NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
4199 | 1eyo | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 1H SER 1 -11.438 3.670 19.533 2 2H SER 1 2H SER 1 -12.243 4.922 18.714 3 3H SER 1 3H SER 1 -10.572 4.705 18.503 4 HA SER 1 HA SER 1 -12.797 3.063 17.500 5 1HB SER 1 1HB SER 1 -10.284 3.886 15.972 6 2HB SER 1 2HB SER 1 -11.593 5.053 16.201 7 HG SER 1 HG SER 1 -11.598 2.592 14.874 8 H CYS 2 H CYS 2 -11.483 1.465 15.872 9 HA CYS 2 HA CYS 2 -9.261 0.014 17.063 10 1HB CYS 2 1HB CYS 2 -11.144 -0.746 18.509 11 2HB CYS 2 2HB CYS 2 -10.455 -2.040 17.573 12 H SER 3 H SER 3 -8.628 -1.836 15.787 13 HA SER 3 HA SER 3 -9.094 -1.413 12.931 14 1HB SER 3 1HB SER 3 -7.386 -3.589 13.076 15 2HB SER 3 2HB SER 3 -7.132 -2.887 14.661 16 HG SER 3 HG SER 3 -5.833 -2.047 12.982 17 H GLY 4 H GLY 4 -11.142 -2.129 12.379 18 1HA GLY 4 1HA GLY 4 -12.979 -3.584 12.190 19 2HA GLY 4 2HA GLY 4 -12.245 -4.578 13.422 20 H ARG 5 H ARG 5 -13.253 -6.010 11.412 21 HA ARG 5 HA ARG 5 -11.342 -7.711 10.515 22 1HB ARG 5 1HB ARG 5 -12.988 -8.063 8.465 23 2HB ARG 5 2HB ARG 5 -13.975 -6.875 9.297 24 1HG ARG 5 1HG ARG 5 -13.898 -8.294 11.368 25 2HG ARG 5 2HG ARG 5 -12.948 -9.487 10.498 26 1HD ARG 5 1HD ARG 5 -15.729 -8.608 9.615 27 2HD ARG 5 2HD ARG 5 -15.397 -10.031 10.595 28 HE ARG 5 HE ARG 5 -14.063 -9.692 7.941 29 1HH1 ARG 5 1HH1 ARG 5 -15.058 -12.800 7.003 30 2HH1 ARG 5 2HH1 ARG 5 -14.135 -11.391 6.599 31 1HH2 ARG 5 1HH2 ARG 5 -16.165 -11.516 10.045 32 2HH2 ARG 5 2HH2 ARG 5 -16.216 -12.863 8.964 33 H ASP 6 H ASP 6 -9.770 -7.797 9.324 34 HA ASP 6 HA ASP 6 -8.297 -7.651 7.582 35 1HB ASP 6 1HB ASP 6 -9.655 -5.466 6.073 36 2HB ASP 6 2HB ASP 6 -10.621 -6.910 6.315 37 H SER 7 H SER 7 -8.884 -5.215 9.672 38 HA SER 7 HA SER 7 -7.114 -3.180 8.543 39 1HB SER 7 1HB SER 7 -7.482 -2.094 10.824 40 2HB SER 7 2HB SER 7 -8.376 -3.552 11.282 41 HG SER 7 HG SER 7 -8.900 -1.869 9.076 42 H ARG 8 H ARG 8 -5.111 -2.500 9.473 43 HA ARG 8 HA ARG 8 -3.214 -4.538 9.856 44 1HB ARG 8 1HB ARG 8 -2.705 -2.234 9.060 45 2HB ARG 8 2HB ARG 8 -1.636 -2.713 10.355 46 1HG ARG 8 1HG ARG 8 -4.139 -1.274 11.209 47 2HG ARG 8 2HG ARG 8 -3.007 -0.327 10.275 48 1HD ARG 8 1HD ARG 8 -1.877 -1.982 12.531 49 2HD ARG 8 2HD ARG 8 -2.755 -0.512 12.937 50 HE ARG 8 HE ARG 8 -1.014 0.246 10.899 51 1HH1 ARG 8 1HH1 ARG 8 1.804 0.795 12.750 52 2HH1 ARG 8 2HH1 ARG 8 0.968 1.106 11.264 53 1HH2 ARG 8 1HH2 ARG 8 -0.748 -1.207 14.035 54 2HH2 ARG 8 2HH2 ARG 8 0.816 -0.532 14.342 55 H CYS 9 H CYS 9 -2.518 -5.639 11.574 56 HA CYS 9 HA CYS 9 -2.749 -4.741 14.300 57 1HB CYS 9 1HB CYS 9 -4.905 -5.543 14.251 58 2HB CYS 9 2HB CYS 9 -4.068 -7.013 14.672 59 HA HYP 10 HA HYP 10 -3.104 -6.166 16.193 60 1HB HYP 10 1HB HYP 10 -3.385 -8.294 16.936 61 2HB HYP 10 2HB HYP 10 -2.186 -7.855 18.147 62 1HD HYP 10 1HD1 HYP 10 -0.581 -8.864 14.443 63 2HD HYP 10 2HD1 HYP 10 0.379 -7.862 15.557 64 HOD HYP 10 HD2 HYP 10 -1.452 -10.505 15.347 65 HG HYP 10 HG HYP 10 -0.581 -9.314 17.210 66 HA HYP 11 HA HYP 11 -3.268 -6.413 18.822 67 1HB HYP 11 1HB HYP 11 -2.134 -6.618 20.871 68 2HB HYP 11 2HB HYP 11 -2.982 -5.133 21.256 69 1HD HYP 11 1HD1 HYP 11 0.438 -4.646 18.883 70 2HD HYP 11 2HD1 HYP 11 -0.798 -3.377 18.949 71 HOD HYP 11 HD2 HYP 11 0.905 -5.377 20.951 72 HG HYP 11 HG HYP 11 -0.904 -4.022 21.280 73 H VAL 12 H VAL 12 -3.412 -4.620 16.942 74 HA VAL 12 HA VAL 12 -4.695 -2.166 17.893 75 HB VAL 12 HB VAL 12 -4.456 -3.046 15.027 76 1HG1 VAL 12 1HG1 VAL 12 -4.464 -0.267 16.303 77 2HG1 VAL 12 2HG1 VAL 12 -5.847 -1.006 15.517 78 3HG1 VAL 12 3HG1 VAL 12 -4.425 -0.603 14.580 79 1HG2 VAL 12 1HG2 VAL 12 -2.176 -3.225 15.886 80 2HG2 VAL 12 2HG2 VAL 12 -2.331 -1.718 16.775 81 3HG2 VAL 12 3HG2 VAL 12 -2.269 -1.704 15.020 82 H CYS 13 H CYS 13 -5.613 -5.156 16.389 83 HA CYS 13 HA CYS 13 -8.114 -4.526 15.395 84 1HB CYS 13 1HB CYS 13 -8.674 -6.908 15.844 85 2HB CYS 13 2HB CYS 13 -7.143 -7.045 16.653 86 H CYS 14 H CYS 14 -10.123 -5.019 15.906 87 HA CYS 14 HA CYS 14 -11.097 -3.936 18.362 88 1HB CYS 14 1HB CYS 14 -13.335 -4.485 17.337 89 2HB CYS 14 2HB CYS 14 -12.534 -5.453 16.167 90 H MET 15 H MET 15 -12.806 -5.134 19.646 91 HA MET 15 HA MET 15 -11.614 -7.399 20.866 92 1HB MET 15 1HB MET 15 -14.564 -6.990 21.296 93 2HB MET 15 2HB MET 15 -13.564 -5.590 21.601 94 1HG MET 15 1HG MET 15 -13.265 -6.466 23.635 95 2HG MET 15 2HG MET 15 -12.102 -7.516 22.894 96 1HE MET 15 1HE MET 15 -12.024 -9.759 22.895 97 2HE MET 15 2HE MET 15 -13.345 -10.165 21.778 98 3HE MET 15 3HE MET 15 -13.243 -10.911 23.373 99 H GLY 16 H GLY 16 -11.426 -9.289 19.964 100 1HA GLY 16 1HA GLY 16 -13.719 -10.527 18.490 101 2HA GLY 16 2HA GLY 16 -12.569 -11.422 19.483 102 H LEU 17 H LEU 17 -11.166 -8.891 17.710 103 HA LEU 17 HA LEU 17 -10.367 -10.655 15.459 104 1HB LEU 17 1HB LEU 17 -9.560 -8.343 14.576 105 2HB LEU 17 2HB LEU 17 -10.499 -7.699 15.890 106 HG LEU 17 HG LEU 17 -12.518 -8.919 15.008 107 1HD1 LEU 17 1HD1 LEU 17 -11.780 -6.413 14.648 108 2HD1 LEU 17 2HD1 LEU 17 -12.992 -7.026 13.535 109 3HD1 LEU 17 3HD1 LEU 17 -11.305 -6.920 13.059 110 1HD2 LEU 17 1HD2 LEU 17 -11.732 -8.930 12.244 111 2HD2 LEU 17 2HD2 LEU 17 -12.267 -10.291 13.208 112 3HD2 LEU 17 3HD2 LEU 17 -10.558 -9.877 13.120 113 H MET 18 H MET 18 -8.270 -10.966 14.941 114 HA MET 18 HA MET 18 -6.085 -9.903 16.701 115 1HB MET 18 1HB MET 18 -6.655 -12.346 17.279 116 2HB MET 18 2HB MET 18 -5.021 -12.120 16.716 117 1HG MET 18 1HG MET 18 -6.597 -12.616 14.401 118 2HG MET 18 2HG MET 18 -7.084 -13.776 15.592 119 1HE MET 18 1HE MET 18 -4.580 -16.352 15.735 120 2HE MET 18 2HE MET 18 -6.078 -15.643 16.281 121 3HE MET 18 3HE MET 18 -4.545 -15.120 17.004 122 H CYS 19 H CYS 19 -4.368 -11.685 14.704 123 HA CYS 19 HA CYS 19 -4.960 -10.207 12.196 124 1HB CYS 19 1HB CYS 19 -2.147 -9.941 12.946 125 2HB CYS 19 2HB CYS 19 -3.257 -9.091 13.987 126 H SER 20 H SER 20 -4.805 -11.333 10.581 127 HA SER 20 HA SER 20 -3.341 -13.852 10.482 128 1HB SER 20 1HB SER 20 -4.414 -13.659 7.982 129 2HB SER 20 2HB SER 20 -5.431 -12.448 8.778 130 HG SER 20 HG SER 20 -6.442 -14.169 9.449 131 H ARG 21 H ARG 21 -1.479 -12.466 10.923 132 HA ARG 21 HA ARG 21 0.623 -11.746 10.335 133 1HB ARG 21 1HB ARG 21 1.475 -12.172 8.134 134 2HB ARG 21 2HB ARG 21 -0.108 -12.100 7.390 135 1HG ARG 21 1HG ARG 21 -0.767 -14.194 8.315 136 2HG ARG 21 2HG ARG 21 0.492 -14.153 9.535 137 1HD ARG 21 1HD ARG 21 1.155 -15.758 7.810 138 2HD ARG 21 2HD ARG 21 2.207 -14.355 7.643 139 HE ARG 21 HE ARG 21 -0.055 -13.922 5.992 140 1HH1 ARG 21 1HH1 ARG 21 2.719 -16.389 4.569 141 2HH1 ARG 21 2HH1 ARG 21 2.644 -16.079 6.270 142 1HH2 ARG 21 1HH2 ARG 21 0.024 -14.299 3.831 143 2HH2 ARG 21 2HH2 ARG 21 1.217 -15.367 3.167 144 H GLY 22 H GLY 22 -2.065 -10.024 9.835 145 1HA GLY 22 1HA GLY 22 -0.792 -7.813 8.301 146 2HA GLY 22 2HA GLY 22 -1.100 -7.497 9.996 147 H LYS 23 H LYS 23 -3.606 -9.362 9.192 148 HA LYS 23 HA LYS 23 -5.364 -7.021 8.597 149 1HB LYS 23 1HB LYS 23 -6.660 -8.695 7.068 150 2HB LYS 23 2HB LYS 23 -5.212 -9.678 7.128 151 1HG LYS 23 1HG LYS 23 -3.905 -7.652 6.301 152 2HG LYS 23 2HG LYS 23 -5.437 -6.827 6.083 153 1HD LYS 23 1HD LYS 23 -6.158 -8.600 4.477 154 2HD LYS 23 2HD LYS 23 -4.656 -9.459 4.751 155 1HE LYS 23 1HE LYS 23 -4.523 -8.102 2.673 156 2HE LYS 23 2HE LYS 23 -3.363 -7.530 3.863 157 1HZ LYS 23 1HZ LYS 23 -5.970 -6.301 3.990 158 2HZ LYS 23 2HZ LYS 23 -5.088 -5.966 2.580 159 3HZ LYS 23 3HZ LYS 23 -4.428 -5.600 4.103 160 H CYS 24 H CYS 24 -7.112 -7.038 9.993 161 HA CYS 24 HA CYS 24 -7.178 -8.984 12.050 162 1HB CYS 24 1HB CYS 24 -9.355 -7.948 12.692 163 2HB CYS 24 2HB CYS 24 -9.381 -7.075 11.201 164 H VAL 25 H VAL 25 -8.362 -10.595 12.548 165 HA VAL 25 HA VAL 25 -10.459 -11.635 10.796 166 HB VAL 25 HB VAL 25 -9.231 -13.896 11.035 167 1HG1 VAL 25 1HG1 VAL 25 -8.191 -13.661 8.850 168 2HG1 VAL 25 2HG1 VAL 25 -7.956 -11.935 9.078 169 3HG1 VAL 25 3HG1 VAL 25 -9.573 -12.584 8.859 170 1HG2 VAL 25 1HG2 VAL 25 -7.384 -12.627 12.499 171 2HG2 VAL 25 2HG2 VAL 25 -6.640 -12.378 10.938 172 3HG2 VAL 25 3HG2 VAL 25 -6.966 -14.007 11.514 173 H SER 26 H SER 26 -11.802 -12.873 11.878 174 HA SER 26 HA SER 26 -12.117 -12.562 14.661 175 1HB SER 26 1HB SER 26 -13.702 -14.746 14.111 176 2HB SER 26 2HB SER 26 -13.479 -14.061 12.493 177 HG SER 26 HG SER 26 -14.056 -12.038 13.343 178 H ILE 27 H ILE 27 -11.173 -13.446 16.210 179 HA ILE 27 HA ILE 27 -9.145 -15.420 16.174 180 HB ILE 27 HB ILE 27 -9.356 -15.385 18.585 181 1HG1 ILE 27 1HG1 ILE 27 -12.054 -14.226 18.023 182 2HG1 ILE 27 2HG1 ILE 27 -11.188 -13.474 19.343 183 1HG2 ILE 27 1HG2 ILE 27 -9.497 -12.546 18.478 184 2HG2 ILE 27 2HG2 ILE 27 -8.939 -13.041 16.896 185 3HG2 ILE 27 3HG2 ILE 27 -8.073 -13.550 18.333 186 1HD1 ILE 27 1HD1 ILE 27 -12.366 -15.272 20.328 187 2HD1 ILE 27 2HD1 ILE 27 -10.700 -15.823 20.211 188 3HD1 ILE 27 3HD1 ILE 27 -11.895 -16.396 19.063 189 H TYR 28 H TYR 28 -12.493 -15.536 16.620 190 HA TYR 28 HA TYR 28 -12.963 -18.113 17.676 191 1HB TYR 28 1HB TYR 28 -15.240 -17.811 16.891 192 2HB TYR 28 2HB TYR 28 -14.736 -16.734 15.601 193 HD1 TYR 28 HD1 TYR 28 -14.946 -17.020 19.323 194 HD2 TYR 28 HD2 TYR 28 -14.500 -14.385 16.008 195 HE1 TYR 28 HE1 TYR 28 -15.200 -15.091 20.811 196 HE2 TYR 28 HE2 TYR 28 -14.751 -12.465 17.494 197 HH TYR 28 HH TYR 28 -14.388 -11.976 19.939 198 H GLY 29 H GLY 29 -12.947 -17.075 14.300 199 1HA GLY 29 1HA GLY 29 -12.680 -18.255 12.303 200 2HA GLY 29 2HA GLY 29 -13.083 -19.721 13.197 201 H GLU 30 H GLU 30 -10.516 -17.344 13.578 202 HA GLU 30 HA GLU 30 -8.451 -19.349 13.922 203 1HB GLU 30 1HB GLU 30 -8.537 -17.452 11.526 204 2HB GLU 30 2HB GLU 30 -8.557 -19.201 11.471 205 1HG GLU 30 1HG GLU 30 -6.315 -19.207 11.369 206 2HG GLU 30 2HG GLU 30 -6.258 -18.570 13.004 Start of MODEL 2 1 1H SER 1 1H SER 1 -9.747 4.998 17.557 2 2H SER 1 2H SER 1 -10.376 4.267 18.955 3 3H SER 1 3H SER 1 -11.290 5.432 18.122 4 HA SER 1 HA SER 1 -12.190 3.332 17.585 5 1HB SER 1 1HB SER 1 -11.983 4.938 15.657 6 2HB SER 1 2HB SER 1 -11.744 3.283 15.077 7 HG SER 1 HG SER 1 -9.589 3.581 15.073 8 H CYS 2 H CYS 2 -11.827 1.283 16.416 9 HA CYS 2 HA CYS 2 -9.186 0.032 17.086 10 1HB CYS 2 1HB CYS 2 -11.001 -0.699 18.598 11 2HB CYS 2 2HB CYS 2 -10.403 -2.005 17.614 12 H SER 3 H SER 3 -8.634 -1.818 15.780 13 HA SER 3 HA SER 3 -9.154 -1.362 12.945 14 1HB SER 3 1HB SER 3 -7.474 -3.601 13.114 15 2HB SER 3 2HB SER 3 -7.165 -2.812 14.647 16 HG SER 3 HG SER 3 -5.902 -2.080 12.906 17 H GLY 4 H GLY 4 -11.196 -2.064 12.364 18 1HA GLY 4 1HA GLY 4 -13.074 -3.467 12.202 19 2HA GLY 4 2HA GLY 4 -12.371 -4.456 13.458 20 H ARG 5 H ARG 5 -13.413 -5.920 11.453 21 HA ARG 5 HA ARG 5 -11.513 -7.648 10.609 22 1HB ARG 5 1HB ARG 5 -13.194 -7.887 8.494 23 2HB ARG 5 2HB ARG 5 -14.183 -6.859 9.516 24 1HG ARG 5 1HG ARG 5 -14.190 -8.449 11.305 25 2HG ARG 5 2HG ARG 5 -12.825 -9.327 10.643 26 1HD ARG 5 1HD ARG 5 -14.766 -9.457 8.596 27 2HD ARG 5 2HD ARG 5 -15.661 -9.703 10.090 28 HE ARG 5 HE ARG 5 -13.748 -11.537 8.928 29 1HH1 ARG 5 1HH1 ARG 5 -14.657 -11.752 12.788 30 2HH1 ARG 5 2HH1 ARG 5 -15.024 -10.318 11.897 31 1HH2 ARG 5 1HH2 ARG 5 -13.260 -13.374 10.021 32 2HH2 ARG 5 2HH2 ARG 5 -13.615 -13.539 11.702 33 H ASP 6 H ASP 6 -9.972 -7.814 9.462 34 HA ASP 6 HA ASP 6 -8.466 -7.780 7.739 35 1HB ASP 6 1HB ASP 6 -9.747 -5.616 6.133 36 2HB ASP 6 2HB ASP 6 -10.745 -7.031 6.410 37 H SER 7 H SER 7 -8.980 -5.267 9.737 38 HA SER 7 HA SER 7 -7.163 -3.312 8.546 39 1HB SER 7 1HB SER 7 -7.518 -2.126 10.774 40 2HB SER 7 2HB SER 7 -8.388 -3.572 11.310 41 HG SER 7 HG SER 7 -9.901 -3.262 9.902 42 H ARG 8 H ARG 8 -5.154 -2.654 9.435 43 HA ARG 8 HA ARG 8 -3.259 -4.678 9.849 44 1HB ARG 8 1HB ARG 8 -1.789 -2.704 10.687 45 2HB ARG 8 2HB ARG 8 -3.211 -1.706 10.475 46 1HG ARG 8 1HG ARG 8 -2.221 -1.436 8.390 47 2HG ARG 8 2HG ARG 8 -3.277 -2.785 8.043 48 1HD ARG 8 1HD ARG 8 -1.495 -4.145 7.569 49 2HD ARG 8 2HD ARG 8 -0.711 -3.770 9.093 50 HE ARG 8 HE ARG 8 0.603 -2.180 7.997 51 1HH1 ARG 8 1HH1 ARG 8 -1.571 -2.161 4.670 52 2HH1 ARG 8 2HH1 ARG 8 -2.121 -3.049 6.052 53 1HH2 ARG 8 1HH2 ARG 8 1.333 -1.053 6.262 54 2HH2 ARG 8 2HH2 ARG 8 0.421 -1.016 4.790 55 H CYS 9 H CYS 9 -2.588 -5.790 11.570 56 HA CYS 9 HA CYS 9 -2.776 -4.860 14.287 57 1HB CYS 9 1HB CYS 9 -4.943 -5.604 14.255 58 2HB CYS 9 2HB CYS 9 -4.144 -7.088 14.705 59 HA HYP 10 HA HYP 10 -3.147 -6.260 16.198 60 1HB HYP 10 1HB HYP 10 -3.458 -8.390 16.929 61 2HB HYP 10 2HB HYP 10 -2.278 -7.951 18.159 62 1HD HYP 10 1HD1 HYP 10 -0.664 -9.010 14.465 63 2HD HYP 10 2HD1 HYP 10 0.311 -8.000 15.558 64 HOD HYP 10 HD2 HYP 10 -2.740 -10.418 16.615 65 HG HYP 10 HG HYP 10 -0.647 -9.404 17.247 66 HA HYP 11 HA HYP 11 -3.331 -6.476 18.813 67 1HB HYP 11 1HB HYP 11 -2.207 -6.695 20.872 68 2HB HYP 11 2HB HYP 11 -3.023 -5.190 21.243 69 1HD HYP 11 1HD1 HYP 11 0.415 -4.784 18.880 70 2HD HYP 11 2HD1 HYP 11 -0.800 -3.494 18.937 71 HOD HYP 11 HD2 HYP 11 -0.165 -6.195 21.828 72 HG HYP 11 HG HYP 11 -0.919 -4.126 21.271 73 H VAL 12 H VAL 12 -3.454 -4.712 16.922 74 HA VAL 12 HA VAL 12 -4.647 -2.205 17.849 75 HB VAL 12 HB VAL 12 -4.458 -3.132 14.993 76 1HG1 VAL 12 1HG1 VAL 12 -4.427 -0.342 16.246 77 2HG1 VAL 12 2HG1 VAL 12 -5.800 -1.063 15.426 78 3HG1 VAL 12 3HG1 VAL 12 -4.348 -0.682 14.525 79 1HG2 VAL 12 1HG2 VAL 12 -2.294 -1.786 16.682 80 2HG2 VAL 12 2HG2 VAL 12 -2.235 -1.879 14.929 81 3HG2 VAL 12 3HG2 VAL 12 -2.178 -3.347 15.885 82 H CYS 13 H CYS 13 -5.712 -5.173 16.362 83 HA CYS 13 HA CYS 13 -8.214 -4.362 15.453 84 1HB CYS 13 1HB CYS 13 -8.856 -6.725 15.691 85 2HB CYS 13 2HB CYS 13 -7.356 -7.008 16.530 86 H CYS 14 H CYS 14 -10.183 -4.867 15.953 87 HA CYS 14 HA CYS 14 -11.178 -3.863 18.415 88 1HB CYS 14 1HB CYS 14 -13.409 -4.422 17.320 89 2HB CYS 14 2HB CYS 14 -12.513 -5.299 16.130 90 H MET 15 H MET 15 -12.990 -5.045 19.548 91 HA MET 15 HA MET 15 -11.929 -7.277 20.922 92 1HB MET 15 1HB MET 15 -14.877 -6.496 20.844 93 2HB MET 15 2HB MET 15 -13.684 -5.572 21.730 94 1HG MET 15 1HG MET 15 -13.202 -7.362 23.204 95 2HG MET 15 2HG MET 15 -13.950 -8.546 22.170 96 1HE MET 15 1HE MET 15 -14.239 -6.484 25.279 97 2HE MET 15 2HE MET 15 -15.903 -5.922 25.310 98 3HE MET 15 3HE MET 15 -14.804 -5.259 24.116 99 H GLY 16 H GLY 16 -11.656 -9.213 20.152 100 1HA GLY 16 1HA GLY 16 -13.794 -10.596 18.581 101 2HA GLY 16 2HA GLY 16 -12.604 -11.376 19.618 102 H LEU 17 H LEU 17 -11.609 -8.709 17.665 103 HA LEU 17 HA LEU 17 -10.562 -10.448 15.533 104 1HB LEU 17 1HB LEU 17 -9.867 -8.160 14.613 105 2HB LEU 17 2HB LEU 17 -10.785 -7.465 15.924 106 HG LEU 17 HG LEU 17 -12.758 -8.891 15.119 107 1HD1 LEU 17 1HD1 LEU 17 -11.571 -6.464 13.747 108 2HD1 LEU 17 2HD1 LEU 17 -13.045 -6.569 14.700 109 3HD1 LEU 17 3HD1 LEU 17 -13.024 -7.161 13.061 110 1HD2 LEU 17 1HD2 LEU 17 -12.636 -9.956 13.047 111 2HD2 LEU 17 2HD2 LEU 17 -10.913 -9.973 13.399 112 3HD2 LEU 17 3HD2 LEU 17 -11.574 -8.737 12.369 113 H MET 18 H MET 18 -8.489 -10.816 15.170 114 HA MET 18 HA MET 18 -6.357 -9.570 16.859 115 1HB MET 18 1HB MET 18 -6.808 -11.852 17.780 116 2HB MET 18 2HB MET 18 -5.266 -11.856 16.957 117 1HG MET 18 1HG MET 18 -6.494 -12.750 14.909 118 2HG MET 18 2HG MET 18 -7.892 -12.918 15.929 119 1HE MET 18 1HE MET 18 -4.354 -15.649 15.450 120 2HE MET 18 2HE MET 18 -4.155 -13.906 15.456 121 3HE MET 18 3HE MET 18 -5.200 -14.692 14.245 122 H CYS 19 H CYS 19 -4.747 -11.706 14.961 123 HA CYS 19 HA CYS 19 -5.238 -10.292 12.404 124 1HB CYS 19 1HB CYS 19 -2.406 -10.190 13.116 125 2HB CYS 19 2HB CYS 19 -3.443 -9.221 14.127 126 H SER 20 H SER 20 -5.079 -11.403 10.783 127 HA SER 20 HA SER 20 -3.843 -14.047 10.747 128 1HB SER 20 1HB SER 20 -4.812 -13.791 8.212 129 2HB SER 20 2HB SER 20 -5.751 -12.488 8.955 130 HG SER 20 HG SER 20 -6.575 -14.746 9.071 131 H ARG 21 H ARG 21 -1.904 -12.714 11.256 132 HA ARG 21 HA ARG 21 0.243 -12.092 10.721 133 1HB ARG 21 1HB ARG 21 1.175 -12.794 8.643 134 2HB ARG 21 2HB ARG 21 -0.328 -12.595 7.767 135 1HG ARG 21 1HG ARG 21 -1.280 -14.557 8.691 136 2HG ARG 21 2HG ARG 21 -0.169 -14.583 10.046 137 1HD ARG 21 1HD ARG 21 1.631 -15.388 8.676 138 2HD ARG 21 2HD ARG 21 0.773 -15.002 7.180 139 HE ARG 21 HE ARG 21 -0.905 -16.766 8.527 140 1HH1 ARG 21 1HH1 ARG 21 2.372 -18.505 7.111 141 2HH1 ARG 21 2HH1 ARG 21 2.364 -16.795 7.378 142 1HH2 ARG 21 1HH2 ARG 21 -0.921 -18.911 8.203 143 2HH2 ARG 21 2HH2 ARG 21 0.476 -19.733 7.586 144 H GLY 22 H GLY 22 -2.319 -10.274 10.092 145 1HA GLY 22 1HA GLY 22 -0.970 -8.254 8.375 146 2HA GLY 22 2HA GLY 22 -1.197 -7.799 10.048 147 H LYS 23 H LYS 23 -3.837 -9.596 9.308 148 HA LYS 23 HA LYS 23 -5.475 -7.169 8.710 149 1HB LYS 23 1HB LYS 23 -6.858 -8.802 7.201 150 2HB LYS 23 2HB LYS 23 -5.451 -9.840 7.265 151 1HG LYS 23 1HG LYS 23 -4.083 -7.825 6.436 152 2HG LYS 23 2HG LYS 23 -5.611 -7.014 6.156 153 1HD LYS 23 1HD LYS 23 -6.292 -8.845 4.600 154 2HD LYS 23 2HD LYS 23 -4.791 -9.686 4.931 155 1HE LYS 23 1HE LYS 23 -4.625 -8.402 2.811 156 2HE LYS 23 2HE LYS 23 -3.492 -7.778 4.000 157 1HZ LYS 23 1HZ LYS 23 -4.569 -5.847 4.141 158 2HZ LYS 23 2HZ LYS 23 -6.104 -6.562 4.047 159 3HZ LYS 23 3HZ LYS 23 -5.215 -6.279 2.629 160 H CYS 24 H CYS 24 -7.291 -7.105 10.059 161 HA CYS 24 HA CYS 24 -7.427 -8.953 12.197 162 1HB CYS 24 1HB CYS 24 -9.581 -7.844 12.749 163 2HB CYS 24 2HB CYS 24 -9.594 -7.083 11.200 164 H VAL 25 H VAL 25 -8.574 -10.538 12.736 165 HA VAL 25 HA VAL 25 -10.722 -11.663 11.111 166 HB VAL 25 HB VAL 25 -9.475 -13.902 11.367 167 1HG1 VAL 25 1HG1 VAL 25 -8.268 -11.997 9.310 168 2HG1 VAL 25 2HG1 VAL 25 -9.885 -12.667 9.159 169 3HG1 VAL 25 3HG1 VAL 25 -8.492 -13.731 9.147 170 1HG2 VAL 25 1HG2 VAL 25 -6.911 -12.333 11.171 171 2HG2 VAL 25 2HG2 VAL 25 -7.169 -13.962 11.773 172 3HG2 VAL 25 3HG2 VAL 25 -7.592 -12.591 12.759 173 H SER 26 H SER 26 -12.011 -12.943 12.344 174 HA SER 26 HA SER 26 -12.043 -12.540 15.151 175 1HB SER 26 1HB SER 26 -14.036 -13.078 13.656 176 2HB SER 26 2HB SER 26 -13.964 -14.042 15.134 177 HG SER 26 HG SER 26 -13.597 -14.771 12.506 178 H ILE 27 H ILE 27 -11.094 -13.599 16.717 179 HA ILE 27 HA ILE 27 -8.959 -15.314 16.523 180 HB ILE 27 HB ILE 27 -9.396 -16.013 18.802 181 1HG1 ILE 27 1HG1 ILE 27 -11.334 -15.460 20.110 182 2HG1 ILE 27 2HG1 ILE 27 -11.849 -16.383 18.726 183 1HG2 ILE 27 1HG2 ILE 27 -8.327 -13.943 18.890 184 2HG2 ILE 27 2HG2 ILE 27 -9.789 -13.530 19.762 185 3HG2 ILE 27 3HG2 ILE 27 -9.622 -13.099 18.072 186 1HD1 ILE 27 1HD1 ILE 27 -12.680 -14.404 17.611 187 2HD1 ILE 27 2HD1 ILE 27 -11.952 -13.379 18.848 188 3HD1 ILE 27 3HD1 ILE 27 -13.294 -14.417 19.254 189 H TYR 28 H TYR 28 -12.265 -16.020 16.424 190 HA TYR 28 HA TYR 28 -12.343 -18.844 16.727 191 1HB TYR 28 1HB TYR 28 -14.562 -18.707 15.699 192 2HB TYR 28 2HB TYR 28 -14.190 -17.151 14.984 193 HD1 TYR 28 HD1 TYR 28 -15.401 -15.461 16.030 194 HD2 TYR 28 HD2 TYR 28 -13.797 -18.569 18.462 195 HE1 TYR 28 HE1 TYR 28 -16.250 -14.338 18.029 196 HE2 TYR 28 HE2 TYR 28 -14.648 -17.442 20.458 197 HH TYR 28 HH TYR 28 -16.822 -14.770 20.280 198 H GLY 29 H GLY 29 -12.558 -17.036 13.650 199 1HA GLY 29 1HA GLY 29 -11.988 -17.628 11.488 200 2HA GLY 29 2HA GLY 29 -12.133 -19.308 11.997 201 H GLU 30 H GLU 30 -10.047 -16.785 13.193 202 HA GLU 30 HA GLU 30 -7.650 -18.421 13.043 203 1HB GLU 30 1HB GLU 30 -6.790 -16.041 11.790 204 2HB GLU 30 2HB GLU 30 -8.303 -16.383 10.983 205 1HG GLU 30 1HG GLU 30 -7.513 -18.642 10.377 206 2HG GLU 30 2HG GLU 30 -6.039 -18.405 11.302 Start of MODEL 3 1 1H SER 1 1H SER 1 -11.838 5.105 18.624 2 2H SER 1 2H SER 1 -10.272 4.470 18.798 3 3H SER 1 3H SER 1 -11.587 3.701 19.549 4 HA SER 1 HA SER 1 -12.528 3.120 17.436 5 1HB SER 1 1HB SER 1 -11.131 3.569 15.344 6 2HB SER 1 2HB SER 1 -10.072 4.589 16.334 7 HG SER 1 HG SER 1 -12.891 4.849 16.210 8 H CYS 2 H CYS 2 -11.677 1.347 16.075 9 HA CYS 2 HA CYS 2 -9.229 0.002 17.057 10 1HB CYS 2 1HB CYS 2 -11.064 -0.749 18.547 11 2HB CYS 2 2HB CYS 2 -10.418 -2.048 17.583 12 H SER 3 H SER 3 -8.642 -1.834 15.748 13 HA SER 3 HA SER 3 -9.178 -1.363 12.917 14 1HB SER 3 1HB SER 3 -7.393 -3.515 13.052 15 2HB SER 3 2HB SER 3 -7.125 -2.740 14.603 16 HG SER 3 HG SER 3 -6.757 -0.823 13.620 17 H GLY 4 H GLY 4 -11.153 -2.129 12.294 18 1HA GLY 4 1HA GLY 4 -12.992 -3.585 12.112 19 2HA GLY 4 2HA GLY 4 -12.258 -4.575 13.346 20 H ARG 5 H ARG 5 -13.267 -5.982 11.296 21 HA ARG 5 HA ARG 5 -11.365 -7.701 10.416 22 1HB ARG 5 1HB ARG 5 -13.018 -7.994 8.338 23 2HB ARG 5 2HB ARG 5 -13.990 -6.841 9.228 24 1HG ARG 5 1HG ARG 5 -13.864 -8.320 11.249 25 2HG ARG 5 2HG ARG 5 -12.918 -9.480 10.330 26 1HD ARG 5 1HD ARG 5 -14.825 -9.752 8.739 27 2HD ARG 5 2HD ARG 5 -15.768 -8.605 9.698 28 HE ARG 5 HE ARG 5 -14.774 -10.685 11.401 29 1HH1 ARG 5 1HH1 ARG 5 -17.614 -12.573 11.258 30 2HH1 ARG 5 2HH1 ARG 5 -16.126 -12.276 12.091 31 1HH2 ARG 5 1HH2 ARG 5 -17.077 -10.078 8.880 32 2HH2 ARG 5 2HH2 ARG 5 -18.155 -11.323 9.412 33 H ASP 6 H ASP 6 -9.754 -7.751 9.360 34 HA ASP 6 HA ASP 6 -8.214 -7.683 7.657 35 1HB ASP 6 1HB ASP 6 -9.630 -5.527 6.115 36 2HB ASP 6 2HB ASP 6 -10.406 -7.101 6.232 37 H SER 7 H SER 7 -8.849 -5.205 9.666 38 HA SER 7 HA SER 7 -7.042 -3.196 8.548 39 1HB SER 7 1HB SER 7 -7.492 -2.043 10.766 40 2HB SER 7 2HB SER 7 -8.335 -3.515 11.271 41 HG SER 7 HG SER 7 -9.817 -3.246 9.820 42 H ARG 8 H ARG 8 -5.049 -2.533 9.490 43 HA ARG 8 HA ARG 8 -3.166 -4.554 9.940 44 1HB ARG 8 1HB ARG 8 -1.790 -2.524 10.949 45 2HB ARG 8 2HB ARG 8 -3.182 -1.583 10.465 46 1HG ARG 8 1HG ARG 8 -1.873 -1.444 8.538 47 2HG ARG 8 2HG ARG 8 -2.894 -2.808 8.137 48 1HD ARG 8 1HD ARG 8 -1.133 -4.323 8.235 49 2HD ARG 8 2HD ARG 8 -0.371 -3.519 9.595 50 HE ARG 8 HE ARG 8 0.887 -2.232 8.104 51 1HH1 ARG 8 1HH1 ARG 8 -1.280 -3.177 4.906 52 2HH1 ARG 8 2HH1 ARG 8 -1.798 -3.702 6.471 53 1HH2 ARG 8 1HH2 ARG 8 1.573 -1.579 6.134 54 2HH2 ARG 8 2HH2 ARG 8 0.668 -1.969 4.707 55 H CYS 9 H CYS 9 -2.511 -5.680 11.628 56 HA CYS 9 HA CYS 9 -2.747 -4.803 14.363 57 1HB CYS 9 1HB CYS 9 -4.901 -5.566 14.287 58 2HB CYS 9 2HB CYS 9 -4.095 -7.056 14.714 59 HA HYP 10 HA HYP 10 -3.121 -6.224 16.239 60 1HB HYP 10 1HB HYP 10 -3.438 -8.359 16.946 61 2HB HYP 10 2HB HYP 10 -2.265 -7.942 18.187 62 1HD HYP 10 1HD1 HYP 10 -0.583 -8.927 14.501 63 2HD HYP 10 2HD1 HYP 10 0.350 -7.932 15.646 64 HOD HYP 10 HD2 HYP 10 -2.625 -10.470 16.631 65 HG HYP 10 HG HYP 10 -0.644 -9.396 17.269 66 HA HYP 11 HA HYP 11 -3.336 -6.480 18.838 67 1HB HYP 11 1HB HYP 11 -2.277 -6.722 20.916 68 2HB HYP 11 2HB HYP 11 -3.078 -5.209 21.287 69 1HD HYP 11 1HD1 HYP 11 0.402 -4.785 18.992 70 2HD HYP 11 2HD1 HYP 11 -0.814 -3.497 19.064 71 HOD HYP 11 HD2 HYP 11 -0.081 -6.659 20.270 72 HG HYP 11 HG HYP 11 -0.944 -4.197 21.387 73 H VAL 12 H VAL 12 -3.428 -4.687 16.963 74 HA VAL 12 HA VAL 12 -4.676 -2.210 17.898 75 HB VAL 12 HB VAL 12 -4.418 -3.099 15.048 76 1HG1 VAL 12 1HG1 VAL 12 -4.475 -0.335 16.353 77 2HG1 VAL 12 2HG1 VAL 12 -5.785 -1.056 15.435 78 3HG1 VAL 12 3HG1 VAL 12 -4.294 -0.617 14.629 79 1HG2 VAL 12 1HG2 VAL 12 -2.151 -3.303 15.957 80 2HG2 VAL 12 2HG2 VAL 12 -2.298 -1.771 16.804 81 3HG2 VAL 12 3HG2 VAL 12 -2.204 -1.805 15.050 82 H CYS 13 H CYS 13 -5.673 -5.186 16.384 83 HA CYS 13 HA CYS 13 -8.153 -4.374 15.405 84 1HB CYS 13 1HB CYS 13 -8.811 -6.744 15.648 85 2HB CYS 13 2HB CYS 13 -7.320 -7.020 16.508 86 H CYS 14 H CYS 14 -10.142 -4.951 15.890 87 HA CYS 14 HA CYS 14 -11.164 -3.909 18.332 88 1HB CYS 14 1HB CYS 14 -13.383 -4.565 17.226 89 2HB CYS 14 2HB CYS 14 -12.434 -5.401 16.052 90 H MET 15 H MET 15 -12.906 -5.104 19.541 91 HA MET 15 HA MET 15 -11.762 -7.362 20.844 92 1HB MET 15 1HB MET 15 -14.665 -6.418 20.993 93 2HB MET 15 2HB MET 15 -13.354 -5.647 21.857 94 1HG MET 15 1HG MET 15 -13.111 -7.351 23.351 95 2HG MET 15 2HG MET 15 -13.532 -8.598 22.216 96 1HE MET 15 1HE MET 15 -15.632 -9.907 22.252 97 2HE MET 15 2HE MET 15 -16.182 -8.559 21.225 98 3HE MET 15 3HE MET 15 -17.195 -9.155 22.525 99 H GLY 16 H GLY 16 -11.553 -9.238 19.870 100 1HA GLY 16 1HA GLY 16 -13.846 -10.434 18.365 101 2HA GLY 16 2HA GLY 16 -12.754 -11.362 19.397 102 H LEU 17 H LEU 17 -11.406 -8.774 17.593 103 HA LEU 17 HA LEU 17 -10.458 -10.547 15.421 104 1HB LEU 17 1HB LEU 17 -9.733 -8.244 14.503 105 2HB LEU 17 2HB LEU 17 -10.699 -7.572 