NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
7283 | 1k7b | 5210 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 10 H SER 10 -5.731 -1.175 5.930 2 HA SER 10 HA SER 10 -7.391 -3.309 6.985 3 1HB SER 10 1HB SER 10 -7.583 -0.511 8.189 4 2HB SER 10 2HB SER 10 -8.914 -1.679 8.239 5 HG SER 10 HG SER 10 -6.342 -2.429 9.132 6 H CYS 11 H CYS 11 -7.934 -3.713 5.022 7 HA CYS 11 HA CYS 11 -9.799 -2.036 3.535 8 1HB CYS 11 1HB CYS 11 -7.115 -1.839 3.093 9 2HB CYS 11 2HB CYS 11 -7.439 -3.228 2.092 10 HA PRO 12 HA PRO 12 -10.919 -6.426 2.567 11 1HB PRO 12 1HB PRO 12 -9.577 -6.684 -0.109 12 2HB PRO 12 2HB PRO 12 -11.277 -7.040 0.315 13 1HG PRO 12 1HG PRO 12 -10.623 -4.822 -1.125 14 2HG PRO 12 2HG PRO 12 -11.902 -4.771 0.133 15 1HD PRO 12 1HD PRO 12 -9.005 -3.923 0.372 16 2HD PRO 12 2HD PRO 12 -10.485 -3.050 0.879 17 HA PRO 13 HA PRO 13 -7.186 -8.620 3.648 18 1HB PRO 13 1HB PRO 13 -7.556 -11.230 2.916 19 2HB PRO 13 2HB PRO 13 -8.478 -10.465 4.250 20 1HG PRO 13 1HG PRO 13 -9.318 -10.814 1.361 21 2HG PRO 13 2HG PRO 13 -10.253 -11.234 2.836 22 1HD PRO 13 1HD PRO 13 -10.644 -8.900 1.496 23 2HD PRO 13 2HD PRO 13 -10.725 -8.949 3.285 24 H GLY 14 H GLY 14 -5.308 -9.220 2.947 25 1HA GLY 14 1HA GLY 14 -3.469 -9.174 1.591 26 2HA GLY 14 2HA GLY 14 -4.467 -9.728 0.251 27 H GLN 15 H GLN 15 -5.286 -6.618 1.820 28 HA GLN 15 HA GLN 15 -3.920 -5.067 -0.251 29 1HB GLN 15 1HB GLN 15 -6.853 -5.249 0.205 30 2HB GLN 15 2HB GLN 15 -6.182 -3.633 -0.040 31 1HG GLN 15 1HG GLN 15 -5.370 -4.099 -2.179 32 2HG GLN 15 2HG GLN 15 -5.343 -5.846 -1.916 33 1HE2 GLN 15 1HE2 GLN 15 -7.436 -6.961 -1.654 34 2HE2 GLN 15 2HE2 GLN 15 -8.704 -6.402 -2.741 35 H PHE 16 H PHE 16 -3.003 -3.394 0.533 36 HA PHE 16 HA PHE 16 -3.783 -2.190 3.197 37 1HB PHE 16 1HB PHE 16 -1.567 -2.010 3.944 38 2HB PHE 16 2HB PHE 16 -1.633 -3.622 3.273 39 HD1 PHE 16 HD1 PHE 16 -0.842 -3.861 0.804 40 HD2 PHE 16 HD2 PHE 16 0.077 -0.447 3.224 41 HE1 PHE 16 HE1 PHE 16 0.985 -3.264 -0.759 42 HE2 PHE 16 HE2 PHE 16 1.819 0.236 1.624 43 HZ PHE 16 HZ PHE 16 2.280 -1.233 -0.425 44 H ARG 17 H ARG 17 -3.016 0.119 3.505 45 HA ARG 17 HA ARG 17 -2.847 1.596 0.915 46 1HB ARG 17 1HB ARG 17 -3.788 3.500 1.983 47 2HB ARG 17 2HB ARG 17 -4.840 2.081 2.156 48 1HG ARG 17 1HG ARG 17 -4.088 1.816 4.517 49 2HG ARG 17 2HG ARG 17 -3.060 3.244 4.343 50 1HD ARG 17 1HD ARG 17 -5.141 3.850 5.476 51 2HD ARG 17 2HD ARG 17 -5.020 4.657 3.917 52 HE ARG 17 HE ARG 17 -6.899 3.529 3.160 53 1HH1 ARG 17 1HH1 ARG 17 -5.985 1.882 6.142 54 2HH1 ARG 17 2HH1 ARG 17 -7.402 0.844 6.006 55 1HH2 ARG 17 2HH2 ARG 17 -8.551 2.153 3.109 56 2HH2 ARG 17 1HH2 ARG 17 -8.729 0.941 4.378 57 H CYS 18 H CYS 18 -1.490 3.158 0.567 58 HA CYS 18 HA CYS 18 1.160 2.775 1.736 59 1HB CYS 18 1HB CYS 18 -0.011 4.049 -0.726 60 2HB CYS 18 2HB CYS 18 1.624 4.465 -0.233 61 H SER 19 H SER 19 0.154 5.745 0.506 62 HA SER 19 HA SER 19 1.486 7.174 2.761 63 1HB SER 19 1HB SER 19 1.449 7.884 -0.200 64 2HB SER 19 2HB SER 19 2.357 8.741 1.061 65 HG SER 19 HG SER 19 3.085 6.585 -0.320 66 H GLU 20 H GLU 20 -1.147 6.731 2.743 67 HA GLU 20 HA GLU 20 -2.126 9.469 3.346 68 1HB GLU 20 1HB GLU 20 -2.981 8.876 1.135 69 2HB GLU 20 2HB GLU 20 -3.775 7.449 1.801 70 1HG GLU 20 1HG GLU 20 -5.269 8.834 3.145 71 2HG GLU 20 2HG GLU 20 -4.335 10.284 2.765 72 HA PRO 21 HA PRO 21 -2.813 7.135 7.119 73 1HB PRO 21 1HB PRO 21 -3.856 9.126 8.717 74 2HB PRO 21 2HB PRO 21 -2.145 9.077 8.197 75 1HG PRO 21 1HG PRO 21 -4.440 10.609 6.925 76 2HG PRO 21 2HG PRO 21 -2.833 11.238 7.422 77 1HD PRO 21 1HD PRO 21 -3.317 10.498 4.860 78 2HD PRO 21 2HD PRO 21 -1.747 10.130 5.632 79 HA PRO 22 HA PRO 22 -7.087 5.873 7.346 80 1HB PRO 22 1HB PRO 22 -7.571 5.391 10.007 81 2HB PRO 22 2HB PRO 22 -6.516 4.363 8.990 82 1HG PRO 22 1HG PRO 22 -5.685 6.641 10.819 83 2HG PRO 22 2HG PRO 22 -5.044 4.968 10.758 84 1HD PRO 22 1HD PRO 22 -3.790 6.995 9.473 85 2HD PRO 22 2HD PRO 22 -3.913 5.386 8.705 86 H GLY 23 H GLY 23 -9.192 6.341 8.465 87 1HA GLY 23 1HA GLY 23 -10.944 7.875 8.735 88 2HA GLY 23 2HA GLY 23 -9.778 9.140 9.112 89 H ALA 24 H ALA 24 -8.389 8.272 6.468 90 HA ALA 24 HA ALA 24 -10.297 9.265 4.414 91 1HB ALA 24 1HB ALA 24 -8.363 10.306 3.266 92 2HB ALA 24 2HB ALA 24 -8.638 11.016 4.868 93 3HB ALA 24 3HB ALA 24 -7.312 9.858 4.627 94 H HIS 25 H HIS 25 -10.836 6.989 4.390 95 HA HIS 25 HA HIS 25 -9.218 4.830 4.310 96 1HB HIS 25 1HB HIS 25 -11.907 5.147 2.911 97 2HB HIS 25 2HB HIS 25 -11.189 3.647 3.461 98 HD1 HIS 25 HD1 HIS 25 -13.658 6.064 4.603 99 HD2 HIS 25 HD2 HIS 25 -10.562 3.765 6.351 100 HE1 HIS 25 HE1 HIS 25 -14.150 5.972 7.130 101 HE2 HIS 25 HE2 HIS 25 -12.277 4.562 8.190 102 H GLY 26 H GLY 26 -10.212 6.566 1.518 103 1HA GLY 26 1HA GLY 26 -9.360 6.768 -0.651 104 2HA GLY 26 2HA GLY 26 -7.832 6.385 0.140 105 H GLU 27 H GLU 27 -7.061 5.448 -1.679 106 HA GLU 27 HA GLU 27 -8.070 2.714 -2.453 107 1HB GLU 27 1HB GLU 27 -6.607 4.813 -4.127 108 2HB GLU 27 2HB GLU 27 -6.845 3.147 -4.634 109 1HG GLU 27 1HG GLU 27 -9.079 5.142 -4.051 110 2HG GLU 27 2HG GLU 27 -8.440 4.769 -5.645 111 H CYS 28 H CYS 28 -7.195 1.481 -1.268 112 HA CYS 28 HA CYS 28 -4.512 1.113 -0.512 113 1HB CYS 28 1HB CYS 28 -6.779 -0.798 -1.159 114 2HB CYS 28 2HB CYS 28 -5.435 -1.127 -0.155 115 H TYR 29 H TYR 29 -3.608 -1.109 -1.234 116 HA TYR 29 HA TYR 29 -3.586 -1.692 -4.104 117 1HB TYR 29 1HB TYR 29 -1.060 -0.972 -2.538 118 2HB TYR 29 2HB TYR 29 -1.066 -1.571 -4.174 119 HD1 TYR 29 HD1 TYR 29 -1.291 1.319 -2.007 120 HD2 TYR 29 HD2 TYR 29 -1.917 -0.027 -6.067 121 HE1 TYR 29 HE1 TYR 29 -1.294 3.678 -2.800 122 HE2 TYR 29 HE2 TYR 29 -1.906 2.327 -6.842 123 HH TYR 29 HH TYR 29 -1.468 5.080 -4.597 124 HA PRO 30 HA PRO 30 -3.164 -5.784 -2.440 125 1HB PRO 30 1HB PRO 30 -1.047 -6.429 -4.431 126 2HB PRO 30 2HB PRO 30 -2.593 -7.267 -4.117 127 1HG PRO 30 1HG PRO 30 -2.261 -5.701 -6.337 128 2HG PRO 30 2HG PRO 30 -3.805 -5.684 -5.423 129 1HD PRO 30 1HD PRO 30 -1.505 -3.722 -5.251 130 2HD PRO 30 2HD PRO 30 -3.254 -3.389 -5.389 131 H GLN 31 H GLN 31 -1.889 -6.940 -1.036 132 HA GLN 31 HA GLN 31 0.721 -5.833 -0.177 133 1HB GLN 31 1HB GLN 31 -0.822 -8.324 0.717 134 2HB GLN 31 2HB GLN 31 0.658 -7.743 1.477 135 1HG GLN 31 1HG GLN 31 -0.421 -5.704 2.221 136 2HG GLN 31 2HG GLN 31 -1.908 -6.109 1.362 137 1HE2 GLN 31 1HE2 GLN 31 -3.182 -6.017 3.385 138 2HE2 GLN 31 2HE2 GLN 31 -2.977 -7.320 4.542 139 H ASP 32 H ASP 32 -0.192 -7.788 -2.673 140 HA ASP 32 HA ASP 32 2.253 -9.271 -3.030 141 1HB ASP 32 1HB ASP 32 -0.039 -9.344 -4.320 142 2HB ASP 32 2HB ASP 32 0.535 -7.941 -5.173 143 H TRP 33 H TRP 33 1.182 -6.083 -3.474 144 HA TRP 33 HA TRP 33 3.788 -5.004 -4.289 145 1HB TRP 33 1HB TRP 33 1.222 -3.465 -4.004 146 2HB TRP 33 2HB TRP 33 2.721 -2.955 -4.729 147 HD1 TRP 33 HD1 TRP 33 1.996 -6.238 -6.222 148 HE1 TRP 33 HE1 TRP 33 0.684 -6.054 -8.415 149 HE3 TRP 33 HE3 TRP 33 0.850 -1.255 -6.050 150 HZ2 TRP 33 HZ2 TRP 33 -0.813 -4.047 -9.835 151 HZ3 TRP 33 HZ3 TRP 33 -0.498 -0.221 -7.880 152 HH2 TRP 33 HH2 TRP 33 -1.389 -1.615 -9.724 153 H LEU 34 H LEU 34 3.623 -6.133 -1.971 154 HA LEU 34 HA LEU 34 4.772 -3.954 -0.305 155 1HB LEU 34 1HB LEU 34 2.512 -4.737 0.631 156 2HB LEU 34 2HB LEU 34 3.236 -6.314 0.859 157 HG LEU 34 HG LEU 34 5.036 -5.137 2.292 158 1HD1 LEU 34 1HD1 LEU 34 2.906 -2.962 2.374 159 2HD1 LEU 34 2HD1 LEU 34 4.418 -3.013 3.306 160 3HD1 LEU 34 3HD1 LEU 34 4.465 -2.806 1.549 161 1HD2 LEU 34 1HD2 LEU 34 2.130 -5.116 3.233 162 2HD2 LEU 34 2HD2 LEU 34 3.221 -6.521 3.249 163 3HD2 LEU 34 3HD2 LEU 34 3.566 -5.124 4.282 164 H CYS 35 H CYS 35 6.870 -4.320 -0.555 165 HA CYS 35 HA CYS 35 8.804 -5.134 -1.174 166 1HB CYS 35 1HB CYS 35 8.864 -5.802 0.934 167 2HB CYS 35 2HB CYS 35 7.976 -7.280 0.708 168 H ASP 36 H ASP 36 7.676 -5.108 -3.252 169 HA ASP 36 HA ASP 36 7.264 -7.752 -4.603 170 1HB ASP 36 1HB ASP 36 5.734 -5.823 -5.089 171 2HB ASP 36 2HB ASP 36 7.109 -4.936 -5.737 172 H GLY 37 H GLY 37 9.721 -5.490 -3.877 173 1HA GLY 37 1HA GLY 37 12.042 -5.630 -4.422 174 2HA GLY 37 2HA GLY 37 11.648 -6.634 -5.830 175 H HIS 38 H HIS 38 9.557 -4.193 -5.562 176 HA HIS 38 HA HIS 38 10.796 -2.161 -7.284 177 1HB HIS 38 1HB HIS 38 10.002 -3.711 -8.891 178 2HB HIS 38 2HB HIS 38 8.566 -4.088 -7.977 179 HD1 HIS 38 HD1 HIS 38 9.788 -1.138 -10.206 180 HD2 HIS 38 HD2 HIS 38 6.468 -2.637 -8.079 181 HE1 HIS 38 HE1 HIS 38 7.811 0.460 -10.680 182 HE2 HIS 38 HE2 HIS 38 5.777 -0.496 -9.388 183 HA PRO 39 HA PRO 39 8.114 -0.037 -4.285 184 1HB PRO 39 1HB PRO 39 8.500 2.560 -5.190 185 2HB PRO 39 2HB PRO 39 9.421 1.680 -3.966 186 1HG PRO 39 1HG PRO 39 10.255 2.404 -6.710 187 2HG PRO 39 2HG PRO 39 11.257 1.774 -5.372 188 1HD PRO 39 1HD PRO 39 10.172 0.353 -7.672 189 2HD PRO 39 2HD PRO 39 11.260 -0.274 -6.412 190 H ASP 40 H ASP 40 6.090 0.997 -4.286 191 HA ASP 40 HA ASP 40 4.988 2.107 -6.842 192 1HB ASP 40 1HB ASP 40 3.656 -0.118 -5.256 193 2HB ASP 40 2HB ASP 40 2.790 0.898 -6.396 194 H CYS 41 H CYS 41 5.586 2.532 -3.602 195 HA CYS 41 HA CYS 41 2.956 3.097 -2.790 196 1HB CYS 41 1HB CYS 41 5.377 2.726 -1.488 197 2HB CYS 41 2HB CYS 41 4.662 4.176 -0.819 198 H ASP 42 H ASP 42 3.956 4.896 -4.751 199 HA ASP 42 HA ASP 42 4.679 6.930 -5.368 200 1HB ASP 42 1HB ASP 42 2.195 7.311 -5.074 201 2HB ASP 42 2HB ASP 42 2.544 8.045 -3.509 202 H ASP 43 H ASP 43 5.309 6.058 -2.386 203 HA ASP 43 HA ASP 43 7.640 7.825 -2.353 204 1HB ASP 43 1HB ASP 43 5.814 7.973 -0.381 205 2HB ASP 43 2HB ASP 43 6.787 6.641 0.213 206 H GLY 44 H GLY 44 6.602 4.889 -2.949 207 1HA GLY 44 1HA GLY 44 7.679 2.744 -3.105 208 2HA GLY 44 2HA GLY 44 9.205 3.545 -2.783 209 H ARG 45 H ARG 45 6.627 3.721 -0.571 210 HA ARG 45 HA ARG 45 8.351 2.529 1.557 211 1HB ARG 45 1HB ARG 45 6.912 3.476 3.232 212 2HB ARG 45 2HB ARG 45 7.500 4.724 2.146 213 1HG ARG 45 1HG ARG 45 5.374 4.947 1.067 214 2HG ARG 45 2HG ARG 45 4.726 3.500 1.861 215 1HD ARG 45 1HD ARG 45 5.647 5.960 3.382 216 2HD ARG 45 2HD ARG 45 3.988 5.753 2.791 217 HE ARG 45 HE ARG 45 4.363 3.427 4.155 218 1HH1 ARG 45 1HH1 ARG 45 4.676 6.758 5.174 219 2HH1 ARG 45 2HH1 ARG 45 4.288 6.376 6.834 220 1HH2 ARG 45 2HH2 ARG 45 3.915 3.001 6.269 221 2HH2 ARG 45 1HH2 ARG 45 3.861 4.302 7.424 222 H ASP 46 H ASP 46 6.537 1.211 -0.671 223 HA ASP 46 HA ASP 46 5.239 -0.728 1.001 224 1HB ASP 46 1HB ASP 46 4.871 -1.863 -1.145 225 2HB ASP 46 2HB ASP 46 4.158 -0.260 -1.153 226 H GLU 47 H GLU 47 8.167 -0.057 -0.737 227 HA GLU 47 HA GLU 47 9.191 -2.748 -0.576 228 1HB GLU 47 1HB GLU 47 10.419 -0.048 -1.206 229 2HB GLU 47 2HB GLU 47 11.374 -1.509 -1.219 230 1HG GLU 47 1HG GLU 47 8.798 -1.395 -2.797 231 2HG GLU 47 2HG GLU 47 10.259 -0.648 -3.404 232 H TRP 48 H TRP 48 9.352 0.082 1.314 233 HA TRP 48 HA TRP 48 11.839 -0.170 2.516 234 1HB TRP 48 1HB TRP 48 9.441 1.254 3.673 235 2HB TRP 48 2HB TRP 48 11.102 1.416 4.224 236 HD1 TRP 48 HD1 TRP 48 11.340 1.468 0.552 237 HE1 TRP 48 HE1 TRP 48 11.052 3.797 -0.414 238 HE3 TRP 48 HE3 TRP 48 9.845 3.787 4.766 239 HZ2 TRP 48 HZ2 TRP 48 10.521 6.520 0.651 240 HZ3 TRP 48 HZ3 TRP 48 9.450 6.294 4.824 241 HH2 TRP 48 HH2 TRP 48 9.794 7.636 2.759 242 H GLY 49 H GLY 49 12.540 -1.603 3.521 243 1HA GLY 49 1HA GLY 49 13.152 -2.971 5.366 244 2HA GLY 49 2HA GLY 49 11.712 -2.388 6.209 245 H CYS 50 H CYS 50 10.737 -3.615 3.171 246 HA CYS 50 HA CYS 50 9.191 -5.143 2.759 247 1HB CYS 50 1HB CYS 50 11.403 -5.721 1.986 248 2HB CYS 50 2HB CYS 50 11.769 -6.517 3.489 249 H GLY 51 H GLY 51 8.899 -4.453 5.506 250 1HA GLY 51 1HA GLY 51 6.873 -6.329 6.340 251 2HA GLY 51 2HA GLY 51 8.334 -6.591 7.294 Start of MODEL 2 1 H SER 10 H SER 10 -5.976 -1.076 5.850 2 HA SER 10 HA SER 10 -7.745 -3.210 6.818 3 1HB SER 10 1HB SER 10 -7.946 -0.351 7.877 4 2HB SER 10 2HB SER 10 -9.187 -1.602 8.070 5 HG SER 10 HG SER 10 -7.828 -1.451 9.909 6 H CYS 11 H CYS 11 -8.175 -3.623 4.837 7 HA CYS 11 HA CYS 11 -9.975 -1.950 3.249 8 1HB CYS 11 1HB CYS 11 -7.260 -1.827 2.923 9 2HB CYS 11 2HB CYS 11 -7.587 -3.203 1.907 10 HA PRO 12 HA PRO 12 -11.052 -6.373 2.298 11 1HB PRO 12 1HB PRO 12 -9.623 -6.728 -0.301 12 2HB PRO 12 2HB PRO 12 -11.355 -6.985 0.052 13 1HG PRO 12 1HG PRO 12 -10.489 -4.847 -1.427 14 2HG PRO 12 2HG PRO 12 -11.869 -4.718 -0.287 15 1HD PRO 12 1HD PRO 12 -8.982 -3.938 0.170 16 2HD PRO 12 2HD PRO 12 -10.472 -3.015 0.529 17 HA PRO 13 HA PRO 13 -7.335 -8.490 3.572 18 1HB PRO 13 1HB PRO 13 -7.617 -11.114 2.853 19 2HB PRO 13 2HB PRO 13 -8.627 -10.353 4.122 20 1HG PRO 13 1HG PRO 13 -9.301 -10.758 1.196 21 2HG PRO 13 2HG PRO 13 -10.307 -11.173 2.624 22 1HD PRO 13 1HD PRO 13 -10.656 -8.866 1.224 23 2HD PRO 13 2HD PRO 13 -10.851 -8.895 3.004 24 H GLY 14 H GLY 14 -5.411 -9.128 2.991 25 1HA GLY 14 1HA GLY 14 -3.493 -9.094 1.742 26 2HA GLY 14 2HA GLY 14 -4.424 -9.682 0.366 27 H GLN 15 H GLN 15 -5.295 -6.540 1.834 28 HA GLN 15 HA GLN 15 -3.913 -5.044 -0.262 29 1HB GLN 15 1HB GLN 15 -6.864 -5.273 0.076 30 2HB GLN 15 2HB GLN 15 -6.203 -3.675 -0.292 31 1HG GLN 15 1HG GLN 15 -5.297 -4.322 -2.344 32 2HG GLN 15 2HG GLN 15 -5.239 -6.033 -1.914 33 1HE2 GLN 15 2HE2 GLN 15 -7.369 -7.145 -1.551 34 2HE2 GLN 15 1HE2 GLN 15 -8.562 -6.756 -2.786 35 H PHE 16 H PHE 16 -2.938 -3.426 0.559 36 HA PHE 16 HA PHE 16 -3.790 -2.175 3.182 37 1HB PHE 16 1HB PHE 16 -1.591 -2.042 3.956 38 2HB PHE 16 2HB PHE 16 -1.669 -3.646 3.265 39 HD1 PHE 16 HD1 PHE 16 -0.821 -3.891 0.822 40 HD2 PHE 16 HD2 PHE 16 0.076 -0.483 3.263 41 HE1 PHE 16 HE1 PHE 16 1.006 -3.281 -0.728 42 HE2 PHE 16 HE2 PHE 16 1.839 0.199 1.680 43 HZ PHE 16 HZ PHE 16 2.306 -1.254 -0.373 44 H ARG 17 H ARG 17 -3.071 0.122 3.490 45 HA ARG 17 HA ARG 17 -2.869 1.598 0.902 46 1HB ARG 17 1HB ARG 17 -3.756 3.525 1.979 47 2HB ARG 17 2HB ARG 17 -4.844 2.127 2.139 48 1HG ARG 17 1HG ARG 17 -4.105 1.831 4.502 49 2HG ARG 17 2HG ARG 17 -3.041 3.233 4.338 50 1HD ARG 17 1HD ARG 17 -5.112 3.885 5.467 51 2HD ARG 17 2HD ARG 17 -4.967 4.694 3.912 52 HE ARG 17 HE ARG 17 -6.868 3.614 3.144 53 1HH1 ARG 17 2HH1 ARG 17 -6.008 1.936 6.119 54 2HH1 ARG 17 1HH1 ARG 17 -7.464 0.957 5.997 55 1HH2 ARG 17 1HH2 ARG 17 -8.555 2.306 3.087 56 2HH2 ARG 17 2HH2 ARG 17 -8.766 1.061 4.321 57 H CYS 18 H CYS 18 -1.532 3.196 0.580 58 HA CYS 18 HA CYS 18 1.130 2.771 1.734 59 1HB CYS 18 1HB CYS 18 -0.039 3.982 -0.761 60 2HB CYS 18 2HB CYS 18 1.603 4.400 -0.282 61 H SER 19 H SER 19 0.202 5.736 0.431 62 HA SER 19 HA SER 19 1.535 7.155 2.691 63 1HB SER 19 1HB SER 19 1.512 7.901 -0.259 64 2HB SER 19 2HB SER 19 2.448 8.702 1.018 65 HG SER 19 HG SER 19 3.029 6.465 -0.381 66 H GLU 20 H GLU 20 -1.101 6.739 2.673 67 HA GLU 20 HA GLU 20 -2.060 9.470 3.318 68 1HB GLU 20 1HB GLU 20 -2.937 8.923 1.108 69 2HB GLU 20 2HB GLU 20 -3.715 7.476 1.742 70 1HG GLU 20 1HG GLU 20 -5.212 8.815 3.128 71 2HG GLU 20 2HG GLU 20 -4.295 10.282 2.777 72 HA PRO 21 HA PRO 21 -2.637 7.028 7.032 73 1HB PRO 21 1HB PRO 21 -3.607 8.963 8.735 74 2HB PRO 21 2HB PRO 21 -1.922 8.945 8.133 75 1HG PRO 21 1HG PRO 21 -4.287 10.492 7.014 76 2HG PRO 21 2HG PRO 21 -2.666 11.125 7.461 77 1HD PRO 21 1HD PRO 21 -3.253 10.455 4.898 78 2HD PRO 21 2HD PRO 21 -1.647 10.086 5.593 79 HA PRO 22 HA PRO 22 -6.921 5.799 7.410 80 1HB PRO 22 1HB PRO 22 -7.278 5.236 10.076 81 2HB PRO 22 2HB PRO 22 -6.301 4.221 8.971 82 1HG PRO 22 1HG PRO 22 -5.326 6.413 10.834 83 2HG PRO 22 2HG PRO 22 -4.725 4.732 10.676 84 1HD PRO 22 1HD PRO 22 -3.500 6.788 9.403 85 2HD PRO 22 2HD PRO 22 -3.688 5.209 8.588 86 H GLY 23 H GLY 23 -8.958 6.279 8.657 87 1HA GLY 23 1HA GLY 23 -10.653 7.859 9.029 88 2HA GLY 23 2HA GLY 23 -9.433 9.080 9.387 89 H ALA 24 H ALA 24 -8.294 8.039 6.620 90 HA ALA 24 HA ALA 24 -10.210 9.227 4.698 91 1HB ALA 24 1HB ALA 24 -7.205 9.760 4.791 92 2HB ALA 24 2HB ALA 24 -8.306 10.264 3.491 93 3HB ALA 24 3HB ALA 24 -8.496 10.935 5.124 94 H HIS 25 H HIS 25 -10.834 7.012 4.502 95 HA HIS 25 HA HIS 25 -9.303 4.791 4.354 96 1HB HIS 25 1HB HIS 25 -11.955 5.296 2.941 97 2HB HIS 25 2HB HIS 25 -11.306 3.736 3.400 98 HD1 HIS 25 HD1 HIS 25 -13.735 6.105 4.657 99 HD2 HIS 25 HD2 HIS 25 -10.660 3.713 6.315 100 HE1 HIS 25 HE1 HIS 25 -14.243 5.897 7.174 101 HE2 HIS 25 HE2 HIS 25 -12.380 4.434 8.179 102 H GLY 26 H GLY 26 -10.148 6.703 1.625 103 1HA GLY 26 1HA GLY 26 -9.273 6.909 -0.540 104 2HA GLY 26 2HA GLY 26 -7.777 6.368 0.220 105 H GLU 27 H GLU 27 -7.040 5.282 -1.501 106 HA GLU 27 HA GLU 27 -8.282 2.646 -2.172 107 1HB GLU 27 1HB GLU 27 -8.820 4.286 -3.990 108 2HB GLU 27 2HB GLU 27 -7.093 4.591 -4.216 109 1HG GLU 27 1HG GLU 27 -6.744 2.235 -4.865 110 2HG GLU 27 2HG GLU 27 -8.433 1.865 -4.514 111 H CYS 28 H CYS 28 -7.236 1.314 -1.374 112 HA CYS 28 HA CYS 28 -4.536 1.160 -0.633 113 1HB CYS 28 1HB CYS 28 -6.671 -0.936 -1.167 114 2HB CYS 28 2HB CYS 28 -5.342 -1.082 -0.089 115 H TYR 29 H TYR 29 -3.522 -1.112 -1.248 116 HA TYR 29 HA TYR 29 -3.502 -1.751 -4.110 117 1HB TYR 29 1HB TYR 29 -0.989 -0.959 -2.556 118 2HB TYR 29 2HB TYR 29 -0.981 -1.598 -4.178 119 HD1 TYR 29 HD1 TYR 29 -1.851 -0.126 -6.114 120 HD2 TYR 29 HD2 TYR 29 -1.298 1.346 -2.086 121 HE1 TYR 29 HE1 TYR 29 -1.953 2.206 -6.945 122 HE2 TYR 29 HE2 TYR 29 -1.410 3.683 -2.935 123 HH TYR 29 HH TYR 29 -1.678 5.031 -4.763 124 HA PRO 30 HA PRO 30 -3.072 -5.812 -2.417 125 1HB PRO 30 1HB PRO 30 -0.945 -6.484 -4.382 126 2HB PRO 30 2HB PRO 30 -2.505 -7.302 -4.083 127 1HG PRO 30 1HG PRO 30 -2.115 -5.750 -6.310 128 2HG PRO 30 2HG PRO 30 -3.677 -5.721 -5.428 129 1HD PRO 30 1HD PRO 30 -1.369 -3.771 -5.219 130 2HD PRO 30 2HD PRO 30 -3.113 -3.429 -5.394 131 H GLN 31 H GLN 31 -1.826 -6.929 -0.986 132 HA GLN 31 HA GLN 31 0.789 -5.858 -0.121 133 1HB GLN 31 1HB GLN 31 -0.834 -8.317 0.738 134 2HB GLN 31 2HB GLN 31 0.676 -7.819 1.511 135 1HG GLN 31 1HG GLN 31 -0.288 -5.780 2.328 136 2HG GLN 31 2HG GLN 31 -1.756 -5.997 1.377 137 1HE2 GLN 31 2HE2 GLN 31 -0.090 -8.493 3.467 138 2HE2 GLN 31 1HE2 GLN 31 -1.510 -8.662 4.492 139 H ASP 32 H ASP 32 -0.099 -7.815 -2.614 140 HA ASP 32 HA ASP 32 2.357 -9.288 -2.958 141 1HB ASP 32 1HB ASP 32 0.081 -9.394 -4.263 142 2HB ASP 32 2HB ASP 32 0.632 -7.978 -5.108 143 H TRP 33 H TRP 33 1.262 -6.109 -3.422 144 HA TRP 33 HA TRP 33 3.865 -5.015 -4.228 145 1HB TRP 33 1HB TRP 33 1.280 -3.502 -3.995 146 2HB TRP 33 2HB TRP 33 2.784 -2.971 -4.695 147 HD1 TRP 33 HD1 TRP 33 2.084 -6.304 -6.156 148 HE1 TRP 33 HE1 TRP 33 0.831 -6.147 -8.378 149 HE3 TRP 33 HE3 TRP 33 0.913 -1.316 -6.072 150 HZ2 TRP 33 HZ2 TRP 33 -0.654 -4.171 -9.850 151 HZ3 TRP 33 HZ3 TRP 33 -0.417 -0.321 -7.930 152 HH2 TRP 33 HH2 TRP 33 -1.261 -1.745 -9.774 153 H LEU 34 H LEU 34 3.697 -6.131 -1.919 154 HA LEU 34 HA LEU 34 4.824 -3.938 -0.262 155 1HB LEU 34 1HB LEU 34 2.569 -4.718 0.680 156 2HB LEU 34 2HB LEU 34 3.288 -6.296 0.912 157 HG LEU 34 HG LEU 34 5.074 -5.142 2.361 158 1HD1 LEU 34 1HD1 LEU 34 2.994 -2.920 2.397 159 2HD1 LEU 34 2HD1 LEU 34 4.491 -2.997 3.352 160 3HD1 LEU 34 3HD1 LEU 34 4.567 -2.805 1.595 161 1HD2 LEU 34 1HD2 LEU 34 3.210 -6.476 3.302 162 2HD2 LEU 34 2HD2 LEU 34 3.573 -5.080 4.331 163 3HD2 LEU 34 3HD2 LEU 34 2.154 -5.045 3.260 164 H CYS 35 H CYS 35 6.922 -4.289 -0.526 165 HA CYS 35 HA CYS 35 8.862 -5.094 -1.133 166 1HB CYS 35 1HB CYS 35 8.935 -5.730 0.976 167 2HB CYS 35 2HB CYS 35 8.047 -7.217 0.778 168 H ASP 36 H ASP 36 7.743 -5.101 -3.205 169 HA ASP 36 HA ASP 36 7.343 -7.763 -4.527 170 1HB ASP 36 1HB ASP 36 5.783 -5.858 -5.012 171 2HB ASP 36 2HB ASP 36 7.136 -4.962 -5.687 172 H GLY 37 H GLY 37 9.783 -5.468 -3.846 173 1HA GLY 37 1HA GLY 37 12.101 -5.583 -4.434 174 2HA GLY 37 2HA GLY 37 11.692 -6.606 -5.825 175 H HIS 38 H HIS 38 9.576 -4.200 -5.555 176 HA HIS 38 HA HIS 38 10.764 -2.182 -7.334 177 1HB HIS 38 1HB HIS 38 9.907 -3.762 -8.886 178 2HB HIS 38 2HB HIS 38 8.488 -4.089 -7.927 179 HD1 HIS 38 HD1 HIS 38 9.736 -1.201 -10.224 180 HD2 HIS 38 HD2 HIS 38 6.404 -2.589 -8.045 181 HE1 HIS 38 HE1 HIS 38 7.779 0.406 -10.746 182 HE2 HIS 38 HE2 HIS 38 5.729 -0.484 -9.444 183 HA PRO 39 HA PRO 39 8.132 -0.062 -4.266 184 1HB PRO 39 1HB PRO 39 8.588 2.534 -5.224 185 2HB PRO 39 2HB PRO 39 9.375 1.686 -3.889 186 1HG PRO 39 1HG PRO 39 10.601 2.388 -6.428 187 2HG PRO 39 2HG PRO 39 11.324 1.466 -5.079 188 1HD PRO 39 1HD PRO 39 10.116 0.471 -7.604 189 2HD PRO 39 2HD PRO 39 11.286 -0.329 -6.527 190 H ASP 40 H ASP 40 6.124 0.966 -4.298 191 HA ASP 40 HA ASP 40 5.124 2.145 -6.829 192 1HB ASP 40 1HB ASP 40 4.572 -0.551 -6.418 193 2HB ASP 40 2HB ASP 40 3.141 0.214 -5.753 194 H CYS 41 H CYS 41 5.553 2.480 -3.649 195 HA CYS 41 HA CYS 41 2.892 2.919 -2.819 196 1HB CYS 41 1HB CYS 41 5.311 2.615 -1.528 197 2HB CYS 41 2HB CYS 41 4.618 4.093 -0.900 198 H ASP 42 H ASP 42 3.797 4.728 -4.813 199 HA ASP 42 HA ASP 42 4.440 6.778 -5.469 200 1HB ASP 42 1HB ASP 42 1.951 7.097 -5.122 201 2HB ASP 42 2HB ASP 42 2.316 7.852 -3.571 202 H ASP 43 H ASP 43 5.108 5.984 -2.465 203 HA ASP 43 HA ASP 43 7.368 7.855 -2.358 204 1HB ASP 43 1HB ASP 43 5.523 7.978 -0.512 205 2HB ASP 43 2HB ASP 43 6.292 6.518 0.075 206 H GLY 44 H GLY 44 6.473 4.861 -3.029 207 1HA GLY 44 1HA GLY 44 7.620 2.752 -3.145 208 2HA GLY 44 2HA GLY 44 9.114 3.608 -2.823 209 H ARG 45 H ARG 45 6.533 3.717 -0.600 210 HA ARG 45 HA ARG 45 8.321 2.607 1.517 211 1HB ARG 45 1HB ARG 45 6.961 3.560 3.199 212 2HB ARG 45 2HB ARG 45 7.304 4.810 2.011 213 1HG ARG 45 1HG ARG 45 5.033 4.636 1.105 214 2HG ARG 45 2HG ARG 45 4.697 3.233 2.132 215 1HD ARG 45 1HD ARG 45 3.640 5.137 3.096 216 2HD ARG 45 2HD ARG 45 4.984 4.655 4.145 217 HE ARG 45 HE ARG 45 5.866 6.685 2.299 218 1HH1 ARG 45 2HH2 ARG 45 3.741 6.495 5.069 219 2HH1 ARG 45 1HH2 ARG 45 4.028 8.165 5.496 220 1HH2 ARG 45 1HH1 ARG 45 6.255 8.681 2.906 221 2HH2 ARG 45 2HH1 ARG 45 5.416 9.409 4.274 222 H ASP 46 H ASP 46 6.524 1.209 -0.683 223 HA ASP 46 HA ASP 46 5.264 -0.739 1.004 224 1HB ASP 46 1HB ASP 46 4.915 -1.896 -1.129 225 2HB ASP 46 2HB ASP 46 4.166 -0.308 -1.141 226 H GLU 47 H GLU 47 8.180 -0.022 -0.740 227 HA GLU 47 HA GLU 47 9.242 -2.702 -0.554 228 1HB GLU 47 1HB GLU 47 10.434 0.007 -1.200 229 2HB GLU 47 2HB GLU 47 11.413 -1.442 -1.196 230 1HG GLU 47 1HG GLU 47 8.838 -1.377 -2.779 231 2HG GLU 47 2HG GLU 47 10.290 -0.613 -3.389 232 H TRP 48 H TRP 48 9.353 0.141 1.322 233 HA TRP 48 HA TRP 48 11.827 -0.082 2.555 234 1HB TRP 48 1HB TRP 48 9.403 1.322 3.684 235 2HB TRP 48 2HB TRP 48 11.060 1.514 4.235 236 HD1 TRP 48 HD1 TRP 48 11.298 1.549 0.562 237 HE1 TRP 48 HE1 TRP 48 10.956 3.858 -0.419 238 HE3 TRP 48 HE3 TRP 48 9.779 3.865 4.770 239 HZ2 TRP 48 HZ2 TRP 48 10.277 6.575 0.615 240 HZ3 TRP 48 HZ3 TRP 48 9.316 6.358 4.810 241 HH2 TRP 48 HH2 TRP 48 9.580 7.684 2.727 242 H GLY 49 H GLY 49 12.520 -1.509 3.583 243 1HA GLY 49 1HA GLY 49 13.117 -2.853 5.452 244 2HA GLY 49 2HA GLY 49 11.654 -2.285 6.265 245 H CYS 50 H CYS 50 10.714 -3.531 3.235 246 HA CYS 50 HA CYS 50 9.202 -5.091 2.817 247 1HB CYS 50 1HB CYS 50 11.435 -5.634 2.070 248 2HB CYS 50 2HB CYS 50 11.796 -6.417 3.579 249 H GLY 51 H GLY 51 8.958 -4.421 5.625 250 1HA GLY 51 1HA GLY 51 6.941 -6.332 6.448 251 2HA GLY 51 2HA GLY 51 8.420 -6.560 7.381 Start of MODEL 3 1 H SER 10 H SER 10 -6.013 -1.163 5.920 2 HA SER 10 HA SER 10 -7.832 -3.286 6.815 3 1HB SER 10 1HB SER 10 -8.055 -0.426 7.868 4 2HB SER 10 2HB SER 10 -9.310 -1.669 8.016 5 HG SER 10 HG SER 10 -8.013 -1.518 9.903 6 H CYS 11 H CYS 11 -8.207 -3.698 4.825 7 HA CYS 11 HA CYS 11 -9.987 -2.048 3.205 8 1HB CYS 11 1HB CYS 11 -7.268 -1.857 2.943 9 2HB CYS 11 2HB CYS 11 -7.545 -3.228 1.906 10 HA PRO 12 HA PRO 12 -10.989 -6.448 2.159 11 1HB PRO 12 1HB PRO 12 -9.456 -6.711 -0.408 12 2HB PRO 12 2HB PRO 12 -11.184 -7.060 -0.111 13 1HG PRO 12 1HG PRO 12 -10.405 -4.849 -1.509 14 2HG PRO 12 2HG PRO 12 -11.788 -4.797 -0.369 15 1HD PRO 12 1HD PRO 12 -8.929 -3.932 0.112 16 2HD PRO 12 2HD PRO 12 -10.451 -3.069 0.492 17 HA PRO 13 HA PRO 13 -7.314 -8.596 3.503 18 1HB PRO 13 1HB PRO 13 -7.621 -11.216 2.788 19 2HB PRO 13 2HB PRO 13 -8.648 -10.441 4.035 20 1HG PRO 13 1HG PRO 13 -9.261 -10.830 1.095 21 2HG PRO 13 2HG PRO 13 -10.303 -11.243 2.497 22 1HD PRO 13 1HD PRO 13 -10.606 -8.925 1.107 23 2HD PRO 13 2HD PRO 13 -10.828 -8.959 2.883 24 H GLY 14 H GLY 14 -5.388 -9.179 2.936 25 1HA GLY 14 1HA GLY 14 -3.463 -9.094 1.714 26 2HA GLY 14 2HA GLY 14 -4.342 -9.734 0.330 27 H GLN 15 H GLN 15 -5.294 -6.591 1.788 28 HA GLN 15 HA GLN 15 -3.925 -5.078 -0.304 29 1HB GLN 15 1HB GLN 15 -6.860 -5.367 -0.010 30 2HB GLN 15 2HB GLN 15 -6.261 -3.717 -0.220 31 1HG GLN 15 1HG GLN 15 -5.243 -4.174 -2.291 32 2HG GLN 15 2HG GLN 15 -5.249 -5.923 -2.027 33 1HE2 GLN 15 1HE2 GLN 15 -7.355 -7.019 -1.928 34 2HE2 GLN 15 2HE2 GLN 15 -8.558 -6.442 -3.079 35 H PHE 16 H PHE 16 -2.950 -3.461 0.527 36 HA PHE 16 HA PHE 16 -3.809 -2.225 3.150 37 1HB PHE 16 1HB PHE 16 -1.616 -2.112 3.950 38 2HB PHE 16 2HB PHE 16 -1.692 -3.709 3.241 39 HD1 PHE 16 HD1 PHE 16 0.055 -0.545 3.280 40 HD2 PHE 16 HD2 PHE 16 -0.832 -3.927 0.799 41 HE1 PHE 16 HE1 PHE 16 1.815 0.163 1.702 42 HE2 PHE 16 HE2 PHE 16 1.006 -3.304 -0.732 43 HZ PHE 16 HZ PHE 16 2.295 -1.275 -0.357 44 H ARG 17 H ARG 17 -3.092 0.073 3.475 45 HA ARG 17 HA ARG 17 -2.870 1.554 0.891 46 1HB ARG 17 1HB ARG 17 -3.751 3.480 1.984 47 2HB ARG 17 2HB ARG 17 -4.846 2.087 2.120 48 1HG ARG 17 1HG ARG 17 -4.123 1.756 4.483 49 2HG ARG 17 2HG ARG 17 -3.049 3.153 4.344 50 1HD ARG 17 1HD ARG 17 -5.123 3.796 5.475 51 2HD ARG 17 2HD ARG 17 -4.959 4.636 3.937 52 HE ARG 17 HE ARG 17 -6.877 3.600 3.148 53 1HH1 ARG 17 2HH2 ARG 17 -6.028 1.818 6.065 54 2HH1 ARG 17 1HH2 ARG 17 -7.488 0.848 5.901 55 1HH2 ARG 17 1HH1 ARG 17 -8.579 2.313 3.058 56 2HH2 ARG 17 2HH1 ARG 17 -8.790 1.021 4.245 57 H CYS 18 H CYS 18 -1.555 3.181 0.589 58 HA CYS 18 HA CYS 18 1.117 2.764 1.743 59 1HB CYS 18 1HB CYS 18 -0.049 3.957 -0.766 60 2HB CYS 18 2HB CYS 18 1.599 4.349 -0.289 61 H SER 19 H SER 19 0.187 5.704 0.386 62 HA SER 19 HA SER 19 1.550 7.150 2.606 63 1HB SER 19 1HB SER 19 1.454 7.864 -0.349 64 2HB SER 19 2HB SER 19 2.420 8.681 0.896 65 HG SER 19 HG SER 19 2.968 6.427 -0.488 66 H GLU 20 H GLU 20 -1.082 6.731 2.655 67 HA GLU 20 HA GLU 20 -2.057 9.462 3.278 68 1HB GLU 20 1HB GLU 20 -2.968 8.895 1.098 69 2HB GLU 20 2HB GLU 20 -3.694 7.424 1.741 70 1HG GLU 20 1HG GLU 20 -5.199 8.715 3.164 71 2HG GLU 20 2HG GLU 20 -4.339 10.211 2.788 72 HA PRO 21 HA PRO 21 -2.569 7.039 7.026 73 1HB PRO 21 1HB PRO 21 -3.463 8.999 8.738 74 2HB PRO 21 2HB PRO 21 -1.792 8.949 8.099 75 1HG PRO 21 1HG PRO 21 -4.153 10.534 7.026 76 2HG PRO 21 2HG PRO 21 -2.512 11.138 7.433 77 1HD PRO 21 1HD PRO 21 -3.175 10.465 4.887 78 2HD PRO 21 2HD PRO 21 -1.556 10.082 5.544 79 HA PRO 22 HA PRO 22 -6.871 5.906 7.477 80 1HB PRO 22 1HB PRO 22 -7.202 5.367 10.152 81 2HB PRO 22 2HB PRO 22 -6.266 4.324 9.037 82 1HG PRO 22 1HG PRO 22 -5.211 6.500 10.872 83 2HG PRO 22 2HG PRO 22 -4.651 4.805 10.713 84 1HD PRO 22 1HD PRO 22 -3.398 6.826 9.411 85 2HD PRO 22 2HD PRO 22 -3.638 5.248 8.607 86 H GLY 23 H GLY 23 -8.880 6.436 8.752 87 1HA GLY 23 1HA GLY 23 -10.533 8.057 9.142 88 2HA GLY 23 2HA GLY 23 -9.280 9.258 9.455 89 H ALA 24 H ALA 24 -8.251 8.106 6.673 90 HA ALA 24 HA ALA 24 -10.177 9.310 4.777 91 1HB ALA 24 1HB ALA 24 -7.171 9.844 4.812 92 2HB ALA 24 2HB ALA 24 -8.295 10.336 3.527 93 3HB ALA 24 3HB ALA 24 -8.456 11.021 5.156 94 H HIS 25 H HIS 25 -10.815 7.114 4.563 95 HA HIS 25 HA HIS 25 -9.336 4.863 4.421 96 1HB HIS 25 1HB HIS 25 -11.952 5.460 2.972 97 2HB HIS 25 2HB HIS 25 -11.347 3.870 3.383 98 HD1 HIS 25 HD1 HIS 25 -10.878 3.656 6.282 99 HD2 HIS 25 HD2 HIS 25 -13.702 6.363 4.666 100 HE1 HIS 25 HE1 HIS 25 -12.484 4.277 8.201 101 HE2 HIS 25 HE2 HIS 25 -14.199 5.922 7.212 102 H GLY 26 H GLY 26 -10.046 6.824 1.694 103 1HA GLY 26 1HA GLY 26 -9.107 7.015 -0.448 104 2HA GLY 26 2HA GLY 26 -7.661 6.384 0.339 105 H GLU 27 H GLU 27 -6.933 5.271 -1.364 106 HA GLU 27 HA GLU 27 -8.265 2.697 -2.065 107 1HB GLU 27 1HB GLU 27 -8.793 4.358 -3.872 108 2HB GLU 27 2HB GLU 27 -7.062 4.625 -4.119 109 1HG GLU 27 1HG GLU 27 -6.774 2.263 -4.780 110 2HG GLU 27 2HG GLU 27 -8.470 1.933 -4.414 111 H CYS 28 H CYS 28 -7.235 1.291 -1.386 112 HA CYS 28 HA CYS 28 -4.538 1.131 -0.622 113 1HB CYS 28 1HB CYS 28 -6.668 -0.960 -1.176 114 2HB CYS 28 2HB CYS 28 -5.336 -1.108 -0.099 115 H TYR 29 H TYR 29 -3.522 -1.135 -1.258 116 HA TYR 29 HA TYR 29 -3.479 -1.736 -4.128 117 1HB TYR 29 1HB TYR 29 -0.976 -0.978 -2.545 118 2HB TYR 29 2HB TYR 29 -0.967 -1.564 -4.187 119 HD1 TYR 29 HD1 TYR 29 -1.271 1.300 -1.992 120 HD2 TYR 29 HD2 TYR 29 -1.837 -0.015 -6.069 121 HE1 TYR 29 HE1 TYR 29 -1.370 3.676 -2.762 122 HE2 TYR 29 HE2 TYR 29 -1.920 2.338 -6.818 123 HH TYR 29 HH TYR 29 -1.833 4.539 -6.202 124 HA PRO 30 HA PRO 30 -3.063 -5.818 -2.472 125 1HB