12 1.148 -11.689 -2.346 90 3HB ALA 12 3HB ALA 12 1.835 -10.628 -1.118 91 H ALA 13 H ALA 13 0.399 -10.097 1.328 92 HA ALA 13 HA ALA 13 -0.096 -12.646 2.641 93 1HB ALA 13 1HB ALA 13 2.302 -12.203 3.739 94 2HB ALA 13 2HB ALA 13 2.601 -11.546 2.131 95 3HB ALA 13 3HB ALA 13 2.072 -13.218 2.315 96 H ALA 14 H ALA 14 -1.250 -9.970 2.753 97 HA ALA 14 HA ALA 14 -2.033 -8.489 4.293 98 1HB ALA 14 1HB ALA 14 -2.248 -10.813 5.495 99 2HB ALA 14 2HB ALA 14 -2.538 -9.311 6.374 100 3HB ALA 14 3HB ALA 14 -0.993 -10.146 6.540 101 H ASN 15 H ASN 15 0.701 -8.234 3.313 102 HA ASN 15 HA ASN 15 2.129 -7.102 5.599 103 1HB ASN 15 2HB ASN 15 3.071 -8.569 3.544 104 2HB ASN 15 1HB ASN 15 3.305 -6.954 2.881 105 1HD2 ASN 15 1HD2 ASN 15 5.117 -9.134 3.974 106 2HD2 ASN 15 2HD2 ASN 15 6.159 -8.294 5.066 107 H VAL 16 H VAL 16 1.847 -5.037 6.087 108 HA VAL 16 HA VAL 16 0.523 -3.213 4.342 109 HB VAL 16 HB VAL 16 0.294 -3.061 6.782 110 1HG1 VAL 16 1HG1 VAL 16 3.163 -2.131 6.775 111 2HG1 VAL 16 2HG1 VAL 16 2.598 -3.695 7.363 112 3HG1 VAL 16 3HG1 VAL 16 2.088 -2.213 8.172 113 1HG2 VAL 16 1HG2 VAL 16 0.115 -1.061 5.165 114 2HG2 VAL 16 2HG2 VAL 16 1.633 -0.533 5.890 115 3HG2 VAL 16 3HG2 VAL 16 0.200 -0.738 6.897 116 H ALA 17 H ALA 17 3.878 -3.639 5.386 117 HA ALA 17 HA ALA 17 4.965 -1.339 4.228 118 1HB ALA 17 1HB ALA 17 6.056 -3.984 5.048 119 2HB ALA 17 2HB ALA 17 6.453 -2.368 5.630 120 3HB ALA 17 3HB ALA 17 7.067 -2.919 4.071 121 H ALA 18 H ALA 18 4.536 -4.595 2.879 122 HA ALA 18 HA ALA 18 5.762 -4.159 0.407 123 1HB ALA 18 1HB ALA 18 3.391 -5.929 0.469 124 2HB ALA 18 2HB ALA 18 4.707 -6.312 1.578 125 3HB ALA 18 3HB ALA 18 5.014 -6.224 -0.156 126 H HIS 19 H HIS 19 2.776 -2.990 1.637 127 HA HIS 19 HA HIS 19 1.616 -2.490 -0.969 128 1HB HIS 19 2HB HIS 19 -0.089 -2.928 0.511 129 2HB HIS 19 1HB HIS 19 0.750 -2.189 1.866 130 HD2 HIS 19 2HD HIS 19 -0.407 0.079 2.641 131 HE1 HIS 19 1HE HIS 19 -2.146 1.134 -1.069 132 HE2 HIS 19 2HE HIS 19 -1.744 1.869 1.324 133 H ILE 20 H ILE 20 2.338 -0.355 1.800 134 HA ILE 20 HA ILE 20 2.243 2.038 0.377 135 HB ILE 20 HB ILE 20 2.183 1.932 2.825 136 1HG1 ILE 20 2HG1 ILE 20 4.597 3.587 2.390 137 2HG1 ILE 20 1HG1 ILE 20 3.248 3.904 1.304 138 1HG2 