15.781 106 HG LEU 17 HG LEU 17 -12.647 -9.005 14.899 107 1HD1 LEU 17 1HD1 LEU 17 -11.433 -6.554 13.597 108 2HD1 LEU 17 2HD1 LEU 17 -12.887 -6.661 14.578 109 3HD1 LEU 17 3HD1 LEU 17 -12.910 -7.220 12.929 110 1HD2 LEU 17 1HD2 LEU 17 -11.562 -8.789 12.157 111 2HD2 LEU 17 2HD2 LEU 17 -12.354 -10.158 12.914 112 3HD2 LEU 17 3HD2 LEU 17 -10.631 -9.881 13.139 113 H MET 18 H MET 18 -8.348 -10.797 14.939 114 HA MET 18 HA MET 18 -6.220 -9.615 16.678 115 1HB MET 18 1HB MET 18 -6.742 -11.963 17.468 116 2HB MET 18 2HB MET 18 -5.122 -11.817 16.846 117 1HG MET 18 1HG MET 18 -6.519 -12.563 14.573 118 2HG MET 18 2HG MET 18 -7.361 -13.417 15.821 119 1HE MET 18 1HE MET 18 -6.824 -15.520 16.668 120 2HE MET 18 2HE MET 18 -5.695 -14.750 17.801 121 3HE MET 18 3HE MET 18 -5.222 -16.185 16.901 122 H CYS 19 H CYS 19 -4.538 -11.664 14.756 123 HA CYS 19 HA CYS 19 -5.008 -10.191 12.224 124 1HB CYS 19 1HB CYS 19 -2.200 -10.018 12.978 125 2HB CYS 19 2HB CYS 19 -3.281 -9.138 14.024 126 H SER 20 H SER 20 -4.833 -11.256 10.598 127 HA SER 20 HA SER 20 -3.354 -13.791 10.456 128 1HB SER 20 1HB SER 20 -4.654 -13.691 8.063 129 2HB SER 20 2HB SER 20 -5.657 -12.523 8.930 130 HG SER 20 HG SER 20 -5.320 -14.418 10.646 131 H ARG 21 H ARG 21 -1.512 -12.425 10.669 132 HA ARG 21 HA ARG 21 0.527 -11.739 9.858 133 1HB ARG 21 1HB ARG 21 -0.334 -13.188 7.771 134 2HB ARG 21 2HB ARG 21 1.130 -12.253 7.689 135 1HG ARG 21 1HG ARG 21 -1.243 -10.665 6.831 136 2HG ARG 21 2HG ARG 21 -1.027 -12.117 5.892 137 1HD ARG 21 1HD ARG 21 1.500 -10.590 6.330 138 2HD ARG 21 2HD ARG 21 0.276 -9.707 5.438 139 HE ARG 21 HE ARG 21 1.756 -12.018 4.494 140 1HH1 ARG 21 1HH1 ARG 21 -0.088 -12.275 1.632 141 2HH1 ARG 21 2HH1 ARG 21 1.350 -12.752 2.472 142 1HH2 ARG 21 1HH2 ARG 21 -1.230 -10.283 4.264 143 2HH2 ARG 21 2HH2 ARG 21 -1.574 -10.849 2.665 144 H GLY 22 H GLY 22 -2.172 -9.862 9.794 145 1HA GLY 22 1HA GLY 22 -0.770 -7.516 8.559 146 2HA GLY 22 2HA GLY 22 -1.291 -7.409 10.232 147 H LYS 23 H LYS 23 -3.643 -9.114 9.402 148 HA LYS 23 HA LYS 23 -5.432 -6.900 8.572 149 1HB LYS 23 1HB LYS 23 -6.601 -8.727 7.073 150 2HB LYS 23 2HB LYS 23 -5.095 -9.606 7.221 151 1HG LYS 23 1HG LYS 23 -3.879 -7.603 6.300 152 2HG LYS 23 2HG LYS 23 -5.422 -6.808 6.074 153 1HD LYS 23 1HD LYS 23 -5.180 -7.749 3.952 154 2HD LYS 23 2HD LYS 23 -6.009 -9.074 4.737 155 1HE LYS 23 1HE LYS 23 -4.185 -10.187 3.764 156 2HE LYS 23 2HE LYS 23 -3.551 -9.881 5.373 157 1HZ LYS 23 1HZ LYS 23 -1.968 -8.626 4.529 158 2HZ LYS 23 2HZ LYS 23 -3.077 -7.661 3.676 159 3HZ LYS 23 3HZ LYS 23 -2.475 -9.085 2.974 160 H CYS 24 H CYS 24 -7.224 -6.973 9.931 161 HA CYS 24 HA CYS 24 -7.235 -8.891 12.033 162 1HB CYS 24 1HB CYS 24 -9.418 -7.886 12.654 163 2HB CYS 24 2HB CYS 24 -9.481 -7.066 11.139 164 H VAL 25 H VAL 25 -8.415 -10.513 12.550 165 HA VAL 25 HA VAL 25 -10.472 -11.621 10.795 166 HB VAL 25 HB VAL 25 -9.224 -13.854 11.052 167 1HG1 VAL 25 1HG1 VAL 25 -9.485 -12.624 8.856 168 2HG1 VAL 25 2HG1 VAL 25 -8.015 -13.574 8.928 169 3HG1 VAL 25 3HG1 VAL 25 -7.944 -11.836 9.153 170 1HG2 VAL 25 1HG2 VAL 25 -7.015 -13.976 11.648 171 2HG2 VAL 25 2HG2 VAL 25 -7.442 -12.579 12.602 172 3HG2 VAL 25 3HG2 VAL 25 -6.630 -12.361 11.067 173 H SER 26 H SER 26 -11.774 -12.935 11.914 174 HA SER 26 HA SER 26 -12.041 -12.519 14.712 175 1HB SER 26 1HB SER 26 -13.662 -13.543 12.638 176 2HB SER 26 2HB SER 26 -14.118 -13.353 14.329 177 HG SER 26 HG SER 26 -12.865 -15.620 13.177 178 H ILE 27 H ILE 27 -11.141 -13.417 16.283 179 HA ILE 27 HA ILE 27 -9.039 -15.320 16.232 180 HB ILE 27 HB ILE 27 -9.325 -15.361 18.680 181 1HG1 ILE 27 1HG1 ILE 27 -11.978 -14.162 18.016 182 2HG1 ILE 27 2HG1 ILE 27 -11.163 -13.438 19.380 183 1HG2 ILE 27 1HG2 ILE 27 -7.944 -13.602 18.029 184 2HG2 ILE 27 2HG2 ILE 27 -9.148 -12.739 18.959 185 3HG2 ILE 27 3HG2 ILE 27 -9.225 -12.724 17.206 186 1HD1 ILE 27 1HD1 ILE 27 -12.587 -15.376 20.012 187 2HD1 ILE 27 2HD1 ILE 27 -10.891 -15.585 20.450 188 3HD1 ILE 27 3HD1 ILE 27 -11.551 -16.427 19.063 189 H TYR 28 H TYR 28 -12.392 -15.555 16.661 190 HA TYR 28 HA TYR 28 -12.740 -18.179 17.659 191 1HB TYR 28 1HB TYR 28 -15.022 -17.987 16.933 192 2HB TYR 28 2HB TYR 28 -14.620 -16.897 15.623 193 HD1 TYR 28 HD1 TYR 28 -14.150 -14.534 16.071 194 HD2 TYR 28 HD2 TYR 28 -15.153 -17.151 19.269 195 HE1 TYR 28 HE1 TYR 28 -14.539 -12.604 17.514 196 HE2 TYR 28 HE2 TYR 28 -15.543 -15.216 20.720 197 HH TYR 28 HH TYR 28 -16.211 -12.690 20.281 198 H GLY 29 H GLY 29 -12.877 -17.110 14.270 199 1HA GLY 29 1HA GLY 29 -12.593 -18.261 12.279 200 2HA GLY 29 2HA GLY 29 -12.882 -19.748 13.176 201 H GLU 30 H GLU 30 -10.426 -17.256 13.525 202 HA GLU 30 HA GLU 30 -8.259 -19.087 12.689 203 1HB GLU 30 1HB GLU 30 -7.969 -16.123 13.417 204 2HB GLU 30 2HB GLU 30 -8.619 -16.603 11.874 205 1HG GLU 30 1HG GLU 30 -6.499 -16.774 11.102 206 2HG GLU 30 2HG GLU 30 -6.293 -18.197 12.103 Start of MODEL 4 1 1H SER 1 1H SER 1 -13.200 3.604 15.157 2 2H SER 1 2H SER 1 -13.686 4.599 16.446 3 3H SER 1 3H SER 1 -14.164 2.970 16.402 4 HA SER 1 HA SER 1 -11.368 3.907 16.626 5 1HB SER 1 1HB SER 1 -12.935 2.516 18.846 6 2HB SER 1 2HB SER 1 -12.990 4.277 18.681 7 HG SER 1 HG SER 1 -11.192 3.200 19.938 8 H CYS 2 H CYS 2 -10.104 2.093 17.583 9 HA CYS 2 HA CYS 2 -9.023 0.075 17.279 10 1HB CYS 2 1HB CYS 2 -11.025 -0.549 18.676 11 2HB CYS 2 2HB CYS 2 -10.287 -1.850 17.794 12 H SER 3 H SER 3 -8.643 -1.786 15.984 13 HA SER 3 HA SER 3 -9.052 -1.241 13.115 14 1HB SER 3 1HB SER 3 -7.003 -2.457 14.918 15 2HB SER 3 2HB SER 3 -6.769 -1.589 13.412 16 HG SER 3 HG SER 3 -6.183 -3.666 13.126 17 H GLY 4 H GLY 4 -11.060 -2.015 12.593 18 1HA GLY 4 1HA GLY 4 -12.869 -3.482 12.388 19 2HA GLY 4 2HA GLY 4 -12.125 -4.484 13.602 20 H ARG 5 H ARG 5 -13.220 -5.844 11.546 21 HA ARG 5 HA ARG 5 -11.349 -7.580 10.626 22 1HB ARG 5 1HB ARG 5 -13.035 -7.842 8.579 23 2HB ARG 5 2HB ARG 5 -14.006 -6.717 9.513 24 1HG ARG 5 1HG ARG 5 -14.151 -8.221 11.375 25 2HG ARG 5 2HG ARG 5 -12.773 -9.156 10.832 26 1HD ARG 5 1HD ARG 5 -14.970 -9.143 8.860 27 2HD ARG 5 2HD ARG 5 -15.399 -9.875 10.399 28 HE ARG 5 HE ARG 5 -13.501 -10.934 8.464 29 1HH1 ARG 5 1HH1 ARG 5 -12.510 -13.458 10.550 30 2HH1 ARG 5 2HH1 ARG 5 -12.499 -12.837 8.932 31 1HH2 ARG 5 1HH2 ARG 5 -14.349 -10.778 11.814 32 2HH2 ARG 5 2HH2 ARG 5 -13.582 -12.277 12.206 33 H ASP 6 H ASP 6 -9.780 -7.642 9.515 34 HA ASP 6 HA ASP 6 -8.309 -7.579 7.751 35 1HB ASP 6 1HB ASP 6 -9.699 -5.330 6.313 36 2HB ASP 6 2HB ASP 6 -10.523 -6.878 6.409 37 H SER 7 H SER 7 -8.835 -5.097 9.834 38 HA SER 7 HA SER 7 -6.935 -3.175 8.697 39 1HB SER 7 1HB SER 7 -7.246 -2.129 11.089 40 2HB SER 7 2HB SER 7 -8.422 -3.429 11.333 41 HG SER 7 HG SER 7 -8.381 -1.576 9.202 42 H ARG 8 H ARG 8 -4.886 -2.665 9.564 43 HA ARG 8 HA ARG 8 -3.130 -4.785 9.980 44 1HB ARG 8 1HB ARG 8 -2.486 -2.483 9.267 45 2HB ARG 8 2HB ARG 8 -1.454 -3.078 10.543 46 1HG ARG 8 1HG ARG 8 -3.866 -1.529 11.451 47 2HG ARG 8 2HG ARG 8 -2.680 -0.612 10.556 48 1HD ARG 8 1HD ARG 8 -1.716 -2.421 12.787 49 2HD ARG 8 2HD ARG 8 -2.410 -0.853 13.184 50 HE ARG 8 HE ARG 8 -0.601 -0.261 11.184 51 1HH1 ARG 8 1HH1 ARG 8 1.211 -1.505 14.497 52 2HH1 ARG 8 2HH1 ARG 8 -0.442 -1.936 14.218 53 1HH2 ARG 8 1HH2 ARG 8 1.488 0.291 11.517 54 2HH2 ARG 8 2HH2 ARG 8 2.323 -0.225 12.943 55 H CYS 9 H CYS 9 -2.451 -5.955 11.656 56 HA CYS 9 HA CYS 9 -2.663 -5.117 14.404 57 1HB CYS 9 1HB CYS 9 -4.821 -5.804 14.332 58 2HB CYS 9 2HB CYS 9 -4.074 -7.326 14.730 59 HA HYP 10 HA HYP 10 -3.062 -6.486 16.277 60 1HB HYP 10 1HB HYP 10 -3.455 -8.579 17.057 61 2HB HYP 10 2HB HYP 10 -2.201 -8.211 18.236 62 1HD HYP 10 1HD1 HYP 10 -0.694 -9.323 14.528 63 2HD HYP 10 2HD1 HYP 10 0.321 -8.375 15.643 64 HOD HYP 10 HD2 HYP 10 -3.042 -9.983 15.721 65 HG HYP 10 HG HYP 10 -0.718 -9.771 17.293 66 HA HYP 11 HA HYP 11 -3.202 -6.738 18.928 67 1HB HYP 11 1HB HYP 11 -2.035 -7.013 20.957 68 2HB HYP 11 2HB HYP 11 -2.803 -5.492 21.363 69 1HD HYP 11 1HD1 HYP 11 0.595 -5.170 18.933 70 2HD HYP 11 2HD1 HYP 11 -0.570 -3.836 19.020 71 HOD HYP 11 HD2 HYP 11 1.013 -5.898 21.211 72 HG HYP 11 HG HYP 11 -0.674 -4.483 21.353 73 H VAL 12 H VAL 12 -3.240 -4.888 17.054 74 HA VAL 12 HA VAL 12 -4.394 -2.402 18.098 75 HB VAL 12 HB VAL 12 -4.184 -3.182 15.193 76 1HG1 VAL 12 1HG1 VAL 12 -4.137 -0.732 14.829 77 2HG1 VAL 12 2HG1 VAL 12 -4.124 -0.445 16.562 78 3HG1 VAL 12 3HG1 VAL 12 -5.543 -1.120 15.793 79 1HG2 VAL 12 1HG2 VAL 12 -1.981 -1.801 15.319 80 2HG2 VAL 12 2HG2 VAL 12 -1.917 -3.426 15.978 81 3HG2 VAL 12 3HG2 VAL 12 -2.055 -2.045 17.056 82 H CYS 13 H CYS 13 -5.488 -5.272 16.419 83 HA CYS 13 HA CYS 13 -7.950 -4.387 15.542 84 1HB CYS 13 1HB CYS 13 -8.709 -6.736 15.792 85 2HB CYS 13 2HB CYS 13 -7.221 -7.083 16.624 86 H CYS 14 H CYS 14 -9.947 -4.850 16.062 87 HA CYS 14 HA CYS 14 -10.883 -3.800 18.527 88 1HB CYS 14 1HB CYS 14 -13.139 -4.378 17.511 89 2HB CYS 14 2HB CYS 14 -12.288 -5.326 16.353 90 H MET 15 H MET 15 -12.536 -4.945 19.882 91 HA MET 15 HA MET 15 -11.381 -7.275 21.061 92 1HB MET 15 1HB MET 15 -14.172 -6.105 21.493 93 2HB MET 15 2HB MET 15 -12.722 -5.526 22.286 94 1HG MET 15 1HG MET 15 -12.491 -8.133 22.918 95 2HG MET 15 2HG MET 15 -14.219 -8.069 22.718 96 1HE MET 15 1HE MET 15 -15.570 -6.222 25.639 97 2HE MET 15 2HE MET 15 -15.812 -7.551 24.519 98 3HE MET 15 3HE MET 15 -15.561 -5.895 23.917 99 H GLY 16 H GLY 16 -11.362 -9.115 19.946 100 1HA GLY 16 1HA GLY 16 -13.881 -10.122 18.668 101 2HA GLY 16 2HA GLY 16 -12.765 -11.151 19.564 102 H LEU 17 H LEU 17 -11.077 -8.798 17.920 103 HA LEU 17 HA LEU 17 -10.530 -10.514 15.562 104 1HB LEU 17 1HB LEU 17 -9.706 -8.193 14.691 105 2HB LEU 17 2HB LEU 17 -10.641 -7.541 16.003 106 HG LEU 17 HG LEU 17 -12.647 -8.852 15.104 107 1HD1 LEU 17 1HD1 LEU 17 -12.887 -7.085 13.169 108 2HD1 LEU 17 2HD1 LEU 17 -11.326 -6.502 13.724 109 3HD1 LEU 17 3HD1 LEU 17 -12.716 -6.489 14.799 110 1HD2 LEU 17 1HD2 LEU 17 -10.771 -9.951 13.414 111 2HD2 LEU 17 2HD2 LEU 17 -11.429 -8.704 12.395 112 3HD2 LEU 17 3HD2 LEU 17 -12.497 -9.926 13.067 113 H MET 18 H MET 18 -8.452 -10.930 15.047 114 HA MET 18 HA MET 18 -6.225 -9.882 16.754 115 1HB MET 18 1HB MET 18 -6.826 -12.224 17.483 116 2HB MET 18 2HB MET 18 -5.234 -12.166 16.766 117 1HG MET 18 1HG MET 18 -6.957 -12.677 14.607 118 2HG MET 18 2HG MET 18 -7.594 -13.622 15.914 119 1HE MET 18 1HE MET 18 -5.244 -16.387 16.535 120 2HE MET 18 2HE MET 18 -6.715 -15.534 16.934 121 3HE MET 18 3HE MET 18 -5.150 -14.920 17.509 122 H CYS 19 H CYS 19 -4.754 -11.973 14.682 123 HA CYS 19 HA CYS 19 -5.174 -10.389 12.225 124 1HB CYS 19 1HB CYS 19 -2.348 -10.335 12.988 125 2HB CYS 19 2HB CYS 19 -3.412 -9.412 14.013 126 H SER 20 H SER 20 -5.087 -11.460 10.571 127 HA SER 20 HA SER 20 -3.712 -14.043 10.387 128 1HB SER 20 1HB SER 20 -4.952 -13.827 7.967 129 2HB SER 20 2HB SER 20 -5.907 -12.618 8.838 130 HG SER 20 HG SER 20 -6.643 -14.825 9.048 131 H ARG 21 H ARG 21 -1.811 -12.731 10.692 132 HA ARG 21 HA ARG 21 0.266 -12.095 10.001 133 1HB ARG 21 1HB ARG 21 -0.530 -13.667 7.984 134 2HB ARG 21 2HB ARG 21 0.978 -12.803 7.926 135 1HG ARG 21 1HG ARG 21 0.372 -11.492 6.194 136 2HG ARG 21 2HG ARG 21 -1.242 -11.200 6.789 137 1HD ARG 21 1HD ARG 21 -2.090 -12.712 5.308 138 2HD ARG 21 2HD ARG 21 -1.115 -13.990 6.003 139 HE ARG 21 HE ARG 21 0.402 -13.766 4.246 140 1HH1 ARG 21 1HH1 ARG 21 0.483 -11.496 1.702 141 2HH1 ARG 21 2HH1 ARG 21 1.118 -12.975 2.340 142 1HH2 ARG 21 1HH2 ARG 21 -1.691 -11.020 4.397 143 2HH2 ARG 21 2HH2 ARG 21 -1.144 -10.367 2.887 144 H GLY 22 H GLY 22 -2.309 -10.152 9.851 145 1HA GLY 22 1HA GLY 22 -0.918 -7.923 8.412 146 2HA GLY 22 2HA GLY 22 -1.301 -7.713 10.109 147 H LYS 23 H LYS 23 -3.806 -9.410 9.348 148 HA LYS 23 HA LYS 23 -5.506 -7.064 8.682 149 1HB LYS 23 1HB LYS 23 -6.823 -8.757 7.156 150 2HB LYS 23 2HB LYS 23 -5.364 -9.720 7.203 151 1HG LYS 23 1HG LYS 23 -4.070 -7.754 6.318 152 2HG LYS 23 2HG LYS 23 -5.558 -6.842 6.219 153 1HD LYS 23 1HD LYS 23 -5.599 -7.646 4.061 154 2HD LYS 23 2HD LYS 23 -6.311 -9.064 4.802 155 1HE LYS 23 1HE LYS 23 -4.093 -10.136 4.961 156 2HE LYS 23 2HE LYS 23 -3.322 -8.692 4.317 157 1HZ LYS 23 1HZ LYS 23 -3.583 -10.227 2.570 158 2HZ LYS 23 2HZ LYS 23 -4.703 -8.978 2.308 159 3HZ LYS 23 3HZ LYS 23 -5.227 -10.471 2.924 160 H CYS 24 H CYS 24 -7.215 -7.050 10.103 161 HA CYS 24 HA CYS 24 -7.333 -9.014 12.143 162 1HB CYS 24 1HB CYS 24 -9.426 -7.925 12.838 163 2HB CYS 24 2HB CYS 24 -9.523 -7.091 11.330 164 H VAL 25 H VAL 25 -8.539 -10.578 12.633 165 HA VAL 25 HA VAL 25 -10.717 -11.566 10.967 166 HB VAL 25 HB VAL 25 -9.514 -13.859 11.155 167 1HG1 VAL 25 1HG1 VAL 25 -8.364 -13.513 8.934 168 2HG1 VAL 25 2HG1 VAL 25 -8.521 -11.786 9.140 169 3HG1 VAL 25 3HG1 VAL 25 -9.957 -12.784 8.967 170 1HG2 VAL 25 1HG2 VAL 25 -7.202 -13.966 11.511 171 2HG2 VAL 25 2HG2 VAL 25 -7.582 -12.604 12.528 172 3HG2 VAL 25 3HG2 VAL 25 -6.927 -12.333 10.929 173 H SER 26 H SER 26 -12.002 -12.857 12.136 174 HA SER 26 HA SER 26 -12.255 -12.472 14.895 175 1HB SER 26 1HB SER 26 -13.343 -14.748 13.201 176 2HB SER 26 2HB SER 26 -14.175 -13.246 13.673 177 HG SER 26 HG SER 26 -13.476 -13.949 15.865 178 H ILE 27 H ILE 27 -11.538 -13.382 16.610 179 HA ILE 27 HA ILE 27 -9.166 -14.921 16.694 180 HB ILE 27 HB ILE 27 -10.162 -15.519 19.143 181 1HG1 ILE 27 1HG1 ILE 27 -11.597 -12.924 18.581 182 2HG1 ILE 27 2HG1 ILE 27 -11.538 -13.800 20.082 183 1HG2 ILE 27 1HG2 ILE 27 -8.160 -14.137 18.679 184 2HG2 ILE 27 2HG2 ILE 27 -9.146 -13.389 19.929 185 3HG2 ILE 27 3HG2 ILE 27 -9.199 -12.770 18.286 186 1HD1 ILE 27 1HD1 ILE 27 -13.040 -14.542 17.596 187 2HD1 ILE 27 2HD1 ILE 27 -13.609 -14.388 19.247 188 3HD1 ILE 27 3HD1 ILE 27 -12.599 -15.754 18.794 189 H TYR 28 H TYR 28 -12.394 -15.887 16.279 190 HA TYR 28 HA TYR 28 -11.971 -18.706 17.014 191 1HB TYR 28 1HB TYR 28 -14.320 -18.980 16.247 192 2HB TYR 28 2HB TYR 28 -14.331 -17.338 15.638 193 HD1 TYR 28 HD1 TYR 28 -15.689 -16.017 16.993 194 HD2 TYR 28 HD2 TYR 28 -13.129 -18.855 18.882 195 HE1 TYR 28 HE1 TYR 28 -16.387 -15.195 19.186 196 HE2 TYR 28 HE2 TYR 28 -13.828 -18.028 21.070 197 HH TYR 28 HH TYR 28 -15.016 -15.328 21.724 198 H GLY 29 H GLY 29 -12.659 -16.813 14.137 199 1HA GLY 29 1HA GLY 29 -12.115 -17.127 11.881 200 2HA GLY 29 2HA GLY 29 -12.548 -18.812 12.170 201 H GLU 30 H GLU 30 -9.984 -16.750 13.375 202 HA GLU 30 HA GLU 30 -7.904 -18.738 12.705 203 1HB GLU 30 1HB GLU 30 -6.512 -16.620 12.116 204 2HB GLU 30 2HB GLU 30 -8.046 -15.799 12.006 205 1HG GLU 30 1HG GLU 30 -8.098 -18.341 10.490 206 2HG GLU 30 2HG GLU 30 -6.810 -17.288 9.948 Start of MODEL 5 1 1H SER 1 1H SER 1 -12.396 5.054 18.530 2 2H SER 1 2H SER 1 -10.911 4.440 19.083 3 3H SER 1 3H SER 1 -12.321 3.506 19.228 4 HA SER 1 HA SER 1 -12.509 3.372 16.832 5 1HB SER 1 1HB SER 1 -11.350 5.469 16.187 6 2HB SER 1 2HB SER 1 -10.426 4.125 15.499 7 HG SER 1 HG SER 1 -8.913 5.152 16.605 8 H CYS 2 H CYS 2 -11.619 1.591 15.812 9 HA CYS 2 HA CYS 2 -9.268 0.217 16.938 10 1HB CYS 2 1HB CYS 2 -11.164 -0.469 18.397 11 2HB CYS 2 2HB CYS 2 -10.468 -1.795 17.510 12 H SER 3 H SER 3 -8.711 -1.697 15.742 13 HA SER 3 HA SER 3 -9.130 -1.330 12.869 14 1HB SER 3 1HB SER 3 -7.191 -2.717 14.715 15 2HB SER 3 2HB SER 3 -6.856 -1.652 13.361 16 HG SER 3 HG SER 3 -6.328 -3.676 12.773 17 H GLY 4 H GLY 4 -11.214 -2.045 12.463 18 1HA GLY 4 1HA GLY 4 -13.005 -3.524 12.224 19 2HA GLY 4 2HA GLY 4 -12.276 -4.509 13.469 20 H ARG 5 H ARG 5 -13.279 -5.985 11.433 21 HA ARG 5 HA ARG 5 -11.333 -7.621 10.576 22 1HB ARG 5 1HB ARG 5 -13.090 -7.661 8.414 23 2HB ARG 5 2HB ARG 5 -14.050 -6.929 9.674 24 1HG ARG 5 1HG ARG 5 -13.966 -8.806 11.063 25 2HG ARG 5 2HG ARG 5 -12.455 -9.396 10.376 26 1HD ARG 5 1HD ARG 5 -15.022 -9.280 8.810 27 2HD ARG 5 2HD ARG 5 -14.452 -10.708 9.692 28 HE ARG 5 HE ARG 5 -12.487 -9.505 7.852 29 1HH1 ARG 5 1HH1 ARG 5 -12.487 -12.120 5.747 30 2HH1 ARG 5 2HH1 ARG 5 -11.763 -10.621 6.255 31 1HH2 ARG 5 1HH2 ARG 5 -14.963 -11.905 8.244 32 2HH2 ARG 5 2HH2 ARG 5 -14.378 -12.857 6.921 33 H ASP 6 H ASP 6 -9.799 -7.771 9.356 34 HA ASP 6 HA ASP 6 -8.346 -7.664 7.588 35 1HB ASP 6 1HB ASP 6 -8.931 -6.698 5.526 36 2HB ASP 6 2HB ASP 6 -9.900 -5.443 6.276 37 H SER 7 H SER 7 -8.940 -5.102 9.614 38 HA SER 7 HA SER 7 -7.004 -3.222 8.464 39 1HB SER 7 1HB SER 7 -7.411 -2.073 10.809 40 2HB SER 7 2HB SER 7 -8.627 -3.334 11.025 41 HG SER 7 HG SER 7 -9.823 -2.217 9.773 42 H ARG 8 H ARG 8 -5.017 -2.632 9.373 43 HA ARG 8 HA ARG 8 -3.161 -4.600 9.909 44 1HB ARG 8 1HB ARG 8 -1.722 -2.713 10.875 45 2HB ARG 8 2HB ARG 8 -3.135 -1.686 10.808 46 1HG ARG 8 1HG ARG 8 -1.895 -1.218 8.817 47 2HG ARG 8 2HG ARG 8 -3.270 -2.171 8.302 48 1HD ARG 8 1HD ARG 8 -0.894 -3.811 9.035 49 2HD ARG 8 2HD ARG 8 -0.603 -2.738 7.678 50 HE ARG 8 HE ARG 8 -2.488 -4.987 7.775 51 1HH1 ARG 8 1HH1 ARG 8 -3.315 -4.654 4.506 52 2HH1 ARG 8 2HH1 ARG 8 -3.403 -5.617 5.946 53 1HH2 ARG 8 1HH2 ARG 8 -1.445 -2.139 6.078 54 2HH2 ARG 8 2HH2 ARG 8 -2.179 -2.642 4.594 55 H CYS 9 H CYS 9 -2.574 -5.830 11.601 56 HA CYS 9 HA CYS 9 -2.863 -4.998 14.340 57 1HB CYS 9 1HB CYS 9 -5.040 -5.735 14.199 58 2HB CYS 9 2HB CYS 9 -4.237 -7.200 14.685 59 HA HYP 10 HA HYP 10 -3.242 -6.313 16.219 60 1HB HYP 10 1HB HYP 10 -3.587 -8.383 17.076 61 2HB HYP 10 2HB HYP 10 -2.342 -7.944 18.239 62 1HD HYP 10 1HD1 HYP 10 -0.870 -9.186 14.564 63 2HD HYP 10 2HD1 HYP 10 0.173 -8.185 15.604 64 HOD HYP 10 HD2 HYP 10 -3.158 -9.870 15.855 65 HG HYP 10 HG HYP 10 -0.808 -9.484 17.353 66 HA HYP 11 HA HYP 11 -3.350 -6.472 18.893 67 1HB HYP 11 1HB HYP 11 -2.169 -6.638 20.920 68 2HB HYP 11 2HB HYP 11 -2.955 -5.110 21.268 69 1HD HYP 11 1HD1 HYP 11 0.410 -4.821 18.789 70 2HD HYP 11 2HD1 HYP 11 -0.782 -3.512 18.846 71 HOD HYP 11 HD2 HYP 11 -0.058 -6.104 21.805 72 HG HYP 11 HG HYP 11 -0.838 -4.079 21.199 73 H VAL 12 H VAL 12 -3.424 -4.688 16.953 74 HA VAL 12 HA VAL 12 -4.679 -2.209 17.891 75 HB VAL 12 HB VAL 12 -4.400 -3.113 15.034 76 1HG1 VAL 12 1HG1 VAL 12 -4.441 -0.700 14.527 77 2HG1 VAL 12 2HG1 VAL 12 -4.450 -0.300 16.235 78 3HG1 VAL 12 3HG1 VAL 12 -5.841 -1.075 15.506 79 1HG2 VAL 12 1HG2 VAL 12 -2.136 -3.238 15.898 80 2HG2 VAL 12 2HG2 VAL 12 -2.339 -1.766 16.836 81 3HG2 VAL 12 3HG2 VAL 12 -2.236 -1.687 15.085 82 H CYS 13 H CYS 13 -5.606 -5.197 16.362 83 HA CYS 13 HA CYS 13 -8.072 -4.609 15.330 84 1HB CYS 13 1HB CYS 13 -8.704 -6.956 16.012 85 2HB CYS 13 2HB CYS 13 -7.154 -7.055 16.769 86 H CYS 14 H CYS 14 -10.129 -4.930 15.860 87 HA CYS 14 HA CYS 14 -11.029 -3.719 18.289 88 1HB CYS 14 1HB CYS 14 -13.309 -4.250 17.350 89 2HB CYS 14 2HB CYS 14 -12.565 -5.256 16.173 90 H MET 15 H MET 15 -12.756 -4.822 19.661 91 HA MET 15 HA MET 15 -11.616 -7.097 20.921 92 1HB MET 15 1HB MET 15 -14.541 -6.551 21.382 93 2HB MET 15 2HB MET 15 -13.458 -5.207 21.670 94 1HG MET 15 1HG MET 15 -12.103 -6.585 23.187 95 2HG MET 15 2HG MET 15 -13.113 -7.966 22.863 96 1HE MET 15 1HE MET 15 -13.965 -4.433 25.598 97 2HE MET 15 2HE MET 15 -13.486 -4.215 23.927 98 3HE MET 15 3HE MET 15 -12.387 -5.005 25.084 99 H GLY 16 H GLY 16 -11.529 -9.049 20.034 100 1HA GLY 16 1HA GLY 16 -13.930 -10.151 18.626 101 2HA GLY 16 2HA GLY 16 -12.815 -11.107 19.595 102 H LEU 17 H LEU 17 -11.134 -8.767 17.872 103 HA LEU 17 HA LEU 17 -10.559 -10.583 15.588 104 1HB LEU 17 1HB LEU 17 -9.648 -8.319 14.666 105 2HB LEU 17 2HB LEU 17 -10.552 -7.621 15.977 106 HG LEU 17 HG LEU 17 -12.638 -8.750 15.117 107 1HD1 LEU 17 1HD1 LEU 17 -11.333 -6.858 13.120 108 2HD1 LEU 17 2HD1 LEU 17 -11.776 -6.293 14.700 109 3HD1 LEU 17 3HD1 LEU 17 -13.020 -6.876 13.604 110 1HD2 LEU 17 1HD2 LEU 17 -11.965 -8.885 12.376 111 2HD2 LEU 17 2HD2 LEU 17 -12.397 -10.232 13.410 112 3HD2 LEU 17 3HD2 LEU 17 -10.711 -9.777 13.197 113 H MET 18 H MET 18 -8.498 -11.010 15.054 114 HA MET 18 HA MET 18 -6.224 -10.074 16.762 115 1HB MET 18 1HB MET 18 -6.986 -12.489 17.335 116 2HB MET 18 2HB MET 18 -5.322 -12.353 16.822 117 1HG MET 18 1HG MET 18 -7.085 -12.767 14.546 118 2HG MET 18 2HG MET 18 -7.295 -14.009 15.736 119 1HE MET 18 1HE MET 18 -4.060 -15.350 16.427 120 2HE MET 18 2HE MET 18 -5.047 -16.437 15.430 121 3HE MET 18 3HE MET 18 -5.803 -15.409 16.631 122 H CYS 19 H CYS 19 -4.574 -11.886 14.815 123 HA CYS 19 HA CYS 19 -5.156 -10.434 12.273 124 1HB CYS 19 1HB CYS 19 -2.339 -10.267 13.024 125 2HB CYS 19 2HB CYS 19 -3.427 -9.374 14.050 126 H SER 20 H SER 20 -5.083 -11.543 10.651 127 HA SER 20 HA SER 20 -3.699 -14.108 10.472 128 1HB SER 20 1HB SER 20 -4.872 -13.864 8.021 129 2HB SER 20 2HB SER 20 -5.840 -12.654 8.869 130 HG SER 20 HG SER 20 -5.729 -14.560 10.554 131 H ARG 21 H ARG 21 -1.753 -12.830 10.789 132 HA ARG 21 HA ARG 21 0.355 -12.290 10.020 133 1HB ARG 21 1HB ARG 21 -0.661 -13.585 7.836 134 2HB ARG 21 2HB ARG 21 0.929 -12.869 7.871 135 1HG ARG 21 1HG ARG 21 0.407 -11.195 6.400 136 2HG ARG 21 2HG ARG 21 -1.217 -10.983 7.011 137 1HD ARG 21 1HD ARG 21 -1.945 -13.056 5.829 138 2HD ARG 21 2HD ARG 21 -0.313 -13.246 5.196 139 HE ARG 21 HE ARG 21 -0.781 -11.584 3.625 140 1HH1 ARG 21 1HH1 ARG 21 -3.351 -9.371 3.411 141 2HH1 ARG 21 2HH1 ARG 21 -1.950 -10.031 2.636 142 1HH2 ARG 21 1HH2 ARG 21 -3.055 -11.329 6.264 143 2HH2 ARG 21 2HH2 ARG 21 -3.969 -10.105 5.466 144 H GLY 22 H GLY 22 -2.328 -10.311 9.817 145 1HA GLY 22 1HA GLY 22 -0.819 -7.984 8.727 146 2HA GLY 22 2HA GLY 22 -1.311 -7.910 10.408 147 H LYS 23 H LYS 23 -3.788 -9.497 9.483 148 HA LYS 23 HA LYS 23 -5.415 -7.111 8.792 149 1HB LYS 23 1HB LYS 23 -6.687 -8.719 7.163 150 2HB LYS 23 2HB LYS 23 -5.261 -9.735 7.250 151 1HG LYS 23 1HG LYS 23 -3.852 -7.984 6.381 152 2HG LYS 23 2HG LYS 23 -5.128 -6.790 6.521 153 1HD LYS 23 1HD LYS 23 -6.429 -7.840 4.767 154 2HD LYS 23 2HD LYS 23 -5.353 -9.224 4.703 155 1HE LYS 23 1HE LYS 23 -3.476 -7.516 4.117 156 2HE LYS 23 2HE LYS 23 -4.775 -6.369 3.835 157 1HZ LYS 23 1HZ LYS 23 -4.534 -9.013 2.525 158 2HZ LYS 23 2HZ LYS 23 -4.089 -7.531 1.826 159 3HZ LYS 23 3HZ LYS 23 -5.716 -7.837 2.210 160 H CYS 24 H CYS 24 -7.186 -7.111 10.113 161 HA CYS 24 HA CYS 24 -7.393 -9.104 12.110 162 1HB CYS 24 1HB CYS 24 -9.514 -7.967 12.754 163 2HB CYS 24 2HB CYS 24 -9.461 -7.051 11.282 164 H VAL 25 H VAL 25 -8.615 -10.597 12.604 165 HA VAL 25 HA VAL 25 -10.798 -11.626 10.967 166 HB VAL 25 HB VAL 25 -9.560 -13.911 11.215 167 1HG1 VAL 25 1HG1 VAL 25 -8.633 -13.721 8.956 168 2HG1 VAL 25 2HG1 VAL 25 -8.467 -11.981 9.113 169 3HG1 VAL 25 3HG1 VAL 25 -10.064 -12.708 9.015 170 1HG2 VAL 25 1HG2 VAL 25 -7.220 -13.942 11.475 171 2HG2 VAL 25 2HG2 VAL 25 -7.635 -12.616 12.524 172 3HG2 VAL 25 3HG2 VAL 25 -7.021 -12.291 10.921 173 H SER 26 H SER 26 -12.087 -12.910 12.216 174 HA SER 26 HA SER 26 -12.200 -12.430 14.986 175 1HB SER 26 1HB SER 26 -13.903 -13.632 13.072 176 2HB SER 26 2HB SER 26 -14.272 -13.364 14.773 177 HG SER 26 HG SER 26 -13.894 -15.393 15.202 178 H ILE 27 H ILE 27 -11.570 -13.417 16.710 179 HA ILE 27 HA ILE 27 -9.249 -14.964 16.852 180 HB ILE 27 HB ILE 27 -10.346 -15.649 19.216 181 1HG1 ILE 27 1HG1 ILE 27 -11.870 -13.089 18.680 182 2HG1 ILE 27 2HG1 ILE 27 -11.881 -14.064 20.121 183 1HG2 ILE 27 1HG2 ILE 27 -9.472 -12.835 18.474 184 2HG2 ILE 27 2HG2 ILE 27 -8.394 -14.158 18.917 185 3HG2 ILE 27 3HG2 ILE 27 -9.497 -13.479 20.108 186 1HD1 ILE 27 1HD1 ILE 27 -13.861 -14.648 19.086 187 2HD1 ILE 27 2HD1 ILE 27 -12.769 -15.954 18.646 188 3HD1 ILE 27 3HD1 ILE 27 -13.162 -14.695 17.477 189 H TYR 28 H TYR 28 -12.397 -15.970 16.171 190 HA TYR 28 HA TYR 28 -12.012 -18.805 16.862 191 1HB TYR 28 1HB TYR 28 -14.271 -19.104 15.911 192 2HB TYR 28 2HB TYR 28 -14.267 -17.466 15.294 193 HD1 TYR 28 HD1 TYR 28 -15.764 -16.175 16.515 194 HD2 TYR 28 HD2 TYR 28 -13.311 -18.943 18.637 195 HE1 TYR 28 HE1 TYR 28 -16.674 -15.364 18.634 196 HE2 TYR 28 HE2 TYR 28 -14.220 -18.127 20.750 197 HH TYR 28 HH TYR 28 -15.291 -16.077 21.626 198 H GLY 29 H GLY 29 -12.605 -16.968 13.906 199 1HA GLY 29 1HA GLY 29 -11.906 -17.280 11.702 200 2HA GLY 29 2HA GLY 29 -12.244 -18.985 12.001 201 H GLU 30 H GLU 30 -9.908 -16.800 13.417 202 HA GLU 30 HA GLU 30 -7.682 -18.643 12.751 203 1HB GLU 30 1HB GLU 30 -7.526 -15.613 12.620 204 2HB GLU 30 2HB GLU 30 -7.869 -16.576 11.200 205 1HG GLU 30 1HG GLU 30 -5.454 -17.239 12.907 206 2HG GLU 