PRO 30 1HB PRO 30 -0.928 -6.462 -4.435 126 2HB PRO 30 2HB PRO 30 -2.481 -7.295 -4.145 127 1HG PRO 30 1HG PRO 30 -2.105 -5.719 -6.356 128 2HG PRO 30 2HG PRO 30 -3.666 -5.709 -5.472 129 1HD PRO 30 1HD PRO 30 -1.377 -3.741 -5.257 130 2HD PRO 30 2HD PRO 30 -3.127 -3.416 -5.411 131 H GLN 31 H GLN 31 -1.836 -6.952 -1.047 132 HA GLN 31 HA GLN 31 0.781 -5.883 -0.165 133 1HB GLN 31 1HB GLN 31 -0.823 -8.347 0.699 134 2HB GLN 31 2HB GLN 31 0.683 -7.834 1.466 135 1HG GLN 31 1HG GLN 31 -0.291 -5.787 2.265 136 2HG GLN 31 2HG GLN 31 -1.768 -6.036 1.333 137 1HE2 GLN 31 2HE2 GLN 31 -0.002 -8.401 3.490 138 2HE2 GLN 31 1HE2 GLN 31 -1.408 -8.603 4.528 139 H ASP 32 H ASP 32 -0.092 -7.820 -2.675 140 HA ASP 32 HA ASP 32 2.370 -9.286 -3.019 141 1HB ASP 32 1HB ASP 32 0.103 -9.387 -4.337 142 2HB ASP 32 2HB ASP 32 0.650 -7.957 -5.163 143 H TRP 33 H TRP 33 1.269 -6.106 -3.468 144 HA TRP 33 HA TRP 33 3.874 -4.992 -4.244 145 1HB TRP 33 1HB TRP 33 1.277 -3.496 -4.006 146 2HB TRP 33 2HB TRP 33 2.782 -2.949 -4.691 147 HD1 TRP 33 HD1 TRP 33 2.144 -6.260 -6.198 148 HE1 TRP 33 HE1 TRP 33 0.894 -6.102 -8.423 149 HE3 TRP 33 HE3 TRP 33 0.862 -1.302 -6.052 150 HZ2 TRP 33 HZ2 TRP 33 -0.619 -4.136 -9.881 151 HZ3 TRP 33 HZ3 TRP 33 -0.475 -0.309 -7.906 152 HH2 TRP 33 HH2 TRP 33 -1.272 -1.722 -9.778 153 H LEU 34 H LEU 34 3.699 -6.133 -1.948 154 HA LEU 34 HA LEU 34 4.801 -3.953 -0.257 155 1HB LEU 34 1HB LEU 34 2.546 -4.754 0.660 156 2HB LEU 34 2HB LEU 34 3.270 -6.333 0.875 157 HG LEU 34 HG LEU 34 5.036 -5.200 2.357 158 1HD1 LEU 34 1HD1 LEU 34 2.963 -2.972 2.394 159 2HD1 LEU 34 2HD1 LEU 34 4.446 -3.066 3.369 160 3HD1 LEU 34 3HD1 LEU 34 4.549 -2.852 1.616 161 1HD2 LEU 34 1HD2 LEU 34 2.103 -5.117 3.213 162 2HD2 LEU 34 2HD2 LEU 34 3.166 -6.543 3.264 163 3HD2 LEU 34 3HD2 LEU 34 3.502 -5.152 4.309 164 H CYS 35 H CYS 35 6.902 -4.284 -0.505 165 HA CYS 35 HA CYS 35 8.855 -5.069 -1.098 166 1HB CYS 35 1HB CYS 35 8.901 -5.724 1.013 167 2HB CYS 35 2HB CYS 35 8.034 -7.216 0.787 168 H ASP 36 H ASP 36 7.750 -5.067 -3.186 169 HA ASP 36 HA ASP 36 7.365 -7.715 -4.530 170 1HB ASP 36 1HB ASP 36 5.820 -5.800 -5.017 171 2HB ASP 36 2HB ASP 36 7.186 -4.899 -5.660 172 H GLY 37 H GLY 37 9.807 -5.443 -3.796 173 1HA GLY 37 1HA GLY 37 12.129 -5.567 -4.333 174 2HA GLY 37 2HA GLY 37 11.748 -6.586 -5.735 175 H HIS 38 H HIS 38 9.637 -4.169 -5.511 176 HA HIS 38 HA HIS 38 10.877 -2.136 -7.232 177 1HB HIS 38 1HB HIS 38 10.085 -3.696 -8.835 178 2HB HIS 38 2HB HIS 38 8.648 -4.066 -7.923 179 HD1 HIS 38 HD1 HIS 38 9.888 -1.125 -10.155 180 HD2 HIS 38 HD2 HIS 38 6.539 -2.614 -8.068 181 HE1 HIS 38 HE1 HIS 38 7.905 0.441 -10.707 182 HE2 HIS 38 HE2 HIS 38 5.845 -0.516 -9.468 183 HA PRO 39 HA PRO 39 8.149 -0.031 -4.257 184 1HB PRO 39 1HB PRO 39 8.516 2.565 -5.197 185 2HB PRO 39 2HB PRO 39 9.397 1.728 -3.917 186 1HG PRO 39 1HG PRO 39 10.380 2.447 -6.597 187 2HG PRO 39 2HG PRO 39 11.297 1.744 -5.234 188 1HD PRO 39 1HD PRO 39 10.198 0.418 -7.614 189 2HD PRO 39 2HD PRO 39 11.331 -0.236 -6.409 190 H ASP 40 H ASP 40 6.110 0.923 -4.312 191 HA ASP 40 HA ASP 40 5.115 2.096 -6.845 192 1HB ASP 40 1HB ASP 40 4.609 -0.620 -6.459 193 2HB ASP 40 2HB ASP 40 3.146 0.123 -5.838 194 H CYS 41 H CYS 41 5.515 2.432 -3.673 195 HA CYS 41 HA CYS 41 2.840 2.836 -2.851 196 1HB CYS 41 1HB CYS 41 5.270 2.606 -1.551 197 2HB CYS 41 2HB CYS 41 4.524 4.065 -0.939 198 H ASP 42 H ASP 42 3.730 4.619 -4.876 199 HA ASP 42 HA ASP 42 4.363 6.661 -5.564 200 1HB ASP 42 1HB ASP 42 1.867 6.962 -5.242 201 2HB ASP 42 2HB ASP 42 2.212 7.749 -3.704 202 H ASP 43 H ASP 43 5.014 5.938 -2.537 203 HA ASP 43 HA ASP 43 7.263 7.823 -2.464 204 1HB ASP 43 1HB ASP 43 5.408 8.022 -0.650 205 2HB ASP 43 2HB ASP 43 6.151 6.574 -0.002 206 H GLY 44 H GLY 44 6.400 4.819 -3.061 207 1HA GLY 44 1HA GLY 44 7.580 2.726 -3.142 208 2HA GLY 44 2HA GLY 44 9.055 3.611 -2.813 209 H ARG 45 H ARG 45 6.460 3.702 -0.622 210 HA ARG 45 HA ARG 45 8.227 2.612 1.525 211 1HB ARG 45 1HB ARG 45 6.832 3.566 3.187 212 2HB ARG 45 2HB ARG 45 7.225 4.809 2.008 213 1HG ARG 45 1HG ARG 45 4.978 4.673 1.042 214 2HG ARG 45 2HG ARG 45 4.588 3.284 2.073 215 1HD ARG 45 1HD ARG 45 3.556 5.232 2.993 216 2HD ARG 45 2HD ARG 45 4.855 4.714 4.079 217 HE ARG 45 HE ARG 45 5.834 6.715 2.242 218 1HH1 ARG 45 2HH1 ARG 45 3.697 6.570 5.009 219 2HH1 ARG 45 1HH1 ARG 45 4.022 8.233 5.437 220 1HH2 ARG 45 1HH2 ARG 45 6.239 8.711 2.833 221 2HH2 ARG 45 2HH2 ARG 45 5.432 9.449 4.215 222 H ASP 46 H ASP 46 6.479 1.191 -0.688 223 HA ASP 46 HA ASP 46 5.226 -0.767 0.995 224 1HB ASP 46 1HB ASP 46 4.931 -1.942 -1.139 225 2HB ASP 46 2HB ASP 46 4.142 -0.373 -1.159 226 H GLU 47 H GLU 47 8.146 -0.021 -0.726 227 HA GLU 47 HA GLU 47 9.246 -2.681 -0.524 228 1HB GLU 47 1HB GLU 47 10.407 0.047 -1.151 229 2HB GLU 47 2HB GLU 47 11.405 -1.388 -1.140 230 1HG GLU 47 1HG GLU 47 8.848 -1.349 -2.756 231 2HG GLU 47 2HG GLU 47 10.301 -0.575 -3.348 232 H TRP 48 H TRP 48 9.295 0.162 1.354 233 HA TRP 48 HA TRP 48 11.748 -0.026 2.628 234 1HB TRP 48 1HB TRP 48 9.283 1.331 3.721 235 2HB TRP 48 2HB TRP 48 10.925 1.550 4.300 236 HD1 TRP 48 HD1 TRP 48 11.219 1.602 0.630 237 HE1 TRP 48 HE1 TRP 48 10.852 3.909 -0.347 238 HE3 TRP 48 HE3 TRP 48 9.600 3.876 4.824 239 HZ2 TRP 48 HZ2 TRP 48 10.100 6.605 0.681 240 HZ3 TRP 48 HZ3 TRP 48 9.086 6.360 4.863 241 HH2 TRP 48 HH2 TRP 48 9.353 7.697 2.788 242 H GLY 49 H GLY 49 12.444 -1.450 3.658 243 1HA GLY 49 1HA GLY 49 13.034 -2.798 5.525 244 2HA GLY 49 2HA GLY 49 11.560 -2.242 6.327 245 H CYS 50 H CYS 50 10.685 -3.502 3.272 246 HA CYS 50 HA CYS 50 9.165 -5.073 2.855 247 1HB CYS 50 1HB CYS 50 11.408 -5.603 2.114 248 2HB CYS 50 2HB CYS 50 11.764 -6.387 3.624 249 H GLY 51 H GLY 51 8.775 -4.345 5.546 250 1HA GLY 51 1HA GLY 51 6.761 -6.101 6.458 251 2HA GLY 51 2HA GLY 51 8.235 -6.603 7.284 Start of MODEL 4 1 H SER 10 H SER 10 -6.549 -0.378 4.992 2 HA SER 10 HA SER 10 -7.377 -2.751 6.451 3 1HB SER 10 1HB SER 10 -9.011 -1.553 7.873 4 2HB SER 10 2HB SER 10 -7.332 -1.300 8.355 5 HG SER 10 HG SER 10 -8.683 0.609 8.347 6 H CYS 11 H CYS 11 -8.094 -3.537 4.633 7 HA CYS 11 HA CYS 11 -10.127 -2.223 2.974 8 1HB CYS 11 1HB CYS 11 -7.383 -1.950 2.573 9 2HB CYS 11 2HB CYS 11 -7.718 -3.365 1.616 10 HA PRO 12 HA PRO 12 -10.965 -6.654 2.376 11 1HB PRO 12 1HB PRO 12 -9.682 -7.073 -0.315 12 2HB PRO 12 2HB PRO 12 -11.374 -7.404 0.163 13 1HG PRO 12 1HG PRO 12 -10.736 -5.282 -1.435 14 2HG PRO 12 2HG PRO 12 -12.013 -5.159 -0.179 15 1HD PRO 12 1HD PRO 12 -9.118 -4.289 0.002 16 2HD PRO 12 2HD PRO 12 -10.588 -3.372 0.442 17 HA PRO 13 HA PRO 13 -7.208 -8.664 3.581 18 1HB PRO 13 1HB PRO 13 -7.444 -11.323 2.977 19 2HB PRO 13 2HB PRO 13 -8.436 -10.530 4.244 20 1HG PRO 13 1HG PRO 13 -9.173 -11.055 1.356 21 2HG PRO 13 2HG PRO 13 -10.133 -11.448 2.822 22 1HD PRO 13 1HD PRO 13 -10.594 -9.201 1.369 23 2HD PRO 13 2HD PRO 13 -10.707 -9.163 3.156 24 H GLY 14 H GLY 14 -5.290 -9.166 2.968 25 1HA GLY 14 1HA GLY 14 -3.413 -9.157 1.659 26 2HA GLY 14 2HA GLY 14 -4.357 -9.770 0.308 27 H GLN 15 H GLN 15 -5.314 -6.637 1.763 28 HA GLN 15 HA GLN 15 -3.935 -5.114 -0.318 29 1HB GLN 15 1HB GLN 15 -6.883 -5.377 0.001 30 2HB GLN 15 2HB GLN 15 -6.237 -3.767 -0.339 31 1HG GLN 15 1HG GLN 15 -5.303 -4.378 -2.391 32 2HG GLN 15 2HG GLN 15 -5.263 -6.098 -1.993 33 1HE2 GLN 15 1HE2 GLN 15 -7.325 -7.262 -1.792 34 2HE2 GLN 15 2HE2 GLN 15 -8.565 -6.777 -2.944 35 H PHE 16 H PHE 16 -2.991 -3.475 0.535 36 HA PHE 16 HA PHE 16 -3.877 -2.267 3.167 37 1HB PHE 16 1HB PHE 16 -1.683 -2.105 3.947 38 2HB PHE 16 2HB PHE 16 -1.742 -3.705 3.244 39 HD1 PHE 16 HD1 PHE 16 -0.011 -0.545 3.291 40 HD2 PHE 16 HD2 PHE 16 -0.874 -3.920 0.795 41 HE1 PHE 16 HE1 PHE 16 1.761 0.173 1.720 42 HE2 PHE 16 HE2 PHE 16 0.960 -3.279 -0.731 43 HZ PHE 16 HZ PHE 16 2.252 -1.251 -0.335 44 H ARG 17 H ARG 17 -3.185 0.049 3.505 45 HA ARG 17 HA ARG 17 -3.031 1.552 0.918 46 1HB ARG 17 1HB ARG 17 -3.815 3.491 2.002 47 2HB ARG 17 2HB ARG 17 -4.912 2.132 2.338 48 1HG ARG 17 1HG ARG 17 -3.893 1.925 4.626 49 2HG ARG 17 2HG ARG 17 -2.849 3.307 4.263 50 1HD ARG 17 1HD ARG 17 -4.708 4.127 5.552 51 2HD ARG 17 2HD ARG 17 -4.859 4.727 3.906 52 HE ARG 17 HE ARG 17 -6.793 3.487 3.575 53 1HH1 ARG 17 2HH1 ARG 17 -5.407 2.403 6.628 54 2HH1 ARG 17 1HH1 ARG 17 -6.846 1.454 6.974 55 1HH2 ARG 17 2HH2 ARG 17 -8.465 2.164 4.085 56 2HH2 ARG 17 1HH2 ARG 17 -8.451 1.290 5.604 57 H CYS 18 H CYS 18 -1.666 3.132 0.514 58 HA CYS 18 HA CYS 18 1.035 2.771 1.638 59 1HB CYS 18 1HB CYS 18 -0.167 3.930 -0.869 60 2HB CYS 18 2HB CYS 18 1.480 4.347 -0.409 61 H SER 19 H SER 19 0.064 5.683 0.258 62 HA SER 19 HA SER 19 1.491 7.162 2.389 63 1HB SER 19 1HB SER 19 2.135 8.711 0.481 64 2HB SER 19 2HB SER 19 2.704 7.045 0.342 65 HG SER 19 HG SER 19 1.738 6.982 -1.484 66 H GLU 20 H GLU 20 -1.143 6.746 2.553 67 HA GLU 20 HA GLU 20 -2.074 9.481 3.269 68 1HB GLU 20 1HB GLU 20 -3.074 8.855 1.058 69 2HB GLU 20 2HB GLU 20 -3.835 7.477 1.824 70 1HG GLU 20 1HG GLU 20 -5.553 9.040 1.808 71 2HG GLU 20 2HG GLU 20 -4.927 9.236 3.440 72 HA PRO 21 HA PRO 21 -2.486 6.816 6.900 73 1HB PRO 21 1HB PRO 21 -3.098 8.690 8.814 74 2HB PRO 21 2HB PRO 21 -1.480 8.552 8.063 75 1HG PRO 21 1HG PRO 21 -3.747 10.415 7.272 76 2HG PRO 21 2HG PRO 21 -2.036 10.842 7.612 77 1HD PRO 21 1HD PRO 21 -2.922 10.435 5.079 78 2HD PRO 21 2HD PRO 21 -1.299 9.875 5.580 79 HA PRO 22 HA PRO 22 -6.755 5.779 7.661 80 1HB PRO 22 1HB PRO 22 -6.215 6.157 10.612 81 2HB PRO 22 2HB PRO 22 -7.066 4.811 9.785 82 1HG PRO 22 1HG PRO 22 -4.530 4.506 10.559 83 2HG PRO 22 2HG PRO 22 -5.014 3.950 8.922 84 1HD PRO 22 1HD PRO 22 -3.588 6.515 9.690 85 2HD PRO 22 2HD PRO 22 -3.229 5.381 8.352 86 H GLY 23 H GLY 23 -8.735 6.398 8.749 87 1HA GLY 23 1HA GLY 23 -10.482 7.937 9.049 88 2HA GLY 23 2HA GLY 23 -9.300 9.199 9.388 89 H ALA 24 H ALA 24 -7.915 8.554 6.778 90 HA ALA 24 HA ALA 24 -9.887 9.458 4.731 91 1HB ALA 24 1HB ALA 24 -7.958 10.459 3.542 92 2HB ALA 24 2HB ALA 24 -8.199 11.189 5.141 93 3HB ALA 24 3HB ALA 24 -6.892 10.012 4.892 94 H HIS 25 H HIS 25 -10.412 7.149 4.845 95 HA HIS 25 HA HIS 25 -8.802 4.996 4.708 96 1HB HIS 25 1HB HIS 25 -11.587 5.366 3.525 97 2HB HIS 25 2HB HIS 25 -10.841 3.822 3.867 98 HD1 HIS 25 HD1 HIS 25 -10.050 3.612 6.671 99 HD2 HIS 25 HD2 HIS 25 -13.167 6.196 5.429 100 HE1 HIS 25 HE1 HIS 25 -11.457 4.133 8.768 101 HE2 HIS 25 HE2 HIS 25 -13.346 5.708 8.006 102 H GLY 26 H GLY 26 -9.829 6.746 1.941 103 1HA GLY 26 1HA GLY 26 -8.972 6.928 -0.224 104 2HA GLY 26 2HA GLY 26 -7.497 6.252 0.470 105 H GLU 27 H GLU 27 -7.017 5.247 -1.429 106 HA GLU 27 HA GLU 27 -8.422 2.679 -2.003 107 1HB GLU 27 1HB GLU 27 -9.041 4.364 -3.748 108 2HB GLU 27 2HB GLU 27 -7.321 4.598 -4.113 109 1HG GLU 27 1HG GLU 27 -7.131 2.235 -4.806 110 2HG GLU 27 2HG GLU 27 -8.801 1.939 -4.310 111 H CYS 28 H CYS 28 -7.381 1.254 -1.441 112 HA CYS 28 HA CYS 28 -4.712 1.084 -0.647 113 1HB CYS 28 1HB CYS 28 -6.743 -1.079 -1.290 114 2HB CYS 28 2HB CYS 28 -5.534 -1.112 -0.056 115 H TYR 29 H TYR 29 -3.617 -1.158 -1.254 116 HA TYR 29 HA TYR 29 -3.538 -1.772 -4.122 117 1HB TYR 29 1HB TYR 29 -1.068 -0.956 -2.514 118 2HB TYR 29 2HB TYR 29 -1.024 -1.572 -4.146 119 HD1 TYR 29 HD1 TYR 29 -1.445 1.334 -2.012 120 HD2 TYR 29 HD2 TYR 29 -1.868 -0.086 -6.072 121 HE1 TYR 29 HE1 TYR 29 -1.573 3.688 -2.841 122 HE2 TYR 29 HE2 TYR 29 -1.980 2.247 -6.877 123 HH TYR 29 HH TYR 29 -1.953 4.461 -6.313 124 HA PRO 30 HA PRO 30 -3.080 -5.844 -2.453 125 1HB PRO 30 1HB PRO 30 -0.948 -6.469 -4.426 126 2HB PRO 30 2HB PRO 30 -2.492 -7.314 -4.128 127 1HG PRO 30 1HG PRO 30 -2.142 -5.739 -6.344 128 2HG PRO 30 2HG PRO 30 -3.697 -5.739 -5.450 129 1HD PRO 30 1HD PRO 30 -1.421 -3.755 -5.246 130 2HD PRO 30 2HD PRO 30 -3.172 -3.441 -5.400 131 H GLN 31 H GLN 31 -1.820 -6.965 -1.033 132 HA GLN 31 HA GLN 31 0.775 -5.858 -0.150 133 1HB GLN 31 1HB GLN 31 -0.784 -8.355 0.692 134 2HB GLN 31 2HB GLN 31 0.704 -7.814 1.470 135 1HG GLN 31 1HG GLN 31 -0.317 -5.799 2.286 136 2HG GLN 31 2HG GLN 31 -1.781 -6.063 1.337 137 1HE2 GLN 31 1HE2 GLN 31 -0.009 -8.454 3.459 138 2HE2 GLN 31 2HE2 GLN 31 -1.419 -8.683 4.488 139 H ASP 32 H ASP 32 -0.077 -7.804 -2.663 140 HA ASP 32 HA ASP 32 2.388 -9.261 -3.009 141 1HB ASP 32 1HB ASP 32 0.122 -9.359 -4.329 142 2HB ASP 32 2HB ASP 32 0.670 -7.929 -5.152 143 H TRP 33 H TRP 33 1.284 -6.083 -3.446 144 HA TRP 33 HA TRP 33 3.891 -4.963 -4.205 145 1HB TRP 33 1HB TRP 33 1.294 -3.470 -3.983 146 2HB TRP 33 2HB TRP 33 2.800 -2.927 -4.669 147 HD1 TRP 33 HD1 TRP 33 2.160 -6.241 -6.171 148 HE1 TRP 33 HE1 TRP 33 0.894 -6.093 -8.386 149 HE3 TRP 33 HE3 TRP 33 0.882 -1.279 -6.041 150 HZ2 TRP 33 HZ2 TRP 33 -0.635 -4.137 -9.838 151 HZ3 TRP 33 HZ3 TRP 33 -0.467 -0.297 -7.890 152 HH2 TRP 33 HH2 TRP 33 -1.286 -1.722 -9.744 153 H LEU 34 H LEU 34 3.711 -6.106 -1.916 154 HA LEU 34 HA LEU 34 4.791 -3.921 -0.216 155 1HB LEU 34 1HB LEU 34 2.532 -4.722 0.685 156 2HB LEU 34 2HB LEU 34 3.257 -6.301 0.911 157 HG LEU 34 HG LEU 34 5.010 -5.159 2.402 158 1HD1 LEU 34 1HD1 LEU 34 2.933 -2.934 2.406 159 2HD1 LEU 34 2HD1 LEU 34 4.401 -3.023 3.405 160 3HD1 LEU 34 3HD1 LEU 34 4.531 -2.816 1.652 161 1HD2 LEU 34 1HD2 LEU 34 2.073 -5.074 3.243 162 2HD2 LEU 34 2HD2 LEU 34 3.135 -6.502 3.298 163 3HD2 LEU 34 3HD2 LEU 34 3.471 -5.113 4.342 164 H CYS 35 H CYS 35 6.900 -4.249 -0.432 165 HA CYS 35 HA CYS 35 8.851 -5.025 -1.029 166 1HB CYS 35 1HB CYS 35 8.914 -5.659 1.092 167 2HB CYS 35 2HB CYS 35 8.050 -7.158 0.882 168 H ASP 36 H ASP 36 7.761 -5.046 -3.116 169 HA ASP 36 HA ASP 36 7.397 -7.707 -4.442 170 1HB ASP 36 1HB ASP 36 5.848 -5.800 -4.954 171 2HB ASP 36 2HB ASP 36 7.214 -4.902 -5.598 172 H GLY 37 H GLY 37 9.822 -5.414 -3.714 173 1HA GLY 37 1HA GLY 37 12.149 -5.531 -4.238 174 2HA GLY 37 2HA GLY 37 11.779 -6.563 -5.634 175 H HIS 38 H HIS 38 9.657 -4.156 -5.437 176 HA HIS 38 HA HIS 38 10.894 -2.134 -7.179 177 1HB HIS 38 1HB HIS 38 10.104 -3.718 -8.761 178 2HB HIS 38 2HB HIS 38 8.659 -4.064 -7.848 179 HD1 HIS 38 HD1 HIS 38 9.939 -1.160 -10.107 180 HD2 HIS 38 HD2 HIS 38 6.559 -2.599 -8.033 181 HE1 HIS 38 HE1 HIS 38 7.971 0.413 -10.698 182 HE2 HIS 38 HE2 HIS 38 5.895 -0.508 -9.459 183 HA PRO 39 HA PRO 39 8.143 -0.025 -4.212 184 1HB PRO 39 1HB PRO 39 8.588 2.569 -5.180 185 2HB PRO 39 2HB PRO 39 9.341 1.745 -3.811 186 1HG PRO 39 1HG PRO 39 10.648 2.446 -6.309 187 2HG PRO 39 2HG PRO 39 11.332 1.534 -4.932 188 1HD PRO 39 1HD PRO 39 10.215 0.518 -7.493 189 2HD PRO 39 2HD PRO 39 11.363 -0.263 -6.380 190 H ASP 40 H ASP 40 6.120 0.956 -4.306 191 HA ASP 40 HA ASP 40 5.158 2.097 -6.870 192 1HB ASP 40 1HB ASP 40 4.678 -0.609 -6.474 193 2HB ASP 40 2HB ASP 40 3.210 0.109 -5.837 194 H CYS 41 H CYS 41 5.497 2.458 -3.679 195 HA CYS 41 HA CYS 41 2.805 2.856 -2.927 196 1HB CYS 41 1HB CYS 41 5.207 2.665 -1.560 197 2HB CYS 41 2HB CYS 41 4.397 4.096 -0.960 198 H ASP 42 H ASP 42 3.741 4.639 -4.934 199 HA ASP 42 HA ASP 42 4.396 6.677 -5.615 200 1HB ASP 42 1HB ASP 42 1.897 6.991 -5.373 201 2HB ASP 42 2HB ASP 42 2.196 7.784 -3.827 202 H ASP 43 H ASP 43 4.941 5.966 -2.568 203 HA ASP 43 HA ASP 43 7.148 7.891 -2.331 204 1HB ASP 43 1HB ASP 43 5.209 7.970 -0.619 205 2HB ASP 43 2HB ASP 43 5.891 6.468 -0.031 206 H GLY 44 H GLY 44 6.359 4.865 -3.055 207 1HA GLY 44 1HA GLY 44 7.550 2.785 -3.130 208 2HA GLY 44 2HA GLY 44 9.013 3.674 -2.772 209 H ARG 45 H ARG 45 6.382 3.726 -0.613 210 HA ARG 45 HA ARG 45 8.151 2.664 1.550 211 1HB ARG 45 1HB ARG 45 6.740 3.598 3.193 212 2HB ARG 45 2HB ARG 45 7.059 4.851 2.002 213 1HG ARG 45 1HG ARG 45 4.808 4.601 1.068 214 2HG ARG 45 2HG ARG 45 4.509 3.184 2.085 215 1HD ARG 45 1HD ARG 45 3.368 5.005 3.062 216 2HD ARG 45 2HD ARG 45 4.740 4.624 4.108 217 HE ARG 45 HE ARG 45 5.634 6.678 2.380 218 1HH1 ARG 45 2HH2 ARG 45 3.116 6.441 4.804 219 2HH1 ARG 45 1HH2 ARG 45 3.256 8.138 5.200 220 1HH2 ARG 45 1HH1 ARG 45 5.774 8.686 2.895 221 2HH2 ARG 45 2HH1 ARG 45 4.738 9.419 4.119 222 H ASP 46 H ASP 46 6.421 1.222 -0.683 223 HA ASP 46 HA ASP 46 5.173 -0.749 0.988 224 1HB ASP 46 1HB ASP 46 4.935 -1.931 -1.158 225 2HB ASP 46 2HB ASP 46 4.099 -0.385 -1.168 226 H GLU 47 H GLU 47 8.111 0.028 -0.699 227 HA GLU 47 HA GLU 47 9.221 -2.628 -0.473 228 1HB GLU 47 1HB GLU 47 10.373 0.102 -1.107 229 2HB GLU 47 2HB GLU 47 11.381 -1.328 -1.071 230 1HG GLU 47 1HG GLU 47 8.838 -1.323 -2.710 231 2HG GLU 47 2HG GLU 47 10.291 -0.541 -3.294 232 H TRP 48 H TRP 48 9.232 0.219 1.399 233 HA TRP 48 HA TRP 48 11.698 0.075 2.640 234 1HB TRP 48 1HB TRP 48 9.224 1.390 3.764 235 2HB TRP 48 2HB TRP 48 10.867 1.633 4.331 236 HD1 TRP 48 HD1 TRP 48 11.134 1.697 0.659 237 HE1 TRP 48 HE1 TRP 48 10.731 4.004 -0.307 238 HE3 TRP 48 HE3 TRP 48 9.525 3.933 4.875 239 HZ2 TRP 48 HZ2 TRP 48 9.945 6.687 0.740 240 HZ3 TRP 48 HZ3 TRP 48 8.981 6.411 4.931 241 HH2 TRP 48 HH2 TRP 48 9.207 7.759 2.856 242 H GLY 49 H GLY 49 12.448 -1.327 3.644 243 1HA GLY 49 1HA GLY 49 13.116 -2.668 5.482 244 2HA GLY 49 2HA GLY 49 11.659 -2.141 6.331 245 H CYS 50 H CYS 50 10.702 -3.422 3.312 246 HA CYS 50 HA CYS 50 9.182 -5.027 2.951 247 1HB CYS 50 1HB CYS 50 11.422 -5.526 2.155 248 2HB CYS 50 2HB CYS 50 11.822 -6.296 3.660 249 H GLY 51 H GLY 51 8.908 -4.279 5.670 250 1HA GLY 51 1HA GLY 51 8.563 -6.510 7.482 251 2HA GLY 51 2HA GLY 51 7.948 -4.877 7.721 Start of MODEL 5 1 H SER 10 H SER 10 -6.652 -0.630 5.378 2 HA SER 10 HA SER 10 -8.375 -2.635 6.609 3 1HB SER 10 1HB SER 10 -10.036 -0.955 7.446 4 2HB SER 10 2HB SER 10 -8.524 -1.016 8.371 5 HG SER 10 HG SER 10 -9.242 1.122 7.943 6 H CYS 11 H CYS 11 -8.532 -3.457 4.685 7 HA CYS 11 HA CYS 11 -10.250 -2.291 2.654 8 1HB CYS 11 1HB CYS 11 -7.502 -1.840 2.681 9 2HB CYS 11 2HB CYS 11 -7.591 -3.306 1.747 10 HA PRO 12 HA PRO 12 -10.952 -6.662 2.159 11 1HB PRO 12 1HB PRO 12 -9.675 -7.070 -0.533 12 2HB PRO 12 2HB PRO 12 -11.363 -7.394 -0.047 13 1HG PRO 12 1HG PRO 12 -10.713 -5.249 -1.620 14 2HG PRO 12 2HG PRO 12 -11.983 -5.132 -0.358 15 1HD PRO 12 1HD PRO 12 -9.081 -4.279 -0.179 16 2HD PRO 12 2HD PRO 12 -10.543 -3.367 0.289 17 HA PRO 13 HA PRO 13 -7.292 -8.861 3.391 18 1HB PRO 13 1HB PRO 13 -8.313 -11.230 1.771 19 2HB PRO 13 2HB PRO 13 -7.637 -11.225 3.435 20 1HG PRO 13 1HG PRO 13 -10.309 -11.315 3.101 21 2HG PRO 13 2HG PRO 13 -9.601 -10.179 4.304 22 1HD PRO 13 1HD PRO 13 -10.566 -9.562 1.492 23 2HD PRO 13 2HD PRO 13 -10.868 -8.673 3.020 24 H GLY 14 H GLY 14 -5.362 -9.170 2.884 25 1HA GLY 14 1HA GLY 14 -3.390 -9.068 1.719 26 2HA GLY 14 2HA GLY 14 -4.200 -9.764 0.322 27 H GLN 15 H GLN 15 -5.348 -6.649 1.664 28 HA GLN 15 HA GLN 15 -3.906 -5.124 -0.384 29 1HB GLN 15 1HB GLN 15 -6.862 -5.334 -0.122 30 2HB GLN 15 2HB GLN 15 -6.172 -3.754 -0.493 31 1HG GLN 15 1HG GLN 15 -5.246 -4.436 -2.518 32 2HG GLN 15 2HG GLN 15 -5.194 -6.140 -2.060 33 1HE2 GLN 15 1HE2 GLN 15 -7.262 -7.311 -1.826 34 2HE2 GLN 15 2HE2 GLN 15 -8.480 -6.887 -3.025 35 H PHE 16 H PHE 16 -2.991 -3.478 0.414 36 HA PHE 16 HA PHE 16 -3.886 -2.184 3.002 37 1HB PHE 16 1HB PHE 16 -1.706 -2.002 3.806 38 2HB PHE 16 2HB PHE 16 -1.741 -3.619 3.138 39 HD1 PHE 16 HD1 PHE 16 -0.036 -0.440 3.132 40 HD2 PHE 16 HD2 PHE 16 -0.857 -3.869 0.695 41 HE1 PHE 16 HE1 PHE 16 1.754 0.247 1.572 42 HE2 PHE 16 HE2 PHE 16 1.002 -3.262 -0.813 43 HZ PHE 16 HZ PHE 16 2.278 -1.220 -0.449 44 H ARG 17 H ARG 17 -3.114 0.135 3.273 45 HA ARG 17 HA ARG 17 -3.017 1.571 0.653 46 1HB ARG 17 1HB ARG 17 -3.880 3.508 1.731 47 2HB ARG 17 2HB ARG 17 -4.948 2.108 1.992 48 1HG ARG 17 1HG ARG 17 -4.064 1.876 4.313 49 2HG ARG 17 2HG ARG 17 -3.009 3.269 4.041 50 1HD ARG 17 1HD ARG 17 -4.926 4.046 5.261 51 2HD ARG 17 2HD ARG 17 -5.008 4.693 3.629 52 HE ARG 17 HE ARG 17 -6.982 3.530 3.248 53 1HH1 ARG 17 2HH1 ARG 17 -5.653 2.184 6.220 54 2HH1 ARG 17 1HH1 ARG 17 -7.189 1.382 6.537 55 1HH2 ARG 17 2HH2 ARG 17 -8.722 2.423 3.696 56 2HH2 ARG 17 1HH2 ARG 17 -8.786 1.363 5.097 57 H CYS 18 H CYS 18 -1.683 3.165 0.240 58 HA CYS 18 HA CYS 18 1.004 2.890 1.426 59 1HB CYS 18 1HB CYS 18 -0.150 3.919 -1.154 60 2HB CYS 18 2HB CYS 18 1.478 4.381 -0.674 61 H SER 19 H SER 19 -0.048 5.731 -0.083 62 HA SER 19 HA SER 19 1.498 7.291 1.857 63 1HB SER 19 1HB SER 19 1.719 8.937 -0.031 64 2HB SER 19 2HB SER 19 2.241 7.303 -0.456 65 HG SER 19 HG SER 19 0.878 8.226 -2.066 66 H GLU 20 H GLU 20 -1.157 6.709 2.305 67 HA GLU 20 HA GLU 20 -2.096 9.341 3.320 68 1HB GLU 20 1HB GLU 20 -3.171 9.035 1.177 69 2HB GLU 20 2HB GLU 20 -3.844 7.489 1.675 70 1HG GLU 20 1HG GLU 20 -5.245 8.572 3.357 71 2HG GLU 20 2HG GLU 20 -4.404 10.108 3.134 72 HA PRO 21 HA PRO 21 -2.379 6.413 6.753 73 1HB PRO 21 1HB PRO 21 -2.768 8.175 8.815 74 2HB PRO 21 2HB PRO 21 -1.218 8.058 7.931 75 1HG PRO 21 1HG PRO 21 -3.493 10.022 7.466 76 2HG PRO 21 2HG PRO 21 -1.746 10.382 7.677 77 1HD PRO 21 1HD PRO 21 -2.898 10.155 5.207 78 2HD PRO 21 2HD PRO 21 -1.226 9.598 5.519 79 HA PRO 22 HA PRO 22 -6.664 5.632 7.831 80 1HB PRO 22 1HB PRO 22 -5.814 5.841 10.727 81 2HB PRO 22 2HB PRO 22 -6.867 4.614 9.950 82 1HG PRO 22 1HG PRO 22 -4.311 4.040 10.455 83 2HG PRO 22 2HG PRO 22 -5.001 3.605 8.855 84 1HD PRO 22 1HD PRO 22 -3.270 5.993 9.567 85 2HD PRO 22 2HD PRO 22 -3.144 4.890 8.162 86 H GLY 23 H GLY 23 -8.468 6.407 9.172 87 1HA GLY 23 1HA GLY 23 -9.998 8.136 9.638 88 2HA GLY 23 2HA GLY 23 -8.646 9.243 9.875 89 H ALA 24 H ALA 24 -7.869 8.129 7.015 90 HA ALA 24 HA ALA 24 -9.839 9.504 5.284 91 1HB ALA 24 1HB ALA 24 -7.979 11.069 5.581 92 2HB ALA 24 2HB ALA 24 -6.809 9.810 5.131 93 3HB ALA 24 3HB ALA 24 -7.974 10.416 3.931 94 H HIS 25 H HIS 25 -10.654 7.366 5.096 95 HA HIS 25 HA HIS 25 -9.362 5.018 4.868 96 1HB HIS 25 1HB HIS 25 -12.013 5.791 3.576 97 2HB HIS 25 2HB HIS 25 -11.503 4.167 3.984 98 HD1 HIS 25 HD1 HIS 25 -10.871 3.968 6.852 99 HD2 HIS 25 HD2 HIS 25 -13.580 6.857 5.356 100 HE1 HIS 25 HE1 HIS 25 -12.295 4.749 8.853 101 HE2 HIS 25 HE2 HIS 25 -13.940 6.505 7.937 102 H GLY 26 H GLY 26 -10.108 7.009 2.172 103 1HA GLY 26 1HA GLY 26 -9.352 7.079 -0.061 104 2HA GLY 26 2HA GLY 26 -7.877 6.423 0.642 105 H GLU 27 H GLU 27 -7.218 5.028 -0.849 106 HA GLU 27 HA GLU 27 -8.584 2.523 -1.201 107 1HB GLU 27 1HB GLU 27 -8.416 2.465 -3.627 108 2HB GLU 27 2HB GLU 27 -9.455 3.799 -3.144 109 1HG GLU 27 1HG GLU 27 -7.537 5.386 -3.485 110 2HG GLU 27 2HG GLU 27 -6.542 4.033 -4.027 111 H CYS 28 H CYS 28 -7.253 1.061 -2.233 112 HA CYS 28 HA CYS 28 -4.661 1.037 -0.877 113 1HB CYS 28 1HB CYS 28 -6.724 -1.096 -1.504 114 2HB CYS 28 2HB CYS 28 -5.460 -1.215 -0.343 115 H TYR 29 H TYR 29 -3.587 -1.213 -1.455 116 HA TYR 29 HA TYR 29 -3.460 -1.866 -4.305 117 1HB TYR 29 1HB TYR 29 -1.013 -1.002 -2.684 118 2HB TYR 29 2HB TYR 29 -0.937 -1.674 -4.293 119 HD1 TYR 29 HD1 TYR 29 -1.748 -0.261 -6.286 120 HD2 TYR 29 HD2 TYR 29 -1.400 1.307 -2.273 121 HE1 TYR 29 HE1 TYR 29 -1.847 2.051 -7.174 122 HE2 TYR 29 HE2 TYR 29 -1.511 3.623 -3.179 123 HH TYR 29 HH TYR 29 -1.694 4.927 -5.047 124 HA PRO 30 HA PRO 30 -3.005 -5.896 -2.533 125 1HB PRO 30 1HB PRO 30 -0.820 -6.570 -4.428 126 2HB PRO 30 2HB PRO 30 -2.377 -7.400 -4.161 127 1HG PRO 30 1HG PRO 30 -1.936 -5.876 -6.400 128 2HG PRO 30 2HG PRO 30 -3.527 -5.860 -5.568 129 1HD PRO 30 1HD PRO 30 -1.259 -3.869 -5.319 130 2HD PRO 30 2HD PRO 30 -3.002 -3.559 -5.551 131 H GLN 31 H GLN 31 -1.766 -6.966 -1.046 132 HA GLN 31 HA GLN 31 0.815 -5.829 -0.164 133 1HB GLN 31 1HB GLN 31 -0.747 -8.298 0.750 134 2HB GLN 31 2HB GLN 31 0.730 -7.718 1.525 135 1HG GLN 31 1HG GLN 31 -0.312 -5.676 2.244 136 2HG GLN 31 2HG GLN 31 -1.766 -5.993 1.296 137 1HE2 GLN 31 1HE2 GLN 31 0.026 -8.243 3.551 138 2HE2 GLN 31 2HE2 GLN 31 -1.390 -8.455 4.573 139 H ASP 32 H ASP 32 -0.003 -7.856 -2.627 140 HA ASP 32 HA ASP 32 2.474 -9.311 -2.891 141 1HB ASP 32 1HB ASP 32 0.226 -9.464 -4.239 142 2HB ASP 32 2HB ASP 32 0.784 -8.064 -5.106 143 H TRP 33 H TRP 33 1.356 -6.154 -3.446 144 HA TRP 33 HA TRP 33 3.968 -5.038 -4.202 145 1HB TRP 33 1HB TRP 33 1.360 -3.555 -4.055 146 2HB TRP 33 2HB TRP 33 2.873 -3.021 -4.731 147 HD1 TRP 33 HD1 TRP 33 2.244 -6.383 -6.154 148 HE1 TRP 33 HE1 TRP 33 1.039 -6.277 -8.405 149 HE3 TRP 33 HE3 TRP 33 1.006 -1.412 -6.171 150 HZ2 TRP 33 HZ2 TRP 33 -0.435 -4.342 -9.942 151 HZ3 TRP 33 HZ3 TRP 33 -0.291 -0.461 -8.076 152 HH2 TRP 33 HH2 TRP 33 -1.074 -1.922 -9.918 153 H LEU 34 H LEU 34 3.760 -6.125 -1.886 154 HA LEU 34 HA LEU 34 4.820 -3.897 -0.236 155 1HB LEU 34 1HB LEU 34 2.558 -4.679 0.677 156 2HB LEU 34 2HB LEU 34 3.287 -6.247 0.950 157 HG LEU 34 HG LEU 34 5.048 -5.031 2.397 158 1HD1 LEU 34 1HD1 LEU 34 4.472 -2.720 1.588 159 2HD1 LEU 34 2HD1 LEU 34 2.900 -2.871 2.386 160 3HD1 LEU 34 3HD1 LEU 34 4.394 -2.888 3.349 161 1HD2 LEU 34 1HD2 LEU 34 3.531 -4.987 4.353 162 2HD2 LEU 34 2HD2 LEU 34 2.121 -5.017 3.270 163 3HD2 LEU 34 3HD2 LEU 34 3.227 -6.409 3.342 164 H CYS 35 H CYS 35 6.929 -4.231 -0.442 165 HA CYS 35 HA CYS 35 8.896 -5.038 -0.970 166 1HB CYS 35 1HB CYS 35 8.898 -5.619 1.157 167 2HB CYS 35 2HB CYS 35 8.027 -7.118 0.965 168 H ASP 36 H ASP 36 7.820 -5.106 -3.077 169 HA ASP 36 HA ASP 36 7.467 -7.798 -4.344 170 1HB ASP 36 1HB ASP 36 5.917 -5.903 -4.907 171 2HB ASP 36 2HB ASP 36 7.285 -5.022 -5.570 172 H GLY 37 H GLY 37 9.884 -5.488 -3.650 173 1HA GLY 37 1HA GLY 37 12.214 -5.605 -4.168 174 2HA GLY 37 2HA GLY 37 11.851 -6.667 -5.543 175 H HIS 38 H HIS 38 9.721 -4.263 -5.395 176 HA HIS 38 HA HIS 38 10.948 -2.286 -7.194 177 1HB HIS 38 1HB HIS 38 10.142 -3.910 -8.729 178 2HB HIS 38 2HB HIS 38 8.701 -4.224 -7.799 179 HD1 HIS 38 HD1 HIS 38 9.987 -1.386 -10.138 180 HD2 HIS 38 HD2 HIS 38 6.609 -2.743 -8.008 181 HE1 HIS 38 HE1 HIS 38 8.032 0.190 -10.753 182 HE2 HIS 38 HE2 HIS 38 5.955 -0.682 -9.480 183 HA PRO 39 HA PRO 39 8.219 -0.104 -4.261 184 1HB PRO 39 1HB PRO 39 8.674 2.470 -5.266 185 2HB PRO 39 2HB PRO 39 9.452 1.655 -3.905 186 1HG PRO 39 1HG PRO 39 10.686 2.310 -6.462 187 2HG PRO 39 2HG PRO 39 11.421 1.463 -5.070 188 1HD PRO 39 1HD PRO 39 10.286 0.337 -7.569 189 2HD PRO 39 2HD PRO 39 11.431 -0.401 -6.424 190 H ASP 40 H ASP 40 6.198 0.897 -4.373 191 HA ASP 40 HA ASP 40 5.264 2.016 -6.959 192 1HB ASP 40 1HB ASP 40 4.707 -0.672 -6.486 193 2HB ASP 40 2HB ASP 40 3.257 0.110 -5.885 194 H CYS 41 H CYS 41 5.609 2.433 -3.778 195 HA CYS 41 HA CYS 41 2.911 2.874 -3.043 196 1HB CYS 41 1HB CYS 41 5.276 2.573 -1.657 197 2HB CYS 41 2HB CYS 41 4.578 4.063 -1.080 198 H ASP 42 H ASP 42 3.894 4.661 -5.020 199 HA ASP 42 HA ASP 42 4.543 6.717 -5.663 200 1HB ASP 42 1HB ASP 42 2.037 6.988 -5.422 201 2HB ASP 42 2HB ASP 42 2.325 7.769 -3.868 202 H ASP 43 H ASP 43 5.132 5.949 -2.631 203 HA ASP 43 HA ASP 43 7.385 7.822 -2.603 204 1HB ASP 43 1HB ASP 43 5.496 7.727 -0.576 205 2HB ASP 43 2HB ASP 43 6.754 6.646 0.001 206 H GLY 44 H GLY 44 6.495 4.805 -3.171 207 1HA GLY 44 1HA GLY 44 7.665 2.712 -3.224 208 2HA GLY 44 2HA GLY 44 9.149 3.581 -2.883 209 H ARG 45 H ARG 45 6.496 3.751 -0.761 210 HA ARG 45 HA ARG 45 8.179 2.704 1.472 211 1HB ARG 45 1HB ARG 45 6.622 3.687 3.043 212 2HB ARG 45 2HB ARG 45 7.270 4.892 1.944 213 1HG ARG 45 1HG ARG 45 5.216 5.041 0.714 214 2HG ARG 45 2HG ARG 45 4.525 3.640 1.554 215 1HD ARG 45 1HD ARG 45 5.343 6.200 2.966 216 2HD ARG 45 2HD ARG 45 3.722 5.934 2.297 217 HE ARG 45 HE ARG 45 4.055 3.700 3.827 218 1HH1 ARG 45 1HH1 ARG 45 4.303 7.088 4.670 219 2HH1 ARG 45 2HH1 ARG 45 3.829 6.795 6.325 220 1HH2 ARG 45 1HH2 ARG 45 3.468 3.397 5.923 221 2HH2 ARG 45 2HH2 ARG 45 3.364 4.759 7.004 222 H ASP 46 H ASP 46 6.492 1.243 -0.759 223 HA ASP 46 HA ASP 46 5.184 -0.661 0.945 224 1HB ASP 46 1HB ASP 46 4.920 -1.887 -1.161 225 2HB ASP 46 2HB ASP 46 4.145 -0.314 -1.242 226 H GLU 47 H GLU 47 8.153 0.023 -0.725 227 HA GLU 47 HA GLU 47 9.216 -2.647 -0.433 228 1HB GLU 47 1HB GLU 47 10.424 0.049 -1.111 229 2HB GLU 47 2HB GLU 47 11.400 -1.400 -1.044 230 1HG GLU 47 1HG GLU 47 8.877 -1.373 -2.710 231 2HG GLU 47 2HG GLU 47 10.347 -0.618 -3.291 232 H TRP 48 H TRP 48 9.255 0.248 1.356 233 HA TRP 48 HA TRP 48 11.674 0.070 2.706 234 1HB TRP 48 1HB TRP 48 9.199 1.506 3.674 235 2HB TRP 48 2HB TRP 48 10.829 1.719 4.294 236 HD1 TRP 48 HD1 TRP 48 11.255 1.621 0.644 237 HE1 TRP 48 HE1 TRP 48 10.971 3.894 -0.441 238 HE3 TRP 48 HE3 TRP 48 9.495 4.096 4.667 239 HZ2 TRP 48 HZ2 TRP 48 10.297 6.641 0.454 240 HZ3 TRP 48 HZ3 TRP 48 9.025 6.589 4.576 241 HH2 TRP 48 HH2 TRP 48 9.430 7.837 2.463 242 H GLY 49 H GLY 49 12.322 -1.317 3.808 243 1HA GLY 49 1HA GLY 49 12.836 -2.580 5.756 244 2HA GLY 49 2HA GLY 49 11.321 -2.011 6.467 245 H CYS 50 H CYS 50 10.562 -3.366 3.432 246 HA CYS 50 HA CYS 50 9.074 -4.958 3.006 247 1HB CYS 50 1HB CYS 50 11.345 -5.486 2.354 248 2HB CYS 50 2HB CYS 50 11.656 -6.232 3.892 249 H GLY 51 H GLY 51 8.641 -4.184 5.709 250 1HA GLY 51 1HA GLY 