ILE 20 1HG2 ILE 20 4.800 0.683 2.432 139 2HG2 ILE 20 2HG2 ILE 20 3.652 0.524 3.761 140 3HG2 ILE 20 3HG2 ILE 20 4.759 1.896 3.712 141 1HD1 ILE 20 1HD1 ILE 20 1.796 4.310 3.211 142 2HD1 ILE 20 2HD1 ILE 20 3.209 5.365 3.252 143 3HD1 ILE 20 3HD1 ILE 20 3.128 3.956 4.310 144 H THR 21 H THR 21 4.711 -0.365 0.434 145 HA THR 21 HA THR 21 7.001 1.123 -0.067 146 HB THR 21 HB THR 21 6.961 -1.320 0.359 147 HG1 THR 21 1HG THR 21 8.879 -1.048 -0.425 148 1HG2 THR 21 1HG2 THR 21 6.177 -2.885 -1.049 149 2HG2 THR 21 2HG2 THR 21 6.576 -1.949 -2.490 150 3HG2 THR 21 3HG2 THR 21 5.121 -1.572 -1.567 151 H HIS 22 H HIS 22 4.396 0.222 -2.242 152 HA HIS 22 HA HIS 22 5.628 1.930 -4.294 153 1HB HIS 22 2HB HIS 22 4.930 0.396 -6.047 154 2HB HIS 22 1HB HIS 22 5.963 -0.444 -4.896 155 HD1 HIS 22 1HD HIS 22 4.958 -2.407 -3.635 156 HD2 HIS 22 2HD HIS 22 2.185 -0.361 -5.955 157 HE1 HIS 22 1HE HIS 22 2.893 -3.840 -3.632 158 HE2 HIS 22 2HE HIS 22 1.274 -2.642 -5.146 159 H CYS 23 H CYS 23 3.318 2.081 -2.239 160 HA CYS 23 HA CYS 23 1.316 3.049 -4.165 161 1HB CYS 23 2HB CYS 23 0.975 1.371 -1.717 162 2HB CYS 23 1HB CYS 23 -0.288 2.520 -2.135 163 H TYR 24 H TYR 24 1.355 5.195 -4.090 164 HA TYR 24 HA TYR 24 1.129 6.514 -1.496 165 1HB TYR 24 2HB TYR 24 3.410 6.787 -3.372 166 2HB TYR 24 1HB TYR 24 2.796 8.276 -2.663 167 HD1 TYR 24 1HD TYR 24 2.335 8.017 -0.005 168 HD2 TYR 24 2HD TYR 24 5.157 5.777 -2.268 169 HE1 TYR 24 1HE TYR 24 3.618 7.573 2.045 170 HE2 TYR 24 2HE TYR 24 6.446 5.325 -0.224 171 HH TYR 24 HH TYR 24 5.577 5.317 2.537 172 H LYS 25 H LYS 25 1.245 6.976 -5.018 173 HA LYS 25 HA LYS 25 -1.112 8.710 -4.787 174 1HB LYS 25 2HB LYS 25 1.519 9.358 -6.026 175 2HB LYS 25 1HB LYS 25 0.069 9.941 -6.830 176 1HG LYS 25 2HG LYS 25 0.442 10.419 -3.908 177 2HG LYS 25 1HG LYS 25 1.273 11.436 -5.087 178 1HD LYS 25 2HD LYS 25 -0.619 12.657 -4.995 179 2HD LYS 25 1HD LYS 25 -1.233 11.431 -6.108 180 1HE LYS 25 2HE LYS 25 -2.318 10.257 -4.365 181 2HE LYS 25 1HE LYS 25 -1.464 11.169 -3.122 182 1HZ LYS 25 1HZ LYS 25 -3.697 12.032 -4.843 183 2HZ LYS 25 2HZ LYS 25 -2.656 13.178 -4.159 184 3HZ LYS 25 3HZ LYS 25 -3.545 12.141 -3.161
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