30 2HG GLU 30 -5.369 -15.908 11.772 Start of MODEL 6 1 1H SER 1 1H SER 1 -13.160 2.664 19.487 2 2H SER 1 2H SER 1 -12.933 4.331 19.238 3 3H SER 1 3H SER 1 -11.677 3.389 19.887 4 HA SER 1 HA SER 1 -12.812 2.963 17.191 5 1HB SER 1 1HB SER 1 -10.712 4.106 16.357 6 2HB SER 1 2HB SER 1 -10.319 4.543 18.030 7 HG SER 1 HG SER 1 -12.484 5.450 18.111 8 H CYS 2 H CYS 2 -11.909 1.292 16.145 9 HA CYS 2 HA CYS 2 -9.463 -0.055 17.015 10 1HB CYS 2 1HB CYS 2 -11.158 -0.937 18.621 11 2HB CYS 2 2HB CYS 2 -10.502 -2.164 17.577 12 H SER 3 H SER 3 -8.940 -1.872 15.632 13 HA SER 3 HA SER 3 -9.801 -1.376 12.877 14 1HB SER 3 1HB SER 3 -7.752 -3.285 12.858 15 2HB SER 3 2HB SER 3 -7.403 -2.358 14.304 16 HG SER 3 HG SER 3 -7.800 -1.418 11.692 17 H GLY 4 H GLY 4 -11.565 -2.438 12.231 18 1HA GLY 4 1HA GLY 4 -13.188 -4.127 12.085 19 2HA GLY 4 2HA GLY 4 -12.338 -4.972 13.349 20 H ARG 5 H ARG 5 -13.206 -6.508 11.341 21 HA ARG 5 HA ARG 5 -11.137 -8.068 10.520 22 1HB ARG 5 1HB ARG 5 -12.772 -8.638 8.491 23 2HB ARG 5 2HB ARG 5 -13.856 -7.552 9.338 24 1HG ARG 5 1HG ARG 5 -13.485 -8.934 11.441 25 2HG ARG 5 2HG ARG 5 -12.518 -10.046 10.492 26 1HD ARG 5 1HD ARG 5 -14.378 -10.775 9.211 27 2HD ARG 5 2HD ARG 5 -15.371 -9.395 9.689 28 HE ARG 5 HE ARG 5 -14.718 -10.711 12.072 29 1HH1 ARG 5 1HH1 ARG 5 -17.391 -12.622 9.833 30 2HH1 ARG 5 2HH1 ARG 5 -16.337 -11.461 9.103 31 1HH2 ARG 5 1HH2 ARG 5 -16.044 -12.184 13.025 32 2HH2 ARG 5 2HH2 ARG 5 -17.223 -13.038 12.088 33 H ASP 6 H ASP 6 -9.600 -8.099 9.342 34 HA ASP 6 HA ASP 6 -8.202 -7.996 7.500 35 1HB ASP 6 1HB ASP 6 -9.668 -5.745 6.162 36 2HB ASP 6 2HB ASP 6 -10.477 -7.301 6.245 37 H SER 7 H SER 7 -8.711 -5.513 9.637 38 HA SER 7 HA SER 7 -6.876 -3.582 8.413 39 1HB SER 7 1HB SER 7 -6.970 -2.815 11.014 40 2HB SER 7 2HB SER 7 -8.486 -3.718 10.923 41 HG SER 7 HG SER 7 -9.155 -2.462 9.298 42 H ARG 8 H ARG 8 -4.905 -2.832 9.360 43 HA ARG 8 HA ARG 8 -2.963 -4.854 9.770 44 1HB ARG 8 1HB ARG 8 -1.458 -2.887 10.380 45 2HB ARG 8 2HB ARG 8 -2.876 -1.859 10.346 46 1HG ARG 8 1HG ARG 8 -2.112 -1.557 8.172 47 2HG ARG 8 2HG ARG 8 -3.221 -2.882 7.910 48 1HD ARG 8 1HD ARG 8 -1.382 -4.515 7.908 49 2HD ARG 8 2HD ARG 8 -0.249 -3.287 8.451 50 HE ARG 8 HE ARG 8 -0.225 -2.325 6.302 51 1HH1 ARG 8 1HH1 ARG 8 -2.805 -4.920 4.767 52 2HH1 ARG 8 2HH1 ARG 8 -2.585 -4.922 6.475 53 1HH2 ARG 8 1HH2 ARG 8 -0.503 -2.388 4.166 54 2HH2 ARG 8 2HH2 ARG 8 -1.611 -3.501 3.438 55 H CYS 9 H CYS 9 -2.294 -5.875 11.558 56 HA CYS 9 HA CYS 9 -2.540 -4.751 14.209 57 1HB CYS 9 1HB CYS 9 -4.702 -5.529 14.216 58 2HB CYS 9 2HB CYS 9 -3.904 -6.996 14.713 59 HA HYP 10 HA HYP 10 -2.999 -6.025 16.188 60 1HB HYP 10 1HB HYP 10 -3.299 -8.060 17.134 61 2HB HYP 10 2HB HYP 10 -2.101 -7.524 18.307 62 1HD HYP 10 1HD1 HYP 10 -0.394 -8.835 14.745 63 2HD HYP 10 2HD1 HYP 10 0.502 -7.748 15.834 64 HOD HYP 10 HD2 HYP 10 -1.389 -10.400 15.710 65 HG HYP 10 HG HYP 10 -0.543 -9.131 17.517 66 HA HYP 11 HA HYP 11 -3.251 -6.070 18.825 67 1HB HYP 11 1HB HYP 11 -2.154 -6.104 20.904 68 2HB HYP 11 2HB HYP 11 -3.052 -4.622 21.166 69 1HD HYP 11 1HD1 HYP 11 0.418 -4.225 18.847 70 2HD HYP 11 2HD1 HYP 11 -0.844 -2.982 18.777 71 HOD HYP 11 HD2 HYP 11 0.826 -4.749 21.063 72 HG HYP 11 HG HYP 11 -1.010 -3.445 21.148 73 H VAL 12 H VAL 12 -3.417 -4.413 16.814 74 HA VAL 12 HA VAL 12 -4.769 -1.933 17.597 75 HB VAL 12 HB VAL 12 -4.489 -2.972 14.791 76 1HG1 VAL 12 1HG1 VAL 12 -5.964 -0.967 15.126 77 2HG1 VAL 12 2HG1 VAL 12 -4.540 -0.550 14.201 78 3HG1 VAL 12 3HG1 VAL 12 -4.639 -0.124 15.903 79 1HG2 VAL 12 1HG2 VAL 12 -2.344 -1.582 14.709 80 2HG2 VAL 12 2HG2 VAL 12 -2.212 -2.999 15.733 81 3HG2 VAL 12 3HG2 VAL 12 -2.449 -1.415 16.454 82 H CYS 13 H CYS 13 -5.646 -5.020 16.204 83 HA CYS 13 HA CYS 13 -8.175 -4.314 15.261 84 1HB CYS 13 1HB CYS 13 -8.723 -6.685 15.447 85 2HB CYS 13 2HB CYS 13 -7.275 -6.952 16.383 86 H CYS 14 H CYS 14 -10.128 -5.072 15.825 87 HA CYS 14 HA CYS 14 -11.134 -4.021 18.276 88 1HB CYS 14 1HB CYS 14 -13.345 -4.922 17.246 89 2HB CYS 14 2HB CYS 14 -12.337 -5.584 16.017 90 H MET 15 H MET 15 -12.768 -5.252 19.550 91 HA MET 15 HA MET 15 -11.481 -7.419 20.894 92 1HB MET 15 1HB MET 15 -14.426 -6.674 21.192 93 2HB MET 15 2HB MET 15 -13.161 -5.635 21.811 94 1HG MET 15 1HG MET 15 -12.277 -7.460 23.190 95 2HG MET 15 2HG MET 15 -13.461 -8.557 22.541 96 1HE MET 15 1HE MET 15 -13.929 -5.561 25.903 97 2HE MET 15 2HE MET 15 -13.219 -5.069 24.378 98 3HE MET 15 3HE MET 15 -12.463 -6.353 25.356 99 H GLY 16 H GLY 16 -11.256 -9.299 19.875 100 1HA GLY 16 1HA GLY 16 -13.612 -10.525 18.484 101 2HA GLY 16 2HA GLY 16 -12.503 -11.447 19.498 102 H LEU 17 H LEU 17 -11.020 -8.955 17.753 103 HA LEU 17 HA LEU 17 -10.123 -10.742 15.557 104 1HB LEU 17 1HB LEU 17 -9.468 -8.433 14.583 105 2HB LEU 17 2HB LEU 17 -10.481 -7.772 15.832 106 HG LEU 17 HG LEU 17 -12.347 -9.329 14.957 107 1HD1 LEU 17 1HD1 LEU 17 -11.238 -6.892 13.524 108 2HD1 LEU 17 2HD1 LEU 17 -12.605 -6.975 14.622 109 3HD1 LEU 17 3HD1 LEU 17 -12.748 -7.623 13.011 110 1HD2 LEU 17 1HD2 LEU 17 -10.305 -10.222 13.289 111 2HD2 LEU 17 2HD2 LEU 17 -11.189 -9.141 12.246 112 3HD2 LEU 17 3HD2 LEU 17 -12.020 -10.487 13.003 113 H MET 18 H MET 18 -8.009 -10.895 15.099 114 HA MET 18 HA MET 18 -5.947 -9.632 16.853 115 1HB MET 18 1HB MET 18 -6.253 -11.943 17.698 116 2HB MET 18 2HB MET 18 -4.751 -11.898 16.804 117 1HG MET 18 1HG MET 18 -6.227 -12.652 14.773 118 2HG MET 18 2HG MET 18 -7.401 -13.043 15.983 119 1HE MET 18 1HE MET 18 -3.713 -15.321 14.738 120 2HE MET 18 2HE MET 18 -3.538 -13.638 15.207 121 3HE MET 18 3HE MET 18 -4.610 -14.100 13.861 122 H CYS 19 H CYS 19 -4.340 -11.705 14.851 123 HA CYS 19 HA CYS 19 -4.758 -10.238 12.337 124 1HB CYS 19 1HB CYS 19 -1.970 -9.944 13.162 125 2HB CYS 19 2HB CYS 19 -3.120 -9.055 14.120 126 H SER 20 H SER 20 -4.464 -11.300 10.723 127 HA SER 20 HA SER 20 -2.973 -13.818 10.662 128 1HB SER 20 1HB SER 20 -3.992 -13.639 8.132 129 2HB SER 20 2HB SER 20 -5.057 -12.457 8.910 130 HG SER 20 HG SER 20 -4.516 -15.094 9.798 131 H ARG 21 H ARG 21 -1.204 -12.255 11.183 132 HA ARG 21 HA ARG 21 0.877 -11.436 10.650 133 1HB ARG 21 1HB ARG 21 1.857 -11.932 8.521 134 2HB ARG 21 2HB ARG 21 0.313 -11.983 7.702 135 1HG ARG 21 1HG ARG 21 -0.295 -14.055 8.762 136 2HG ARG 21 2HG ARG 21 0.980 -13.903 9.952 137 1HD ARG 21 1HD ARG 21 1.622 -15.566 8.198 138 2HD ARG 21 2HD ARG 21 2.691 -14.172 8.130 139 HE ARG 21 HE ARG 21 1.801 -13.622 6.034 140 1HH1 ARG 21 1HH1 ARG 21 -0.791 -15.019 4.314 141 2HH1 ARG 21 2HH1 ARG 21 0.550 -13.924 4.267 142 1HH2 ARG 21 1HH2 ARG 21 -0.253 -15.908 7.646 143 2HH2 ARG 21 2HH2 ARG 21 -1.248 -16.156 6.249 144 H GLY 22 H GLY 22 -1.876 -9.908 9.937 145 1HA GLY 22 1HA GLY 22 -0.653 -7.706 8.337 146 2HA GLY 22 2HA GLY 22 -1.089 -7.319 9.989 147 H LYS 23 H LYS 23 -3.439 -9.258 9.484 148 HA LYS 23 HA LYS 23 -5.323 -7.182 8.527 149 1HB LYS 23 1HB LYS 23 -6.477 -9.105 7.185 150 2HB LYS 23 2HB LYS 23 -4.944 -9.947 7.313 151 1HG LYS 23 1HG LYS 23 -3.783 -8.108 6.178 152 2HG LYS 23 2HG LYS 23 -5.247 -7.142 6.171 153 1HD LYS 23 1HD LYS 23 -6.312 -9.121 4.829 154 2HD LYS 23 2HD LYS 23 -4.673 -9.697 4.618 155 1HE LYS 23 1HE LYS 23 -5.337 -6.819 3.925 156 2HE LYS 23 2HE LYS 23 -5.727 -8.105 2.794 157 1HZ LYS 23 1HZ LYS 23 -3.050 -7.553 3.934 158 2HZ LYS 23 2HZ LYS 23 -3.558 -7.195 2.353 159 3HZ LYS 23 3HZ LYS 23 -3.423 -8.811 2.855 160 H CYS 24 H CYS 24 -7.076 -7.220 9.926 161 HA CYS 24 HA CYS 24 -7.011 -9.005 12.143 162 1HB CYS 24 1HB CYS 24 -9.217 -8.030 12.727 163 2HB CYS 24 2HB CYS 24 -9.352 -7.350 11.145 164 H VAL 25 H VAL 25 -7.990 -10.713 12.684 165 HA VAL 25 HA VAL 25 -10.064 -12.007 11.080 166 HB VAL 25 HB VAL 25 -8.619 -14.137 11.309 167 1HG1 VAL 25 1HG1 VAL 25 -7.562 -12.113 9.284 168 2HG1 VAL 25 2HG1 VAL 25 -9.127 -12.890 9.116 169 3HG1 VAL 25 3HG1 VAL 25 -7.665 -13.854 9.088 170 1HG2 VAL 25 1HG2 VAL 25 -6.196 -12.371 11.122 171 2HG2 VAL 25 2HG2 VAL 25 -6.325 -14.019 11.722 172 3HG2 VAL 25 3HG2 VAL 25 -6.855 -12.682 12.710 173 H SER 26 H SER 26 -11.166 -13.425 12.318 174 HA SER 26 HA SER 26 -11.481 -12.902 15.038 175 1HB SER 26 1HB SER 26 -12.200 -15.386 13.496 176 2HB SER 26 2HB SER 26 -13.250 -13.989 13.833 177 HG SER 26 HG SER 26 -12.547 -14.481 16.099 178 H ILE 27 H ILE 27 -10.757 -13.654 16.845 179 HA ILE 27 HA ILE 27 -8.198 -14.897 17.066 180 HB ILE 27 HB ILE 27 -9.170 -15.386 19.553 181 1HG1 ILE 27 1HG1 ILE 27 -10.836 -12.975 18.834 182 2HG1 ILE 27 2HG1 ILE 27 -10.716 -13.791 20.365 183 1HG2 ILE 27 1HG2 ILE 27 -8.352 -13.120 20.173 184 2HG2 ILE 27 2HG2 ILE 27 -8.453 -12.632 18.488 185 3HG2 ILE 27 3HG2 ILE 27 -7.298 -13.868 18.980 186 1HD1 ILE 27 1HD1 ILE 27 -12.099 -14.800 17.894 187 2HD1 ILE 27 2HD1 ILE 27 -12.727 -14.585 19.517 188 3HD1 ILE 27 3HD1 ILE 27 -11.581 -15.876 19.187 189 H TYR 28 H TYR 28 -11.309 -16.146 16.676 190 HA TYR 28 HA TYR 28 -10.619 -18.911 17.493 191 1HB TYR 28 1HB TYR 28 -13.009 -19.369 16.939 192 2HB TYR 28 2HB TYR 28 -13.203 -17.737 16.341 193 HD1 TYR 28 HD1 TYR 28 -11.517 -18.990 19.478 194 HD2 TYR 28 HD2 TYR 28 -14.680 -16.682 17.790 195 HE1 TYR 28 HE1 TYR 28 -12.146 -18.217 21.706 196 HE2 TYR 28 HE2 TYR 28 -15.306 -15.914 20.025 197 HH TYR 28 HH TYR 28 -14.617 -17.295 22.698 198 H GLY 29 H GLY 29 -11.733 -17.008 14.779 199 1HA GLY 29 1HA GLY 29 -10.563 -18.946 12.870 200 2HA GLY 29 2HA GLY 29 -10.533 -17.201 12.621 201 H GLU 30 H GLU 30 -13.202 -16.838 13.685 202 HA GLU 30 HA GLU 30 -14.721 -17.386 11.254 203 1HB GLU 30 1HB GLU 30 -16.484 -18.198 13.370 204 2HB GLU 30 2HB GLU 30 -14.969 -19.022 13.667 205 1HG GLU 30 1HG GLU 30 -14.957 -19.904 11.348 206 2HG GLU 30 2HG GLU 30 -16.454 -19.054 11.004 Start of MODEL 7 1 1H SER 1 1H SER 1 -12.179 4.777 18.802 2 2H SER 1 2H SER 1 -10.979 3.836 19.550 3 3H SER 1 3H SER 1 -12.483 3.145 19.167 4 HA SER 1 HA SER 1 -12.071 3.327 16.846 5 1HB SER 1 1HB SER 1 -9.850 4.222 16.039 6 2HB SER 1 2HB SER 1 -9.448 4.673 17.705 7 HG SER 1 HG SER 1 -11.658 5.528 16.155 8 H CYS 2 H CYS 2 -11.279 1.537 15.891 9 HA CYS 2 HA CYS 2 -9.055 -0.019 16.980 10 1HB CYS 2 1HB CYS 2 -10.953 -0.663 18.466 11 2HB CYS 2 2HB CYS 2 -10.345 -1.994 17.527 12 H SER 3 H SER 3 -8.541 -1.861 15.666 13 HA SER 3 HA SER 3 -9.097 -1.396 12.835 14 1HB SER 3 1HB SER 3 -7.380 -3.588 12.938 15 2HB SER 3 2HB SER 3 -7.077 -2.862 14.508 16 HG SER 3 HG SER 3 -6.723 -0.901 13.537 17 H GLY 4 H GLY 4 -11.073 -2.136 12.196 18 1HA GLY 4 1HA GLY 4 -12.973 -3.526 12.090 19 2HA GLY 4 2HA GLY 4 -12.254 -4.518 13.332 20 H ARG 5 H ARG 5 -13.319 -5.933 11.317 21 HA ARG 5 HA ARG 5 -11.470 -7.714 10.451 22 1HB ARG 5 1HB ARG 5 -13.134 -7.925 8.346 23 2HB ARG 5 2HB ARG 5 -14.090 -6.817 9.313 24 1HG ARG 5 1HG ARG 5 -13.861 -8.431 11.260 25 2HG ARG 5 2HG ARG 5 -13.022 -9.536 10.192 26 1HD ARG 5 1HD ARG 5 -15.352 -8.918 8.740 27 2HD ARG 5 2HD ARG 5 -15.910 -8.953 10.405 28 HE ARG 5 HE ARG 5 -15.558 -11.263 10.434 29 1HH1 ARG 5 1HH1 ARG 5 -14.020 -13.285 8.156 30 2HH1 ARG 5 2HH1 ARG 5 -14.979 -13.198 9.597 31 1HH2 ARG 5 1HH2 ARG 5 -13.826 -9.819 7.796 32 2HH2 ARG 5 2HH2 ARG 5 -13.363 -11.346 7.123 33 H ASP 6 H ASP 6 -9.902 -7.862 9.335 34 HA ASP 6 HA ASP 6 -8.362 -7.853 7.629 35 1HB ASP 6 1HB ASP 6 -8.780 -6.705 5.526 36 2HB ASP 6 2HB ASP 6 -10.094 -5.782 6.221 37 H SER 7 H SER 7 -8.892 -5.322 9.605 38 HA SER 7 HA SER 7 -7.004 -3.400 8.457 39 1HB SER 7 1HB SER 7 -7.403 -2.203 10.677 40 2HB SER 7 2HB SER 7 -8.341 -3.616 11.175 41 HG SER 7 HG SER 7 -9.824 -3.202 9.794 42 H ARG 8 H ARG 8 -4.997 -2.771 9.427 43 HA ARG 8 HA ARG 8 -3.175 -4.843 9.920 44 1HB ARG 8 1HB ARG 8 -1.628 -2.961 10.695 45 2HB ARG 8 2HB ARG 8 -3.001 -1.879 10.572 46 1HG ARG 8 1HG ARG 8 -1.867 -1.658 8.483 47 2HG ARG 8 2HG ARG 8 -3.240 -2.681 8.124 48 1HD ARG 8 1HD ARG 8 -1.369 -4.603 8.786 49 2HD ARG 8 2HD ARG 8 -0.323 -3.349 8.136 50 HE ARG 8 HE ARG 8 -2.303 -3.474 6.253 51 1HH1 ARG 8 1HH1 ARG 8 -0.343 -6.926 6.406 52 2HH1 ARG 8 2HH1 ARG 8 -0.318 -5.877 7.782 53 1HH2 ARG 8 1HH2 ARG 8 -2.342 -4.787 4.513 54 2HH2 ARG 8 2HH2 ARG 8 -1.503 -6.305 4.530 55 H CYS 9 H CYS 9 -2.595 -5.988 11.612 56 HA CYS 9 HA CYS 9 -2.756 -5.046 14.337 57 1HB CYS 9 1HB CYS 9 -4.951 -5.728 14.321 58 2HB CYS 9 2HB CYS 9 -4.203 -7.250 14.722 59 HA HYP 10 HA HYP 10 -3.218 -6.439 16.243 60 1HB HYP 10 1HB HYP 10 -3.634 -8.549 16.973 61 2HB HYP 10 2HB HYP 10 -2.440 -8.172 18.211 62 1HD HYP 10 1HD1 HYP 10 -0.797 -9.269 14.539 63 2HD HYP 10 2HD1 HYP 10 0.174 -8.307 15.678 64 HOD HYP 10 HD2 HYP 10 -2.945 -10.676 16.650 65 HG HYP 10 HG HYP 10 -0.897 -9.724 17.305 66 HA HYP 11 HA HYP 11 -3.453 -6.656 18.851 67 1HB HYP 11 1HB HYP 11 -2.408 -6.918 20.937 68 2HB HYP 11 2HB HYP 11 -3.135 -5.363 21.285 69 1HD HYP 11 1HD1 HYP 11 0.355 -5.116 18.984 70 2HD HYP 11 2HD1 HYP 11 -0.812 -3.781 19.044 71 HOD HYP 11 HD2 HYP 11 -0.256 -6.991 20.312 72 HG HYP 11 HG HYP 11 -0.958 -4.453 21.375 73 H VAL 12 H VAL 12 -3.460 -4.881 16.958 74 HA VAL 12 HA VAL 12 -4.595 -2.337 17.856 75 HB VAL 12 HB VAL 12 -4.374 -3.283 15.019 76 1HG1 VAL 12 1HG1 VAL 12 -5.648 -1.179 15.342 77 2HG1 VAL 12 2HG1 VAL 12 -4.122 -0.808 14.567 78 3HG1 VAL 12 3HG1 VAL 12 -4.334 -0.498 16.282 79 1HG2 VAL 12 1HG2 VAL 12 -2.104 -2.078 15.009 80 2HG2 VAL 12 2HG2 VAL 12 -2.117 -3.566 15.936 81 3HG2 VAL 12 3HG2 VAL 12 -2.203 -2.019 16.761 82 H CYS 13 H CYS 13 -5.717 -5.295 16.394 83 HA CYS 13 HA CYS 13 -8.165 -4.387 15.406 84 1HB CYS 13 1HB CYS 13 -8.920 -6.730 15.659 85 2HB CYS 13 2HB CYS 13 -7.444 -7.070 16.520 86 H CYS 14 H CYS 14 -10.168 -4.923 15.902 87 HA CYS 14 HA CYS 14 -11.157 -3.814 18.334 88 1HB CYS 14 1HB CYS 14 -13.395 -4.412 17.234 89 2HB CYS 14 2HB CYS 14 -12.480 -5.317 16.096 90 H MET 15 H MET 15 -12.859 -4.924 19.624 91 HA MET 15 HA MET 15 -11.771 -7.251 20.873 92 1HB MET 15 1HB MET 15 -14.588 -6.098 21.186 93 2HB MET 15 2HB MET 15 -13.176 -5.462 22.004 94 1HG MET 15 1HG MET 15 -12.786 -7.720 23.018 95 2HG MET 15 2HG MET 15 -14.262 -8.275 22.280 96 1HE MET 15 1HE MET 15 -13.748 -5.783 26.032 97 2HE MET 15 2HE MET 15 -12.878 -5.411 24.558 98 3HE MET 15 3HE MET 15 -12.628 -6.970 25.382 99 H GLY 16 H GLY 16 -11.715 -9.104 19.782 100 1HA GLY 16 1HA GLY 16 -14.183 -10.090 18.395 101 2HA GLY 16 2HA GLY 16 -13.135 -11.126 19.362 102 H LEU 17 H LEU 17 -11.374 -8.789 17.725 103 HA LEU 17 HA LEU 17 -10.689 -10.561 15.440 104 1HB LEU 17 1HB LEU 17 -9.835 -8.263 14.551 105 2HB LEU 17 2HB LEU 17 -10.816 -7.580 15.812 106 HG LEU 17 HG LEU 17 -12.792 -8.905 14.872 107 1HD1 LEU 17 1HD1 LEU 17 -11.427 -6.580 13.477 108 2HD1 LEU 17 2HD1 LEU 17 -12.798 -6.529 14.570 109 3HD1 LEU 17 3HD1 LEU 17 -13.006 -7.142 12.952 110 1HD2 LEU 17 1HD2 LEU 17 -10.764 -9.886 13.156 111 2HD2 LEU 17 2HD2 LEU 17 -11.706 -8.815 12.156 112 3HD2 LEU 17 3HD2 LEU 17 -12.493 -10.148 12.976 113 H MET 18 H MET 18 -8.570 -10.863 14.960 114 HA MET 18 HA MET 18 -6.418 -9.823 16.745 115 1HB MET 18 1HB MET 18 -6.941 -12.131 17.521 116 2HB MET 18 2HB MET 18 -5.401 -12.141 16.699 117 1HG MET 18 1HG MET 18 -6.779 -12.789 14.577 118 2HG MET 18 2HG MET 18 -8.058 -13.105 15.695 119 1HE MET 18 1HE MET 18 -4.179 -15.429 15.141 120 2HE MET 18 2HE MET 18 -4.290 -13.694 15.255 121 3HE MET 18 3HE MET 18 -4.989 -14.539 13.854 122 H CYS 19 H CYS 19 -4.862 -11.909 14.749 123 HA CYS 19 HA CYS 19 -5.241 -10.377 12.257 124 1HB CYS 19 1HB CYS 19 -2.446 -10.232 13.054 125 2HB CYS 19 2HB CYS 19 -3.542 -9.334 14.065 126 H SER 20 H SER 20 -4.995 -11.343 10.590 127 HA SER 20 HA SER 20 -3.565 -13.887 10.345 128 1HB SER 20 1HB SER 20 -4.696 -13.573 7.883 129 2HB SER 20 2HB SER 20 -5.723 -12.430 8.762 130 HG SER 20 HG SER 20 -6.697 -14.165 9.413 131 H ARG 21 H ARG 21 -1.698 -12.649 10.770 132 HA ARG 21 HA ARG 21 0.362 -11.829 10.244 133 1HB ARG 21 1HB ARG 21 -0.280 -13.400 8.155 134 2HB ARG 21 2HB ARG 21 1.209 -12.500 8.204 135 1HG ARG 21 1HG ARG 21 0.667 -11.214 6.426 136 2HG ARG 21 2HG ARG 21 -0.951 -10.898 6.999 137 1HD ARG 21 1HD ARG 21 -1.158 -12.131 4.931 138 2HD ARG 21 2HD ARG 21 -1.622 -13.221 6.236 139 HE ARG 21 HE ARG 21 1.191 -13.462 5.712 140 1HH1 ARG 21 1HH1 ARG 21 0.852 -16.207 3.699 141 2HH1 ARG 21 2HH1 ARG 21 1.933 -15.234 4.639 142 1HH2 ARG 21 1HH2 ARG 21 -1.930 -14.230 4.431 143 2HH2 ARG 21 2HH2 ARG 21 -1.370 -15.629 3.579 144 H GLY 22 H GLY 22 -2.264 -10.008 9.998 145 1HA GLY 22 1HA GLY 22 -0.883 -7.685 8.696 146 2HA GLY 22 2HA GLY 22 -1.446 -7.530 10.346 147 H LYS 23 H LYS 23 -3.781 -9.282 9.505 148 HA LYS 23 HA LYS 23 -5.539 -7.080 8.564 149 1HB LYS 23 1HB LYS 23 -6.702 -8.921 7.121 150 2HB LYS 23 2HB LYS 23 -5.233 -9.843 7.343 151 1HG LYS 23 1HG LYS 23 -4.109 -7.537 6.475 152 2HG LYS 23 2HG LYS 23 -5.693 -7.306 5.789 153 1HD LYS 23 1HD LYS 23 -5.175 -8.717 4.082 154 2HD LYS 23 2HD LYS 23 -4.936 -10.035 5.203 155 1HE LYS 23 1HE LYS 23 -2.846 -8.033 4.271 156 2HE LYS 23 2HE LYS 23 -2.885 -9.758 3.948 157 1HZ LYS 23 1HZ LYS 23 -2.384 -8.419 6.537 158 2HZ LYS 23 2HZ LYS 23 -1.333 -9.400 5.643 159 3HZ LYS 23 3HZ LYS 23 -2.673 -10.086 6.416 160 H CYS 24 H CYS 24 -7.316 -7.073 9.960 161 HA CYS 24 HA CYS 24 -7.385 -8.988 12.064 162 1HB CYS 24 1HB CYS 24 -9.542 -7.946 12.680 163 2HB CYS 24 2HB CYS 24 -9.605 -7.138 11.155 164 H VAL 25 H VAL 25 -8.571 -10.576 12.553 165 HA VAL 25 HA VAL 25 -10.663 -11.694 10.863 166 HB VAL 25 HB VAL 25 -9.353 -13.928 11.128 167 1HG1 VAL 25 1HG1 VAL 25 -8.180 -12.027 9.055 168 2HG1 VAL 25 2HG1 VAL 25 -9.825 -12.630 8.934 169 3HG1 VAL 25 3HG1 VAL 25 -8.478 -13.750 8.882 170 1HG2 VAL 25 1HG2 VAL 25 -6.862 -12.223 10.926 171 2HG2 VAL 25 2HG2 VAL 25 -7.003 -13.905 11.406 172 3HG2 VAL 25 3HG2 VAL 25 -7.496 -12.640 12.502 173 H SER 26 H SER 26 -11.903 -13.034 12.130 174 HA SER 26 HA SER 26 -12.071 -12.465 14.859 175 1HB SER 26 1HB SER 26 -13.096 -15.029 13.586 176 2HB SER 26 2HB SER 26 -13.959 -13.473 13.601 177 HG SER 26 HG SER 26 -13.340 -13.571 15.951 178 H ILE 27 H ILE 27 -11.404 -13.295 16.658 179 HA ILE 27 HA ILE 27 -8.951 -14.730 16.840 180 HB ILE 27 HB ILE 27 -9.995 -15.211 19.325 181 1HG1 ILE 27 1HG1 ILE 27 -11.409 -12.665 18.530 182 2HG1 ILE 27 2HG1 ILE 27 -11.364 -13.385 20.112 183 1HG2 ILE 27 1HG2 ILE 27 -8.959 -13.087 20.031 184 2HG2 ILE 27 2HG2 ILE 27 -9.016 -12.499 18.377 185 3HG2 ILE 27 3HG2 ILE 27 -7.973 -13.858 18.795 186 1HD1 ILE 27 1HD1 ILE 27 -12.828 -14.403 17.698 187 2HD1 ILE 27 2HD1 ILE 27 -13.431 -14.085 19.313 188 3HD1 ILE 27 3HD1 ILE 27 -12.392 -15.474 19.023 189 H TYR 28 H TYR 28 -12.143 -15.757 16.448 190 HA TYR 28 HA TYR 28 -11.653 -18.552 17.265 191 1HB TYR 28 1HB TYR 28 -14.061 -18.841 16.590 192 2HB TYR 28 2HB TYR 28 -14.099 -17.174 16.057 193 HD1 TYR 28 HD1 TYR 28 -12.626 -18.736 19.165 194 HD2 TYR 28 HD2 TYR 28 -15.465 -15.997 17.545 195 HE1 TYR 28 HE1 TYR 28 -13.203 -18.000 21.417 196 HE2 TYR 28 HE2 TYR 28 -16.040 -15.267 19.807 197 HH TYR 28 HH TYR 28 -14.757 -15.246 22.120 198 H GLY 29 H GLY 29 -12.471 -16.682 14.413 199 1HA GLY 29 1HA GLY 29 -12.034 -17.003 12.141 200 2HA GLY 29 2HA GLY 29 -12.508 -18.669 12.449 201 H GLU 30 H GLU 30 -9.778 -16.694 13.449 202 HA GLU 30 HA GLU 30 -7.859 -18.492 12.081 203 1HB GLU 30 1HB GLU 30 -7.093 -15.884 13.430 204 2HB GLU 30 2HB GLU 30 -7.987 -15.832 11.930 205 1HG GLU 30 1HG GLU 30 -5.470 -15.748 11.638 206 2HG GLU 30 2HG GLU 30 -6.267 -17.019 10.729 Start of MODEL 8 1 1H SER 1 1H SER 1 -12.387 3.377 19.137 2 2H SER 1 2H SER 1 -12.155 4.960 18.565 3 3H SER 1 3H SER 1 -10.860 4.109 19.265 4 HA SER 1 HA SER 1 -12.251 3.297 16.783 5 1HB SER 1 1HB SER 1 -10.107 4.094 15.648 6 2HB SER 1 2HB SER 1 -9.613 4.805 17.195 7 HG SER 1 HG SER 1 -11.959 5.334 15.700 8 H CYS 2 H CYS 2 -11.360 1.519 15.801 9 HA CYS 2 HA CYS 2 -9.096 0.066 16.970 10 1HB CYS 2 1HB CYS 2 -11.000 -0.595 18.429 11 2HB CYS 2 2HB CYS 2 -10.367 -1.934 17.516 12 H SER 3 H SER 3 -8.541 -1.834 15.724 13 HA SER 3 HA SER 3 -8.977 -1.421 12.861 14 1HB SER 3 1HB SER 3 -7.345 -3.653 13.033 15 2HB SER 3 2HB SER 3 -7.080 -2.959 14.622 16 HG SER 3 HG SER 3 -5.729 -2.176 12.964 17 H GLY 4 H GLY 4 -11.006 -2.104 12.230 18 1HA GLY 4 1HA GLY 4 -12.922 -3.468 12.082 19 2HA GLY 4 2HA GLY 4 -12.240 -4.471 13.336 20 H ARG 5 H ARG 5 -13.292 -5.915 11.316 21 HA ARG 5 HA ARG 5 -11.424 -7.678 10.467 22 1HB ARG 5 1HB ARG 5 -13.071 -8.013 8.424 23 2HB ARG 5 2HB ARG 5 -14.012 -6.773 9.235 24 1HG ARG 5 1HG ARG 5 -13.928 -8.188 11.352 25 2HG ARG 5 2HG ARG 5 -13.072 -9.420 10.445 26 1HD ARG 5 1HD ARG 5 -15.425 -9.987 10.545 27 2HD ARG 5 2HD ARG 5 -15.020 -9.597 8.882 28 HE ARG 5 HE ARG 5 -16.605 -7.913 10.763 29 1HH1 ARG 5 1HH1 ARG 5 -16.331 -7.217 6.863 30 2HH1 ARG 5 2HH1 ARG 5 -15.303 -8.413 7.572 31 1HH2 ARG 5 1HH2 ARG 5 -17.888 -6.402 9.868 32 2HH2 ARG 5 2HH2 ARG 5 -17.804 -6.061 8.171 33 H ASP 6 H ASP 6 -9.820 -7.767 9.400 34 HA ASP 6 HA ASP 6 -8.293 -7.751 7.686 35 1HB ASP 6 1HB ASP 6 -9.679 -5.584 6.126 36 2HB ASP 6 2HB ASP 6 -10.470 -7.149 6.250 37 H SER 7 H SER 7 -8.871 -5.238 9.670 38 HA SER 7 HA SER 7 -7.016 -3.284 8.527 39 1HB SER 7 1HB SER 7 -7.402 -2.130 10.778 40 2HB SER 7 2HB SER 7 -8.359 -3.546 11.244 41 HG SER 7 HG SER 7 -8.766 -2.014 8.903 42 H ARG 8 H ARG 8 -4.979 -2.707 9.417 43 HA ARG 8 HA ARG 8 -3.185 -4.791 9.896 44 1HB ARG 8 1HB ARG 8 -2.533 -2.549 9.104 45 2HB ARG 8 2HB ARG 8 -1.555 -3.013 10.471 46 1HG ARG 8 1HG ARG 8 -4.078 -1.434 11.034 47 2HG ARG 8 2HG ARG 8 -2.756 -0.588 10.271 48 1HD ARG 8 1HD ARG 8 -1.605 -2.111 12.437 49 2HD ARG 8 2HD ARG 8 -3.037 -1.321 13.062 50 HE ARG 8 HE ARG 8 -0.597 -0.014 12.124 51 1HH1 ARG 8 1HH1 ARG 8 -3.854 2.047 13.076 52 2HH1 ARG 8 2HH1 ARG 8 -3.989 0.340 12.850 53 1HH2 ARG 8 1HH2 ARG 8 -0.436 2.139 12.416 54 2HH2 ARG 8 2HH2 ARG 8 -1.827 3.083 12.831 55 H CYS 9 H CYS 9 -2.565 -5.931 11.614 56 HA CYS 9 HA CYS 9 -2.777 -5.011 14.336 57 1HB CYS 9 1HB CYS 9 -4.962 -5.707 14.273 58 2HB CYS 9 2HB CYS 9 -4.203 -7.216 14.709 59 HA HYP 10 HA HYP 10 -3.209 -6.404 16.233 60 1HB HYP 10 1HB HYP 10 -3.594 -8.517 16.974 61 2HB HYP 10 2HB HYP 10 -2.393 -8.128 18.201 62 1HD HYP 10 1HD1 HYP 10 -0.779 -9.217 14.522 63 2HD HYP 10 2HD1 HYP 10 0.204 -8.247 15.644 64 HOD HYP 10 HD2 HYP 10 -2.896 -10.622 16.653 65 HG HYP 10 HG HYP 10 -0.836 -9.652 17.292 66 HA HYP 11 HA HYP 11 -3.413 -6.644 18.859 67 1HB HYP 11 1HB HYP 11 -2.300 -6.904 20.917 68 2HB HYP 11 2HB HYP 11 -3.090 -5.388 21.298 69 1HD HYP 11 1HD1 HYP 11 0.372 -5.050 18.960 70 2HD HYP 11 2HD1 HYP 11 -0.804 -3.725 19.010 71 HOD HYP 11 HD2 HYP 11 -0.049 -6.229 21.955 72 HG HYP 11 HG HYP 11 -0.971 -4.358 21.340 73 H VAL 12 H VAL 12 -3.444 -4.835 16.980 74 HA VAL 12 HA VAL 12 -4.624 -2.333 17.943 75 HB VAL 12 HB VAL 12 -4.399 -3.181 15.067 76 1HG1 VAL 12 1HG1 VAL 12 -5.678 -1.103 15.458 77 2HG1 VAL 12 2HG1 VAL 12 -4.136 -0.656 14.763 78 3HG1 VAL 12 3HG1 VAL 12 -4.405 -0.468 16.484 79 1HG2 VAL 12 1HG2 VAL 12 -2.132 -1.960 15.106 80 2HG2 VAL 12 2HG2 VAL 12 -2.138 -3.491 15.956 81 3HG2 VAL 12 3HG2 VAL 12 -2.226 -1.987 16.858 82 H CYS 13 H CYS 13 -5.677 -5.275 16.433 83 HA CYS 13 HA CYS 13 -8.140 -4.480 15.422 84 1HB CYS 13 1HB CYS 13 -8.840 -6.825 15.798 85 2HB CYS 13 2HB CYS 13 -7.340 -7.085 16.636 86 H CYS 14 H CYS 14 -10.144 -4.908 15.910 87 HA CYS 14 HA CYS 14 -11.137 -3.781 18.324 88 1HB CYS 14 1HB CYS 14 -13.375 -4.355 17.221 89 2HB CYS 14 2HB CYS 14 -12.474 -5.286 16.087 90 H MET 15 H MET 15 -12.906 -4.893 19.574 91 HA MET 15 HA MET 15 -11.837 -7.177 20.895 92 1HB MET 15 1HB MET 15 -14.711 -6.153 21.052 93 2HB MET 15 2HB MET 15 -13.372 -5.391 21.888 94 1HG MET 15 1HG MET 15 -12.913 -7.428 23.137 95 2HG MET 15 2HG MET 15 -14.112 -8.306 22.231 96 1HE MET 15 1HE MET 15 -13.233 -6.439 25.302 97 2HE MET 15 2HE MET 15 -14.702 -5.653 25.847 98 3HE MET 15 3HE MET 15 -13.860 -5.007 24.448 99 H GLY 16 H GLY 16 -11.688 -9.076 19.893 100 1HA GLY 16 1HA GLY 16 -14.077 -10.197 18.470 101 2HA GLY 16 2HA GLY 16 -12.962 -11.152 19.441 102 H LEU 17 H LEU 17 -11.336 -8.737 17.760 103 HA LEU 17 HA LEU 17 -10.649 -10.519 15.483 104 1HB LEU 17 1HB LEU 17 -9.806 -8.233 14.581 105 2HB LEU 17 2HB LEU 17 -10.755 -7.539 15.862 106 HG LEU 17 HG LEU 17 -12.757 -8.857 