51 6.645 -6.080 6.557 251 2HA GLY 51 2HA GLY 51 8.095 -6.297 7.537 Start of MODEL 6 1 H SER 10 H SER 10 -6.847 -0.489 5.391 2 HA SER 10 HA SER 10 -8.560 -2.463 6.686 3 1HB SER 10 1HB SER 10 -10.215 -0.770 7.475 4 2HB SER 10 2HB SER 10 -8.699 -0.781 8.387 5 HG SER 10 HG SER 10 -9.411 1.327 7.914 6 H CYS 11 H CYS 11 -8.731 -3.353 4.794 7 HA CYS 11 HA CYS 11 -10.358 -2.207 2.672 8 1HB CYS 11 1HB CYS 11 -7.586 -1.858 2.779 9 2HB CYS 11 2HB CYS 11 -7.707 -3.334 1.871 10 HA PRO 12 HA PRO 12 -11.025 -6.657 2.247 11 1HB PRO 12 1HB PRO 12 -9.583 -7.073 -0.356 12 2HB PRO 12 2HB PRO 12 -11.296 -7.416 0.024 13 1HG PRO 12 1HG PRO 12 -10.586 -5.299 -1.551 14 2HG PRO 12 2HG PRO 12 -11.936 -5.182 -0.375 15 1HD PRO 12 1HD PRO 12 -9.066 -4.279 -0.025 16 2HD PRO 12 2HD PRO 12 -10.565 -3.371 0.314 17 HA PRO 13 HA PRO 13 -7.262 -8.598 3.629 18 1HB PRO 13 1HB PRO 13 -7.446 -11.263 3.039 19 2HB PRO 13 2HB PRO 13 -8.492 -10.477 4.265 20 1HG PRO 13 1HG PRO 13 -9.122 -11.036 1.356 21 2HG PRO 13 2HG PRO 13 -10.127 -11.428 2.791 22 1HD PRO 13 1HD PRO 13 -10.557 -9.199 1.295 23 2HD PRO 13 2HD PRO 13 -10.749 -9.151 3.076 24 H GLY 14 H GLY 14 -5.316 -9.111 3.083 25 1HA GLY 14 1HA GLY 14 -3.399 -9.059 1.840 26 2HA GLY 14 2HA GLY 14 -4.281 -9.723 0.471 27 H GLN 15 H GLN 15 -5.296 -6.581 1.874 28 HA GLN 15 HA GLN 15 -3.937 -5.071 -0.229 29 1HB GLN 15 1HB GLN 15 -6.876 -5.363 0.089 30 2HB GLN 15 2HB GLN 15 -6.257 -3.737 -0.233 31 1HG GLN 15 1HG GLN 15 -5.282 -4.334 -2.282 32 2HG GLN 15 2HG GLN 15 -5.259 -6.058 -1.897 33 1HE2 GLN 15 1HE2 GLN 15 -7.271 -7.258 -1.852 34 2HE2 GLN 15 2HE2 GLN 15 -8.529 -6.711 -2.953 35 H PHE 16 H PHE 16 -2.939 -3.472 0.613 36 HA PHE 16 HA PHE 16 -3.770 -2.248 3.253 37 1HB PHE 16 1HB PHE 16 -1.566 -2.095 3.990 38 2HB PHE 16 2HB PHE 16 -1.636 -3.695 3.287 39 HD1 PHE 16 HD1 PHE 16 0.101 -0.537 3.307 40 HD2 PHE 16 HD2 PHE 16 -0.819 -3.900 0.812 41 HE1 PHE 16 HE1 PHE 16 1.866 0.162 1.728 42 HE2 PHE 16 HE2 PHE 16 1.025 -3.288 -0.714 43 HZ PHE 16 HZ PHE 16 2.333 -1.270 -0.336 44 H ARG 17 H ARG 17 -2.961 0.071 3.557 45 HA ARG 17 HA ARG 17 -2.837 1.527 0.949 46 1HB ARG 17 1HB ARG 17 -3.745 3.444 1.969 47 2HB ARG 17 2HB ARG 17 -4.806 2.043 2.254 48 1HG ARG 17 1HG ARG 17 -3.983 1.894 4.593 49 2HG ARG 17 2HG ARG 17 -2.901 3.266 4.304 50 1HD ARG 17 1HD ARG 17 -4.868 4.077 5.457 51 2HD ARG 17 2HD ARG 17 -4.845 4.717 3.820 52 HE ARG 17 HE ARG 17 -6.784 3.527 3.291 53 1HH1 ARG 17 2HH2 ARG 17 -5.758 2.368 6.455 54 2HH1 ARG 17 1HH2 ARG 17 -7.299 1.539 6.653 55 1HH2 ARG 17 2HH1 ARG 17 -8.518 2.336 3.587 56 2HH2 ARG 17 1HH1 ARG 17 -8.744 1.417 5.066 57 H CYS 18 H CYS 18 -1.530 3.151 0.610 58 HA CYS 18 HA CYS 18 1.154 2.744 1.727 59 1HB CYS 18 1HB CYS 18 -0.052 3.936 -0.756 60 2HB CYS 18 2HB CYS 18 1.592 4.373 -0.300 61 H SER 19 H SER 19 0.191 5.705 0.440 62 HA SER 19 HA SER 19 1.552 7.132 2.684 63 1HB SER 19 1HB SER 19 1.545 7.849 -0.272 64 2HB SER 19 2HB SER 19 2.482 8.655 1.001 65 HG SER 19 HG SER 19 3.061 6.419 -0.384 66 H GLU 20 H GLU 20 -1.078 6.732 2.664 67 HA GLU 20 HA GLU 20 -2.060 9.472 3.241 68 1HB GLU 20 1HB GLU 20 -2.961 8.888 1.079 69 2HB GLU 20 2HB GLU 20 -3.643 7.393 1.705 70 1HG GLU 20 1HG GLU 20 -5.202 8.636 3.125 71 2HG GLU 20 2HG GLU 20 -4.398 10.158 2.731 72 HA PRO 21 HA PRO 21 -2.547 7.167 7.047 73 1HB PRO 21 1HB PRO 21 -3.575 9.136 8.677 74 2HB PRO 21 2HB PRO 21 -1.893 9.149 8.069 75 1HG PRO 21 1HG PRO 21 -4.312 10.571 6.899 76 2HG PRO 21 2HG PRO 21 -2.711 11.273 7.312 77 1HD PRO 21 1HD PRO 21 -3.281 10.482 4.781 78 2HD PRO 21 2HD PRO 21 -1.664 10.187 5.485 79 HA PRO 22 HA PRO 22 -6.792 5.829 7.528 80 1HB PRO 22 1HB PRO 22 -7.098 5.354 10.213 81 2HB PRO 22 2HB PRO 22 -6.091 4.332 9.142 82 1HG PRO 22 1HG PRO 22 -5.185 6.642 10.895 83 2HG PRO 22 2HG PRO 22 -4.527 4.977 10.820 84 1HD PRO 22 1HD PRO 22 -3.378 7.002 9.432 85 2HD PRO 22 2HD PRO 22 -3.522 5.380 8.698 86 H GLY 23 H GLY 23 -8.825 6.322 8.795 87 1HA GLY 23 1HA GLY 23 -10.540 7.883 9.142 88 2HA GLY 23 2HA GLY 23 -9.333 9.129 9.459 89 H ALA 24 H ALA 24 -8.229 8.043 6.691 90 HA ALA 24 HA ALA 24 -10.193 9.172 4.781 91 1HB ALA 24 1HB ALA 24 -8.489 10.908 5.151 92 2HB ALA 24 2HB ALA 24 -7.192 9.742 4.808 93 3HB ALA 24 3HB ALA 24 -8.325 10.215 3.525 94 H HIS 25 H HIS 25 -10.781 6.927 4.645 95 HA HIS 25 HA HIS 25 -9.207 4.744 4.508 96 1HB HIS 25 1HB HIS 25 -11.907 5.198 3.168 97 2HB HIS 25 2HB HIS 25 -11.207 3.637 3.534 98 HD1 HIS 25 HD1 HIS 25 -10.586 3.392 6.383 99 HD2 HIS 25 HD2 HIS 25 -13.598 6.016 4.976 100 HE1 HIS 25 HE1 HIS 25 -12.106 3.919 8.399 101 HE2 HIS 25 HE2 HIS 25 -13.933 5.514 7.537 102 H GLY 26 H GLY 26 -10.101 6.600 1.757 103 1HA GLY 26 1HA GLY 26 -9.185 6.836 -0.380 104 2HA GLY 26 2HA GLY 26 -7.704 6.289 0.405 105 H GLU 27 H GLU 27 -6.993 5.348 -1.438 106 HA GLU 27 HA GLU 27 -8.187 2.705 -2.225 107 1HB GLU 27 1HB GLU 27 -6.908 4.785 -4.068 108 2HB GLU 27 2HB GLU 27 -7.276 3.114 -4.519 109 1HG GLU 27 1HG GLU 27 -9.685 3.516 -4.042 110 2HG GLU 27 2HG GLU 27 -9.325 5.202 -3.656 111 H CYS 28 H CYS 28 -7.216 1.370 -1.344 112 HA CYS 28 HA CYS 28 -4.565 1.068 -0.516 113 1HB CYS 28 1HB CYS 28 -6.658 -0.981 -1.315 114 2HB CYS 28 2HB CYS 28 -5.478 -1.143 -0.076 115 H TYR 29 H TYR 29 -3.530 -1.145 -1.202 116 HA TYR 29 HA TYR 29 -3.484 -1.741 -4.067 117 1HB TYR 29 1HB TYR 29 -0.982 -0.962 -2.492 118 2HB TYR 29 2HB TYR 29 -0.965 -1.596 -4.119 119 HD1 TYR 29 HD1 TYR 29 -1.342 1.341 -2.006 120 HD2 TYR 29 HD2 TYR 29 -1.776 -0.119 -6.050 121 HE1 TYR 29 HE1 TYR 29 -1.414 3.687 -2.864 122 HE2 TYR 29 HE2 TYR 29 -1.837 2.206 -6.885 123 HH TYR 29 HH TYR 29 -1.762 4.426 -6.348 124 HA PRO 30 HA PRO 30 -3.060 -5.822 -2.377 125 1HB PRO 30 1HB PRO 30 -0.942 -6.487 -4.347 126 2HB PRO 30 2HB PRO 30 -2.500 -7.305 -4.043 127 1HG PRO 30 1HG PRO 30 -2.120 -5.750 -6.271 128 2HG PRO 30 2HG PRO 30 -3.679 -5.727 -5.383 129 1HD PRO 30 1HD PRO 30 -1.380 -3.767 -5.184 130 2HD PRO 30 2HD PRO 30 -3.127 -3.435 -5.345 131 H GLN 31 H GLN 31 -1.805 -6.928 -0.941 132 HA GLN 31 HA GLN 31 0.820 -5.859 -0.108 133 1HB GLN 31 1HB GLN 31 -0.772 -8.311 0.800 134 2HB GLN 31 2HB GLN 31 0.735 -7.779 1.550 135 1HG GLN 31 1HG GLN 31 -0.244 -5.728 2.329 136 2HG GLN 31 2HG GLN 31 -1.725 -5.994 1.407 137 1HE2 GLN 31 2HE2 GLN 31 0.060 -8.318 3.593 138 2HE2 GLN 31 1HE2 GLN 31 -1.344 -8.515 4.634 139 H ASP 32 H ASP 32 -0.087 -7.818 -2.587 140 HA ASP 32 HA ASP 32 2.367 -9.296 -2.941 141 1HB ASP 32 1HB ASP 32 0.082 -9.401 -4.231 142 2HB ASP 32 2HB ASP 32 0.632 -7.989 -5.085 143 H TRP 33 H TRP 33 1.273 -6.118 -3.406 144 HA TRP 33 HA TRP 33 3.875 -5.022 -4.219 145 1HB TRP 33 1HB TRP 33 1.291 -3.508 -3.975 146 2HB TRP 33 2HB TRP 33 2.791 -2.983 -4.687 147 HD1 TRP 33 HD1 TRP 33 2.099 -6.315 -6.138 148 HE1 TRP 33 HE1 TRP 33 0.818 -6.180 -8.345 149 HE3 TRP 33 HE3 TRP 33 0.891 -1.337 -6.063 150 HZ2 TRP 33 HZ2 TRP 33 -0.690 -4.220 -9.815 151 HZ3 TRP 33 HZ3 TRP 33 -0.453 -0.357 -7.921 152 HH2 TRP 33 HH2 TRP 33 -1.303 -1.795 -9.749 153 H LEU 34 H LEU 34 3.719 -6.140 -1.917 154 HA LEU 34 HA LEU 34 4.851 -3.951 -0.261 155 1HB LEU 34 1HB LEU 34 2.608 -4.744 0.701 156 2HB LEU 34 2HB LEU 34 3.338 -6.320 0.919 157 HG LEU 34 HG LEU 34 5.143 -5.150 2.343 158 1HD1 LEU 34 1HD1 LEU 34 4.544 -3.017 3.351 159 2HD1 LEU 34 2HD1 LEU 34 4.583 -2.818 1.593 160 3HD1 LEU 34 3HD1 LEU 34 3.027 -2.962 2.425 161 1HD2 LEU 34 1HD2 LEU 34 3.328 -6.521 3.312 162 2HD2 LEU 34 2HD2 LEU 34 3.682 -5.121 4.339 163 3HD2 LEU 34 3HD2 LEU 34 2.242 -5.111 3.294 164 H CYS 35 H CYS 35 6.949 -4.293 -0.529 165 HA CYS 35 HA CYS 35 8.892 -5.090 -1.148 166 1HB CYS 35 1HB CYS 35 8.964 -5.740 0.963 167 2HB CYS 35 2HB CYS 35 8.082 -7.227 0.753 168 H ASP 36 H ASP 36 7.763 -5.085 -3.219 169 HA ASP 36 HA ASP 36 7.377 -7.737 -4.559 170 1HB ASP 36 1HB ASP 36 5.813 -5.829 -5.028 171 2HB ASP 36 2HB ASP 36 7.168 -4.925 -5.694 172 H GLY 37 H GLY 37 9.812 -5.447 -3.854 173 1HA GLY 37 1HA GLY 37 12.129 -5.551 -4.425 174 2HA GLY 37 2HA GLY 37 11.734 -6.574 -5.821 175 H HIS 38 H HIS 38 9.613 -4.163 -5.553 176 HA HIS 38 HA HIS 38 10.805 -2.137 -7.316 177 1HB HIS 38 1HB HIS 38 9.975 -3.710 -8.888 178 2HB HIS 38 2HB HIS 38 8.565 -4.079 -7.935 179 HD1 HIS 38 HD1 HIS 38 9.730 -1.162 -10.232 180 HD2 HIS 38 HD2 HIS 38 6.449 -2.629 -8.027 181 HE1 HIS 38 HE1 HIS 38 7.731 0.394 -10.743 182 HE2 HIS 38 HE2 HIS 38 5.709 -0.550 -9.431 183 HA PRO 39 HA PRO 39 8.149 -0.012 -4.289 184 1HB PRO 39 1HB PRO 39 8.474 2.578 -5.244 185 2HB PRO 39 2HB PRO 39 9.425 1.748 -4.012 186 1HG PRO 39 1HG PRO 39 10.228 2.443 -6.771 187 2HG PRO 39 2HG PRO 39 11.252 1.825 -5.444 188 1HD PRO 39 1HD PRO 39 10.106 0.385 -7.719 189 2HD PRO 39 2HD PRO 39 11.269 -0.214 -6.517 190 H ASP 40 H ASP 40 6.105 0.952 -4.304 191 HA ASP 40 HA ASP 40 5.063 2.108 -6.827 192 1HB ASP 40 1HB ASP 40 4.515 -0.595 -6.364 193 2HB ASP 40 2HB ASP 40 3.080 0.197 -5.740 194 H CYS 41 H CYS 41 5.544 2.471 -3.657 195 HA CYS 41 HA CYS 41 2.885 2.913 -2.811 196 1HB CYS 41 1HB CYS 41 5.314 2.614 -1.530 197 2HB CYS 41 2HB CYS 41 4.615 4.087 -0.899 198 H ASP 42 H ASP 42 3.793 4.705 -4.819 199 HA ASP 42 HA ASP 42 4.436 6.750 -5.490 200 1HB ASP 42 1HB ASP 42 1.951 7.079 -5.139 201 2HB ASP 42 2HB ASP 42 2.321 7.836 -3.590 202 H ASP 43 H ASP 43 5.108 5.976 -2.481 203 HA ASP 43 HA ASP 43 7.371 7.842 -2.383 204 1HB ASP 43 1HB ASP 43 5.516 7.981 -0.546 205 2HB ASP 43 2HB ASP 43 6.287 6.528 0.058 206 H GLY 44 H GLY 44 6.476 4.849 -3.041 207 1HA GLY 44 1HA GLY 44 7.623 2.739 -3.150 208 2HA GLY 44 2HA GLY 44 9.116 3.601 -2.834 209 H ARG 45 H ARG 45 6.536 3.711 -0.609 210 HA ARG 45 HA ARG 45 8.325 2.606 1.509 211 1HB ARG 45 1HB ARG 45 6.969 3.555 3.192 212 2HB ARG 45 2HB ARG 45 7.318 4.805 2.006 213 1HG ARG 45 1HG ARG 45 5.048 4.656 1.105 214 2HG ARG 45 2HG ARG 45 4.699 3.247 2.122 215 1HD ARG 45 1HD ARG 45 3.666 5.176 3.095 216 2HD ARG 45 2HD ARG 45 4.987 4.634 4.144 217 HE ARG 45 HE ARG 45 5.855 6.701 2.290 218 1HH1 ARG 45 2HH2 ARG 45 4.015 6.413 5.251 219 2HH1 ARG 45 1HH2 ARG 45 4.426 8.036 5.752 220 1HH2 ARG 45 1HH1 ARG 45 6.401 8.637 2.982 221 2HH2 ARG 45 2HH1 ARG 45 5.740 9.302 4.475 222 H ASP 46 H ASP 46 6.527 1.205 -0.687 223 HA ASP 46 HA ASP 46 5.285 -0.751 1.005 224 1HB ASP 46 1HB ASP 46 4.927 -1.905 -1.126 225 2HB ASP 46 2HB ASP 46 4.176 -0.318 -1.136 226 H GLU 47 H GLU 47 8.190 -0.021 -0.749 227 HA GLU 47 HA GLU 47 9.272 -2.691 -0.576 228 1HB GLU 47 1HB GLU 47 10.443 0.033 -1.213 229 2HB GLU 47 2HB GLU 47 11.430 -1.410 -1.220 230 1HG GLU 47 1HG GLU 47 8.850 -1.354 -2.800 231 2HG GLU 47 2HG GLU 47 10.296 -0.578 -3.410 232 H TRP 48 H TRP 48 9.370 0.148 1.308 233 HA TRP 48 HA TRP 48 11.848 -0.055 2.530 234 1HB TRP 48 1HB TRP 48 9.411 1.313 3.675 235 2HB TRP 48 2HB TRP 48 11.065 1.518 4.227 236 HD1 TRP 48 HD1 TRP 48 11.299 1.581 0.553 237 HE1 TRP 48 HE1 TRP 48 10.940 3.898 -0.408 238 HE3 TRP 48 HE3 TRP 48 9.765 3.851 4.782 239 HZ2 TRP 48 HZ2 TRP 48 10.249 6.598 0.648 240 HZ3 TRP 48 HZ3 TRP 48 9.280 6.341 4.840 241 HH2 TRP 48 HH2 TRP 48 9.538 7.686 2.769 242 H GLY 49 H GLY 49 12.567 -1.476 3.546 243 1HA GLY 49 1HA GLY 49 13.189 -2.838 5.390 244 2HA GLY 49 2HA GLY 49 11.741 -2.273 6.230 245 H CYS 50 H CYS 50 10.794 -3.526 3.191 246 HA CYS 50 HA CYS 50 9.259 -5.083 2.796 247 1HB CYS 50 1HB CYS 50 11.484 -5.638 2.030 248 2HB CYS 50 2HB CYS 50 11.854 -6.418 3.538 249 H GLY 51 H GLY 51 8.929 -4.349 5.509 250 1HA GLY 51 1HA GLY 51 7.020 -6.349 6.414 251 2HA GLY 51 2HA GLY 51 8.481 -6.374 7.404 Start of MODEL 7 1 H SER 10 H SER 10 -6.574 -0.803 5.632 2 HA SER 10 HA SER 10 -8.496 -2.660 6.816 3 1HB SER 10 1HB SER 10 -10.020 -0.838 7.606 4 2HB SER 10 2HB SER 10 -8.539 -1.017 8.562 5 HG SER 10 HG SER 10 -9.024 1.158 8.140 6 H CYS 11 H CYS 11 -8.637 -3.477 4.875 7 HA CYS 11 HA CYS 11 -10.266 -2.217 2.834 8 1HB CYS 11 1HB CYS 11 -7.518 -1.846 2.905 9 2HB CYS 11 2HB CYS 11 -7.611 -3.309 1.972 10 HA PRO 12 HA PRO 12 -10.985 -6.644 2.228 11 1HB PRO 12 1HB PRO 12 -9.538 -6.964 -0.391 12 2HB PRO 12 2HB PRO 12 -11.246 -7.341 -0.018 13 1HG PRO 12 1HG PRO 12 -10.577 -5.160 -1.514 14 2HG PRO 12 2HG PRO 12 -11.910 -5.094 -0.315 15 1HD PRO 12 1HD PRO 12 -9.041 -4.185 0.026 16 2HD PRO 12 2HD PRO 12 -10.544 -3.306 0.421 17 HA PRO 13 HA PRO 13 -7.228 -8.670 3.528 18 1HB PRO 13 1HB PRO 13 -7.470 -11.315 2.872 19 2HB PRO 13 2HB PRO 13 -8.479 -10.543 4.138 20 1HG PRO 13 1HG PRO 13 -9.171 -11.011 1.228 21 2HG PRO 13 2HG PRO 13 -10.157 -11.427 2.671 22 1HD PRO 13 1HD PRO 13 -10.582 -9.149 1.248 23 2HD PRO 13 2HD PRO 13 -10.732 -9.147 3.034 24 H GLY 14 H GLY 14 -5.304 -9.168 2.920 25 1HA GLY 14 1HA GLY 14 -3.416 -9.110 1.623 26 2HA GLY 14 2HA GLY 14 -4.352 -9.705 0.255 27 H GLN 15 H GLN 15 -5.313 -6.602 1.771 28 HA GLN 15 HA GLN 15 -3.947 -5.043 -0.298 29 1HB GLN 15 1HB GLN 15 -6.873 -5.333 0.061 30 2HB GLN 15 2HB GLN 15 -6.267 -3.687 -0.165 31 1HG GLN 15 1HG GLN 15 -5.323 -4.147 -2.264 32 2HG GLN 15 2HG GLN 15 -5.289 -5.891 -1.991 33 1HE2 GLN 15 2HE2 GLN 15 -7.296 -7.094 -1.993 34 2HE2 GLN 15 1HE2 GLN 15 -8.572 -6.488 -3.041 35 H PHE 16 H PHE 16 -3.001 -3.403 0.503 36 HA PHE 16 HA PHE 16 -3.817 -2.160 3.140 37 1HB PHE 16 1HB PHE 16 -1.625 -2.001 3.917 38 2HB PHE 16 2HB PHE 16 -1.677 -3.611 3.235 39 HD1 PHE 16 HD1 PHE 16 -0.867 -3.816 0.746 40 HD2 PHE 16 HD2 PHE 16 0.069 -0.464 3.250 41 HE1 PHE 16 HE1 PHE 16 0.965 -3.198 -0.790 42 HE2 PHE 16 HE2 PHE 16 1.827 0.241 1.660 43 HZ PHE 16 HZ PHE 16 2.284 -1.186 -0.403 44 H ARG 17 H ARG 17 -2.984 0.149 3.429 45 HA ARG 17 HA ARG 17 -2.918 1.602 0.819 46 1HB ARG 17 1HB ARG 17 -3.765 3.527 1.916 47 2HB ARG 17 2HB ARG 17 -4.826 2.130 2.200 48 1HG ARG 17 1HG ARG 17 -3.875 1.894 4.502 49 2HG ARG 17 2HG ARG 17 -2.843 3.301 4.207 50 1HD ARG 17 1HD ARG 17 -4.770 4.012 5.488 51 2HD ARG 17 2HD ARG 17 -4.843 4.717 3.878 52 HE ARG 17 HE ARG 17 -6.790 3.523 3.414 53 1HH1 ARG 17 1HH2 ARG 17 -5.538 2.153 6.400 54 2HH1 ARG 17 2HH2 ARG 17 -7.065 1.314 6.652 55 1HH2 ARG 17 2HH1 ARG 17 -8.469 2.313 3.716 56 2HH2 ARG 17 1HH1 ARG 17 -8.599 1.254 5.107 57 H CYS 18 H CYS 18 -1.597 3.197 0.403 58 HA CYS 18 HA CYS 18 1.114 2.925 1.540 59 1HB CYS 18 1HB CYS 18 -0.098 3.966 -1.010 60 2HB CYS 18 2HB CYS 18 1.534 4.441 -0.556 61 H SER 19 H SER 19 0.028 5.759 0.062 62 HA SER 19 HA SER 19 1.526 7.349 2.021 63 1HB SER 19 1HB SER 19 1.803 8.951 0.099 64 2HB SER 19 2HB SER 19 2.341 7.308 -0.270 65 HG SER 19 HG SER 19 1.027 8.176 -1.944 66 H GLU 20 H GLU 20 -1.125 6.768 2.429 67 HA GLU 20 HA GLU 20 -2.090 9.440 3.305 68 1HB GLU 20 1HB GLU 20 -3.161 8.993 1.177 69 2HB GLU 20 2HB GLU 20 -3.829 7.482 1.781 70 1HG GLU 20 1HG GLU 20 -5.235 8.675 3.385 71 2HG GLU 20 2HG GLU 20 -4.409 10.197 3.035 72 HA PRO 21 HA PRO 21 -2.437 6.868 6.989 73 1HB PRO 21 1HB PRO 21 -3.280 8.771 8.790 74 2HB PRO 21 2HB PRO 21 -1.629 8.745 8.102 75 1HG PRO 21 1HG PRO 21 -4.022 10.359 7.152 76 2HG PRO 21 2HG PRO 21 -2.370 10.954 7.531 77 1HD PRO 21 1HD PRO 21 -3.106 10.365 4.986 78 2HD PRO 21 2HD PRO 21 -1.469 9.963 5.580 79 HA PRO 22 HA PRO 22 -6.730 5.726 7.522 80 1HB PRO 22 1HB PRO 22 -6.990 5.095 10.183 81 2HB PRO 22 2HB PRO 22 -6.078 4.095 9.012 82 1HG PRO 22 1HG PRO 22 -4.985 6.217 10.891 83 2HG PRO 22 2HG PRO 22 -4.424 4.529 10.667 84 1HD PRO 22 1HD PRO 22 -3.210 6.592 9.397 85 2HD PRO 22 2HD PRO 22 -3.463 5.040 8.551 86 H GLY 23 H GLY 23 -8.705 6.208 8.894 87 1HA GLY 23 1HA GLY 23 -10.337 7.807 9.426 88 2HA GLY 23 2HA GLY 23 -9.075 9.008 9.693 89 H ALA 24 H ALA 24 -8.167 7.962 6.849 90 HA ALA 24 HA ALA 24 -10.229 9.103 5.065 91 1HB ALA 24 1HB ALA 24 -8.455 10.235 3.744 92 2HB ALA 24 2HB ALA 24 -8.583 10.899 5.385 93 3HB ALA 24 3HB ALA 24 -7.255 9.790 4.977 94 H HIS 25 H HIS 25 -10.772 6.888 4.827 95 HA HIS 25 HA HIS 25 -9.173 4.729 4.673 96 1HB HIS 25 1HB HIS 25 -11.876 5.180 3.340 97 2HB HIS 25 2HB HIS 25 -11.158 3.616 3.651 98 HD1 HIS 25 HD1 HIS 25 -10.518 3.286 6.490 99 HD2 HIS 25 HD2 HIS 25 -13.568 5.916 5.183 100 HE1 HIS 25 HE1 HIS 25 -12.036 3.724 8.526 101 HE2 HIS 25 HE2 HIS 25 -13.888 5.323 7.726 102 H GLY 26 H GLY 26 -10.030 6.615 1.930 103 1HA GLY 26 1HA GLY 26 -9.081 6.856 -0.192 104 2HA GLY 26 2HA GLY 26 -7.629 6.205 0.567 105 H GLU 27 H GLU 27 -7.046 5.305 -1.367 106 HA GLU 27 HA GLU 27 -8.328 2.691 -2.093 107 1HB GLU 27 1HB GLU 27 -7.175 4.766 -4.026 108 2HB GLU 27 2HB GLU 27 -7.597 3.100 -4.450 109 1HG GLU 27 1HG GLU 27 -9.959 3.535 -3.782 110 2HG GLU 27 2HG GLU 27 -9.546 5.217 -3.438 111 H CYS 28 H CYS 28 -7.303 1.317 -1.361 112 HA CYS 28 HA CYS 28 -4.621 1.086 -0.622 113 1HB CYS 28 1HB CYS 28 -6.725 -0.994 -1.306 114 2HB CYS 28 2HB CYS 28 -5.455 -1.158 -0.159 115 H TYR 29 H TYR 29 -3.580 -1.109 -1.304 116 HA TYR 29 HA TYR 29 -3.536 -1.724 -4.164 117 1HB TYR 29 1HB TYR 29 -1.048 -0.876 -2.596 118 2HB TYR 29 2HB TYR 29 -1.005 -1.541 -4.207 119 HD1 TYR 29 HD1 TYR 29 -1.439 1.433 -2.168 120 HD2 TYR 29 HD2 TYR 29 -1.867 -0.125 -6.179 121 HE1 TYR 29 HE1 TYR 29 -1.616 3.749 -3.060 122 HE2 TYR 29 HE2 TYR 29 -2.032 2.188 -7.052 123 HH TYR 29 HH TYR 29 -1.903 5.057 -4.915 124 HA PRO 30 HA PRO 30 -3.075 -5.779 -2.476 125 1HB PRO 30 1HB PRO 30 -0.921 -6.441 -4.415 126 2HB PRO 30 2HB PRO 30 -2.481 -7.263 -4.137 127 1HG PRO 30 1HG PRO 30 -2.066 -5.705 -6.358 128 2HG PRO 30 2HG PRO 30 -3.641 -5.689 -5.498 129 1HD PRO 30 1HD PRO 30 -1.352 -3.723 -5.255 130 2HD PRO 30 2HD PRO 30 -3.095 -3.393 -5.451 131 H GLN 31 H GLN 31 -1.828 -6.890 -1.026 132 HA GLN 31 HA GLN 31 0.774 -5.779 -0.155 133 1HB GLN 31 1HB GLN 31 -0.770 -8.262 0.753 134 2HB GLN 31 2HB GLN 31 0.699 -7.666 1.523 135 1HG GLN 31 1HG GLN 31 -0.389 -5.624 2.231 136 2HG GLN 31 2HG GLN 31 -1.864 -6.033 1.352 137 1HE2 GLN 31 2HE2 GLN 31 -3.164 -5.914 3.347 138 2HE2 GLN 31 1HE2 GLN 31 -2.993 -7.206 4.522 139 H ASP 32 H ASP 32 -0.093 -7.767 -2.639 140 HA ASP 32 HA ASP 32 2.364 -9.241 -2.944 141 1HB ASP 32 1HB ASP 32 0.099 -9.348 -4.269 142 2HB ASP 32 2HB ASP 32 0.668 -7.945 -5.125 143 H TRP 33 H TRP 33 1.277 -6.063 -3.443 144 HA TRP 33 HA TRP 33 3.889 -4.968 -4.217 145 1HB TRP 33 1HB TRP 33 1.301 -3.456 -4.010 146 2HB TRP 33 2HB TRP 33 2.812 -2.928 -4.697 147 HD1 TRP 33 HD1 TRP 33 2.118 -6.258 -6.166 148 HE1 TRP 33 HE1 TRP 33 0.881 -6.098 -8.396 149 HE3 TRP 33 HE3 TRP 33 0.953 -1.268 -6.086 150 HZ2 TRP 33 HZ2 TRP 33 -0.591 -4.119 -9.878 151 HZ3 TRP 33 HZ3 TRP 33 -0.361 -0.270 -7.952 152 HH2 TRP 33 HH2 TRP 33 -1.195 -1.692 -9.804 153 H LEU 34 H LEU 34 3.699 -6.083 -1.909 154 HA LEU 34 HA LEU 34 4.804 -3.886 -0.244 155 1HB LEU 34 1HB LEU 34 2.541 -4.638 0.685 156 2HB LEU 34 2HB LEU 34 3.241 -6.225 0.928 157 HG LEU 34 HG LEU 34 5.046 -5.065 2.367 158 1HD1 LEU 34 1HD1 LEU 34 4.521 -2.733 1.604 159 2HD1 LEU 34 2HD1 LEU 34 2.951 -2.858 2.412 160 3HD1 LEU 34 3HD1 LEU 34 4.452 -2.924 3.362 161 1HD2 LEU 34 1HD2 LEU 34 2.136 -5.001 3.286 162 2HD2 LEU 34 2HD2 LEU 34 3.212 -6.417 3.323 163 3HD2 LEU 34 3HD2 LEU 34 3.564 -5.015 4.346 164 H CYS 35 H CYS 35 6.907 -4.247 -0.469 165 HA CYS 35 HA CYS 35 8.851 -5.070 -1.040 166 1HB CYS 35 1HB CYS 35 8.885 -5.670 1.082 167 2HB CYS 35 2HB CYS 35 7.999 -7.160 0.893 168 H ASP 36 H ASP 36 7.749 -5.108 -3.127 169 HA ASP 36 HA ASP 36 7.329 -7.783 -4.409 170 1HB ASP 36 1HB ASP 36 5.805 -5.855 -4.934 171 2HB ASP 36 2HB ASP 36 7.177 -4.995 -5.614 172 H GLY 37 H GLY 37 9.794 -5.518 -3.737 173 1HA GLY 37 1HA GLY 37 12.115 -5.669 -4.293 174 2HA GLY 37 2HA GLY 37 11.712 -6.715 -5.670 175 H HIS 38 H HIS 38 9.625 -4.278 -5.469 176 HA HIS 38 HA HIS 38 10.850 -2.308 -7.277 177 1HB HIS 38 1HB HIS 38 9.992 -3.912 -8.806 178 2HB HIS 38 2HB HIS 38 8.563 -4.209 -7.854 179 HD1 HIS 38 HD1 HIS 38 9.853 -1.378 -10.197 180 HD2 HIS 38 HD2 HIS 38 6.491 -2.696 -8.019 181 HE1 HIS 38 HE1 HIS 38 7.913 0.233 -10.768 182 HE2 HIS 38 HE2 HIS 38 5.845 -0.613 -9.466 183 HA PRO 39 HA PRO 39 8.200 -0.107 -4.286 184 1HB PRO 39 1HB PRO 39 8.696 2.467 -5.281 185 2HB PRO 39 2HB PRO 39 9.459 1.632 -3.923 186 1HG PRO 39 1HG PRO 39 10.722 2.280 -6.459 187 2HG PRO 39 2HG PRO 39 11.418 1.373 -5.086 188 1HD PRO 39 1HD PRO 39 10.226 0.348 -7.608 189 2HD PRO 39 2HD PRO 39 11.378 -0.444 -6.505 190 H ASP 40 H ASP 40 6.204 0.938 -4.357 191 HA ASP 40 HA ASP 40 5.241 2.089 -6.918 192 1HB ASP 40 1HB ASP 40 4.657 -0.595 -6.457 193 2HB ASP 40 2HB ASP 40 3.227 0.201 -5.827 194 H CYS 41 H CYS 41 5.640 2.469 -3.736 195 HA CYS 41 HA CYS 41 2.960 2.938 -2.957 196 1HB CYS 41 1HB CYS 41 5.333 2.586 -1.606 197 2HB CYS 41 2HB CYS 41 4.679 4.087 -1.005 198 H ASP 42 H ASP 42 3.934 4.732 -4.929 199 HA ASP 42 HA ASP 42 4.606 6.783 -5.565 200 1HB ASP 42 1HB ASP 42 2.107 7.091 -5.289 201 2HB ASP 42 2HB ASP 42 2.428 7.857 -3.733 202 H ASP 43 H ASP 43 5.229 5.981 -2.552 203 HA ASP 43 HA ASP 43 7.508 7.820 -2.547 204 1HB ASP 43 1HB ASP 43 5.669 7.794 -0.509 205 2HB ASP 43 2HB ASP 43 6.844 6.621 0.050 206 H GLY 44 H GLY 44 6.563 4.827 -3.113 207 1HA GLY 44 1HA GLY 44 7.706 2.716 -3.217 208 2HA GLY 44 2HA GLY 44 9.206 3.561 -2.887 209 H ARG 45 H ARG 45 6.589 3.745 -0.719 210 HA ARG 45 HA ARG 45 8.293 2.642 1.472 211 1HB ARG 45 1HB ARG 45 6.824 3.631 3.081 212 2HB ARG 45 2HB ARG 45 7.419 4.847 1.964 213 1HG ARG 45 1HG ARG 45 5.310 5.037 0.853 214 2HG ARG 45 2HG ARG 45 4.669 3.588 1.649 215 1HD ARG 45 1HD ARG 45 5.511 6.082 3.155 216 2HD ARG 45 2HD ARG 45 3.863 5.816 2.558 217 HE ARG 45 HE ARG 45 4.147 3.545 3.892 218 1HH1 ARG 45 1HH2 ARG 45 5.038 6.722 5.068 219 2HH1 ARG 45 2HH2 ARG 45 4.826 6.254 6.737 220 1HH2 ARG 45 2HH1 ARG 45 3.901 3.021 6.016 221 2HH2 ARG 45 1HH1 ARG 45 4.193 4.216 7.248 222 H ASP 46 H ASP 46 6.549 1.233 -0.747 223 HA ASP 46 HA ASP 46 5.243 -0.670 0.961 224 1HB ASP 46 1HB ASP 46 4.923 -1.870 -1.151 225 2HB ASP 46 2HB ASP 46 4.167 -0.285 -1.200 226 H GLU 47 H GLU 47 8.192 -0.009 -0.754 227 HA GLU 47 HA GLU 47 9.232 -2.691 -0.492 228 1HB GLU 47 1HB GLU 47 10.459 -0.007 -1.175 229 2HB GLU 47 2HB GLU 47 11.419 -1.467 -1.132 230 1HG GLU 47 1HG GLU 47 8.870 -1.395 -2.757 231 2HG GLU 47 2HG GLU 47 10.341 -0.661 -3.356 232 H TRP 48 H TRP 48 9.336 0.198 1.311 233 HA TRP 48 HA TRP 48 11.780 -0.025 2.611 234 1HB TRP 48 1HB TRP 48 9.353 1.447 3.641 235 2HB TRP 48 2HB TRP 48 11.000 1.629 4.223 236 HD1 TRP 48 HD1 TRP 48 11.349 1.547 0.567 237 HE1 TRP 48 HE1 TRP 48 11.081 3.831 -0.499 238 HE3 TRP 48 HE3 TRP 48 9.702 4.024 4.636 239 HZ2 TRP 48 HZ2 TRP 48 10.465 6.585 0.426 240 HZ3 TRP 48 HZ3 TRP 48 9.271 6.524 4.570 241 HH2 TRP 48 HH2 TRP 48 9.655 7.779 2.458 242 H GLY 49 H GLY 49 12.425 -1.431 3.694 243 1HA GLY 49 1HA GLY 49 12.955 -2.705 5.632 244 2HA GLY 49 2HA GLY 49 11.458 -2.122 6.368 245 H CYS 50 H CYS 50 10.639 -3.449 3.335 246 HA CYS 50 HA CYS 50 9.121 -5.020 2.927 247 1HB CYS 50 1HB CYS 50 11.371 -5.566 2.220 248 2HB CYS 50 2HB CYS 50 11.708 -6.329 3.745 249 H GLY 51 H GLY 51 8.717 -4.254 5.613 250 1HA GLY 51 1HA GLY 51 6.789 -6.231 6.504 251 2HA GLY 51 2HA GLY 51 8.237 -6.286 7.511 Start of MODEL 8 1 H SER 10 H SER 10 -6.915 -0.458 5.332 2 HA SER 10 HA SER 10 -8.543 -2.510 6.610 3 1HB SER 10 1HB SER 10 -10.263 -0.872 7.415 4 2HB SER 10 2HB SER 10 -8.756 -0.867 8.339 5 HG SER 10 HG SER 10 -9.564 1.242 7.841 6 H CYS 11 H CYS 11 -8.697 -3.380 4.702 7 HA CYS 11 HA CYS 11 -10.378 -2.249 2.612 8 1HB CYS 11 1HB CYS 11 -7.628 -1.827 2.684 9 2HB CYS 11 2HB CYS 11 -7.702 -3.321 1.794 10 HA PRO 12 HA PRO 12 -11.002 -6.696 2.167 11 1HB PRO 12 1HB PRO 12 -9.531 -7.098 -0.429 12 2HB PRO 12 2HB PRO 12 -11.239 -7.478 -0.057 13 1HG PRO 12 1HG PRO 12 -10.571 -5.347 -1.629 14 2HG PRO 12 2HG PRO 12 -11.922 -5.253 -0.451 15 1HD PRO 12 1HD PRO 12 -9.069 -4.296 -0.108 16 2HD PRO 12 2HD PRO 12 -10.586 -3.421 0.238 17 HA PRO 13 HA PRO 13 -7.250 -8.618 3.589 18 1HB PRO 13 1HB PRO 13 -7.429 -11.288 3.021 19 2HB PRO 13 2HB PRO 13 -8.485 -10.492 4.232 20 1HG PRO 13 1HG PRO 13 -9.090 -11.073 1.323 21 2HG PRO 13 2HG PRO 13 -10.107 -11.456 2.753 22 1HD PRO 13 1HD PRO 13 -10.531 -9.238 1.241 23 2HD PRO 13 2HD PRO 13 -10.732 -9.178 3.020 24 H GLY 14 H GLY 14 -5.303 -9.102 3.052 25 1HA GLY 14 1HA GLY 14 -3.381 -9.049 1.817 26 2HA GLY 14 2HA GLY 14 -4.250 -9.730 0.448 27 H GLN 15 H GLN 15 -5.308 -6.584 1.821 28 HA GLN 15 HA GLN 15 -3.932 -5.079 -0.274 29 1HB GLN 15 1HB GLN 15 -6.872 -5.383 0.012 30 2HB GLN 15 2HB GLN 15 -6.257 -3.756 -0.308 31 1HG GLN 15 1HG GLN 15 -5.247 -4.354 -2.340 32 2HG GLN 15 2HG GLN 15 -5.232 -6.077 -1.954 33 1HE2 GLN 15 2HE2 GLN 15 -7.249 -7.271 -1.932 34 2HE2 GLN 15 1HE2 GLN 15 -8.491 -6.724 -3.052 35 H PHE 16 H PHE 16 -2.955 -3.466 0.567 36 HA PHE 16 HA PHE 16 -3.822 -2.237 3.193 37 1HB PHE 16 1HB PHE 16 -1.629 -2.066 3.955 38 2HB PHE 16 2HB PHE 16 -1.683 -3.667 3.258 39 HD1 PHE 16 HD1 PHE 16 -0.835 -3.880 0.794 40 HD2 PHE 16 HD2 PHE 16 0.046 -0.507 3.293 41 HE1 PHE 16 HE1 PHE 16 1.031 -3.269 -0.706 42 HE2 PHE 16 HE2 PHE 16 1.840 0.184 1.736 43 HZ PHE 16 HZ PHE 16 2.335 -1.251 -0.310 44 H ARG 17 H ARG 17 -3.040 0.082 3.507 45 HA ARG 17 HA ARG 17 -2.959 1.560 0.910 46 1HB ARG 17 1HB ARG 17 -3.797 3.482 1.990 47 2HB ARG 17 2HB ARG 17 -4.878 2.093 2.262 48 1HG ARG 17 1HG ARG 17 -4.011 1.878 4.586 49 2HG ARG 17 2HG ARG 17 -2.926 3.250 4.305 50 1HD ARG 17 1HD ARG 17 -4.859 4.062 5.503 51 2HD ARG 17 2HD ARG 17 -4.883 4.712 3.869 52 HE ARG 17 HE ARG 17 -6.821 3.522 3.377 53 1HH1 ARG 17 1HH2 ARG 17 -5.786 2.423 6.566 54 2HH1 ARG 17 2HH2 ARG 17 -7.318 1.574 6.767 55 1HH2 ARG 17 1HH1 ARG 17 -8.556 2.316 3.707 56 2HH2 ARG 17 2HH1 ARG 17 -8.766 1.458 5.232 57 H CYS 18 H CYS 18 -1.585 3.099 0.496 58 HA CYS 18 HA CYS 18 1.096 2.695 1.615 59 1HB CYS 18 1HB CYS 18 -0.104 3.868 -0.877 60 2HB CYS 18 2HB CYS 18 1.534 4.322 -0.421 61 H SER 19 H SER 19 0.138 5.651 0.313 62 HA SER 19 HA SER 19 1.515 7.084 2.540 63 1HB SER 19 1HB SER 19 1.469 7.794 -0.417 64 2HB SER 19 2HB SER 19 2.410 8.619 0.842 65 HG SER 19 HG SER 19 2.991 6.371 -0.526 66 H GLU 20 H GLU 20 -1.121 6.679 2.539 67 HA GLU 20 HA GLU 20 -2.049 9.407 3.230 68 1HB GLU 20 1HB GLU 20 -2.991 8.906 1.047 69 2HB GLU 20 2HB GLU 20 -3.730 7.428 1.661 70 1HG GLU 20 1HG GLU 20 -5.198 8.697 3.141 71 2HG GLU 20 2HG GLU 20 -4.326 10.193 2.796 72 HA PRO 21 HA PRO 21 -2.526 6.831 6.881 73 1HB PRO 21 1HB PRO 21 -3.193 8.727 8.734 74 2HB PRO 21 2HB PRO 21 -1.582 8.686 7.958 75 1HG PRO 21 1HG PRO 21 -4.003 10.336 7.116 76 2HG PRO 21 2HG PRO 21 -2.342 10.926 7.470 77 1HD PRO 21 1HD PRO 21 -3.119 10.373 4.928 78 2HD PRO 21 2HD PRO 21 -1.477 9.941 5.493 79 HA PRO 22 HA PRO 22 -6.836 5.872 7.726 80 1HB PRO 22 1HB PRO 22 -6.135 6.240 10.646 81 2HB PRO 22 2HB PRO 22 -7.089 4.930 9.874 82 1HG PRO 22 1HG PRO 22 -4.536 4.513 10.533 83 2HG PRO 22 2HG PRO 22 -5.125 3.965 8.926 84 1HD PRO 22 1HD PRO 22 -3.546 6.472 9.592 85 2HD PRO 22 2HD PRO 22 -3.297 5.303 8.256 86 H GLY 23 H GLY 23 -8.720 6.637 8.932 87 1HA GLY 23 1HA GLY 23 -10.312 8.354 9.293 88 2HA GLY 23 2HA GLY 23 -9.004 9.525 9.435 89 H ALA 24 H ALA 24 -8.142 8.130 6.723 90 HA ALA 24 HA ALA 24 -10.210 9.027 4.840 91 1HB ALA 24 1HB ALA 24 -7.248 9.631 4.505 92 2HB ALA 24 2HB ALA 24 -8.497 9.801 3.252 93 3HB ALA 24 3HB ALA 24 -8.562 10.817 4.714 94 H HIS 25 H HIS 25 -10.834 6.944 4.803 95 HA HIS 25 HA HIS 25 -9.563 4.527 4.612 96 1HB HIS 25 1HB HIS 25 -11.984 4.790 4.675 97 2HB HIS 25 2HB HIS 25 -12.010 5.500 3.077 98 HD1 HIS 25 HD1 HIS 25 -11.712 2.040 4.734 99 HD2 HIS 25 HD2 HIS 25 -11.685 3.951 0.964 100 HE1 HIS 25 HE1 HIS 25 -11.908 0.170 2.981 101 HE2 HIS 25 HE2 HIS 25 -11.913 1.324 0.671 102 H GLY 26 H GLY 26 -10.201 6.563 1.928 103 1HA GLY 26 1HA GLY 26 -9.079 7.016 -0.095 104 2HA GLY 26 2HA GLY 26 -7.672 6.286 0.680 105 H GLU 27 H GLU 27 -6.865 5.227 -1.020 106 HA GLU 27 HA GLU 27 -8.259 2.812 -1.982 107 1HB GLU 27 1HB GLU 27 -8.669 4.626 -3.705 108 2HB GLU 27 2HB GLU 27 -6.925 4.822 -3.869 109 1HG GLU 27 1HG GLU 27 -7.718 3.484 -5.696 110 2HG GLU 27 2HG GLU 27 -6.753 2.451 -4.655 111 H CYS 28 H CYS 28 -7.271 1.260 -1.690 112 HA CYS 28 HA CYS 28 -4.648 1.068 -0.603 113 1HB CYS 28 1HB CYS 28 -6.682 -1.031 -1.421 114 2HB CYS 28 2HB CYS 28 -5.530 -1.132 -0.137 115 H TYR 29 H TYR 29 -3.563 -1.154 -1.256 116 HA TYR 29 HA TYR 29 -3.440 -1.741 -4.120 117 1HB TYR 29 1HB TYR 29 -0.981 -0.945 -2.486 118 2HB TYR 29 2HB TYR 29 -0.927 -1.570 -4.117 119 HD1 TYR 29 HD1 TYR 29 -1.390 1.351 -1.994 120 HD2 TYR 29 HD2 TYR 29 -1.696 -0.089 -6.054 121 HE1 TYR 29 HE1 TYR 29 -1.492 3.703 -2.837 122 HE2 TYR 29 HE2 TYR 29 -1.777 2.241 -6.878 123 HH TYR 29 HH TYR 29 -1.757 4.458 -6.324 124 HA PRO 30 HA PRO 30 -3.034 -5.818 -2.419 125 1HB PRO 30 1HB PRO 30 -0.881 -6.476 -4.355 126 2HB PRO 30 2HB PRO 30 -2.441 -7.299 -4.079 127 1HG PRO 30 1HG PRO 30 -2.026 -5.740 -6.299 128 2HG PRO 30 2HG PRO 30 -3.601 -5.723 -5.439 129 1HD PRO 30 1HD PRO 30 -1.310 -3.758 -5.196 130 2HD PRO 30 2HD PRO 30 -3.054 -3.428 -5.390 131 H GLN 31 H GLN 31 -1.791 -6.927 -0.966 132 HA GLN 31 HA GLN 31 0.821 -5.840 -0.109 133 1HB GLN 31 1HB GLN 31 -0.758 -8.301 0.792 134 2HB GLN 31 2HB GLN 31 0.738 -7.753 1.552 135 1HG GLN 31 1HG GLN 31 -0.266 -5.706 2.314 136 2HG GLN 31 2HG GLN 31 -1.739 -5.993 1.388 137 1HE2 GLN 31 1HE2 GLN 31 0.063 -8.285 3.593 138 2HE2 GLN 31 2HE2 GLN 31 -1.343 -8.491 4.632 139 H ASP 32 H ASP 32 -0.054 -7.805 -2.596 140 HA ASP 32 HA ASP 32 2.411 -9.268 -2.927 141 1HB ASP 32 1HB ASP 32 0.141 -9.390 -4.239 142 2HB ASP 32 2HB ASP 32 0.689 -7.974 -5.089 143 H TRP 33 H TRP 33 1.297 -6.097 -3.413 144 HA TRP 33 HA TRP 33 3.898 -4.980 -4.198 145 1HB TRP 33 1HB TRP 33 1.298 -3.490 -3.974 146 2HB TRP 33 2HB TRP 33 2.804 -2.939 -4.654 147 HD1 TRP 33 HD1 TRP 33 2.184 -6.265 -6.138 148 HE1 TRP 33 HE1 TRP 33 0.948 -6.132 -8.371 149 HE3 TRP 33 HE3 TRP 33 0.923 -1.299 -6.069 150 HZ2 TRP 33 HZ2 TRP 33 -0.564 -4.187 -9.854 151 HZ3 TRP 33 HZ3 TRP 33 -0.408 -0.331 -7.940 152 HH2 TRP 33 HH2 TRP 33 -1.215 -1.772 -9.785 153 H LEU 34 H LEU 34 3.734 -6.109 -1.902 154 HA LEU 34 HA LEU 34 4.847 -3.919 -0.233 155 1HB LEU 34 1HB LEU 34 2.599 -4.715 0.711 156 2HB LEU 34 2HB LEU 34 3.326 -6.291 0.932 157 HG LEU 34 HG LEU 34 5.112 -5.135 2.382 158 1HD1 LEU 34 1HD1 LEU 34 3.011 -2.932 2.440 159 2HD1 LEU 34 2HD1 LEU 34 4.510 -3.003 3.393 160 3HD1 LEU 34 3HD1 LEU 34 4.583 -2.797 1.637 161 1HD2 LEU 34 1HD2 LEU 34 3.610 -5.093 4.358 162 2HD2 LEU 34 2HD2 LEU 34 2.193 -5.083 3.284 163 3HD2 LEU 34 3HD2 LEU 34 3.278 -6.495 3.326 164 H CYS 35 H CYS 35 6.944 -4.253 -0.504 165 HA CYS 35 HA CYS 35 8.888 -5.034 -1.112 166 1HB CYS 35 1HB CYS 35 8.966 -5.678 0.996 167 2HB CYS 35 2HB CYS 35 8.107 -7.182 0.787 168 H ASP 36 H ASP 36 7.775 -5.046 -3.188 169 HA ASP 36 HA ASP 36 7.369 -7.704 -4.514 170 1HB ASP 36 1HB ASP 36 5.824 -5.787 -4.999 171 2HB ASP 36 2HB ASP 36 7.187 -4.896 -5.664 172 H GLY 37 H GLY 37 9.822 -5.431 -3.818 173 1HA GLY 37 1HA GLY 37 12.141 -5.568 -4.375 174 2HA GLY 37 2HA GLY 37 11.741 -6.592 -5.770 175 H HIS 38 H HIS 38 9.641 -4.174 -5.538 176 HA HIS 38 HA HIS 38 10.866 -2.155 -7.293 177 1HB HIS 38 1HB HIS 38 10.037 -3.732 -8.864 178 2HB HIS 38 2HB HIS 38 8.603 -4.064 -7.931 179 HD1 HIS 38 HD1 HIS 38 9.880 -1.175 -10.208 180 HD2 HIS 38 HD2 HIS 38 6.515 -2.574 -8.082 181 HE1 HIS 38 HE1 HIS 38 7.924 0.423 -10.767 182 HE2 HIS 38 HE2 HIS 38 5.857 -0.473 -9.497 183 HA PRO 39 HA PRO 39 8.175 -0.041 -4.273 184 1HB PRO 39 1HB PRO 39 8.636 2.555 -5.242 185 2HB PRO 39 2HB PRO 39 9.384 1.722 -3.875 186 1HG PRO 39 1HG PRO 39 10.707 2.417 -6.358 187 2HG PRO 39 2HG PRO 39 11.368 1.463 -4.997 188 1HD PRO 39 1HD PRO 39 10.203 0.518 -7.571 189 2HD PRO 39 2HD PRO 39 11.366 -0.296 -6.495 190 H ASP 40 H ASP 40 6.158 0.953 -4.341 191 HA ASP 40 HA ASP 40 5.176 2.109 -6.893 192 1HB ASP 40 1HB ASP 40 4.679 -0.592 -6.503 193 2HB ASP 40 2HB ASP 40 3.227 0.130 -5.835 194 H CYS 41 H CYS 41 5.552 2.461 -3.710 195 HA CYS 41 HA CYS 41 2.872 2.860 -2.916 196 1HB CYS 41 1HB CYS 41 5.287 2.631 -1.591 197 2HB CYS 41 2HB CYS 41 4.539 4.088 -0.981 198 H ASP 42 H ASP 42 3.771 4.665 -4.919 199 HA ASP 42 HA ASP 42 4.386 6.721 -5.584 200 1HB ASP 42 1HB ASP 42 1.887 7.002 -5.269 201 2HB ASP 42 2HB ASP 42 2.221 7.773 -3.719 202 H ASP 43 H ASP 43 5.037 5.966 -2.566 203 HA ASP 43 HA ASP 43 7.278 7.860 -2.489 204 1HB ASP 43 1HB ASP 43 5.427 8.028 -0.652 205 2HB ASP 43 2HB ASP 43 6.213 6.597 -0.017 206 H GLY 44 H GLY 44 6.422 4.857 -3.095 207 1HA GLY 44 1HA GLY 44 7.607 2.764 -3.181 208 2HA GLY 44 2HA GLY 44 9.080 3.650 -2.847 209 H ARG 45 H ARG 45 6.479 3.736 -0.660 210 HA ARG 45 HA ARG 45 8.248 2.655 1.490 211 1HB ARG 45 1HB ARG 45 6.844 3.598 3.148 212 2HB ARG 45 2HB ARG 45 7.245 4.842 1.974 213 1HG ARG 45 1HG ARG 45 5.004 4.724 1.003 214 2HG ARG 45 2HG ARG 45 4.601 3.325 2.017 215 1HD ARG 45 1HD ARG 45 3.585 5.306 2.942 216 2HD ARG 45 2HD ARG 45 4.841 4.705 4.038 217 HE ARG 45 HE ARG 45 5.774 6.778 2.182 218 1HH1 ARG 45 2HH2 ARG 45 4.147 6.422 5.260 219 2HH1 ARG 45 1HH2 ARG 45 4.687 7.989 5.811 220 1HH2 ARG 45 1HH1 ARG 45 6.468 8.654 2.931 221 2HH2 ARG 45 2HH1 ARG 45 5.963 9.256 4.507 222 H ASP 46 H ASP 46 6.503 1.224 -0.721 223 HA ASP 46 HA ASP 46 5.246 -0.729 0.965 224 1HB ASP 46 1HB ASP 46 4.968 -1.915 -1.168 225 2HB ASP 46 2HB ASP 46 4.154 -0.358 -1.181 226 H GLU 47 H GLU 47 8.174 0.014 -0.752 227 HA GLU 47 HA GLU 47 9.261 -2.654 -0.539 228 1HB GLU 47 1HB GLU 47 10.437 0.065 -1.172 229 2HB GLU 47 2HB GLU 47 11.430 -1.377 -1.150 230 1HG GLU 47 1HG GLU 47 8.877 -1.335 -2.772 231 2HG GLU 47 2HG GLU 47 10.333 -0.563 -3.362 232 H TRP 48 H TRP 48 9.313 0.191 1.333 233 HA TRP 48 HA TRP 48 11.753 -0.009 2.626 234 1HB TRP 48 1HB TRP 48 9.286 1.365 3.696 235 2HB TRP 48 2HB TRP 48 10.926 1.581 4.284 236 HD1 TRP 48 HD1 TRP 48 11.245 1.612 0.616 237 HE1 TRP 48 HE1 TRP 48 10.886 3.911 -0.377 238 HE3 TRP 48 HE3 TRP 48 9.606 3.918 4.786 239 HZ2 TRP 48 HZ2 TRP 48 10.136 6.617 0.628 240 HZ3 TRP 48 HZ3 TRP 48 9.097 6.403 4.805 241 HH2 TRP 48 HH2 TRP 48 9.378 7.724 2.722 242 H GLY 49 H GLY 49 12.439 -1.426 3.666 243 1HA GLY 49 1HA GLY 49 13.020 -2.736 5.563 244 2HA GLY 49 2HA GLY 49 11.516 -2.216 6.328 245 H CYS 50 H CYS 50 10.661 -3.473 3.297 246 HA CYS 50 HA CYS 50 9.206 -5.070 2.847 247 1HB CYS 50 1HB CYS 50 11.461 -5.534 2.102 248 2HB CYS 50 2HB CYS 50 11.835 -6.328 3.601 249 H GLY 51 H GLY 51 9.015 -4.505 5.724 250 1HA GLY 51 1HA GLY 51 6.850 -5.906 6.624 251 2HA GLY 51 2HA GLY 51 8.156 -7.023 7.025 Start of MODEL 9 1 H SER 10 H SER 10 -5.987 -0.520 5.284 2 HA SER 10 HA SER 10 -6.784 -3.087 6.458 3 1HB SER 10 1HB SER 10 -7.565 -0.419 7.719 4 2HB SER 10 2HB SER 10 -8.339 -1.978 8.051 5 HG SER 10 HG SER 10 -6.736 -1.461 9.604 6 H CYS 11 H CYS 11 -7.622 -3.624 4.610 7 HA CYS 11 HA CYS 11 -9.762 -2.123 3.262 8 1HB CYS 11 1HB CYS 11 -7.111 -1.879 2.580 9 2HB CYS 11 2HB CYS 11 -7.512 -3.296 1.646 10 HA PRO 12 HA PRO 12 -10.834 -6.528 2.549 11 1HB PRO 12 1HB PRO 12 -9.639 -6.956 -0.182 12 2HB PRO 12 2HB PRO 12 -11.318 -7.271 0.348 13 1HG PRO 12 1HG PRO 12 -10.711 -5.144 -1.250 14 2HG PRO 12 2HG PRO 12 -11.940 -5.017 0.052 15 1HD PRO 12 1HD PRO 12 -9.040 -4.160 0.121 16 2HD PRO 12 2HD PRO 12 -10.497 -3.265 0.649 17 HA PRO 13 HA PRO 13 -7.120 -8.699 3.616 18 1HB PRO 13 1HB PRO 13 -7.481 -11.335 2.976 19 2HB PRO 13 2HB PRO 13 -8.388 -10.527 4.295 20 1HG PRO 13 1HG PRO 13 -9.261 -10.968 1.431 21 2HG PRO 13 2HG PRO 13 -10.177 -11.353 2.929 22 1HD PRO 13 1HD PRO 13 -10.612 -9.066 1.540 23 2HD PRO 13 2HD PRO 13 -10.640 -9.052 3.331 24 H GLY 14 H GLY 14 -5.251 -9.239 2.919 25 1HA GLY 14 1HA GLY 14 -3.419 -9.273 1.539 26 2HA GLY 14 2HA GLY 14 -4.433 -9.840 0.218 27 H GLN 15 H GLN 15 -5.337 -6.713 1.673 28 HA GLN 15 HA GLN 15 -3.892 -5.185 -0.359 29 1HB GLN 15 1HB GLN 15 -6.851 -5.359 -0.004 30 2HB GLN 15 2HB GLN 15 -6.141 -3.782 -0.371 31 1HG GLN 15 1HG GLN 15 -5.313 -4.424 -2.443 32 2HG GLN 15 2HG GLN 15 -5.241 -6.137 -2.023 33 1HE2 GLN 15 1HE2 GLN 15 -7.354 -7.256 -1.623 34 2HE2 GLN 15 2HE2 GLN 15 -8.575 -6.869 -2.831 35 H PHE 16 H PHE 16 -2.996 -3.515 0.480 36 HA PHE 16 HA PHE 16 -3.879 -2.358 3.132 37 1HB PHE 16 1HB PHE 16 -1.688 -2.166 3.934 38 2HB PHE 16 2HB PHE 16 -1.726 -3.766 3.232 39 HD1 PHE 16 HD1 PHE 16 -0.019 -0.592 3.293 40 HD2 PHE 16 HD2 PHE 16 -0.864 -3.962 0.784 41 HE1 PHE 16 HE1 PHE 16 1.776 0.121 1.744 42 HE2 PHE 16 HE2 PHE 16 0.995 -3.329 -0.718 43 HZ PHE 16 HZ PHE 16 2.276 -1.299 -0.315 44 H ARG 17 H ARG 17 -3.199 -0.046 3.501 45 HA ARG 17 HA ARG 17 -2.995 1.479 0.933 46 1HB ARG 17 1HB ARG 17 -3.869 3.392 2.025 47 2HB ARG 17 2HB ARG 17 -4.960 1.996 2.198 48 1HG ARG 17 1HG ARG 17 -4.230 1.707 4.549 49 2HG ARG 17 2HG ARG 17 -3.115 3.070 4.379 50 1HD ARG 17 1HD ARG 17 -5.146 3.815 5.512 51 2HD ARG 17 2HD ARG 17 -4.988 4.598 3.943 52 HE ARG 17 HE ARG 17 -6.946 3.599 3.220 53 1HH1 ARG 17 2HH1 ARG 17 -6.107 1.942 6.202 54 2HH1 ARG 17 1HH1 ARG 17 -7.592 1.008 6.121 55 1HH2 ARG 17 1HH2 ARG 17 -8.674 2.325 3.192 56 2HH2 ARG 17 2HH2 ARG 17 -8.883 1.077 4.419 57 H CYS 18 H CYS 18 -1.615 3.030 0.588 58 HA CYS 18 HA CYS 18 1.036 2.591 1.745 59 1HB CYS 18 1HB CYS 18 -0.127 3.867 -0.716 60 2HB CYS 18 2HB CYS 18 1.511 4.287 -0.226 61 H SER 19 H SER 19 0.108 5.591 0.527 62 HA SER 19 HA SER 19 1.487 6.948 2.797 63 1HB SER 19 1HB SER 19 1.450 7.741 -0.141 64 2HB SER 19 2HB SER 19 2.423 8.497 1.139 65 HG SER 19 HG SER 19 2.964 6.320 -0.328 66 H GLU 20 H GLU 20 -1.161 6.589 2.773 67 HA GLU 20 HA GLU 20 -2.093 9.343 3.399 68 1HB GLU 20 1HB GLU 20 -2.934 8.790 1.176 69 2HB GLU 20 2HB GLU 20 -3.750 7.359 1.814 70 1HG GLU 20 1HG GLU 20 -5.225 8.748 3.183 71 2HG GLU 20 2HG GLU 20 -4.276 10.190 2.816 72 HA PRO 21 HA PRO 21 -2.792 6.843 7.074 73 1HB PRO 21 1HB PRO 21 -3.470 8.806 8.864 74 2HB PRO 21 2HB PRO 21 -1.822 8.646 8.186 75 1HG PRO 21 1HG PRO 21 -4.069 10.450 7.208 76 2HG PRO 21 2HG PRO 21 -2.382 10.913 7.613 77 1HD PRO 21 1HD PRO 21 -3.126 10.374 5.052 78 2HD PRO 21 2HD PRO 21 -1.530 9.857 5.675 79 HA PRO 22 HA PRO 22 -7.133 5.963 7.707 80 1HB PRO 22 1HB PRO 22 -6.649 6.440 10.655 81 2HB PRO 22 2HB PRO 22 -7.539 5.099 9.863 82 1HG PRO 22 1HG PRO 22 -5.038 4.715 10.714 83 2HG PRO 22 2HG PRO 22 -5.508 4.115 9.087 84 1HD PRO 22 1HD PRO 22 -3.991 6.648 9.789 85 2HD PRO 22 2HD PRO 22 -3.645 5.443 8.509 86 H GLY 23 H GLY 23 -9.113 6.729 8.746 87 1HA GLY 23 1HA GLY 23 -10.780 8.376 8.891 88 2HA GLY 23 2HA GLY 23 -9.537 9.573 9.255 89 H ALA 24 H ALA 24 -8.245 8.518 6.603 90 HA ALA 24 HA ALA 24 -10.060 9.670 4.553 91 1HB ALA 24 1HB ALA 24 -8.060 10.591 3.418 92 2HB ALA 24 2HB ALA 24 -8.296 11.310 5.023 93 3HB ALA 24 3HB ALA 24 -7.044 10.073 4.780 94 H HIS 25 H HIS 25 -10.758 7.471 4.456 95 HA HIS 25 HA HIS 25 -9.360 5.179 4.461 96 1HB HIS 25 1HB HIS 25 -11.900 5.758 2.880 97 2HB HIS 25 2HB HIS 25 -11.371 4.191 3.455 98 HD1 HIS 25 HD1 HIS 25 -13.701 6.784 4.448 99 HD2 HIS 25 HD2 HIS 25 -10.894 4.288 6.401 100 HE1 HIS 25 HE1 HIS 25 -14.354 6.755 6.940 101 HE2 HIS 25 HE2 HIS 25 -12.655 5.227 8.124 102 H GLY 26 H GLY 26 -9.916 7.006 1.611 103 1HA GLY 26 1HA GLY 26 -8.788 7.125 -0.439 104 2HA GLY 26 2HA GLY 26 -7.469 6.317 0.412 105 H GLU 27 H GLU 27 -6.847 5.230 -1.388 106 HA GLU 27 HA GLU 27 -8.323 2.756 -2.029 107 1HB GLU 27 1HB GLU 27 -8.861 4.422 -3.859 108 2HB GLU 27 2HB GLU 27 -7.134 4.606 -4.162 109 1HG GLU 27 1HG GLU 27 -8.048 3.129 -5.818 110 2HG GLU 27 2HG GLU 27 -7.002 2.182 -4.772 111 H CYS 28 H CYS 28 -7.315 1.225 -1.694 112 HA CYS 28 HA CYS 28 -4.653 1.102 -0.721 113 1HB CYS 28 1HB CYS 28 -6.740 -1.016 -1.344 114 2HB CYS 28 2HB CYS 28 -5.485 -1.103 -0.159 115 H TYR 29 H TYR 29 -3.613 -1.208 -1.301 116 HA TYR 29 HA TYR 29 -3.480 -1.802 -4.166 117 1HB TYR 29 1HB TYR 29 -1.026 -1.035 -2.514 118 2HB TYR 29 2HB TYR 29 -0.968 -1.626 -4.154 119 HD1 TYR 29 HD1 TYR 29 -1.793 -0.084 -6.064 120 HD2 TYR 29 HD2 TYR 29 -1.335 1.245 -1.978 121 HE1 TYR 29 HE1 TYR 29 -1.852 2.265 -6.824 122 HE2 TYR 29 HE2 TYR 29 -1.410 3.618 -2.760 123 HH TYR 29 HH TYR 29 -1.773 4.466 -6.216 124 HA PRO 30 HA PRO 30 -3.074 -5.894 -2.499 125 1HB PRO 30 1HB PRO 30 -0.897 -6.496 -4.438 126 2HB PRO 30 2HB PRO 30 -2.437 -7.360 -4.167 127 1HG PRO 30 1HG PRO 30 -2.078 -5.782 -6.371 128 2HG PRO 30 2HG PRO 30 -3.642 -5.781 -5.488 129 1HD PRO 30 1HD PRO 30 -1.357 -3.805 -5.253 130 2HD PRO 30 2HD PRO 30 -3.101 -3.479 -5.446 131 H GLN 31 H GLN 31 -1.809 -7.045 -1.068 132 HA GLN 31 HA GLN 31 0.769 -5.910 -0.160 133 1HB GLN 31 1HB GLN 31 -0.763 -8.423 0.692 134 2HB GLN 31 2HB GLN 31 0.698 -7.832 1.484 135 1HG GLN 31 1HG GLN 31 -0.412 -5.808 2.219 136 2HG GLN 31 2HG GLN 31 -1.877 -6.214 1.322 137 1HE2 GLN 31 1HE2 GLN 31 -3.201 -6.144 3.297 138 2HE2 GLN 31 2HE2 GLN 31 -3.023 -7.446 4.462 139 H ASP 32 H ASP 32 -0.076 -7.862 -2.682 140 HA ASP 32 HA ASP 32 2.405 -9.291 -3.015 141 1HB ASP 32 1HB ASP 32 0.138 -9.412 -4.339 142 2HB ASP 32 2HB ASP 32 0.689 -7.989 -5.175 143 H TRP 33 H TRP 33 1.262 -6.123 -3.460 144 HA TRP 33 HA TRP 33 3.851 -4.977 -4.233 145 1HB TRP 33 1HB TRP 33 1.238 -3.512 -3.987 146 2HB TRP 33 2HB TRP 33 2.740 -2.935 -4.655 147 HD1 TRP 33 HD1 TRP 33 2.133 -6.250 -6.186 148 HE1 TRP 33 HE1 TRP 33 0.915 -6.081 -8.428 149 HE3 TRP 33 HE3 TRP 33 0.872 -1.285 -6.048 150 HZ2 TRP 33 HZ2 TRP 33 -0.585 -4.110 -9.892 151 HZ3 TRP 33 HZ3 TRP 33 -0.442 -0.285 -7.914 152 HH2 TRP 33 HH2 TRP 33 -1.237 -1.696 -9.787 153 H LEU 34 H LEU 34 3.688 -6.134 -1.938 154 HA LEU 34 HA LEU 34 4.788 -3.957 -0.244 155 1HB LEU 34 1HB LEU 34 2.536 -4.757 0.679 156 2HB LEU 34 2HB LEU 34 3.256 -6.337 0.889 157 HG LEU 34 HG LEU 34 5.030 -5.215 2.370 158 1HD1 LEU 34 1HD1 LEU 34 4.557 -2.863 1.640 159 2HD1 LEU 34 2HD1 LEU 34 2.969 -2.976 2.416 160 3HD1 LEU 34 3HD1 LEU 34 4.450 -3.082 3.391 161 1HD2 LEU 34 1HD2 LEU 34 3.503 -5.156 4.328 162 2HD2 LEU 34 2HD2 LEU 34 2.101 -5.119 3.237 163 3HD2 LEU 34 3HD2 LEU 34 3.162 -6.547 3.287 164 H CYS 35 H CYS 35 6.889 -4.288 -0.514 165 HA CYS 35 HA CYS 35 8.829 -5.070 -1.134 166 1HB CYS 35 1HB CYS 35 8.907 -5.732 0.971 167 2HB CYS 35 2HB CYS 35 8.048 -7.230 0.749 168 H ASP 36 H ASP 36 7.719 -5.057 -3.204 169 HA ASP 36 HA ASP 36 7.294 -7.698 -4.560 170 1HB ASP 36 1HB ASP 36 5.754 -5.775 -5.023 171 2HB ASP 36 2HB ASP 36 7.117 -4.874 -5.672 172 H GLY 37 H GLY 37 9.751 -5.433 -3.848 173 1HA GLY 37 1HA GLY 37 12.070 -5.566 -4.418 174 2HA GLY 37 2HA GLY 37 11.664 -6.571 -5.821 175 H HIS 38 H HIS 38 9.565 -4.151 -5.551 176 HA HIS 38 HA HIS 38 10.794 -2.107 -7.273 177 1HB HIS 38 1HB HIS 38 9.981 -3.658 -8.876 178 2HB HIS 38 2HB HIS 38 8.542 -4.014 -7.960 179 HD1 HIS 38 HD1 HIS 38 9.821 -1.063 -10.164 180 HD2 HIS 38 HD2 HIS 38 6.454 -2.534 -8.095 181 HE1 HIS 38 HE1 HIS 38 7.861 0.541 -10.688 182 HE2 HIS 38 HE2 HIS 38 5.791 -0.403 -9.461 183 HA PRO 39 HA PRO 39 8.094 -0.025 -4.254 184 1HB PRO 39 1HB PRO 39 8.513 2.581 -5.160 185 2HB PRO 39 2HB PRO 39 9.346 1.716 -3.865 186 1HG PRO 39 1HG PRO 39 10.437 2.461 -6.484 187 2HG PRO 39 2HG PRO 39 11.276 1.662 -5.124 188 1HD PRO 39 1HD PRO 39 10.156 0.479 -7.581 189 2HD PRO 39 2HD PRO 39 11.280 -0.248 -6.408 190 H ASP 40 H ASP 40 6.081 0.978 -4.288 191 HA ASP 40 HA ASP 40 5.088 2.185 -6.808 192 1HB ASP 40 1HB ASP 40 4.553 -0.529 -6.442 193 2HB ASP 40 2HB ASP 40 3.102 0.224 -5.810 194 H CYS 41 H CYS 41 5.490 2.476 -3.624 195 HA CYS 41 HA CYS 41 2.820 2.887 -2.802 196 1HB CYS 41 1HB CYS 41 5.249 2.627 -1.500 197 2HB CYS 41 2HB CYS 41 4.500 4.070 -0.859 198 H ASP 42 H ASP 42 3.723 4.711 -4.787 199 HA ASP 42 HA ASP 42 4.355 6.769 -5.429 200 1HB ASP 42 1HB ASP 42 1.863 7.071 -5.098 201 2HB ASP 42 2HB ASP 42 2.212 7.819 -3.540 202 H ASP 43 H ASP 43 5.014 5.966 -2.425 203 HA ASP 43 HA ASP 43 7.261 7.850 -2.311 204 1HB ASP 43 1HB ASP 43 5.414 7.949 -0.459 205 2HB ASP 43 2HB ASP 43 6.212 6.504 0.126 206 H GLY 44 H GLY 44 6.389 4.853 -2.988 207 1HA GLY 44 1HA GLY 44 7.555 2.754 -3.111 208 2HA GLY 44 2HA GLY 44 9.040 3.623 -2.782 209 H ARG 45 H ARG 45 6.454 3.701 -0.566 210 HA ARG 45 HA ARG 45 8.245 2.587 1.547 211 1HB ARG 45 1HB ARG 45 6.871 3.513 3.234 212 2HB ARG 45 2HB ARG 45 7.233 4.774 2.065 213 1HG ARG 45 1HG ARG 45 4.973 4.637 1.141 214 2HG ARG 45 2HG ARG 45 4.612 3.218 2.137 215 1HD ARG 45 1HD ARG 45 3.574 5.148 3.117 216 2HD ARG 45 2HD ARG 45 4.873 4.579 4.178 217 HE ARG 45 HE ARG 45 5.762 6.672 2.351 218 1HH1 ARG 45 2HH1 ARG 45 3.986 6.323 5.345 219 2HH1 ARG 45 1HH1 ARG 45 4.429 7.926 5.880 220 1HH2 ARG 45 2HH2 ARG 45 6.343 8.584 3.082 221 2HH2 ARG 45 1HH2 ARG 45 5.728 9.212 4.610 222 H ASP 46 H ASP 46 6.459 1.193 -0.665 223 HA ASP 46 HA ASP 46 5.210 -0.775 1.007 224 1HB ASP 46 1HB ASP 46 4.918 -1.939 -1.139 225 2HB ASP 46 2HB ASP 46 4.110 -0.380 -1.130 226 H GLU 47 H GLU 47 8.127 -0.026 -0.724 227 HA GLU 47 HA GLU 47 9.216 -2.692 -0.534 228 1HB GLU 47 1HB GLU 47 10.383 0.030 -1.174 229 2HB GLU 47 2HB GLU 47 11.372 -1.413 -1.178 230 1HG GLU 47 1HG GLU 47 8.793 -1.342 -2.761 231 2HG GLU 47 2HG GLU 47 10.250 -0.589 -3.369 232 H TRP 48 H TRP 48 9.293 0.151 1.343 233 HA TRP 48 HA TRP 48 11.766 -0.060 2.588 234 1HB TRP 48 1HB TRP 48 9.334 1.332 3.711 235 2HB TRP 48 2HB TRP 48 10.990 1.530 4.263 236 HD1 TRP 48 HD1 TRP 48 11.239 1.573 0.593 237 HE1 TRP 48 HE1 TRP 48 10.891 3.884 -0.384 238 HE3 TRP 48 HE3 TRP 48 9.687 3.872 4.798 239 HZ2 TRP 48 HZ2 TRP 48 10.188 6.593 0.650 240 HZ3 TRP 48 HZ3 TRP 48 9.211 6.365 4.840 241 HH2 TRP 48 HH2 TRP 48 9.478 7.696 2.760 242 H GLY 49 H GLY 49 12.454 -1.496 3.611 243 1HA GLY 49 1HA GLY 49 13.049 -2.826 5.492 244 2HA GLY 49 2HA GLY 49 11.570 -2.280 6.290 245 H CYS 50 H CYS 50 10.680 -3.523 3.243 246 HA CYS 50 HA CYS 50 9.184 -5.101 2.812 247 1HB CYS 50 1HB CYS 50 11.427 -5.596 2.050 248 2HB CYS 50 2HB CYS 50 11.802 -6.395 3.548 249 H GLY 51 H GLY 51 8.872 -4.453 5.576 250 1HA GLY 51 1HA GLY 51 6.791 -6.101 6.443 251 2HA GLY 51 2HA GLY 51 8.234 -6.840 7.140 Start of MODEL 10 1 H SER 10 H SER 10 -5.909 -1.151 5.953 2 HA SER 10 HA SER 10 -7.708 -3.186 6.978 3 1HB SER 10 1HB SER 10 -7.873 -0.335 8.058 4 2HB SER 10 2HB SER 10 -9.252 -1.447 8.060 5 HG SER 10 HG SER 10 -6.773 -2.241 9.164 6 H CYS 11 H CYS 11 -8.135 -3.662 5.014 7 HA CYS 11 HA CYS 11 -9.891 -2.044 3.356 8 1HB CYS 11 1HB CYS 11 -7.165 -1.865 3.081 9 2HB CYS 11 2HB CYS 11 -7.458 -3.247 2.062 10 HA PRO 12 HA PRO 12 -10.961 -6.424 2.429 11 1HB PRO 12 1HB PRO 12 -9.660 -6.719 -0.250 12 2HB PRO 12 2HB PRO 12 -11.375 -6.973 0.182 13 1HG PRO 12 1HG PRO 12 -10.567 -4.797 -1.270 14 2HG PRO 12 2HG PRO 12 -11.883 -4.693 -0.056 15 1HD PRO 12 1HD PRO 12 -8.968 -3.950 0.271 16 2HD PRO 12 2HD PRO 12 -10.429 -3.029 0.738 17 HA PRO 13 HA PRO 13 -7.269 -8.649 3.501 18 1HB PRO 13 1HB PRO 13 -7.592 -11.242 2.681 19 2HB PRO 13 2HB PRO 13 -8.561 -10.520 4.005 20 1HG PRO 13 1HG PRO 13 -9.309 -10.795 1.083 21 2HG PRO 13 2HG PRO 13 -10.286 -11.259 2.517 22 1HD PRO 13 1HD PRO 13 -10.649 -8.895 1.228 23 2HD PRO 13 2HD PRO 13 -10.784 -8.989 3.012 24 H GLY 14 H GLY 14 -5.370 -9.252 2.871 25 1HA GLY 14 1HA GLY 14 -3.462 -9.153 1.620 26 2HA GLY 14 2HA GLY 14 -4.383 -9.730 0.233 27 H GLN 15 H GLN 15 -5.282 -6.624 1.774 28 HA GLN 15 HA GLN 15 -3.900 -5.066 -0.285 29 1HB GLN 15 1HB GLN 15 -6.843 -5.270 0.126 30 2HB GLN 15 2HB GLN 15 -6.167 -3.671 -0.202 31 1HG GLN 15 1HG GLN 15 -5.348 -4.246 -2.305 32 2HG GLN 15 2HG GLN 15 -5.268 -5.969 -1.937 33 1HE2 GLN 15 2HE2 GLN 15 -7.384 -7.103 -1.540 34 2HE2 GLN 15 1HE2 GLN 15 -8.610 -6.685 -2.732 35 H PHE 16 H PHE 16 -2.977 -3.412 0.518 36 HA PHE 16 HA PHE 16 -3.808 -2.191 3.158 37 1HB PHE 16 1HB PHE 16 -1.613 -2.043 3.953 38 2HB PHE 16 2HB PHE 16 -1.674 -3.649 3.264 39 HD1 PHE 16 HD1 PHE 16 -0.839 -3.865 0.800 40 HD2 PHE 16 HD2 PHE 16 0.078 -0.498 3.291 41 HE1 PHE 16 HE1 PHE 16 1.002 -3.254 -0.731 42 HE2 PHE 16 HE2 PHE 16 1.848 0.196 1.714 43 HZ PHE 16 HZ PHE 16 2.309 -1.236 -0.350 44 H ARG 17 H ARG 17 -3.118 0.116 3.467 45 HA ARG 17 HA ARG 17 -2.883 1.588 0.881 46 1HB ARG 17 1HB ARG 17 -3.748 3.527 1.972 47 2HB ARG 17 2HB ARG 17 -4.856 2.143 2.107 48 1HG ARG 17 1HG ARG 17 -4.137 1.805 4.469 49 2HG ARG 17 2HG ARG 17 -3.053 3.195 4.331 50 1HD ARG 17 1HD ARG 17 -5.117 3.852 5.461 51 2HD ARG 17 2HD ARG 17 -4.951 4.690 3.922 52 HE ARG 17 HE ARG 17 -6.882 3.683 3.144 53 1HH1 ARG 17 1HH1 ARG 17 -6.015 1.844 6.025 54 2HH1 ARG 17 2HH1 ARG 17 -7.471 0.868 5.840 55 1HH2 ARG 17 1HH2 ARG 17 -8.590 2.394 3.043 56 2HH2 ARG 17 2HH2 ARG 17 -8.803 1.103 4.228 57 H CYS 18 H CYS 18 -1.537 3.186 0.567 58 HA CYS 18 HA CYS 18 1.119 2.734 1.728 59 1HB CYS 18 1HB CYS 18 -0.028 3.952 -0.774 60 2HB CYS 18 2HB CYS 18 1.618 4.351 -0.295 61 H SER 19 H SER 19 0.223 5.709 0.416 62 HA SER 19 HA SER 19 1.591 7.135 2.633 63 1HB SER 19 1HB SER 19 2.343 8.719 0.802 64 2HB SER 19 2HB SER 19 2.906 7.052 0.634 65 HG SER 19 HG SER 19 1.983 7.007 -1.221 66 H GLU 20 H GLU 20 -1.060 6.706 2.636 67 HA GLU 20 HA GLU 20 -2.014 9.411 3.374 68 1HB GLU 20 1HB GLU 20 -2.890 8.965 1.145 69 2HB GLU 20 2HB GLU 20 -3.652 7.478 1.706 70 1HG GLU 20 1HG GLU 20 -5.151 8.734 3.176 71 2HG GLU 20 2HG GLU 20 -4.267 10.229 2.862 72 HA PRO 21 HA PRO 21 -2.688 6.767 6.958 73 1HB PRO 21 1HB PRO 21 -3.569 8.639 8.767 74 2HB PRO 21 2HB PRO 21 -1.884 8.587 8.167 75 1HG PRO 21 1HG PRO 21 -4.179 10.299 7.142 76 2HG PRO 21 2HG PRO 21 -2.534 10.833 7.625 77 1HD PRO 21 1HD PRO 21 -3.156 10.336 5.026 78 2HD PRO 21 2HD PRO 21 -1.559 9.884 5.691 79 HA PRO 22 HA PRO 22 -7.045 5.766 7.205 80 1HB PRO 22 1HB PRO 22 -7.460 5.025 9.816 81 2HB PRO 22 2HB PRO 22 -6.529 4.041 8.646 82 1HG PRO 22 1HG PRO 22 -5.453 6.028 10.675 83 2HG PRO 22 2HG PRO 22 -4.945 4.332 10.395 84 1HD PRO 22 1HD PRO 22 -3.595 6.409 9.289 85 2HD PRO 22 2HD PRO 22 -3.855 4.905 8.360 86 H GLY 23 H GLY 23 -9.058 6.271 8.470 87 1HA GLY 23 1HA GLY 23 -10.661 7.918 8.960 88 2HA GLY 23 2HA GLY 23 -9.374 9.050 9.368 89 H ALA 24 H ALA 24 -8.172 8.269 6.611 90 HA ALA 24 HA ALA 24 -10.098 9.486 4.702 91 1HB ALA 24 1HB ALA 24 -8.171 10.521 3.539 92 2HB ALA 24 2HB ALA 24 -8.353 11.143 5.191 93 3HB ALA 24 3HB ALA 24 -7.085 9.953 4.827 94 H HIS 25 H HIS 25 -10.738 7.250 4.539 95 HA HIS 25 HA HIS 25 -9.220 5.037 4.389 96 1HB HIS 25 1HB HIS 25 -11.894 5.518 3.007 97 2HB HIS 25 2HB HIS 25 -11.241 3.967 3.487 98 HD1 HIS 25 HD1 HIS 25 -13.600 6.432 4.748 99 HD2 HIS 25 HD2 HIS 25 -10.599 3.926 6.373 100 HE1 HIS 25 HE1 HIS 25 -14.089 6.243 7.270 101 HE2 HIS 25 HE2 HIS 25 -12.273 4.709 8.256 102 H GLY 26 H GLY 26 -10.095 6.891 1.631 103 1HA GLY 26 1HA GLY 26 -9.295 7.005 -0.572 104 2HA GLY 26 2HA GLY 26 -7.778 6.473 0.154 105 H GLU 27 H GLU 27 -7.079 5.249 -1.475 106 HA GLU 27 HA GLU 27 -8.380 2.616 -1.982 107 1HB GLU 27 1HB GLU 27 -9.028 4.153 -3.854 108 2HB GLU 27 2HB GLU 27 -7.319 4.451 -4.192 109 1HG GLU 27 1HG GLU 27 -6.988 2.071 -4.740 110 2HG GLU 27 2HG GLU 27 -8.648 1.705 -4.262 111 H CYS 28 H CYS 28 -7.285 1.265 -1.303 112 HA CYS 28 HA CYS 28 -4.568 1.167 -0.622 113 1HB CYS 28 1HB CYS 28 -6.699 -0.946 -1.111 114 2HB CYS 28 2HB CYS 28 -5.320 -1.123 -0.108 115 H TYR 29 H TYR 29 -3.554 -1.105 -1.256 116 HA TYR 29 HA TYR 29 -3.511 -1.703 -4.128 117 1HB TYR 29 1HB TYR 29 -1.019 -0.953 -2.523 118 2HB TYR 29 2HB TYR 29 -0.987 -1.555 -4.159 119 HD1 TYR 29 HD1 TYR 29 -1.828 -0.024 -6.068 120 HD2 TYR 29 HD2 TYR 29 -1.301 1.334 -1.999 121 HE1 TYR 29 HE1 TYR 29 -1.861 2.319 -6.848 122 HE2 TYR 29 HE2 TYR 29 -1.348 3.701 -2.802 123 HH TYR 29 HH TYR 29 -1.732 4.524 -6.261 124 HA PRO 30 HA PRO 30 -3.099 -5.793 -2.462 125 1HB PRO 30 1HB PRO 30 -0.952 -6.424 -4.425 126 2HB PRO 30 2HB PRO 30 -2.498 -7.270 -4.134 127 1HG PRO 30 1HG PRO 30 -2.143 -5.699 -6.347 128 2HG PRO 30 2HG PRO 30 -3.700 -5.688 -5.453 129 1HD PRO 30 1HD PRO 30 -1.405 -3.722 -5.246 130 2HD PRO 30 2HD PRO 30 -3.151 -3.390 -5.412 131 H GLN 31 H GLN 31 -1.835 -6.935 -1.040 132 HA GLN 31 HA GLN 31 0.764 -5.831 -0.157 133 1HB GLN 31 1HB GLN 31 -0.807 -8.311 0.720 134 2HB GLN 31 2HB GLN 31 0.683 -7.759 1.487 135 1HG GLN 31 1HG GLN 31 -0.362 -5.701 2.228 136 2HG GLN 31 2HG GLN 31 -1.854 -6.078 1.363 137 1HE2 GLN 31 1HE2 GLN 31 -3.141 -5.974 3.361 138 2HE2 GLN 31 2HE2 GLN 31 -2.968 -7.274 4.529 139 H ASP 32 H ASP 32 -0.117 -7.782 -2.668 140 HA ASP 32 HA ASP 32 2.340 -9.250 -3.008 141 1HB ASP 32 1HB ASP 32 0.070 -9.346 -4.321 142 2HB ASP 32 2HB ASP 32 0.623 -7.925 -5.156 143 H TRP 33 H TRP 33 1.246 -6.068 -3.458 144 HA TRP 33 HA TRP 33 3.854 -4.964 -4.239 145 1HB TRP 33 1HB TRP 33 1.263 -3.458 -3.998 146 2HB TRP 33 2HB TRP 33 2.768 -2.916 -4.687 147 HD1 TRP 33 HD1 TRP 33 2.099 -6.229 -6.188 148 HE1 TRP 33 HE1 TRP 33 0.842 -6.063 -8.409 149 HE3 TRP 33 HE3 TRP 33 0.885 -1.254 -6.055 150 HZ2 TRP 33 HZ2 TRP 33 -0.658 -4.084 -9.862 151 HZ3 TRP 33 HZ3 TRP 33 -0.449 -0.251 -7.907 152 HH2 TRP 33 HH2 TRP 33 -1.281 -1.663 -9.764 153 H LEU 34 H LEU 34 3.674 -6.103 -1.943 154 HA LEU 34 HA LEU 34 4.801 -3.931 -0.261 155 1HB LEU 34 1HB LEU 34 2.542 -4.704 0.671 156 2HB LEU 34 2HB LEU 34 3.249 -6.291 0.888 157 HG LEU 34 HG LEU 34 5.036 -5.178 2.358 158 1HD1 LEU 34 1HD1 LEU 34 4.584 -2.828 1.608 159 2HD1 LEU 34 2HD1 LEU 34 3.000 -2.917 2.394 160 3HD1 LEU 34 3HD1 LEU 34 4.486 -3.030 3.363 161 1HD2 LEU 34 1HD2 LEU 34 2.116 -5.035 3.241 162 2HD2 LEU 34 2HD2 LEU 34 3.149 -6.482 3.285 163 3HD2 LEU 34 3HD2 LEU 34 3.526 -5.095 4.320 164 H CYS 35 H CYS 35 6.896 -4.286 -0.517 165 HA CYS 35 HA CYS 35 8.841 -5.093 -1.110 166 1HB CYS 35 1HB CYS 35 8.871 -5.759 1.002 167 2HB CYS 35 2HB CYS 35 7.992 -7.240 0.766 168 H ASP 36 H ASP 36 7.735 -5.070 -3.197 169 HA ASP 36 HA ASP 36 7.325 -7.715 -4.546 170 1HB ASP 36 1HB ASP 36 5.790 -5.788 -5.026 171 2HB ASP 36 2HB ASP 36 7.160 -4.899 -5.676 172 H GLY 37 H GLY 37 9.785 -5.464 -3.812 173 1HA GLY 37 1HA GLY 37 12.104 -5.598 -4.364 174 2HA GLY 37 2HA GLY 37 11.710 -6.612 -5.767 175 H HIS 38 H HIS 38 9.615 -4.185 -5.524 176 HA HIS 38 HA HIS 38 10.854 -2.159 -7.258 177 1HB HIS 38 1HB HIS 38 10.032 -3.714 -8.849 178 2HB HIS 38 2HB HIS 38 8.599 -4.068 -7.923 179 HD1 HIS 38 HD1 HIS 38 9.852 -1.144 -10.169 180 HD2 HIS 38 HD2 HIS 38 6.503 -2.594 -8.057 181 HE1 HIS 38 HE1 HIS 38 7.882 0.441 -10.713 182 HE2 HIS 38 HE2 HIS 38 5.824 -0.487 -9.453 183 HA PRO 39 HA PRO 39 8.162 -0.047 -4.245 184 1HB PRO 39 1HB PRO 39 8.588 2.552 -5.192 185 2HB PRO 39 2HB PRO 39 9.396 1.708 -3.868 186 1HG PRO 39 1HG PRO 39 10.569 2.425 -6.441 187 2HG PRO 39 2HG PRO 39 11.343 1.565 -5.081 188 1HD PRO 39 1HD PRO 39 10.184 0.471 -7.576 189 2HD PRO 39 2HD PRO 39 11.339 -0.286 -6.453 190 H ASP 40 H ASP 40 6.138 0.950 -4.295 191 HA ASP 40 HA ASP 40 5.151 2.131 -6.829 192 1HB ASP 40 1HB ASP 40 4.623 -0.576 -6.437 193 2HB ASP 40 2HB ASP 40 3.175 0.174 -5.794 194 H CYS 41 H CYS 41 5.551 2.460 -3.648 195 HA CYS 41 HA CYS 41 2.881 2.877 -2.835 196 1HB CYS 41 1HB CYS 41 5.302 2.619 -1.528 197 2HB CYS 41 2HB CYS 41 4.564 4.076 -0.902 198 H ASP 42 H ASP 42 3.776 4.676 -4.837 199 HA ASP 42 HA ASP 42 4.435 6.714 -5.512 200 1HB ASP 42 1HB ASP 42 1.944 7.045 -5.195 201 2HB ASP 42 2HB ASP 42 2.297 7.823 -3.653 202 H ASP 43 H ASP 43 5.062 5.963 -2.492 203 HA ASP 43 HA ASP 43 7.300 7.858 -2.314 204 1HB ASP 43 1HB ASP 43 5.404 7.956 -0.543 205 2HB ASP 43 2HB ASP 43 6.103 6.457 0.032 206 H GLY 44 H GLY 44 6.453 4.848 -3.025 207 1HA GLY 44 1HA GLY 44 7.617 2.751 -3.126 208 2HA GLY 44 2HA GLY 44 9.099 3.622 -2.791 209 H ARG 45 H ARG 45 6.504 3.700 -0.588 210 HA ARG 45 HA ARG 45 8.288 2.599 1.540 211 1HB ARG 45 1HB ARG 45 6.920 3.544 3.213 212 2HB ARG 45 2HB ARG 45 7.247 4.798 2.027 213 1HG ARG 45 1HG ARG 45 4.978 4.603 1.123 214 2HG ARG 45 2HG ARG 45 4.662 3.187 2.139 215 1HD ARG 45 1HD ARG 45 3.579 5.045 3.134 216 2HD ARG 45 2HD ARG 45 4.947 4.604 4.164 217 HE ARG 45 HE ARG 45 5.855 6.651 2.406 218 1HH1 ARG 45 1HH1 ARG 45 3.501 6.438 4.995 219 2HH1 ARG 45 2HH1 ARG 45 3.727 8.117 5.421 220 1HH2 ARG 45 1HH2 ARG 45 6.108 8.645 2.977 221 2HH2 ARG 45 2HH2 ARG 45 5.179 9.381 4.287 222 H ASP 46 H ASP 46 6.514 1.195 -0.674 223 HA ASP 46 HA ASP 46 5.257 -0.767 0.999 224 1HB ASP 46 1HB ASP 46 4.947 -1.925 -1.143 225 2HB ASP 46 2HB ASP 46 4.170 -0.350 -1.149 226 H GLU 47 H GLU 47 8.178 -0.026 -0.724 227 HA GLU 47 HA GLU 47 9.259 -2.697 -0.535 228 1HB GLU 47 1HB GLU 47 10.434 0.024 -1.168 229 2HB GLU 47 2HB GLU 47 11.425 -1.418 -1.158 230 1HG GLU 47 1HG GLU 47 8.860 -1.371 -2.759 231 2HG GLU 47 2HG GLU 47 10.313 -0.602 -3.360 232 H TRP 48 H TRP 48 9.336 0.138 1.356 233 HA TRP 48 HA TRP 48 11.805 -0.062 2.599 234 1HB TRP 48 1HB TRP 48 9.356 1.298 3.726 235 2HB TRP 48 2HB TRP 48 11.005 1.508 4.290 236 HD1 TRP 48 HD1 TRP 48 11.254 1.580 0.614 237 HE1 TRP 48 HE1 TRP 48 10.883 3.894 -0.342 238 HE3 TRP 48 HE3 TRP 48 9.710 3.832 4.846 239 HZ2 TRP 48 HZ2 TRP 48 10.145 6.589 0.715 240 HZ3 TRP 48 HZ3 TRP 48 9.208 6.318 4.912 241 HH2 TRP 48 HH2 TRP 48 9.441 7.666 2.839 242 H GLY 49 H GLY 49 12.513 -1.490 3.618 243 1HA GLY 49 1HA GLY 49 13.108 -2.880 5.451 244 2HA GLY 49 2HA GLY 49 11.666 -2.297 6.291 245 H CYS 50 H CYS 50 10.724 -3.529 3.237 246 HA CYS 50 HA CYS 50 9.178 -5.058 2.816 247 1HB CYS 50 1HB CYS 50 11.401 -5.655 2.088 248 2HB CYS 50 2HB CYS 50 11.735 -6.436 3.604 249 H GLY 51 H GLY 51 8.841 -4.333 5.550 250 1HA GLY 51 1HA GLY 51 6.806 -6.198 6.390 251 2HA GLY 51 2HA