14.958 107 1HD1 LEU 17 1HD1 LEU 17 -11.405 -6.490 13.639 108 2HD1 LEU 17 2HD1 LEU 17 -12.879 -6.522 14.597 109 3HD1 LEU 17 3HD1 LEU 17 -12.901 -7.101 12.956 110 1HD2 LEU 17 1HD2 LEU 17 -12.569 -10.014 12.979 111 2HD2 LEU 17 2HD2 LEU 17 -10.835 -9.947 13.266 112 3HD2 LEU 17 3HD2 LEU 17 -11.592 -8.761 12.235 113 H MET 18 H MET 18 -8.544 -10.886 15.001 114 HA MET 18 HA MET 18 -6.365 -9.813 16.741 115 1HB MET 18 1HB MET 18 -7.050 -12.168 17.468 116 2HB MET 18 2HB MET 18 -5.396 -12.060 16.923 117 1HG MET 18 1HG MET 18 -6.917 -12.678 14.612 118 2HG MET 18 2HG MET 18 -7.552 -13.666 15.882 119 1HE MET 18 1HE MET 18 -5.329 -16.379 16.480 120 2HE MET 18 2HE MET 18 -6.660 -15.377 16.994 121 3HE MET 18 3HE MET 18 -5.028 -15.023 17.579 122 H CYS 19 H CYS 19 -4.743 -11.854 14.807 123 HA CYS 19 HA CYS 19 -5.218 -10.373 12.276 124 1HB CYS 19 1HB CYS 19 -2.406 -10.236 13.030 125 2HB CYS 19 2HB CYS 19 -3.486 -9.326 14.051 126 H SER 20 H SER 20 -5.035 -11.387 10.616 127 HA SER 20 HA SER 20 -3.674 -13.972 10.414 128 1HB SER 20 1HB SER 20 -4.788 -13.666 7.944 129 2HB SER 20 2HB SER 20 -5.766 -12.463 8.790 130 HG SER 20 HG SER 20 -5.638 -14.473 10.412 131 H ARG 21 H ARG 21 -1.800 -12.501 10.881 132 HA ARG 21 HA ARG 21 0.311 -11.883 10.243 133 1HB ARG 21 1HB ARG 21 -0.482 -13.403 8.117 134 2HB ARG 21 2HB ARG 21 1.082 -12.644 8.217 135 1HG ARG 21 1HG ARG 21 0.633 -11.080 6.595 136 2HG ARG 21 2HG ARG 21 -1.068 -10.952 6.984 137 1HD ARG 21 1HD ARG 21 -0.683 -12.012 4.768 138 2HD ARG 21 2HD ARG 21 -1.547 -13.082 5.850 139 HE ARG 21 HE ARG 21 1.335 -13.301 5.090 140 1HH1 ARG 21 1HH1 ARG 21 -0.770 -16.249 6.715 141 2HH1 ARG 21 2HH1 ARG 21 -1.489 -14.681 6.602 142 1HH2 ARG 21 1HH2 ARG 21 2.232 -15.272 5.251 143 2HH2 ARG 21 2HH2 ARG 21 1.354 -16.591 5.953 144 H GLY 22 H GLY 22 -2.363 -10.017 9.871 145 1HA GLY 22 1HA GLY 22 -0.933 -7.737 8.576 146 2HA GLY 22 2HA GLY 22 -1.444 -7.543 10.245 147 H LYS 23 H LYS 23 -3.820 -9.283 9.481 148 HA LYS 23 HA LYS 23 -5.584 -7.073 8.594 149 1HB LYS 23 1HB LYS 23 -6.774 -8.923 7.142 150 2HB LYS 23 2HB LYS 23 -5.272 -9.807 7.296 151 1HG LYS 23 1HG LYS 23 -4.063 -7.785 6.350 152 2HG LYS 23 2HG LYS 23 -5.620 -7.040 6.073 153 1HD LYS 23 1HD LYS 23 -5.396 -8.043 4.003 154 2HD LYS 23 2HD LYS 23 -6.088 -9.420 4.835 155 1HE LYS 23 1HE LYS 23 -4.130 -10.264 3.729 156 2HE LYS 23 2HE LYS 23 -3.653 -10.107 5.413 157 1HZ LYS 23 1HZ LYS 23 -2.531 -8.107 4.960 158 2HZ LYS 23 2HZ LYS 23 -3.198 -7.988 3.404 159 3HZ LYS 23 3HZ LYS 23 -2.062 -9.202 3.748 160 H CYS 24 H CYS 24 -7.326 -7.071 9.992 161 HA CYS 24 HA CYS 24 -7.384 -8.981 12.097 162 1HB CYS 24 1HB CYS 24 -9.548 -7.899 12.722 163 2HB CYS 24 2HB CYS 24 -9.544 -7.056 11.218 164 H VAL 25 H VAL 25 -8.564 -10.567 12.630 165 HA VAL 25 HA VAL 25 -10.725 -11.621 10.981 166 HB VAL 25 HB VAL 25 -9.464 -13.884 11.156 167 1HG1 VAL 25 1HG1 VAL 25 -8.537 -13.641 8.923 168 2HG1 VAL 25 2HG1 VAL 25 -8.325 -11.911 9.128 169 3HG1 VAL 25 3HG1 VAL 25 -9.939 -12.588 8.996 170 1HG2 VAL 25 1HG2 VAL 25 -7.165 -13.946 11.461 171 2HG2 VAL 25 2HG2 VAL 25 -7.558 -12.624 12.530 172 3HG2 VAL 25 3HG2 VAL 25 -6.919 -12.292 10.936 173 H SER 26 H SER 26 -11.979 -12.949 12.153 174 HA SER 26 HA SER 26 -12.273 -12.578 14.901 175 1HB SER 26 1HB SER 26 -13.207 -14.898 13.195 176 2HB SER 26 2HB SER 26 -14.137 -13.472 13.708 177 HG SER 26 HG SER 26 -13.191 -15.634 15.236 178 H ILE 27 H ILE 27 -11.492 -13.387 16.625 179 HA ILE 27 HA ILE 27 -9.054 -14.820 16.763 180 HB ILE 27 HB ILE 27 -10.017 -15.361 19.234 181 1HG1 ILE 27 1HG1 ILE 27 -11.575 -12.841 18.647 182 2HG1 ILE 27 2HG1 ILE 27 -11.522 -13.759 20.120 183 1HG2 ILE 27 1HG2 ILE 27 -8.097 -13.884 18.716 184 2HG2 ILE 27 2HG2 ILE 27 -9.123 -13.137 19.934 185 3HG2 ILE 27 3HG2 ILE 27 -9.210 -12.594 18.268 186 1HD1 ILE 27 1HD1 ILE 27 -12.482 -15.707 18.746 187 2HD1 ILE 27 2HD1 ILE 27 -12.949 -14.474 17.578 188 3HD1 ILE 27 3HD1 ILE 27 -13.556 -14.400 19.221 189 H TYR 28 H TYR 28 -12.237 -15.924 16.391 190 HA TYR 28 HA TYR 28 -11.661 -18.717 17.146 191 1HB TYR 28 1HB TYR 28 -14.065 -19.064 16.507 192 2HB TYR 28 2HB TYR 28 -14.165 -17.398 15.980 193 HD1 TYR 28 HD1 TYR 28 -15.609 -16.333 17.498 194 HD2 TYR 28 HD2 TYR 28 -12.548 -18.858 19.067 195 HE1 TYR 28 HE1 TYR 28 -16.179 -15.628 19.769 196 HE2 TYR 28 HE2 TYR 28 -13.125 -18.146 21.327 197 HH TYR 28 HH TYR 28 -14.628 -15.581 22.131 198 H GLY 29 H GLY 29 -12.547 -16.820 14.318 199 1HA GLY 29 1HA GLY 29 -12.060 -17.111 12.040 200 2HA GLY 29 2HA GLY 29 -12.540 -18.786 12.327 201 H GLU 30 H GLU 30 -9.893 -16.814 13.478 202 HA GLU 30 HA GLU 30 -7.881 -18.861 12.828 203 1HB GLU 30 1HB GLU 30 -7.664 -15.894 12.138 204 2HB GLU 30 2HB GLU 30 -7.979 -17.153 10.964 205 1HG GLU 30 1HG GLU 30 -5.691 -17.105 10.752 206 2HG GLU 30 2HG GLU 30 -5.794 -18.255 12.077 Start of MODEL 9 1 1H SER 1 1H SER 1 -11.438 3.670 19.533 2 2H SER 1 2H SER 1 -12.243 4.922 18.714 3 3H SER 1 3H SER 1 -10.572 4.705 18.503 4 HA SER 1 HA SER 1 -12.797 3.063 17.500 5 1HB SER 1 1HB SER 1 -10.284 3.886 15.972 6 2HB SER 1 2HB SER 1 -11.593 5.053 16.201 7 HG SER 1 HG SER 1 -11.598 2.592 14.874 8 H CYS 2 H CYS 2 -11.483 1.465 15.872 9 HA CYS 2 HA CYS 2 -9.261 0.014 17.063 10 1HB CYS 2 1HB CYS 2 -11.144 -0.746 18.509 11 2HB CYS 2 2HB CYS 2 -10.455 -2.040 17.573 12 H SER 3 H SER 3 -8.628 -1.836 15.787 13 HA SER 3 HA SER 3 -9.094 -1.413 12.931 14 1HB SER 3 1HB SER 3 -7.386 -3.589 13.076 15 2HB SER 3 2HB SER 3 -7.132 -2.887 14.661 16 HG SER 3 HG SER 3 -5.833 -2.047 12.982 17 H GLY 4 H GLY 4 -11.142 -2.129 12.379 18 1HA GLY 4 1HA GLY 4 -12.979 -3.584 12.190 19 2HA GLY 4 2HA GLY 4 -12.245 -4.578 13.422 20 H ARG 5 H ARG 5 -13.253 -6.010 11.412 21 HA ARG 5 HA ARG 5 -11.342 -7.711 10.515 22 1HB ARG 5 1HB ARG 5 -12.988 -8.063 8.465 23 2HB ARG 5 2HB ARG 5 -13.975 -6.875 9.297 24 1HG ARG 5 1HG ARG 5 -13.898 -8.294 11.368 25 2HG ARG 5 2HG ARG 5 -12.948 -9.487 10.498 26 1HD ARG 5 1HD ARG 5 -15.729 -8.608 9.615 27 2HD ARG 5 2HD ARG 5 -15.397 -10.031 10.595 28 HE ARG 5 HE ARG 5 -14.063 -9.692 7.941 29 1HH1 ARG 5 1HH1 ARG 5 -15.058 -12.800 7.003 30 2HH1 ARG 5 2HH1 ARG 5 -14.135 -11.391 6.599 31 1HH2 ARG 5 1HH2 ARG 5 -16.165 -11.516 10.045 32 2HH2 ARG 5 2HH2 ARG 5 -16.216 -12.863 8.964 33 H ASP 6 H ASP 6 -9.770 -7.797 9.324 34 HA ASP 6 HA ASP 6 -8.297 -7.651 7.582 35 1HB ASP 6 1HB ASP 6 -9.655 -5.466 6.073 36 2HB ASP 6 2HB ASP 6 -10.621 -6.910 6.315 37 H SER 7 H SER 7 -8.884 -5.215 9.672 38 HA SER 7 HA SER 7 -7.114 -3.180 8.543 39 1HB SER 7 1HB SER 7 -7.482 -2.094 10.824 40 2HB SER 7 2HB SER 7 -8.376 -3.552 11.282 41 HG SER 7 HG SER 7 -8.900 -1.869 9.076 42 H ARG 8 H ARG 8 -5.111 -2.500 9.473 43 HA ARG 8 HA ARG 8 -3.214 -4.538 9.856 44 1HB ARG 8 1HB ARG 8 -2.705 -2.234 9.060 45 2HB ARG 8 2HB ARG 8 -1.636 -2.713 10.355 46 1HG ARG 8 1HG ARG 8 -4.139 -1.274 11.209 47 2HG ARG 8 2HG ARG 8 -3.007 -0.327 10.275 48 1HD ARG 8 1HD ARG 8 -1.877 -1.982 12.531 49 2HD ARG 8 2HD ARG 8 -2.755 -0.512 12.937 50 HE ARG 8 HE ARG 8 -1.014 0.246 10.899 51 1HH1 ARG 8 1HH1 ARG 8 1.804 0.795 12.750 52 2HH1 ARG 8 2HH1 ARG 8 0.968 1.106 11.264 53 1HH2 ARG 8 1HH2 ARG 8 -0.748 -1.207 14.035 54 2HH2 ARG 8 2HH2 ARG 8 0.816 -0.532 14.342 55 H CYS 9 H CYS 9 -2.518 -5.639 11.574 56 HA CYS 9 HA CYS 9 -2.749 -4.741 14.300 57 1HB CYS 9 1HB CYS 9 -4.905 -5.543 14.251 58 2HB CYS 9 2HB CYS 9 -4.068 -7.013 14.672 59 HA HYP 10 HA HYP 10 -3.104 -6.166 16.193 60 1HB HYP 10 1HB HYP 10 -3.385 -8.294 16.936 61 2HB HYP 10 2HB HYP 10 -2.186 -7.855 18.147 62 1HD HYP 10 1HD1 HYP 10 -0.581 -8.864 14.443 63 2HD HYP 10 2HD1 HYP 10 0.379 -7.862 15.557 64 HOD HYP 10 HD2 HYP 10 -1.452 -10.505 15.347 65 HG HYP 10 HG HYP 10 -0.581 -9.314 17.210 66 HA HYP 11 HA HYP 11 -3.268 -6.413 18.822 67 1HB HYP 11 1HB HYP 11 -2.134 -6.618 20.871 68 2HB HYP 11 2HB HYP 11 -2.982 -5.133 21.256 69 1HD HYP 11 1HD1 HYP 11 0.438 -4.646 18.883 70 2HD HYP 11 2HD1 HYP 11 -0.798 -3.377 18.949 71 HOD HYP 11 HD2 HYP 11 0.905 -5.377 20.951 72 HG HYP 11 HG HYP 11 -0.904 -4.022 21.280 73 H VAL 12 H VAL 12 -3.412 -4.620 16.942 74 HA VAL 12 HA VAL 12 -4.695 -2.166 17.893 75 HB VAL 12 HB VAL 12 -4.456 -3.046 15.027 76 1HG1 VAL 12 1HG1 VAL 12 -4.464 -0.267 16.303 77 2HG1 VAL 12 2HG1 VAL 12 -5.847 -1.006 15.517 78 3HG1 VAL 12 3HG1 VAL 12 -4.425 -0.603 14.580 79 1HG2 VAL 12 1HG2 VAL 12 -2.176 -3.225 15.886 80 2HG2 VAL 12 2HG2 VAL 12 -2.331 -1.718 16.775 81 3HG2 VAL 12 3HG2 VAL 12 -2.269 -1.704 15.020 82 H CYS 13 H CYS 13 -5.613 -5.156 16.389 83 HA CYS 13 HA CYS 13 -8.114 -4.526 15.395 84 1HB CYS 13 1HB CYS 13 -8.674 -6.908 15.844 85 2HB CYS 13 2HB CYS 13 -7.143 -7.045 16.653 86 H CYS 14 H CYS 14 -10.123 -5.019 15.906 87 HA CYS 14 HA CYS 14 -11.097 -3.936 18.362 88 1HB CYS 14 1HB CYS 14 -13.335 -4.485 17.337 89 2HB CYS 14 2HB CYS 14 -12.534 -5.453 16.167 90 H MET 15 H MET 15 -12.806 -5.134 19.646 91 HA MET 15 HA MET 15 -11.614 -7.399 20.866 92 1HB MET 15 1HB MET 15 -14.564 -6.990 21.296 93 2HB MET 15 2HB MET 15 -13.564 -5.590 21.601 94 1HG MET 15 1HG MET 15 -13.265 -6.466 23.635 95 2HG MET 15 2HG MET 15 -12.102 -7.516 22.894 96 1HE MET 15 1HE MET 15 -12.024 -9.759 22.895 97 2HE MET 15 2HE MET 15 -13.345 -10.165 21.778 98 3HE MET 15 3HE MET 15 -13.243 -10.911 23.373 99 H GLY 16 H GLY 16 -11.426 -9.289 19.964 100 1HA GLY 16 1HA GLY 16 -13.719 -10.527 18.490 101 2HA GLY 16 2HA GLY 16 -12.569 -11.422 19.483 102 H LEU 17 H LEU 17 -11.166 -8.891 17.710 103 HA LEU 17 HA LEU 17 -10.367 -10.655 15.459 104 1HB LEU 17 1HB LEU 17 -9.560 -8.343 14.576 105 2HB LEU 17 2HB LEU 17 -10.499 -7.699 15.890 106 HG LEU 17 HG LEU 17 -12.518 -8.919 15.008 107 1HD1 LEU 17 1HD1 LEU 17 -11.780 -6.413 14.648 108 2HD1 LEU 17 2HD1 LEU 17 -12.992 -7.026 13.535 109 3HD1 LEU 17 3HD1 LEU 17 -11.305 -6.920 13.059 110 1HD2 LEU 17 1HD2 LEU 17 -11.732 -8.930 12.244 111 2HD2 LEU 17 2HD2 LEU 17 -12.267 -10.291 13.208 112 3HD2 LEU 17 3HD2 LEU 17 -10.558 -9.877 13.120 113 H MET 18 H MET 18 -8.270 -10.966 14.941 114 HA MET 18 HA MET 18 -6.085 -9.903 16.701 115 1HB MET 18 1HB MET 18 -6.655 -12.346 17.279 116 2HB MET 18 2HB MET 18 -5.021 -12.120 16.716 117 1HG MET 18 1HG MET 18 -6.597 -12.616 14.401 118 2HG MET 18 2HG MET 18 -7.084 -13.776 15.592 119 1HE MET 18 1HE MET 18 -4.580 -16.352 15.735 120 2HE MET 18 2HE MET 18 -6.078 -15.643 16.281 121 3HE MET 18 3HE MET 18 -4.545 -15.120 17.004 122 H CYS 19 H CYS 19 -4.368 -11.685 14.704 123 HA CYS 19 HA CYS 19 -4.960 -10.207 12.196 124 1HB CYS 19 1HB CYS 19 -2.147 -9.941 12.946 125 2HB CYS 19 2HB CYS 19 -3.257 -9.091 13.987 126 H SER 20 H SER 20 -4.805 -11.333 10.581 127 HA SER 20 HA SER 20 -3.341 -13.852 10.482 128 1HB SER 20 1HB SER 20 -4.414 -13.659 7.982 129 2HB SER 20 2HB SER 20 -5.431 -12.448 8.778 130 HG SER 20 HG SER 20 -6.442 -14.169 9.449 131 H ARG 21 H ARG 21 -1.479 -12.466 10.923 132 HA ARG 21 HA ARG 21 0.623 -11.746 10.335 133 1HB ARG 21 1HB ARG 21 1.475 -12.172 8.134 134 2HB ARG 21 2HB ARG 21 -0.108 -12.100 7.390 135 1HG ARG 21 1HG ARG 21 -0.767 -14.194 8.315 136 2HG ARG 21 2HG ARG 21 0.492 -14.153 9.535 137 1HD ARG 21 1HD ARG 21 1.155 -15.758 7.810 138 2HD ARG 21 2HD ARG 21 2.207 -14.355 7.643 139 HE ARG 21 HE ARG 21 -0.055 -13.922 5.992 140 1HH1 ARG 21 1HH1 ARG 21 2.719 -16.389 4.569 141 2HH1 ARG 21 2HH1 ARG 21 2.644 -16.079 6.270 142 1HH2 ARG 21 1HH2 ARG 21 0.024 -14.299 3.831 143 2HH2 ARG 21 2HH2 ARG 21 1.217 -15.367 3.167 144 H GLY 22 H GLY 22 -2.065 -10.024 9.835 145 1HA GLY 22 1HA GLY 22 -0.792 -7.813 8.301 146 2HA GLY 22 2HA GLY 22 -1.100 -7.497 9.996 147 H LYS 23 H LYS 23 -3.606 -9.362 9.192 148 HA LYS 23 HA LYS 23 -5.364 -7.021 8.597 149 1HB LYS 23 1HB LYS 23 -6.660 -8.695 7.068 150 2HB LYS 23 2HB LYS 23 -5.212 -9.678 7.128 151 1HG LYS 23 1HG LYS 23 -3.905 -7.652 6.301 152 2HG LYS 23 2HG LYS 23 -5.437 -6.827 6.083 153 1HD LYS 23 1HD LYS 23 -6.158 -8.600 4.477 154 2HD LYS 23 2HD LYS 23 -4.656 -9.459 4.751 155 1HE LYS 23 1HE LYS 23 -4.523 -8.102 2.673 156 2HE LYS 23 2HE LYS 23 -3.363 -7.530 3.863 157 1HZ LYS 23 1HZ LYS 23 -5.970 -6.301 3.990 158 2HZ LYS 23 2HZ LYS 23 -5.088 -5.966 2.580 159 3HZ LYS 23 3HZ LYS 23 -4.428 -5.600 4.103 160 H CYS 24 H CYS 24 -7.112 -7.038 9.993 161 HA CYS 24 HA CYS 24 -7.178 -8.984 12.050 162 1HB CYS 24 1HB CYS 24 -9.355 -7.948 12.692 163 2HB CYS 24 2HB CYS 24 -9.381 -7.075 11.201 164 H VAL 25 H VAL 25 -8.362 -10.595 12.548 165 HA VAL 25 HA VAL 25 -10.459 -11.635 10.796 166 HB VAL 25 HB VAL 25 -9.231 -13.896 11.035 167 1HG1 VAL 25 1HG1 VAL 25 -8.191 -13.661 8.850 168 2HG1 VAL 25 2HG1 VAL 25 -7.956 -11.935 9.078 169 3HG1 VAL 25 3HG1 VAL 25 -9.573 -12.584 8.859 170 1HG2 VAL 25 1HG2 VAL 25 -7.384 -12.627 12.499 171 2HG2 VAL 25 2HG2 VAL 25 -6.640 -12.378 10.938 172 3HG2 VAL 25 3HG2 VAL 25 -6.966 -14.007 11.514 173 H SER 26 H SER 26 -11.802 -12.873 11.878 174 HA SER 26 HA SER 26 -12.117 -12.562 14.661 175 1HB SER 26 1HB SER 26 -13.702 -14.746 14.111 176 2HB SER 26 2HB SER 26 -13.479 -14.061 12.493 177 HG SER 26 HG SER 26 -14.056 -12.038 13.343 178 H ILE 27 H ILE 27 -11.173 -13.446 16.210 179 HA ILE 27 HA ILE 27 -9.145 -15.420 16.174 180 HB ILE 27 HB ILE 27 -9.356 -15.385 18.585 181 1HG1 ILE 27 1HG1 ILE 27 -12.054 -14.226 18.023 182 2HG1 ILE 27 2HG1 ILE 27 -11.188 -13.474 19.343 183 1HG2 ILE 27 1HG2 ILE 27 -9.497 -12.546 18.478 184 2HG2 ILE 27 2HG2 ILE 27 -8.939 -13.041 16.896 185 3HG2 ILE 27 3HG2 ILE 27 -8.073 -13.550 18.333 186 1HD1 ILE 27 1HD1 ILE 27 -12.366 -15.272 20.328 187 2HD1 ILE 27 2HD1 ILE 27 -10.700 -15.823 20.211 188 3HD1 ILE 27 3HD1 ILE 27 -11.895 -16.396 19.063 189 H TYR 28 H TYR 28 -12.493 -15.536 16.620 190 HA TYR 28 HA TYR 28 -12.963 -18.113 17.676 191 1HB TYR 28 1HB TYR 28 -15.240 -17.811 16.891 192 2HB TYR 28 2HB TYR 28 -14.736 -16.734 15.601 193 HD1 TYR 28 HD1 TYR 28 -14.946 -17.020 19.323 194 HD2 TYR 28 HD2 TYR 28 -14.500 -14.385 16.008 195 HE1 TYR 28 HE1 TYR 28 -15.200 -15.091 20.811 196 HE2 TYR 28 HE2 TYR 28 -14.751 -12.465 17.494 197 HH TYR 28 HH TYR 28 -14.388 -11.976 19.939 198 H GLY 29 H GLY 29 -12.947 -17.075 14.300 199 1HA GLY 29 1HA GLY 29 -12.680 -18.255 12.303 200 2HA GLY 29 2HA GLY 29 -13.083 -19.721 13.197 201 H GLU 30 H GLU 30 -10.516 -17.344 13.578 202 HA GLU 30 HA GLU 30 -8.451 -19.349 13.922 203 1HB GLU 30 1HB GLU 30 -8.537 -17.452 11.526 204 2HB GLU 30 2HB GLU 30 -8.557 -19.201 11.471 205 1HG GLU 30 1HG GLU 30 -6.315 -19.207 11.369 206 2HG GLU 30 2HG GLU 30 -6.258 -18.570 13.004 Start of MODEL 10 1 1H SER 1 1H SER 1 -12.391 4.781 18.305 2 2H SER 1 2H SER 1 -11.127 3.953 19.081 3 3H SER 1 3H SER 1 -12.614 3.177 18.817 4 HA SER 1 HA SER 1 -12.289 3.241 16.452 5 1HB SER 1 1HB SER 1 -10.030 4.010 15.575 6 2HB SER 1 2HB SER 1 -9.645 4.606 17.200 7 HG SER 1 HG SER 1 -11.708 5.395 15.450 8 H CYS 2 H CYS 2 -11.546 1.377 15.596 9 HA CYS 2 HA CYS 2 -9.353 -0.150 16.811 10 1HB CYS 2 1HB CYS 2 -11.402 -0.653 18.210 11 2HB CYS 2 2HB CYS 2 -10.636 -2.029 17.475 12 H SER 3 H SER 3 -8.665 -1.872 15.543 13 HA SER 3 HA SER 3 -9.245 -1.591 12.694 14 1HB SER 3 1HB SER 3 -7.383 -3.644 12.867 15 2HB SER 3 2HB SER 3 -7.137 -2.871 14.425 16 HG SER 3 HG SER 3 -6.967 -0.889 13.380 17 H GLY 4 H GLY 4 -11.211 -2.445 12.167 18 1HA GLY 4 1HA GLY 4 -13.007 -3.967 12.107 19 2HA GLY 4 2HA GLY 4 -12.204 -4.877 13.359 20 H ARG 5 H ARG 5 -13.153 -6.482 11.502 21 HA ARG 5 HA ARG 5 -11.159 -8.087 10.587 22 1HB ARG 5 1HB ARG 5 -12.878 -8.695 8.666 23 2HB ARG 5 2HB ARG 5 -13.919 -7.547 9.489 24 1HG ARG 5 1HG ARG 5 -13.605 -8.828 11.620 25 2HG ARG 5 2HG ARG 5 -12.578 -9.970 10.771 26 1HD ARG 5 1HD ARG 5 -14.399 -10.736 9.406 27 2HD ARG 5 2HD ARG 5 -15.463 -9.441 9.964 28 HE ARG 5 HE ARG 5 -15.038 -10.524 12.311 29 1HH1 ARG 5 1HH1 ARG 5 -16.138 -13.744 12.329 30 2HH1 ARG 5 2HH1 ARG 5 -15.778 -12.337 13.278 31 1HH2 ARG 5 1HH2 ARG 5 -15.280 -12.282 9.306 32 2HH2 ARG 5 2HH2 ARG 5 -15.874 -13.697 10.106 33 H ASP 6 H ASP 6 -9.632 -8.069 9.316 34 HA ASP 6 HA ASP 6 -8.389 -7.924 7.332 35 1HB ASP 6 1HB ASP 6 -10.056 -5.621 6.275 36 2HB ASP 6 2HB ASP 6 -10.706 -7.250 6.220 37 H SER 7 H SER 7 -8.930 -5.438 9.540 38 HA SER 7 HA SER 7 -7.060 -3.505 8.411 39 1HB SER 7 1HB SER 7 -7.491 -2.322 10.608 40 2HB SER 7 2HB SER 7 -8.417 -3.746 11.115 41 HG SER 7 HG SER 7 -8.856 -2.285 8.737 42 H ARG 8 H ARG 8 -5.125 -2.779 9.419 43 HA ARG 8 HA ARG 8 -3.237 -4.810 9.923 44 1HB ARG 8 1HB ARG 8 -2.708 -2.556 9.011 45 2HB ARG 8 2HB ARG 8 -1.662 -2.979 10.341 46 1HG ARG 8 1HG ARG 8 -4.162 -1.470 11.079 47 2HG ARG 8 2HG ARG 8 -2.987 -0.583 10.135 48 1HD ARG 8 1HD ARG 8 -2.062 -2.157 12.551 49 2HD ARG 8 2HD ARG 8 -2.749 -0.551 12.752 50 HE ARG 8 HE ARG 8 -0.919 -0.084 10.807 51 1HH1 ARG 8 1HH1 ARG 8 2.072 -0.225 12.438 52 2HH1 ARG 8 2HH1 ARG 8 1.203 0.361 11.059 53 1HH2 ARG 8 1HH2 ARG 8 -0.707 -1.832 13.805 54 2HH2 ARG 8 2HH2 ARG 8 0.974 -1.481 14.010 55 H CYS 9 H CYS 9 -2.514 -5.788 11.686 56 HA CYS 9 HA CYS 9 -2.786 -4.756 14.364 57 1HB CYS 9 1HB CYS 9 -4.905 -5.603 14.368 58 2HB CYS 9 2HB CYS 9 -4.054 -7.057 14.820 59 HA HYP 10 HA HYP 10 -3.141 -6.079 16.319 60 1HB HYP 10 1HB HYP 10 -3.428 -8.177 17.131 61 2HB HYP 10 2HB HYP 10 -2.268 -7.680 18.359 62 1HD HYP 10 1HD1 HYP 10 -0.525 -8.807 14.746 63 2HD HYP 10 2HD1 HYP 10 0.372 -7.743 15.857 64 HOD HYP 10 HD2 HYP 10 -1.491 -10.317 15.537 65 HG HYP 10 HG HYP 10 -0.626 -9.166 17.524 66 HA HYP 11 HA HYP 11 -3.392 -6.215 18.936 67 1HB HYP 11 1HB HYP 11 -2.338 -6.318 21.039 68 2HB HYP 11 2HB HYP 11 -3.210 -4.824 21.317 69 1HD HYP 11 1HD1 HYP 11 0.306 -4.443 19.069 70 2HD HYP 11 2HD1 HYP 11 -0.926 -3.168 19.018 71 HOD HYP 11 HD2 HYP 11 -0.417 -5.777 22.031 72 HG HYP 11 HG HYP 11 -1.147 -3.690 21.366 73 H VAL 12 H VAL 12 -3.435 -4.494 16.974 74 HA VAL 12 HA VAL 12 -4.741 -1.997 17.748 75 HB VAL 12 HB VAL 12 -4.433 -3.068 14.962 76 1HG1 VAL 12 1HG1 VAL 12 -5.856 -1.037 15.192 77 2HG1 VAL 12 2HG1 VAL 12 -4.370 -0.623 14.368 78 3HG1 VAL 12 3HG1 VAL 12 -4.572 -0.218 16.063 79 1HG2 VAL 12 1HG2 VAL 12 -2.380 -1.601 16.688 80 2HG2 VAL 12 2HG2 VAL 12 -2.254 -1.667 14.938 81 3HG2 VAL 12 3HG2 VAL 12 -2.170 -3.146 15.875 82 H CYS 13 H CYS 13 -5.661 -5.081 16.421 83 HA CYS 13 HA CYS 13 -8.160 -4.377 15.392 84 1HB CYS 13 1HB CYS 13 -8.774 -6.727 15.750 85 2HB CYS 13 2HB CYS 13 -7.305 -6.952 16.652 86 H CYS 14 H CYS 14 -10.137 -5.025 15.928 87 HA CYS 14 HA CYS 14 -11.167 -3.875 18.330 88 1HB CYS 14 1HB CYS 14 -13.368 -4.573 17.309 89 2HB CYS 14 2HB CYS 14 -12.497 -5.607 16.253 90 H MET 15 H MET 15 -12.733 -5.076 19.742 91 HA MET 15 HA MET 15 -11.408 -7.254 21.011 92 1HB MET 15 1HB MET 15 -14.335 -6.462 21.365 93 2HB MET 15 2HB MET 15 -13.014 -5.569 22.086 94 1HG MET 15 1HG MET 15 -12.654 -7.127 23.689 95 2HG MET 15 2HG MET 15 -12.825 -8.469 22.600 96 1HE MET 15 1HE MET 15 -14.594 -10.054 22.536 97 2HE MET 15 2HE MET 15 -15.562 -8.899 21.590 98 3HE MET 15 3HE MET 15 -16.266 -9.749 22.956 99 H GLY 16 H GLY 16 -11.216 -9.176 20.108 100 1HA GLY 16 1HA GLY 16 -13.560 -10.447 18.742 101 2HA GLY 16 2HA GLY 16 -12.442 -11.326 19.785 102 H LEU 17 H LEU 17 -11.147 -8.815 17.839 103 HA LEU 17 HA LEU 17 -10.236 -10.674 15.719 104 1HB LEU 17 1HB LEU 17 -9.510 -8.376 14.729 105 2HB LEU 17 2HB LEU 17 -10.515 -7.700 15.985 106 HG LEU 17 HG LEU 17 -12.426 -9.108 15.152 107 1HD1 LEU 17 1HD1 LEU 17 -12.803 -7.511 13.181 108 2HD1 LEU 17 2HD1 LEU 17 -11.150 -6.963 13.398 109 3HD1 LEU 17 3HD1 LEU 17 -12.335 -6.707 14.656 110 1HD2 LEU 17 1HD2 LEU 17 -10.415 -10.208 13.521 111 2HD2 LEU 17 2HD2 LEU 17 -11.307 -9.202 12.417 112 3HD2 LEU 17 3HD2 LEU 17 -12.142 -10.467 13.305 113 H MET 18 H MET 18 -8.148 -10.975 15.247 114 HA MET 18 HA MET 18 -5.997 -9.784 16.954 115 1HB MET 18 1HB MET 18 -6.502 -12.167 17.680 116 2HB MET 18 2HB MET 18 -4.900 -12.021 16.996 117 1HG MET 18 1HG MET 18 -6.461 -12.609 14.770 118 2HG MET 18 2HG MET 18 -7.225 -13.515 16.028 119 1HE MET 18 1HE MET 18 -6.635 -16.071 16.227 120 2HE MET 18 2HE MET 18 -5.983 -15.120 17.583 121 3HE MET 18 3HE MET 18 -5.003 -16.354 16.829 122 H CYS 19 H CYS 19 -4.352 -11.742 14.963 123 HA CYS 19 HA CYS 19 -4.880 -10.316 12.430 124 1HB CYS 19 1HB CYS 19 -2.081 -9.964 13.206 125 2HB CYS 19 2HB CYS 19 -3.225 -9.108 14.203 126 H SER 20 H SER 20 -4.706 -11.515 10.862 127 HA SER 20 HA SER 20 -3.115 -13.966 10.849 128 1HB SER 20 1HB SER 20 -4.242 -13.964 8.367 129 2HB SER 20 2HB SER 20 -5.320 -12.781 9.119 130 HG SER 20 HG SER 20 -6.219 -14.521 9.882 131 H ARG 21 H ARG 21 -1.300 -12.454 11.140 132 HA ARG 21 HA ARG 21 0.768 -11.776 10.408 133 1HB ARG 21 1HB ARG 21 -0.095 -13.322 8.262 134 2HB ARG 21 2HB ARG 21 1.479 -12.594 8.384 135 1HG ARG 21 1HG ARG 21 0.992 -10.846 6.908 136 2HG ARG 21 2HG ARG 21 -0.743 -10.976 7.124 137 1HD ARG 21 1HD ARG 21 0.770 -13.295 5.894 138 2HD ARG 21 2HD ARG 21 0.320 -11.902 4.907 139 HE ARG 21 HE ARG 21 -1.899 -12.809 6.482 140 1HH1 ARG 21 1HH1 ARG 21 -1.335 -14.360 2.867 141 2HH1 ARG 21 2HH1 ARG 21 -0.033 -13.539 3.662 142 1HH2 ARG 21 1HH2 ARG 21 -3.554 -13.852 5.521 143 2HH2 ARG 21 2HH2 ARG 21 -3.375 -14.544 3.940 144 H GLY 22 H GLY 22 -2.056 -10.079 9.994 145 1HA GLY 22 1HA GLY 22 -0.759 -7.731 8.704 146 2HA GLY 22 2HA GLY 22 -1.260 -7.552 10.378 147 H LYS 23 H LYS 23 -3.553 -9.453 9.571 148 HA LYS 23 HA LYS 23 -5.420 -7.312 8.681 149 1HB LYS 23 1HB LYS 23 -6.547 -9.057 7.195 150 2HB LYS 23 2HB LYS 23 -5.174 -10.110 7.486 151 1HG LYS 23 1HG LYS 23 -3.702 -8.187 6.600 152 2HG LYS 23 2HG LYS 23 -5.178 -7.403 6.097 153 1HD LYS 23 1HD LYS 23 -4.790 -10.285 5.258 154 2HD LYS 23 2HD LYS 23 -3.716 -9.120 4.525 155 1HE LYS 23 1HE LYS 23 -5.342 -8.584 3.048 156 2HE LYS 23 2HE LYS 23 -6.324 -7.955 4.355 157 1HZ LYS 23 1HZ LYS 23 -6.535 -10.711 4.468 158 2HZ LYS 23 2HZ LYS 23 -6.700 -10.280 2.832 159 3HZ LYS 23 3HZ LYS 23 -7.708 -9.577 4.000 160 H CYS 24 H CYS 24 -7.092 -7.310 10.091 161 HA CYS 24 HA CYS 24 -7.158 -9.137 12.256 162 1HB CYS 24 1HB CYS 24 -9.333 -8.073 12.821 163 2HB CYS 24 2HB CYS 24 -9.379 -7.332 11.258 164 H VAL 25 H VAL 25 -8.214 -10.776 12.791 165 HA VAL 25 HA VAL 25 -10.362 -11.987 11.222 166 HB VAL 25 HB VAL 25 -9.001 -14.183 11.526 167 1HG1 VAL 25 1HG1 VAL 25 -9.583 -13.152 9.298 168 2HG1 VAL 25 2HG1 VAL 25 -8.054 -14.009 9.261 169 3HG1 VAL 25 3HG1 VAL 25 -8.073 -12.255 9.348 170 1HG2 VAL 25 1HG2 VAL 25 -6.501 -12.592 11.083 171 2HG2 VAL 25 2HG2 VAL 25 -6.717 -14.139 11.891 172 3HG2 VAL 25 3HG2 VAL 25 -7.104 -12.652 12.721 173 H SER 26 H SER 26 -11.553 -13.316 12.545 174 HA SER 26 HA SER 26 -11.603 -12.729 15.302 175 1HB SER 26 1HB SER 26 -13.386 -13.830 13.571 176 2HB SER 26 2HB SER 26 -13.568 -13.945 15.315 177 HG SER 26 HG SER 26 -12.581 -15.847 13.509 178 H ILE 27 H ILE 27 -10.873 -13.627 17.025 179 HA ILE 27 HA ILE 27 -8.497 -15.029 17.207 180 HB ILE 27 HB ILE 27 -9.545 -15.735 19.582 181 1HG1 ILE 27 1HG1 ILE 27 -11.253 -13.282 19.160 182 2HG1 ILE 27 2HG1 ILE 27 -11.261 -14.431 20.460 183 1HG2 ILE 27 1HG2 ILE 27 -7.732 -14.087 19.248 184 2HG2 ILE 27 2HG2 ILE 27 -8.888 -13.478 20.425 185 3HG2 ILE 27 3HG2 ILE 27 -8.916 -12.871 18.777 186 1HD1 ILE 27 1HD1 ILE 27 -13.203 -14.899 19.252 187 2HD1 ILE 27 2HD1 ILE 27 -12.067 -16.163 18.813 188 3HD1 ILE 27 3HD1 ILE 27 -12.406 -14.846 17.697 189 H TYR 28 H TYR 28 -11.587 -16.246 16.596 190 HA TYR 28 HA TYR 28 -11.010 -19.039 17.309 191 1HB TYR 28 1HB TYR 28 -13.269 -19.454 16.280 192 2HB TYR 28 2HB TYR 28 -13.324 -17.793 15.723 193 HD1 TYR 28 HD1 TYR 28 -12.268 -19.286 19.028 194 HD2 TYR 28 HD2 TYR 28 -14.945 -16.659 16.997 195 HE1 TYR 28 HE1 TYR 28 -13.193 -18.572 21.165 196 HE2 TYR 28 HE2 TYR 28 -15.868 -15.953 19.148 197 HH TYR 28 HH TYR 28 -15.267 -17.603 22.050 198 H GLY 29 H GLY 29 -11.564 -17.180 14.360 199 1HA GLY 29 1HA GLY 29 -10.531 -19.274 12.637 200 2HA GLY 29 2HA GLY 29 -9.510 -17.833 12.755 201 H GLU 30 H GLU 30 -12.984 -18.320 12.752 202 HA GLU 30 HA GLU 30 -13.308 -16.951 10.149 203 1HB GLU 30 1HB GLU 30 -15.402 -18.279 11.948 204 2HB GLU 30 2HB GLU 30 -14.463 -19.126 10.743 205 1HG GLU 30 1HG GLU 30 -16.421 -18.634 9.543 206 2HG GLU 30 2HG GLU 30 -15.367 -17.318 9.055 