GLY 51 8.261 -6.446 7.356 Start of MODEL 11 1 H SER 10 H SER 10 -6.727 -0.371 5.394 2 HA SER 10 HA SER 10 -8.248 -2.458 6.754 3 1HB SER 10 1HB SER 10 -9.940 -0.870 7.667 4 2HB SER 10 2HB SER 10 -8.373 -0.802 8.485 5 HG SER 10 HG SER 10 -9.258 1.267 8.065 6 H CYS 11 H CYS 11 -8.481 -3.326 4.853 7 HA CYS 11 HA CYS 11 -10.248 -2.219 2.825 8 1HB CYS 11 1HB CYS 11 -7.487 -1.758 2.821 9 2HB CYS 11 2HB CYS 11 -7.600 -3.223 1.890 10 HA PRO 12 HA PRO 12 -10.946 -6.569 2.394 11 1HB PRO 12 1HB PRO 12 -9.731 -6.979 -0.333 12 2HB PRO 12 2HB PRO 12 -11.404 -7.322 0.197 13 1HG PRO 12 1HG PRO 12 -10.826 -5.169 -1.387 14 2HG PRO 12 2HG PRO 12 -12.047 -5.056 -0.078 15 1HD PRO 12 1HD PRO 12 -9.141 -4.200 -0.006 16 2HD PRO 12 2HD PRO 12 -10.583 -3.287 0.515 17 HA PRO 13 HA PRO 13 -7.281 -8.781 3.576 18 1HB PRO 13 1HB PRO 13 -8.373 -11.166 2.029 19 2HB PRO 13 2HB PRO 13 -7.648 -11.137 3.673 20 1HG PRO 13 1HG PRO 13 -10.328 -11.195 3.427 21 2HG PRO 13 2HG PRO 13 -9.567 -10.039 4.574 22 1HD PRO 13 1HD PRO 13 -10.604 -9.483 1.775 23 2HD PRO 13 2HD PRO 13 -10.863 -8.555 3.288 24 H GLY 14 H GLY 14 -5.367 -9.046 3.018 25 1HA GLY 14 1HA GLY 14 -3.430 -9.038 1.781 26 2HA GLY 14 2HA GLY 14 -4.305 -9.692 0.405 27 H GLN 15 H GLN 15 -5.376 -6.585 1.798 28 HA GLN 15 HA GLN 15 -3.927 -5.049 -0.238 29 1HB GLN 15 1HB GLN 15 -6.886 -5.197 0.062 30 2HB GLN 15 2HB GLN 15 -6.159 -3.631 -0.299 31 1HG GLN 15 1HG GLN 15 -5.272 -4.311 -2.342 32 2HG GLN 15 2HG GLN 15 -5.270 -6.023 -1.909 33 1HE2 GLN 15 1HE2 GLN 15 -7.329 -7.162 -1.740 34 2HE2 GLN 15 2HE2 GLN 15 -8.574 -6.652 -2.874 35 H PHE 16 H PHE 16 -2.958 -3.449 0.599 36 HA PHE 16 HA PHE 16 -3.777 -2.216 3.238 37 1HB PHE 16 1HB PHE 16 -1.575 -2.081 3.989 38 2HB PHE 16 2HB PHE 16 -1.649 -3.679 3.285 39 HD1 PHE 16 HD1 PHE 16 0.106 -0.532 3.316 40 HD2 PHE 16 HD2 PHE 16 -0.831 -3.880 0.808 41 HE1 PHE 16 HE1 PHE 16 1.864 0.171 1.733 42 HE2 PHE 16 HE2 PHE 16 1.003 -3.263 -0.726 43 HZ PHE 16 HZ PHE 16 2.319 -1.252 -0.340 44 H ARG 17 H ARG 17 -2.901 0.116 3.523 45 HA ARG 17 HA ARG 17 -2.794 1.540 0.897 46 1HB ARG 17 1HB ARG 17 -3.707 3.471 1.915 47 2HB ARG 17 2HB ARG 17 -4.764 2.065 2.200 48 1HG ARG 17 1HG ARG 17 -3.914 1.908 4.538 49 2HG ARG 17 2HG ARG 17 -2.862 3.301 4.243 50 1HD ARG 17 1HD ARG 17 -4.819 4.087 5.412 51 2HD ARG 17 2HD ARG 17 -4.854 4.704 3.766 52 HE ARG 17 HE ARG 17 -6.761 3.456 3.292 53 1HH1 ARG 17 2HH2 ARG 17 -5.655 2.397 6.464 54 2HH1 ARG 17 1HH2 ARG 17 -7.188 1.573 6.731 55 1HH2 ARG 17 2HH1 ARG 17 -8.484 2.252 3.667 56 2HH2 ARG 17 1HH1 ARG 17 -8.672 1.397 5.187 57 H CYS 18 H CYS 18 -1.566 3.271 0.601 58 HA CYS 18 HA CYS 18 1.148 2.954 1.737 59 1HB CYS 18 1HB CYS 18 -0.042 4.016 -0.821 60 2HB CYS 18 2HB CYS 18 1.604 4.430 -0.358 61 H SER 19 H SER 19 0.143 5.803 0.241 62 HA SER 19 HA SER 19 1.553 7.373 2.299 63 1HB SER 19 1HB SER 19 2.007 8.959 0.410 64 2HB SER 19 2HB SER 19 2.527 7.303 0.064 65 HG SER 19 HG SER 19 1.373 8.153 -1.697 66 H GLU 20 H GLU 20 -1.101 6.803 2.551 67 HA GLU 20 HA GLU 20 -2.167 9.475 3.293 68 1HB GLU 20 1HB GLU 20 -3.096 8.971 1.123 69 2HB GLU 20 2HB GLU 20 -3.743 7.438 1.695 70 1HG GLU 20 1HG GLU 20 -5.288 8.584 3.203 71 2HG GLU 20 2HG GLU 20 -4.505 10.135 2.891 72 HA PRO 21 HA PRO 21 -2.577 6.918 6.980 73 1HB PRO 21 1HB PRO 21 -3.418 8.829 8.768 74 2HB PRO 21 2HB PRO 21 -1.764 8.798 8.088 75 1HG PRO 21 1HG PRO 21 -4.149 10.416 7.123 76 2HG PRO 21 2HG PRO 21 -2.498 11.007 7.509 77 1HD PRO 21 1HD PRO 21 -3.227 10.411 4.961 78 2HD PRO 21 2HD PRO 21 -1.589 10.018 5.563 79 HA PRO 22 HA PRO 22 -6.881 5.811 7.479 80 1HB PRO 22 1HB PRO 22 -7.181 5.234 10.153 81 2HB PRO 22 2HB PRO 22 -6.276 4.197 9.008 82 1HG PRO 22 1HG PRO 22 -5.168 6.332 10.861 83 2HG PRO 22 2HG PRO 22 -4.629 4.634 10.665 84 1HD PRO 22 1HD PRO 22 -3.372 6.657 9.378 85 2HD PRO 22 2HD PRO 22 -3.648 5.100 8.548 86 H GLY 23 H GLY 23 -8.869 6.316 8.784 87 1HA GLY 23 1HA GLY 23 -10.516 7.932 9.228 88 2HA GLY 23 2HA GLY 23 -9.261 9.143 9.483 89 H ALA 24 H ALA 24 -8.243 8.035 6.710 90 HA ALA 24 HA ALA 24 -10.262 9.112 4.830 91 1HB ALA 24 1HB ALA 24 -7.290 9.807 4.827 92 2HB ALA 24 2HB ALA 24 -8.455 10.235 3.555 93 3HB ALA 24 3HB ALA 24 -8.632 10.915 5.184 94 H HIS 25 H HIS 25 -10.765 6.851 4.674 95 HA HIS 25 HA HIS 25 -9.087 4.742 4.532 96 1HB HIS 25 1HB HIS 25 -11.832 5.046 3.245 97 2HB HIS 25 2HB HIS 25 -11.052 3.526 3.631 98 HD1 HIS 25 HD1 HIS 25 -10.352 3.401 6.480 99 HD2 HIS 25 HD2 HIS 25 -13.532 5.813 5.064 100 HE1 HIS 25 HE1 HIS 25 -11.852 3.912 8.514 101 HE2 HIS 25 HE2 HIS 25 -13.783 5.377 7.646 102 H GLY 26 H GLY 26 -10.137 6.510 1.777 103 1HA GLY 26 1HA GLY 26 -9.308 6.738 -0.396 104 2HA GLY 26 2HA GLY 26 -7.773 6.333 0.367 105 H GLU 27 H GLU 27 -7.085 5.467 -1.544 106 HA GLU 27 HA GLU 27 -8.126 2.759 -2.353 107 1HB GLU 27 1HB GLU 27 -6.763 4.919 -4.033 108 2HB GLU 27 2HB GLU 27 -7.036 3.269 -4.579 109 1HG GLU 27 1HG GLU 27 -9.199 5.281 -3.816 110 2HG GLU 27 2HG GLU 27 -8.720 4.851 -5.453 111 H CYS 28 H CYS 28 -7.202 1.479 -1.321 112 HA CYS 28 HA CYS 28 -4.555 1.111 -0.499 113 1HB CYS 28 1HB CYS 28 -6.700 -0.881 -1.307 114 2HB CYS 28 2HB CYS 28 -5.510 -1.088 -0.086 115 H TYR 29 H TYR 29 -3.567 -1.117 -1.206 116 HA TYR 29 HA TYR 29 -3.518 -1.701 -4.070 117 1HB TYR 29 1HB TYR 29 -1.015 -0.925 -2.493 118 2HB TYR 29 2HB TYR 29 -0.993 -1.560 -4.118 119 HD1 TYR 29 HD1 TYR 29 -1.821 -0.086 -6.055 120 HD2 TYR 29 HD2 TYR 29 -1.349 1.382 -2.017 121 HE1 TYR 29 HE1 TYR 29 -1.893 2.238 -6.892 122 HE2 TYR 29 HE2 TYR 29 -1.433 3.725 -2.876 123 HH TYR 29 HH TYR 29 -1.819 4.458 -6.358 124 HA PRO 30 HA PRO 30 -3.083 -5.787 -2.402 125 1HB PRO 30 1HB PRO 30 -0.963 -6.443 -4.375 126 2HB PRO 30 2HB PRO 30 -2.521 -7.262 -4.075 127 1HG PRO 30 1HG PRO 30 -2.141 -5.694 -6.295 128 2HG PRO 30 2HG PRO 30 -3.701 -5.678 -5.407 129 1HD PRO 30 1HD PRO 30 -1.401 -3.719 -5.198 130 2HD PRO 30 2HD PRO 30 -3.148 -3.385 -5.358 131 H GLN 31 H GLN 31 -1.828 -6.906 -0.973 132 HA GLN 31 HA GLN 31 0.796 -5.840 -0.132 133 1HB GLN 31 1HB GLN 31 -0.799 -8.295 0.761 134 2HB GLN 31 2HB GLN 31 0.708 -7.768 1.516 135 1HG GLN 31 1HG GLN 31 -0.271 -5.722 2.304 136 2HG GLN 31 2HG GLN 31 -1.751 -5.981 1.380 137 1HE2 GLN 31 1HE2 GLN 31 0.030 -8.319 3.553 138 2HE2 GLN 31 2HE2 GLN 31 -1.376 -8.521 4.593 139 H ASP 32 H ASP 32 -0.112 -7.789 -2.621 140 HA ASP 32 HA ASP 32 2.333 -9.278 -2.977 141 1HB ASP 32 1HB ASP 32 0.052 -9.363 -4.274 142 2HB ASP 32 2HB ASP 32 0.610 -7.950 -5.119 143 H TRP 33 H TRP 33 1.257 -6.091 -3.433 144 HA TRP 33 HA TRP 33 3.868 -5.002 -4.226 145 1HB TRP 33 1HB TRP 33 1.287 -3.482 -3.986 146 2HB TRP 33 2HB TRP 33 2.792 -2.956 -4.685 147 HD1 TRP 33 HD1 TRP 33 2.122 -6.271 -6.165 148 HE1 TRP 33 HE1 TRP 33 0.850 -6.124 -8.379 149 HE3 TRP 33 HE3 TRP 33 0.877 -1.302 -6.050 150 HZ2 TRP 33 HZ2 TRP 33 -0.667 -4.161 -9.836 151 HZ3 TRP 33 HZ3 TRP 33 -0.467 -0.315 -7.903 152 HH2 TRP 33 HH2 TRP 33 -1.299 -1.742 -9.751 153 H LEU 34 H LEU 34 3.703 -6.133 -1.933 154 HA LEU 34 HA LEU 34 4.830 -3.955 -0.258 155 1HB LEU 34 1HB LEU 34 2.583 -4.756 0.686 156 2HB LEU 34 2HB LEU 34 3.316 -6.333 0.900 157 HG LEU 34 HG LEU 34 5.109 -5.166 2.340 158 1HD1 LEU 34 1HD1 LEU 34 4.488 -3.045 3.365 159 2HD1 LEU 34 2HD1 LEU 34 4.548 -2.832 1.608 160 3HD1 LEU 34 3HD1 LEU 34 2.982 -2.988 2.420 161 1HD2 LEU 34 1HD2 LEU 34 3.615 -5.152 4.325 162 2HD2 LEU 34 2HD2 LEU 34 2.196 -5.165 3.257 163 3HD2 LEU 34 3HD2 LEU 34 3.304 -6.556 3.289 164 H CYS 35 H CYS 35 6.927 -4.294 -0.519 165 HA CYS 35 HA CYS 35 8.874 -5.077 -1.130 166 1HB CYS 35 1HB CYS 35 8.936 -5.735 0.980 167 2HB CYS 35 2HB CYS 35 8.073 -7.231 0.755 168 H ASP 36 H ASP 36 7.756 -5.072 -3.209 169 HA ASP 36 HA ASP 36 7.360 -7.720 -4.555 170 1HB ASP 36 1HB ASP 36 5.812 -5.803 -5.025 171 2HB ASP 36 2HB ASP 36 7.174 -4.904 -5.682 172 H GLY 37 H GLY 37 9.808 -5.451 -3.834 173 1HA GLY 37 1HA GLY 37 12.126 -5.575 -4.388 174 2HA GLY 37 2HA GLY 37 11.735 -6.593 -5.788 175 H HIS 38 H HIS 38 9.628 -4.173 -5.542 176 HA HIS 38 HA HIS 38 10.853 -2.144 -7.282 177 1HB HIS 38 1HB HIS 38 10.034 -3.704 -8.872 178 2HB HIS 38 2HB HIS 38 8.609 -4.070 -7.938 179 HD1 HIS 38 HD1 HIS 38 9.822 -1.143 -10.200 180 HD2 HIS 38 HD2 HIS 38 6.501 -2.612 -8.056 181 HE1 HIS 38 HE1 HIS 38 7.835 0.422 -10.734 182 HE2 HIS 38 HE2 HIS 38 5.791 -0.520 -9.458 183 HA PRO 39 HA PRO 39 8.167 -0.030 -4.272 184 1HB PRO 39 1HB PRO 39 8.530 2.565 -5.218 185 2HB PRO 39 2HB PRO 39 9.426 1.729 -3.947 186 1HG PRO 39 1HG PRO 39 10.380 2.444 -6.638 187 2HG PRO 39 2HG PRO 39 11.309 1.731 -5.288 188 1HD PRO 39 1HD PRO 39 10.162 0.419 -7.657 189 2HD PRO 39 2HD PRO 39 11.320 -0.239 -6.480 190 H ASP 40 H ASP 40 6.126 0.926 -4.310 191 HA ASP 40 HA ASP 40 5.113 2.097 -6.837 192 1HB ASP 40 1HB ASP 40 4.598 -0.614 -6.441 193 2HB ASP 40 2HB ASP 40 3.148 0.135 -5.797 194 H CYS 41 H CYS 41 5.551 2.440 -3.665 195 HA CYS 41 HA CYS 41 2.876 2.868 -2.840 196 1HB CYS 41 1HB CYS 41 5.287 2.568 -1.534 197 2HB CYS 41 2HB CYS 41 4.602 4.058 -0.926 198 H ASP 42 H ASP 42 3.793 4.637 -4.861 199 HA ASP 42 HA ASP 42 4.477 6.662 -5.557 200 1HB ASP 42 1HB ASP 42 1.992 7.013 -5.263 201 2HB ASP 42 2HB ASP 42 2.333 7.796 -3.721 202 H ASP 43 H ASP 43 5.074 5.952 -2.516 203 HA ASP 43 HA ASP 43 7.317 7.838 -2.334 204 1HB ASP 43 1HB ASP 43 5.404 7.916 -0.568 205 2HB ASP 43 2HB ASP 43 6.127 6.428 0.008 206 H GLY 44 H GLY 44 6.464 4.822 -3.041 207 1HA GLY 44 1HA GLY 44 7.623 2.726 -3.137 208 2HA GLY 44 2HA GLY 44 9.108 3.597 -2.803 209 H ARG 45 H ARG 45 6.502 3.687 -0.606 210 HA ARG 45 HA ARG 45 8.284 2.598 1.528 211 1HB ARG 45 1HB ARG 45 6.923 3.542 3.198 212 2HB ARG 45 2HB ARG 45 7.226 4.795 2.005 213 1HG ARG 45 1HG ARG 45 4.948 4.582 1.130 214 2HG ARG 45 2HG ARG 45 4.657 3.157 2.142 215 1HD ARG 45 1HD ARG 45 3.566 5.025 3.148 216 2HD ARG 45 2HD ARG 45 4.925 4.539 4.170 217 HE ARG 45 HE ARG 45 5.755 6.640 2.367 218 1HH1 ARG 45 1HH1 ARG 45 3.781 6.300 5.241 219 2HH1 ARG 45 2HH1 ARG 45 4.149 7.926 5.765 220 1HH2 ARG 45 2HH2 ARG 45 6.208 8.566 3.067 221 2HH2 ARG 45 1HH2 ARG 45 5.491 9.224 4.540 222 H ASP 46 H ASP 46 6.508 1.187 -0.683 223 HA ASP 46 HA ASP 46 5.262 -0.776 0.998 224 1HB ASP 46 1HB ASP 46 4.920 -1.923 -1.136 225 2HB ASP 46 2HB ASP 46 4.168 -0.334 -1.148 226 H GLU 47 H GLU 47 8.179 -0.032 -0.731 227 HA GLU 47 HA GLU 47 9.266 -2.699 -0.547 228 1HB GLU 47 1HB GLU 47 10.437 0.026 -1.172 229 2HB GLU 47 2HB GLU 47 11.425 -1.416 -1.174 230 1HG GLU 47 1HG GLU 47 8.860 -1.359 -2.775 231 2HG GLU 47 2HG GLU 47 10.310 -0.581 -3.371 232 H TRP 48 H TRP 48 9.338 0.145 1.332 233 HA TRP 48 HA TRP 48 11.805 -0.058 2.583 234 1HB TRP 48 1HB TRP 48 9.362 1.317 3.705 235 2HB TRP 48 2HB TRP 48 11.014 1.522 4.264 236 HD1 TRP 48 HD1 TRP 48 11.277 1.583 0.596 237 HE1 TRP 48 HE1 TRP 48 10.909 3.894 -0.373 238 HE3 TRP 48 HE3 TRP 48 9.692 3.853 4.806 239 HZ2 TRP 48 HZ2 TRP 48 10.163 6.591 0.666 240 HZ3 TRP 48 HZ3 TRP 48 9.183 6.337 4.854 241 HH2 TRP 48 HH2 TRP 48 9.433 7.677 2.778 242 H GLY 49 H GLY 49 12.500 -1.492 3.604 243 1HA GLY 49 1HA GLY 49 13.102 -2.832 5.472 244 2HA GLY 49 2HA GLY 49 11.633 -2.277 6.282 245 H CYS 50 H CYS 50 10.721 -3.525 3.242 246 HA CYS 50 HA CYS 50 9.211 -5.100 2.824 247 1HB CYS 50 1HB CYS 50 11.452 -5.612 2.064 248 2HB CYS 50 2HB CYS 50 11.822 -6.404 3.567 249 H GLY 51 H GLY 51 8.899 -4.420 5.577 250 1HA GLY 51 1HA GLY 51 6.866 -6.165 6.471 251 2HA GLY 51 2HA GLY 51 8.349 -6.727 7.241 Start of MODEL 12 1 H SER 10 H SER 10 -5.783 -1.159 5.594 2 HA SER 10 HA SER 10 -7.295 -3.533 6.490 3 1HB SER 10 1HB SER 10 -7.568 -0.794 7.806 4 2HB SER 10 2HB SER 10 -8.641 -2.182 8.052 5 HG SER 10 HG SER 10 -5.879 -1.970 8.726 6 H CYS 11 H CYS 11 -7.918 -3.780 4.529 7 HA CYS 11 HA CYS 11 -9.893 -1.977 3.275 8 1HB CYS 11 1HB CYS 11 -7.279 -1.868 2.648 9 2HB CYS 11 2HB CYS 11 -7.672 -3.249 1.661 10 HA PRO 12 HA PRO 12 -11.058 -6.457 2.283 11 1HB PRO 12 1HB PRO 12 -9.530 -6.865 -0.255 12 2HB PRO 12 2HB PRO 12 -11.256 -7.196 0.066 13 1HG PRO 12 1HG PRO 12 -10.479 -5.087 -1.487 14 2HG PRO 12 2HG PRO 12 -11.870 -4.961 -0.362 15 1HD PRO 12 1HD PRO 12 -9.016 -4.060 0.079 16 2HD PRO 12 2HD PRO 12 -10.539 -3.165 0.377 17 HA PRO 13 HA PRO 13 -7.247 -8.408 3.683 18 1HB PRO 13 1HB PRO 13 -7.522 -11.068 3.129 19 2HB PRO 13 2HB PRO 13 -8.485 -10.240 4.394 20 1HG PRO 13 1HG PRO 13 -9.284 -10.839 1.534 21 2HG PRO 13 2HG PRO 13 -10.222 -11.161 3.032 22 1HD PRO 13 1HD PRO 13 -10.650 -8.954 1.491 23 2HD PRO 13 2HD PRO 13 -10.777 -8.871 3.276 24 H GLY 14 H GLY 14 -5.334 -9.075 3.051 25 1HA GLY 14 1HA GLY 14 -3.474 -9.112 1.717 26 2HA GLY 14 2HA GLY 14 -4.467 -9.711 0.392 27 H GLN 15 H GLN 15 -5.330 -6.550 1.771 28 HA GLN 15 HA GLN 15 -3.906 -5.076 -0.312 29 1HB GLN 15 1HB GLN 15 -6.861 -5.285 0.025 30 2HB GLN 15 2HB GLN 15 -6.186 -3.694 -0.353 31 1HG GLN 15 1HG GLN 15 -5.291 -4.358 -2.401 32 2HG GLN 15 2HG GLN 15 -5.239 -6.067 -1.962 33 1HE2 GLN 15 2HE2 GLN 15 -7.330 -7.211 -1.673 34 2HE2 GLN 15 1HE2 GLN 15 -8.546 -6.786 -2.872 35 H PHE 16 H PHE 16 -2.971 -3.420 0.511 36 HA PHE 16 HA PHE 16 -3.837 -2.197 3.140 37 1HB PHE 16 1HB PHE 16 -1.640 -1.995 3.913 38 2HB PHE 16 2HB PHE 16 -1.683 -3.611 3.245 39 HD1 PHE 16 HD1 PHE 16 -0.848 -3.858 0.795 40 HD2 PHE 16 HD2 PHE 16 0.006 -0.418 3.206 41 HE1 PHE 16 HE1 PHE 16 0.982 -3.247 -0.750 42 HE2 PHE 16 HE2 PHE 16 1.773 0.263 1.621 43 HZ PHE 16 HZ PHE 16 2.260 -1.203 -0.411 44 H ARG 17 H ARG 17 -3.117 0.102 3.462 45 HA ARG 17 HA ARG 17 -2.968 1.599 0.882 46 1HB ARG 17 1HB ARG 17 -3.872 3.496 1.996 47 2HB ARG 17 2HB ARG 17 -4.931 2.079 2.142 48 1HG ARG 17 1HG ARG 17 -4.148 1.750 4.494 49 2HG ARG 17 2HG ARG 17 -3.132 3.189 4.344 50 1HD ARG 17 1HD ARG 17 -5.209 3.741 5.517 51 2HD ARG 17 2HD ARG 17 -5.102 4.599 3.984 52 HE ARG 17 HE ARG 17 -6.992 3.519 3.221 53 1HH1 ARG 17 2HH1 ARG 17 -6.018 1.702 6.079 54 2HH1 ARG 17 1HH1 ARG 17 -7.449 0.686 5.930 55 1HH2 ARG 17 2HH2 ARG 17 -8.662 2.158 3.137 56 2HH2 ARG 17 1HH2 ARG 17 -8.805 0.866 4.325 57 H CYS 18 H CYS 18 -1.592 3.113 0.483 58 HA CYS 18 HA CYS 18 1.066 2.722 1.618 59 1HB CYS 18 1HB CYS 18 -0.137 3.925 -0.854 60 2HB CYS 18 2HB CYS 18 1.488 4.415 -0.393 61 H SER 19 H SER 19 0.060 5.703 0.390 62 HA SER 19 HA SER 19 1.406 7.104 2.658 63 1HB SER 19 1HB SER 19 2.343 6.923 0.149 64 2HB SER 19 2HB SER 19 1.360 8.382 -0.056 65 HG SER 19 HG SER 19 3.463 8.916 0.618 66 H GLU 20 H GLU 20 -1.218 6.639 2.641 67 HA GLU 20 HA GLU 20 -2.170 9.344 3.434 68 1HB GLU 20 1HB GLU 20 -3.098 8.769 1.164 69 2HB GLU 20 2HB GLU 20 -3.933 7.419 1.906 70 1HG GLU 20 1HG GLU 20 -5.585 9.052 1.845 71 2HG GLU 20 2HG GLU 20 -5.002 9.204 3.497 72 HA PRO 21 HA PRO 21 -2.749 6.607 6.999 73 1HB PRO 21 1HB PRO 21 -3.490 8.470 8.884 74 2HB PRO 21 2HB PRO 21 -1.827 8.349 8.235 75 1HG PRO 21 1HG PRO 21 -4.059 10.202 7.331 76 2HG PRO 21 2HG PRO 21 -2.373 10.636 7.772 77 1HD PRO 21 1HD PRO 21 -3.114 10.250 5.192 78 2HD PRO 21 2HD PRO 21 -1.514 9.701 5.776 79 HA PRO 22 HA PRO 22 -7.123 5.762 7.361 80 1HB PRO 22 1HB PRO 22 -7.534 5.105 10.002 81 2HB PRO 22 2HB PRO 22 -6.680 4.053 8.832 82 1HG PRO 22 1HG PRO 22 -5.464 6.019 10.800 83 2HG PRO 22 2HG PRO 22 -5.046 4.296 10.537 84 1HD PRO 22 1HD PRO 22 -3.612 6.275 9.371 85 2HD PRO 22 2HD PRO 22 -3.985 4.784 8.461 86 H GLY 23 H GLY 23 -9.107 6.358 8.613 87 1HA GLY 23 1HA GLY 23 -10.656 8.067 9.068 88 2HA GLY 23 2HA GLY 23 -9.333 9.164 9.452 89 H ALA 24 H ALA 24 -8.190 8.243 6.693 90 HA ALA 24 HA ALA 24 -10.070 9.512 4.776 91 1HB ALA 24 1HB ALA 24 -8.328 11.162 5.280 92 2HB ALA 24 2HB ALA 24 -7.058 9.972 4.929 93 3HB ALA 24 3HB ALA 24 -8.129 10.543 3.630 94 H HIS 25 H HIS 25 -10.731 7.306 4.560 95 HA HIS 25 HA HIS 25 -9.283 5.059 4.448 96 1HB HIS 25 1HB HIS 25 -11.877 5.630 2.956 97 2HB HIS 25 2HB HIS 25 -11.296 4.053 3.445 98 HD1 HIS 25 HD1 HIS 25 -10.857 3.975 6.360 99 HD2 HIS 25 HD2 HIS 25 -13.637 6.629 4.584 100 HE1 HIS 25 HE1 HIS 25 -12.468 4.717 8.232 101 HE2 HIS 25 HE2 HIS 25 -14.156 6.328 7.145 102 H GLY 26 H GLY 26 -9.966 6.930 1.644 103 1HA GLY 26 1HA GLY 26 -8.991 7.053 -0.482 104 2HA GLY 26 2HA GLY 26 -7.567 6.383 0.316 105 H GLU 27 H GLU 27 -6.952 5.297 -1.486 106 HA GLU 27 HA GLU 27 -8.335 2.727 -2.089 107 1HB GLU 27 1HB GLU 27 -8.879 4.355 -3.915 108 2HB GLU 27 2HB GLU 27 -7.150 4.595 -4.205 109 1HG GLU 27 1HG GLU 27 -6.909 2.203 -4.801 110 2HG GLU 27 2HG GLU 27 -8.610 1.923 -4.421 111 H CYS 28 H CYS 28 -7.313 1.307 -1.461 112 HA CYS 28 HA CYS 28 -4.632 1.118 -0.675 113 1HB CYS 28 1HB CYS 28 -6.721 -1.002 -1.255 114 2HB CYS 28 2HB CYS 28 -5.458 -1.066 -0.080 115 H TYR 29 H TYR 29 -3.582 -1.128 -1.287 116 HA TYR 29 HA TYR 29 -3.535 -1.778 -4.146 117 1HB TYR 29 1HB TYR 29 -1.038 -0.947 -2.585 118 2HB TYR 29 2HB TYR 29 -1.023 -1.582 -4.210 119 HD1 TYR 29 HD1 TYR 29 -1.891 -0.125 -6.143 120 HD2 TYR 29 HD2 TYR 29 -1.394 1.356 -2.112 121 HE1 TYR 29 HE1 TYR 29 -2.038 2.195 -6.977 122 HE2 TYR 29 HE2 TYR 29 -1.561 3.697 -2.969 123 HH TYR 29 HH TYR 29 -2.051 4.416 -6.441 124 HA PRO 30 HA PRO 30 -3.062 -5.831 -2.440 125 1HB PRO 30 1HB PRO 30 -0.902 -6.475 -4.381 126 2HB PRO 30 2HB PRO 30 -2.448 -7.320 -4.092 127 1HG PRO 30 1HG PRO 30 -2.081 -5.769 -6.321 128 2HG PRO 30 2HG PRO 30 -3.644 -5.755 -5.439 129 1HD PRO 30 1HD PRO 30 -1.362 -3.776 -5.234 130 2HD PRO 30 2HD PRO 30 -3.114 -3.460 -5.409 131 H GLN 31 H GLN 31 -1.813 -6.943 -0.990 132 HA GLN 31 HA GLN 31 0.778 -5.820 -0.105 133 1HB GLN 31 1HB GLN 31 -0.807 -8.289 0.795 134 2HB GLN 31 2HB GLN 31 0.661 -7.708 1.588 135 1HG GLN 31 1HG GLN 31 -0.417 -5.663 2.286 136 2HG GLN 31 2HG GLN 31 -1.875 -6.037 1.364 137 1HE2 GLN 31 1HE2 GLN 31 -3.138 -5.810 3.404 138 2HE2 GLN 31 2HE2 GLN 31 -3.077 -7.153 4.535 139 H ASP 32 H ASP 32 -0.080 -7.820 -2.576 140 HA ASP 32 HA ASP 32 2.385 -9.286 -2.868 141 1HB ASP 32 1HB ASP 32 0.125 -9.420 -4.193 142 2HB ASP 32 2HB ASP 32 0.677 -8.014 -5.054 143 H TRP 33 H TRP 33 1.277 -6.118 -3.398 144 HA TRP 33 HA TRP 33 3.878 -5.012 -4.187 145 1HB TRP 33 1HB TRP 33 1.286 -3.511 -3.980 146 2HB TRP 33 2HB TRP 33 2.794 -2.975 -4.670 147 HD1 TRP 33 HD1 TRP 33 2.132 -6.311 -6.121 148 HE1 TRP 33 HE1 TRP 33 0.884 -6.174 -8.349 149 HE3 TRP 33 HE3 TRP 33 0.942 -1.322 -6.079 150 HZ2 TRP 33 HZ2 TRP 33 -0.635 -4.222 -9.819 151 HZ3 TRP 33 HZ3 TRP 33 -0.410 -0.355 -7.931 152 HH2 TRP 33 HH2 TRP 33 -1.251 -1.797 -9.765 153 H LEU 34 H LEU 34 3.701 -6.115 -1.869 154 HA LEU 34 HA LEU 34 4.810 -3.904 -0.226 155 1HB LEU 34 1HB LEU 34 2.547 -4.690 0.715 156 2HB LEU 34 2HB LEU 34 3.285 -6.255 0.978 157 HG LEU 34 HG LEU 34 5.059 -5.044 2.399 158 1HD1 LEU 34 1HD1 LEU 34 2.943 -2.859 2.442 159 2HD1 LEU 34 2HD1 LEU 34 4.471 -2.900 3.353 160 3HD1 LEU 34 3HD1 LEU 34 4.491 -2.732 1.593 161 1HD2 LEU 34 1HD2 LEU 34 3.237 -6.409 3.372 162 2HD2 LEU 34 2HD2 LEU 34 3.570 -4.991 4.380 163 3HD2 LEU 34 3HD2 LEU 34 2.146 -5.008 3.314 164 H CYS 35 H CYS 35 6.914 -4.258 -0.488 165 HA CYS 35 HA CYS 35 8.846 -5.081 -1.102 166 1HB CYS 35 1HB CYS 35 8.946 -5.676 1.009 167 2HB CYS 35 2HB CYS 35 8.043 -7.165 0.852 168 H ASP 36 H ASP 36 7.732 -5.117 -3.158 169 HA ASP 36 HA ASP 36 7.309 -7.792 -4.452 170 1HB ASP 36 1HB ASP 36 5.757 -5.890 -4.964 171 2HB ASP 36 2HB ASP 36 7.113 -4.998 -5.636 172 H GLY 37 H GLY 37 9.747 -5.477 -3.812 173 1HA GLY 37 1HA GLY 37 12.072 -5.612 -4.400 174 2HA GLY 37 2HA GLY 37 11.651 -6.640 -5.784 175 H HIS 38 H HIS 38 9.546 -4.221 -5.521 176 HA HIS 38 HA HIS 38 10.750 -2.222 -7.313 177 1HB HIS 38 1HB HIS 38 9.891 -3.815 -8.855 178 2HB HIS 38 2HB HIS 38 8.454 -4.105 -7.911 179 HD1 HIS 38 HD1 HIS 38 9.795 -1.239 -10.192 180 HD2 HIS 38 HD2 HIS 38 6.403 -2.569 -8.071 181 HE1 HIS 38 HE1 HIS 38 7.880 0.413 -10.731 182 HE2 HIS 38 HE2 HIS 38 5.792 -0.445 -9.473 183 HA PRO 39 HA PRO 39 8.118 -0.055 -4.290 184 1HB PRO 39 1HB PRO 39 8.603 2.530 -5.234 185 2HB PRO 39 2HB PRO 39 9.405 1.664 -3.921 186 1HG PRO 39 1HG PRO 39 10.539 2.346 -6.536 187 2HG PRO 39 2HG PRO 39 11.340 1.526 -5.165 188 1HD PRO 39 1HD PRO 39 10.186 0.366 -7.621 189 2HD PRO 39 2HD PRO 39 11.295 -0.383 -6.448 190 H ASP 40 H ASP 40 6.130 1.000 -4.338 191 HA ASP 40 HA ASP 40 5.146 2.177 -6.876 192 1HB ASP 40 1HB ASP 40 4.577 -0.514 -6.458 193 2HB ASP 40 2HB ASP 40 3.145 0.265 -5.812 194 H CYS 41 H CYS 41 5.570 2.521 -3.698 195 HA CYS 41 HA CYS 41 2.903 2.998 -2.875 196 1HB CYS 41 1HB CYS 41 5.314 2.673 -1.569 197 2HB CYS 41 2HB CYS 41 4.624 4.153 -0.949 198 H ASP 42 H ASP 42 3.862 4.785 -4.868 199 HA ASP 42 HA ASP 42 4.518 6.830 -5.518 200 1HB ASP 42 1HB ASP 42 2.021 7.144 -5.204 201 2HB ASP 42 2HB ASP 42 2.367 7.917 -3.659 202 H ASP 43 H ASP 43 5.190 6.028 -2.520 203 HA ASP 43 HA ASP 43 7.485 7.844 -2.576 204 1HB ASP 43 1HB ASP 43 5.727 8.054 -0.580 205 2HB ASP 43 2HB ASP 43 6.673 6.712 0.032 206 H GLY 44 H GLY 44 6.506 4.876 -3.065 207 1HA GLY 44 1HA GLY 44 7.644 2.755 -3.192 208 2HA GLY 44 2HA GLY 44 9.148 3.595 -2.879 209 H ARG 45 H ARG 45 6.571 3.774 -0.676 210 HA ARG 45 HA ARG 45 8.299 2.635 1.478 211 1HB ARG 45 1HB ARG 45 6.854 3.618 3.128 212 2HB ARG 45 2HB ARG 45 7.433 4.840 2.009 213 1HG ARG 45 1HG ARG 45 5.300 4.984 0.904 214 2HG ARG 45 2HG ARG 45 4.662 3.591 1.798 215 1HD ARG 45 1HD ARG 45 5.595 6.152 3.138 216 2HD ARG 45 2HD ARG 45 3.933 5.908 2.573 217 HE ARG 45 HE ARG 45 4.359 3.676 4.109 218 1HH1 ARG 45 2HH1 ARG 45 4.519 7.089 4.843 219 2HH1 ARG 45 1HH1 ARG 45 4.154 6.832 6.532 220 1HH2 ARG 45 2HH2 ARG 45 3.967 3.407 6.266 221 2HH2 ARG 45 1HH2 ARG 45 3.842 4.800 7.303 222 H ASP 46 H ASP 46 6.518 1.256 -0.731 223 HA ASP 46 HA ASP 46 5.210 -0.653 0.966 224 1HB ASP 46 1HB ASP 46 4.886 -1.841 -1.158 225 2HB ASP 46 2HB ASP 46 4.125 -0.260 -1.181 226 H GLU 47 H GLU 47 8.153 0.003 -0.765 227 HA GLU 47 HA GLU 47 9.176 -2.689 -0.536 228 1HB GLU 47 1HB GLU 47 10.408 -0.005 -1.212 229 2HB GLU 47 2HB GLU 47 11.363 -1.471 -1.189 230 1HG GLU 47 1HG GLU 47 8.790 -1.364 -2.782 231 2HG GLU 47 2HG GLU 47 10.267 -0.657 -3.398 232 H TRP 48 H TRP 48 9.310 0.168 1.303 233 HA TRP 48 HA TRP 48 11.767 -0.079 2.569 234 1HB TRP 48 1HB TRP 48 9.354 1.387 3.640 235 2HB TRP 48 2HB TRP 48 11.006 1.556 4.213 236 HD1 TRP 48 HD1 TRP 48 11.318 1.514 0.550 237 HE1 TRP 48 HE1 TRP 48 11.054 3.816 -0.484 238 HE3 TRP 48 HE3 TRP 48 9.731 3.950 4.670 239 HZ2 TRP 48 HZ2 TRP 48 10.441 6.559 0.479 240 HZ3 TRP 48 HZ3 TRP 48 9.322 6.452 4.642 241 HH2 TRP 48 HH2 TRP 48 9.690 7.731 2.544 242 H GLY 49 H GLY 49 12.426 -1.496 3.618 243 1HA GLY 49 1HA GLY 49 13.001 -2.760 5.550 244 2HA GLY 49 2HA GLY 49 11.502 -2.211 6.305 245 H CYS 50 H CYS 50 10.647 -3.512 3.287 246 HA CYS 50 HA CYS 50 9.161 -5.109 2.880 247 1HB CYS 50 1HB CYS 50 11.412 -5.590 2.118 248 2HB CYS 50 2HB CYS 50 11.797 -6.372 3.623 249 H GLY 51 H GLY 51 8.857 -4.435 5.638 250 1HA GLY 51 1HA GLY 51 6.809 -6.122 6.538 251 2HA GLY 51 2HA GLY 51 8.277 -6.796 7.250 Start of MODEL 13 1 H SER 10 H SER 10 -5.907 -1.242 5.648 2 HA SER 10 HA SER 10 -7.521 -3.376 6.705 3 1HB SER 10 1HB SER 10 -7.308 -1.937 8.751 4 2HB SER 10 2HB SER 10 -8.060 -0.602 7.858 5 HG SER 10 HG SER 10 -9.568 -1.858 9.109 6 H CYS 11 H CYS 11 -8.136 -3.771 4.757 7 HA CYS 11 HA CYS 11 -9.960 -2.043 3.265 8 1HB CYS 11 1HB CYS 11 -7.269 -1.905 2.845 9 2HB CYS 11 2HB CYS 11 -7.617 -3.269 1.821 10 HA PRO 12 HA PRO 12 -11.057 -6.469 2.235 11 1HB PRO 12 1HB PRO 12 -9.602 -6.797 -0.354 12 2HB PRO 12 2HB PRO 12 -11.333 -7.077 -0.013 13 1HG PRO 12 1HG PRO 12 -10.489 -4.922 -1.476 14 2HG PRO 12 2HG PRO 12 -11.872 -4.813 -0.338 15 1HD PRO 12 1HD PRO 12 -8.993 -4.008 0.129 16 2HD PRO 12 2HD PRO 12 -10.496 -3.100 0.488 17 HA PRO 13 HA PRO 13 -7.349 -8.564 3.541 18 1HB PRO 13 1HB PRO 13 -7.600 -11.190 2.813 19 2HB PRO 13 2HB PRO 13 -8.637 -10.437 4.067 20 1HG PRO 13 1HG PRO 13 -9.257 -10.839 1.128 21 2HG PRO 13 2HG PRO 13 -10.285 -11.265 2.538 22 1HD PRO 13 1HD PRO 13 -10.629 -8.957 1.140 23 2HD PRO 13 2HD PRO 13 -10.850 -8.992 2.917 24 H GLY 14 H GLY 14 -5.414 -9.174 2.998 25 1HA GLY 14 1HA GLY 14 -3.469 -9.086 1.808 26 2HA GLY 14 2HA GLY 14 -4.332 -9.734 0.418 27 H GLN 15 H GLN 15 -5.295 -6.585 1.835 28 HA GLN 15 HA GLN 15 -3.902 -5.089 -0.256 29 1HB GLN 15 1HB GLN 15 -6.854 -5.320 0.067 30 2HB GLN 15 2HB GLN 15 -6.194 -3.718 -0.288 31 1HG GLN 15 1HG GLN 15 -5.264 -4.358 -2.335 32 2HG GLN 15 2HG GLN 15 -5.232 -6.074 -1.917 33 1HE2 GLN 15 2HE2 GLN 15 -7.351 -7.181 -1.622 34 2HE2 GLN 15 1HE2 GLN 15 -8.551 -6.745 -2.836 35 H PHE 16 H PHE 16 -2.938 -3.463 0.572 36 HA PHE 16 HA PHE 16 -3.794 -2.225 3.198 37 1HB PHE 16 1HB PHE 16 -1.594 -2.072 3.966 38 2HB PHE 16 2HB PHE 16 -1.662 -3.677 3.274 39 HD1 PHE 16 HD1 PHE 16 0.062 -0.503 3.278 40 HD2 PHE 16 HD2 PHE 16 -0.815 -3.908 0.826 41 HE1 PHE 16 HE1 PHE 16 1.838 0.183 1.706 42 HE2 PHE 16 HE2 PHE 16 1.030 -3.302 -0.702 43 HZ PHE 16 HZ PHE 16 2.322 -1.272 -0.338 44 H ARG 17 H ARG 17 -3.058 0.079 3.510 45 HA ARG 17 HA ARG 17 -2.887 1.561 0.924 46 1HB ARG 17 1HB ARG 17 -3.781 3.480 2.020 47 2HB ARG 17 2HB ARG 17 -4.860 2.072 2.157 48 1HG ARG 17 1HG ARG 17 -4.135 1.750 4.517 49 2HG ARG 17 2HG ARG 17 -3.076 3.158 4.381 50 1HD ARG 17 1HD ARG 17 -5.165 3.772 5.510 51 2HD ARG 17 2HD ARG 17 -4.997 4.623 3.980 52 HE ARG 17 HE ARG 17 -6.905 3.597 3.176 53 1HH1 ARG 17 1HH1 ARG 17 -6.037 1.740 6.046 54 2HH1 ARG 17 2HH1 ARG 17 -7.474 0.742 5.835 55 1HH2 ARG 17 1HH2 ARG 17 -8.592 2.285 3.045 56 2HH2 ARG 17 2HH2 ARG 17 -8.790 0.974 4.211 57 H CYS 18 H CYS 18 -1.535 3.128 0.576 58 HA CYS 18 HA CYS 18 1.122 2.730 1.747 59 1HB CYS 18 1HB CYS 18 -0.039 3.961 -0.743 60 2HB CYS 18 2HB CYS 18 1.602 4.368 -0.255 61 H SER 19 H SER 19 0.169 5.692 0.455 62 HA SER 19 HA SER 19 1.520 7.112 2.702 63 1HB SER 19 1HB SER 19 1.446 7.861 -0.247 64 2HB SER 19 2HB SER 19 2.403 8.664 1.015 65 HG SER 19 HG SER 19 2.994 6.465 -0.410 66 H GLU 20 H GLU 20 -1.123 6.691 2.698 67 HA GLU 20 HA GLU 20 -2.104 9.411 3.364 68 1HB GLU 20 1HB GLU 20 -2.948 8.899 1.138 69 2HB GLU 20 2HB GLU 20 -3.719 7.430 1.734 70 1HG GLU 20 1HG GLU 20 -5.235 8.728 3.144 71 2HG GLU 20 2HG GLU 20 -4.334 10.211 2.821 72 HA PRO 21 HA PRO 21 -2.725 6.817 6.981 73 1HB PRO 21 1HB PRO 21 -3.438 8.718 8.824 74 2HB PRO 21 2HB PRO 21 -1.794 8.618 8.126 75 1HG PRO 21 1HG PRO 21 -4.098 10.382 7.212 76 2HG PRO 21 2HG PRO 21 -2.419 10.881 7.610 77 1HD PRO 21 1HD PRO 21 -3.174 10.381 5.045 78 2HD PRO 21 2HD PRO 21 -1.560 9.894 5.642 79 HA PRO 22 HA PRO 22 -7.036 5.808 7.652 80 1HB PRO 22 1HB PRO 22 -6.517 6.235 10.602 81 2HB PRO 22 2HB PRO 22 -7.386 4.888 9.795 82 1HG PRO 22 1HG PRO 22 -4.862 4.551 10.600 83 2HG PRO 22 2HG PRO 22 -5.342 3.973 8.968 84 1HD PRO 22 1HD PRO 22 -3.879 6.529 9.701 85 2HD PRO 22 2HD PRO 22 -3.524 5.360 8.391 86 H GLY 23 H GLY 23 -9.019 6.504 8.757 87 1HA GLY 23 1HA GLY 23 -10.718 8.109 8.967 88 2HA GLY 23 2HA GLY 23 -9.496 9.333 9.309 89 H ALA 24 H ALA 24 -8.260 8.304 6.614 90 HA ALA 24 HA ALA 24 -10.158 9.413 4.617 91 1HB ALA 24 1HB ALA 24 -8.223 10.415 3.434 92 2HB ALA 24 2HB ALA 24 -8.446 11.120 5.048 93 3HB ALA 24 3HB ALA 24 -7.154 9.932 4.770 94 H HIS 25 H HIS 25 -10.775 7.184 4.515 95 HA HIS 25 HA HIS 25 -9.274 4.946 4.400 96 1HB HIS 25 1HB HIS 25 -11.905 5.481 2.956 97 2HB HIS 25 2HB HIS 25 -11.283 3.910 3.410 98 HD1 HIS 25 HD1 HIS 25 -10.802 3.787 6.313 99 HD2 HIS 25 HD2 HIS 25 -13.657 6.421 4.627 100 HE1 HIS 25 HE1 HIS 25 -12.404 4.458 8.220 101 HE2 HIS 25 HE2 HIS 25 -14.136 6.058 7.189 102 H GLY 26 H GLY 26 -10.037 6.854 1.652 103 1HA GLY 26 1HA GLY 26 -9.098 7.054 -0.486 104 2HA GLY 26 2HA GLY 26 -7.647 6.419 0.291 105 H GLU 27 H GLU 27 -6.911 5.255 -1.369 106 HA GLU 27 HA GLU 27 -8.281 2.717 -2.058 107 1HB GLU 27 1HB GLU 27 -8.758 4.399 -3.904 108 2HB GLU 27 2HB GLU 27 -7.020 4.590 -4.129 109 1HG GLU 27 1HG GLU 27 -7.831 3.113 -5.826 110 2HG GLU 27 2HG GLU 27 -6.863 2.152 -4.720 111 H CYS 28 H CYS 28 -7.267 1.262 -1.491 112 HA CYS 28 HA CYS 28 -4.581 1.128 -0.612 113 1HB CYS 28 1HB CYS 28 -6.701 -0.967 -1.204 114 2HB CYS 28 2HB CYS 28 -5.394 -1.108 -0.092 115 H TYR 29 H TYR 29 -3.557 -1.152 -1.230 116 HA TYR 29 HA TYR 29 -3.481 -1.758 -4.097 117 1HB TYR 29 1HB TYR 29 -0.992 -0.997 -2.494 118 2HB TYR 29 2HB TYR 29 -0.971 -1.587 -4.135 119 HD1 TYR 29 HD1 TYR 29 -1.297 1.284 -1.947 120 HD2 TYR 29 HD2 TYR 29 -1.818 -0.042 -6.027 121 HE1 TYR 29 HE1 TYR 29 -1.393 3.657 -2.725 122 HE2 TYR 29 HE2 TYR 29 -1.897 2.308 -6.782 123 HH TYR 29 HH TYR 29 -1.814 4.510 -6.173 124 HA PRO 30 HA PRO 30 -3.068 -5.834 -2.407 125 1HB PRO 30 1HB PRO 30 -0.935 -6.487 -4.375 126 2HB PRO 30 2HB PRO 30 -2.486 -7.318 -4.075 127 1HG PRO 30 1HG PRO 30 -2.118 -5.757 -6.297 128 2HG PRO 30 2HG PRO 30 -3.677 -5.744 -5.409 129 1HD PRO 30 1HD PRO 30 -1.390 -3.770 -5.210 130 2HD PRO 30 2HD PRO 30 -3.140 -3.449 -5.367 131 H GLN 31 H GLN 31 -1.816 -6.959 -0.980 132 HA GLN 31 HA GLN 31 0.798 -5.875 -0.116 133 1HB GLN 31 1HB GLN 31 -0.825 -8.323 0.767 134 2HB GLN 31 2HB GLN 31 0.693 -7.825 1.524 135 1HG GLN 31 1HG GLN 31 -0.255 -5.764 2.318 136 2HG GLN 31 2HG GLN 31 -1.738 -6.000 1.391 137 1HE2 GLN 31 1HE2 GLN 31 0.010 -8.369 3.559 138 2HE2 GLN 31 2HE2 GLN 31 -1.398 -8.555 4.597 139 H ASP 32 H ASP 32 -0.094 -7.823 -2.611 140 HA ASP 32 HA ASP 32 2.363 -9.293 -2.962 141 1HB ASP 32 1HB ASP 32 0.067 -9.380 -4.259 142 2HB ASP 32 2HB ASP 32 0.655 -7.992 -5.128 143 H TRP 33 H TRP 33 1.262 -6.112 -3.421 144 HA TRP 33 HA TRP 33 3.864 -5.012 -4.222 145 1HB TRP 33 1HB TRP 33 1.276 -3.504 -3.975 146 2HB TRP 33 2HB TRP 33 2.779 -2.966 -4.675 147 HD1 TRP 33 HD1 TRP 33 2.122 -6.281 -6.158 148 HE1 TRP 33 HE1 TRP 33 0.856 -6.131 -8.377 149 HE3 TRP 33 HE3 TRP 33 0.867 -1.317 -6.033 150 HZ2 TRP 33 HZ2 TRP 33 -0.661 -4.166 -9.833 151 HZ3 TRP 33 HZ3 TRP 33 -0.481 -0.327 -7.883 152 HH2 TRP 33 HH2 TRP 33 -1.302 -1.748 -9.738 153 H LEU 34 H LEU 34 3.701 -6.140 -1.920 154 HA LEU 34 HA LEU 34 4.824 -3.952 -0.252 155 1HB LEU 34 1HB LEU 34 2.575 -4.748 0.692 156 2HB LEU 34 2HB LEU 34 3.303 -6.324 0.913 157 HG LEU 34 HG LEU 34 5.085 -5.172 2.365 158 1HD1 LEU 34 1HD1 LEU 34 4.575 -2.833 1.613 159 2HD1 LEU 34 2HD1 LEU 34 3.000 -2.955 2.412 160 3HD1 LEU 34 3HD1 LEU 34 4.495 -3.034 3.370 161 1HD2 LEU 34 1HD2 LEU 34 3.228 -6.516 3.303 162 2HD2 LEU 34 2HD2 LEU 34 3.589 -5.126 4.338 163 3HD2 LEU 34 3HD2 LEU 34 2.168 -5.087 3.270 164 H CYS 35 H CYS 35 6.920 -4.291 -0.527 165 HA CYS 35 HA CYS 35 8.863 -5.079 -1.138 166 1HB CYS 35 1HB CYS 35 8.931 -5.740 0.968 167 2HB CYS 35 2HB CYS 35 8.067 -7.235 0.746 168 H ASP 36 H ASP 36 7.747 -5.069 -3.212 169 HA ASP 36 HA ASP 36 7.341 -7.716 -4.561 170 1HB ASP 36 1HB ASP 36 5.790 -5.801 -5.028 171 2HB ASP 36 2HB ASP 36 7.149 -4.897 -5.683 172 H GLY 37 H GLY 37 9.789 -5.443 -3.848 173 1HA GLY 37 1HA GLY 37 12.107 -5.566 -4.414 174 2HA GLY 37 2HA GLY 37 11.707 -6.580 -5.815 175 H HIS 38 H HIS 38 9.600 -4.163 -5.554 176 HA HIS 38 HA HIS 38 10.817 -2.131 -7.296 177 1HB HIS 38 1HB HIS 38 9.992 -3.691 -8.882 178 2HB HIS 38 2HB HIS 38 8.567 -4.051 -7.946 179 HD1 HIS 38 HD1 HIS 38 9.795 -1.123 -10.201 180 HD2 HIS 38 HD2 HIS 38 6.464 -2.584 -8.064 181 HE1 HIS 38 HE1 HIS 38 7.817 0.457 -10.727 182 HE2 HIS 38 HE2 HIS 38 5.768 -0.479 -9.453 183 HA PRO 39 HA PRO 39 8.143 -0.023 -4.269 184 1HB PRO 39 1HB PRO 39 8.524 2.574 -5.212 185 2HB PRO 39 2HB PRO 39 9.398 1.729 -3.931 186 1HG PRO 39 1HG PRO 39 10.406 2.452 -6.592 187 2HG PRO 39 2HG PRO 39 11.298 1.697 -5.240 188 1HD PRO 39 1HD PRO 39 10.144 0.445 -7.643 189 2HD PRO 39 2HD PRO 39 11.297 -0.245 -6.478 190 H ASP 40 H ASP 40 6.106 0.950 -4.301 191 HA ASP 40 HA ASP 40 5.089 2.117 -6.829 192 1HB ASP 40 1HB ASP 40 4.573 -0.590 -6.416 193 2HB ASP 40 2HB ASP 40 3.129 0.161 -5.767 194 H CYS 41 H CYS 41 5.532 2.467 -3.656 195 HA CYS 41 HA CYS 41 2.865 2.906 -2.822 196 1HB CYS 41 1HB CYS 41 5.302 2.645 -1.532 197 2HB CYS 41 2HB CYS 41 4.559 4.100 -0.905 198 H ASP 42 H ASP 42 3.782 4.680 -4.844 199 HA ASP 42 HA ASP 42 4.445 6.712 -5.530 200 1HB ASP 42 1HB ASP 42 1.957 7.051 -5.215 201 2HB ASP 42 2HB ASP 42 2.309 7.831 -3.674 202 H ASP 43 H ASP 43 5.079 5.976 -2.501 203 HA ASP 43 HA ASP 43 7.345 7.840 -2.408 204 1HB ASP 43 1HB ASP 43 5.481 8.009 -0.586 205 2HB ASP 43 2HB ASP 43 6.238 6.558 0.040 206 H GLY 44 H GLY 44 6.452 4.842 -3.037 207 1HA GLY 44 1HA GLY 44 7.606 2.740 -3.136 208 2HA GLY 44 2HA GLY 44 9.094 3.607 -2.811 209 H ARG 45 H ARG 45 6.508 3.711 -0.605 210 HA ARG 45 HA ARG 45 8.280 2.605 1.528 211 1HB ARG 45 1HB ARG 45 6.900 3.553 3.200 212 2HB ARG 45 2HB ARG 45 7.284 4.802 2.025 213 1HG ARG 45 1HG ARG 45 5.030 4.682 1.083 214 2HG ARG 45 2HG ARG 45 4.646 3.277 2.094 215 1HD ARG 45 1HD ARG 45 3.623 5.228 3.046 216 2HD ARG 45 2HD ARG 45 4.913 4.663 4.120 217 HE ARG 45 HE ARG 45 5.835 6.722 2.273 218 1HH1 ARG 45 1HH2 ARG 45 4.010 6.438 5.245 219 2HH1 ARG 45 2HH2 ARG 45 4.453 8.048 5.757 220 1HH2 ARG 45 2HH1 ARG 45 6.410 8.646 2.974 221 2HH2 ARG 45 1HH1 ARG 45 5.779 9.303 4.482 222 H ASP 46 H ASP 46 6.503 1.202 -0.683 223 HA ASP 46 HA ASP 46 5.255 -0.755 1.001 224 1HB ASP 46 1HB ASP 46 4.935 -1.922 -1.136 225 2HB ASP 46 2HB ASP 46 4.158 -0.346 -1.143 226 H GLU 47 H GLU 47 8.168 -0.021 -0.734 227 HA GLU 47 HA GLU 47 9.252 -2.690 -0.551 228 1HB GLU 47 1HB GLU 47 10.424 0.031 -1.188 229 2HB GLU 47 2HB GLU 47 11.412 -1.412 -1.189 230 1HG GLU 47 1HG GLU 47 8.837 -1.352 -2.776 231 2HG GLU 47 2HG GLU 47 10.289 -0.584 -3.383 232 H TRP 48 H TRP 48 9.337 0.151 1.328 233 HA TRP 48 HA TRP 48 11.805 -0.052 2.578 234 1HB TRP 48 1HB TRP 48 9.358 1.320 3.696 235 2HB TRP 48 2HB TRP 48 11.009 1.526 4.259 236 HD1 TRP 48 HD1 TRP 48 11.271 1.584 0.588 237 HE1 TRP 48 HE1 TRP 48 10.910 3.896 -0.380 238 HE3 TRP 48 HE3 TRP 48 9.695 3.859 4.799 239 HZ2 TRP 48 HZ2 TRP 48 10.196 6.597 0.663 240 HZ3 TRP 48 HZ3 TRP 48 9.199 6.346 4.848 241 HH2 TRP 48 HH2 TRP 48 9.467 7.688 2.775 242 H GLY 49 H GLY 49 12.503 -1.480 3.606 243 1HA GLY 49 1HA GLY 49 13.093 -2.830 5.474 244 2HA GLY 49 2HA GLY 49 11.619 -2.279 6.276 245 H CYS 50 H CYS 50 10.723 -3.517 3.229 246 HA CYS 50 HA CYS 50 9.220 -5.079 2.795 247 1HB CYS 50 1HB CYS 50 11.456 -5.607 2.047 248 2HB CYS 50 2HB CYS 50 11.818 -6.397 3.552 249 H GLY 51 H GLY 51 8.923 -4.421 5.579 250 1HA GLY 51 1HA GLY 51 6.885 -6.274 6.378 251 2HA GLY 51 2HA GLY 51 8.358 -6.624 7.285 Start of MODEL 14 1 H SER 10 H SER 10 -6.630 -0.502 5.544 2 HA SER 10 HA SER 10 -8.217 -2.583 6.834 3 1HB SER 10 1HB SER 10 -9.908 -0.982 7.732 4 2HB SER 10 2HB SER 10 -8.358 -0.946 8.587 5 HG SER 10 HG SER 10 -9.219 1.141 8.164 6 H CYS 11 H CYS 11 -8.410 -3.425 4.926 7 HA CYS 11 HA CYS 11 -10.191 -2.312 2.915 8 1HB CYS 11 1HB CYS 11 -7.439 -1.828 2.896 9 2HB CYS 11 2HB CYS 11 -7.541 -3.290 1.957 10 HA PRO 12 HA PRO 12 -10.872 -6.660 2.460 11 1HB PRO 12 1HB PRO 12 -9.699 -7.046 -0.287 12 2HB PRO 12 2HB PRO 12 -11.364 -7.389 0.264 13 1HG PRO 12 1HG PRO 12 -10.801 -5.225 -1.314 14 2HG PRO 12 2HG PRO 12 -12.008 -5.122 0.011 15 1HD PRO 12 1HD PRO 12 -9.100 -4.271 0.057 16 2HD PRO 12 2HD PRO 12 -10.533 -3.358 0.597 17 HA PRO 13 HA PRO 13 -7.163 -8.863 3.550 18 1HB PRO 13 1HB PRO 13 -8.302 -11.236 2.017 19 2HB PRO 13 2HB PRO 13 -7.523 -11.222 3.636 20 1HG PRO 13 1HG PRO 13 -10.209 -11.279 3.480 21 2HG PRO 13 2HG PRO 13 -9.410 -10.130 4.611 22 1HD PRO 13 1HD PRO 13 -10.542 -9.552 1.852 23 2HD PRO 13 2HD PRO 13 -10.747 -8.635 3.380 24 H GLY 14 H GLY 14 -5.265 -9.115 2.930 25 1HA GLY 14 1HA GLY 14 -3.370 -9.116 1.628 26 2HA GLY 14 2HA GLY 14 -4.297 -9.733 0.270 27 H GLN 15 H GLN 15 -5.331 -6.647 1.729 28 HA GLN 15 HA GLN 15 -3.921 -5.080 -0.309 29 1HB GLN 15 1HB GLN 15 -6.873 -5.279 0.014 30 2HB GLN 15 2HB GLN 15 -6.180 -3.694 -0.329 31 1HG GLN 15 1HG GLN 15 -5.307 -4.321 -2.394 32 2HG GLN 15 2HG GLN 15 -5.249 -6.037 -1.985 33 1HE2 GLN 15 2HE2 GLN 15 -7.310 -7.212 -1.743 34 2HE2 GLN 15 1HE2 GLN 15 -8.558 -6.750 -2.894 35 H PHE 16 H PHE 16 -2.986 -3.457 0.508 36 HA PHE 16 HA PHE 16 -3.826 -2.216 3.140 37 1HB PHE 16 1HB PHE 16 -1.634 -2.060 3.916 38 2HB PHE 16 2HB PHE 16 -1.684 -3.664 3.216 39 HD1 PHE 16 HD1 PHE 16 -0.852 -3.860 0.747 40 HD2 PHE 16 HD2 PHE 16 0.036 -0.494 3.249 41 HE1 PHE 16 HE1 PHE 16 0.965 -3.215 -0.794 42 HE2 PHE 16 HE2 PHE 16 1.790 0.227 1.665 43 HZ PHE 16 HZ PHE 16 2.265 -1.190 -0.402 44 H ARG 17 H ARG 17 -3.019 0.100 3.438 45 HA ARG 17 HA ARG 17 -2.953 1.565 0.834 46 1HB ARG 17 1HB ARG 17 -3.807 3.485 1.940 47 2HB ARG 17 2HB ARG 17 -4.869 2.083 2.202 48 1HG ARG 17 1HG ARG 17 -3.963 1.833 4.513 49 2HG ARG 17 2HG ARG 17 -2.908 3.228 4.242 50 1HD ARG 17 1HD ARG 17 -4.822 3.994 5.481 51 2HD ARG 17 2HD ARG 17 -4.907 4.655 3.855 52 HE ARG 17 HE ARG 17 -6.838 3.445 3.413 53 1HH1 ARG 17 2HH1 ARG 17 -5.617 2.251 6.490 54 2HH1 ARG 17 1HH1 ARG 17 -7.159 1.459 6.805 55 1HH2 ARG 17 1HH2 ARG 17 -8.583 2.273 3.832 56 2HH2 ARG 17 2HH2 ARG 17 -8.704 1.362 5.323 57 H CYS 18 H CYS 18 -1.624 3.156 0.424 58 HA CYS 18 HA CYS 18 1.081 2.858 1.550 59 1HB CYS 18 1HB CYS 18 -0.138 3.951 -0.973 60 2HB CYS 18 2HB CYS 18 1.494 4.427 -0.521 61 H SER 19 H SER 19 0.012 5.734 0.147 62 HA SER 19 HA SER 19 1.500 7.272 2.170 63 1HB SER 19 1HB SER 19 1.893 8.877 0.278 64 2HB SER 19 2HB SER 19 2.409 7.224 -0.084 65 HG SER 19 HG SER 19 1.204 8.084 -1.812 66 H GLU 20 H GLU 20 -1.149 6.726 2.489 67 HA GLU 20 HA GLU 20 -2.133 9.392 3.386 68 1HB GLU 20 1HB GLU 20 -3.149 8.888 1.158 69 2HB GLU 20 2HB GLU 20 -3.874 7.451 1.840 70 1HG GLU 20 1HG GLU 20 -5.627 8.961 1.947 71 2HG GLU 20 2HG GLU 20 -4.977 9.095 3.577 72 HA PRO 21 HA PRO 21 -2.531 6.528 6.880 73 1HB PRO 21 1HB PRO 21 -3.085 8.309 8.887 74 2HB PRO 21 2HB PRO 21 -1.483 8.222 8.096 75 1HG PRO 21 1HG PRO 21 -3.786 10.097 7.431 76 2HG PRO 21 2HG PRO 21 -2.079 10.532 7.782 77 1HD PRO 21 1HD PRO 21 -2.973 10.237 5.237 78 2HD PRO 21 2HD PRO 21 -1.341 9.675 5.701 79 HA PRO 22 HA PRO 22 -6.847 5.634 7.680 80 1HB PRO 22 1HB PRO 22 -6.205 5.848 10.627 81 2HB PRO 22 2HB PRO 22 -7.150 4.586 9.770 82 1HG PRO 22 1HG PRO 22 -4.611 4.115 10.458 83 2HG PRO 22 2HG PRO 22 -5.171 3.656 8.815 84 1HD PRO 22 1HD PRO 22 -3.591 6.109 9.642 85 2HD PRO 22 2HD PRO 22 -3.325 5.013 8.251 86 H GLY 23 H GLY 23 -8.756 6.323 8.904 87 1HA GLY 23 1HA GLY 23 -10.383 7.976 9.282 88 2HA GLY 23 2HA GLY 23 -9.102 9.145 9.596 89 H ALA 24 H ALA 24 -8.005 8.217 6.824 90 HA ALA 24 HA ALA 24 -9.992 9.375 4.945 91 1HB ALA 24 1HB ALA 24 -8.287 11.086 5.361 92 2HB ALA 24 2HB ALA 24 -6.993 9.925 4.995 93 3HB ALA 24 3HB ALA 24 -8.119 10.438 3.718 94 H HIS 25 H HIS 25 -10.583 7.126 4.808 95 HA HIS 25 HA HIS 25 -9.032 4.943 4.645 96 1HB HIS 25 1HB HIS 25 -11.739 5.410 3.327 97 2HB HIS 25 2HB HIS 25 -11.051 3.846 3.700 98 HD1 HIS 25 HD1 HIS 25 -10.418 3.621 6.551 99 HD2 HIS 25 HD2 HIS 25 -13.416 6.253 5.131 100 HE1 HIS 25 HE1 HIS 25 -11.932 4.168 8.564 101 HE2 HIS 25 HE2 HIS 25 -13.752 5.770 7.695 102 H GLY 26 H GLY 26 -9.922 6.790 1.885 103 1HA GLY 26 1HA GLY 26 -9.091 6.929 -0.296 104 2HA GLY 26 2HA GLY 26 -7.599 6.304 0.407 105 H GLU 27 H GLU 27 -7.092 5.242 -1.454 106 HA GLU 27 HA GLU 27 -8.441 2.624 -1.953 107 1HB GLU 27 1HB GLU 27 -7.459 4.569 -4.103 108 2HB GLU 27 2HB GLU 27 -7.891 2.875 -4.381 109 1HG GLU 27 1HG GLU 27 -10.200 3.338 -3.557 110 2HG GLU 27 2HG GLU 27 -9.783 5.045 -3.374 111 H CYS 28 H CYS 28 -7.366 1.238 -1.375 112 HA CYS 28 HA CYS 28 -4.672 1.088 -0.652 113 1HB CYS 28 1HB CYS 28 -6.735 -1.057 -1.264 114 2HB CYS 28 2HB CYS 28 -5.468 -1.156 -0.102 115 H TYR 29 H TYR 29 -3.601 -1.141 -1.295 116 HA TYR 29 HA TYR 29 -3.558 -1.757 -4.157 117 1HB TYR 29 1HB TYR 29 -1.075 -0.892 -2.588 118 2HB TYR 29 2HB TYR 29 -1.026 -1.560 -4.198 119 HD1 TYR 29 HD1 TYR 29 -1.473 1.421 -2.173 120 HD2 TYR 29 HD2 TYR 29 -1.901 -0.161 -6.175 121 HE1 TYR 29 HE1 TYR 29 -1.650 3.732 -3.080 122 HE2 TYR 29 HE2 TYR 29 -2.067 2.145 -7.062 123 HH TYR 29 HH TYR 29 -1.930 5.028 -4.945 124 HA PRO 30 HA PRO 30 -3.063 -5.810 -2.490 125 1HB PRO 30 1HB PRO 30 -0.915 -6.455 -4.438 126 2HB PRO 30 2HB PRO 30 -2.474 -7.280 -4.163 127 1HG PRO 30 1HG PRO 30 -2.061 -5.709 -6.375 128 2HG PRO 30 2HG PRO 30 -3.636 -5.701 -5.516 129 1HD PRO 30 1HD PRO 30 -1.349 -3.735 -5.257 130 2HD PRO 30 2HD PRO 30 -3.090 -3.403 -5.458 131 H GLN 31 H GLN 31 -1.800 -6.915 -1.049 132 HA GLN 31 HA GLN 31 0.799 -5.801 -0.183 133 1HB GLN 31 1HB GLN 31 -0.740 -8.297 0.691 134 2HB GLN 31 2HB GLN 31 0.739 -7.724 1.465 135 1HG GLN 31 1HG GLN 31 -0.309 -5.719 2.257 136 2HG GLN 31 2HG GLN 31 -1.766 -6.005 1.305 137 1HE2 GLN 31 1HE2 GLN 31 0.016 -8.366 3.450 138 2HE2 GLN 31 2HE2 GLN 31 -1.393 -8.595 4.478 139 H ASP 32 H ASP 32 -0.061 -7.767 -2.678 140 HA ASP 32 HA ASP 32 2.402 -9.231 -3.014 141 1HB ASP 32 1HB ASP 32 0.136 -9.337 -4.335 142 2HB ASP 32 2HB ASP 32 0.690 -7.915 -5.171 143 H TRP 33 H TRP 33 1.299 -6.054 -3.476 144 HA TRP 33 HA TRP 33 3.908 -4.937 -4.237 145 1HB TRP 33 1HB TRP 33 1.311 -3.441 -4.018 146 2HB TRP 33 2HB TRP 33 2.819 -2.899 -4.702 147 HD1 TRP 33 HD1 TRP 33 2.149 -6.217 -6.202 148 HE1 TRP 33 HE1 TRP 33 0.912 -6.045 -8.432 149 HE3 TRP 33 HE3 TRP 33 0.933 -1.240 -6.069 150 HZ2 TRP 33 HZ2 TRP 33 -0.574 -4.062 -9.896 151 HZ3 TRP 33 HZ3 TRP 33 -0.379 -0.233 -7.930 152 HH2 TRP 33 HH2 TRP 33 -1.199 -1.642 -9.796 153 H LEU 34 H LEU 34 3.726 -6.077 -1.944 154 HA LEU 34 HA LEU 34 4.811 -3.890 -0.251 155 1HB LEU 34 1HB LEU 34 2.553 -4.672 0.663 156 2HB LEU 34 2HB LEU 34 3.271 -6.253 0.897 157 HG LEU 34 HG LEU 34 5.065 -5.064 2.340 158 1HD1 LEU 34 1HD1 LEU 34 2.906 -2.918 2.416 159 2HD1 LEU 34 2HD1 LEU 34 4.411 -2.952 3.362 160 3HD1 LEU 34 3HD1 LEU 34 4.469 -2.739 1.604 161 1HD2 LEU 34 1HD2 LEU 34 2.156 -5.100 3.266 162 2HD2 LEU 34 2HD2 LEU 34 3.274 -6.482 3.281 163 3HD2 LEU 34 3HD2 LEU 34 3.587 -5.085 4.324 164 H CYS 35 H CYS 35 6.918 -4.237 -0.473 165 HA CYS 35 HA CYS 35 8.868 -5.042 -1.052 166 1HB CYS 35 1HB CYS 35 8.910 -5.647 1.067 167 2HB CYS 35 2HB CYS 35 8.038 -7.147 0.873 168 H ASP 36 H ASP 36 7.763 -5.084 -3.139 169 HA ASP 36 HA ASP 36 7.364 -7.758 -4.430 170 1HB ASP 36 1HB ASP 36 5.835 -5.832 -4.956 171 2HB ASP 36 2HB ASP 36 7.206 -4.970 -5.630 172 H GLY 37 H GLY 37 9.814 -5.483 -3.743 173 1HA GLY 37 1HA GLY 37 12.139 -5.623 -4.283 174 2HA GLY 37 2HA GLY 37 11.750 -6.665 -5.667 175 H HIS 38 H HIS 38 9.648 -4.241 -5.467 176 HA HIS 38 HA HIS 38 10.868 -2.253 -7.259 177 1HB HIS 38 1HB HIS 38 10.038 -3.858 -8.801 178 2HB HIS 38 2HB HIS 38 8.605 -4.174 -7.861 179 HD1 HIS 38 HD1 HIS 38 9.886 -1.313 -10.176 180 HD2 HIS 38 HD2 HIS 38 6.521 -2.686 -8.038 181 HE1 HIS 38 HE1 HIS 38 7.932 0.281 -10.752 182 HE2 HIS 38 HE2 HIS 38 5.863 -0.602 -9.477 183 HA PRO 39 HA PRO 39 8.179 -0.089 -4.268 184 1HB PRO 39 1HB PRO 39 8.662 2.492 -5.252 185 2HB PRO 39 2HB PRO 39 9.421 1.658 -3.891 186 1HG PRO 39 1HG PRO 39 10.700 2.328 -6.412 187 2HG PRO 39 2HG PRO 39 11.391 1.415 -5.039 188 1HD PRO 39 1HD PRO 39 10.223 0.398 -7.576 189 2HD PRO 39 2HD PRO 39 11.374 -0.393 -6.471 190 H ASP 40 H ASP 40 6.182 0.957 -4.346 191 HA ASP 40 HA ASP 40 5.226 2.104 -6.907 192 1HB ASP 40 1HB ASP 40 4.655 -0.588 -6.467 193 2HB ASP 40 2HB ASP 40 3.213 0.196 -5.856 194 H CYS 41 H CYS 41 5.601 2.476 -3.724 195 HA CYS 41 HA CYS 41 2.918 2.943 -2.951 196 1HB CYS 41 1HB CYS 41 5.303 2.628 -1.601 197 2HB CYS 41 2HB CYS 41 4.608 4.115 -1.011 198 H ASP 42 H ASP 42 3.885 4.714 -4.947 199 HA ASP 42 HA ASP 42 4.567 6.750 -5.607 200 1HB ASP 42 1HB ASP 42 2.066 7.066 -5.345 201 2HB ASP 42 2HB ASP 42 2.384 7.862 -3.805 202 H ASP 43 H ASP 43 5.176 5.998 -2.581 203 HA ASP 43 HA ASP 43 7.461 7.830 -2.594 204 1HB ASP 43 1HB ASP 43 5.647 8.012 -0.640 205 2HB ASP 43 2HB ASP 43 6.598 6.683 -0.009 206 H GLY 44 H GLY 44 6.515 4.845 -3.099 207 1HA GLY 44 1HA GLY 44 7.667 2.735 -3.188 208 2HA GLY 44 2HA GLY 44 9.160 3.588 -2.853 209 H ARG 45 H ARG 45 6.543 3.764 -0.698 210 HA ARG 45 HA ARG 45 8.239 2.669 1.504 211 1HB ARG 45 1HB ARG 45 6.714 3.645 3.110 212 2HB ARG 45 2HB ARG 45 7.347 4.860 2.010 213 1HG ARG 45 1HG ARG 45 5.266 4.981 0.797 214 2HG ARG 45 2HG ARG 45 4.584 3.616 1.701 215 1HD ARG 45 1HD ARG 45 5.481 6.200 3.021 216 2HD ARG 45 2HD ARG 45 3.850 5.972 2.363 217 HE ARG 45 HE ARG 45 4.220 3.763 3.995 218 1HH1 ARG 45 1HH1 ARG 45 4.172 7.213 4.573 219 2HH1 ARG 45 2HH1 ARG 45 3.572 7.018 6.201 220 1HH2 ARG 45 2HH2 ARG 45 3.497 3.581 6.072 221 2HH2 ARG 45 1HH2 ARG 45 3.205 5.014 7.019 222 H ASP 46 H ASP 46 6.510 1.252 -0.728 223 HA ASP 46 HA ASP 46 5.206 -0.663 0.968 224 1HB ASP 46 1HB ASP 46 4.902 -1.856 -1.150 225 2HB ASP 46 2HB ASP 46 4.138 -0.276 -1.197 226 H GLU 47 H GLU 47 8.162 0.015 -0.726 227 HA GLU 47 HA GLU 47 9.200 -2.671 -0.479 228 1HB GLU 47 1HB GLU 47 10.425 0.018 -1.145 229 2HB GLU 47 2HB GLU 47 11.391 -1.440 -1.101 230 1HG GLU 47 1HG GLU 47 8.848 -1.374 -2.738 231 2HG GLU 47 2HG GLU 47 10.316 -0.623 -3.327 232 H TRP 48 H TRP 48 9.291 0.207 1.340 233 HA TRP 48 HA TRP 48 11.726 -0.022 2.656 234 1HB TRP 48 1HB TRP 48 9.292 1.447 3.675 235 2HB TRP 48 2HB TRP 48 10.936 1.628 4.264 236 HD1 TRP 48 HD1 TRP 48 11.297 1.557 0.609 237 HE1 TRP 48 HE1 TRP 48 11.023 3.842 -0.452 238 HE3 TRP 48 HE3 TRP 48 9.653 4.019 4.687 239 HZ2 TRP 48 HZ2 TRP 48 10.375 6.594 0.477 240 HZ3 TRP 48 HZ3 TRP 48 9.230 6.521 4.633 241 HH2 TRP 48 HH2 TRP 48 9.600 7.780 2.523 242 H GLY 49 H GLY 49 12.357 -1.438 3.736 243 1HA GLY 49 1HA GLY 49 12.881 -2.692 5.692 244 2HA GLY 49 2HA GLY 49 11.363 -2.138 6.405 245 H CYS 50 H CYS 50 10.597 -3.456 3.362 246 HA CYS 50 HA CYS 50 9.112 -5.059 2.935 247 1HB CYS 50 1HB CYS 50 11.381 -5.534 2.220 248 2HB CYS 50 2HB CYS 50 11.732 -6.315 3.734 249 H GLY 51 H GLY 51 8.657 -4.335 5.600 250 1HA GLY 51 1HA GLY 51 6.946 -6.551 6.522 251 2HA GLY 51 2HA GLY 51 8.306 -6.213 7.594 Start of MODEL 15 1 H SER 10 H SER 10 -5.847 -0.588 5.136 2 HA SER 10 HA SER 10 -6.482 -3.285 5.979 3 1HB SER 10 1HB SER 10 -6.215 -2.111 8.189 4 2HB SER 10 2HB SER 10 -7.479 -0.970 7.699 5 HG SER 10 HG SER 10 -8.294 -2.759 8.924 6 H CYS 11 H CYS 11 -7.496 -3.576 4.135 7 HA CYS 11 HA CYS 11 -9.653 -1.771 3.180 8 1HB CYS 11 1HB CYS 11 -7.114 -1.764 2.232 9 2HB CYS 11 2HB CYS 11 -7.707 -3.110 1.308 10 HA PRO 12 HA PRO 12 -11.013 -6.216 2.336 11 1HB PRO 12 1HB PRO 12 -9.605 -6.763 -0.258 12 2HB PRO 12 2HB PRO 12 -11.319 -7.060 0.154 13 1HG PRO 12 1HG PRO 12 -10.607 -5.023 -1.507 14 2HG PRO 12 2HG PRO 12 -11.920 -4.822 -0.300 15 1HD PRO 12 1HD PRO 12 -9.023 -3.994 -0.076 16 2HD PRO 12 2HD PRO 12 -10.492 -3.034 0.277 17 HA PRO 13 HA PRO 13 -7.293 -8.285 3.712 18 1HB PRO 13 1HB PRO 13 -7.602 -10.944 3.170 19 2HB PRO 13 2HB PRO 13 -8.581 -10.095 4.409 20 1HG PRO 13 1HG PRO 13 -9.318 -10.683 1.530 21 2HG PRO 13 2HG PRO 13 -10.296 -10.999 3.003 22 1HD PRO 13 1HD PRO 13 -10.666 -8.788 1.466 23 2HD PRO 13 2HD PRO 13 -10.818 -8.697 3.248 24 H GLY 14 H GLY 14 -5.381 -8.942 3.122 25 1HA GLY 14 1HA GLY 14 -3.496 -9.006 1.829 26 2HA GLY 14 2HA GLY 14 -4.454 -9.657 0.506 27 H GLN 15 H GLN 15 -5.346 -6.452 1.787 28 HA GLN 15 HA GLN 15 -3.925 -5.033 -0.335 29 1HB GLN 15 1HB GLN 15 -6.882 -5.268 -0.037 30 2HB GLN 15 2HB GLN 15 -6.209 -3.691 -0.466 31 1HG GLN 15 1HG GLN 15 -5.265 -4.426 -2.468 32 2HG GLN 15 2HG GLN 15 -5.241 -6.120 -1.969 33 1HE2 GLN 15 2HE2 GLN 15 -7.368 -7.208 -1.634 34 2HE2 GLN 15 1HE2 GLN 15 -8.553 -6.827 -2.877 35 H PHE 16 H PHE 16 -2.933 -3.414 0.525 36 HA PHE 16 HA PHE 16 -3.816 -2.218 3.155 37 1HB PHE 16 1HB PHE 16 -1.613 -2.098 3.936 38 2HB PHE 16 2HB PHE 16 -1.702 -3.687 3.212 39 HD1 PHE 16 HD1 PHE 16 0.031 -0.509 3.249 40 HD2 PHE 16 HD2 PHE 16 -0.834 -3.905 0.784 41 HE1 PHE 16 HE1 PHE 16 1.800 0.191 1.678 42 HE2 PHE 16 HE2 PHE 16 0.992 -3.282 -0.752 43 HZ PHE 16 HZ PHE 16 2.285 -1.253 -0.380 44 H ARG 17 H ARG 17 -3.086 0.062 3.540 45 HA ARG 17 HA ARG 17 -2.931 1.614 0.986 46 1HB ARG 17 1HB ARG 17 -3.782 3.511 2.120 47 2HB ARG 17 2HB ARG 17 -4.868 2.112 2.284 48 1HG ARG 17 1HG ARG 17 -4.068 1.779 4.623 49 2HG ARG 17 2HG ARG 17 -3.011 3.187 4.454 50 1HD ARG 17 1HD ARG 17 -5.056 3.817 5.643 51 2HD ARG 17 2HD ARG 17 -4.954 4.647 4.094 52 HE ARG 17 HE ARG 17 -6.859 3.560 3.348 53 1HH1 ARG 17 1HH1 ARG 17 -5.939 1.890 6.303 54 2HH1 ARG 17 2HH1 ARG 17 -7.382 0.894 6.218 55 1HH2 ARG 17 2HH2 ARG 17 -8.527 2.224 3.304 56 2HH2 ARG 17 1HH2 ARG 17 -8.687 0.954 4.518 57 H CYS 18 H CYS 18 -1.567 3.147 0.611 58 HA CYS 18 HA CYS 18 1.108 2.753 1.742 59 1HB CYS 18 1HB CYS 18 -0.094 3.942 -0.747 60 2HB CYS 18 2HB CYS 18 1.544 4.386 -0.285 61 H SER 19 H SER 19 0.138 5.707 0.446 62 HA SER 19 HA SER 19 1.463 7.154 2.696 63 1HB SER 19 1HB SER 19 1.473 7.856 -0.264 64 2HB SER 19 2HB SER 19 2.397 8.676 1.011 65 HG SER 19 HG SER 19 3.009 6.446 -0.364 66 H GLU 20 H GLU 20 -1.170 6.736 2.650 67 HA GLU 20 HA GLU 20 -2.156 9.470 3.241 68 1HB GLU 20 1HB GLU 20 -3.013 8.901 1.041 69 2HB GLU 20 2HB GLU 20 -3.754 7.432 1.667 70 1HG GLU 20 1HG GLU 20 -5.281 8.730 3.072 71 2HG GLU 20 2HG GLU 20 -4.425 10.224 2.685 72 HA PRO 21 HA PRO 21 -2.682 6.999 6.940 73 1HB PRO 21 1HB PRO 21 -3.454 8.938 8.723 74 2HB PRO 21 2HB PRO 21 -1.812 8.870 8.015 75 1HG PRO 21 1HG PRO 21 -4.184 10.517 7.057 76 2HG PRO 21 2HG PRO 21 -2.521 11.090 7.425 77 1HD PRO 21 1HD PRO 21 -3.268 10.474 4.885 78 2HD PRO 21 2HD PRO 21 -1.638 10.054 5.489 79 HA PRO 22 HA PRO 22 -6.936 5.838 7.716 80 1HB PRO 22 1HB PRO 22 -6.392 6.404 10.637 81 2HB PRO 22 2HB PRO 22 -7.215 4.991 9.899 82 1HG PRO 22 1HG PRO 22 -4.668 4.791 10.676 83 2HG PRO 22 2HG PRO 22 -5.148 4.128 9.077 84 1HD PRO 22 1HD PRO 22 -3.781 6.768 9.682 85 2HD PRO 22 2HD PRO 22 -3.398 5.563 8.413 86 H GLY 23 H GLY 23 -8.928 6.494 8.822 87 1HA GLY 23 1HA GLY 23 -10.691 8.033 9.011 88 2HA GLY 23 2HA GLY 23 -9.516 9.317 9.291 89 H ALA 24 H ALA 24 -8.257 8.320 6.614 90 HA ALA 24 HA ALA 24 -10.244 9.281 4.621 91 1HB ALA 24 1HB ALA 24 -8.560 11.033 4.965 92 2HB ALA 24 2HB ALA 24 -7.250 9.864 4.690 93 3HB ALA 24 3HB ALA 24 -8.359 10.288 3.368 94 H HIS 25 H HIS 25 -10.795 7.016 4.662 95 HA HIS 25 HA HIS 25 -9.207 4.837 4.564 96 1HB HIS 25 1HB HIS 25 -11.937 5.167 3.249 97 2HB HIS 25 2HB HIS 25 -11.222 3.665 3.792 98 HD1 HIS 25 HD1 HIS 25 -10.580 3.813 6.669 99 HD2 HIS 25 HD2 HIS 25 -13.642 6.166 4.931 100 HE1 HIS 25 HE1 HIS 25 -12.102 4.587 8.602 101 HE2 HIS 25 HE2 HIS 25 -13.962 6.016 7.538 102 H GLY 26 H GLY 26 -10.263 6.541 1.770 103 1HA GLY 26 1HA GLY 26 -9.484 6.667 -0.433 104 2HA GLY 26 2HA GLY 26 -7.942 6.186 0.276 105 H GLU 27 H GLU 27 -7.359 5.129 -1.555 106 HA GLU 27 HA GLU 27 -8.477 2.382 -1.965 107 1HB GLU 27 1HB GLU 27 -9.287 3.893 -3.797 108 2HB GLU 27 2HB GLU 27 -7.610 4.276 -4.207 109 1HG GLU 27 1HG GLU 27 -7.188 1.902 -4.754 110 2HG GLU 27 2HG GLU 27 -8.817 1.472 -4.230 111 H CYS 28 H CYS 28 -7.298 1.165 -1.239 112 HA CYS 28 HA CYS 28 -4.553 1.142 -0.701 113 1HB CYS 28 1HB CYS 28 -5.290 -1.292 -0.351 114 2HB CYS 28 2HB CYS 28 -6.035 -0.061 0.589 115 H TYR 29 H TYR 29 -3.526 -1.056 -1.241 116 HA TYR 29 HA TYR 29 -3.509 -1.759 -4.107 117 1HB TYR 29 1HB TYR 29 -0.995 -0.935 -2.572 118 2HB TYR 29 2HB TYR 29 -0.997 -1.567 -4.197 119 HD1 TYR 29 HD1 TYR 29 -1.298 1.362 -2.093 120 HD2 TYR 29 HD2 TYR 29 -1.935 -0.089 -6.118 121 HE1 TYR 29 HE1 TYR 29 -1.484 3.702 -2.921 122 HE2 TYR 29 HE2 TYR 29 -2.110 2.244 -6.923 123 HH TYR 29 HH TYR 29 -1.846 5.059 -4.727 124 HA PRO 30 HA PRO 30 -3.078 -5.817 -2.424 125 1HB PRO 30 1HB PRO 30 -0.959 -6.481 -4.395 126 2HB PRO 30 2HB PRO 30 -2.515 -7.302 -4.088 127 1HG PRO 30 1HG PRO 30 -2.145 -5.747 -6.315 128 2HG PRO 30 2HG PRO 30 -3.701 -5.722 -5.420 129 1HD PRO 30 1HD PRO 30 -1.398 -3.765 -5.234 130 2HD PRO 30 2HD PRO 30 -3.146 -3.430 -5.385 131 H GLN 31 H GLN 31 -1.839 -6.936 -0.992 132 HA GLN 31 HA GLN 31 0.785 -5.866 -0.142 133 1HB GLN 31 1HB GLN 31 -0.847 -8.301 0.765 134 2HB GLN 31 2HB GLN 31 0.669 -7.795 1.521 135 1HG GLN 31 1HG GLN 31 -0.281 -5.723 2.288 136 2HG GLN 31 2HG GLN 31 -1.762 -5.971 1.360 137 1HE2 GLN 31 1HE2 GLN 31 -0.036 -8.331 3.552 138 2HE2 GLN 31 2HE2 GLN 31 -1.444 -8.489 4.595 139 H ASP 32 H ASP 32 -0.101 -7.815 -2.626 140 HA ASP 32 HA ASP 32 2.353 -9.296 -2.963 141 1HB ASP 32 1HB ASP 32 0.087 -9.399 -4.277 142 2HB ASP 32 2HB ASP 32 0.630 -7.970 -5.108 143 H TRP 33 H TRP 33 1.264 -6.114 -3.435 144 HA TRP 33 HA TRP 33 3.869 -5.015 -4.227 145 1HB TRP 33 1HB TRP 33 1.288 -3.499 -3.982 146 2HB TRP 33 2HB TRP 33 2.791 -2.973 -4.688 147 HD1 TRP 33 HD1 TRP 33 2.104 -6.288 -6.166 148 HE1 TRP 33 HE1 TRP 33 0.839 -6.124 -8.382 149 HE3 TRP 33 HE3 TRP 33 0.887 -1.314 -6.033 150 HZ2 TRP 33 HZ2 TRP 33 -0.659 -4.144 -9.839 151 HZ3 TRP 33 HZ3 TRP 33 -0.446 -0.309 -7.883 152 HH2 TRP 33 HH2 TRP 33 -1.277 -1.721 -9.743 153 H LEU 34 H LEU 34 3.703 -6.143 -1.922 154 HA LEU 34 HA LEU 34 4.815 -3.957 -0.245 155 1HB LEU 34 1HB LEU 34 2.554 -4.748 0.676 156 2HB LEU 34 2HB LEU 34 3.282 -6.323 0.914 157 HG LEU 34 HG LEU 34 5.056 -5.140 2.367 158 1HD1 LEU 34 1HD1 LEU 34 2.929 -2.962 2.407 159 2HD1 LEU 34 2HD1 LEU 34 4.423 -3.012 3.366 160 3HD1 LEU 34 3HD1 LEU 34 4.502 -2.813 1.609 161 1HD2 LEU 34 1HD2 LEU 34 3.555 -5.120 4.335 162 2HD2 LEU 34 2HD2 LEU 34 2.136 -5.111 3.264 163 3HD2 LEU 34 3HD2 LEU 34 3.223 -6.519 3.301 164 H CYS 35 H CYS 35 6.918 -4.303 -0.487 165 HA CYS 35 HA CYS 35 8.842 -5.079 -1.134 166 1HB CYS 35 1HB CYS 35 8.967 -5.737 0.968 167 2HB CYS 35 2HB CYS 35 8.106 -7.242 0.763 168 H ASP 36 H ASP 36 7.741 -5.075 -3.194 169 HA ASP 36 HA ASP 36 7.340 -7.720 -4.547 170 1HB ASP 36 1HB ASP 36 5.792 -5.805 -5.023 171 2HB ASP 36 2HB ASP 36 7.156 -4.903 -5.673 172 H GLY 37 H GLY 37 9.781 -5.436 -3.829 173 1HA GLY 37 1HA GLY 37 12.105 -5.564 -4.379 174 2HA GLY 37 2HA GLY 37 11.713 -6.576 -5.783 175 H HIS 38 H HIS 38 9.604 -4.156 -5.521 176 HA HIS 38 HA HIS 38 10.820 -2.123 -7.263 177 1HB HIS 38 1HB HIS 38 10.002 -3.684 -8.850 178 2HB HIS 38 2HB HIS 38 8.580 -4.055 -7.914 179 HD1 HIS 38 HD1 HIS 38 9.782 -1.122 -10.175 180 HD2 HIS 38 HD2 HIS 38 6.469 -2.601 -8.024 181 HE1 HIS 38 HE1 HIS 38 7.792 0.443 -10.697 182 HE2 HIS 38 HE2 HIS 38 5.753 -0.507 -9.417 183 HA PRO 39 HA PRO 39 8.140 -0.016 -4.239 184 1HB PRO 39 1HB PRO 39 8.502 2.581 -5.180 185 2HB PRO 39 2HB PRO 39 9.402 1.739 -3.916 186 1HG PRO 39 1HG PRO 39 10.343 2.460 -6.609 187 2HG PRO 39 2HG PRO 39 11.279 1.749 -5.263 188 1HD PRO 39 1HD PRO 39 10.130 0.434 -7.629 189 2HD PRO 39 2HD PRO 39 11.288 -0.224 -6.451 190 H ASP 40 H ASP 40 6.103 0.964 -4.268 191 HA ASP 40 HA ASP 40 5.084 2.129 -6.797 192 1HB ASP 40 1HB ASP 40 4.543 -0.577 -6.356 193 2HB ASP 40 2HB ASP 40 3.102 0.202 -5.733 194 H CYS 41 H CYS 41 5.532 2.479 -3.621 195 HA CYS 41 HA CYS 41 2.866 2.923 -2.796 196 1HB CYS 41 1HB CYS 41 5.284 2.623 -1.494 197 2HB CYS 41 2HB CYS 41 4.577 4.095 -0.868 198 H ASP 42 H ASP 42 3.792 4.711 -4.798 199 HA ASP 42 HA ASP 42 4.452 6.751 -5.465 200 1HB ASP 42 1HB ASP 42 1.964 7.088 -5.143 201 2HB ASP 42 2HB ASP 42 2.318 7.850 -3.594 202 H ASP 43 H ASP 43 5.089 5.984 -2.446 203 HA ASP 43 HA ASP 43 7.358 7.842 -2.336 204 1HB ASP 43 1HB ASP 43 5.493 8.004 -0.515 205 2HB ASP 43 2HB ASP 43 6.245 6.548 0.102 206 H GLY 44 H GLY 44 6.460 4.853 -2.990 207 1HA GLY 44 1HA GLY 44 7.607 2.744 -3.095 208 2HA GLY 44 2HA GLY 44 9.096 3.604 -2.761 209 H ARG 45 H ARG 45 6.499 3.711 -0.562 210 HA ARG 45 HA ARG 45 8.262 2.594 1.574 211 1HB ARG 45 1HB ARG 45 6.883 3.537 3.243 212 2HB ARG 45 2HB ARG 45 7.267 4.789 2.071 213 1HG ARG 45 1HG ARG 45 5.011 4.677 1.133 214 2HG ARG 45 2HG ARG 45 4.627 3.265 2.134 215 1HD ARG 45 1HD ARG 45 3.614 5.231 3.091 216 2HD ARG 45 2HD ARG 45 4.881 4.619 4.167 217 HE ARG 45 HE ARG 45 5.796 6.713 2.330 218 1HH1 ARG 45 2HH1 ARG 45 4.187 6.325 5.414 219 2HH1 ARG 45 1HH1 ARG 45 4.741 7.881 5.983 220 1HH2 ARG 45 2HH2 ARG 45 6.514 8.568 3.101 221 2HH2 ARG 45 1HH2 ARG 45 6.020 9.158 4.687 222 H ASP 46 H ASP 46 6.489 1.205 -0.648 223 HA ASP 46 HA ASP 46 5.220 -0.754 1.020 224 1HB ASP 46 1HB ASP 46 4.892 -1.900 -1.118 225 2HB ASP 46 2HB ASP 46 4.143 -0.310 -1.135 226 H GLU 47 H GLU 47 8.149 -0.025 -0.697 227 HA GLU 47 HA GLU 47 9.216 -2.703 -0.528 228 1HB GLU 47 1HB GLU 47 10.406 0.017 -1.140 229 2HB GLU 47 2HB GLU 47 11.387 -1.431 -1.144 230 1HG GLU 47 1HG GLU 47 8.823 -1.353 -2.747 231 2HG GLU 47 2HG GLU 47 10.277 -0.581 -3.340 232 H TRP 48 H TRP 48 9.302 0.118 1.374 233 HA TRP 48 HA TRP 48 11.769 -0.098 2.614 234 1HB TRP 48 1HB TRP 48 9.328 1.270 3.747 235 2HB TRP 48 2HB TRP 48 10.978 1.469 4.313 236 HD1 TRP 48 HD1 TRP 48 11.245 1.550 0.643 237 HE1 TRP 48 HE1 TRP 48 10.897 3.872 -0.311 238 HE3 TRP 48 HE3 TRP 48 9.677 3.805 4.867 239 HZ2 TRP 48 HZ2 TRP 48 10.194 6.567 0.748 240 HZ3 TRP 48 HZ3 TRP 48 9.194 6.294 4.932 241 HH2 TRP 48 HH2 TRP 48 9.469 7.648 2.868 242 H GLY 49 H GLY 49 12.474 -1.532 3.611 243 1HA GLY 49 1HA GLY 49 13.110 -2.849 5.484 244 2HA GLY 49 2HA GLY 49 11.618 -2.353 6.289 245 H CYS 50 H CYS 50 10.716 -3.577 3.251 246 HA CYS 50 HA CYS 50 9.246 -5.192 2.836 247 1HB CYS 50 1HB CYS 50 11.487 -5.605 1.999 248 2HB CYS 50 2HB CYS 50 11.924 -6.421 3.470 249 H GLY 51 H GLY 51 8.986 -4.600 5.606 250 1HA GLY 51 1HA GLY 51 7.514 -7.013 6.575 251 2HA GLY 51 2HA GLY 51 8.808 -6.389 7.597 Start of MODEL 16 