Start of MODEL 11 1 1H SER 1 1H SER 1 -12.592 4.653 18.910 2 2H SER 1 2H SER 1 -11.345 3.738 19.613 3 3H SER 1 3H SER 1 -12.851 3.019 19.298 4 HA SER 1 HA SER 1 -12.540 3.128 16.979 5 1HB SER 1 1HB SER 1 -10.435 4.162 16.022 6 2HB SER 1 2HB SER 1 -9.992 4.699 17.653 7 HG SER 1 HG SER 1 -12.003 5.763 17.760 8 H CYS 2 H CYS 2 -11.599 1.423 15.972 9 HA CYS 2 HA CYS 2 -9.246 0.045 17.043 10 1HB CYS 2 1HB CYS 2 -11.048 -0.773 18.529 11 2HB CYS 2 2HB CYS 2 -10.401 -2.041 17.530 12 H SER 3 H SER 3 -8.655 -1.817 15.743 13 HA SER 3 HA SER 3 -9.179 -1.343 12.904 14 1HB SER 3 1HB SER 3 -7.349 -3.456 13.039 15 2HB SER 3 2HB SER 3 -7.107 -2.695 14.602 16 HG SER 3 HG SER 3 -6.812 -0.742 13.625 17 H GLY 4 H GLY 4 -11.177 -2.119 12.338 18 1HA GLY 4 1HA GLY 4 -12.993 -3.596 12.155 19 2HA GLY 4 2HA GLY 4 -12.228 -4.597 13.367 20 H ARG 5 H ARG 5 -13.194 -6.079 11.426 21 HA ARG 5 HA ARG 5 -11.220 -7.661 10.432 22 1HB ARG 5 1HB ARG 5 -13.042 -7.989 8.419 23 2HB ARG 5 2HB ARG 5 -14.024 -7.089 9.560 24 1HG ARG 5 1HG ARG 5 -13.531 -8.720 11.336 25 2HG ARG 5 2HG ARG 5 -12.405 -9.565 10.288 26 1HD ARG 5 1HD ARG 5 -14.452 -9.902 8.707 27 2HD ARG 5 2HD ARG 5 -15.416 -9.480 10.118 28 HE ARG 5 HE ARG 5 -14.305 -11.371 11.331 29 1HH1 ARG 5 1HH1 ARG 5 -13.803 -13.097 7.820 30 2HH1 ARG 5 2HH1 ARG 5 -14.092 -11.393 7.843 31 1HH2 ARG 5 1HH2 ARG 5 -13.957 -13.371 11.289 32 2HH2 ARG 5 2HH2 ARG 5 -13.724 -14.278 9.822 33 H ASP 6 H ASP 6 -9.705 -7.619 9.194 34 HA ASP 6 HA ASP 6 -8.434 -7.428 7.228 35 1HB ASP 6 1HB ASP 6 -9.979 -5.022 6.235 36 2HB ASP 6 2HB ASP 6 -10.732 -6.603 6.143 37 H SER 7 H SER 7 -8.895 -5.049 9.561 38 HA SER 7 HA SER 7 -6.990 -3.096 8.538 39 1HB SER 7 1HB SER 7 -7.396 -2.010 10.774 40 2HB SER 7 2HB SER 7 -8.263 -3.479 11.257 41 HG SER 7 HG SER 7 -9.773 -3.127 9.887 42 H ARG 8 H ARG 8 -5.030 -2.476 9.540 43 HA ARG 8 HA ARG 8 -3.156 -4.539 9.899 44 1HB ARG 8 1HB ARG 8 -2.582 -2.265 9.139 45 2HB ARG 8 2HB ARG 8 -1.569 -2.729 10.479 46 1HG ARG 8 1HG ARG 8 -4.110 -1.257 11.173 47 2HG ARG 8 2HG ARG 8 -2.898 -0.338 10.319 48 1HD ARG 8 1HD ARG 8 -1.605 -1.865 12.451 49 2HD ARG 8 2HD ARG 8 -2.950 -0.940 13.101 50 HE ARG 8 HE ARG 8 -1.662 0.886 11.493 51 1HH1 ARG 8 1HH1 ARG 8 0.927 1.804 13.530 52 2HH1 ARG 8 2HH1 ARG 8 -0.063 2.236 12.176 53 1HH2 ARG 8 1HH2 ARG 8 -0.688 -1.234 14.062 54 2HH2 ARG 8 2HH2 ARG 8 0.568 -0.175 14.606 55 H CYS 9 H CYS 9 -2.473 -5.694 11.589 56 HA CYS 9 HA CYS 9 -2.677 -4.811 14.326 57 1HB CYS 9 1HB CYS 9 -4.833 -5.568 14.295 58 2HB CYS 9 2HB CYS 9 -4.042 -7.076 14.666 59 HA HYP 10 HA HYP 10 -3.088 -6.234 16.199 60 1HB HYP 10 1HB HYP 10 -3.429 -8.366 16.901 61 2HB HYP 10 2HB HYP 10 -2.250 -7.966 18.146 62 1HD HYP 10 1HD1 HYP 10 -0.565 -8.953 14.468 63 2HD HYP 10 2HD1 HYP 10 0.373 -7.976 15.623 64 HOD HYP 10 HD2 HYP 10 -2.740 -10.392 16.506 65 HG HYP 10 HG HYP 10 -0.655 -9.450 17.227 66 HA HYP 11 HA HYP 11 -3.320 -6.519 18.812 67 1HB HYP 11 1HB HYP 11 -2.228 -6.785 20.879 68 2HB HYP 11 2HB HYP 11 -3.063 -5.297 21.276 69 1HD HYP 11 1HD1 HYP 11 0.418 -4.824 18.988 70 2HD HYP 11 2HD1 HYP 11 -0.797 -3.534 19.046 71 HOD HYP 11 HD2 HYP 11 -0.246 -6.314 21.887 72 HG HYP 11 HG HYP 11 -0.973 -4.209 21.361 73 H VAL 12 H VAL 12 -3.405 -4.688 16.960 74 HA VAL 12 HA VAL 12 -4.649 -2.230 17.955 75 HB VAL 12 HB VAL 12 -4.393 -3.039 15.077 76 1HG1 VAL 12 1HG1 VAL 12 -4.271 -0.525 14.756 77 2HG1 VAL 12 2HG1 VAL 12 -4.497 -0.325 16.483 78 3HG1 VAL 12 3HG1 VAL 12 -5.772 -1.021 15.503 79 1HG2 VAL 12 1HG2 VAL 12 -2.124 -3.253 15.960 80 2HG2 VAL 12 2HG2 VAL 12 -2.290 -1.779 16.901 81 3HG2 VAL 12 3HG2 VAL 12 -2.189 -1.701 15.151 82 H CYS 13 H CYS 13 -5.659 -5.159 16.348 83 HA CYS 13 HA CYS 13 -8.133 -4.313 15.402 84 1HB CYS 13 1HB CYS 13 -8.812 -6.661 15.563 85 2HB CYS 13 2HB CYS 13 -7.363 -6.997 16.474 86 H CYS 14 H CYS 14 -10.129 -4.926 15.881 87 HA CYS 14 HA CYS 14 -11.149 -3.886 18.323 88 1HB CYS 14 1HB CYS 14 -13.364 -4.592 17.253 89 2HB CYS 14 2HB CYS 14 -12.423 -5.426 16.078 90 H MET 15 H MET 15 -12.854 -5.087 19.573 91 HA MET 15 HA MET 15 -11.648 -7.332 20.852 92 1HB MET 15 1HB MET 15 -14.591 -6.754 21.267 93 2HB MET 15 2HB MET 15 -13.461 -5.479 21.662 94 1HG MET 15 1HG MET 15 -12.187 -7.064 23.088 95 2HG MET 15 2HG MET 15 -13.350 -8.310 22.733 96 1HE MET 15 1HE MET 15 -16.015 -7.813 23.200 97 2HE MET 15 2HE MET 15 -16.272 -7.713 24.929 98 3HE MET 15 3HE MET 15 -15.177 -8.934 24.300 99 H GLY 16 H GLY 16 -11.435 -9.145 19.799 100 1HA GLY 16 1HA GLY 16 -13.778 -10.390 18.407 101 2HA GLY 16 2HA GLY 16 -12.648 -11.304 19.408 102 H LEU 17 H LEU 17 -11.229 -8.775 17.627 103 HA LEU 17 HA LEU 17 -10.406 -10.558 15.397 104 1HB LEU 17 1HB LEU 17 -9.636 -8.239 14.501 105 2HB LEU 17 2HB LEU 17 -10.635 -7.588 15.775 106 HG LEU 17 HG LEU 17 -12.548 -9.014 14.856 107 1HD1 LEU 17 1HD1 LEU 17 -11.308 -6.643 13.411 108 2HD1 LEU 17 2HD1 LEU 17 -12.656 -6.631 14.534 109 3HD1 LEU 17 3HD1 LEU 17 -12.870 -7.283 12.932 110 1HD2 LEU 17 1HD2 LEU 17 -10.504 -9.955 13.196 111 2HD2 LEU 17 2HD2 LEU 17 -11.347 -8.852 12.150 112 3HD2 LEU 17 3HD2 LEU 17 -12.222 -10.185 12.887 113 H MET 18 H MET 18 -8.316 -10.842 14.885 114 HA MET 18 HA MET 18 -6.153 -9.752 16.648 115 1HB MET 18 1HB MET 18 -6.562 -12.088 17.365 116 2HB MET 18 2HB MET 18 -5.057 -12.040 16.482 117 1HG MET 18 1HG MET 18 -6.491 -12.644 14.401 118 2HG MET 18 2HG MET 18 -7.728 -13.041 15.544 119 1HE MET 18 1HE MET 18 -4.993 -14.241 13.397 120 2HE MET 18 2HE MET 18 -4.081 -15.409 14.334 121 3HE MET 18 3HE MET 18 -3.942 -13.708 14.731 122 H CYS 19 H CYS 19 -4.588 -11.734 14.567 123 HA CYS 19 HA CYS 19 -4.995 -10.171 12.098 124 1HB CYS 19 1HB CYS 19 -2.196 -9.973 12.900 125 2HB CYS 19 2HB CYS 19 -3.293 -9.119 13.949 126 H SER 20 H SER 20 -4.842 -11.324 10.500 127 HA SER 20 HA SER 20 -3.330 -13.834 10.468 128 1HB SER 20 1HB SER 20 -4.533 -13.857 8.049 129 2HB SER 20 2HB SER 20 -5.538 -12.594 8.777 130 HG SER 20 HG SER 20 -5.790 -15.137 9.175 131 H ARG 21 H ARG 21 -1.483 -12.455 10.735 132 HA ARG 21 HA ARG 21 0.593 -11.859 9.953 133 1HB ARG 21 1HB ARG 21 -0.472 -11.815 7.095 134 2HB ARG 21 2HB ARG 21 -0.099 -13.326 7.909 135 1HG ARG 21 1HG ARG 21 2.182 -12.203 8.453 136 2HG ARG 21 2HG ARG 21 1.731 -11.029 7.226 137 1HD ARG 21 1HD ARG 21 1.834 -14.041 6.719 138 2HD ARG 21 2HD ARG 21 3.113 -12.913 6.266 139 HE ARG 21 HE ARG 21 0.674 -11.928 5.204 140 1HH1 ARG 21 1HH1 ARG 21 0.914 -13.477 2.170 141 2HH1 ARG 21 2HH1 ARG 21 0.166 -12.217 3.093 142 1HH2 ARG 21 1HH2 ARG 21 2.841 -14.611 4.851 143 2HH2 ARG 21 2HH2 ARG 21 2.450 -14.851 3.180 144 H GLY 22 H GLY 22 -2.159 -10.030 9.605 145 1HA GLY 22 1HA GLY 22 -0.783 -7.665 8.445 146 2HA GLY 22 2HA GLY 22 -1.206 -7.552 10.143 147 H LYS 23 H LYS 23 -3.644 -9.290 9.185 148 HA LYS 23 HA LYS 23 -5.384 -6.943 8.578 149 1HB LYS 23 1HB LYS 23 -6.659 -8.542 7.004 150 2HB LYS 23 2HB LYS 23 -5.271 -9.611 7.107 151 1HG LYS 23 1HG LYS 23 -3.864 -7.532 6.372 152 2HG LYS 23 2HG LYS 23 -5.395 -6.796 5.955 153 1HD LYS 23 1HD LYS 23 -4.659 -9.558 4.904 154 2HD LYS 23 2HD LYS 23 -4.042 -8.119 4.120 155 1HE LYS 23 1HE LYS 23 -6.427 -7.286 3.913 156 2HE LYS 23 2HE LYS 23 -6.962 -8.852 4.517 157 1HZ LYS 23 1HZ LYS 23 -5.411 -8.319 2.058 158 2HZ LYS 23 2HZ LYS 23 -7.012 -8.874 2.166 159 3HZ LYS 23 3HZ LYS 23 -5.731 -9.873 2.664 160 H CYS 24 H CYS 24 -7.097 -6.971 9.971 161 HA CYS 24 HA CYS 24 -7.207 -8.904 12.026 162 1HB CYS 24 1HB CYS 24 -9.372 -7.821 12.640 163 2HB CYS 24 2HB CYS 24 -9.406 -7.022 11.106 164 H VAL 25 H VAL 25 -8.314 -10.564 12.486 165 HA VAL 25 HA VAL 25 -10.420 -11.630 10.746 166 HB VAL 25 HB VAL 25 -9.185 -13.870 10.979 167 1HG1 VAL 25 1HG1 VAL 25 -7.902 -11.842 9.093 168 2HG1 VAL 25 2HG1 VAL 25 -9.465 -12.587 8.806 169 3HG1 VAL 25 3HG1 VAL 25 -8.017 -13.574 8.839 170 1HG2 VAL 25 1HG2 VAL 25 -6.964 -13.978 11.616 171 2HG2 VAL 25 2HG2 VAL 25 -7.366 -12.521 12.492 172 3HG2 VAL 25 3HG2 VAL 25 -6.579 -12.400 10.940 173 H SER 26 H SER 26 -11.728 -12.937 11.841 174 HA SER 26 HA SER 26 -12.086 -12.553 14.593 175 1HB SER 26 1HB SER 26 -13.728 -14.556 14.273 176 2HB SER 26 2HB SER 26 -13.216 -14.491 12.581 177 HG SER 26 HG SER 26 -13.780 -12.321 12.528 178 H ILE 27 H ILE 27 -11.169 -13.370 16.241 179 HA ILE 27 HA ILE 27 -9.094 -15.290 16.311 180 HB ILE 27 HB ILE 27 -9.442 -15.268 18.730 181 1HG1 ILE 27 1HG1 ILE 27 -12.063 -14.025 17.997 182 2HG1 ILE 27 2HG1 ILE 27 -11.253 -13.320 19.377 183 1HG2 ILE 27 1HG2 ILE 27 -9.118 -12.724 19.002 184 2HG2 ILE 27 2HG2 ILE 27 -9.387 -12.609 17.271 185 3HG2 ILE 27 3HG2 ILE 27 -8.042 -13.550 17.895 186 1HD1 ILE 27 1HD1 ILE 27 -12.161 -16.166 19.014 187 2HD1 ILE 27 2HD1 ILE 27 -12.495 -15.058 20.333 188 3HD1 ILE 27 3HD1 ILE 27 -10.900 -15.777 20.167 189 H TYR 28 H TYR 28 -12.456 -15.464 16.566 190 HA TYR 28 HA TYR 28 -12.897 -18.075 17.610 191 1HB TYR 28 1HB TYR 28 -15.171 -17.802 16.770 192 2HB TYR 28 2HB TYR 28 -14.662 -16.618 15.581 193 HD1 TYR 28 HD1 TYR 28 -15.146 -17.187 19.222 194 HD2 TYR 28 HD2 TYR 28 -14.330 -14.301 16.200 195 HE1 TYR 28 HE1 TYR 28 -15.509 -15.380 20.836 196 HE2 TYR 28 HE2 TYR 28 -14.692 -12.505 17.808 197 HH TYR 28 HH TYR 28 -14.606 -12.174 20.239 198 H GLY 29 H GLY 29 -12.815 -16.877 14.298 199 1HA GLY 29 1HA GLY 29 -12.419 -17.902 12.253 200 2HA GLY 29 2HA GLY 29 -13.029 -19.384 12.981 201 H GLU 30 H GLU 30 -10.247 -17.344 13.679 202 HA GLU 30 HA GLU 30 -8.416 -19.685 13.360 203 1HB GLU 30 1HB GLU 30 -6.787 -17.502 12.932 204 2HB GLU 30 2HB GLU 30 -8.296 -16.879 12.303 205 1HG GLU 30 1HG GLU 30 -8.461 -18.609 10.653 206 2HG GLU 30 2HG GLU 30 -7.269 -19.615 11.460 Start of MODEL 12 1 1H SER 1 1H SER 1 -10.931 5.480 16.563 2 2H SER 1 2H SER 1 -9.811 4.534 15.704 3 3H SER 1 3H SER 1 -9.716 4.635 17.397 4 HA SER 1 HA SER 1 -11.702 3.430 17.692 5 1HB SER 1 1HB SER 1 -13.034 2.644 15.689 6 2HB SER 1 2HB SER 1 -11.958 3.580 14.636 7 HG SER 1 HG SER 1 -13.597 4.510 16.747 8 H CYS 2 H CYS 2 -11.838 1.146 17.553 9 HA CYS 2 HA CYS 2 -9.313 -0.180 17.345 10 1HB CYS 2 1HB CYS 2 -11.213 -0.892 18.797 11 2HB CYS 2 2HB CYS 2 -10.521 -2.182 17.860 12 H SER 3 H SER 3 -8.682 -1.873 15.945 13 HA SER 3 HA SER 3 -9.292 -1.355 13.140 14 1HB SER 3 1HB SER 3 -7.446 -3.451 13.165 15 2HB SER 3 2HB SER 3 -7.179 -2.753 14.751 16 HG SER 3 HG SER 3 -7.202 -0.679 13.685 17 H GLY 4 H GLY 4 -11.252 -2.149 12.525 18 1HA GLY 4 1HA GLY 4 -13.063 -3.633 12.330 19 2HA GLY 4 2HA GLY 4 -12.299 -4.639 13.532 20 H ARG 5 H ARG 5 -13.307 -6.003 11.460 21 HA ARG 5 HA ARG 5 -11.392 -7.675 10.520 22 1HB ARG 5 1HB ARG 5 -13.041 -7.912 8.427 23 2HB ARG 5 2HB ARG 5 -14.037 -6.823 9.373 24 1HG ARG 5 1HG ARG 5 -14.003 -8.387 11.280 25 2HG ARG 5 2HG ARG 5 -12.882 -9.442 10.434 26 1HD ARG 5 1HD ARG 5 -15.604 -8.759 9.263 27 2HD ARG 5 2HD ARG 5 -15.362 -10.127 10.348 28 HE ARG 5 HE ARG 5 -13.386 -10.288 8.325 29 1HH1 ARG 5 1HH1 ARG 5 -17.027 -11.542 7.341 30 2HH1 ARG 5 2HH1 ARG 5 -16.833 -10.467 8.684 31 1HH2 ARG 5 1HH2 ARG 5 -13.616 -11.643 6.621 32 2HH2 ARG 5 2HH2 ARG 5 -15.183 -12.218 6.156 33 H ASP 6 H ASP 6 -9.800 -7.695 9.427 34 HA ASP 6 HA ASP 6 -8.279 -7.554 7.721 35 1HB ASP 6 1HB ASP 6 -9.716 -5.377 6.232 36 2HB ASP 6 2HB ASP 6 -10.508 -6.941 6.342 37 H SER 7 H SER 7 -8.911 -5.135 9.792 38 HA SER 7 HA SER 7 -7.138 -3.080 8.701 39 1HB SER 7 1HB SER 7 -7.580 -1.987 10.950 40 2HB SER 7 2HB SER 7 -8.410 -3.481 11.425 41 HG SER 7 HG SER 7 -9.901 -3.186 9.983 42 H ARG 8 H ARG 8 -5.131 -2.401 9.670 43 HA ARG 8 HA ARG 8 -3.242 -4.431 10.060 44 1HB ARG 8 1HB ARG 8 -1.948 -2.307 11.140 45 2HB ARG 8 2HB ARG 8 -3.297 -1.450 10.429 46 1HG ARG 8 1HG ARG 8 -1.278 -3.236 9.021 47 2HG ARG 8 2HG ARG 8 -1.517 -1.511 8.793 48 1HD ARG 8 1HD ARG 8 -3.963 -2.222 8.042 49 2HD ARG 8 2HD ARG 8 -3.234 -3.806 7.836 50 HE ARG 8 HE ARG 8 -2.066 -3.004 5.971 51 1HH1 ARG 8 1HH1 ARG 8 -2.976 0.811 6.612 52 2HH1 ARG 8 2HH1 ARG 8 -3.370 -0.373 7.812 53 1HH2 ARG 8 1HH2 ARG 8 -1.556 -1.525 4.441 54 2HH2 ARG 8 2HH2 ARG 8 -1.934 0.149 4.673 55 H CYS 9 H CYS 9 -2.550 -5.532 11.687 56 HA CYS 9 HA CYS 9 -2.746 -4.727 14.454 57 1HB CYS 9 1HB CYS 9 -4.891 -5.530 14.409 58 2HB CYS 9 2HB CYS 9 -4.054 -7.018 14.766 59 HA HYP 10 HA HYP 10 -3.101 -6.197 16.309 60 1HB HYP 10 1HB HYP 10 -3.363 -8.339 17.006 61 2HB HYP 10 2HB HYP 10 -2.178 -7.904 18.232 62 1HD HYP 10 1HD1 HYP 10 -0.572 -8.845 14.506 63 2HD HYP 10 2HD1 HYP 10 0.398 -7.852 15.620 64 HOD HYP 10 HD2 HYP 10 -2.830 -9.728 15.717 65 HG HYP 10 HG HYP 10 -0.530 -9.303 17.278 66 HA HYP 11 HA HYP 11 -3.296 -6.486 18.912 67 1HB HYP 11 1HB HYP 11 -2.181 -6.731 20.969 68 2HB HYP 11 2HB HYP 11 -3.042 -5.260 21.378 69 1HD HYP 11 1HD1 HYP 11 0.403 -4.697 19.054 70 2HD HYP 11 2HD1 HYP 11 -0.847 -3.442 19.137 71 HOD HYP 11 HD2 HYP 11 0.857 -5.495 21.050 72 HG HYP 11 HG HYP 11 -0.969 -4.139 21.450 73 H VAL 12 H VAL 12 -3.429 -4.662 17.070 74 HA VAL 12 HA VAL 12 -4.714 -2.223 18.055 75 HB VAL 12 HB VAL 12 -4.456 -3.058 15.188 76 1HG1 VAL 12 1HG1 VAL 12 -5.856 -1.039 15.634 77 2HG1 VAL 12 2HG1 VAL 12 -4.388 -0.583 14.794 78 3HG1 VAL 12 3HG1 VAL 12 -4.532 -0.308 16.524 79 1HG2 VAL 12 1HG2 VAL 12 -2.350 -1.707 16.946 80 2HG2 VAL 12 2HG2 VAL 12 -2.262 -1.737 15.193 81 3HG2 VAL 12 3HG2 VAL 12 -2.179 -3.235 16.098 82 H CYS 13 H CYS 13 -5.662 -5.188 16.475 83 HA CYS 13 HA CYS 13 -8.170 -4.405 15.547 84 1HB CYS 13 1HB CYS 13 -8.773 -6.802 15.737 85 2HB CYS 13 2HB CYS 13 -7.261 -7.066 16.560 86 H CYS 14 H CYS 14 -10.144 -5.042 16.046 87 HA CYS 14 HA CYS 14 -11.150 -4.096 18.533 88 1HB CYS 14 1HB CYS 14 -13.371 -4.746 17.442 89 2HB CYS 14 2HB CYS 14 -12.439 -5.566 16.250 90 H MET 15 H MET 15 -12.822 -5.363 19.759 91 HA MET 15 HA MET 15 -11.596 -7.643 20.943 92 1HB MET 15 1HB MET 15 -14.181 -7.769 21.889 93 2HB MET 15 2HB MET 15 -14.161 -6.124 21.289 94 1HG MET 15 1HG MET 15 -12.256 -5.574 22.666 95 2HG MET 15 2HG MET 15 -12.015 -7.240 23.115 96 1HE MET 15 1HE MET 15 -14.422 -7.991 25.851 97 2HE MET 15 2HE MET 15 -12.772 -8.238 25.299 98 3HE MET 15 3HE MET 15 -14.150 -8.590 24.230 99 H GLY 16 H GLY 16 -11.376 -9.471 19.913 100 1HA GLY 16 1HA GLY 16 -13.689 -10.667 18.438 101 2HA GLY 16 2HA GLY 16 -12.549 -11.606 19.407 102 H LEU 17 H LEU 17 -11.269 -8.957 17.665 103 HA LEU 17 HA LEU 17 -10.380 -10.645 15.398 104 1HB LEU 17 1HB LEU 17 -9.669 -8.293 14.565 105 2HB LEU 17 2HB LEU 17 -10.639 -7.693 15.879 106 HG LEU 17 HG LEU 17 -12.565 -9.107 14.970 107 1HD1 LEU 17 1HD1 LEU 17 -12.812 -6.754 14.720 108 2HD1 LEU 17 2HD1 LEU 17 -12.886 -7.280 13.061 109 3HD1 LEU 17 3HD1 LEU 17 -11.391 -6.618 13.697 110 1HD2 LEU 17 1HD2 LEU 17 -11.501 -8.814 12.222 111 2HD2 LEU 17 2HD2 LEU 17 -12.319 -10.186 12.944 112 3HD2 LEU 17 3HD2 LEU 17 -10.589 -9.954 13.170 113 H MET 18 H MET 18 -8.286 -10.924 14.903 114 HA MET 18 HA MET 18 -6.138 -9.808 16.672 115 1HB MET 18 1HB MET 18 -6.601 -12.206 17.300 116 2HB MET 18 2HB MET 18 -5.012 -12.031 16.599 117 1HG MET 18 1HG MET 18 -6.467 -12.569 14.357 118 2HG MET 18 2HG MET 18 -7.392 -13.431 15.536 119 1HE MET 18 1HE MET 18 -7.005 -15.648 16.296 120 2HE MET 18 2HE MET 18 -5.754 -15.066 17.414 121 3HE MET 18 3HE MET 18 -5.464 -16.467 16.390 122 H CYS 19 H CYS 19 -4.474 -11.676 14.603 123 HA CYS 19 HA CYS 19 -4.940 -10.089 12.146 124 1HB CYS 19 1HB CYS 19 -2.142 -9.876 12.936 125 2HB CYS 19 2HB CYS 19 -3.247 -9.061 14.011 126 H SER 20 H SER 20 -4.806 -11.210 10.527 127 HA SER 20 HA SER 20 -3.247 -13.687 10.389 128 1HB SER 20 1HB SER 20 -4.491 -13.605 7.962 129 2HB SER 20 2HB SER 20 -5.532 -12.453 8.808 130 HG SER 20 HG SER 20 -6.383 -14.233 9.549 131 H ARG 21 H ARG 21 -1.408 -12.278 10.650 132 HA ARG 21 HA ARG 21 0.642 -11.632 9.819 133 1HB ARG 21 1HB ARG 21 -0.532 -11.454 7.005 134 2HB ARG 21 2HB ARG 21 -0.087 -12.997 7.719 135 1HG ARG 21 1HG ARG 21 2.193 -11.902 8.198 136 2HG ARG 21 2HG ARG 21 1.654 -10.595 7.160 137 1HD ARG 21 1HD ARG 21 1.088 -12.704 5.510 138 2HD ARG 21 2HD ARG 21 2.457 -13.379 6.392 139 HE ARG 21 HE ARG 21 3.228 -10.789 5.649 140 1HH1 ARG 21 1HH1 ARG 21 3.138 -13.407 2.661 141 2HH1 ARG 21 2HH1 ARG 21 2.215 -13.714 4.093 142 1HH2 ARG 21 1HH2 ARG 21 4.405 -10.378 3.842 143 2HH2 ARG 21 2HH2 ARG 21 4.393 -11.489 2.513 144 H GLY 22 H GLY 22 -2.169 -9.834 9.578 145 1HA GLY 22 1HA GLY 22 -0.813 -7.377 8.584 146 2HA GLY 22 2HA GLY 22 -1.302 -7.369 10.270 147 H LYS 23 H LYS 23 -3.656 -9.084 9.335 148 HA LYS 23 HA LYS 23 -5.457 -6.818 8.656 149 1HB LYS 23 1HB LYS 23 -6.649 -8.572 7.101 150 2HB LYS 23 2HB LYS 23 -5.135 -9.450 7.163 151 1HG LYS 23 1HG LYS 23 -3.955 -7.377 6.330 152 2HG LYS 23 2HG LYS 23 -5.517 -6.596 6.169 153 1HD LYS 23 1HD LYS 23 -6.189 -8.571 4.649 154 2HD LYS 23 2HD LYS 23 -4.507 -9.048 4.678 155 1HE LYS 23 1HE LYS 23 -3.934 -7.452 3.154 156 2HE LYS 23 2HE LYS 23 -4.772 -6.187 4.037 157 1HZ LYS 23 1HZ LYS 23 -6.245 -8.169 2.431 158 2HZ LYS 23 2HZ LYS 23 -5.605 -6.752 1.745 159 3HZ LYS 23 3HZ LYS 23 -6.753 -6.650 2.995 160 H CYS 24 H CYS 24 -7.195 -6.920 10.039 161 HA CYS 24 HA CYS 24 -7.228 -8.894 12.068 162 1HB CYS 24 1HB CYS 24 -9.414 -7.909 12.717 163 2HB CYS 24 2HB CYS 24 -9.496 -7.073 11.211 164 H VAL 25 H VAL 25 -8.339 -10.556 12.532 165 HA VAL 25 HA VAL 25 -10.410 -11.647 10.773 166 HB VAL 25 HB VAL 25 -9.127 -13.870 10.997 167 1HG1 VAL 25 1HG1 VAL 25 -8.040 -13.559 8.830 168 2HG1 VAL 25 2HG1 VAL 25 -7.895 -11.829 9.093 169 3HG1 VAL 25 3HG1 VAL 25 -9.475 -12.551 8.838 170 1HG2 VAL 25 1HG2 VAL 25 -6.559 -12.321 10.934 171 2HG2 VAL 25 2HG2 VAL 25 -6.880 -13.931 11.562 172 3HG2 VAL 25 3HG2 VAL 25 -7.324 -12.520 12.491 173 H SER 26 H SER 26 -11.717 -12.954 11.850 174 HA SER 26 HA SER 26 -12.028 -12.655 14.639 175 1HB SER 26 1HB SER 26 -13.770 -14.549 14.261 176 2HB SER 26 2HB SER 26 -13.309 -14.404 12.551 177 HG SER 26 HG SER 26 -13.731 -12.198 12.674 178 H ILE 27 H ILE 27 -11.072 -13.562 16.182 179 HA ILE 27 HA ILE 27 -9.115 -15.597 16.125 180 HB ILE 27 HB ILE 27 -9.342 -15.593 18.556 181 1HG1 ILE 27 1HG1 ILE 27 -11.980 -14.312 17.976 182 2HG1 ILE 27 2HG1 ILE 27 -11.099 -13.636 19.327 183 1HG2 ILE 27 1HG2 ILE 27 -9.078 -12.977 18.826 184 2HG2 ILE 27 2HG2 ILE 27 -9.215 -12.956 17.077 185 3HG2 ILE 27 3HG2 ILE 27 -7.930 -13.869 17.852 186 1HD1 ILE 27 1HD1 ILE 27 -11.440 -16.629 19.035 187 2HD1 ILE 27 2HD1 ILE 27 -12.617 -15.622 19.858 188 3HD1 ILE 27 3HD1 ILE 27 -10.959 -15.714 20.448 189 H TYR 28 H TYR 28 -12.479 -15.611 16.626 190 HA TYR 28 HA TYR 28 -13.004 -18.200 17.611 191 1HB TYR 28 1HB TYR 28 -15.280 -17.868 16.739 192 2HB TYR 28 2HB TYR 28 -14.722 -16.624 15.634 193 HD1 TYR 28 HD1 TYR 28 -14.300 -14.369 16.422 194 HD2 TYR 28 HD2 TYR 28 -15.265 -17.438 19.212 195 HE1 TYR 28 HE1 TYR 28 -14.621 -12.686 18.162 196 HE2 TYR 28 HE2 TYR 28 -15.585 -15.749 20.954 197 HH TYR 28 HH TYR 28 -14.582 -13.236 21.284 198 H GLY 29 H GLY 29 -12.966 -17.068 14.265 199 1HA GLY 29 1HA GLY 29 -12.738 -18.187 12.237 200 2HA GLY 29 2HA GLY 29 -13.286 -19.643 13.065 201 H GLU 30 H GLU 30 -10.527 -17.494 13.475 202 HA GLU 30 HA GLU 30 -8.647 -19.710 13.783 203 1HB GLU 30 1HB GLU 30 -7.217 -18.169 12.041 204 2HB GLU 30 2HB GLU 30 -8.808 -17.870 11.402 205 1HG GLU 30 1HG GLU 30 -8.504 -20.745 11.895 206 2HG GLU 30 2HG GLU 30 -7.153 -20.164 10.945 Start of MODEL 13 1 1H SER 1 1H SER 1 -12.403 4.778 18.747 2 2H SER 1 2H SER 1 -11.043 4.119 19.520 3 3H SER 1 3H SER 1 -12.407 3.150 19.231 4 HA SER 1 HA SER 1 -12.074 3.434 16.833 5 1HB SER 1 1HB SER 1 -10.759 5.540 16.844 6 2HB SER 1 2HB SER 1 -9.726 4.275 16.162 7 HG SER 1 HG SER 1 -8.910 3.936 18.275 8 H CYS 2 H CYS 2 -11.280 1.638 15.899 9 HA CYS 2 HA CYS 2 -9.063 0.084 16.991 10 1HB CYS 2 1HB CYS 2 -10.945 -0.555 18.511 11 2HB CYS 2 2HB CYS 2 -10.359 -1.889 17.562 12 H SER 3 H SER 3 -8.557 -1.753 15.676 13 HA SER 3 HA SER 3 -9.166 -1.313 12.848 14 1HB SER 3 1HB SER 3 -7.400 -3.473 12.938 15 2HB SER 3 2HB SER 3 -7.085 -2.720 14.490 16 HG SER 3 HG SER 3 -6.803 -0.762 13.485 17 H GLY 4 H GLY 4 -11.151 -2.075 12.261 18 1HA GLY 4 1HA GLY 4 -12.999 -3.499 12.094 19 2HA GLY 4 2HA GLY 4 -12.318 -4.445 13.395 20 H ARG 5 H ARG 5 -13.349 -5.934 11.462 21 HA ARG 5 HA ARG 5 -11.481 -7.738 10.667 22 1HB ARG 5 1HB ARG 5 -13.203 -8.110 8.627 23 2HB ARG 5 2HB ARG 5 -14.155 -6.956 9.544 24 1HG ARG 5 1HG ARG 5 -13.940 -8.393 11.573 25 2HG ARG 5 2HG ARG 5 -12.964 -9.536 10.664 26 1HD ARG 5 1HD ARG 5 -14.908 -9.891 9.105 27 2HD ARG 5 2HD ARG 5 -15.875 -8.832 10.132 28 HE ARG 5 HE ARG 5 -14.689 -10.890 11.747 29 1HH1 ARG 5 1HH1 ARG 5 -18.086 -11.734 9.904 30 2HH1 ARG 5 2HH1 ARG 5 -17.132 -10.405 9.337 31 1HH2 ARG 5 1HH2 ARG 5 -15.829 -12.506 12.460 32 2HH2 ARG 5 2HH2 ARG 5 -17.335 -12.970 11.726 33 H ASP 6 H ASP 6 -9.904 -7.876 9.564 34 HA ASP 6 HA ASP 6 -8.417 -7.925 7.811 35 1HB ASP 6 1HB ASP 6 -9.824 -5.812 6.201 36 2HB ASP 6 2HB ASP 6 -10.639 -7.355 6.415 37 H SER 7 H SER 7 -8.951 -5.346 9.724 38 HA SER 7 HA SER 7 -7.136 -3.422 8.472 39 1HB SER 7 1HB SER 7 -7.483 -2.206 10.701 40 2HB SER 7 2HB SER 7 -8.430 -3.611 11.215 41 HG SER 7 HG SER 7 -9.900 -2.390 10.263 42 H ARG 8 H ARG 8 -5.104 -2.745 9.381 43 HA ARG 8 HA ARG 8 -3.271 -4.814 9.843 44 1HB ARG 8 1HB ARG 8 -2.743 -2.510 8.994 45 2HB ARG 8 2HB ARG 8 -1.632 -3.063 10.221 46 1HG ARG 8 1HG ARG 8 -4.008 -1.480 11.195 47 2HG ARG 8 2HG ARG 8 -2.822 -0.601 10.257 48 1HD ARG 8 1HD ARG 8 -2.033 -2.342 12.628 49 2HD ARG 8 2HD ARG 8 -2.364 -0.619 12.771 50 HE ARG 8 HE ARG 8 -0.542 -0.647 10.756 51 1HH1 ARG 8 1HH1 ARG 8 1.111 -2.232 14.003 52 2HH1 ARG 8 2HH1 ARG 8 -0.612 -2.226 13.850 53 1HH2 ARG 8 1HH2 ARG 8 1.634 -0.649 10.941 54 2HH2 ARG 8 2HH2 ARG 8 2.401 -1.327 12.339 55 H CYS 9 H CYS 9 -2.556 -5.876 11.566 56 HA CYS 9 HA CYS 9 -2.738 -4.900 14.271 57 1HB CYS 9 1HB CYS 9 -4.890 -5.650 14.280 58 2HB CYS 9 2HB CYS 9 -4.095 -7.140 14.719 59 HA HYP 10 HA HYP 10 -3.114 -6.231 16.206 60 1HB HYP 10 1HB HYP 10 -3.451 -8.326 17.014 61 2HB HYP 10 2HB HYP 10 -2.251 -7.872 18.218 62 1HD HYP 10 1HD1 HYP 10 -0.644 -9.044 14.558 63 2HD HYP 10 2HD1 HYP 10 0.330 -8.022 15.643 64 HOD HYP 10 HD2 HYP 10 -1.555 -10.621 15.500 65 HG HYP 10 HG HYP 10 -0.671 -9.398 17.342 66 HA HYP 11 HA HYP 11 -3.313 -6.376 18.822 67 1HB HYP 11 1HB HYP 11 -2.187 -6.561 20.886 68 2HB HYP 11 2HB HYP 11 -3.008 -5.051 21.226 69 1HD HYP 11 1HD1 HYP 11 0.450 -4.726 18.875 70 2HD HYP 11 2HD1 HYP 11 -0.747 -3.418 18.881 71 HOD HYP 11 HD2 HYP 11 -0.070 -5.919 21.901 72 HG HYP 11 HG HYP 11 -0.910 -3.973 21.228 73 H VAL 12 H VAL 12 -3.390 -4.647 16.893 74 HA VAL 12 HA VAL 12 -4.565 -2.107 17.754 75 HB VAL 12 HB VAL 12 -4.338 -3.115 14.937 76 1HG1 VAL 12 1HG1 VAL 12 -4.287 -0.275 16.067 77 2HG1 VAL 12 2HG1 VAL 12 -5.680 -1.017 15.302 78 3HG1 VAL 12 3HG1 VAL 12 -4.236 -0.700 14.365 79 1HG2 VAL 12 1HG2 VAL 12 -2.065 -3.302 15.652 80 2HG2 VAL 12 2HG2 VAL 12 -2.195 -1.934 16.744 81 3HG2 VAL 12 3HG2 VAL 12 -2.111 -1.670 15.012 82 H CYS 13 H CYS 13 -5.642 -5.104 16.341 83 HA CYS 13 HA CYS 13 -8.118 -4.298 15.366 84 1HB CYS 13 1HB CYS 13 -8.799 -6.652 15.718 85 2HB CYS 13 2HB CYS 13 -7.294 -6.905 16.557 86 H CYS 14 H CYS 14 -10.109 -4.819 15.877 87 HA CYS 14 HA CYS 14 -11.108 -3.720 18.317 88 1HB CYS 14 1HB CYS 14 -13.346 -4.304 17.206 89 2HB CYS 14 2HB CYS 14 -12.424 -5.149 16.016 90 H MET 15 H MET 15 -12.981 -4.913 19.428 91 HA MET 15 HA MET 15 -11.927 -7.115 20.838 92 1HB MET 15 1HB MET 15 -13.605 -5.567 21.763 93 2HB MET 15 2HB MET 15 -14.152 -7.221 21.899 94 1HG MET 15 1HG MET 15 -15.828 -6.955 20.375 95 2HG MET 15 2HG MET 15 -14.963 -5.792 19.414 96 1HE MET 15 1HE MET 15 -15.869 -2.428 20.679 97 2HE MET 15 2HE MET 15 -15.518 -3.396 19.258 98 3HE MET 15 3HE MET 15 -14.368 -3.331 20.616 99 H GLY 16 H GLY 16 -11.726 -9.118 20.264 100 1HA GLY 16 1HA GLY 16 -13.758 -10.540 18.624 101 2HA GLY 16 2HA GLY 16 -12.542 -11.283 19.656 102 H LEU 17 H LEU 17 -11.403 -8.686 17.756 103 HA LEU 17 HA LEU 17 -10.476 -10.450 15.580 104 1HB LEU 17 1HB LEU 17 -9.764 -8.163 14.650 105 2HB LEU 17 2HB LEU 17 -10.673 -7.473 15.965 106 HG LEU 17 HG LEU 17 -12.656 -8.880 15.192 107 1HD1 LEU 17 1HD1 LEU 17 -11.487 -6.423 13.877 108 2HD1 LEU 17 2HD1 LEU 17 -12.990 -6.590 14.774 109 3HD1 LEU 17 3HD1 LEU 17 -12.901 -7.127 13.121 110 1HD2 LEU 17 1HD2 LEU 17 -12.577 -9.955 13.126 111 2HD2 LEU 17 2HD2 LEU 17 -10.845 -9.972 13.438 112 3HD2 LEU 17 3HD2 LEU 17 -11.530 -8.738 12.421 113 H MET 18 H MET 18 -8.406 -10.857 15.178 114 HA MET 18 HA MET 18 -6.240 -9.646 16.859 115 1HB MET 18 1HB MET 18 -6.770 -11.969 17.690 116 2HB MET 18 2HB MET 18 -5.176 -11.903 16.976 117 1HG MET 18 1HG MET 18 -6.704 -12.592 14.799 118 2HG MET 18 2HG MET 18 -7.587 -13.344 16.091 119 1HE MET 18 1HE MET 18 -5.529 -16.200 17.271 120 2HE MET 18 2HE MET 18 -7.090 -15.418 17.183 121 3HE MET 18 3HE MET 18 -5.761 -14.661 18.088 122 H CYS 19 H CYS 19 -4.690 -11.778 14.889 123 HA CYS 19 HA CYS 19 -5.125 -10.308 12.360 124 1HB CYS 19 1HB CYS 19 -2.308 -10.161 13.116 125 2HB CYS 19 2HB CYS 19 -3.381 -9.224 14.120 126 H SER 20 H SER 20 -5.015 -11.455 10.776 127 HA SER 20 HA SER 20 -3.624 -14.028 10.712 128 1HB SER 20 1HB SER 20 -4.788 -13.893 8.247 129 2HB SER 20 2HB SER 20 -5.761 -12.647 9.042 130 HG SER 20 HG SER 20 -6.475 -14.900 9.292 131 H ARG 21 H ARG 21 -1.719 -12.653 11.044 132 HA ARG 21 HA ARG 21 0.372 -12.060 10.329 133 1HB ARG 21 1HB ARG 21 -0.561 -12.239 7.429 134 2HB ARG 21 2HB ARG 21 -0.219 -13.679 8.376 135 1HG ARG 21 1HG ARG 21 2.030 -12.479 8.935 136 2HG ARG 21 2HG ARG 21 1.628 -11.436 7.581 137 1HD ARG 21 1HD ARG 21 1.760 -14.479 7.349 138 2HD ARG 21 2HD ARG 21 3.079 -13.400 6.898 139 HE ARG 21 HE ARG 21 0.758 -12.469 5.580 140 1HH1 ARG 21 1HH1 ARG 21 1.112 -14.319 2.733 141 2HH1 ARG 21 2HH1 ARG 21 0.366 -12.944 3.480 142 1HH2 ARG 21 1HH2 ARG 21 2.821 -15.253 5.631 143 2HH2 ARG 21 2HH2 ARG 21 2.522 -15.645 3.972 144 H GLY 22 H GLY 22 -2.323 -10.246 9.836 145 1HA GLY 22 1HA GLY 22 -0.943 -7.979 8.491 146 2HA GLY 22 2HA GLY 22 -1.358 -7.738 10.178 147 H LYS 23 H LYS 23 -3.812 -9.502 9.439 148 HA LYS 23 HA LYS 23 -5.551 -7.220 8.645 149 1HB LYS 23 1HB LYS 23 -6.841 -9.022 7.237 150 2HB LYS 23 2HB LYS 23 -5.367 -9.961 7.342 151 1HG LYS 23 1HG LYS 23 -4.113 -8.000 6.344 152 2HG LYS 23 2HG LYS 23 -5.637 -7.163 6.164 153 1HD LYS 23 1HD LYS 23 -5.460 -8.127 4.050 154 2HD LYS 23 2HD LYS 23 -6.368 -9.382 4.868 155 1HE LYS 23 1HE LYS 23 -4.185 -10.553 5.388 156 2HE LYS 23 2HE LYS 23 -3.352 -9.337 4.429 157 1HZ LYS 23 1HZ LYS 23 -5.615 -10.788 3.262 158 2HZ LYS 23 2HZ LYS 23 -4.097 -11.546 3.365 159 3HZ LYS 23 3HZ LYS 23 -4.265 -10.094 2.500 160 H CYS 24 H CYS 24 -7.259 -7.149 10.061 161 HA CYS 24 HA CYS 24 -7.346 -8.965 12.230 162 1HB CYS 24 1HB CYS 24 -9.513 -7.860 12.792 163 2HB CYS 24 2HB CYS 24 -9.543 -7.126 11.232 164 H VAL 25 H VAL 25 -8.491 -10.574 12.792 165 HA VAL 25 HA VAL 25 -10.611 -11.696 11.119 166 HB VAL 25 HB VAL 25 -9.380 -13.938 11.439 167 1HG1 VAL 25 1HG1 VAL 25 -8.284 -13.750 9.239 168 2HG1 VAL 25 2HG1 VAL 25 -8.203 -12.004 9.387 169 3HG1 VAL 25 3HG1 VAL 25 -9.758 -12.802 9.210 170 1HG2 VAL 25 1HG2 VAL 25 -6.814 -12.355 11.262 171 2HG2 VAL 25 2HG2 VAL 25 -7.062 -13.985 11.867 172 3HG2 VAL 25 3HG2 VAL 25 -7.521 -12.613 12.840 173 H SER 26 H SER 26 -11.944 -12.899 12.272 174 HA SER 26 HA SER 26 -12.154 -12.518 15.077 175 1HB SER 26 1HB SER 26 -14.006 -14.281 14.812 176 2HB SER 26 2HB SER 26 -13.544 -14.346 13.096 177 HG SER 26 HG SER 26 -14.154 -11.988 14.550 178 H ILE 27 H ILE 27 -11.275 -13.565 16.656 179 HA ILE 27 HA ILE 27 -9.188 -15.336 16.582 180 HB ILE 27 HB ILE 27 -9.699 -15.966 18.844 181 1HG1 ILE 27 1HG1 ILE 27 -11.665 -15.338 20.095 182 2HG1 ILE 27 2HG1 ILE 27 -12.116 -16.362 18.758 183 1HG2 ILE 27 1HG2 ILE 27 -9.733 -13.113 17.992 184 2HG2 ILE 27 2HG2 ILE 27 -8.650 -13.943 19.086 185 3HG2 ILE 27 3HG2 ILE 27 -10.208 -13.384 19.656 186 1HD1 ILE 27 1HD1 ILE 27 -12.297 -13.347 18.703 187 2HD1 ILE 27 2HD1 ILE 27 -13.626 -14.401 19.115 188 3HD1 ILE 27 3HD1 ILE 27 -12.952 -14.452 17.497 189 H TYR 28 H TYR 28 -12.494 -15.995 16.363 190 HA TYR 28 HA TYR 28 -12.588 -18.818 16.761 191 1HB TYR 28 1HB TYR 28 -14.779 -18.697 15.637 192 2HB TYR 28 2HB TYR 28 -14.383 -17.133 14.953 193 HD1 TYR 28 HD1 TYR 28 -14.116 -18.606 18.423 194 HD2 TYR 28 HD2 TYR 28 -15.613 -15.441 15.990 195 HE1 TYR 28 HE1 TYR 28 -15.027 -17.504 20.407 196 HE2 TYR 28 HE2 TYR 28 -16.521 -14.347 17.979 197 HH TYR 28 HH TYR 28 -17.304 -15.233 20.371 198 H GLY 29 H GLY 29 -12.652 -17.044 13.687 199 1HA GLY 29 1HA GLY 29 -12.035 -17.665 11.528 200 2HA GLY 29 2HA GLY 29 -12.198 -19.339 12.046 201 H GLU 30 H GLU 30 -10.134 -16.765 13.212 202 HA GLU 30 HA GLU 30 -7.713 -18.401 13.072 203 1HB GLU 30 1HB GLU 30 -6.659 -16.185 12.055 204 2HB GLU 30 2HB GLU 30 -8.275 -15.891 11.474 205 1HG GLU 30 1HG GLU 30 -7.455 -18.659 10.865 206 2HG GLU 30 2HG GLU 30 -6.297 -17.505 10.236 Start of MODEL 14 1 1H SER 1 1H SER 1 -11.805 5.187 18.399 2 2H SER 1 2H SER 1 -10.172 4.720 18.429 3 3H SER 1 3H SER 1 -11.319 3.857 19.337 4 HA SER 1 HA SER 1 -12.441 3.219 17.265 5 1HB SER 1 1HB SER 1 -11.575 5.088 15.833 6 2HB SER 1 2HB SER 1 -11.085 3.542 15.124 7 HG SER 1 HG SER 1 -9.336 5.013 15.375 8 H CYS 2 H CYS 2 -11.532 1.412 15.887 9 HA CYS 2 HA CYS 2 -9.132 0.064 16.963 10 1HB CYS 2 1HB CYS 2 -10.966 -0.643 18.468 11 2HB CYS 2 2HB CYS 2 -10.361 -1.972 17.522 12 H SER 3 H SER 3 -8.572 -1.846 15.734 13 HA SER 3 HA SER 3 -9.020 -1.460 12.877 14 1HB SER 3 1HB SER 3 -7.377 -3.709 13.126 15 2HB SER 3 2HB SER 3 -7.104 -2.914 14.663 16 HG SER 3 HG SER 3 -5.780 -2.209 12.943 17 H GLY 4 H GLY 4 -11.050 -2.137 12.259 18 1HA GLY 4 1HA GLY 4 -12.967 -3.501 12.113 19 2HA GLY 4 2HA GLY 4 -12.279 -4.511 13.361 20 H ARG 5 H ARG 5 -13.293 -5.995 11.422 21 HA ARG 5 HA ARG 5 -11.382 -7.701 10.524 22 1HB ARG 5 1HB ARG 5 -13.141 -8.011 8.476 23 2HB ARG 5 2HB ARG 5 -14.115 -6.990 9.522 24 1HG ARG 5 1HG ARG 5 -13.818 -8.565 11.395 25 2HG ARG 5 2HG ARG 5 -12.700 -9.533 10.447 26 1HD ARG 5 1HD ARG 5 -14.553 -10.002 8.815 27 2HD ARG 5 2HD ARG 5 -15.663 -9.152 9.894 28 HE ARG 5 HE ARG 5 -14.350 -11.037 11.500 29 1HH1 ARG 5 1HH1 ARG 5 -17.014 -12.594 8.999 30 2HH1 ARG 5 2HH1 ARG 5 -16.338 -11.034 8.668 31 1HH2 ARG 5 1HH2 ARG 5 -15.201 -13.028 11.948 32 2HH2 ARG 5 2HH2 ARG 5 -16.361 -13.730 10.873 33 H ASP 6 H ASP 6 -9.818 -7.741 9.403 34 HA ASP 6 HA ASP 6 -8.403 -7.723 7.571 35 1HB ASP 6 1HB ASP 6 -9.781 -5.432 6.187 36 2HB ASP 6 2HB ASP 6 -10.622 -6.972 6.265 37 H SER 7 H SER 7 -8.883 -5.227 9.676 38 HA SER 7 HA SER 7 -6.974 -3.319 8.556 39 1HB SER 7 1HB SER 7 -7.356 -2.139 10.763 40 2HB SER 7 2HB SER 7 -8.240 -3.578 11.301 41 HG SER 7 HG SER 7 -9.737 -3.269 9.891 42 H ARG 8 H ARG 8 -4.953 -2.758 9.457 43 HA ARG 8 HA ARG 8 -3.155 -4.867 9.935 44 1HB ARG 8 1HB ARG 8 -1.522 -3.061 10.524 45 2HB ARG 8 2HB ARG 8 -2.847 -1.923 10.662 46 1HG ARG 8 1HG ARG 8 -2.039 -1.536 8.475 47 2HG ARG 8 2HG ARG 8 -3.426 -2.562 8.189 48 1HD ARG 8 1HD ARG 8 -1.870 -4.557 8.048 49 2HD ARG 8 2HD ARG 8 -0.516 -3.467 8.291 50 HE ARG 8 HE ARG 8 -0.920 -2.473 6.156 51 1HH1 ARG 8 1HH1 ARG 8 -3.650 -5.180 5.183 52 2HH1 ARG 8 2HH1 ARG 8 -3.144 -5.111 6.826 53 1HH2 ARG 8 1HH2 ARG 8 -1.550 -2.646 4.094 54 2HH2 ARG 8 2HH2 ARG 8 -2.729 -3.824 3.622 55 H CYS 9 H CYS 9 -2.554 -5.952 11.686 56 HA CYS 9 HA CYS 9 -2.753 -4.964 14.386 57 1HB CYS 9 1HB CYS 9 -4.951 -5.667 14.359 58 2HB CYS 9 2HB CYS 9 -4.190 -7.174 14.788 59 HA HYP 10 HA HYP 10 -3.202 -6.360 16.304 60 1HB HYP 10 1HB HYP 10 -3.585 -8.461 17.079 61 2HB HYP 10 2HB HYP 10 -2.375 -8.055 18.291 62 1HD HYP 10 1HD1 HYP 10 -0.796 -9.192 14.610 63 2HD HYP 10 2HD1 HYP 10 0.205 -8.222 15.717 64 HOD HYP 10 HD2 HYP 10 -2.115 -11.050 16.556 65 HG HYP 10 HG HYP 10 -0.834 -9.604 17.384 66 HA HYP 11 HA HYP 11 -3.412 -6.550 18.919 67 1HB HYP 11 1HB HYP 11 -2.334 -6.771 20.995 68 2HB HYP 11 2HB HYP 11 -3.102 -5.233 21.335 69 1HD HYP 11 1HD1 HYP 11 0.371 -4.946 19.007 70 2HD HYP 11 2HD1 HYP 11 -0.816 -3.629 19.049 71 HOD HYP 11 HD2 HYP 11 -0.177 -6.793 20.384 72 HG HYP 11 HG HYP 11 -0.956 -4.253 21.388 73 H VAL 12 H VAL 12 -3.465 -4.802 17.005 74 HA VAL 12 HA VAL 12 -4.630 -2.264 17.880 75 HB VAL 12 HB VAL 12 -4.410 -3.240 15.041 76 1HG1 VAL 12 1HG1 VAL 12 -4.345 -0.427 16.239 77 2HG1 VAL 12 2HG1 VAL 12 -5.729 -1.139 15.431 78 3HG1 VAL 12 3HG1 VAL 12 -4.267 -0.804 14.526 79 1HG2 VAL 12 1HG2 VAL 12 -2.169 -2.026 14.988 80 2HG2 VAL 12 2HG2 VAL 12 -2.147 -3.470 15.981 81 3HG2 VAL 12 3HG2 VAL 12 -2.255 -1.889 16.737 82 H CYS 13 H CYS 13 -5.705 -5.251 16.430 83 HA CYS 13 HA CYS 13 -8.178 -4.449 15.453 84 1HB CYS 13 1HB CYS 13 -8.876 -6.790 15.797 85 2HB CYS 13 2HB CYS 13 -7.387 -7.066 16.654 86 H CYS 14 H CYS 14 -10.164 -4.930 15.945 87 HA CYS 14 HA CYS 14 -11.173 -3.804 18.356 88 1HB CYS 14 1HB CYS 14 -13.404 -4.426 17.240 89 2HB CYS 14 2HB CYS 14 -12.469 -5.309 16.099 90 H MET 15 H MET 15 -12.919 -4.913 19.602 91 HA MET 15 HA MET 15 -11.857 -7.208 20.916 92 1HB MET 15 1HB MET 15 -14.734 -6.199 21.100 93 2HB MET 15 2HB MET 15 -13.401 -5.394 21.899 94 1HG MET 15 1HG MET 15 -13.031 -7.143 23.385 95 2HG MET 15 2HG MET 15 -13.723 -8.344 22.336 96 1HE MET 15 1HE MET 15 -15.823 -5.797 25.447 97 2HE MET 15 2HE MET 15 -14.750 -5.084 24.260 98 3HE MET 15 3HE MET 15 -14.132 -6.272 25.434 99 H GLY 16 H GLY 16 -11.726 -9.095 19.882 100 1HA GLY 16 1HA GLY 16 -14.136 -10.167 18.461 101 2HA GLY 16 2HA GLY 16 -13.038 -11.153 19.420 102 H LEU 17 H LEU 17 -11.290 -8.819 17.814 103 HA LEU 17 HA LEU 17 -10.645 -10.568 15.497 104 1HB LEU 17 1HB LEU 17 -9.802 -8.264 14.619 105 2HB LEU 17 2HB LEU 17 -10.780 -7.591 15.889 106 HG LEU 17 HG LEU 17 -12.747 -8.940 14.951 107 1HD1 LEU 17 1HD1 LEU 17 -12.846 -6.581 14.634 108 2HD1 LEU 17 2HD1 LEU 17 -12.958 -7.181 13.004 109 3HD1 LEU 17 3HD1 LEU 17 -11.427 -6.563 13.599 110 1HD2 LEU 17 1HD2 LEU 17 -12.466 -10.118 13.002 111 2HD2 LEU 17 2HD2 LEU 17 -10.738 -9.939 13.280 112 3HD2 LEU 17 3HD2 LEU 17 -11.568 -8.808 12.252 113 H MET 18 H MET 18 -8.542 -10.894 14.997 114 HA MET 18 HA MET 18 -6.366 -9.868 16.766 115 1HB MET 18 1HB MET 18 -7.008 -12.230 17.446 116 2HB MET 18 2HB MET 18 -5.380 -12.143 16.817 117 1HG MET 18 1HG MET 18 -6.896 -12.648 14.537 118 2HG MET 18 2HG MET 18 -7.724 -13.532 15.765 119 1HE MET 18 1HE MET 18 -5.807 -16.608 16.337 120 2HE MET 18 2HE MET 18 -7.380 -15.929 15.972 121 3HE MET 18 3HE MET 18 -6.445 -15.340 17.367 122 H CYS 19 H CYS 19 -4.752 -11.858 14.776 123 HA CYS 19 HA CYS 19 -5.177 -10.324 12.274 124 1HB CYS 19 1HB CYS 19 -2.380 -10.170 13.065 125 2HB CYS 19 2HB CYS 19 -3.475 -9.293 14.097 126 H SER 20 H SER 20 -5.014 -11.366 10.632 127 HA SER 20 HA SER 20 -3.566 -13.899 10.420 128 1HB SER 20 1HB SER 20 -4.734 -13.651 7.974 129 2HB SER 20 2HB SER 20 -5.744 -12.482 8.836 130 HG SER 20 HG SER 20 -6.704 -14.203 9.546 131 H ARG 21 H ARG 21 -1.682 -12.606 10.800 132 HA ARG 21 HA ARG 21 0.410 -11.904 10.093 133 1HB ARG 21 1HB ARG 21 1.055 -12.086 7.780 134 2HB ARG 21 2HB ARG 21 -0.594 -11.974 7.206 135 1HG ARG 21 1HG ARG 21 -1.055 -14.149 8.496 136 2HG ARG 21 2HG ARG 21 0.666 -14.239 8.795 137 1HD ARG 21 1HD ARG 21 -0.752 -14.266 6.083 138 2HD ARG 21 2HD ARG 21 0.124 -15.606 6.802 139 HE ARG 21 HE ARG 21 1.287 -13.321 5.406 140 1HH1 ARG 21 1HH1 ARG 21 3.538 -15.842 7.489 141 2HH1 ARG 21 2HH1 ARG 21 1.824 -15.840 7.731 142 1HH2 ARG 21 1HH2 ARG 21 3.448 -13.309 5.095 143 2HH2 ARG 21 2HH2 ARG 21 4.473 -14.388 5.981 144 H GLY 22 H GLY 22 -2.295 -10.115 9.848 145 1HA GLY 22 1HA GLY 22 -0.933 -7.744 8.612 146 2HA GLY 22 2HA GLY 22 -1.461 -7.614 10.277 147 H LYS 23 H LYS 23 -3.847 -9.306 9.510 148 HA LYS 23 HA LYS 23 -5.578 -7.066 8.634 149 1HB LYS 23 1HB LYS 23 -6.788 -8.846 7.130 150 2HB LYS 23 2HB LYS 23 -5.316 -9.784 7.272 151 1HG LYS 23 1HG LYS 23 -4.007 -7.899 6.337 152 2HG LYS 23 2HG LYS 23 -5.456 -6.919 6.230 153 1HD LYS 23 1HD LYS 23 -6.413 -8.762 4.698 154 2HD LYS 23 2HD LYS 23 -4.802 -9.452 4.677 155 1HE LYS 23 1HE LYS 23 -5.552 -6.638 3.755 156 2HE LYS 23 2HE LYS 23 -5.078 -7.979 2.725 157 1HZ LYS 23 1HZ LYS 23 -2.918 -7.990 3.755 158 2HZ LYS 23 2HZ LYS 23 -3.375 -6.734 4.803 159 3HZ LYS 23 3HZ LYS 23 -3.262 -6.447 3.133 160 H CYS 24 H CYS 24 -7.319 -7.067 10.024 161 HA CYS 24 HA CYS 24 -7.388 -8.996 12.109 162 1HB CYS 24 1HB CYS 24 -9.537 -7.921 12.754 163 2HB CYS 24 2HB CYS 24 -9.567 -7.075 11.249 164 H VAL 25 H VAL 25 -8.537 -10.603 12.593 165 HA VAL 25 HA VAL 25 -10.680 -11.676 10.924 166 HB VAL 25 HB VAL 25 -9.395 -13.924 11.143 167 1HG1 VAL 25 1HG1 VAL 25 -9.848 -12.640 8.968 168 2HG1 VAL 25 2HG1 VAL 25 -8.442 -13.684 8.912 169 3HG1 VAL 25 3HG1 VAL 25 -8.239 -11.952 9.119 170 1HG2 VAL 25 1HG2 VAL 25 -6.855 -12.318 10.944 171 2HG2 VAL 25 2HG2 VAL 25 -7.099 -13.965 11.508 172 3HG2 VAL 25 3HG2 VAL 25 -7.521 -12.618 12.532 173 H SER 26 H SER 26 -11.920 -13.028 12.144 174 HA SER 26 HA SER 26 -12.129 -12.508 14.876 175 1HB SER 26 1HB SER 26 -13.163 -15.033 13.543 176 2HB SER 26 2HB SER 26 -13.994 -13.460 13.534 177 HG SER 26 HG SER 26 -13.427 -13.596 15.913 178 H ILE 27 H ILE 27 -11.477 -13.345 16.652 179 HA ILE 27 HA ILE 27 -9.066 -14.821 16.873 180 HB ILE 27 HB ILE 27 -10.133 -15.320 19.322 181 1HG1 ILE 27 1HG1 ILE 27 -11.599 -12.795 18.558 182 2HG1 ILE 27 2HG1 ILE 27 -11.558 -13.557 20.122 183 1HG2 ILE 27 1HG2 ILE 27 -9.181 -12.592 18.386 184 2HG2 ILE 27 2HG2 ILE 27 -8.133 -13.927 18.861 185 3HG2 ILE 27 3HG2 ILE 27 -9.170 -13.149 20.051 186 1HD1 ILE 27 1HD1 ILE 27 -12.957 -14.542 17.656 187 2HD1 ILE 27 2HD1 ILE 27 -13.597 -14.273 19.267 188 3HD1 ILE 27 3HD1 ILE 27 -12.523 -15.633 18.966 189 H TYR 28 H TYR 28 -12.244 -15.827 16.374 190 HA TYR 28 HA TYR 28 -11.797 -18.635 17.179 191 1HB TYR 28 1HB TYR 28 -14.179 -18.917 16.447 192 2HB TYR 28 2HB TYR 28 -14.205 -17.253 15.904 193 HD1 TYR 28 HD1 TYR 28 -15.652 -16.105 17.332 194 HD2 TYR 28 HD2 TYR 28 -12.808 -18.766 19.069 195 HE1 TYR 28 HE1 TYR 28 -16.310 -15.361 19.567 196 HE2 TYR 28 HE2 TYR 28 -13.469 -18.016 21.295 197 HH TYR 28 HH TYR 28 -16.233 -16.457 21.968 198 H GLY 29 H GLY 29 -12.605 -16.764 14.319 199 1HA GLY 29 1HA GLY 29 -12.114 -17.064 12.053 200 2HA GLY 29 2HA GLY 29 -12.594 -18.731 12.345 201 H GLU 30 H GLU 30 -9.883 -16.797 13.448 202 HA GLU 30 HA GLU 30 -7.938 -18.647 12.164 203 1HB GLU 30 1HB GLU 30 -7.396 -15.846 13.211 204 2HB GLU 30 2HB GLU 30 -8.061 -16.115 11.616 205 1HG GLU 30 1HG GLU 30 -6.005 -16.517 10.780 206 2HG GLU 30 2HG GLU 30 -5.818 -17.897 11.835 Start of MODEL 15 1 1H SER 1 1H SER 1 -9.967 4.437 17.753 2 2H SER 1 2H SER 1 -10.936 5.444 16.788 3 3H SER 1 3H SER 1 -9.669 4.559 16.086 4 HA SER 1 HA SER 1 -11.992 3.311 17.420 5 1HB SER 1 1HB SER 1 -12.810 4.547 15.420 6 2HB SER 1 2HB SER 1 -12.764 2.825 15.014 7 HG SER 1 HG SER 1 -11.306 3.281 13.600 8 H CYS 2 H CYS 2 -11.925 1.124 17.408 9 HA CYS 2 HA CYS 2 -9.398 -0.202 17.218 10 1HB CYS 2 1HB CYS 2 -11.316 -0.896 18.660 11 2HB CYS 2 2HB CYS 2 -10.592 -2.192 17.753 12 H SER 3 H SER 3 -8.805 -1.960 15.865 13 HA SER 3 HA SER 3 -9.391 -1.481 13.041 14 1HB SER 3 1HB SER 3 -7.479 -3.509 13.119 15 2HB SER 3 2HB SER 3 -7.260 -2.787 14.700 16 HG SER 3 HG SER 3 -7.318 -0.725 13.627 17 H GLY 4 H GLY 4 -11.300 -2.355 12.395 18 1HA GLY 4 1HA GLY 4 -13.069 -3.892 12.214 19 2HA GLY 4 2HA GLY 4 -12.292 -4.852 13.447 20 H ARG 5 H ARG 5 -13.197 -6.337 11.435 21 HA ARG 5 HA ARG 5 -11.183 -7.914 10.539 22 1HB ARG 5 1HB ARG 5 -12.894 -8.190 8.413 23 2HB ARG 5 2HB ARG 5 -13.929 -7.333 9.539 24 1HG ARG 5 1HG ARG 5 -13.525 -9.039 11.268 25 2HG ARG 5 2HG ARG 5 -12.348 -9.844 10.250 26 1HD ARG 5 1HD ARG 5 -14.907 -9.528 8.833 27 2HD ARG 5 2HD ARG 5 -15.125 -10.387 10.347 28 HE ARG 5 HE ARG 5 -13.702 -11.350 7.998 29 1HH1 ARG 5 1HH1 ARG 5 -13.300 -13.162 11.516 30 2HH1 ARG 5 2HH1 ARG 5 -13.958 -11.564 11.451 31 1HH2 ARG 5 1HH2 ARG 5 -12.848 -13.366 8.056 32 2HH2 ARG 5 2HH2 ARG 5 -12.690 -14.192 9.573 33 H ASP 6 H ASP 6 -9.641 -7.924 9.355 34 HA ASP 6 HA ASP 6 -8.175 -7.748 7.571 35 1HB ASP 6 1HB ASP 6 -8.695 -6.354 5.589 36 2HB ASP 6 2HB ASP 6 -10.124 -5.728 6.367 37 H SER 7 H SER 7 -8.810 -5.343 9.713 38 HA SER 7 HA SER 7 -7.016 -3.296 8.649 39 1HB SER 7 1HB SER 7 -7.475 -2.217 10.910 40 2HB SER 7 2HB SER 7 -8.323 -3.708 11.353 41 HG SER 7 HG SER 7 -9.804 -3.371 9.945 42 H ARG 8 H ARG 8 -5.012 -2.660 9.558 43 HA ARG 8 HA ARG 8 -3.148 -4.712 10.022 44 1HB ARG 8 1HB ARG 8 -1.761 -2.619 10.980 45 2HB ARG 8 2HB ARG 8 -3.124 -1.717 10.353 46 1HG ARG 8 1HG ARG 8 -1.745 -1.747 8.469 47 2HG ARG 8 2HG ARG 8 -2.725 -3.160 8.158 48 1HD ARG 8 1HD ARG 8 -0.453 -3.954 9.811 49 2HD ARG 8 2HD ARG 8 0.140 -3.039 8.437 50 HE ARG 8 HE ARG 8 -1.080 -5.669 8.368 51 1HH1 ARG 8 1HH1 ARG 8 -0.702 -3.533 5.042 52 2HH1 ARG 8 2HH1 ARG 8 -0.554 -2.747 6.577 53 1HH2 ARG 8 1HH2 ARG 8 -1.276 -6.676 6.441 54 2HH2 ARG 8 2HH2 ARG 8 -1.121 -5.789 4.962 55 H CYS 9 H CYS 9 -2.477 -5.766 11.752 56 HA CYS 9 HA CYS 9 -2.711 -4.786 14.459 57 1HB CYS 9 1HB CYS 9 -4.870 -5.575 14.434 58 2HB CYS 9 2HB CYS 9 -4.054 -7.052 14.867 59 HA HYP 10 HA HYP 10 -3.119 -6.163 16.387 60 1HB HYP 10 1HB HYP 10 -3.398 -8.254 17.225 61 2HB HYP 10 2HB HYP 10 -2.201 -7.762 18.418 62 1HD HYP 10 1HD1 HYP 10 -0.570 -8.913 14.766 63 2HD HYP 10 2HD1 HYP 10 0.379 -7.871 15.852 64 HOD HYP 10 HD2 HYP 10 -2.866 -9.672 15.930 65 HG HYP 10 HG HYP 10 -0.596 -9.256 17.550 66 HA HYP 11 HA HYP 11 -3.319 -6.315 19.020 67 1HB HYP 11 1HB HYP 11 -2.207 -6.435 21.089 68 2HB HYP 11 2HB HYP 11 -3.076 -4.948 21.410 69 1HD HYP 11 1HD1 HYP 11 0.370 -4.510 19.065 70 2HD HYP 11 2HD1 HYP 11 -0.879 -3.251 19.069 71 HOD HYP 11 HD2 HYP 11 -0.181 -5.817 22.061 72 HG HYP 11 HG HYP 11 -1.011 -3.812 21.419 73 H VAL 12 H VAL 12 -3.473 -4.592 17.075 74 HA VAL 12 HA VAL 12 -4.785 -2.121 17.937 75 HB VAL 12 HB VAL 12 -4.531 -3.083 15.103 76 1HG1 VAL 12 1HG1 VAL 12 -4.502 -0.644 14.593 77 2HG1 VAL 12 2HG1 VAL 12 -4.576 -0.272 16.307 78 3HG1 VAL 12 3HG1 VAL 12 -5.937 -1.043 15.514 79 1HG2 VAL 12 1HG2 VAL 12 -2.426 -1.642 16.790 80 2HG2 VAL 12 2HG2 VAL 12 -2.342 -1.769 15.040 81 3HG2 VAL 12 3HG2 VAL 12 -2.251 -3.214 16.027 82 H CYS 13 H CYS 13 -5.699 -5.163 16.494 83 HA CYS 13 HA CYS 13 -8.210 -4.470 15.529 84 1HB CYS 13 1HB CYS 13 -8.782 -6.856 15.819 85 2HB CYS 13 2HB CYS 13 -7.292 -7.067 16.695 86 H CYS 14 H CYS 14 -10.171 -5.142 16.031 87 HA CYS 14 HA CYS 14 -11.233 -4.089 18.461 88 1HB CYS 14 1HB CYS 14 -13.427 -4.821 17.346 89 2HB CYS 14 2HB CYS 14 -12.450 -5.643 16.195 90 H MET 15 H MET 15 -12.905 -5.322 19.705 91 HA MET 15 HA MET 15 -11.685 -7.565 20.978 92 1HB MET 15 1HB MET 15 -14.554 -6.538 21.207 93 2HB MET 15 2HB MET 15 -13.195 -5.921 22.123 94 1HG MET 15 1HG MET 15 -12.950 -8.571 22.700 95 2HG MET 15 2HG MET 15 -14.664 -8.490 22.413 96 1HE MET 15 1HE MET 15 -11.812 -6.560 24.300 97 2HE MET 15 2HE MET 15 -11.880 -8.241 24.885 98 3HE MET 15 3HE MET 15 -12.304 -6.908 25.945 99 H GLY 16 H GLY 16 -11.474 -9.402 19.913 100 1HA GLY 16 1HA GLY 16 -13.823 -10.591 18.479 101 2HA GLY 16 2HA GLY 16 -12.714 -11.534 19.474 102 H LEU 17 H LEU 17 -11.172 -9.038 17.814 103 HA LEU 17 HA LEU 17 -10.321 -10.783 15.566 104 1HB LEU 17 1HB LEU 17 -9.600 -8.446 14.676 105 2HB LEU 17 2HB LEU 17 -10.629 -7.818 15.929 106 HG LEU 17 HG LEU 17 -12.523 -9.247 14.980 107 1HD1 LEU 17 1HD1 LEU 17 -12.806 -7.517 13.025 108 2HD1 LEU 17 2HD1 LEU 17 -11.277 -6.855 13.574 109 3HD1 LEU 17 3HD1 LEU 17 -12.670 -6.873 14.640 110 1HD2 LEU 17 1HD2 LEU 17 -12.249 -10.372 12.995 111 2HD2 LEU 17 2HD2 LEU 17 -10.532 -10.254 13.354 112 3HD2 LEU 17 3HD2 LEU 17 -11.279 -9.090 12.291 113 H MET 18 H MET 18 -8.195 -10.999 15.120 114 HA MET 18 HA MET 18 -6.104 -9.830 16.903 115 1HB MET 18 1HB MET 18 -6.569 -12.232 17.570 116 2HB MET 18 2HB MET 18 -4.966 -12.055 16.900 117 1HG MET 18 1HG MET 18 -6.518 -12.603 14.650 118 2HG MET 18 2HG MET 18 -7.268 -13.551 15.878 119 1HE MET 18 1HE MET 18 -6.654 -16.062 16.073 120 2HE MET 18 2HE MET 18 -5.947 -15.153 17.430 121 3HE MET 18 3HE MET 18 -5.008 -16.379 16.611 122 H CYS 19 H CYS 19 -4.408 -11.741 14.883 123 HA CYS 19 HA CYS 19 -4.905 -10.227 12.397 124 1HB CYS 19 1HB CYS 19 -2.111 -9.939 13.195 125 2HB CYS 19 2HB CYS 19 -3.253 -9.091 14.201 126 H SER 20 H SER 20 -4.695 -11.312 10.768 127 HA SER 20 HA SER 20 -3.103 -13.768 10.631 128 1HB SER 20 1HB SER 20 -4.274 -13.673 8.174 129 2HB SER 20 2HB SER 20 -5.358 -12.543 8.996 130 HG SER 20 HG SER 20 -6.213 -14.353 9.664 131 H ARG 21 H ARG 21 -1.302 -12.309 10.959 132 HA ARG 21 HA ARG 21 0.709 -11.447 10.263 133 1HB ARG 21 1HB ARG 21 0.094 -13.186 8.290 134 2HB ARG 21 2HB ARG 21 1.524 -12.200 8.240 135 1HG ARG 21 1HG ARG 21 -0.743 -10.779 6.962 136 2HG ARG 21 2HG ARG 21 -0.513 -12.366 6.275 137 1HD ARG 21 1HD ARG 21 1.845 -11.882 5.802 138 2HD ARG 21 2HD ARG 21 1.724 -10.308 6.572 139 HE ARG 21 HE ARG 21 0.663 -11.062 3.942 140 1HH1 ARG 21 1HH1 ARG 21 -0.508 -7.912 3.368 141 2HH1 ARG 21 2HH1 ARG 21 -0.162 -9.470 2.695 142 1HH2 ARG 21 1HH2 ARG 21 0.552 -8.777 6.571 143 2HH2 ARG 21 2HH2 ARG 21 -0.089 -7.524 5.569 144 H GLY 22 H GLY 22 -1.990 -9.770 10.130 145 1HA GLY 22 1HA GLY 22 -0.834 -7.497 8.547 146 2HA GLY 22 2HA GLY 22 -1.299 -7.247 10.219 147 H LYS 23 H LYS 23 -3.600 -9.159 9.653 148 HA LYS 23 HA LYS 23 -5.498 -7.081 8.758 149 1HB LYS 23 1HB LYS 23 -6.615 -9.044 7.367 150 2HB LYS 23 2HB LYS 23 -5.019 -9.759 7.409 151 1HG LYS 23 1HG LYS 23 -4.055 -8.088 6.103 152 2HG LYS 23 2HG LYS 23 -5.208 -6.868 6.594 153 1HD LYS 23 1HD LYS 23 -6.992 -8.214 5.302 154 2HD LYS 23 2HD LYS 23 -5.664 -9.145 4.629 155 1HE LYS 23 1HE LYS 23 -4.680 -7.103 3.665 156 2HE LYS 23 2HE LYS 23 -5.917 -6.113 4.431 157 1HZ LYS 23 1HZ LYS 23 -7.592 -7.226 3.147 158 2HZ LYS 23 2HZ LYS 23 -6.432 -8.243 2.440 159 3HZ LYS 23 3HZ LYS 23 -6.408 -6.576 2.115 160 H CYS 24 H CYS 24 -7.198 -7.138 10.120 161 HA CYS 24 HA CYS 24 -7.206 -9.002 12.263 162 1HB CYS 24 1HB CYS 24 -9.427 -7.966 12.836 163 2HB CYS 24 2HB CYS 24 -9.424 -7.180 11.297 164 H VAL 25 H VAL 25 -8.183 -10.710 12.734 165 HA VAL 25 HA VAL 25 -10.341 -11.885 11.155 166 HB VAL 25 HB VAL 25 -8.936 -14.052 11.209 167 1HG1 VAL 25 1HG1 VAL 25 -8.019 -13.655 8.987 168 2HG1 VAL 25 2HG1 VAL 25 -7.947 -11.922 9.261 169 3HG1 VAL 25 3HG1 VAL 25 -9.502 -12.727 9.105 170 1HG2 VAL 25 1HG2 VAL 25 -6.686 -14.027 11.664 171 2HG2 VAL 25 2HG2 VAL 25 -7.088 -12.605 12.591 172 3HG2 VAL 25 3HG2 VAL 25 -6.447 -12.424 10.978 173 H SER 26 H SER 26 -11.396 -13.404 12.344 174 HA SER 26 HA SER 26 -11.727 -13.067 15.065 175 1HB SER 26 1HB SER 26 -12.262 -15.453 13.331 176 2HB SER 26 2HB SER 26 -13.422 -14.228 13.878 177 HG SER 26 HG SER 26 -12.689 -14.937 16.045 178 H ILE 27 H ILE 27 -10.956 -13.753 16.831 179 HA ILE 27 HA ILE 27 -8.335 -14.833 17.109 180 HB ILE 27 HB ILE 27 -9.396 -15.406 19.578 181 1HG1 ILE 27 1HG1 ILE 27 -10.994 -12.972 18.783 182 2HG1 ILE 27 2HG1 ILE 27 -10.976 -13.789 20.318 183 1HG2 ILE 27 1HG2 ILE 27 -8.606 -12.654 18.574 184 2HG2 ILE 27 2HG2 ILE 27 -7.488 -13.912 19.091 185 3HG2 ILE 27 3HG2 ILE 27 -8.579 -13.171 20.255 186 1HD1 ILE 27 1HD1 ILE 27 -11.775 -15.872 18.958 187 2HD1 ILE 27 2HD1 ILE 27 -12.325 -14.671 17.798 188 3HD1 ILE 27 3HD1 ILE 27 -12.922 -14.635 19.444 189 H TYR 28 H TYR 28 -11.337 -16.324 16.663 190 HA TYR 28 HA TYR 28 -10.488 -18.994 17.601 191 1HB TYR 28 1HB TYR 28 -12.770 -19.669 16.936 192 2HB TYR 28 2HB TYR 28 -13.042 -18.124 16.161 193 HD1 TYR 28 HD1 TYR 28 -11.608 -19.015 19.536 194 HD2 TYR 28 HD2 TYR 28 -14.661 -16.972 17.372 195 HE1 TYR 28 HE1 TYR 28 -12.477 -18.096 21.626 196 HE2 TYR 28 HE2 TYR 28 -15.527 -16.057 19.468 197 HH TYR 28 HH TYR 28 -14.241 -15.592 21.943 198 H GLY 29 H GLY 29 -11.456 -17.300 14.706 199 1HA GLY 29 1HA GLY 29 -10.170 -19.339 12.987 200 2HA GLY 29 2HA GLY 29 -9.904 -17.616 12.716 201 H GLU 30 H GLU 30 -12.758 -17.196 13.613 202 HA GLU 30 HA GLU 30 -14.213 -18.091 11.170 203 1HB GLU 30 1HB GLU 30 -16.216 -17.478 12.841 204 2HB GLU 30 2HB GLU 30 -14.984 -17.603 14.075 205 1HG GLU 30 1HG GLU 30 -15.883 -19.778 12.134 206 2HG GLU 30 2HG GLU 30 -16.097 -19.764 13.873 Start of MODEL 16 1 1H SER 1 1H SER 1 -12.304 4.761 18.772 