1 H SER 10 H SER 10 -6.000 -0.856 6.156 2 HA SER 10 HA SER 10 -7.793 -2.906 7.146 3 1HB SER 10 1HB SER 10 -8.036 -0.038 8.188 4 2HB SER 10 2HB SER 10 -9.387 -1.184 8.185 5 HG SER 10 HG SER 10 -6.897 -1.848 9.366 6 H CYS 11 H CYS 11 -8.190 -3.426 5.244 7 HA CYS 11 HA CYS 11 -9.211 -1.757 3.080 8 1HB CYS 11 1HB CYS 11 -6.524 -3.002 3.743 9 2HB CYS 11 2HB CYS 11 -7.074 -3.193 2.149 10 HA PRO 12 HA PRO 12 -10.795 -5.934 2.197 11 1HB PRO 12 1HB PRO 12 -9.544 -6.205 -0.485 12 2HB PRO 12 2HB PRO 12 -11.278 -6.154 -0.079 13 1HG PRO 12 1HG PRO 12 -10.010 -4.068 -1.354 14 2HG PRO 12 2HG PRO 12 -11.359 -3.825 -0.201 15 1HD PRO 12 1HD PRO 12 -8.391 -3.587 0.318 16 2HD PRO 12 2HD PRO 12 -9.708 -2.489 0.806 17 HA PRO 13 HA PRO 13 -7.434 -8.723 3.048 18 1HB PRO 13 1HB PRO 13 -7.999 -11.144 1.903 19 2HB PRO 13 2HB PRO 13 -8.951 -10.475 3.266 20 1HG PRO 13 1HG PRO 13 -9.571 -10.318 0.306 21 2HG PRO 13 2HG PRO 13 -10.666 -10.829 1.634 22 1HD PRO 13 1HD PRO 13 -10.695 -8.304 0.628 23 2HD PRO 13 2HD PRO 13 -10.941 -8.592 2.380 24 H GLY 14 H GLY 14 -5.587 -9.487 2.423 25 1HA GLY 14 1HA GLY 14 -3.583 -9.327 1.334 26 2HA GLY 14 2HA GLY 14 -4.417 -9.820 -0.136 27 H GLN 15 H GLN 15 -5.186 -6.779 1.580 28 HA GLN 15 HA GLN 15 -3.736 -5.155 -0.372 29 1HB GLN 15 1HB GLN 15 -6.681 -5.230 0.052 30 2HB GLN 15 2HB GLN 15 -5.922 -3.651 -0.164 31 1HG GLN 15 1HG GLN 15 -5.170 -4.112 -2.317 32 2HG GLN 15 2HG GLN 15 -5.166 -5.861 -2.072 33 1HE2 GLN 15 2HE2 GLN 15 -7.345 -6.898 -1.697 34 2HE2 GLN 15 1HE2 GLN 15 -8.556 -6.348 -2.855 35 H PHE 16 H PHE 16 -2.946 -3.427 0.496 36 HA PHE 16 HA PHE 16 -3.795 -2.350 3.189 37 1HB PHE 16 1HB PHE 16 -1.602 -2.110 4.011 38 2HB PHE 16 2HB PHE 16 -1.621 -3.721 3.331 39 HD1 PHE 16 HD1 PHE 16 0.091 -0.548 3.359 40 HD2 PHE 16 HD2 PHE 16 -0.789 -3.921 0.875 41 HE1 PHE 16 HE1 PHE 16 1.843 0.172 1.768 42 HE2 PHE 16 HE2 PHE 16 0.989 -3.255 -0.699 43 HZ PHE 16 HZ PHE 16 2.302 -1.255 -0.307 44 H ARG 17 H ARG 17 -3.123 0.027 3.533 45 HA ARG 17 HA ARG 17 -2.945 1.479 0.928 46 1HB ARG 17 1HB ARG 17 -3.798 3.424 1.978 47 2HB ARG 17 2HB ARG 17 -4.890 2.039 2.213 48 1HG ARG 17 1HG ARG 17 -4.120 1.814 4.554 49 2HG ARG 17 2HG ARG 17 -2.987 3.155 4.324 50 1HD ARG 17 1HD ARG 17 -4.997 3.932 5.493 51 2HD ARG 17 2HD ARG 17 -4.821 4.714 3.926 52 HE ARG 17 HE ARG 17 -6.796 3.754 3.194 53 1HH1 ARG 17 2HH2 ARG 17 -5.988 2.043 6.168 54 2HH1 ARG 17 1HH2 ARG 17 -7.472 1.102 6.027 55 1HH2 ARG 17 1HH1 ARG 17 -8.530 2.504 3.142 56 2HH2 ARG 17 2HH1 ARG 17 -8.771 1.264 4.379 57 H CYS 18 H CYS 18 -1.623 3.073 0.551 58 HA CYS 18 HA CYS 18 1.067 2.697 1.671 59 1HB CYS 18 1HB CYS 18 -0.142 3.879 -0.821 60 2HB CYS 18 2HB CYS 18 1.507 4.294 -0.371 61 H SER 19 H SER 19 0.116 5.631 0.328 62 HA SER 19 HA SER 19 1.551 7.087 2.475 63 1HB SER 19 1HB SER 19 2.214 8.651 0.588 64 2HB SER 19 2HB SER 19 2.775 6.983 0.428 65 HG SER 19 HG SER 19 1.801 6.933 -1.395 66 H GLU 20 H GLU 20 -1.092 6.676 2.622 67 HA GLU 20 HA GLU 20 -2.015 9.411 3.307 68 1HB GLU 20 1HB GLU 20 -2.996 8.878 1.147 69 2HB GLU 20 2HB GLU 20 -3.717 7.405 1.792 70 1HG GLU 20 1HG GLU 20 -5.177 8.697 3.264 71 2HG GLU 20 2HG GLU 20 -4.307 10.186 2.887 72 HA PRO 21 HA PRO 21 -2.570 6.990 7.065 73 1HB PRO 21 1HB PRO 21 -3.505 8.953 8.752 74 2HB PRO 21 2HB PRO 21 -1.819 8.900 8.156 75 1HG PRO 21 1HG PRO 21 -4.151 10.489 7.027 76 2HG PRO 21 2HG PRO 21 -2.517 11.088 7.467 77 1HD PRO 21 1HD PRO 21 -3.128 10.415 4.909 78 2HD PRO 21 2HD PRO 21 -1.525 10.026 5.598 79 HA PRO 22 HA PRO 22 -6.878 5.848 7.404 80 1HB PRO 22 1HB PRO 22 -7.264 5.258 10.058 81 2HB PRO 22 2HB PRO 22 -6.287 4.246 8.951 82 1HG PRO 22 1HG PRO 22 -5.306 6.407 10.846 83 2HG PRO 22 2HG PRO 22 -4.722 4.720 10.679 84 1HD PRO 22 1HD PRO 22 -3.463 6.777 9.437 85 2HD PRO 22 2HD PRO 22 -3.655 5.205 8.609 86 H GLY 23 H GLY 23 -8.916 6.346 8.658 87 1HA GLY 23 1HA GLY 23 -10.582 7.941 9.087 88 2HA GLY 23 2HA GLY 23 -9.340 9.142 9.435 89 H ALA 24 H ALA 24 -8.250 8.147 6.642 90 HA ALA 24 HA ALA 24 -10.204 9.350 4.763 91 1HB ALA 24 1HB ALA 24 -8.497 11.064 5.192 92 2HB ALA 24 2HB ALA 24 -7.202 9.903 4.824 93 3HB ALA 24 3HB ALA 24 -8.324 10.419 3.547 94 H HIS 25 H HIS 25 -10.810 7.125 4.552 95 HA HIS 25 HA HIS 25 -9.248 4.933 4.401 96 1HB HIS 25 1HB HIS 25 -11.918 5.385 3.005 97 2HB HIS 25 2HB HIS 25 -11.239 3.837 3.460 98 HD1 HIS 25 HD1 HIS 25 -13.707 6.149 4.729 99 HD2 HIS 25 HD2 HIS 25 -10.572 3.824 6.368 100 HE1 HIS 25 HE1 HIS 25 -14.206 5.915 7.245 101 HE2 HIS 25 HE2 HIS 25 -12.305 4.494 8.240 102 H GLY 26 H GLY 26 -10.142 6.799 1.648 103 1HA GLY 26 1HA GLY 26 -9.329 6.920 -0.557 104 2HA GLY 26 2HA GLY 26 -7.812 6.377 0.167 105 H GLU 27 H GLU 27 -7.113 5.111 -1.416 106 HA GLU 27 HA GLU 27 -8.424 2.478 -1.894 107 1HB GLU 27 1HB GLU 27 -7.268 4.328 -4.042 108 2HB GLU 27 2HB GLU 27 -7.556 2.614 -4.291 109 1HG GLU 27 1HG GLU 27 -9.691 4.691 -3.644 110 2HG GLU 27 2HG GLU 27 -9.328 4.052 -5.240 111 H CYS 28 H CYS 28 -7.391 1.107 -1.174 112 HA CYS 28 HA CYS 28 -4.699 0.938 -0.409 113 1HB CYS 28 1HB CYS 28 -6.653 -1.262 -1.170 114 2HB CYS 28 2HB CYS 28 -5.417 -1.281 0.039 115 H TYR 29 H TYR 29 -3.529 -1.133 -1.182 116 HA TYR 29 HA TYR 29 -3.497 -1.669 -4.067 117 1HB TYR 29 1HB TYR 29 -1.019 -0.829 -2.475 118 2HB TYR 29 2HB TYR 29 -0.977 -1.461 -4.103 119 HD1 TYR 29 HD1 TYR 29 -1.759 -0.060 -6.049 120 HD2 TYR 29 HD2 TYR 29 -1.572 1.485 -2.019 121 HE1 TYR 29 HE1 TYR 29 -1.939 2.254 -6.924 122 HE2 TYR 29 HE2 TYR 29 -1.761 3.805 -2.909 123 HH TYR 29 HH TYR 29 -1.969 5.116 -4.773 124 HA PRO 30 HA PRO 30 -3.021 -5.760 -2.541 125 1HB PRO 30 1HB PRO 30 -0.829 -6.325 -4.478 126 2HB PRO 30 2HB PRO 30 -2.372 -7.193 -4.241 127 1HG PRO 30 1HG PRO 30 -1.994 -5.551 -6.396 128 2HG PRO 30 2HG PRO 30 -3.565 -5.583 -5.530 129 1HD PRO 30 1HD PRO 30 -1.301 -3.598 -5.233 130 2HD PRO 30 2HD PRO 30 -3.050 -3.286 -5.403 131 H GLN 31 H GLN 31 -1.805 -6.969 -1.135 132 HA GLN 31 HA GLN 31 0.764 -5.882 -0.137 133 1HB GLN 31 1HB GLN 31 -0.854 -8.389 0.630 134 2HB GLN 31 2HB GLN 31 0.604 -7.850 1.471 135 1HG GLN 31 1HG GLN 31 -0.501 -5.825 2.226 136 2HG GLN 31 2HG GLN 31 -1.943 -6.198 1.290 137 1HE2 GLN 31 1HE2 GLN 31 -3.312 -6.155 3.284 138 2HE2 GLN 31 2HE2 GLN 31 -3.148 -7.504 4.394 139 H ASP 32 H ASP 32 -0.089 -7.822 -2.688 140 HA ASP 32 HA ASP 32 2.383 -9.272 -3.004 141 1HB ASP 32 1HB ASP 32 0.135 -9.386 -4.343 142 2HB ASP 32 2HB ASP 32 0.672 -7.948 -5.158 143 H TRP 33 H TRP 33 1.270 -6.098 -3.450 144 HA TRP 33 HA TRP 33 3.873 -4.967 -4.204 145 1HB TRP 33 1HB TRP 33 1.272 -3.477 -3.989 146 2HB TRP 33 2HB TRP 33 2.783 -2.927 -4.650 147 HD1 TRP 33 HD1 TRP 33 2.161 -6.240 -6.171 148 HE1 TRP 33 HE1 TRP 33 0.959 -6.077 -8.420 149 HE3 TRP 33 HE3 TRP 33 0.872 -1.281 -6.040 150 HZ2 TRP 33 HZ2 TRP 33 -0.522 -4.108 -9.904 151 HZ3 TRP 33 HZ3 TRP 33 -0.428 -0.286 -7.919 152 HH2 TRP 33 HH2 TRP 33 -1.184 -1.697 -9.808 153 H LEU 34 H LEU 34 3.688 -6.121 -1.920 154 HA LEU 34 HA LEU 34 4.790 -3.949 -0.221 155 1HB LEU 34 1HB LEU 34 2.532 -4.742 0.698 156 2HB LEU 34 2HB LEU 34 3.244 -6.327 0.902 157 HG LEU 34 HG LEU 34 5.028 -5.214 2.382 158 1HD1 LEU 34 1HD1 LEU 34 4.560 -2.861 1.661 159 2HD1 LEU 34 2HD1 LEU 34 2.970 -2.973 2.433 160 3HD1 LEU 34 3HD1 LEU 34 4.450 -3.083 3.412 161 1HD2 LEU 34 1HD2 LEU 34 2.106 -5.118 3.266 162 2HD2 LEU 34 2HD2 LEU 34 3.157 -6.552 3.290 163 3HD2 LEU 34 3HD2 LEU 34 3.518 -5.176 4.345 164 H CYS 35 H CYS 35 6.888 -4.287 -0.478 165 HA CYS 35 HA CYS 35 8.839 -5.073 -1.059 166 1HB CYS 35 1HB CYS 35 8.865 -5.730 1.059 167 2HB CYS 35 2HB CYS 35 8.025 -7.231 0.818 168 H ASP 36 H ASP 36 7.742 -5.079 -3.149 169 HA ASP 36 HA ASP 36 7.341 -7.737 -4.477 170 1HB ASP 36 1HB ASP 36 5.802 -5.814 -4.971 171 2HB ASP 36 2HB ASP 36 7.168 -4.933 -5.637 172 H GLY 37 H GLY 37 9.795 -5.477 -3.760 173 1HA GLY 37 1HA GLY 37 12.114 -5.605 -4.310 174 2HA GLY 37 2HA GLY 37 11.725 -6.635 -5.702 175 H HIS 38 H HIS 38 9.619 -4.219 -5.486 176 HA HIS 38 HA HIS 38 10.842 -2.204 -7.245 177 1HB HIS 38 1HB HIS 38 10.025 -3.788 -8.814 178 2HB HIS 38 2HB HIS 38 8.590 -4.126 -7.884 179 HD1 HIS 38 HD1 HIS 38 9.858 -1.228 -10.158 180 HD2 HIS 38 HD2 HIS 38 6.496 -2.651 -8.048 181 HE1 HIS 38 HE1 HIS 38 7.893 0.356 -10.726 182 HE2 HIS 38 HE2 HIS 38 5.828 -0.556 -9.468 183 HA PRO 39 HA PRO 39 8.130 -0.090 -4.241 184 1HB PRO 39 1HB PRO 39 8.594 2.505 -5.213 185 2HB PRO 39 2HB PRO 39 9.327 1.677 -3.835 186 1HG PRO 39 1HG PRO 39 10.683 2.367 -6.299 187 2HG PRO 39 2HG PRO 39 11.321 1.404 -4.936 188 1HD PRO 39 1HD PRO 39 10.173 0.475 -7.525 189 2HD PRO 39 2HD PRO 39 11.331 -0.345 -6.448 190 H ASP 40 H ASP 40 6.120 0.916 -4.316 191 HA ASP 40 HA ASP 40 5.150 2.081 -6.863 192 1HB ASP 40 1HB ASP 40 4.650 -0.627 -6.495 193 2HB ASP 40 2HB ASP 40 3.190 0.094 -5.845 194 H CYS 41 H CYS 41 5.500 2.410 -3.676 195 HA CYS 41 HA CYS 41 2.816 2.804 -2.898 196 1HB CYS 41 1HB CYS 41 5.226 2.603 -1.552 197 2HB CYS 41 2HB CYS 41 4.434 4.040 -0.943 198 H ASP 42 H ASP 42 3.718 4.600 -4.903 199 HA ASP 42 HA ASP 42 4.360 6.643 -5.585 200 1HB ASP 42 1HB ASP 42 1.861 6.945 -5.303 201 2HB ASP 42 2HB ASP 42 2.184 7.742 -3.765 202 H ASP 43 H ASP 43 4.954 5.916 -2.554 203 HA ASP 43 HA ASP 43 7.159 7.846 -2.341 204 1HB ASP 43 1HB ASP 43 5.248 7.903 -0.595 205 2HB ASP 43 2HB ASP 43 5.950 6.404 -0.029 206 H GLY 44 H GLY 44 6.363 4.817 -3.065 207 1HA GLY 44 1HA GLY 44 7.557 2.737 -3.156 208 2HA GLY 44 2HA GLY 44 9.024 3.627 -2.815 209 H ARG 45 H ARG 45 6.417 3.680 -0.624 210 HA ARG 45 HA ARG 45 8.211 2.621 1.516 211 1HB ARG 45 1HB ARG 45 6.826 3.556 3.177 212 2HB ARG 45 2HB ARG 45 7.129 4.808 1.981 213 1HG ARG 45 1HG ARG 45 4.865 4.567 1.080 214 2HG ARG 45 2HG ARG 45 4.576 3.143 2.092 215 1HD ARG 45 1HD ARG 45 3.453 4.968 3.094 216 2HD ARG 45 2HD ARG 45 4.832 4.562 4.122 217 HE ARG 45 HE ARG 45 5.709 6.630 2.387 218 1HH1 ARG 45 1HH1 ARG 45 3.284 6.373 4.905 219 2HH1 ARG 45 2HH1 ARG 45 3.457 8.060 5.326 220 1HH2 ARG 45 2HH2 ARG 45 5.889 8.625 2.938 221 2HH2 ARG 45 1HH2 ARG 45 4.912 9.354 4.218 222 H ASP 46 H ASP 46 6.457 1.178 -0.693 223 HA ASP 46 HA ASP 46 5.224 -0.793 0.988 224 1HB ASP 46 1HB ASP 46 4.960 -1.971 -1.155 225 2HB ASP 46 2HB ASP 46 4.133 -0.419 -1.162 226 H GLU 47 H GLU 47 8.141 -0.022 -0.729 227 HA GLU 47 HA GLU 47 9.251 -2.679 -0.503 228 1HB GLU 47 1HB GLU 47 10.400 0.047 -1.161 229 2HB GLU 47 2HB GLU 47 11.406 -1.385 -1.130 230 1HG GLU 47 1HG GLU 47 8.846 -1.381 -2.741 231 2HG GLU 47 2HG GLU 47 10.293 -0.604 -3.344 232 H TRP 48 H TRP 48 9.285 0.177 1.357 233 HA TRP 48 HA TRP 48 11.750 0.013 2.616 234 1HB TRP 48 1HB TRP 48 9.287 1.364 3.720 235 2HB TRP 48 2HB TRP 48 10.933 1.595 4.282 236 HD1 TRP 48 HD1 TRP 48 11.189 1.628 0.607 237 HE1 TRP 48 HE1 TRP 48 10.797 3.925 -0.377 238 HE3 TRP 48 HE3 TRP 48 9.614 3.912 4.810 239 HZ2 TRP 48 HZ2 TRP 48 10.025 6.626 0.649 240 HZ3 TRP 48 HZ3 TRP 48 9.088 6.394 4.846 241 HH2 TRP 48 HH2 TRP 48 9.309 7.721 2.758 242 H GLY 49 H GLY 49 12.462 -1.404 3.650 243 1HA GLY 49 1HA GLY 49 13.066 -2.752 5.512 244 2HA GLY 49 2HA GLY 49 11.598 -2.196 6.326 245 H CYS 50 H CYS 50 10.671 -3.448 3.297 246 HA CYS 50 HA CYS 50 9.182 -5.002 2.856 247 1HB CYS 50 1HB CYS 50 11.414 -5.555 2.135 248 2HB CYS 50 2HB CYS 50 11.759 -6.328 3.652 249 H GLY 51 H GLY 51 8.983 -4.389 5.729 250 1HA GLY 51 1HA GLY 51 6.802 -6.056 6.489 251 2HA GLY 51 2HA GLY 51 8.242 -6.719 7.261 Start of MODEL 17 1 H SER 10 H SER 10 -6.051 -1.244 5.754 2 HA SER 10 HA SER 10 -7.905 -3.202 6.820 3 1HB SER 10 1HB SER 10 -8.059 -0.313 7.793 4 2HB SER 10 2HB SER 10 -9.456 -1.402 7.793 5 HG SER 10 HG SER 10 -7.028 -2.208 8.992 6 H CYS 11 H CYS 11 -8.272 -3.745 4.842 7 HA CYS 11 HA CYS 11 -9.983 -2.194 3.094 8 1HB CYS 11 1HB CYS 11 -7.258 -1.920 2.924 9 2HB CYS 11 2HB CYS 11 -7.459 -3.328 1.918 10 HA PRO 12 HA PRO 12 -10.895 -6.601 2.148 11 1HB PRO 12 1HB PRO 12 -9.387 -6.849 -0.440 12 2HB PRO 12 2HB PRO 12 -11.105 -7.229 -0.119 13 1HG PRO 12 1HG PRO 12 -10.394 -5.005 -1.526 14 2HG PRO 12 2HG PRO 12 -11.750 -4.970 -0.351 15 1HD PRO 12 1HD PRO 12 -8.888 -4.078 0.066 16 2HD PRO 12 2HD PRO 12 -10.405 -3.223 0.474 17 HA PRO 13 HA PRO 13 -7.202 -8.741 3.456 18 1HB PRO 13 1HB PRO 13 -7.518 -11.361 2.738 19 2HB PRO 13 2HB PRO 13 -8.521 -10.588 4.009 20 1HG PRO 13 1HG PRO 13 -9.187 -10.967 1.078 21 2HG PRO 13 2HG PRO 13 -10.205 -11.386 2.499 22 1HD PRO 13 1HD PRO 13 -10.539 -9.064 1.126 23 2HD PRO 13 2HD PRO 13 -10.716 -9.101 2.909 24 H GLY 14 H GLY 14 -5.284 -9.290 2.851 25 1HA GLY 14 1HA GLY 14 -3.384 -9.215 1.579 26 2HA GLY 14 2HA GLY 14 -4.305 -9.818 0.203 27 H GLN 15 H GLN 15 -5.264 -6.701 1.702 28 HA GLN 15 HA GLN 15 -3.867 -5.154 -0.351 29 1HB GLN 15 1HB GLN 15 -6.798 -5.435 -0.027 30 2HB GLN 15 2HB GLN 15 -6.197 -3.780 -0.188 31 1HG GLN 15 1HG GLN 15 -5.233 -4.154 -2.293 32 2HG GLN 15 2HG GLN 15 -5.196 -5.909 -2.086 33 1HE2 GLN 15 2HE2 GLN 15 -7.256 -7.072 -2.026 34 2HE2 GLN 15 1HE2 GLN 15 -8.503 -6.471 -3.117 35 H PHE 16 H PHE 16 -2.964 -3.481 0.450 36 HA PHE 16 HA PHE 16 -3.840 -2.259 3.079 37 1HB PHE 16 1HB PHE 16 -1.656 -2.053 3.886 38 2HB PHE 16 2HB PHE 16 -1.687 -3.670 3.223 39 HD1 PHE 16 HD1 PHE 16 -0.827 -3.908 0.763 40 HD2 PHE 16 HD2 PHE 16 0.032 -0.506 3.228 41 HE1 PHE 16 HE1 PHE 16 1.036 -3.304 -0.743 42 HE2 PHE 16 HE2 PHE 16 1.830 0.174 1.675 43 HZ PHE 16 HZ PHE 16 2.329 -1.277 -0.364 44 H ARG 17 H ARG 17 -3.257 0.050 3.381 45 HA ARG 17 HA ARG 17 -3.023 1.543 0.807 46 1HB ARG 17 1HB ARG 17 -3.876 3.475 1.919 47 2HB ARG 17 2HB ARG 17 -4.986 2.092 2.048 48 1HG ARG 17 1HG ARG 17 -4.275 1.737 4.404 49 2HG ARG 17 2HG ARG 17 -3.166 3.106 4.276 50 1HD ARG 17 1HD ARG 17 -5.224 3.785 5.422 51 2HD ARG 17 2HD ARG 17 -5.014 4.652 3.904 52 HE ARG 17 HE ARG 17 -7.012 3.795 3.150 53 1HH1 ARG 17 1HH1 ARG 17 -6.135 1.673 5.824 54 2HH1 ARG 17 2HH1 ARG 17 -7.609 0.741 5.561 55 1HH2 ARG 17 2HH2 ARG 17 -8.760 2.581 2.982 56 2HH2 ARG 17 1HH2 ARG 17 -8.972 1.166 4.016 57 H CYS 18 H CYS 18 -1.601 3.055 0.452 58 HA CYS 18 HA CYS 18 1.023 2.595 1.656 59 1HB CYS 18 1HB CYS 18 -0.083 3.887 -0.822 60 2HB CYS 18 2HB CYS 18 1.553 4.282 -0.307 61 H SER 19 H SER 19 0.142 5.604 0.423 62 HA SER 19 HA SER 19 1.547 6.928 2.692 63 1HB SER 19 1HB SER 19 1.467 7.758 -0.234 64 2HB SER 19 2HB SER 19 2.458 8.500 1.039 65 HG SER 19 HG SER 19 2.969 6.322 -0.446 66 H GLU 20 H GLU 20 -1.108 6.584 2.700 67 HA GLU 20 HA GLU 20 -1.965 9.327 3.457 68 1HB GLU 20 1HB GLU 20 -2.889 8.888 1.250 69 2HB GLU 20 2HB GLU 20 -3.708 7.444 1.847 70 1HG GLU 20 1HG GLU 20 -5.123 8.787 3.319 71 2HG GLU 20 2HG GLU 20 -4.169 10.234 2.988 72 HA PRO 21 HA PRO 21 -2.734 6.762 7.097 73 1HB PRO 21 1HB PRO 21 -3.432 8.727 8.885 74 2HB PRO 21 2HB PRO 21 -1.766 8.532 8.262 75 1HG PRO 21 1HG PRO 21 -3.931 10.406 7.243 76 2HG PRO 21 2HG PRO 21 -2.242 10.813 7.695 77 1HD PRO 21 1HD PRO 21 -2.947 10.331 5.115 78 2HD PRO 21 2HD PRO 21 -1.376 9.768 5.761 79 HA PRO 22 HA PRO 22 -7.146 6.106 7.391 80 1HB PRO 22 1HB PRO 22 -7.621 5.505 10.032 81 2HB PRO 22 2HB PRO 22 -6.774 4.408 8.899 82 1HG PRO 22 1HG PRO 22 -5.540 6.377 10.854 83 2HG PRO 22 2HG PRO 22 -5.168 4.637 10.637 84 1HD PRO 22 1HD PRO 22 -3.657 6.552 9.458 85 2HD PRO 22 2HD PRO 22 -4.046 5.047 8.578 86 H GLY 23 H GLY 23 -9.124 6.802 8.625 87 1HA GLY 23 1HA GLY 23 -10.606 8.574 9.059 88 2HA GLY 23 2HA GLY 23 -9.241 9.629 9.418 89 H ALA 24 H ALA 24 -8.142 8.619 6.680 90 HA ALA 24 HA ALA 24 -9.978 9.906 4.736 91 1HB ALA 24 1HB ALA 24 -7.994 10.776 3.532 92 2HB ALA 24 2HB ALA 24 -8.135 11.474 5.158 93 3HB ALA 24 3HB ALA 24 -6.942 10.195 4.842 94 H HIS 25 H HIS 25 -10.765 7.727 4.613 95 HA HIS 25 HA HIS 25 -9.407 5.406 4.557 96 1HB HIS 25 1HB HIS 25 -12.006 6.024 3.088 97 2HB HIS 25 2HB HIS 25 -11.476 4.452 3.649 98 HD1 HIS 25 HD1 HIS 25 -13.694 7.122 4.733 99 HD2 HIS 25 HD2 HIS 25 -10.923 4.489 6.554 100 HE1 HIS 25 HE1 HIS 25 -14.275 7.067 7.242 101 HE2 HIS 25 HE2 HIS 25 -12.598 5.457 8.348 102 H GLY 26 H GLY 26 -10.109 7.232 1.728 103 1HA GLY 26 1HA GLY 26 -9.357 7.142 -0.511 104 2HA GLY 26 2HA GLY 26 -7.867 6.543 0.213 105 H GLU 27 H GLU 27 -7.253 5.018 -1.165 106 HA GLU 27 HA GLU 27 -8.575 2.471 -1.165 107 1HB GLU 27 1HB GLU 27 -8.488 2.100 -3.552 108 2HB GLU 27 2HB GLU 27 -9.562 3.442 -3.231 109 1HG GLU 27 1HG GLU 27 -6.669 3.750 -4.165 110 2HG GLU 27 2HG GLU 27 -8.051 3.667 -5.243 111 H CYS 28 H CYS 28 -7.265 0.926 -2.102 112 HA CYS 28 HA CYS 28 -4.636 1.086 -0.820 113 1HB CYS 28 1HB CYS 28 -6.670 -1.125 -1.271 114 2HB CYS 28 2HB CYS 28 -5.313 -1.205 -0.222 115 H TYR 29 H TYR 29 -3.530 -1.203 -1.356 116 HA TYR 29 HA TYR 29 -3.406 -1.829 -4.218 117 1HB TYR 29 1HB TYR 29 -0.960 -1.009 -2.580 118 2HB TYR 29 2HB TYR 29 -0.896 -1.618 -4.214 119 HD1 TYR 29 HD1 TYR 29 -1.320 1.276 -2.070 120 HD2 TYR 29 HD2 TYR 29 -1.740 -0.116 -6.140 121 HE1 TYR 29 HE1 TYR 29 -1.456 3.636 -2.883 122 HE2 TYR 29 HE2 TYR 29 -1.864 2.221 -6.928 123 HH TYR 29 HH TYR 29 -1.850 4.432 -6.347 124 HA PRO 30 HA PRO 30 -3.001 -5.887 -2.510 125 1HB PRO 30 1HB PRO 30 -0.814 -6.525 -4.424 126 2HB PRO 30 2HB PRO 30 -2.362 -7.376 -4.159 127 1HG PRO 30 1HG PRO 30 -1.964 -5.819 -6.376 128 2HG PRO 30 2HG PRO 30 -3.542 -5.813 -5.519 129 1HD PRO 30 1HD PRO 30 -1.270 -3.826 -5.278 130 2HD PRO 30 2HD PRO 30 -3.018 -3.514 -5.477 131 H GLN 31 H GLN 31 -1.766 -7.013 -1.053 132 HA GLN 31 HA GLN 31 0.813 -5.876 -0.144 133 1HB GLN 31 1HB GLN 31 -0.728 -8.370 0.742 134 2HB GLN 31 2HB GLN 31 0.735 -7.776 1.526 135 1HG GLN 31 1HG GLN 31 -0.362 -5.728 2.220 136 2HG GLN 31 2HG GLN 31 -1.831 -6.147 1.334 137 1HE2 GLN 31 2HE2 GLN 31 -3.157 -6.037 3.309 138 2HE2 GLN 31 1HE2 GLN 31 -2.979 -7.318 4.497 139 H ASP 32 H ASP 32 -0.014 -7.874 -2.641 140 HA ASP 32 HA ASP 32 2.467 -9.313 -2.935 141 1HB ASP 32 1HB ASP 32 0.216 -9.458 -4.272 142 2HB ASP 32 2HB ASP 32 0.756 -8.036 -5.117 143 H TRP 33 H TRP 33 1.333 -6.151 -3.436 144 HA TRP 33 HA TRP 33 3.929 -5.021 -4.213 145 1HB TRP 33 1HB TRP 33 1.323 -3.541 -4.006 146 2HB TRP 33 2HB TRP 33 2.828 -2.992 -4.686 147 HD1 TRP 33 HD1 TRP 33 2.201 -6.331 -6.156 148 HE1 TRP 33 HE1 TRP 33 0.983 -6.195 -8.399 149 HE3 TRP 33 HE3 TRP 33 0.936 -1.365 -6.088 150 HZ2 TRP 33 HZ2 TRP 33 -0.501 -4.242 -9.901 151 HZ3 TRP 33 HZ3 TRP 33 -0.374 -0.392 -7.972 152 HH2 TRP 33 HH2 TRP 33 -1.149 -1.826 -9.838 153 H LEU 34 H LEU 34 3.750 -6.138 -1.902 154 HA LEU 34 HA LEU 34 4.847 -3.940 -0.238 155 1HB LEU 34 1HB LEU 34 2.584 -4.714 0.680 156 2HB LEU 34 2HB LEU 34 3.296 -6.292 0.927 157 HG LEU 34 HG LEU 34 5.051 -5.169 2.413 158 1HD1 LEU 34 1HD1 LEU 34 3.043 -2.883 2.367 159 2HD1 LEU 34 2HD1 LEU 34 4.502 -2.998 3.374 160 3HD1 LEU 34 3HD1 LEU 34 4.645 -2.827 1.620 161 1HD2 LEU 34 1HD2 LEU 34 3.509 -5.033 4.345 162 2HD2 LEU 34 2HD2 LEU 34 2.116 -4.962 3.242 163 3HD2 LEU 34 3HD2 LEU 34 3.123 -6.429 3.327 164 H CYS 35 H CYS 35 6.953 -4.284 -0.480 165 HA CYS 35 HA CYS 35 8.885 -5.076 -1.099 166 1HB CYS 35 1HB CYS 35 8.985 -5.713 1.009 167 2HB CYS 35 2HB CYS 35 8.102 -7.205 0.820 168 H ASP 36 H ASP 36 7.796 -5.080 -3.167 169 HA ASP 36 HA ASP 36 7.411 -7.738 -4.501 170 1HB ASP 36 1HB ASP 36 5.854 -5.831 -4.995 171 2HB ASP 36 2HB ASP 36 7.214 -4.933 -5.654 172 H GLY 37 H GLY 37 9.841 -5.437 -3.792 173 1HA GLY 37 1HA GLY 37 12.163 -5.551 -4.348 174 2HA GLY 37 2HA GLY 37 11.775 -6.582 -5.740 175 H HIS 38 H HIS 38 9.654 -4.172 -5.504 176 HA HIS 38 HA HIS 38 10.858 -2.153 -7.272 177 1HB HIS 38 1HB HIS 38 10.038 -3.739 -8.837 178 2HB HIS 38 2HB HIS 38 8.618 -4.096 -7.893 179 HD1 HIS 38 HD1 HIS 38 9.817 -1.198 -10.199 180 HD2 HIS 38 HD2 HIS 38 6.507 -2.641 -8.021 181 HE1 HIS 38 HE1 HIS 38 7.826 0.358 -10.746 182 HE2 HIS 38 HE2 HIS 38 5.790 -0.567 -9.445 183 HA PRO 39 HA PRO 39 8.168 -0.031 -4.262 184 1HB PRO 39 1HB PRO 39 8.543 2.560 -5.237 185 2HB PRO 39 2HB PRO 39 9.398 1.740 -3.929 186 1HG PRO 39 1HG PRO 39 10.472 2.443 -6.559 187 2HG PRO 39 2HG PRO 39 11.318 1.652 -5.199 188 1HD PRO 39 1HD PRO 39 10.146 0.448 -7.632 189 2HD PRO 39 2HD PRO 39 11.327 -0.251 -6.499 190 H ASP 40 H ASP 40 6.133 0.943 -4.317 191 HA ASP 40 HA ASP 40 5.124 2.086 -6.860 192 1HB ASP 40 1HB ASP 40 4.609 -0.619 -6.425 193 2HB ASP 40 2HB ASP 40 3.162 0.136 -5.787 194 H CYS 41 H CYS 41 5.537 2.449 -3.679 195 HA CYS 41 HA CYS 41 2.859 2.854 -2.874 196 1HB CYS 41 1HB CYS 41 5.279 2.615 -1.551 197 2HB CYS 41 2HB CYS 41 4.509 4.057 -0.925 198 H ASP 42 H ASP 42 3.777 4.662 -4.869 199 HA ASP 42 HA ASP 42 4.393 6.723 -5.521 200 1HB ASP 42 1HB ASP 42 1.896 7.003 -5.213 201 2HB ASP 42 2HB ASP 42 2.222 7.760 -3.655 202 H ASP 43 H ASP 43 5.031 5.943 -2.508 203 HA ASP 43 HA ASP 43 7.260 7.846 -2.369 204 1HB ASP 43 1HB ASP 43 5.385 7.962 -0.562 205 2HB ASP 43 2HB ASP 43 6.149 6.507 0.046 206 H GLY 44 H GLY 44 6.422 4.843 -3.050 207 1HA GLY 44 1HA GLY 44 7.604 2.751 -3.153 208 2HA GLY 44 2HA GLY 44 9.079 3.633 -2.812 209 H ARG 45 H ARG 45 6.472 3.700 -0.616 210 HA ARG 45 HA ARG 45 8.257 2.613 1.519 211 1HB ARG 45 1HB ARG 45 6.861 3.539 3.187 212 2HB ARG 45 2HB ARG 45 7.212 4.798 2.012 213 1HG ARG 45 1HG ARG 45 4.961 4.614 1.070 214 2HG ARG 45 2HG ARG 45 4.616 3.200 2.080 215 1HD ARG 45 1HD ARG 45 3.534 5.098 3.041 216 2HD ARG 45 2HD ARG 45 4.858 4.606 4.109 217 HE ARG 45 HE ARG 45 5.774 6.656 2.304 218 1HH1 ARG 45 1HH2 ARG 45 3.613 6.429 5.046 219 2HH1 ARG 45 2HH2 ARG 45 3.876 8.101 5.481 220 1HH2 ARG 45 1HH1 ARG 45 6.120 8.652 2.914 221 2HH2 ARG 45 2HH1 ARG 45 5.268 9.364 4.282 222 H ASP 46 H ASP 46 6.497 1.195 -0.701 223 HA ASP 46 HA ASP 46 5.253 -0.774 0.974 224 1HB ASP 46 1HB ASP 46 4.983 -1.953 -1.165 225 2HB ASP 46 2HB ASP 46 4.171 -0.396 -1.178 226 H GLU 47 H GLU 47 8.177 -0.009 -0.740 227 HA GLU 47 HA GLU 47 9.282 -2.668 -0.545 228 1HB GLU 47 1HB GLU 47 10.433 0.064 -1.174 229 2HB GLU 47 2HB GLU 47 11.438 -1.367 -1.163 230 1HG GLU 47 1HG GLU 47 8.874 -1.344 -2.768 231 2HG GLU 47 2HG GLU 47 10.323 -0.567 -3.369 232 H TRP 48 H TRP 48 9.322 0.160 1.347 233 HA TRP 48 HA TRP 48 11.789 -0.019 2.593 234 1HB TRP 48 1HB TRP 48 9.327 1.318 3.716 235 2HB TRP 48 2HB TRP 48 10.972 1.543 4.283 236 HD1 TRP 48 HD1 TRP 48 11.238 1.615 0.611 237 HE1 TRP 48 HE1 TRP 48 10.853 3.925 -0.351 238 HE3 TRP 48 HE3 TRP 48 9.640 3.859 4.829 239 HZ2 TRP 48 HZ2 TRP 48 10.112 6.616 0.702 240 HZ3 TRP 48 HZ3 TRP 48 9.119 6.341 4.887 241 HH2 TRP 48 HH2 TRP 48 9.371 7.691 2.818 242 H GLY 49 H GLY 49 12.510 -1.442 3.600 243 1HA GLY 49 1HA GLY 49 13.150 -2.777 5.455 244 2HA GLY 49 2HA GLY 49 11.683 -2.243 6.283 245 H CYS 50 H CYS 50 10.780 -3.513 3.241 246 HA CYS 50 HA CYS 50 9.259 -5.110 2.863 247 1HB CYS 50 1HB CYS 50 11.496 -5.602 2.061 248 2HB CYS 50 2HB CYS 50 11.899 -6.385 3.559 249 H GLY 51 H GLY 51 8.852 -4.369 5.492 250 1HA GLY 51 1HA GLY 51 7.423 -6.738 6.623 251 2HA GLY 51 2HA GLY 51 8.638 -5.963 7.639 Start of MODEL 18 1 H SER 10 H SER 10 -5.932 -1.071 5.798 2 HA SER 10 HA SER 10 -7.765 -3.142 6.766 3 1HB SER 10 1HB SER 10 -8.069 -0.249 7.707 4 2HB SER 10 2HB SER 10 -9.240 -1.552 7.961 5 HG SER 10 HG SER 10 -7.541 -2.662 9.145 6 H CYS 11 H CYS 11 -8.100 -3.622 4.788 7 HA CYS 11 HA CYS 11 -9.923 -2.095 3.122 8 1HB CYS 11 1HB CYS 11 -7.214 -1.781 2.851 9 2HB CYS 11 2HB CYS 11 -7.431 -3.194 1.853 10 HA PRO 12 HA PRO 12 -10.942 -6.427 2.263 11 1HB PRO 12 1HB PRO 12 -9.708 -6.756 -0.452 12 2HB PRO 12 2HB PRO 12 -11.401 -7.042 0.038 13 1HG PRO 12 1HG PRO 12 -10.686 -4.853 -1.445 14 2HG PRO 12 2HG PRO 12 -11.944 -4.753 -0.170 15 1HD PRO 12 1HD PRO 12 -9.023 -3.982 0.016 16 2HD PRO 12 2HD PRO 12 -10.468 -3.077 0.557 17 HA PRO 13 HA PRO 13 -7.376 -8.850 3.335 18 1HB PRO 13 1HB PRO 13 -8.495 -11.071 1.582 19 2HB PRO 13 2HB PRO 13 -7.825 -11.191 3.243 20 1HG PRO 13 1HG PRO 13 -10.497 -11.152 2.899 21 2HG PRO 13 2HG PRO 13 -9.748 -10.127 4.172 22 1HD PRO 13 1HD PRO 13 -10.677 -9.291 1.405 23 2HD PRO 13 2HD PRO 13 -10.943 -8.489 2.988 24 H GLY 14 H GLY 14 -5.465 -9.255 2.794 25 1HA GLY 14 1HA GLY 14 -3.485 -9.140 1.631 26 2HA GLY 14 2HA GLY 14 -4.331 -9.765 0.216 27 H GLN 15 H GLN 15 -5.394 -6.660 1.637 28 HA GLN 15 HA GLN 15 -3.869 -5.125 -0.348 29 1HB GLN 15 1HB GLN 15 -6.834 -5.211 -0.041 30 2HB GLN 15 2HB GLN 15 -6.070 -3.662 -0.396 31 1HG GLN 15 1HG GLN 15 -5.253 -4.326 -2.461 32 2HG GLN 15 2HG GLN 15 -5.205 -6.038 -2.032 33 1HE2 GLN 15 2HE2 GLN 15 -7.336 -7.128 -1.643 34 2HE2 GLN 15 1HE2 GLN 15 -8.543 -6.733 -2.863 35 H PHE 16 H PHE 16 -2.987 -3.461 0.449 36 HA PHE 16 HA PHE 16 -3.867 -2.216 3.065 37 1HB PHE 16 1HB PHE 16 -1.684 -2.015 3.879 38 2HB PHE 16 2HB PHE 16 -1.717 -3.634 3.221 39 HD1 PHE 16 HD1 PHE 16 -0.840 -3.889 0.777 40 HD2 PHE 16 HD2 PHE 16 0.006 -0.469 3.218 41 HE1 PHE 16 HE1 PHE 16 1.027 -3.296 -0.728 42 HE2 PHE 16 HE2 PHE 16 1.809 0.202 1.664 43 HZ PHE 16 HZ PHE 16 2.313 -1.263 -0.362 44 H ARG 17 H ARG 17 -3.199 0.097 3.360 45 HA ARG 17 HA ARG 17 -2.983 1.558 0.764 46 1HB ARG 17 1HB ARG 17 -3.855 3.495 1.835 47 2HB ARG 17 2HB ARG 17 -4.953 2.107 2.004 48 1HG ARG 17 1HG ARG 17 -4.218 1.816 4.364 49 2HG ARG 17 2HG ARG 17 -3.130 3.200 4.195 50 1HD ARG 17 1HD ARG 17 -5.192 3.876 5.333 51 2HD ARG 17 2HD ARG 17 -5.015 4.702 3.790 52 HE ARG 17 HE ARG 17 -6.969 3.724 3.036 53 1HH1 ARG 17 1HH2 ARG 17 -6.081 1.850 5.883 54 2HH1 ARG 17 2HH2 ARG 17 -7.532 0.868 5.693 55 1HH2 ARG 17 2HH1 ARG 17 -8.681 2.438 2.932 56 2HH2 ARG 17 1HH1 ARG 17 -8.864 1.104 4.075 57 H CYS 18 H CYS 18 -1.588 3.098 0.408 58 HA CYS 18 HA CYS 18 1.045 2.685 1.622 59 1HB CYS 18 1HB CYS 18 -0.066 3.929 -0.881 60 2HB CYS 18 2HB CYS 18 1.568 4.326 -0.367 61 H SER 19 H SER 19 0.134 5.655 0.318 62 HA SER 19 HA SER 19 1.500 7.052 2.567 63 1HB SER 19 1HB SER 19 1.423 7.805 -0.380 64 2HB SER 19 2HB SER 19 2.381 8.611 0.880 65 HG SER 19 HG SER 19 2.964 6.400 -0.534 66 H GLU 20 H GLU 20 -1.138 6.659 2.594 67 HA GLU 20 HA GLU 20 -2.027 9.393 3.326 68 1HB GLU 20 1HB GLU 20 -3.007 8.911 1.155 69 2HB GLU 20 2HB GLU 20 -3.771 7.452 1.786 70 1HG GLU 20 1HG GLU 20 -5.186 8.769 3.279 71 2HG GLU 20 2HG GLU 20 -4.274 10.237 2.917 72 HA PRO 21 HA PRO 21 -2.543 6.897 7.028 73 1HB PRO 21 1HB PRO 21 -3.352 8.843 8.796 74 2HB PRO 21 2HB PRO 21 -1.694 8.762 8.129 75 1HG PRO 21 1HG PRO 21 -4.029 10.433 7.129 76 2HG PRO 21 2HG PRO 21 -2.366 10.984 7.523 77 1HD PRO 21 1HD PRO 21 -3.084 10.386 4.974 78 2HD PRO 21 2HD PRO 21 -1.467 9.943 5.597 79 HA PRO 22 HA PRO 22 -6.869 5.879 7.529 80 1HB PRO 22 1HB PRO 22 -7.172 5.287 10.195 81 2HB PRO 22 2HB PRO 22 -6.282 4.246 9.043 82 1HG PRO 22 1HG PRO 22 -5.141 6.352 10.908 83 2HG PRO 22 2HG PRO 22 -4.630 4.647 10.704 84 1HD PRO 22 1HD PRO 22 -3.342 6.660 9.425 85 2HD PRO 22 2HD PRO 22 -3.636 5.107 8.592 86 H GLY 23 H GLY 23 -8.841 6.436 8.848 87 1HA GLY 23 1HA GLY 23 -10.441 8.090 9.308 88 2HA GLY 23 2HA GLY 23 -9.150 9.246 9.636 89 H ALA 24 H ALA 24 -8.169 8.183 6.814 90 HA ALA 24 HA ALA 24 -10.105 9.466 4.975 91 1HB ALA 24 1HB ALA 24 -8.218 10.497 3.735 92 2HB ALA 24 2HB ALA 24 -8.348 11.137 5.386 93 3HB ALA 24 3HB ALA 24 -7.088 9.948 4.991 94 H HIS 25 H HIS 25 -10.772 7.259 4.727 95 HA HIS 25 HA HIS 25 -9.246 5.027 4.458 96 1HB HIS 25 1HB HIS 25 -11.996 5.701 3.330 97 2HB HIS 25 2HB HIS 25 -11.332 4.086 3.361 98 HD1 HIS 25 HD1 HIS 25 -10.570 3.247 6.020 99 HD2 HIS 25 HD2 HIS 25 -13.490 6.252 5.413 100 HE1 HIS 25 HE1 HIS 25 -11.939 3.394 8.199 101 HE2 HIS 25 HE2 HIS 25 -13.707 5.228 7.825 102 H GLY 26 H GLY 26 -10.036 7.120 1.851 103 1HA GLY 26 1HA GLY 26 -9.317 7.229 -0.416 104 2HA GLY 26 2HA GLY 26 -7.827 6.579 0.252 105 H GLU 27 H GLU 27 -7.165 5.100 -1.117 106 HA GLU 27 HA GLU 27 -8.538 2.595 -1.337 107 1HB GLU 27 1HB GLU 27 -8.351 2.346 -3.746 108 2HB GLU 27 2HB GLU 27 -9.377 3.730 -3.395 109 1HG GLU 27 1HG GLU 27 -7.421 5.254 -3.833 110 2HG GLU 27 2HG GLU 27 -6.451 3.842 -4.256 111 H CYS 28 H CYS 28 -7.232 1.043 -2.189 112 HA CYS 28 HA CYS 28 -4.620 1.133 -0.865 113 1HB CYS 28 1HB CYS 28 -6.705 -1.025 -1.334 114 2HB CYS 28 2HB CYS 28 -5.369 -1.127 -0.259 115 H TYR 29 H TYR 29 -3.561 -1.186 -1.378 116 HA TYR 29 HA TYR 29 -3.417 -1.837 -4.232 117 1HB TYR 29 1HB TYR 29 -0.973 -1.025 -2.585 118 2HB TYR 29 2HB TYR 29 -0.907 -1.639 -4.218 119 HD1 TYR 29 HD1 TYR 29 -1.747 -0.129 -6.151 120 HD2 TYR 29 HD2 TYR 29 -1.297 1.259 -2.084 121 HE1 TYR 29 HE1 TYR 29 -1.852 2.219 -6.934 122 HE2 TYR 29 HE2 TYR 29 -1.423 3.615 -2.884 123 HH TYR 29 HH TYR 29 -1.660 4.999 -4.686 124 HA PRO 30 HA PRO 30 -3.030 -5.884 -2.492 125 1HB PRO 30 1HB PRO 30 -0.836 -6.538 -4.393 126 2HB PRO 30 2HB PRO 30 -2.385 -7.387 -4.122 127 1HG PRO 30 1HG PRO 30 -1.984 -5.849 -6.353 128 2HG PRO 30 2HG PRO 30 -3.563 -5.837 -5.497 129 1HD PRO 30 1HD PRO 30 -1.292 -3.846 -5.273 130 2HD PRO 30 2HD PRO 30 -3.038 -3.536 -5.475 131 H GLN 31 H GLN 31 -1.789 -7.001 -1.019 132 HA GLN 31 HA GLN 31 0.789 -5.866 -0.116 133 1HB GLN 31 1HB GLN 31 -0.788 -8.338 0.787 134 2HB GLN 31 2HB GLN 31 0.692 -7.765 1.563 135 1HG GLN 31 1HG GLN 31 -0.372 -5.693 2.243 136 2HG GLN 31 2HG GLN 31 -1.853 -6.105 1.373 137 1HE2 GLN 31 1HE2 GLN 31 -3.225 -6.054 3.289 138 2HE2 GLN 31 2HE2 GLN 31 -3.015 -7.292 4.517 139 H ASP 32 H ASP 32 -0.042 -7.868 -2.606 140 HA ASP 32 HA ASP 32 2.436 -9.313 -2.890 141 1HB ASP 32 1HB ASP 32 0.184 -9.461 -4.229 142 2HB ASP 32 2HB ASP 32 0.734 -8.049 -5.084 143 H TRP 33 H TRP 33 1.306 -6.152 -3.413 144 HA TRP 33 HA TRP 33 3.906 -5.029 -4.189 145 1HB TRP 33 1HB TRP 33 1.297 -3.549 -3.993 146 2HB TRP 33 2HB TRP 33 2.804 -2.996 -4.668 147 HD1 TRP 33 HD1 TRP 33 2.194 -6.337 -6.132 148 HE1 TRP 33 HE1 TRP 33 0.980 -6.213 -8.379 149 HE3 TRP 33 HE3 TRP 33 0.921 -1.376 -6.086 150 HZ2 TRP 33 HZ2 TRP 33 -0.506 -4.268 -9.892 151 HZ3 TRP 33 HZ3 TRP 33 -0.381 -0.408 -7.980 152 HH2 TRP 33 HH2 TRP 33 -1.155 -1.852 -9.838 153 H LEU 34 H LEU 34 3.717 -6.138 -1.874 154 HA LEU 34 HA LEU 34 4.815 -3.931 -0.219 155 1HB LEU 34 1HB LEU 34 2.554 -4.705 0.708 156 2HB LEU 34 2HB LEU 34 3.269 -6.284 0.953 157 HG LEU 34 HG LEU 34 5.035 -5.144 2.425 158 1HD1 LEU 34 1HD1 LEU 34 4.590 -2.805 1.639 159 2HD1 LEU 34 2HD1 LEU 34 2.995 -2.885 2.400 160 3HD1 LEU 34 3HD1 LEU 34 4.465 -2.982 3.394 161 1HD2 LEU 34 1HD2 LEU 34 3.508 -5.040 4.370 162 2HD2 LEU 34 2HD2 LEU 34 2.106 -4.987 3.278 163 3HD2 LEU 34 3HD2 LEU 34 3.134 -6.437 3.349 164 H CYS 35 H CYS 35 6.913 -4.274 -0.465 165 HA CYS 35 HA CYS 35 8.864 -5.073 -1.038 166 1HB CYS 35 1HB CYS 35 8.890 -5.713 1.083 167 2HB CYS 35 2HB CYS 35 8.034 -7.209 0.858 168 H ASP 36 H ASP 36 7.775 -5.085 -3.130 169 HA ASP 36 HA ASP 36 7.386 -7.744 -4.454 170 1HB ASP 36 1HB ASP 36 5.850 -5.829 -4.968 171 2HB ASP 36 2HB ASP 36 7.223 -4.938 -5.609 172 H GLY 37 H GLY 37 9.830 -5.472 -3.725 173 1HA GLY 37 1HA GLY 37 12.155 -5.605 -4.245 174 2HA GLY 37 2HA GLY 37 11.782 -6.640 -5.638 175 H HIS 38 H HIS 38 9.675 -4.210 -5.452 176 HA HIS 38 HA HIS 38 10.929 -2.198 -7.185 177 1HB HIS 38 1HB HIS 38 10.159 -3.772 -8.782 178 2HB HIS 38 2HB HIS 38 8.718 -4.150 -7.879 179 HD1 HIS 38 HD1 HIS 38 9.940 -1.222 -10.135 180 HD2 HIS 38 HD2 HIS 38 6.601 -2.719 -8.040 181 HE1 HIS 38 HE1 HIS 38 7.945 0.322 -10.704 182 HE2 HIS 38 HE2 HIS 38 5.890 -0.644 -9.463 183 HA PRO 39 HA PRO 39 8.177 -0.049 -4.271 184 1HB PRO 39 1HB PRO 39 8.511 2.532 -5.233 185 2HB PRO 39 2HB PRO 39 9.445 1.714 -3.980 186 1HG PRO 39 1HG PRO 39 10.271 2.378 -6.749 187 2HG PRO 39 2HG PRO 39 11.293 1.823 -5.393 188 1HD PRO 39 1HD PRO 39 10.254 0.297 -7.649 189 2HD PRO 39 2HD PRO 39 11.355 -0.262 -6.373 190 H ASP 40 H ASP 40 6.135 0.908 -4.336 191 HA ASP 40 HA ASP 40 5.139 2.042 -6.885 192 1HB ASP 40 1HB ASP 40 4.592 -0.667 -6.408 193 2HB ASP 40 2HB ASP 40 3.134 0.130 -5.852 194 H CYS 41 H CYS 41 5.549 2.427 -3.711 195 HA CYS 41 HA CYS 41 2.871 2.860 -2.916 196 1HB CYS 41 1HB CYS 41 5.289 2.617 -1.588 197 2HB CYS 41 2HB CYS 41 4.530 4.072 -0.979 198 H ASP 42 H ASP 42 3.805 4.635 -4.931 199 HA ASP 42 HA ASP 42 4.440 6.681 -5.610 200 1HB ASP 42 1HB ASP 42 1.947 6.991 -5.313 201 2HB ASP 42 2HB ASP 42 2.276 7.760 -3.761 202 H ASP 43 H ASP 43 5.065 5.940 -2.582 203 HA ASP 43 HA ASP 43 7.310 7.826 -2.473 204 1HB ASP 43 1HB ASP 43 5.432 7.969 -0.658 205 2HB ASP 43 2HB ASP 43 6.212 6.531 -0.029 206 H GLY 44 H GLY 44 6.449 4.818 -3.108 207 1HA GLY 44 1HA GLY 44 7.616 2.716 -3.177 208 2HA GLY 44 2HA GLY 44 9.096 3.593 -2.849 209 H ARG 45 H ARG 45 6.481 3.709 -0.665 210 HA ARG 45 HA ARG 45 8.244 2.640 1.494 211 1HB ARG 45 1HB ARG 45 6.843 3.593 3.144 212 2HB ARG 45 2HB ARG 45 7.230 4.833 1.960 213 1HG ARG 45 1HG ARG 45 4.985 4.696 1.002 214 2HG ARG 45 2HG ARG 45 4.600 3.289 2.010 215 1HD ARG 45 1HD ARG 45 3.558 5.248 2.943 216 2HD ARG 45 2HD ARG 45 4.825 4.668 4.037 217 HE ARG 45 HE ARG 45 5.763 6.744 2.202 218 1HH1 ARG 45 2HH1 ARG 45 4.008 6.409 5.213 219 2HH1 ARG 45 1HH1 ARG 45 4.490 7.998 5.754 220 1HH2 ARG 45 1HH2 ARG 45 6.378 8.639 2.935 221 2HH2 ARG 45 2HH2 ARG 45 5.800 9.267 4.477 222 H ASP 46 H ASP 46 6.493 1.202 -0.716 223 HA ASP 46 HA ASP 46 5.236 -0.743 0.978 224 1HB ASP 46 1HB ASP 46 4.963 -1.942 -1.150 225 2HB ASP 46 2HB ASP 46 4.161 -0.380 -1.180 226 H GLU 47 H GLU 47 8.165 -0.012 -0.735 227 HA GLU 47 HA GLU 47 9.267 -2.668 -0.500 228 1HB GLU 47 1HB GLU 47 10.425 0.054 -1.164 229 2HB GLU 47 2HB GLU 47 11.423 -1.379 -1.134 230 1HG GLU 47 1HG GLU 47 8.864 -1.363 -2.749 231 2HG GLU 47 2HG GLU 47 10.319 -0.601 -3.353 232 H TRP 48 H TRP 48 9.310 0.197 1.343 233 HA TRP 48 HA TRP 48 11.770 0.025 2.617 234 1HB TRP 48 1HB TRP 48 9.306 1.401 3.692 235 2HB TRP 48 2HB TRP 48 10.949 1.623 4.270 236 HD1 TRP 48 HD1 TRP 48 11.245 1.628 0.598 237 HE1 TRP 48 HE1 TRP 48 10.891 3.927 -0.405 238 HE3 TRP 48 HE3 TRP 48 9.631 3.956 4.764 239 HZ2 TRP 48 HZ2 TRP 48 10.169 6.640 0.597 240 HZ3 TRP 48 HZ3 TRP 48 9.136 6.446 4.776 241 HH2 TRP 48 HH2 TRP 48 9.423 7.759 2.689 242 H GLY 49 H GLY 49 12.468 -1.383 3.668 243 1HA GLY 49 1HA GLY 49 13.051 -2.717 5.546 244 2HA GLY 49 2HA GLY 49 11.580 -2.149 6.343 245 H CYS 50 H CYS 50 10.693 -3.433 3.307 246 HA CYS 50 HA CYS 50 9.187 -4.986 2.884 247 1HB CYS 50 1HB CYS 50 11.421 -5.557 2.180 248 2HB CYS 50 2HB CYS 50 11.754 -6.319 3.705 249 H GLY 51 H GLY 51 8.863 -4.271 5.657 250 1HA GLY 51 1HA GLY 51 6.866 -6.244 6.381 251 2HA GLY 51 2HA GLY 51 8.197 -6.369 7.464 Start of MODEL 19 1 H SER 10 H SER 10 -5.909 -1.322 5.887 2 HA SER 10 HA SER 10 -7.803 -3.283 6.919 3 1HB SER 10 1HB SER 10 -7.795 -0.425 7.994 4 2HB SER 10 2HB SER 10 -9.216 -1.481 8.049 5 HG SER 10 HG SER 10 -6.714 -2.305 9.101 6 H CYS 11 H CYS 11 -8.234 -3.715 4.925 7 HA CYS 11 HA CYS 11 -9.946 -2.011 3.306 8 1HB CYS 11 1HB CYS 11 -7.224 -1.859 3.059 9 2HB CYS 11 2HB CYS 11 -7.511 -3.217 2.011 10 HA PRO 12 HA PRO 12 -11.000 -6.401 2.218 11 1HB PRO 12 1HB PRO 12 -9.476 -6.650 -0.351 12 2HB PRO 12 2HB PRO 12 -11.209 -6.975 -0.055 13 1HG PRO 12 1HG PRO 12 -10.393 -4.762 -1.433 14 2HG PRO 12 2HG PRO 12 -11.780 -4.702 -0.299 15 1HD PRO 12 1HD PRO 12 -8.914 -3.876 0.203 16 2HD PRO 12 2HD PRO 12 -10.427 -3.000 0.586 17 HA PRO 13 HA PRO 13 -7.324 -8.581 3.524 18 1HB PRO 13 1HB PRO 13 -7.638 -11.188 2.762 19 2HB PRO 13 2HB PRO 13 -8.658 -10.432 4.028 20 1HG PRO 13 1HG PRO 13 -9.286 -10.772 1.085 21 2HG PRO 13 2HG PRO 13 -10.323 -11.203 2.486 22 1HD PRO 13 1HD PRO 13 -10.622 -8.863 1.130 23 2HD PRO 13 2HD PRO 13 -10.841 -8.925 2.907 24 H GLY 14 H GLY 14 -5.401 -9.181 2.945 25 1HA GLY 14 1HA GLY 14 -3.474 -9.091 1.716 26 2HA GLY 14 2HA GLY 14 -4.372 -9.699 0.327 27 H GLN 15 H GLN 15 -5.297 -6.577 1.821 28 HA GLN 15 HA GLN 15 -3.904 -5.040 -0.246 29 1HB GLN 15 1HB GLN 15 -6.840 -5.296 0.095 30 2HB GLN 15 2HB GLN 15 -6.216 -3.655 -0.129 31 1HG GLN 15 1HG GLN 15 -5.260 -4.123 -2.221 32 2HG GLN 15 2HG GLN 15 -5.251 -5.869 -1.950 33 1HE2 GLN 15 2HE2 GLN 15 -7.348 -6.982 -1.807 34 2HE2 GLN 15 1HE2 GLN 15 -8.569 -6.420 -2.946 35 H PHE 16 H PHE 16 -2.955 -3.401 0.565 36 HA PHE 16 HA PHE 16 -3.795 -2.166 3.197 37 1HB PHE 16 1HB PHE 16 -1.602 -2.032 3.998 38 2HB PHE 16 2HB PHE 16 -1.671 -3.638 3.308 39 HD1 PHE 16 HD1 PHE 16 0.089 -0.489 3.329 40 HD2 PHE 16 HD2 PHE 16 -0.830 -3.862 0.847 41 HE1 PHE 16 HE1 PHE 16 1.849 0.208 1.745 42 HE2 PHE 16 HE2 PHE 16 1.007 -3.253 -0.687 43 HZ PHE 16 HZ PHE 16 2.308 -1.230 -0.321 44 H ARG 17 H ARG 17 -3.056 0.127 3.516 45 HA ARG 17 HA ARG 17 -2.848 1.606 0.930 46 1HB ARG 17 1HB ARG 17 -3.730 3.533 2.023 47 2HB ARG 17 2HB ARG 17 -4.821 2.137 2.167 48 1HG ARG 17 1HG ARG 17 -4.073 1.813 4.527 49 2HG ARG 17 2HG ARG 17 -3.018 3.224 4.377 50 1HD ARG 17 1HD ARG 17 -5.097 3.835 5.524 51 2HD ARG 17 2HD ARG 17 -4.947 4.682 3.988 52 HE ARG 17 HE ARG 17 -6.849 3.625 3.196 53 1HH1 ARG 17 2HH1 ARG 17 -5.966 1.818 6.095 54 2HH1 ARG 17 1HH1 ARG 17 -7.405 0.822 5.912 55 1HH2 ARG 17 2HH2 ARG 17 -8.526 2.305 3.089 56 2HH2 ARG 17 1HH2 ARG 17 -8.729 1.020 4.284 57 H CYS 18 H CYS 18 -1.531 3.236 0.627 58 HA CYS 18 HA CYS 18 1.141 2.797 1.762 59 1HB CYS 18 1HB CYS 18 -0.035 3.983 -0.738 60 2HB CYS 18 2HB CYS 18 1.606 4.413 -0.270 61 H SER 19 H SER 19 0.211 5.762 0.451 62 HA SER 19 HA SER 19 1.550 7.192 2.702 63 1HB SER 19 1HB SER 19 1.529 7.920 -0.253 64 2HB SER 19 2HB SER 19 2.455 8.738 1.022 65 HG SER 19 HG SER 19 3.051 6.490 -0.357 66 H GLU 20 H GLU 20 -1.083 6.764 2.678 67 HA GLU 20 HA GLU 20 -2.072 9.485 3.312 68 1HB GLU 20 1HB GLU 20 -2.934 8.949 1.104 69 2HB GLU 20 2HB GLU 20 -3.671 7.467 1.710 70 1HG GLU 20 1HG GLU 20 -5.201 8.741 3.132 71 2HG GLU 20 2HG GLU 20 -4.350 10.244 2.763 72 HA PRO 21 HA PRO 21 -2.695 7.010 7.012 73 1HB PRO 21 1HB PRO 21 -3.649 8.943 8.721 74 2HB PRO 21 2HB PRO 21 -1.960 8.912 8.132 75 1HG PRO 21 1HG PRO 21 -4.299 10.496 7.010 76 2HG PRO 21 2HG PRO 21 -2.674 11.106 7.474 77 1HD PRO 21 1HD PRO 21 -3.257 10.461 4.900 78 2HD PRO 21 2HD PRO 21 -1.655 10.083 5.601 79 HA PRO 22 HA PRO 22 -7.007 5.859 7.316 80 1HB PRO 22 1HB PRO 22 -7.415 5.286 9.973 81 2HB PRO 22 2HB PRO 22 -6.446 4.258 8.873 82 1HG PRO 22 1HG PRO 22 -5.448 6.412 10.765 83 2HG PRO 22 2HG PRO 22 -4.882 4.720 10.602 84 1HD PRO 22 1HD PRO 22 -3.593 6.757 9.362 85 2HD PRO 22 2HD PRO 22 -3.808 5.190 8.531 86 H GLY 23 H GLY 23 -9.052 6.371 8.534 87 1HA GLY 23 1HA GLY 23 -10.719 7.982 8.917 88 2HA GLY 23 2HA GLY 23 -9.476 9.184 9.262 89 H ALA 24 H ALA 24 -8.256 8.252 6.546 90 HA ALA 24 HA ALA 24 -10.206 9.328 4.578 91 1HB ALA 24 1HB ALA 24 -8.518 11.063 4.991 92 2HB ALA 24 2HB ALA 24 -7.210 9.899 4.687 93 3HB ALA 24 3HB ALA 24 -8.309 10.368 3.372 94 H HIS 25 H HIS 25 -10.775 7.065 4.509 95 HA HIS 25 HA HIS 25 -9.170 4.898 4.396 96 1HB HIS 25 1HB HIS 25 -11.895 5.257 3.079 97 2HB HIS 25 2HB HIS 25 -11.171 3.735 3.554 98 HD1 HIS 25 HD1 HIS 25 -13.537 6.189 4.880 99 HD2 HIS 25 HD2 HIS 25 -10.477 3.691 6.404 100 HE1 HIS 25 HE1 HIS 25 -13.944 5.994 7.417 101 HE2 HIS 25 HE2 HIS 25 -12.094 4.463 8.340 102 H GLY 26 H GLY 26 -10.173 6.663 1.623 103 1HA GLY 26 1HA GLY 26 -9.360 6.816 -0.572 104 2HA GLY 26 2HA GLY 26 -7.830 6.356 0.175 105 H GLU 27 H GLU 27 -7.131 5.295 -1.590 106 HA GLU 27 HA GLU 27 -8.278 2.583 -2.185 107 1HB GLU 27 1HB GLU 27 -7.126 4.574 -4.204 108 2HB GLU 27 2HB GLU 27 -7.481 2.873 -4.534 109 1HG GLU 27 1HG GLU 27 -9.878 3.271 -3.996 110 2HG GLU 27 2HG GLU 27 -9.532 4.981 -3.727 111 H CYS 28 H CYS 28 -7.218 1.327 -1.263 112 HA CYS 28 HA CYS 28 -4.510 1.163 -0.582 113 1HB CYS 28 1HB CYS 28 -6.667 -0.912 -1.107 114 2HB CYS 28 2HB CYS 28 -5.300 -1.114 -0.094 115 H TYR 29 H TYR 29 -3.512 -1.092 -1.222 116 HA TYR 29 HA TYR 29 -3.482 -1.714 -4.087 117 1HB TYR 29 1HB TYR 29 -0.975 -0.941 -2.515 118 2HB TYR 29 2HB TYR 29 -0.962 -1.555 -4.147 119 HD1 TYR 29 HD1 TYR 29 -1.836 -0.040 -6.058 120 HD2 TYR 29 HD2 TYR 29 -1.260 1.351 -2.006 121 HE1 TYR 29 HE1 TYR 29 -1.905 2.296 -6.851 122 HE2 TYR 29 HE2 TYR 29 -1.339 3.709 -2.823 123 HH TYR 29 HH TYR 29 -1.798 4.507 -6.281 124 HA PRO 30 HA PRO 30 -3.068 -5.784 -2.408 125 1HB PRO 30 1HB PRO 30 -0.913 -6.436 -4.352 126 2HB PRO 30 2HB PRO 30 -2.465 -7.273 -4.067 127 1HG PRO 30 1HG PRO 30 -2.082 -5.712 -6.286 128 2HG PRO 30 2HG PRO 30 -3.648 -5.697 -5.409 129 1HD PRO 30 1HD PRO 30 -1.358 -3.729 -5.193 130 2HD PRO 30 2HD PRO 30 -3.105 -3.401 -5.365 131 H GLN 31 H GLN 31 -1.829 -6.923 -0.969 132 HA GLN 31 HA GLN 31 0.780 -5.830 -0.090 133 1HB GLN 31 1HB GLN 31 -0.801 -8.297 0.812 134 2HB GLN 31 2HB GLN 31 0.691 -7.743 1.571 135 1HG GLN 31 1HG GLN 31 -0.343 -5.675 2.296 136 2HG GLN 31 2HG GLN 31 -1.837 -6.053 1.434 137 1HE2 GLN 31 1HE2 GLN 31 -3.152 -5.963 3.400 138 2HE2 GLN 31 2HE2 GLN 31 -2.972 -7.240 4.591 139 H ASP 32 H ASP 32 -0.108 -7.802 -2.583 140 HA ASP 32 HA ASP 32 2.357 -9.263 -2.915 141 1HB ASP 32 1HB ASP 32 0.085 -9.383 -4.223 142 2HB ASP 32 2HB ASP 32 0.630 -7.967 -5.072 143 H TRP 33 H TRP 33 1.245 -6.090 -3.389 144 HA TRP 33 HA TRP 33 3.838 -4.979 -4.201 145 1HB TRP 33 1HB TRP 33 1.247 -3.481 -3.951 146 2HB TRP 33 2HB TRP 33 2.746 -2.938 -4.650 147 HD1 TRP 33 HD1 TRP 33 2.055 -6.271 -6.121 148 HE1 TRP 33 HE1 TRP 33 0.810 -6.109 -8.347 149 HE3 TRP 33 HE3 TRP 33 0.873 -1.286 -6.026 150 HZ2 TRP 33 HZ2 TRP 33 -0.665 -4.130 -9.823 151 HZ3 TRP 33 HZ3 TRP 33 -0.443 -0.285 -7.889 152 HH2 TRP 33 HH2 TRP 33 -1.272 -1.703 -9.745 153 H LEU 34 H LEU 34 3.687 -6.103 -1.893 154 HA LEU 34 HA LEU 34 4.816 -3.919 -0.229 155 1HB LEU 34 1HB LEU 34 2.562 -4.695 0.715 156 2HB LEU 34 2HB LEU 34 3.276 -6.277 0.937 157 HG LEU 34 HG LEU 34 5.074 -5.133 2.383 158 1HD1 LEU 34 1HD1 LEU 34 4.503 -2.994 3.387 159 2HD1 LEU 34 2HD1 LEU 34 4.563 -2.792 1.630 160 3HD1 LEU 34 3HD1 LEU 34 2.997 -2.910 2.448 161 1HD2 LEU 34 1HD2 LEU 34 2.161 -5.040 3.300 162 2HD2 LEU 34 2HD2 LEU 34 3.216 -6.472 3.327 163 3HD2 LEU 34 3HD2 LEU 34 3.588 -5.084 4.361 164 H CYS 35 H CYS 35 6.919 -4.277 -0.485 165 HA CYS 35 HA CYS 35 8.843 -5.083 -1.129 166 1HB CYS 35 1HB CYS 35 8.951 -5.725 0.980 167 2HB CYS 35 2HB CYS 35 8.057 -7.212 0.789 168 H ASP 36 H ASP 36 7.714 -5.078 -3.187 169 HA ASP 36 HA ASP 36 7.285 -7.727 -4.521 170 1HB ASP 36 1HB ASP 36 5.743 -5.801 -4.985 171 2HB ASP 36 2HB ASP 36 7.102 -4.916 -5.660 172 H GLY 37 H GLY 37 9.749 -5.458 -3.838 173 1HA GLY 37 1HA GLY 37 12.061 -5.591 -4.426 174 2HA GLY 37 2HA GLY 37 11.646 -6.611 -5.817 175 H HIS 38 H HIS 38 9.551 -4.182 -5.540 176 HA HIS 38 HA HIS 38 10.748 -2.169 -7.317 177 1HB HIS 38 1HB HIS 38 9.891 -3.741 -8.876 178 2HB HIS 38 2HB HIS 38 8.478 -4.084 -7.915 179 HD1 HIS 38 HD1 HIS 38 9.684 -1.186 -10.219 180 HD2 HIS 38 HD2 HIS 38 6.382 -2.604 -8.012 181 HE1 HIS 38 HE1 HIS 38 7.706 0.397 -10.734 182 HE2 HIS 38 HE2 HIS 38 5.673 -0.515 -9.416 183 HA PRO 39 HA PRO 39 8.123 -0.031 -4.262 184 1HB PRO 39 1HB PRO 39 8.519 2.560 -5.228 185 2HB PRO 39 2HB PRO 39 9.386 1.721 -3.939 186 1HG PRO 39 1HG PRO 39 10.420 2.422 -6.587 187 2HG PRO 39 2HG PRO 39 11.283 1.623 -5.242 188 1HD PRO 39 1HD PRO 39 10.070 0.432 -7.656 189 2HD PRO 39 2HD PRO 39 11.250 -0.282 -6.533 190 H ASP 40 H ASP 40 6.101 0.972 -4.279 191 HA ASP 40 HA ASP 40 5.073 2.137 -6.805 192 1HB ASP 40 1HB ASP 40 4.517 -0.560 -6.362 193 2HB ASP 40 2HB ASP 40 3.090 0.222 -5.711 194 H CYS 41 H CYS 41 5.541 2.491 -3.633 195 HA CYS 41 HA CYS 41 2.886 2.937 -2.784 196 1HB CYS 41 1HB CYS 41 5.312 2.630 -1.509 197 2HB CYS 41 2HB CYS 41 4.632 4.112 -0.880 198 H ASP 42 H ASP 42 3.781 4.732 -4.792 199 HA ASP 42 HA ASP 42 4.430 6.774 -5.465 200 1HB ASP 42 1HB ASP 42 1.946 7.109 -5.104 201 2HB ASP 42 2HB ASP 42 2.323 7.867 -3.559 202 H ASP 43 H ASP 43 5.114 5.998 -2.459 203 HA ASP 43 HA ASP 43 7.387 7.854 -2.387 204 1HB ASP 43 1HB ASP 43 5.550 8.028 -0.541 205 2HB ASP 43 2HB ASP 43 6.307 6.572 0.073 206 H GLY 44 H GLY 44 6.475 4.867 -3.019 207 1HA GLY 44 1HA GLY 44 7.616 2.753 -3.133 208 2HA GLY 44 2HA GLY 44 9.111 3.609 -2.816 209 H ARG 45 H ARG 45 6.541 3.731 -0.588 210 HA ARG 45 HA ARG 45 8.324 2.615 1.530 211 1HB ARG 45 1HB ARG 45 6.969 3.569 3.212 212 2HB ARG 45 2HB ARG 45 7.342 4.816 2.030 213 1HG ARG 45 1HG ARG 45 5.073 4.703 1.120 214 2HG ARG 45 2HG ARG 45 4.699 3.298 2.133 215 1HD ARG 45 1HD ARG 45 3.700 5.270 3.092 216 2HD ARG 45 2HD ARG 45 4.982 4.665 4.155 217 HE ARG 45 HE ARG 45 5.884 6.743 2.298 218 1HH1 ARG 45 2HH1 ARG 45 4.273 6.390 5.385 219 2HH1 ARG 45 1HH1 ARG 45 4.822 7.954 5.935 220 1HH2 ARG 45 2HH2 ARG 45 6.596 8.609 3.046 221 2HH2 ARG 45 1HH2 ARG 45 6.099 9.217 4.622 222 H ASP 46 H ASP 46 6.523 1.221 -0.665 223 HA ASP 46 HA ASP 46 5.265 -0.724 1.030 224 1HB ASP 46 1HB ASP 46 4.902 -1.880 -1.099 225 2HB ASP 46 2HB ASP 46 4.158 -0.290 -1.109 226 H GLU 47 H GLU 47 8.175 -0.013 -0.728 227 HA GLU 47 HA GLU 47 9.234 -2.695 -0.555 228 1HB GLU 47 1HB GLU 47 10.427 0.016 -1.199 229 2HB GLU 47 2HB GLU 47 11.404 -1.435 -1.202 230 1HG GLU 47 1HG GLU 47 8.822 -1.362 -2.776 231 2HG GLU 47 2HG GLU 47 10.273 -0.600 -3.391 232 H TRP 48 H TRP 48 9.356 0.139 1.329 233 HA TRP 48 HA TRP 48 11.839 -0.076 2.528 234 1HB TRP 48 1HB TRP 48 9.419 1.301 3.696 235 2HB TRP 48 2HB TRP 48 11.077 1.499 4.235 236 HD1 TRP 48 HD1 TRP 48 11.288 1.564 0.562 237 HE1 TRP 48 HE1 TRP 48 10.933 3.884 -0.395 238 HE3 TRP 48 HE3 TRP 48 9.795 3.837 4.802 239 HZ2 TRP 48 HZ2 TRP 48 10.261 6.586 0.667 240 HZ3 TRP 48 HZ3 TRP 48 9.322 6.329 4.866 241 HH2 TRP 48 HH2 TRP 48 9.571 7.676 2.795 242 H GLY 49 H GLY 49 12.566 -1.501 3.518 243 1HA GLY 49 1HA GLY 49 13.228 -2.846 5.358 244 2HA GLY 49 2HA GLY 49 11.783 -2.301 6.215 245 H CYS 50 H CYS 50 10.776 -3.548 3.206 246 HA CYS 50 HA CYS 50 9.246 -5.133 2.843 247 1HB CYS 50 1HB CYS 50 11.469 -5.640 2.011 248 2HB CYS 50 2HB CYS 50 11.883 -6.431 3.500 249 H GLY 51 H GLY 51 9.034 -4.440 5.597 250 1HA GLY 51 1HA GLY 51 8.107 -6.960 6.968 251 2HA GLY 51 2HA GLY 51 8.620 -5.489 7.784 Start of MODEL 20 1 H SER 10 H SER 10 -5.834 -0.830 5.868 2 HA SER 10 HA SER 10 -7.481 -2.947 7.044 3 1HB SER 10 1HB SER 10 -7.902 -0.010 7.794 4 2HB SER 10 2HB SER 10 -9.020 -1.328 8.168 5 HG SER 10 HG SER 10 -7.773 -1.952 9.770 6 H CYS 11 H CYS 11 -7.896 -3.571 5.085 7 HA CYS 11 HA CYS 11 -9.797 -2.168 3.391 8 1HB CYS 11 1HB CYS 11 -7.094 -1.794 3.066 9 2HB CYS 11 2HB CYS 11 -7.304 -3.240 2.113 10 HA PRO 12 HA PRO 12 -10.806 -6.473 2.707 11 1HB PRO 12 1HB PRO 12 -9.865 -6.787 -0.134 12 2HB PRO 12 2HB PRO 12 -11.500 -7.070 0.530 13 1HG PRO 12 1HG PRO 12 -10.936 -4.871 -0.996 14 2HG PRO 12 2HG PRO 12 -12.040 -4.771 0.414 15 1HD PRO 12 1HD PRO 12 -9.099 -4.054 0.284 16 2HD PRO 12 2HD PRO 12 -10.456 -3.116 0.970 17 HA PRO 13 HA PRO 13 -7.239 -8.976 3.415 18 1HB PRO 13 2HB PRO 13 -8.457 -11.120 1.631 19 2HB PRO 13 1HB PRO 13 -7.697 -11.313 3.246 20 1HG PRO 13 2HG PRO 13 -10.384 -11.251 3.051 21 2HG PRO 13 1HG PRO 13 -9.561 -10.284 4.325 22 1HD PRO 13 2HD PRO 13 -10.639 -9.332 1.653 23 2HD PRO 13 1HD PRO 13 -10.810 -8.592 3.277 24 H GLY 14 H GLY 14 -5.359 -9.341 2.777 25 1HA GLY 14 1HA GLY 14 -3.437 -9.219 1.535 26 2HA GLY 14 2HA GLY 14 -4.345 -9.786 0.137 27 H GLN 15 H GLN 15 -5.350 -6.723 1.677 28 HA GLN 15 HA GLN 15 -3.877 -5.131 -0.306 29 1HB GLN 15 1HB GLN 15 -6.837 -5.197 0.111 30 2HB GLN 15 2HB GLN 15 -6.054 -3.670 -0.294 31 1HG GLN 15 1HG GLN 15 -5.396 -4.343 -2.396 32 2HG GLN 15 2HG GLN 15 -5.254 -6.042 -1.949 33 1HE2 GLN 15 1HE2 GLN 15 -7.379 -7.165 -1.336 34 2HE2 GLN 15 2HE2 GLN 15 -8.609 -6.884 -2.565 35 H PHE 16 H PHE 16 -3.015 -3.457 0.493 36 HA PHE 16 HA PHE 16 -3.841 -2.264 3.145 37 1HB PHE 16 1HB PHE 16 -1.643 -2.072 3.934 38 2HB PHE 16 2HB PHE 16 -1.680 -3.681 3.253 39 HD1 PHE 16 HD1 PHE 16 -0.848 -3.885 0.785 40 HD2 PHE 16 HD2 PHE 16 0.040 -0.518 3.283 41 HE1 PHE 16 HE1 PHE 16 0.992 -3.259 -0.742 42 HE2 PHE 16 HE2 PHE 16 1.814 0.187 1.712 43 HZ PHE 16 HZ PHE 16 2.286 -1.233 -0.352 44 H ARG 17 H ARG 17 -3.130 0.075 3.439 45 HA ARG 17 HA ARG 17 -2.911 1.506 0.828 46 1HB ARG 17 1HB ARG 17 -3.817 3.448 1.849 47 2HB ARG 17 2HB ARG 17 -4.903 2.052 2.040 48 1HG ARG 17 1HG ARG 17 -4.198 1.822 4.410 49 2HG ARG 17 2HG ARG 17 -3.109 3.202 4.223 50 1HD ARG 17 1HD ARG 17 -5.183 3.909 5.318 51 2HD ARG 17 2HD ARG 17 -4.990 4.692 3.753 52 HE ARG 17 HE ARG 17 -6.916 3.670 2.982 53 1HH1 ARG 17 2HH2 ARG 17 -6.116 1.957 5.956 54 2HH1 ARG 17 1HH2 ARG 17 -7.561 0.963 5.769 55 1HH2 ARG 17 1HH1 ARG 17 -8.621 2.372 2.895 56 2HH2 ARG 17 2HH1 ARG 17 -8.855 1.123 4.119 57 H CYS 18 H CYS 18 -1.570 3.115 0.505 58 HA CYS 18 HA CYS 18 1.079 2.685 1.681 59 1HB CYS 18 1HB CYS 18 -0.063 3.932 -0.808 60 2HB CYS 18 2HB CYS 18 1.577 4.334 -0.311 61 H SER 19 H SER 19 0.169 5.664 0.401 62 HA SER 19 HA SER 19 1.528 7.050 2.665 63 1HB SER 19 1HB SER 19 1.483 7.826 -0.276 64 2HB SER 19 2HB SER 19 2.438 8.608 1.000 65 HG SER 19 HG SER 19 2.993 6.389 -0.429 66 H GLU 20 H GLU 20 -1.110 6.659 2.661 67 HA GLU 20 HA GLU 20 -2.061 9.390 3.330 68 1HB GLU 20 1HB GLU 20 -2.949 8.885 1.133 69 2HB GLU 20 2HB GLU 20 -3.698 7.405 1.727 70 1HG GLU 20 1HG GLU 20 -5.216 8.660 3.154 71 2HG GLU 20 2HG GLU 20 -4.327 10.157 2.868 72 HA PRO 21 HA PRO 21 -2.628 6.848 6.990 73 1HB PRO 21 1HB PRO 21 -3.346 8.774 8.808 74 2HB PRO 21 2HB PRO 21 -1.706 8.674 8.103 75 1HG PRO 21 1HG PRO 21 -4.027 10.405 7.173 76 2HG PRO 21 2HG PRO 21 -2.352 10.924 7.558 77 1HD PRO 21 1HD PRO 21 -3.106 10.382 5.004 78 2HD PRO 21 2HD PRO 21 -1.489 9.906 5.604 79 HA PRO 22 HA PRO 22 -6.923 5.809 7.702 80 1HB PRO 22 1HB PRO 22 -6.410 6.319 10.639 81 2HB PRO 22 2HB PRO 22 -7.261 4.940 9.867 82 1HG PRO 22 1HG PRO 22 -4.733 4.656 10.682 83 2HG PRO 22 2HG PRO 22 -5.205 4.030 9.066 84 1HD PRO 22 1HD PRO 22 -3.775 6.621 9.731 85 2HD PRO 22 2HD PRO 22 -3.405 5.424 8.451 86 H GLY 23 H GLY 23 -8.913 6.506 8.785 87 1HA GLY 23 1HA GLY 23 -10.630 8.090 8.999 88 2HA GLY 23 2HA GLY 23 -9.419 9.330 9.321 89 H ALA 24 H ALA 24 -8.242 8.259 6.595 90 HA ALA 24 HA ALA 24 -10.162 9.412 4.642 91 1HB ALA 24 1HB ALA 24 -8.462 11.123 5.100 92 2HB ALA 24 2HB ALA 24 -7.162 9.957 4.770 93 3HB ALA 24 3HB ALA 24 -8.256 10.466 3.465 94 H HIS 25 H HIS 25 -10.753 7.163 4.493 95 HA HIS 25 HA HIS 25 -9.147 4.983 4.293 96 1HB HIS 25 1HB HIS 25 -11.895 5.440 3.054 97 2HB HIS 25 2HB HIS 25 -11.175 3.882 3.389 98 HD1 HIS 25 HD1 HIS 25 -13.512 6.198 4.957 99 HD2 HIS 25 HD2 HIS 25 -10.370 3.660 6.223 100 HE1 HIS 25 HE1 HIS 25 -13.844 5.824 7.483 101 HE2 HIS 25 HE2 HIS 25 -11.942 4.270 8.251 102 H GLY 26 H GLY 26 -10.111 6.908 1.624 103 1HA GLY 26 1HA GLY 26 -9.344 7.091 -0.603 104 2HA GLY 26 2HA GLY 26 -7.821 6.533 0.087 105 H GLU 27 H GLU 27 -7.073 5.222 -1.411 106 HA GLU 27 HA GLU 27 -8.424 2.660 -1.963 107 1HB GLU 27 1HB GLU 27 -9.020 4.198 -3.889 108 2HB GLU 27 2HB GLU 27 -7.300 4.446 -4.184 109 1HG GLU 27 1HG GLU 27 -8.131 2.844 -5.765 110 2HG GLU 27 2HG GLU 27 -7.047 2.007 -4.668 111 H CYS 28 H CYS 28 -7.349 1.194 -1.563 112 HA CYS 28 HA CYS 28 -4.646 1.152 -0.670 113 1HB CYS 28 1HB CYS 28 -6.774 -0.953 -1.213 114 2HB CYS 28 2HB CYS 28 -5.419 -1.141 -0.174 115 H TYR 29 H TYR 29 -3.635 -1.162 -1.289 116 HA TYR 29 HA TYR 29 -3.535 -1.741 -4.156 117 1HB TYR 29 1HB TYR 29 -1.066 -0.981 -2.519 118 2HB TYR 29 2HB TYR 29 -1.012 -1.576 -4.157 119 HD1 TYR 29 HD1 TYR 29 -1.351 1.300 -1.988 120 HD2 TYR 29 HD2 TYR 29 -1.859 -0.033 -6.067 121 HE1 TYR 29 HE1 TYR 29 -1.420 3.671 -2.774 122 HE2 TYR 29 HE2 TYR 29 -1.911 2.314 -6.830 123 HH TYR 29 HH TYR 29 -1.809 4.517 -6.228 124 HA PRO 30 HA PRO 30 -3.107 -5.832 -2.474 125 1HB PRO 30 1HB PRO 30 -0.978 -6.426 -4.471 126 2HB PRO 30 2HB PRO 30 -2.491 -7.315 -4.135 127 1HG PRO 30 1HG PRO 30 -2.274 -5.760 -6.363 128 2HG PRO 30 2HG PRO 30 -3.785 -5.741 -5.387 129 1HD PRO 30 1HD PRO 30 -1.470 -3.779 -5.289 130 2HD PRO 30 2HD PRO 30 -3.217 -3.437 -5.423 131 H GLN 31 H GLN 31 -1.814 -6.975 -1.070 132 HA GLN 31 HA GLN 31 0.763 -5.836 -0.180 133 1HB GLN 31 1HB GLN 31 -0.780 -8.340 0.683 134 2HB GLN 31 2HB GLN 31 0.697 -7.768 1.461 135 1HG GLN 31 1HG GLN 31 -0.385 -5.728 2.204 136 2HG GLN 31 2HG GLN 31 -1.864 -6.126 1.328 137 1HE2 GLN 31 2HE2 GLN 31 -3.187 -6.073 3.304 138 2HE2 GLN 31 1HE2 GLN 31 -2.985 -7.366 4.474 139 H ASP 32 H ASP 32 -0.098 -7.785 -2.698 140 HA ASP 32 HA ASP 32 2.366 -9.238 -3.048 141 1HB ASP 32 1HB ASP 32 0.100 -9.340 -4.363 142 2HB ASP 32 2HB ASP 32 0.635 -7.901 -5.178 143 H TRP 33 H TRP 33 1.253 -6.058 -3.482 144 HA TRP 33 HA TRP 33 3.858 -4.935 -4.247 145 1HB TRP 33 1HB TRP 33 1.263 -3.440 -3.997 146 2HB TRP 33 2HB TRP 33 2.768 -2.889 -4.681 147 HD1 TRP 33 HD1 TRP 33 2.116 -6.191 -6.210 148 HE1 TRP 33 HE1 TRP 33 0.849 -6.016 -8.424 149 HE3 TRP 33 HE3 TRP 33 0.890 -1.220 -6.045 150 HZ2 TRP 33 HZ2 TRP 33 -0.676 -4.037 -9.851 151 HZ3 TRP 33 HZ3 TRP 33 -0.460 -0.211 -7.881 152 HH2 TRP 33 HH2 TRP 33 -1.312 -1.619 -9.733 153 H LEU 34 H LEU 34 3.681 -6.093 -1.958 154 HA LEU 34 HA LEU 34 4.794 -3.927 -0.259 155 1HB LEU 34 1HB LEU 34 2.536 -4.711 0.663 156 2HB LEU 34 2HB LEU 34 3.249 -6.296 0.878 157 HG LEU 34 HG LEU 34 5.031 -5.172 2.351 158 1HD1 LEU 34 1HD1 LEU 34 4.457 -3.035 3.367 159 2HD1 LEU 34 2HD1 LEU 34 4.551 -2.822 1.614 160 3HD1 LEU 34 3HD1 LEU 34 2.970 -2.933 2.399 161 1HD2 LEU 34 1HD2 LEU 34 3.164 -6.502 3.276 162 2HD2 LEU 34 2HD2 LEU 34 3.517 -5.111 4.314 163 3HD2 LEU 34 3HD2 LEU 34 2.109 -5.071 3.232 164 H CYS 35 H CYS 35 6.893 -4.276 -0.514 165 HA CYS 35 HA CYS 35 8.836 -5.077 -1.117 166 1HB CYS 35 1HB CYS 35 8.885 -5.740 0.990 167 2HB CYS 35 2HB CYS 35 7.999 -7.223 0.762 168 H ASP 36 H ASP 36 7.730 -5.051 -3.201 169 HA ASP 36 HA ASP 36 7.314 -7.688 -4.560 170 1HB ASP 36 1HB ASP 36 5.789 -5.751 -5.032 171 2HB ASP 36 2HB ASP 36 7.164 -4.866 -5.677 172 H GLY 37 H GLY 37 9.781 -5.445 -3.817 173 1HA GLY 37 1HA GLY 37 12.101 -5.591 -4.359 174 2HA GLY 37 2HA GLY 37 11.707 -6.599 -5.766 175 H HIS 38 H HIS 38 9.621 -4.164 -5.524 176 HA HIS 38 HA HIS 38 10.873 -2.137 -7.249 177 1HB HIS 38 1HB HIS 38 10.050 -3.689 -8.846 178 2HB HIS 38 2HB HIS 38 8.611 -4.034 -7.926 179 HD1 HIS 38 HD1 HIS 38 9.895 -1.114 -10.160 180 HD2 HIS 38 HD2 HIS 38 6.522 -2.548 -8.070 181 HE1 HIS 38 HE1 HIS 38 7.938 0.483 -10.714 182 HE2 HIS 38 HE2 HIS 38 5.866 -0.433 -9.465 183 HA PRO 39 HA PRO 39 8.173 -0.030 -4.236 184 1HB PRO 39 1HB PRO 39 8.625 2.571 -5.178 185 2HB PRO 39 2HB PRO 39 9.402 1.723 -3.838 186 1HG PRO 39 1HG PRO 39 10.646 2.441 -6.368 187 2HG PRO 39 2HG PRO 39 11.369 1.537 -5.007 188 1HD PRO 39 1HD PRO 39 10.215 0.512 -7.543 189 2HD PRO 39 2HD PRO 39 11.365 -0.274 -6.436 190 H ASP 40 H ASP 40 6.155 0.966 -4.300 191 HA ASP 40 HA ASP 40 5.179 2.146 -6.841 192 1HB ASP 40 1HB ASP 40 4.666 -0.558 -6.459 193 2HB ASP 40 2HB ASP 40 3.215 0.173 -5.802 194 H CYS 41 H CYS 41 5.560 2.474 -3.655 195 HA CYS 41 HA CYS 41 2.880 2.885 -2.862 196 1HB CYS 41 1HB CYS 41 5.292 2.630 -1.532 197 2HB CYS 41 2HB CYS 41 4.540 4.079 -0.907 198 H ASP 42 H ASP 42 3.806 4.699 -4.846 199 HA ASP 42 HA ASP 42 4.438 6.755 -5.491 200 1HB ASP 42 1HB ASP 42 1.944 7.053 -5.194 201 2HB ASP 42 2HB ASP 42 2.266 7.800 -3.631 202 H ASP 43 H ASP 43 5.063 5.970 -2.475 203 HA ASP 43 HA ASP 43 7.310 7.854 -2.344 204 1HB ASP 43 1HB ASP 43 5.440 7.998 -0.532 205 2HB ASP 43 2HB ASP 43 6.195 6.543 0.084 206 H GLY 44 H GLY 44 6.448 4.859 -3.011 207 1HA GLY 44 1HA GLY 44 7.619 2.761 -3.115 208 2HA GLY 44 2HA GLY 44 9.096 3.634 -2.764 209 H ARG 45 H ARG 45 6.485 3.709 -0.585 210 HA ARG 45 HA ARG 45 8.241 2.593 1.558 211 1HB ARG 45 1HB ARG 45 6.840 3.531 3.222 212 2HB ARG 45 2HB ARG 45 7.239 4.786 2.059 213 1HG ARG 45 1HG ARG 45 4.997 4.673 1.088 214 2HG ARG 45 2HG ARG 45 4.599 3.260 2.081 215 1HD ARG 45 1HD ARG 45 3.565 5.204 3.035 216 2HD ARG 45 2HD ARG 45 4.838 4.626 4.123 217 HE ARG 45 HE ARG 45 5.797 6.703 2.317 218 1HH1 ARG 45 1HH2 ARG 45 3.902 6.395 5.243 219 2HH1 ARG 45 2HH2 ARG 45 4.327 8.003 5.774 220 1HH2 ARG 45 2HH1 ARG 45 6.343 8.623 3.039 221 2HH2 ARG 45 1HH1 ARG 45 5.679 9.271 4.537 222 H ASP 46 H ASP 46 6.496 1.201 -0.677 223 HA ASP 46 HA ASP 46 5.221 -0.765 0.980 224 1HB ASP 46 1HB ASP 46 4.947 -1.925 -1.168 225 2HB ASP 46 2HB ASP 46 4.146 -0.360 -1.172 226 H GLU 47 H GLU 47 8.160 -0.020 -0.717 227 HA GLU 47 HA GLU 47 9.235 -2.693 -0.526 228 1HB GLU 47 1HB GLU 47 10.421 0.028 -1.132 229 2HB GLU 47 2HB GLU 47 11.410 -1.416 -1.120 230 1HG GLU 47 1HG GLU 47 8.861 -1.352 -2.748 231 2HG GLU 47 2HG GLU 47 10.323 -0.583 -3.330 232 H TRP 48 H TRP 48 9.294 0.131 1.376 233 HA TRP 48 HA TRP 48 11.740 -0.083 2.658 234 1HB TRP 48 1HB TRP 48 9.278 1.280 3.750 235 2HB TRP 48 2HB TRP 48 10.918 1.486 4.339 236 HD1 TRP 48 HD1 TRP 48 11.230 1.562 0.670 237 HE1 TRP 48 HE1 TRP 48 10.881 3.877 -0.292 238 HE3 TRP 48 HE3 TRP 48 9.610 3.817 4.875 239 HZ2 TRP 48 HZ2 TRP 48 10.144 6.572 0.754 240 HZ3 TRP 48 HZ3 TRP 48 9.112 6.303 4.930 241 HH2 TRP 48 HH2 TRP 48 9.395 7.653 2.863 242 H GLY 49 H GLY 49 12.428 -1.514 3.680 243 1HA GLY 49 1HA GLY 49 13.007 -2.877 5.538 244 2HA GLY 49 2HA GLY 49 11.530 -2.325 6.338 245 H CYS 50 H CYS 50 10.665 -3.561 3.271 246 HA CYS 50 HA CYS 50 9.136 -5.123 2.843 247 1HB CYS 50 1HB CYS 50 11.379 -5.657 2.101 248 2HB CYS 50 2HB CYS 50 11.729 -6.454 3.606 249 H GLY 51 H GLY 51 8.736 -4.406 5.526 250 1HA GLY 51 1HA GLY 51 6.758 -6.257 6.423 251 2HA GLY 51 2HA GLY 51 8.239 -6.601 7.317
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