2 2H SER 1 2H SER 1 -11.129 3.834 19.576 3 3H SER 1 3H SER 1 -12.585 3.114 19.080 4 HA SER 1 HA SER 1 -12.027 3.370 16.794 5 1HB SER 1 1HB SER 1 -9.766 4.322 16.169 6 2HB SER 1 2HB SER 1 -9.508 4.750 17.871 7 HG SER 1 HG SER 1 -11.538 5.871 17.748 8 H CYS 2 H CYS 2 -11.200 1.594 15.885 9 HA CYS 2 HA CYS 2 -8.981 0.071 17.010 10 1HB CYS 2 1HB CYS 2 -10.823 -0.615 18.512 11 2HB CYS 2 2HB CYS 2 -10.272 -1.938 17.529 12 H SER 3 H SER 3 -8.500 -1.849 15.747 13 HA SER 3 HA SER 3 -8.957 -1.405 12.894 14 1HB SER 3 1HB SER 3 -7.360 -3.679 13.069 15 2HB SER 3 2HB SER 3 -7.062 -2.946 14.633 16 HG SER 3 HG SER 3 -5.733 -2.211 12.939 17 H GLY 4 H GLY 4 -11.012 -2.035 12.297 18 1HA GLY 4 1HA GLY 4 -12.927 -3.371 12.095 19 2HA GLY 4 2HA GLY 4 -12.289 -4.383 13.373 20 H ARG 5 H ARG 5 -13.354 -5.783 11.376 21 HA ARG 5 HA ARG 5 -11.547 -7.621 10.546 22 1HB ARG 5 1HB ARG 5 -13.255 -7.713 8.399 23 2HB ARG 5 2HB ARG 5 -14.185 -6.714 9.498 24 1HG ARG 5 1HG ARG 5 -14.013 -8.444 11.259 25 2HG ARG 5 2HG ARG 5 -12.966 -9.418 10.241 26 1HD ARG 5 1HD ARG 5 -15.777 -8.624 9.380 27 2HD ARG 5 2HD ARG 5 -15.428 -10.119 10.247 28 HE ARG 5 HE ARG 5 -13.650 -9.953 8.035 29 1HH1 ARG 5 1HH1 ARG 5 -17.340 -11.233 7.293 30 2HH1 ARG 5 2HH1 ARG 5 -17.024 -10.320 8.731 31 1HH2 ARG 5 1HH2 ARG 5 -14.024 -11.098 6.207 32 2HH2 ARG 5 2HH2 ARG 5 -15.613 -11.680 5.838 33 H ASP 6 H ASP 6 -9.948 -7.780 9.489 34 HA ASP 6 HA ASP 6 -8.396 -7.825 7.797 35 1HB ASP 6 1HB ASP 6 -9.792 -5.693 6.193 36 2HB ASP 6 2HB ASP 6 -10.538 -7.279 6.334 37 H SER 7 H SER 7 -8.910 -5.287 9.726 38 HA SER 7 HA SER 7 -7.068 -3.350 8.534 39 1HB SER 7 1HB SER 7 -7.395 -2.174 10.776 40 2HB SER 7 2HB SER 7 -8.333 -3.587 11.285 41 HG SER 7 HG SER 7 -9.893 -3.010 10.073 42 H ARG 8 H ARG 8 -5.018 -2.747 9.428 43 HA ARG 8 HA ARG 8 -3.209 -4.835 9.878 44 1HB ARG 8 1HB ARG 8 -2.624 -2.548 9.077 45 2HB ARG 8 2HB ARG 8 -1.567 -3.085 10.357 46 1HG ARG 8 1HG ARG 8 -3.993 -1.539 11.247 47 2HG ARG 8 2HG ARG 8 -2.827 -0.637 10.312 48 1HD ARG 8 1HD ARG 8 -1.755 -2.366 12.542 49 2HD ARG 8 2HD ARG 8 -2.558 -0.856 12.968 50 HE ARG 8 HE ARG 8 -0.809 -0.149 10.932 51 1HH1 ARG 8 1HH1 ARG 8 1.057 -1.136 14.298 52 2HH1 ARG 8 2HH1 ARG 8 -0.549 -1.718 14.013 53 1HH2 ARG 8 1HH2 ARG 8 1.223 0.585 11.269 54 2HH2 ARG 8 2HH2 ARG 8 2.076 0.182 12.722 55 H CYS 9 H CYS 9 -2.602 -5.981 11.584 56 HA CYS 9 HA CYS 9 -2.773 -5.064 14.311 57 1HB CYS 9 1HB CYS 9 -4.974 -5.729 14.256 58 2HB CYS 9 2HB CYS 9 -4.228 -7.241 14.703 59 HA HYP 10 HA HYP 10 -3.205 -6.471 16.212 60 1HB HYP 10 1HB HYP 10 -3.583 -8.581 16.965 61 2HB HYP 10 2HB HYP 10 -2.369 -8.185 18.177 62 1HD HYP 10 1HD1 HYP 10 -0.829 -9.304 14.474 63 2HD HYP 10 2HD1 HYP 10 0.193 -8.337 15.561 64 HOD HYP 10 HD2 HYP 10 -3.143 -10.049 15.750 65 HG HYP 10 HG HYP 10 -0.805 -9.689 17.258 66 HA HYP 11 HA HYP 11 -3.377 -6.685 18.838 67 1HB HYP 11 1HB HYP 11 -2.246 -6.929 20.889 68 2HB HYP 11 2HB HYP 11 -3.022 -5.402 21.262 69 1HD HYP 11 1HD1 HYP 11 0.415 -5.107 18.880 70 2HD HYP 11 2HD1 HYP 11 -0.755 -3.776 18.934 71 HOD HYP 11 HD2 HYP 11 -0.224 -6.508 21.827 72 HG HYP 11 HG HYP 11 -0.895 -4.386 21.269 73 H VAL 12 H VAL 12 -3.421 -4.906 16.945 74 HA VAL 12 HA VAL 12 -4.572 -2.378 17.866 75 HB VAL 12 HB VAL 12 -4.358 -3.304 15.016 76 1HG1 VAL 12 1HG1 VAL 12 -4.195 -0.865 14.540 77 2HG1 VAL 12 2HG1 VAL 12 -4.252 -0.511 16.258 78 3HG1 VAL 12 3HG1 VAL 12 -5.653 -1.193 15.452 79 1HG2 VAL 12 1HG2 VAL 12 -2.186 -2.081 16.781 80 2HG2 VAL 12 2HG2 VAL 12 -2.104 -2.047 15.029 81 3HG2 VAL 12 3HG2 VAL 12 -2.097 -3.581 15.874 82 H CYS 13 H CYS 13 -5.670 -5.331 16.380 83 HA CYS 13 HA CYS 13 -8.121 -4.538 15.374 84 1HB CYS 13 1HB CYS 13 -8.850 -6.868 15.815 85 2HB CYS 13 2HB CYS 13 -7.344 -7.119 16.645 86 H CYS 14 H CYS 14 -10.135 -4.925 15.862 87 HA CYS 14 HA CYS 14 -11.103 -3.759 18.282 88 1HB CYS 14 1HB CYS 14 -13.360 -4.316 17.165 89 2HB CYS 14 2HB CYS 14 -12.437 -5.150 15.974 90 H MET 15 H MET 15 -12.966 -4.852 19.464 91 HA MET 15 HA MET 15 -11.981 -7.157 20.787 92 1HB MET 15 1HB MET 15 -13.478 -5.481 21.844 93 2HB MET 15 2HB MET 15 -14.124 -7.097 22.007 94 1HG MET 15 1HG MET 15 -15.837 -6.725 20.493 95 2HG MET 15 2HG MET 15 -14.985 -5.462 19.648 96 1HE MET 15 1HE MET 15 -17.750 -5.108 23.229 97 2HE MET 15 2HE MET 15 -16.483 -6.317 23.148 98 3HE MET 15 3HE MET 15 -17.809 -6.321 21.959 99 H GLY 16 H GLY 16 -11.941 -9.135 20.054 100 1HA GLY 16 1HA GLY 16 -14.197 -10.247 18.448 101 2HA GLY 16 2HA GLY 16 -13.074 -11.181 19.424 102 H LEU 17 H LEU 17 -11.375 -8.808 17.791 103 HA LEU 17 HA LEU 17 -10.699 -10.564 15.496 104 1HB LEU 17 1HB LEU 17 -9.850 -8.294 14.590 105 2HB LEU 17 2HB LEU 17 -10.757 -7.581 15.886 106 HG LEU 17 HG LEU 17 -12.794 -8.892 15.018 107 1HD1 LEU 17 1HD1 LEU 17 -12.916 -7.039 13.030 108 2HD1 LEU 17 2HD1 LEU 17 -11.493 -6.426 13.845 109 3HD1 LEU 17 3HD1 LEU 17 -13.021 -6.571 14.704 110 1HD2 LEU 17 1HD2 LEU 17 -10.985 -9.978 13.268 111 2HD2 LEU 17 2HD2 LEU 17 -11.589 -8.666 12.292 112 3HD2 LEU 17 3HD2 LEU 17 -12.705 -9.865 12.914 113 H MET 18 H MET 18 -8.591 -10.909 15.017 114 HA MET 18 HA MET 18 -6.406 -9.853 16.754 115 1HB MET 18 1HB MET 18 -7.118 -12.231 17.470 116 2HB MET 18 2HB MET 18 -5.450 -12.090 16.979 117 1HG MET 18 1HG MET 18 -7.099 -12.733 14.682 118 2HG MET 18 2HG MET 18 -7.400 -13.850 15.975 119 1HE MET 18 1HE MET 18 -4.555 -16.068 16.284 120 2HE MET 18 2HE MET 18 -6.025 -15.400 16.947 121 3HE MET 18 3HE MET 18 -4.470 -14.628 17.307 122 H CYS 19 H CYS 19 -4.734 -11.839 14.866 123 HA CYS 19 HA CYS 19 -5.266 -10.409 12.305 124 1HB CYS 19 1HB CYS 19 -2.446 -10.288 13.015 125 2HB CYS 19 2HB CYS 19 -3.502 -9.363 14.049 126 H SER 20 H SER 20 -5.113 -11.421 10.653 127 HA SER 20 HA SER 20 -3.801 -14.021 10.421 128 1HB SER 20 1HB SER 20 -4.905 -13.668 7.954 129 2HB SER 20 2HB SER 20 -5.864 -12.457 8.816 130 HG SER 20 HG SER 20 -5.874 -15.180 9.005 131 H ARG 21 H ARG 21 -1.859 -12.802 10.857 132 HA ARG 21 HA ARG 21 0.257 -12.128 10.219 133 1HB ARG 21 1HB ARG 21 1.002 -12.496 7.995 134 2HB ARG 21 2HB ARG 21 -0.568 -12.181 7.289 135 1HG ARG 21 1HG ARG 21 -1.430 -14.280 7.925 136 2HG ARG 21 2HG ARG 21 -0.250 -14.499 9.204 137 1HD ARG 21 1HD ARG 21 1.527 -14.907 7.566 138 2HD ARG 21 2HD ARG 21 0.448 -14.492 6.231 139 HE ARG 21 HE ARG 21 -0.817 -16.559 7.655 140 1HH1 ARG 21 1HH1 ARG 21 2.240 -17.700 5.386 141 2HH1 ARG 21 2HH1 ARG 21 2.119 -16.047 5.888 142 1HH2 ARG 21 1HH2 ARG 21 -0.685 -18.653 7.037 143 2HH2 ARG 21 2HH2 ARG 21 0.628 -19.202 6.047 144 H GLY 22 H GLY 22 -2.379 -10.247 9.910 145 1HA GLY 22 1HA GLY 22 -0.957 -7.980 8.568 146 2HA GLY 22 2HA GLY 22 -1.410 -7.778 10.248 147 H LYS 23 H LYS 23 -3.878 -9.472 9.407 148 HA LYS 23 HA LYS 23 -5.553 -7.141 8.620 149 1HB LYS 23 1HB LYS 23 -6.837 -8.898 7.147 150 2HB LYS 23 2HB LYS 23 -5.391 -9.865 7.287 151 1HG LYS 23 1HG LYS 23 -4.168 -7.638 6.461 152 2HG LYS 23 2HG LYS 23 -5.765 -7.192 5.915 153 1HD LYS 23 1HD LYS 23 -4.769 -8.271 4.040 154 2HD LYS 23 2HD LYS 23 -5.831 -9.488 4.714 155 1HE LYS 23 1HE LYS 23 -3.071 -9.506 5.874 156 2HE LYS 23 2HE LYS 23 -3.137 -9.892 4.165 157 1HZ LYS 23 1HZ LYS 23 -3.900 -11.882 4.643 158 2HZ LYS 23 2HZ LYS 23 -5.205 -11.239 5.517 159 3HZ LYS 23 3HZ LYS 23 -3.728 -11.538 6.295 160 H CYS 24 H CYS 24 -7.354 -7.092 10.002 161 HA CYS 24 HA CYS 24 -7.443 -9.011 12.095 162 1HB CYS 24 1HB CYS 24 -9.581 -7.908 12.737 163 2HB CYS 24 2HB CYS 24 -9.592 -7.054 11.236 164 H VAL 25 H VAL 25 -8.632 -10.571 12.607 165 HA VAL 25 HA VAL 25 -10.785 -11.636 10.955 166 HB VAL 25 HB VAL 25 -9.511 -13.897 11.162 167 1HG1 VAL 25 1HG1 VAL 25 -8.572 -13.672 8.930 168 2HG1 VAL 25 2HG1 VAL 25 -8.371 -11.939 9.119 169 3HG1 VAL 25 3HG1 VAL 25 -9.982 -12.629 8.981 170 1HG2 VAL 25 1HG2 VAL 25 -7.635 -12.649 12.551 171 2HG2 VAL 25 2HG2 VAL 25 -7.000 -12.217 10.979 172 3HG2 VAL 25 3HG2 VAL 25 -7.168 -13.902 11.435 173 H SER 26 H SER 26 -12.020 -12.998 12.165 174 HA SER 26 HA SER 26 -12.282 -12.538 14.894 175 1HB SER 26 1HB SER 26 -13.157 -15.090 13.498 176 2HB SER 26 2HB SER 26 -14.090 -13.575 13.575 177 HG SER 26 HG SER 26 -13.464 -13.798 15.939 178 H ILE 27 H ILE 27 -11.645 -13.432 16.704 179 HA ILE 27 HA ILE 27 -9.130 -14.728 16.903 180 HB ILE 27 HB ILE 27 -10.211 -15.425 19.303 181 1HG1 ILE 27 1HG1 ILE 27 -11.851 -12.984 18.580 182 2HG1 ILE 27 2HG1 ILE 27 -11.759 -13.755 20.137 183 1HG2 ILE 27 1HG2 ILE 27 -9.415 -13.224 20.148 184 2HG2 ILE 27 2HG2 ILE 27 -9.415 -12.604 18.502 185 3HG2 ILE 27 3HG2 ILE 27 -8.302 -13.892 18.960 186 1HD1 ILE 27 1HD1 ILE 27 -12.534 -15.891 18.924 187 2HD1 ILE 27 2HD1 ILE 27 -13.067 -14.793 17.656 188 3HD1 ILE 27 3HD1 ILE 27 -13.711 -14.632 19.282 189 H TYR 28 H TYR 28 -12.223 -15.938 16.294 190 HA TYR 28 HA TYR 28 -11.630 -18.737 16.998 191 1HB TYR 28 1HB TYR 28 -13.923 -19.151 16.096 192 2HB TYR 28 2HB TYR 28 -14.019 -17.485 15.562 193 HD1 TYR 28 HD1 TYR 28 -12.815 -19.035 18.787 194 HD2 TYR 28 HD2 TYR 28 -15.555 -16.358 16.917 195 HE1 TYR 28 HE1 TYR 28 -13.653 -18.363 20.977 196 HE2 TYR 28 HE2 TYR 28 -16.393 -15.690 19.115 197 HH TYR 28 HH TYR 28 -15.308 -15.694 21.579 198 H GLY 29 H GLY 29 -12.265 -16.804 14.137 199 1HA GLY 29 1HA GLY 29 -11.589 -17.022 11.907 200 2HA GLY 29 2HA GLY 29 -11.951 -18.733 12.124 201 H GLU 30 H GLU 30 -9.558 -16.603 13.536 202 HA GLU 30 HA GLU 30 -7.366 -18.477 12.889 203 1HB GLU 30 1HB GLU 30 -6.854 -15.519 12.706 204 2HB GLU 30 2HB GLU 30 -7.749 -16.238 11.385 205 1HG GLU 30 1HG GLU 30 -5.592 -16.542 10.606 206 2HG GLU 30 2HG GLU 30 -5.821 -18.064 11.443 Start of MODEL 17 1 1H SER 1 1H SER 1 -10.664 5.572 16.602 2 2H SER 1 2H SER 1 -9.501 4.708 15.716 3 3H SER 1 3H SER 1 -9.572 4.548 17.406 4 HA SER 1 HA SER 1 -11.701 3.495 17.282 5 1HB SER 1 1HB SER 1 -12.576 4.652 15.241 6 2HB SER 1 2HB SER 1 -12.612 2.904 14.962 7 HG SER 1 HG SER 1 -10.462 4.626 14.287 8 H CYS 2 H CYS 2 -11.828 1.257 17.095 9 HA CYS 2 HA CYS 2 -9.285 -0.124 16.976 10 1HB CYS 2 1HB CYS 2 -11.183 -0.738 18.483 11 2HB CYS 2 2HB CYS 2 -10.522 -2.070 17.581 12 H SER 3 H SER 3 -8.813 -1.943 15.668 13 HA SER 3 HA SER 3 -9.462 -1.517 12.834 14 1HB SER 3 1HB SER 3 -7.286 -2.294 12.537 15 2HB SER 3 2HB SER 3 -7.613 -3.775 13.427 16 HG SER 3 HG SER 3 -7.424 -2.455 15.330 17 H GLY 4 H GLY 4 -11.364 -2.447 12.221 18 1HA GLY 4 1HA GLY 4 -13.160 -3.972 12.195 19 2HA GLY 4 2HA GLY 4 -12.363 -4.860 13.462 20 H ARG 5 H ARG 5 -13.394 -6.378 11.467 21 HA ARG 5 HA ARG 5 -11.474 -8.109 10.665 22 1HB ARG 5 1HB ARG 5 -13.205 -8.258 8.489 23 2HB ARG 5 2HB ARG 5 -14.182 -7.428 9.680 24 1HG ARG 5 1HG ARG 5 -13.728 -9.228 11.327 25 2HG ARG 5 2HG ARG 5 -12.681 -10.042 10.181 26 1HD ARG 5 1HD ARG 5 -15.507 -9.452 9.283 27 2HD ARG 5 2HD ARG 5 -15.264 -10.718 10.467 28 HE ARG 5 HE ARG 5 -13.993 -11.979 8.894 29 1HH1 ARG 5 1HH1 ARG 5 -13.904 -11.490 5.526 30 2HH1 ARG 5 2HH1 ARG 5 -13.590 -12.570 6.847 31 1HH2 ARG 5 1HH2 ARG 5 -15.067 -8.933 7.601 32 2HH2 ARG 5 2HH2 ARG 5 -14.758 -9.403 5.966 33 H ASP 6 H ASP 6 -9.865 -8.193 9.610 34 HA ASP 6 HA ASP 6 -8.308 -8.185 7.936 35 1HB ASP 6 1HB ASP 6 -9.835 -6.179 6.284 36 2HB ASP 6 2HB ASP 6 -10.448 -7.821 6.436 37 H SER 7 H SER 7 -8.995 -5.606 9.781 38 HA SER 7 HA SER 7 -7.229 -3.629 8.539 39 1HB SER 7 1HB SER 7 -7.755 -2.316 10.619 40 2HB SER 7 2HB SER 7 -8.489 -3.783 11.298 41 HG SER 7 HG SER 7 -10.008 -3.755 9.834 42 H ARG 8 H ARG 8 -5.280 -2.800 9.551 43 HA ARG 8 HA ARG 8 -3.334 -4.750 10.066 44 1HB ARG 8 1HB ARG 8 -2.915 -2.442 9.214 45 2HB ARG 8 2HB ARG 8 -1.822 -2.892 10.497 46 1HG ARG 8 1HG ARG 8 -4.332 -1.482 11.372 47 2HG ARG 8 2HG ARG 8 -3.224 -0.526 10.417 48 1HD ARG 8 1HD ARG 8 -2.113 -2.147 12.726 49 2HD ARG 8 2HD ARG 8 -2.903 -0.604 13.036 50 HE ARG 8 HE ARG 8 -0.994 -0.351 10.893 51 1HH1 ARG 8 1HH1 ARG 8 1.466 0.931 12.880 52 2HH1 ARG 8 2HH1 ARG 8 0.895 0.685 11.262 53 1HH2 ARG 8 1HH2 ARG 8 -1.277 -0.661 14.333 54 2HH2 ARG 8 2HH2 ARG 8 0.219 0.154 14.642 55 H CYS 9 H CYS 9 -2.643 -5.806 11.769 56 HA CYS 9 HA CYS 9 -2.838 -4.865 14.487 57 1HB CYS 9 1HB CYS 9 -4.974 -5.663 14.487 58 2HB CYS 9 2HB CYS 9 -4.150 -7.144 14.901 59 HA HYP 10 HA HYP 10 -3.191 -6.299 16.401 60 1HB HYP 10 1HB HYP 10 -3.512 -8.466 17.015 61 2HB HYP 10 2HB HYP 10 -2.399 -8.060 18.317 62 1HD HYP 10 1HD1 HYP 10 -0.622 -8.971 14.652 63 2HD HYP 10 2HD1 HYP 10 0.297 -7.966 15.801 64 HOD HYP 10 HD2 HYP 10 -1.431 -10.690 15.600 65 HG HYP 10 HG HYP 10 -0.685 -9.430 17.431 66 HA HYP 11 HA HYP 11 -3.469 -6.597 18.970 67 1HB HYP 11 1HB HYP 11 -2.424 -6.912 21.062 68 2HB HYP 11 2HB HYP 11 -3.243 -5.415 21.458 69 1HD HYP 11 1HD1 HYP 11 0.289 -4.954 19.247 70 2HD HYP 11 2HD1 HYP 11 -0.913 -3.651 19.304 71 HOD HYP 11 HD2 HYP 11 0.651 -5.774 21.277 72 HG HYP 11 HG HYP 11 -1.133 -4.370 21.607 73 H VAL 12 H VAL 12 -3.516 -4.770 17.140 74 HA VAL 12 HA VAL 12 -4.684 -2.279 18.131 75 HB VAL 12 HB VAL 12 -4.491 -3.051 15.232 76 1HG1 VAL 12 1HG1 VAL 12 -4.478 -0.686 14.831 77 2HG1 VAL 12 2HG1 VAL 12 -4.004 -0.312 16.479 78 3HG1 VAL 12 3HG1 VAL 12 -5.634 -0.849 16.137 79 1HG2 VAL 12 1HG2 VAL 12 -2.236 -1.939 16.964 80 2HG2 VAL 12 2HG2 VAL 12 -2.195 -2.036 15.210 81 3HG2 VAL 12 3HG2 VAL 12 -2.244 -3.501 16.166 82 H CYS 13 H CYS 13 -5.770 -5.140 16.409 83 HA CYS 13 HA CYS 13 -8.235 -4.222 15.522 84 1HB CYS 13 1HB CYS 13 -8.979 -6.557 15.620 85 2HB CYS 13 2HB CYS 13 -7.561 -6.966 16.549 86 H CYS 14 H CYS 14 -10.220 -4.925 16.021 87 HA CYS 14 HA CYS 14 -11.258 -3.859 18.443 88 1HB CYS 14 1HB CYS 14 -13.458 -4.620 17.388 89 2HB CYS 14 2HB CYS 14 -12.507 -5.518 16.271 90 H MET 15 H MET 15 -12.857 -5.055 19.790 91 HA MET 15 HA MET 15 -11.570 -7.237 21.096 92 1HB MET 15 1HB MET 15 -14.513 -6.596 21.505 93 2HB MET 15 2HB MET 15 -13.298 -5.434 21.989 94 1HG MET 15 1HG MET 15 -12.647 -6.653 23.765 95 2HG MET 15 2HG MET 15 -12.635 -8.154 22.888 96 1HE MET 15 1HE MET 15 -15.120 -9.168 22.084 97 2HE MET 15 2HE MET 15 -15.876 -9.827 23.521 98 3HE MET 15 3HE MET 15 -14.149 -10.047 23.291 99 H GLY 16 H GLY 16 -11.407 -9.179 20.196 100 1HA GLY 16 1HA GLY 16 -13.773 -10.405 18.834 101 2HA GLY 16 2HA GLY 16 -12.645 -11.302 19.855 102 H LEU 17 H LEU 17 -11.296 -8.800 17.962 103 HA LEU 17 HA LEU 17 -10.417 -10.641 15.811 104 1HB LEU 17 1HB LEU 17 -9.735 -8.330 14.812 105 2HB LEU 17 2HB LEU 17 -10.734 -7.668 16.070 106 HG LEU 17 HG LEU 17 -12.627 -9.169 15.246 107 1HD1 LEU 17 1HD1 LEU 17 -11.464 -6.815 13.732 108 2HD1 LEU 17 2HD1 LEU 17 -12.854 -6.833 14.807 109 3HD1 LEU 17 3HD1 LEU 17 -12.981 -7.524 13.208 110 1HD2 LEU 17 1HD2 LEU 17 -12.263 -10.508 13.413 111 2HD2 LEU 17 2HD2 LEU 17 -10.567 -10.046 13.476 112 3HD2 LEU 17 3HD2 LEU 17 -11.677 -9.147 12.478 113 H MET 18 H MET 18 -8.316 -10.894 15.331 114 HA MET 18 HA MET 18 -6.182 -9.660 17.021 115 1HB MET 18 1HB MET 18 -6.634 -12.000 17.831 116 2HB MET 18 2HB MET 18 -5.058 -11.903 17.080 117 1HG MET 18 1HG MET 18 -6.715 -12.540 14.943 118 2HG MET 18 2HG MET 18 -7.442 -13.399 16.256 119 1HE MET 18 1HE MET 18 -6.843 -15.944 16.570 120 2HE MET 18 2HE MET 18 -6.115 -14.924 17.835 121 3HE MET 18 3HE MET 18 -5.182 -16.205 17.100 122 H CYS 19 H CYS 19 -4.626 -11.769 15.020 123 HA CYS 19 HA CYS 19 -5.042 -10.322 12.487 124 1HB CYS 19 1HB CYS 19 -2.245 -10.063 13.243 125 2HB CYS 19 2HB CYS 19 -3.340 -9.178 14.270 126 H SER 20 H SER 20 -4.851 -11.484 10.917 127 HA SER 20 HA SER 20 -3.302 -13.971 10.899 128 1HB SER 20 1HB SER 20 -4.526 -13.991 8.464 129 2HB SER 20 2HB SER 20 -5.579 -12.807 9.250 130 HG SER 20 HG SER 20 -4.908 -15.417 10.116 131 H ARG 21 H ARG 21 -1.467 -12.606 11.107 132 HA ARG 21 HA ARG 21 0.575 -11.942 10.293 133 1HB ARG 21 1HB ARG 21 -0.555 -11.973 7.456 134 2HB ARG 21 2HB ARG 21 -0.089 -13.447 8.290 135 1HG ARG 21 1HG ARG 21 2.152 -12.202 8.745 136 2HG ARG 21 2HG ARG 21 1.607 -11.081 7.507 137 1HD ARG 21 1HD ARG 21 1.341 -13.027 5.911 138 2HD ARG 21 2HD ARG 21 2.055 -14.076 7.138 139 HE ARG 21 HE ARG 21 3.840 -11.937 6.831 140 1HH1 ARG 21 1HH1 ARG 21 5.643 -13.163 4.204 141 2HH1 ARG 21 2HH1 ARG 21 5.595 -12.043 5.525 142 1HH2 ARG 21 1HH2 ARG 21 2.463 -14.438 4.866 143 2HH2 ARG 21 2HH2 ARG 21 3.845 -14.540 3.829 144 H GLY 22 H GLY 22 -2.204 -10.161 9.996 145 1HA GLY 22 1HA GLY 22 -0.856 -7.766 8.833 146 2HA GLY 22 2HA GLY 22 -1.364 -7.659 10.509 147 H LYS 23 H LYS 23 -3.685 -9.460 9.620 148 HA LYS 23 HA LYS 23 -5.502 -7.255 8.790 149 1HB LYS 23 1HB LYS 23 -6.652 -9.100 7.329 150 2HB LYS 23 2HB LYS 23 -5.161 -9.990 7.516 151 1HG LYS 23 1HG LYS 23 -4.008 -7.783 6.638 152 2HG LYS 23 2HG LYS 23 -5.614 -7.333 6.125 153 1HD LYS 23 1HD LYS 23 -4.662 -8.402 4.221 154 2HD LYS 23 2HD LYS 23 -5.709 -9.624 4.911 155 1HE LYS 23 1HE LYS 23 -2.885 -9.619 5.947 156 2HE LYS 23 2HE LYS 23 -3.089 -10.092 4.269 157 1HZ LYS 23 1HZ LYS 23 -3.575 -11.612 6.540 158 2HZ LYS 23 2HZ LYS 23 -3.802 -12.044 4.915 159 3HZ LYS 23 3HZ LYS 23 -5.073 -11.338 5.792 160 H CYS 24 H CYS 24 -7.264 -7.287 10.177 161 HA CYS 24 HA CYS 24 -7.292 -9.125 12.326 162 1HB CYS 24 1HB CYS 24 -9.433 -8.135 12.936 163 2HB CYS 24 2HB CYS 24 -9.639 -7.479 11.357 164 H VAL 25 H VAL 25 -8.393 -10.726 12.903 165 HA VAL 25 HA VAL 25 -10.466 -12.023 11.319 166 HB VAL 25 HB VAL 25 -9.077 -14.196 11.711 167 1HG1 VAL 25 1HG1 VAL 25 -8.093 -14.081 9.467 168 2HG1 VAL 25 2HG1 VAL 25 -8.122 -12.327 9.501 169 3HG1 VAL 25 3HG1 VAL 25 -9.628 -13.232 9.443 170 1HG2 VAL 25 1HG2 VAL 25 -6.611 -12.542 11.305 171 2HG2 VAL 25 2HG2 VAL 25 -6.796 -14.105 12.093 172 3HG2 VAL 25 3HG2 VAL 25 -7.251 -12.639 12.926 173 H SER 26 H SER 26 -11.597 -13.372 12.650 174 HA SER 26 HA SER 26 -11.814 -12.714 15.370 175 1HB SER 26 1HB SER 26 -13.446 -13.988 13.604 176 2HB SER 26 2HB SER 26 -13.674 -14.152 15.345 177 HG SER 26 HG SER 26 -11.903 -15.814 13.921 178 H ILE 27 H ILE 27 -11.116 -13.633 17.179 179 HA ILE 27 HA ILE 27 -8.607 -14.802 17.397 180 HB ILE 27 HB ILE 27 -9.772 -15.769 19.684 181 1HG1 ILE 27 1HG1 ILE 27 -11.468 -13.314 19.126 182 2HG1 ILE 27 2HG1 ILE 27 -11.488 -14.336 20.534 183 1HG2 ILE 27 1HG2 ILE 27 -7.937 -14.114 19.554 184 2HG2 ILE 27 2HG2 ILE 27 -9.158 -13.575 20.703 185 3HG2 ILE 27 3HG2 ILE 27 -9.090 -12.864 19.098 186 1HD1 ILE 27 1HD1 ILE 27 -13.313 -15.121 19.418 187 2HD1 ILE 27 2HD1 ILE 27 -12.082 -16.241 18.849 188 3HD1 ILE 27 3HD1 ILE 27 -12.612 -14.908 17.824 189 H TYR 28 H TYR 28 -11.495 -16.252 16.493 190 HA TYR 28 HA TYR 28 -10.792 -19.024 17.115 191 1HB TYR 28 1HB TYR 28 -12.848 -19.580 15.907 192 2HB TYR 28 2HB TYR 28 -12.922 -17.988 15.186 193 HD1 TYR 28 HD1 TYR 28 -14.563 -16.601 16.141 194 HD2 TYR 28 HD2 TYR 28 -12.548 -19.385 18.663 195 HE1 TYR 28 HE1 TYR 28 -15.868 -15.820 18.054 196 HE2 TYR 28 HE2 TYR 28 -13.854 -18.598 20.572 197 HH TYR 28 HH TYR 28 -15.148 -16.118 21.025 198 H GLY 29 H GLY 29 -11.241 -17.145 14.160 199 1HA GLY 29 1HA GLY 29 -9.567 -19.004 12.627 200 2HA GLY 29 2HA GLY 29 -9.027 -17.332 12.719 201 H GLU 30 H GLU 30 -12.065 -16.657 12.754 202 HA GLU 30 HA GLU 30 -12.798 -17.262 9.959 203 1HB GLU 30 1HB GLU 30 -14.948 -16.098 10.693 204 2HB GLU 30 2HB GLU 30 -14.256 -16.012 12.297 205 1HG GLU 30 1HG GLU 30 -13.826 -18.660 11.823 206 2HG GLU 30 2HG GLU 30 -15.186 -18.415 10.742 Start of MODEL 18 1 1H SER 1 1H SER 1 -10.333 5.660 17.670 2 2H SER 1 2H SER 1 -9.271 4.750 16.704 3 3H SER 1 3H SER 1 -9.294 4.524 18.388 4 HA SER 1 HA SER 1 -11.419 3.551 18.343 5 1HB SER 1 1HB SER 1 -12.454 5.008 16.591 6 2HB SER 1 2HB SER 1 -12.652 3.316 16.113 7 HG SER 1 HG SER 1 -10.852 3.494 14.818 8 H CYS 2 H CYS 2 -11.581 1.364 18.098 9 HA CYS 2 HA CYS 2 -9.221 -0.116 17.446 10 1HB CYS 2 1HB CYS 2 -11.091 -0.797 19.017 11 2HB CYS 2 2HB CYS 2 -10.469 -2.039 17.971 12 H SER 3 H SER 3 -8.947 -1.750 15.852 13 HA SER 3 HA SER 3 -9.985 -0.953 13.216 14 1HB SER 3 1HB SER 3 -7.922 -2.913 13.012 15 2HB SER 3 2HB SER 3 -7.465 -1.887 14.353 16 HG SER 3 HG SER 3 -7.925 -0.066 13.082 17 H GLY 4 H GLY 4 -11.643 -2.065 12.382 18 1HA GLY 4 1HA GLY 4 -13.295 -3.729 12.259 19 2HA GLY 4 2HA GLY 4 -12.436 -4.606 13.488 20 H ARG 5 H ARG 5 -13.391 -5.988 11.369 21 HA ARG 5 HA ARG 5 -11.430 -7.648 10.524 22 1HB ARG 5 1HB ARG 5 -13.067 -7.925 8.397 23 2HB ARG 5 2HB ARG 5 -14.086 -6.886 9.378 24 1HG ARG 5 1HG ARG 5 -13.517 -8.527 11.324 25 2HG ARG 5 2HG ARG 5 -12.942 -9.614 10.075 26 1HD ARG 5 1HD ARG 5 -15.245 -9.401 8.985 27 2HD ARG 5 2HD ARG 5 -15.771 -8.525 10.421 28 HE ARG 5 HE ARG 5 -15.349 -11.379 10.218 29 1HH1 ARG 5 1HH1 ARG 5 -15.349 -9.643 13.792 30 2HH1 ARG 5 2HH1 ARG 5 -15.144 -8.670 12.376 31 1HH2 ARG 5 1HH2 ARG 5 -15.611 -12.620 11.993 32 2HH2 ARG 5 2HH2 ARG 5 -15.611 -11.916 13.574 33 H ASP 6 H ASP 6 -9.896 -7.800 9.364 34 HA ASP 6 HA ASP 6 -8.396 -7.745 7.622 35 1HB ASP 6 1HB ASP 6 -9.626 -5.436 6.172 36 2HB ASP 6 2HB ASP 6 -10.609 -6.884 6.312 37 H SER 7 H SER 7 -8.796 -5.306 9.760 38 HA SER 7 HA SER 7 -6.889 -3.405 8.608 39 1HB SER 7 1HB SER 7 -6.932 -2.761 11.258 40 2HB SER 7 2HB SER 7 -8.471 -3.611 11.130 41 HG SER 7 HG SER 7 -8.254 -1.321 10.612 42 H ARG 8 H ARG 8 -4.877 -2.816 9.567 43 HA ARG 8 HA ARG 8 -3.081 -4.984 9.881 44 1HB ARG 8 1HB ARG 8 -1.406 -3.170 10.483 45 2HB ARG 8 2HB ARG 8 -2.732 -2.034 10.618 46 1HG ARG 8 1HG ARG 8 -1.729 -1.752 8.431 47 2HG ARG 8 2HG ARG 8 -3.309 -2.463 8.200 48 1HD ARG 8 1HD ARG 8 -1.218 -4.536 8.539 49 2HD ARG 8 2HD ARG 8 -0.881 -3.454 7.194 50 HE ARG 8 HE ARG 8 -3.649 -4.364 7.221 51 1HH1 ARG 8 1HH1 ARG 8 -3.142 -6.553 4.667 52 2HH1 ARG 8 2HH1 ARG 8 -4.302 -5.727 5.653 53 1HH2 ARG 8 1HH2 ARG 8 -0.396 -5.156 6.308 54 2HH2 ARG 8 2HH2 ARG 8 -0.899 -6.236 5.053 55 H CYS 9 H CYS 9 -2.457 -6.096 11.656 56 HA CYS 9 HA CYS 9 -2.655 -5.019 14.330 57 1HB CYS 9 1HB CYS 9 -4.867 -5.654 14.292 58 2HB CYS 9 2HB CYS 9 -4.167 -7.165 14.796 59 HA HYP 10 HA HYP 10 -3.212 -6.254 16.284 60 1HB HYP 10 1HB HYP 10 -3.619 -8.246 17.282 61 2HB HYP 10 2HB HYP 10 -2.374 -7.762 18.426 62 1HD HYP 10 1HD1 HYP 10 -0.815 -9.243 14.872 63 2HD HYP 10 2HD1 HYP 10 0.184 -8.211 15.921 64 HOD HYP 10 HD2 HYP 10 -3.166 -9.728 15.965 65 HG HYP 10 HG HYP 10 -0.918 -9.454 17.659 66 HA HYP 11 HA HYP 11 -3.447 -6.253 18.928 67 1HB HYP 11 1HB HYP 11 -2.336 -6.316 20.995 68 2HB HYP 11 2HB HYP 11 -3.158 -4.789 21.246 69 1HD HYP 11 1HD1 HYP 11 0.310 -4.587 18.897 70 2HD HYP 11 2HD1 HYP 11 -0.895 -3.288 18.823 71 HOD HYP 11 HD2 HYP 11 -0.332 -5.742 21.946 72 HG HYP 11 HG HYP 11 -1.061 -3.714 21.200 73 H VAL 12 H VAL 12 -3.528 -4.600 16.893 74 HA VAL 12 HA VAL 12 -4.771 -2.062 17.670 75 HB VAL 12 HB VAL 12 -4.570 -3.103 14.867 76 1HG1 VAL 12 1HG1 VAL 12 -4.556 -0.734 14.252 77 2HG1 VAL 12 2HG1 VAL 12 -4.343 -0.242 15.924 78 3HG1 VAL 12 3HG1 VAL 12 -5.860 -0.936 15.400 79 1HG2 VAL 12 1HG2 VAL 12 -2.290 -3.326 15.769 80 2HG2 VAL 12 2HG2 VAL 12 -2.380 -1.731 16.499 81 3HG2 VAL 12 3HG2 VAL 12 -2.323 -1.899 14.751 82 H CYS 13 H CYS 13 -5.767 -5.128 16.314 83 HA CYS 13 HA CYS 13 -8.279 -4.328 15.375 84 1HB CYS 13 1HB CYS 13 -8.904 -6.695 15.586 85 2HB CYS 13 2HB CYS 13 -7.432 -6.988 16.470 86 H CYS 14 H CYS 14 -10.260 -4.926 15.971 87 HA CYS 14 HA CYS 14 -11.146 -3.918 18.489 88 1HB CYS 14 1HB CYS 14 -13.436 -4.574 17.441 89 2HB CYS 14 2HB CYS 14 -12.501 -5.276 16.180 90 H MET 15 H MET 15 -12.866 -5.107 19.735 91 HA MET 15 HA MET 15 -11.704 -7.424 20.930 92 1HB MET 15 1HB MET 15 -14.043 -7.439 22.137 93 2HB MET 15 2HB MET 15 -14.331 -5.944 21.266 94 1HG MET 15 1HG MET 15 -12.469 -4.870 22.299 95 2HG MET 15 2HG MET 15 -11.809 -6.376 22.872 96 1HE MET 15 1HE MET 15 -13.677 -3.240 23.793 97 2HE MET 15 2HE MET 15 -14.976 -3.789 24.842 98 3HE MET 15 3HE MET 15 -15.034 -4.189 23.138 99 H GLY 16 H GLY 16 -11.622 -9.263 19.907 100 1HA GLY 16 1HA GLY 16 -14.039 -10.340 18.492 101 2HA GLY 16 2HA GLY 16 -12.945 -11.331 19.462 102 H LEU 17 H LEU 17 -11.457 -8.803 17.733 103 HA LEU 17 HA LEU 17 -10.653 -10.572 15.497 104 1HB LEU 17 1HB LEU 17 -9.872 -8.264 14.595 105 2HB LEU 17 2HB LEU 17 -10.835 -7.591 15.878 106 HG LEU 17 HG LEU 17 -12.799 -8.973 14.974 107 1HD1 LEU 17 1HD1 LEU 17 -13.092 -7.202 13.055 108 2HD1 LEU 17 2HD1 LEU 17 -11.512 -6.616 13.547 109 3HD1 LEU 17 3HD1 LEU 17 -12.859 -6.579 14.671 110 1HD2 LEU 17 1HD2 LEU 17 -12.606 -10.034 12.922 111 2HD2 LEU 17 2HD2 LEU 17 -10.893 -10.043 13.313 112 3HD2 LEU 17 3HD2 LEU 17 -11.537 -8.803 12.274 113 H MET 18 H MET 18 -8.553 -10.964 15.120 114 HA MET 18 HA MET 18 -6.431 -9.785 16.878 115 1HB MET 18 1HB MET 18 -6.975 -12.145 17.614 116 2HB MET 18 2HB MET 18 -5.365 -12.046 16.943 117 1HG MET 18 1HG MET 18 -6.946 -12.631 14.717 118 2HG MET 18 2HG MET 18 -7.694 -13.530 15.995 119 1HE MET 18 1HE MET 18 -6.341 -15.029 17.618 120 2HE MET 18 2HE MET 18 -5.408 -16.303 16.869 121 3HE MET 18 3HE MET 18 -7.068 -16.036 16.344 122 H CYS 19 H CYS 19 -4.849 -11.851 14.884 123 HA CYS 19 HA CYS 19 -5.224 -10.313 12.393 124 1HB CYS 19 1HB CYS 19 -2.416 -10.261 13.224 125 2HB CYS 19 2HB CYS 19 -3.502 -9.299 14.189 126 H SER 20 H SER 20 -5.105 -11.409 10.780 127 HA SER 20 HA SER 20 -3.832 -14.026 10.614 128 1HB SER 20 1HB SER 20 -4.822 -13.673 8.095 129 2HB SER 20 2HB SER 20 -5.768 -12.415 8.902 130 HG SER 20 HG SER 20 -5.474 -14.996 9.995 131 H ARG 21 H ARG 21 -1.858 -12.791 11.109 132 HA ARG 21 HA ARG 21 0.282 -12.153 10.506 133 1HB ARG 21 1HB ARG 21 1.092 -12.658 8.311 134 2HB ARG 21 2HB ARG 21 -0.472 -12.416 7.561 135 1HG ARG 21 1HG ARG 21 -1.344 -14.456 8.506 136 2HG ARG 21 2HG ARG 21 0.016 -14.617 9.600 137 1HD ARG 21 1HD ARG 21 1.470 -15.325 7.866 138 2HD ARG 21 2HD ARG 21 0.495 -14.578 6.600 139 HE ARG 21 HE ARG 21 -1.111 -16.546 7.835 140 1HH1 ARG 21 1HH1 ARG 21 1.599 -17.864 5.244 141 2HH1 ARG 21 2HH1 ARG 21 1.795 -16.302 5.965 142 1HH2 ARG 21 1HH2 ARG 21 -1.385 -18.522 6.934 143 2HH2 ARG 21 2HH2 ARG 21 -0.232 -19.143 5.801 144 H GLY 22 H GLY 22 -2.349 -10.331 10.023 145 1HA GLY 22 1HA GLY 22 -0.993 -8.141 8.527 146 2HA GLY 22 2HA GLY 22 -1.368 -7.834 10.212 147 H LYS 23 H LYS 23 -3.882 -9.628 9.496 148 HA LYS 23 HA LYS 23 -5.553 -7.294 8.689 149 1HB LYS 23 1HB LYS 23 -6.897 -9.040 7.288 150 2HB LYS 23 2HB LYS 23 -5.472 -10.051 7.421 151 1HG LYS 23 1HG LYS 23 -4.098 -8.252 6.392 152 2HG LYS 23 2HG LYS 23 -5.523 -7.235 6.268 153 1HD LYS 23 1HD LYS 23 -6.595 -9.041 4.833 154 2HD LYS 23 2HD LYS 23 -5.080 -9.921 4.888 155 1HE LYS 23 1HE LYS 23 -3.916 -8.207 3.680 156 2HE LYS 23 2HE LYS 23 -5.220 -7.047 3.901 157 1HZ LYS 23 1HZ LYS 23 -5.274 -7.940 1.704 158 2HZ LYS 23 2HZ LYS 23 -6.643 -8.471 2.559 159 3HZ LYS 23 3HZ LYS 23 -5.340 -9.530 2.298 160 H CYS 24 H CYS 24 -7.301 -7.147 10.071 161 HA CYS 24 HA CYS 24 -7.488 -8.947 12.254 162 1HB CYS 24 1HB CYS 24 -9.632 -7.753 12.766 163 2HB CYS 24 2HB CYS 24 -9.607 -7.052 11.189 164 H VAL 25 H VAL 25 -8.530 -10.631 12.705 165 HA VAL 25 HA VAL 25 -10.713 -11.687 11.058 166 HB VAL 25 HB VAL 25 -9.451 -13.932 11.201 167 1HG1 VAL 25 1HG1 VAL 25 -9.842 -12.560 9.070 168 2HG1 VAL 25 2HG1 VAL 25 -8.435 -13.603 9.007 169 3HG1 VAL 25 3HG1 VAL 25 -8.239 -11.881 9.291 170 1HG2 VAL 25 1HG2 VAL 25 -7.593 -12.649 12.678 171 2HG2 VAL 25 2HG2 VAL 25 -6.890 -12.360 11.107 172 3HG2 VAL 25 3HG2 VAL 25 -7.161 -14.001 11.665 173 H SER 26 H SER 26 -11.953 -13.070 12.185 174 HA SER 26 HA SER 26 -12.280 -12.726 14.944 175 1HB SER 26 1HB SER 26 -13.177 -15.096 13.261 176 2HB SER 26 2HB SER 26 -14.126 -13.633 13.619 177 HG SER 26 HG SER 26 -13.279 -15.696 15.333 178 H ILE 27 H ILE 27 -11.506 -13.595 16.641 179 HA ILE 27 HA ILE 27 -9.073 -15.012 16.746 180 HB ILE 27 HB ILE 27 -10.069 -15.679 19.174 181 1HG1 ILE 27 1HG1 ILE 27 -11.663 -13.152 18.701 182 2HG1 ILE 27 2HG1 ILE 27 -11.620 -14.165 20.111 183 1HG2 ILE 27 1HG2 ILE 27 -8.163 -14.162 18.784 184 2HG2 ILE 27 2HG2 ILE 27 -9.241 -13.447 19.975 185 3HG2 ILE 27 3HG2 ILE 27 -9.268 -12.873 18.316 186 1HD1 ILE 27 1HD1 ILE 27 -13.618 -14.787 19.151 187 2HD1 ILE 27 2HD1 ILE 27 -12.515 -16.030 18.581 188 3HD1 ILE 27 3HD1 ILE 27 -13.000 -14.719 17.512 189 H TYR 28 H TYR 28 -12.219 -16.155 16.237 190 HA TYR 28 HA TYR 28 -11.619 -18.972 16.881 191 1HB TYR 28 1HB TYR 28 -13.964 -19.370 16.201 192 2HB TYR 28 2HB TYR 28 -14.107 -17.727 15.620 193 HD1 TYR 28 HD1 TYR 28 -15.614 -16.621 17.006 194 HD2 TYR 28 HD2 TYR 28 -12.662 -19.102 18.828 195 HE1 TYR 28 HE1 TYR 28 -16.350 -15.881 19.217 196 HE2 TYR 28 HE2 TYR 28 -13.402 -18.356 21.033 197 HH TYR 28 HH TYR 28 -14.653 -16.099 21.891 198 H GLY 29 H GLY 29 -12.538 -17.005 14.124 199 1HA GLY 29 1HA GLY 29 -12.123 -17.186 11.840 200 2HA GLY 29 2HA GLY 29 -12.402 -18.904 12.068 201 H GLU 30 H GLU 30 -9.863 -16.675 13.067 202 HA GLU 30 HA GLU 30 -7.742 -18.552 12.538 203 1HB GLU 30 1HB GLU 30 -7.341 -16.032 10.960 204 2HB GLU 30 2HB GLU 30 -8.574 -17.097 10.332 205 1HG GLU 30 1HG GLU 30 -6.520 -17.765 9.323 206 2HG GLU 30 2HG GLU 30 -6.945 -19.003 10.501 Start of MODEL 19 1 1H SER 1 1H SER 1 -12.835 4.333 16.130 2 2H SER 1 2H SER 1 -12.822 2.634 16.076 3 3H SER 1 3H SER 1 -11.524 3.512 15.424 4 HA SER 1 HA SER 1 -10.814 4.229 17.506 5 1HB SER 1 1HB SER 1 -12.144 3.424 19.591 6 2HB SER 1 2HB SER 1 -13.414 2.941 18.448 7 HG SER 1 HG SER 1 -13.877 5.018 18.904 8 H CYS 2 H CYS 2 -11.419 1.654 15.948 9 HA CYS 2 HA CYS 2 -9.232 0.062 17.066 10 1HB CYS 2 1HB CYS 2 -11.179 -0.634 18.486 11 2HB CYS 2 2HB CYS 2 -10.510 -1.935 17.547 12 H SER 3 H SER 3 -8.565 -1.631 15.716 13 HA SER 3 HA SER 3 -9.125 -1.179 12.882 14 1HB SER 3 1HB SER 3 -7.272 -3.232 12.936 15 2HB SER 3 2HB SER 3 -7.051 -2.590 14.554 16 HG SER 3 HG SER 3 -6.721 -0.582 13.743 17 H GLY 4 H GLY 4 -11.193 -1.939 12.459 18 1HA GLY 4 1HA GLY 4 -12.955 -3.464 12.214 19 2HA GLY 4 2HA GLY 4 -12.182 -4.435 13.438 20 H ARG 5 H ARG 5 -13.165 -5.938 11.568 21 HA ARG 5 HA ARG 5 -11.248 -7.600 10.606 22 1HB ARG 5 1HB ARG 5 -13.029 -8.112 8.707 23 2HB ARG 5 2HB ARG 5 -13.992 -6.913 9.547 24 1HG ARG 5 1HG ARG 5 -13.536 -8.256 11.702 25 2HG ARG 5 2HG ARG 5 -12.875 -9.514 10.668 26 1HD ARG 5 1HD ARG 5 -15.065 -9.666 9.480 27 2HD ARG 5 2HD ARG 5 -15.706 -8.411 10.539 28 HE ARG 5 HE ARG 5 -14.554 -10.720 11.953 29 1HH1 ARG 5 1HH1 ARG 5 -17.547 -11.786 13.058 30 2HH1 ARG 5 2HH1 ARG 5 -15.817 -11.904 13.151 31 1HH2 ARG 5 1HH2 ARG 5 -17.415 -9.308 10.577 32 2HH2 ARG 5 2HH2 ARG 5 -18.465 -10.276 11.557 33 H ASP 6 H ASP 6 -9.726 -7.622 9.342 34 HA ASP 6 HA ASP 6 -8.482 -7.528 7.365 35 1HB ASP 6 1HB ASP 6 -10.108 -5.149 6.407 36 2HB ASP 6 2HB ASP 6 -10.672 -6.800 6.173 37 H SER 7 H SER 7 -8.860 -5.055 9.607 38 HA SER 7 HA SER 7 -6.894 -3.203 8.498 39 1HB SER 7 1HB SER 7 -7.184 -2.103 10.803 40 2HB SER 7 2HB SER 7 -8.266 -3.452 11.189 41 HG SER 7 HG SER 7 -9.685 -2.748 9.877 42 H ARG 8 H ARG 8 -4.892 -2.634 9.471 43 HA ARG 8 HA ARG 8 -3.137 -4.800 9.934 44 1HB ARG 8 1HB ARG 8 -2.437 -2.629 8.998 45 2HB ARG 8 2HB ARG 8 -1.440 -3.064 10.362 46 1HG ARG 8 1HG ARG 8 -3.863 -1.436 11.038 47 2HG ARG 8 2HG ARG 8 -2.698 -0.621 10.028 48 1HD ARG 8 1HD ARG 8 -1.013 -0.688 11.650 49 2HD ARG 8 2HD ARG 8 -1.705 -2.078 12.488 50 HE ARG 8 HE ARG 8 -3.672 -0.317 12.876 51 1HH1 ARG 8 1HH1 ARG 8 -0.390 1.410 14.297 52 2HH1 ARG 8 2HH1 ARG 8 -0.233 0.159 13.111 53 1HH2 ARG 8 1HH2 ARG 8 -3.871 1.236 14.357 54 2HH2 ARG 8 2HH2 ARG 8 -2.483 2.038 15.022 55 H CYS 9 H CYS 9 -2.454 -5.806 11.687 56 HA CYS 9 HA CYS 9 -2.637 -4.771 14.373 57 1HB CYS 9 1HB CYS 9 -4.803 -5.499 14.410 58 2HB CYS 9 2HB CYS 9 -4.043 -7.018 14.803 59 HA HYP 10 HA HYP 10 -3.106 -6.145 16.313 60 1HB HYP 10 1HB HYP 10 -3.457 -8.241 17.123 61 2HB HYP 10 2HB HYP 10 -2.271 -7.787 18.340 62 1HD HYP 10 1HD1 HYP 10 -0.614 -8.955 14.703 63 2HD HYP 10 2HD1 HYP 10 0.348 -7.945 15.809 64 HOD HYP 10 HD2 HYP 10 -2.942 -9.664 15.830 65 HG HYP 10 HG HYP 10 -0.687 -9.314 17.486 66 HA HYP 11 HA HYP 11 -3.350 -6.304 18.924 67 1HB HYP 11 1HB HYP 11 -2.255 -6.487 21.001 68 2HB HYP 11 2HB HYP 11 -3.095 -4.985 21.336 69 1HD HYP 11 1HD1 HYP 11 0.399 -4.632 19.043 70 2HD HYP 11 2HD1 HYP 11 -0.802 -3.327 19.030 71 HOD HYP 11 HD2 HYP 11 -0.106 -5.768 22.067 72 HG HYP 11 HG HYP 11 -1.006 -3.887 21.373 73 H VAL 12 H VAL 12 -3.461 -4.585 16.990 74 HA VAL 12 HA VAL 12 -4.645 -2.059 17.863 75 HB VAL 12 HB VAL 12 -4.466 -3.014 15.020 76 1HG1 VAL 12 1HG1 VAL 12 -4.201 -0.169 16.072 77 2HG1 VAL 12 2HG1 VAL 12 -5.774 -0.855 15.720 78 3HG1 VAL 12 3HG1 VAL 12 -4.597 -0.695 14.444 79 1HG2 VAL 12 1HG2 VAL 12 -2.295 -1.597 16.646 80 2HG2 VAL 12 2HG2 VAL 12 -2.234 -1.856 14.911 81 3HG2 VAL 12 3HG2 VAL 12 -2.181 -3.225 15.999 82 H CYS 13 H CYS 13 -5.781 -5.018 16.321 83 HA CYS 13 HA CYS 13 -8.254 -4.024 15.495 84 1HB CYS 13 1HB CYS 13 -8.999 -6.225 15.327 85 2HB CYS 13 2HB CYS 13 -7.833 -6.823 16.485 86 H CYS 14 H CYS 14 -10.235 -4.745 15.954 87 HA CYS 14 HA CYS 14 -11.248 -3.747 18.424 88 1HB CYS 14 1HB CYS 14 -13.444 -4.266 17.376 89 2HB CYS 14 2HB CYS 14 -12.661 -5.307 16.246 90 H MET 15 H MET 15 -12.971 -4.997 19.612 91 HA MET 15 HA MET 15 -11.773 -7.190 20.946 92 1HB MET 15 1HB MET 15 -14.185 -7.366 21.953 93 2HB MET 15 2HB MET 15 -14.547 -5.966 20.963 94 1HG MET 15 1HG MET 15 -12.035 -5.556 22.377 95 2HG MET 15 2HG MET 15 -13.278 -6.029 23.491 96 1HE MET 15 1HE MET 15 -11.613 -3.566 21.445 97 2HE MET 15 2HE MET 15 -12.504 -2.073 21.586 98 3HE MET 15 3HE MET 15 -13.004 -3.264 20.384 99 H GLY 16 H GLY 16 -11.471 -9.087 20.128 100 1HA GLY 16 1HA GLY 16 -13.639 -10.496 18.618 101 2HA GLY 16 2HA GLY 16 -12.446 -11.276 19.652 102 H LEU 17 H LEU 17 -11.261 -8.672 17.786 103 HA LEU 17 HA LEU 17 -10.353 -10.424 15.588 104 1HB LEU 17 1HB LEU 17 -9.549 -8.128 14.718 105 2HB LEU 17 2HB LEU 17 -10.483 -7.468 16.030 106 HG LEU 17 HG LEU 17 -12.499 -8.699 15.142 107 1HD1 LEU 17 1HD1 LEU 17 -12.962 -6.853 13.606 108 2HD1 LEU 17 2HD1 LEU 17 -11.273 -6.755 13.142 109 3HD1 LEU 17 3HD1 LEU 17 -11.763 -6.200 14.711 110 1HD2 LEU 17 1HD2 LEU 17 -10.576 -9.848 13.436 111 2HD2 LEU 17 2HD2 LEU 17 -11.468 -8.780 12.392 112 3HD2 LEU 17 3HD2 LEU 17 -12.318 -10.028 13.286 113 H MET 18 H MET 18 -8.302 -10.794 15.117 114 HA MET 18 HA MET 18 -6.099 -9.746 16.856 115 1HB MET 18 1HB MET 18 -6.567 -12.103 17.521 116 2HB MET 18 2HB MET 18 -5.061 -12.066 16.636 117 1HG MET 18 1HG MET 18 -6.519 -12.585 14.544 118 2HG MET 18 2HG MET 18 -7.768 -12.962 15.687 119 1HE MET 18 1HE MET 18 -5.069 -14.181 13.515 120 2HE MET 18 2HE MET 18 -4.211 -15.425 14.407 121 3HE MET 18 3HE MET 18 -4.005 -13.747 14.876 122 H CYS 19 H CYS 19 -4.620 -11.697 14.716 123 HA CYS 19 HA CYS 19 -5.044 -10.141 12.255 124 1HB CYS 19 1HB CYS 19 -2.230 -9.949 13.044 125 2HB CYS 19 2HB CYS 19 -3.322 -9.081 14.086 126 H SER 20 H SER 20 -4.985 -11.422 10.714 127 HA SER 20 HA SER 20 -3.413 -13.905 10.765 128 1HB SER 20 1HB SER 20 -4.751 -14.098 8.400 129 2HB SER 20 2HB SER 20 -5.783 -12.884 9.163 130 HG SER 20 HG SER 20 -6.520 -14.806 9.895 131 H ARG 21 H ARG 21 -1.606 -12.440 10.800 132 HA ARG 21 HA ARG 21 0.445 -11.970 9.831 133 1HB ARG 21 1HB ARG 21 -0.574 -13.345 7.749 134 2HB ARG 21 2HB ARG 21 0.908 -12.449 7.610 135 1HG ARG 21 1HG ARG 21 -1.608 -10.928 6.919 136 2HG ARG 21 2HG ARG 21 -1.144 -12.215 5.832 137 1HD ARG 21 1HD ARG 21 0.367 -10.830 4.869 138 2HD ARG 21 2HD ARG 21 1.245 -10.676 6.386 139 HE ARG 21 HE ARG 21 -0.957 -8.999 6.676 140 1HH1 ARG 21 1HH1 ARG 21 1.711 -7.634 4.069 141 2HH1 ARG 21 2HH1 ARG 21 1.674 -9.324 4.441 142 1HH2 ARG 21 1HH2 ARG 21 -0.931 -6.868 6.221 143 2HH2 ARG 21 2HH2 ARG 21 0.212 -6.219 5.093 144 H GLY 22 H GLY 22 -2.318 -10.055 9.682 145 1HA GLY 22 1HA GLY 22 -0.877 -7.710 8.538 146 2HA GLY 22 2HA GLY 22 -1.371 -7.620 10.222 147 H LYS 23 H LYS 23 -3.759 -9.296 9.481 148 HA LYS 23 HA LYS 23 -5.528 -7.065 8.659 149 1HB LYS 23 1HB LYS 23 -6.776 -8.768 7.177 150 2HB LYS 23 2HB LYS 23 -5.368 -9.806 7.322 151 1HG LYS 23 1HG LYS 23 -3.938 -8.067 6.334 152 2HG LYS 23 2HG LYS 23 -5.274 -6.932 6.322 153 1HD LYS 23 1HD LYS 23 -6.478 -8.704 4.801 154 2HD LYS 23 2HD LYS 23 -4.891 -9.424 4.631 155 1HE LYS 23 1HE LYS 23 -5.147 -7.890 2.782 156 2HE LYS 23 2HE LYS 23 -4.025 -7.129 3.899 157 1HZ LYS 23 1HZ LYS 23 -6.149 -6.043 4.853 158 2HZ LYS 23 2HZ LYS 23 -6.840 -6.481 3.369 159 3HZ LYS 23 3HZ LYS 23 -5.487 -5.455 3.405 160 H CYS 24 H CYS 24 -7.145 -7.017 10.083 161 HA CYS 24 HA CYS 24 -7.275 -8.881 12.208 162 1HB CYS 24 1HB CYS 24 -9.314 -7.646 12.864 163 2HB CYS 24 2HB CYS 24 -9.413 -6.927 11.293 164 H VAL 25 H VAL 25 -8.388 -10.495 12.696 165 HA VAL 25 HA VAL 25 -10.642 -11.481 11.121 166 HB VAL 25 HB VAL 25 -9.463 -13.718 11.109 167 1HG1 VAL 25 1HG1 VAL 25 -8.405 -13.370 8.954 168 2HG1 VAL 25 2HG1 VAL 25 -8.166 -11.663 9.280 169 3HG1 VAL 25 3HG1 VAL 25 -9.788 -12.295 9.042 170 1HG2 VAL 25 1HG2 VAL 25 -7.195 -13.921 11.663 171 2HG2 VAL 25 2HG2 VAL 25 -7.505 -12.496 12.610 172 3HG2 VAL 25 3HG2 VAL 25 -6.798 -12.334 11.026 173 H SER 26 H SER 26 -11.867 -12.847 12.302 174 HA SER 26 HA SER 26 -11.964 -12.560 15.102 175 1HB SER 26 1HB SER 26 -13.750 -14.360 14.897 176 2HB SER 26 2HB SER 26 -13.336 -14.427 13.168 177 HG SER 26 HG SER 26 -13.677 -12.194 13.067 178 H ILE 27 H ILE 27 -10.982 -13.517 16.654 179 HA ILE 27 HA ILE 27 -8.916 -15.362 16.495 180 HB ILE 27 HB ILE 27 -9.186 -15.784 18.828 181 1HG1 ILE 27 1HG1 ILE 27 -11.009 -15.102 20.246 182 2HG1 ILE 27 2HG1 ILE 27 -11.602 -16.195 19.027 183 1HG2 ILE 27 1HG2 ILE 27 -9.537 -13.227 19.607 184 2HG2 ILE 27 2HG2 ILE 27 -9.472 -12.949 17.876 185 3HG2 ILE 27 3HG2 ILE 27 -8.132 -13.726 18.689 186 1HD1 ILE 27 1HD1 ILE 27 -12.486 -14.283 17.728 187 2HD1 ILE 27 2HD1 ILE 27 -11.808 -13.194 18.937 188 3HD1 ILE 27 3HD1 ILE 27 -13.106 -14.280 19.367 189 H TYR 28 H TYR 28 -12.270 -15.869 16.678 190 HA TYR 28 HA TYR 28 -12.316 -18.720 17.157 191 1HB TYR 28 1HB TYR 28 -14.716 -18.520 16.419 192 2HB TYR 28 2HB TYR 28 -14.409 -16.868 15.922 193 HD1 TYR 28 HD1 TYR 28 -15.373 -15.369 17.440 194 HD2 TYR 28 HD2 TYR 28 -13.501 -18.870 18.995 195 HE1 TYR 28 HE1 TYR 28 -15.831 -14.610 19.720 196 HE2 TYR 28 HE2 TYR 28 -13.960 -18.102 21.268 197 HH TYR 28 HH TYR 28 -14.342 -15.728 22.367 198 H GLY 29 H GLY 29 -12.679 -16.742 14.247 199 1HA GLY 29 1HA GLY 29 -12.248 -17.198 12.002 200 2HA GLY 29 2HA GLY 29 -13.048 -18.738 12.323 201 H GLU 30 H GLU 30 -10.126 -17.431 13.693 202 HA GLU 30 HA GLU 30 -8.316 -19.149 12.167 203 1HB GLU 30 1HB GLU 30 -6.702 -18.202 14.116 204 2HB GLU 30 2HB GLU 30 -8.012 -17.066 14.331 205 1HG GLU 30 1HG GLU 30 -6.469 -17.593 11.749 206 2HG GLU 30 2HG GLU 30 -6.358 -16.152 12.746 Start of MODEL 20 1 1H SER 1 1H SER 1 -9.686 4.556 16.482 2 2H SER 1 2H SER 1 -11.112 5.363 16.032 3 3H SER 1 3H SER 1 -10.308 4.369 14.913 4 HA SER 1 HA SER 1 -11.607 3.464 17.415 5 1HB SER 1 1HB SER 1 -13.260 4.110 15.633 6 2HB SER 1 2HB SER 1 -13.238 2.349 15.808 7 HG SER 1 HG SER 1 -11.771 2.245 14.104 8 H CYS 2 H CYS 2 -11.903 1.074 17.328 9 HA CYS 2 HA CYS 2 -9.381 -0.248 17.145 10 1HB CYS 2 1HB CYS 2 -11.280 -0.905 18.628 11 2HB CYS 2 2HB CYS 2 -10.565 -2.227 17.751 12 H SER 3 H SER 3 -8.760 -1.999 15.819 13 HA SER 3 HA SER 3 -9.405 -1.608 12.994 14 1HB SER 3 1HB SER 3 -7.493 -3.605 13.026 15 2HB SER 3 2HB SER 3 -7.248 -2.934 14.630 16 HG SER 3 HG SER 3 -7.360 -0.834 13.574 17 H GLY 4 H GLY 4 -11.314 -2.506 12.382 18 1HA GLY 4 1HA GLY 4 -13.092 -4.050 12.284 19 2HA GLY 4 2HA GLY 4 -12.289 -4.973 13.528 20 H ARG 5 H ARG 5 -13.262 -6.487 11.515 21 HA ARG 5 HA ARG 5 -11.282 -8.114 10.642 22 1HB ARG 5 1HB ARG 5 -12.925 -8.527 8.594 23 2HB ARG 5 2HB ARG 5 -13.956 -7.414 9.469 24 1HG ARG 5 1HG ARG 5 -13.585 -8.918 11.545 25 2HG ARG 5 2HG ARG 5 -12.800 -10.060 10.472 26 1HD ARG 5 1HD ARG 5 -15.117 -10.724 10.673 27 2HD ARG 5 2HD ARG 5 -14.931 -10.032 9.059 28 HE ARG 5 HE ARG 5 -15.676 -7.956 10.869 29 1HH1 ARG 5 1HH1 ARG 5 -19.034 -8.182 10.284 30 2HH1 ARG 5 2HH1 ARG 5 -17.742 -7.216 10.915 31 1HH2 ARG 5 1HH2 ARG 5 -16.938 -10.818 9.370 32 2HH2 ARG 5 2HH2 ARG 5 -18.573 -10.246 9.398 33 H ASP 6 H ASP 6 -9.687 -8.096 9.545 34 HA ASP 6 HA ASP 6 -8.199 -7.974 7.806 35 1HB ASP 6 1HB ASP 6 -9.721 -5.888 6.265 36 2HB ASP 6 2HB ASP 6 -10.448 -7.480 6.417 37 H SER 7 H SER 7 -8.924 -5.487 9.797 38 HA SER 7 HA SER 7 -7.191 -3.438 8.620 39 1HB SER 7 1HB SER 7 -7.633 -2.301 10.878 40 2HB SER 7 2HB SER 7 -8.555 -3.750 11.316 41 HG SER 7 HG SER 7 -9.172 -1.764 9.560 42 H ARG 8 H ARG 8 -5.212 -2.677 9.573 43 HA ARG 8 HA ARG 8 -3.279 -4.651 10.040 44 1HB ARG 8 1HB ARG 8 -2.856 -2.319 9.237 45 2HB ARG 8 2HB ARG 8 -1.745 -2.822 10.484 46 1HG ARG 8 1HG ARG 8 -4.218 -1.409 11.452 47 2HG ARG 8 2HG ARG 8 -3.109 -0.439 10.514 48 1HD ARG 8 1HD ARG 8 -2.112 -2.156 12.828 49 2HD ARG 8 2HD ARG 8 -2.684 -0.517 13.082 50 HE ARG 8 HE ARG 8 -0.192 -1.319 11.791 51 1HH1 ARG 8 1HH1 ARG 8 -1.505 2.425 11.605 52 2HH1 ARG 8 2HH1 ARG 8 -2.589 1.167 12.094 53 1HH2 ARG 8 1HH2 ARG 8 1.189 0.247 11.166 54 2HH2 ARG 8 2HH2 ARG 8 0.672 1.897 11.068 55 H CYS 9 H CYS 9 -2.566 -5.724 11.751 56 HA CYS 9 HA CYS 9 -2.812 -4.812 14.473 57 1HB CYS 9 1HB CYS 9 -4.935 -5.649 14.451 58 2HB CYS 9 2HB CYS 9 -4.086 -7.118 14.851 59 HA HYP 10 HA HYP 10 -3.149 -6.213 16.369 60 1HB HYP 10 1HB HYP 10 -3.400 -8.343 17.108 61 2HB HYP 10 2HB HYP 10 -2.244 -7.867 18.347 62 1HD HYP 10 1HD1 HYP 10 -0.549 -8.877 14.672 63 2HD HYP 10 2HD1 HYP 10 0.374 -7.838 15.779 64 HOD HYP 10 HD2 HYP 10 -2.840 -9.772 15.891 65 HG HYP 10 HG HYP 10 -0.560 -9.272 17.453 66 HA HYP 11 HA HYP 11 -3.358 -6.418 18.981 67 1HB HYP 11 1HB HYP 11 -2.260 -6.595 21.057 68 2HB HYP 11 2HB HYP 11 -3.125 -5.112 21.409 69 1HD HYP 11 1HD1 HYP 11 0.336 -4.626 19.094 70 2HD HYP 11 2HD1 HYP 11 -0.911 -3.365 19.124 71 HOD HYP 11 HD2 HYP 11 -0.111 -6.482 20.479 72 HG HYP 11 HG HYP 11 -1.049 -3.989 21.461 73 H VAL 12 H VAL 12 -3.483 -4.662 17.080 74 HA VAL 12 HA VAL 12 -4.768 -2.181 17.960 75 HB VAL 12 HB VAL 12 -4.476 -3.160 15.143 76 1HG1 VAL 12 1HG1 VAL 12 -4.441 -0.712 14.602 77 2HG1 VAL 12 2HG1 VAL 12 -4.612 -0.335 16.308 78 3HG1 VAL 12 3HG1 VAL 12 -5.912 -1.139 15.448 79 1HG2 VAL 12 1HG2 VAL 12 -2.209 -3.249 16.029 80 2HG2 VAL 12 2HG2 VAL 12 -2.424 -1.744 16.908 81 3HG2 VAL 12 3HG2 VAL 12 -2.302 -1.731 15.159 82 H CYS 13 H CYS 13 -5.695 -5.223 16.552 83 HA CYS 13 HA CYS 13 -8.206 -4.494 15.562 84 1HB CYS 13 1HB CYS 13 -8.796 -6.875 15.843 85 2HB CYS 13 2HB CYS 13 -7.298 -7.108 16.702 86 H CYS 14 H CYS 14 -10.163 -5.164 16.087 87 HA CYS 14 HA CYS 14 -11.200 -4.094 18.514 88 1HB CYS 14 1HB CYS 14 -13.402 -4.858 17.448 89 2HB CYS 14 2HB CYS 14 -12.438 -5.716 16.312 90 H MET 15 H MET 15 -12.826 -5.300 19.822 91 HA MET 15 HA MET 15 -11.573 -7.505 21.127 92 1HB MET 15 1HB MET 15 -14.484 -6.600 21.395 93 2HB MET 15 2HB MET 15 -13.150 -5.785 22.183 94 1HG MET 15 1HG MET 15 -12.564 -7.824 23.401 95 2HG MET 15 2HG MET 15 -13.788 -8.724 22.553 96 1HE MET 15 1HE MET 15 -12.846 -6.944 25.697 97 2HE MET 15 2HE MET 15 -14.274 -6.044 26.174 98 3HE MET 15 3HE MET 15 -13.366 -5.514 24.773 99 H GLY 16 H GLY 16 -11.350 -9.362 20.055 100 1HA GLY 16 1HA GLY 16 -13.739 -10.577 18.713 101 2HA GLY 16 2HA GLY 16 -12.599 -11.501 19.684 102 H LEU 17 H LEU 17 -11.030 -9.075 17.985 103 HA LEU 17 HA LEU 17 -10.269 -10.829 15.708 104 1HB LEU 17 1HB LEU 17 -9.575 -8.488 14.784 105 2HB LEU 17 2HB LEU 17 -10.590 -7.863 16.050 106 HG LEU 17 HG LEU 17 -12.480 -9.317 15.146 107 1HD1 LEU 17 1HD1 LEU 17 -11.271 -6.943 13.692 108 2HD1 LEU 17 2HD1 LEU 17 -12.633 -6.954 14.799 109 3HD1 LEU 17 3HD1 LEU 17 -12.817 -7.611 13.196 110 1HD2 LEU 17 1HD2 LEU 17 -10.382 -10.144 13.394 111 2HD2 LEU 17 2HD2 LEU 17 -11.480 -9.218 12.409 112 3HD2 LEU 17 3HD2 LEU 17 -12.074 -10.609 13.295 113 H MET 18 H MET 18 -8.148 -11.002 15.189 114 HA MET 18 HA MET 18 -6.020 -9.831 16.924 115 1HB MET 18 1HB MET 18 -6.466 -12.223 17.634 116 2HB MET 18 2HB MET 18 -4.878 -12.056 16.921 117 1HG MET 18 1HG MET 18 -6.464 -12.636 14.719 118 2HG MET 18 2HG MET 18 -7.219 -13.551 15.973 119 1HE MET 18 1HE MET 18 -5.911 -15.167 17.528 120 2HE MET 18 2HE MET 18 -4.984 -16.408 16.718 121 3HE MET 18 3HE MET 18 -6.632 -16.088 16.187 122 H CYS 19 H CYS 19 -4.369 -11.775 14.883 123 HA CYS 19 HA CYS 19 -4.901 -10.289 12.388 124 1HB CYS 19 1HB CYS 19 -2.108 -9.942 13.153 125 2HB CYS 19 2HB CYS 19 -3.252 -9.112 14.170 126 H SER 20 H SER 20 -4.647 -11.347 10.751 127 HA SER 20 HA SER 20 -3.089 -13.817 10.620 128 1HB SER 20 1HB SER 20 -4.183 -13.645 8.129 129 2HB SER 20 2HB SER 20 -5.258 -12.497 8.941 130 HG SER 20 HG SER 20 -4.638 -15.145 9.739 131 H ARG 21 H ARG 21 -1.282 -12.366 11.061 132 HA ARG 21 HA ARG 21 0.779 -11.538 10.440 133 1HB ARG 21 1HB ARG 21 1.589 -11.826 8.202 134 2HB ARG 21 2HB ARG 21 -0.017 -11.819 7.506 135 1HG ARG 21 1HG ARG 21 -0.536 -13.972 8.427 136 2HG ARG 21 2HG ARG 21 0.836 -13.919 9.518 137 1HD ARG 21 1HD ARG 21 2.291 -13.813 7.304 138 2HD ARG 21 2HD ARG 21 0.819 -14.338 6.501 139 HE ARG 21 HE ARG 21 1.091 -16.464 7.448 140 1HH1 ARG 21 1HH1 ARG 21 3.974 -15.360 9.949 141 2HH1 ARG 21 2HH1 ARG 21 3.125 -14.153 9.043 142 1HH2 ARG 21 1HH2 ARG 21 2.151 -18.002 8.582 143 2HH2 ARG 21 2HH2 ARG 21 3.417 -17.571 9.684 144 H GLY 22 H GLY 22 -2.004 -9.926 10.015 145 1HA GLY 22 1HA GLY 22 -0.790 -7.590 8.599 146 2HA GLY 22 2HA GLY 22 -1.232 -7.361 10.278 147 H LYS 23 H LYS 23 -3.573 -9.282 9.523 148 HA LYS 23 HA LYS 23 -5.445 -7.112 8.733 149 1HB LYS 23 1HB LYS 23 -6.581 -8.954 7.247 150 2HB LYS 23 2HB LYS 23 -5.059 -9.803 7.371 151 1HG LYS 23 1HG LYS 23 -3.894 -7.772 6.440 152 2HG LYS 23 2HG LYS 23 -5.449 -6.992 6.262 153 1HD LYS 23 1HD LYS 23 -5.212 -7.885 4.122 154 2HD LYS 23 2HD LYS 23 -6.067 -9.205 4.891 155 1HE LYS 23 1HE LYS 23 -4.200 -10.199 3.743 156 2HE LYS 23 2HE LYS 23 -3.764 -10.219 5.445 157 1HZ LYS 23 1HZ LYS 23 -2.478 -8.220 5.118 158 2HZ LYS 23 2HZ LYS 23 -2.932 -8.161 3.482 159 3HZ LYS 23 3HZ LYS 23 -1.965 -9.437 4.049 160 H CYS 24 H CYS 24 -7.185 -7.206 10.140 161 HA CYS 24 HA CYS 24 -7.139 -9.119 12.236 162 1HB CYS 24 1HB CYS 24 -9.323 -8.192 12.898 163 2HB CYS 24 2HB CYS 24 -9.489 -7.411 11.369 164 H VAL 25 H VAL 25 -8.209 -10.762 12.750 165 HA VAL 25 HA VAL 25 -10.276 -12.023 11.122 166 HB VAL 25 HB VAL 25 -8.834 -14.176 11.441 167 1HG1 VAL 25 1HG1 VAL 25 -9.429 -13.130 9.207 168 2HG1 VAL 25 2HG1 VAL 25 -7.888 -13.967 9.181 169 3HG1 VAL 25 3HG1 VAL 25 -7.932 -12.216 9.279 170 1HG2 VAL 25 1HG2 VAL 25 -6.420 -12.414 11.065 171 2HG2 VAL 25 2HG2 VAL 25 -6.520 -14.031 11.748 172 3HG2 VAL 25 3HG2 VAL 25 -7.019 -12.647 12.690 173 H SER 26 H SER 26 -11.412 -13.435 12.484 174 HA SER 26 HA SER 26 -11.501 -12.738 15.186 175 1HB SER 26 1HB SER 26 -12.496 -15.367 14.069 176 2HB SER 26 2HB SER 26 -13.397 -13.843 13.943 177 HG SER 26 HG SER 26 -12.765 -13.780 16.326 178 H ILE 27 H ILE 27 -10.861 -13.608 17.009 179 HA ILE 27 HA ILE 27 -8.332 -14.900 17.164 180 HB ILE 27 HB ILE 27 -9.341 -15.502 19.625 181 1HG1 ILE 27 1HG1 ILE 27 -10.951 -13.042 18.909 182 2HG1 ILE 27 2HG1 ILE 27 -10.846 -13.819 20.465 183 1HG2 ILE 27 1HG2 ILE 27 -8.546 -12.712 18.718 184 2HG2 ILE 27 2HG2 ILE 27 -7.428 -13.989 19.189 185 3HG2 ILE 27 3HG2 ILE 27 -8.510 -13.281 20.377 186 1HD1 ILE 27 1HD1 ILE 27 -11.701 -15.936 19.266 187 2HD1 ILE 27 2HD1 ILE 27 -12.253 -14.818 18.026 188 3HD1 ILE 27 3HD1 ILE 27 -12.836 -14.653 19.672 189 H TYR 28 H TYR 28 -11.462 -16.071 16.702 190 HA TYR 28 HA TYR 28 -10.898 -18.859 17.452 191 1HB TYR 28 1HB TYR 28 -13.241 -19.235 16.639 192 2HB TYR 28 2HB TYR 28 -13.298 -17.569 16.098 193 HD1 TYR 28 HD1 TYR 28 -14.803 -16.436 17.508 194 HD2 TYR 28 HD2 TYR 28 -11.969 -19.079 19.286 195 HE1 TYR 28 HE1 TYR 28 -15.525 -15.727 19.724 196 HE2 TYR 28 HE2 TYR 28 -12.693 -18.361 21.499 197 HH TYR 28 HH TYR 28 -15.330 -17.132 22.262 198 H GLY 29 H GLY 29 -11.900 -17.187 14.504 199 1HA GLY 29 1HA GLY 29 -10.985 -19.398 12.853 200 2HA GLY 29 2HA GLY 29 -9.999 -17.950 12.709 201 H GLU 30 H GLU 30 -13.017 -16.799 13.260 202 HA GLU 30 HA GLU 30 -14.198 -17.212 10.626 203 1HB GLU 30 1HB GLU 30 -15.928 -15.671 11.424 204 2HB GLU 30 2HB GLU 30 -14.947 -15.242 12.802 205 1HG GLU 30 1HG GLU 30 -15.056 -18.070 12.940 206 2HG GLU 30 2HG GLU 30 -16.649 -17.633 12.358
Contact the webmaster for help, if required. Sunday, June 16, 2024 2:04:31 PM GMT (wattos1)